smiles zinc_id inchikey mwt logp reactive purchasable tranche_name features CCN(CC)c1nc2nonc2nc1Nc1cccc(C)c1C 64886 DNZAGMAOPKUANM-UHFFFAOYSA-N 312.377 3.219 0 40 DGAB CCOc1c(Br)cc(C=O)cc1Br 269255 XBXQIQJDJBMXJQ-UHFFFAOYSA-N 307.969 3.423 0 40 DGAB CCCC(=O)NC(=S)Nc1ccc(N(CC)CC)cc1C 568408 LXCNEEDDOVVVLG-UHFFFAOYSA-N 307.463 3.454 0 40 DGAB CCOC(=O)C[C@H](C)SCc1noc(-c2ccsc2)n1 79359030 LMKUCDOHZCPPTH-VIFPVBQESA-N 312.416 3.373 0 40 DGAB C[C@@H](CNC(=O)c1cc2ccccc2s1)CN1CCCC1 55539305 JDSNUNMIWRDIKY-ZDUSSCGKSA-N 302.443 3.363 0 40 DGAB CC(C)CN(C(=S)N[C@H]1C[C@H]2CC[C@H]1C2)C1CCN(C)CC1 107340049 UQTHSVQZUDQCTF-ZOBUZTSGSA-N 323.550 3.102 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1 6316471 BNKCFLWMVRZEIK-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCCC2)cc1Cl 7026931 IQZQBFCKBDJDMH-UHFFFAOYSA-N 311.882 3.421 0 40 DGAB Cc1noc(C)c1NC(=O)Cc1ccc(OC(F)(F)F)cc1 58178523 VUFOUTLWENKDHA-UHFFFAOYSA-N 314.263 3.371 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(F)c(C)c2)c1 10675892 GHZAFAOCFYSYRJ-UHFFFAOYSA-N 307.390 3.229 0 40 DGAB C[C@H]1CCCN(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)C1 58176316 UZPWFZXHYBVLCY-QWHCGFSZSA-N 322.430 3.060 0 40 DGAB Cc1cccnc1NC(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 97378326 FOOZRSRFDBWNFY-HOTGVXAUSA-N 311.385 3.432 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)NCc1ccccc1-n1cccn1 84659072 ISXDPTGCTZYAGZ-HNNXBMFYSA-N 307.397 3.299 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)NCc1nc(C)cs1 44967444 QSGZNFGREWEADA-JTQLQIEISA-N 323.393 3.160 0 40 DGAB CC(C)OCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58306824 GRMBMOXNCNWKBR-AWEZNQCLSA-N 324.852 3.098 0 40 DGAB C[C@H](CNC(=O)c1nccc2ccccc12)N(C)c1ccccc1 58365490 NYAJXOAIIQDYQN-OAHLLOKOSA-N 319.408 3.490 0 40 DGAB CCc1nc(N)sc1-c1nc(-c2ccc(OC)cc2)no1 22121358 LNVIEOVXLSHOMI-UHFFFAOYSA-N 302.359 3.013 0 40 DGAB CSc1ccccc1NC(=O)c1cccc(S(C)(=O)=O)c1 10511909 QDUNSMAJYANEMD-UHFFFAOYSA-N 321.423 3.064 0 40 DGAB C[C@H]1CCC[C@@H](Cn2c(CS(C)(=O)=O)nc3ccccc32)C1 96005597 MFPDTEDPALZHKV-UONOGXRCSA-N 320.458 3.407 0 40 DGAB CCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCCCC1 11614194 VQQULGOJNWTRQD-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB CSCC[C@H](NC(=O)[C@H]1C[C@@H]1C)c1nc2ccccc2[nH]1 12541256 RRERVISQDPCGNN-MJVIPROJSA-N 303.431 3.129 0 40 DGAB O=C(NCc1ccccc1)NCc1cccc(NC(=O)C2CC2)c1 12752071 KHDJWBRRKZLBDF-UHFFFAOYSA-N 323.396 3.035 0 40 DGAB Cc1cc(C)n2nc(SCCOc3ccccc3F)nc2n1 3456132 LXFKIZXPJYJQCK-UHFFFAOYSA-N 318.377 3.051 0 40 DGAB CSc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1 170664132 QVZDCPWZDPQMLL-UHFFFAOYSA-N 311.403 3.373 0 40 DGAB COc1ccc(N)cc1NC(=O)c1ccccc1OC(C)C 19736239 ZLAMXLVWPUUMDI-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2ccc(Br)o2)c1 9314895 SKQWSKWYKKMLEW-UHFFFAOYSA-N 323.146 3.253 0 40 DGAB CCS[C@H]1CC[C@]1(O)CNCc1cc(F)cc2cccnc12 95415532 MURDABJJTHXTMO-RDJZCZTQSA-N 320.433 3.110 0 40 DGAB O=C(NCc1noc(-c2ccccc2)n1)c1cc2ccccc2o1 9419798 CKYBSUAWVXCHLY-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB COc1ccc(-c2nc3cc(C)ccc3[nH]2)c(C(=O)O)c1OC 5285964 VZOKZMHGOODULS-UHFFFAOYSA-N 312.325 3.254 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C1CC1 9477544 IIZSSCOQHSJKAO-CYBMUJFWSA-N 320.396 3.008 0 40 DGAB Cc1ccc(-c2cc(CN3C(=O)[C@@H]4CC=CC[C@H]4C3=O)on2)cc1 65567340 JUYVAOXFYHHUFZ-HZPDHXFCSA-N 322.364 3.101 0 40 DGAB CN(C)C(=O)CSc1nc(-c2ccco2)nc2ccccc12 14108698 VKWNIVIWKNZPFI-UHFFFAOYSA-N 313.382 3.070 0 40 DGAB CCCCOC(=O)c1ccc(NC(=S)NC(=O)C(C)C)cc1 21596348 XVYAROWSYIRLFC-UHFFFAOYSA-N 322.430 3.113 0 40 DGAB COc1ccc2cnn(-c3ccccc3Cl)c(=O)c2c1OC 14201903 XWIKZDDTUCZBEN-UHFFFAOYSA-N 316.744 3.056 0 40 DGAB CCn1cc(C(=O)Nc2cccc(OC)c2)c(=O)c2ccccc21 408713033 HGAPKWJJWYZFEE-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB Clc1ccc(-n2nnnc2SCCc2ccncc2)cc1 7033031 RJDMPOCBBUZHTB-UHFFFAOYSA-N 317.805 3.046 0 40 DGAB Cc1noc(C)c1NC(=O)NCc1nc(C(C)(C)C)cs1 71857067 FCZABHIKSQVHSF-UHFFFAOYSA-N 308.407 3.367 0 40 DGAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccco1 7338820 IUAMTPKSWUCVBT-UHFFFAOYSA-N 304.689 3.340 0 40 DGAB Clc1ccccc1COc1ccc(CNc2nnn[nH]2)cc1 22111589 ALOSSRJHWJABKE-UHFFFAOYSA-N 315.764 3.044 0 40 DGAB CCC[C@H](C)NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713459 ZNNGSXMZOVBKII-ZDUSSCGKSA-N 300.402 3.248 0 40 DGAB Cc1c(CSC(C)C)cccc1NC(=O)N(C)[C@@H](C)CO 95454991 ZPRLOQXPQPUNDQ-LBPRGKRZSA-N 310.463 3.481 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)/C=C/c1cn(Cc2ccccc2)nn1 7957256 ULYZGDSKYVHTRM-XAZATZFJSA-N 324.428 3.035 0 40 DGAB OCCCN(CC1CCOCC1)[C@H]1CCCc2ccccc21 81535427 YXPXZJXNLZQBBQ-IBGZPJMESA-N 303.446 3.175 0 40 DGAB CCOc1ccccc1CNC(=O)N[C@@H](C)c1nc(C)cs1 69285524 WOGMNZZXGWUIGM-LBPRGKRZSA-N 319.430 3.411 0 40 DGAB CCc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1 8345126 VKDVYZCJNCYXGK-UHFFFAOYSA-N 312.320 3.217 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccccc1F 8430363 MIWDWZAASIWBOQ-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB CC(C)OC[C@@H](O)CN(Cc1c(F)cccc1Cl)C1CC1 96999608 VBOWNYKGOAVAEP-ZDUSSCGKSA-N 315.816 3.229 0 40 DGAB CCN1CCCN(C(=O)c2cc(Cl)cc3cccnc23)CC1 69531338 ACYHLXARHJTLEW-UHFFFAOYSA-N 317.820 3.056 0 40 DGAB O=C(C[C@H]1CCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72285779 IGLKSTDAJCGTBD-CVEARBPZSA-N 309.413 3.236 0 40 DGAB Cc1c(C(=O)OC[C@H]2CC=CC[C@H]2C)cnn1C1CCOCC1 97032290 JSTYXCZQXMJZAS-UKRRQHHQSA-N 318.417 3.302 0 40 DGAB C[C@@H](NC(=O)CNCC(F)(F)F)c1ccc2ccccc2c1 70974504 JGPOEPUAQDPDHP-LLVKDONJSA-N 310.319 3.169 0 40 DGAB Cc1nn(C)cc1CNC(=O)Nc1cccc(C(F)(F)F)c1 28236301 LWMUUOHIZADGSB-UHFFFAOYSA-N 312.295 3.069 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@@H]1Cc1ccco1 95947464 MPLZLAKGFJZNIS-HIFRSBDPSA-N 302.374 3.416 0 40 DGAB CCCN(CCO)c1ccc2cccc(Br)c2n1 95971875 OXPWITWNOMMGQU-UHFFFAOYSA-N 309.207 3.206 0 40 DGAB Cc1csc([C@H](C)CNC(=O)Nc2cnn(CC(C)C)c2)n1 95939142 NBQHXOJUSAWKRP-LLVKDONJSA-N 321.450 3.229 0 40 DGAB Cc1noc(COC(=O)c2cccc(-c3ccccn3)c2C)n1 95974386 CRGCDYAHVYMUCC-UHFFFAOYSA-N 309.325 3.105 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2cc(CC)no2)C1 89282941 VGAOJSPCBHDZET-GXTWGEPZSA-N 311.451 3.053 0 40 DGAB O=C(c1cnn(Cc2ccccc2)c1)N1C[C@H]2CCCC[C@H]2C1 75105461 VQHQWDLSHGBEBU-CALCHBBNSA-N 309.413 3.194 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc21)c1cnc([C@H]2CCCO2)s1 89759204 RYIWFXXYSDNATH-GXTWGEPZSA-N 314.410 3.064 0 40 DGAB O=C(c1ccc(Cl)cn1)N1CCC[C@@H](Nc2ccccc2)C1 89845684 FVRABOVNSGJCTG-OAHLLOKOSA-N 315.804 3.452 0 40 DGAB CCO[C@H](C)c1noc(Cn2c(C3CC3)nc3ccccc32)n1 89985007 USPOGYZDOQDUOD-LLVKDONJSA-N 312.373 3.443 0 40 DGAB C[C@H](NC(=O)c1cccc(F)c1F)c1ccc2c(c1)OCO2 28305247 ZZOYQZMTBJLTBZ-VIFPVBQESA-N 305.280 3.185 0 40 DGAB COc1ccc(-c2nc3c4cc(F)ccc4ncn3n2)cc1OC 61719670 YDGSDJYYFCMQDC-UHFFFAOYSA-N 324.315 3.101 0 40 DGAB Cc1cccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)c1 36062831 ROISNOJAJFFDRQ-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CC(=O)Oc1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 409189166 DPUTWHVCTFSPDI-WJDWOHSUSA-N 321.332 3.265 0 40 DGAB COc1cnccc1[C@H](C)NC(=O)N[C@@H](C)c1cc(C)oc1C 186788409 ZYRDWQDFWXUUJW-RYUDHWBXSA-N 317.389 3.421 0 40 DGAB COc1ccc(-n2ccc(CNCc3cccc(OC)c3)n2)cc1 78552873 PDEFRUULXMXUIU-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB Cc1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)s1 38666513 PUFGBYBBUQSCPO-JTQLQIEISA-N 323.368 3.145 0 40 DGAB Cc1cc2ncn(Cc3nccn3CC(F)(F)F)c2cc1C 76695079 UWKONWWLQGOAGX-UHFFFAOYSA-N 308.307 3.460 0 40 DGAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2cccnc2)n1 72378643 UANVUJILONMTSA-GOSISDBHSA-N 319.412 3.308 0 40 DGAB COCCN1CCC(c2cncc(-c3cccc(F)c3)n2)CC1 72359355 IIPAJTRFMAVVFE-UHFFFAOYSA-N 315.392 3.109 0 40 DGAB O=C(c1ccncc1)N1CC[C@H](Cc2cccc3cccnc23)C1 72368273 YRQOFZXIHCVUIY-OAHLLOKOSA-N 317.392 3.335 0 40 DGAB CCCN(C)C(=O)C(=O)Nc1ccc(C(F)(F)F)cc1Cl 77741588 IMUFIFHMTZAVQN-UHFFFAOYSA-N 322.714 3.166 0 40 DGAB CSCC[C@](C)(O)CNC(=O)c1cccc2ccccc12 75157454 WKGUAQIYIXOXQF-KRWDZBQOSA-N 303.427 3.074 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1ccccc1Cl 225469989 DLILDBGLEACSNF-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB COc1ccc(NC(=O)N2CCN(C)c3ccccc3C2)cc1 69225412 OKAZIRHBUNRHRJ-UHFFFAOYSA-N 311.385 3.179 0 40 DGAB O=C(O)CN1CCC(COc2cc(Cl)cc(Cl)c2)CC1 225451052 DIUGKOKXXKGEGM-UHFFFAOYSA-N 318.200 3.169 0 40 DGAB Cc1nc(CNC(=O)NCCc2csc(C(C)C)n2)cs1 69666123 LSTJMVGNOMJOQF-UHFFFAOYSA-N 324.475 3.073 0 40 DGAB O=C(NCCn1ccnc1)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 96424994 GGEKKFYEGQEVAK-KBPBESRZSA-N 324.211 3.110 0 40 DGAB CCc1oc2ccccc2c1CN1CCC(CC(=O)NC)CC1 93588056 XQCIUINGVQJYFV-UHFFFAOYSA-N 314.429 3.343 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@H]1CC(C(F)(F)F)=NO1 583651687 QKHIEGHOMNLXRE-SNVBAGLBSA-N 315.295 3.132 0 40 DGAB COc1cc(F)c(F)cc1NC(=O)N1CCC=C(Cl)C1 583651926 WFZODAWLNHTODD-UHFFFAOYSA-N 302.708 3.334 0 40 DGAB COCc1nsc(NC(=O)c2occc2-c2ccccc2)n1 97104350 NOOCITSYRSNUSR-UHFFFAOYSA-N 315.354 3.197 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc(C(F)(F)F)nc1 95480843 XJOUBECIIBYHJR-UHFFFAOYSA-N 313.279 3.277 0 40 DGAB CC(C)(C)n1cc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cn1 97377251 RNWQEQGTDGIOQZ-MRXNPFEDSA-N 312.417 3.070 0 40 DGAB Cc1ncsc1CN1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107489 UZTNJFMVYIAJIE-RDJZCZTQSA-N 322.474 3.002 0 40 DGAB CCN1C(=O)CC[C@]12CCCN(Cc1ccc(F)cc1)CC2 96047501 WBJJLSPIWNQYGC-SFHVURJKSA-N 304.409 3.193 0 40 DGAB c1ccc(NC[C@@H]2CCN(c3ncnc4sccc34)C2)nc1 97200861 XHCVLBQCOOSYHN-LBPRGKRZSA-N 311.414 3.025 0 40 DGAB Cc1ccccc1-c1ccc(NC(=O)N2CC[C@H]3CNC[C@H]32)cc1 97505581 TVCCRNDEBXDWAV-QFBILLFUSA-N 321.424 3.488 0 40 DGAB CC(C)[C@H](NC(=O)NC(C1CC1)C1CC1)c1nc(C2CC2)no1 69763588 SEVQDSNNQQMELL-ZDUSSCGKSA-N 318.421 3.132 0 40 DGAB Cc1cc(C)n(Cc2ccc(-c3ccccc3C(=O)O)nc2)n1 257201959 AJUSMKXUJTWENQ-UHFFFAOYSA-N 307.353 3.308 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2cccs2)C1 69921686 MACVEJYDNYSPND-AWEZNQCLSA-N 317.458 3.303 0 40 DGAB CCCN(CCc1ccccn1)C(=O)Cc1noc2ccccc12 61435662 YFYZGIZUXVNBOS-UHFFFAOYSA-N 323.396 3.247 0 40 DGAB Cc1ccc(F)cc1CN1CC([C@H](C)NC(=O)c2cncnc2C)C1 97370491 KMFLEIGCUKVABV-UHFFFAOYSA-N 342.418 2.483 0 40 DGAB O=C(NCc1ccco1)c1ccc(OCc2cscn2)cc1 17305031 IJVOESYIRZIUCE-UHFFFAOYSA-N 314.366 3.245 0 40 DGAB COc1cc(C(=O)NCc2ccco2)ccc1OCC(C)C 12569050 YKBNGWZJMYQYKZ-UHFFFAOYSA-N 303.358 3.253 0 40 DGAB O=C1[C@@H]2CS[C@@H](c3ccsc3)N2C(=O)N1c1ccccc1 4520165 GDBGXLHSJNPEPX-JSGCOSHPSA-N 316.407 3.331 0 40 DGAB Cc1ccc(Cc2nnc(Nc3ccccc3C)[nH]c2=O)cc1 5154524 ITFSJHDNCFFTHR-UHFFFAOYSA-N 306.369 3.116 0 40 DGAB Cn1ccc(C(=O)Nc2cccc(-c3nc4ccccc4o3)c2)n1 11695537 VUXUBKOEBYFNAQ-UHFFFAOYSA-N 318.336 3.481 0 40 DGAB CCC(C)(C)C(=O)N1CCC(COc2ncccc2C)CC1 1775969432 RBWHLSSIFQXOLY-UHFFFAOYSA-N 304.434 3.444 0 40 DGAB O=C(CSC(=O)c1ccccc1)Nc1ccc(Cl)cn1 62251 GPPJXGRVQBXUBQ-UHFFFAOYSA-N 306.774 3.247 0 40 DGAB C[C@@H]1CCCCN1CCNC(=O)C12CC3CC(CC(C3)C1)C2 40107536 RUEIMMIMMQVANF-DGTBMVLOSA-N 304.478 3.193 0 40 DGAB C[C@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 40104660 KEFXLOOQNICACU-AOOOYVTPSA-N 318.295 3.226 0 40 DGAB O=c1oc2ccccc2n1CN1CCCc2c(F)cc(F)cc21 40139204 SSBNDJIRYLMOPD-UHFFFAOYSA-N 316.307 3.283 0 40 DGAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 20218759 RCZMDFYYEUDPLB-SFHVURJKSA-N 316.832 3.196 0 40 DGAB COc1ccc(CNC(=O)NCCC2=CCCCC2)cc1OC 30982413 NCNXGBDTPBCRGB-UHFFFAOYSA-N 318.417 3.394 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc3[nH]ncc3c2)cc1OC 20496866 MKWCDTUBTOECGS-XBXARRHUSA-N 323.352 3.232 0 40 DGAB O=C(O)c1cnn2c1N[C@H](c1ccccc1)C[C@H]2C(F)(F)F 226834 LYZQKJPJPOCQQM-QWRGUYRKSA-N 311.263 3.242 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)cc1 21174207 HXZPDPWFEWTLCH-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(-n3cccn3)cc2)cc1 32930932 LLLXKVAWADEBFR-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB CC(=O)c1cc(C(=O)N[C@H](c2cccs2)C(C)C)n(C)c1 52990570 DNIOTJXYNGFMMM-HNNXBMFYSA-N 304.415 3.416 0 40 DGAB CCOC(=O)Cc1nnc(Nc2ccc(O)cc2)c2ccccc12 504052 DVBOFQXTNPSKSE-UHFFFAOYSA-N 323.352 3.185 0 40 DGAB Cc1ccc([C@@H](NC(=O)C2=COCCO2)c2cccs2)cc1 22885319 CDKGPUSIVXYUPB-MRXNPFEDSA-N 315.394 3.150 0 40 DGAB CC(C)[C@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N(C)C 68559385 YJEOEPBEDFJZEX-AWEZNQCLSA-N 321.421 3.421 0 40 DGAB CC(C)c1ccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7842966 UTIHNLQUJYQOLB-PBHICJAKSA-N 318.442 3.203 0 40 DGAB COCCN(Cc1cccs1)C(=O)N[C@H](C)c1ccccn1 40477703 HNHUBGPPMPUKAD-CYBMUJFWSA-N 319.430 3.062 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)CCCc1c[nH]c2ccccc12 45445988 XTGVPYXYVBRLKB-UONOGXRCSA-N 300.402 3.126 0 40 DGAB Cc1ccc2cccc(NC(=S)NC(=O)c3cccnc3)c2n1 271129 KNSXYOPDXLDMCH-UHFFFAOYSA-N 322.393 3.065 0 40 DGAB N[C@@H](Cc1ccccc1)C(=O)N1CCC(Cc2ccccc2)CC1 252366 ZOLBVZZPJKANQA-FQEVSTJZSA-N 322.452 3.038 0 40 DGAB CC[C@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(C)=O 246488 JSSVAEGJONPBFW-GOSISDBHSA-N 320.433 3.246 0 40 DGAB COc1ccc(C[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 261232 FZHXBXKVCHGELH-HNNXBMFYSA-N 309.365 3.126 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](n3cccn3)C2)c(C)n1C1CC1 69348401 OGGJKIAGGCPMPL-MRXNPFEDSA-N 312.417 3.114 0 40 DGAB Cc1cccc(C)c1N1C[C@H](C(=O)NC2CCCCC2)CC1=O 7928351 JBDFMILPWABJQY-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB O=C(CCSCc1ccccc1F)NC(=O)NC1CCCC1 32778647 VPRDTLUIWPNQKX-UHFFFAOYSA-N 324.421 3.217 0 40 DGAB c1cncc(-c2nc(-n3ccnc3)c3c4c(sc3n2)CCC4)c1 8134932 ODKMWMAFPAOYJN-UHFFFAOYSA-N 319.393 3.428 0 40 DGAB COc1cc(OC)c(C(=O)Nc2cccc(F)c2)cc1OC 496859 WZYFISILSDPXTL-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB CSc1ncccc1C(=O)NCCO[C@@H]1CCCC[C@H]1C 32931284 MQWYYQXHKVJIRA-TZMCWYRMSA-N 308.447 3.129 0 40 DGAB O=C(CSc1nncs1)c1sccc1Br 36882332 IOWBGHMLRLIWDJ-UHFFFAOYSA-N 321.246 3.337 0 40 DGAB CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 530935 GUMQOTKFTONCKX-JTSKRJEESA-N 319.341 3.384 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2nc(N)nn21 531318 YIKOHTAXOUEZNT-GJZGRUSLSA-N 321.384 3.015 0 40 DGAB COc1ccc(OCCSc2nc(C)nc3c2CCC3)cc1 12016922 NQGLYXCBQFFJFP-UHFFFAOYSA-N 316.426 3.453 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCc2[nH]c3ccccc3c2C1 22601888 HYPUSEXTJHASJE-UHFFFAOYSA-N 313.788 3.358 0 40 DGAB Cc1ccc(CNC2CCN(C(=O)c3ccco3)CC2)s1 42206795 FBGCBFMAFFHCPK-UHFFFAOYSA-N 304.415 3.044 0 40 DGAB CC[C@H]1CCCCN1c1ccc(NC(=O)CCC(=O)O)cc1 818815 DMVITXLWUZPSOL-AWEZNQCLSA-N 304.390 3.259 0 40 DGAB Cc1cccc(C)c1NC(=O)CCC(=O)CC(=O)c1ccncc1 104274025 ZUJRLYQHAHONIS-UHFFFAOYSA-N 324.380 3.259 0 40 DGAB O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccco1 54214991 UVPVRMDLPKVVCV-AWEZNQCLSA-N 317.732 3.123 0 40 DGAB C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(-n2ccnc2)cc1 23564853 QQVAVCHHSMKPDA-LLVKDONJSA-N 314.776 3.345 0 40 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Cc1cc(NC(=O)CCSc2ncc(C(C)(C)C)o2)no1 95416489 SAZKLQQQPCXKCA-UHFFFAOYSA-N 309.391 3.389 0 40 DGAB CCn1c([C@@H]2CCCN2CCn2ccnc2C)nc2ccccc21 95446901 UECFKMGUVHKAJO-SFHVURJKSA-N 323.444 3.398 0 40 DGAB c1ccc(CCN2CCC(NC[C@H]3CCCS3)CC2)cc1 95412788 KCUXPQAGNUATNQ-GOSISDBHSA-N 304.503 3.179 0 40 DGAB CN1CCC(Nc2ccccc2OCc2cscn2)CC1 95457172 CGTLOKBSOZBQBA-UHFFFAOYSA-N 303.431 3.228 0 40 DGAB CCc1ccc(CNc2ccc(N3CCOC3=O)c(OC)c2)o1 95428599 NTCGBWXQPWNSSO-UHFFFAOYSA-N 316.357 3.419 0 40 DGAB CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@@H](C)c1ccccc1OC 95459139 FSOYWSRXIMLBTH-QLFBSQMISA-N 304.434 3.135 0 40 DGAB Cc1ccc(N(C)C(C)C)c(C(=O)NCc2nccs2)c1 78874939 DZMAQNRVUVFTIL-UHFFFAOYSA-N 303.431 3.226 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)NCc2cccc(CO)c2)C1 89275080 RYYHROQUWSFELM-HOTGVXAUSA-N 322.474 3.042 0 40 DGAB Cc1ccc(C(C)C)c(OC[C@H](O)CNCc2ccco2)c1 9970626 FGVZKHBHOQAUHM-OAHLLOKOSA-N 303.402 3.241 0 40 DGAB CC(C)OCc1c(Br)cnn1CC(F)(F)F 408716622 OYCNMEAQZORQPV-UHFFFAOYSA-N 301.106 3.133 0 40 DGAB 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CCO[C@H](C)c1noc(COc2cccc3c2OC(C)(C)C3)n1 96407113 VAJIONXSJSEURQ-LLVKDONJSA-N 318.373 3.460 0 40 DGAB O=C(Cn1c(C2CC2)nc2ccccc21)N1C[C@@H]2CC=CC[C@H]2C1 96423504 BOIRIVOOXAGNMR-HOTGVXAUSA-N 321.424 3.338 0 40 DGAB C[C@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C(N)=O)cc1 96456814 MTAGOELAQZZPDT-KPZWWZAWSA-N 312.388 3.338 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)Cc2cccc(O)c2)o1 96449915 PAYAGLRCKGVDFK-HNNXBMFYSA-N 317.410 3.153 0 40 DGAB Cn1ncc2ccc([C@@H]3CCCN(Cc4ccsc4)C3)nc21 257222703 DUKAZLRQCFBAAH-OAHLLOKOSA-N 312.442 3.409 0 40 DGAB O=C(c1cnco1)N1CCC(Cc2ccc3ncccc3c2)CC1 257288892 PWCDMHIDUMKBKV-UHFFFAOYSA-N 321.380 3.318 0 40 DGAB O=C(CCc1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1 257252751 JWAIVVDGLDMEPC-SFHVURJKSA-N 308.425 3.496 0 40 DGAB Clc1ccc2ncc(-c3ccc(C[C@H]4CCNC4)cn3)n2c1 585262982 GJNMHGRSBRDHQU-CYBMUJFWSA-N 312.804 3.202 0 40 DGAB O=C(O)c1cc2cccc(Br)c2nc1OCC1CC1 685936810 AOOYYIHKPJFEAC-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB C[C@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccc(Cl)s1 44914830 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13227668 PDRCNFBBKVLVKK-UHFFFAOYSA-N 301.342 3.074 0 40 DGAB COc1ccc(CCNC(=O)Nc2cccc(F)c2)cc1OC 137479 FNYPKZIHEPIMMO-UHFFFAOYSA-N 318.348 3.207 0 40 DGAB Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@@]2(O)C(F)(F)F)o1 356277 GCBFENZUJLLWSP-CYBMUJFWSA-N 318.295 3.087 0 40 DGAB Brc1ccc2[nH]c3c(N4CCCC4)ncnc3c2c1 536079 GFWRHYJXFLUDEY-UHFFFAOYSA-N 317.190 3.474 0 40 DGAB CCN1CC[C@@H](C2(C(=O)OC)c3ccccc3-c3ccccc32)C1 1568364 VTXNXLIZQOUASX-OAHLLOKOSA-N 321.420 3.468 0 40 DGAB COc1cc(NC(C)=O)c(Br)cc1Br 1721291 JAHYESARNDAMQQ-UHFFFAOYSA-N 322.984 3.179 0 40 DGAB CCOP(=O)(CCNP(=O)(OCC)OCC)OCC 1882304 AFPYMWHREBPXBB-UHFFFAOYSA-N 317.259 3.023 0 40 DGAB CN1CCN(c2nc(-c3cccs3)nc3ccccc23)CC1 3401675 KYZWFXSCKYQHNK-UHFFFAOYSA-N 310.426 3.110 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1 3454455 FLPJUKGLWMPBAD-HNNXBMFYSA-N 318.804 3.500 0 40 DGAB CCCC(=O)Oc1cccc([C@H]2NC(=O)c3ccccc3O2)c1 4997902 PMWKMCCPPQTNOZ-SFHVURJKSA-N 311.337 3.213 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(OC)cc2)c1C 6152243 ICWRQOCBYDTTBN-UHFFFAOYSA-N 316.357 3.069 0 40 DGAB Nc1nnc(Sc2ncc(C(F)(F)F)cc2Cl)s1 6219705 XQJGGQKJESVRSM-UHFFFAOYSA-N 312.729 3.339 0 40 DGAB Cc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C 7309603 HWTFPJCFXNNVRB-OAHLLOKOSA-N 303.427 3.385 0 40 DGAB CCN(CC(=O)Nc1ccc(F)c(F)c1)Cc1cccs1 7613660 GQSDWOASBAGZRX-UHFFFAOYSA-N 310.369 3.487 0 40 DGAB Cc1nc(Sc2ncccn2)c2c3c(sc2n1)CCC3 8197811 FQFAHJALVWVCQP-UHFFFAOYSA-N 300.412 3.430 0 40 DGAB CC(C)c1nnc(SCCCOc2ccc(C=O)cc2)n1C 8731687 HFTALTDGCDJBTJ-UHFFFAOYSA-N 319.430 3.312 0 40 DGAB COc1c(Cl)cc(Cl)cc1C(=O)NCc1cccnc1 8908378 LCBAZXHVKKSDOA-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB CC(C)c1cc(NC(=O)CSc2nc3ccccc3[nH]2)on1 9315707 VVSBSDMVUNMCCR-UHFFFAOYSA-N 316.386 3.405 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccccc1)c1ccc(F)cc1 9319051 DTUNYVITIPGUFG-MRXNPFEDSA-N 309.344 3.079 0 40 DGAB Cn1c(SCCc2ccccn2)nnc1-c1cccs1 10915850 SEARZULCDKBHCE-UHFFFAOYSA-N 302.428 3.273 0 40 DGAB O=C(NCCc1cn2ccccc2n1)c1cc(Cl)ccc1F 12668740 QBDGRWDFSGPQNQ-UHFFFAOYSA-N 317.751 3.099 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 13225151 GPMRWWDIUGJBIG-BPNCWPANSA-N 307.777 3.198 0 40 DGAB in-vitro CCc1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 14049930 ABXDDMANOQKWCO-UHFFFAOYSA-N 322.368 3.265 0 40 DGAB CCc1ccc(O[C@H](C)C(=O)NCc2csc(C)n2)cc1 15832278 WUCYXYAGDUJUPL-LLVKDONJSA-N 304.415 3.098 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1C 16302053 AWUHNGRIHXTIER-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB O=C(CCc1csc2nc(-c3ccccc3)cn12)NC1CC1 16848727 ZROBLFUNGWGAKW-UHFFFAOYSA-N 311.410 3.274 0 40 DGAB CC(C)[C@H](C)NC(=O)c1ccc(I)cc1 17055088 JFVFBURAOMAOPL-VIFPVBQESA-N 317.170 3.066 0 40 DGAB COc1cc(CCC(=O)Nc2nc(C)c(C)s2)cc(OC)c1 21598373 KZDYHTFILSOPPP-UHFFFAOYSA-N 320.414 3.348 0 40 DGAB CC(=O)c1ccccc1OCCOC(=O)c1n[nH]c2ccccc12 22140673 NUMDTBIPDJJOBR-UHFFFAOYSA-N 324.336 3.001 0 40 DGAB CCCOc1ccc(NC(=O)c2cnccn2)cc1OCCC 22743461 VMPDIIAJIRKTAH-UHFFFAOYSA-N 315.373 3.307 0 40 DGAB CC(C)CCNC(=O)c1ccc(NC(=O)c2ccco2)s1 23681719 SDNCTNPUGJBARS-UHFFFAOYSA-N 306.387 3.369 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCN(C)c2ccccc2)cc1 24241176 NTCLDMQBZBUDIC-MRXNPFEDSA-N 312.413 3.015 0 40 DGAB O=C(Nc1cccnc1)N(Cc1cccs1)C[C@@H]1CCCO1 24535775 HEUWMOUWLUEBFQ-AWEZNQCLSA-N 317.414 3.356 0 40 DGAB CC[C@H](C)NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 28231272 ZTBABMYRDRXKBK-LBPRGKRZSA-N 321.808 3.410 0 40 DGAB Cc1ccccc1OC[C@H]1COCN(Cc2ccccc2)CO1 31772107 UGMNPORYTAFPFP-GOSISDBHSA-N 313.397 3.206 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccccc1F 32461944 WADMFECENQXNKQ-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB O=C(CCSc1nncs1)Nc1ccc2c(c1)CCC2 32871088 QVFICUNWKVJGDR-UHFFFAOYSA-N 305.428 3.148 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccn(-c2ccccc2)n1 32913919 NRDAREHPQWHKRA-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB CCOCCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 40087395 NLEIMFBUPVZFNS-UHFFFAOYSA-N 308.765 3.151 0 40 DGAB COc1coc(C(=O)Nc2ccc(C(C)(C)C)cc2)cc1=O 40282962 QSBDYMVSZVCCNL-UHFFFAOYSA-N 301.342 3.198 0 40 DGAB CC(C)c1noc(CN2CCN(c3ccccc3Cl)CC2)n1 42252116 JAAHZYHZXYWSQN-UHFFFAOYSA-N 320.824 3.169 0 40 DGAB COc1cccc(OCCNC(=O)c2ccc(Cl)cc2F)c1 43771110 VBLJFBWHNXGUGO-UHFFFAOYSA-N 323.751 3.297 0 40 DGAB CNC(=O)c1ccc(/C=C/C(=O)Oc2cccc(Cl)c2)cc1 44290899 DOZVDMBYGMJFFM-JXMROGBWSA-N 315.756 3.318 0 40 DGAB COCCOc1ccc(NC(=O)NC2CCC(C)CC2)cc1 44301303 UBAHIWKBFDXLSY-UHFFFAOYSA-N 306.406 3.412 0 40 DGAB Brc1ccc(N2CCN(c3ccccc3)CC2)nc1 48759884 XUYSVPIUKHAYRK-UHFFFAOYSA-N 318.218 3.171 0 40 DGAB Cc1cccc(N(C)C(=O)Cn2cc(C=O)c3ccccc32)c1 51318981 ZTYCFHFFZUQMKN-UHFFFAOYSA-N 306.365 3.425 0 40 DGAB O=C1c2ccccc2NC2(CCCCC2)N1C[C@H]1CCCO1 52806432 XTUPZCRJACHGDO-CQSZACIVSA-N 300.402 3.394 0 40 DGAB CC(C)NC(=S)Nc1cccc(COC[C@@H]2CCCCO2)c1 54939446 NKFOIERCNXIBJG-INIZCTEOSA-N 322.474 3.467 0 40 DGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCO[C@H]2CCC[C@@H]21 56197612 PODCEFSCBAMOTK-STQMWFEESA-N 304.777 3.215 0 40 DGAB C[C@@H](NCc1ccccc1Cl)C(=O)NCc1ccccc1 57024395 KZZKODRPHNVYSI-CYBMUJFWSA-N 302.805 3.135 0 40 DGAB COc1ccccc1CCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 60932564 ZNWRTKLRCILMDX-ZDUSSCGKSA-N 323.396 3.382 0 40 DGAB Cc1cc(C(=O)NC[C@@H]2CCN(C(C)C)C2)c2ccccc2n1 63490250 NPZCXGCQWVMDAK-HNNXBMFYSA-N 311.429 3.003 0 40 DGAB O=C(Nc1ccn(Cc2ccncc2)n1)c1cc2c(s1)CCC2 65625214 ZSLGFEFDEQCSDO-UHFFFAOYSA-N 324.409 3.129 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(C)c3ccccc3C2)n1 69091063 QVCNANNDQPERTH-CYBMUJFWSA-N 300.406 3.206 0 40 DGAB C[C@H](NC(=O)Nc1cccc2cnccc12)C(=O)OC(C)(C)C 69655779 UGFAXVSRHYZXPH-NSHDSACASA-N 315.373 3.087 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 71829988 MREIJJQRUHOULC-HNNXBMFYSA-N 300.406 3.273 0 40 DGAB CCN1CCC(N(C)C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)CC1 71853409 GCYCIGBMJUYXSB-LSDHHAIUSA-N 306.475 3.103 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 71882222 LQTXGYFNSLUSRN-UONOGXRCSA-N 313.405 3.222 0 40 DGAB C[C@H](OCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1 72203971 IHEPEGRKHMYCIS-ZDUSSCGKSA-N 321.421 3.201 0 40 DGAB c1ccc(C[C@H]2COCCN(Cc3ccc4cc[nH]c4c3)C2)nc1 72388195 FRMPDUMCUWWSSV-QGZVFWFLSA-N 321.424 3.254 0 40 DGAB Cc1nnc(-c2ccc(C(=O)Nc3cccc4cn[nH]c34)cc2)o1 72847257 PIKCRCUURSEWIV-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB CC[C@@H](C(=O)NCc1cccc(OC)c1)c1c(C)noc1C 75126537 JFQJYOYSYDFDAU-OAHLLOKOSA-N 302.374 3.110 0 40 DGAB CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C1(C)C 76091757 CIDHKVCFDRWDGB-FIXISWKDSA-N 311.451 3.015 0 40 DGAB O=C1C[C@H](NCc2cccc3cccnc23)CN1c1ccccc1 84549416 IUTTWUULMURZGT-KRWDZBQOSA-N 317.392 3.130 0 40 DGAB COc1cc(NC2CCN(C(=O)C=C(C)C)CC2)cc(OC)c1 84670866 RFUJCJPCFXWQMU-UHFFFAOYSA-N 318.417 3.073 0 40 DGAB CC(C)(O)[C@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F 89761618 OXVMIRXXOADANW-GFCCVEGCSA-N 316.323 3.473 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)Nc3c(C)n[nH]c3C)cc2)o1 89872477 ZPXMFFDOCWYDTE-UHFFFAOYSA-N 312.333 3.029 0 40 DGAB CO[C@H](C)c1noc(COc2cccc3c2OC(C)(C)C3)n1 89913706 ZHNRALPJHWTVIB-SNVBAGLBSA-N 304.346 3.070 0 40 DGAB COc1ccc([C@H](C)NCc2ccc([S@](C)=O)cc2)c(F)c1 90221499 OTXDVGSSXAENNP-AMXDTQDGSA-N 321.417 3.423 0 40 DGAB COC(=O)C1=C(C)O[C@H](CN2CCC[C@@H]2c2ccccc2C)C1 95444052 CTXTVPVUAQGOAY-MAUKXSAKSA-N 315.413 3.368 0 40 DGAB Cc1nnc(NC(=O)CC2(n3cccc3)CCCCC2)s1 95472416 QHGHGKVNODUJBI-UHFFFAOYSA-N 304.419 3.336 0 40 DGAB CC(C)c1ocnc1C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95970406 OVCKNIXCVNNEKX-VMPITWQZSA-N 300.314 3.148 0 40 DGAB C[C@H](CO)[C@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003134 GRWVMLKQDRNTFO-SFYZADRCSA-N 322.739 3.080 0 40 DGAB CCOC(=O)c1cccc(N(CC)C(=O)c2ccc(F)cn2)c1 96009543 UGBYOOZSJDJLQF-UHFFFAOYSA-N 316.332 3.064 0 40 DGAB CCOC[C@H]1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21 96059911 PPPCHBIVKHXJGT-OAHLLOKOSA-N 319.474 3.409 0 40 DGAB Cn1cccc1C(=O)Nc1ccc(NC[C@H]2CCCO2)c(F)c1 96417199 SHGLLADKZSEDCH-CYBMUJFWSA-N 317.364 3.007 0 40 DGAB CCc1ccc([C@@H](COC)NC(=O)c2sccc2OC)o1 96423277 XWHPWYKUGGQZLW-LLVKDONJSA-N 309.387 3.030 0 40 DGAB C[C@H](S[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccs1 96424935 XFKNNMBJMCLRAI-FZMZJTMJSA-N 321.471 3.471 0 40 DGAB C[C@H](CNC(=O)N[C@@H](C)c1ccncc1)Cc1cccs1 96437641 BTZWVAUIASEOMF-STQMWFEESA-N 303.431 3.382 0 40 DGAB C[C@H]1C[C@H](NC(=O)N(C)Cc2nccn2C(F)F)CC[C@H]1C 96502897 SWSKWWRQKNSNKY-GRYCIOLGSA-N 314.380 3.244 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2)c(C)c1 96659161 IKIFOTADUAODJR-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 97036911 RRYNJEXIVPQYHV-IUCAKERBSA-N 304.337 3.114 0 40 DGAB CCn1nc(C)c(N[C@H](C)c2ccc3c(c2)OCCO3)c1C 97232359 GTLXUUKUVUKDIJ-LLVKDONJSA-N 301.390 3.464 0 40 DGAB COc1ccc([C@@H]2C3=C(O)C[C@H](C)CC3=Nc3ncnn32)cc1 102672975 XZFMTWLOJRDCAB-QLJPJBMISA-N 310.357 3.204 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccnc1)C[C@@H]1CCCO1 107492272 NABGTNQIOFZUJR-DKIMLUQUSA-N 314.429 3.025 0 40 DGAB COc1ccc(C[C@H](C)N[C@@H]2CCO[C@@]3(CCSC3)C2)cc1 108372370 NIFDFUUUBICVFU-LESCRADOSA-N 321.486 3.271 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccon2)c(Cl)cc1Cl 146220812 JZDBMCUIWLKHQG-UHFFFAOYSA-N 307.158 3.091 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CNC1CCN(c2ncccn2)CC1 191092246 UWGVNDOOTVHTNM-NVXWUHKLSA-N 300.450 3.027 0 40 DGAB Cc1c(NS(=O)(=O)c2cccc(F)c2)cnn1C1CCCC1 194230347 LCFCQRDXRKLKBO-UHFFFAOYSA-N 323.393 3.247 0 40 DGAB C[C@H](N)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 195536815 TXKJOAZUDIPSSL-UWVGGRQHSA-N 318.314 3.044 0 40 DGAB CCc1c(-c2ccc(OC)cc2Br)nn(C)c1N 199791316 JRQPXDMWMKAGMR-UHFFFAOYSA-N 310.195 3.003 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 222928653 ORGRVKKCALFJHU-CVEARBPZSA-N 314.458 3.049 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2cccc(F)c2)cc1 225562138 VGHLPXCKOGSFFZ-UHFFFAOYSA-N 304.390 3.500 0 40 DGAB CO[C@]1(CNC(=O)c2cc3ccccc3s2)CCSC1 225623529 VFFQJBMXYRBZGY-HNNXBMFYSA-N 307.440 3.153 0 40 DGAB S=C(NCCOc1ccccc1Cl)Nc1ccncc1 225780995 MELDXSHQMCGXBX-UHFFFAOYSA-N 307.806 3.100 0 40 DGAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225796366 LNKIOVXXMVJFAW-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB O=C(NCc1ccccn1)c1ccc2nc(Cl)sc2c1 225976815 QLBDZDZSMLXWBQ-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 257219457 DGVREHFJEJKETD-AWEZNQCLSA-N 313.376 3.201 0 40 DGAB COCc1cc(Cl)ccc1NC(=O)N[C@]12C[C@@H]1COC2(C)C 529124770 SXZLEYHDDLLUMB-BDJLRTHQSA-N 324.808 3.175 0 40 DGAB CC(C)Cc1ccccc1CNC(=O)c1cc(C2CC2)n(C)n1 529569221 LPUWSKPLAHYQQY-UHFFFAOYSA-N 311.429 3.426 0 40 DGAB Cn1ncc(C(F)(F)F)c1CNCc1ccc2ncccc2c1 657456255 FHICDMKTCNUKMX-UHFFFAOYSA-N 320.318 3.277 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ncccc2Cl)C1 2087130930 PBXUPXABJMEQBT-GFCCVEGCSA-N 309.841 3.208 0 40 DGAB O=C(Nc1ccccc1)N(Cc1ccco1)C[C@H]1CCCO1 257597 AVKRCMQDDXVVRA-MRXNPFEDSA-N 300.358 3.493 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1cccc(Cl)c1 1972439 QKKQTUFDUZRORB-UHFFFAOYSA-N 317.772 3.455 0 40 DGAB CCOc1ncccc1C(=O)Nc1nnc(C(CC)CC)s1 2651259 CPIDUWWVZRVYRT-UHFFFAOYSA-N 320.418 3.488 0 40 DGAB Cc1sc(NC(=O)CCC(=O)O)nc1-c1ccc(F)cc1 2738284 WFJZDTGTNLROSX-UHFFFAOYSA-N 308.334 3.061 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2ccccn2)cc1OCC 3363625 ZPUACPALSIJYQT-CYBMUJFWSA-N 314.385 3.370 0 40 DGAB CSc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1 3464994 HYORDEAJRATRDJ-UHFFFAOYSA-N 301.198 3.320 0 40 DGAB CC(C)(C)N(NS(=O)(=O)c1ccc(F)cc1)c1ccccc1 4106403 PUNDKAALCDHWFT-UHFFFAOYSA-N 322.405 3.324 0 40 DGAB CCOc1ccccc1N1C[C@@H](c2nc3ccccc3[nH]2)CC1=O 4906627 ZOWZYFVCGGIUHU-ZDUSSCGKSA-N 321.380 3.482 0 40 DGAB CC(C)c1cc(C(F)(F)F)n(-c2nc(C(=O)O)cs2)n1 5242830 WUTQEWPQISPRGG-UHFFFAOYSA-N 305.281 3.169 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c(C)c1 5938897 XOFDSFSWHCHLBX-HNNXBMFYSA-N 314.429 3.341 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)C2CCCCC2)c1C 6376635 GPOQKUKINHKHCH-UHFFFAOYSA-N 305.374 3.140 0 40 DGAB CSc1cccc(NC(=O)Cc2ccc3c(c2)OCCO3)c1 6790820 OBGZACFGQMYUSY-UHFFFAOYSA-N 315.394 3.361 0 40 DGAB CC1CCN(CCCNC(=S)Nc2ccc(F)cc2)CC1 7027240 ZCMAGYCWFKWNGC-UHFFFAOYSA-N 309.454 3.234 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@@H](C)Sc1cccc[n+]1[O-] 7302698 ZGGSTPDQHUMDJR-LLVKDONJSA-N 322.817 3.401 0 40 DGAB CCc1ccccc1NC(=O)CN(C)C(=O)Cc1ccc(C)cc1 8249753 VNQPCGJMXQBEEZ-UHFFFAOYSA-N 324.424 3.197 0 40 DGAB CCOC(=O)c1cc(NC(=O)NC2CCCCC2)c(C)nc1C 8338045 NLRQDDQJDHPCCA-UHFFFAOYSA-N 319.405 3.329 0 40 DGAB CCCC(CCC)C(=O)Nc1c(C)nc2sccn2c1=O 8931630 PKBBTJAJHLIPGR-UHFFFAOYSA-N 307.419 3.219 0 40 DGAB COc1ccccc1-c1ccnc2[nH]n(-c3ccccc3)c(=O)c12 9306710 JTWFAFZTJLCYPW-UHFFFAOYSA-N 317.348 3.389 0 40 DGAB CN(C(=O)c1ccc(NC(=O)C2CC2)cc1)C1CCCCC1 9503702 ADWBNIPEBSWDIS-UHFFFAOYSA-N 300.402 3.440 0 40 DGAB O=c1c(NCCc2ccccc2)nccn1-c1ccc(F)cc1 9639172 YXKCFNLPWDKJMZ-UHFFFAOYSA-N 309.344 3.026 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 10862474 XPVFVQZTOBRCEK-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1cccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)c1 11226648 ZMPFDNISOYQMCG-UHFFFAOYSA-N 309.321 3.216 0 40 DGAB CC(C)c1cccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c1 12924501 SFWIUMIKPZKIQH-WMLDXEAASA-N 318.442 3.203 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccsc1 13725103 RZMZZXRTUDNDEN-UHFFFAOYSA-N 301.820 3.021 0 40 DGAB CCCNS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13938531 VCGYCSBYCDPGRR-UHFFFAOYSA-N 302.610 3.335 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@@H](C)O1 14114412 HMZWTRDVZADNQZ-CHWSQXEVSA-N 312.413 3.296 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@@H]1CCS(=O)(=O)C1 14186520 UGNISSRYUABJCH-CYBMUJFWSA-N 323.458 3.307 0 40 DGAB CN1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 16916178 LYQQBUQFFCBWOE-UHFFFAOYSA-N 307.806 3.037 0 40 DGAB CNc1snc(C)c1C(=O)Nc1ccc(OC)c(Cl)c1 16970221 GLYOXXLFTBVCNQ-UHFFFAOYSA-N 311.794 3.408 0 40 DGAB CNc1cc(CC2CCN(CCc3ccccc3)CC2)nc(C)n1 19758867 OYVPIFKGJGSXGN-UHFFFAOYSA-N 324.472 3.324 0 40 DGAB Cc1sc(NC(=O)c2ccco2)c(CN2CCOCC2)c1C 19879520 FHCZVGDESIKQEU-UHFFFAOYSA-N 320.414 3.042 0 40 DGAB COC(=O)C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 23038104 NMPHBRMPICEWPD-DZGCQCFKSA-N 321.804 3.417 0 40 DGAB O=C(NCCOc1ccccc1)c1sccc1-n1cccc1 25645365 RLQRNDPJTYIFII-UHFFFAOYSA-N 312.394 3.348 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)n1 25791733 YNCIIWRHPFEZLC-LLVKDONJSA-N 306.312 3.482 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccc(CN2CCCC2)o1 28229480 ZBFIXYDITHRLHA-UHFFFAOYSA-N 314.385 3.445 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@H]2CCc3ccccc32)cc1 29390712 YGXURNURXSVVQR-KRWDZBQOSA-N 317.410 3.003 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N1CCc2ccccc2C1 32913937 YTQUEXRBBVSAMQ-UHFFFAOYSA-N 303.365 3.071 0 40 DGAB CCCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OCC)=C1C 33915137 LVSVZPGCIUHEQK-INIZCTEOSA-N 316.401 3.390 0 40 DGAB CCc1c(C(=O)O)nnn1-c1ccc(Cl)c(C(F)(F)F)c1 37312395 KVWAWLFXVRXSLJ-UHFFFAOYSA-N 319.670 3.200 0 40 DGAB in-vitro CCN(CC)Cc1nc2sc(-c3ccccc3)cc2c(=O)[nH]1 39978740 VHVHNUDYOPIFEJ-UHFFFAOYSA-N 313.426 3.493 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)n1 40515730 VSNDNHWWVBFCBL-MGPQQGTHSA-N 307.438 3.457 0 40 DGAB Cc1csc(N(C)C(=O)[C@@H]2Cc3cc(Cl)ccc3O2)n1 40548855 CGPOVBWPMQITGW-LBPRGKRZSA-N 308.790 3.071 0 40 DGAB CCc1noc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714402 DPZLSOKSIMOUFU-AUECHBEKSA-N 311.385 3.051 0 40 DGAB CCCNC(=O)Nc1nnc(SCc2ccccc2)s1 43469393 JUAIICXGPLCRGR-UHFFFAOYSA-N 308.432 3.362 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCN(CC(F)(F)F)CC1 44450083 AFXOHWISHKBDRH-UHFFFAOYSA-N 321.730 3.052 0 40 DGAB Cc1ccc(S(=O)(=O)NCCCOc2ccccc2)cc1C 48311020 OZVRLSKBNXXJQR-UHFFFAOYSA-N 319.426 3.051 0 40 DGAB CCCOc1ccc([C@@H](C)NC(=O)c2ccccn2)cc1OC 48364305 LVINDUSQIYKCPL-CYBMUJFWSA-N 314.385 3.370 0 40 DGAB CCOc1cccc2cc([C@@H](C)NC(=O)c3cnn(C)c3)oc12 48375407 WYCOUOZOURBRIZ-LLVKDONJSA-N 313.357 3.056 0 40 DGAB Brc1cnn(Cc2coc(-c3ccccc3)n2)c1 49066083 VKBICRNALTYZJQ-UHFFFAOYSA-N 304.147 3.349 0 40 DGAB CCOCCCNC(=O)N(C)[C@H](C)c1nc2ccccc2s1 53956952 JHGSFKSJNCTCCK-GFCCVEGCSA-N 321.446 3.425 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@H]2CCc3ccccc32)n1 58150527 QKBVTXJVDKSDPZ-AWEZNQCLSA-N 301.415 3.009 0 40 DGAB O=c1cc(-c2ccccc2)c2cc(Cl)c(OCCO)cc2o1 58160952 FJWUZZYTYCGGRN-UHFFFAOYSA-N 316.740 3.485 0 40 DGAB Clc1ccc(CNC[C@@H]2CNc3ccnn3C2)c(Cl)c1 58300198 XNJVQDOIQOCSDL-SNVBAGLBSA-N 311.216 3.021 0 40 DGAB CC(C)(NC(=O)Cc1cccs1)c1ccc2c(c1)OCCO2 58342628 VEOFXLCFFSHCHT-UHFFFAOYSA-N 317.410 3.113 0 40 DGAB CC(C)[C@@H](C(=O)N[C@@H](C)C1CC1)n1cnc2cc(F)c(F)cc21 61366380 YYOQJXORISFUAC-QFYYESIMSA-N 321.371 3.426 0 40 DGAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC[C@@H](O)C1 65585010 RXIXZURJISVYCO-OAHLLOKOSA-N 312.369 3.468 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 67086876 HDIFVGQMEWOJOT-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB C[C@H](Cn1cccn1)NCc1csc(-c2ccsc2)n1 69351206 HJXGVKDBQYHYBO-LLVKDONJSA-N 304.444 3.246 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)c1 69489759 WYIYFXMUDKEFKS-HOCLYGCPSA-N 315.417 3.369 0 40 DGAB CCC[C@@H](C)C(=O)NCc1cn2cc(Br)ccc2n1 69596809 UWVDBDBHEXYEQY-SNVBAGLBSA-N 324.222 3.149 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 69872750 VAXDVDBXWLNNBI-WMZOPIPTSA-N 309.413 3.085 0 40 DGAB C[C@H](OC1CCCC1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 70788396 IDCSRGXJWQOKRP-LBPRGKRZSA-N 317.364 3.298 0 40 DGAB COc1cccc(C(=O)Oc2ccc3c(c2)C(=O)CC3)c1OC 72238517 KUKAVZKADPXJAH-UHFFFAOYSA-N 312.321 3.052 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNCc2cccc(N(C)C)c2)o1 72274458 CUJWQLXMRIZPMB-UHFFFAOYSA-N 310.401 3.334 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1cnn(C)c1 72296015 AFNVDLDBIZZZSQ-AWEZNQCLSA-N 314.433 3.115 0 40 DGAB CC(C)c1csc([C@H]2CCCN(C(=O)C3=COCC3)C2)n1 72297286 IGTNOGZZWWWVKA-LBPRGKRZSA-N 306.431 3.277 0 40 DGAB Cc1ccc(CCC(=O)NCc2cc(Br)c[nH]2)cc1 72306802 XIAKKTRAVOJFLV-UHFFFAOYSA-N 321.218 3.335 0 40 DGAB Cc1nccn1-c1cncc([C@@H]2CCCN2Cc2ccccc2)n1 72378662 XOBIANGRWQIJEI-SFHVURJKSA-N 319.412 3.308 0 40 DGAB Fc1cccc(CCN(Cc2nnc(C3CC3)o2)C2CC2)c1 73166868 WJUWXRAZKXVAJN-UHFFFAOYSA-N 301.365 3.293 0 40 DGAB Cc1cc(CC(=O)NCc2ccccc2OCCC(C)C)no1 74546013 FYBFCVIWSGRZQS-UHFFFAOYSA-N 316.401 3.267 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](C)CCN2Cc2cc(=O)c(O)co2)o1 76120582 QZROQFRMADJREK-FZMZJTMJSA-N 303.358 3.220 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CC(=O)Cc2ccncc2)CC1 78132077 INGVBPVHEQQZKO-UHFFFAOYSA-N 318.417 3.230 0 40 DGAB CCc1noc(CN2CCC(CCc3ccc(O)cc3)CC2)n1 78253922 QJOLZROHBQXZEH-UHFFFAOYSA-N 315.417 3.182 0 40 DGAB COCC[C@@H](C)NC(=O)[C@H](C)c1ccc(Br)s1 79889718 UPJAYHPHICPOMW-RKDXNWHRSA-N 320.252 3.155 0 40 DGAB CC(C)(C)c1ncc(CNC[C@H]2CCCn3ccnc32)s1 84325313 QYWKORWPPHKTSA-GFCCVEGCSA-N 304.463 3.304 0 40 DGAB O=C(C1CCCCCC1)N1CCCN(c2nccs2)CC1 84618222 SQWROONEQUBPHY-UHFFFAOYSA-N 307.463 3.152 0 40 DGAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSCc1nc(C2CC2)no1 89927624 HSIOPBZNLIPBPO-YPMHNXCESA-N 323.462 3.217 0 40 DGAB CCN(C)c1ccccc1NC(=O)N1CC[C@@H](OCC(C)C)C1 89960896 CRJFAVCAXFBNPY-OAHLLOKOSA-N 319.449 3.422 0 40 DGAB Cc1ocnc1CNC(=O)Nc1ccnc(Oc2ccccc2)c1 92736008 VJQULBKVYBMGJY-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB O=C(c1ccc(-n2ccnn2)cc1)N(Cc1ccsc1)C1CC1 95444826 LFJYNCVNVYQNIK-UHFFFAOYSA-N 324.409 3.134 0 40 DGAB COc1cccc2cc([C@@H](C)NCCc3cnn(C)c3C)oc12 95988019 QEVDFOAADUIYOW-GFCCVEGCSA-N 313.401 3.377 0 40 DGAB Cn1cc(CNc2ncc(Cc3cccc(F)c3)s2)cn1 95990263 XNPAJBYDGNZLJN-UHFFFAOYSA-N 302.378 3.219 0 40 DGAB c1ccc(COC[C@@]23CCCO[C@@H]2CCN(C2CCC2)C3)nc1 96040274 NGZZMZXGBBFMBF-MOPGFXCFSA-N 316.445 3.022 0 40 DGAB C[C@@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccccc1F 96404938 UIBCVILTCVICCE-MLGOLLRUSA-N 315.344 3.261 0 40 DGAB Cc1cc(NC(=O)N(C)[C@@H]2CCCN(c3ccccc3)C2)on1 96406786 HSMSMODDFKWSEW-OAHLLOKOSA-N 314.389 3.116 0 40 DGAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cscn2)CC1 96425781 XDYVHWXFBQFDEY-RUXDESIVSA-N 308.447 3.343 0 40 DGAB Cc1cncc(C(=O)NC2(c3nc(C)cs3)CCCC2)c1 96431038 QSNRTRJVYKFNDV-UHFFFAOYSA-N 301.415 3.354 0 40 DGAB Cc1nc(CNC(=O)Nc2cccc(Oc3ccccc3)c2)no1 96434332 ACMHIGVKZXCEHO-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB O=C(Nc1cccnn1)N1C[C@@H]2CCCC[C@]21c1ccccc1 96489169 RPEWWRJMDNAHIH-YJBOKZPZSA-N 308.385 3.410 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NCc2noc(C3CC3)n2)cc1 97081916 QJAQKHSEMYNUOJ-LBPRGKRZSA-N 323.400 3.292 0 40 DGAB CN1C[C@@]2(C)CN(C(=S)Nc3ccccc3)C[C@](C)(C1)C2 100333276 RHDRZTNIKIGIQY-IRXDYDNUSA-N 303.475 3.047 0 40 DGAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102971515 CAZNOBGEIPLBKJ-SYQHCUMBSA-N 323.531 3.004 0 40 DGAB C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106574392 YHVDOUHWGXTRGX-OSFYFWSMSA-N 304.409 3.446 0 40 DGAB CC(C)(C)OC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@@H]1F 169805756 HZINXEXOXZZKRX-MMRAYRKESA-N 315.385 3.233 0 40 DGAB COc1cc(SC)ccc1NC(=O)CCc1cscn1 192690171 WYQBSMZVBAJGHN-UHFFFAOYSA-N 308.428 3.445 0 40 DGAB Cc1cc(NC(=O)c2cnns2)ccc1Oc1ccncc1 193701467 IJEVUSQINZUEOZ-UHFFFAOYSA-N 312.354 3.286 0 40 DGAB CCOc1ccc(C(=O)NCc2ccc(F)cc2)cc1COC 224691250 ANIPYLXYVLTHAE-UHFFFAOYSA-N 317.360 3.301 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CC 225131936 MGMBVGRTBDRXGV-INIZCTEOSA-N 304.434 3.038 0 40 DGAB CCc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1 225163830 JPWHCPVDDHHOCT-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB COc1ccc(CCCNC(=S)Nc2cccnc2)cc1 225558091 LEUFHQZGXDOQNO-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225675793 CUABMIWCUZSJAJ-YVZNUBBCSA-N 311.337 3.038 0 40 DGAB O=C(c1ccccc1)N1CC[C@H](CN(CC2CC2)C2CCC2)C1 253392410 BKGSFEJAPXWKJB-KRWDZBQOSA-N 312.457 3.413 0 40 DGAB Cc1csc(C(=O)N(C)[C@H]2CCCN(c3ccccn3)C2)c1 257207397 BHOLOPYHWXGFIR-AWEZNQCLSA-N 315.442 3.193 0 40 DGAB Cn1cncc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 257212878 CFHNTRVYKONZPD-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB Cc1ncc2cncc(C3CCN(C(=O)CC(C)(C)C)CC3)n12 257253018 JXGJDDXAVDWXKU-UHFFFAOYSA-N 314.433 3.180 0 40 DGAB CC(=O)OC(C)(C)C(=O)N[C@H](c1ccsc1)c1cccs1 390830998 OXZSHFJAKIDQBH-CYBMUJFWSA-N 323.439 3.357 0 40 DGAB C[C@@H](CC(=O)NC(C)(C)c1ncc[nH]1)Cc1cccc(F)c1 517035391 HVJYNJGUVRQKPD-GFCCVEGCSA-N 303.381 3.169 0 40 DGAB Cc1cncc(-c2nc(Cn3cnc4c3C[C@H](C)[C@@H](C)C4)no2)c1 575603189 NGAUOVDNNIFYFS-STQMWFEESA-N 323.400 3.056 0 40 DGAB CCc1ccc2occ(C(=O)NCc3cnnc(C)c3C)c2c1 585086017 LXBLZMPKRZMYGD-UHFFFAOYSA-N 309.369 3.332 0 40 DGAB CCOC1(c2nc([C@@]34OCCC[C@@H]3C4(F)F)no2)CCCC1 585120370 KAZRRTNKRVKBRN-HZMBPMFUSA-N 314.332 3.146 0 40 DGAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2ccc(Cl)cc2F)C1 1548935860 CJWKGMSTOPPIFE-TZMCWYRMSA-N 309.772 3.164 0 40 DGAB CN(C)S(=O)(=O)c1ccc(Oc2ccccc2Cl)cc1 74886 FBDATAICBTWDOE-UHFFFAOYSA-N 311.790 3.383 0 40 DGAB O=C(c1ccccc1)n1c(=O)oc2cc(Br)ccc21 360941 YGYBPTRJMOLGTC-UHFFFAOYSA-N 318.126 3.046 0 40 DGAB CCn1c(NC(=O)c2cn3ccc(C)cc3n2)nc2ccccc21 10651817 HXIPJNZXYYOSGR-UHFFFAOYSA-N 319.368 3.265 0 40 DGAB Cc1c(O)ccc2c(=O)c(-c3ccc4c(c3)OCCO4)coc12 5955549 YKOHPEAJECFKSC-UHFFFAOYSA-N 310.305 3.245 0 40 DGAB biogenic O=C(O)CSc1c(Cl)c(=O)oc2ccc(Cl)cc12 1565502 PHDSYBYVHJEGDY-UHFFFAOYSA-N 305.138 3.277 0 40 DGAB O=C(NCc1ccco1)[C@]1(c2ccccc2)CC1(Cl)Cl 4852540 UUCXDBMEKFHBOV-CQSZACIVSA-N 310.180 3.411 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cn1 71797003 HFJYJRVPSGQRGJ-HNNXBMFYSA-N 321.783 3.119 0 40 DGAB CCCN1C(=O)S/C(=C/c2cc3c(cc2C)OCO3)C1=O 6656263 WTJJXPZUKCHMIH-NTUHNPAUSA-N 305.355 3.170 0 40 DGAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 7928699 GECIOCSPDIZJNW-OAHLLOKOSA-N 309.365 3.208 0 40 DGAB Cc1cc(NC(=O)CCc2c(C)nc(=S)[nH]c2C)ccn1 8327258 YCDMGBZOWUQPNC-UHFFFAOYSA-N 302.403 3.031 0 40 DGAB Cc1c([C@H](C)NC(=O)c2cc3c(s2)CC[C@H](C)C3)cnn1C 36763503 QIXJYFAZUGVCIC-QWRGUYRKSA-N 317.458 3.406 0 40 DGAB COCc1cccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)c1 32817333 IMPZLNVPOWXZGB-OAHLLOKOSA-N 324.424 3.014 0 40 DGAB COc1cc(Br)ccc1-c1ccc(/C=C/C(N)=O)o1 57353761 IFRHBBBIMDFXSA-QPJJXVBHSA-N 322.158 3.216 0 40 DGAB CO[C@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 75138535 RZUFILMUPJGMKV-GXSJLCMTSA-N 322.405 3.470 0 40 DGAB C[C@H](CNC(=O)c1ccc(F)c(F)c1)N1CCc2ccccc21 33056314 UEJSHVIYULTSKM-GFCCVEGCSA-N 316.351 3.146 0 40 DGAB O=C(Nc1ccccc1)C1CCN(C(=O)c2cccs2)CC1 783889 BVTWFNLJORBECD-UHFFFAOYSA-N 314.410 3.239 0 40 DGAB CNC(=O)c1ccccc1OCc1coc(-c2ccccc2)n1 42120545 CTLLGAFWDFKNFZ-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB Cc1c(O)ccc2c(CN(C)Cc3ccccc3)cc(=O)oc12 54105938 XIVGYNCEYFXQKN-UHFFFAOYSA-N 309.365 3.439 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cncn2)cc1 104649557 BQUCIFFUPMZVGL-OHFALNGGSA-N 324.428 3.271 0 40 DGAB CCOc1ccccc1NC(=O)CSc1ccccc1N 27028439 DUYPTRCDXZOXHD-UHFFFAOYSA-N 302.399 3.398 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1 2737740 CRZMVVBSYZLCHT-HOTGVXAUSA-N 316.401 3.138 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)cc1 2737738 CRZMVVBSYZLCHT-JKSUJKDBSA-N 316.401 3.138 0 40 DGAB C[C@H](Oc1cccc(C(F)(F)F)c1)c1ccnc2ncnn12 1401838 YTCCATZUGASCNG-VIFPVBQESA-N 308.263 3.283 0 40 DGAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccccc2F)NC3=O)c1 1404801 XFKWQINMNXSJDT-INIZCTEOSA-N 323.327 3.057 0 40 DGAB O=C(NCCc1ccsc1)N[C@@H]1CCOc2ccccc21 46907426 ABPFURCFCXCPLP-CQSZACIVSA-N 302.399 3.114 0 40 DGAB O=C(Nc1ccc(C(=O)NCC2CCC2)s1)c1ccco1 26142664 TXCNAIACDKDUID-UHFFFAOYSA-N 304.371 3.123 0 40 DGAB CC(=O)N1CCc2cc(Nc3ncnc4sccc34)ccc21 12549947 WEEXQNKHSKZSBS-UHFFFAOYSA-N 310.382 3.344 0 40 DGAB CCN(Cc1ccc(O)cc1)C(=O)NCc1ccc(F)cc1 58290063 XXYUHLOLGQQGOY-UHFFFAOYSA-N 302.349 3.263 0 40 DGAB COc1ccc(C(=O)NCCc2csc(C)n2)cc1Cl 27991711 RCFMOLBDIHAHST-UHFFFAOYSA-N 310.806 3.086 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2nc3c(s2)CCC3)c1 12808221 CBSZWTLBSPYNCC-UHFFFAOYSA-N 302.399 3.266 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2cccc(F)c2)C1 67801288 PKADNTNWLFEQPF-OAHLLOKOSA-N 308.397 3.315 0 40 DGAB C[C@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 12945601 TVDNNBUOBUZMJY-NHYWBVRUSA-N 315.804 3.339 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(Cl)nc2)cc1 3511697 HDOGMZDGAZHXEW-LLVKDONJSA-N 303.745 3.472 0 40 DGAB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@]1(C)O 4143757 GIWADHSGRXSAST-ZACQAIPSSA-N 319.788 3.281 0 40 DGAB COC[C@@H](C)NC(=S)Nc1ccc(Br)c(C)c1 7785106 OXKHHUADSUELLD-SECBINFHSA-N 317.252 3.079 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1c[nH]c2ccccc12 5090523 IEDAPZSCFRXLGG-CHWSQXEVSA-N 314.385 3.114 0 40 DGAB CC(=O)Nc1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 24515372 JAJVMKYOAJRHFE-SFHVURJKSA-N 323.396 3.077 0 40 DGAB C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)CCCC3)C[C@@H](C)O1 14066748 OLOIHONIOQSBRJ-OKILXGFUSA-N 324.424 3.363 0 40 DGAB CCN(CC)Cc1ccccc1CNCc1c(C)n[nH]c1C 65512376 ODNMZYQTQVOSFY-UHFFFAOYSA-N 300.450 3.158 0 40 DGAB Cc1cc(C)cc(N(C)C(=O)c2cccc(N3CCNC3=O)c2)c1 65620513 IYVSAVMZGPNEPN-UHFFFAOYSA-N 323.396 3.110 0 40 DGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1ccccc1Br 5679756 VAEQUGGDYIQASA-UWVGGRQHSA-N 324.174 3.055 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)Cc1ccc2c(c1)OCCO2 6936370 PKIMQZCEEICFHT-UHFFFAOYSA-N 323.392 3.288 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 69512781 MPKNRTYWZPEPOM-OLZOCXBDSA-N 321.490 3.139 0 40 DGAB O=C(CCC1CC1)Nc1cccn(Cc2ccc(F)cc2)c1=O 89767997 MLNNDTVONCZZEG-UHFFFAOYSA-N 314.360 3.164 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)NCCNC(C)=O)c(C)c1 69618450 OLAIXQUDNKHKTH-GFCCVEGCSA-N 323.462 3.143 0 40 DGAB O=C(CCc1cc(F)ccc1F)N1CCCC[C@@H]1c1cn[nH]c1 89768481 CDWXLJVNHVREJP-MRXNPFEDSA-N 319.355 3.374 0 40 DGAB Cn1c(SC[C@H]2CCCCO2)nnc1-c1ccccc1F 69898347 TVAURJCVJNIRCO-LLVKDONJSA-N 307.394 3.282 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)c(OC)c1 9592781 GBSOCMLENPFNAM-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB C[C@@H](OC[C@@H](O)CNCc1ccco1)c1ccc(Cl)cc1 9579360 KLNOGOPYBVDDRJ-DOMZBBRYSA-N 309.793 3.161 0 40 DGAB CC(C)c1n[nH]c(SCc2nc(-c3ccsc3)no2)n1 9049899 JJJBEOWGENABAV-UHFFFAOYSA-N 307.404 3.332 0 40 DGAB COc1ccc(CNC(=O)c2ccc3[nH]ccc3c2)cc1OC 9183879 AEMUJZUMRCMWKO-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB CCOc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1OC 9115431 SZFXSOXWWWWZOA-UHFFFAOYSA-N 311.341 3.223 0 40 DGAB NC(=O)CNc1cc(C(F)(F)F)ccc1NC1CCCCC1 9218811 YEVMYTVDQWYNAV-UHFFFAOYSA-N 315.339 3.347 0 40 DGAB Cc1cc(NC(=O)CNc2ccccc2SC(F)F)no1 9220940 FIRLQSPJESCANO-UHFFFAOYSA-N 313.329 3.348 0 40 DGAB COCCC1(CNC(=O)Nc2cccc([C@@H](C)OC)c2)CC1 89905248 KSUYVNLGJNDQMV-CYBMUJFWSA-N 306.406 3.332 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1[nH]nc(C2CC2)c1Cl 89969189 FEFHFYIUKRPODB-UHFFFAOYSA-N 309.719 3.355 0 40 DGAB CCOc1ncccc1C(=O)N1CCCC[C@H]1c1nccs1 72298559 SLGPEFJFDLCYCT-ZDUSSCGKSA-N 317.414 3.304 0 40 DGAB O=C(Nc1ccsc1)c1ccc(OCC(F)(F)F)nc1 97002226 NKNKADHSAAJLCR-UHFFFAOYSA-N 302.277 3.337 0 40 DGAB Cc1nnc(-c2ccccc2-c2nc(-c3ccccn3)no2)o1 97098293 JDODFTDEEJFMAN-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1 78934119 AQVXEUVEFHTRBE-ZBFHGGJFSA-N 307.459 3.425 0 40 DGAB CC(C)(C)c1nnc(NCc2ccc(-n3ccnc3)c(F)c2)o1 97375469 NHVRWQDAEJEGPU-UHFFFAOYSA-N 315.352 3.304 0 40 DGAB Cc1ccc(CNc2ccc(CS(=O)(=O)C(C)C)cc2)nc1 95428922 JIAQOIFGYHWXIJ-UHFFFAOYSA-N 318.442 3.325 0 40 DGAB CCCCOCCOC(=O)[C@@H](c1ccccc1)N(CC)CC 95468936 VQNYKMQZYQVXSF-QGZVFWFLSA-N 307.434 3.429 0 40 DGAB c1cncc(-c2ccc(CNCCc3cn4c(n3)CCCC4)o2)c1 97922861 OZRGKAGZIWJNCF-UHFFFAOYSA-N 322.412 3.207 0 40 DGAB Cc1cccc([C@@H](NC(=O)Nc2cccnn2)c2ccccn2)c1 95980590 LIPHEQOXWBOCKZ-QGZVFWFLSA-N 319.368 3.091 0 40 DGAB COc1nc2ccccc2cc1CNc1cccc(NC(N)=O)c1 95978514 GKBULRQLEPYGTF-UHFFFAOYSA-N 322.368 3.346 0 40 DGAB O[C@@H]1CCCC[C@H]1NC1CCN(Cc2ccccc2Cl)CC1 95967959 YJUDVJKXFHVFQC-QZTJIDSGSA-N 322.880 3.198 0 40 DGAB C[C@@H](C1CC1)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1 74278776 ACIOLYLVXFZYGJ-AWEZNQCLSA-N 324.428 3.345 0 40 DGAB O=C(O)c1cc(I)cc(C(F)(F)F)c1 34616858 WKBZOFRUGGDTEU-UHFFFAOYSA-N 316.016 3.008 0 40 DGAB CCCc1nc(NCc2ccncc2)c2c(n1)c(C)nn2CC 72239356 NYIYJVVQQRTLHO-UHFFFAOYSA-N 310.405 3.114 0 40 DGAB Cc1cc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c(N)c1 216934415 USIHDBBWPPCMII-UHFFFAOYSA-N 310.806 3.340 0 40 DGAB CSc1ncccc1C(=O)NCCSCc1ccco1 32667727 WULNPVYGILFYGF-UHFFFAOYSA-N 308.428 3.060 0 40 DGAB COc1ccccc1-c1cc(-c2ccccc2OC)nc(N)n1 71978103 RYLDYWGYBRQVKK-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB COc1ccccc1CCNC(=O)Nc1ccc(F)c(F)c1 40097607 ABKGNWRGQHKEFG-UHFFFAOYSA-N 306.312 3.338 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)c1 44905095 ZXHTVZLFLANLFP-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB COc1ccc(S(=O)(=O)NCc2ccc(C)cc2)c(C)c1C 225853408 FUYHHJJISSSINI-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB COc1ccccc1[C@@H]1SCC(O)=Nc2c1c(C)nn2C 44900929 WOUKTPAUVVPDGZ-AWEZNQCLSA-N 303.387 3.161 0 40 DGAB COc1ccc(CCCNC(=O)COc2cccc(C)c2)cc1 222754053 ZWBCVTPMZLYDAO-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COCc1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1 40108290 UNZQZSPAQKEBAX-YOEHRIQHSA-N 305.418 3.158 0 40 DGAB O=C(Nc1ccncc1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 89262712 UNKNYCBOWRWOMA-LSDHHAIUSA-N 317.776 3.387 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1C 223192409 KUADRCOTRQKUEJ-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB COc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)c(C)c1 225916445 VSVMQQBOOIMLJW-UHFFFAOYSA-N 319.401 3.266 0 40 DGAB O=C(CCC1CCCC1)N1CCN(C[C@H]2CC=CCC2)CC1 49949255 ZOININOYIASADC-SFHVURJKSA-N 304.478 3.457 0 40 DGAB CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@H](C)c1cncc(F)c1 330912811 HZODFWCZYRDCAR-XJKCOSOUSA-N 308.397 3.383 0 40 DGAB COc1cccc2c1N(Cc1nnc(-c3ccco3)o1)CCC2 96443271 UIPUKOWMIDWQFP-UHFFFAOYSA-N 311.341 3.291 0 40 DGAB Cc1cc(C(=O)NCC(C)C)ccc1NC[C@@H]1CCCOC1 331177896 LRYYPXAPOILMML-HNNXBMFYSA-N 304.434 3.219 0 40 DGAB CCn1c(NC(=O)[C@@H]2C[C@H]2c2ccsc2)nc2cccnc21 529425051 UOLKZKHIQWRSSB-NWDGAFQWSA-N 312.398 3.255 0 40 DGAB Cn1cc(C(=O)Nc2ccc(-n3ncc4ccccc43)cc2)cn1 95463174 CRLVGRJGIRICCQ-UHFFFAOYSA-N 317.352 3.011 0 40 DGAB O=C(CCc1ccco1)NCCc1nc(C(F)(F)F)cs1 96432828 JZKAHRHVXUPJDD-UHFFFAOYSA-N 318.320 3.046 0 40 DGAB O=C(c1cncc(Cl)c1)N1CCC[C@@H](c2ccncc2)C1 582492177 QMCFWYAINYRIJX-CYBMUJFWSA-N 301.777 3.150 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)CCOc3ccccc3)CC[C@@]2(C)C1 257252284 JUFNSFSYKTVMEQ-LMMKCTJWSA-N 317.429 3.262 0 40 DGAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1c[nH]cc1C 585088367 YFORGZPWRSNDSQ-SJLPKXTDSA-N 309.413 3.080 0 40 DGAB COc1ccccc1C1=NCC(=O)N(C)c2ccc(Cl)cc21 675082262 PLSKGUKSIDTEPG-UHFFFAOYSA-N 314.772 3.162 0 40 DGAB O=S(=O)(Oc1ccc(OCC2CC2)cc1)c1cccs1 49480770 DHQJKKCRZKFJNN-UHFFFAOYSA-N 310.396 3.305 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ncoc1-c1cccs1 12115114 ISKWCKCPKAYAJF-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB CCc1nc(NC(=O)c2cc(-c3ccccn3)n[nH]2)sc1C 12147282 KQGDZOIIHDPKNQ-UHFFFAOYSA-N 313.386 3.051 0 40 DGAB CCCC(=O)N1CCN(c2nc3c(Cl)cccc3s2)CC1 4583496 XACSQGNKUZRTGJ-UHFFFAOYSA-N 323.849 3.398 0 40 DGAB NCc1cc(-c2cnc(C(F)(F)F)nc2)ncc1C(F)(F)F 1911530917 MSEQOIJBYWMTFD-UHFFFAOYSA-N 322.212 3.035 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1cc2ccccc2o1 7613789 NTLAEWWYQFWMAR-UHFFFAOYSA-N 300.339 3.106 0 40 DGAB Cc1ccccc1OCC(=O)NCc1cncc(-c2ccoc2)c1 575620413 MZMVTXUCVJSPSZ-UHFFFAOYSA-N 322.364 3.345 0 40 DGAB CC(C)C(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 58421414 ULTASUYYNAABQP-CYBMUJFWSA-N 317.364 3.238 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)c1C 260487 HJXHYRPCFPEXSN-INIZCTEOSA-N 318.417 3.499 0 40 DGAB CCC1=NN(C(=O)c2cccc(OC)c2)[C@](O)(c2ccccc2)C1 342791 TXAZRSCBIKBODV-LJQANCHMSA-N 324.380 3.152 0 40 DGAB C[C@@H](CCc1ccco1)N(C)S(=O)(=O)Cc1ccccc1 2380871 PPPQADGLUGLXQM-AWEZNQCLSA-N 307.415 3.063 0 40 DGAB Cc1cc(CNC(=O)COc2ccc3c(c2)CCC3)ccc1F 10999751 VWYOHHPCXWPCIP-UHFFFAOYSA-N 313.372 3.318 0 40 DGAB O[C@@H](c1cccnc1)[C@@H](CCc1ccccn1)c1ccccn1 1562926 LSZHEKVMJRHLKW-HKUYNNGSSA-N 305.381 3.322 0 40 DGAB O=C(COc1ccc(Cl)c2ccccc12)Nc1nncs1 21214811 PQJYMVPKFFHZLK-UHFFFAOYSA-N 319.773 3.362 0 40 DGAB Cc1ccc(CN2CCCN(C(=O)c3ccc(C)nc3)CC2)cc1 36843539 WQCPYKPZJFHJBJ-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB C[C@@H](CNC(=O)Nc1cc(F)cc(F)c1)N1CCCC[C@H]1C 45985979 NDMNDYQINJDEOO-NEPJUHHUSA-N 311.376 3.349 0 40 DGAB CC(C)n1ncc2cc(C(=O)N3CCc4ccccc43)cnc21 11772118 KSSPUKZLXRFFKO-UHFFFAOYSA-N 306.369 3.215 0 40 DGAB CSc1nnc(-c2ccc(I)cc2)o1 9200490 VPDLOZIZMANFHB-UHFFFAOYSA-N 318.139 3.063 0 40 DGAB COc1c(Cl)cc(NC(=O)c2cnc(C)cn2)cc1Cl 69351611 DPWXKTYHTNWVLQ-UHFFFAOYSA-N 312.156 3.353 0 40 DGAB Cc1ccc([C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 53212946 BAMJMSJAEZBDJX-LBPRGKRZSA-N 313.426 3.486 0 40 DGAB Cc1csc(CNC(=O)/C=C/c2ccccc2OC(F)F)n1 29886064 QMYFSIHRKQAXCK-VOTSOKGWSA-N 324.352 3.383 0 40 DGAB CCCN(C(=O)[C@@H]1COCCO1)[C@@H](C)c1cc2ccccc2o1 53371496 MZYHIHGAUUBBPW-GUYCJALGSA-N 317.385 3.148 0 40 DGAB CC(C)(C)[C@@H]1CCc2sc(C(=O)Nc3nc[nH]n3)cc2C1 23143340 JTNQVMQMWJZODL-SNVBAGLBSA-N 304.419 3.270 0 40 DGAB Cc1cc(C(=O)OCc2nnsc2Cl)c(C)n1C1CC1 20975855 BAPXUDBKQSGWCN-UHFFFAOYSA-N 311.794 3.302 0 40 DGAB COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621880 XSVHECDLKBVVBE-GBESFXJTSA-N 312.457 3.025 0 40 DGAB C[C@@]1(C(=O)Nc2cccc(Cn3ccnc3)c2)CC1(Cl)Cl 25263886 CUXKIEQIZFDUSG-AWEZNQCLSA-N 324.211 3.454 0 40 DGAB Cn1cc(NC(=O)COc2ccccc2-c2ccccc2)cn1 25311107 GYZYWRWXUOOWDB-UHFFFAOYSA-N 307.353 3.105 0 40 DGAB CN(C)[C@H](CNC(=O)CCCc1cccs1)c1ccccc1 25419514 MLDWPLKHSHIETC-QGZVFWFLSA-N 316.470 3.490 0 40 DGAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCC1 20453882 WISLNHMAYJHMNA-OAHLLOKOSA-N 324.852 3.100 0 40 DGAB CCC(O)(CC)CNC(=O)Nc1ccccc1C(F)(F)F 58228312 JXCUYPLXWRSGNW-UHFFFAOYSA-N 304.312 3.378 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@H]2CCCO2)c(C)n1Cc1ccco1 27868408 AIMVIIRULDPTGG-SUMWQHHRSA-N 316.401 3.044 0 40 DGAB C[C@H](c1ccccc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 12854485 JPDYRSPQRXNDDK-SNVBAGLBSA-N 321.306 3.341 0 40 DGAB CCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 12942842 UBFMELCKONIWMW-UHFFFAOYSA-N 322.714 3.166 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1OC 113960165 YQPPXCXOAIFSQG-KRWDZBQOSA-N 313.397 3.477 0 40 DGAB COc1ccc(C(=O)NCCCCc2ccccc2)c(OC)c1 6127311 RRWLOFJFUCOSRP-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB CCNC(=O)c1ccccc1NC(=O)c1ccccc1Cl 14012832 YVOSHQWFGISWIH-UHFFFAOYSA-N 302.761 3.342 0 40 DGAB Cc1cccc(OCCCNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)c1 65538947 YCGWSMBUODOKPX-IXDOHACOSA-N 318.461 3.141 0 40 DGAB CC(C)C(=O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 4703793 LLQFHNCLZOWULS-UHFFFAOYSA-N 315.325 3.142 0 40 DGAB COc1ccc(CCC(=O)Nc2nnc(C(C)C)s2)cc1 4732315 UFALLFWNMZAGIH-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB COc1cc(F)cc2sc(NC(=O)c3ccnc(F)c3)nc12 69656779 LTILKRLZAXUVKD-UHFFFAOYSA-N 321.308 3.230 0 40 DGAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)NCc1cccs1 7059372 OKNQOXJKQHVNFY-SNVBAGLBSA-N 317.439 3.421 0 40 DGAB C[C@@H](NC(=O)CN1CCCCCC1)c1cc2ccccc2o1 7339650 OIADFEDNJNQHDR-CQSZACIVSA-N 300.402 3.486 0 40 DGAB CCn1cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)cn1 28236954 YDPDDLSZSSNSBC-CQSZACIVSA-N 308.385 3.185 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1 19736198 YEGCSUZEQYFZCY-SNVBAGLBSA-N 320.776 3.337 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)NCCCc2ccc(O)cc2)C1 96462972 FLHXUXPFSHUSEK-HOCLYGCPSA-N 322.474 3.250 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@H]2Cc2ccc(F)cc2)on1 71847688 RFEIYJIFTNIBOI-HNNXBMFYSA-N 302.349 3.360 0 40 DGAB C[C@@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 89905065 WSOBWNKYEJGMLB-ACJLOTCBSA-N 300.446 3.083 0 40 DGAB c1ccc(Cc2nnc(NCCc3cscn3)s2)cc1 97085967 POAZBERZOGSWKC-UHFFFAOYSA-N 302.428 3.240 0 40 DGAB Cc1noc([C@@H](C)N2CCC(Sc3ccccn3)CC2)n1 72308942 XDCNNWJOTAVEPC-LLVKDONJSA-N 304.419 3.091 0 40 DGAB C[C@H](Oc1ccc(C(N)=O)cc1)c1nc(-c2cccs2)no1 72305373 GXJFKCMTKSDGQK-VIFPVBQESA-N 315.354 3.037 0 40 DGAB O=S(=O)(NC(C1CC1)C1CC1)c1cccc(C(F)(F)F)c1 24474843 AICRBNCZNIEXFX-UHFFFAOYSA-N 319.348 3.172 0 40 DGAB CC[C@H]1CN2CCC[C@@H]2CN1Cc1cnc(CC(C)C)s1 95468634 QGSLXSGUZBEJMH-LSDHHAIUSA-N 307.507 3.400 0 40 DGAB Cc1cnc([C@@H](NC2CCN(CC3CC3)CC2)C2CC2)s1 95423340 SXGCRXSKDWQYOJ-INIZCTEOSA-N 305.491 3.367 0 40 DGAB COC(=O)C1=C(C)O[C@H](CN[C@H](C)c2ccc(Cl)cc2)C1 95446908 XSOXYMCLBXLXSF-YGRLFVJLSA-N 309.793 3.227 0 40 DGAB CCC(=O)Oc1ccc2c(c1)c(C(=O)OC)c(C)n2C1CC1 84718704 SJSZORXJDGWANV-UHFFFAOYSA-N 301.342 3.387 0 40 DGAB CC(C)[C@@H](C)CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95969540 FIXAVXJMCSOBRA-HNNXBMFYSA-N 317.429 3.314 0 40 DGAB O=c1ccc(-c2ccc(Cl)cc2)nn1CN1CCCCCC1 79485928 XEOMQIDGIDMKNH-UHFFFAOYSA-N 317.820 3.397 0 40 DGAB Cc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F)c1 408720023 IVHXVONENTYDNJ-GFCCVEGCSA-N 316.323 3.027 0 40 DGAB O=C(N[C@H]1CCc2ccc(F)cc21)c1cnc(O)c2ccccc12 527290430 TZOGOTCLDYXEOS-KRWDZBQOSA-N 322.339 3.497 0 40 DGAB COc1cc(F)c(NC(=O)Cc2ccccc2C)cc1OC 78654024 ISMVBGOFXMJABA-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB O=C(c1ccco1)N1CC[C@@H](Oc2cccc3cccnc23)C1 225704720 ZNCGWIYVYQSLPJ-CQSZACIVSA-N 308.337 3.121 0 40 DGAB CC(C)CCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222759957 MZPGGEKIGUUADU-MRXNPFEDSA-N 318.461 3.222 0 40 DGAB Cc1cccnc1C(=O)c1cccc(I)c1 45028667 DILQLDPYIKJXNF-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225790279 IIGVHTFAISADHD-QGZVFWFLSA-N 323.389 3.014 0 40 DGAB CCSCc1cccc(NC(=O)N2CC[C@@H](C)[C@@H]2CO)c1 225507537 QOEZBKRXWUVSAA-DOMZBBRYSA-N 308.447 3.174 0 40 DGAB Cc1ccc(CNc2cccc(CN3CCC(CO)CC3)c2)o1 86258366 ZOXNUSORCPLEIF-UHFFFAOYSA-N 314.429 3.404 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1cccc(-c2ncc(C)o2)c1 96434779 QYYOUSICZIVLCA-HNNXBMFYSA-N 315.373 3.293 0 40 DGAB C[C@H](NC(=O)c1c(F)cccc1Br)c1cccnc1 96454164 AUEBBTJSHPIGNF-VIFPVBQESA-N 323.165 3.474 0 40 DGAB Nc1nc2ccc(Br)c(Br)c2s1 95950104 WABIJULFYFGUGM-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB COC(=O)[C@H](Nc1cnn(C)c1)c1cccc(Cl)c1Cl 97377338 AKEJZXWYNXQQSX-GFCCVEGCSA-N 314.172 3.053 0 40 DGAB COc1cc([C@@H](C)N[C@H]2CCc3nc(C)cn3C2)ccc1F 96489379 AKAAWMPZMUVNBJ-OCCSQVGLSA-N 303.381 3.005 0 40 DGAB CCOC(=O)[C@@H](CN)[C@@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 242581711 OCKDPBVSIVVMTJ-LTDCPUDJSA-N 324.509 3.051 0 40 DGAB COc1ccc(CC(=O)N2CCC(Cc3ccncc3)CC2)cc1 257317959 VLWZBXGCIPVITF-UHFFFAOYSA-N 324.424 3.114 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253476863 BTIIZGYDRCRTFM-FAJBIJEISA-N 309.494 3.311 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@@H]2c2ncn3ccsc23)no1 257243904 IJAZKNAYWKFPBK-GFCCVEGCSA-N 316.386 3.060 0 40 DGAB CN1CCC(CCc2ccnc(NC(=O)c3ccccn3)c2)CC1 257304543 SMCXDJHWXFXUEV-UHFFFAOYSA-N 324.428 3.003 0 40 DGAB Cn1ccnc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 257278556 OCRYBMARKRHVFE-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)[C@H]2CC=CCC2)CC1 42127314 QHHLMPVFKPEIOW-KRWDZBQOSA-N 312.457 3.432 0 40 DGAB CC(C)CN(C(=O)NC1CCN(c2ccccn2)CC1)C(C)C 70009699 OBYDMXGGEFDGFJ-UHFFFAOYSA-N 318.465 3.126 0 40 DGAB CCc1ccccc1NC(=O)c1nn(CC)c(=O)c2ccccc12 5616226 KMQHEVPLQLXXDF-UHFFFAOYSA-N 321.380 3.231 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@@H]1C)CC1(CCOCC1)O2 12337451 WNWBDFOCJJTNMC-SQWLQELKSA-N 315.413 3.140 0 40 DGAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccs1 14006055 QZGBEPIXBXAIIG-UHFFFAOYSA-N 312.803 3.234 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ncc(Cl)cc2Cl)cc1 16310423 FVLZSRUFDBXXPP-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccncc1 187041570 GCUGFNPEGBPAKR-BLLLJJGKSA-N 316.788 3.337 0 40 DGAB O=C(Sc1nnnn1-c1ccccc1)c1ccc(Cl)cc1 5604628 RXBZZGBHBOZXMD-UHFFFAOYSA-N 316.773 3.248 0 40 DGAB CCOC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 85136 JZIGHFPBSMTISM-UHFFFAOYSA-N 324.332 3.402 0 40 DGAB biogenic COc1cc(CNC(=O)N[C@@H](C)c2ccc(Cl)cc2)ccn1 26306700 DEEPSHSDFXDMHM-NSHDSACASA-N 319.792 3.304 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(Cc2cc(C3CC3)on2)C1 2087130953 POFUOIOABGWNKF-OAHLLOKOSA-N 319.449 3.021 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)nn2-c2ccccc2)cc1 13701114 GXBXOPSTFRBHAD-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB Cn1ncc2c(NCc3cc(-c4ccco4)cs3)ncnc21 1775972210 DASXSBWAKWNPDI-UHFFFAOYSA-N 311.370 3.297 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CCc1cccc(Cl)c1)C(=O)O 95749094 LGFFGTSHJOANJT-GFCCVEGCSA-N 313.781 3.251 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)OC(C)C 136049 PRMUSLCYUHKRLC-LSDHHAIUSA-N 301.386 3.468 0 40 DGAB Cc1ccccc1OCc1nc2c3ccccc3nc(S)n2n1 424902 VGJDTYQSKRPDTF-UHFFFAOYSA-N 322.393 3.454 0 40 DGAB CC(C)COn1c(SCC(C)C)nc2ccccc2c1=O 529662 MMVZHOIIEILISS-UHFFFAOYSA-N 306.431 3.229 0 40 DGAB c1ccc(Cc2nn3c(Cc4ccccc4)nnc3s2)cc1 1016487 MDJOPGOMIOFSFP-UHFFFAOYSA-N 306.394 3.367 0 40 DGAB OC(CNc1ncccn1)(Cc1ccccc1)Cc1ccccc1 1606749 FOKXGDXZGWKRIJ-UHFFFAOYSA-N 319.408 3.105 0 40 DGAB Cc1nc(NC[C@H]2CCCO2)c2c3c(sc2n1)CCCC3 3069121 HJOIGETYHHCZBH-LLVKDONJSA-N 303.431 3.469 0 40 DGAB Cc1csc(S[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 3405753 LOHMPVKQCIDKCL-SECBINFHSA-N 322.411 3.300 0 40 DGAB CCOc1cc(CNC2CC(C)(C)NC(C)(C)C2)ccc1OC 4653744 XJLFIBNPZVPBPE-UHFFFAOYSA-N 320.477 3.493 0 40 DGAB O=C(OCc1cc(Cl)cc2c1OCOC2)c1ccccc1O 5078230 HYSFNKPDLAKQJP-UHFFFAOYSA-N 320.728 3.269 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1c(C)cccc1C 6064150 BXSJHOPGTRYYLI-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(F)c(F)c2)C1=O 6938825 CLMONJRCGHTZDH-CQSZACIVSA-N 316.307 3.017 0 40 DGAB Sc1nnc(Cc2ccc(Cl)cc2)n1-c1cccnc1 8993275 FHGVYUQNOGEAEB-UHFFFAOYSA-N 302.790 3.195 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2ccc(F)cc2)cc1 11027389 FFNQPPVKQUFWCT-UHFFFAOYSA-N 300.377 3.254 0 40 DGAB O=C1N[C@H](c2ccc(O)c(Br)c2)Nc2ccccc21 12533773 VNKVVKZDHIQVQO-CYBMUJFWSA-N 319.158 3.009 0 40 DGAB CCONC(=O)c1sc2nc(C(C)(C)C)nc(C)c2c1C 12906158 GOTMEMXFYDMCIG-UHFFFAOYSA-N 307.419 3.287 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1ccccc1F 12917744 XBEFDSZXJLQPQG-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB CCOc1ccc2nc(SCC(=O)N[C@@H](C)C(C)C)[nH]c2c1 12969485 CYUJFTIZXIJUCA-NSHDSACASA-N 321.446 3.214 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCCC1 13710082 DGOLYTCAMAIGKR-AWEZNQCLSA-N 324.852 3.100 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccccc1N1CCCC1 14094991 UZVVVFOARVFCJT-UHFFFAOYSA-N 301.434 3.101 0 40 DGAB Cc1ccc(Cn2cc(C(N)=O)c(-c3ccc(C)cc3)n2)cc1 14201485 MEFAIHXWITXILR-UHFFFAOYSA-N 305.381 3.314 0 40 DGAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 15331018 ZZSSUGXHEBPWDF-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB Clc1ccc(COc2cccc(N3CCNCC3)c2)cc1 19688546 FYQXZZXVHZLCKV-UHFFFAOYSA-N 302.805 3.329 0 40 DGAB in-vitro O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)C1CCC1 22968410 YDTDMIZVJFVZSX-UHFFFAOYSA-N 306.837 3.221 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CCCN(C(=O)c2ccco2)C1 25315709 KGJCYJHFPWONEC-AWEZNQCLSA-N 312.369 3.079 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(-n3ccc(C)n3)cc2)cc1 28303485 RGZVPQPIMLNSRA-UHFFFAOYSA-N 321.380 3.371 0 40 DGAB Cc1cc(C)c2cc(C(=O)OCC(=O)OC(C)(C)C)[nH]c2c1 28463879 NPENLYFIVYSGFY-UHFFFAOYSA-N 303.358 3.283 0 40 DGAB O=C(c1ccoc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797804 MGEVAOKRFMMLMA-OAHLLOKOSA-N 313.353 3.418 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc(C(=O)O)cc1 30849286 MPBADOFCSAGGEZ-GFCCVEGCSA-N 313.353 3.353 0 40 DGAB c1ccc2c(c1)OC[C@@H](CNCc1cccc3cccnc13)O2 32899493 HIYOMLKCLCXLLB-MRXNPFEDSA-N 306.365 3.164 0 40 DGAB O=C(Nc1cccc(-c2cnco2)c1)c1n[nH]c2ccccc12 34126820 FMIVGPRCYIMOGZ-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB O=CNCCc1nc2ccccc2n1Cc1cccc(Cl)c1 35145401 VTVHOWHNDQPHBS-UHFFFAOYSA-N 313.788 3.027 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)CO1 36075978 KSBJZNDHTOCIGJ-SNVBAGLBSA-N 301.308 3.345 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2cccc(-n3ccnc3)c2)c1 40119360 GIZCLMMDGHOWNS-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB O=C1Nc2ccccc2[C@H]1Cc1cc(Cl)c2c(c1)OCO2 40283224 NMDAYRNUGMQSOP-LLVKDONJSA-N 301.729 3.347 0 40 DGAB CNc1ccccc1C(=O)Nc1ccc(Cl)c(C(=O)O)c1 42033463 HELQRUHPOBCBQJ-UHFFFAOYSA-N 304.733 3.332 0 40 DGAB O=C(CCOc1ccc(F)cc1)N(Cc1ccncc1)C1CC1 42391031 JEQHWCDHEBODHU-UHFFFAOYSA-N 314.360 3.181 0 40 DGAB CC(C)(C)c1cc(I)cc(C(=O)O)c1 42689519 MKMRQBVKCBAPSH-UHFFFAOYSA-N 304.127 3.287 0 40 DGAB in-vitro COCc1ccccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 44550712 YYTZGBHXMNTPBZ-PXAZEXFGSA-N 313.353 3.000 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cnns2)cc1 47623744 HAGLPMAGCWFFNF-AWEZNQCLSA-N 317.414 3.304 0 40 DGAB CCOC(=O)/C=C/c1ccc(NC(=O)NCCC(C)C)cc1 48065958 XHCZYXNVTGWRQZ-JXMROGBWSA-N 304.390 3.431 0 40 DGAB O=C(NCc1cccs1)c1ccc(OCC(=O)C2CC2)cc1 49027488 GRYLXZQWQUHLNK-UHFFFAOYSA-N 315.394 3.036 0 40 DGAB Cc1nn(CCC(=O)NCc2cccc(F)c2)c2ccccc12 57280009 KLCLIYWNSRFNJU-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB CC[C@@H](NCc1c(C)nn(C)c1N(C)C)c1ccccc1OC 58405573 RBHKIYZUSVHKJZ-MRXNPFEDSA-N 316.449 3.044 0 40 DGAB CN(C)c1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 65184315 OOOTUUOWEPXZFJ-UHFFFAOYSA-N 316.788 3.332 0 40 DGAB CCc1nc(CN2CC[C@H](CNc3cc(C)ccn3)C2)cs1 65542378 SRPWGPJIQNMQFS-CQSZACIVSA-N 316.474 3.343 0 40 DGAB CC(=O)Nc1ccc(C)cc1NS(=O)(=O)c1ccc(C)cc1 68077193 OJZSQQTYJMGIFR-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2cc3nc(C)ccc3o2)c1 69349410 JBWKMHOVOGUMDA-UHFFFAOYSA-N 323.352 3.138 0 40 DGAB Cc1ccccc1C(C)(C)CNC(=O)CSc1nncs1 69485031 HSKPAWSZALRJBJ-UHFFFAOYSA-N 321.471 3.033 0 40 DGAB CCSc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)c1 69894677 XBWLVTHWLRJUTE-UHFFFAOYSA-N 322.817 3.403 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccco1)N1CC=C(c2ccc(O)cc2)CC1 70013602 BFRPDICWCIVGOA-IAGOWNOFSA-N 309.365 3.405 0 40 DGAB CCOC(=O)c1cc2cc(I)ccc2o1 71256404 QMGTZFYWQVHIAV-UHFFFAOYSA-N 316.094 3.214 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c1 71796959 RTFLKNNTFQJXBP-INIZCTEOSA-N 315.442 3.260 0 40 DGAB Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccco3)c12 71799696 IGCDJOVVHUGKNG-UHFFFAOYSA-N 311.385 3.453 0 40 DGAB CC(C)(C)OC(=O)N(c1ccc([C@@H]2CCCN2)cn1)C1CC1 72215304 XZHSXXUPIUAWCO-AWEZNQCLSA-N 303.406 3.410 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72298966 HLOMIYCLKHKQMG-ZDUSSCGKSA-N 319.430 3.005 0 40 DGAB COCC(=O)N1CCC[C@@H](c2cccc(Cc3ccccc3)n2)C1 72349258 MCSJHJXROWNHPG-QGZVFWFLSA-N 324.424 3.025 0 40 DGAB Cc1nc2cc(C(=O)NCCc3c[nH]c4ccccc34)ccc2[nH]1 74705200 LAPSKQKDASEWCA-UHFFFAOYSA-N 318.380 3.325 0 40 DGAB O[C@H]1CCN(c2nc(C3CC3)nc3sc4c(c23)CCCC4)C1 78495656 ANAJUJXRCIYEGH-NSHDSACASA-N 315.442 3.019 0 40 DGAB COc1ccc([C@H](CC(C)C)NC(=O)C2CCN(C)CC2)cc1 78578646 VCBGIVLLQXDAFE-SFHVURJKSA-N 318.461 3.240 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1Cl 78898155 JIYOVAYKOHNFAO-WBMJQRKESA-N 306.837 3.077 0 40 DGAB C[C@H](CCNC(=O)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 78966947 RIYGUDWSHHKEEU-YPMHNXCESA-N 315.335 3.352 0 40 DGAB CCOc1ncc(C(=O)N[C@H](C)c2nccs2)cc1Cl 78996465 YAETXQMPGPJICV-MRVPVSSYSA-N 311.794 3.081 0 40 DGAB Cc1cccnc1[C@H](NC(=O)c1noc2c1CCCC2)C(C)C 79358192 IIPJHHSDXOTEEX-OAHLLOKOSA-N 313.401 3.384 0 40 DGAB CN(Cc1ccc(Cl)c(Cl)c1)C1CCS(=O)CC1 79462812 AITMXACKAFQJOV-UHFFFAOYSA-N 306.258 3.336 0 40 DGAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@H]1c1noc(C2CC2)n1 84451907 XBZDBKZBHYGFAK-INIZCTEOSA-N 323.396 3.413 0 40 DGAB Cc1cccn2cc(CSCCOC[C@@H]3CCCO3)nc12 84495895 BHBUOFQKTSTEEZ-HNNXBMFYSA-N 306.431 3.072 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)CCCN1CCOCC1 84647624 KYFBDHZKAVJFRX-OAHLLOKOSA-N 302.418 3.148 0 40 DGAB Cc1noc2ncc(NC(=O)c3[nH]nc(C4CC4)c3Cl)cc12 89568249 AKYGWODHIZGDMD-UHFFFAOYSA-N 317.736 3.037 0 40 DGAB FC(F)(F)[C@H](OC[C@H]1CO1)c1cccc(Br)c1 95095936 ZKNNSXCHTDBVTE-NXEZZACHSA-N 311.097 3.468 0 40 DGAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)N(Cc1cccs1)C1CC1 95401099 PZOJLDOGYCDWJY-ZNMIVQPWSA-N 320.458 3.236 0 40 DGAB CCc1onc(C)c1NC(=O)[C@H](c1ccccc1)N(C)CC 95460635 RZUXLOQJXTURNR-INIZCTEOSA-N 301.390 3.177 0 40 DGAB Fc1cc(OCCC2OCCCO2)c(F)cc1Br 95734194 KTPBVCCBRGHRKU-UHFFFAOYSA-N 323.133 3.259 0 40 DGAB FC(F)(F)Sc1cccnc1I 95918443 KOSIYYJKWDZONR-UHFFFAOYSA-N 305.062 3.298 0 40 DGAB CCC[C@@]1(C)CCCN(C(=O)c2[nH]ncc2Br)C1 95962194 IRSYWSBBOQOEME-ZDUSSCGKSA-N 314.227 3.215 0 40 DGAB Cc1ccc(CN2CCC3(CC2)COCCN3CC2CC2)s1 96048916 OQEIMYQONLQSDX-UHFFFAOYSA-N 320.502 3.133 0 40 DGAB CN(C)C(=O)c1ccc(-c2cccc(Br)c2)n1C 96402757 OIGZSPPOZXTBMP-UHFFFAOYSA-N 307.191 3.156 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2cccnc2)c1 96408372 FGYNBSCDFRRSNT-HNNXBMFYSA-N 309.413 3.481 0 40 DGAB C[C@@H]1SCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)[C@H]1C 96411126 FNSHBKZRUSJKJO-RYUDHWBXSA-N 318.442 3.001 0 40 DGAB Cc1nc2cc(N[C@@H](C)c3nnnn3-c3ccccc3)ccc2o1 96436825 SZZDENPIMSIFMP-NSHDSACASA-N 320.356 3.285 0 40 DGAB Cc1nnc(SCC[C@@H]2CCOC2=O)n1[C@H]1CCC[C@H](C)C1 96485309 BEPQOCZPHIDQKG-UBHSHLNASA-N 323.462 3.383 0 40 DGAB C[C@H](O)CCN(C)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 97228810 RBJVWKQEBXRPEO-YVEFUNNKSA-N 316.401 3.296 0 40 DGAB CC(C)OC[C@@H](O)CN(Cc1ccco1)Cc1cccs1 98066301 UPNIIWZWBSNHKT-AWEZNQCLSA-N 309.431 3.129 0 40 DGAB CCOc1ccc(C(=O)[C@@H]2C(=O)N(c3ccccc3)N=C2C)cc1 101348387 VDQKPGBLBMZJJE-QGZVFWFLSA-N 322.364 3.307 0 40 DGAB Cc1noc(C)c1CN1CC[C@@H]2O[C@@H](COCC(C)C)CC[C@@H]21 107206345 HNSKDONTTVAOKV-NJAFHUGGSA-N 322.449 3.086 0 40 DGAB O=C(c1ccc(N2C[C@H]3CC[C@H]2C3)nc1)N1CCc2ccccc21 107582559 SNEGRHAUKJAKST-YOEHRIQHSA-N 319.408 3.273 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 169683694 VWCQAZFZWPMLER-WVMBZCLNSA-N 323.392 3.343 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1 169685374 FRINMYWKWPHCRN-ZXLDYLNASA-N 323.392 3.033 0 40 DGAB Cn1c(CS(=O)(=O)c2ccccc2)nc2cc(Cl)ccc21 193571845 DAADCZABHRRYFY-UHFFFAOYSA-N 320.801 3.201 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 222947732 WSKZMQDMDZTUKB-CABCVRRESA-N 301.415 3.447 0 40 DGAB COc1cccc(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225034390 DURCAFUPEZLCQS-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COCCNC(=O)c1ccc(Nc2cccc(C)c2C)c(N)c1 225418083 MRMQCJHZLZCXCS-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB O=C(NC1CCOCC1)N(Cc1ccsc1)Cc1ccco1 225552340 SRMJKIJVYNQIQG-UHFFFAOYSA-N 320.414 3.232 0 40 DGAB Cc1ncsc1C(=O)NC(C)(C)COCc1ccccc1 225598278 VIXBPPRVRIIRGV-UHFFFAOYSA-N 304.415 3.177 0 40 DGAB O=C(Cc1cccc(F)c1)N1CCC[C@H](Cc2cccnc2)C1 257205143 AXVYIKUHPFXUPD-QGZVFWFLSA-N 312.388 3.245 0 40 DGAB CN1CCC[C@@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1 257275825 NRBSYXXQFCOAAG-CYBMUJFWSA-N 316.792 3.149 0 40 DGAB CC(=O)N1CCC(c2ccnc(-c3ccccc3C(=O)O)c2)CC1 257289286 PXXZHLVOOAEKQK-UHFFFAOYSA-N 324.380 3.173 0 40 DGAB O=C1COc2cc(NC(=O)[C@H]3CCCc4ccccc43)ccc2N1 298883257 YUFLYXPWOARAAM-HNNXBMFYSA-N 322.364 3.076 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(OC)c3ccccc23)C1=O 409242512 VJXJPEXCFIXMNA-RVDMUPIBSA-N 310.353 3.151 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCc2cccc(O)c21 561104038 UTKBIBKWQQVDNR-MRXNPFEDSA-N 307.393 3.270 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1c(F)cc(Br)cc1F 575362522 SXUAMTZHHRLUQW-UHFFFAOYSA-N 321.117 3.252 0 40 DGAB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1cccc(C(=O)O)c1 2302593 RDRKSNUMTIBROZ-FZMZJTMJSA-N 321.373 3.241 0 40 DGAB CCC[C@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O 2376984 BOFKKFJIDCHDRH-CYBMUJFWSA-N 315.373 3.092 0 40 DGAB Cn1c2ccc(F)cc2c2ncn(CCc3ccccc3)c(=O)c21 2356644 JJCAAEJLZQEXJZ-UHFFFAOYSA-N 321.355 3.270 0 40 DGAB CCn1c(NC(=O)c2ccccc2COC)nc2ccccc21 31889957 GCRVHZVGZSDLTM-UHFFFAOYSA-N 309.369 3.455 0 40 DGAB COc1ccc([C@@H](O)c2nc3ccccc3s2)cc1OC 6411744 JODCYEQPCARGDW-OAHLLOKOSA-N 301.367 3.395 0 40 DGAB CCN(CC)C(=O)C1CCN(C[C@H](C)c2ccccc2)CC1 299506 VOMUEUVFRHDFQZ-INIZCTEOSA-N 302.462 3.371 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 8064280 HAENPQXXCUIZFS-UHFFFAOYSA-N 301.321 3.172 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 8517858 NSVZFAYKVHAFMG-KRWDZBQOSA-N 319.426 3.433 0 40 DGAB O=C1CCCN1c1ccccc1NCCOc1ccccc1F 32810909 DZMVOMZOWFUWKB-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB Cc1ccccc1CC(=O)NCc1cccc(CN2CCCC2)c1 32818563 KNWRMDGDEFMMNI-UHFFFAOYSA-N 322.452 3.450 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)cc1 29479947 AUDGDXYRPGWHQZ-HKUYNNGSSA-N 323.392 3.362 0 40 DGAB Clc1snnc1CSc1nnc(-c2ccco2)o1 22037557 CSCCRWXYECJSID-UHFFFAOYSA-N 300.752 3.127 0 40 DGAB CCOc1ccccc1CNC(=O)CSc1ccccc1 20457668 OLKLEBCSQQBUSQ-UHFFFAOYSA-N 301.411 3.494 0 40 DGAB CCC1(CC)NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 22705399 AWZLTQXVFRSEGT-UHFFFAOYSA-N 314.307 3.316 0 40 DGAB CCCCc1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 27228423 WJGQKVIPLHXSNO-UHFFFAOYSA-N 321.384 3.257 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2ccsc2)n1 47095395 CSAXRFRIPQCGRP-GFCCVEGCSA-N 320.462 3.039 0 40 DGAB Cc1nc(C)c(C(=O)Nc2cccc(-c3nnco3)c2)s1 24739636 DOZPBCVYIGWLPX-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)c1ccc(-n2cncn2)cc1 25043325 ORNOOBCUMDZUFJ-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=C(Nc1cnc2ccccc2c1)c1ccc(NC2CC2)nc1 57195686 UYFGJXGNCJLBCX-UHFFFAOYSA-N 304.353 3.456 0 40 DGAB C[C@H](NC[C@H](c1cccs1)N(C)C)c1nc(C(C)(C)C)no1 58177853 ZIHBTYHLFJUPRP-NWDGAFQWSA-N 322.478 3.382 0 40 DGAB CCS(=O)(=O)Nc1ccc(NCc2ccc(C)s2)cc1 37784920 MTUSHUGIBHAVEE-UHFFFAOYSA-N 310.444 3.430 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NCCSC1CCCC1 26978937 WCVHTBWKZZPKOA-UHFFFAOYSA-N 317.451 3.088 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(F)cc2C)c1 12754866 UHNIESWKEYROLA-UHFFFAOYSA-N 314.360 3.201 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1 175089267 PKGCXQJCQVWPLX-MRXNPFEDSA-N 319.351 3.481 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2nccs2)cc1OC 13007452 MAOCQGRUQHCSKV-UHFFFAOYSA-N 312.778 3.456 0 40 DGAB Cc1cccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)c1 13131594 FCTTYNTXDHFHFS-CVEARBPZSA-N 323.375 3.454 0 40 DGAB aggregator COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccccc1OC)C2 4084464 SGDAZRUGVPXFCB-LLVKDONJSA-N 314.337 3.296 0 40 DGAB biogenic COCCOCC(=O)Nc1ccc(F)cc1-c1ccc(F)cc1 69780548 CNYIYNHVXOJRIJ-UHFFFAOYSA-N 321.323 3.233 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)N2CCc3ccccc32)cc1 6328389 HFTPURORBZCOQZ-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB CC[C@H](C)NC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12 4493517 QBUNAHZWJIITSJ-ZDUSSCGKSA-N 317.385 3.050 0 40 DGAB O=C1OCC[C@H]1Sc1nc(-c2ccco2)nc2ccccc12 14093898 AFCFOKHQDUAIST-CYBMUJFWSA-N 312.350 3.297 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)OCC(=O)c1ccc[nH]1 5381900 TYXIYOFLOJYDJJ-UHFFFAOYSA-N 310.353 3.245 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)CCc1ccccc1 5367838 MQSPDABQRUOSCC-UHFFFAOYSA-N 311.381 3.418 0 40 DGAB O=C(O)c1cc(C(F)(F)F)n(Cc2cccc(Cl)c2)n1 408717754 SEMZBVDGAFFEFZ-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB CN(C(=O)c1ccc(Cl)c(S(C)(=O)=O)c1)c1ccccc1 14139462 DWYWDDLTZRKEBP-UHFFFAOYSA-N 323.801 3.020 0 40 DGAB Cc1c(C(=O)N2CCC[C@H](n3cccn3)C2)oc2ccccc12 65609736 OPMQURBCGMRIBT-AWEZNQCLSA-N 309.369 3.415 0 40 DGAB CC(C)[C@H](Nc1ccnc(-c2ccccc2)n1)C(=O)N1CCCC1 75110071 YZAGHZOCIHDGAB-KRWDZBQOSA-N 324.428 3.203 0 40 DGAB CCC(CC)N(CCO)Cc1ccc(-n2nc(C)cc2C)cc1 75104888 UTLQVTFJMJZINL-UHFFFAOYSA-N 315.461 3.472 0 40 DGAB Cc1ccc2cccc(NC(=O)CCNC(=O)C(C)(C)C)c2n1 66462756 GEGRQIRFVZFZSA-UHFFFAOYSA-N 313.401 3.034 0 40 DGAB c1coc(-c2nnc(SCc3ccc4c(c3)OCO4)o2)c1 4828518 FHBLAMNCDPEVOU-UHFFFAOYSA-N 302.311 3.351 0 40 DGAB Sc1nnc2nc(-c3ccccc3)c(-c3ccccc3)nn12 15222255 TVKKPDDUKJTKTE-UHFFFAOYSA-N 305.366 3.142 0 40 DGAB O=C(CCC1CCCC1)NCC1CCN(c2ccncc2)CC1 70928360 VXUBUGWOZVRZFV-UHFFFAOYSA-N 315.461 3.385 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)c(F)c1 9322121 OWULVNVMMHLGDT-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB CCOCCC(=O)Nc1c(F)cc(Br)cc1F 76040542 SKZLLAVDMBDLDG-UHFFFAOYSA-N 308.122 3.092 0 40 DGAB Cc1nc(C)c(CN2CCC[C@@H]2c2noc(C3CC3)n2)s1 76047713 HFUBEJYSLQDYJL-GFCCVEGCSA-N 304.419 3.357 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1coc2ccccc12)c1cccs1 97017570 YTSQCHMLDASVOH-GFCCVEGCSA-N 315.350 3.440 0 40 DGAB CN(C)Cc1cccc(CCNCc2ccc(F)cc2F)c1 76017859 SRYGSHBKNNQBOK-UHFFFAOYSA-N 304.384 3.359 0 40 DGAB Cc1cccnc1NC(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 97378325 FOOZRSRFDBWNFY-CVEARBPZSA-N 311.385 3.432 0 40 DGAB CCN(Cc1cccc2c1OCO2)C(=O)[C@@H]1C[C@@H]1c1ccco1 95396998 QQGMPIPCJMNRNB-UONOGXRCSA-N 313.353 3.161 0 40 DGAB CCn1cc2ccc(NC(=O)[C@@H]3COc4ccccc43)cc2n1 95396632 BSORANQMTAOKHB-OAHLLOKOSA-N 307.353 3.171 0 40 DGAB Cc1c(NCc2cc(C(N)=O)cs2)cccc1OC(F)F 95429005 DYGYUDRFAKYHFO-UHFFFAOYSA-N 312.341 3.369 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CO1 95957821 QOMDPWTUDLHEQY-NXEZZACHSA-N 302.296 3.347 0 40 DGAB C[C@@H](CC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2)C1CC1 95955482 IOLODQPZQAGNIT-NWDGAFQWSA-N 300.402 3.185 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)N[C@H]2CCCC2(C)C)c1C 79133356 PHFUZWVRJYNQSO-HNNXBMFYSA-N 319.449 3.427 0 40 DGAB Cc1cccc2c(N3CCN(c4ccc(F)cc4)CC3)ncnc12 79112666 FGMARHDDQTUTJV-UHFFFAOYSA-N 322.387 3.404 0 40 DGAB C[C@H](c1ccccn1)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 72203887 FHGVPLURQHUYFF-KGLIPLIRSA-N 305.422 3.132 0 40 DGAB CCOc1cc(C(=O)N2CCC[C@@H](C)C2)nn1-c1ccccc1 72264731 ULIRPJGWRBBYEK-CQSZACIVSA-N 313.401 3.143 0 40 DGAB CCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223337393 MVJHRGAPRQPLCT-IBGZPJMESA-N 324.424 3.303 0 40 DGAB CCOc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1 225107571 XYUWSFYEHLIWEH-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB COc1ccc(OCC(=O)n2cc(C=O)c3ccccc32)cc1 49920256 PGSDYHLHIYLBKL-UHFFFAOYSA-N 309.321 3.182 0 40 DGAB COc1ccc(S(=O)(=O)NCc2cccc(C)c2)c(C)c1C 224940013 QRDUTZBWDPVVSL-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222782300 QEWKWQSYNRKNNN-AWEZNQCLSA-N 304.434 3.037 0 40 DGAB CCC1(CC)Oc2ccc(NC3CCN(C(C)=O)CC3)cc2O1 191615680 COUFNABFHLPNGB-UHFFFAOYSA-N 318.417 3.397 0 40 DGAB Cc1ccc(C(=O)c2ccccc2I)nc1 45028542 JNKKJBOFFKCZHS-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCC(C)(C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1 224926056 ZBMSEGJEGAWKLI-UHFFFAOYSA-N 307.415 3.315 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@H](C)CC 225130984 IZVMMCDXABGCMC-CVEARBPZSA-N 318.461 3.427 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 223185126 ALZIEAFAIOQPGT-GFCCVEGCSA-N 319.401 3.354 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 222986891 KBTXDTWBIBXXFP-HZPDHXFCSA-N 314.458 3.193 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C 222710514 BMJRVGALURDBFL-OAHLLOKOSA-N 318.461 3.427 0 40 DGAB FC(F)(F)c1cccc(CN[C@H]2CCC23CCOCC3)n1 581352451 NSNZEVOIASSGSS-LBPRGKRZSA-N 300.324 3.149 0 40 DGAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C(=O)O)cn1 576761289 GZYCDOOKTJLWFH-WFASDCNBSA-N 314.360 3.297 0 40 DGAB CCC[C@@H](NC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1F 96467102 GIFWRYYUDISYFA-OAHLLOKOSA-N 307.344 3.196 0 40 DGAB C[C@@H]1CCCN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 96181996 MHPAIZJRHQAGGF-GFCCVEGCSA-N 305.809 3.338 0 40 DGAB Cc1c(CS(C)(=O)=O)cccc1NCCc1ccccc1 96489284 BWSPJWDNXLPKGI-UHFFFAOYSA-N 303.427 3.194 0 40 DGAB O=C(N[C@@H](c1nccs1)C1CC1)N[C@@H]1C[C@@H]1c1ccccc1 96439481 POOKJVNUQORRJW-RBSFLKMASA-N 313.426 3.450 0 40 DGAB CS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96416531 NMGOODCEZJKAMA-LSDHHAIUSA-N 306.431 3.049 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2C 96243484 NNIWHVYTYHQPLG-UHFFFAOYSA-N 302.418 3.169 0 40 DGAB CCc1cc(NC(=O)N(C)Cc2cc3ccccc3o2)n(C)n1 96445998 OHXKSARSFYYUIE-UHFFFAOYSA-N 312.373 3.393 0 40 DGAB Cc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 96112805 FRKJCFIZGWPNKC-INIZCTEOSA-N 307.397 3.206 0 40 DGAB biogenic,in-vitro CC(C)c1noc(CCCC(=O)N2c3ccccc3C[C@@H]2C)n1 40515624 MHQFYUHAQMIVKN-ZDUSSCGKSA-N 313.401 3.494 0 40 DGAB Cc1ccc(CN2CCC[C@@H]2c2nccc(CN(C)C)n2)s1 257336988 YQXJQEMCDREPDO-MRXNPFEDSA-N 316.474 3.245 0 40 DGAB CC1(c2nccs2)CCN(C(=O)Cc2cccc(F)c2)CC1 257281792 ORAPEGREHJOZHM-UHFFFAOYSA-N 318.417 3.405 0 40 DGAB CCc1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)no1 257298514 RMAQMYXAPKUDPX-NSHDSACASA-N 305.403 3.022 0 40 DGAB Cc1nc(-c2nc(C)n(-c3ccccc3)n2)nn1-c1ccccc1 255187112 BIGDXKCBKYYLCW-UHFFFAOYSA-N 316.368 3.132 0 40 DGAB O=C(Nc1ncccn1)c1ccc(COc2ccccc2)cc1 390834290 VUSUDYZPTICRSG-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB O=C(c1ccsc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575604898 DHIDRGWBQFAOKU-LLVKDONJSA-N 308.790 3.090 0 40 DGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H]1CCCO1 58054918 SYHOWVCKOCTDMV-RHSMWYFYSA-N 302.418 3.176 0 40 DGAB COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[C@H]32)cc1Cl 76089451 YBQRLYXBKCVWDY-BXKDBHETSA-N 310.781 3.373 0 40 DGAB CC(C)n1cc(NC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)cn1 89894047 MVIKCRWAPAEMHM-BBRMVZONSA-N 316.405 3.098 0 40 DGAB O=C1COc2nc3ccccc3cc2CN1Cc1ccc(F)cc1 12115566 QNXDECXXLQNAQL-UHFFFAOYSA-N 322.339 3.295 0 40 DGAB CC(=O)N[C@@H](C(=O)N[C@H](C)c1cccc2ccccc12)C(C)C 13006319 NSHWLGNHWDOUCF-FZKQIMNGSA-N 312.413 3.178 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)OCCO2 6376381 KLZFWZOUPLQSAV-UHFFFAOYSA-N 309.243 3.127 0 40 DGAB Cc1cc(NC(=O)c2ccc(F)cc2)cc2sc(NN)nc12 226310290 ZEMULFKRKGOSPX-UHFFFAOYSA-N 316.361 3.282 0 40 DGAB OCCCc1nc2c(Br)cc(C(F)(F)F)cc2[nH]1 4241825 MBIDMDLISUPTFB-UHFFFAOYSA-N 323.112 3.269 0 40 DGAB CC(C)C(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181245 UXNLLCRYHOHOSH-UHFFFAOYSA-N 323.849 3.254 0 40 DGAB Cc1nnc(SCc2nc(-c3ccc(F)cc3)no2)s1 7293831 ZQWSIBWLMAZHHO-UHFFFAOYSA-N 308.363 3.328 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCC(Oc2ccncc2)CC1 253399931 KCMHKIAFODZKBW-UHFFFAOYSA-N 321.380 3.247 0 40 DGAB Cc1ccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)cc1 3911744 ZZGZNAGMEQZRHO-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB CCCCCC(=O)NC(=S)Nc1cccc(C(=O)O)c1C 6569745 JUSDTLUAJYSSBC-UHFFFAOYSA-N 308.403 3.087 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCCN(C(C)(C)C)CC2)c1 58413173 NCPNKSWICAWHOE-UHFFFAOYSA-N 317.433 3.227 0 40 DGAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2c(C)nn(C)c2n1 14814412 BCNWZROBSYFPSF-UHFFFAOYSA-N 314.776 3.491 0 40 DGAB CCOC(=O)c1cc(CO)nc2c(Cl)cc(Cl)cc12 1706670 DAYKHQMPKZWSJQ-UHFFFAOYSA-N 300.141 3.211 0 40 DGAB COc1ccc(C2=NN3COc4ccccc4[C@@H]3C2)c(OC)c1 40486610 JFWDJICZWNIFLE-INIZCTEOSA-N 310.353 3.205 0 40 DGAB Cc1cc(C)c(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c(C)c1 6008548 KNQHFBWODOQHRM-RVKKMQEKSA-N 305.462 3.329 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccc(F)cc1 55693634 OJLQVYYPDUAXDF-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB CN(C)C[C@H]1CSCC[C@]1(O)c1ccc(C(F)(F)F)cc1 347750 ADSAQTUAGOVXJN-KBPBESRZSA-N 319.392 3.208 0 40 DGAB COc1ccc2c(c1)OCC(C(=O)Oc1ccc(C(C)=O)cc1)=C2 11326822 FLXLSUYJLBXYNU-UHFFFAOYSA-N 324.332 3.279 0 40 DGAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(C)cc1C 41095236 OWIJHLHATXVQMF-RISCZKNCSA-N 311.447 3.169 0 40 DGAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1 36736260 XHXYDKJDAKKDMD-SNVBAGLBSA-N 307.419 3.341 0 40 DGAB C[C@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 32779374 RDTJYYSKQKYZCL-INIZCTEOSA-N 315.461 3.235 0 40 DGAB O=C(c1cnccn1)N1CCc2sccc2[C@@H]1c1ccccc1 32787782 ORAFVEIUZYXPNM-KRWDZBQOSA-N 321.405 3.326 0 40 DGAB Cc1ccc(NC(=O)[C@H]2COc3ccccc3O2)c2cccnc12 41157622 KERLBNWFSFQOLQ-QGZVFWFLSA-N 320.348 3.322 0 40 DGAB C[C@@H](NC(=O)N[C@@H]1CCCN(C)C1)c1cccc2ccccc12 52500109 WFSBDTFFBUWMBH-GDBMZVCRSA-N 311.429 3.294 0 40 DGAB CC(=O)Nc1ccc(OCc2nc3ccccc3nc2C)cc1 32957734 GCIPLWSHOOYQAI-UHFFFAOYSA-N 307.353 3.476 0 40 DGAB C[C@H]1c2ccsc2CCN1CC(=O)NCc1ccc(F)cc1 7878516 KSOYWSOWHAUVPJ-LBPRGKRZSA-N 318.417 3.123 0 40 DGAB CC(C)=CCN1CCN(CCOc2ccc(Cl)cc2)CC1 53100854 QSEXDANSKUJMCY-UHFFFAOYSA-N 308.853 3.303 0 40 DGAB Cc1cc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c(C)o1 4931320 PPOMXIPROGQUGP-UHFFFAOYSA-N 301.342 3.309 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 106575189 BMINBGWQPLHNML-SCRDCRAPSA-N 309.841 3.146 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1Cc1ccccc1 25046390 GCMUMHJNHUVMSH-UHFFFAOYSA-N 319.408 3.283 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2)c(C)c1 57471979 PGATVKIUHQZVSE-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Nc1cccc(-c2nn(-c3ccccc3)cc2CCC(=O)O)c1 3260408 JTPQSXJEXQMDHN-UHFFFAOYSA-N 307.353 3.139 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)Cc1ccsc1 3237630 NIGDEQHGVHBJBB-UHFFFAOYSA-N 321.423 3.194 0 40 DGAB CC(C)(C)C(=O)COC(=O)Cc1ccc(Br)cc1 3252130 PDZITUDITZZNPX-UHFFFAOYSA-N 313.191 3.150 0 40 DGAB Cc1cc(C)c(NC(=O)Cn2c(C)csc2=O)c(Cl)c1 12622441 UZVBZDUIDYSAOF-UHFFFAOYSA-N 310.806 3.127 0 40 DGAB Cc1cc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)c(C)o1 58161656 KBMAOBPOSLEVTN-ZDUSSCGKSA-N 324.427 3.069 0 40 DGAB CC1CCN(C(=O)COC(=O)/C=C/c2ccccc2Cl)CC1 3302014 HPIMSGYGBADRRD-VOTSOKGWSA-N 321.804 3.155 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1c[nH]c2ccccc12 12791057 LLUDFHNLPCWHTJ-UHFFFAOYSA-N 322.364 3.098 0 40 DGAB COc1cc(C)ccc1NC(=O)c1ccn(-c2ccccc2)n1 48302874 SSPQHZMGGFNVPI-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CC[C@@H]1CO[C@H](C)CN1CC(=O)Nc1cccc2ccccc12 12950893 QATSPGWNXJVEJA-GDBMZVCRSA-N 312.413 3.278 0 40 DGAB O=S(=O)(NC[C@H]1CCCc2ccccc21)c1cccs1 12975419 HNAJKCPXKQRHGG-CYBMUJFWSA-N 307.440 3.147 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc2c(c1)CCC2 3523514 YWINHDQPNMRDPL-UHFFFAOYSA-N 313.328 3.110 0 40 DGAB CCNC(=O)c1ccc(CNCc2cccc(OCC)c2)cc1 48713250 ADVDLGBSSBITEM-UHFFFAOYSA-N 312.413 3.125 0 40 DGAB O=C(O[C@H]1CCCCC1=O)c1csc(-c2ccccc2)n1 7162043 PYPDSFQBJWJJLW-AWEZNQCLSA-N 301.367 3.479 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(OC)cc1 20035784 CMUNXPMAEGPTDA-KRWDZBQOSA-N 318.461 3.009 0 40 DGAB Cc1ccc(N2C(O)=Nc3ccccc3S2(=O)=O)c(C)c1 15827113 ACRJHZFEUSDQAC-UHFFFAOYSA-N 302.355 3.058 0 40 DGAB Cc1ccc2cc3c(nc2c1)N(NC(=O)c1cccs1)CC3 5267432 HRLXFEYXRXAHMD-UHFFFAOYSA-N 309.394 3.312 0 40 DGAB COc1cc(C(=O)OCc2cc(C)on2)cc(Cl)c1OC 5320063 CNJMGSTZYHUFNX-UHFFFAOYSA-N 311.721 3.011 0 40 DGAB Cc1nc(-c2ccccc2)sc1CNC(=O)N1CCCC1 65590923 HONZLSCCXGFYCC-UHFFFAOYSA-N 301.415 3.424 0 40 DGAB Cc1c(O)ccc2c(CN3C[C@H](C)C[C@@H](C)C3)cc(=O)oc12 6510874 KEKTUWUHTFKGSB-VXGBXAGGSA-N 301.386 3.285 0 40 DGAB CC(=O)c1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1 7608455 GVFYHICNKFSUPG-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC2 6668229 OHULBSIEGVKYJM-CVEARBPZSA-N 301.386 3.395 0 40 DGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCCC2 6668230 OHULBSIEGVKYJM-HOTGVXAUSA-N 301.386 3.395 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1 27442756 ISFIHQBJACYASW-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB CC(C)(CNC(=O)N1CCC(CO)CC1)c1ccccc1Cl 71795691 XMWJBDJQHZXLGO-UHFFFAOYSA-N 324.852 3.032 0 40 DGAB Cc1ccc(NC(=O)N2CCOCC2)c(SC(F)(F)F)c1 69654478 XGZYSBIFCOJCAE-UHFFFAOYSA-N 320.336 3.471 0 40 DGAB FC(F)(F)c1cc(CN2CCNCC2)cc(C(F)(F)F)c1 67800350 YQAXGAWZSCESBQ-UHFFFAOYSA-N 312.257 3.129 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CC(C)(C)[C@H]1c1ccccc1 71823378 QWMMAYMCUJNMAN-GOSISDBHSA-N 311.429 3.189 0 40 DGAB COc1ccc(N)cc1NC(=O)c1ccc(OC(C)C)cc1 19736225 XKBQXCWVQLVJNL-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB Cc1ccc2cc(CN(C)C(=O)c3ccccc3C)c(=O)[nH]c2c1 9462790 QTRVXYQSVDVRMK-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB CCc1nc(CNC2(c3ccc(OC)cc3)CCCC2)no1 72283346 OFAYMQXBJNIRPI-UHFFFAOYSA-N 301.390 3.200 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72298942 LYLLQZHOTPMEMD-ZDUSSCGKSA-N 308.447 3.117 0 40 DGAB CCCC1CCC(NC(=O)c2nc3ccccc3c(=O)[nH]2)CC1 72273072 PXZLZWYBAXFTJE-UHFFFAOYSA-N 313.401 3.012 0 40 DGAB Cc1ccccc1NC(=O)C[C@H](C)Nc1ccc2n[nH]nc2c1 97038131 RHHVUJJQNUBJJN-LBPRGKRZSA-N 309.373 3.096 0 40 DGAB OCCC1(NCc2cccc(Cl)c2Cl)CCOCC1 97015964 BOCDMAUJNLLDEQ-UHFFFAOYSA-N 304.217 3.015 0 40 DGAB C[C@@H](CCc1ccccc1F)NC1CCC2(CC1)OCCO2 97016551 YFIXQVXULQIRSV-AWEZNQCLSA-N 307.409 3.422 0 40 DGAB CSC[C@@H](C)NC(=O)c1c(F)cc(Br)cc1F 87315051 JNKLAXHOUBMBDO-ZCFIWIBFSA-N 324.190 3.209 0 40 DGAB CCN(CC)C(=O)CCC1CCN(c2cccc(C)n2)CC1 97163422 VNQUWSFUNZCAPU-UHFFFAOYSA-N 303.450 3.255 0 40 DGAB COc1ccc([C@H](NC(=O)c2cscn2)C(F)(F)F)cc1 97236105 WVLHMMWTHLDOKE-NSHDSACASA-N 316.304 3.185 0 40 DGAB CNCC1CCN(Cc2ccc(OCC(F)(F)F)cc2)CC1 97229030 SAPXPJVOYVHOHK-UHFFFAOYSA-N 316.367 3.059 0 40 DGAB C[C@H](CCNC(=O)c1ccsc1)N(C)C(=O)OC(C)(C)C 84637286 NXBGDLNHWDCIHU-LLVKDONJSA-N 312.435 3.123 0 40 DGAB O=C(Cc1noc2ccccc12)NCC1(c2ccccc2)CC1 22533400 OIFOSJATOUBSGX-UHFFFAOYSA-N 306.365 3.218 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCCCC[C@H]1c1ccco1 110681689 AKZKVMXNFZVFRJ-CBBWQLFWSA-N 304.390 3.226 0 40 DGAB FC(F)(F)c1cccc([C@@H]2CN(Cc3ccon3)CCO2)c1 78988438 UMKQTXLVODEOAC-AWEZNQCLSA-N 312.291 3.267 0 40 DGAB COC(=O)c1cc(-c2ccc(O)c(OC)c2)nc2ccccc12 22115552 QCBSPDBBULDMAN-UHFFFAOYSA-N 309.321 3.403 0 40 DGAB CCCCc1ccc(N(C)C(=O)c2ccc3nncn3c2)cc1 78992247 QDJCWTNPGQPFOJ-UHFFFAOYSA-N 308.385 3.349 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 95959431 PGCVGOSQMWNAHM-KRWDZBQOSA-N 320.348 3.181 0 40 DGAB C[C@@H](c1ccccn1)N(C)CCC(=O)N1CCc2ccccc2C1 189140947 XJOFQIHROGEJOA-INIZCTEOSA-N 323.440 3.049 0 40 DGAB CN(C[C@](C)(O)c1ccccc1)C(=O)c1cc2c(o1)CCCC2 1520258907 VKRWSWVWXPPUEW-IBGZPJMESA-N 313.397 3.138 0 40 DGAB CC(C)(C)NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 32145643 PFWFZRJZWNCGPD-UHFFFAOYSA-N 301.365 3.028 0 40 DGAB COCCNC(=O)c1ccc(CN2CCCc3ccccc32)cc1 30751056 WKAJYOZKXLTAHE-UHFFFAOYSA-N 324.424 3.016 0 40 DGAB C[C@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 72203928 XHVIHPAHSMZJAP-UONOGXRCSA-N 305.422 3.132 0 40 DGAB Cc1nc2ccccn2c1C(=O)OCc1cc(-c2ccco2)on1 36662639 RHTWNQWLFLMLBW-UHFFFAOYSA-N 323.308 3.248 0 40 DGAB C[C@@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCCCC1 33889519 JSSQOQZPYZSHFN-AWEZNQCLSA-N 312.457 3.477 0 40 DGAB Cn1cc(-c2noc(-c3cccc(C(F)(F)F)c3F)n2)cn1 79942510 CODMQGMOOSPVGZ-UHFFFAOYSA-N 312.226 3.295 0 40 DGAB COc1ccc(CCNC(=O)[C@@H](C)Nc2cccc(C)c2)cc1 48375335 UVWVJLONCQCFIB-OAHLLOKOSA-N 312.413 3.163 0 40 DGAB CC(C)c1noc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122530 JCVYIBCWAVUHQH-ZDUSSCGKSA-N 320.437 3.415 0 40 DGAB CC(=O)c1cn(CCC(=O)Nc2ccccn2)c2ccccc12 40282934 RVRODOKTUYQJDW-UHFFFAOYSA-N 307.353 3.268 0 40 DGAB O=C(COc1ccc(F)cc1)NCCCc1ccc(F)cc1 222782260 XPVNHZZHKVQTKI-UHFFFAOYSA-N 305.324 3.093 0 40 DGAB O=C(c1c(F)ccc(O)c1F)N1CCC[C@@H](c2ccncc2)C1 568564356 RYPGPAORLHHCIQ-GFCCVEGCSA-N 318.323 3.085 0 40 DGAB CNC(=O)c1ccccc1-c1ncc(-c2ccc(OC)cc2)o1 224905761 WIXNQVPTXRGRIQ-UHFFFAOYSA-N 308.337 3.377 0 40 DGAB Cc1cccc(CS(=O)(=O)NC[C@@H](C)c2ccccc2)c1 224168603 MNEYHUBCUDNKPX-OAHLLOKOSA-N 303.427 3.218 0 40 DGAB Cc1ccnc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225731902 WWCCZCPJWVTTJE-GJZGRUSLSA-N 320.506 3.044 0 40 DGAB Cc1cnc(N2CCC(NCCOc3ccccc3)CC2)s1 225512485 YOWWCSQATUWMPA-UHFFFAOYSA-N 317.458 3.089 0 40 DGAB O=C(COc1ccc(F)cc1)N(CCc1cccs1)C1CC1 75154789 PEKCIOMWBWHDOA-UHFFFAOYSA-N 319.401 3.500 0 40 DGAB C[C@@H](CNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 198911683 UMZMCGHODVYAQT-AWEZNQCLSA-N 311.381 3.268 0 40 DGAB CCNC(=O)c1cc(NCc2c(C)noc2C)nc2ccccc12 191587645 GMVNYVAJTWPTHD-UHFFFAOYSA-N 324.384 3.201 0 40 DGAB Cc1ccc([N+](=O)[O-])cc1Nc1ccc([N+](=O)[O-])cc1C(=O)O 143184351 ACIBJJVDQQKIQR-UHFFFAOYSA-N 317.257 3.253 0 40 DGAB COCCCCNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 96439092 CUGOOGLHLUFDLT-CZUORRHYSA-N 308.397 3.345 0 40 DGAB Cc1ccc(-c2noc(-c3nc(-c4cccnc4)no3)n2)cc1 98212379 OIGVJHOWBRIJEA-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB CC1CCN(C(=O)[C@@H](C)[S@@](=O)C/C=C/c2ccccc2)CC1 96448047 GKINFMRUDGXNOL-IPBCSKJDSA-N 319.470 3.096 0 40 DGAB C[S@](=O)c1nncn1Cc1ccc(C2CCCCC2)cc1 95414706 FFWYBOUUPVDBRK-OAQYLSRUSA-N 303.431 3.112 0 40 DGAB Cc1cc(NC(=O)c2cccnc2OCC(F)(F)F)sn1 96480705 UQRDNYVXFLKXEQ-UHFFFAOYSA-N 317.292 3.040 0 40 DGAB Cc1ncc(/C=C/C(=O)O[C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)s1 96442499 HUXBWKPXEWNNPG-PRLAERNFSA-N 307.415 3.212 0 40 DGAB COc1ccc(Cc2noc(-c3sc(C)nc3C)n2)cc1 96405286 WZDHBVUIRMIUEF-UHFFFAOYSA-N 301.371 3.409 0 40 DGAB C[C@@H](O)CCCCCC(=O)N1CCO[C@](C)(c2ccccc2)C1 585132000 MOSLGMABLZKHEK-APWZRJJASA-N 319.445 3.092 0 40 DGAB Cc1cc(NC(=O)c2ccc3cccnc3n2)n(C(C)(C)C)n1 585101680 UESNQYKGWCMGSL-UHFFFAOYSA-N 309.373 3.142 0 40 DGAB COCC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247828395 GTLRHMOJLWENMO-SFHVURJKSA-N 322.412 3.025 0 40 DGAB C[C@]12CCCCN(Cc3ccc4ncccc4c3)[C@H]1CCC(=O)N2 257237023 HEVVJEHXHPGEFD-ICSRJNTNSA-N 323.440 3.258 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@H](c3cnccn3)C2)c1 257248848 JFMSYOCOTBTENN-KRWDZBQOSA-N 322.456 3.456 0 40 DGAB Cc1cc(N2CCC[C@H](C)C2)nc(NC(=S)NC(C)(C)C)n1 260735397 HEHPWNMIOXIAJU-NSHDSACASA-N 321.494 3.106 0 40 DGAB C[C@H](Sc1nc2c(Br)cccc2s1)C(N)=O 390833122 CKFZUAGCBWEZHL-YFKPBYRVSA-N 317.233 3.025 0 40 DGAB CC(C)OCc1cccc(NC(=O)NC2(CN(C)C)CCC2)c1 390835737 WNHWRLQWFYLFQV-UHFFFAOYSA-N 319.449 3.217 0 40 DGAB COc1ncccc1NC(=O)CCSCc1csc(C)n1 44954508 RPAGFUUHVXLCGC-UHFFFAOYSA-N 323.443 3.117 0 40 DGAB CN(C(=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 52929744 RTZHVWDQLHVDMV-AWEZNQCLSA-N 318.417 3.297 0 40 DGAB O[C@@]1(/C=C/c2ccccc2)CCOC[C@@H]1NCc1ccccc1 1547139781 NQXARPDMVRVEMA-ARZGSZHJSA-N 309.409 3.010 0 40 DGAB O=C(c1cscn1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970920 KACFYZPYRVDBON-UHFFFAOYSA-N 324.409 3.067 0 40 DGAB CSCC[C@@H]1NC(=S)N(c2cccc3ccccc23)C1=O 14188909 LVERHIRXWDZCIZ-ZDUSSCGKSA-N 316.451 3.183 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2cc(C)cc(C)c2)C1 19974132 APOGPVHBORCHRM-UHFFFAOYSA-N 323.440 3.434 0 40 DGAB Cc1ccccc1NC(=O)COc1ccc(Cl)cc1C=O 8571349 JARHXGSDTBAGHV-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB O[C@H]1CCOC2(C1)CN(C(c1ccccc1)c1ccccc1)C2 953116039 SUJSQCUCHFJMBR-SFHVURJKSA-N 309.409 3.002 0 40 DGAB Cc1cc(NC(=O)C2CCN(C)CC2)ccc1Br 74713430 WIWDISHQJOIQKL-UHFFFAOYSA-N 311.223 3.038 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccco1 418095 FXUQNGLNWSUKJX-UHFFFAOYSA-N 314.322 3.384 0 40 DGAB Cc1cc2cc(CCNC(=O)CC(C)(C)C)c(=O)[nH]c2cc1C 8772838 CFZGIPWOSDXIIC-UHFFFAOYSA-N 314.429 3.240 0 40 DGAB aggregator Cc1cc(C(=O)N2CCc3nc4ncccc4cc3C2)c(C)o1 1889962472 IDZZPLRIVDUFLF-UHFFFAOYSA-N 307.353 3.038 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 3153722 VBWAQQZHWMRYOM-CYBMUJFWSA-N 305.399 3.043 0 40 DGAB C[C@@](O)(CNC(=O)c1cc2ccccc2o1)c1cccs1 75155853 VXUWDNMTZOLYRR-MRXNPFEDSA-N 301.367 3.132 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc4cc[nH]c4c3)C2=O)c1 13577262 ZVTRXGZRKPRYGK-KRWDZBQOSA-N 319.364 3.220 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1ccc(C)s1)N2 30540865 XOUXUHDLECTJSP-OAHLLOKOSA-N 318.398 3.270 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)c1 1358080 ZNOGPPWTQPHRRE-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CC1=C(C(=O)OCCC(C)C)[C@H](c2ccc(C)cc2)NC(=O)N1 195046 ADHHXKFKAQYOAF-INIZCTEOSA-N 316.401 3.212 0 40 DGAB Cc1ccc([C@@H](OC(=O)c2ccco2)C(=O)NC(C)(C)C)cc1 4900564 DIKWQZKUIWOWRN-OAHLLOKOSA-N 315.369 3.401 0 40 DGAB CCCCCC(=O)Nc1ccc(NC(=S)NC(=O)CC)cc1 6709822 LRGGYYFTRAWYQJ-UHFFFAOYSA-N 321.446 3.428 0 40 DGAB Cc1cc(C(=O)CN2C[C@H](C)OC(C)(C)C2)c(C)n1C1CC1 68476931 DRHGUXFTMLEIOX-ZDUSSCGKSA-N 304.434 3.122 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1c1ncnc2ccccc12 11246751 CBISPTHCSGGXLM-KRWDZBQOSA-N 318.380 3.237 0 40 DGAB FC(F)(F)c1cccn2c(C(F)(F)Br)nnc12 1848350279 QGTDYTJSASDBIW-UHFFFAOYSA-N 316.027 3.192 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cscn2)N1Cc1cccnc1 57771304 VLJKUMBWAUOVIU-MRXNPFEDSA-N 322.393 3.305 0 40 DGAB CCN1CC[C@]2(CCCN(Cc3ccccc3C)CC2)C1=O 108531376 DFPHKOSVKDINQF-LJQANCHMSA-N 300.446 3.220 0 40 DGAB CCN(Cc1ccccc1)C(=O)COC(=O)c1ccc(C)cc1 57487345 QIKYTSBZJCMOKA-UHFFFAOYSA-N 311.381 3.201 0 40 DGAB CC(C)n1cc(NC(=O)c2cnc(Oc3ccccc3)cn2)cn1 91044100 QMPYMTVEWHPQGU-UHFFFAOYSA-N 323.356 3.299 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1ccc2c(c1)CCCC2 8060209 ROOZGUKYNRNMFV-UHFFFAOYSA-N 309.365 3.224 0 40 DGAB CCn1nc(C)c(C(=O)Nc2nc3ccccc3s2)c1C 27983102 VBSRHZDBVOPNQJ-UHFFFAOYSA-N 300.387 3.382 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nc(C)no3)n2)cc1 43752143 MFSDEFPNQZLFKR-VIFPVBQESA-N 301.375 3.325 0 40 DGAB CCc1ccc(OCC(=O)N(C)Cc2ccccc2OC)cc1 20460343 OLMFVVVYCNLZOB-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB O=C1c2ccccc2C(=O)N1CCc1nc2ccccc2s1 57312130 UTXGYNYVTCBSLP-UHFFFAOYSA-N 308.362 3.135 0 40 DGAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 57574288 PQVWAGMCXKFIIG-SCLBCKFNSA-N 312.388 3.496 0 40 DGAB C[C@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccncc1 12554691 CDSLHWXCXMHAJY-ZDUSSCGKSA-N 314.410 3.049 0 40 DGAB O=C(CCc1ccco1)Nc1cnc(-c2cccc(O)c2)nc1 57883899 XFJJKZALYIWBIA-UHFFFAOYSA-N 309.325 3.014 0 40 DGAB Nc1ccc2nn(-c3ccc(Cl)cc3)nc2c1Br 20134547 RQWDYUFOVZPPEL-UHFFFAOYSA-N 323.581 3.419 0 40 DGAB C[C@@H]1CCc2sc(C(=O)NCCCCCC(=O)O)cc2C1 12794408 OZAAWOBLDYNPER-LLVKDONJSA-N 309.431 3.248 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)no1 3402866 NYNLPAGYEKGWKN-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB CSc1ccc(/C=C/C(=O)OCC(=O)c2ccc[nH]2)cc1 3416226 YMMZIFZIRYHZMX-RMKNXTFCSA-N 301.367 3.176 0 40 DGAB O=C(NCc1nc(-c2cccs2)no1)Nc1ccccc1 12945518 UHMVSETYBTXRQT-UHFFFAOYSA-N 300.343 3.120 0 40 DGAB Cc1nnc2ccc(C(=O)N(CC(C)C)C3CCCCC3)cn12 69420964 XDTXEJHLWHTSAL-UHFFFAOYSA-N 314.433 3.469 0 40 DGAB COc1ccc([C@@H](O)c2nccn2Cc2ccccc2)c(OC)c1 13723964 XOBKEPRVCPFYSF-GOSISDBHSA-N 324.380 3.030 0 40 DGAB Cc1noc(C)c1C(=O)OCc1cc(Cl)cc2c1OCOC2 5197398 SEUZZZUHALTNKS-UHFFFAOYSA-N 323.732 3.168 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F 69520722 YXFHDTWKDYUUQZ-NSHDSACASA-N 314.332 3.321 0 40 DGAB Cc1nc(S[C@H]2C[C@@H](C)OC2=O)c2c3c(sc2n1)CCC3 14076379 OMXJHQIYRJEMIY-HQJQHLMTSA-N 320.439 3.285 0 40 DGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccsc1)CC3 6473269 QVPWZIGSRDVWEA-XFFZJAGNSA-N 324.361 3.101 0 40 DGAB COc1ccc(Br)c(C(=O)N(C)Cc2ccco2)c1 14171850 VQSKVGGZPFNZCZ-UHFFFAOYSA-N 324.174 3.323 0 40 DGAB COc1ccc(-c2nnc(COc3cccc(F)c3)o2)cc1 14216909 WXYMUFWLGAAJBD-UHFFFAOYSA-N 300.289 3.463 0 40 DGAB Cc1cccnc1CNC(=O)c1ccccc1Br 69769446 RBRNYGGTVHQKOO-UHFFFAOYSA-N 305.175 3.083 0 40 DGAB CCSc1ccccc1C(=O)Nc1ccccc1C(N)=O 4725039 XOPJBQUPCRNZKU-UHFFFAOYSA-N 300.383 3.150 0 40 DGAB CCCn1ccnc1S[C@@H](C(=O)NC1CC1)c1ccccc1 17725351 GERSSSFJEIVPKT-OAHLLOKOSA-N 315.442 3.405 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2cccs2)c1C 5786724 NPXVURHAKFYCPR-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB COC(=O)CCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 62714362 VVSNSSLTUGDLMJ-OBGWFSINSA-N 323.392 3.297 0 40 DGAB Cc1cnn(CCNCc2csc(Cc3ccccc3)n2)c1 71872119 RIFWKCJBCNJGNK-UHFFFAOYSA-N 312.442 3.029 0 40 DGAB COc1ccc(C(=O)N(C)C[C@@H]2OCCc3ccccc32)cc1 83859367 IIMIXYPZAJJKEO-SFHVURJKSA-N 311.381 3.081 0 40 DGAB C[C@@H](Cc1ccsc1)NCC1(N2CCCCC2)CCOCC1 89594784 RKXTYTMWEAVVBD-INIZCTEOSA-N 322.518 3.304 0 40 DGAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)c1 9895386 WJUHSPLIMCBFAJ-GOSISDBHSA-N 322.408 3.089 0 40 DGAB COc1ccc(OCCNC(=O)c2ccc3ncccc3c2)cc1 72278396 YGPRLHPRAZTTMY-UHFFFAOYSA-N 322.364 3.052 0 40 DGAB COCc1cccc(NC(=O)N[C@@H]2CC(C)(C)OC2(C)C)c1 97047256 PKOLRVXFFMWIHQ-CQSZACIVSA-N 306.406 3.301 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)CNCC3)c(C)n1C1CC1 97019662 POHMKZSGRCUDSQ-UHFFFAOYSA-N 309.413 3.338 0 40 DGAB C[C@@H](O)c1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 97046306 VUTRCFDQCYRZQM-CQSZACIVSA-N 321.380 3.237 0 40 DGAB Cc1nc(-c2ccccc2)sc1NC(=O)NCC(C)(C)O 97107766 UQJAZALGKRHPOD-UHFFFAOYSA-N 305.403 3.011 0 40 DGAB Cc1nscc1C(=O)OC1CCN(Cc2ccsc2)CC1 97138803 NJIOXYHKAKOHGS-UHFFFAOYSA-N 322.455 3.334 0 40 DGAB CCn1cc2ccc(NC(=O)CCCc3ccccn3)cc2n1 95396338 LOYXNCOZSJASIC-UHFFFAOYSA-N 308.385 3.413 0 40 DGAB CCc1ccc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)o1 95419777 PKQUGAHBTXIAMP-CQSZACIVSA-N 310.401 3.333 0 40 DGAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CC=CCC1 95970086 WTKAWTULBNSGFQ-ZDUSSCGKSA-N 323.339 3.124 0 40 DGAB O=C(C1CC1)N(Cc1ccccc1)C[C@@H](O)c1cccs1 79072256 IPAZNZGXVLHTHP-OAHLLOKOSA-N 301.411 3.220 0 40 DGAB CC(C)(C)NC(=O)Nc1nnc(Cc2ccc(F)cc2)s1 79059578 UIFYGDZKLUHHSN-UHFFFAOYSA-N 308.382 3.188 0 40 DGAB Cc1cc(CNC(=O)N(C)Cc2c(F)cccc2Cl)no1 60058928 FOWZADWNISRZLC-UHFFFAOYSA-N 311.744 3.117 0 40 DGAB Cc1nn(COc2cccc(F)c2)c(C)c1NC(=O)C1CC1 32610269 NPUNULBJWZADON-UHFFFAOYSA-N 303.337 3.024 0 40 DGAB Cc1nn(C)c(C)c1CN(C)C(=O)c1ccc(-c2ccco2)o1 72243260 HZSKNBOLFSSEAM-UHFFFAOYSA-N 313.357 3.162 0 40 DGAB Cc1cccc(NC(=O)/C=C/c2cnn(-c3ccccc3)n2)c1 31663178 PJEYZDVMDQWPPM-ZHACJKMWSA-N 304.353 3.228 0 40 DGAB c1ccc(C[C@@H]2COCCN(Cc3ccc4cc[nH]c4c3)C2)nc1 72388196 FRMPDUMCUWWSSV-KRWDZBQOSA-N 321.424 3.254 0 40 DGAB O=C(NCc1ccccc1F)c1cc(-c2cccs2)on1 32873636 SLEXMTIOKQRWHE-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccncc1 224284645 JTCDRHVCNQMWMN-UHFFFAOYSA-N 310.288 3.055 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)c(C)c1 47454260 KWDXMNZFAXTDSQ-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB CCOc1ccc(Cl)cc1S(=O)(=O)NCC(C)(C)C 223005741 HLNKLEFOBUUFQD-UHFFFAOYSA-N 305.827 3.063 0 40 DGAB CCN(CC)c1ccc(N)cc1NC(=O)C(Cl)(Cl)Cl 226260498 XUBFCAYCMTVDRO-UHFFFAOYSA-N 324.639 3.424 0 40 DGAB Cc1ccc(C(=O)NCCc2ccc(OC(F)(F)F)cc2)o1 48344266 KDVXQHPYFOIAPT-UHFFFAOYSA-N 313.275 3.459 0 40 DGAB COc1ncccc1CNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1 45076284 WFUFFRFMAFABCL-IUODEOHRSA-N 314.385 3.056 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)CCc2ccccc2)cc1 44850099 VXIVCNGQTRWTEE-UHFFFAOYSA-N 319.408 3.430 0 40 DGAB COc1cccc([C@@H](NC(C)=O)c2cc(F)ccc2OC)c1 96445088 NCGHGQROAUMJJW-QGZVFWFLSA-N 303.333 3.068 0 40 DGAB CC(=O)c1sc([C@@H](C)CNC(=O)c2ccccc2)nc1C 96503012 YRNIMPKPRDBQHU-JTQLQIEISA-N 302.399 3.188 0 40 DGAB Cc1cn(C2CCCCC2)nc1NC(=O)c1ccc(F)cc1O 332623782 DAEKGRCNMQHTGG-UHFFFAOYSA-N 317.364 3.794 0 40 DGAB FC(F)(F)Cn1ccnc1Cn1ccc(-c2ccsc2)n1 96413218 HBLXVLVLINOQIL-UHFFFAOYSA-N 312.320 3.419 0 40 DGAB CO[C@@H](CNC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)s1 96385558 VSLJDZNATXXASD-ZFWWWQNUSA-N 319.426 3.328 0 40 DGAB CC[C@@H](NC(=O)NC1CCC(C(F)(F)F)CC1)[C@H]1CCCO1 95440226 RKYOXLGJVHHWIG-FIYWTHMPSA-N 322.371 3.364 0 40 DGAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)[C@@H]2C 96061976 JLONKNOETGFAID-CQSZACIVSA-N 318.490 3.362 0 40 DGAB CCCCNC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96183631 VUJXGOBWBNHIMF-UHFFFAOYSA-N 316.445 3.397 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)COC[C@@H]2CCCO2)c1C 96423791 OCRFWUWGNPOBDH-WMZOPIPTSA-N 317.429 3.163 0 40 DGAB COc1ccc2[nH]cc(C(=O)N3CCC[C@H]3c3nc(C)c[nH]3)c2c1 257312654 UOZNOFCCJMIQLX-INIZCTEOSA-N 324.384 3.185 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](C)N([C@H](C(=O)O)c2cccnc2)C1 583505311 AHORMFMWEVRMHI-KYJSFNMBSA-N 310.397 3.394 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1[C@H]1CCC(=O)N1 585128809 NXALKUXELQUXDG-SZOQZIPDSA-N 312.413 3.403 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@@H]1c1cnccn1 257270840 MVWAGRKBEJRHOJ-QGZVFWFLSA-N 304.353 3.002 0 40 DGAB CC(=O)N1CCN(Cc2cccs2)C[C@@H]1c1ccccc1 257296963 RFEXAPZJFAWQST-QGZVFWFLSA-N 300.427 3.154 0 40 DGAB CC(C)n1ccnc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257209457 BQKZMEPUQOCHLP-OAHLLOKOSA-N 324.432 3.115 0 40 DGAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)CCc2ccccc2)C1 58172958 BWFNPYRZAOGDNH-IRXDYDNUSA-N 316.489 3.492 0 40 DGAB COc1ccccc1C(C)(C)CNC(=O)CC[C@H]1CCCO1 58281659 YALOFVPBNWICEA-CQSZACIVSA-N 305.418 3.048 0 40 DGAB CCc1nnc(CSCc2nc3ccccc3s2)n1C 91027760 WLPJXXDIQXWPQV-UHFFFAOYSA-N 304.444 3.421 0 40 DGAB O=C(C1CC1)N1CCc2cc(-c3cn4ccccc4n3)ccc21 12088182 IXCLMLXKKQDANN-UHFFFAOYSA-N 303.365 3.300 0 40 DGAB CC(C)COC(=O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)OCC(C)C 17302701 BISLPGDYPCUSGZ-FZKCQIBNSA-N 308.418 3.213 0 40 DGAB O=C(NCCC(c1ccccc1)c1ccccc1)N1CCOCC1 6927292 BPFFXJZPVCCWBX-UHFFFAOYSA-N 324.424 3.250 0 40 DGAB c1ccc(OCCCN2CC[C@H]3CN(c4ccccn4)C[C@H]32)cc1 1889130399 TWYXCSCIQWYJGK-PKOBYXMFSA-N 323.440 3.061 0 40 DGAB O=C1CCCN1c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 12376035 OBZVYLSQWOJJPM-UHFFFAOYSA-N 320.392 3.484 0 40 DGAB CC(C)Cn1c(CCNC(=O)c2cccnc2)nc2ccccc21 40181239 UJIFRABBZOEXIT-UHFFFAOYSA-N 322.412 3.060 0 40 DGAB COc1ccc(CC(=O)NCCO[C@H]2CCCC[C@@H]2C)cc1F 40108242 DBYZESNKUFUAQJ-BBRMVZONSA-N 323.408 3.088 0 40 DGAB Cn1cc(C(=O)N[C@H]2CCOc3ccccc32)c2ccccc21 8029364 SCUMZTNVNPYMDH-INIZCTEOSA-N 306.365 3.432 0 40 DGAB CN(C)Cc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1 31232297 AKVMLYWIOALAIM-UHFFFAOYSA-N 320.396 3.186 0 40 DGAB COc1cc2c3c(c1OCc1ccccc1)NCC[C@@H]3NCC2 1619698 GYXBHLYSDHWPLS-HNNXBMFYSA-N 310.397 3.277 0 40 DGAB CCOc1cc(C=O)c(Br)c(Br)c1O 2736408 FZAJTHKPEQTMRV-UHFFFAOYSA-N 323.968 3.128 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCCSC(F)(F)F 40539584 GRZPIPPZYOWSGW-UHFFFAOYSA-N 302.321 3.080 0 40 DGAB Cc1occc1C(=O)NCc1cccnc1OCc1ccccc1 40541208 KYZMKHYXNJOHLW-UHFFFAOYSA-N 322.364 3.492 0 40 DGAB CC(C)c1noc([C@H](C)Nc2cccc(N3CCOC3=O)c2)n1 40511422 DGOBGMGEYFUGNQ-NSHDSACASA-N 316.361 3.323 0 40 DGAB CCOc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)cc1 3526362 XNWIXCHTMDXAIC-UHFFFAOYSA-N 324.336 3.492 0 40 DGAB COc1ccc(CNC(=O)c2cc(-c3cccs3)on2)cc1 3908464 VMIXDUCQLATRIM-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB O=C(O)Cc1csc(-c2ccccc2CN2CCCC2)n1 31944951 ZTFIUGJVEZRHBR-UHFFFAOYSA-N 302.399 3.033 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(F)cc2F)c1 8062592 GOMZCNQYAPQKHW-JTQLQIEISA-N 321.323 3.473 0 40 DGAB NCCc1c(-c2ccccn2)[nH]c2c(Br)cccc12 6733569 XUHOGDNJRBEBGF-UHFFFAOYSA-N 316.202 3.494 0 40 DGAB CCCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1 7263425 RGBURYNNFKDGJU-UHFFFAOYSA-N 301.325 3.094 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)no1 29242941 WBAGOSLGDGWPES-KRWDZBQOSA-N 322.368 3.350 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1F 21938209 FFWLIJBOAPMZNP-SNVBAGLBSA-N 313.332 3.202 0 40 DGAB CC(=O)Nn1c(-c2ccccc2)cn2c(cc3sccc32)c1=O 57721748 ZTGITSOXYXBBTR-UHFFFAOYSA-N 323.377 3.073 0 40 DGAB O=C(Cn1c(=O)cnc2ccccc21)OC1CCCCCCC1 69197199 RXKNVYXONHTQSA-UHFFFAOYSA-N 314.385 3.053 0 40 DGAB CCc1ccccc1NC(=O)[C@H]1CN(C(C)=O)c2ccccc2O1 22401060 WIQLADMCZQAVIH-GOSISDBHSA-N 324.380 3.002 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2 11917446 ALWKTPIHHSUTBX-AWEZNQCLSA-N 318.348 3.489 0 40 DGAB C[C@H]1C[C@H]1C(=O)NCc1cccnc1Oc1cccc(F)c1 43050153 NLYHVGNPVAWQMT-XHDPSFHLSA-N 300.333 3.285 0 40 DGAB CC(=O)N/C(=C\c1ccccc1C)C(=O)N[C@@H](C)c1ccccc1 12293944 WSOKVMQIEJNVFP-CCNLRRDASA-N 322.408 3.349 0 40 DGAB Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)s1 25552998 VCXPLKXZDSSLFF-UHFFFAOYSA-N 302.443 3.308 0 40 DGAB CSc1ncccc1C(=O)Nc1cccnc1N1CCCC1 47225625 MGRPJQMTQZTCKU-UHFFFAOYSA-N 314.414 3.051 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2C)cc1 8328270 SDAWAFPNWRNNSF-IGCXYCKISA-N 317.433 3.140 0 40 DGAB CCC(C)(C)NC(=O)CN[C@@H](c1ccccc1)c1ccccn1 26880086 FYQOSSSNPYWIJR-SFHVURJKSA-N 311.429 3.065 0 40 DGAB O=c1occc2nc(Nc3nc(-c4ccccc4)cs3)ncc12 20799716 IHRJXNOTJKRQRE-UHFFFAOYSA-N 322.349 3.450 0 40 DGAB COc1ccccc1CC(=O)NCc1ccccc1OC(F)F 10114404 ZCKDFOYMDTVBSR-UHFFFAOYSA-N 321.323 3.156 0 40 DGAB Cc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1 10235020 FUJLBWOMIOLTNI-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB Cc1cccc(CSCC(=O)Nc2c(C)nn(C)c2C)c1 45000111 BZMYUHRDXNAKFW-UHFFFAOYSA-N 303.431 3.217 0 40 DGAB CC(C)=CC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3222597 CUFKEOUAGYRQHP-UHFFFAOYSA-N 316.382 3.258 0 40 DGAB CC(C)(C)c1ccc(=O)n(CN2CCC[C@H]2c2ccsc2)n1 66792654 UWFOTLZGUXXNJR-AWEZNQCLSA-N 317.458 3.397 0 40 DGAB COC(=O)C[C@@H](NC(=O)CCC1CCCC1)c1cccs1 48252979 LZWLTDKXNCVZQF-CYBMUJFWSA-N 309.431 3.439 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)OCC(F)(F)F 48344114 YOTPMRIZWUFSKY-LLVKDONJSA-N 320.311 3.095 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)OCc2ccccc2)c1 12939499 PYVWXVSYQPZSPP-CQSZACIVSA-N 312.369 3.248 0 40 DGAB COc1cccc([C@H]2C[C@H](c3ccccc3)n3ncnc3N2)c1 13132247 PXDBNEQWOSGLRQ-IAGOWNOFSA-N 306.369 3.433 0 40 DGAB aggregator C[C@@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccccc1 13598275 BYQWOPLZBUQAPI-CYBMUJFWSA-N 322.364 3.160 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1ccncc1 13692491 AWECMCQRMZGDMB-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB O=C1NC2(CCCCCCC2)C(=O)N1Cc1ccc(F)cc1 13660964 BODYNNAIGSLDCV-UHFFFAOYSA-N 304.365 3.361 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@H]1c1ccc2c(c1)OCO2 69741266 YWFCDVBROYWYQD-AWEZNQCLSA-N 315.394 3.383 0 40 DGAB O=C(COC(=O)c1nccc2ccccc12)Nc1cccc(F)c1 64875520 UXZTTZXZDDABPO-UHFFFAOYSA-N 324.311 3.169 0 40 DGAB COCCOC(=O)Nc1cccc(NC(=O)NCCC(C)C)c1 65595575 WNISONVCACUSMT-UHFFFAOYSA-N 323.393 3.049 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 65513194 CMTJVRWAZNYJJG-VHSXEESVSA-N 324.475 3.017 0 40 DGAB CC(C)CN1CCC(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 65593528 UNORZCVHDDWZAZ-QZTJIDSGSA-N 300.446 3.027 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(Cl)cn2)o1 14139226 YQQVLXHSWXTEMC-NSHDSACASA-N 307.781 3.095 0 40 DGAB COc1ccc(NC(C)=O)cc1Nc1ncnc2ccsc12 8708135 JMUFBHFDVVXXLV-UHFFFAOYSA-N 314.370 3.402 0 40 DGAB CC[C@@H](C)N(C)CCNC(=O)CCc1nc2ccccc2s1 66137520 CMRLXLRBHXLWAK-CYBMUJFWSA-N 319.474 3.075 0 40 DGAB COc1ccc(C(=O)NCc2cccc(Cl)c2)cc1OC 5679433 UXRCCAWSXJDPHU-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Fc1ccc([C@H]2CN(Cc3cccnc3)CCO2)cc1Cl 66844894 GIPOROBVNJCRKC-MRXNPFEDSA-N 306.768 3.448 0 40 DGAB CC(C)C(=O)Nc1cccc(NC(=O)COc2ccccc2)c1 5841729 HQUNWPFGLZPLGL-UHFFFAOYSA-N 312.369 3.299 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(F)ccc1F 6912014 URQLGFCQIOJYTI-NSHDSACASA-N 302.324 3.355 0 40 DGAB Cc1cnc(C(=O)Nc2nc(-c3ccc(C)o3)cs2)cn1 7014768 VKXRLQZLHFZAFQ-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB FC(F)(F)COc1ccccc1CN1CCOC[C@@H]1C1CC1 90008938 GMASNBXERLJWFD-CQSZACIVSA-N 315.335 3.239 0 40 DGAB CCOc1ccc(C(=S)NCc2ccc3c(c2)OCO3)cc1 408574441 QQIKLTBIWYXYFJ-UHFFFAOYSA-N 315.394 3.279 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)C1CCC1 7408899 BVOXRUPTPRCMLX-UHFFFAOYSA-N 302.355 3.277 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7669922 WALBHTZRFLSKRE-DOMZBBRYSA-N 324.833 3.041 0 40 DGAB Cc1cccc(C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)c1O 7701302 FRRXDIASWVSPLB-LLVKDONJSA-N 302.301 3.268 0 40 DGAB CC(C)(C)NC1=NN=C(c2ccc3c(c2)OCCCO3)CS1 9365361 VWHQNHKKGJGTIU-UHFFFAOYSA-N 319.430 3.043 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 9484376 GHEZPKRZYGNKNY-GFCCVEGCSA-N 301.317 3.434 0 40 DGAB CC(C)CC(=O)NCc1cccc(COC2CCOCC2)c1 71894462 YCIKLWTZUFHCTQ-UHFFFAOYSA-N 305.418 3.045 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(N2CCCC2)c(F)c1 71883227 MBBBEZFBMGXWJZ-UHFFFAOYSA-N 302.353 3.018 0 40 DGAB Cc1cc(N(C)[C@H](C)c2ccccn2)nc(-c2ccccn2)n1 71904134 NVFCMVKVHJHJHG-CQSZACIVSA-N 305.385 3.439 0 40 DGAB COCc1nn2c(C)c(C(C)=O)c(C)nc2c1-c1ccccc1 408545303 XPCGKFNNNWQNPI-UHFFFAOYSA-N 309.369 3.362 0 40 DGAB Cc1cc(C)c([C@@H](C)NC(=O)CSc2nncs2)cc1C 9722284 YERNAZKYNWNLCX-GFCCVEGCSA-N 321.471 3.433 0 40 DGAB O=C(Nc1ccc(CCO)cc1)[C@@H]1SCCc2sccc21 89787524 VBWZJSSHZQGUDB-OAHLLOKOSA-N 319.451 3.252 0 40 DGAB c1csc(-c2cc(CSCc3nnnn3C3CC3)no2)c1 72290452 BCWSOJBALAJYQY-UHFFFAOYSA-N 319.415 3.158 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)[C@H](C)Cc3cccs3)C2)no1 72295336 FTWBECJBCIHMJX-YPMHNXCESA-N 319.430 3.024 0 40 DGAB C[C@H](O)CN(C(=O)Nc1ccc2c(c1)COC2)C1CCCCC1 97113539 XCVJBNLBWSHFMA-ZDUSSCGKSA-N 318.417 3.264 0 40 DGAB COc1cccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 95949678 YWNQGQNUWLMVFA-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB C[C@@H](CNc1ccccc1)NC(=O)CCC(=O)c1cccs1 79100558 SQFVWVAYJTWSKG-ZDUSSCGKSA-N 316.426 3.328 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 61946572 ONVVZSHYQMOXLN-NRBFIDCESA-N 304.430 3.138 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)CCc3cccnc3)co2)cc1 73301562 SUCFEZURWHJTMA-UHFFFAOYSA-N 321.380 3.294 0 40 DGAB COc1cccc(Oc2ncccc2CNC(=O)C=C(C)C)c1 78202388 VABYDSMHJOKXRW-UHFFFAOYSA-N 312.369 3.465 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 539916372 DNBJSJMKKWTEGU-ZWKOTPCHSA-N 324.355 3.027 0 40 DGAB CC(C)Cn1ncnc1CN[C@H]1CCCC[C@H]1C(F)(F)F 124682377 YBKBBHISSVQQFZ-NEPJUHHUSA-N 304.360 3.145 0 40 DGAB C[C@](O)(CNC(=O)c1c(F)cccc1Cl)c1ccccc1 70639572 DPLPPVRUCSMRTA-INIZCTEOSA-N 307.752 3.117 0 40 DGAB CCOc1ccc(NC(=O)NC[C@](C)(O)c2ccccc2)cc1 70639821 IASKAXBNWPWBJN-SFHVURJKSA-N 314.385 3.115 0 40 DGAB C[C@@H](NC(=O)c1cccnc1S)c1ccc(-n2cccn2)cc1 75348207 INQIRNJUNMCEDB-GFCCVEGCSA-N 324.409 3.047 0 40 DGAB CC[C@H](OC(=O)c1ccc(C)[nH]c1=O)c1cccc(OC)c1 77962734 VETVQMHOHMJTMZ-HNNXBMFYSA-N 301.342 3.000 0 40 DGAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccncc1 187041508 GCUGFNPEGBPAKR-WBMJQRKESA-N 316.788 3.337 0 40 DGAB Cc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2C)ccc1F 225609673 FLBAQGSWUZTRFV-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344645 AJGBCQPEMPUBKP-GJZGRUSLSA-N 313.328 3.339 0 40 DGAB Cc1ccc(CCNCc2cnc(C)n2-c2ccccc2)cn1 84023912 CNLIVBMIRKLQHD-UHFFFAOYSA-N 306.413 3.216 0 40 DGAB O=C(NCC1=NCc2ccccc2-n2cccc21)c1cccs1 225373043 LJCRLUACLMOAAJ-UHFFFAOYSA-N 321.405 3.272 0 40 DGAB COc1cccc(CCCNC(=S)Nc2ccc(C)cn2)c1 225555022 XQUSQNKESPQVHL-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB Cc1csc(NC(=O)c2cc(OCc3ccccc3)no2)n1 90726440 XCRNEWYUMBXEMT-UHFFFAOYSA-N 315.354 3.271 0 40 DGAB C[C@@H](C(=O)N(C)C1c2ccccc2-c2ccccc21)n1cncn1 81396895 CSFYHGLXPXWHFI-ZDUSSCGKSA-N 318.380 3.068 0 40 DGAB Clc1ccc([C@@H](CNCc2cccnc2)n2cccn2)cc1 83476189 SNWKMWJZQOLVGE-QGZVFWFLSA-N 312.804 3.311 0 40 DGAB c1coc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)c1 96106452 KSTYHTLGGVRPLJ-QGZVFWFLSA-N 319.445 3.325 0 40 DGAB CC[C@@H]1CN(C(=O)Nc2cc(F)c(OC)c(F)c2)CCS1 96434182 QBXSOVRMIXTMDH-SNVBAGLBSA-N 316.373 3.333 0 40 DGAB CCn1cc(C2CCN(c3ncnc4ccsc34)CC2)cn1 97202313 OKGASOYIGTVTOJ-UHFFFAOYSA-N 313.430 3.292 0 40 DGAB CCCn1ccc2cc(NC(=O)NC[C@@H](C)CCO)ccc21 96434658 IKDHHNMCRFYVAV-ZDUSSCGKSA-N 303.406 3.191 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 257323603 WLBHLPVVTLHIGH-GOSISDBHSA-N 319.408 3.430 0 40 DGAB Cn1ncc2c(NCc3cccc(OCC(F)F)c3)ccnc21 283919035 WYYSNOLXYSEBJY-UHFFFAOYSA-N 318.327 3.224 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)C1 96122196 VUSOZJPGXWPIOW-IJDCCNJMSA-N 312.369 3.157 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCCCn1ccnc1 42897526 BSXBKOYLHINYKA-AWEZNQCLSA-N 318.446 3.054 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H]1CCCC[C@H]1C 43832280 UCVLOYAMAQMWNK-RISCZKNCSA-N 324.446 3.099 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)CCCOc1ccccc1 60213668 OMDBYDVTHMNWLN-UHFFFAOYSA-N 311.381 3.444 0 40 DGAB COC(C)(C)C[C@H](C)Nc1cc(C)nc(-c2ccncc2)n1 78402223 ATCDBUGGJWLOLC-ZDUSSCGKSA-N 300.406 3.463 0 40 DGAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccccc1F 952986361 LPYAUGJSCGXFCV-UHFFFAOYSA-N 319.401 3.365 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC)cc1 11636635 JSHBHNSAWQKTGM-HNNXBMFYSA-N 315.369 3.500 0 40 DGAB CCc1ccc2[nH]c(=O)c(CNCc3ccc(OC)cc3)cc2c1 12468831 QPUYRTBCMAEXRI-UHFFFAOYSA-N 322.408 3.389 0 40 DGAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(Cc2ccccc2)C1 15674075 IROPUKCGJODFNW-SJORKVTESA-N 321.380 3.045 0 40 DGAB biogenic,in-vitro COc1ccc(CCNC(=O)CSc2ccc(C)cc2)cc1 16484108 RWCNAXOGJBRSNL-UHFFFAOYSA-N 315.438 3.455 0 40 DGAB O=C(Cc1ccccc1F)Oc1ccc(N2CCCC2=O)cc1 19211347 CIURKESLBCBTDS-UHFFFAOYSA-N 313.328 3.101 0 40 DGAB O=C(NO[C@@H]1CCCCO1)N[C@H](c1ccc(F)cc1)C1CC1 163076307 JGDJXKOHZMYLLT-CABCVRRESA-N 308.353 3.034 0 40 DGAB CCN(C(=O)COc1cc(OC)cc(OC)c1)c1ccccc1 36394226 ZYXVZBBRFLEZMY-UHFFFAOYSA-N 315.369 3.136 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)cc(Cl)c1 9254807 FBMALGOVEFSWIE-UHFFFAOYSA-N 322.151 3.415 0 40 DGAB O=C(Cc1cn2ccccc2n1)Nc1cccc2c1CCCC2 24442649 MVALREMLXOYSPF-UHFFFAOYSA-N 305.381 3.394 0 40 DGAB C[C@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4474110 FHWOFFOJGYKRFW-YBFQDZRDSA-N 321.298 3.407 0 40 DGAB CCn1ccc(C(=O)Nc2ccc3nc(SC)sc3c2)n1 11738119 MJCSKAQTIJYWFW-UHFFFAOYSA-N 318.427 3.487 0 40 DGAB S=C(NC1Cc2ccccc2C1)N1CCCc2ccccc21 4059184 BLJKVVFJOISUEQ-UHFFFAOYSA-N 308.450 3.481 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 44323 CTZLASZXJKOGKZ-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1nc(C(C)(C)C)cs1)C1CCCC1 40015806 GBHNUAZYJQGESA-CYBMUJFWSA-N 323.462 3.074 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1ccc(Cl)cc1Cl 809515 QXQPSZOWWNBMMO-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NC(C)(C)C 3313589 UVFPQBOBHCTYRG-LBPRGKRZSA-N 304.434 3.017 0 40 DGAB Cc1csc(=O)n1CC(=O)OCc1cccc2ccccc12 3440264 VSZZBLVFLIJIHC-UHFFFAOYSA-N 313.378 3.115 0 40 DGAB Cc1ccc(C)c(CN2C(=O)NC3(CCCCCC3)C2=O)c1 3545605 FKRCJRUBEOOKLO-UHFFFAOYSA-N 300.402 3.448 0 40 DGAB CCOc1ccc(C(=O)C[C@@H](NC2CCCCC2)C(=O)O)cc1 5336399 CTZFYCNJLJYWDB-MRXNPFEDSA-N 319.401 3.034 0 40 DGAB CC(C)(C)NC[C@H](O)COc1ccc(O)cc1C1CCCC1 5352892 PYXBIIXXYVBVLU-HNNXBMFYSA-N 307.434 3.178 0 40 DGAB in-vitro CC[C@H](C)NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 5928822 AMSGVOHJKCOBPM-ZDUSSCGKSA-N 309.841 3.279 0 40 DGAB Cc1cccc(C(=O)OCc2nc(-c3cccs3)no2)c1O 7157860 YTDFEWPZOLCXCE-UHFFFAOYSA-N 316.338 3.169 0 40 DGAB O=C(NCc1ccccn1)c1c2c(nc3ccccc13)CCCC2 8117944 LUUKBVCEINUIKJ-UHFFFAOYSA-N 317.392 3.439 0 40 DGAB COc1ccc(NC(=O)CN2Cc3ccccc3C2)cc1Cl 8161588 WTQNOYGNJRVNST-UHFFFAOYSA-N 316.788 3.303 0 40 DGAB CCOc1ccc(Cl)cc1CNn1c(CC)n[nH]c1=S 8339086 JNVQGAGPWYLWLN-UHFFFAOYSA-N 312.826 3.299 0 40 DGAB C[C@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1 8498065 YFUPVFZRJSUVJV-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB CCCCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C 8714770 QDVGZKKCESEEPJ-UHFFFAOYSA-N 311.447 3.349 0 40 DGAB COc1cc(C=O)ccc1OCCCN1C[C@H](C)C[C@@H](C)C1 8731459 OORCWKMBMDLTPT-HUUCEWRRSA-N 305.418 3.255 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2NC1=O 8745755 OLFBINWIUMVJGJ-VIFPVBQESA-N 316.744 3.312 0 40 DGAB C[C@@H]1CCc2noc(NC(=O)COc3cccc(Cl)c3)c2C1 11915473 LSMXFEBTTHTWOW-SNVBAGLBSA-N 320.776 3.470 0 40 DGAB CCc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12894113 KBIJUCJIRAKAIP-UHFFFAOYSA-N 319.408 3.424 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1COc2ccccc2C1 12921442 YZVRTZLRRCHHJU-GFCCVEGCSA-N 319.307 3.478 0 40 DGAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(Cl)cc2)c1 13084488 JAHFCZXHDMKSIH-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(N[C@H](Cc1cccs1)c1nccs1)c1ccncc1 19343323 HGXDZSMWPMUKBR-CYBMUJFWSA-N 315.423 3.313 0 40 DGAB Cc1c(C(=O)NCCC2=CCCCC2)[nH]c2c1C(=O)CCC2 21002958 YOQPCFIPLMCKOD-UHFFFAOYSA-N 300.402 3.462 0 40 DGAB COc1cccc(C(=O)NCCCc2ccc(N(C)C)cc2)c1 23001815 UNQJWWGGBAAGHQ-UHFFFAOYSA-N 312.413 3.124 0 40 DGAB Cc1cc(C)cc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)c1 23153693 XVWFVKNDOLNJSL-OAHLLOKOSA-N 323.400 3.023 0 40 DGAB Cc1c(C(=O)N(C)Cc2ccsc2)[nH]c2c1C(=O)CCC2 23957727 GLDCNVYPNGKBHL-UHFFFAOYSA-N 302.399 3.176 0 40 DGAB C[C@H](CC(=O)Nc1cccnc1-n1cccn1)c1ccccc1 25009633 FJYXHWIKKNJTST-CQSZACIVSA-N 306.369 3.400 0 40 DGAB CC(C)c1ccc(S[C@@H](C)c2nc(N)nc(N(C)C)n2)cc1 28190884 LKXVPATYOBZDRP-NSHDSACASA-N 317.462 3.497 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2cccc3cccnc23)n1 28222854 FQJJLPIXJJRTRN-UHFFFAOYSA-N 300.749 3.357 0 40 DGAB Cc1nnsc1C(=O)Nc1nc(-c2ccccc2)cs1 28247724 BJOPDUTWKOIMFV-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB O=C1c2ccccc2CC[C@H]1Sc1noc(-c2ccncc2)n1 28527098 JWIZVOQQAULDNP-CQSZACIVSA-N 323.377 3.421 0 40 DGAB CC[C@@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1 29217686 PVCISAHLPFLJNX-QGZVFWFLSA-N 320.396 3.077 0 40 DGAB CC(C)n1nccc1NC(=O)CSc1ncccc1Cl 31850309 SXAUFOGMGQWLHS-UHFFFAOYSA-N 310.810 3.243 0 40 DGAB C[C@@H]1CC(=O)c2c(OCC(=O)NC3CCCC3)ccc(Cl)c21 32815516 NTWIAFLVPSBBAA-SNVBAGLBSA-N 321.804 3.468 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccccc1F 32869600 SSDSTJRMYAFRNM-UHFFFAOYSA-N 319.401 3.226 0 40 DGAB CCC(C)(C)NC(=O)c1cc2c(OC)cc(OC)c(OC)c2[nH]1 32967722 CJUFWILAIIBEBG-UHFFFAOYSA-N 320.389 3.112 0 40 DGAB COc1ccc(CCNCc2ccc(Br)o2)cc1 34863245 QRTCWUVDEUWKCU-UHFFFAOYSA-N 310.191 3.383 0 40 DGAB O=c1cc(CNc2cc(F)cc(F)c2)nc2ccc(Cl)cn12 40477318 KFZNKFQEXSAQNQ-UHFFFAOYSA-N 321.714 3.238 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]2CCCC[C@H]21 41194950 OPUINCBKNLBWQK-ZIAGYGMSSA-N 313.319 3.489 0 40 DGAB COc1ccc(-c2nc(COc3cccc(C(N)=O)c3)co2)cc1 42113331 OSIKACNYVIHPIN-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(-c2nnco2)c1 44087585 GJZIMSUEYNCWIW-VXGBXAGGSA-N 315.377 3.036 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N(C)Cc1ccco1)CO2 47721409 SWOSMTFJNZQTPS-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB Cc1nc(CCNC(=O)N2c3ccccc3C[C@H]2C)cs1 48234267 IZJXFEKPQBDLLS-LLVKDONJSA-N 301.415 3.155 0 40 DGAB O=C(NCCc1ccc(OC(F)(F)F)cc1)C1CCCC1 48326467 MSWJROKGWSZQSJ-UHFFFAOYSA-N 301.308 3.434 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCCc2cccs2)n1 48333751 RIVSGEJJLYQODC-ZDUSSCGKSA-N 319.474 3.337 0 40 DGAB O=C(CN1CCc2ccccc21)N(Cc1cccs1)C1CC1 48339850 RTUHKBFZHSZESJ-UHFFFAOYSA-N 312.438 3.302 0 40 DGAB Cc1cc(C)n(CC(=O)N2CCCCC[C@H]2c2ccncc2)n1 49764375 FJFOFGXVKBSZEV-KRWDZBQOSA-N 312.417 3.039 0 40 DGAB Cc1nc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)oc1C 50247927 CPRGTCXGJGQPRP-CQSZACIVSA-N 319.430 3.120 0 40 DGAB CC(C)c1nc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)no1 52876276 UUXYGRSGIJZMLD-UHFFFAOYSA-N 321.686 3.075 0 40 DGAB CCOC(=O)Nc1ccc(NC(=O)CC(C)(C)CC(=O)O)cc1 55149348 LFWFFBBPRHGYSW-UHFFFAOYSA-N 322.361 3.085 0 40 DGAB COc1cc(C)ccc1NC(=O)c1cnn(-c2ccccn2)c1C 55819298 WFGLOUBJLHKGRO-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1oc(C)c(C(=O)OCCc2c[nH]nc2C(F)(F)F)c1C 56230916 UGKBNABJGLYYGZ-UHFFFAOYSA-N 316.279 3.346 0 40 DGAB CC(C)OC(=O)c1nnc2sc(-c3ccccc3Cl)nn12 57332573 RCFHKIOIWRXHIV-UHFFFAOYSA-N 322.777 3.071 0 40 DGAB CCOc1ccccc1CNC(=O)N(C)Cc1csc(C)n1 62656028 DDEPHOKJKXFFJN-UHFFFAOYSA-N 319.430 3.192 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@H](n4cccn4)C3)oc12 65608128 VYUULPCRRIOWJV-HNNXBMFYSA-N 309.369 3.415 0 40 DGAB O=C(NC1CCC(O)CC1)N1CCC[C@@H](c2ccccc2)CC1 67042137 HFHVFKYINVUPOT-WWDZGPRUSA-N 316.445 3.269 0 40 DGAB Cc1ccc(C(=O)Cn2c([C@@H](C)O)nc3ccccc32)s1 69161101 QGTRIGCXKBKFFN-LLVKDONJSA-N 300.383 3.342 0 40 DGAB Cc1cccn2c(NC(=O)[C@@H]3CCOC3)c(-c3ccccc3)nc12 69327070 YZRYTOZADUVLIQ-OAHLLOKOSA-N 321.380 3.285 0 40 DGAB O=C(Nc1ccncc1)c1csc(C(=O)Nc2ccncc2)c1 69462822 HZTUYHFBBBEJPF-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@@H](n2cccn2)C1 69486446 PKQNKBXFOOSGFR-CYBMUJFWSA-N 301.415 3.299 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)sc2C)C1 69559534 HTXARCBNBRFTMN-AWEZNQCLSA-N 322.474 3.133 0 40 DGAB CC(C)CNC(=O)C[S@@](=O)Cc1ccc(Cl)c(Cl)c1 69589773 PYUWSCGBDMAJPR-LJQANCHMSA-N 322.257 3.014 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[C@H](c2ccccc2)C1 69653425 QBRKNQWLMQZDOJ-NJAFHUGGSA-N 300.446 3.171 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]2c2ccccc2)c1 71824388 XOGYTUSPJCWEBV-ROUUACIJSA-N 308.381 3.065 0 40 DGAB CC(C)(c1ccccc1)c1nnc(NC(=O)N2CCCC2)s1 71883786 NEMFYBCNPFKHKB-UHFFFAOYSA-N 316.430 3.492 0 40 DGAB CCc1cc(NC(=O)c2cnc(-c3ccsc3)s2)[nH]n1 71900746 MUUJTSBMMLKUEG-UHFFFAOYSA-N 304.400 3.409 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)NCc1cccc(-n2cccn2)c1 71910277 DBOJPDPNIIGBMA-AWEZNQCLSA-N 324.384 3.368 0 40 DGAB Cc1cc(=O)[nH]cc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218136 CTZYFPVZLBRPDP-MRXNPFEDSA-N 312.369 3.157 0 40 DGAB COc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(C)cc2)cc1Cl 72227897 UYSUITJIZRLCAG-CVEARBPZSA-N 316.788 3.072 0 40 DGAB CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](C)CCC[C@H]2C)c1 72295446 NOFWSKYYNWZDMM-LSDHHAIUSA-N 316.445 3.429 0 40 DGAB CCCN1CCN[C@@H](Cc2ccccc2-c2ccccc2)C1=O 72352862 KAASVOQWBGUBOE-IBGZPJMESA-N 308.425 3.107 0 40 DGAB O=C(c1cccnc1)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368238 HPSHAJNROYSAJB-INIZCTEOSA-N 317.392 3.335 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)c2cccnc2C)cc1OC 74609863 GEYNKFJSVDNCAD-LLVKDONJSA-N 318.348 3.037 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)CCCNC(=O)C1CC1 84077368 FMWHMDGROLXYLS-UHFFFAOYSA-N 318.417 3.069 0 40 DGAB O=C(Nc1cccc(CNC(=O)[C@H]2C[C@@H]2C2CC2)c1)C1CCC1 84374380 PCDZSCUZKDJIKP-SJORKVTESA-N 312.413 3.088 0 40 DGAB CCOC(=O)c1cnn(-c2ccc(-c3ccccc3)cc2)c1N 85397793 NNQAQMIYMPOFCP-UHFFFAOYSA-N 307.353 3.298 0 40 DGAB C[C@H](N[C@H](C)c1cnccn1)c1cnn(Cc2ccccc2)c1 90853481 SJLGZPLCPCZNJC-LSDHHAIUSA-N 307.401 3.133 0 40 DGAB O=C(O)c1ccc(F)c(NC(=O)c2ccc3ncccc3c2)c1 95396983 QSZRHGFDQXMCQU-UHFFFAOYSA-N 310.284 3.324 0 40 DGAB CS(=O)(=O)[C@@H]1CCC[C@@H](NCc2cc3ccccc3s2)C1 95412260 GJIHNXHHEIERHS-UKRRQHHQSA-N 323.483 3.347 0 40 DGAB C[C@H](CCn1cncn1)NCCc1cc(Cl)cc(Cl)c1 95421062 LAOASOFTEBNNFH-LLVKDONJSA-N 313.232 3.196 0 40 DGAB Cc1nc(C)c(C(=O)NC[C@H](C)c2nc3ccccc3s2)o1 95427163 URRKYCUGFQCQGG-VIFPVBQESA-N 315.398 3.435 0 40 DGAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)Cc2ccon2)c1 95449968 WFQAUMBNAXJDPC-UHFFFAOYSA-N 321.764 3.248 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2coc3ccccc23)C2CC2)n1 95450858 HAJOFXYVRIGJEZ-MRXNPFEDSA-N 307.353 3.412 0 40 DGAB CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)cc1C=O 95803836 ZXLBULFJWSZYOM-UHFFFAOYSA-N 313.140 3.168 0 40 DGAB Cc1ccc(CN2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)o1 96046258 TYZFYVSPXWMWOO-AEGPPILISA-N 304.415 3.397 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc(-c3cccnc3)no2)c1 96183993 OKMCJWCDRLXUHU-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Clc1ccc(-n2cc(CSC3=NCCS3)nn2)cc1 96467292 HISCBZCRZOTDTB-UHFFFAOYSA-N 310.835 3.257 0 40 DGAB O[C@@H](Cn1cc(Cl)cn1)c1ccccc1Br 96484756 ZWZIKDASOLEAFM-NSHDSACASA-N 301.571 3.033 0 40 DGAB Clc1ccc(-c2cc(CN3CCn4ccnc4C3)on2)cc1 97201227 GESNRAFKMWEIPV-UHFFFAOYSA-N 314.776 3.207 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)N(C)C[C@H](C)c2nccs2)C1 108497190 CNVCJZAQGDZXKW-QJPTWQEYSA-N 313.492 3.172 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccc(C)cc2)ccc1OC 113970874 AQXRWPMPPJJZTI-UHFFFAOYSA-N 305.399 3.367 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N[C@@H]1CCCc2ccccc21 129010908 YFLQSVVEWKZFNM-MRXNPFEDSA-N 309.365 3.152 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 222949889 KOAPBBMQXRAPBF-HUUCEWRRSA-N 300.431 3.182 0 40 DGAB CC(C)c1ccccc1OCCNC(=O)COc1ccccc1 223743243 PEFHIHQLPMQUJM-UHFFFAOYSA-N 313.397 3.384 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)Cc2ccccc2F)c1 224051004 IQISAYJAGUPGDB-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccccc1C 224414185 BPXLENMHBLTCPG-INIZCTEOSA-N 313.397 3.266 0 40 DGAB C[C@H](O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 226272929 KRQANUBXQPKCTK-VIFPVBQESA-N 321.174 3.150 0 40 DGAB O=C(O)C[C@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 227115053 GOVACRHGHMRMSP-HNNXBMFYSA-N 315.344 3.091 0 40 DGAB CN(C)c1cc([C@H]2CCCN2C(=O)c2ccsc2)ccn1 257256593 KMDQPFNNOPEDAQ-CQSZACIVSA-N 301.415 3.186 0 40 DGAB C[C@@]12CCN(C(=O)c3ccc(F)c(Cl)c3)[C@@H]1CC[C@@H](O)C2 257313330 URXPBBYNMJJJDP-XFJVYGCCSA-N 311.784 3.245 0 40 DGAB C[C@@H]1O[C@H](C)[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)[C@H]1C 528204024 FXIPULDZLYODFZ-JRATXPSKSA-N 324.428 3.251 0 40 DGAB Cc1cn(C(C)(C)C(=O)Nc2ccc(N3CCCC3)cc2)cn1 585131697 DGMFYQOUTLNEOP-UHFFFAOYSA-N 312.417 3.166 0 40 DGAB CO[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccc(F)cc1 643914663 VFHGBFNXCSDSNK-RHSMWYFYSA-N 320.433 3.362 0 40 DGAB Clc1ccc2nc(N3CC(COc4cccnc4)C3)oc2c1 2298224365 VSGYPHYRBDSSGN-UHFFFAOYSA-N 315.760 3.391 0 40 DGAB CCOc1ccc(C(=O)Nc2cccnc2)cc1Br 258675 GQPGUUBIXZWYPT-UHFFFAOYSA-N 321.174 3.495 0 40 DGAB Cc1ccc(C)n1-n1c(C)nc2sc3c(c2c1=O)CCCC3 350848 ZUSGVAVHTSSXFV-UHFFFAOYSA-N 313.426 3.375 0 40 DGAB CC1(C)[C@]2(C(=O)NCc3ccc(F)cc3)CC[C@@]1(C)C(=O)C2 1062376 LRUWSXPCOBBAIV-ZWKOTPCHSA-N 303.377 3.227 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1470740 JQCNVNTWSJOMGP-CQSZACIVSA-N 321.735 3.425 0 40 DGAB Cc1c(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)cnn1C 2803938 NTUBQYSZKWOORT-LLVKDONJSA-N 316.405 3.120 0 40 DGAB O=C(NCCc1ccccc1)NC(C(F)(F)F)C(F)(F)F 3094897 LTYMBFQRWBYKSE-UHFFFAOYSA-N 314.229 3.022 0 40 DGAB COc1ccc(NC(=O)CSc2nc(C)cs2)cc1OC 3413971 OTQWIIYIBIRAEO-UHFFFAOYSA-N 324.427 3.200 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1ccc(SC)cc1 4517672 ZTUNDCFLXPXHLF-UHFFFAOYSA-N 306.412 3.082 0 40 DGAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(F)c(Cl)c1 4614596 ZGTPSBXINNLAJG-HTEOGMQZSA-N 311.740 3.165 0 40 DGAB COc1cc(C)c(COc2ccc3c(c2)OCO3)cc1OC 5938673 CUQQVHNHPILUDN-UHFFFAOYSA-N 302.326 3.320 0 40 DGAB O=C(COc1ccc(F)cc1Cl)Nc1nc2ccccc2[nH]1 6971281 QXNCJSXJFFKGLM-UHFFFAOYSA-N 319.723 3.373 0 40 DGAB CC[C@H](NC(=O)COc1ccccc1F)c1ccc(OC)cc1 7037362 AXMFSIIMGJJMJK-INIZCTEOSA-N 317.360 3.481 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 9315948 GLJSRYUYXSMHNA-GFCCVEGCSA-N 310.353 3.275 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)[C@H]1CC(=O)N(C2CCCC2)C1 9363948 RTNDNNOCRNKIIZ-JTQLQIEISA-N 324.783 3.209 0 40 DGAB CCN(CC)c1cc(C)nc(Nc2ccc(NC(C)=O)cc2)n1 9573373 OJXRDZWNOQSTPU-UHFFFAOYSA-N 313.405 3.333 0 40 DGAB O=C(NCCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 10372657 JXDUIRBGWYARHE-UHFFFAOYSA-N 318.376 3.137 0 40 DGAB Nc1ccc2c(c1)N(S(=O)(=O)c1ccc(Cl)cc1)CCC2 11848943 HOZSLJYUVOMDCT-UHFFFAOYSA-N 322.817 3.064 0 40 DGAB CCCn1cnc(NCc2cccc(OCc3cccnc3)c2)n1 12222106 JKXKLPJWOGSGQA-UHFFFAOYSA-N 323.400 3.274 0 40 DGAB Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)no1 12522113 DWJXDGCGWCILKN-MRXNPFEDSA-N 308.341 3.289 0 40 DGAB CN(C)c1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 12533498 RQPQTKPTGWDVFI-UHFFFAOYSA-N 320.396 3.250 0 40 DGAB CCOCCOc1ccc(C(=O)Nc2cc(N)ccc2F)cc1 19736784 GYDLHXPLBQXQNZ-UHFFFAOYSA-N 318.348 3.076 0 40 DGAB COc1cccc(CN2CCN(CCCc3ccccc3)CC2)c1 19842127 LZJMKUQXFWCVNF-UHFFFAOYSA-N 324.468 3.446 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc(Cl)c(C(=O)O)c1 20144593 KVLWMZWKICAFFC-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3sccc3C)CC2)c1 21965692 JXBSCMDAXPXAHB-UHFFFAOYSA-N 300.427 3.327 0 40 DGAB COc1cccc(CCC(=O)N[C@H]2CCCC[C@@H]2C)c1OC 23293260 YRHURUXETVPOKU-ZFWWWQNUSA-N 305.418 3.331 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2cccc(Nc3ncccn3)c2)C1 24490892 RJUPYTBEKIWQJR-OKILXGFUSA-N 310.401 3.338 0 40 DGAB COc1cccc(CCC(=O)Nc2nc3c(s2)CCC3)c1 25769190 CBVIEBNCNFVANY-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB CCOC(=O)N[C@H](Nc1ccc(C)cc1)C(=O)c1ccccc1 28294175 MIOSZOOUEKDAAY-KRWDZBQOSA-N 312.369 3.362 0 40 DGAB COc1ccc(CCN(C)C(=O)c2cc(Cl)c[nH]2)cc1OC 30779546 ZSFMOYACNGLXMS-UHFFFAOYSA-N 322.792 3.000 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N2CCCCC2)cc1OC 30856291 IYMSAWMZUHZTDZ-GFCCVEGCSA-N 309.431 3.197 0 40 DGAB Clc1ccc(CNCc2nncn2-c2ccccc2)s1 30907972 PKDQKQLRKBVRCD-UHFFFAOYSA-N 304.806 3.272 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2N(C)Cc1ccccc1 32124387 KTCPMDORVOBCFD-QGZVFWFLSA-N 313.353 3.005 0 40 DGAB biogenic Cc1cccc(-c2nc(CSc3nc(C4CC4)n[nH]3)no2)c1 32331061 AENPPTZDVPMODM-UHFFFAOYSA-N 313.386 3.333 0 40 DGAB COc1ccc(C(=O)NCc2cccc(CN3CCCC3)c2)cc1 32461951 HWUXUPXBZRYUFK-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB CCCOc1cc(S(=O)(=O)NCC(C)C)ccc1Cl 36638896 ZCPCEDBZOBNTPP-UHFFFAOYSA-N 305.827 3.063 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(Cn2ccnc2)cc1 38832921 CUWREHVTACNDEG-UHFFFAOYSA-N 305.381 3.204 0 40 DGAB C[C@H](SCc1ccccc1)C(=O)Nn1cnc2ccccc21 40144384 XYBSXVYASGWFDS-ZDUSSCGKSA-N 311.410 3.428 0 40 DGAB CNC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccccc1 40155002 NJPVBQAWNSBWIU-JXMROGBWSA-N 314.772 3.352 0 40 DGAB O=C(c1cccc(C2OCCO2)c1)c1cc(F)c(F)c(F)c1 43212598 JMRRXKDNTHIGQU-UHFFFAOYSA-N 308.255 3.380 0 40 DGAB COc1ccccc1CN(C)C(=O)CCc1ccccc1F 47341036 FTXSMKHFAINQMT-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1 57472214 XREHAKJRZUTIBA-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COC(=O)c1cccc(C(=O)N2CCSc3ccccc32)c1 59250417 QFHKWKHYHGYZJD-UHFFFAOYSA-N 313.378 3.226 0 40 DGAB CC1CCN(C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)CC1 61573218 HFBFLOCEBQBHRG-UHFFFAOYSA-N 319.380 3.216 0 40 DGAB CCCc1noc([C@@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1 61794005 GLGNPXQVPNMQRV-SVTZGKHISA-N 320.414 3.211 0 40 DGAB Nc1c(-c2ccccc2)nsc1C(=O)NCc1ccccc1 67334727 WRCOPUZYQCBHOV-UHFFFAOYSA-N 309.394 3.322 0 40 DGAB C[C@H](Nc1cccc(-c2ccsc2)c1)C(=O)N1CCOCC1 69442085 DQUTYHCQZZVSGI-ZDUSSCGKSA-N 316.426 3.074 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c(C)o1 69454388 QVUZGCDTQIGFKO-GHMZBOCLSA-N 318.421 3.368 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3ccnc3)cc2)c1 69512735 BAKLJXSKFJDHHC-HZPDHXFCSA-N 309.417 3.117 0 40 DGAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1cccnc1 69532517 IMHHUQNHFBZBKZ-UHFFFAOYSA-N 322.767 3.163 0 40 DGAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl 69538215 LOPJHECNSTYGOW-ZRNGKTOUSA-N 322.257 3.157 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 69656925 PLSRGSMAMNXPSJ-NSHDSACASA-N 318.398 3.369 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 69771352 YKAXCQMAKRORST-CQSZACIVSA-N 315.442 3.219 0 40 DGAB Cc1noc(CNC(C)(C)Cc2ccc(Br)cc2)n1 71893045 JWHZTIWJPIFFKI-UHFFFAOYSA-N 324.222 3.251 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227654 PCHIHNKCUXGBPI-UONOGXRCSA-N 324.277 3.260 0 40 DGAB O=c1c(C(F)(F)F)cc(C2CC2)nn1CCc1ccccc1 77557911 XFDMVVXLBPLDMR-UHFFFAOYSA-N 308.303 3.382 0 40 DGAB C[C@@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1cccc(Cl)c1 78939759 GWSPEQIWKMGTON-BDJLRTHQSA-N 322.792 3.201 0 40 DGAB CSc1nc(C(=O)N(C2CC2)[C@@H](C)C2CC2)c2ccccn12 84636301 OHQJLVAQXOTPAZ-NSHDSACASA-N 315.442 3.459 0 40 DGAB O=C([C@H]1CCOc2ccccc21)N1CCOc2ccc(F)cc21 88264817 UOJGCYAIUOLJCS-AWEZNQCLSA-N 313.328 3.117 0 40 DGAB CCOCCCn1c(CCC(=O)O)nc2ccc(Cl)cc21 95095712 RBYNVTNSTMJPJP-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB CN(C(=O)c1ccn(C2CCCC2)n1)c1ccc2c(c1)OCO2 95440622 ZFRGLPIODKBYEX-UHFFFAOYSA-N 313.357 3.004 0 40 DGAB CC(C)N(Cc1cc(F)cc(Br)c1)C[C@H](C)O 95963692 WHBDYJJNRMMESL-JTQLQIEISA-N 304.203 3.179 0 40 DGAB CCCCN(C(=O)c1cnc2scc(C)n2c1=O)[C@H](C)CC 95988763 DSHJAJKSZOQJOG-LLVKDONJSA-N 321.446 3.105 0 40 DGAB Fc1cc(-c2noc([C@@H]3CCn4cncc4C3)n2)cc(F)c1F 96009450 JGTUMRKVBTYUSX-MRVPVSSYSA-N 320.274 3.080 0 40 DGAB COC[C@H](C)NC(=O)Nc1sc(-c2ccccc2)nc1C 96010725 BSOJXFHCJXNHNF-JTQLQIEISA-N 305.403 3.275 0 40 DGAB CC(C)CN1C(=O)[C@@]2(CCN(Cc3ccoc3)C2)c2ccccc21 96100296 LZQLLFRNPORNGT-HXUWFJFHSA-N 324.424 3.426 0 40 DGAB CCc1nnc(CN[C@H](C)c2ccccc2C(F)(F)F)n1C 96402679 GHQLLYFQKOOWPQ-SNVBAGLBSA-N 312.339 3.247 0 40 DGAB CCO[C@H](C)c1nc(CN2CCC(NC(C)C)CC2)cs1 96413228 VHDLFKFAASPQAG-CYBMUJFWSA-N 311.495 3.203 0 40 DGAB CCCOc1ccc(NC(=O)N[C@H]2CCC[C@H]2CO)c(C)c1 96434214 AALGIJFYGJFAFK-BBRMVZONSA-N 306.406 3.066 0 40 DGAB CC(=O)N1CCC(C(=O)O[C@H]2C[C@@H](C)CC[C@@H]2C(C)C)CC1 96452603 CABMOACFGDQBHT-XKQJLSEDSA-N 309.450 3.249 0 40 DGAB COc1cccc(OC)c1CC(=O)N[C@@H](C)Cc1ccsc1 96461944 INDCLDVUXCAAMA-LBPRGKRZSA-N 319.426 3.055 0 40 DGAB Cc1cnccc1NC(=O)N(Cc1ccco1)C[C@@H]1CCCO1 96489250 RJTNLCFSAMGFOY-HNNXBMFYSA-N 315.373 3.196 0 40 DGAB CN(Cc1nc2c(s1)CCC2)[C@H](CCO)c1ccccc1 97033951 UJTBFEOULKNYLX-OAHLLOKOSA-N 302.443 3.187 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@@H](O)c1cccc(Cl)c1 97159582 YFXJWUMMZAAFIC-CQSZACIVSA-N 307.825 3.184 0 40 DGAB C[C@H](Nc1cnn(C[C@H]2CCCO2)c1)c1nc2ccccc2o1 97377296 TUVPWUZBKOHXKN-GXTWGEPZSA-N 312.373 3.376 0 40 DGAB CN(C)C(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 103065875 BDQMXQACOGWKGS-SFHVURJKSA-N 322.408 3.366 0 40 DGAB Cc1cnc(N2CC[C@H]3OCCC[C@@H]3C2)c(Br)c1 194323890 PBPWLPRCTUBDEE-DGCLKSJQSA-N 311.223 3.158 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C(=O)NC)c1ccccc1 223341619 BFKCSWVCSCHAHH-LJQANCHMSA-N 324.424 3.303 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)CSC1CCCC1 225597310 UVDRTPHVULSFIO-ZDUSSCGKSA-N 319.470 3.345 0 40 DGAB COc1cccc(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c1 225607882 QQJSRNCSKGFGMO-MRXNPFEDSA-N 319.788 3.202 0 40 DGAB COc1ccc(CCC(=O)NCCCOC2CCCC2)cc1C 225787867 IIHJFKOTMQWCKI-UHFFFAOYSA-N 319.445 3.402 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccc(C(F)(F)F)cc3)=NN[C@H]2C1 228939346 ISHDJVITTSGJRM-WCQYABFASA-N 310.319 3.387 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 253504578 HMFQSUMWKTYRNZ-UGOMVEEKSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro Cc1ccc2snc(C(=O)N3CCC[C@H]3c3ccn[nH]3)c2c1 295264133 HBUIGHQTDLPTRY-ZDUSSCGKSA-N 312.398 3.305 0 40 DGAB Cc1ccnc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)n1 301270948 JYJQJJMDSKBKRM-UHFFFAOYSA-N 322.334 3.130 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)o1)c1ccco1 390831547 SLKMMGPHROQRHD-LLVKDONJSA-N 303.339 3.065 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1ccccc1-n1cccc1 408567053 KQVIZPQMHPPLDE-UHFFFAOYSA-N 307.353 3.092 0 40 DGAB Cc1ccccc1[C@H]1CN(CCC(C)(C)CC(=O)O)CCO1 566359608 KIPVFPNAQFDQEK-MRXNPFEDSA-N 305.418 3.259 0 40 DGAB NC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1 577184763 XXPROXJOSZZBIU-IAGOWNOFSA-N 308.381 3.308 0 40 DGAB O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1ccncc1 585090766 GIBJVDVBONLCFA-UHFFFAOYSA-N 322.286 3.399 0 40 DGAB COc1ccc(-c2nccc(N(C)C[C@H]3CCCOC3)n2)cc1 585097971 DJLOGKBRFXNQBV-CQSZACIVSA-N 313.401 3.015 0 40 DGAB Cc1c(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cnn1C 58406922 UXUYAOFUWVPCJF-KRWDZBQOSA-N 307.353 3.070 0 40 DGAB CC[C@H](SC[C@@H](O)c1ccccc1)C(=O)Nc1cc(C)on1 58420935 BUODRHRZCREULC-KGLIPLIRSA-N 320.414 3.167 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cccc(OC)c2)c1 563878 MMVIYNACLFYXSJ-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1OC 1000533 XUZHVHHEVOLBPK-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CC[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 1381153 OZGZGCJHHLARKW-CYBMUJFWSA-N 321.373 3.139 0 40 DGAB CCN(C(=O)NS(=O)(=O)c1ccc(C)cc1)C1CCCCC1 3257549 OQGODXJMZIWZOD-UHFFFAOYSA-N 324.446 3.048 0 40 DGAB COc1ccccc1OCC(=O)N[C@@H](C)CCc1ccccc1 3383427 WOSAKCOIUUSSGP-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)[C@H]1CCCc2ccccc21 40543147 TWXAUZFIFQOIRT-INIZCTEOSA-N 305.399 3.284 0 40 DGAB O=C(N1C[C@@]23C=C[C@@H](C[C@H]2CC12CCCCC2)O3)C(F)(F)F 6015944 BVTSSCUBMWQVDQ-HUBLWGQQSA-N 315.335 3.198 0 40 DGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)Nc1ccccc1 7914061 NKMRCNCOLAAQBN-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CCOc1ccc(CNCCc2ccc(OC)cc2)cc1OC 8324701 QPQPLQTUANCPEQ-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB CCOC(=O)N1CCC(Nc2nc3ccccc3s2)CC1 21031883 BPVHSQXOOBPJGO-UHFFFAOYSA-N 305.403 3.329 0 40 DGAB Cc1nc(/C=C/C(=O)N2CC[C@H](Nc3ccccc3)C2)cs1 69705649 MIJWPKOKJNLESA-KIUWMYQTSA-N 313.426 3.178 0 40 DGAB Cc1ccccc1N1C(=O)/C(=C/c2cccs2)NC1=S 9188244 XRTFQBLSUDNVBE-XFXZXTDPSA-N 300.408 3.319 0 40 DGAB COC(=O)[C@@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 489389 WSKITRCJXGSZJN-GFCCVEGCSA-N 324.332 3.400 0 40 DGAB biogenic Cn1cc(C(=O)N2CCC[C@@H]2Cc2c(F)cccc2Cl)cn1 46635416 ICYXYIFEFAYAJR-GFCCVEGCSA-N 321.783 3.060 0 40 DGAB Cc1ccccc1OCCNC(=O)CCc1ccc(F)cc1 55954816 JWYFVNHQDLFZRW-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCC(=O)N2 21890616 SABUTQJBJDFJRA-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB Cc1ccc([C@@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 52907368 CSBODSHHMWKMKB-GFCCVEGCSA-N 313.426 3.486 0 40 DGAB O=C(O)Cc1cnc(-c2ccc(OC(F)(F)F)cc2)s1 12243759 KHIGNDLKHUZIEQ-UHFFFAOYSA-N 303.261 3.336 0 40 DGAB CSc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@H](C)C1 109034225 CBZLHTBNBZYFFM-UONOGXRCSA-N 306.475 3.259 0 40 DGAB CCc1ccc([C@@H](NC(=O)NCCOC)c2cccs2)cc1 42842784 URRHEEQCKHPQOC-MRXNPFEDSA-N 318.442 3.346 0 40 DGAB CCOc1cc(NC(=O)N(C)Cc2cc(C)on2)ccc1OC 47582037 IQKLMPPYCZWGKF-UHFFFAOYSA-N 319.361 3.054 0 40 DGAB O=C(NCCc1ccccn1)N1CCC[C@@H]1c1cccs1 42992830 QLKAUFWUOFIDDN-CQSZACIVSA-N 301.415 3.232 0 40 DGAB COc1ccc(NC(=O)c2ccc(C(F)(F)F)nc2C)cn1 24489549 ZDMSLRWARMUDSV-UHFFFAOYSA-N 311.263 3.065 0 40 DGAB CC(=O)c1cccc(NCc2nc(Cc3ccccc3)no2)c1 55825338 PHAWVBHHRJRPGY-UHFFFAOYSA-N 307.353 3.475 0 40 DGAB CC(C)c1nnc(CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)o1 107584889 REBLMNPNYVNPHD-HZPDHXFCSA-N 315.417 3.281 0 40 DGAB CNC(=O)NC(=O)CCSCc1c(Cl)cccc1Cl 23079094 IPWHZZXQNATDNK-UHFFFAOYSA-N 321.229 3.072 0 40 DGAB CCOc1ccc(C(=O)O)cc1COc1ccc(OC)cc1 24549241 FRKMKCDEOSOSSP-UHFFFAOYSA-N 302.326 3.371 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2ccccc2Cl)cs1 26841453 BMMNJOSJQQPIEM-UHFFFAOYSA-N 309.822 3.387 0 40 DGAB O=C(CSc1nc(C2CC2)n[nH]1)Nc1cccc(Cl)c1 12698505 CUMZSZZDTMFRBI-UHFFFAOYSA-N 308.794 3.066 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2cccnc2)ccc1OC(C)C 44868931 JIHUUFMXMOQKFK-ZDUSSCGKSA-N 314.385 3.368 0 40 DGAB Cc1nc(CCNC(=O)COc2ccc(C(C)C)cc2)cs1 27793741 PFKSBJBAFNALPZ-UHFFFAOYSA-N 318.442 3.313 0 40 DGAB Cc1cc2ncn(C[C@H](O)c3ccc4c(c3)OCCO4)c2cc1C 58246151 IZUBLHWCVIXKNG-KRWDZBQOSA-N 324.380 3.158 0 40 DGAB CC(C)CCC(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 58340927 UGBPNRHYGCPDKB-NSHDSACASA-N 305.353 3.489 0 40 DGAB O=C(Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccc(F)c1 12778628 RKQOTIOSVINVAE-UHFFFAOYSA-N 323.331 3.066 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccc(-c2cnco2)c1 48205021 JVPNSOQGJFUKCB-UHFFFAOYSA-N 324.384 3.263 0 40 DGAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)c1cnccn1 12863287 WXLVZKJLTSSORY-UHFFFAOYSA-N 323.327 3.338 0 40 DGAB O=c1c2cc(OC/C=C/c3ccccc3)ccc2nc2n1CCC2 12901646 INLVXSWZYSVHCB-VMPITWQZSA-N 318.376 3.435 0 40 DGAB biogenic O=C(O)c1cc(O)nc2c(Br)cc(Cl)cc12 62152286 PBXAGWDGBDKPSD-UHFFFAOYSA-N 302.511 3.055 0 40 DGAB COC(=O)c1cc(Oc2ccc(Br)cc2)ccn1 90736922 NWJZKKXJILDETE-UHFFFAOYSA-N 308.131 3.423 0 40 DGAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCCCCC2)o1 13640970 OFONUSNLFCBQLU-UHFFFAOYSA-N 302.374 3.491 0 40 DGAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=O)Nc1ccccc1 13722188 SGAICFVFTHXGHQ-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)/C=C/c1ccccc1 68727135 PLJPMCYJIWJTQH-VAWYXSNFSA-N 304.353 3.134 0 40 DGAB COc1ccc(F)cc1COC(=O)c1cccc(NC(C)=O)c1 14077865 WYTYUPGRYLCVAR-UHFFFAOYSA-N 317.316 3.150 0 40 DGAB CCn1nccc1NC(=O)COc1cc(Cl)ccc1Cl 14184136 ZKEUGNVLXJCDEE-UHFFFAOYSA-N 314.172 3.227 0 40 DGAB C[C@@H]1CC(=O)c2c(OCc3ccc(C(N)=O)cc3)ccc(F)c21 14369401 GUGPMYOKWICQPI-SNVBAGLBSA-N 313.328 3.194 0 40 DGAB CC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2)c(C)cc1C 4660799 FRKHCDRGSIRQAR-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CN(C)CC(=O)N[C@H]1c2ccccc2CSc2ccccc21 5524847 FSZVYNKALFDSNK-SFHVURJKSA-N 312.438 3.060 0 40 DGAB CCn1ncc(-c2ccno2)c1C(=O)Nc1ccc(Cl)cc1 4769979 IBUZJOBLONDHPN-UHFFFAOYSA-N 316.748 3.464 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2c[nH]c3ccccc23)cc1 8237845 WKJFZKKSBPCVBG-UHFFFAOYSA-N 308.381 3.214 0 40 DGAB S=c1[nH]nc(Cn2nnc3ccccc32)n1C1CCCCC1 7044888 HJZJYKVTLAXNNJ-UHFFFAOYSA-N 314.418 3.239 0 40 DGAB Cc1nc(SCC(=O)c2ccc3c(c2)OCO3)nc(C)c1C 7252878 SFKGFZSYJCOSCJ-UHFFFAOYSA-N 316.382 3.106 0 40 DGAB CCCn1c(NC(=O)c2c(C)nn(C)c2C)nc2ccccc21 28234966 GMHKGUZCCLSZSK-UHFFFAOYSA-N 311.389 3.049 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCc1ccc(F)cc1 20458735 AZKIGMOBJAQVNC-UHFFFAOYSA-N 313.781 3.099 0 40 DGAB COc1ccc(NC(=O)N2CCC[C@H]2CN2CCCC2)cc1C 71857002 BKXDJDFXBLWHLB-INIZCTEOSA-N 317.433 3.096 0 40 DGAB CCN1CCC(N(C)C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)CC1 71853410 GCYCIGBMJUYXSB-GJZGRUSLSA-N 306.475 3.103 0 40 DGAB O=C(O)c1ccc(/C=C/c2cc(C(F)(F)F)nc(O)n2)cc1 96006576 CBVWNABSYJDUQY-ZZXKWVIFSA-N 310.231 3.070 0 40 DGAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)n1 71839160 MQXQZJAFXLZFRP-QWHCGFSZSA-N 323.824 3.037 0 40 DGAB Cc1ccccc1NC(=O)CCCc1nc(-c2cccnc2)no1 9699706 MOBDDXYXBXQQAI-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB COc1ccc(CCNC(=O)CCc2ccccc2F)cc1 28198125 ZJPMXKVHJYZDFA-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB C[C@@H]1CCN(C(=O)c2cc(C(N)=O)cs2)[C@@H](c2ccco2)C1 75390289 OLRIJCLIQPZRCS-ZYHUDNBSSA-N 318.398 3.053 0 40 DGAB COc1cccc(F)c1[C@@H](C)NCc1csc(NC(C)=O)n1 97033549 QELANHFXVJGGKM-SECBINFHSA-N 323.393 3.100 0 40 DGAB CC1(C)C[C@H](NCc2nc(-c3ccsc3)no2)C(C)(C)O1 97100303 AWZSADLEIRFZKQ-NSHDSACASA-N 307.419 3.234 0 40 DGAB COCc1ccccc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 89894665 ZOELDQQYXBXKIP-AWEZNQCLSA-N 311.381 3.224 0 40 DGAB CCc1cnccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 75612033 DIXLNUZIEKXQIA-UHFFFAOYSA-N 323.396 3.413 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N(C1CC1)[C@H](C)C(C)C 73581345 JLFDXFTVPUHUPO-CYBMUJFWSA-N 312.413 3.149 0 40 DGAB CC(C)N(C(=O)C[C@H]1CCOc2ccccc21)C1CCOCC1 78182740 HTYFEHNIUCKLAK-OAHLLOKOSA-N 317.429 3.359 0 40 DGAB C[C@@H]1CCCCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 78394547 VECJYBHUCNUZJH-CYBMUJFWSA-N 310.438 3.035 0 40 DGAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2cccc3[nH]ccc23)cn1 78880588 WJUVALKYSXEMCN-DNVCBOLYSA-N 324.428 3.252 0 40 DGAB Cc1csc(NC(=S)NC(=O)c2ccc(Cl)cc2)n1 408594155 GJFBNUGLULUEBW-UHFFFAOYSA-N 311.819 3.232 0 40 DGAB COc1ccccc1[C@H](CCCO)[C@@H](O)c1ccccc1OC 3844239 HQCMJVBZTNVFBP-HNAYVOBHSA-N 316.397 3.294 0 40 DGAB biogenic COc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1 30869080 MRBKVMMQOPSCLS-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB O=C(NCCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 38832931 AFKMWXGXCLHLOQ-HXUWFJFHSA-N 322.452 3.258 0 40 DGAB CC(C)Oc1ccc2ccccc2c1CNC(=O)Cc1ccn[nH]1 185841843 RQSGZOFSSCJLGP-UHFFFAOYSA-N 323.396 3.209 0 40 DGAB Cc1ccc(OCC(=O)NCc2ccc(OC(C)C)cc2)cc1 36559423 VSZFISNEXTYDJY-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB Cc1c(Cl)ccc2sc(NCCN3CCOCC3)nc12 34936041 RGXHTDKDMRWGRB-UHFFFAOYSA-N 311.838 3.002 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)c(Cl)c2)cnc2ccnn12 38829556 CMUITYJHZRPTRN-UHFFFAOYSA-N 304.712 3.083 0 40 DGAB Cc1nnc(NC(=O)c2cc(Cl)nc3ccccc23)s1 7718069 QCTFAQYDRLAKLV-UHFFFAOYSA-N 304.762 3.300 0 40 DGAB O=C(c1ccccc1)N1CC[C@H](c2nnc(-c3ccccc3)o2)C1 49170756 JMLKKJBUNPZNAW-INIZCTEOSA-N 319.364 3.366 0 40 DGAB biogenic,in-vitro C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875091 RKBCNPQNBCOYKB-LRDDRELGSA-N 315.417 3.279 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1C 44444017 UNPOYUXSQPAKFZ-AWEZNQCLSA-N 307.415 3.114 0 40 DGAB Cc1cc(CS[C@H](C)c2ccc(S(C)(=O)=O)cc2)no1 190782971 IOZBYOAYKQSXLB-LLVKDONJSA-N 311.428 3.381 0 40 DGAB CCN(C[C@@H]1CCN(C(=O)c2ccsc2)C1)CC(F)(F)F 81448292 XMKBQWLKGQYYAJ-NSHDSACASA-N 320.380 3.094 0 40 DGAB c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccoc2)c1 96200544 MPFDUJNMEFCKNM-OALUTQOASA-N 312.413 3.287 0 40 DGAB Cc1cccc([C@@H](C)[S@](=O)CC(=O)N2CCCCCC2)c1 96448148 BLKUTLMLBVEBMO-VFNWGFHPSA-N 307.459 3.207 0 40 DGAB COC[C@@H]1COCCC12CCN(Cc1cccc(F)c1)CC2 96106302 URXQYDROLJMWPU-MRXNPFEDSA-N 307.409 3.091 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)Cc1ccc(C)nc1 97379270 KKFBNQRHMOPOPE-QGZVFWFLSA-N 324.424 3.177 0 40 DGAB CS[C@@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 96120029 YJXFVRVIRXRRNZ-LLVKDONJSA-N 305.321 3.163 0 40 DGAB COc1ccc(Cc2nc3nccc(-c4cccs4)n3n2)cc1 96345322 ICDYEVOKVKFIJW-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB CC(C)NC(=O)c1nc2c(s1)CCCN2Cc1ccccc1 96146832 IYFUIDUQUQBWFG-UHFFFAOYSA-N 315.442 3.234 0 40 DGAB Cc1ccc(Cc2nc([C@@H](C)CC(=O)OC(C)(C)C)no2)cn1 585120526 SYOKRGBADDFHIC-NSHDSACASA-N 317.389 3.199 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257276102 NSJSGHXGEMZDQC-HNNXBMFYSA-N 324.359 3.219 0 40 DGAB CCC(CC)n1ncc(C(=O)Nc2cccc3nn[nH]c23)c1C 585087797 RTMXVUFBPHLHIB-UHFFFAOYSA-N 312.377 3.076 0 40 DGAB O=C(CN1CCC(c2cccs2)CC1)NCc1ccccc1 85473457 LDSIBZGRDGGKLH-UHFFFAOYSA-N 314.454 3.244 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)C1 96122232 HRTYOBYRMMYRIO-YOEHRIQHSA-N 300.402 3.207 0 40 DGAB NC(=O)c1cccc(COC(=O)C23CC4CC(CC(C4)C2)C3)c1 47466837 KEHYROOTHGHRMU-UHFFFAOYSA-N 313.397 3.045 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccsc2)cc1 48908050 XFIHBXIYXMOUCS-GFCCVEGCSA-N 316.426 3.206 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2ccccn2)C2CC2)c1C 57995264 SENHAZAKFMMBFD-UHFFFAOYSA-N 311.385 3.034 0 40 DGAB O=C(NCc1nccnc1-c1ccsc1)OC1CCCC1 585406209 MROBHQRELRYXKP-UHFFFAOYSA-N 303.387 3.374 0 40 DGAB COc1ccc(NC(=O)c2cccc(Br)c2)c(N)c1 19430958 PEVRTEDKSCLPLU-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 13571705 AQKHKSFQWRDSEV-XPTSAGLGSA-N 322.792 3.061 0 40 DGAB CCn1nc(C)c(-c2cncn2CCCC(C)(C)CO)c1C 19719614 XBKSPZLQYGLFOA-UHFFFAOYSA-N 304.438 3.182 0 40 DGAB COc1cccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)c1 4276037 FMDLYGSBZLGBCM-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB O[C@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCCCCC1 10384090 GYTYWKBSNBDBML-NRFBVMONSA-N 321.505 3.456 0 40 DGAB CC(C)NC(=O)CSc1nccn1Cc1ccccc1Cl 17113422 IUJPCYUQELUKDG-UHFFFAOYSA-N 323.849 3.202 0 40 DGAB CCc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 44763 HRAUMMURFDEOMO-OAHLLOKOSA-N 308.381 3.241 0 40 DGAB Fc1ccc(N2CCN(c3nc4cccnc4s3)CC2)cc1 425549 MBUACWLHRQVBAS-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2cc(OC)ccc2OC)cc1 509410 FYBVDQXHCJKETI-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccccc1 530936 GUMQOTKFTONCKX-HTAPYJJXSA-N 319.341 3.384 0 40 DGAB COC(=O)[C@@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)C 539687 FMEBZAQYKDESBK-NSHDSACASA-N 319.188 3.313 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)OCCO2 566918 PTPZQNXDYUDTPP-UHFFFAOYSA-N 319.744 3.372 0 40 DGAB Fc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 2382970 ASBCWHYUQNLRKW-UHFFFAOYSA-N 307.288 3.123 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 2645141 PLCOWYWDBBRCQR-QGZVFWFLSA-N 316.832 3.302 0 40 DGAB COCCNCC(=O)Nc1ccccc1Sc1ccccc1 2655702 BUNXXYUNVDLZBW-UHFFFAOYSA-N 316.426 3.012 0 40 DGAB COc1ccc(C(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)cc1 3262452 XDLFPYSIDQWFAK-ZDUSSCGKSA-N 317.168 3.005 0 40 DGAB O=C(COC(=O)c1cccs1)Nc1ccc(Cl)cc1F 3317232 CSVZMXNBGGRMDV-UHFFFAOYSA-N 313.737 3.336 0 40 DGAB CCOc1ccc2nc(NC(=O)c3cnc(C)cn3)sc2c1 3341602 RNMBGLCZBCTUEH-UHFFFAOYSA-N 314.370 3.046 0 40 DGAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccc(F)cc1 3510066 GNVVCKXHXMGNCL-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 3607255 IBLQLDWTTMFJJF-JTQLQIEISA-N 319.744 3.475 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCCC[C@H]1NC(=O)N[C@@H]1C 4520554 NRYDTMPYVQXREL-HUUCEWRRSA-N 317.433 3.262 0 40 DGAB Cc1ccc(NC(=S)NC(=O)COc2ccccc2)cc1C 5553475 WMDKBLWBNOBLAM-UHFFFAOYSA-N 314.410 3.195 0 40 DGAB Cc1ccc(-n2ccnc2S[C@@H](C)C(=O)NC2CC2)c(C)c1 6081103 ZOWYMUDRTFHTLF-ZDUSSCGKSA-N 315.442 3.248 0 40 DGAB Cc1ccc(C(=O)O)cc1NS(=O)(=O)/C=C/c1ccccc1 7057343 SWHMDHHMWBLEOZ-MDZDMXLPSA-N 317.366 3.106 0 40 DGAB COc1ccc(CNC(=O)CSCc2cccs2)cc1 7474434 QIVMSPSGAOQXBV-UHFFFAOYSA-N 307.440 3.306 0 40 DGAB O=C(N1CCN(c2ccccc2)CC1)C1(c2ccccc2)CC1 7609160 HDBNCQJQGVEHAQ-UHFFFAOYSA-N 306.409 3.067 0 40 DGAB Cc1cccc(C(=O)OCc2cn3cc(Cl)ccc3n2)c1O 7700561 QYJMHXQQRSSWLO-UHFFFAOYSA-N 316.744 3.359 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 7842522 DVLXALVWIDQHCB-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 8254540 HNPTWWHYGQEUJZ-OFQRWUPVSA-N 303.475 3.093 0 40 DGAB biogenic,in-vitro Cc1ccsc1C(=O)NC[C@H](c1ccco1)N1CCCC1 8327654 JXQZRULXXPHRGT-CYBMUJFWSA-N 304.415 3.216 0 40 DGAB Cc1ccc(C(=O)Cn2nc(-c3ccncc3)oc2=S)cc1 8549931 GFNAYLZXAPMCDE-UHFFFAOYSA-N 311.366 3.459 0 40 DGAB Clc1cccc(-n2ncc3c(N4CCCCC4)ncnc32)c1 8673917 NWBMNUNCZCPHMS-UHFFFAOYSA-N 313.792 3.459 0 40 DGAB O=C(NCc1ccccn1)c1cc(C2CC2)nc2ccccc12 8708360 YFFIFFZPQAKOQY-UHFFFAOYSA-N 303.365 3.437 0 40 DGAB COc1ccccc1OC[C@H](O)CNC(C)(C)CC(C)(C)C 8844751 FSLXSHRYGLEZQH-CQSZACIVSA-N 309.450 3.239 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccsc2)c1C 9049935 MXXAXNUGDHIMDQ-UHFFFAOYSA-N 320.414 3.142 0 40 DGAB O=c1cc(Cc2ccccc2)[nH]c2cc(-c3ccccc3)nn12 9361289 FOHSQCONJRKGKQ-UHFFFAOYSA-N 301.349 3.280 0 40 DGAB CC(=O)Oc1ccccc1[C@H]1CC(=O)n2c(nc3ccccc32)C1 9517192 WXHRKHNIGZDDPE-CYBMUJFWSA-N 320.348 3.332 0 40 DGAB Cc1ccc(C)c(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 11692062 GCLDZYCAAMPZNR-VSQWLSRBSA-N 313.441 3.470 0 40 DGAB Cc1csc(NC(=O)CN2CC=C(c3ccc(C)o3)CC2)n1 12114546 GAIIIVRLFZSPLJ-UHFFFAOYSA-N 317.414 3.081 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2cccnc2)cc1OC 12536963 XITXOSZTLUBXKT-UHFFFAOYSA-N 306.749 3.395 0 40 DGAB O=c1[nH]c2cc3c(cc2cc1CNc1ccc(F)cc1)OCO3 13561318 KEJZUXUKWFCPMS-UHFFFAOYSA-N 312.300 3.008 0 40 DGAB COc1cccc(OC)c1NCc1cc2cc(C)ccc2[nH]c1=O 13561401 MSWLFDLRBOUDIS-UHFFFAOYSA-N 324.380 3.466 0 40 DGAB COc1ccc(C)cc1CSCC(=O)Nc1cc(C)on1 14019224 XCJGLKWNKSXRCT-UHFFFAOYSA-N 306.387 3.172 0 40 DGAB Cc1noc(N)c1C(=O)OCc1csc(-c2cccs2)n1 14134509 OPIAMBMJWWDSTN-UHFFFAOYSA-N 321.383 3.107 0 40 DGAB CCc1ccc([C@H](C)NC(=O)CN(C)Cc2ccc(C)o2)cc1 15296526 JDEMCHUEPZTHGE-HNNXBMFYSA-N 314.429 3.460 0 40 DGAB Cc1cccc(N2N=C(C(=O)N(C)c3ccccc3)CCC2=O)c1 15348868 GOQOKBPGIAWTPI-UHFFFAOYSA-N 321.380 3.141 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@@H](C)Nc2ccc(F)cc2)c1 15461955 ZRHMEOGANMSSFK-LLVKDONJSA-N 318.348 3.282 0 40 DGAB Cc1sc2nc(-c3cccs3)nc(NCCO)c2c1C 22341478 LHXMIJSAVXIDCX-UHFFFAOYSA-N 305.428 3.441 0 40 DGAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1F)c1cccs1 23105526 HAKQWOQHQKDQKS-LBPRGKRZSA-N 310.369 3.059 0 40 DGAB C[C@@]1(C(=O)NCc2nc3ccccc3s2)CC1(Cl)Cl 23424951 AGQWABNYEARYIS-LBPRGKRZSA-N 315.225 3.496 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc3c(s2)CC[C@@H](C)C3)no1 25137043 IDIRAESLYNNBJH-SNVBAGLBSA-N 304.415 3.442 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(C)c(-n3cccc3)c2)no1 25138117 FNIVTNZKIJNYCE-UHFFFAOYSA-N 309.369 3.354 0 40 DGAB CN(Cc1cccc(NC(=O)C(C)(C)C)c1)C(=O)C(F)(F)F 25970075 RREZHEKMPFVDGT-UHFFFAOYSA-N 316.323 3.192 0 40 DGAB CCc1nnc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)s1 27664503 KBULVDHSHWCTGY-NSHDSACASA-N 309.366 3.036 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28229432 CZMXLIBVMUHRFW-NSHDSACASA-N 317.341 3.116 0 40 DGAB CCN(CCCNC(=O)c1cc(Cl)ccn1)c1ccccc1 29955422 KKDJMHWJTNIPST-UHFFFAOYSA-N 317.820 3.381 0 40 DGAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(=O)[nH]c2ccccc12 32124236 GTSOXTAYIQYKMX-UHFFFAOYSA-N 303.321 3.262 0 40 DGAB biogenic Cc1cccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c1 32912569 WGMJJQFXULWIHW-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB CC[C@@](C)(NCc1ccccc1)c1nnnn1-c1ccccc1C 35622732 UZHXPDCKMHNFAI-LJQANCHMSA-N 321.428 3.386 0 40 DGAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3cccnc3)cc2)n1 40107208 DICHCUHFRUKQHZ-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2)o1 40555261 YWLIPWJELDMBLP-UHFFFAOYSA-N 301.390 3.184 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)CCc2nc(C(C)(C)C)no2)[C@@H]1C 41807390 CFYBRMHHPJEEMB-UPJWGTAASA-N 307.438 3.241 0 40 DGAB C[C@H](NC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 45683602 DDLATLQDGLNWQJ-MCMJNGCASA-N 320.477 3.412 0 40 DGAB Cc1ccc(N2Cc3nc(N4CCC(C)CC4)ncc3C2=O)cc1 46088805 ICYMWRPURVTVRH-UHFFFAOYSA-N 322.412 3.182 0 40 DGAB C[C@H]1CCCN([C@@H](C)CNC(=O)c2ccc(F)cc2Cl)C1 46953655 VBTKLWXJTQZEFS-RYUDHWBXSA-N 312.816 3.329 0 40 DGAB O=C(Nc1ccccc1-n1cccn1)N1CCc2ccccc2C1 48152204 JQOXGNSTVQMTRI-UHFFFAOYSA-N 318.380 3.463 0 40 DGAB Cc1cc(CNC(=O)NCCCN2CCC[C@@H](C)C2)ccc1F 48317772 QCSJGBYVVQQVGD-CQSZACIVSA-N 321.440 3.055 0 40 DGAB CC(C)c1nnc(NC(=O)c2ccc(N(C)C)c(F)c2)s1 48333026 PEHXGOHCQUKOSQ-UHFFFAOYSA-N 308.382 3.119 0 40 DGAB CCOC(=O)c1csc(NC(=O)c2ccc(Cl)s2)n1 49525360 OLIARNLWLFMQOL-UHFFFAOYSA-N 316.791 3.287 0 40 DGAB O=C(NCc1cccc(OC(F)F)c1)c1c(F)cccc1F 50367354 FGOIFALFJQOBED-UHFFFAOYSA-N 313.250 3.496 0 40 DGAB Cc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1C 51354195 AUUSUXZXZUNTIL-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB C[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)C1 56653825 NTVHZACJQFYMHO-LLVKDONJSA-N 323.824 3.306 0 40 DGAB Cc1c(CN(Cc2ccc(F)cc2)C[C@@H]2CCCO2)cnn1C 57811073 NILWNZSWJCWNDC-SFHVURJKSA-N 317.408 3.049 0 40 DGAB Cn1c(-c2cnn(-c3ccccc3)n2)nc2cc(Cl)ccc21 58217087 HWTGUISZBFIFQM-UHFFFAOYSA-N 309.760 3.474 0 40 DGAB O=C(O)c1cnc(/C=C/c2cnn(Cc3ccccc3)c2)s1 58391605 GMEIQBVPBANFPE-VOTSOKGWSA-N 311.366 3.257 0 40 DGAB CCSc1ccc(N[C@@H](C)C(=O)N2CCC(C)CC2)cn1 69096473 LAILZWNARXCRHV-ZDUSSCGKSA-N 307.463 3.253 0 40 DGAB Cn1ccnc1SCc1cccc(C(=O)Nc2ccncc2)c1 69514246 FCFIMRGMVFXVIF-UHFFFAOYSA-N 324.409 3.360 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@@H]1c1ccc2c(c1)OCO2 69741264 YWFCDVBROYWYQD-CQSZACIVSA-N 315.394 3.383 0 40 DGAB Cc1cnn(C[C@H]2CCCN2Cc2nc(C)c3ccccc3n2)c1 70039435 NPOURJWXTHJURV-MRXNPFEDSA-N 321.428 3.108 0 40 DGAB C[C@H](c1cccc(O)c1)N(C)Cc1nccn1CC(F)(F)F 71897185 KHRIRFLWEYATER-LLVKDONJSA-N 313.323 3.344 0 40 DGAB CCCC1CCC(C(=O)Nc2ccc3c(c2)C(=O)NC3=O)CC1 72193666 YJACRZCYHORQAA-UHFFFAOYSA-N 314.385 3.115 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)no1 73915609 ZSTNEFDGVUBKIZ-QGZVFWFLSA-N 322.368 3.146 0 40 DGAB COc1ccc(CNc2cccc(N3CCCC3=O)c2)cc1O 74336537 VYMSYHCADNYCQL-UHFFFAOYSA-N 312.369 3.140 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1cccc(Cl)c1 75110307 FNLVPNFHPGZMED-CYBMUJFWSA-N 324.789 3.044 0 40 DGAB O[C@@H](C[C@H]1CCCN1CCN1CCCCC1)c1ccccc1 76107481 CAXPNAXPVKEFSH-MOPGFXCFSA-N 302.462 3.060 0 40 DGAB CSCC[C@@H](C)NC(=O)Nc1cccc(-c2nccn2C)c1 77446356 QYPGAWRGQLREJP-GFCCVEGCSA-N 318.446 3.350 0 40 DGAB Brc1cnn(Cc2csc(-c3ccco3)n2)c1 77956088 HRCKZDPMUXBQKQ-UHFFFAOYSA-N 310.176 3.410 0 40 DGAB CS(=O)(=O)[C@H]1CCC[C@H](Nc2ccc3ccc(F)cc3n2)C1 78301221 KIQOUZBBJCWVOC-KBPBESRZSA-N 322.405 3.142 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)OCCc1scnc1C 78442184 PXLLNROPXNYWSD-KBPBESRZSA-N 317.410 3.350 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccn2)c2ccc(F)cc2)on1 79140476 NFGHJKAIWNXGGV-UHFFFAOYSA-N 311.316 3.364 0 40 DGAB Cc1cc(Cl)c(NC(=O)N(C)CC[C@@H](C)O)c2cccnc12 84076955 KEPLGKMKMCMPGS-LLVKDONJSA-N 321.808 3.431 0 40 DGAB Cc1ccc(S(=O)(=O)NCC2CCC2)cc1C(F)(F)F 84177640 KOHYQBZTTXICKY-UHFFFAOYSA-N 307.337 3.092 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H](c2nccs2)C2CC2)cs1 84274673 JWJYLJZHJLJYHA-LBPRGKRZSA-N 322.459 3.201 0 40 DGAB CC(C)C[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 84456951 ZIABCUFHGNSRHT-ZIAGYGMSSA-N 322.474 3.151 0 40 DGAB CCc1ccc(C(=O)c2ccc(NCc3nc(C)no3)cc2)o1 84493701 AVGAWFHQGFIACL-UHFFFAOYSA-N 311.341 3.377 0 40 DGAB Cn1nc(CNC(=O)c2cccc(Cl)c2)cc1-c1ccco1 85471319 RVSBHMHLYOEVOF-UHFFFAOYSA-N 315.760 3.264 0 40 DGAB Cc1cccc(NCC(=O)Nc2c(C)nn(C)c2C)c1Cl 86212588 MKZVLNWWJMIZMX-UHFFFAOYSA-N 306.797 3.049 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1cnn(-c2ccccc2F)c1 88232423 OFJJNDHKVLBMLW-UHFFFAOYSA-N 313.307 3.332 0 40 DGAB Cc1nc(CNC(=O)N(Cc2ccccc2)CC(F)F)oc1C 89558408 XJDSVOPGUTWGTH-UHFFFAOYSA-N 323.343 3.268 0 40 DGAB CC(C)(C)n1cc(CNc2ccn(Cc3ccccc3)n2)cn1 89761597 LUXBQWRMHJBCSH-UHFFFAOYSA-N 309.417 3.495 0 40 DGAB CCc1ccc(CNc2cccnc2N2CCC(CO)CC2)o1 91064817 YZTLROXSMIVCEM-UHFFFAOYSA-N 315.417 3.058 0 40 DGAB CC(C)C[C@@H]1CCCCCN1C(=O)C1CCC(C(N)=O)CC1 95960954 RXWLJINIXYMHJN-GPANFISMSA-N 308.466 3.095 0 40 DGAB CO[C@@H]1CCN(C(=O)c2cncc(C)c2)C[C@@H]1Cc1ccccc1 96110167 KEUOPMBLPKAPMM-RBUKOAKNSA-N 324.424 3.110 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccc(C)o2)C[C@@H]1Cc1ccccc1 96110168 SAKPHXNVBNKHGB-DLBZAZTESA-N 313.397 3.308 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(CCc3cc(O)ccc3O2)C1 96319631 GERKDJSKIMUBLW-QGZVFWFLSA-N 305.374 3.097 0 40 DGAB C[C@H]1CN(C(=O)Nc2cc(F)ccc2N2CCCCC2)CCO1 96403461 HTRGHCVFECNGSG-ZDUSSCGKSA-N 321.396 3.069 0 40 DGAB Cc1cc(C)n(Cc2cccc(-c3noc(-c4ccon4)n3)c2)n1 96405311 ZEHWDHLAFPJCLE-UHFFFAOYSA-N 321.340 3.253 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)N(C)C[C@@H](C)c1nccs1 97372203 GCKFBSXNGZJSAH-ZJUUUORDSA-N 322.434 3.254 0 40 DGAB Cc1cccc([C@@H](C)CNC(=O)N2CCC3(CCOCC3)C2)c1 98014551 OESQTGGHPWZBLS-INIZCTEOSA-N 316.445 3.311 0 40 DGAB CCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)c(OCC)c1 98086519 XADURFRYTWRRMI-UHFFFAOYSA-N 310.353 3.388 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1C 100539261 TVCPFXRYXOOVCW-KZNAEPCWSA-N 312.457 3.388 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 169683719 RWMYBCJSDRVINF-LVYXFOGZSA-N 323.392 3.343 0 40 DGAB O=C(Cc1cccc(Cl)c1)NCCOCc1ccccc1 177060917 FPIPAQICLKOQLF-UHFFFAOYSA-N 303.789 3.216 0 40 DGAB CC(=O)N1CC[C@@H](CN(C)C[C@H](C)c2cccc(Cl)c2)C1 187478631 FOVIPNKDCMSRFL-ZFWWWQNUSA-N 308.853 3.244 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCCCN1CCCCC1 216324651 FKGKSBHSZWBCBM-QGZVFWFLSA-N 318.461 3.145 0 40 DGAB Cc1ccc(OCC(=O)NCCSC2CCCC2)cc1C 223178785 LIWXEFXPWBYTFH-UHFFFAOYSA-N 307.459 3.474 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NCC1CCCCC1 224176933 JATKGTIFDSPKBN-UHFFFAOYSA-N 301.839 3.340 0 40 DGAB O=C(CCc1c(Cl)cccc1Cl)NC[C@@H]1CCCO1 225346814 CDZKQEKKMGPKGO-JTQLQIEISA-N 302.201 3.221 0 40 DGAB C[C@@H](c1ccccc1F)N(C(=O)CC1CCNCC1)C1CC1 225487678 ZVFKEOUWIZALOL-ZDUSSCGKSA-N 304.409 3.267 0 40 DGAB CCCOC1(C(=O)Nc2ccc(OC)nc2C)CCCCC1 225909573 CJRDIRHEJYWTLF-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB C[C@@H](C(=O)NCc1ccccc1)N1C(=O)CCCc2ccccc21 227168538 MRQSYKNQWZYEST-HNNXBMFYSA-N 322.408 3.061 0 40 DGAB CC(=O)NCc1cccc([C@@H]2CCCN2Cc2ccsc2)n1 257233914 GRIQROMFGDIMSR-KRWDZBQOSA-N 315.442 3.116 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 257234871 GVKRWXCTDIHPKQ-AWEZNQCLSA-N 317.820 3.320 0 40 DGAB Cc1cncc(C2CCN(Cc3nc4ccccc4n3C)CC2)n1 257243765 IILURCPVHGRGOB-UHFFFAOYSA-N 321.428 3.051 0 40 DGAB CC(=O)N1CCC(c2ccnc(-c3ccc(C(=O)O)cc3)c2)CC1 257261671 LIJBCHICTXPGFI-UHFFFAOYSA-N 324.380 3.173 0 40 DGAB Brc1cncc([C@H](NCc2ccccn2)C2CC2)c1 283824997 DIHKUBDJVLTKAM-OAHLLOKOSA-N 318.218 3.480 0 40 DGAB CCn1nncc1C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1 581592120 CINIIFLAOXWTIA-INIZCTEOSA-N 310.401 3.056 0 40 DGAB COCCOc1ccc(NC(=O)CC2CSC2)cc1Cl 585132046 NGEHWJFSGKGRDL-UHFFFAOYSA-N 315.822 3.057 0 40 DGAB COc1ccc([C@@H]2C[C@@H]3CN(Cc4ccccc4)C(=O)[C@@H]32)cc1 585138336 GJMGLZTVVYGQTA-NEWSRXKRSA-N 307.393 3.457 0 40 DGAB CC(C)NC[C@@H]1[C@@H](C)C[C@@H]2[C@H]1CC(=O)N2Cc1ccccc1 1775964156 UTLLFAJXJWZNRY-DZJNRPSUSA-N 300.446 3.058 0 40 DGAB biogenic,in-vitro O=C(c1ccc(Cl)s1)N1CC(Cn2cc(Cl)cn2)C1 1848818579 FUGRWDUNKPVGFY-UHFFFAOYSA-N 316.213 3.024 0 40 DGAB CCCCC[C@@H](C)NC(=O)CCc1nc(-c2ccccn2)no1 30578084 LPPTXPUWPTWGTG-CYBMUJFWSA-N 316.405 3.149 0 40 DGAB O=C(CSc1nnc(C2CC2)o1)c1ccc2c(c1)CCC2 7289819 RSHKICOULIYRAS-UHFFFAOYSA-N 300.383 3.411 0 40 DGAB CCCC(=O)Nc1cc(C)c(NC(=O)c2cccs2)cn1 1358315 WVMAXGMBLQIUGN-UHFFFAOYSA-N 303.387 3.442 0 40 DGAB CC(C)[C@@H]1Oc2ccc(N)cc2N(Cc2ccc(F)cc2)C1=O 20276421 XXVNCKKUNGTDBG-KRWDZBQOSA-N 314.360 3.358 0 40 DGAB CCCC(C)(C)NC(=O)c1nnn(-c2ccc(F)cc2)c1C 50497706 SJCRWIVVVAPALY-UHFFFAOYSA-N 304.369 3.023 0 40 DGAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nc2ccccc2o1 40497997 NHQBTAPNAITEKI-GXTWGEPZSA-N 321.380 3.196 0 40 DGAB Cc1cc(C)cc(NC(=O)N2CCN(c3nccs3)CC2)c1 40525960 GCYJSYOGHOYDSF-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(C(C)=O)cc1 7386557 IBQFYHWCOBVTBO-UHFFFAOYSA-N 303.383 3.104 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 7053776 JUUGVYJLNZOXRP-UHFFFAOYSA-N 319.382 3.138 0 40 DGAB CCC1=NN(C(=O)c2ccc(OC)cc2)[C@](O)(c2ccccc2)C1 233892 HXVMCYRUGXFIQX-LJQANCHMSA-N 324.380 3.152 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1 260582 MCPPBRQXAJMTNO-HNNXBMFYSA-N 310.438 3.082 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(OC)cc2)c1C 253692 XEPYSMYWFBJWQX-UHFFFAOYSA-N 316.357 3.069 0 40 DGAB Cc1cc(NC(=O)/C=C/c2cnn(C)c2)ccc1Br 20675055 UXPRKZKWHUZSNB-ZZXKWVIFSA-N 320.190 3.143 0 40 DGAB Cc1ccc(CS(=O)(=O)NCCCc2cccc(C)c2)cc1 10110838 MIWMBEIUOHOQPB-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB CCc1nnsc1C(=O)Nc1ccc2nc(C)sc2c1 8061383 WMPYQEQULFGYQX-UHFFFAOYSA-N 304.400 3.271 0 40 DGAB CC[C@@H](C)NC(=O)COc1ccc(Br)cc1C 382453 AWTJQLWMYQKEKZ-SNVBAGLBSA-N 300.196 3.051 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCc2ccccc2Br)c1 8258920 YNKHLMMJUICDBW-UHFFFAOYSA-N 322.158 3.337 0 40 DGAB Cc1ccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)cc1 32603681 IZXODZVBBCCLTP-UHFFFAOYSA-N 312.394 3.404 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1ccccn1 36836074 ZNJSJKXRCXDOFF-KRWDZBQOSA-N 307.353 3.206 0 40 DGAB CCC(C)(C)NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 60168220 LACHYSGQDXYGJG-QGZVFWFLSA-N 300.446 3.443 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3ccncc3)no2)cc1C 27663467 VVTMLGYUXRRUMW-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB Cc1cc(C)c(C(=O)CSc2nnc(N)s2)c(C)c1C 7535261 MMUYCOFMFCOUJM-UHFFFAOYSA-N 307.444 3.329 0 40 DGAB CCOc1ccc(C2=CCN(C(=O)c3cccn3C)CC2)cc1 91932118 MVFXLCFIXYUYLX-UHFFFAOYSA-N 310.397 3.353 0 40 DGAB c1ccc2c(c1)oc1c(NC3CCN(C4CC4)CC3)ncnc12 22137963 YUZLJYOMGRUUJM-UHFFFAOYSA-N 308.385 3.415 0 40 DGAB CC(=O)Nc1cccc(C(=O)NC2(c3ccccc3)CCC2)c1 53472979 OOQXXGONPDLBPO-UHFFFAOYSA-N 308.381 3.454 0 40 DGAB CCn1c(SCc2ccc(C(=O)O)cc2)nnc1C(C)C 20034383 NGFYCTQMGZRHFO-UHFFFAOYSA-N 305.403 3.412 0 40 DGAB CCSc1ccccc1C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 23081554 LLEIBEHSUURTFS-UHFFFAOYSA-N 313.382 3.221 0 40 DGAB Cc1nnc(SCc2cc(O)n(-c3ccccc3)n2)s1 100070082 AVMDJGUZUSDKMS-UHFFFAOYSA-N 304.400 3.030 0 40 DGAB CCn1cc(Br)c(C(=O)N2[C@@H](C)CCC[C@@H]2C)n1 2780290 ZBQIRTCWSDNELK-UWVGGRQHSA-N 314.227 3.069 0 40 DGAB NC(=O)C[C@@H](c1ccccc1)c1cc(Br)ccc1O 12375968 UPBJZWYIQZMIMM-LBPRGKRZSA-N 320.186 3.162 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 47173830 PBVUTDXKFBUHJR-WBMJQRKESA-N 308.385 3.475 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)NCc1cc(F)cc(F)c1 24772638 FSEANYQMQWDBQP-LBPRGKRZSA-N 305.324 3.186 0 40 DGAB CC(C)c1cccc(NC(=O)c2ccccc2S(C)(=O)=O)c1 23691695 UADUJJIWIIODMT-UHFFFAOYSA-N 317.410 3.466 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 108105589 ZHDKJNOCEIABIG-UIBBOPPKSA-N 320.458 3.479 0 40 DGAB CC(=O)Nc1nc(CSc2ncnc3ccsc23)cs1 26959611 HLZPTVJGIJFFCH-UHFFFAOYSA-N 322.440 3.399 0 40 DGAB COC(=O)c1ccc(NC(=O)N[C@@H](C)c2cccs2)cc1 48006827 LUDVGGYGVZBBBA-JTQLQIEISA-N 304.371 3.417 0 40 DGAB Nc1ncc(Br)nc1OCc1ccccc1Cl 66347361 CMHSOWGBSGMAMO-UHFFFAOYSA-N 314.570 3.054 0 40 DGAB CC(=O)c1cccc(NC(=O)COC(=O)c2sccc2C)c1 3384215 AWJPRBPYHOSJKZ-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB COc1ccc2cc(C(=O)N[C@H](CC(C)C)C(=O)O)ccc2c1 12775504 PQFGETIRHZBYEY-MRXNPFEDSA-N 315.369 3.078 0 40 DGAB C[C@@H](NC[C@]1(O)CCc2ccccc21)c1ccccc1N(C)C 90779785 QKTAFNYVPHBCRC-FOIQADDNSA-N 310.441 3.237 0 40 DGAB Cc1ccc(S(=O)(=O)N(Cc2ccco2)C2CC2)cc1C 12947400 LRJKCSXLJSACFJ-UHFFFAOYSA-N 305.399 3.250 0 40 DGAB O=C(NCC1CC1)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 12928728 DBLIEOGDEDHFBY-SFHVURJKSA-N 321.376 3.281 0 40 DGAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NCc1ccco1 4072849 ILYUVCKZKMMKRC-UHFFFAOYSA-N 318.682 3.206 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NC[C@H](C)c2ccccc2)cc1 6430936 DSMCVJAOEBRELL-HNNXBMFYSA-N 311.381 3.072 0 40 DGAB CCCCc1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224887 UALIKQYDVVKITB-UHFFFAOYSA-N 324.384 3.089 0 40 DGAB CC[C@@H](C)c1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 6533202 DPCWHFYUMUKNHU-SNVBAGLBSA-N 316.430 3.130 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 4682599 JAYDHOADOWXQCI-CQSZACIVSA-N 322.792 3.139 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1c(F)cccc1Cl 70039938 GELPVQIWAMRQFT-IAGOWNOFSA-N 324.827 3.454 0 40 DGAB CCn1nnc2cc(C(=O)N[C@H]3CCCc4ccccc43)ccc21 6650550 GUKWZDOROSBTIN-INIZCTEOSA-N 320.396 3.259 0 40 DGAB C[C@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1ccccc1 66300354 KDJPWKMHRWJVBG-GTJPDFRWSA-N 305.374 3.102 0 40 DGAB CC(=O)Nc1cccc(C(=O)OCCOc2ccc(F)cc2)c1 4927330 UCILEHJBOHOTFN-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Cc1ccc(-c2noc(CN3CCn4cccc4[C@@H]3C)n2)cc1 15417217 XFVAQWXJOXDZGX-AWEZNQCLSA-N 308.385 3.423 0 40 DGAB CCc1nnc(O)c(-c2nc(C3CCOCC3)cs2)c1CC 92197250 NWZIEZNIDGGDNC-UHFFFAOYSA-N 319.430 3.325 0 40 DGAB Cc1cc(S[C@H](C)C(=O)NCc2ccco2)nc(C(C)C)n1 8775238 FONPQULXDIVMPF-GFCCVEGCSA-N 319.430 3.298 0 40 DGAB Cc1ccccc1CCNC(=O)NCc1nnc(C(C)C)s1 96461503 ISQRHNHHKLNHOK-UHFFFAOYSA-N 318.446 3.012 0 40 DGAB Cc1nc(CCNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)c(C)o1 89547993 NFVUUGUMBHFSEA-GJZGRUSLSA-N 318.804 3.407 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2C)cc1 8945539 KVXFAIZVABFZEG-UHFFFAOYSA-N 303.431 3.498 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCCC[C@@H]3Cn3cccn3)cc2c1 71865193 XVAZGUPREOWGGS-MRXNPFEDSA-N 322.412 3.368 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C(C)(C)C 9613725 KAFFCTKTOWMYTF-UHFFFAOYSA-N 317.216 3.436 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@@H]2CCCOC2)c1 71900181 HPUXWFIKNVLWCC-GOSISDBHSA-N 324.424 3.345 0 40 DGAB Cn1cc(C(=O)Nc2nc(-c3c[nH]c4ccccc34)cs2)cn1 9726890 FLINOMKKKIPNIP-UHFFFAOYSA-N 323.381 3.277 0 40 DGAB COc1ccc(-c2noc([C@H](C)Sc3ccccn3)n2)cn1 89913668 RGAFZJQZJARXOT-JTQLQIEISA-N 314.370 3.389 0 40 DGAB CCc1cnccc1NC(=O)c1cnn(C)c1-n1c(C)ccc1C 75612023 VMNBHZVBKAXRMH-UHFFFAOYSA-N 323.400 3.037 0 40 DGAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@H]1CC=CCC1 97018128 ZEVGOVKCLHVPIS-LBPRGKRZSA-N 323.339 3.124 0 40 DGAB CC(C)Cn1cc(C(=O)Nc2ccncc2)c2ccccc2c1=O 72404603 WINFWGQRMHMUCV-UHFFFAOYSA-N 321.380 3.305 0 40 DGAB O=C1COc2cc(NCc3ccc(F)c(Cl)c3)ccc2N1 97375331 DMPRWVMQNPHKNY-UHFFFAOYSA-N 306.724 3.422 0 40 DGAB Cc1cc(=O)c(C(=O)N2CC[C@H](C)Sc3ccccc32)c[nH]1 72847990 JXBOJSIGRXTTRQ-LBPRGKRZSA-N 314.410 3.214 0 40 DGAB C[C@H](NC(=O)Nc1ccc(=O)n(C)c1)c1cc2ccccc2o1 95369322 HWUVRXGXQXYWJC-NSHDSACASA-N 311.341 3.014 0 40 DGAB O=C(N[C@@H]1CCC[C@@H]1CO)c1ccc(CCC(F)(F)F)cc1 95433979 BSLPLQWSTPXEEM-ZIAGYGMSSA-N 315.335 3.072 0 40 DGAB C[C@H]1OCC[C@@H]1C(=O)N(Cc1ccncc1)CC1CCCCC1 95983296 RUIPNMCNKWVLDA-QAPCUYQASA-N 316.445 3.416 0 40 DGAB C[C@@H]1CCN(C(=O)NC[C@H](c2ccsc2)N(C)C)C[C@H](C)C1 502674001 ZRVOBKVZLNRMFJ-IIAWOOMASA-N 323.506 3.428 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](C)N(c2ccc3nnc(C)n3n2)C1 77983996 IZHSIHFROKBQDE-ZFWWWQNUSA-N 307.401 3.124 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3scnc3C)co2)cc1 73300979 SEESIUANXKMJEP-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CC1(C)[C@@H](C(=O)O)[C@@H]1C(=O)Nc1nc(-c2cccs2)cs1 71288155 UHLOOCBRNCBVDR-NXEZZACHSA-N 322.411 3.167 0 40 DGAB CCc1ccc(C(=O)NC2(C(=O)OC)CCC(C)CC2)cc1 40145941 BSAYXZNRTZTFTF-UHFFFAOYSA-N 303.402 3.101 0 40 DGAB C[C@@](O)(CCc1ccccc1)CNC(=O)NC1CCCCC1 62021522 ODXUQVCDOJOETR-GOSISDBHSA-N 304.434 3.002 0 40 DGAB O=C(c1cccc2c1OCO2)N(CC(F)(F)F)c1ccccn1 79336460 KMYIVCGRWRYQBL-UHFFFAOYSA-N 324.258 3.019 0 40 DGAB Cc1cc(Cl)ccc1CN1CCC(c2nncn2C)CC1 136161048 JFWFLASRKBBLJB-UHFFFAOYSA-N 304.825 3.157 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 226749237 HPVUHIFQWWVSRG-PXAZEXFGSA-N 304.365 3.110 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1F 42645910 WKQQOAGRYCDYEA-UHFFFAOYSA-N 300.761 3.114 0 40 DGAB Cc1ccc(O)c(NC(=O)c2c(C)noc2-c2ccccc2)n1 225410806 WJLFDXVJHRPHFQ-UHFFFAOYSA-N 309.325 3.311 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)NCCc2ccccc2)cc1 48390523 QKBHUGOMYDIAOP-UHFFFAOYSA-N 311.385 3.399 0 40 DGAB CCCCNC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224842485 LWSDKQILDSZSMX-UHFFFAOYSA-N 302.374 3.199 0 40 DGAB CC(C)CNC(=O)CSc1nc2cc(Cl)ccc2n1C 44049965 POQRBVNHVKMSDE-UHFFFAOYSA-N 311.838 3.091 0 40 DGAB CC1(C)[C@@H](NCCc2nnc3ccccn23)C[C@@H]1c1ccccc1 97379782 DUYITCFSRIAQLQ-SJORKVTESA-N 320.440 3.444 0 40 DGAB O=C(Nc1ccc(OC2CCC2)c(F)c1)N1CCSCC1 96452261 XQNNCPTYHVFVIH-UHFFFAOYSA-N 310.394 3.338 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)s1 97235331 XYVMZJWDHLETTE-QMMMGPOBSA-N 310.400 3.011 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@@H]2CCOC2)o1 583094384 MLDANENQVGNKSL-SNVBAGLBSA-N 306.289 3.199 0 40 DGAB C[C@@H]1c2ccccc2CN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 331751658 GANHZPNNTXMUSK-SNVBAGLBSA-N 316.430 3.366 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccs2)N1 26771526 KYUMJWNDZQTKTB-CJNGLKHVSA-N 312.394 3.006 0 40 DGAB biogenic O=C(Oc1cn(C2CCNCC2)c2ccccc12)C(F)(F)F 256017089 ZZNRJPZFOZHWQY-UHFFFAOYSA-N 312.291 3.034 0 40 DGAB O=C(Cc1cncc2ccccc12)N1CCC([C@@H]2CCOC2)CC1 585121183 HZFPZJOLXPUEOI-QGZVFWFLSA-N 324.424 3.052 0 40 DGAB CS(=O)(=O)c1cccc(OCc2cccc3cccnc23)c1 42178993 PHYXVFRFJIHGAV-UHFFFAOYSA-N 313.378 3.217 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)N[C@@H](C)CCC(C)C)c1 44110519 QCMQEUUYFYTVAQ-ZDUSSCGKSA-N 321.421 3.218 0 40 DGAB CS(=O)(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 13937873 QMZLVQXKUCOKFA-UHFFFAOYSA-N 307.215 3.096 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 48910208 ZNQNTEKHYPJPKX-ZBFHGGJFSA-N 314.429 3.187 0 40 DGAB COc1cc(F)cc2sc(NC(=O)c3scnc3C)nc12 69615375 RNBHCDSWKKIAQS-UHFFFAOYSA-N 323.374 3.461 0 40 DGAB CC(C)N(C(=O)Oc1ccc(F)c(C(=O)O)c1F)C(C)C 96171673 VUJXZZUEFCJYOW-UHFFFAOYSA-N 301.289 3.281 0 40 DGAB Cc1cc([C@H]2CCCCCN2C(=O)c2c(C)noc2C)on1 12154142 OXRUJZKPNGRGTF-CYBMUJFWSA-N 303.362 3.345 0 40 DGAB Cc1cccc2cc(CNCCc3ccc(F)cc3)c(=O)[nH]c12 13566549 SIIWKWTVNFUOLU-UHFFFAOYSA-N 310.372 3.308 0 40 DGAB CCc1ccccc1N1C(=O)[C@H]2Cc3ccccc3CN2C1=O 16001667 CWNVXERBDHZRRM-QGZVFWFLSA-N 306.365 3.143 0 40 DGAB C[C@@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccncc1 19459768 ZIAUPOBDEJBCHB-LLVKDONJSA-N 311.316 3.367 0 40 DGAB C[C@@H](NC(=O)COC(=O)/C=C/c1ccccc1)c1ccccc1 3391027 ZCNKTSMASNYOLB-RDRICISKSA-N 309.365 3.120 0 40 DGAB COc1cccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)c1 226310790 BXIFUDONXDSYDA-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB CC(C)N(C[C@@H](O)COC12CC3CC(CC(C3)C1)C2)C(C)C 12422046 PKJIWVMCHKNWTF-GSBYPIHSSA-N 309.494 3.452 0 40 DGAB CCCn1c(CN[C@H]2CCC[C@@H](C(=O)O)C2)nc2ccccc21 580431126 DZEOMCMRYLVWRE-KGLIPLIRSA-N 315.417 3.179 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)c1ccoc1 33146314 GIFNXDLJTIUKLF-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB CCc1nc2ccccc2n1C[C@H](O)COc1cccc(C)c1 242721 WJQIAUVDTZBZBJ-HNNXBMFYSA-N 310.397 3.347 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)n2C)cc1 422621 BBKVMJCAMXDJGF-UHFFFAOYSA-N 324.409 3.161 0 40 DGAB CC(C)c1noc(N[C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 84631148 VLRCBPANEGNEOX-NWDGAFQWSA-N 324.425 3.298 0 40 DGAB CCOCc1ccccc1NC(=O)N(C)c1c(C)noc1C 79059478 TZWUMGCUGTUFIO-UHFFFAOYSA-N 303.362 3.496 0 40 DGAB COC(=O)c1cc(Cl)ccc1OCC(=O)Nc1ccccc1 1619283 LPLLVHYPAAEFLB-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB NC(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2Cl)s1 1403214 GZCNCVVHSWNLIE-UHFFFAOYSA-N 314.193 3.314 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 3135860 GJNKQSHXPRWFLY-LLVKDONJSA-N 310.781 3.147 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2Cc2ccccc2)nc2ccccc12 25439914 KZMYVFUUQGPVNB-MRXNPFEDSA-N 319.408 3.130 0 40 DGAB Cc1csc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)n1 26360317 CDPSZYOXVLJBNJ-CQSZACIVSA-N 318.398 3.262 0 40 DGAB CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2c(C)ccc(C)c21 8047711 MZWAIPSEVBBYKK-GOSISDBHSA-N 322.408 3.070 0 40 DGAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1cccc2ccccc12 58296385 SIVHCJXOISTWKQ-CABCVRRESA-N 306.413 3.429 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2)c1 3385783 IEVUNYVYQKUAQD-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@@H]1c1ccccc1 28048058 DFUHXSRANGTZJJ-KRWDZBQOSA-N 314.772 3.230 0 40 DGAB COCCOC(=O)c1c(-n2cccc2)sc2c1CCSC2 58634702 FBLNQHJQYYHPLZ-UHFFFAOYSA-N 323.439 3.131 0 40 DGAB O=C(O)CCn1c(/C=C/c2ccccc2)nc2ccccc2c1=O 29736949 ZYMDFYUHFXSENE-ZHACJKMWSA-N 320.348 3.042 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccc(F)cc3)c2C)cc1 2705757 ROQJAQYCCHMAEO-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cn3)C(=O)[C@H]12 102662372 CRCGYUABBKCVDK-GVARAGBVSA-N 316.788 3.217 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)Nc1ccccc1-n1cccn1 47539377 LPKRJORGLZAGHE-UHFFFAOYSA-N 322.368 3.242 0 40 DGAB COc1ccccc1-c1noc(CN2CCc3ccccc32)n1 12542280 ZNWSJHQTASGJLK-UHFFFAOYSA-N 307.353 3.308 0 40 DGAB COc1ccc(C(=O)CCCC(=O)N(C)c2nccs2)cc1 68451101 SHDDWEKTSJSTKF-UHFFFAOYSA-N 318.398 3.168 0 40 DGAB C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@H](C)O1 12821608 CUPQGNMMQZLRKD-STQMWFEESA-N 310.397 3.362 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1cccc(C)c1C 3446535 IUIOBMLYNXAKPI-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB CN(C)[C@@H](CNC(=O)CCCc1ccccc1)c1ccsc1 38673270 CLFKSIZKBRZGFJ-KRWDZBQOSA-N 316.470 3.490 0 40 DGAB O=C1C[C@@H](c2nc(-c3ccccc3)no2)CN1c1ccc(F)cc1 9318098 YIVVFSSKIBBKSL-CYBMUJFWSA-N 323.327 3.396 0 40 DGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1ccc2c(c1)CCC2 5267068 NABIFNUMPIKGSC-UHFFFAOYSA-N 321.298 3.239 0 40 DGAB Cc1cn2cc(NC(=O)/C=C/c3nc4ccccc4o3)ccc2n1 65567269 LRDJQMUMSQKLFY-CMDGGOBGSA-N 318.336 3.436 0 40 DGAB Cc1cc(SC(C)(C)C)ccc1NC(=O)C(=O)NC(C)C 65592594 AHTIJDSWRFMJRL-UHFFFAOYSA-N 308.447 3.349 0 40 DGAB C[C@@H](Sc1nnc(-c2cccs2)o1)C(=O)NC1CCCC1 6462817 ISTRHKJOSJKKSK-SECBINFHSA-N 323.443 3.338 0 40 DGAB Cc1ccoc1C(=O)NC1(CNC(=O)OC(C)(C)C)CCCC1 71893567 QGQAUVLDZQCETQ-UHFFFAOYSA-N 322.405 3.155 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)Cn2c(C)nc3ccccc32)c1C 5627689 SGUHUZOFJFZIIT-UHFFFAOYSA-N 309.369 3.375 0 40 DGAB O=C(Nc1nncs1)N(Cc1ccccc1)CC1CCC1 66355074 CVSMVOXXQZWNJJ-UHFFFAOYSA-N 302.403 3.372 0 40 DGAB COc1cccc(/C(C)=C/C(=O)N2CC[C@H](CSC)C2)c1 83812924 QEFZHUDPQKYFKT-SSUFTNFISA-N 305.443 3.310 0 40 DGAB COc1ccc([C@H](C)NC[C@@](C)(O)c2ccc(C)o2)cc1F 95423188 BHDWSRDIUFGQGF-YVEFUNNKSA-N 307.365 3.294 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCSc2ccccc21 7988029 SSOOKIDVBLDHDA-OAHLLOKOSA-N 315.442 3.312 0 40 DGAB Cc1nc(CC(=O)Nc2ccc(C(=O)OC(C)C)cc2)cs1 7995516 ZRPKOYFBSFFHCI-UHFFFAOYSA-N 318.398 3.198 0 40 DGAB C[C@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCCC1 8142224 LQVAPKVJMFKHTH-SNVBAGLBSA-N 300.374 3.424 0 40 DGAB OC1CCN(c2ncnc3scc(-c4ccccc4)c23)CC1 8328076 KSQKQYCQKGKOIY-UHFFFAOYSA-N 311.410 3.319 0 40 DGAB C[S@@](=O)c1ccc(CN[C@]2(C)CCc3ccccc3C2)cc1 85329434 XHPPDRWPOFSSNC-KNQAVFIVSA-N 313.466 3.461 0 40 DGAB CCn1ccs/c1=N\C(=O)c1ccc(Br)cc1 408561541 JJVHVLZESJNTSS-OWBHPGMISA-N 311.204 3.073 0 40 DGAB CCc1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 72283802 CEJRJFINLOKYAI-GOSISDBHSA-N 310.397 3.470 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2c1 69738300 AUDFUKNHMBWOLN-OAHLLOKOSA-N 308.385 3.150 0 40 DGAB COC(=O)c1sccc1NC(=S)N1C[C@H](C)C[C@@H](C)C1 8680340 BWWWGDFIGWAUCM-NXEZZACHSA-N 312.460 3.209 0 40 DGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccccc2F)cc1 8719740 GXLVGVSQSLGPNF-UHFFFAOYSA-N 323.327 3.043 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)CCCc3cccs3)C2)c1 71186018 OWQRRVIHLJQVGY-OAHLLOKOSA-N 317.458 3.439 0 40 DGAB O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1nccs1 95995754 AGKJCVSHSYAVDP-UHFFFAOYSA-N 323.226 3.392 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CCC2(CCCC2)CC1 95960640 DJWDUXUCJCCYEK-UHFFFAOYSA-N 303.431 3.121 0 40 DGAB CCc1nc(C(=O)Nc2cccc(-n3nc(C)cc3C)c2)c[nH]1 75093403 ICUQATCBIYWSJM-UHFFFAOYSA-N 309.373 3.027 0 40 DGAB Cc1ccoc1C(=O)O[C@H](c1c(C)nn(C)c1C)C(F)(F)F 89701973 LLZYKDKRDCDNTO-GFCCVEGCSA-N 316.279 3.399 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1cccc(-n2cccc2)c1 408566172 DWVCNNFRLOZEAN-UHFFFAOYSA-N 307.353 3.092 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(OC)cc1 20490979 PBDDWBXGEQLNAC-AWEZNQCLSA-N 313.397 3.341 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)OC1CCCCC1 25720490 FHBHXJDKJUVZAD-UHFFFAOYSA-N 300.358 3.370 0 40 DGAB CCS[C@H]1CCCC[C@H]1NC(=O)NCc1cnc(C)s1 78317778 IOBFMESIXAFFKB-OLZOCXBDSA-N 313.492 3.315 0 40 DGAB Cc1ccc(C[C@@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)cc1 35141832 BJMZTVIKOGEZQZ-AWEZNQCLSA-N 315.344 3.406 0 40 DGAB CCOc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 36635343 KVPRKSRXJANQBJ-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB O=C(NC[C@](O)(c1ccco1)C1CC1)c1cc2ccccc2o1 75154883 WHBMFOHNBKGYKR-GOSISDBHSA-N 311.337 3.053 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225604860 QDQVWUIALFXZMG-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2C)s1 223297519 FVFUQZWZNUVHEI-JTQLQIEISA-N 323.443 3.283 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(Cl)cc2)C1 48310112 RHMODXZERBDYFM-HUUCEWRRSA-N 322.880 3.367 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc(O)c(Cl)c1 49546558 UFQWNMZPNOBMSM-LBPRGKRZSA-N 309.778 3.203 0 40 DGAB COc1ccccc1C[C@@H](Oc1ccccc1Cl)C(=O)O 225096275 HOHUPIUFMAGINK-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Clc1snnc1CN1CCC[C@H]1c1ccc2c(c1)OCO2 69509520 YLDUFBWCMYKWBU-NSHDSACASA-N 323.805 3.257 0 40 DGAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cncc(F)c1 191314953 NZAFBABKNNHOAF-UHFFFAOYSA-N 316.376 3.288 0 40 DGAB COC(=O)[C@@H](Sc1nncn1C(C)(C)C)c1ccc(F)cc1 96409788 IZIQTUNJRWPPDA-LBPRGKRZSA-N 323.393 3.179 0 40 DGAB O=C(O)CO[C@H](c1ccc(Br)cc1)C(F)(F)F 95096414 HFLWTUKHWSRPPT-SECBINFHSA-N 313.069 3.154 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 97231723 AVRKSGPITMRFJH-PVAVHDDUSA-N 315.413 3.202 0 40 DGAB O=C(Nc1cccs1)N1CC(c2nc(-c3ccco3)no2)C1 96024304 GPWYRNQCZOSHEZ-UHFFFAOYSA-N 316.342 3.022 0 40 DGAB c1csc(CN2Cc3ccnn3C[C@@H](COCC3CC3)C2)c1 96189085 KTEXJUYKJHQNRK-HNNXBMFYSA-N 317.458 3.003 0 40 DGAB C[C@H]1CCCN(C(=O)CCC(=O)Nc2c(F)cccc2F)CC1 585121529 RRKNRUUOHQGNRH-LBPRGKRZSA-N 324.371 3.332 0 40 DGAB O=C(c1ccc(F)c(Cl)c1)N1CCCC[C@H]2CNCC[C@H]21 257213455 CHQXUMZKIUMKKD-SWLSCSKDSA-N 310.800 3.083 0 40 DGAB O=C(Cc1ccc2ccccc2c1)N1CC[C@@H](c2ccn[nH]2)C1 257327539 XBTPJLLNJPTSEF-QGZVFWFLSA-N 305.381 3.122 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)Nc1cccs1 390828986 VOWFMINOZAYQRX-LBPRGKRZSA-N 306.391 3.158 0 40 DGAB O=C(NC1CCCCCCC1)c1ccccc1N1CCOCC1 61110280 LXNMELYIGBCMRK-UHFFFAOYSA-N 316.445 3.366 0 40 DGAB CCOCCC1(CNC(=O)Nc2cccnc2C)CCCC1 84801238 SPBDBVKQRDNFRJ-UHFFFAOYSA-N 305.422 3.499 0 40 DGAB Cc1nc(C)c(CN2CCN(Cc3ccccc3)CC2)s1 172728977 TVFFFNBQBUDGEL-UHFFFAOYSA-N 301.459 3.078 0 40 DGAB COP(=O)(OC)[C@](C)(O)c1cccc(Br)c1 5920951 NMLSQQSKJOOELH-JTQLQIEISA-N 309.096 3.100 0 40 DGAB Cc1cc(C)cc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 19910959 LHOWODZPFVPTPV-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nc(C)cs2)c(OC)c1 8128983 AOWHDTIAUGOEEP-FNORWQNLSA-N 304.371 3.121 0 40 DGAB Cc1ccc(N2CCN(Cc3ccc4ccccc4c3)CC2)nn1 1849531809 VVPCDVKHKZQPDC-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cl)ccc1O 21932590 AFHCOJMLFZEEAV-UHFFFAOYSA-N 319.744 3.047 0 40 DGAB O=C(OCc1nc(-c2ccc(F)cc2)no1)c1cc(Cl)c[nH]1 25823102 OEMRFWNVOUVZEY-UHFFFAOYSA-N 321.695 3.214 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@H](c2ccc3c(c2)CCO3)C1 585148794 GZSYYPAKRLAOJH-NBUZRDOWSA-N 309.365 3.244 0 40 DGAB C[C@@](O)(CNC(=O)c1cccc(Cl)c1)Cc1ccsc1 618256766 LSHZWXARDNFKEF-HNNXBMFYSA-N 309.818 3.125 0 40 DGAB Cc1cc(C)n(-c2ccc(NC(=O)Nc3ccc(O)cc3)cn2)n1 97104538 RFGOKMOFCYHWRP-UHFFFAOYSA-N 323.356 3.234 0 40 DGAB Cc1cc(CNC(=O)Cn2c(C)nc3ccccc32)ccc1F 40049223 BHJHEIHSBPJLRY-UHFFFAOYSA-N 311.360 3.109 0 40 DGAB CCc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)cc1 40097913 LWUQKBVKAZFRSR-INIZCTEOSA-N 320.339 3.382 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(F)c(F)c2)cc1 40097572 HNQGNCUBLZXOGS-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 40104353 HKUYVAAUZLYIDC-GFCCVEGCSA-N 312.435 3.036 0 40 DGAB COc1cccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)c1 100994374 WYQSVMRCNZXJDB-KRWDZBQOSA-N 304.353 3.343 0 40 DGAB Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccccc2C)cc1 224813 VCOHBAFDDZYAKK-UHFFFAOYSA-N 317.410 3.106 0 40 DGAB Cc1cnnn1-c1ccc(-c2nnc(Cc3ccccc3)o2)cc1 20717774 HDXKLSBPQFIVEH-UHFFFAOYSA-N 317.352 3.217 0 40 DGAB CCCCc1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 32770094 SHMMJSHKQQDSBL-HNNXBMFYSA-N 319.380 3.125 0 40 DGAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCc2sccc2C1 32930983 DLZVTCRGJKAQCB-UHFFFAOYSA-N 323.421 3.061 0 40 DGAB O=C(c1csc(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@H]21 53377197 PURPTUATZHXJNA-HUUCEWRRSA-N 314.410 3.204 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cccnc1N1CCCC1 23675208 NXUYBUCHGVLPQU-UHFFFAOYSA-N 315.804 3.265 0 40 DGAB Cn1cc(-c2nc3scc(-c4cccs4)c3c(=O)[nH]2)cn1 54751836 YKWFAMKJKUZJLW-UHFFFAOYSA-N 314.395 3.114 0 40 DGAB COc1ccccc1CNC(=O)CSCc1ccc(F)cc1 262644 YHIZDRCEVCGGAQ-UHFFFAOYSA-N 319.401 3.384 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1F 2345158 YEVPIVJKEJJEEU-UHFFFAOYSA-N 323.393 3.148 0 40 DGAB CC1=C(C(=O)OCCC(C)C)[C@@H](c2ccc(C)cc2)NC(=O)N1 195048 ADHHXKFKAQYOAF-MRXNPFEDSA-N 316.401 3.212 0 40 DGAB CC(C)(C)c1nnc(Nc2ccc(C(F)(F)F)cc2)[nH]c1=O 2718761 GFOFOSKKRCDFRA-UHFFFAOYSA-N 312.295 3.225 0 40 DGAB CCOC(=O)c1cnc2ccccc2c1NC[C@H]1CCCO1 50928282 WTBVHVFAYKRSIQ-GFCCVEGCSA-N 300.358 3.002 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc2c(c1)OCO2 3607257 IBLQLDWTTMFJJF-SNVBAGLBSA-N 319.744 3.475 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccccc1 4651102 NXKDKEVNETWTOP-LEOABGAYSA-N 301.386 3.001 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CC[C@@H]2O 4759216 FNRMBSNOUHBOND-CTPLVLMWSA-N 304.430 3.090 0 40 DGAB in-vitro O=C(NC1CCCC1)C1(c2ccccc2Cl)CCOCC1 69705561 NYOGNVBZWYDYNP-UHFFFAOYSA-N 307.821 3.447 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102194828 XFHDZNYOXSXEGW-COPLHBTASA-N 306.431 3.179 0 40 DGAB CC(C)(C)C(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 2404986 KZNJWFQKVVBASJ-ZDUSSCGKSA-N 323.396 3.374 0 40 DGAB CCCCCNC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 45586596 RCLYVPJFIAWTJB-OAHLLOKOSA-N 318.396 3.138 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 101275104 PMWRSNKNSLWFBQ-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1F 11497953 UVPGPEGNGXMOSX-ZDUSSCGKSA-N 316.307 3.338 0 40 DGAB C[C@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 9993294 ANTSYZGOFZASBN-JTQLQIEISA-N 320.751 3.295 0 40 DGAB O=c1[nH]c(-c2cccs2)nc2ccc(Br)cc12 53850669 CZAQZLFIXOQDQI-UHFFFAOYSA-N 307.172 3.414 0 40 DGAB NC(=O)c1cccc(C(=O)Nc2ccc(OC3CCCC3)cc2)c1 29378080 ZOYDPSURDDVOKJ-UHFFFAOYSA-N 324.380 3.359 0 40 DGAB Cc1oc(-c2cccs2)nc1CC(=O)Nc1nccs1 22474900 CKYPXVBDVRYRIF-UHFFFAOYSA-N 305.384 3.349 0 40 DGAB COc1ccc(-c2[nH]ncc2-c2cc(OC)c3c(c2)OCO3)cc1 96336554 SADWVZUZENJIKN-UHFFFAOYSA-N 324.336 3.490 0 40 DGAB CSC[C@H](C)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455088 RCIDPCGEXLHJIQ-AWEZNQCLSA-N 321.490 3.048 0 40 DGAB Cc1ccccc1[C@@H](C)NCc1noc(C2CCOCC2)n1 104355061 WZRBDXFUKJRFPG-CYBMUJFWSA-N 301.390 3.123 0 40 DGAB CO[C@H](C(=O)Nc1cccc(-c2ncc[nH]2)c1)c1ccccc1 96411640 SRIWNJKYEIIXAQ-INIZCTEOSA-N 307.353 3.403 0 40 DGAB c1ccc(-c2nnc(CN3CCN(c4ccccc4)CC3)o2)cc1 54220057 AIAISCQREGDMJM-UHFFFAOYSA-N 320.396 3.059 0 40 DGAB CC(=O)Nc1cccc2c1CCN(Cc1ccc(Cl)nc1)C2 54392201 QGUBQWIZLAYJLA-UHFFFAOYSA-N 315.804 3.252 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)C1(c2cccc(Cl)c2)CCC1 42535082 FYLXFGAFEFXFRF-ZDUSSCGKSA-N 317.820 3.163 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2cc(F)cc(F)c2)cc1OC 20029684 OTDIGXPRDCRZOY-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB CCOC(=O)[C@H](C(C)=O)C(=O)c1ccc(-c2ccccc2)cc1 100292049 FQLOASMOVXNUCJ-QGZVFWFLSA-N 310.349 3.305 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](NC1CC1)c1ccccc1 7387726 JWBKTYINXWGDOE-GOSISDBHSA-N 310.397 3.435 0 40 DGAB COc1ccc(OC)c(CNC(=O)Nc2ccccc2OC)c1 25242698 GMMFDLQOWVSSDV-UHFFFAOYSA-N 316.357 3.034 0 40 DGAB CCOc1cc2c(cc1CNc1cc(C)nc(C)n1)O[C@@H](C)C2 43533406 PGUMWVRVBMVHMW-LBPRGKRZSA-N 313.401 3.428 0 40 DGAB Cc1ccc(C(=O)N2CCC(N(C)c3ccccc3)CC2)cn1 57089706 HUMJTWLPJWJWTQ-UHFFFAOYSA-N 309.413 3.131 0 40 DGAB Cc1cc(OCC(=O)O)ccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 108070275 JBLFHLIABKJVJP-MELADBBJSA-N 317.385 3.223 0 40 DGAB Cc1csc([C@@H](NC(=O)[C@H](C)N2CCCCCC2)C2CC2)n1 89705333 SBIUQBGPXHLNSL-ZFWWWQNUSA-N 321.490 3.283 0 40 DGAB CCCCOc1cc(C)cc2oc(=O)c(CC(=O)O)c(C)c12 1805695 PFJNNWUOSOQKCN-UHFFFAOYSA-N 304.342 3.216 0 40 DGAB CCc1cccc(Nc2ccc3nnc(C(F)(F)F)n3n2)c1 12585828 AMQUUGVRWROEEI-UHFFFAOYSA-N 307.279 3.449 0 40 DGAB O=C(COc1cccc2c1CCC2=O)Nc1cccc(Cl)c1 10197724 ZLCWNOPPJZGRNP-UHFFFAOYSA-N 315.756 3.486 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccc3nccnc3c1)SCC(O)=N2 44901935 BGMHURBLSHTGSU-CQSZACIVSA-N 311.370 3.086 0 40 DGAB CN(C(=O)CSc1nnc(C2CC2)s1)c1ccccc1 80617991 QRCVFFIQVHIPBX-UHFFFAOYSA-N 305.428 3.171 0 40 DGAB COc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)c(OC)c1 2242366 WAYPLQCEADSDRD-KRWDZBQOSA-N 312.321 3.188 0 40 DGAB COc1ccccc1-c1nnc(S[C@H]2CCCCC2=O)n1C 12851707 GTFNUCSXTZEWPO-AWEZNQCLSA-N 317.414 3.095 0 40 DGAB CN(CC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)c1ccco1 12872511 BZOMODLLWXXXAN-UHFFFAOYSA-N 314.385 3.288 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)c(C)o1 3464222 IVHDSQAQLGKQFC-LLVKDONJSA-N 305.305 3.220 0 40 DGAB Cc1nccn1-c1ccc(CNCc2ccc(F)cc2F)cn1 48782269 UKJKHMIHLOSAOT-UHFFFAOYSA-N 314.339 3.144 0 40 DGAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)c(C)o2)cc1 8333045 NJCCHUCQRXPHES-UHFFFAOYSA-N 304.371 3.225 0 40 DGAB CCOc1ccccc1N1CN(C2CCCCC2)CNC1=S 13636042 ITSIPQHOTOMCRU-UHFFFAOYSA-N 319.474 3.330 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 4350112 CDEHCKCDXDGRSX-YXYQAXARSA-N 305.355 3.220 0 40 DGAB COc1ccccc1[C@H](CNc1nc2ccccc2n1C)N(C)C 89749741 KMBUKEFIUOSCCZ-KRWDZBQOSA-N 324.428 3.297 0 40 DGAB Cc1cc(C)cc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)c1 6548950 DERZJTQZTJXDCR-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB O=C(NCc1cccnc1)c1cccc2c1-c1ccccc1C2=O 5521141 TUPHNDDMSGAGFF-UHFFFAOYSA-N 314.344 3.223 0 40 DGAB COc1cc(CNc2ccc(Cl)cc2)ccc1OCC(=O)O 4723301 ZJAYNHWRAPKRGD-UHFFFAOYSA-N 321.760 3.424 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 69652467 LXQRLGCELXIWEY-CVEARBPZSA-N 306.475 3.156 0 40 DGAB c1ncn(C[C@H]2CCCN2Cc2csc(C3CCCC3)n2)n1 69617609 UCOQSKQFSFSBEY-OAHLLOKOSA-N 317.462 3.057 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1 8816436 OTQLBFIGSRPOTK-OAHLLOKOSA-N 314.429 3.423 0 40 DGAB CCn1c(CNC(=O)c2cccc3ccccc23)n[nH]c1=S 71846990 CRBFSGLDQLVSBX-UHFFFAOYSA-N 312.398 3.044 0 40 DGAB CCc1noc([C@H](C)N2CC=C(c3cccc(OC)c3)CC2)n1 83830463 LMCKVXDSNTVMGI-ZDUSSCGKSA-N 313.401 3.491 0 40 DGAB O=C(c1cnn(-c2ccccc2)c1)N1CCOc2cc(F)ccc21 71911058 URUHDVXQGDGQGI-UHFFFAOYSA-N 323.327 3.051 0 40 DGAB Cc1cccc([C@@H](C)OC(=O)c2ccc(CS(C)(=O)=O)o2)c1 76017915 AZZGCBAUBLLICU-GFCCVEGCSA-N 322.382 3.051 0 40 DGAB COc1cc2c(cc1CNCc1cnc(C)s1)O[C@H](C)C2 78448260 PVXSMVXMMTWUNF-SNVBAGLBSA-N 304.415 3.073 0 40 DGAB C[C@H](C[C@H](O)c1cccs1)NCc1cccc2cn[nH]c12 97230186 ULSPIENDXISLGZ-RISCZKNCSA-N 301.415 3.226 0 40 DGAB O=C(CCCc1nnc2ccccn12)Nc1ccc(Cl)cc1 72402281 JOIYSDVLDRUCQO-UHFFFAOYSA-N 314.776 3.344 0 40 DGAB CC[C@H](C(=O)NCCCOc1ccc(C)cc1)N(CC)CC 78822577 YXWUMLUNJFKWRH-QGZVFWFLSA-N 306.450 3.001 0 40 DGAB C[C@@H](NCCc1ccc(-n2cccn2)cc1)c1cncc(F)c1 95419898 MJDNRKLIRWRDHQ-CQSZACIVSA-N 310.376 3.300 0 40 DGAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccncc1Cl 95430450 HDWRHPGJJXGEQV-LLVKDONJSA-N 304.777 3.144 0 40 DGAB COCC[C@H](C)C(=O)N1CCS[C@H](C)[C@@H]1c1ccccc1 73815124 GVLHILYIEJUSDT-SQWLQELKSA-N 307.459 3.364 0 40 DGAB CCCc1noc([C@@H](C)Nc2ccc(N3CCOC3=O)cc2)n1 79912233 DOGKQVMDSLSODC-LLVKDONJSA-N 316.361 3.152 0 40 DGAB O=C(O)c1ccc(CSc2nnc(Cc3ccccc3)o2)o1 408552235 KFVDRINSVXSEOY-UHFFFAOYSA-N 316.338 3.244 0 40 DGAB COc1ccc(N(C)C(=S)Nc2cccc3cnncc23)cc1 408975151 IKJUEWIDKWREGV-UHFFFAOYSA-N 324.409 3.472 0 40 DGAB CC(=O)Nc1ccc(CNCCOc2ccc(F)c(F)c2)cc1 78604195 RKDJMGHHNRCJJD-UHFFFAOYSA-N 320.339 3.092 0 40 DGAB CC1CCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)CC1 72394686 CWWFTSPNGWBVCU-UHFFFAOYSA-N 312.461 3.262 0 40 DGAB C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@H]1CO 189746721 BCDPBDXZBRHBHR-GUYCJALGSA-N 318.417 3.243 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(F)c2)c(C)c1C 74935903 LIXFEXWHTNZMDW-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(Cc1cccc(Br)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 78144103 WFXXKTITUNIKBL-OUCADQQQSA-N 308.219 3.296 0 40 DGAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1 40621158 KAMDOKUMNIDGGT-UHFFFAOYSA-N 303.427 3.127 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(F)cc2Cl)C1 40107581 FKKIBBQBJJJFON-TXEJJXNPSA-N 312.816 3.187 0 40 DGAB CN(C(=O)c1ccnn1C)c1ccc(C(F)(F)F)cc1Cl 225531723 XZUFGWLAILMLPB-UHFFFAOYSA-N 317.698 3.369 0 40 DGAB CC(C)COc1ccccc1CN1CCC[C@H](CC(=O)O)C1 567709414 FDGVWFZFSFGHDE-OAHLLOKOSA-N 305.418 3.408 0 40 DGAB COc1cccc(OC)c1CNC(=O)C1(c2ccccc2)CC1 225988560 KUZCVVGRBJZWPC-UHFFFAOYSA-N 311.381 3.052 0 40 DGAB O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 40478426 WDCMQDOPELWFNG-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB O=C(CCCn1cc(-c2ccc(F)cc2)cn1)NCCC1CC1 227167025 SVERRXBBBLMPDK-UHFFFAOYSA-N 315.392 3.386 0 40 DGAB Cc1noc(C)c1COc1ccc(CNc2ncccn2)cc1 195573315 OWVQXDWHUCYBLA-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB Cc1nc(-c2ccccc2C)n(Cc2nccn2C(F)F)n1 81079627 JVAYWBNHLJPCLZ-UHFFFAOYSA-N 303.316 3.202 0 40 DGAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225821303 RWCGHHHUMYFSLM-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB CCO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)cc1 225689608 OEFKZMPQWXNARC-SFHVURJKSA-N 323.433 3.492 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CN1CCC(OC[C@@H]2CCOC2)CC1 195575955 PMRZOBMWZYNEMI-LMMKCTJWSA-N 307.478 3.496 0 40 DGAB CCN1CCN(c2cccc(NC3C[C@@H](C)O[C@H](C)C3)c2)CC1 191885602 YWPDRHACRMVEHU-HZPDHXFCSA-N 317.477 3.196 0 40 DGAB CCOc1cc(-c2nc(-c3ccc(OC)cc3)n[nH]2)ccc1O 85384584 VBCYPZFRXIBVCY-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB COc1cc(C)ccc1CNc1ccccc1S(C)(=O)=O 96466165 XPRVPXFIUBUDOY-UHFFFAOYSA-N 305.399 3.019 0 40 DGAB O=C(Nc1cnn(-c2ccccc2Cl)c1)N1CCSCC1 96422052 GGWABSIZUBNOEW-UHFFFAOYSA-N 322.821 3.106 0 40 DGAB CCOc1cccc(CNc2ccccc2N2CCCC2=O)n1 96494094 GKIPIXUWJLKLTQ-UHFFFAOYSA-N 311.385 3.219 0 40 DGAB Cc1ncc(CN2CCC[C@@H](c3cn[nH]c3)C2)n1-c1ccccc1 92809817 GEFIMKWAJDHHBM-MRXNPFEDSA-N 321.428 3.283 0 40 DGAB CN(C(=O)C(F)(F)F)c1cc(C(F)(F)F)cc(Cl)n1 91694994 SCJPBILRDCKCGK-UHFFFAOYSA-N 306.593 3.279 0 40 DGAB COCCN(C)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500299 UDDDLHPWQVVDCP-UHFFFAOYSA-N 308.712 3.052 0 40 DGAB Cc1nc([C@@H]2CCCCN2C(=O)C(C)(C)C)cc2cncn12 257326749 WYLPLJBYBGTCNX-HNNXBMFYSA-N 300.406 3.137 0 40 DGAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(Cl)cc2F)n1 257260430 LCUUHFAWBMIBBJ-AWEZNQCLSA-N 309.772 3.084 0 40 DGAB c1ccc(CN2CCC[C@H](c3nc(C4CSC4)no3)C2)cc1 585120316 HJHKUICZAIYYPZ-AWEZNQCLSA-N 315.442 3.280 0 40 DGAB CN[C@@H]1CCC[C@@H](Nc2ccccc2Oc2ccccc2)[C@@H]1O 585262376 CGVRSUSWDFQEIY-ZHALLVOQSA-N 312.413 3.392 0 40 DGAB CCCNC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 51584345 WVJDKBKQFHGEKN-OAHLLOKOSA-N 317.433 3.019 0 40 DGAB CCS(=O)(=O)Nc1ccc(Nc2nc3ccccc3o2)cc1 52467347 GHILQDPMNJOIDI-UHFFFAOYSA-N 317.370 3.333 0 40 DGAB CCNc1ncc(C(=O)N2CCCc3sccc3C2)s1 225491989 POYACJZYXQEQJL-UHFFFAOYSA-N 307.444 3.225 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4CCC(=O)C[C@@]43C)[C@@H]1CC[C@@H]2O 5276667 PRCPAPQMRSUFRB-GZQCLJOESA-N 304.430 3.138 0 40 DGAB CCc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCC[C@@H]1C(=O)O 5471525 LFYMXNFTDYJBDH-CVEARBPZSA-N 315.413 3.419 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1-n1ccnc1)C(F)(F)F 12560501 TTXMVGOUZUEBBA-UHFFFAOYSA-N 323.196 3.392 0 40 DGAB Brc1ccc(-c2nc3c4c(ncn3n2)CCC4)cc1 13655443 QHCPRDKZKJWBBT-UHFFFAOYSA-N 315.174 3.043 0 40 DGAB COc1ccccc1CC(=O)Nc1ccc(CN2CCCC2)cc1 14120124 CZMOIONLMVZBLS-UHFFFAOYSA-N 324.424 3.472 0 40 DGAB CC(C)(C)c1noc([C@@H]2CCN(Cc3cccc(F)c3)C2)n1 19084631 KMYHPSBKUYDYFJ-CYBMUJFWSA-N 303.381 3.496 0 40 DGAB O=C(O)/C(=C\c1ccccc1Cl)S(=O)(=O)c1ccccc1 1620241 MKBJBCHFVNPXSA-GXDHUFHOSA-N 322.769 3.239 0 40 DGAB COc1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1C 6601468 ZTNTYYMZZGWHAV-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB NC(=O)[C@H](Nc1ccccc1)c1ccc(Br)cc1 26895911 FBZPZFVANIAGGG-CYBMUJFWSA-N 305.175 3.088 0 40 DGAB O=C(NCc1ccccc1F)c1cccc(Nc2ncccn2)c1 28063199 DUCBPUYIJUKZIX-UHFFFAOYSA-N 322.343 3.289 0 40 DGAB C[C@@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 95423911 NRKKRGGMOJABBG-PXAZEXFGSA-N 322.399 3.407 0 40 DGAB Cc1cc(C)cc(NC(=O)NCCc2ccc3c(c2)OCO3)c1 40097781 OCKHDBLVZLUXLI-UHFFFAOYSA-N 312.369 3.396 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30174696 VBPMGBOXPYMAMN-CZUORRHYSA-N 314.385 3.099 0 40 DGAB c1ccc(C2CCN(c3cncc(-n4cccn4)n3)CC2)cc1 40153531 WHCADEHRGZABLL-UHFFFAOYSA-N 305.385 3.046 0 40 DGAB Clc1cccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)c1 156291 DPNBITANCRKYMZ-UHFFFAOYSA-N 322.759 3.373 0 40 DGAB CCC1=NN(C(=O)c2ccccc2C)[C@](O)(c2ccccc2)C1 301860 HOGFOIJHCYHHNQ-LJQANCHMSA-N 308.381 3.452 0 40 DGAB CCOC(=O)c1cccc(C(=O)c2cccc(CN3CCC3)c2)c1 2515111 RQIZJQCZGFPFPH-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB O=C(CN1CCCc2ccccc21)NCc1ccccc1Cl 2644408 MIHLWVRNJLCNCT-UHFFFAOYSA-N 314.816 3.409 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(F)cc2)cc1 3344880 CECCRFKTKRWYQN-UHFFFAOYSA-N 300.333 3.056 0 40 DGAB CCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C(C)(C)C 5248488 PTXJIKRIWPOZRA-UHFFFAOYSA-N 300.402 3.374 0 40 DGAB CC(=O)C[C@@H](c1cccc(O)c1)c1c(O)c2ccccc2oc1=O 5431158 DDKYQGKCKYAWAT-HNNXBMFYSA-N 324.332 3.315 0 40 DGAB biogenic,in-vitro COC(=O)c1ccc(/C=C/C(=O)OCc2ccc(F)cc2)cc1 6637955 ZXZJBTWMYNOOSH-IZZDOVSWSA-N 314.312 3.369 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccc(C)cc2C)ccc1F 7360719 CDYNCPLYDLDSBB-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(Nc1cccc2cnccc12)[C@@H]1COc2ccccc2O1 7655398 USRNWJKDXKDIEF-KRWDZBQOSA-N 306.321 3.013 0 40 DGAB C[C@@H](Sc1ncnc2scc(-c3ccccc3)c12)C(N)=O 7736358 CJRSPFCWAJYYSY-SECBINFHSA-N 315.423 3.324 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)N[C@H]1CCCC[C@@H]1C 8268430 WLSCLJJEZLVYFG-JSGCOSHPSA-N 320.458 3.432 0 40 DGAB O=C(COc1ccc(F)cc1)NCCSc1ccccc1 8361213 DMOMPJYSYBHQQT-UHFFFAOYSA-N 305.374 3.113 0 40 DGAB Cc1cc(NC(=O)c2sc3nc(C)c(C)c(C)c3c2N)on1 8783652 OZEQMIHWQNNGSP-UHFFFAOYSA-N 316.386 3.352 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 9255899 AKXVTNZVSDESEJ-UHFFFAOYSA-N 308.381 3.315 0 40 DGAB O=C(Nc1ccccc1OC(F)F)c1ccc2nccnc2c1 9496802 LOMSZKSOKANQOK-UHFFFAOYSA-N 315.279 3.484 0 40 DGAB COc1ccc(-c2cc(=O)n(-c3ccccc3C)[nH]2)cc1OC 9937114 PMEPUMWEOLCWNQ-UHFFFAOYSA-N 310.353 3.158 0 40 DGAB Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1 11764928 LCYTZYWYJZFEAS-UHFFFAOYSA-N 310.332 3.154 0 40 DGAB C[C@@H](Oc1ccc(-c2cc3ccccc3oc2=O)cc1)C(=O)O 11766139 OIOBQQFQVATWMH-LLVKDONJSA-N 310.305 3.312 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccc(CN2CCCCC2)cc1 12320992 SOOHVQUSPMMHPM-UHFFFAOYSA-N 320.392 3.473 0 40 DGAB CCCc1noc2ncc(C(=O)c3cc(F)ccc3O)cc12 12885120 WUJULQFGHSUZSH-UHFFFAOYSA-N 300.289 3.251 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCCNC(=O)c1cccs1 12888475 XKXANVUCMVXHAG-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1cc(=O)[nH]c2ccccc12 15005470 SGLACAXZADUXAS-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CCCN1C(=O)CN(c2ccc(C)cc2)C(=O)[C@@H]1c1ccccc1 15413218 HFVUJTOOCMOWSW-IBGZPJMESA-N 322.408 3.322 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](N(N=O)c3ccc(C)cc3)C2=O)cc1 17989051 RHFTVVFGOPUQRL-INIZCTEOSA-N 323.352 3.123 0 40 DGAB C[C@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@H](C)O1 20572474 FXBUKHBBVZDQJF-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB Cc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)cc1C 22028195 BAJFXABCJIGHKM-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1cccnc1 22283306 CDMXNMDERGYNSU-UHFFFAOYSA-N 324.302 3.091 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc(-c3csc(C)n3)c[nH]2)no1 25137298 DINLLGHHXQAIPR-UHFFFAOYSA-N 316.386 3.015 0 40 DGAB Cc1nc(C)c(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1 29117128 LLSCWSSSFRABAI-AWEZNQCLSA-N 320.389 3.113 0 40 DGAB COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1 29607503 AYCIWEZHMKEEEM-UONOGXRCSA-N 315.335 3.475 0 40 DGAB Cc1nc(CCNCc2c[nH]nc2-c2cccs2)cs1 30662754 LIJMXPYHHKEYHG-UHFFFAOYSA-N 304.444 3.235 0 40 DGAB CC(C)c1noc(-c2ccc(OCC(=O)NC(C)(C)C)cc2)n1 32579092 IJFBVZBVVGVRJJ-UHFFFAOYSA-N 317.389 3.154 0 40 DGAB O=C(Cc1noc2ccccc12)N1CCCc2ccc(F)cc21 40117278 XYSOZYZYIZHVBC-UHFFFAOYSA-N 310.328 3.489 0 40 DGAB CO[C@H]1CCCC[C@@H]1OC(=O)c1oc2c(c1C)C(=O)CCC2 44734923 DPGRFGJAHOOCEV-STQMWFEESA-N 306.358 3.221 0 40 DGAB CN(C(=O)c1ccc(Cl)c(N2CCCC2=O)c1)C1CCCC1 44890236 OHMNPXJGIUHWEO-UHFFFAOYSA-N 320.820 3.481 0 40 DGAB Cc1cc(C(=O)Nc2ccc(Sc3nncs3)cc2)on1 47407820 XWCIQCYVAWPZNG-UHFFFAOYSA-N 318.383 3.238 0 40 DGAB COc1cc(C(=O)Nc2ccc3oc(=O)ccc3c2)ccc1C 54252640 WKHFPGIMSSIQOP-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB O=C(NCCc1nc2c(s1)CCCC2)c1ccccc1F 58332090 SBYRHVHPOXTWMN-UHFFFAOYSA-N 304.390 3.134 0 40 DGAB Cc1cc(NC(=O)[C@H](Sc2ccc(O)cc2)C(C)C)no1 64037565 QUYKSNFVIGRSDJ-CQSZACIVSA-N 306.387 3.444 0 40 DGAB O=C(C[S@@](=O)Cc1ccccc1)Nc1ccc(Cl)cc1 66300304 CPAMGDKFFDLNDB-HXUWFJFHSA-N 307.802 3.227 0 40 DGAB Fc1ccc(CN2CCCC[C@H]2C2OCCO2)c2ncccc12 69310242 GCTVYZCEYQYNQH-INIZCTEOSA-N 316.376 3.101 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2nncn2c1 69528480 YSKBVSKQVBSNLW-LBPRGKRZSA-N 320.352 3.309 0 40 DGAB Cc1ccccc1-c1noc(CN[C@@](C)(CO)c2ccccc2)n1 69595520 AVKMNBOKFGIQMK-IBGZPJMESA-N 323.396 3.042 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69779861 CRNHLMLIHYGZNR-KGLIPLIRSA-N 321.490 3.274 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 69819578 HJZUIHHYTANELT-GOSISDBHSA-N 309.413 3.158 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]2CCCC[C@@H]21 71828355 QOJRMTCPBDIVPV-HOCLYGCPSA-N 310.401 3.062 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 71882225 LQTXGYFNSLUSRN-KGLIPLIRSA-N 313.405 3.222 0 40 DGAB Cc1noc(C2(c3ccc(Br)cc3)CCOCC2)n1 71890020 RFWJLDYNHNUHSB-UHFFFAOYSA-N 323.190 3.237 0 40 DGAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@@H]1CC=CCC1 71908856 XAQPSJJUKJBIKF-LLVKDONJSA-N 317.776 3.363 0 40 DGAB COCCN(Cc1ccccn1)C(=O)/C=C/C1CCCCC1 71910528 UMGPYLFZVTZFOS-ZHACJKMWSA-N 302.418 3.193 0 40 DGAB CC(C)CN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 72216605 QUWSAWOTOVJQMM-SFHVURJKSA-N 316.493 3.016 0 40 DGAB O=C(/C=C/c1ccncc1)Nc1ccc(N2CCCCC2)cn1 72273066 HGPZAPMWSNVTLW-QPJJXVBHSA-N 308.385 3.119 0 40 DGAB Cc1cccn2cc(CS(=O)(=O)c3cccc(Cl)c3)nc12 78978752 UJTUKPIIDZEOMO-UHFFFAOYSA-N 320.801 3.270 0 40 DGAB Cc1nc(CCCC(=O)N2CCc3ccccc3CC2)cs1 79021212 IEARVBYDVZBQSS-UHFFFAOYSA-N 314.454 3.402 0 40 DGAB COc1cc(CCC(=O)Nc2ccc(C(F)(F)F)cc2)on1 79492924 OXGXPGAPXGNFHY-UHFFFAOYSA-N 314.263 3.273 0 40 DGAB CC(C)c1nc(CNC2(c3noc(C(C)C)n3)CCCC2)no1 84631075 IXATVTKRIUFZFN-UHFFFAOYSA-N 319.409 3.259 0 40 DGAB Cc1cc(N2CCOC[C@@H]2Cc2ccccc2)nc(C2CC2)n1 89599400 WTKVPXOCJGYMIH-KRWDZBQOSA-N 309.413 3.110 0 40 DGAB O[C@@H](CN[C@@H]1CCc2c(Br)cccc21)c1ccco1 91281848 KTPOAYVGIVDAGN-KGLIPLIRSA-N 322.202 3.353 0 40 DGAB CC(C)c1cc(C(=O)N(C)[C@@H](c2cccnc2)C(C)C)nn1C 95405766 PPJWYMAZOBXTTE-QGZVFWFLSA-N 314.433 3.408 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NC[C@H](O)c1ccco1 95419738 YYMOHOUTQOEVLE-AAEUAGOBSA-N 302.399 3.144 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@@H]1Cc1ccco1 95947463 MPLZLAKGFJZNIS-UKRRQHHQSA-N 302.374 3.416 0 40 DGAB CC(C)OC[C@H](O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C 95974920 NNRFKKBZRAKGEM-MNOVXSKESA-N 312.793 3.195 0 40 DGAB c1ccc(CN2CCC[C@]3(CCN(Cc4ccco4)C3)C2)nc1 96046939 BFINUIBTGMQNDY-IBGZPJMESA-N 311.429 3.163 0 40 DGAB c1csc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)c1 96107473 HTDNSBDZVMJHSC-RDJZCZTQSA-N 307.459 3.298 0 40 DGAB COCc1cccc(C(=O)Nc2cccc(-c3ncc[nH]3)c2)c1 96411643 QRTMUTMTHFFBAS-UHFFFAOYSA-N 307.353 3.475 0 40 DGAB Cc1ccnc(Oc2cc(NCC(=O)NC3CC3)ccc2C)c1 96427580 UIERDUJIMGGOCD-UHFFFAOYSA-N 311.385 3.181 0 40 DGAB CN(C)c1nccc(CN[C@@H]2CC3(CCC3)Oc3ccccc32)n1 96493543 IMGBONTYJZOKBO-MRXNPFEDSA-N 324.428 3.079 0 40 DGAB C[C@@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1)C(=O)O 97035412 SAQXEAPWOQJBJZ-NSHDSACASA-N 320.776 3.031 0 40 DGAB Cc1nc2ncc(C(=O)N3c4ccccc4SC[C@H]3C)cc2[nH]1 97108945 FTLVSRJMHMGLMR-SNVBAGLBSA-N 324.409 3.407 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)[C@@H](C)OCC 97233678 JJRNIZSNSBTPPC-SECBINFHSA-N 315.211 3.244 0 40 DGAB C/C(=C\C(=O)NCc1nccn1C)c1ccccc1C(F)(F)F 98013525 WWNXRSQSQSFLGU-PKNBQFBNSA-N 323.318 3.159 0 40 DGAB COCCOc1ccc(CN2[C@@H]3CC[C@@H]2c2cccnc2C3)cc1 100198511 WNDZPERPKXUNAX-OXQOHEQNSA-N 324.424 3.369 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)cc1 101275102 MLTGJKJYWXJSET-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB O[C@H](CN[C@H]1C[C@@H]2CC[C@@H]1C2)COc1cccc2ccccc12 104148951 BVGSRENJZPUAPS-MYZZLAAOSA-N 311.425 3.358 0 40 DGAB O=C(CCC(=O)c1cccs1)Nc1ccc(C(=O)O)cc1 170583568 VHILTQWHXRMKQK-UHFFFAOYSA-N 303.339 3.048 0 40 DGAB Cc1ncnc(NC2CCCCC2)c1I 217589700 PLHZZTYLQLPGCO-UHFFFAOYSA-N 317.174 3.134 0 40 DGAB COc1ccccc1CNC(=S)Nc1ccc(F)c(F)c1 225312673 XGFITOYFYMBHTO-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB O=C(NC1CCCCC1)c1ccc2c(c1)OCC1(CC1)CO2 225363324 BBJRKAGSWVZRSE-UHFFFAOYSA-N 301.386 3.301 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)c3nc(N)sc3c2)cc1 226310855 CQXFGLOEVNJTOF-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB O=C(NCc1ccc2c(c1)CCCO2)[C@H]1C[C@H]2C=C[C@H]1C21CC1 247519896 XAJBXIKYUXSRPA-IXDOHACOSA-N 309.409 3.230 0 40 DGAB O=C(c1cc[nH]n1)N1CCC(Cc2cccc3cccnc23)CC1 257231839 GIJFBHPGOOPSHF-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H]2c2ccncn2)cc1 257298786 RNHCCUDUMTUGFX-QGZVFWFLSA-N 305.385 3.204 0 40 DGAB O=C(Cc1ccccc1F)N1CCC[C@@H](Cc2cccnc2)C1 257332718 XYJHFXOAPUADNW-INIZCTEOSA-N 312.388 3.245 0 40 DGAB COc1ccccc1C(=O)Oc1ccc(-c2ccccc2)nn1 408531679 WOBMRGUPEJCHAQ-UHFFFAOYSA-N 306.321 3.371 0 40 DGAB Cc1nnccc1C(=O)Nc1ccc(Cc2ccncc2)cc1 533120149 QYGQPCGSHDGMHJ-UHFFFAOYSA-N 304.353 3.023 0 40 DGAB C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CC2CCC1CC2 563273795 VZPICZAZYVYAGB-OQFSNYMVSA-N 317.477 3.302 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(C[C@H]2CCCCO2)CC1 1207950309 RQVJXKINFUIYKZ-MRXNPFEDSA-N 309.837 3.193 0 40 DGAB Cc1cc([C@H](O)CNC(=O)CCSc2ccccc2)c(C)o1 1565519369 FYPHBNZKYQVCLN-MRXNPFEDSA-N 319.426 3.228 0 40 DGAB Cc1cc(OCC2CCN(c3ncc(Cl)cn3)CC2)ccn1 1775995452 WWLPGIYQCYXAKG-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB C[C@]1(CN2C(=O)CN(c3ccccc3)C2=O)CC1(Cl)Cl 269084 HTSKWGSNUCQSRF-CYBMUJFWSA-N 313.184 3.039 0 40 DGAB COc1cc(-c2noc(-c3cccs3)n2)cc(OC)c1OC 2432458 FBZAJSFJQICZTP-UHFFFAOYSA-N 318.354 3.491 0 40 DGAB CCc1ccc(C(=O)COC(=O)c2cccnc2Cl)cc1 3343514 WIHTVZXBANYSJS-UHFFFAOYSA-N 303.745 3.337 0 40 DGAB CCCNC(=O)COC(=O)/C=C/c1ccc(Cl)c(Cl)c1 3409291 UFJJSRNPUXGOSY-GQCTYLIASA-N 316.184 3.076 0 40 DGAB COc1cc(OC)cc(C(=O)c2c(N)sc3c2CCCC3)c1 3434674 KGTRUCMMVYOPBX-UHFFFAOYSA-N 317.410 3.457 0 40 DGAB Cc1c(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1C 4062522 ZAHYEHRQUGMZGM-SWLSCSKDSA-N 312.413 3.364 0 40 DGAB CCN(C(=O)C(=O)c1c[nH]c2ccccc12)c1ccc(OC)cc1 4163369 VSPXZXINUCBTSR-UHFFFAOYSA-N 322.364 3.412 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@@]2(CCCc3ccccc32)C1=O 4285098 TWTVCGOUEWCMEZ-HXUWFJFHSA-N 320.392 3.279 0 40 DGAB Cc1cccc(Cc2cnc(N3C(=N)S[C@@H](C)C3=O)s2)c1 4384918 MHFJPGDMYSQGCH-JTQLQIEISA-N 317.439 3.445 0 40 DGAB Cc1ccc(Cc2nnc(Nc3c(C)cccc3C)[nH]c2=O)cc1 5154361 CLOQEXNYNPKYQE-UHFFFAOYSA-N 320.396 3.425 0 40 DGAB Cc1ccc(Cc2nnc(Nc3cccc(C)c3C)[nH]c2=O)cc1 5154371 QGDWTBGJBSTYHU-UHFFFAOYSA-N 320.396 3.425 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373836 XWXUVGFHPKDVFI-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB Cc1cc(O)c(SC(F)(F)[C@@H](F)C(F)(F)F)c(=O)o1 5722049 QCYHTXABVWADTN-ZETCQYMHSA-N 308.199 3.239 0 40 DGAB Cc1n[nH]c(SCC(=O)Nc2cccc(Cl)c2Cl)n1 5955488 HBELSXPQLBOJOY-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB COC(=O)c1ccc(COC(=O)c2csc3c2CCCC3)o1 5968322 OOAZYARHTAVXHD-UHFFFAOYSA-N 320.366 3.364 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383051 FSQGAMIALRLWTD-UHFFFAOYSA-N 323.396 3.498 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N2CCc3ccccc32)c1 7600902 ZVUNFGKKYCAJOO-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB O=C(Cc1ccc(Br)cc1)NOCc1ccccc1 8096715 WXKXOEWTFXVZSK-UHFFFAOYSA-N 320.186 3.240 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 8333303 HBOROGHAXAZFBS-DOMZBBRYSA-N 302.418 3.245 0 40 DGAB CCc1noc(C)c1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 8342325 UZXSRLDHZBUIAG-LBPRGKRZSA-N 324.384 3.222 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)NCCCc2ccccc2)cc1 10017356 XTEZUDDWXMCVMD-UHFFFAOYSA-N 324.424 3.498 0 40 DGAB COc1ccc(CNC(=O)c2cc(Cl)sc2Cl)cn1 11006378 IKLWMPAXYCQEIC-UHFFFAOYSA-N 317.197 3.389 0 40 DGAB Cn1cc([C@@H]2CCCCCN2C(=O)c2ccccc2F)cn1 12232519 PECPBMHZYFARFI-INIZCTEOSA-N 301.365 3.317 0 40 DGAB CC(C)c1ccc([C@H](C)NC(=O)COC(=O)C2CCC2)cc1 14139238 MGSTXSHUGRTQTN-ZDUSSCGKSA-N 303.402 3.331 0 40 DGAB Cc1cnc(NC(=O)CCc2nc(-c3cccs3)no2)s1 14226299 CMXDETRUFOOOBN-UHFFFAOYSA-N 320.399 3.134 0 40 DGAB O=C(NC(=S)NNc1ccccc1)c1ccc2ccccc2c1 14257594 JROSUCGXYNYGGZ-UHFFFAOYSA-N 321.405 3.471 0 40 DGAB CSc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 15833065 QGHXZPXDUDIEFD-UHFFFAOYSA-N 324.412 3.229 0 40 DGAB CC(C)OC(=O)[C@@H]1CCN[C@H]1c1cccc(Br)c1 17578469 IXMBVAXQDVTPEC-OLZOCXBDSA-N 312.207 3.051 0 40 DGAB O=C(Nc1nc2ccccc2s1)c1ccc2c(c1)OCCO2 17749201 GPUNIFXDFKKGGR-UHFFFAOYSA-N 312.350 3.320 0 40 DGAB O=C(NCc1nnc(-c2cccs2)o1)c1cccc(Cl)c1 19293349 YDFJYHGQCUNCCF-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccncc1 19617509 NXGUCXCQJHBCIG-UHFFFAOYSA-N 320.396 3.156 0 40 DGAB O=C(NCc1cccs1)c1cccnc1N1CCCCC1 20098060 LHZIUZRESALCNQ-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Br)cc1 20216172 SGFPFRTTYRIOPG-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccs1)CC(O)=N2 20744912 XOZSIAJCUGYVFU-SNVBAGLBSA-N 311.370 3.156 0 40 DGAB O=C(N[C@H](C(=O)O)c1ccccc1)c1cc(Cl)ccc1F 21014592 XJNVWXWMBHFBSC-ZDUSSCGKSA-N 307.708 3.035 0 40 DGAB CCCCc1noc(CSc2nnc(-c3ccco3)n2C)n1 22987825 XCDJGHKDIUMKSE-UHFFFAOYSA-N 319.390 3.093 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 25617588 FUIBCWKLISYRDU-RHSMWYFYSA-N 322.408 3.356 0 40 DGAB Cc1nc(/C=C/C(=O)Nc2cccc(-c3nnco3)c2)cs1 27110743 RZCVAWLDXGFPTG-AATRIKPKSA-N 312.354 3.153 0 40 DGAB Cc1ccc(C(=O)NCC(=O)OCc2ccc(Cl)cc2)s1 28463821 XEZSEOROKLMSDB-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB CC(C)(C)c1noc(CCC(=O)NCc2ccc(Cl)cc2)n1 31205050 QTLGBGWONUWADV-UHFFFAOYSA-N 321.808 3.270 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N[C@H]1CCSc2ccccc21 32338744 KEVXSPRVKZFCEY-ZDUSSCGKSA-N 301.415 3.004 0 40 DGAB Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)[C@H]1CCCO1 32610970 DPUXZUQTDABXPJ-CQSZACIVSA-N 320.820 3.276 0 40 DGAB CCCCC[C@@H](C)NC(=O)NCc1ccc(-n2cccn2)nc1 32795315 JKPKYCDDLKDPFQ-CQSZACIVSA-N 315.421 3.035 0 40 DGAB O=C(NCC(F)(F)F)c1ccc2c(c1)ncn2-c1ccccc1 36709158 WOGMMUIIQXGALI-UHFFFAOYSA-N 319.286 3.318 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2cc(C)ccc2F)cc1 40099191 IJWOAAFTOLUWGA-INIZCTEOSA-N 302.349 3.298 0 40 DGAB Cc1nc2ccnn2c(C)c1CCC(=O)N[C@@H](C)c1ccccc1 40554891 WWHGRUUEPVNQOV-ZDUSSCGKSA-N 322.412 3.156 0 40 DGAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@H]2C[C@@H]2C)c1 44673383 FCUYQQPIWXRKSQ-LRDDRELGSA-N 310.349 3.488 0 40 DGAB Cc1cc(CNC(=O)C[C@@H]2OC(=O)c3ccccc32)ccc1F 44893089 FNYLGOPYRBZIHW-INIZCTEOSA-N 313.328 3.052 0 40 DGAB CCc1cccc(N[C@H](C)C(=O)NCc2ccc(OC)cc2)c1 48301287 MIXZOCOGGOBABA-CQSZACIVSA-N 312.413 3.374 0 40 DGAB C[C@@H](Sc1n[nH]c(N)n1)c1ccc(OC(F)(F)F)cc1 48987159 QMOOZJWDAURAOT-ZCFIWIBFSA-N 304.297 3.139 0 40 DGAB O=C(NCCCOCc1ccco1)c1cccc2cccnc12 54228811 OZNRRFINPUKOHA-UHFFFAOYSA-N 310.353 3.165 0 40 DGAB O=c1[nH]c(-c2ncccn2)nc2scc(-c3ccc(F)cc3)c12 54752071 IDDMLPLZOVMHBU-UHFFFAOYSA-N 324.340 3.248 0 40 DGAB CC(=O)Oc1c(Br)cc(C(C)C)cc1C(=O)O 57339584 IKPJEAPWXUIFIL-UHFFFAOYSA-N 301.136 3.196 0 40 DGAB O=C(/C=C/c1ccccn1)/N=c1\sccn1Cc1ccccc1 58368460 CIZPQGKNMICODX-UCZSYHGZSA-N 321.405 3.134 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)c(C)c1 59379387 APERQPMVJXHKJI-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB CC(C)CNC(=O)Nc1cccc(COCCOC(C)C)c1 62416771 UNPABBBNXOQRDL-UHFFFAOYSA-N 308.422 3.406 0 40 DGAB CCN(CCNC(=O)c1scnc1Cl)c1cccc(C)c1 65403230 QJOZNTUCRSUDPJ-UHFFFAOYSA-N 323.849 3.361 0 40 DGAB CCN(Cc1cccc2c1OCCO2)C(=O)[C@@H]1CC=CCC1 65501279 UAVOHIFTRBTXCI-CQSZACIVSA-N 301.386 3.163 0 40 DGAB CC(C)CN1CCC(NC(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 65593532 UNORZCVHDDWZAZ-ZWKOTPCHSA-N 300.446 3.027 0 40 DGAB O=C(NCC(F)(F)F)C1(c2cccc(C(F)(F)F)c2)CC1 66285382 LPFIEDGKMLCYMY-UHFFFAOYSA-N 311.225 3.416 0 40 DGAB CCCc1nc(-n2cccc2)sc1C(=O)n1nc(C)cc1C 67172502 ZPZDSRXFTOHSNO-UHFFFAOYSA-N 314.414 3.388 0 40 DGAB c1cc2c(cc1[C@@H]1CCCN1Cc1noc(C3CC3)n1)OCO2 69709942 UXPMJAIEMHBROJ-ZDUSSCGKSA-N 313.357 3.013 0 40 DGAB c1csc(-c2cc(CN3CCC[C@@H]3Cn3cccn3)no2)c1 69769088 ZBMCLJLOGJIDQY-CQSZACIVSA-N 314.414 3.264 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)CCc2cnn(C)c2)cc1 70010095 UICNZTSIOQOHII-ZDUSSCGKSA-N 317.458 3.342 0 40 DGAB NC(=O)[C@H](OC(=O)c1sccc1C1CC1)c1ccccc1 71837418 QOZJAGOHBKOWKC-CYBMUJFWSA-N 301.367 3.009 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)CCc2ccsc2)C1 71870674 RNVCJZUMAACNCM-HNNXBMFYSA-N 317.458 3.303 0 40 DGAB CCOc1cc(C(=O)NCc2ccccc2)nn1-c1ccccc1 72264737 HJLRXQGEJWCCQW-UHFFFAOYSA-N 321.380 3.201 0 40 DGAB Cc1cccc(OC[C@H](C)NC(=O)N[C@H](C)c2nccs2)c1 72268154 KUXVSRZASZVICO-QWHCGFSZSA-N 319.430 3.279 0 40 DGAB Nc1c(C(=O)Nc2ccc(Cl)cc2F)nnc2ccccc12 72293063 RRQRBOKSLQMEDG-UHFFFAOYSA-N 316.723 3.257 0 40 DGAB O=C(NCc1ccccc1C(F)(F)F)c1ccc2c(c1)OCO2 72331482 BIAUBFIWQUDQQV-UHFFFAOYSA-N 323.270 3.364 0 40 DGAB c1cnc(Nc2nccnc2[C@H]2CCCN2C2CCCCC2)nc1 72363430 UMDCILGMALYYNB-OAHLLOKOSA-N 324.432 3.480 0 40 DGAB O=C(NC[C@H]1COc2ccccc21)c1ccc(-n2cccc2)cc1 74911629 DKDKVFGVRQEKFF-INIZCTEOSA-N 318.376 3.383 0 40 DGAB Cc1c(F)cccc1NS(=O)(=O)c1ccc(F)c(F)c1 75082665 QJIJMKOVNXLLKN-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(Nc1ccccc1F)N1C[C@@H](O)C[C@@H]1C1CCCCC1 75613018 QCQMHSUAXNTFPW-XJKSGUPXSA-N 306.381 3.373 0 40 DGAB CCOC(=O)c1ccccc1N(CC)C(=O)c1cccnc1C 76040758 KSNKFOBZYLVWDS-UHFFFAOYSA-N 312.369 3.233 0 40 DGAB CCNC(=O)[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 79452417 KOTXXBRGRMSNKF-JSGCOSHPSA-N 306.406 3.025 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)c(C)o1 84081488 WBINMZXHVBLZCS-ZDUSSCGKSA-N 301.346 3.134 0 40 DGAB O=C(Nc1cc(-c2cccs2)n[nH]1)c1ccc2nccnc2c1 92119762 PGPJZDSCESGKAT-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1ccc2c(c1)OCO2 95116055 UZWRWOUOELZZRY-AWEZNQCLSA-N 312.325 3.014 0 40 DGAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1ccc2[nH]ccc2c1 95393246 VFLIVAZIPZBNOS-INIZCTEOSA-N 310.401 3.209 0 40 DGAB CC1(NC(=O)OC(C)(C)C)CCN(C(=O)c2ccccc2)CC1 95629643 KYFSMUIWWZIGKA-UHFFFAOYSA-N 318.417 3.206 0 40 DGAB CN(Cc1ccc(Cl)c(F)c1)C(=O)CCc1ccncc1 95977842 VDONLJZFGZPTNI-UHFFFAOYSA-N 306.768 3.465 0 40 DGAB O=C(Cc1cccs1)NCC[C@@H](O)c1cc2ccccc2o1 96097203 ZUNWMWWZRBHWJR-CQSZACIVSA-N 315.394 3.277 0 40 DGAB c1ccc(CN2CC[C@]3(C[C@H](OCc4ccncc4)CO3)C2)cc1 96110877 KVFIAGLMNOHSFL-PMACEKPBSA-N 324.424 3.032 0 40 DGAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CCOCC1 96134078 YABGVYOSUWOADD-UHFFFAOYSA-N 318.417 3.400 0 40 DGAB CCC(CC)CN1CC[C@]2(CCCN(c3ncccn3)C2)C1 96216961 BBBPIQUIVHFUKG-GOSISDBHSA-N 302.466 3.205 0 40 DGAB C[C@@H](NC(=O)Nc1nccs1)c1cccc(-n2ccnc2)c1 96433662 LXRUKPOLZGAPMD-LLVKDONJSA-N 313.386 3.212 0 40 DGAB C[C@H](C(=O)O)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97228694 BEJRTSVYAFTALM-YVEFUNNKSA-N 322.364 3.360 0 40 DGAB O=C(NC1CCCCC1)[C@@H](Sc1cnn[nH]1)c1ccccc1 98086757 YITJFOAVCGSIOR-HNNXBMFYSA-N 316.430 3.087 0 40 DGAB CN1C(=O)[C@@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 101453990 JSYQASFYARNRNE-UTNBAMHJSA-N 324.424 3.037 0 40 DGAB CCc1ccc([C@H](NC(=O)N2CC[C@H]([C@H](C)O)C2)C(C)(C)C)o1 108497793 ALWDHJTXNRTJPC-XEZPLFJOSA-N 322.449 3.342 0 40 DGAB CCc1nc2n(n1)CCC[C@@H]2NCc1ccc([C@@H]2C[C@@H]2C)o1 153766876 DVPBFXUQDZHPCX-YUTCNCBUSA-N 300.406 3.182 0 40 DGAB CCCN(C(=O)CCc1ccc(C)cc1C)C1CCNCC1 195543727 ARYOGGAPZXXUNG-UHFFFAOYSA-N 302.462 3.227 0 40 DGAB COCC(=O)Nc1cccc(NCc2cc(F)ccc2C)c1 195552835 UNIJTWJEPXGMPE-UHFFFAOYSA-N 302.349 3.331 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)CCc1ccccc1 225596243 POVJQNILJYLFFH-CQSZACIVSA-N 321.417 3.434 0 40 DGAB Clc1ccsc1CN1CCC(OC[C@@H]2CCOC2)CC1 225625314 HUACGSPPRGLORI-GFCCVEGCSA-N 315.866 3.419 0 40 DGAB O=C(NCC1CCN(C2CCSCC2)CC1)[C@H]1CC=CCC1 252569040 VUXREUYLJGPEFB-INIZCTEOSA-N 322.518 3.067 0 40 DGAB Cn1cncc1-c1cccc([C@@H]2CCCN2c2ccccn2)n1 257328146 XEIYRKNXNAZCJW-INIZCTEOSA-N 305.385 3.219 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)NC[C@H](C)c1ccccc1 408707533 NYSFJBKKAYYBHB-JKSUJKDBSA-N 318.461 3.239 0 40 DGAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1cccs1 409085199 YNCXPYOBWWBDFU-RAXLEYEMSA-N 306.456 3.481 0 40 DGAB CCOC(=O)c1ccc(-c2nc3ccccc3n(CC)c2=O)cc1 575444764 LIQGQAJPKDRBDI-UHFFFAOYSA-N 322.364 3.260 0 40 DGAB COc1ccc2cc(-c3nnc(-c4ccco4)o3)c(=O)oc2c1 1775966496 HQUZAJATDZORDR-UHFFFAOYSA-N 310.265 3.112 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)N1CCC(=C2CCC2)CC1 1775986051 RIIRXXHUEUQUTC-UHFFFAOYSA-N 309.406 3.232 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ncc(Cl)cc2F)C1 1889098683 PQMNOPPGNVZFJN-GFCCVEGCSA-N 307.756 3.235 0 40 DGAB Cc1ccc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n2c1 8266467 ZDBMWOCLZKODTH-JKSUJKDBSA-N 311.429 3.015 0 40 DGAB COc1ccc(NC(=O)c2cncn2-c2ccc(F)cc2)cc1 8281099 UPGJSZCSJFHSIO-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CCOC(=O)[C@H](CC)Sc1nnc(-c2ccc(F)cc2)o1 922327 HGGYOLKVESNDAS-NSHDSACASA-N 310.350 3.310 0 40 DGAB Cc1cc(F)ccc1NC(=O)[C@H](C)NC(=O)c1ccccc1F 20252045 PRJOHIQLBLBJBS-NSHDSACASA-N 318.323 3.030 0 40 DGAB COc1ccc([C@@H]2COc3c(ccc(O)c3C)C2)cc1OC 1607542 OFRBAEIYLSMBIS-AWEZNQCLSA-N 300.354 3.437 0 40 DGAB CC1=C(C(=O)OC(C)C)[C@@H](c2cccc3ccccc23)NC(=O)N1 126804 GQALHZASNRSVHL-QGZVFWFLSA-N 324.380 3.419 0 40 DGAB CCc1ccc(C(=O)CCC(=O)Nc2nnc(C)s2)cc1 40457615 IUYPVDJRCFQMHX-UHFFFAOYSA-N 303.387 3.011 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccccc1Cl 100659705 JJMYIEVLLAMGNF-ZOUNZACVSA-N 317.772 3.047 0 40 DGAB CCCOc1cc(Br)c(C(=O)O)cc1OCC 6398373 KTGVGRXDYUNVHZ-UHFFFAOYSA-N 303.152 3.335 0 40 DGAB Cc1cc(C)cc(CSCC(=O)NCCCOC(C)C)c1 6456566 JDBJRFLFHNPFMM-UHFFFAOYSA-N 309.475 3.468 0 40 DGAB CSC[C@H](CCO)N[C@@H](C)c1ccc(Br)s1 96478189 LAKLVMFWLRGXAG-IUCAKERBSA-N 324.309 3.275 0 40 DGAB O=C(CC1=NCCN[C@H](c2ccccc2)C1)c1ccccc1O 100638377 KEQSOUMJJLVRRL-KRWDZBQOSA-N 308.381 3.141 0 40 DGAB CCc1ccc2c(c1)[C@H](NC(C)=O)C(=O)N2CCc1ccccc1 101381776 NMIDVFVDNQIJDK-IBGZPJMESA-N 322.408 3.016 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)N2CCCC2)cc1OCC(F)F 69351230 CHKVMQQMYOAWQT-GFCCVEGCSA-N 312.360 3.062 0 40 DGAB CCCN[C@@H](C(=O)O)c1c[nH]c2cc(Br)ccc12 41128126 UHQMOXCDZAFSQW-GFCCVEGCSA-N 311.179 3.056 0 40 DGAB CCCc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 21524154 MFMCAKGXEKMYAH-UHFFFAOYSA-N 320.399 3.459 0 40 DGAB COCc1ccccc1NC(=O)N[C@@H]1CCOc2ccccc21 46032023 XYXJHGYJBVSPGP-MRXNPFEDSA-N 312.369 3.478 0 40 DGAB O=C(Nc1cccc2cn[nH]c12)c1ccn(-c2ccccc2)n1 32914451 JEJCINHYGKCSIW-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(Cl)cn2)c(C)c1 566814 LSZAKTOOAKGHCK-UHFFFAOYSA-N 319.817 3.479 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H]2CCCC[C@@H]21 46486208 NNGCHLICYWRWNL-ROUUACIJSA-N 312.413 3.271 0 40 DGAB O=Cc1cc(Br)ccc1OC(=O)c1ccccc1 565989 IPLWRHNFDZCPIO-UHFFFAOYSA-N 305.127 3.481 0 40 DGAB Clc1ccc2[nH]c3c(N4CCSCC4)ncnc3c2c1 549910 LEVCMRYLJFGOGA-UHFFFAOYSA-N 304.806 3.318 0 40 DGAB Cc1nnc(CN(Cc2cccc(Br)c2)C2CC2)o1 46600201 OFMGCQNTLQINCX-UHFFFAOYSA-N 322.206 3.305 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1n[nH]c2ccccc12 22646883 VWYJSXRPXSQMOJ-UHFFFAOYSA-N 306.369 3.415 0 40 DGAB COc1ccc([C@H](CNC(C)=O)c2c[nH]c3ccccc23)cc1 23573117 HRAIADYGTQVPIM-KRWDZBQOSA-N 308.381 3.445 0 40 DGAB CCc1cc2c(NCc3c(C)cc(C)[nH]c3=O)ncnc2s1 24059616 IZSLXSZTYZSGAB-UHFFFAOYSA-N 314.414 3.171 0 40 DGAB O=C1CCc2cc(C(=O)Nc3cccc4ncccc34)ccc2N1 24537296 JLPXUUJRJYSSGE-UHFFFAOYSA-N 317.348 3.372 0 40 DGAB Cn1ccc(NC(=O)c2ccccc2CCc2ccccc2)n1 24865135 LQGNGJYTIXEPEY-UHFFFAOYSA-N 305.381 3.458 0 40 DGAB C[C@H]1CCCN(C[C@H](C)NC(=O)c2scnc2C(C)(C)C)C1 106922896 UWKUIZHSLLTDCM-STQMWFEESA-N 323.506 3.291 0 40 DGAB Cc1nc([C@@H](NCc2cc(F)ccc2F)c2ccccc2)n[nH]1 69168853 HYFBJZQWRHUKOE-INIZCTEOSA-N 314.339 3.271 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1 1943664 BUCPGLZOJHMTAT-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)c2ccccc2C(=O)O)cc1 3229985 GAFUVHKMKJLBPP-FMIVXFBMSA-N 311.337 3.070 0 40 DGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)N1CCCC1 10042806 ZQYILTREBSPKLG-UHFFFAOYSA-N 322.412 3.054 0 40 DGAB OCCN(Cc1coc(-c2cccc(Cl)c2)n1)CC1CC1 58196586 ZSUOHGFHQSNNJW-UHFFFAOYSA-N 306.793 3.199 0 40 DGAB Cc1cc(NC[C@H](O)c2ccc(F)cc2)nc(-c2cccnc2)n1 44978686 KMFFOTIEDJRLSU-INIZCTEOSA-N 324.359 3.132 0 40 DGAB O=C(Nc1nc2ccccc2s1)NC1CCN(C2CC2)CC1 10464508 IZRXHHGTGYKVTO-UHFFFAOYSA-N 316.430 3.045 0 40 DGAB COc1cccc(C(=O)N2CCN(c3cccc(C)c3)[C@H](C)C2)c1 3348665 MQTGJJOWJKJTHS-MRXNPFEDSA-N 324.424 3.355 0 40 DGAB Cc1ccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)cc1 12853843 ZKAPKSSWZPLRED-CQSZACIVSA-N 324.380 3.138 0 40 DGAB COC(=O)c1cccc(OCc2cc(C(C)=O)ccc2OC)c1 3443752 OGHYGYQPEDBZOI-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(F)c(F)c1 12975624 VFRJXRRIXAPMPC-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N[C@@H]1CCc2ccccc21 13001898 QMWFOLDFTHDURZ-XJKSGUPXSA-N 310.397 3.299 0 40 DGAB O=C(O)c1c(C(=O)O)c(-c2cccc(Cl)c2)n2c1CCC2 4041226 LRIHSKNOBAGNNP-UHFFFAOYSA-N 305.717 3.151 0 40 DGAB CCOC(=O)c1sc(-c2ccc(OC)c(OC)c2)cc1N 4218234 UMXKBFPCBWUFFY-UHFFFAOYSA-N 307.371 3.191 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OC(F)F 6589045 BCCDDNHZAIACAB-OAHLLOKOSA-N 321.279 3.118 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1COc2ccccc2O1 5512247 LZKJTBDMPXNPRS-AWEZNQCLSA-N 321.279 3.067 0 40 DGAB CCCc1ccc(OCCN2C(=O)c3ccccc3C2=O)cc1 4769691 UPGBRRINTAWZGX-UHFFFAOYSA-N 309.365 3.314 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCCC[C@@H]1Cn1cccn1 69970386 MGGALFJNZLSIQC-OAHLLOKOSA-N 309.369 3.324 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)Cc1ccccc1C 66432480 QMFCKPKLSCSDKV-UHFFFAOYSA-N 317.360 3.341 0 40 DGAB COc1ccc2c(c1)c([C@H](O)CN1CCC(C)CC1)c(C)n2C 4817430 GLDCPCMYANVTJM-GOSISDBHSA-N 316.445 3.261 0 40 DGAB Cc1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1C 67298267 OZKGLGOMBVIUMV-ZZEZOPTASA-N 308.337 3.087 0 40 DGAB C[C@H]1CCc2ccccc2N1CC(=O)NCCc1cccs1 15304183 MSJVFGKWCCYGTG-AWEZNQCLSA-N 314.454 3.248 0 40 DGAB CNC(=O)c1cccc(NC(=O)N[C@H](C)c2cc(C)oc2C)c1 67663077 BDKVXDJRVGPVJT-LLVKDONJSA-N 315.373 3.139 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(=O)[nH]c2ccccc12 16022862 ODWBCIPUNDMQTC-GFCCVEGCSA-N 304.349 3.120 0 40 DGAB CC[C@H](O)CN1CCN(c2ccc(C3CCCC3)cc2)CC1 19802307 VNIWYEKFNDXMBT-IBGZPJMESA-N 302.462 3.237 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCCc1ccsc1)c1cccs1 90607329 VFHGYLUMOVCNAC-GFCCVEGCSA-N 323.439 3.117 0 40 DGAB Cc1cc(C(=O)Nc2cc(Br)ccc2O)ccc1N 94573556 QPFGFUNDNVKGEI-UHFFFAOYSA-N 321.174 3.298 0 40 DGAB Cc1ccc2cccc(NC(=O)N3CC[C@@H](N4CCCC4)C3)c2n1 72285088 NJLZWRZCCALRNI-MRXNPFEDSA-N 324.428 3.245 0 40 DGAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@H]1CCCc3ccccc31)C2 72271697 GJWPFTWMWYLXCX-SJORKVTESA-N 323.440 3.133 0 40 DGAB C[C@@H](NCc1nc(C2CC2)no1)c1ncc(-c2ccccc2)o1 97112302 JAXZLDQVBXUFKK-LLVKDONJSA-N 310.357 3.453 0 40 DGAB CCS(=O)(=O)CCCN1CCCC2(CCCCCC2)C1 75968203 JNJKSDAWTFAEIF-UHFFFAOYSA-N 301.496 3.248 0 40 DGAB Cc1nn(-c2ccc(NC(=O)c3ccco3)cn2)c(C)c1Cl 72406383 PZGYVTDFBXNQKR-UHFFFAOYSA-N 316.748 3.383 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2cc(F)ccc2[C@@H]1C 97372354 HOSLTJLMYDNDLC-GWCFXTLKSA-N 315.392 3.415 0 40 DGAB O=C(N[C@@H]1CCCc2occc21)c1cncn1-c1ccccc1 84576756 KDXSBKVKFTWMNE-OAHLLOKOSA-N 307.353 3.273 0 40 DGAB CCOC[C@H](C)NCC1(c2cccc(Cl)c2)CCOCC1 95420759 NLJKBCYQQSMFOM-AWEZNQCLSA-N 311.853 3.403 0 40 DGAB O=C(Cc1ccn[nH]1)N(CCc1cccc(F)c1)C1CCCC1 95410747 GRMLTWSDUHBOGX-UHFFFAOYSA-N 315.392 3.105 0 40 DGAB Cc1nn(C)c(Cl)c1CSCC(=O)N1CCCC[C@@H]1C 78991002 KFRCGWCWHNVEDV-JTQLQIEISA-N 315.870 3.016 0 40 DGAB Cc1ccc(F)cc1NC(=O)N1CCc2c(ncn2C2CC2)C1 95942374 LJMYGWXLZIAIDC-UHFFFAOYSA-N 314.364 3.256 0 40 DGAB C[C@H](c1cccnc1)N(C)Cc1nnc(-c2cccs2)o1 95977300 LSXQXDIUXQXXSJ-LLVKDONJSA-N 300.387 3.386 0 40 DGAB Cc1cnc2c(c1)N(C(=O)c1cccc3ccc(C)nc13)CCO2 95985582 KOFAWZQXKXRSMF-UHFFFAOYSA-N 319.364 3.286 0 40 DGAB CC[C@@H](C)OCc1nn(C(C)C)cc1I 408717146 WFRRTVKZVWJUFR-SECBINFHSA-N 322.190 3.384 0 40 DGAB CSCc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@H](C)CO)c1 77715094 QMOMBKLQLXUYAZ-ZJUUUORDSA-N 316.854 3.341 0 40 DGAB O[C@@]1([C@]2(O)C[C@@H]3CC[C@H]4CC[C@H]2[C@H]43)C[C@@H]2CC[C@H]3CC[C@H]1[C@H]32 71785675 RWAAWFINOVJONO-VQTDDTLASA-N 302.458 3.361 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2C=CCCC2)o1 129838213 BVGRBPQNWHFNDJ-HIFRSBDPSA-N 304.390 3.381 0 40 DGAB CCc1ccc(OS(=O)(=O)c2cc(OC)ccc2OC)cc1 32602203 OGGFQDUYNBHAOH-UHFFFAOYSA-N 322.382 3.034 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 72227655 PCHIHNKCUXGBPI-KBPBESRZSA-N 324.277 3.260 0 40 DGAB c1ccc([C@@H](Cn2cncn2)Nc2nc3ccccc3o2)cc1 78334170 QGKMUDVKLGBBRD-OAHLLOKOSA-N 305.341 3.273 0 40 DGAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 134208198 LAHCLOUUUWQOSI-AWEZNQCLSA-N 306.425 3.198 0 40 DGAB Cc1nc(-c2nnsc2C(=O)OC2CCCCCC2)co1 223858996 UIYRWPBTGFDTCA-UHFFFAOYSA-N 307.375 3.381 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N(CCO)Cc1ccccc1 12799026 OFDJJFDRYZKLKK-UHFFFAOYSA-N 304.777 3.366 0 40 DGAB O=C(c1cccc2ncccc12)N1CCNC[C@H]1c1ccccc1 325452228 XZAYNAJFCNSRDQ-IBGZPJMESA-N 317.392 3.022 0 40 DGAB Cc1csc(CCCC(=O)N[C@H](C(C)C)C2(CO)CCC2)n1 572325534 HXCHWAJPBSDRSI-MRXNPFEDSA-N 324.490 3.078 0 40 DGAB O=S(=O)(c1ccccc1)N1CCC(c2cccs2)CC1 75157062 HUWQLWYIJZZHNE-UHFFFAOYSA-N 307.440 3.316 0 40 DGAB CCCN(Cc1nnc(C2CC2)o1)[C@H]1C[C@H](OCC)C1(C)C 96420075 JDOZCPLEYWKYGK-KBPBESRZSA-N 307.438 3.363 0 40 DGAB O=C(CSCc1csc(Br)c1)NC1CC1 96402821 HBPMGSBBVUJHGY-UHFFFAOYSA-N 306.250 3.022 0 40 DGAB CC(C)(C)c1cc(Br)cc([C@H](N)CC(=O)O)c1 142171591 MJBMLDJCRPGHLX-LLVKDONJSA-N 300.196 3.221 0 40 DGAB O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)cn1 93469248 OOQQMKFXNFEJAQ-TZMCWYRMSA-N 306.793 3.099 0 40 DGAB CCC[C@@H](NC(=O)NC[C@H](O)c1cccs1)c1ccccn1 96415451 YPNTWTYVFYBCLQ-KGLIPLIRSA-N 319.430 3.017 0 40 DGAB Cc1ccc(C(=O)N2CCC(Cc3ccnc(C)c3)CC2)cn1 257316953 VHRVEKBFOWFEDW-UHFFFAOYSA-N 309.413 3.188 0 40 DGAB Cc1ccncc1CCCN1CCCc2c(NC(N)=O)cccc21 585084386 MPRDXSZQWFMYAB-UHFFFAOYSA-N 324.428 3.266 0 40 DGAB CC1(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@@H]32)CC1 585091459 ZFISZAHRDBUTJL-XWSJACJDSA-N 324.468 3.156 0 40 DGAB C[C@H](C[C@@H](C)SC1CCCC1)N[C@@H]1CCc2ncnn2C1 585135077 WOGFOGIGIULZOD-MGPQQGTHSA-N 308.495 3.025 0 40 DGAB COCc1c(C(=O)NCC(F)(F)F)sc2ccccc12 69537488 SDPWDTWGHKZZJB-UHFFFAOYSA-N 303.305 3.340 0 40 DGAB Cc1cc2sc(NC(=O)COCC(F)(F)F)nc2s1 81634598 VRPPASYSUYMESD-UHFFFAOYSA-N 310.322 3.184 0 40 DGAB CC[C@@H](C)NC(=O)c1cc2cc(Br)ccc2oc1=O 5655253 FXFUSNUHNSVOEN-MRVPVSSYSA-N 324.174 3.084 0 40 DGAB COc1ccc2cc(C(=O)Nc3ccc(F)cc3)c(=O)oc2c1 5527388 WYIFDNBZESNODC-UHFFFAOYSA-N 313.284 3.193 0 40 DGAB O=C1CS[C@H](c2c(F)cccc2Cl)N1c1nncs1 5554113 QGAKZNGOKIQRDC-SNVBAGLBSA-N 315.782 3.109 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)NCCCc1ccccc1 13669997 WFOBKDJNGSEOIO-UHFFFAOYSA-N 323.845 3.392 0 40 DGAB Cc1ccccc1N1C[C@](O)(c2cccs2)[N+]2=C1CCCC2 15962234 SCHHEGRCDHMWSB-SFHVURJKSA-N 313.446 3.317 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccccc2F)c1 19598585 SLNNKGHZAQYRGL-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB COc1ccc2ccc(C(=O)N3CC[C@H](OC(F)F)C3)cc2c1 516100421 PINZYEYSIGKIFU-HNNXBMFYSA-N 321.323 3.302 0 40 DGAB CC(C)(C)n1cc2c(n1)[C@H]1CN(C(=O)C3CCCCC3)C[C@H]1C2 19084854 BAUOQSFVZPJDQX-ZBFHGGJFSA-N 315.461 3.317 0 40 DGAB Cc1cccc(C(=N)NC(=O)c2cc(Cl)cnc2Cl)c1 33381065 KKJZKWGGIMEXPB-UHFFFAOYSA-N 308.168 3.452 0 40 DGAB Cc1cn2nc(C(=O)Nc3nc4c(C)cccc4s3)ccc2n1 1889015947 VSSVAZMADUAUFB-UHFFFAOYSA-N 323.381 3.208 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)NCc1ccccc1Cl 25365578 GSHIZTMETPOPIR-UHFFFAOYSA-N 313.781 3.099 0 40 DGAB O=C(Nc1nnc(-c2ccco2)o1)c1ccc2c(c1)CCCC2 4107294 QCQHUXZCBNWYRL-UHFFFAOYSA-N 309.325 3.461 0 40 DGAB CCOc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 4330395 QGWFPZUYBXWIQY-UHFFFAOYSA-N 315.354 3.449 0 40 DGAB Cc1cnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)nc1 664252054 HAYJRDSUCXFFHC-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB C[C@@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccncc1 26187708 OONHHINNVHFJKX-LLVKDONJSA-N 321.327 3.243 0 40 DGAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 519393 SCKWFJBWUFTIAS-WIOUJZMWSA-N 316.397 3.314 0 40 DGAB biogenic C[C@@H](CNC(=O)Cc1cccc(F)c1)N(C)c1ccccc1 40108035 BZSKWYMHHDOJDN-AWEZNQCLSA-N 300.377 3.009 0 40 DGAB COc1cccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)c1OC 430143 UHBJVPXATSSKMC-RVDMUPIBSA-N 323.348 3.357 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)Nc1ccccc1C(N)=O 1741528 ONLDUWOCUOCTCG-UHFFFAOYSA-N 303.749 3.391 0 40 DGAB CCC[C@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912280 CUDATLCKNUUVIF-NSHDSACASA-N 324.178 3.058 0 40 DGAB CCCc1ccc(C(=O)[C@H](C)Sc2nnc(N)s2)cc1 2623674 JSLYAOLLIYLLTQ-VIFPVBQESA-N 307.444 3.436 0 40 DGAB N=c1sc2c(n1CC(=O)c1ccc(Cl)cc1)CCCC2 4109942 HMUHICPLULCXOV-UHFFFAOYSA-N 306.818 3.444 0 40 DGAB Cc1ccccc1C(=O)Nc1cc2c3c(c1)CCN3C(=O)CC2 5153346 UATQXHTYDFAHFB-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB Cc1ccc(NC(=O)CSc2nncn2C(C)C)cc1F 5416778 WOZBWXCFQXJWJV-UHFFFAOYSA-N 308.382 3.037 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)[C@H]1COc2ccccc2O1 5512246 LZKJTBDMPXNPRS-CQSZACIVSA-N 321.279 3.067 0 40 DGAB Cc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 5854119 XEDRCISCEGGYIF-UHFFFAOYSA-N 307.353 3.117 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccnn1C(C)C 5967100 SLWANFSRDUDBHC-LLVKDONJSA-N 321.402 3.018 0 40 DGAB Cc1nc(-c2cccc(NC(=O)[C@@H]3CCCN(C)C3)c2)oc1C 6500434 OTWIXRCVXOCPEA-OAHLLOKOSA-N 313.401 3.239 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1F)S[C@H](C)C(=O)N2 6678415 PWYYIEDTIDDNJU-JMCQJSRRSA-N 309.341 3.160 0 40 DGAB CCCc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 6891247 WZKBTNVVFFZMCN-XYJFISCASA-N 305.462 3.357 0 40 DGAB CN(CC(=O)Nc1cccnc1Cl)Cc1ccccc1Cl 7606482 PHMZWKSTWBQZBO-UHFFFAOYSA-N 324.211 3.459 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@H](C)N1CCCCC1 8119002 BXXDYTPGTSBLBJ-LBPRGKRZSA-N 310.825 3.470 0 40 DGAB O=c1cc(CN2CCC[C@H]2c2cccs2)nc2sccn12 8315974 DSAGKZHKVPRBDL-LBPRGKRZSA-N 317.439 3.155 0 40 DGAB COc1ccc([C@H](NC(=O)CN2CCCC[C@@H]2C)C(C)C)cc1 10053440 JLOVKSUFLAXQEE-HNAYVOBHSA-N 318.461 3.383 0 40 DGAB NC(=O)[C@@H](OC(=O)c1cccc2ccccc12)c1ccccc1 11238578 KANRGUBUFKUCKW-KRWDZBQOSA-N 305.333 3.223 0 40 DGAB O=C1NCCCC[C@@H]1Sc1nc(C2CC2)nc2ccccc12 11657272 BGIYSQSKDMQHFG-AWEZNQCLSA-N 313.426 3.268 0 40 DGAB CC[C@H](OC(=O)c1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1 12600770 WEJGAABJDFYWNT-AWEZNQCLSA-N 316.357 3.174 0 40 DGAB COc1ccc(-c2cc(CNC(=O)C3CCCC3)no2)cc1 12637637 RIQVTLSMPMCITI-UHFFFAOYSA-N 300.358 3.157 0 40 DGAB CC(C)CNC(=O)C[S@](=O)Cc1ccc(Cl)cc1Cl 13009944 MTVZFYYNUJBKMM-IBGZPJMESA-N 322.257 3.014 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccccc1Cl 13169813 KQDBAFYTKIVDLY-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(O)C[C@H](NC(=O)/C=C/c1ccccc1F)c1cccs1 13388080 WQOPBENYWXMVLE-GWJCSSMESA-N 319.357 3.233 0 40 DGAB O=C(COc1ccc(C(=O)O)cc1)Nc1ccccc1Cl 13412157 MIUHKLHLSZFFAO-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB C[C@@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 14898278 PMOUHFYLLPSJKD-PBHICJAKSA-N 322.408 3.455 0 40 DGAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC1 22518029 NRNOHBAAIHDXKG-QGZVFWFLSA-N 318.461 3.063 0 40 DGAB Cc1cc(C)nc(NC[C@H](c2ccccc2Cl)N(C)C)n1 24053995 QPWHCWHWZOMFDQ-OAHLLOKOSA-N 304.825 3.462 0 40 DGAB Cc1ccc(OC[C@@H](O)Cn2cnc3cc(F)c(F)cc32)cc1 25256341 HMGXZLBUGVXKHV-LBPRGKRZSA-N 318.323 3.063 0 40 DGAB C[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H](C)O1 25411253 CSEFGRIRMNGPOG-VXGBXAGGSA-N 311.809 3.111 0 40 DGAB O=C(O)c1cn(Cc2ccccc2)nc1OCc1ccccc1 26189582 RFPMWAJGPAWPSM-UHFFFAOYSA-N 308.337 3.209 0 40 DGAB CC(C)CNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 26522486 ZRHXVFFDJHLEFF-GOSISDBHSA-N 324.424 3.320 0 40 DGAB Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(C)c3)on2)s1 27582523 OQGDWXPMKUERHJ-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB COc1ncccc1CNC(=O)c1cc2c(s1)CCCCC2 30305960 HXEPSJWXVVQUKR-UHFFFAOYSA-N 316.426 3.351 0 40 DGAB Cc1nc(CCNC(=O)CSc2ccccc2C)cs1 30990320 XMXMDSIIBVITSY-UHFFFAOYSA-N 306.456 3.211 0 40 DGAB C[C@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 32721608 BFQXGNCFXKFQOF-NSHDSACASA-N 322.357 3.147 0 40 DGAB CC(C)c1nnc2n1N1C(=CS[C@H]1c1cccnc1)S2 36080046 ZPLYOIBHOWTREV-LBPRGKRZSA-N 303.416 3.085 0 40 DGAB CCc1nc(NC(=O)COc2ccccc2OC)sc1C 40118977 QFUMUWCDVCDFJA-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB Cc1ccccc1-n1c(=S)[nH]c2cc3c(cc2c1=O)OCO3 40478799 YSJGVFZHQOWWRY-UHFFFAOYSA-N 312.350 3.085 0 40 DGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)N(C)C)c12 40553394 ZNMUNJDBHQSLPC-UHFFFAOYSA-N 300.406 3.074 0 40 DGAB CNc1ccccc1C(=O)N(CCOC)Cc1cccs1 42032542 GSHJZNROUPCDKV-UHFFFAOYSA-N 304.415 3.079 0 40 DGAB O=C(NCCCn1ccnc1)Nc1cc(Cl)cc(Cl)c1 43177019 INHWRCQJPBHASE-UHFFFAOYSA-N 313.188 3.402 0 40 DGAB CN(C)c1ccccc1NC(=O)NCCCOCc1ccco1 44081769 MJRLOCPZDLRQIP-UHFFFAOYSA-N 317.389 3.074 0 40 DGAB O=C(O)c1ccc(C2CCN(C(=O)C3CCCC3)CC2)cc1 45795904 NVPXJYRUHHQCCH-UHFFFAOYSA-N 301.386 3.281 0 40 DGAB COc1ccccc1Nc1ncccc1C(=O)NCc1ccoc1 48253835 CIKYMFIRWSOIOX-UHFFFAOYSA-N 323.352 3.357 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2csc(C)n2)cc1F 48286902 DAGAJQQXDBPVGM-FNORWQNLSA-N 320.389 3.271 0 40 DGAB COc1ncccc1NC(=O)N[C@@H]1CCSc2ccccc21 48414138 ZECPTDBVDVJIHE-GFCCVEGCSA-N 315.398 3.449 0 40 DGAB COC(=O)c1ccc(C(=O)N(C2CC2)[C@H](C)c2ccco2)cc1 56181972 RZJDVUCCWKJLAB-GFCCVEGCSA-N 313.353 3.432 0 40 DGAB Cc1ccc(C)c2c(C)c(C(=O)NCC(C)(C)N(C)C)oc12 56388541 ANLOJKGLNSYNFZ-UHFFFAOYSA-N 302.418 3.428 0 40 DGAB CCCCNC(=O)Nc1ccc(-c2cnc(CN(C)C)o2)cc1 57355775 UGNNCOORJOTJLJ-UHFFFAOYSA-N 316.405 3.325 0 40 DGAB O=C(CC[S@@](=O)Cc1ccccc1)Nc1ccc(F)cc1 58098637 GTTVAXPCOFAWMY-NRFANRHFSA-N 305.374 3.103 0 40 DGAB C/C=C/C=C/C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 65586951 GNGVIXBHIMAUCU-KXGOJYIESA-N 301.321 3.185 0 40 DGAB O=C1c2ccccc2-c2c(N3CCOCC3)[nH]c3cccc1c23 66091785 LHGPEDHMUONUGU-UHFFFAOYSA-N 304.349 3.216 0 40 DGAB NC(=O)[C@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 66391496 WYHCEYAQKMWUCU-JKSUJKDBSA-N 300.789 3.144 0 40 DGAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@@H]1Cc1ccccc1 69899940 YKVPDYIYBWXHQA-MJGOQNOKSA-N 307.393 3.224 0 40 DGAB C[C@@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]1Cn1cccn1 69967041 KQXTZNDADGXIOW-GOEBONIOSA-N 323.400 3.159 0 40 DGAB CC(C)(C)c1csc(CCNC(=O)Cc2cccs2)n1 71847824 YAXKOLNHKXLSTE-UHFFFAOYSA-N 308.472 3.404 0 40 DGAB CCOCCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909303 WWHZIDZZEVRKEK-INIZCTEOSA-N 318.461 3.145 0 40 DGAB C[C@@](O)(CNC(=O)C1CC1)C(c1ccccc1)c1ccccc1 72289979 IKXIDBLJKCHPIO-HXUWFJFHSA-N 309.409 3.096 0 40 DGAB O=C(Nc1cccnc1-n1cc(Cl)cn1)c1ccsc1 72404525 NZQVPJSNNQMZAG-UHFFFAOYSA-N 304.762 3.235 0 40 DGAB Cc1nnc(-c2ccccc2NC(=O)CC[C@@H]2CC[C@H](C)O2)o1 74244418 XZYVZEBSUMEPDC-AAEUAGOBSA-N 315.373 3.331 0 40 DGAB CCSC1(CNC(=O)c2c(C)cccc2C)CCOCC1 74958306 KXOFMFZBFSTOGC-UHFFFAOYSA-N 307.459 3.336 0 40 DGAB O=C(Nc1ccnn1Cc1ccsc1)c1cccc2cn[nH]c12 75126500 HFULCIHZAQHRFO-UHFFFAOYSA-N 323.381 3.122 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)N[C@H](C(C)(C)C)C(F)(F)F 75148383 AAHVAIZEJDXTJM-LLVKDONJSA-N 324.387 3.022 0 40 DGAB CC[C@H](C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 79096230 KRVYJGXYRVSZTE-JKSUJKDBSA-N 318.461 3.049 0 40 DGAB O=C1CCc2ccc(NC(=O)N3CCC[C@@H]4CCC[C@@H]43)cc2N1 86299666 IWYLIPYHHBAVCK-BBRMVZONSA-N 313.401 3.368 0 40 DGAB CCc1ncsc1NC(=O)N[C@H](C)[C@H]1COc2ccccc21 89282682 ATPGMIGLBOBTHQ-ZYHUDNBSSA-N 317.414 3.392 0 40 DGAB COc1cccc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)c1 89470239 BETJUJYZSITONE-HNNXBMFYSA-N 300.362 3.177 0 40 DGAB COC(=O)[C@@H](C)[C@H](NCc1sc(C)nc1C)c1ccccc1 89559222 CJRQHRBXQDSJKE-ZBEGNZNMSA-N 318.442 3.400 0 40 DGAB CC(C)[C@H](NC(=O)[C@H](C)Sc1ccccn1)c1ccccn1 89801812 ZIVKPKIPUZOIBN-BBRMVZONSA-N 315.442 3.471 0 40 DGAB CCOCCCn1c(CCC(=O)O)nc2cc(Cl)ccc21 95095640 OZNHSNCRLGVSNQ-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB Fc1cc2ncnc(N3CCC[C@H](c4ncc[nH]4)C3)c2cc1F 95961971 DWGXOOMKDGBHJO-JTQLQIEISA-N 315.327 3.015 0 40 DGAB C[C@H](CSC1=Nc2ccccc2CS1)CS(C)(=O)=O 95965153 LFDPCHBESXFQRW-SNVBAGLBSA-N 315.485 3.335 0 40 DGAB Cc1cccc2c1[C@H](C)C[C@H]2NCCc1nnc2ccccn12 95982149 UGUQAWRNSVXFFL-GDBMZVCRSA-N 306.413 3.418 0 40 DGAB CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccoc1)CC2 96061327 XOCHWHAGVJHKSK-GOSISDBHSA-N 324.424 3.260 0 40 DGAB COc1ccc([C@@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 96223267 WNFDUPIAZUPMDD-NSHDSACASA-N 311.366 3.174 0 40 DGAB Cc1nc(C[S@@](=O)Cc2ccc(-n3cccn3)cc2)cs1 96404396 KJYKKMVKUZRNMY-OAQYLSRUSA-N 317.439 3.086 0 40 DGAB CC[C@@H](NC(=O)Nc1cccc(Cl)c1OC)c1noc(C)n1 96445915 IRGJEBVKXSXUDA-SNVBAGLBSA-N 324.768 3.313 0 40 DGAB Clc1ccc(N2CCC(OC[C@@H]3CCCCO3)CC2)nc1 96455888 OKVLIJYEBXMYFB-HNNXBMFYSA-N 310.825 3.290 0 40 DGAB O=C(O)[C@@H]1CCC(=O)N(CC2CCCC2)[C@@H]1c1ccccc1 96515685 COANTQJOBMJGGR-NVXWUHKLSA-N 301.386 3.241 0 40 DGAB C[C@H](NCc1noc2c1CCCC2)c1ccc2c(c1)OCCO2 97033008 QUOMJZWUVWEVFV-LBPRGKRZSA-N 314.385 3.175 0 40 DGAB O[C@H]1CCCC[C@H]1CCCNc1nnc(C(F)(F)F)s1 97099692 DPBLDDRGVUDWHK-IUCAKERBSA-N 309.357 3.300 0 40 DGAB O=C(CC1CCC(C(F)(F)F)CC1)NCCc1ccc[nH]1 97371122 ITPCUQWXOFLNBU-UHFFFAOYSA-N 302.340 3.432 0 40 DGAB Cc1nc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)sc1C 100175318 ANWJVHXPSHGFCI-HZPDHXFCSA-N 306.431 3.484 0 40 DGAB Fc1ccc(NC(=S)NC2C[C@H]3CC[C@H](C2)N3C2CC2)cc1 100422899 GLRBSMHCJKBRGT-HZPDHXFCSA-N 319.449 3.270 0 40 DGAB COc1cccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 101275291 VPMRPRHLVRKZNV-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB CCOc1ccc(CNC(=O)COc2ccccc2Cl)cc1 218848842 PRHNUCQFOGHAIZ-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB CCC(C)(C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223909056 DLCULSIWEUPRRX-UHFFFAOYSA-N 311.447 3.041 0 40 DGAB CCCCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c(C)n1 225891618 IUKASUOCKFNXPK-KRWDZBQOSA-N 306.406 3.323 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@@H](C)Oc1ccn(-c2ccccc2)n1 226852888 VBJBCAKYLQHYEK-LSDHHAIUSA-N 313.401 3.041 0 40 DGAB CCCOc1c(Br)cc(CO)cc1Br 233248999 JTPSSBUCXRVTGP-UHFFFAOYSA-N 324.012 3.493 0 40 DGAB CCCCNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 243669217 PCZBAIGYTZTJEO-UHFFFAOYSA-N 322.714 3.214 0 40 DGAB Cc1cccc(OC(F)F)c1NC(=O)NCc1ccccn1 390834099 RVBWQDGXDSZOLT-UHFFFAOYSA-N 307.300 3.313 0 40 DGAB O=C(c1ccc2snnc2c1)N1CC[C@@H](c2ccccc2)C1 408993416 CQGRQOZBNNOBGA-CQSZACIVSA-N 309.394 3.321 0 40 DGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@@H](C)c1ccccc1 408998465 MANMZMFSNXDZDC-KBPBESRZSA-N 312.369 3.041 0 40 DGAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1ncc[nH]1 524735025 OPPQJGCGKWOZFG-AWEZNQCLSA-N 314.776 3.483 0 40 DGAB Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)cnn1 568515683 BRTPEIUGTHSQBI-GOSISDBHSA-N 313.376 3.162 0 40 DGAB Brc1ccc(-c2ncn([C@@H]3CCCCO3)n2)cc1 642882910 PICQHMDVYDMUET-LBPRGKRZSA-N 308.179 3.407 0 40 DGAB CCn1nncc1C(=O)N1CCCC[C@H]1c1cccc(Cl)c1 646071530 LUDOFUSZVIKGJH-AWEZNQCLSA-N 318.808 3.319 0 40 DGAB COC(=O)CSc1ncnc2c(Cl)cc(Cl)cc12 1554502595 RPFZECRGPSSJSI-UHFFFAOYSA-N 303.170 3.202 0 40 DGAB Cn1cnc2c(NCc3ccc(-c4ccoc4)cc3)ncnc21 1775971283 MGVGXEBALBDFQY-UHFFFAOYSA-N 305.341 3.235 0 40 DGAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)o1 3249903 GKTOPKOFHOFTFU-LLVKDONJSA-N 313.353 3.031 0 40 DGAB CS(=O)(=O)c1ccc(C(=O)CSc2ccccc2F)cc1 43275041 GPDBZLHAXBETIY-UHFFFAOYSA-N 324.398 3.204 0 40 DGAB COC(=O)CCCN(C)C(=O)c1oc2ccc(Cl)cc2c1C 55439343 ZCGSCGNKHABUKT-UHFFFAOYSA-N 323.776 3.420 0 40 DGAB CN(C)C(=O)[C@H](Sc1nccn1C1CC1)c1ccccc1 12647001 NNDZSPZXFRFFKF-CQSZACIVSA-N 301.415 3.140 0 40 DGAB C[C@H](CNC(=O)CC[C@@H]1CCCO1)c1nc2ccccc2s1 78714107 GNWIMKKXAKNHQY-OLZOCXBDSA-N 318.442 3.475 0 40 DGAB O=C(OCCSC(=S)N1CCCCC1)c1ccccc1 1593095 SIBQUBXIRJQDAM-UHFFFAOYSA-N 309.456 3.347 0 40 DGAB C[C@H]([C@@H](O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 1639153 USWUWAGJWLNXBZ-VXNVDRBHSA-N 302.214 3.212 0 40 DGAB CC(C)c1nnc(NC(=O)N2CCC[C@H]2c2ccncc2)s1 43696871 OOJQUXCQXYYJFI-LBPRGKRZSA-N 317.418 3.426 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N(Cc1cccnc1)C[C@@H]1CCCO1 107492269 NABGTNQIOFZUJR-LEUOFYLZSA-N 314.429 3.025 0 40 DGAB O=C(OCc1cc(-c2ccco2)on1)c1n[nH]c2ccccc12 8153218 COHNSDJPSKEQQI-UHFFFAOYSA-N 309.281 3.168 0 40 DGAB CC(C)NC(=O)CSCc1ccccc1Br 58165024 FWHWLIZSSSJSNW-UHFFFAOYSA-N 302.237 3.207 0 40 DGAB C[C@H](Nc1ncnc2[nH]cnc12)c1ccccc1OC(F)F 58172042 RDPVXXWXWBQTSR-QMMMGPOBSA-N 305.288 3.127 0 40 DGAB Cc1nc(C)c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)s1 44869243 VSTGCLQDDXRNGF-SECBINFHSA-N 300.387 3.127 0 40 DGAB Cc1cccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1C 58283128 NJPPIEAHHPXZQE-UHFFFAOYSA-N 316.445 3.070 0 40 DGAB Cc1noc(C)c1NC(=O)/C=C/c1cnn(-c2ccccc2)c1 58283160 BYGPXUIUUKSHMQ-CMDGGOBGSA-N 308.341 3.129 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2cc3cc(Cl)ccc3o2)n1 58246276 MXOGUVRXHKYKQW-ZETCQYMHSA-N 305.721 3.269 0 40 DGAB Cc1nc(C)c(C(=O)N(C)c2ccccc2C(=O)OC(C)C)o1 95407158 UVJZJBJVTQESHI-UHFFFAOYSA-N 316.357 3.133 0 40 DGAB CCc1cc2c(=O)n(CC(=O)c3ccc(C)s3)cnc2s1 24174741 WSURTDORUSGOFD-UHFFFAOYSA-N 318.423 3.273 0 40 DGAB NC(=O)c1ccccc1NC(=O)CCCc1c[nH]c2ccccc12 12898325 BGZFEOPKGHRIFF-UHFFFAOYSA-N 321.380 3.228 0 40 DGAB biogenic COc1ccc(C(=O)N(C)Cc2c(F)cccc2Cl)c(O)c1 23528616 SXTXQORPVMWIAH-UHFFFAOYSA-N 323.751 3.466 0 40 DGAB COc1ccc(NC[C@H]2CC=CCC2)cc1N1CCOC1=O 95434068 ICWUFPJXCIKVRV-ZDUSSCGKSA-N 302.374 3.420 0 40 DGAB CCCOc1ccc(CN2Cc3ccccc3OCC2=O)cc1 65184338 HXAPHRFWMIHSNQ-UHFFFAOYSA-N 311.381 3.397 0 40 DGAB COc1ccc(CNCCc2ccccc2F)c(OC)c1OC 22074692 JSDSZGCQZLUNIQ-UHFFFAOYSA-N 319.376 3.184 0 40 DGAB CCN(Cc1cccc2c1OCCO2)C(=O)CCc1ccco1 65513200 BTAQRDJOCULLQC-UHFFFAOYSA-N 315.369 3.032 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)c3c(C)oc(C)c3C)ccc21 14185294 SNVOKHIBEXMUQZ-UHFFFAOYSA-N 312.369 3.366 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)N(C(C)C)C1CCOCC1 96451141 HMZHELSTBHVNFG-MRXNPFEDSA-N 323.408 3.399 0 40 DGAB CCN(CC)c1ccc(-c2nnc(SC(C)C)n2N)cc1 5687572 IBKSJDPWKOHGCM-UHFFFAOYSA-N 305.451 3.006 0 40 DGAB NC(=O)c1ccccc1OCc1cc(-c2cccs2)on1 14704665 RJXBPOGOEBZQQA-UHFFFAOYSA-N 300.339 3.081 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)Cc1cccs1 5786487 BQUZMJFXCUAWFS-UHFFFAOYSA-N 317.410 3.343 0 40 DGAB Cc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C 7309605 HWTFPJCFXNNVRB-HNNXBMFYSA-N 303.427 3.385 0 40 DGAB COc1cc(CNC(=O)N(C)[C@@H](C)C2CC2)c2ccccc2n1 80494564 HTJQNQLEZXQCGR-LBPRGKRZSA-N 313.401 3.183 0 40 DGAB O=C(Cc1cccc2ccccc12)NCc1cn2ccccc2n1 7798795 OIMJNYKVURXVNT-UHFFFAOYSA-N 315.376 3.346 0 40 DGAB O=C1N[C@H](c2cc(Br)ccc2F)Nc2ccccc21 9616519 YIJDZFZRAYCIQH-CYBMUJFWSA-N 321.149 3.442 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 68934776 MYJBPCWSRDODJT-NSHDSACASA-N 310.357 3.173 0 40 DGAB CCOCCC(=O)Nc1nnc(CSc2ccccc2)s1 9698663 UPAKIUVPGDNNDI-UHFFFAOYSA-N 323.443 3.196 0 40 DGAB CSc1ccccc1NC(=O)CN(C)C(=O)c1ccc(C)o1 8292708 DJHOYOSFLBJMMN-UHFFFAOYSA-N 318.398 3.021 0 40 DGAB C[C@H](CCc1ccccc1)CC(=O)N1CCC(CN(C)C)CC1 69841919 VSBSIHZODIHLTO-QGZVFWFLSA-N 316.489 3.446 0 40 DGAB Cc1cccc(C)c1NCC(=O)N[C@](C)(CO)C1CCCCC1 95942059 CVCYDNBCKXGKCF-LJQANCHMSA-N 318.461 3.163 0 40 DGAB CCOc1ccccc1NC(=O)Cc1ccc(NC(C)=O)cc1 9054370 QXSGDBMCEPUQJW-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB Cc1ccc([C@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)s1 97017342 KKVDOIGYEGFFOO-ZFWWWQNUSA-N 306.475 3.498 0 40 DGAB CC[C@H](NC(=O)N1CCC[C@@H]2CN(C)CC[C@@H]21)c1cccs1 97049225 KXKHZAAAJIBRJR-ILXRZTDVSA-N 321.490 3.325 0 40 DGAB COc1ccc([S@](=O)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 97001660 WBAWLCZJJVFRJP-CWKPULSASA-N 308.403 3.245 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C)C2CCN(C)CC2)c(Cl)c1 97232360 LALIPIGEYYIYEO-NSHDSACASA-N 309.841 3.441 0 40 DGAB Cn1cc(-c2csc(N[C@H]3CCOc4ccccc43)n2)cn1 89756596 VTEPCYDFENYBRE-ZDUSSCGKSA-N 312.398 3.479 0 40 DGAB O=C(NCCCn1ccnc1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 89878736 PDJFUEDSJUUHGP-RTBURBONSA-N 319.408 3.346 0 40 DGAB Cc1cccc(OCCNC(=O)COc2cc(C)cc(C)c2)c1 21769598 BNJMXTLCLDOHLH-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCC[C@@H](C(=O)NC3CC3)C2)s1 75417571 LWWQYOMRHRYXAD-YPMHNXCESA-N 321.446 3.015 0 40 DGAB CC(C)c1cc(CNC(=O)N2CCS[C@@H](C(C)C)C2)on1 76088122 RWPBNNBIRVWHTM-CQSZACIVSA-N 311.451 3.081 0 40 DGAB CC[C@H](CO)NC(=O)Nc1cc(F)ccc1SCC(F)F 76070753 VLLMJFSDMFMXEB-SECBINFHSA-N 322.352 3.075 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc(C)c(F)c1)C2 65184488 IGRQZHDAZTYEOH-UHFFFAOYSA-N 301.317 3.068 0 40 DGAB C[C@@H](NC(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 20459388 HKFYDTJPOJSXDR-OAHLLOKOSA-N 322.408 3.300 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc(Cl)cc1 20457849 NPIMXQYNHPVHJK-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB CCn1cc(C(=O)Nc2ccc(Br)cc2F)cn1 27938093 YHRQSCPTRJGWSG-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB COc1ccccc1NC(=O)/C=C/c1c(OC)cccc1OC 409241679 LMHVNZMWDWKXAR-VAWYXSNFSA-N 313.353 3.364 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccccc1Cl 409377878 LWINRDVJXKUSAO-UOVKNHIHSA-N 301.773 3.037 0 40 DGAB COCCNC(=O)Nc1cccc(COC2CCCCC2)c1 79116918 NACXRCRKGLUATN-UHFFFAOYSA-N 306.406 3.304 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)c1nc2ccccc2s1 70635645 CBYZEYCVVBWLDA-LLVKDONJSA-N 318.423 3.130 0 40 DGAB CN(C)c1cc(NC(=O)COc2ccccc2)c(Cl)cc1N 72229595 TVFSWECONQSAFY-UHFFFAOYSA-N 319.792 3.006 0 40 DGAB COc1cccc2c(N3CCC(c4cc[nH]n4)CC3)nccc12 566837186 GPEAKQPXMSGLHY-UHFFFAOYSA-N 308.385 3.351 0 40 DGAB C[C@@H](Nc1ccc(Oc2cccc(F)c2)cc1)c1nnnn1C 189786425 KRSSTEHDEMPYAX-LLVKDONJSA-N 313.336 3.315 0 40 DGAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 225322813 COUQADFBBDPWTB-LALPHHSUSA-N 318.442 3.338 0 40 DGAB Cc1ccc(OCC(=O)NCCOc2ccccc2C)cc1C 224140612 SNYDZQPIYTZTNO-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB COc1ncccc1NC(=S)NCCCc1ccccc1 223962296 RZFBTPRFKUVRGX-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB Cc1ncsc1CN1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107258 UZTNJFMVYIAJIE-WBVHZDCISA-N 322.474 3.002 0 40 DGAB COCc1ccc(C(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)o1 96431991 KLRASRHHESWVFN-LLVKDONJSA-N 323.776 3.277 0 40 DGAB CC1(COc2ccc(I)cn2)CCC1 96529282 KVMHFKXZFBSMBT-UHFFFAOYSA-N 303.143 3.255 0 40 DGAB Cc1n[nH]cc1CNc1cnn(Cc2ccc(Cl)cc2)c1 90200172 HDOHTUSTHQBTTE-UHFFFAOYSA-N 301.781 3.228 0 40 DGAB CCCCc1ncc(CN2CCC[C@H]2c2nc(C)cn2C)[nH]1 585181408 HAODUVKZQVJDDA-HNNXBMFYSA-N 301.438 3.131 0 40 DGAB COc1ccc2c(c1)N(S(=O)(=O)c1sccc1C)CCC2 585094132 GRMCCZXONOXIHQ-UHFFFAOYSA-N 323.439 3.207 0 40 DGAB CC(C)N1C[C@@H](c2ccc(Cl)cc2)C2(CCNCC2)C1=O 44137455 RMDRSDKIKWMYHS-HNNXBMFYSA-N 306.837 3.044 0 40 DGAB COc1ccccc1CNC(=O)CCOc1ccc(Cl)cc1 46565694 ZVMHPQBJMZRXBV-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB COc1c(C(=O)Nc2ccc(OC(C)C)c(C)c2)c(C)nn1C 76022833 YJTZLQQXMYEHJX-UHFFFAOYSA-N 317.389 3.085 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n[nH]1 76060113 WMRYCJJNFZBDMF-WBVHZDCISA-N 309.413 3.154 0 40 DGAB Cc1cscc1C(=O)NCc1cccc2c1OCCCO2 89708910 BEYDNECCGLJIKF-UHFFFAOYSA-N 303.383 3.148 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)COc1cccc2ccccc12 5459205 SOPGSAMCFYMKFA-UHFFFAOYSA-N 309.369 3.208 0 40 DGAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1 14357708 IYIYBPSXOKNBPT-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB CCc1s/c(=N\c2ccc(F)cc2)n(C(C)=O)c1OC(C)=O 5375705 BZFMFWSVQXAFLL-ICFOKQHNSA-N 322.361 3.069 0 40 DGAB CSCC[C@@H](O)CNC(=O)c1ccc(-c2ccsc2)cc1 1888920840 PMZQDTWXNAICAT-OAHLLOKOSA-N 321.467 3.259 0 40 DGAB CCOc1cc2c(cc1CNC(=O)[C@H]1CC=CCC1)O[C@H](C)C2 24645672 IWSRTOFJTBQQIH-KGLIPLIRSA-N 315.413 3.381 0 40 DGAB O=C(c1ccsc1)N1C[C@@H]2CN(CC3CCCCC3)C[C@@H]2C1 1048674786 YFLBXYIHNSUHCS-CALCHBBNSA-N 318.486 3.332 0 40 DGAB O=C(NC[C@@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1 10220525 QDGVNNHDOKAREK-QGZVFWFLSA-N 311.381 3.255 0 40 DGAB CNC(=O)Cc1ccc(NC(=O)c2c(F)cccc2Cl)cc1 13716870 QENVSYFPDGYNBI-UHFFFAOYSA-N 320.751 3.020 0 40 DGAB O=C(NCc1cccs1)Nc1nnc(-c2ccsc2)o1 49029189 PPCOFKBZOBYHKA-UHFFFAOYSA-N 306.372 3.181 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](CO)[C@@H](c2ccccc2)OC1(C)C 201843122 LBTFCAQHUDISGT-ZIAGYGMSSA-N 307.390 3.092 0 40 DGAB CCCCC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 30334518 OPAVQXVZTGRVNE-LLVKDONJSA-N 303.399 3.081 0 40 DGAB Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)OC(C)(C)C 40443086 RZQLSHSZFIMHDE-UHFFFAOYSA-N 302.418 3.371 0 40 DGAB CS[C@H](C)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 31709619 ZITJIGCPLMMSOR-SNVBAGLBSA-N 309.822 3.275 0 40 DGAB CC(C)N(CC(=O)Nc1ccc(N2CCCC2)cc1)C1CC1 32777898 WQKCJIZJXHSUOT-UHFFFAOYSA-N 301.434 3.098 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 32923964 DEJCKVLWDBLOON-VUDBWIFFSA-N 324.211 3.408 0 40 DGAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccc1 579738 ORFOPOMYNMVIPZ-ZDUSSCGKSA-N 303.789 3.466 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(CC)cc2)C1 33612880 UWMLKLFIJICHCS-CQSZACIVSA-N 304.390 3.056 0 40 DGAB Cc1cc2ncn(CC(=O)N(C)Cc3cccs3)c2cc1C 22884165 TUGLUHZYKKVSGS-UHFFFAOYSA-N 313.426 3.373 0 40 DGAB O=C(c1cc(F)c(F)cc1Cl)n1cc(Br)cn1 37163 SSRIKTAQJWMPPG-UHFFFAOYSA-N 321.508 3.266 0 40 DGAB Cc1cccc(-c2nnc(SCC(=O)NC3CCCC3)o2)c1 417825 MFKLIIDLIUYBFV-UHFFFAOYSA-N 317.414 3.196 0 40 DGAB C[C@@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cn2)C1=O 1423584 ZSLFTWJRUNIOKC-FZMZJTMJSA-N 314.772 3.418 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccccc1F 3590845 MLWMWNVWDLHEOR-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CCc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)cc1 4143807 XSXQGRWOEFBWGI-UHFFFAOYSA-N 310.353 3.186 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)Cc2cccs2)c(C)c1 5786911 JPUUZABGDZAIIC-UHFFFAOYSA-N 317.410 3.398 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@H](c2cccc(O)c2)N(C)C3=O)cc1 6747805 XKTXQBYYHHCVCH-SFHVURJKSA-N 319.364 3.266 0 40 DGAB COc1cccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)c1 6946497 WTXOFMIQCWSGRJ-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB Cc1[nH]c(C(=O)NCc2ccccc2)c(C)c1C(=O)OC(C)C 7399835 NCSFIEAQBQKQCH-UHFFFAOYSA-N 314.385 3.127 0 40 DGAB Cc1cccc(C(=O)O[C@@H](C)C(=O)c2ccc(F)cc2)c1O 7701297 FRRXDIASWVSPLB-NSHDSACASA-N 302.301 3.268 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)c(C)c1 8336338 QDXAEGNHQYPGGE-UHFFFAOYSA-N 300.314 3.376 0 40 DGAB COCCNCc1cccc(OC)c1OCc1ccccc1 8469242 BORNNWKUAVTRNI-UHFFFAOYSA-N 301.386 3.010 0 40 DGAB Cc1cc(C(=O)CSc2ncn[nH]2)c(C)n1CCC(C)C 8491166 UHVDOETVRSBAHZ-UHFFFAOYSA-N 306.435 3.244 0 40 DGAB Cc1c(C(=O)Nc2cccc(Cl)c2)cnn1-c1ccccn1 8715134 NWNFVJIUHYYWPY-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CCCc1nc2c(sc(=S)n2-c2ccccc2)c(=O)[nH]1 8892451 AOCKGOYNUYUHMA-UHFFFAOYSA-N 303.412 3.457 0 40 DGAB O=C1C[C@@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1 10156798 HWMHQOJPWZXGBT-ZDUSSCGKSA-N 304.349 3.491 0 40 DGAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3)o2)o1 11851395 MDZCBDBUGMSJIV-UHFFFAOYSA-N 302.311 3.320 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccnn1Cc1ccccc1 12824098 CREZPHQRUYAWGU-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(N)n1 13121242 AONLUNOIWFKRKK-VHSXEESVSA-N 319.434 3.020 0 40 DGAB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@@H](C)O1 14235621 GWPMMNBUUSRRTC-GASCZTMLSA-N 323.392 3.167 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](C(=O)O)C1 15446001 UHRXHCZPUWORFZ-ZIAGYGMSSA-N 305.374 3.112 0 40 DGAB Cc1cccc(C)c1NC(=O)c1nn(-c2ccccc2)nc1C 15992584 QSKCBGSRNKRDRR-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CC(C)(C)c1cc(=O)[nH]c(Nc2nc3ccccc3s2)n1 18222738 GOCVEACYDQQZHF-UHFFFAOYSA-N 300.387 3.421 0 40 DGAB COc1ccccc1CN[C@@H]1CCC[C@H]1Cc1cc(C)no1 19120591 TZDAKUFXNJZSBJ-WMLDXEAASA-N 300.402 3.493 0 40 DGAB CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cccc(F)c1 19712155 DRYVMYWIBMTYQH-MSOLQXFVSA-N 304.409 3.191 0 40 DGAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@@H]2C)cc1 22704127 YMFGCXMAVTZMDZ-ZDUSSCGKSA-N 312.344 3.491 0 40 DGAB Cc1cc(C)n(CCCNC(=O)Cc2ccc3ccccc3c2)n1 23246185 GGKHNQKDQMMRPE-UHFFFAOYSA-N 321.424 3.402 0 40 DGAB c1cnc(-n2cccn2)c(CNc2nc3ccccc3s2)c1 24660860 ZTFSEACXLAXOGP-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB C[C@H](SCc1nc(N)nc(N(C)C)n1)c1ccccc1Cl 25220699 MLDWXHODJXQTTI-VIFPVBQESA-N 323.853 3.168 0 40 DGAB CCOC(=O)/C=C/c1ccc(NCc2c(C)noc2C)cc1 26781933 CCSNTPBDOKYWIO-JXMROGBWSA-N 300.358 3.480 0 40 DGAB Cc1ccc(Cn2cc(NC(=O)Cc3ccccc3)cn2)cc1 27919950 IDOZPFRHDPJFDW-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB Cc1csc(NC(=O)CCCc2nc3ccccc3[nH]2)n1 29260260 LNWUIFMOAFPLRH-UHFFFAOYSA-N 300.387 3.289 0 40 DGAB Cc1ccc(C(=O)N2CCCN(Cc3ccccc3C)CC2)cn1 31765506 GZJCJAUVUZPUSV-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB CCCCOc1cc(S(=O)(=O)NCCC)ccc1Cl 32601794 SCPYDZJQWLECRH-UHFFFAOYSA-N 305.827 3.207 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3F)cn2)n1 33146341 MTHDDFMIDWHDKE-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB COc1cccc([C@@H](CNc2ncnc3ccccc23)N(C)C)c1 40004974 FPOMPLTUTMIDKX-GOSISDBHSA-N 322.412 3.353 0 40 DGAB Cc1ccsc1C(=O)NCc1ccccc1Cn1cccn1 40476647 DMZSONJHXMPSFR-UHFFFAOYSA-N 311.410 3.231 0 40 DGAB Cc1occc1C(=O)N1CCC[C@H](c2nc(C(C)C)no2)C1 41122536 CJOWILRSMQFEMN-LBPRGKRZSA-N 303.362 3.114 0 40 DGAB Cc1occc1C(=O)NCCNc1ncc(Cl)cc1Cl 47163428 HDSBTFPFMXQOEF-UHFFFAOYSA-N 314.172 3.132 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)/C=C/c1cccnc1 57252895 IUKIBYKXOCZDNI-ZNFPLGDCSA-N 324.428 3.240 0 40 DGAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@H]1c1ccccn1 57265550 CQTRHCBFDPYIHB-INIZCTEOSA-N 308.385 3.028 0 40 DGAB O=c1c2ccccc2cnn1CN(CC1CCCCC1)C1CC1 60296071 BNRLILMJRQJDSO-UHFFFAOYSA-N 311.429 3.399 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H](C)c2ccc(F)cc2)cs1 62649986 XOISERJNIVQRIK-JTQLQIEISA-N 307.394 3.493 0 40 DGAB O=C(NCc1ccccc1Oc1ccccc1)c1cccc[n+]1[O-] 63250145 BXRDLQJBRGFULS-UHFFFAOYSA-N 320.348 3.042 0 40 DGAB c1ccc(CCN2CCN(c3nc4ccccc4o3)CC2)cc1 67182967 JJMBAIXLMVVSJO-UHFFFAOYSA-N 307.397 3.193 0 40 DGAB Cc1noc([C@@H](C)NC(=O)Nc2ccc3nc(C)sc3c2)n1 69656232 PLTHOFUBPDPJDV-SSDOTTSWSA-N 317.374 3.179 0 40 DGAB Cc1c(F)cc(C(=O)NCC(F)(F)F)cc1NC(=O)C(C)C 69701739 RLBZWKYEZKEDKT-UHFFFAOYSA-N 320.286 3.021 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNC[C@@H](O)c1ccccc1 71819514 RXIXAJJRPDXTPL-CQSZACIVSA-N 307.825 3.020 0 40 DGAB NC(=O)[C@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 71824510 DMIQJJXECSMPLV-JKSUJKDBSA-N 300.789 3.144 0 40 DGAB CCn1nc(C)cc1C(=O)Oc1cccc(NC(=O)C(C)C)c1 71904032 MILRUGPFQHVOGT-UHFFFAOYSA-N 315.373 3.025 0 40 DGAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@@H]1c1nccs1 72272082 PKOYOTWUZRCFLW-HIFRSBDPSA-N 314.410 3.200 0 40 DGAB O=C(NCc1cccc(F)c1)c1cc(-c2cccs2)on1 72427590 JNNZHDWPPUJSNZ-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB CSc1nc(C)nc(C)c1C(=O)N(CC1CC1)CC1CC1 73731403 PQVBIKQNBKZWRE-UHFFFAOYSA-N 305.447 3.078 0 40 DGAB CCc1ccc2c(CN(CC(C)(C)O)C(C)C)cc(=O)oc2c1 83825584 CORYBEUMOCFAGH-UHFFFAOYSA-N 317.429 3.337 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)Nn1cnc2ccccc21 84718221 XZONKQZGORGZFH-LLVKDONJSA-N 312.398 3.381 0 40 DGAB CCN(CC)Cc1nn(C(=O)OC(C)(C)C)c2cc(N)ccc12 89195762 PIHJVNGKIGTLCB-UHFFFAOYSA-N 318.421 3.244 0 40 DGAB CCOc1ncc(C(=O)N2CC[C@@H](c3ccco3)C2)cc1Cl 95395721 GGGMYTIEMYYLGJ-LLVKDONJSA-N 320.776 3.356 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12 95417754 SNCKKDVYDGNLSP-GUYCJALGSA-N 308.381 3.410 0 40 DGAB O[C@H](CCC1OCCCO1)c1ccc(Br)cc1 95728414 XUQFXAHEXAVZAU-GFCCVEGCSA-N 301.180 3.026 0 40 DGAB COc1ccc(CC[C@@H](C)NC(=O)c2c(C)noc2C)cc1 95956148 RJAPXCHKMIDHAT-LLVKDONJSA-N 302.374 3.051 0 40 DGAB CS(=O)(=O)CCCCOc1ccc(Cl)c2cccnc12 95993962 WKQLVWMRQKVZRH-UHFFFAOYSA-N 313.806 3.092 0 40 DGAB COc1ccccc1C1=NO[C@@](C)(C(=O)Nc2ccccc2)C1 96193082 WLCNPORPSUCNLV-GOSISDBHSA-N 310.353 3.217 0 40 DGAB c1ccc(CNC[C@H]2Cn3c(-c4ccccc4)cnc3CO2)cc1 96296448 OGAPSHFOMBBJMZ-SFHVURJKSA-N 319.408 3.239 0 40 DGAB biogenic,in-vitro CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccncc1 96412197 HAWIHHBDVNFJOK-XHDPSFHLSA-N 304.777 3.241 0 40 DGAB CCc1ccc([C@H](COC)NC(=O)c2ccnc(Cl)c2)o1 96423294 XNWUQDZIELQZTL-LBPRGKRZSA-N 308.765 3.008 0 40 DGAB CCn1ccc2ccc(NC(=O)NCCc3cscn3)cc21 96484125 SNMSXMROJOEKKT-UHFFFAOYSA-N 314.414 3.482 0 40 DGAB CCOC(=O)Nc1cccc(N[C@H](C)c2cnn(C)c2)c1C 97037546 GABVGFRRODLWEH-GFCCVEGCSA-N 302.378 3.470 0 40 DGAB CCn1cc(N[C@@H](C)C(=O)Nc2ccccc2C(C)C)cn1 97377381 CJPYNYSQSOEXHK-ZDUSSCGKSA-N 300.406 3.466 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106648476 HTYVEOATOASBDX-YHUYYLMFSA-N 314.429 3.114 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CC[C@H](C)C[C@H]1c1ccco1 107064826 FKBXYMHLIDFOPB-FZMZJTMJSA-N 316.405 3.031 0 40 DGAB Nc1cc(C(F)(F)F)cc(F)c1I 169798180 CYMJXLZPBIBSRT-UHFFFAOYSA-N 305.012 3.031 0 40 DGAB O=C(O)c1coc(C(=O)N2CCCCC[C@@H]2c2ccco2)c1 183792274 HMNNQWZKSXLRGZ-GFCCVEGCSA-N 303.314 3.328 0 40 DGAB Cc1ccoc1C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1 194942414 LZFXXTMBYSPPPW-UHFFFAOYSA-N 315.344 3.462 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 219488538 QAXKJAPQLKXSDX-JKSUJKDBSA-N 313.397 3.346 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCOCc1ccccc1 224414432 DUEOGASWYOXYFO-INIZCTEOSA-N 313.397 3.095 0 40 DGAB Cc1noc(C)c1CCCNCc1ccc(Br)o1 225386439 RGEPATKIUZWLHY-UHFFFAOYSA-N 313.195 3.369 0 40 DGAB C[C@H]1Cc2cccc3c(=O)c(C(=O)N(C)c4ccccc4)cn1c23 225862247 QBTIJDDIOGYNLU-ZDUSSCGKSA-N 318.376 3.395 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)[C@@H]3C[C@H]4C=C[C@H]3C43CC3)ccc21 247963885 WLBAITHMZRNXLG-DJIMGWMZSA-N 322.408 3.136 0 40 DGAB CN(C)C(=O)C(F)(F)Sc1ccccc1Br 256050276 DLIZAHHSKVJOIF-UHFFFAOYSA-N 310.163 3.222 0 40 DGAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2Cc2ccsc2)n1 257274162 NJVDBGNILNUNOG-INIZCTEOSA-N 316.474 3.245 0 40 DGAB CC(C)c1cc(C(=O)N2CCC(C)(c3nccs3)CC2)on1 257326632 WXZDJOCVFIBBJC-UHFFFAOYSA-N 319.430 3.448 0 40 DGAB CCN(CC)CCN1CCCC[C@H]1c1nnc(C2CCC2)o1 583615171 NRQAHKUVIDFQRS-HNNXBMFYSA-N 306.454 3.206 0 40 DGAB CCCC[C@H](N[C@@H](C)CC[P@](C)(=O)OCC)C(=O)OC 583651743 RMLJIVIYBKZXCR-KQHSUYLTSA-N 307.371 3.031 0 40 DGAB CN(C)c1ccc(N(C)C(=O)CSC[C@@H]2CCCCO2)cc1 584906696 VEZVLTWDDVURIO-INIZCTEOSA-N 322.474 3.018 0 40 DGAB C[C@@H]1C[C@H](C(=O)N(C)Cc2nnc3ccccn23)CC(C)(C)C1 584908454 CTVLFSFMTLYVKL-KGLIPLIRSA-N 314.433 3.150 0 40 DGAB CC(=O)N1CC(C)(C)[C@H]1c1nccn1COCC[Si](C)(C)C 1558563107 CTKHSYVQLGWTEI-CQSZACIVSA-N 323.513 3.125 0 40 DGAB O=c1c(O)c(-c2ccc([N+](=O)[O-])cc2)oc2ccc(F)cc12 3074448 AVQLJUYCQSPFQE-UHFFFAOYSA-N 301.229 3.213 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)Cc2ccccc2Cl)cs1 40513867 OZNAMVDZSRPNJL-UHFFFAOYSA-N 323.805 3.027 0 40 DGAB O=C(CCCc1ccccc1)N1CCC(CN2CCCC2)CC1 40541761 XAKPKXMCKOGSRP-UHFFFAOYSA-N 314.473 3.344 0 40 DGAB COc1ccccc1CNC(=O)c1cc(-c2cccs2)[nH]n1 51315942 LUBJCHXQQNSTJN-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB CN(C[C@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 6001468 CECXARUDHHNYTA-KRWDZBQOSA-N 311.853 3.482 0 40 DGAB CNc1c(NC(=O)CCc2ccccc2)c(=O)oc2ccccc12 6823379 OJQNQZPRVZTMDZ-UHFFFAOYSA-N 322.364 3.406 0 40 DGAB CNc1c(NC(=O)c2cccc(C)c2)c(=O)oc2ccccc12 6823227 MKAMFXZSSJXOBJ-UHFFFAOYSA-N 308.337 3.395 0 40 DGAB O=C(NCCCN1CCCCCC1=O)c1ccc2ccccc2c1 8114942 VOCLVRIFVJMPAJ-UHFFFAOYSA-N 324.424 3.362 0 40 DGAB O=c1cc(CO)oc([C@H](Nc2ccccc2)c2ccccc2)c1O 8579400 SDUJCHJWBKZEPC-QGZVFWFLSA-N 323.348 3.039 0 40 DGAB Cn1c(=S)c2nc(Cc3ccccc3)[nH]c2n(C)c1=S 8626630 QGOKXWGSYHLJCH-UHFFFAOYSA-N 302.428 3.290 0 40 DGAB C[C@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 300486 HBHDQNPFGNFTOS-YOEHRIQHSA-N 304.409 3.162 0 40 DGAB CS[C@H](C)C(=O)/N=c1\sccn1Cc1ccc(C)cc1 36848671 KZOCATJTTUIZMD-KXEGMRRWSA-N 306.456 3.085 0 40 DGAB C[C@H](NC[C@H](O)COCc1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 102145506 RDPZQLWGYFRVLV-BWJWTDLKSA-N 309.475 3.040 0 40 DGAB C[C@H](OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1F 69893256 VCBXQSADKCEEEJ-FZZIBODNSA-N 306.312 3.106 0 40 DGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69872376 FYPVPNGQKGWZRX-GJZGRUSLSA-N 322.836 3.047 0 40 DGAB O=C(/C=C/c1ccc(Br)o1)O[C@H]1CCCCC1=O 2643473 YKWVNPNLWFUUDX-IOCXFXADSA-N 313.147 3.110 0 40 DGAB COc1cc(CN[C@@H](C)c2cccs2)cc2c1OCCO2 22778706 MCPOEZKNAFMOIH-NSHDSACASA-N 305.399 3.379 0 40 DGAB O=C(O)[C@@H](Cc1ccc(Cl)c(Cl)c1)N1CCCCC1 57630376 ZDRRWGHLTMBMOV-CYBMUJFWSA-N 302.201 3.475 0 40 DGAB COc1ccc(C(=O)NCc2ccc(C)c(F)c2)c(OC)c1 12487398 LUMXFALRVUTXJI-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB Clc1cccc(-c2noc(CSc3ncccn3)n2)c1 8392711 RPRNQRSBHUYARY-UHFFFAOYSA-N 304.762 3.472 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NCc1ccccc1Cl 42931304 JUYDNNAWESEDIB-UHFFFAOYSA-N 307.781 3.286 0 40 DGAB COCCOCc1cccc(NC(=O)N2CCC[C@@H](C)C2)c1 47589927 VSDZBQTVCRGGLS-CQSZACIVSA-N 306.406 3.113 0 40 DGAB Cn1ncc(-c2nc3c([nH]2)c(C2CC2)nn3C)c1-c1ccccc1 55360471 DPDBRMCGRBUIMC-UHFFFAOYSA-N 318.384 3.241 0 40 DGAB Cc1nnc(SCc2coc(-c3cccc(F)c3)n2)n1C 26030673 NNXGBBYXDXXHPU-UHFFFAOYSA-N 304.350 3.210 0 40 DGAB CCc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1ccccn1 56824752 GSLCAZXPHVAFBK-GOSISDBHSA-N 321.380 3.460 0 40 DGAB O=C(NCc1ccoc1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188293 YBHKLXKPQXUWND-JKSUJKDBSA-N 318.348 3.138 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2ccc(C=O)c(Cl)c2)CC1 44154461 IPJFBIYCXPKLSK-UHFFFAOYSA-N 324.808 3.210 0 40 DGAB O=C(Cc1ccc2ccccc2c1)NCC(=O)Nc1ccccc1 47898458 BHTLEKLOVWEFIN-UHFFFAOYSA-N 318.376 3.137 0 40 DGAB COc1cc(OC)c2[nH]c(C(=O)Nc3cc(C)ccn3)cc2c1 58169319 PLSZQCHKIMRUBG-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccccc1OC[C@H]1CCCO1 10155654 HGQBWPAOTZWZHY-CYBMUJFWSA-N 323.348 3.045 0 40 DGAB C[C@@H](C(=O)Nc1nccs1)N1CCC[C@@H]1c1ccsc1 44977646 PWHSDEQMJFRWFT-CMPLNLGQSA-N 307.444 3.369 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(C)s1)CC2 17064835 BKDALDZKNCUYBS-UHFFFAOYSA-N 317.410 3.272 0 40 DGAB O=C(CCc1ccsc1)NC[C@H]1CCN(c2ccccc2)C1 27827422 FZHQCJPSYAVZDY-MRXNPFEDSA-N 314.454 3.323 0 40 DGAB COc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 58313808 PPZFGQFWVMCFTI-KBXCAEBGSA-N 319.449 3.327 0 40 DGAB COc1c(CN[C@H](C)c2sc(C)nc2C)c(C(C)C)nn1C 58407394 PQQFGGXHBJODNV-SNVBAGLBSA-N 322.478 3.476 0 40 DGAB O=C(N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 12790658 YPXPEICKLFUDGD-USXIJHARSA-N 324.428 3.356 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)c2ccccc2N1 12925988 KIPIHZNLPMTVRZ-NSHDSACASA-N 302.280 3.029 0 40 DGAB O=C(CCNC(=O)NC1CCCCC1)Nc1ccc(Cl)cc1 12916210 JGGRSRMAASYWJT-UHFFFAOYSA-N 323.824 3.301 0 40 DGAB CCc1ccc(CC)c(C(=O)CSc2cccc[n+]2[O-])c1 60758515 DPQISBJJLKDRMD-UHFFFAOYSA-N 301.411 3.420 0 40 DGAB Cc1ccc(C)c(OC[C@H](O)Cn2cnc3ccccc32)c1C 39484407 XJVBRMBPMKGMOL-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB O=C(Nc1ccc(F)cc1)N[C@H]1CCN(Cc2ccccc2)C1 18180470 BSSFCJIJJCHFND-KRWDZBQOSA-N 313.376 3.222 0 40 DGAB O=C(NC1c2ccccc2Oc2ccccc21)C1CCOCC1 69529191 FHZUAEBIJAAZRU-UHFFFAOYSA-N 309.365 3.425 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2ncccc12 6884197 SXUFAAMCPDASID-UHFFFAOYSA-N 320.348 3.187 0 40 DGAB COc1ccc(-c2nn3c(-c4ccoc4C)nnc3s2)cc1 4938930 ICUIKMSHMLVJRK-UHFFFAOYSA-N 312.354 3.430 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)[C@H]2C[C@H]2c2ccccc2)c1C 28573428 IOEJHMCIOPLYLH-IRXDYDNUSA-N 311.429 3.282 0 40 DGAB COc1cccc(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1 67800888 DFUVKRDDKXUWOY-UHFFFAOYSA-N 320.433 3.184 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)c1n[nH]c2ccccc12 69778184 KBOVHBXYEGXHLB-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB CCN(C(=O)Cc1cccc(Br)c1)c1cccnc1 69975488 BPXDZDWICAQALX-UHFFFAOYSA-N 319.202 3.440 0 40 DGAB Cn1c(SCc2nc(-c3cccnc3)no2)nc2ccccc21 8704501 JVGXLQUIQYIEGH-UHFFFAOYSA-N 323.381 3.311 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)c1 71872000 QGJFMZBXJHKHBC-IAGOWNOFSA-N 314.433 3.025 0 40 DGAB COc1ccc(-n2ccnc2-c2[nH]nc(C)c2Cl)c(OC)c1 67896097 YZTNITZDXKPQJP-UHFFFAOYSA-N 318.764 3.241 0 40 DGAB Cc1ccoc1C(=O)NC[C@@H](O)c1ccc(Cl)cc1Cl 71898154 GDLWHOWCYRLWRH-GFCCVEGCSA-N 314.168 3.358 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccn2)C1 89894303 KVOCAJOSYHKHTP-ZIAGYGMSSA-N 305.422 3.211 0 40 DGAB Cc1csc2nc(CNc3ccc(Cl)cc3)cc(=O)n12 9364572 URJQABZZUWQBGU-UHFFFAOYSA-N 305.790 3.330 0 40 DGAB CCc1[nH]ncc1C(=O)N[C@H](C)c1ccccc1C(F)(F)F 83817537 RUCKZORKYAFQSJ-SECBINFHSA-N 311.307 3.482 0 40 DGAB Cc1ccc(-c2nc(COn3nnc4ccccc43)cs2)cc1 9835196 JWNLQOIPJJKEMB-UHFFFAOYSA-N 322.393 3.492 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)NCC12CC3CC(CC(C3)C1)C2 78308209 OONMFYNODNZRSN-UHFFFAOYSA-N 315.461 3.292 0 40 DGAB COc1cccc(NC(=O)CNc2cc(F)c(F)cc2F)c1 95396980 WBMGZUJYXRELEI-UHFFFAOYSA-N 310.275 3.163 0 40 DGAB Cc1oc(CNC(=O)Cc2ccc3ccccc3c2)cc1C(=O)O 95361115 HZXYGVJUUOTAOA-UHFFFAOYSA-N 323.348 3.298 0 40 DGAB CC(C)(C)c1nccc(N[C@@H]2CCO[C@]3(CCSC3)C2)n1 95426401 XXRPMEOECQTLJF-MLGOLLRUSA-N 307.463 3.241 0 40 DGAB CN(Cc1ccc(Cl)nc1)Cc1nc(-c2cccs2)n[nH]1 95415999 OJGCAYVXLSXVKF-UHFFFAOYSA-N 319.821 3.214 0 40 DGAB CC[C@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C 95967482 VMYOBNBJFDWTMW-ZWKOTPCHSA-N 308.441 3.223 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@H](N2CCCCCC2)C1 95953306 RDJIXYHGQUMPRQ-KRWDZBQOSA-N 319.493 3.225 0 40 DGAB Cc1cc(-c2nnc(SCc3ccc(F)cc3)o2)nn1C 28579022 ZDWHVDFMIHKHRG-UHFFFAOYSA-N 304.350 3.210 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1 23746405 AYELJBZSMAAMCJ-ZDUSSCGKSA-N 319.788 3.303 0 40 DGAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Cl 409220472 ADSKRRURPZZTLZ-QQMDNXKGSA-N 322.792 3.430 0 40 DGAB Cc1cccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)c1 409017315 FSDAEQDUAWIGEI-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB O=C(NC[C@@H]1CCOC1)Nc1cccc(C(=O)c2ccccc2)c1 78550560 VUJLBMLZUREMEA-AWEZNQCLSA-N 324.380 3.076 0 40 DGAB Cc1cc(I)ncc1[C@H](N)c1ccccc1 72225992 FROLARMPWFYLPU-CYBMUJFWSA-N 324.165 3.043 0 40 DGAB Cc1ccc(C2=CCN(S(=O)(=O)c3ccc(F)cc3)CC2)o1 72342277 KMGSYIQJVMLAEV-UHFFFAOYSA-N 321.373 3.205 0 40 DGAB CC(C)Oc1cccc(C(=O)Nc2ccc(N(C)C)c(N)c2)c1 226267878 VVWCJMDJLDZDGA-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB CNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346188 OFFGOXOWLOGQHB-SFHVURJKSA-N 324.424 3.159 0 40 DGAB Cn1cccc1C(=O)N1CC[C@H](CSc2ccccc2)C1 81287887 HFKCNKHJGHGTBP-AWEZNQCLSA-N 300.427 3.280 0 40 DGAB O[C@H](c1ccc(Br)cc1)c1ccc2c(c1)OCO2 40243390 SZTJOYCHSBJETO-CQSZACIVSA-N 307.143 3.260 0 40 DGAB NC(=O)c1cc(Br)ccc1OCc1cccc(F)c1 226319126 DZKDBPMFRJHMLK-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB CC(=O)Nc1cccc(NC(=O)COc2cc(F)ccc2C)c1 195576662 UCTZEJFVGGMQNY-UHFFFAOYSA-N 316.332 3.110 0 40 DGAB CC(C)N(CC(F)(F)F)C(=O)CSc1ccccc1O 96447721 OPQZDDQKNYHJCV-UHFFFAOYSA-N 307.337 3.284 0 40 DGAB O=C(Nc1ccc2c(Cl)cccc2n1)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 333965341 PWGLIXPRAXKXAE-WCQGTBRESA-N 314.772 3.442 0 40 DGAB O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cscn1 96490919 XQYFMRBLLGVZIZ-WCQYABFASA-N 308.790 3.057 0 40 DGAB Fc1cccc(CN2C[C@H]3CN(Cc4ccsc4)C[C@H]3C2)c1 96053855 HOBCYVPQUSKGDG-CALCHBBNSA-N 316.445 3.451 0 40 DGAB CN(C)c1cccc([C@@H]2CCCN2C(=O)COC2CCCC2)c1 96410167 AHHJJHAJEQFTRF-SFHVURJKSA-N 316.445 3.375 0 40 DGAB c1cc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)co1 96106455 VMWOBIDMBYXYEY-SFHVURJKSA-N 319.445 3.325 0 40 DGAB Cc1ccc(CNC2CCN(CCc3ccncc3)CC2)cc1C 96402788 DMICRBOPTJEEEF-UHFFFAOYSA-N 323.484 3.495 0 40 DGAB CCc1nn(C)cc1NC(=O)COc1ccc2ccccc2c1 91163029 ZIJKLDQYUARTQX-UHFFFAOYSA-N 309.369 3.153 0 40 DGAB CC(=O)NC[C@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 96424164 OFGXKMQUYGWHHA-GFCCVEGCSA-N 315.244 3.342 0 40 DGAB C[C@]12CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 257346202 UXZGHAVOAACUIL-VKYUDHICSA-N 306.446 3.074 0 40 DGAB CNc1nc([C@@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 257308426 TWQWVMIWOGSXQM-MRXNPFEDSA-N 321.428 3.151 0 40 DGAB CC(C)OCC(=O)Nc1c(Br)ncc2ccccc12 585125779 FJFXSUWJHSLBCF-UHFFFAOYSA-N 323.190 3.361 0 40 DGAB CC(C)(C)N(Cc1ccc(Br)cc1)Cc1nc[nH]n1 585123481 JVPKUJIDCZFMJI-UHFFFAOYSA-N 323.238 3.368 0 40 DGAB CC1=NO[C@H](CNCc2cc(Cl)ccc2OC(F)F)C1 585116843 JXJHUVUCDLTEKR-NSHDSACASA-N 304.724 3.196 0 40 DGAB COc1ccccc1C(=O)NCc1ccc(-c2ccoc2)nc1 390832268 YHHTZFPIMYYQAW-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CC(C)CNC(=O)N1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67454961 ZRJHOIYAYNFZBS-MRXNPFEDSA-N 324.852 3.451 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Cl)c(Br)c1 1083807068 YDWWRUHZJQXCPW-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB COc1ccc(C(=O)COc2ccc(C(C)=O)cc2)cc1OC 5654175 FJLVBHGQPAVZRI-UHFFFAOYSA-N 314.337 3.168 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)c1ccc2c(c1)CCCC2 12360386 BRZCVMWLTJCLIF-UHFFFAOYSA-N 307.349 3.356 0 40 DGAB CCCC(=O)N(CCC)Cc1cc2cc(OC)ccc2nc1O 13479931 NLLPYKHKOJLQPX-UHFFFAOYSA-N 316.401 3.488 0 40 DGAB CCn1cncc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 13994052 AWEVZAVYARPMBI-GOSISDBHSA-N 317.408 3.223 0 40 DGAB COC(=O)c1ccc(-c2ccc(N3CCOCC3)s2)s1 16194257 RLJVQJPHHZPGTE-UHFFFAOYSA-N 309.412 3.100 0 40 DGAB COc1ccc(CNC(=O)/C=C/c2ccc(C)cc2)cc1OC 8111975 TVAGVNPFFCHYTM-PKNBQFBNSA-N 311.381 3.342 0 40 DGAB CC(C)Sc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 7345397 GFULUJFARFQLTB-UHFFFAOYSA-N 323.399 3.020 0 40 DGAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCc1ccccc1 11693124 JNBIFQUFVNRLJJ-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB Cn1ccc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)n1 11695536 ZRWJIWXFPAYKCZ-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB COc1ccccc1[C@H](CNc1nc2cnccc2s1)OC 1775970593 GQAOAICWQRCLSN-AWEZNQCLSA-N 315.398 3.500 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1csc(-c2cnccn2)n1 44122781 JHTJAXARVDYUEG-UHFFFAOYSA-N 324.409 3.262 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc(Cl)c(C)c3)ccc2n1 2298092894 AUXZDHXIDAGJIR-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB CCOC(=O)C1(Cc2ccccc2-c2ccncc2)CCNCC1 19530221 NPZZXDVCFHMLNC-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB CCn1cc(C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)cn1 95397172 NZHITYKGCXRMDK-UHFFFAOYSA-N 309.373 3.162 0 40 DGAB CCCc1nc(NC#N)nc(C(=O)Nc2ccccc2)c1CC 408391 KUPPXQLOCQPLPQ-UHFFFAOYSA-N 309.373 3.137 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1F 3222273 CLSKFSJIPBEKKH-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2cccnc2)cc1 1277504 NJRWOMKXIDBZMC-KRWDZBQOSA-N 304.353 3.171 0 40 DGAB CCc1noc(-c2ccc(C)c(NC(=O)C3=CCCCO3)c2)n1 79961780 CXHYLADJUAHFHS-UHFFFAOYSA-N 313.357 3.240 0 40 DGAB CCc1nnc(NS(=O)(=O)c2ccc3ccccc3c2)s1 3073906 ADIIZKYXVKOOIA-UHFFFAOYSA-N 319.411 3.055 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 3252295 SNFLFSFHWGNBNC-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccc(F)cc1 6825157 CWKBIJNVODMXEN-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCCOc1ccc(/C=C(/Sc2nnc(C)[nH]2)C(=O)O)cc1 6880790 YSUGQDPHZWTICX-UKTHLTGXSA-N 319.386 3.120 0 40 DGAB O=C(CN1CCCCC1)Nc1ccccc1C(=O)c1ccccc1 7780867 PFINOMKOSJGLND-UHFFFAOYSA-N 322.408 3.342 0 40 DGAB COC(=O)c1ccc(OC(=O)c2cccc(Cl)c2)c(OC)c1 2073502 SGPMRRZUOPDXAZ-UHFFFAOYSA-N 320.728 3.354 0 40 DGAB O=C(CC[S@@](=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1 58098042 WSYVSUCVEULTFC-QFIPXVFZSA-N 323.364 3.242 0 40 DGAB COc1cc(C(=O)Nc2nc(C)cs2)cc2c1O[C@@H](C)C2 12689049 NZEWRWGILPIWST-VIFPVBQESA-N 304.371 3.036 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)NCc2ccc(C)cc2)c1 28837409 GANIORILMWZEES-CQSZACIVSA-N 310.397 3.314 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(NC(C)=O)c1 36712398 FWRMFZQATWGHRW-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 12348740 IKVWSTBDURLXKZ-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB COc1ccc([C@H]2CC(=O)Nc3ccsc32)c(OC)c1OC 12420146 WDKGYKAGCYUMHX-SNVBAGLBSA-N 319.382 3.248 0 40 DGAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@H]1c1ccc(F)cc1 89783277 PAJGQGPBUKNUFL-OWLYRPNTSA-N 319.420 3.377 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)[C@H]3C[C@H]3c3ccco3)c2)cn1 89756565 UVTQIRFANJNXRA-CVEARBPZSA-N 322.368 3.499 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)CCc2ccco2)c1 48361526 JBMORPSXXIBTIJ-UHFFFAOYSA-N 309.369 3.404 0 40 DGAB Cn1ccc(NC(=O)CSc2cc(Cl)ccc2Cl)n1 14184436 JFXHNUPHNGYXDK-UHFFFAOYSA-N 316.213 3.458 0 40 DGAB Cc1cc(C)cc(NC(=O)CSc2nc3ncccc3[nH]2)c1 5457210 IZAMATZQWFATLG-UHFFFAOYSA-N 312.398 3.306 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 6626231 QGMVDEWDZAWTCL-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB Cc1ccc(OCCN(C)[C@H](C)C(=O)NC2CCCCC2)cc1 15565647 BMZWKWHMLKIHQV-MRXNPFEDSA-N 318.461 3.143 0 40 DGAB CCOc1ccccc1CNCc1ccc([S@](C)=O)cc1 80366820 GJWUPJUXTHVFLW-OAQYLSRUSA-N 303.427 3.113 0 40 DGAB CC1=Nn2c(nnc2-c2ccc(Br)cc2)SC1 27299234 RFAYBSPBQZXGON-UHFFFAOYSA-N 309.192 3.037 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113959679 RBHKELQFWKAADQ-STQMWFEESA-N 317.360 3.479 0 40 DGAB COc1ccc(CCC(=O)Nc2nnc(CC(C)C)s2)cc1 7642998 KUJNWKOFQOVDHL-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccn2)c(C)c1 68347624 NWWSBBOZQLEZJJ-AWEZNQCLSA-N 304.415 3.080 0 40 DGAB CCCc1ccc(C2=C(C)SC3=NS(=O)(=O)CCN32)cc1 7718604 BMEIOEIDSMMYHQ-UHFFFAOYSA-N 322.455 3.076 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CSc1cc(F)ccc1F 7755766 IHJJYKISDGXPAW-UHFFFAOYSA-N 311.357 3.046 0 40 DGAB O=C(N1CC[C@@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 89827692 NWEWOCUILABQFM-KRWDZBQOSA-N 312.457 3.053 0 40 DGAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cnccn1 68774369 XNJYZWDJXRCFHC-UHFFFAOYSA-N 314.345 3.076 0 40 DGAB O=C(NCc1cccc(Cl)c1)c1cnn(-c2ccccc2)c1 8077058 RQLKQAMVXMYONH-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB CCN(CC(=O)NC(C)(C)C)C(=O)c1oc2ccccc2c1C 69284797 OVNQFLXYWBVGGN-UHFFFAOYSA-N 316.401 3.118 0 40 DGAB CCc1noc(C)c1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 8342327 UZXSRLDHZBUIAG-GFCCVEGCSA-N 324.384 3.222 0 40 DGAB CCc1noc(CN(C)Cc2ccc(OC(F)(F)F)cc2)n1 69416892 DLGSZPGXFFFIOJ-UHFFFAOYSA-N 315.295 3.163 0 40 DGAB c1csc(-c2csc(CN[C@@H]3CCc4ncnn4C3)c2)c1 69510980 IBQSZMOSORCGOT-GFCCVEGCSA-N 316.455 3.173 0 40 DGAB COc1ccc(C[S@@](=O)Cc2nc(C)c(C)o2)c(Cl)c1 97083647 KCFDESGEWTYKQO-FQEVSTJZSA-N 313.806 3.402 0 40 DGAB Cc1cc(=O)oc2cc(OCc3nc(CC(C)C)no3)ccc12 22525813 BPPGPNBDIYLMSU-UHFFFAOYSA-N 314.341 3.262 0 40 DGAB C[C@@H](CC1CCOCC1)Nc1ccccc1O[C@H]1CCOC1 97037973 FPHOXZJQPITFDG-HOCLYGCPSA-N 305.418 3.471 0 40 DGAB COc1ccc(CNC(=O)c2cc(OC)c3ccccc3n2)cc1 72329561 PDEQAVQDZKPOGM-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB Cc1cccc(O)c1NC(=O)c1csc([C@@H]2CCCO2)n1 97233797 MHBGJSUQAXMQJL-LBPRGKRZSA-N 304.371 3.261 0 40 DGAB COc1cc([C@@H](C)Nc2ncccc2F)cc(OC)c1OC 84484145 TVUFTGHPJZHDLV-SNVBAGLBSA-N 306.337 3.420 0 40 DGAB COCCCCN1CCC(NC(=O)[C@H](C)CC2CCCC2)CC1 521394133 PFTVWYUXYSOFQX-MRXNPFEDSA-N 324.509 3.210 0 40 DGAB CCOC(=O)c1cccc(NC(=O)CNc2ccc(C)cc2)c1 408599234 QKWNPGZUPSFBKM-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB Cc1cc(NC(=O)C2=C(c3ccccc3)SCCO2)on1 35671022 JQKPRTLULNRNNI-UHFFFAOYSA-N 302.355 3.054 0 40 DGAB CC(C)n1cc(S(=O)(=O)Nc2cccc3ccccc23)cn1 72239208 RMCVZQYFFWBVRQ-UHFFFAOYSA-N 315.398 3.418 0 40 DGAB O=C(NCc1cccnc1)NCC1(c2ccc(Cl)cc2)CC1 66964214 QNRRZRBBTQLCKF-UHFFFAOYSA-N 315.804 3.266 0 40 DGAB Cc1cnc(COCC(=O)N2CCC[C@H]2c2ccccc2C)o1 566336943 MELMFZDUBUIQFS-INIZCTEOSA-N 314.385 3.172 0 40 DGAB CCOc1cccc(C(=O)n2cc(C(=O)O)c3ccccc32)c1 216956545 LFLWYSWHMCUAMH-UHFFFAOYSA-N 309.321 3.427 0 40 DGAB CC(C)Oc1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 44900466 CDDVMJZJHVTHID-UHFFFAOYSA-N 319.426 3.093 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2c(C)cc(N)cc2C)c1 45889919 OFTUDPGGMAUPSJ-UHFFFAOYSA-N 300.358 3.155 0 40 DGAB S=C(NCc1ccc(-n2ccnc2)cc1)Nc1ccccc1 44884436 DMFQMLZTKZRWFL-UHFFFAOYSA-N 308.410 3.359 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccccc1Cl 44900530 JQAKINNSXWSMMK-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB CCc1noc([C@@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122730 FQIQNJTUYNYZRI-ZDUSSCGKSA-N 306.410 3.201 0 40 DGAB C[n+]1cc(Br)cc(-c2nc3ccc(Cl)cc3[nH]2)c1 226774377 JEEHHGYUYPHBKS-UHFFFAOYSA-N 323.601 3.470 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)NCCC2=CCCCC2)c1 40159440 IJRVKCKFGZOGEG-UHFFFAOYSA-N 314.429 3.122 0 40 DGAB CCC(C)(C)N(C)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 69770659 UEGFOZSCDGIDDL-MDWZMJQESA-N 314.429 3.239 0 40 DGAB CC(C)CCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42645972 YGHTYMXNPIGYKQ-UHFFFAOYSA-N 303.189 3.094 0 40 DGAB NC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)no2)c1 40108682 LKMMOLOMRROBAF-UHFFFAOYSA-N 322.324 3.085 0 40 DGAB COc1ccc(O[C@H](Cc2c(C)cccc2C)C(=O)O)cc1 225031619 ONGROMXJZOSLNC-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB O=C(C[C@@H]1CCCNCC1)N1CCC(c2ccccc2F)CC1 574917390 WJKCCYPLWABZCE-OAHLLOKOSA-N 318.436 3.312 0 40 DGAB O=C(NCc1ccco1)c1snnc1-c1ccc(Cl)cc1 225769110 XOSYTUUYUNEOMN-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CSc1ccccc1NC(=O)CN(C)c1ncccc1F 225592290 AFIJAOITWKCQMJ-UHFFFAOYSA-N 305.378 3.018 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)O)c1cccs1 195541846 MIVMXAPBJSWPRQ-XHDPSFHLSA-N 315.394 3.062 0 40 DGAB Cc1nc(COc2ccc(CNc3ccc(F)cn3)cc2)no1 96495331 RDHCABBRDJFMHN-UHFFFAOYSA-N 314.320 3.103 0 40 DGAB CCOC(=O)CCCOc1ccc(Br)cc1F 95733965 HNSSELSUFGSECC-UHFFFAOYSA-N 305.143 3.310 0 40 DGAB COc1ccccc1C[C@H](C)N(C)C(=O)Nc1nccs1 96433663 HGIOZDIRYRKSSM-NSHDSACASA-N 305.403 3.247 0 40 DGAB Cn1cnnc1CNc1ccc(-c2cccc(F)c2)c(F)c1 97371514 HDAPHFQTDIRDPH-UHFFFAOYSA-N 300.312 3.372 0 40 DGAB COCc1ccccc1NC(=O)N1CCS[C@@H](C(C)C)C1 96434002 HUGUGLJOHPOBAA-OAHLLOKOSA-N 308.447 3.438 0 40 DGAB CC[C@@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96524869 CQIYIBYSVHLNNL-IRXDYDNUSA-N 303.427 3.177 0 40 DGAB CCCc1ncc(C(=O)N[C@H](CC(=O)O)c2cccs2)s1 96479631 IGFTUZLPSSEFST-SECBINFHSA-N 324.427 3.103 0 40 DGAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1nccs1 96415470 PHTDKOYYSWZNNX-AAEUAGOBSA-N 304.419 3.392 0 40 DGAB Cc1ccc(NC(=O)Nc2cnn(C3CCOCC3)c2)cc1C 96104614 AQGCSIWDKVHFSW-UHFFFAOYSA-N 314.389 3.495 0 40 DGAB CC(C)N1CCC[C@@H]1c1cccc(-c2cncc(C(=O)O)c2)n1 257313754 UTZKNCDZBXYJMF-QGZVFWFLSA-N 311.385 3.387 0 40 DGAB C[C@@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1 253603704 KNCLSRWZFJXARD-CABCVRRESA-N 312.461 3.262 0 40 DGAB O=C(c1ccccn1)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257229070 FWPBAXSTRNDNAD-YTQUADARSA-N 321.424 3.180 0 40 DGAB CC(C)=CCC[C@@]1(C)C=Cc2c(cc(C)n(CC(=O)O)c2=O)O1 257225694 FHJCUQDJRCGOID-SFHVURJKSA-N 317.385 3.152 0 40 DGAB CO[C@H](CNC(=O)c1cccc(N(C)C)c1)c1cccc(F)c1 96388034 BFAQUELQRJBRBV-QGZVFWFLSA-N 316.376 3.009 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 71910924 INOPSCJSSUROCS-QOKQMOMRSA-N 306.431 3.220 0 40 DGAB Fc1ccc(F)c(CN2CCC[C@H](COc3ncccn3)C2)c1 1775995966 OUVQTHOUSPRDBS-ZDUSSCGKSA-N 319.355 3.046 0 40 DGAB COc1cccc(C(=O)N[C@H]2CCCc3sccc32)c1O 61367894 BXPJNTAYFIQGSI-LBPRGKRZSA-N 303.383 3.270 0 40 DGAB Cn1ncnc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 86188519 ZCJLDZZNSKFXHK-UHFFFAOYSA-N 324.228 3.465 0 40 DGAB C[C@]1(c2ccccc2)CN(C(=O)Cc2cccs2)CCO1 84673614 SEAJUSUBRBOBNR-QGZVFWFLSA-N 301.411 3.065 0 40 DGAB Cc1cccc(-c2nnc(SCc3cccc(F)c3)n2N)c1 532361 WTPZASYKPCOBHP-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB c1ccc2oc(-c3noc(COC[C@@H]4CCCO4)n3)cc2c1 88337725 ZIZQBGPBSSYINA-LBPRGKRZSA-N 300.314 3.178 0 40 DGAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccncc1 96099204 NFQJZJNBFGZZGU-UHFFFAOYSA-N 324.428 3.202 0 40 DGAB O=C(Nc1ccc(Br)cc1C(=O)O)c1ccccc1 13177600 DKTJIOPBCLFZCY-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB Cc1cc(C)c2nc(NC(=S)NC(=O)C(C)C)sc2c1 14257671 VHABZDBRKCXQFB-UHFFFAOYSA-N 307.444 3.382 0 40 DGAB CCCC(=O)Nc1ccccc1C(=O)Nc1c(C)n[nH]c1C 14404739 TXPZMAHISAQBGK-UHFFFAOYSA-N 300.362 3.017 0 40 DGAB O=[S@](C/C=C\C[S@@](=O)c1ccccc1)c1ccccc1 5217873 KXEPGWAOCGYHMU-COJDAZNPSA-N 304.436 3.158 0 40 DGAB Cc1ccccc1-c1nc2sc3c(c2c(=O)n1N)CCCC3 3151515 UXFQLNCJWAONDM-UHFFFAOYSA-N 311.410 3.026 0 40 DGAB CC(C)[C@@H]1CC[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@](C)(O)CC=C12 252505768 MSKFOQCDNOFJAT-QKRLRYPPSA-N 322.489 3.135 0 40 DGAB biogenic,in-vitro CNc1nnc(S[C@H](C)C(=O)c2c[nH]c3ccccc23)s1 7103065 JRXIQXNYLFMYGJ-MRVPVSSYSA-N 318.427 3.425 0 40 DGAB Cc1ccc2nc(C)c(NC(=O)c3ccc(C)c(C)c3)c(=O)n2c1 12180727 UBVUIPKYFMNEHW-UHFFFAOYSA-N 321.380 3.180 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nnc(Cc2cccs2)o1 13653515 QZCPEMNOIJACSF-UHFFFAOYSA-N 317.345 3.042 0 40 DGAB Cc1ccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c(C)c1 1163775803 YNOCLFPHLQSNDD-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB Cc1ccc(CNC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 40122219 QAUIKDMOOKVCEB-AWEZNQCLSA-N 307.802 3.330 0 40 DGAB COCCCC(=O)Nc1ncc(Cc2ccc(C)cc2)s1 40130962 WNKIEWBGRSDSSJ-UHFFFAOYSA-N 304.415 3.407 0 40 DGAB COc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3ncnc3N2)cc1 100706034 SZXYNZXUNHZHKJ-KRWDZBQOSA-N 322.343 3.482 0 40 DGAB CN(C)c1cc(C(=O)N2CCC[C@@H]2c2ccsc2)ccn1 40535822 MGLWPPGREKBCMM-CQSZACIVSA-N 301.415 3.186 0 40 DGAB Cc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1 100985886 XNRLFPSCORQYDF-INIZCTEOSA-N 307.332 3.177 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)c1 382603 JRRQRJDUHNBPJW-OQLLNIDSSA-N 312.394 3.458 0 40 DGAB O=C(Nc1cccc(-n2cnnc2)c1)c1ccc2ccccc2n1 33199834 OIZVQIJTTAYVDL-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB COc1ccc([C@@H](C)NC(=O)CCc2c(C)noc2C)cc1F 24313071 TXYLUMCGGILHQC-SNVBAGLBSA-N 320.364 3.249 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)cc1C 151186 LBCSTFAHELKIIS-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCc1ccccc1 579739 ORFOPOMYNMVIPZ-CYBMUJFWSA-N 303.789 3.466 0 40 DGAB C[C@H](Cc1cccs1)NS(=O)(=O)c1ccc(Cl)cc1 3211560 MEXULSOOJPESTM-SNVBAGLBSA-N 315.847 3.311 0 40 DGAB O=C(COC(=O)Cc1ccc(Cl)cc1)NC1CCCCCC1 3270592 VBZZIPDFYARIFN-UHFFFAOYSA-N 323.820 3.265 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F 4744945 RLRNIGHOFPEVMO-SMDDNHRTSA-N 315.410 3.081 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(C)C3=O 5557444 SQTMDZPUXFKPMN-MRXNPFEDSA-N 323.323 3.416 0 40 DGAB C[C@@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)NC1CC1 5885120 UFRILHGQABWQBN-MRVPVSSYSA-N 323.801 3.379 0 40 DGAB CC(=O)Nc1ccc(C(=O)COC(=O)c2ccc(C)s2)cc1 5975265 QKPMTFDDBXGEDJ-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB CCCOc1ccc(/C=C2\SC(=O)N(CCOC)C2=O)cc1 6880816 KGLLXUROWDDRIA-KAMYIIQDSA-N 321.398 3.158 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1OC 7053149 FCSNZOPJSHNMEW-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB C[C@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 7309557 QFFXOANKCHTSTR-GFCCVEGCSA-N 309.818 3.422 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)Sc2nncn2C2CC2)cc1 8749305 HYLPVBSPLMVROE-NSHDSACASA-N 316.430 3.295 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1cccc(F)c1)c1ccccc1 9156596 ZRMCXOJTBHYPAS-INIZCTEOSA-N 309.344 3.079 0 40 DGAB Cc1ccc(NC(=O)N2CCCC2)cc1NC(=O)N1CCCC1 9959910 GXNHWSRZOJJZKB-UHFFFAOYSA-N 316.405 3.250 0 40 DGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc[nH]c1=S 10306508 PYDYGRUPHYKIAG-UHFFFAOYSA-N 324.409 3.202 0 40 DGAB COc1ccccc1-c1nnn(Cc2ccc(Cl)cc2)n1 10337370 BEJSNKZIQLESSJ-UHFFFAOYSA-N 300.749 3.050 0 40 DGAB Cc1cccc2c(=O)n(CCCC(=O)Nc3ccccc3)cnc12 10745518 WATVYUHDXVKWQO-UHFFFAOYSA-N 321.380 3.124 0 40 DGAB COc1cccc(-c2nn3c(CC(C)C)nnc3s2)c1OC 11278586 GPGPKJTYMYAVKY-UHFFFAOYSA-N 318.402 3.069 0 40 DGAB CC(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1 12022820 NHYIBZLMBAELAQ-UHFFFAOYSA-N 305.381 3.235 0 40 DGAB COc1ccc(C2CCN(Cc3ccncc3)CC2)cc1OC 12113967 CFBMOTROPCPEHB-UHFFFAOYSA-N 312.413 3.478 0 40 DGAB CN(C)c1ccc(C(=O)NCCCOc2ccccc2F)cc1 12392014 JDDMSUVEROZOGP-UHFFFAOYSA-N 316.376 3.091 0 40 DGAB COCCNC(=O)c1cccnc1Sc1ccc(C)c(C)c1 12768950 BAXDUJLNBFMNAK-UHFFFAOYSA-N 316.426 3.226 0 40 DGAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnnn2n1 12884004 NWTKWAOXFQTVRT-QMMMGPOBSA-N 323.187 3.024 0 40 DGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@H]1c1ccccc1 12915789 SYNJEMDWHWWTMR-INIZCTEOSA-N 323.364 3.491 0 40 DGAB Cc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)C[C@@H](C)C2 13636319 PHTYVCWFFYSIMY-JTQLQIEISA-N 310.357 3.194 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(C)c(F)c2)nc1C 14021117 SHANGSVPYRNBCT-UHFFFAOYSA-N 322.361 3.328 0 40 DGAB O=C(COC(=O)c1ccoc1)Nc1ccccc1C(F)(F)F 16157064 BTEJJHWDQZHLNK-UHFFFAOYSA-N 313.231 3.094 0 40 DGAB Cc1ccnc(-n2c(=S)[nH]c3sc4c(c3c2=O)CCC4)c1 17053501 GALPCPUIVZIFIM-UHFFFAOYSA-N 315.423 3.302 0 40 DGAB CCc1ccc(NC2=NCC(=O)N2Cc2ccc(F)cc2)cc1 19522906 HDYXQUROVJXVFS-UHFFFAOYSA-N 311.360 3.198 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(N)c2)c1 20193846 FDBQHMGFUKYDKV-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=c1[nH]c2c(-c3cccc(F)c3)nnn2c2ccc(Cl)cc12 20848620 RMTHEFONEPBLOF-UHFFFAOYSA-N 314.707 3.030 0 40 DGAB COc1ccccc1NC(=O)CCN(C)Cc1ccccc1F 22198448 DNOBUEDTPZNATD-UHFFFAOYSA-N 316.376 3.295 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccc(-n3cccc3)cc2)c(C)[nH]1 22416672 WANPVJWYTXAKDU-UHFFFAOYSA-N 322.364 3.462 0 40 DGAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCC1 22524015 WGXXAICNMRKWNI-KRWDZBQOSA-N 318.461 3.063 0 40 DGAB Cc1nc(C2(NC(=O)CCc3ccsc3)CCCCC2)no1 23508181 CKZZNNPIJGMRGO-UHFFFAOYSA-N 319.430 3.348 0 40 DGAB O=C(Nc1ccc(Cl)cn1)c1ccc(CN2CCCC2)o1 27984179 ROOJJRZCAMWULG-UHFFFAOYSA-N 305.765 3.176 0 40 DGAB Cc1cc(NC(=O)NCc2ccnc(OC3CCCC3)c2)no1 31092332 WABATCGSASSEOC-UHFFFAOYSA-N 316.361 3.021 0 40 DGAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccccc1 32812812 RFRNMMZGMAQVBA-INIZCTEOSA-N 316.401 3.246 0 40 DGAB CCn1nc(C(C)C)cc1C(=O)NCCCOc1ccccc1 32815275 YEKGHCIYJVCKSO-UHFFFAOYSA-N 315.417 3.225 0 40 DGAB O=C(CCSc1nnc(NC2CC2)s1)Nc1ccccc1 32871180 PIFWTEATXGQGIS-UHFFFAOYSA-N 320.443 3.233 0 40 DGAB CC[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314154 YCEPQCUZTIRATE-GFCCVEGCSA-N 317.458 3.427 0 40 DGAB Cc1nc(COc2ccccc2)sc1C(=O)NCC(C)C 36107949 AVJSUWBIEODMPQ-UHFFFAOYSA-N 304.415 3.416 0 40 DGAB Cc1nc2n(c(=O)c1C)CN(C1CCCC1)CN2c1ccccc1 36125617 ODQBVYPQZFZDFQ-UHFFFAOYSA-N 324.428 3.171 0 40 DGAB CN(Cc1ccsc1)C(=O)Cc1ccc(-n2cccn2)cc1 36391798 SPYSAWOKISASHI-UHFFFAOYSA-N 311.410 3.135 0 40 DGAB COc1ccc(NC(=O)c2ccc3c(ccn3C)c2)c(OC)c1 40288434 KNFCJURLOSAUHI-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB O=C1N=C(O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]12 40402105 SOINPWLBNFOAHL-DIODGJHASA-N 309.752 3.357 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 43584225 SVBDSVXOELYYOQ-VIFPVBQESA-N 301.795 3.119 0 40 DGAB COc1ccc(C)cc1-c1csc(NC(=O)[C@H]2CCCO2)n1 44872805 ZTFZBMKHBMIMOM-CQSZACIVSA-N 318.398 3.245 0 40 DGAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@@H]1c1ccsc1 44940702 KYCOYUNLIBZEGA-CYBMUJFWSA-N 324.446 3.326 0 40 DGAB O=C1OCCN1c1cccc(CNc2nc3ccccc3o2)c1 44978833 LUMSIJKEWKEOMD-UHFFFAOYSA-N 309.325 3.397 0 40 DGAB O=S(=O)(CCN1CCC[C@H]1c1ccsc1)c1ccccc1 46088170 LALXIGIVGOFZCF-INIZCTEOSA-N 321.467 3.359 0 40 DGAB CCOC(=O)C1CCN(Cc2csc(C(C)(C)C)n2)CC1 47867252 NKAQIGANEMTFPR-UHFFFAOYSA-N 310.463 3.216 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@H]3c3ccccc3)cc12 48332631 FGFSWLCBUSGZQP-INIZCTEOSA-N 321.384 3.256 0 40 DGAB CC(C)C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48344924 CMLZZHMCJVUBBQ-IYBDPMFKSA-N 302.462 3.437 0 40 DGAB CC(C)c1nn(-c2ccccc2)cc1CNC1CCC(O)CC1 48686524 NOPFKKIDMPWLMW-UHFFFAOYSA-N 313.445 3.389 0 40 DGAB C[C@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 49590361 PNLBFGDBGWVKLS-AWEZNQCLSA-N 312.413 3.125 0 40 DGAB CCCn1nc(C(=O)N(C)c2ccc3ccccc3c2)ccc1=O 50034122 RGUNYOJFGHKHML-UHFFFAOYSA-N 321.380 3.083 0 40 DGAB Cc1cc(C(=O)N[C@@H](CN(C)C)c2ccccc2)c(C)s1 52556361 HSPYBSBIOQXGMA-INIZCTEOSA-N 302.443 3.398 0 40 DGAB Cn1c([C@H]2CCCCN2C(=O)c2ccccn2)nc2ccccc21 54666067 ATPVLOOAZQSSRM-QGZVFWFLSA-N 320.396 3.336 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55945409 RROMGLLSXIGLHD-HOCLYGCPSA-N 318.348 3.081 0 40 DGAB C[C@H](NC(=O)NCc1ccccc1-n1ccnc1)c1ccccc1 56862271 ONRJDHUJROKHKT-HNNXBMFYSA-N 320.396 3.433 0 40 DGAB CC(=O)NC1(C(=O)N[C@H](C)c2ccccc2C)CCCCC1 58244102 JNJLHNYHJMNZIW-CQSZACIVSA-N 302.418 3.011 0 40 DGAB COCc1nc(C(=O)N2CC[C@@H](C)c3ccccc32)cs1 58405688 NGTNGZLURXXGHT-LLVKDONJSA-N 302.399 3.444 0 40 DGAB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(C)on2)o1 65552450 UXVYYCBCSQGSFZ-MRXNPFEDSA-N 324.384 3.228 0 40 DGAB CCCC(=O)Nc1cccc(NC(=O)NCC[C@H]2CCCO2)c1 65563943 IRWGCUORPNJYSI-OAHLLOKOSA-N 319.405 3.116 0 40 DGAB Cc1oc(-c2ccco2)nc1CC(=O)NCCc1ccccc1 65594098 PHSUSBFXJDPYSC-UHFFFAOYSA-N 310.353 3.144 0 40 DGAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66772062 PQAFVVABFIPOHP-HNNXBMFYSA-N 301.386 3.312 0 40 DGAB CN(C)c1ccc(NC(=O)c2ccn(-c3cccc(F)c3)n2)cc1 67295053 RSIQPBPQASVUSR-UHFFFAOYSA-N 324.359 3.330 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)o1 68518468 NJTTYOMOWAJCNN-SECBINFHSA-N 318.377 3.125 0 40 DGAB Cc1n[nH]cc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 69397207 RTHNGMPTIRJHJU-VXGBXAGGSA-N 324.211 3.445 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n1 69632760 ASYDMXJPFPRSEV-KRWDZBQOSA-N 322.412 3.459 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)cn1 71796885 VXSGCNFRJDMRTJ-INIZCTEOSA-N 322.368 3.052 0 40 DGAB O=c1ccn(C2CC2)c(SCCCOc2ccccc2)n1 71858610 MPAFSORQZQQTIR-UHFFFAOYSA-N 302.399 3.139 0 40 DGAB CCN(C(=O)CCOC)[C@H](c1ccc(C)cc1)c1cccnc1 71903070 WVBGTOHFMUADEN-LJQANCHMSA-N 312.413 3.364 0 40 DGAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@@H](C)c1nccs1 72203939 SEXLBIWUBJNGCC-RYUDHWBXSA-N 311.451 3.145 0 40 DGAB CCOc1ccc(Cl)cc1-c1noc(C2CCNCC2)n1 72209120 CFFYRGMGGITGNF-UHFFFAOYSA-N 307.781 3.256 0 40 DGAB C[C@@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)C1CC1 72344538 HRZXHVHVOGNQLQ-MRXNPFEDSA-N 314.473 3.246 0 40 DGAB CS[C@H]1CCC[C@@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1 72896491 LFQOHPIILKAARM-HOTGVXAUSA-N 320.458 3.044 0 40 DGAB CC(=O)CCCSc1nnc(COc2cccc(C)c2)o1 73923331 TWAGXTMIEMTNIN-UHFFFAOYSA-N 306.387 3.418 0 40 DGAB CCN(Cc1ccncc1)CC1CCN(c2ccccn2)CC1 76109001 FSWONWYDFWMPDK-UHFFFAOYSA-N 310.445 3.215 0 40 DGAB CN1C(=O)c2ccccc2N[C@H]1c1cnc2ccc(Cl)cn12 78997971 HBPKFJZNJWIOBK-OAHLLOKOSA-N 312.760 3.184 0 40 DGAB Cc1cc2c(cc1C)O[C@@H](C(=O)Nc1cnn(C(C)(C)C)c1)C2 79788780 UXSQXYQBSJIIBL-MRXNPFEDSA-N 313.401 3.197 0 40 DGAB CC(C)[C@H]1CN(C(=O)CCc2ccncc2)c2ccccc2N1 81792918 CZFBMOVCHVLOHI-QGZVFWFLSA-N 309.413 3.498 0 40 DGAB O=C(NC1CCCCCC1)N1CCC(N2CCCCC2)CC1 84544045 VYHHGHXFIRZRKB-UHFFFAOYSA-N 307.482 3.369 0 40 DGAB Cc1cc(F)cc(N[C@H](C(N)=O)c2ccc(O)c(Cl)c2)c1 88613692 YMYWWIIUBDWKGN-AWEZNQCLSA-N 308.740 3.132 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)c1ccccc1O 89522409 HXFZERDDQAKRRE-UHFFFAOYSA-N 307.353 3.447 0 40 DGAB Cc1nn(C)c(C)c1CN[C@@H]1CCN(c2cccc(Cl)c2)C1 95990137 UOVXMLIUFUHOAB-OAHLLOKOSA-N 318.852 3.059 0 40 DGAB Fc1cc(-c2noc([C@H]3CCn4cncc4C3)n2)cc(F)c1F 96009451 JGTUMRKVBTYUSX-QMMMGPOBSA-N 320.274 3.080 0 40 DGAB c1c2c(nn1CC1CC1)[C@@H](CNCC1CCCCC1)OCC2 96044379 OTNUVCSDEAXGLZ-QGZVFWFLSA-N 303.450 3.077 0 40 DGAB CC[C@@H]1N(Cc2ccc(C)s2)CCC[C@]12CCC(=O)N2C 96052417 JCONYAJSCQCLMQ-RDJZCZTQSA-N 306.475 3.422 0 40 DGAB Cc1cccc(CN2CC[C@]3(CCN(c4ccccn4)C3)C2=O)c1 96159598 YKELURIHJGZTSG-HXUWFJFHSA-N 321.424 3.019 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)c2csc(COC)n2)C1 96432358 CTVBFAMMUQZPGD-WDEREUQCSA-N 314.476 3.036 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1ccccc1OCC1CC1 96435197 PAPZNPINVWKRQD-CQSZACIVSA-N 304.390 3.118 0 40 DGAB CCc1ncc(CN(C)C(=O)c2cccnc2NC(C)C)s1 96436440 GDYYAPIAZUUEDD-UHFFFAOYSA-N 318.446 3.193 0 40 DGAB Cc1csc([C@H](C)NC(=O)N2CCS[C@@H](C(C)C)C2)n1 96439753 DVTSJENEBPXPRW-NWDGAFQWSA-N 313.492 3.296 0 40 DGAB Cc1cc(C(=O)N(c2cccc(F)c2)C2CCCC2)n(C)n1 96466116 UGAYLLPCQSIRAK-UHFFFAOYSA-N 301.365 3.457 0 40 DGAB Cc1noc(C)c1[C@H](C)CC(=O)N1CCSc2ccncc21 96484090 GGGYCLPUAGTDCS-SNVBAGLBSA-N 317.414 3.319 0 40 DGAB CC(C)(C)C1CCC(CNCC2CCS(=O)(=O)CC2)CC1 97106906 TTZYIBHJAZJJOI-UHFFFAOYSA-N 315.523 3.253 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97234448 BLJQFKPTUVGTGJ-QMTHXVAHSA-N 317.393 3.012 0 40 DGAB C[C@@H](C(=O)N(C)C1CCCCC1)N(C)Cc1cccc(F)c1 98068246 YEZWHLKULZFBPN-AWEZNQCLSA-N 306.425 3.437 0 40 DGAB O=C(O)Cc1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98210726 PCRWHOPHUPAZKY-VIFPVBQESA-N 318.169 3.117 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 101275130 VJWLGLFPYRSYJH-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCC[C@@H]1C)[C@H]2C(=O)O 102308814 GUOHAOSSSNLHLQ-QPHFJENPSA-N 305.418 3.081 0 40 DGAB CC(C)c1nc(N(C)C)nc(N2C[C@H](C)[C@@H]2c2ccccc2)n1 108367449 VYUGGJDZSWQGNT-DZGCQCFKSA-N 311.433 3.258 0 40 DGAB O=C(O)[C@@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 140151992 BDLDVMZWIHUIMJ-VXGBXAGGSA-N 316.382 3.250 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNc1cccc(NS(C)(=O)=O)c1 187313149 UDBRROZCJBUMJS-BBRMVZONSA-N 308.447 3.462 0 40 DGAB COC1(CN[C@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 188255425 XSFYHRLZONTXIS-ZWKOTPCHSA-N 303.446 3.282 0 40 DGAB Cc1ccc(NC(=O)C(=O)N(C)C2CCC(C)(C)CC2)c(C)n1 190589977 GSCBERAUDRRTBV-UHFFFAOYSA-N 317.433 3.064 0 40 DGAB CC(C)OCCC[S@](=O)c1cc2c(cc1Cl)OCCO2 195579603 UGRJFWVJCJUVPJ-FQEVSTJZSA-N 318.822 3.034 0 40 DGAB COc1ccc(O[C@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225034494 XVEMHQBFYNCMBB-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1ccc(C[C@H](Oc2ccccc2Cl)C(=O)O)cc1 225101572 QIJKCGPNCDSXBD-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225130915 IZVMMCDXABGCMC-HOTGVXAUSA-N 318.461 3.427 0 40 DGAB Cc1ccc(-n2cnc(C(=O)NCCc3ccccc3)c2)cc1 227116342 OJXTVUSWYHOLCU-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB CN(C(=O)[C@@H]1CCOC1)c1ccc(C(F)(F)F)cc1Cl 252500114 SNFNZCKWDYJOQJ-MRVPVSSYSA-N 307.699 3.358 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@H](c3ccn[nH]3)C2)c1 257244095 IJVDBKVBCNSQBX-INIZCTEOSA-N 310.445 3.390 0 40 DGAB O=C(c1ccsc1)N1CCn2c(-c3cccs3)cnc2C1 306140542 UWXPHQGIOFIVKO-UHFFFAOYSA-N 315.423 3.329 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710363 ZJRBQQGGZIUXOW-LMPOIIKSSA-N 322.493 3.402 0 40 DGAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)[C@H]1C 529527722 QOGWAMGLYUFAGF-AZGDMVHKSA-N 314.429 3.195 0 40 DGAB C[C@@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCO3)C1 531039537 BCASQWHAXOKNCA-HXUWFJFHSA-N 307.393 3.425 0 40 DGAB CCn1c(S[C@@H]2CCC(C)(C)C2)nnc1-c1cnccn1 566207970 GVTLTFACLDWXNQ-LLVKDONJSA-N 303.435 3.426 0 40 DGAB CC[C@@H](CO)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 584908780 GZIXZDYIATXJGX-GUYCJALGSA-N 301.361 3.050 0 40 DGAB CCc1ccc(C2=Nn3c(nnc3-c3ccco3)SC2)cc1 7238893 IRNBDABONJFICJ-UHFFFAOYSA-N 310.382 3.459 0 40 DGAB COC(=O)c1cc(CN(C)Cc2ncc(C(C)(C)C)o2)oc1C 58562879 MZNOLVBYMIHEIP-UHFFFAOYSA-N 320.389 3.292 0 40 DGAB CCN1CCC[C@@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 69348027 YHSWINKKEOYAAY-GOSISDBHSA-N 302.462 3.343 0 40 DGAB COc1cc(CNCc2ccc(F)c(F)c2)cc(OC)c1OC 172158 IPPWJESKTDEBME-UHFFFAOYSA-N 323.339 3.280 0 40 DGAB O=C1C[C@@H](Sc2ccc(F)cc2)C(=O)N1c1ccccc1 100567131 PIIDYJWIQCUCFF-CQSZACIVSA-N 301.342 3.250 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccc(F)cc2)cc1 7382624 ZNQPRFURFMQUIJ-LLVKDONJSA-N 300.333 3.467 0 40 DGAB Cc1ccc2oc(C(=O)N3CCOc4ccccc4C3)cc2n1 69896516 YLIXPXFWZXLTTD-UHFFFAOYSA-N 308.337 3.171 0 40 DGAB O=C(CSc1nc(-c2ccco2)n[nH]1)c1ccc(F)cc1 285722 JOGNISFNWGQIPK-UHFFFAOYSA-N 303.318 3.179 0 40 DGAB COc1ccc([C@H](C)N(C)C(=O)Cc2c(C)noc2C)cc1 29105753 GNDIVRIUJADACW-LBPRGKRZSA-N 302.374 3.062 0 40 DGAB OC[C@H](CNc1nc2ccccc2o1)Cc1ccc(F)cc1 51991931 YEIVFIHBEYTORX-ZDUSSCGKSA-N 300.333 3.230 0 40 DGAB CSC[C@@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 80421617 XFYJVHUOJWDAGQ-MFKMUULPSA-N 313.513 3.290 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)NCCCN1CCCCCC1 52499582 LXYBCDNYBARVCS-OAHLLOKOSA-N 323.506 3.244 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(C)c(C)c1 2626865 GRFDYWOHYWMEKE-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1cc(C)on1 58515315 QNHDTMYYOCPROK-AWEZNQCLSA-N 315.373 3.231 0 40 DGAB COc1ccc(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)cc1 426435 SSUFUHJHQMDHCJ-ZDUSSCGKSA-N 323.400 3.060 0 40 DGAB Cc1ccc(C)c(-c2csc(NC(=O)c3cnccn3)n2)c1 2643305 XLAHYWFATYBEAX-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB COc1cccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1OC 28241649 ZOJDLOAQFKJDJV-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB O=S(=O)(NCCCc1ccccc1)c1ccc(Cl)cc1 2746819 AUDNNKSUIHOIDI-UHFFFAOYSA-N 309.818 3.251 0 40 DGAB CC1CCN(C(=O)CSCc2noc3c2CCCC3)CC1 75092236 UZUALURZGKBTKT-UHFFFAOYSA-N 308.447 3.045 0 40 DGAB CC1CCN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213717 SQZMIYJHRNBYLK-BMFAXAFESA-N 309.494 3.311 0 40 DGAB CC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1C 995305 BCHVWKJGRIJTOZ-VMPITWQZSA-N 304.346 3.445 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCc1nc2ccccc2[nH]1 104741837 AXNHBEJFIUUHHC-SOUVJXGZSA-N 311.429 3.438 0 40 DGAB CC(C)[C@H](NC(=O)c1cccc(NC(N)=O)c1)c1ccccc1 23773021 MWAWETKWKSSNQY-INIZCTEOSA-N 311.385 3.304 0 40 DGAB COc1ccc(-c2nc(CSc3nnc(C)s3)no2)cc1 24045852 NBDZUDZWMDQZNU-UHFFFAOYSA-N 320.399 3.197 0 40 DGAB O=P(O)(O)[C@@H](NCc1ccccc1)c1ccc(Cl)cc1 65090417 URHPWORLJYZZLJ-CQSZACIVSA-N 311.705 3.306 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)N1CCCc2ccccc21 24688947 QMACLGJATOXCAR-UHFFFAOYSA-N 323.392 3.370 0 40 DGAB CC[C@H](Nc1ccc(C(C)=O)cc1)C(=O)Nc1cc(C)on1 24774914 SNCHDGMPIMSJPD-AWEZNQCLSA-N 301.346 3.015 0 40 DGAB CC(C)c1nc(N(C)C)nc(N2C[C@@H](C)[C@@H]2c2ccccc2)n1 108367452 VYUGGJDZSWQGNT-UKRRQHHQSA-N 311.433 3.258 0 40 DGAB COCCCNC(=O)Nc1cccnc1Oc1ccccc1 58157191 NVMKSEKJBBFQHB-UHFFFAOYSA-N 301.346 3.032 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccco2)c2cnn(C(C)C)c2n1 44892096 BJQAQLMQWUFCHJ-UHFFFAOYSA-N 312.373 3.186 0 40 DGAB Cc1cccc(OCCN(C)C(=O)c2cc(C3CC3)on2)c1 58328561 RVPUADGMGCOBCY-UHFFFAOYSA-N 300.358 3.011 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2N2CCCC2)cc1 58356245 BPMYETQPEVPCEJ-UHFFFAOYSA-N 308.425 3.454 0 40 DGAB c1cc2c(cc1CSCc1noc(C3CC3)n1)OCCO2 89807057 WXOFMOZQQJGCMU-UHFFFAOYSA-N 304.371 3.152 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1CCc2[nH]ncc2C1 89826028 MMBDIYBLUCFLFG-SJLPKXTDSA-N 324.428 3.108 0 40 DGAB Cc1ccccc1C(=O)NCc1ccc(Cn2cccn2)cc1 16302046 FVOZAGWNVOFTDW-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CCSCC1 49213378 WUUYVIMNXROLSH-JTQLQIEISA-N 301.864 3.396 0 40 DGAB Cc1[nH]ncc1C(=O)Nc1ccc2nc(-c3ccco3)[nH]c2c1 64300615 SZTQLRREOHMCHR-UHFFFAOYSA-N 307.313 3.107 0 40 DGAB CC(C)c1ccc(-n2nnnc2S[C@@H]2CCCCC2=O)cc1 5217108 CJQBIPODKCJRIM-OAHLLOKOSA-N 316.430 3.390 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccn2)C[C@H](c2ccsc2)O1 89936983 PGIFTWFAFZHRRA-DGCLKSJQSA-N 303.387 3.137 0 40 DGAB CC[C@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1noc(C)n1 89947994 UGVDLXHEQXSHAT-RISCZKNCSA-N 309.410 3.073 0 40 DGAB CCN(C(=O)CSc1ncn[nH]1)c1cccc2ccccc12 6498429 CEFFLKJSTJCDQN-UHFFFAOYSA-N 312.398 3.103 0 40 DGAB NC(=O)c1ccc(OCc2cccc(Br)c2)cc1 14344452 WNYIDDKTEYNPSM-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB C[C@H]1CCCCN1c1nc2sc3c(c2c2ncnn12)CCC3 5573851 QHRFDOBSRGOUOK-JTQLQIEISA-N 313.430 3.207 0 40 DGAB COc1cc(F)cc2sc(NC(=O)c3cnc(C)s3)nc12 69516294 FCECVLNAPWEVFW-UHFFFAOYSA-N 323.374 3.461 0 40 DGAB O=C(CN1CCc2ccccc21)Nc1ccc(OC(F)F)cc1 6820480 AIOWELNXRVLYFP-UHFFFAOYSA-N 318.323 3.289 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@H](C)C1CC1 25771998 GAWMPFYRSUUXLF-SNVBAGLBSA-N 301.365 3.157 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 69899635 YQSNUSKKFILQDW-MRXNPFEDSA-N 317.820 3.251 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)n[nH]1 84110637 MYTCGVKGBPZLQS-ZDUSSCGKSA-N 316.405 3.158 0 40 DGAB CCc1csc([C@@H]2CCCN(c3cnnc(O)c3Cl)C2)n1 97047788 HLXKMOIIZCUSRP-SECBINFHSA-N 324.837 3.239 0 40 DGAB CC[C@H](NC(=O)NCC[C@H]1CCCCO1)c1c(C)noc1C 97055271 IIUCSIBSHPBTLQ-KGLIPLIRSA-N 309.410 3.001 0 40 DGAB Cc1cc(Sc2nnc(-c3ccncc3)n2C2CC2)nnc1C 97097190 SHRXSBCBSDRYMR-UHFFFAOYSA-N 324.413 3.233 0 40 DGAB CCCOc1ccc(CNCc2c(C)n[nH]c2C)cc1OC 97159172 YIICGTOPTZZOKY-UHFFFAOYSA-N 303.406 3.114 0 40 DGAB CCc1cnccc1C(=O)N[C@H](c1ccn(C)c1)C(F)(F)F 97110756 DGKIYNMOVUUIKR-CYBMUJFWSA-N 311.307 3.016 0 40 DGAB CC(C)c1n[nH]c(=S)n1CCNC(=O)Nc1cccc(F)c1 72305994 OKVNAACOUXAHRG-UHFFFAOYSA-N 323.397 3.025 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2)c1 72329206 CQEFYVBHCFRCPB-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB Cn1cnc2cc(NC(=O)c3cccc4c3ccn4C)ccc21 79491976 QPHZNTMQCUNYEP-UHFFFAOYSA-N 304.353 3.317 0 40 DGAB CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@]12CCc1ccccc12 79726330 JWDDUXAUORVTHG-UZLBHIALSA-N 321.424 3.015 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1F 21596247 FTZSEMHUMVAJFR-UHFFFAOYSA-N 318.373 3.270 0 40 DGAB CCC[C@@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 95392608 OVRAQZJKOKFCDK-ZJUUUORDSA-N 324.475 3.161 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(C)n1 28251550 MAEVRSBQOCLXDB-HNNXBMFYSA-N 322.405 3.107 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CCn1c(C)cc(O)cc1=O 1547200974 QFYADWGWBHAAAS-UHFFFAOYSA-N 300.333 3.034 0 40 DGAB CC(C)c1nnc2sc(-c3cc(-c4cccs4)[nH]n3)nn12 31808036 FDYGWPOZRMZGSS-UHFFFAOYSA-N 316.415 3.428 0 40 DGAB Cc1cc(Br)ncc1CNC(=O)OC(C)(C)C 72222949 XBIGWQPKITYFKA-UHFFFAOYSA-N 301.184 3.177 0 40 DGAB CCOc1ncc[nH]c1=N[C@H](c1cccc(C)c1)c1ccccn1 541899347 IDGZXUVALOMGGJ-QGZVFWFLSA-N 320.396 3.202 0 40 DGAB Cc1nc(N)c2c(C)c(C(=O)N3C[C@H](C)CC[C@H]3C)sc2n1 1565995862 BHHFQOUAUTYSGR-RKDXNWHRSA-N 318.446 3.151 0 40 DGAB CCCCN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216606 VPRYVECOXSEGBR-GOSISDBHSA-N 316.493 3.161 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCCCCC1)[C@@H]2C(=O)O 225745516 HUDUFLMCJZOISQ-WMHQRMGPSA-N 305.418 3.082 0 40 DGAB CC(C)(C)CN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225486875 PTIWJEBMJLVREE-AWEZNQCLSA-N 306.381 3.403 0 40 DGAB biogenic,in-vitro CCCC[C@@H](CC)CNC(=O)COc1ccc2nccnc2c1 199420936 LAHFTRJOOAPZOW-CQSZACIVSA-N 315.417 3.341 0 40 DGAB CCSc1nnc(NC(=O)Cc2ccc(C)cc2C)s1 223681436 ZBYKPLPCIBXTDU-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB COc1ccc(NC(=S)NCc2ccncc2)c2cccnc12 225335178 LMCRVSQXVPMJES-UHFFFAOYSA-N 324.409 3.125 0 40 DGAB CCOc1ccccc1C[C@H](Oc1ccccc1OC)C(=O)O 225104812 LCJUYXRDCBZGAF-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB COc1ccc(C(=O)NC2CC2)cc1COc1ccccc1C 224094872 MNBLORFAGOLNCJ-UHFFFAOYSA-N 311.381 3.475 0 40 DGAB Fc1ccccc1CSCCNC(=S)Nc1cccnc1 225414727 SWOKVMBOWZOQIE-UHFFFAOYSA-N 321.446 3.441 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccnc1 225585071 QOVGJKXGQKICOT-HNNXBMFYSA-N 306.479 3.023 0 40 DGAB CC(C)(C)c1nc(CC(=O)NC[C@H]2Cc3ccccc32)cs1 96403264 MSIFXXGKGUJXBD-CYBMUJFWSA-N 314.454 3.439 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(Cl)cc1Br 96476197 KCUBIWPBIIFGOH-ZETCQYMHSA-N 321.602 3.259 0 40 DGAB CN(C[C@H]1CCOC1)C(=O)NCC1(Cc2ccccc2)CCC1 96465889 FOPUABOBXSQOOX-QGZVFWFLSA-N 316.445 3.077 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccncc3)c2C)c1 90065073 SWYZHDPFCVYHJK-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CC[C@H](C)n1ccc(NCc2cn(C)nc2C(F)(F)F)n1 256049912 BYOYMWWPBLXKFS-VIFPVBQESA-N 301.316 3.219 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3cnccn3)C2)c1 257248849 JFMSYOCOTBTENN-QGZVFWFLSA-N 322.456 3.456 0 40 DGAB Nc1nccc([C@@H]2CCCCN2Cc2ccc(F)c(F)c2)n1 257261314 LGRQDDCHIXNJNK-HNNXBMFYSA-N 304.344 3.064 0 40 DGAB Cn1nccc1C(=O)N1CCC(F)(c2cccc(Cl)c2)CC1 252490020 KHMRQUIJFCTKFV-UHFFFAOYSA-N 321.783 3.175 0 40 DGAB Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3cccs3)C2)cn1 257325387 WSSVCRONQMCSRD-INIZCTEOSA-N 314.454 3.475 0 40 DGAB Cc1ccc(NS(=O)(=O)Cc2noc3ccccc23)cc1F 96124212 VUGJWWQBBFASIU-UHFFFAOYSA-N 320.345 3.217 0 40 DGAB CC(C)[C@@]1(C)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O 63887324 MULYTXBUVNDZSR-MRXNPFEDSA-N 321.446 3.267 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)Cc2ccc(F)cc2)c1C 65531675 SKSWYDSZCSKYBV-UHFFFAOYSA-N 316.376 3.047 0 40 DGAB COCCCCC(=O)N[C@H](c1ccc(F)cc1)C(F)(F)F 71911051 VORSCPXKZORGMR-CYBMUJFWSA-N 307.287 3.362 0 40 DGAB Cn1c(SCc2ccccc2F)nnc1-c1ccncc1 525326 FJQVFLJGNPGBKO-UHFFFAOYSA-N 300.362 3.309 0 40 DGAB CCn1cc(C(=O)NC2(c3cccc(OC)c3)CCCC2)cn1 12155318 NKKYSSADOSICLM-UHFFFAOYSA-N 313.401 3.111 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)Cc2ccccc2C)c1 13668732 VCDYSHASSZJFCU-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB O=C(Nc1ccc2nsnc2c1)c1cc(=O)c2ccccc2o1 15841372 GGYPHLPSTXJBOP-UHFFFAOYSA-N 323.333 3.050 0 40 DGAB CN1CC[C@H](c2ccccc2)[C@@H]2[C@H]1CCCCN2C(=O)C1CC1 19590175 WYYUJDWRQOAQLC-GUDVDZBRSA-N 312.457 3.265 0 40 DGAB CC(=O)Nc1ccc2cc(Br)ccc2c1[N+](=O)[O-] 205186538 VLPCMJUXIVYJAU-UHFFFAOYSA-N 309.119 3.469 0 40 DGAB COc1ccc(CCn2nnc(-c3ccc(Cl)cc3)n2)cc1 31652340 HPKNRIRDVBSKSI-UHFFFAOYSA-N 314.776 3.245 0 40 DGAB Nc1ccc(NC(=O)c2ccc(F)cc2)c(Br)c1 36738591 CAQPQZCNQJLYEU-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB COc1cccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c1 1427545 OWGCXBOVKWSXOC-AWEZNQCLSA-N 322.316 3.243 0 40 DGAB O=C(COCC1CC1)Nc1nc(-c2c(F)cccc2F)cs1 40108800 LZHKVCHFRFJPJP-UHFFFAOYSA-N 324.352 3.453 0 40 DGAB C[C@]1(C(=O)NCCOc2cccc(Cl)c2)CC1(Cl)Cl 40108397 LZHAEWJKOIKPTB-GFCCVEGCSA-N 322.619 3.419 0 40 DGAB CCCCCC(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30503780 GOBVPUKQZXXDSU-HNNXBMFYSA-N 304.390 3.323 0 40 DGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)Cc1cccs1 15473794 PIOGYGGKPJGPLA-UHFFFAOYSA-N 316.426 3.005 0 40 DGAB O=S(=O)(c1cc(Cl)ccc1O)c1cc(Cl)ccc1O 152661 LYNCCKPDWATQNR-UHFFFAOYSA-N 319.165 3.237 0 40 DGAB COC(=O)c1c(-c2ccc(OC)cc2)csc1NC(C)=O 2889811 SQOARVXXJGMUHM-UHFFFAOYSA-N 305.355 3.169 0 40 DGAB O=c1c2ccc(Cl)cc2ncn1Cc1nc2ccccc2o1 31786761 AILKPCSLOYBBHH-UHFFFAOYSA-N 311.728 3.239 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2OC)cc1 7223421 MYGLBBZAAHKBRU-GFCCVEGCSA-N 300.358 3.143 0 40 DGAB C=CCOc1cccc(/C=C(\Sc2nnc(C)o2)C(=O)O)c1 7603536 HJMYLYYRCDJGQH-LCYFTJDESA-N 318.354 3.161 0 40 DGAB Cn1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)cc1=O 32397789 WFKIBSBDZDIJHZ-INIZCTEOSA-N 316.426 3.108 0 40 DGAB COc1ccc(CCSCCC(=O)Nc2cc(C)on2)cc1 32778796 HBAMPQRZFGVOOQ-UHFFFAOYSA-N 320.414 3.296 0 40 DGAB COc1ccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)cc1 29607505 AYCIWEZHMKEEEM-KBPBESRZSA-N 315.335 3.475 0 40 DGAB Cc1ccc(N2CCC[C@@H](SCc3noc(C)n3)C2=O)cc1 96433421 INCNEQLUENROOP-CQSZACIVSA-N 317.414 3.115 0 40 DGAB CN(CC(=O)Nc1nccs1)Cc1csc2ccccc12 52806020 SWIHIJSKANDHDA-UHFFFAOYSA-N 317.439 3.428 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](N(C)c3ccccc3)C2=O)cc1 546337 CJJKAUOIGYHAKK-KRWDZBQOSA-N 308.381 3.017 0 40 DGAB C[C@@H](CNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 7309585 DTMSPGMMNIEYHN-NSHDSACASA-N 311.353 3.047 0 40 DGAB O=C(Nc1ccc(Cl)cc1)OC[C@@H]1[C@@H](CO)[C@H]2C=C[C@H]1C2 104200993 BAPOYRYFAYJTIF-GVARAGBVSA-N 307.777 3.319 0 40 DGAB O=c1[nH]c2ccc(-c3csc(NC4CCCC4)n3)cc2[nH]1 22459426 PXZLXZVABSFGPE-UHFFFAOYSA-N 300.387 3.334 0 40 DGAB Cc1ncsc1CNC(=O)COc1ccc2ccccc2c1 104464272 BCMKVCZJPUONNS-UHFFFAOYSA-N 312.394 3.300 0 40 DGAB Cc1ccc(C)c(C(=O)[C@H](C)Sc2nc(C)cc(N)n2)c1 23106329 YDRUPUZDIBJWOQ-LBPRGKRZSA-N 301.415 3.348 0 40 DGAB CC[C@@H](C)c1cc(Cl)ccc1O[C@@H]1CN[C@H](C(=O)OC)C1 42783140 ZPUKFHMHRAPVIF-OSMZGAPFSA-N 311.809 3.136 0 40 DGAB CC[C@@H](Nc1ccc(C(C)=O)cc1)C(=O)Nc1cc(C)on1 24774905 SNCHDGMPIMSJPD-CQSZACIVSA-N 301.346 3.015 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)cc1F 12548854 QQPFMODJYBUCSY-UHFFFAOYSA-N 314.360 3.223 0 40 DGAB O=C(CCC1CCCC1)Nc1ccccc1N1CCOCC1 12543827 CKRCMBZYTKYEQA-UHFFFAOYSA-N 302.418 3.432 0 40 DGAB Cc1cc(C)nc(SCC(=O)NCC[C@@H]2C[C@H]3CC[C@H]2C3)n1 107336399 XEZOBMAKNOSYTA-SOUVJXGZSA-N 319.474 3.128 0 40 DGAB CN(C)CCN(Cc1ccncc1)Cc1ccnc2ccccc12 22913830 CZMFZTRTVYNYFR-UHFFFAOYSA-N 320.440 3.194 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2cccc(C)c2C)c1 1993433 FTIWFVDIFXTOHH-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=C(COC(=O)c1cc2c(F)cccc2s1)c1ccc[nH]1 10026604 LXDFFNAMCDCRFS-UHFFFAOYSA-N 303.314 3.408 0 40 DGAB O=C(NCc1ccco1)N(Cc1cccs1)C[C@@H]1CCCO1 44889906 FYTYPVICCOGDCC-AWEZNQCLSA-N 320.414 3.232 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1cc(C(C)C)ccc1O 58341380 MCECTLXEYKFYJA-UHFFFAOYSA-N 302.374 3.393 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CNCc1cccs1 3310803 AIDVQYKKEFQKCQ-UHFFFAOYSA-N 310.806 3.138 0 40 DGAB COc1ccc(S(=O)(=O)N(Cc2cccs2)C2CC2)cc1 12894030 VPSVFEZONJDJNF-UHFFFAOYSA-N 323.439 3.110 0 40 DGAB O=C(Cc1c(F)cccc1Cl)NCCOc1ccccc1 3429386 FBNIVMXPNVFNKH-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB CC(C)(C)c1ccc(=O)n(CN(C2CCCCC2)C2CC2)n1 66792545 FRODPWOPGCFYEN-UHFFFAOYSA-N 303.450 3.295 0 40 DGAB CC(C)CCC[C@@H](C)NS(=O)(=O)c1ccc(Cl)nc1 7787304 HUPFQNMHYDPTHB-LLVKDONJSA-N 304.843 3.228 0 40 DGAB Cn1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1 13005671 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Cc1noc(C)c1COc1cccc(C(=O)N[C@@H](C)C2CC2)c1 9532730 UXPXRWMEPBQAIQ-NSHDSACASA-N 314.385 3.399 0 40 DGAB C[C@H](OC[C@@H](O)CNCc1ccco1)c1ccc(Cl)cc1 9579359 KLNOGOPYBVDDRJ-WFASDCNBSA-N 309.793 3.161 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl 9061836 CUXOMJIZQBOLSR-UHFFFAOYSA-N 317.838 3.303 0 40 DGAB Cc1ccccc1C[S@](=O)[C@@H](C)C(=O)NC1CCCCC1 71858859 XJUJADPZYXDYRN-LHSJRXKWSA-N 307.459 3.081 0 40 DGAB COC(=O)NCc1ccc(NC(=O)c2cccc(C)c2C)cc1 72287089 CKUWBEYZJBSURN-UHFFFAOYSA-N 312.369 3.412 0 40 DGAB Cc1nnc(-c2ccccc2C(=O)O[C@H](C)Cc2cccnc2)o1 97056460 UVKWRBOILGEMGB-GFCCVEGCSA-N 323.352 3.228 0 40 DGAB O=C(O)[C@H](Cc1nnc(-c2cccs2)o1)c1ccccc1 72307353 OIXJMBWFEFCUAB-LLVKDONJSA-N 300.339 3.209 0 40 DGAB CCC[C@@H]1C[C@@H](C(=O)N(Cc2nnc(C)o2)C(C)(C)C)CCO1 97235997 FOFLHLSPAHBJST-UONOGXRCSA-N 323.437 3.100 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)NCCC[C@@H]1CCCCO1 97376693 SCENXJUGFPZAGB-RISCZKNCSA-N 309.410 3.001 0 40 DGAB COCCCCNC(=O)N(C)[C@H](C)c1nc2ccccc2s1 89913744 JSZVILAVNIPUDF-GFCCVEGCSA-N 321.446 3.425 0 40 DGAB C[C@@H](NCc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1 89905007 WDBWGKGXRJFJCF-GFCCVEGCSA-N 313.792 3.167 0 40 DGAB Cc1noc(C)c1[C@@H](C)CNC(=O)NC(C)(C)c1nccs1 95434972 QDXFGUGFKINEML-VIFPVBQESA-N 322.434 3.086 0 40 DGAB Cc1noc(CN(C)C2CCN(c3ccc(Cl)cc3)CC2)n1 95405156 JCAPURNVHTZMLR-UHFFFAOYSA-N 320.824 3.132 0 40 DGAB COc1ccc([C@H](C)NC[C@@](C)(O)c2cccs2)c(OC)c1 95422995 FUJLKBRMWQBHGC-YVEFUNNKSA-N 321.442 3.324 0 40 DGAB COc1cccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20141377 IIWQBXMOQLJHNP-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB O=C(NCC1(CO)CCCCC1)[C@@H]1C[C@H]1c1c(F)cccc1F 95966763 CLFIVTNAXIQFGS-CHWSQXEVSA-N 323.383 3.127 0 40 DGAB CO[C@H](CNC(=O)CC[C@H]1CCCO1)c1cccc(Cl)c1 76067415 AFZRPVGBDZJRNH-HUUCEWRRSA-N 311.809 3.103 0 40 DGAB CC(C)n1c(SCC(=O)c2cnn(C)c2)nc2ccccc21 78055806 JECQAFFMISBUTH-UHFFFAOYSA-N 314.414 3.326 0 40 DGAB C[C@@H](CNC(=O)CC[C@H]1CCCO1)c1nc2ccccc2s1 78714112 GNWIMKKXAKNHQY-QWHCGFSZSA-N 318.442 3.475 0 40 DGAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nc(C)ns2)c1 21175526 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CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 72850819 GZXXMTMZNVSNPE-ZDUSSCGKSA-N 301.390 3.282 0 40 DGAB C[C@H](c1ccccc1F)[S@](=O)Cc1nc(-c2ccco2)no1 78556225 CNSWJAVSMVPADJ-STFLBKPXSA-N 320.345 3.479 0 40 DGAB C[C@H](c1ccccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 72203778 RJJBZKVBRLYUMB-HUUCEWRRSA-N 319.449 3.379 0 40 DGAB Cc1ccc(-c2ncc(C(=O)O)c(N3CCCCC3)n2)cc1C 49469162 TZSOUIPMSDXRML-UHFFFAOYSA-N 311.385 3.449 0 40 DGAB CCCOc1ccc(NC(=O)C(C)(C)OC)c2cccnc12 225881754 KFIZDOMRWKFRDS-UHFFFAOYSA-N 302.374 3.387 0 40 DGAB CCOC(=O)c1sc(Nc2ccc(OC)cc2OC)nc1C 223452750 KJOGEDDGGUJBAC-UHFFFAOYSA-N 322.386 3.389 0 40 DGAB Cc1ccnc(NC(=S)N[C@H](C)CCc2ccccc2)n1 225175156 BIQFHJRSQKPNQF-GFCCVEGCSA-N 300.431 3.093 0 40 DGAB CC(=O)N1CCC2(CC1)CC(=O)c1cc(C(C)(C)C)ccc1O2 225818514 ZCWGSYWZUOQBLS-UHFFFAOYSA-N 315.413 3.330 0 40 DGAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccco3)C2)o1 49170540 NEWNPKZTRKCFBT-LBPRGKRZSA-N 313.332 3.458 0 40 DGAB biogenic,in-vitro Cc1cc(C(=O)N[C@H](c2cccnc2)C2CCOCC2)c(C)o1 225616986 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KPEXHMUQROAIAC-LBPRGKRZSA-N 303.333 3.032 0 40 DGAB C[C@@H]1CCCCN1Cc1ccc(NC(=O)c2cnn(C)c2)cc1 53720553 DKOIKYXKQADBBX-CQSZACIVSA-N 312.417 3.047 0 40 DGAB Fc1ccccc1CN1CCN(c2nc3ccccc3o2)CC1 22759340 KAHZJZKDYPUSCP-UHFFFAOYSA-N 311.360 3.289 0 40 DGAB COc1ccc(C(=O)COC(=O)c2ccc(F)cc2F)cc1 2726153 CFNUJBJTBUZGAM-UHFFFAOYSA-N 306.264 3.013 0 40 DGAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2)CC1 1399487 URPQMDBYKJOYOC-UHFFFAOYSA-N 305.381 3.130 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)Nc2cc(C)on2)c1 25065657 DEJSRPUGKHJZNL-AWEZNQCLSA-N 301.346 3.361 0 40 DGAB CCCSc1nc(N)c2c3c(sc2n1)CN(CC)CC3 23424091 FISIWBJDFDZCTH-UHFFFAOYSA-N 308.476 3.154 0 40 DGAB Cn1c(CNC(=O)c2cc3c(s2)CCC3)nc2ccccc21 12531941 DZRRPGZTWKPVLY-UHFFFAOYSA-N 311.410 3.054 0 40 DGAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1cccnc1)CO3 57099743 OAZXZEFOHANEMY-UHFFFAOYSA-N 322.364 3.157 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 67086873 HDIFVGQMEWOJOT-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB CC(=O)NCCC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 57361720 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66297138 LYAGBOZYQDWDPG-MCMMXHMISA-N 319.401 3.410 0 40 DGAB O=C(O)c1nc(Br)ccc1OCc1ccccc1 114191189 JTQMTNHKFYBXNP-UHFFFAOYSA-N 308.131 3.121 0 40 DGAB CN(C)C1(CNC(=O)CC(C)(C)c2ccccc2)CCCC1 67200124 AWEXHPJDQXJNGK-UHFFFAOYSA-N 302.462 3.345 0 40 DGAB CC(=O)Nc1ccc(C(=O)COC(=O)C2CCCCC2)c(F)c1 7091136 BZXYLGYIIUAAPM-UHFFFAOYSA-N 321.348 3.090 0 40 DGAB Cc1noc(C)c1CNC(=O)COc1cccc2ccccc12 67758178 XIPXVMLOTBQSIR-UHFFFAOYSA-N 310.353 3.140 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1CCOc1ccccc1F 7440835 IYUBIDQDHYESKE-UHFFFAOYSA-N 318.735 3.268 0 40 DGAB Cn1ccc2c(C(=O)N3CCCC[C@@H]3Cn3cccn3)cccc21 69970407 OPGRKYRLNSXLRP-OAHLLOKOSA-N 322.412 3.070 0 40 DGAB COc1ccc(-c2nc(CSCCn3cccn3)co2)cc1 89455341 YHCKBGUFNGBMIY-UHFFFAOYSA-N 315.398 3.480 0 40 DGAB NC(=O)NC1CCN(Cc2cc(-c3ccccc3)cs2)CC1 93051816 WDAFMMUKSGAINW-UHFFFAOYSA-N 315.442 3.048 0 40 DGAB OC1CCC(NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 71837462 AFYQQMCPYJPKGX-UHFFFAOYSA-N 305.809 3.123 0 40 DGAB CC1CCN(C(=O)NCCc2coc(-c3ccccc3)n2)CC1 71855118 PRRXQWDSWOOQKN-UHFFFAOYSA-N 313.401 3.326 0 40 DGAB Cc1ccccc1C[S@](=O)[C@H](C)C(=O)N(C)c1ccccc1 71858857 JRFANQGBFOJFAA-IVZQSRNASA-N 315.438 3.295 0 40 DGAB CC(C)c1ccc(-n2nnc(C(=O)Nc3ccccc3)c2N)cc1 19814218 WLMQNGOVGXRQBN-UHFFFAOYSA-N 321.384 3.225 0 40 DGAB O=C(NCCCn1ccnc1)/C(=C/c1ccco1)c1ccccc1 9668796 SFWXSYXOKUCINC-NBVRZTHBSA-N 321.380 3.223 0 40 DGAB O=C(C1CC1)N1CCC2(CC1)Cc1ncc(-c3ccccc3)n1C2 306143030 XRJGUPSRMLAKOX-UHFFFAOYSA-N 321.424 3.125 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1C[C@@H]1c1ccccc1 75123056 UBMXCKYJBAOCPQ-NEPJUHHUSA-N 322.286 3.136 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)s1 75130497 ZQHAXAHTROWBNN-OAHLLOKOSA-N 317.458 3.313 0 40 DGAB CCn1c(NC(=O)CCc2ccncc2)nc2cc(F)ccc21 97107530 SXWFEPBZHDPCGM-UHFFFAOYSA-N 312.348 3.162 0 40 DGAB CCO[C@H]1C[C@H](N(C)Cc2nnc(CC)o2)C12CCCCC2 76040616 PYFJRJQTNFLOES-KBPBESRZSA-N 307.438 3.192 0 40 DGAB CCCCc1noc([C@@H](C)N[C@@H]2CCCc3c2cnn3CC)n1 76047050 DBAKDGRZWHNNNV-TZMCWYRMSA-N 317.437 3.357 0 40 DGAB COc1cccc([C@H](C)CC(=O)N2CC[C@@H](CSC)C2)c1 84606173 XBMTZBYNMDDAAW-ZIAGYGMSSA-N 307.459 3.400 0 40 DGAB CN(CCOCC1CC1)C(=O)Nc1cc(-c2ccccc2)on1 88390992 DKBBROAVWRNTJE-UHFFFAOYSA-N 315.373 3.232 0 40 DGAB CCO[C@H](C)C(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 79271313 UPBZTGMYSLMTKC-OAHLLOKOSA-N 305.418 3.098 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)N1C[C@H]2CC=CC[C@H]2C1 95961376 AAAGNWPNWQOEHH-XLAORIBOSA-N 312.457 3.459 0 40 DGAB CCc1nnc([C@H](C)N(C)Cc2ccccc2N2CCCC2)o1 95978475 NIGFKZITGDICPK-AWEZNQCLSA-N 314.433 3.425 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2cnc(C)s2)C1 89274927 YOAOEYRZLJXUQO-NEPJUHHUSA-N 313.492 3.267 0 40 DGAB CCOc1ccccc1CNC(=O)c1c(OC)cccc1OC 30757009 GZOYLQMAFTXRLZ-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc3c(c2)nc(C)n3C)cc1 120474423 VINVXYFRXBBDCA-UHFFFAOYSA-N 323.396 3.163 0 40 DGAB Cc1cccnc1[C@@H](NC(=O)c1noc2c1CCCC2)C(C)C 79358193 IIPJHHSDXOTEEX-HNNXBMFYSA-N 313.401 3.384 0 40 DGAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 72227505 YLGCKJATDXAZLX-CABCVRRESA-N 320.314 3.429 0 40 DGAB CCOc1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1 73743339 GTDSEUYOXIFQFL-UHFFFAOYSA-N 318.417 3.109 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccccc2)cnc1N(C)C 72218628 UAMVBEULCQYEPY-QGZVFWFLSA-N 309.413 3.433 0 40 DGAB C[C@H]1CCCCN1CCCCNC(=O)c1ccc2c(c1)CCO2 46989879 ZFXFDGTWSRQRJN-HNNXBMFYSA-N 316.445 3.006 0 40 DGAB CC(C)NC(=O)N(Cc1ccccc1)C[C@@H](O)c1cccs1 86991874 VZNDBQGIUJAQQH-OAHLLOKOSA-N 318.442 3.402 0 40 DGAB C[C@@H](CNC(=O)CCc1cscn1)Oc1ccc(Cl)cc1 81349638 SHIJMQTVDMMFAC-NSHDSACASA-N 324.833 3.313 0 40 DGAB CC(C)CN1CCC[C@]2(CCN(C(=O)Cc3cccs3)C2)C1 96215289 RDKZIIFTUFFKDX-SFHVURJKSA-N 320.502 3.261 0 40 DGAB Cc1csc([C@@H](OC(=O)c2cscn2)C(F)(F)F)n1 96456255 NCFIHWBIVGBIFI-SSDOTTSWSA-N 308.306 3.368 0 40 DGAB COc1cccc([C@H](N)c2nc(-c3ccccc3Cl)n[nH]2)c1 95533570 JUTVOCZAQKUZOY-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccnc1)[C@H](C)C2 97236789 OZFRJIGVWBPUHO-KDOFPFPSSA-N 309.413 3.465 0 40 DGAB CCO[C@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2ccccc2n1 96041992 JCLFUEFPJKWIEH-GBESFXJTSA-N 312.413 3.003 0 40 DGAB CCNC(=O)N1CCC(N[C@@H](CC)Cc2ccc(C)cc2)CC1 96492723 HAKLGSJYMYTKGI-KRWDZBQOSA-N 317.477 3.100 0 40 DGAB O=C(CC[C@H]1CCCO1)N[C@@H](c1cc(F)ccc1F)C1CC1 96432685 FRSSIJRCTSNOFU-CXAGYDPISA-N 309.356 3.491 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3c(F)cccc3F)CC[C@@]2(C)C1 257200151 ACEWDHDHXORCCP-ZLENFMNRSA-N 309.356 3.385 0 40 DGAB CC[C@@H](C(=O)NCc1cc(-c2ccco2)n(C)n1)c1ccccc1 85471324 ARBMXPSBMOGILP-MRXNPFEDSA-N 323.396 3.490 0 40 DGAB Cc1nc(NCCCO[C@@H]2CCOC2)c2c(C)c(C)sc2n1 674934123 SSXIXZHKPWZCFQ-CYBMUJFWSA-N 321.446 3.224 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(Oc3ccccc3)nc2)no1 44977373 XAFMVKUTBHPPHU-UHFFFAOYSA-N 323.352 3.443 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 50921380 FQUOQZKJTPDKDN-NSHDSACASA-N 313.756 3.339 0 40 DGAB O=C(OCCc1cccs1)c1cc(Br)c[nH]1 49417308 YTKVMQVPFYRFOT-UHFFFAOYSA-N 300.177 3.238 0 40 DGAB C[C@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 58157828 HZGZCYNIXAIDNU-JTQLQIEISA-N 308.303 3.393 0 40 DGAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)Cc1ccncc1 89587258 GXYLHXQOFNBGJQ-UHFFFAOYSA-N 312.417 3.428 0 40 DGAB CCN(CC)CCSc1nncn1-c1cccc(Cl)c1 96003425 HOPAMMDRCNGIDE-UHFFFAOYSA-N 310.854 3.355 0 40 DGAB Cc1noc([C@H](C)N(C)C(=O)Cc2cccc(C(F)F)c2)n1 580782599 JBDHZEYJMZOMPK-VIFPVBQESA-N 309.316 3.078 0 40 DGAB COc1cccc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)c1 430042 BTSGMINRAPXSBB-YBEGLDIGSA-N 309.321 3.048 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 5677949 PKADGZNRQLLJDA-GFCCVEGCSA-N 301.317 3.434 0 40 DGAB C[C@@H](OC(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 5633826 RVSASTZCGDQXSU-LLVKDONJSA-N 319.307 3.078 0 40 DGAB COc1ccc(-c2cc(CC(=O)N3CCC(C)CC3)no2)cc1 12866149 NBLDEYBTGXCIHR-UHFFFAOYSA-N 314.385 3.151 0 40 DGAB CCC[C@@H](C)NC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 12973239 INIPADBKIWCTRN-CQSZACIVSA-N 305.422 3.038 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 14220699 PVMQTTBANRSVRJ-CQSZACIVSA-N 319.426 3.352 0 40 DGAB CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 17250487 TUSGHQTZYMNUON-YESZJQIVSA-N 318.804 3.016 0 40 DGAB CC(=O)NC(Nc1ccccc1)(C(F)(F)F)C(F)(F)F 161705 MDICFEQKWOMVIC-UHFFFAOYSA-N 300.202 3.056 0 40 DGAB O=C(CSc1ccccc1)Nc1nnc(-c2ccco2)o1 4496670 QKSQPEILQLOIHX-UHFFFAOYSA-N 301.327 3.060 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)c1ccc(Cl)s1 575614944 LJOQNURNJSBNMI-UHFFFAOYSA-N 321.789 3.288 0 40 DGAB C[C@@H](Sc1ncc2ccccn12)c1nnnn1-c1ccccc1 40127517 JWTCEHZRQNSQTR-GFCCVEGCSA-N 322.397 3.163 0 40 DGAB COc1ccc(-c2oc3ccc(C)cc3c(=O)c2O)c(OC)c1 57889 FHCLYGAQOAONOZ-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic Cc1ccc(C(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)cc1 248936 VMYTXKPFGCFAHE-CQSZACIVSA-N 314.307 3.104 0 40 DGAB CCN(CC)C(=O)C1CCN(CCCc2ccccc2)CC1 299516 NXGAAMVGCAETFE-UHFFFAOYSA-N 302.462 3.200 0 40 DGAB CCCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1 358938 UNEAFVHKXRROHR-UHFFFAOYSA-N 324.446 3.036 0 40 DGAB COc1cc(C(=O)Nc2cccc(Cl)n2)cc(OC)c1OC 1017382 QRCHOGKJMRHQRE-UHFFFAOYSA-N 322.748 3.013 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)CCNCC(C)C)cc1 1671417 KYSGACMHROIIHA-UHFFFAOYSA-N 320.433 3.218 0 40 DGAB CCOC(=O)[C@@H](Cc1ccccc1)Nc1nc2ccccc2o1 1704893 DOSBWASBERFERO-OAHLLOKOSA-N 310.353 3.414 0 40 DGAB Cc1ccc2c(c1)[n+]([O-])c1c([n+]2[O-])-c2cccc3cccc-1c23 1713821 YAIXAOXKZMUTNL-UHFFFAOYSA-N 300.317 3.216 0 40 DGAB O=C(NCCOc1cccc2ccccc12)c1ccccc1O 3667435 KKVSSBKJOCGLKZ-UHFFFAOYSA-N 307.349 3.354 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccccc2C(F)(F)F)o1 4943117 AISFPOACHJCXIA-UHFFFAOYSA-N 317.292 3.128 0 40 DGAB COc1ccc2[nH]c(=O)c(CNc3ccccc3OC)cc2c1 5150306 AOPRRISLVAEQGE-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB COc1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1OC 5745509 BGMUGCSSLVLPDY-XCHVBMRISA-N 324.380 3.062 0 40 DGAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccco2)N3)C1 6205615 WPABIOSYIGEKBR-CYBMUJFWSA-N 303.387 3.148 0 40 DGAB CC[C@H](OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 6355955 NKYWMAGCRMHOMJ-JFRXWTBNSA-N 305.462 3.493 0 40 DGAB O=C(NCCCN1CCCCC1)C12CC3CC(CC(C3)C1)C2 7078615 DJCDUYQYAMNODR-UHFFFAOYSA-N 304.478 3.195 0 40 DGAB CC(=O)c1ccc(OCC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 7164342 WKYOSBHWASIRBA-UHFFFAOYSA-N 313.353 3.298 0 40 DGAB C=CCOc1ccccc1/C=C(\Sc1nnc(C)o1)C(=O)O 7603537 ICTZHISYXAXPOC-LCYFTJDESA-N 318.354 3.161 0 40 DGAB C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294416 PMPVIXJBTZJTRG-PSASIEDQSA-N 315.200 3.046 0 40 DGAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CCCC3)cc21 8959350 VPBQPBZWJZTPJD-UHFFFAOYSA-N 316.401 3.197 0 40 DGAB COc1ccccc1-c1cc(O)n2nc(-c3ccccc3)nc2n1 9936190 LFOWKCCPQPWYDL-UHFFFAOYSA-N 318.336 3.173 0 40 DGAB Cc1ccc(-n2nc(CSc3nccc(C)n3)cc2O)cc1 10157344 LMJSMQJHPWWXNN-UHFFFAOYSA-N 312.398 3.277 0 40 DGAB Cc1c(C(=O)Nc2ccc(N3CCCCCC3)cc2)cnn1C 10193553 YLUGIDZOXOCZLW-UHFFFAOYSA-N 312.417 3.361 0 40 DGAB COc1cc(NC(=O)[C@H]2CC=CCC2)ccc1N1CCCC1=O 11447061 RQDVSQSRSVUKKH-ZDUSSCGKSA-N 314.385 3.117 0 40 DGAB COc1ccc2oc(C(=O)OCC(=O)c3ccc[nH]3)c(C)c2c1 12858256 OJIXCPSJYXQVKC-UHFFFAOYSA-N 313.309 3.118 0 40 DGAB O=C(CN1CCSC1=O)Nc1cc(Cl)cc(Cl)c1 12884837 HZHFIWCYZYTOOS-UHFFFAOYSA-N 305.186 3.101 0 40 DGAB C[C@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12986950 BLPPWFILDOOZHW-NSHDSACASA-N 316.332 3.480 0 40 DGAB Cc1csc2c([C@@H]3CCCN(C(=O)C4CC4)C3)nc(C)n12 19240386 ZLXQNFPBVZQEQZ-CYBMUJFWSA-N 303.431 3.129 0 40 DGAB CCS[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 19765826 CLEJLJGWKIALHF-SNVBAGLBSA-N 304.198 3.378 0 40 DGAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(Cc2c[nH]c3ccccc23)CC1 19831686 KXTSFORODAANHT-SQNIBIBYSA-N 321.468 3.498 0 40 DGAB COc1cc(C(=O)Nc2ccc(C)cc2O)cc(OC)c1C 21780716 CCHVJWTYWHEZPO-UHFFFAOYSA-N 301.342 3.279 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CCC(C)CC1 25535307 CXWUCJZDYSRBQA-HNFVBEJKSA-N 312.413 3.197 0 40 DGAB Brc1ccc(OCc2nc3n(n2)CCCCC3)cc1 28527112 UDROQDXAFZXZIR-UHFFFAOYSA-N 322.206 3.346 0 40 DGAB O=C(NCc1cccnc1OCC(F)(F)F)c1ccsc1 33108299 CSGFWBGXHGGKBY-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB COc1ccccc1NC(C)(C)c1nnnn1-c1ccccc1 35622451 HYTRUERLNSQJNU-UHFFFAOYSA-N 309.373 3.018 0 40 DGAB COc1cccc([C@H](CNc2ncnc3ccccc23)N(C)C)c1 40004973 FPOMPLTUTMIDKX-SFHVURJKSA-N 322.412 3.353 0 40 DGAB O=C(/C=C/c1cccnc1)NCc1cccnc1OC1CCCC1 40516505 MRRWPNRQGPUPQL-MDZDMXLPSA-N 323.396 3.128 0 40 DGAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1c1ccsc1 48374681 FRNPETHFAIUDIV-WFASDCNBSA-N 320.458 3.107 0 40 DGAB CCCNC(=O)[C@H]1CCCN(Cc2csc(C(C)(C)C)n2)C1 50995596 PUTWLPXCFACDPO-ZDUSSCGKSA-N 323.506 3.179 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)o1)c1nc(C2CC2)no1 53414608 MDPMPMUTTHMUHH-SSDOTTSWSA-N 304.331 3.443 0 40 DGAB CCOc1cccc(CNC(=O)CSc2nc(C)cs2)c1 53452745 SSEMVFBCGZGFHQ-UHFFFAOYSA-N 322.455 3.259 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@H]1CC=CCC1 55451441 AEWLDSLJPJEBCU-HNNXBMFYSA-N 317.404 3.346 0 40 DGAB Cc1nc(NC(=O)[C@@H]2CCCN(c3ccccn3)C2)sc1C 58059973 QDZHKKBFUJOEBC-CYBMUJFWSA-N 316.430 3.010 0 40 DGAB CC(=O)N(C)c1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1 65975631 ZEEXQBMCEQDFIE-LLVKDONJSA-N 302.378 3.349 0 40 DGAB CCN(CCc1ccncc1)Cc1ccc(OC)c(OC)c1 66349495 KAARJEMWHFEUKH-UHFFFAOYSA-N 300.402 3.163 0 40 DGAB C[C@H]1c2cccn2CCN1C(=O)c1cccc(CN2CCCC2)c1 66410420 GXQROGXCHXVHJZ-INIZCTEOSA-N 323.440 3.301 0 40 DGAB Cc1nccc(CNC(=O)N[C@@H]2CCC(C)(C)c3ccccc32)n1 69103457 UVWLHCUPWLEADI-QGZVFWFLSA-N 324.428 3.397 0 40 DGAB CCc1nnsc1C(=O)Nc1cc(-c2ccc(C)s2)n[nH]1 69570850 WEUPIMCILQZJKD-UHFFFAOYSA-N 319.415 3.113 0 40 DGAB COc1cc([C@@H](C)NCc2cccc(O)c2)cc(OC)c1OC 69871671 XUXRNIJNLHIYAJ-GFCCVEGCSA-N 317.385 3.269 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 69919652 WILIRSZTPYNSDT-SFHVURJKSA-N 323.440 3.412 0 40 DGAB CCCCCC[C@H](C)NC(=O)CCc1nc2ncccc2[nH]1 70009838 UEOBWEQPRVDTJC-ZDUSSCGKSA-N 302.422 3.366 0 40 DGAB Cc1ccc(C)c(CSc2nc3ccccc3c(=O)n2N)c1 71768785 BEHWDAZNEQZLCG-UHFFFAOYSA-N 311.410 3.019 0 40 DGAB Cc1cc(O[C@H](C)c2ccccc2)ccc1NC(=O)NCCO 71795673 FTBAZRWUGZXXKC-CQSZACIVSA-N 314.385 3.249 0 40 DGAB O=C(c1sccc1C1CC1)N1CCN(c2nccs2)CC1 71835198 RUDVWOPHNAMOOI-UHFFFAOYSA-N 319.455 3.044 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21 71908260 MYWHIVJBJHUFHS-KRWDZBQOSA-N 324.428 3.117 0 40 DGAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccccc2F)cc1 72328927 GHKTXZWMITWJMV-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1cccc2ncccc12 73622739 JLRUZDYEEDMKOW-CYBMUJFWSA-N 321.380 3.166 0 40 DGAB Cc1cc(N[C@@H](c2n[nH]c(C)n2)C(C)C)nc(-c2ccccn2)n1 75147018 KJSSMXLBKHHWLS-OAHLLOKOSA-N 323.404 3.083 0 40 DGAB CCn1nc(C)c(C(=O)N[C@H]2COc3c2ccc(C)c3C)c1C 77334809 MPZABVFTICTQJI-HNNXBMFYSA-N 313.401 3.000 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](C)C[C@H](C)O 77660945 CWCBIICNBIFJII-ONGXEEELSA-N 314.813 3.186 0 40 DGAB O=C(NC[C@H]1CCOC1)Nc1cccc(C(=O)c2ccccc2)c1 78550563 VUJLBMLZUREMEA-CQSZACIVSA-N 324.380 3.076 0 40 DGAB O=C(c1coc(Br)c1)N1CCOc2ccccc21 78780703 JWYUIISUJYQJIY-UHFFFAOYSA-N 308.131 3.081 0 40 DGAB COc1ccc(NC(=O)NCc2cc(C(C)C)no2)cc1C 79350435 DXSOBSZEEBTBHC-UHFFFAOYSA-N 303.362 3.437 0 40 DGAB CCC[C@@H](NC(=O)N1CCSC(C)(C)C1)c1ccccn1 83650504 GFQNHZLVGSJBKG-CQSZACIVSA-N 307.463 3.460 0 40 DGAB COc1cc(F)c(C(=O)N(C[C@H]2C[C@H]2C)C(C)C)cc1OC 84688850 ZJDGNXVMVORLLZ-VXGBXAGGSA-N 309.381 3.350 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)[C@@H]3CC=CCC3)CC2)o1 85470695 QBTIEJGUAJVJJQ-CQSZACIVSA-N 303.406 3.255 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@@H]2C2CCC2)c1OC 89471481 BQEKJWFQNXUMGK-OAHLLOKOSA-N 318.417 3.178 0 40 DGAB NC(=O)c1cccc(CNc2ccccc2OCC(F)F)c1 89814368 BCCMJWJYGKIRHO-UHFFFAOYSA-N 306.312 3.042 0 40 DGAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H]1CCOC1 89913740 ANYHJDJUZZVLJO-NEPJUHHUSA-N 319.430 3.035 0 40 DGAB Cn1cc(CNc2cccc(CNC(=O)OC(C)(C)C)c2)cn1 95428806 CDEVEPAWUDXKMK-UHFFFAOYSA-N 316.405 3.057 0 40 DGAB Cc1cnccc1CCNC(=O)N[C@@H]1CCc2c(F)cccc21 95438055 GSQDMYDXCVPGFD-QGZVFWFLSA-N 313.376 3.058 0 40 DGAB C[C@H](C[C@H](O)c1ccco1)Nc1cncc(Br)c1 95449441 JIDJZEMINYGKRB-SKDRFNHKSA-N 311.179 3.361 0 40 DGAB CCOc1ccccc1CN(C)C(=O)c1ccc2[nH]ncc2c1 95963023 NQSDHJKQVHFBCQ-UHFFFAOYSA-N 309.369 3.234 0 40 DGAB Cc1cccc(CN2CC[C@@]3(CCCN(c4ncccn4)C3)C2)c1 96216932 NCOUIDAYEMYHRY-FQEVSTJZSA-N 322.456 3.278 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCC[C@@H]2CO)c1 96434800 ZYEVOKMUACRMIH-UXIGCNINSA-N 308.447 3.393 0 40 DGAB CO[C@@]1(C)C[C@H](N(C)Cc2nccn2CC(F)(F)F)C1(C)C 96443602 WMBWVLLQXSLEGD-FZMZJTMJSA-N 319.371 3.081 0 40 DGAB CCCC(=O)Nc1cccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)c1 96487565 YESRWVZPZNYVEB-CJNGLKHVSA-N 301.434 3.462 0 40 DGAB CCN(CC)c1nccn2nc(-c3ccc(F)cc3)c(C=O)c12 96530812 APJGSKOVOWZHSF-UHFFFAOYSA-N 312.348 3.194 0 40 DGAB Cc1cccc(C)c1N1C[C@H](C(=O)Nc2ccccc2)CC1=O 96685785 HQQUVIWSAICNGS-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB C[C@H](CC(=O)N[C@H](C)[C@@H]1CCOC1)C(=O)c1ccc(Cl)cc1 97045180 LCMPZAKVXOIJCJ-YRGRVCCFSA-N 323.820 3.090 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1cn2cc(Cl)ccc2n1 97159593 YOMMQALLMYRRJU-UHFFFAOYSA-N 317.824 3.298 0 40 DGAB COC[C@H](C)CN(C)C(=O)c1cc(C(F)(F)F)ccc1F 97228024 ZSOSHGDNSBVHRW-SECBINFHSA-N 307.287 3.199 0 40 DGAB CC1=NN(c2ccccc2)C(=O)[C@H]1Cc1ccc(N(C)C)cc1 100998726 VHQNZWGSOGBHPZ-SFHVURJKSA-N 307.397 3.334 0 40 DGAB COc1ccc(C2=C[C@@H](c3ccccc3F)n3ncnc3N2)cc1 101037815 WFZGAZQRDHXJEU-KRWDZBQOSA-N 322.343 3.482 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 105697761 CGTQUDZXKYLKLL-GKEYINFOSA-N 315.413 3.209 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(F)cc1 113942835 HLERMMZOGFILBT-KRWDZBQOSA-N 317.360 3.308 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@@H]3C2=O)[C@@H]2C[C@H]42)cc1Cl 169684042 UAVBADNMGQAKFD-AATNOEDMSA-N 313.784 3.206 0 40 DGAB Fc1cc(-c2noc(C3CCNCC3)n2)cc(C(F)(F)F)c1 199783615 SECRCTRIYOJZSM-UHFFFAOYSA-N 315.270 3.362 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2nc(C3CC3)no2)C1 220752900 OAAWVVMVWRPGRA-LLVKDONJSA-N 307.394 3.137 0 40 DGAB C[C@@H](CN(C)c1ccccc1)NCc1ccc([S@](C)=O)cc1 221327444 PKOSIAQRQBUHRN-NYHFZMIOSA-N 316.470 3.039 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1CC 222897490 AXLUDRBJUUBVDN-CVEARBPZSA-N 314.458 3.286 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)COc2ccccc2C)c1 223975012 CPVUPLYMARHZFE-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1C 224643259 DWYJZIRRSBXYJG-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@@H](C)c1csc(C(C)C)n1 225540703 VTHBBOGSEKIJMX-NSHDSACASA-N 306.435 3.026 0 40 DGAB Cc1cc(C(=O)NCCc2cnc(-c3ccccc3)nc2)c(C)o1 225590863 VQRISCRVVLUHGY-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB Cc1nc(Cc2ccccc2)ncc1C(=O)NCc1ccccc1 225792741 OFIAEBUTCHHALX-UHFFFAOYSA-N 317.392 3.306 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2ccc(F)c(F)c2)n1 257224036 FAASVGOEMIOPEF-HNNXBMFYSA-N 304.344 3.134 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2c2cnccn2)c2ccccc2n1C 257280760 OMGHRINHYRVKSR-KRWDZBQOSA-N 320.396 3.254 0 40 DGAB Cc1cc(CC2CCN(C(=O)Cc3cccs3)CC2)ccn1 257307155 SXKNOMFUPOBJBJ-UHFFFAOYSA-N 314.454 3.475 0 40 DGAB CNc1nc([C@@H]2CCCCN2C(=O)C(C)(C)C)cn2cccc12 257309550 UBJOCQDCQJZGKL-AWEZNQCLSA-N 314.433 3.476 0 40 DGAB CCOc1ccc(C(C)=O)cc1CNC(C)(C)C[C@H](C)CO 521396510 NTDVFYMQEAUHTH-ZDUSSCGKSA-N 307.434 3.175 0 40 DGAB Cn1nc([C@H]2CCCO2)cc1NC(=O)c1ccccc1Cl 565343408 CLSJUILOOJCURA-CYBMUJFWSA-N 305.765 3.177 0 40 DGAB C[C@@H](Cc1csc2ccccc12)NC(=O)C1CCOCC1 575605910 CXNRNXUJHKNBGY-LBPRGKRZSA-N 303.427 3.375 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cc1)c1n[nH]cc1C(F)(F)F 585131594 AAZGEZKSDCCXQX-UHFFFAOYSA-N 324.306 3.281 0 40 DGAB c1ccc(CN2CCN(c3nc4cnccc4s3)CC2)cc1 703263159 TWUJYMXKVMJMML-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB COc1cc([C@H](O)C(F)(F)F)cc(OC)c1Br 1857793189 DDTPGRZEVAKTPN-VIFPVBQESA-N 315.085 3.062 0 40 DGAB COc1ccc(-c2coc3cc(OC)cc(OC)c3c2=O)cc1 58170 PVVORTURQPBPEQ-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic,in-vitro Clc1ccc(CNCc2ccnc(-n3cccn3)c2)s1 30900984 DCSMBIAXXUXASF-UHFFFAOYSA-N 304.806 3.272 0 40 DGAB CCN(CC)C[C@H](O)CCNc1ccnc2cc(Cl)ccc12 1687502 ZUMBGWGMKFFGGB-CQSZACIVSA-N 321.852 3.393 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 40497188 WKLGGUZHODEYKK-DOMZBBRYSA-N 319.380 3.467 0 40 DGAB Cc1nn(Cc2ccc(C(=O)N3CCCC3)o2)c(C)c1Cl 2746541 RGJUYZPABCLBCO-UHFFFAOYSA-N 307.781 3.031 0 40 DGAB CC(C)Cc1ccc([C@H](O)CN2CCCN3CCC[C@@H]3C2)cc1 69879793 VDCIOSOCVROUDO-WOJBJXKFSA-N 316.489 3.089 0 40 DGAB Cc1c(C(=O)N[C@@H](c2cccs2)C2CCCC2)cnn1C 32397574 PSLDDNZYQPAZMM-OAHLLOKOSA-N 303.431 3.451 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)CC)c2ccccc12 308708 FIFRGZZBDCLLNI-UHFFFAOYSA-N 307.415 3.269 0 40 DGAB CC(C)COCCC(=O)Nc1cccc(NC(=O)C2CC2)c1 32636987 GCOXHFBOKWOWEH-UHFFFAOYSA-N 304.390 3.036 0 40 DGAB COc1ncccc1CNC(=O)c1cccc(Cl)c1Cl 32787217 PFSJZNVPJAHSBI-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB C[C@H](NC(=O)CCN1CCSC1=O)c1cc2ccccc2o1 32787570 AKWJGTQRNMPLBC-NSHDSACASA-N 318.398 3.169 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)[C@H]1C[C@H]2C=C[C@H]1C2 102587807 RZIFPWPGTMINNX-GVXVVHGQSA-N 300.383 3.232 0 40 DGAB CC1CCC(NC(=O)CCCc2nc(C(C)(C)C)no2)CC1 32922801 SXUCZKQFAWTEOU-UHFFFAOYSA-N 307.438 3.385 0 40 DGAB CCCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 21874473 VQPSIGMYDKFFMN-HNNXBMFYSA-N 310.397 3.109 0 40 DGAB Cc1cccc(-c2nc(=O)c3c4c(sc3[nH]2)SCCC4)n1 54753137 MOEMUHUODMOXNN-UHFFFAOYSA-N 315.423 3.393 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(F)cc1F 100189319 OUVBHHHIPSQRGP-CXAGYDPISA-N 301.340 3.325 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)NC1CCCCC1 2699445 ZHLUQMMAKAKDIX-UHFFFAOYSA-N 315.442 3.479 0 40 DGAB CC[C@@H](C(=O)N(C)Cc1cccc(OC)c1)c1c(C)noc1C 75126550 YUARJUXXEAETGT-MRXNPFEDSA-N 316.401 3.452 0 40 DGAB O=c1[nH]c(Nc2ccc(N3CCCCC3)cc2)nc2c1CCCC2 11903464 BSBLRYWJZMRQBL-UHFFFAOYSA-N 324.428 3.383 0 40 DGAB COCCC(=O)NCCc1c(C)[nH]c2c(C)cc(Cl)cc12 28573193 QYKNAWPPTIAWGA-UHFFFAOYSA-N 308.809 3.133 0 40 DGAB CCCOc1ccc(-c2nonc2NC(=O)c2ccco2)cc1 12062634 ULFOSOQHOVIGSE-UHFFFAOYSA-N 313.313 3.371 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)[C@@H](C)Oc3ccccc3)ccc21 22617823 JFUJVEGZLPNEQZ-CYBMUJFWSA-N 324.380 3.002 0 40 DGAB CN(Cc1ccc(C(N)=O)cc1)Cc1nc2ccccc2s1 53782105 HROFNKNSWDFNOV-UHFFFAOYSA-N 311.410 3.027 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cc(-c2cccnc2)on1 46913873 QZHQVOUOXOTXNK-UHFFFAOYSA-N 319.364 3.198 0 40 DGAB C[C@H](NC(=O)CCc1ccsc1)c1ccc2c(c1)OCCO2 23675008 NUHGVMPCAGBHPE-LBPRGKRZSA-N 317.410 3.329 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1Cn1cccn1 105679633 MSBQUUHRPDLESK-BXWFABGCSA-N 323.440 3.374 0 40 DGAB COC[C@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(C)o1 89652557 UORNCMLSDDODLW-ZDUSSCGKSA-N 320.393 3.049 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)c1C 101276356 LJUPUSFIKOESBX-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB COc1ccc(OCCN(C)C(=O)c2c[nH]c3ccccc23)cc1 24774385 CFPRBSKXIHZYPS-UHFFFAOYSA-N 324.380 3.328 0 40 DGAB Cn1cc(C(=O)Nc2ccccc2F)c(=O)c2cc(F)ccc21 22236244 LHIWXMUTSVCIDG-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB C[C@@H](NC(=O)c1ccn(COc2ccccc2)n1)c1ccccc1 28229548 KVQFLNDUNBRFNJ-OAHLLOKOSA-N 321.380 3.411 0 40 DGAB CCOc1cccc(CNC(=O)COc2ccc(C)c(C)c2)c1 20454185 NVVIYRCYAHEMON-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55944815 MIYDBDQDTYXGMC-JKSUJKDBSA-N 303.333 3.377 0 40 DGAB O=C(CCCC(=O)c1ccc(F)cc1)NNc1ccc(F)cc1 56421862 GDLVBEWEJKMCPV-UHFFFAOYSA-N 318.323 3.461 0 40 DGAB COc1ccc(CCC(=O)NCc2ccccc2F)cc1OC 3286820 FAPADSRABDXQGE-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB CC(C)(C)NC(=O)COC(=O)c1cccc(Cl)c1Cl 3289621 SCQIXZBFVDYACC-UHFFFAOYSA-N 304.173 3.065 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](CO)C[C@]34C)[C@@H]1CC[C@H]2O 118924771 OKOKLFXLKDXQOK-PWDDSECPSA-N 320.473 3.178 0 40 DGAB O=C(CSc1cccc[n+]1[O-])c1cccc(C(F)(F)F)c1 3298096 CQLNCTVDTFNWSU-UHFFFAOYSA-N 313.300 3.314 0 40 DGAB Cc1ccc(CNC(=O)CCc2nnc(-c3ccccc3)o2)cc1 12699704 OWLDJBDRAZPLDN-UHFFFAOYSA-N 321.380 3.294 0 40 DGAB NC(=O)Nc1ccc(Cl)c(NC(=O)Cc2cccs2)c1 48302575 YNVJHGRPWRWPEG-UHFFFAOYSA-N 309.778 3.073 0 40 DGAB O=c1cc(NCC2(c3ccccc3)CCC2)nc2ccccn12 12803626 SGKKVHBLNPPSIO-UHFFFAOYSA-N 305.381 3.228 0 40 DGAB CCc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 12912701 STFKSVPAWSHFSF-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)c1n[nH]c2ccccc12 7946398 RUZYKDJBHIJFBE-UHFFFAOYSA-N 303.268 3.417 0 40 DGAB Cc1cccc2c(=O)[nH]c(CN(C)[C@@H](C)c3ccccc3)nc12 16694729 MMMQHINJDUQQEY-AWEZNQCLSA-N 307.397 3.425 0 40 DGAB Cc1ccc(SC[C@H]2CN=C3Nc4ccccc4C(=O)N32)cc1 4091869 YKOANHILEIULFZ-CYBMUJFWSA-N 323.421 3.393 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1SC 69159068 GFHFTIZSFIVPSC-HNNXBMFYSA-N 300.383 3.271 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2cc(C)ccn2)c1 13718769 SKPOCSFMHGGEOD-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB COc1ccc([S@](=O)CC(=O)Nc2ccccc2Cl)cc1 5210849 PDKUTMJEVJFYFG-NRFANRHFSA-N 323.801 3.095 0 40 DGAB COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccccc1F)C2 4520087 HWROVVHMHVKBMX-SNVBAGLBSA-N 302.301 3.426 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccc(F)cc2F)cc1 6579418 IKSSEQJDLPFISY-RUDMXATFSA-N 317.291 3.403 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)Cn1c(=O)oc2ccccc21 6510711 QMXGSIMIWQOBIC-UHFFFAOYSA-N 316.744 3.195 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 8479964 KYALKCBPIAXOAM-ZDUSSCGKSA-N 313.353 3.438 0 40 DGAB NC(=O)CN(C/C=C/c1ccccc1)C/C=C/c1ccccc1 4699192 APSFEFOXJCUHPN-FNCQTZNRSA-N 306.409 3.201 0 40 DGAB COc1cc(C=O)ccc1OCc1nc(-c2ccccc2C)no1 22120889 UAIOEDACAMRLBN-UHFFFAOYSA-N 324.336 3.445 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCC(F)(F)F 91624435 OLVVCIRTSUJPBJ-NSHDSACASA-N 318.343 3.216 0 40 DGAB Cc1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1C(N)=O 66441840 GLFRBKPYHSATBZ-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2cccnc2)cs1 6830353 VSDVEYKBFAEZGZ-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB COc1ccc2nc(SCc3ccc(C(=O)O)o3)[nH]c2c1 15018856 ICMIKXVTIWKJGL-UHFFFAOYSA-N 304.327 3.155 0 40 DGAB COc1ccc(C)cc1[C@@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 69627464 ZKPYPJMWNJMWHJ-PXAZEXFGSA-N 316.376 3.020 0 40 DGAB O[C@@H](CSc1ncc(Br)cn1)c1ccccc1 67368471 FEQAQWYQZZVCBA-NSHDSACASA-N 311.204 3.065 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1cc2ccccc2oc1=O 7215246 DLNXVCWGMDHZRK-HNNXBMFYSA-N 321.332 3.047 0 40 DGAB O=C(NCc1noc(-c2ccccc2)n1)c1c[nH]c2ccccc12 9184334 JWSRABCTFXRFLS-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB CC(C)c1ncc2c(n1)CN(c1cnc3ccccc3n1)CC2 71880187 HNVQJGPEUQUZEI-UHFFFAOYSA-N 305.385 3.106 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1c(C)cc(=O)oc1C 9314539 HXSZIYUFPNDZOT-UHFFFAOYSA-N 307.733 3.171 0 40 DGAB CCc1cc2c(=O)[nH]c(CNc3ccc(F)cc3)nc2s1 19926558 PTPVQSZABKBBRJ-UHFFFAOYSA-N 303.362 3.298 0 40 DGAB CC(C)N1CCC[C@H]1CC(=O)NCC(C)(C)c1cccc(F)c1 89885195 NQTMTDXHHZDIMY-KRWDZBQOSA-N 320.452 3.482 0 40 DGAB COc1cc2c(=O)[nH]c(-c3ccc(C)o3)nc2cc1OC(F)F 84195466 IDZZQXXUUKLMEX-UHFFFAOYSA-N 322.267 3.102 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC(=O)C[C@@H]1C 97022865 WQJSUFFXIURRMP-GUYCJALGSA-N 303.402 3.049 0 40 DGAB C[C@H](C(=O)Nc1cc(C(=O)O)ccc1F)c1cccc(F)c1 97036169 JNJHHWGXGCDUMS-VIFPVBQESA-N 305.280 3.405 0 40 DGAB Cc1cccc(C(=O)NC2CCN(c3ccccc3)CC2)c1O 97152478 RNPSYROCOSRXEQ-UHFFFAOYSA-N 310.397 3.099 0 40 DGAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@H](C)C2CC2)no1 24673706 DJHICZMZNHNSBQ-CQSZACIVSA-N 313.401 3.222 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 75602270 GGBAWLKAPIVPEV-LLVKDONJSA-N 307.781 3.261 0 40 DGAB COc1cc(F)cc(NC(=O)Nc2cnc(C3CC3)nc2)c1 95414247 IILCXQBLTQDJOR-UHFFFAOYSA-N 302.309 3.146 0 40 DGAB CCc1ncsc1C(=O)Oc1ccc(NC(=O)C2CC2)cc1 95432636 FFLHHILFROCDCS-UHFFFAOYSA-N 316.382 3.273 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2)[C@H](F)C1 78710471 JXBLMDWEOQDVAC-CABCVRRESA-N 308.397 3.124 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)cc1 78898188 TUIGPYDRXPCELE-WBMJQRKESA-N 306.837 3.077 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3cc[nH]c3C)s2)cc1 95977828 CAOOYMARHXRJNQ-UHFFFAOYSA-N 314.370 3.103 0 40 DGAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@H](CCC(=O)O)C1 95992020 BQKLDWXFWPZGCL-CHWSQXEVSA-N 309.431 3.030 0 40 DGAB Fc1cccc(CCCNC2CCN(c3ccccn3)CC2)c1 95967861 JKIRWCJBYSGZCM-UHFFFAOYSA-N 313.420 3.412 0 40 DGAB O=C(Nc1nccs1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 89262041 QOFADJJKBPMMAU-RYUDHWBXSA-N 323.805 3.448 0 40 DGAB O=C(c1cccnc1)N(Cc1cccs1)CC(F)(F)F 74807929 QUYZOLLJRFRUMD-UHFFFAOYSA-N 300.305 3.348 0 40 DGAB CNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 89391701 SCSNBVYQVPJNND-UHFFFAOYSA-N 310.184 3.027 0 40 DGAB Cn1cc(CCCC(=O)NCc2ccccn2)c2ccccc21 79501232 WHGULRCYLUBFEE-UHFFFAOYSA-N 307.397 3.212 0 40 DGAB CC(=O)c1nnc(-c2cccs2)n1Nc1ccc(F)cc1 36649154 VHWLRXATMDFLTD-UHFFFAOYSA-N 302.334 3.224 0 40 DGAB O[C@@]1(C(F)(F)F)NN=C2/C(=C/c3ccccc3)CCCC[C@@H]21 408563654 QWQLPPNAJNWOIE-PYHCZJRBSA-N 310.319 3.470 0 40 DGAB COc1cccc(N2CCN(c3nc4ccccc4o3)CC2)c1 30678783 FCIUGHGRDIZZIS-UHFFFAOYSA-N 309.369 3.163 0 40 DGAB Cc1ncccc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 73102715 MFCSXADNDDEZIS-UHFFFAOYSA-N 322.412 3.159 0 40 DGAB CC(C)[C@@H]1N(C(=O)c2cc(C(F)(F)F)nn2C)CC12CCC2 556311450 ANGLDGJAIBLJSS-LBPRGKRZSA-N 315.339 3.090 0 40 DGAB CNc1nc2c(s1)[C@H](c1ccc(C(=O)OC)cc1)CC(O)=N2 71283645 VFPFZGHQBXOETN-JTQLQIEISA-N 317.370 3.095 0 40 DGAB COc1ccccc1CNC(=O)c1cc2cccc(OC)c2o1 73742576 REFYBGWZIAINBK-UHFFFAOYSA-N 311.337 3.380 0 40 DGAB COc1ccc(CC(=O)NC[C@@H](C)c2ccccc2)cc1OC 36622263 QWIXTSFMQLXZMJ-CQSZACIVSA-N 313.397 3.166 0 40 DGAB CC[C@H](C(=O)OC)N(C(=O)c1scnc1C)c1ccccc1 74022111 PEKIFODATWXBSN-CYBMUJFWSA-N 318.398 3.050 0 40 DGAB CCS[C@H](C)c1noc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 132591301 ANZXKBPIQBPETR-GHMZBOCLSA-N 313.467 3.319 0 40 DGAB Nc1cc(Cl)c(N)c(Br)c1N1CCCCC1 45891320 BAUDHROFEOEBIY-UHFFFAOYSA-N 304.619 3.257 0 40 DGAB Cc1ccnc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)c1 226747226 MJNONAUOZOOXGW-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB O=C(O)c1csc(CN2CCC[C@@H]2Cc2ccc(F)cc2)n1 517949052 QSGXLBZBYJUTAV-CYBMUJFWSA-N 320.389 3.188 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)NCCc1ccccc1 41103653 ZOSDTZPJGFBPNR-UHFFFAOYSA-N 323.314 3.443 0 40 DGAB CCOc1ccc(-c2nc(=O)c3ccccc3[nH]2)cc1OCC 225315935 CROVSVWYMIEYSY-UHFFFAOYSA-N 310.353 3.388 0 40 DGAB CC(=O)c1csc(C(=O)Nc2ccncc2C(=O)C(C)C)c1 191279394 LARWQEYZZKQXFY-UHFFFAOYSA-N 316.382 3.437 0 40 DGAB Cc1cccnc1NC(=S)NCCCc1ccc(F)cc1 223967307 LTEJICODNMMOMX-UHFFFAOYSA-N 303.406 3.448 0 40 DGAB CCCCC[C@@H](C)NC(=O)COCC(=O)Nc1ccc(C)cc1 199409148 GAIKAJLHTNSYCA-OAHLLOKOSA-N 320.433 3.035 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225467239 MHZMDMCAQIUJKV-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB Fc1ccc(Cn2cc(CN3CCCSCC3)cn2)cc1 225480397 CRYIBIADNVKYOA-UHFFFAOYSA-N 305.422 3.009 0 40 DGAB COC(=O)Cc1c(Br)oc2cc(F)c(F)cc12 85399365 CGTRRDDGAAEJND-UHFFFAOYSA-N 305.074 3.189 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@H]1CCc2[nH]ncc2C1 90456009 JPMPUHWZCBZPEI-YOEHRIQHSA-N 309.413 3.303 0 40 DGAB Cc1nscc1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97378471 LBGPRQATSKZPTR-LBPRGKRZSA-N 321.471 3.032 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)n(C)n1 96493029 AMJKSEGFDVSOQA-CYBMUJFWSA-N 319.792 3.026 0 40 DGAB COCc1ccccc1C(=O)NC1(c2nccs2)CCCC1 96407319 QLBWLXBFNPDKLN-UHFFFAOYSA-N 316.426 3.489 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cnc(C)c(Cl)c2C)cc1 96182466 DBHIWTRDQXUQAY-UHFFFAOYSA-N 310.806 3.461 0 40 DGAB CC(C)c1ccc(CN(C(=O)c2cccc(=O)n2C)C2CC2)cc1 95441001 GBWHVFVTZDGBEO-UHFFFAOYSA-N 324.424 3.314 0 40 DGAB COc1ccc(CNc2ccc(F)c(C(=O)N(C)C)c2)cc1F 97236931 UEROMCDUXDPBRI-UHFFFAOYSA-N 320.339 3.287 0 40 DGAB CS[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96416528 NMGOODCEZJKAMA-CABCVRRESA-N 306.431 3.049 0 40 DGAB C[C@H](CC(=O)Nc1cnn(C)c1Cl)Cc1cccc(F)c1 585128120 SFFSZHYORCKUQB-JTQLQIEISA-N 309.772 3.420 0 40 DGAB O=C(O)[C@H](CC(=O)N1CCCc2ccccc2C1)c1ccccc1 634904011 DKGOLKSSCOENBD-GOSISDBHSA-N 323.392 3.220 0 40 DGAB Cc1cc(C(=O)N(Cc2ccoc2)Cc2cccs2)no1 90612066 DIFGIWIJWYSBST-UHFFFAOYSA-N 302.355 3.480 0 40 DGAB COc1cccc([C@@H](CNC(=O)c2ccccc2Cl)OC)c1 96389802 OZKHFNQNKRVQQU-MRXNPFEDSA-N 319.788 3.466 0 40 DGAB COCCc1cnc2n1CCN(Cc1cccc3[nH]ccc13)[C@@H]2C 585097086 FMGRAJVKZHUMIB-CQSZACIVSA-N 324.428 3.130 0 40 DGAB O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc(Cl)s1 57987103 XYHVHVFWEISHDW-UHFFFAOYSA-N 321.789 3.183 0 40 DGAB c1cc(CN2CCOCC2)cc(Nc2ncnc3ccccc23)c1 68938080 TYKBDDOYKNYAEG-UHFFFAOYSA-N 320.396 3.206 0 40 DGAB CO[C@H]1CCCN(C2CCOCC2)[C@H]1Cc1ccccc1F 1615140543 PIFOVDHLFISPEL-ROUUACIJSA-N 307.409 3.027 0 40 DGAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1OC 572773 MMJAJYDAGLGVHV-PTNGSMBKSA-N 323.348 3.438 0 40 DGAB CC[C@H](C)NC(=O)CSc1cc(-c2ccccc2)ncn1 11903051 LAUUAMDSBTWMMM-LBPRGKRZSA-N 301.415 3.150 0 40 DGAB CCCCN[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 19879160 JFFMHQQWYCXVHG-MRVPVSSYSA-N 303.661 3.235 0 40 DGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccccc2)c1 3555388 ANKSQYVVXOIQCU-VAWYXSNFSA-N 322.408 3.414 0 40 DGAB Cc1noc(C)c1C(=O)N1CCS[C@H](c2ccco2)CC1 219405855 GGFYKPVTECXJJT-ZDUSSCGKSA-N 306.387 3.205 0 40 DGAB Cc1cc(F)cc(S(=O)(=O)Nc2cnn([C@H](C)C3CC3)c2)c1 547951994 MVSPIWMNGZQYEC-LLVKDONJSA-N 323.393 3.102 0 40 DGAB CC(C)C(=O)N(c1ccc(C(C)C)cc1)[C@H]1C=CS(=O)(=O)C1 4165568 LIDVXEHSPDMDLP-INIZCTEOSA-N 321.442 3.110 0 40 DGAB Cc1ccc(CN2CCC(CNC(=O)C[C@@H]3C=CCC3)CC2)o1 584897620 PPMJEBGIFKWQJA-MRXNPFEDSA-N 316.445 3.273 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50081856 FDOLMEVQKWLURX-MELADBBJSA-N 305.422 3.220 0 40 DGAB CN1CCN(C(=O)/C=C/c2ccccc2)[C@H](c2ccccc2)C1 30028991 HJVCNTODMRPRNE-HYSAVQALSA-N 306.409 3.215 0 40 DGAB CC(C)NC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45422 FWZACQQVGSBQIT-GFCCVEGCSA-N 324.686 3.035 0 40 DGAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@]1(C)O 53132 GIWADHSGRXSAST-BBWFWOEESA-N 319.788 3.281 0 40 DGAB O=C(/C=C/c1ccccc1F)NCCN1CCc2ccccc2C1 30319810 JBOGTIHIABAUEW-MDZDMXLPSA-N 324.399 3.013 0 40 DGAB CCc1ccc([C@H]2[C@H](C(=O)O)c3ccccc3C(=O)N2C)cc1 211798 CGPDJZRBACABMA-SJORKVTESA-N 309.365 3.244 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccccc3)s2)cc1 3016509 GWILLMSXTYWFNA-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c(C)c1 6203614 CEHUAPDITCBLMG-BMFZPTHFSA-N 303.402 3.372 0 40 DGAB CCc1cc(CNC(=O)N[C@H](CC)Cc2ccccc2)on1 96421518 MMYQLQBOGJZESD-CQSZACIVSA-N 301.390 3.058 0 40 DGAB CN(Cc1nnc2ccccn12)c1ccc2ccc(F)cc2n1 96427346 UFRRDOJDKUUDCS-UHFFFAOYSA-N 307.332 3.053 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC(=O)c3cc(C)ccc32)cc1 356994 FLBKUQDKFUXXLP-UHFFFAOYSA-N 315.394 3.085 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)c2cccc(Cl)c2)cc1 11380134 AJYCUVJXCDUWHO-UHFFFAOYSA-N 323.801 3.386 0 40 DGAB CCCCCNc1nc(N)nc(-c2cc(Cl)ccc2OC)n1 2192988 ULIFIYOCKVXZPI-UHFFFAOYSA-N 321.812 3.385 0 40 DGAB O=C(c1ccsc1)N1CCC[C@@H]1c1nnc2n1CCCCC2 29248882 PJAUSNGDJIJPAQ-CYBMUJFWSA-N 316.430 3.043 0 40 DGAB CCC(CC)N(C(=O)[C@H]1CC(=O)Nc2ccccc21)C1CC1 32925597 BSTCWLIULQCORO-HNNXBMFYSA-N 300.402 3.292 0 40 DGAB CN(C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)nc1 104184174 RTUWGFMUVKYWJS-JBLDHEPKSA-N 307.191 3.019 0 40 DGAB CCOc1ccc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)cc1 12017013 ZQGKDTVJPNBTTM-GFCCVEGCSA-N 317.414 3.303 0 40 DGAB COC(=O)c1cccc(OCc2noc(-c3cccs3)n2)c1 59009586 ASIJHSBSFWCXFU-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB Cc1ccccc1CNC(=O)NCCCn1cnc2ccccc21 54046982 MNJQISQXQYAEAG-UHFFFAOYSA-N 322.412 3.234 0 40 DGAB Cc1cccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)c1 100633046 NGNDJNAOGXWTSZ-SUMWQHHRSA-N 321.442 3.132 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NCCCCN1CCCC[C@H]1C 106177719 REHZAXUZVBMPGG-ZIAGYGMSSA-N 321.465 3.166 0 40 DGAB COCc1nn2c(O)c3c(nc2c1-c1ccccc1)CCCC3 102586984 CDMXWMUWFUCGJZ-UHFFFAOYSA-N 309.369 3.127 0 40 DGAB COc1ccccc1C[C@@H]1CCCN([C@H](C)c2nnc(C)o2)C1 106765171 CQAVZZPLNINGTA-HIFRSBDPSA-N 315.417 3.402 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1cccc(Cl)c1 68727125 RIJWNINTMJGGNP-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB CCOc1cc2c(cc1CNC(=O)CC(C)(C)C)O[C@H](C)C2 24645871 YHULUFBQELQRII-GFCCVEGCSA-N 305.418 3.461 0 40 DGAB COC(=O)c1cccc(NCc2nc(-c3ccco3)no2)c1C 26793217 HWZGTTYYZWIRCB-UHFFFAOYSA-N 313.313 3.037 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)N1CCOC12CCCCC2 35671182 YCYPFLOGIKWXGM-CYBMUJFWSA-N 307.365 3.112 0 40 DGAB CCOCc1cc(C(=O)Nc2ccccc2OC)ccc1OC 29629728 BQJCZEZGRUQQAI-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB Cc1ccnc(SCC(=O)N[C@@H](C)CCc2ccccc2)n1 3243798 FPCHWNGCSCOOQN-ZDUSSCGKSA-N 315.442 3.015 0 40 DGAB Cc1cccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 8015981 TVNYLUNWDBHPKD-PPGNKHEKSA-N 322.364 3.366 0 40 DGAB C[C@H](NC(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 58279739 HBNDGAJPLFFYAG-JTQLQIEISA-N 317.307 3.189 0 40 DGAB CCC(=O)c1cc(F)ccc1OCC(=O)Nc1ccccc1 12621886 RDCVNEMPEMUVQO-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB COc1ccc(CNC(=S)N2CCc3ccccc3C2)cc1 3333427 WSMGDVDXRBUCTB-UHFFFAOYSA-N 312.438 3.128 0 40 DGAB O=C(O)CCCNC(=O)/C(=C/c1ccccc1)c1ccccc1 62714356 ALWIZRRSUBPPGC-SAPNQHFASA-N 309.365 3.208 0 40 DGAB CCCCCOc1cc(C)ccc1S(=O)(=O)N1CCCC1 12998416 AOMNLXDZJXTIRC-UHFFFAOYSA-N 311.447 3.349 0 40 DGAB Cc1ccc(-n2ncc(C(=O)NCCc3ccco3)c2C)cc1 12924651 LELLWKWVRVVNAK-UHFFFAOYSA-N 309.369 3.055 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)c(OC)c1 12924247 WUFMGJCZVJWHLG-SKDRFNHKSA-N 318.398 3.422 0 40 DGAB COC(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)s1 12975397 LQBMOAGLQRZIQY-UHFFFAOYSA-N 319.426 3.233 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2ncnc3sccc23)C1 3604365 IQBALWJUBPIFMM-QWRGUYRKSA-N 321.471 3.288 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)NCc1ccccc1-n1cccn1 63358157 HXRXVUQYYJQYGQ-INIZCTEOSA-N 312.417 3.202 0 40 DGAB Cc1nc(S[C@@H]2C[C@H](C)OC2=O)c2c3c(sc2n1)CCC3 14076377 OMXJHQIYRJEMIY-WRWORJQWSA-N 320.439 3.285 0 40 DGAB Cc1nc(SCC(=O)NC(C)C)c2c(C)c(C)sc2n1 5428838 IUROEMFVHYJPCQ-UHFFFAOYSA-N 309.460 3.233 0 40 DGAB O=C(Cc1ccccc1O)NC1CCC(C(F)(F)F)CC1 69670411 AIDSQNMWTGEEBM-UHFFFAOYSA-N 301.308 3.172 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)N[C@H]1CCOc2ccccc21 25053702 ZVGVZAUBIVPWOU-HOTGVXAUSA-N 324.380 3.333 0 40 DGAB COc1ccc([C@H]2SCC(=O)N2c2ccccc2)cc1OC 5880341 GZCLGLUEDLYBNK-QGZVFWFLSA-N 315.394 3.482 0 40 DGAB O=C(c1ccc2c(c1)CCC2)N1CCN(c2ccccc2)CC1 15480430 FCZYJQYOVKORPH-UHFFFAOYSA-N 306.409 3.138 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccccc1F 7487641 SSRWFQWYBNIHJT-LBPRGKRZSA-N 311.360 3.255 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(OC)c3ncccc23)cc1 15840712 DHWXPXLIBXJEGU-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB COc1ccc(CCNC(=O)C2C3CC4CC(C3)CC2C4)cc1 9585775 XYLBKVHRCSKWKH-UHFFFAOYSA-N 313.441 3.426 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1cc(N)ccc1F 19736612 JOKAIKYXPDRPJY-SECBINFHSA-N 308.740 3.467 0 40 DGAB Cc1cc(=O)oc2c(C)c(OCc3n[nH]c(=S)o3)ccc12 19923636 VCOLFAJUPFYKHD-UHFFFAOYSA-N 304.327 3.034 0 40 DGAB CCn1cc([C@@H]2OCC[C@@H]2CNC/C=C/c2ccccc2)cn1 83843455 MWFJJWZDIPFAMI-VYYLWUJASA-N 311.429 3.284 0 40 DGAB CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCC1CCCCC1 9613946 AOPHHBGZYRPZHR-OAHLLOKOSA-N 322.474 3.199 0 40 DGAB O=C(NC(c1cccs1)c1cccs1)N[C@H]1CCCOC1 72291923 BYHKYYYZUOFZBT-NSHDSACASA-N 322.455 3.377 0 40 DGAB Cc1cscc1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 97035315 JFFRGHAHCNANFK-ZDUSSCGKSA-N 307.346 3.141 0 40 DGAB CCOC(=O)N1CCN([C@H](C)c2cnc3ccsc3c2)CC1 97165319 WOUMOGUWHZXVMM-GFCCVEGCSA-N 319.430 3.131 0 40 DGAB CNc1nc(CNC(=O)Nc2cccc([C@@H](C)OC)c2)cs1 84656181 YURKAPLOEHCHSN-SNVBAGLBSA-N 320.418 3.214 0 40 DGAB C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@@H](C)c1cnn(C)c1 95404502 PGPXVCKCSOUZES-RYUDHWBXSA-N 320.824 3.065 0 40 DGAB COc1ccc(F)cc1[C@H](C)Nc1nc2ccccc2c(=O)[nH]1 97995084 FFTOEOJTFQQFOC-JTQLQIEISA-N 313.332 3.244 0 40 DGAB CN(C)C(=O)Cc1ccccc1NCc1cccc(F)c1F 79016617 YZAIFVXZCZFPPK-UHFFFAOYSA-N 304.340 3.208 0 40 DGAB O=c1[nH]c(CCC(F)(F)F)nc2ccc(Br)cc12 79913371 VHFPHHUBSGDWMG-UHFFFAOYSA-N 321.096 3.181 0 40 DGAB CCN1C(=O)S/C(=C/c2ccc(N3CCCCC3)o2)C1=O 409074149 YEMPANLBANWLSN-ZRDIBKRKSA-N 306.387 3.326 0 40 DGAB Cc1cc(NCCCNc2cc(C)[nH]c(=S)n2)nc(=S)[nH]1 71775407 BGXFWSNBVQJRMR-UHFFFAOYSA-N 322.463 3.123 0 40 DGAB CC(=O)N1CCC[C@H]1c1cncc(Oc2ccc(F)cc2)n1 72361765 CPKLFFWPHWJFLE-HNNXBMFYSA-N 301.321 3.091 0 40 DGAB CCCC/C=C\CCCCCCCC(=O)OC[C@@H](O)CO 32840885 ARCRKLOZHGPFFJ-KJPDOMRESA-N 300.439 3.360 0 40 DGAB endogenous,in-man COc1ccc(S[C@@H](C)C(=O)Nc2cccnc2)cc1OC 216470958 NDNSCMMNJUHAQT-NSHDSACASA-N 318.398 3.218 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cncc(Oc2ccccc2F)n1 72361762 YVPCJOUHQZKLMU-CQSZACIVSA-N 301.321 3.091 0 40 DGAB CC(C)(Cc1ccccc1)NC(=O)c1ccc2c(c1)OCCO2 225406886 LJECCVVAWOENKA-UHFFFAOYSA-N 311.381 3.209 0 40 DGAB COc1cccc(-c2nnsc2C(=O)NC2CCCCC2)c1 225764504 UDHAHQCJEKVGHF-UHFFFAOYSA-N 317.414 3.276 0 40 DGAB CC1(C)CC(=O)Nc2ccc(C(=O)NCc3ccccc3)cc21 222283020 ORWQDZRMDXHQJU-UHFFFAOYSA-N 308.381 3.236 0 40 DGAB O=C(NC1CCCCC1)c1cccnc1NCc1ccncc1 40556523 NJEZKCIZYUWQTG-UHFFFAOYSA-N 310.401 3.151 0 40 DGAB O=C(NCc1ccccc1)c1cnn(-c2ccc(Cl)cc2)c1 224054572 HAIHIFZOGKUKAH-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB CCOC(=O)c1csc2nc(-c3ccc(OC)cc3)cn12 40440701 FIMZFBLCGLMLAH-UHFFFAOYSA-N 302.355 3.248 0 40 DGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1C 222822103 FIXCHPPIGKONEV-CVEARBPZSA-N 314.458 3.109 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)c1cccc2cc[nH]c12 95450870 MXNWXEVDFHZQTO-UHFFFAOYSA-N 315.373 3.166 0 40 DGAB Cc1ccc(-c2n[nH]cc2CN(C)CCc2ncc(C)s2)o1 93773495 YVHBZZKFNPQVTC-UHFFFAOYSA-N 316.430 3.418 0 40 DGAB Cc1nscc1C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 97237520 XPOJGBXBDFLKKC-CVEARBPZSA-N 316.426 3.319 0 40 DGAB CCc1ccc(CNc2ccc(NC(=O)CCN(C)C)cc2)o1 96482818 PNMVHBZQSPYFBW-UHFFFAOYSA-N 315.417 3.344 0 40 DGAB CCN(C)c1ccccc1NC(=O)N1CC[C@@H](CSC)C1 96418090 KYZUOWAQXWCENF-CYBMUJFWSA-N 307.463 3.360 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H](C)c2cccs2)c(F)c1 96413812 NYKNCVRNPKUQQI-SECBINFHSA-N 307.346 3.416 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)no1 257242420 ICKCZCHRKDHKRD-NSHDSACASA-N 305.403 3.103 0 40 DGAB COc1cccc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)c1 257247956 JBIQHEKZQZJJQZ-OAHLLOKOSA-N 310.397 3.185 0 40 DGAB Cc1n[nH]c(C)c1-c1cncc(C[C@@H]2CCCN(C(C)C)C2)n1 257210596 BVIBDZHSYPSVPY-HNNXBMFYSA-N 313.449 3.146 0 40 DGAB CC(C)Oc1ccc([C@@H]2CNCCN2Cc2cccnc2)cc1 257207691 BIUCJHBDUOOYPC-IBGZPJMESA-N 311.429 3.015 0 40 DGAB Cc1cnc(Nc2cccc(C[C@H]3CC[C@@H]4CNC[C@@H]43)n2)s1 585263370 XJSYSENTOAOCDX-UMVBOHGHSA-N 314.458 3.378 0 40 DGAB O=C(Nc1cccnc1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 48313093 FEKDGKJTINBVAO-OAHLLOKOSA-N 313.376 3.071 0 40 DGAB C[C@H](NC(=O)N(C)CC1CC1)c1cccc(N2CCCC2)c1 87281133 WZATUNCJFAMULU-AWEZNQCLSA-N 301.434 3.399 0 40 DGAB CCc1ccc(O)c(C(=O)N2CCOC[C@H]2c2ccc(C)o2)c1 94154502 OCXNNZGEBHKSLN-HNNXBMFYSA-N 315.369 3.070 0 40 DGAB CC(C)CNC(=O)Nc1ccccc1I 40095961 JWIYVNKLUXGWMF-UHFFFAOYSA-N 318.158 3.069 0 40 DGAB O=C(c1ccccn1)N1CCC(c2ccc3cccnc3n2)CC1 655265171 JAYJMKGGNDQGSC-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB Cc1cc(C)nc(C(=O)Nc2ccc(Br)cc2F)n1 1888881780 SMXXGXAIUZZAOV-UHFFFAOYSA-N 324.153 3.247 0 40 DGAB C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 4081878 WSCUHXPGYUMQEX-TYHLISGHSA-N 302.414 3.058 0 40 DGAB biogenic,in-vitro Cc1ccc(OCCNC(=O)COc2ccc(C)cc2C)cc1 5814539 WFHYJDODABVVOR-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CC[C@@H](CN1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 12362993 SMYLKMAVONSAOQ-KRWDZBQOSA-N 318.436 3.238 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)OC)cc1C 13582352 GGRTWFWRJGRYMA-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2)c1 18147397 DSZLYMRJTOGMLK-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB Fc1cccc(Nc2nc(-c3ccncc3)nc3c2CNCC3)c1 19294024 YJGJKUDHHVYWHJ-UHFFFAOYSA-N 321.359 3.067 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2cc(C)ccc2C)C1 19974139 BLFFIKQJKUMOFR-UHFFFAOYSA-N 323.440 3.434 0 40 DGAB Cn1cc(B2OC(C)(C)C(C)(C)O2)c(-c2ccc(Cl)s2)n1 396162949 IDUZJWSGKMEENA-UHFFFAOYSA-N 324.642 3.101 0 40 DGAB FC(F)(F)c1ccnc(NCc2cnn(-c3ccccc3)c2)n1 24055829 PVEYQBPBDZQNPY-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB CC(=O)N1CCCC[C@H]1c1nc(C)cc(-c2nc(C)cs2)n1 2037666392 FIQHVRVZWDNHSZ-AWEZNQCLSA-N 316.430 3.290 0 40 DGAB C[C@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 17245377 VDCAHDGCQYGKRX-WCQYABFASA-N 318.244 3.465 0 40 DGAB O=C(O)c1cccc(N=c2ccc(-c3cccc(F)c3)n[nH]2)c1 1857794477 KAXAZDYJQZYAGY-UHFFFAOYSA-N 309.300 3.146 0 40 DGAB Cc1ccsc1CN(C)C[C@@H](O)COCc1cccs1 78345121 JSKICXHOGCCNJG-CYBMUJFWSA-N 311.472 3.128 0 40 DGAB CN(C(=O)c1ccc(Cl)cc1)c1c2c(nn1C)CCCC2 1395790 ACDADRARUXPWCT-UHFFFAOYSA-N 303.793 3.229 0 40 DGAB Cc1ccc(C(=O)CN2C(=O)[C@H](C)Oc3ccc(C)cc32)cc1 1328350 OXTIQLDDOUXDRO-AWEZNQCLSA-N 309.365 3.300 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)c1cn(C)nc1C 2764745 GLGYUQLCJVAELL-UHFFFAOYSA-N 301.390 3.287 0 40 DGAB O[C@@H](CNCc1ccc(Br)s1)c1ccccc1 35112797 QBOQSWPBTCCHBE-LBPRGKRZSA-N 312.232 3.334 0 40 DGAB C[C@@]12CCNC(=O)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 4983567 UJPILRQDXJVBHX-JMJBHGIMSA-N 303.446 3.036 0 40 DGAB COc1ccccc1C(=O)Nc1nnc(SC(C)C)s1 7321765 KXMPCHOZVUCGES-UHFFFAOYSA-N 309.416 3.300 0 40 DGAB CCCc1n[nH]c(=S)n1NCc1ccc(OCC)c(OC)c1 7601356 ZHUHSAJOERINEX-UHFFFAOYSA-N 322.434 3.044 0 40 DGAB COc1ccc(NC(=O)CSCc2noc(C(C)C)n2)cc1 108418340 MONJQKLKVXFNDJ-UHFFFAOYSA-N 321.402 3.074 0 40 DGAB CC(=O)Nc1nc(C(=O)OCC(C)(C)c2ccccc2)cs1 57751501 SFIGZGLLVRGIOY-UHFFFAOYSA-N 318.398 3.236 0 40 DGAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCCCCC(=O)O 2066746 HKFBPSOEOJDPPJ-UHFFFAOYSA-N 314.385 3.172 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)c(F)c1 8041126 DKCRYABSBCXGKZ-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2nc3ccccc3s2)C1 8570125 YTMAUIPJKCYPRM-TXEJJXNPSA-N 303.431 3.213 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccc(Cl)cc1 8907343 IHFHBFPPRLAAPA-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2)C1 10542839 UGXOMHIGGYIGMX-OKILXGFUSA-N 308.853 3.438 0 40 DGAB COc1ccc(NC(=O)N2CC[C@@H](Nc3ccccc3)C2)cc1 58232183 QJBFURUQOHYDNV-MRXNPFEDSA-N 311.385 3.414 0 40 DGAB O=C(c1ccc2ccccc2n1)N1CCC(N2CCCCC2)CC1 58282506 OGOXDCDHDRZWBR-UHFFFAOYSA-N 323.440 3.325 0 40 DGAB Cc1ccccc1C(=O)NC1CCN(CC2CCCC2)CC1 58226360 KZPRGHDKOOEMBX-UHFFFAOYSA-N 300.446 3.379 0 40 DGAB O=C(CN1CCc2sccc2C1)NCc1ccc(Cl)cc1 10340969 DGUZAOOCEAVWTI-UHFFFAOYSA-N 320.845 3.076 0 40 DGAB O=C(Nc1c(O)c2ccccc2oc1=O)c1cccc(Cl)c1 9607233 OLUXHDREXNYHFH-UHFFFAOYSA-N 315.712 3.404 0 40 DGAB O=C(NCCc1cccs1)c1cccc(Nc2ncccn2)c1 28063667 XDDOGFWOACOAGH-UHFFFAOYSA-N 324.409 3.254 0 40 DGAB COc1cccc(-c2nc(CSc3nncn3C)cs2)c1 10800434 DGAGENOXBWEGJU-UHFFFAOYSA-N 318.427 3.240 0 40 DGAB COc1ccc(OC)c(C(=O)COC(=O)c2cccc(C)c2)c1 2627508 VNHWVGKLORZCCW-UHFFFAOYSA-N 314.337 3.052 0 40 DGAB O=C(c1cccs1)N(C(=O)c1cccs1)c1ncccn1 2727536 LMQOLPKSRGGVJC-UHFFFAOYSA-N 315.379 3.087 0 40 DGAB O=C1O/C(=C(/C(=O)O)c2ccccc2)C(O)=C1c1ccccc1 28541899 CMFBGFRHPQTELQ-JQIJEIRASA-N 308.289 3.008 0 40 DGAB CCOc1cccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1 20141432 XQTSGJHWOGDIPH-UHFFFAOYSA-N 315.325 3.050 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1C 101276600 DENOAAMECCLWPJ-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1C 22250615 JTWVYKRQCSDMNZ-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CONC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 13002510 OTGWXPUZSSYTQN-UHFFFAOYSA-N 309.325 3.003 0 40 DGAB COc1nc2ccccc2cc1CN1CCN(C)C[C@@H]1C(C)C 96003696 OYCLMNAKFFEZQH-GOSISDBHSA-N 313.445 3.015 0 40 DGAB O=C(CSc1ccccc1F)Nc1ccc(C(=O)O)cc1 13166807 LADDOBFOBGHKMM-UHFFFAOYSA-N 305.330 3.255 0 40 DGAB CCN1CCN(Cc2c(C)nc3c(C)c(C)ccc3c2O)CC1 19792156 PUIDECBIBSYSSD-UHFFFAOYSA-N 313.445 3.003 0 40 DGAB O=C(Cc1ccccc1F)Nc1ccnn1Cc1ccccc1 5256374 HOXTXBDSJLAMEP-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccccc2OC)cc1 6507752 QHDBEHPVYGRTMJ-ZDUSSCGKSA-N 319.426 3.297 0 40 DGAB O=C(OCCOc1ccc(Cl)cc1)c1n[nH]c2ccccc12 4822854 XNVBVHNXGUSBJN-UHFFFAOYSA-N 316.744 3.452 0 40 DGAB CC(=O)c1ccc(Nc2c(Cl)c(C)nc3ncnn23)cc1 4973776 NXAJUNJWMOHCDO-UHFFFAOYSA-N 301.737 3.032 0 40 DGAB Cc1ccc(NC(=O)CN2C(=O)CSc3ccccc32)cc1 4918765 SUWHCMKMPACFOD-UHFFFAOYSA-N 312.394 3.072 0 40 DGAB C[C@H](Cn1cc(Br)cn1)Nc1ccc2c(c1)COC2 97038482 STNOHYXVTNRLNO-SNVBAGLBSA-N 322.206 3.176 0 40 DGAB COc1ccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)cc1 15462108 YJJIYWWSNZAAEW-GOSISDBHSA-N 310.397 3.471 0 40 DGAB O=S(=O)(c1ccccc1)c1ccc(Oc2ncccn2)cc1 67447632 GUPVFDDMQPEYAT-UHFFFAOYSA-N 312.350 3.102 0 40 DGAB O=C(NCCc1ccc(O)cc1)Nc1cccc2cnccc12 67474630 VQDDKTYSJWDWSD-UHFFFAOYSA-N 307.353 3.305 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1COc2ccccc2C1 8114056 AJDQYYOTCMLRLL-AEFFLSMTSA-N 307.393 3.432 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 8285595 KKQNEWISHMBNMQ-NSHDSACASA-N 303.333 3.334 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)Nc2cnn(CC(F)F)c2)c1 97038011 MGORMSPMVYJPDR-SNVBAGLBSA-N 308.332 3.280 0 40 DGAB CSc1ccc(NCc2nnnn2-c2ccccc2)cc1F 71922464 GNEDDWKQNLZMRD-UHFFFAOYSA-N 315.377 3.135 0 40 DGAB CCCCCc1nnc(NC(=O)c2cnc(C)nc2CC)s1 71911008 BKKSVZPJIGZQOH-UHFFFAOYSA-N 319.434 3.184 0 40 DGAB Cc1cccc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2)c1 69810386 UPOOEGOZUGIFKM-QKKBWIMNSA-N 301.411 3.271 0 40 DGAB CC1CCN(C(=O)COc2ccc(F)c3c2C(=O)C[C@H]3C)CC1 8708929 HRORGSBSWFLXRW-GFCCVEGCSA-N 319.376 3.153 0 40 DGAB CCCNC(=O)CCCC(=O)OC1(Cc2ccccc2)CC1 97095957 AYRKVQZZMOCWGK-UHFFFAOYSA-N 303.402 3.001 0 40 DGAB CCn1cc(C(=O)C(=O)N(c2ccc(Cl)cc2)C(C)C)cn1 95444058 RNEVZFJJWSWERE-UHFFFAOYSA-N 319.792 3.181 0 40 DGAB CC[C@H](C)c1cc(C(=O)Nc2cccc(NC(=O)NC)c2)on1 95401268 XZSPBBVBBHGLPX-JTQLQIEISA-N 316.361 3.192 0 40 DGAB c1cc(-c2n[nH]c(Sc3ncnc4c3CCCCC4)n2)ccn1 95431637 RTCMFBRUJQFMKZ-UHFFFAOYSA-N 324.413 3.077 0 40 DGAB Cc1ccc(NC(=O)Cn2c(=O)sc3ccccc32)c(C)c1 95482151 HLVXCANEQMWKNK-UHFFFAOYSA-N 312.394 3.319 0 40 DGAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccccc1OCC1CC1 95400459 KRWYGGDFVNVGOG-OIISXLGYSA-N 315.413 3.019 0 40 DGAB CCOC(=O)N1CCC(N[C@H](CC)c2nc(C)cs2)CC1 89152196 VXBRAMRLCGSNRL-CYBMUJFWSA-N 311.451 3.113 0 40 DGAB CN1CCC([C@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)CC1 89375188 FLRRMJDZSCZVAY-INIZCTEOSA-N 320.864 3.073 0 40 DGAB C[C@H](CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 89953413 RYAUSUYIMUYBIS-CYBMUJFWSA-N 307.353 3.270 0 40 DGAB CC1(C)CCN1C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 89919482 NFJKNSQUXDLCOS-UHFFFAOYSA-N 320.396 3.104 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccc(F)cc2)CC1 408707008 HQWYZCJHCSVOQX-UHFFFAOYSA-N 320.408 3.485 0 40 DGAB CC(C)(CC(=O)O)c1ccc(I)cc1 26506962 TVDIBDYNMHXDST-UHFFFAOYSA-N 304.127 3.044 0 40 DGAB CC(C)[C@H](O)Cc1ccccc1-c1cnn(-c2ccccn2)c1 530251481 RWCMPGXCMISQAR-GOSISDBHSA-N 307.397 3.494 0 40 DGAB C[C@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1nnnn1C1CC1 187859022 JIUURHBQIOBFKK-LURJTMIESA-N 322.344 3.016 0 40 DGAB Cc1cc(C)c2[nH]c(C)c(CCNC(=O)c3ccccn3)c2c1 32610972 AZJSUWFBOAOXET-UHFFFAOYSA-N 307.397 3.461 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C3CC3)nc3ccccc32)cc1 35288769 KEGWKJOQLTUFTF-UHFFFAOYSA-N 312.394 3.459 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccsc2)cc1 72333927 UXLSZWNAUKTYNA-GFCCVEGCSA-N 303.383 3.091 0 40 DGAB CC(=O)c1ccc(F)c(F)c1OC[C@@H](O)Cc1ccccc1 188194745 BTNUBUAVTKMXJH-ZDUSSCGKSA-N 306.308 3.150 0 40 DGAB CCc1ccc([C@H]2CCN([C@@H](C(=O)O)c3cccnc3)C2)cc1 564583586 DUYODDQWAWFBFT-ZWKOTPCHSA-N 310.397 3.259 0 40 DGAB C[C@H](CCc1ccc(O)cc1)Nc1ccc2c(c1)OCC(=O)N2 136915328 JQSNKWIHFIASOK-GFCCVEGCSA-N 312.369 3.156 0 40 DGAB COCc1ccccc1NC(=O)Nc1cc([C@H]2C[C@@H]2C)n[nH]1 192218700 GKRCICUENIAPAL-JQWIXIFHSA-N 300.362 3.324 0 40 DGAB Cc1cccc(C)c1C(=O)c1cccc(CN2CCOCC2)c1 43211009 BBAXZJCTRIIHMV-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB Cc1nc2cc(NC(=O)N[C@@]34C[C@@H]3COC4(C)C)ccc2s1 529050803 DOZLTGXFXIOOBE-HWPZZCPQSA-N 317.414 3.294 0 40 DGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1C 222601166 XZLCIGDEYJODPA-MAZHCROVSA-N 312.442 3.318 0 40 DGAB CCOC(=O)C1CCN(C(=O)c2cc3cccc(C)c3o2)CC1 139457653 UIPASBAKBGCJFZ-UHFFFAOYSA-N 315.369 3.157 0 40 DGAB CCCCn1nc(-c2ccc(F)cc2)cc(C(=O)OCC)c1=O 225965417 CPWFJCALOIADDR-UHFFFAOYSA-N 318.348 3.026 0 40 DGAB CC(C)Nc1nc(COc2ccc(Cl)cc2)ncc1C(=O)O 49469545 RYFXFVRPVBBDCR-UHFFFAOYSA-N 321.764 3.228 0 40 DGAB C[C@@H](NCc1ccnc(N)c1)c1cccc(OC(F)(F)F)c1 193529896 JZMLSTUMLYDOPJ-SNVBAGLBSA-N 311.307 3.413 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3)c2c1 225754191 ARZMUOZGUFPYPO-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB Cc1csc(C2(NCc3cn(C(C)(C)C)nn3)CCCC2)n1 191024537 TVBJBMWCAWUFKX-UHFFFAOYSA-N 319.478 3.357 0 40 DGAB CCOC(=O)c1cn(CC(C)(C)C)c2cc(F)ccc2c1=O 199727033 UBTHFKMWDOWXAB-UHFFFAOYSA-N 305.349 3.363 0 40 DGAB CC[C@@H](C)[C@@](C)(O)CNC(=O)c1c(C)noc1-c1ccccc1 97378180 LXVBWZYMPLCGCP-XIKOKIGWSA-N 316.401 3.177 0 40 DGAB CC(C)n1ccc2ccc(C(=O)Nc3nc(C4CC4)n[nH]3)cc21 95473403 NGNFVAGROQVMPR-UHFFFAOYSA-N 309.373 3.470 0 40 DGAB CCOCCC(=O)Nc1cccc(-c2nnsc2Cl)c1 585127465 ARRRYUAATJHOTG-UHFFFAOYSA-N 311.794 3.224 0 40 DGAB CC(=O)N1CCC[C@@H](c2cccc(-c3cccc(C(=O)O)c3)n2)C1 257229880 FZVRULQDCNJKHP-MRXNPFEDSA-N 324.380 3.173 0 40 DGAB O=C(c1ccc[n+]([O-])c1)N(Cc1ccccc1)Cc1ccccc1 70039538 CHOPEMKWNHMBKS-UHFFFAOYSA-N 318.376 3.163 0 40 DGAB CO[C@]1(CNC(=O)c2cccc3ccccc23)CCSC1 96097571 BICFPDXMOOVYFV-KRWDZBQOSA-N 301.411 3.092 0 40 DGAB COc1ccc(C(=O)NCc2cncc(C3CC3)c2)cc1F 575607151 YXKJMYSXHSDSHT-UHFFFAOYSA-N 300.333 3.037 0 40 DGAB COCC[C@@H]1CN(Cc2ccccc2OC)Cc2cccn2C1 585095572 XVKQINZXFXIZHC-MRXNPFEDSA-N 314.429 3.165 0 40 DGAB Cc1cc(NC(=O)NC[C@@H](c2ccccc2Cl)N(C)C)no1 44889856 BKUHLLWOMPXTJJ-ZDUSSCGKSA-N 322.796 3.061 0 40 DGAB Cc1nn(C)c(Cl)c1CNCCOc1ccc2c(c1)CCC2 77589798 XYTAPGFTNBLYJQ-UHFFFAOYSA-N 319.836 3.039 0 40 DGAB CCC[C@]1(C)CCCN(C(=O)c2[nH]ncc2Br)C1 95962193 IRSYWSBBOQOEME-CYBMUJFWSA-N 314.227 3.215 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](C)Oc1ccccc1OC 15330022 UGEFQLFHGFZFTH-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCOCC1 19878979 ORRPPIQZKSMRDI-IBGZPJMESA-N 307.397 3.293 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@@H]3C2=O)cc1 169356073 LXKDCMXDCMYIEL-OMNBBPDLSA-N 311.381 3.177 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(Oc2cccnc2)C1 238934875 VKEJRUMIMAYBOC-UHFFFAOYSA-N 304.349 3.138 0 40 DGAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccccc1F 7006567 PXKLMBBCWIWLBG-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB O=C(CCN1CCCCC1)C(O)(c1ccccc1)c1ccccc1 1710819 NHQUCELQNYNWER-UHFFFAOYSA-N 323.436 3.368 0 40 DGAB Cc1cccnc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 6391728 UMZZIILLOFHFID-UHFFFAOYSA-N 307.353 3.104 0 40 DGAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1C 13940913 PXLIYJWCVBOXFI-VZCXRCSSSA-N 320.348 3.250 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)C(=O)c1c[nH]c2ccccc12 12376039 WAJVREBELMOYGK-UHFFFAOYSA-N 318.376 3.199 0 40 DGAB Cc1cc(C(=O)NCCCN(C)Cc2ccccc2)c(C)o1 40017225 DIONXICLBZFLRD-UHFFFAOYSA-N 300.402 3.148 0 40 DGAB CC(C)N(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1 40151500 SDWYBUCBSMVIOS-UHFFFAOYSA-N 324.833 3.334 0 40 DGAB O=C(Nc1cccnc1)c1ccccc1OCc1ccncc1 40498509 BTCVCZHYTGRKDL-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB C[C@H]1CCCCN1C(=O)Cc1csc(-c2ccccn2)n1 31865144 AUFROAKQFAMYJG-LBPRGKRZSA-N 301.415 3.149 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)/C=C/c2ccc(C)s2)c1 32359324 JHYLKLCDHDEZJE-CMDGGOBGSA-N 314.410 3.345 0 40 DGAB COc1ccc(CC(=O)N2CCc3sccc3[C@@H]2C)cc1 32781392 JYSTWSQMGWDASE-LBPRGKRZSA-N 301.411 3.445 0 40 DGAB Cc1cc(NC(=O)NCCCO[C@H](C)c2ccccc2)no1 32841344 XLTLOYREPYPVAF-CYBMUJFWSA-N 303.362 3.272 0 40 DGAB C[C@@H]1CC[C@H](OC(=O)CCC(=O)Nc2nccs2)C[C@H]1C 103009268 QOTJCLZJYOZYKD-UTUOFQBUSA-N 310.419 3.230 0 40 DGAB CC(=O)Nc1sccc1S(=O)(=O)c1ccc(C)c(C)c1 23118446 WFBGKTNUNIPUCO-UHFFFAOYSA-N 309.412 3.156 0 40 DGAB CS[C@@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 43008425 KDMHQVNEVVAHHH-GXTWGEPZSA-N 321.442 3.263 0 40 DGAB COc1cc(CN[C@@H](C)c2sc(C)nc2C)cc2c1OCO2 55173257 OAXRBSXHCHAEOG-VIFPVBQESA-N 320.414 3.348 0 40 DGAB FC(F)(F)c1c(Br)cccc1N1CCOCC1 95081268 HHAYALWPZVXQTI-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 106638379 VFHOLZJMMSXFPZ-RTBURBONSA-N 323.440 3.284 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N1CCC[C@H]2CCC[C@@H]21 78941683 UCRGWMAGYVGBOK-RISCZKNCSA-N 305.447 3.495 0 40 DGAB Cc1cc(N2CCC[C@H](C)C2)nc(CN2CCC[C@H](C)C2)n1 79109553 MKLRPKGXRWFXFL-GJZGRUSLSA-N 302.466 3.253 0 40 DGAB CC(=O)c1ccc(NCc2nc(Cc3ccccc3)no2)cc1 55824273 CSORIYNBLIKEJJ-UHFFFAOYSA-N 307.353 3.475 0 40 DGAB CCN(CC)C(=O)[C@@H](C)n1nc(C(F)(F)F)c(Cl)c1C 2778973 HTJODZWBKSORPD-MRVPVSSYSA-N 311.735 3.293 0 40 DGAB COC(=O)[C@H](N[C@@H](C)c1ccccc1OC)c1ccc(F)cc1 84660867 REWBEPZQIMDMMD-YVEFUNNKSA-N 317.360 3.399 0 40 DGAB COc1ccc2c(c1)[C@H]1[C@@H]3O[C@@H](c4ccccc43)[C@@H]1[S@@](=O)N2 6174612 QZUQIGFOFFTNRG-MRNZGAJFSA-N 313.378 3.063 0 40 DGAB O=C(O)c1cccc2cccc(C(=O)OCCc3ccccn3)c12 6403048 IVXZGUMGQGKBIY-UHFFFAOYSA-N 321.332 3.333 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3cccc4cccnc34)CC[C@@]1(C)C(=O)O2 6702153 IIQXVRNRNHOADW-RBUKOAKNSA-N 324.380 3.295 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCCO2 12602519 IITGYQADBWEVOH-NSHDSACASA-N 316.332 3.480 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccccc2F)c1C 1993443 VHOQOMOOICRRLY-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1nc2ccccc2n1CC(=O)N1CCSc2ccccc21 58054626 JLTRXEPOPPSDMX-UHFFFAOYSA-N 323.421 3.484 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@@H](c1ccccc1)C(C)C 10204418 MLAFFWOVLJMJFR-MRXNPFEDSA-N 306.406 3.025 0 40 DGAB O=C(Nc1cccc(F)c1)Nc1cnn(Cc2ccncc2)c1 58222651 AMSLZBBXFITLLV-UHFFFAOYSA-N 311.320 3.110 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)CC2(C(=O)O)CCCC2)c1 58405465 LTTAETIQSKKNDL-UHFFFAOYSA-N 318.373 3.009 0 40 DGAB C[C@@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)C1 28018121 XRQMSDPDMGLWGW-IZPAUZPXSA-N 301.386 3.120 0 40 DGAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OC[C@@H]2CCCO2)c1 48189115 YAZRYHAHSZTMDX-OCCSQVGLSA-N 307.390 3.238 0 40 DGAB O=C(NCCCn1cccn1)Nc1ccccc1C(F)(F)F 27928583 NMHNYJPPGCHDFN-UHFFFAOYSA-N 312.295 3.114 0 40 DGAB C[C@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(F)cc1 11893283 MYGJDQRKQLRDNZ-JTQLQIEISA-N 305.378 3.476 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2ccccn12 48374336 REFOTVVOEVJKRP-VIFPVBQESA-N 318.739 3.013 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)[C@H](C)c3ccccn3)c2)o1 73105101 QWVRLFXZSOZOIO-GFCCVEGCSA-N 322.368 3.273 0 40 DGAB CCOC(=O)N1CCC(NC[C@H]2C[C@@H]2c2ccccc2)CC1 89153727 XPDJYFXWBKJJAK-NVXWUHKLSA-N 302.418 3.001 0 40 DGAB CCc1nc(CS[C@H](C)C(=O)Nc2cc(C)no2)cs1 89289966 SUFRTZSUMFXKOD-SECBINFHSA-N 311.432 3.262 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N[C@H]1CCc2ccccc21 13001902 QMWFOLDFTHDURZ-BBRMVZONSA-N 310.397 3.299 0 40 DGAB CCOc1ccccc1OCc1nn2c(C(C)C)nnc2s1 13566115 KLMKAFVCZGKQBK-UHFFFAOYSA-N 318.402 3.287 0 40 DGAB COCc1nc(C(=O)NC2(c3ccc(F)cc3)CCC2)cs1 65068656 COKXMSCJZFVYDR-UHFFFAOYSA-N 320.389 3.238 0 40 DGAB CN(CCc1ccccn1)c1ncnc2c1oc1ccccc12 6319934 LPLBQHWSJSBYPI-UHFFFAOYSA-N 304.353 3.450 0 40 DGAB COc1ccccc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 5379677 ZNWVWVSZLXTHQK-ZDUSSCGKSA-N 320.389 3.033 0 40 DGAB COC(=O)c1cccc(CSc2nnc(-c3ccc[nH]3)o2)c1 14184533 DBWPDJBJWPVKIG-UHFFFAOYSA-N 315.354 3.144 0 40 DGAB O=C1N/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccc(F)cc1 4699089 MWMPSFHVEZJOIS-DHDCSXOGSA-N 314.291 3.058 0 40 DGAB Cc1cnc([C@@H](C)NC(=O)N2CCc3cc(F)ccc3C2)s1 94005926 RCMFPDIZVTXCFT-LLVKDONJSA-N 319.405 3.420 0 40 DGAB Cc1cnn(C2CN(Cc3ccccc3Oc3cccnc3)C2)c1 71876849 QFZNAHHCLAEHSA-UHFFFAOYSA-N 320.396 3.436 0 40 DGAB CC(C)c1cc(C(N)=O)c(NC(=O)c2cccc(C#N)c2)s1 27926695 AGGXXNLMGJUPEL-UHFFFAOYSA-N 313.382 3.094 0 40 DGAB Cc1ccc(-c2nnc(Cn3c(=O)oc4ccc(C)cc43)o2)cc1 6758687 JMZWFILUAWWLGF-UHFFFAOYSA-N 321.336 3.310 0 40 DGAB Cc1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1 14848850 RNIVPVWTTKWNBD-UHFFFAOYSA-N 307.353 3.068 0 40 DGAB Fc1ccccc1CN1CCC(CNCc2cccnc2)CC1 71885902 MYBIOWNHFKYMHJ-UHFFFAOYSA-N 313.420 3.223 0 40 DGAB Cc1cnccc1NC(=O)[C@H](c1ccccc1)N1CCCCC1=O 66638832 ZJNBGYORLGIVPZ-SFHVURJKSA-N 323.396 3.082 0 40 DGAB O=c1[nH]c(CN2CCc3ccccc32)nc2sc3c(c12)CCC3 6909470 HCMGVDYGDAVLHQ-UHFFFAOYSA-N 323.421 3.036 0 40 DGAB O=C(Cc1ccccc1)NCCc1csc(-c2ccccn2)n1 19942290 SFJORFHCQFXHFN-UHFFFAOYSA-N 323.421 3.107 0 40 DGAB C[C@@H](c1ccccn1)N(C)Cc1nnc(-c2cccs2)o1 95977305 GIRIBXJHGZTZBG-NSHDSACASA-N 300.387 3.386 0 40 DGAB CCN(CC)C(=O)CN(C)c1ncc(C(F)(F)F)cc1Cl 67948603 KPEIDYSSGHKECJ-UHFFFAOYSA-N 323.746 3.058 0 40 DGAB CCOc1ccc(Nc2nc(C)c(C(=O)N(C)C)s2)cc1 8186662 LZKVBFOKYXRYQK-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB Cc1ccc(-c2noc(CN3CCC[C@H]3c3cnn(C)c3)n2)cc1 70019469 IBMAFPHRFWVOOY-INIZCTEOSA-N 323.400 3.116 0 40 DGAB O=C(/C=C/c1ccsc1)N1CC[C@@H](CN2CCCCC2)C1 72297640 WGVKFXLYFVSJQB-APHBUQMISA-N 304.459 3.096 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc(C)cc2O)cc1OC 8378328 LZHBERTZSMBCGH-UHFFFAOYSA-N 315.369 3.289 0 40 DGAB CC(C)c1ccc(CCC(=O)N2CCCN3CCC[C@@H]3C2)cc1 69434308 LHSQRPYCBXQDGP-LJQANCHMSA-N 314.473 3.439 0 40 DGAB NCCCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 97019125 OJIOYYQXYLPELT-AWEZNQCLSA-N 314.351 3.498 0 40 DGAB CCn1c(C)cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)c1C 69976361 VCAUEEMESQCZTC-INIZCTEOSA-N 314.433 3.107 0 40 DGAB O=C(Nc1ccc(O)cc1)Nc1ccc(Cn2cccn2)cc1 97104797 IFRGOSSFXLZKAK-UHFFFAOYSA-N 308.341 3.281 0 40 DGAB Cc1nc(-c2ccccc2)sc1NC(=O)Nc1cnn(C)c1 97372895 QZJWHUFYKNHSPO-UHFFFAOYSA-N 313.386 3.496 0 40 DGAB O=C(Nc1cnn(-c2ccccn2)c1)N1CCC[C@@H]2CCC[C@@H]21 86298669 PICMBAOMIRWSJZ-ZFWWWQNUSA-N 311.389 3.064 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c(C)s1 89582368 PSSFGIFBBDQHAT-QWRGUYRKSA-N 306.435 3.220 0 40 DGAB C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCCO1 75782951 DOJYUXLIHXRZBI-GUYCJALGSA-N 319.836 3.242 0 40 DGAB CCOC(=O)c1c(C)n(C)c2cc(Br)c(O)cc12 36687 ASDKWGKYKLXCAQ-UHFFFAOYSA-N 312.163 3.132 0 40 DGAB biogenic COc1ccc(-c2ccc([C@H]3CCCN(C(C)=O)C3)nc2)cc1 72387167 RPLPOXHMZXGURT-KRWDZBQOSA-N 310.397 3.483 0 40 DGAB COc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)c(C)c1 36614142 YSRTXXUCUCPESO-UHFFFAOYSA-N 311.341 3.409 0 40 DGAB Cc1cnc(CNC2(c3ccc(Cl)cc3)CCOCC2)cn1 78665122 CVVWQTPCZHQOBZ-UHFFFAOYSA-N 317.820 3.234 0 40 DGAB Cc1ccc(-c2c(C)nn3c(N(C)CCO)c(C)c(C)nc23)cc1 72341709 XYCBUCQHLPBQJK-UHFFFAOYSA-N 324.428 3.058 0 40 DGAB CC[C@](O)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 72208772 GYUAVEAGNWTQAY-GWCFXTLKSA-N 311.344 3.337 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2C)cc1 72211300 CDOSHTVYIZARMD-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB Cc1csc(Nc2cc(C3CN(C(C)C)C3)nc(C)n2)n1 72382650 FRSRIRVNHJGNJK-UHFFFAOYSA-N 303.435 3.101 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 72227486 FYNFMFOMPCYPJZ-LSDHHAIUSA-N 320.314 3.429 0 40 DGAB CC1(C)Cc2occc2[C@@H](NCc2nnc3n2CCCC3)C1 183848662 RPFSKJLGEWUKEV-ZDUSSCGKSA-N 300.406 3.011 0 40 DGAB COc1ccccc1CCCNC(=O)Cc1ccccc1F 225448144 NJAZFBBOJMZGNL-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@@H](CC(=O)O)c2ccccc2)C1 226750800 IJDRUHJABQUVLE-FMKPAKJESA-N 303.402 3.140 0 40 DGAB COc1ccc(O[C@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225037309 LZTNTIAQLOXGNV-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CSCc1cc(F)ccc1CNC(=O)Cc1cccc(O)c1 88467459 RTAGXUPANGLIHC-UHFFFAOYSA-N 319.401 3.253 0 40 DGAB Cc1ccnc(NC(=S)NCCCN(C)c2ccccc2)c1 225749207 NQUHLRBLBSYCKL-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1F 45715806 JQFARIFLDKJDHN-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCOc2ccccc2C)c1 224134994 CARPHUNFOCMCDO-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB COc1ccccc1C[C@H]1CCCN1C(=O)Nc1nccs1 69676288 FQQGYSZIPJGCLK-CYBMUJFWSA-N 317.414 3.391 0 40 DGAB COc1cccc(C[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 228910096 GMOGCQUWTDDHKS-AWEZNQCLSA-N 319.401 3.064 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3cccc(F)c3)c2c1 225754744 YLKBXFVXBGDJGR-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB Cc1cc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)on1 195539013 CEOWBGUVUFOUGF-GOEBONIOSA-N 304.390 3.444 0 40 DGAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccco1 45890617 BKTPYBIWPIDJBX-UHFFFAOYSA-N 303.387 3.058 0 40 DGAB CCCOc1ccc(NC(=O)N[C@H]2CCC[C@@H]2CO)c(C)c1 96434212 AALGIJFYGJFAFK-CJNGLKHVSA-N 306.406 3.066 0 40 DGAB CC(C)(C[C@@H]1CCCN(C(=O)NC2C[C@H]3C[C@@H]3C2)C1)C(=N)O 333447462 XURZTWSDUOZUCV-YNEHKIRRSA-N 307.438 3.158 0 40 DGAB c1cc(CO[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)ccn1 96106859 CJVBHSZOGROLEA-SFHVURJKSA-N 316.445 3.022 0 40 DGAB CCOC(=O)N1CCC(N[C@H](c2ncc(C)s2)C2CC2)CC1 96494303 UEOXPINBDUPVTO-AWEZNQCLSA-N 323.462 3.113 0 40 DGAB O=[S@@](CCc1ccccc1)Cc1ccc(-n2cccn2)cc1 96404399 ZFKLQZUZGIXKEC-JOCHJYFZSA-N 310.422 3.364 0 40 DGAB CC(C)(C)c1csc(CC2CCN([C@H]3CCOC3=O)CC2)n1 585115986 CKCMGPRSIDQJII-ZDUSSCGKSA-N 322.474 3.011 0 40 DGAB O=C(c1ccsc1)N1CCCC[C@@H]1c1ccn2ccnc2n1 257238405 HKVNDUFPFMDBEH-CQSZACIVSA-N 312.398 3.158 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1cc(-c2nc(C)cs2)nc(C)n1 257246292 ITLZYUKGZBDULG-OAHLLOKOSA-N 316.430 3.290 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 257296229 RBVBGTFQBMSNKR-GFCCVEGCSA-N 302.378 3.115 0 40 DGAB CCOC(=O)Nc1ccccc1Cc1nc(-c2ccncc2)no1 96119641 HDTXTPQGZVLMDS-UHFFFAOYSA-N 324.340 3.291 0 40 DGAB O=C(c1ccc2[nH]ccc2c1)N1CCC(Oc2ccccn2)CC1 96096851 WWMXWRODKCSYPV-UHFFFAOYSA-N 321.380 3.247 0 40 DGAB CC[C@@H](C)n1ncc(NC(=O)N2C[C@H](C)OC(C)(C)C2)c1C 390833674 LIAPWPCHNYRWNO-NEPJUHHUSA-N 308.426 3.194 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Cc1ccc(Br)s1 72564801 FNQMPLXQCFKTNC-UHFFFAOYSA-N 314.208 3.032 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(C3CC3)on2)no1 76044241 NNZDUXUAFQCXOA-LBPRGKRZSA-N 316.361 3.036 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2cc(F)cc(F)c2)CC1 49075634 IHPMYFLBNBDOQD-UHFFFAOYSA-N 310.388 3.159 0 40 DGAB Cc1ccc(CN[C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1 95988586 PAPYFBBALJDCJH-SJORKVTESA-N 304.340 3.288 0 40 DGAB COc1cc(Br)c([C@@H](O)C(F)(F)F)cc1OC 42268433 NWFAVNWQIGDZSJ-SECBINFHSA-N 315.085 3.062 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)no2)c1 13495464 QMPCEKVHGUYIJW-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB CCc1nnc(SCCCOc2ccccc2C=O)n1CC 15422840 PAMXLMKLBVTFAZ-UHFFFAOYSA-N 319.430 3.234 0 40 DGAB CC1(NC(=O)Cn2c(C(F)(F)F)nc3ccccc32)CCC1 19461167 DAYRZUXLWHIGFS-UHFFFAOYSA-N 311.307 3.114 0 40 DGAB O=C(Nc1cnn(CC2CCOCC2)c1)c1cccc(Cl)c1 206836328 WDEFXIPZDVWSKH-UHFFFAOYSA-N 319.792 3.215 0 40 DGAB Cc1cc(NC(=O)C2CCCCC2)cc2sc(NN)nc12 226312616 YPQMGEVJXMWGNV-UHFFFAOYSA-N 304.419 3.409 0 40 DGAB COC(=O)CCCC(=O)N1CCCC[C@@H]1CSC(C)(C)C 390830438 LDHHYIPYYFFDLO-CYBMUJFWSA-N 315.479 3.243 0 40 DGAB COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)c(OC)c1 4195221 YKUWZRVSEVXTHZ-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)c1c[nH]c2ccccc12 5196136 PSOBVRONUCTUFL-LLVKDONJSA-N 312.325 3.201 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2)c1 24582280 YMTGLEBFWFQCPW-UHFFFAOYSA-N 310.332 3.356 0 40 DGAB Cc1cccn2cc(-c3ccccc3NC(=O)[C@@H]3CCOC3)nc12 206902210 QLJMPZZIXNZTTJ-CQSZACIVSA-N 321.380 3.285 0 40 DGAB Cc1ccc2c(NC(=O)C3CCC([C@H](C)N)CC3)ccnc2n1 116505268 MNMZLBOCGXSRCG-HSBZDZAISA-N 312.417 3.030 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@H]1CCC2=O 4063371 XRCFMDPVHKVRDJ-JZFYCYHFSA-N 300.398 3.266 0 40 DGAB endogenous,in-man CC(=O)c1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 100059540 IEOCZOQZXTVXMY-CWLKWCNXSA-N 321.376 3.147 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1cccc(Cl)c1 100038735 NHPQBTUVOXYENI-QFEQQRJNSA-N 317.772 3.047 0 40 DGAB COc1ccc(NC(=O)NCCCOCC2CC2)cc1Cl 40024011 MCXQBTSTVHUAPS-UHFFFAOYSA-N 312.797 3.287 0 40 DGAB COc1ccc(C2=C[C@H](c3cccs3)n3ncnc3N2)cc1 100834908 CMIFCKMWXAZVJK-CQSZACIVSA-N 310.382 3.404 0 40 DGAB Cc1cccc(NC(=O)N2CCN(Cc3cccs3)CC2)c1 20544188 NBKXCNSWIPSLGX-UHFFFAOYSA-N 315.442 3.406 0 40 DGAB CCOc1ccccc1CN1CCC(C(=O)N[C@@H](C)CC)CC1 299620 OUSDROFTWHVKMI-HNNXBMFYSA-N 318.461 3.212 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cc(Cl)ccc1Br 32772221 AZHXBWIWVFCPFR-VIFPVBQESA-N 318.598 3.011 0 40 DGAB Cc1cnc(C(=O)Nc2cccnc2Oc2ccccc2)cn1 32922919 OVAGGFKKOUHSTP-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB CC[C@H](C)c1ccc([C@@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 103317860 YVZLENUKTCTYMI-ZENOOKHLSA-N 319.449 3.070 0 40 DGAB C[C@@H](OC(=O)[C@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)cn1 104897644 AHTMGQOZTDQHKR-BLFANLJRSA-N 322.792 3.041 0 40 DGAB CC(C)(CC(=O)O)CC(=O)N[C@@H](c1ccccc1)c1ccco1 54500365 AKVVKQMTPQWXQV-KRWDZBQOSA-N 315.369 3.376 0 40 DGAB CC(C)(C)N[C@@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 24302966 RVAVPEJHWKEIHQ-SECBINFHSA-N 313.612 3.094 0 40 DGAB Clc1ccc([C@@H]2C[C@H](c3ccccc3)n3nnnc3N2)cc1 113682 JEFUWWLIRCCMCZ-LSDHHAIUSA-N 311.776 3.473 0 40 DGAB COc1ccc(C(=O)[C@H](CN(C)C)c2ccc(OC)cc2)cc1 1665785 GZANJSHFALBLSZ-GOSISDBHSA-N 313.397 3.232 0 40 DGAB CCCCc1nnc2sc(-c3ccc(OC)cc3OC)nn12 11277996 XQCNKTPKBKZBQW-UHFFFAOYSA-N 318.402 3.213 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 11500385 GZHHSCNCCRQPCT-JTQLQIEISA-N 322.817 3.324 0 40 DGAB C[C@H]1c2cccn2CCN1C(=O)Cc1c(F)cccc1Cl 29379070 WIXIBUZQCHTTSK-NSHDSACASA-N 306.768 3.427 0 40 DGAB O=C(NCCc1ccccc1F)c1ccc(Cn2cccn2)cc1 10429289 MAJNGLXTXQLIQS-UHFFFAOYSA-N 323.371 3.043 0 40 DGAB COc1ccc(CNCc2ccc(F)cc2)c(OC)c1OC 8473547 QOQXOLHNSCCGNB-UHFFFAOYSA-N 305.349 3.141 0 40 DGAB CCCCc1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 8782384 TURUHXUBHABVKB-UHFFFAOYSA-N 324.424 3.327 0 40 DGAB CCc1nc(CCNC(=O)[C@H]2C[C@H]2c2ccccc2)sc1C 69493784 YNACBPCHRRXXSM-GJZGRUSLSA-N 314.454 3.476 0 40 DGAB Cc1ccccc1-c1ccnc2nc(N3CCCCC3)[nH]c(=O)c12 20635636 MGXJYBIRUFUALD-UHFFFAOYSA-N 320.396 3.284 0 40 DGAB CCc1ccc(-c2nc(C3(NC(C)=O)CCCCC3)no2)o1 69485432 QIFUYEYTTWMXTA-UHFFFAOYSA-N 303.362 3.188 0 40 DGAB COC(=O)[C@@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccc(C)cc1 12338622 PAGXKYMJVPYEDR-ZWKOTPCHSA-N 323.392 3.103 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccccc2F)CC1 22592005 ZEOVXXXBELGGDP-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB c1cncc(CN[C@H]2CCCc3nc(-c4cccnc4)ncc32)c1 55061141 QMXSTGQHMWHEHL-KRWDZBQOSA-N 317.396 3.101 0 40 DGAB Cc1ccc2nc(CNc3cccc4c3CCCC4)cc(=O)n2c1 12595671 PNRXBXMUWLNOSU-UHFFFAOYSA-N 319.408 3.494 0 40 DGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)N1CCCCC1 1390231 HLZKPSDFQVCYAY-UHFFFAOYSA-N 311.307 3.068 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25012598 IZKJYGMVICEKIG-MFKMUULPSA-N 309.793 3.420 0 40 DGAB c1ccc(C[C@@H]2CCCN2Cc2nc(-c3cccnc3)no2)cc1 55528369 AAUSBQQBZZFZIF-KRWDZBQOSA-N 320.396 3.339 0 40 DGAB CNC(=O)c1ccc(NC(=O)NC2CCC(C)CC2)c(C)c1 48187925 KFFQOXHXOOUKMP-UHFFFAOYSA-N 303.406 3.055 0 40 DGAB CN(C)c1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 44868527 YADLHWKTMWRXEM-GFCCVEGCSA-N 300.324 3.167 0 40 DGAB COc1cccnc1NC(=O)c1nc(-c2cccs2)oc1C 58416858 VHWLIJDISBRJJY-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB Fc1ccc(-n2ncc3c(NCCc4ccco4)ncnc32)cc1 12746108 RCKHRIBDWWOPJM-UHFFFAOYSA-N 323.331 3.202 0 40 DGAB COc1ccc(CN(C)C(=O)NCc2ccccc2F)cc1 17117742 JEUBFTARQAUBDP-UHFFFAOYSA-N 302.349 3.176 0 40 DGAB COc1ccc([C@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)cc1 48324369 IUXIBHYGDCVOED-MAUKXSAKSA-N 316.445 3.091 0 40 DGAB C[C@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1ccsc1 48374679 FRNPETHFAIUDIV-SWLSCSKDSA-N 320.458 3.107 0 40 DGAB CCc1ccc([C@H](C)Nc2nn3c(=O)cc(C)nc3s2)cc1 12886793 DOWDPHQHLBKVIG-NSHDSACASA-N 314.414 3.195 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2CCc3ccccc32)c1C 3452119 JFZYMJULJAOZSZ-UHFFFAOYSA-N 309.365 3.050 0 40 DGAB Cc1cccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)c1 3544705 GWPXQDXAAQXIIB-CQSZACIVSA-N 309.365 3.130 0 40 DGAB COc1ccccc1CNCc1ccc(-n2nc(C)cc2C)nc1 48742462 YCUSUWCBSKEZNJ-UHFFFAOYSA-N 322.412 3.183 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc3oc(C)nc3c2)cc1 8109906 FDKXUJSSCAHLSP-UHFFFAOYSA-N 302.355 3.245 0 40 DGAB C[C@H]1C[C@@H](Sc2nnc(NC3CCCCC3)s2)C(=O)O1 49304916 JSOQBLOIFCWOFG-WCBMZHEXSA-N 313.448 3.079 0 40 DGAB Cc1ccc(CC(=O)NC(C)(C)c2noc(C(C)(C)C)n2)s1 63958539 VLQKRQKXCYBQFU-UHFFFAOYSA-N 321.446 3.331 0 40 DGAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)c(C)c1 4143780 STEZSPHFNBRFRC-SFHVURJKSA-N 324.405 3.188 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2nnc(C(F)(F)F)[nH]2)cc1 6169307 UWJWODLSWYBOCG-UHFFFAOYSA-N 312.295 3.373 0 40 DGAB O=C(COC(=O)/C=C/c1ccco1)NC1CCCCCCC1 6226080 UZRSQZWJBKAWBH-ZHACJKMWSA-N 305.374 3.065 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2ccncc2)ccc1OC(F)F 5226938 ROKPJUHHQXFOQD-SNVBAGLBSA-N 322.311 3.183 0 40 DGAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc2c(c1)CCC2 14095785 WNVUUEKBIKYKQC-UHFFFAOYSA-N 320.348 3.487 0 40 DGAB CC1CCN(c2nc3nccc(-c4ccccc4)c3c(=O)[nH]2)CC1 22606907 KSTNQHDGCGJIAD-UHFFFAOYSA-N 320.396 3.221 0 40 DGAB CC[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(-c2ccccc2)c[nH]1 65554070 AENRFYBNXVIGJO-GJZGRUSLSA-N 313.401 3.213 0 40 DGAB CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 65565544 IYJGHTYTDSGDDZ-CABCVRRESA-N 301.365 3.420 0 40 DGAB O=c1c(-c2ccccc2)nnc2sc(-c3ccc(F)cc3)nn12 8393678 RDJTZIYYEHDRRW-UHFFFAOYSA-N 324.340 3.019 0 40 DGAB CC(C)C(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 65625593 FPCZEERIIPDADB-ZWKOTPCHSA-N 300.446 3.298 0 40 DGAB CN(C(=O)c1cccnc1)[C@H](c1cccc(F)c1)c1ccccn1 69581561 CKVPCCLRSNAKLP-GOSISDBHSA-N 321.355 3.477 0 40 DGAB CCOC(=O)CCCNc1ncnc2sc3c(c12)CCCC3 5559485 OHJNXFQIDLETEE-UHFFFAOYSA-N 319.430 3.325 0 40 DGAB c1csc(-c2nnc(COc3nncc4ccccc34)o2)c1 6640022 XBIQPAGPJOJZQH-UHFFFAOYSA-N 310.338 3.320 0 40 DGAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCO1 4751769 XLGZGTLRPCCBTR-MRXNPFEDSA-N 310.353 3.056 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)s1 5975402 HQVAFOMULXJEHK-WCFLWFBJSA-N 309.431 3.154 0 40 DGAB Cc1csc([C@H](C)CNC(=O)NCc2ccc(C)s2)n1 96013774 NTYXHRHLAABRCK-SECBINFHSA-N 309.460 3.424 0 40 DGAB COc1cccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)c1 71817242 INXFLIYLPHQHOM-UHFFFAOYSA-N 324.302 3.196 0 40 DGAB COCCCN(C)C(=O)N[C@@H](C)c1nc(C(C)(C)C)cs1 71882584 VTTYDKIBDNFUJO-NSHDSACASA-N 313.467 3.180 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1cnc2c(C)cccn12 72298473 FGSQNCAXCQZJRG-INIZCTEOSA-N 309.417 3.026 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72282149 GWIYGTXWWRWRJB-DZGCQCFKSA-N 322.474 3.371 0 40 DGAB O=C(Nc1ccccc1F)N1CC[C@@H](CN2CCCCC2)C1 75502501 WDRHRSDASVFOMV-AWEZNQCLSA-N 305.397 3.165 0 40 DGAB CC[C@@H](NCc1nnc(C)o1)c1nc(C(F)(F)F)cs1 97111013 YZFIIWJJPJIJHV-SSDOTTSWSA-N 306.313 3.094 0 40 DGAB COC(=O)CN(C(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C)c1ccccc1 84670928 UROFLUGCQFSDRE-RDJZCZTQSA-N 315.413 3.431 0 40 DGAB C[C@@H](CC[C@@H]1CCCO1)NCc1cccc2c1OCCCO2 95393606 YPKWTKUVHDVFOP-HOCLYGCPSA-N 305.418 3.285 0 40 DGAB Cc1oc2ncnc(NCc3ccnc(-n4ccnc4)c3)c2c1C 95434859 GQTQPTQPPMGBSO-UHFFFAOYSA-N 320.356 3.032 0 40 DGAB COc1c(Cl)cccc1NC(=O)NCCc1ccncc1C 95437894 JGZPJROMKRFGJZ-UHFFFAOYSA-N 319.792 3.416 0 40 DGAB O=C(NCCc1ccncc1)N(CC1CC1)C1CCCCC1 95417684 DFQTWNSRLMQTHL-UHFFFAOYSA-N 301.434 3.378 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2o1)[C@@H](O)c1ccc(F)cc1 95429985 TUFQWRNRSRAHOV-APPDUMDISA-N 313.328 3.424 0 40 DGAB CCCn1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21 84760555 AIBYDHYJELNTMB-OAHLLOKOSA-N 323.444 3.310 0 40 DGAB O=S(=O)(CC1CCCC1)c1cc2c(cc1Cl)OCCO2 78799457 HVAMCLMUYBSGHK-UHFFFAOYSA-N 316.806 3.075 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCCN(c2ccccc2F)C1 95977610 YHVOKEXEVWRJPL-CYBMUJFWSA-N 302.349 3.126 0 40 DGAB C[C@H](NC(=O)CSc1ccncc1)[C@@H](C)c1ccccc1 78974544 JQEVLUHAOOXQGH-KGLIPLIRSA-N 300.427 3.482 0 40 DGAB CC(C)n1cc(I)c(C(F)(F)F)n1 408717171 WNFVFNKDBSJJDO-UHFFFAOYSA-N 304.053 3.087 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O 79005087 RRFFDOLHPWGTNS-KKXDTOCCSA-N 310.397 3.014 0 40 DGAB CCc1cnc([C@@H](C)NC(=O)Cc2ccccc2OC)s1 79018865 UATPQUVYVFRVGX-LLVKDONJSA-N 304.415 3.134 0 40 DGAB COC[C@@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 89409946 MCFSSNSQENAEKJ-CYBMUJFWSA-N 312.413 3.155 0 40 DGAB COc1cccc(-c2nc3nc(-c4ccccc4)oc3c(=O)[nH]2)c1 61997339 LNJBKYDOYPAWHE-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB Cc1cccc(CSc2nnc(-c3cc(C)n(C)n3)o2)c1 28579025 ICQWEZHBBRVHJB-UHFFFAOYSA-N 300.387 3.379 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)OCc3ccccn3)n2)cc1 31033785 SETAFPXNSSIDNO-UHFFFAOYSA-N 323.352 3.116 0 40 DGAB COCCn1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)n1 189489505 XDVTYOBPKMGWLX-INIZCTEOSA-N 319.449 3.105 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)CCO1 182812680 VJNZAGFUPVBRLR-DUVNUKRYSA-N 321.392 3.108 0 40 DGAB O=C1N=C(N2CCCCC2)N/C1=C\c1csc2ccccc12 77024345 NVIBYCTZDOIYEX-UVTDQMKNSA-N 311.410 3.214 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(NC(C)=O)c2)cc1C 74959674 OOWXNOXCVZTEBI-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB Cc1cnc([C@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)s1 78309482 FKRWSOUWTZTUBH-WCQYABFASA-N 317.414 3.336 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1ccccc1 129340089 UBCBQQPXDJUDFE-WMZOPIPTSA-N 317.477 3.367 0 40 DGAB Cc1csc(NC(=O)CN(C)c2nc3ccccc3s2)n1 70640840 RYIGHMDSBOFZFE-UHFFFAOYSA-N 318.427 3.136 0 40 DGAB CCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832140 SECOQWABEOVOIH-GFCCVEGCSA-N 315.244 3.342 0 40 DGAB CN(C)CCCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1 72264829 CJKCMAYIDZKAEB-UHFFFAOYSA-N 322.792 3.407 0 40 DGAB COc1cc(/C=C/C(=O)O)cc(Cl)c1OCc1cccnc1 216892886 KDCPEYKCACFFPW-SNAWJCMRSA-N 319.744 3.420 0 40 DGAB CSc1nsc(SCC(=O)N[C@@H]2CCCC[C@H]2C)n1 72333693 BNQLTUAAJNDASP-RKDXNWHRSA-N 317.505 3.047 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)CCn1ccccc1=O 88465175 JWJZZMSCINQLBR-UHFFFAOYSA-N 314.385 3.015 0 40 DGAB CC[C@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C)cc1 568318642 WBZFFGZHFOWSQT-GOSISDBHSA-N 317.454 3.436 0 40 DGAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225692367 CBSDXTDAJDQWSQ-GOSISDBHSA-N 322.449 3.161 0 40 DGAB CCc1noc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 46087163 GKIHWKFPEQIWQQ-LBPRGKRZSA-N 319.792 3.305 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NC(=O)Nc2ccccc2)CC1 46902428 HFGCAILZJBRUQK-UHFFFAOYSA-N 319.405 3.208 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNC1CCN(c2ncccn2)CC1 191092232 UWGVNDOOTVHTNM-RDJZCZTQSA-N 300.450 3.027 0 40 DGAB CC(C)[C@H](NC(=O)CC[S@](C)=O)c1ccc(Cl)cc1F 195557822 ODWVQSPKUVEVBB-XOBRGWDASA-N 319.829 3.061 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCc1ccc(F)cc1 224414076 CTTLQBFNUIYTHG-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB Cc1ccc(CC(=O)N(CC(F)F)c2ccc(F)cc2)cn1 193865647 UYMYEVWIQIFRRC-UHFFFAOYSA-N 308.303 3.370 0 40 DGAB c1cncc(-c2cccc(CN3CCC(n4cncn4)CC3)c2)c1 92647814 FNHQGTVBOAXEQK-UHFFFAOYSA-N 319.412 3.177 0 40 DGAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3cccs3)[C@H]2C1 96054181 PREYUXSRFVAGLC-HIFRSBDPSA-N 316.426 3.078 0 40 DGAB O=C(Nc1nccs1)[C@@H]1CCCN(c2ccncc2Cl)C1 95408545 QFUGDGWWMZWAOP-SNVBAGLBSA-N 322.821 3.047 0 40 DGAB c1cc(CN2CCC3(CC2)CO[C@H](COCC2CC2)C3)co1 96105963 OBYMXCUXOZEOHK-KRWDZBQOSA-N 305.418 3.077 0 40 DGAB Cc1cc(NC(=O)N(C)[C@H]2CCCN(c3ccccc3)C2)on1 96406787 HSMSMODDFKWSEW-HNNXBMFYSA-N 314.389 3.116 0 40 DGAB CCc1nc(C)c([C@H](C)N(C)C(=O)NCc2cc(C)on2)s1 96439463 OJXNREUETIJPHK-NSHDSACASA-N 322.434 3.213 0 40 DGAB COc1ccc(SCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 260529566 KEMKNYHUDSMERR-SGMGOOAPSA-N 321.442 3.101 0 40 DGAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccoc1 96119809 NTLAKPYFGIXNHQ-UHFFFAOYSA-N 301.323 3.095 0 40 DGAB O=S(=O)(NCc1ccsc1)c1ccc(F)c(Cl)c1 13724849 QSOGUKRFPICABY-UHFFFAOYSA-N 305.783 3.019 0 40 DGAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@H](O)C1 75156858 OUAXMHBVTPUGGE-RYUDHWBXSA-N 302.296 3.130 0 40 DGAB COc1c(Br)cc(F)c(OC(F)(F)F)c1N 98211070 NMTZEQRQUAEJPK-UHFFFAOYSA-N 304.037 3.078 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 13439367 XZFUQKXDXDNCPP-UHFFFAOYSA-N 313.353 3.355 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1 14787841 ZSTQLJOHILJDKR-INIZCTEOSA-N 313.353 3.269 0 40 DGAB Cc1nn(C)cc1-c1cncn1CCCn1ccnc1C(C)C 19719509 PWURMAOQGODSMD-UHFFFAOYSA-N 312.421 3.002 0 40 DGAB Cc1cccnc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F 643913810 IFTMTFXIFAVIQJ-OALUTQOASA-N 314.404 3.097 0 40 DGAB CC(C)(C)OC(=O)N1CC(c2ccc(Br)cn2)C1 1848351538 SJEIGANBHGYFHF-UHFFFAOYSA-N 313.195 3.178 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(Cl)c(Cl)c2)on1 24224546 XLACJPNCBWLKPG-UHFFFAOYSA-N 300.145 3.340 0 40 DGAB NC(=O)[C@H](NCCSc1ccc(Cl)cc1)c1ccccc1 26221257 FBHZNGCQMIVLNQ-OAHLLOKOSA-N 320.845 3.248 0 40 DGAB Cc1cc(OC[C@H]2CCCN(c3ncc(Cl)cn3)C2)ccn1 1776001132 AARPZBZAFHRDNY-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc12 17135831 YMRIJZHLHXOAPY-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB c1ccc2c3c([nH]c2c1)[C@H]1[C@H]2CC[C@@H]([C@H]4CCCN[C@H]42)N1CC3 101178752 SBGPASZOVGSOFJ-CTALVQFKSA-N 307.441 3.228 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cccc(Cl)c1 100038742 NHPQBTUVOXYENI-ZYIYBEKCSA-N 317.772 3.047 0 40 DGAB O=C(NC1Cc2ccccc2C1)c1snnc1-c1ccccc1 40283102 ZPSSWENPXOHDNL-UHFFFAOYSA-N 321.405 3.102 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccccc2)Cc2ccc(Cl)cc21 8020563 BJTHTCWOGDIBQL-CQSZACIVSA-N 301.729 3.060 0 40 DGAB CC(=O)N[C@H](CCC(C)(C)SCc1ccccc1)C(=O)O 1573314 MDOSBVCCUJMLFT-CQSZACIVSA-N 309.431 3.068 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 40516099 IBLNDFSOCJLKRC-STQMWFEESA-N 307.438 3.385 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1C 4850526 KXHUDSRKLCDANP-UHFFFAOYSA-N 320.392 3.391 0 40 DGAB Cc1nnc(SCC(=O)N[C@H](C)CCc2ccccc2)s1 7193122 GSQGSRCBVDEXHZ-LLVKDONJSA-N 321.471 3.076 0 40 DGAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccncc1 387900 BETPFWYPLWJEKO-UHFFFAOYSA-N 304.733 3.149 0 40 DGAB Cc1ccc(Cl)c(OCC(=O)NCCc2ccccc2)c1 2630419 CSRYLZUSBGSRLN-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB O=C(OCCCCOC(=O)[C@H]1CC=CCC1)[C@H]1C[C@H]2C=C[C@H]1C2 104810768 RIBGLNIGLMQUBT-QAETUUGQSA-N 318.413 3.422 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccccc3F)on2)cn1 32830186 OBMHPLPQSDOBRV-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1cccc(NC(=O)CCc2nc(-c3cccs3)no2)n1 428797 GBIZLYPRIMDAFT-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB CCc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc[nH]1 9114410 PIXMMCOKGGUSFU-UHFFFAOYSA-N 322.364 3.473 0 40 DGAB Nn1c(SCc2cccc(F)c2)nnc1C1CCCCC1 532872 VYGMZORAOVZMRM-UHFFFAOYSA-N 306.410 3.471 0 40 DGAB Cc1cc(C)nc(NC(=O)CSc2ccc(Cl)cc2)n1 570302 DCRBPELPLYCGFV-UHFFFAOYSA-N 307.806 3.478 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 69172254 YCGXLRGDQOKFPF-OLZOCXBDSA-N 310.388 3.344 0 40 DGAB Cc1cccc(OCCNC(=O)CNc2ccccc2Cl)c1 24039971 AZMWKJDMOJKMSE-UHFFFAOYSA-N 318.804 3.256 0 40 DGAB COC(=O)c1cc(CN(C)C(=O)Nc2ccccc2)oc1C 22423289 BBBOXQAMJCQHSM-UHFFFAOYSA-N 302.330 3.039 0 40 DGAB Cc1noc([C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 53576456 FTORZQDECJNPHW-SNVBAGLBSA-N 312.295 3.176 0 40 DGAB CC(=O)Nc1cccc(NC(=S)NCCc2ccccc2)c1 2809074 WCAZCTGLKLHTFD-UHFFFAOYSA-N 313.426 3.174 0 40 DGAB CC(C)(C)OC(=O)Nc1cc(Br)ccc1C(=O)O 37742338 KGGVXTYYRWMJCI-UHFFFAOYSA-N 316.151 3.494 0 40 DGAB in-vitro C[C@@H](C(=O)NC1CCCC1)N(C)Cc1c(F)cccc1Cl 21580750 FYCPFDPYSASGKU-NSHDSACASA-N 312.816 3.358 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCOc3c(C)cc(C)cc32)c1 58222897 QMRGIXWPTDXHOY-OAHLLOKOSA-N 312.369 3.088 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N1CCO[C@@H](c2ccccc2)C1 27907838 ABKTZIMJUYTTHY-OAHLLOKOSA-N 314.385 3.320 0 40 DGAB C[C@H](Oc1ncnc2ccccc12)C(=O)Nc1ccccc1F 3354799 GRTMLJXUKWSTFQ-NSHDSACASA-N 311.316 3.175 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)c(F)c2)c2ccc(F)cc2N1 12767805 HHXYFHOVAFYSDD-NSHDSACASA-N 320.270 3.168 0 40 DGAB c1coc([C@@H](CNc2ncnc3ccccc23)N2CCCC2)c1 48332320 RMLPUDJOKHWMBS-MRXNPFEDSA-N 308.385 3.472 0 40 DGAB Cc1nc(C(=O)OCc2ccccc2)nn1-c1ccc(F)cc1 12904419 GLYPCMPVYSGRBF-UHFFFAOYSA-N 311.316 3.072 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 6339965 WIAZFNMBYWSSTD-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB CC[C@H](Nc1ccc(OC)c(Cl)c1)C(=O)Nc1cc(C)on1 14019215 PFAXGJQMNZXWSM-LBPRGKRZSA-N 323.780 3.474 0 40 DGAB COc1cccc(NC(=O)CC2(CC(=O)O)CCCCC2)c1 6590105 NYSKTEVIVKGHFH-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccccc1)c1cccs1 8734528 IVKARGKZICWBIH-DOMZBBRYSA-N 316.426 3.193 0 40 DGAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccccc1 5904866 VWKBJPHUDWUYKT-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB CC(C)(C)[C@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 5902853 JSHRZMSSYSHIKJ-JTQLQIEISA-N 320.458 3.347 0 40 DGAB Cc1nn(-c2ccccc2)nc1C(=O)Nc1ccc2c(c1)CCC2 7802109 PHACLTMNRVLKMJ-UHFFFAOYSA-N 318.380 3.317 0 40 DGAB CCOCc1cc(C(=O)Nc2ncc(C)s2)ccc1OC 9514447 RPIGUHXADYOFFZ-UHFFFAOYSA-N 306.387 3.249 0 40 DGAB Cc1cnn(C[C@H](C)NCc2ncc(-c3ccc(F)cc3)o2)c1 71874831 XCHDGBAWOCDAEN-ZDUSSCGKSA-N 314.364 3.164 0 40 DGAB O=c1c(NCCc2ccccc2)nccn1-c1cccc(F)c1 9639167 KTSJCZHLEXJRQM-UHFFFAOYSA-N 309.344 3.026 0 40 DGAB Cn1ncc2c(N[C@H]3c4ccccc4CCC3(C)C)ncnc21 89919508 BOMUVIYWMWSYQH-HNNXBMFYSA-N 307.401 3.489 0 40 DGAB C[C@H](NC(=O)N[C@@H]1CCc2ccccc2C1)c1nccs1 72268246 LVIDCBRFNGYAJK-SMDDNHRTSA-N 301.415 3.061 0 40 DGAB CN1CCN(C(=O)Nc2ccc3[nH]ncc3c2)Cc2ccccc21 72285314 OWSVYHNLIJXTGZ-UHFFFAOYSA-N 321.384 3.047 0 40 DGAB CN1CCC[C@@H](NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C1 84284540 QDLXGICEXWUQNH-OAHLLOKOSA-N 313.445 3.289 0 40 DGAB COc1ccc(C)c(NC(=O)NC[C@@H](C)c2nccs2)c1 97113376 UAWMUNLTRCYZAK-LLVKDONJSA-N 305.403 3.385 0 40 DGAB CC[C@@H](NCc1cccc(C(=O)N(C)C)c1)c1c(C)noc1C 97111164 NCHCZQWPFCHKKU-MRXNPFEDSA-N 315.417 3.234 0 40 DGAB CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1ccc2cc[nH]c2c1 87554585 XEXCDUVZFBPIBL-KRWDZBQOSA-N 312.344 3.113 0 40 DGAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccccn1 72403809 AYJBHJLWWUSOAH-UHFFFAOYSA-N 315.423 3.126 0 40 DGAB CC[C@H](NC(=O)N[C@H](C)c1ccncc1)c1nc(C)cs1 78518454 SVVMLMUGJKATAZ-YPMHNXCESA-N 304.419 3.358 0 40 DGAB CC(=O)c1c(C)cc(C)c(CNC2(C(N)=O)CCCCC2)c1C 78659254 XFJXXOFHHCODAR-UHFFFAOYSA-N 316.445 3.092 0 40 DGAB O=C(Nc1ccnc(O[C@@H]2CCOC2)c1)c1ccccc1Cl 95449883 XPIWPNWYQRZFEP-GFCCVEGCSA-N 318.760 3.155 0 40 DGAB COc1cc(C(=O)N(C)C2CCCCCC2)cc(OC)c1O 95436649 AHSOQOLRHZQVEW-UHFFFAOYSA-N 307.390 3.204 0 40 DGAB CC(C)CC1(C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CCCC1 79069073 BQWSRLMXNPVPHO-IRXDYDNUSA-N 324.509 3.208 0 40 DGAB CCn1nccc1/C=C/C(=O)N[C@@]1(C)CCCc2ccccc21 95973411 JFVWVSLMKUHCPD-VYENPZKTSA-N 309.413 3.284 0 40 DGAB COc1ccc(F)cc1C[S@@](=O)CCc1scnc1C 86165336 ZCHWSJNGJKOGHT-HXUWFJFHSA-N 313.419 3.091 0 40 DGAB CCOCc1ccccc1CNC(=O)NCc1ccc(F)cc1 28347077 JZOIDKAXJHFNGW-UHFFFAOYSA-N 316.376 3.362 0 40 DGAB CCn1cc(C(=O)Nc2ccccc2OC)c(=O)c2ccccc21 408713067 JAYMDIKBBVENAE-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)N1 408822626 PNYYMVYWSQMOEW-IZZDOVSWSA-N 323.135 3.434 0 40 DGAB Cc1ccc2[nH]c3c(SCC(=O)NC(C)C)ncnc3c2c1 33172518 VYDKOMAISYILJO-UHFFFAOYSA-N 314.414 3.036 0 40 DGAB Cc1nc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)sc1C 39995493 HDRRUGUXOAPSLB-UHFFFAOYSA-N 320.462 3.410 0 40 DGAB Cc1nccn1-c1nccnc1[C@H]1CCCN(C2CCCC2)C1 72350474 RISBGLGIOYKMHN-HNNXBMFYSA-N 311.433 3.093 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1C 30848158 PQXKPFOTIGGLPW-AWEZNQCLSA-N 324.380 3.056 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ncccc2C)cc1 72211142 LWZCBVJNSIRMJI-INIZCTEOSA-N 316.426 3.224 0 40 DGAB O=C(CCCc1ccccc1)Nc1cc(-c2ccncc2)n[nH]1 72256159 SKAIQMKLGJECSX-UHFFFAOYSA-N 306.369 3.433 0 40 DGAB Cc1ccccc1C(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 70639874 GNYUTZMKHPUSTC-HNNXBMFYSA-N 323.314 3.477 0 40 DGAB COc1cccc(CNC(=O)c2cnc(Cl)c(Cl)c2)c1 7698997 SRQHYBHOQUEGKH-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(OC)cc2N)c1 70462860 YBIQMFJTTRGAHF-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB CC(C)CNC(=S)Nc1ccc(Oc2ccccc2)nn1 225186902 XDLHTHQXCNGINB-UHFFFAOYSA-N 302.403 3.211 0 40 DGAB CC(C)Nc1nc(Cc2ccc(Cl)cc2)ncc1C(=O)O 49469516 NFZVISDNIVSQFA-UHFFFAOYSA-N 305.765 3.239 0 40 DGAB C[C@@H](C(=O)NC[C@H]1[C@@H]2CCc3ccccc3[C@@H]12)C1CCOCC1 195546014 PZOKKCOIZUAGEK-WEZQJLTASA-N 313.441 3.141 0 40 DGAB CCc1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 130457806 XXJARZYYAQYJJC-UHFFFAOYSA-N 310.397 3.132 0 40 DGAB COc1ccc2c(c1)OCCC[C@H]2NCc1ccc(OC)nc1 225580987 TXUHDKQSWAOXMD-MRXNPFEDSA-N 314.385 3.102 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(COc3ccc(Cl)cc3)=NN[C@H]2C1 228925396 JMLZUTQGMWDMLP-WFASDCNBSA-N 306.793 3.052 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)N1CCCN(C)CC1 97235541 FVUFHMQSGQPCKQ-UHFFFAOYSA-N 313.854 3.231 0 40 DGAB CCc1ccc([C@@H]2CCCN2C(=O)CNC(=O)CCC(C)C)o1 96410207 ZBTRWZSEJBHZFW-HNNXBMFYSA-N 320.433 3.058 0 40 DGAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccncc1)c1cccs1 96485791 YCULEZYIIXCERM-STQMWFEESA-N 303.431 3.013 0 40 DGAB CCc1nc(C)c(NC(=O)c2nn[nH]c2-c2ccccc2)s1 252503479 VDHJRRBNTACTFI-UHFFFAOYSA-N 313.386 3.051 0 40 DGAB Cc1cn2c(C3CCN(C(=O)c4cccnc4)CC3)cccc2n1 257206206 BCIUGYPJVWAVIR-UHFFFAOYSA-N 320.396 3.058 0 40 DGAB CCN(CC)Cc1csc(NC(=O)c2cc(C)sn2)n1 585079518 XHPQTYXFVWIMMY-UHFFFAOYSA-N 310.448 3.002 0 40 DGAB Cc1nnc([C@H](C)N2CCC3(CC2)OCCc2ccsc23)o1 542773970 KEDUVIUJACNPDB-NSHDSACASA-N 319.430 3.065 0 40 DGAB CCC(=O)N1CSC[C@H]1c1nc(-c2ccc(C)cc2)no1 585133368 GQHFIFFHZHCMHS-LBPRGKRZSA-N 303.387 3.029 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H](Cc3cccnc3)C2)s1 257334963 YIADEZLPJQBRPJ-MRXNPFEDSA-N 314.454 3.475 0 40 DGAB CC1(C)C[C@@H](NC(=O)CCc2nccs2)c2ccccc2O1 268630566 KGAUHMCYDYQOTQ-CYBMUJFWSA-N 316.426 3.494 0 40 DGAB O=C(NC1(c2cccc(OC(F)(F)F)c2)CC1)c1ccccn1 654203509 YJLAYWYFIPPMIP-UHFFFAOYSA-N 322.286 3.399 0 40 DGAB C[C@H](NC(=O)N[C@@H](C)c1nc2ccccc2[nH]1)c1ccccn1 45560610 OXYOQACXWVATSR-RYUDHWBXSA-N 309.373 3.079 0 40 DGAB CCc1noc([C@@H](C)N2CCC([C@H](O)c3ccccc3)CC2)n1 51531544 KJMVVFDDXLCOKX-CXAGYDPISA-N 315.417 3.139 0 40 DGAB COC(=O)[C@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OC 95941288 KNWOZMKRXGWWER-KBPBESRZSA-N 311.809 3.170 0 40 DGAB C[C@@H]1CCC[C@@H](c2ccccc2)N1CCCN1CCOC1=O 75109391 HQAFTCYKIJCWSG-WBVHZDCISA-N 302.418 3.444 0 40 DGAB Cc1cc(C)n(CC2CCN(Cc3csc(C)n3)CC2)n1 86071003 MUNVIOPJJSEFNX-UHFFFAOYSA-N 304.463 3.177 0 40 DGAB COc1c(C)cc(CN(C)Cc2c(C)nn(C)c2C)cc1C 95938960 SEOJLCWTTDNHKZ-UHFFFAOYSA-N 301.434 3.294 0 40 DGAB C/C(=C/c1ccccc1)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 234604 FTNSPZRWTDMPET-VWXXHXAUSA-N 320.436 3.371 0 40 DGAB CC(=O)c1cccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1 3390843 XBBPRKNLMHTEQA-ZHACJKMWSA-N 323.348 3.084 0 40 DGAB O=C(Cn1cnc2ccccc21)NC12CC3CC(CC(C3)C1)C2 5190797 DZWOWHYDZZTBPV-UHFFFAOYSA-N 309.413 3.121 0 40 DGAB NC(=O)Nc1cccc(C(=O)OCc2ccc(F)cc2Cl)c1 14599821 RJHJRXUUDVCDAK-UHFFFAOYSA-N 322.723 3.327 0 40 DGAB Cc1ccc(CNC(=O)C2(c3ccccc3)CCOCC2)cc1 16985176 OGQMNZDLRBEIQU-UHFFFAOYSA-N 309.409 3.360 0 40 DGAB Cc1ccccc1C=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-] 17163530 QUIFNJPMGQCNMH-UHFFFAOYSA-N 300.274 3.257 0 40 DGAB Cc1nc(NC(=O)Nc2cccc(Cl)c2)sc1C(=O)O 26422337 OQFBNMQTIQOHON-UHFFFAOYSA-N 311.750 3.447 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccncc2)c(OC)c1 15829178 IRIGGMSJGJFCNT-MRXNPFEDSA-N 312.369 3.076 0 40 DGAB COc1cccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 12435658 UVMMSOGEOLQFEY-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB CO[C@@](C)(CN=c1[nH]c2cnccc2s1)c1ccccc1F 1889201613 NKHSKWUSTZQTSL-INIZCTEOSA-N 317.389 3.226 0 40 DGAB O=C(NCCc1ccccc1F)c1ccc(Cn2ccnc2)cc1 36391151 YNCLUZMOUIJYSZ-UHFFFAOYSA-N 323.371 3.043 0 40 DGAB COc1ccc(C)cc1Nc1nc(C(=O)NC2CC2)cs1 35596812 FOWNHBXWDZGEBG-UHFFFAOYSA-N 303.387 3.096 0 40 DGAB C[C@@](O)(CCc1ccccc1)CNC(=O)Nc1ccccc1F 62021524 ZNSPHCWCFQTBTK-GOSISDBHSA-N 316.376 3.331 0 40 DGAB OCc1cc2ccccc2nc1N1CCO[C@@H](c2ccccc2)C1 77910495 DOVYKQFHPIPWPH-LJQANCHMSA-N 320.392 3.305 0 40 DGAB O=Cc1nc(Br)c(-c2cc(F)ccc2Cl)[nH]1 1857794801 KLAQVSYRHXUTIR-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB COc1cccc(N[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11128598 URRYCDLYAFQQBN-QGZVFWFLSA-N 314.360 3.266 0 40 DGAB CC(C)NC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 4433439 QJQQKVHYKLVNAB-UHFFFAOYSA-N 307.781 3.237 0 40 DGAB O=C(Nc1ccccc1C(=O)O)c1ccccc1Br 262694 QTRXBDNEMALOMI-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB COC(=O)c1cn([C@H](C)C(=O)NC2CCCC2)c2ccccc12 6957476 XQWBKCGCGALZSN-GFCCVEGCSA-N 314.385 3.048 0 40 DGAB Cc1nc(C)c(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)s1 29117126 LLSCWSSSFRABAI-CQSZACIVSA-N 320.389 3.113 0 40 DGAB CCCn1c(SCc2ccc(F)cc2Cl)n[nH]c1=O 36801889 XVYIUYQAHZHWPU-UHFFFAOYSA-N 301.774 3.066 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@H]([C@H]24)[C@@H]1[C@@H]35 100884643 OLRUHJPVOOXZIZ-XZXATPOWSA-N 304.025 3.250 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1cc(F)cc(F)c1 2623174 ZASKKMKDSFVFNO-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB COC(=O)C1(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)CCCCC1 32900525 GBBWBXJJTRJKLW-UONOGXRCSA-N 307.434 3.217 0 40 DGAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccncc3)C2=C(O)C1 102749346 SUIPXEQXMNSTLD-ZDUSSCGKSA-N 311.345 3.336 0 40 DGAB Cc1cc2oc(=O)cc(CN3CCOCC3)c2cc1C(C)C 21822480 HRDNTRCDDBJJSC-UHFFFAOYSA-N 301.386 3.057 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCOc2ccccc21 33168106 PSSJSGBDUDFUBX-UHFFFAOYSA-N 308.259 3.140 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 528097 FJFKHXSUEFNERA-HZPDHXFCSA-N 323.375 3.454 0 40 DGAB COc1ccc(CCNC(=O)CCC2CCCC2)cc1OC 505435 RHPQJGRVCSFLPL-UHFFFAOYSA-N 305.418 3.333 0 40 DGAB COc1ccc(-c2noc(CCc3nc4ccccc4[nH]3)n2)cc1 12323974 BNSVUXIICYIXGU-UHFFFAOYSA-N 320.352 3.407 0 40 DGAB CC(C)(C)SCC(=O)N1CCC[C@H]1C[C@H](O)c1ccco1 89694447 SMISFYZMZICPTR-STQMWFEESA-N 311.447 3.226 0 40 DGAB COc1cc(C)c(C)cc1S(=O)(=O)N1CCc2ccccc21 16780314 ZTMCQVUELGKGES-UHFFFAOYSA-N 317.410 3.063 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1C[C@@H]2CN3CCCC[C@@H]3[C@@H]2C1 89689233 WUHWCCREJQRWKG-AEEMCCEDSA-N 324.468 3.041 0 40 DGAB C[C@H](NC(=O)c1cccc2cc[nH]c12)[C@@H]1COc2ccccc21 89894444 SYXYUFMOEGSQDV-LRDDRELGSA-N 306.365 3.462 0 40 DGAB CC(C)[C@@H](CNC(=O)c1cccnc1S)Nc1ccccc1 42793293 FJBSTHPKKYLGQY-OAHLLOKOSA-N 315.442 3.237 0 40 DGAB COc1cc2c(cc1OC)[C@H]1CCC3=C(O)CCC3=[N+]1CC2 104158473 QIODQKOROTTYBO-OAHLLOKOSA-O 300.378 3.154 0 40 DGAB COc1ccc(CNC(=O)c2cc3cc(C)ccc3nc2C)cn1 12511082 NCBDVWGMKOIMKU-UHFFFAOYSA-N 321.380 3.185 0 40 DGAB C[C@@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(Cl)c1 3220951 GUUBFBXDAGHNLJ-SNVBAGLBSA-N 308.790 3.093 0 40 DGAB CN(C(=O)CN1CCC[C@H]1Cc1ccccc1)c1ccccc1 58029106 RUXOXXNXNWFYGW-IBGZPJMESA-N 308.425 3.357 0 40 DGAB CCO[C@@H](C)C(=O)NCc1cccc(CN2CCCCCC2)c1 58278465 JXTIZJLFCIMKPE-INIZCTEOSA-N 318.461 3.104 0 40 DGAB COc1cccc(-c2nn(-c3ccc(F)cc3)cc2C(=O)O)c1 3394893 PWDYHCRMKJBQHC-UHFFFAOYSA-N 312.300 3.385 0 40 DGAB Cc1nc(CNC(=O)N[C@H]2CCCOc3ccccc32)cs1 58415270 RIFSQCAOHYCPJK-AWEZNQCLSA-N 317.414 3.165 0 40 DGAB CN(CCOc1ccc(F)cc1)C(=O)c1cc2ccccc2[nH]1 12933245 KBEPFIUGGPLPER-UHFFFAOYSA-N 312.344 3.458 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1 3525019 XVCXNBHKUFZHMX-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB C[C@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 8304032 CFOZAPIPCOTLMR-MRXNPFEDSA-N 319.408 3.465 0 40 DGAB Cc1ccccc1OCc1nn2c(C(C)(C)C)nnc2s1 13494623 SBCJKJXHUSACNK-UHFFFAOYSA-N 302.403 3.371 0 40 DGAB O=C(COc1ccc2ccccc2c1)NCCc1cccc(O)c1 63866510 ULGZIYXJJIHMNJ-UHFFFAOYSA-N 321.376 3.283 0 40 DGAB CSc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1 14153647 MLBPNGUHEYKUEU-UHFFFAOYSA-N 319.451 3.156 0 40 DGAB biogenic,in-vitro O=C(c1cnc2onc(-c3ccco3)c2c1)c1ccccc1O 14157780 KFPFOCJZZSUAKA-UHFFFAOYSA-N 306.277 3.419 0 40 DGAB O=C(NCC1CCCCCCC1)N1CCC[C@H](c2ncn[nH]2)C1 89761972 KLSKKAZOGBNDIL-HNNXBMFYSA-N 319.453 3.054 0 40 DGAB COc1ccc2c(OC)c(CC=C(C)C)c(=O)[nH]c2c1OC 14679257 OAEZQCLAAGSHHA-UHFFFAOYSA-N 303.358 3.063 0 40 DGAB biogenic,in-vitro Cc1cccc(C)c1NC(=O)[C@@H](C)ONC(=O)c1cccs1 69813917 WFKGQRZKZNUKRM-GFCCVEGCSA-N 318.398 3.054 0 40 DGAB CCc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 6809799 KFAGOOCFQOBPBE-UHFFFAOYSA-N 301.371 3.336 0 40 DGAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)cc1Cl)C2=O 5885136 AJPNIBLYZWVHKF-MGPLVRAMSA-N 324.783 3.480 0 40 DGAB COCCc1noc(CSc2cccc3cccnc23)n1 69970448 MLCHZDZNDNLNHQ-UHFFFAOYSA-N 301.371 3.099 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2N[C@@H]1CCSc2ccccc21 90223342 SMMBBKWJKCKNOV-ZIAGYGMSSA-N 300.431 3.248 0 40 DGAB COc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)c(OC)c1 8714223 AWFCVEGVFPYOSK-LLVKDONJSA-N 301.342 3.009 0 40 DGAB COc1ccc2c(OCc3nccn3C(F)F)ccnc2c1 81080245 GPTZNWPCOBRRGF-UHFFFAOYSA-N 305.284 3.414 0 40 DGAB CCCCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1 9273281 SXKPAVXAMVCDAZ-UHFFFAOYSA-N 314.368 3.458 0 40 DGAB O=C1NC2=C(CCc3ccccc32)[C@@H](c2ccc3c(c2)OCO3)N1 9318054 VFCQSJFCIPPFFQ-QGZVFWFLSA-N 320.348 3.127 0 40 DGAB COCCOc1ccccc1NC(=O)N1C[C@@H]2CC=CC[C@H]2C1 83911939 IMMYCSJZAGKOCA-GJZGRUSLSA-N 316.401 3.142 0 40 DGAB COc1cc(C)ccc1O[C@H](C)C(=O)NCCc1ccccc1 9722700 PMBWJWKYOWOYQX-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB COC[C@H](NC(=O)N[C@H](C)c1csc(C)n1)c1ccc(C)o1 84195189 ZQPIKLQTVUILCZ-PWSUYJOCSA-N 323.418 3.101 0 40 DGAB COc1ccccc1NC(=O)N[C@]1(CO)C[C@H](C)CC(C)(C)C1 72305925 FXBMQTAFYVKRFJ-FZKQIMNGSA-N 320.433 3.394 0 40 DGAB Cc1ccc(NC(=O)N(C)[C@@H]2CCN(C3CC3)C2)cc1Cl 78806273 CMJKVLSFQJXDRP-CQSZACIVSA-N 307.825 3.349 0 40 DGAB Oc1cccc2c1CC[C@@H]2NC1CCN(Cc2ccccn2)CC1 95421932 VWIWOHLYHYZFMD-IBGZPJMESA-N 323.440 3.029 0 40 DGAB COc1cc(CNc2ccc(OC)nc2)c2c(c1)C[C@H](C)O2 84718071 HNHPJGPFJMTTOX-NSHDSACASA-N 300.358 3.034 0 40 DGAB Cc1cc(N2CCC[C@H](C)C2)nc(CN2CCC[C@@H](C)C2)n1 79109555 MKLRPKGXRWFXFL-CABCVRRESA-N 302.466 3.253 0 40 DGAB Cc1oc(C)c(C(=O)NCC(C)(C)NC(=O)OC(C)(C)C)c1C 74000730 QUJSAOUEUDQVTR-UHFFFAOYSA-N 324.421 3.238 0 40 DGAB CCNCc1ccccc1NC(=O)C[C@H]1OCCc2ccccc21 95971531 LBERZQRMYIPLKP-LJQANCHMSA-N 324.424 3.439 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 408706849 GBCIXSDYYSZORI-RHSMWYFYSA-N 316.445 3.121 0 40 DGAB O=C(c1cccnc1)N1CCC(c2nc3ccccc3o2)CC1 60387959 JQLCQIJSSLWAJV-UHFFFAOYSA-N 307.353 3.243 0 40 DGAB COc1ccc(Cc2noc3nc(C4CC4)cc(C(=O)O)c23)cc1 62710701 GMCFEYINUSXPJH-UHFFFAOYSA-N 324.336 3.398 0 40 DGAB OC[C@H](C1CC1)[C@H](Nc1ncnc2[nH]c3ccccc3c12)C1CC1 556242050 JQSRMRWZAZKDLX-RHSMWYFYSA-N 322.412 3.320 0 40 DGAB COCCN1CCC[C@H](c2nccnc2-c2ccccc2F)C1 72358495 AQVJPMDTEBXMHK-AWEZNQCLSA-N 315.392 3.109 0 40 DGAB Cc1nc(C)c(-c2nnc(NC(=O)c3ccccc3)o2)s1 41097809 FVWIZKDAPMSXJR-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB C[C@H](C(=O)N(C)C1c2ccccc2-c2ccccc21)n1cncn1 81396897 CSFYHGLXPXWHFI-CYBMUJFWSA-N 318.380 3.068 0 40 DGAB CC(=O)NC1CCC(N[C@@H]2CC[C@H](c3ccccc3)C2)CC1 225420576 RTJXJVPOBFPLOS-MKCYZYCBSA-N 300.446 3.360 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)c1 81639327 MGYPUTYOFXCNOM-LSDHHAIUSA-N 315.413 3.376 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NCC(C)C 224629138 JCQACRDGBXJMJM-KRWDZBQOSA-N 318.461 3.284 0 40 DGAB Cc1oc(-c2cccc(CO[C@H]3CCOC3)c2)cc1C(=O)O 574531680 FKFCEKKBBLSGBH-AWEZNQCLSA-N 302.326 3.259 0 40 DGAB CCOc1ccc(-c2nc(-c3cccc(O)c3)n[nH]2)cc1OC 85384536 CAKBFUPTYCGQBI-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB Fc1cccc(CN2CCC(c3nnc(C4CC4)o3)CC2)c1 49377477 GIVWTYMUKOSLAF-UHFFFAOYSA-N 301.365 3.466 0 40 DGAB C[C@H](NCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 96491072 AQNUQMBVBIQMOX-VIFPVBQESA-N 301.312 3.183 0 40 DGAB O=C(O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 93680535 HQNHDDPUOZHXFH-UHFFFAOYSA-N 301.308 3.392 0 40 DGAB Cc1ccc(-c2nc(C(=O)Nc3nc(C4CC4)no3)cs2)o1 96407929 NSSKXXWCYIGPBI-UHFFFAOYSA-N 316.342 3.224 0 40 DGAB C[C@@H]1C[C@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)CCN1Cc1ccccc1 245344139 XTTHEKRQQNIZNO-DBDQLMEASA-N 312.457 3.202 0 40 DGAB CCC(=O)Nc1ccc(C)c(NCc2nc(C(C)C)no2)c1 55847882 KPSFMPUMGJRMEC-UHFFFAOYSA-N 302.378 3.462 0 40 DGAB Brc1ccc(-n2cnc(Br)c2)cc1 952959139 RGLYQPAQYOXKEO-UHFFFAOYSA-N 301.969 3.397 0 40 DGAB CC1(C)CC(=O)N=C(Nc2cccc(Br)c2)C(=O)C1 5482184 CQAXBOIYAQTBTJ-UHFFFAOYSA-N 323.190 3.175 0 40 DGAB COC(=O)c1cc(-c2ccc(Cl)cc2Cl)nc2ccnn12 13645448 AGFNRUSYOINMBC-UHFFFAOYSA-N 322.151 3.490 0 40 DGAB Fc1ccc(NC(=S)NCCCn2ccnc2)cc1Cl 16215319 GNVVDFUNIVYYFI-UHFFFAOYSA-N 312.801 3.052 0 40 DGAB COc1ccc(SCC(=O)NCc2ccccc2C)cc1 19366712 ZHAFPBFQKNJADI-UHFFFAOYSA-N 301.411 3.412 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1ccc2c(c1)CCCC2 169680997 YXLHJRQJKUYGQR-KSCVBYKOSA-N 319.404 3.123 0 40 DGAB C=C/C=C(\C=C/C)C1(C(=O)Nc2nnc(C)s2)CCOCC1 4503783 LMXVVNNAOTVXFW-IILXRZLBSA-N 319.430 3.270 0 40 DGAB CO[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 206860073 XFHFKLBUBXZQIC-IEKYFPHUSA-N 303.402 3.300 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1 2737741 CRZMVVBSYZLCHT-CVEARBPZSA-N 316.401 3.138 0 40 DGAB O=C(CCNC(=O)C1CCCC1)Nc1ccc(F)c(Cl)c1 31482704 GFFAXDZWWBIPIC-UHFFFAOYSA-N 312.772 3.114 0 40 DGAB CC[C@@H](NC(=O)c1n[nH]cc1Br)c1ccc(C)cc1 28229236 RZDIMXCHHBETQI-GFCCVEGCSA-N 322.206 3.362 0 40 DGAB Cc1nc(CCNC(=O)c2cccc(C(F)(F)F)c2)cs1 4166937 QWUJJPQZGYOQHI-UHFFFAOYSA-N 314.332 3.443 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)NCc3cccs3)C2)cc1 38566777 MPJJDQYBBQWRRA-AWEZNQCLSA-N 316.426 3.456 0 40 DGAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@H]1c1ccccc1 63629 PCVZWDOCJIWHOR-AWEZNQCLSA-N 304.415 3.229 0 40 DGAB CN(C(=O)C1CC1)c1ccccc1C(=O)NCC1CCCCC1 40143153 SVYDGKMIEXYSTD-UHFFFAOYSA-N 314.429 3.370 0 40 DGAB Cc1cc(C)nc(SCC(=O)Nc2ccc(F)cc2F)n1 31563 SDJXVKLHPPOSFP-UHFFFAOYSA-N 309.341 3.102 0 40 DGAB C[C@H]1C[C@H](N(C)C(=O)C(C)(C)F)CCN1Cc1ccccc1 92354881 ULTWBMROEDROAQ-GOEBONIOSA-N 306.425 3.246 0 40 DGAB CC[C@@H](C)Oc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 513592 XVHLDRIMXBTGBZ-GFCCVEGCSA-N 312.369 3.215 0 40 DGAB O=c1oc2ccccc2cc1Cc1cc2ccccc2oc1=O 1563696 KTQDOEYBWTZRKE-UHFFFAOYSA-N 304.301 3.490 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 4303821 WDPOJQZOBFXIPU-SECBINFHSA-N 313.366 3.020 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccc(O)cc1 4910154 HDBUWEPQHBNXNS-KRWDZBQOSA-N 323.352 3.331 0 40 DGAB CC1(C)[C@H](C(=O)O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 6263471 AYNJJXTYXMESPL-GUYCJALGSA-N 323.820 3.483 0 40 DGAB CCOc1cc(C)c(/C=C2/NC(=O)N(CC)C2=O)cc1C(C)C 6951278 YNMDMPFPVWDQCK-XNTDXEJSSA-N 316.401 3.430 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1c(C)noc1C)c1ccsc1 31988530 ANVLPPMLYLSJQU-CQSZACIVSA-N 321.446 3.166 0 40 DGAB O=C(/C=C/c1cccs1)Nc1cccc(N2CCOC2=O)c1 31928038 AOXQQOGGSKLIBX-VOTSOKGWSA-N 314.366 3.357 0 40 DGAB CC[C@@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1 8326351 WACZRYDVZAAEEL-AWEZNQCLSA-N 321.442 3.196 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H]1c1cccnc1 29287293 SLPYWLBSAOLUHX-SFHVURJKSA-N 318.380 3.449 0 40 DGAB CCO[C@@H]1[C@H]2CC[C@H]1N(Cc1ccc3ccccc3n1)CCO2 107720540 IGOQEKZXLQBWHI-QRVBRYPASA-N 312.413 3.003 0 40 DGAB CCN(CCO)Cc1csc2ccc(Br)cc12 338779 QLDCYLXQWZJOHQ-UHFFFAOYSA-N 314.248 3.478 0 40 DGAB Cc1ccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc1C 11915417 YNEIZRSOINEBKU-NSHDSACASA-N 314.385 3.434 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 69436018 ICBWXXPHHUHMJB-SJORKVTESA-N 315.800 3.252 0 40 DGAB COc1ccc(-c2nsc(NC(=O)c3ccccc3)n2)cc1 12062759 IPUMXFYINUWWAO-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COC(=O)c1c(NC(=O)c2ccco2)sc2c1CCCC2 587991 OKHNVPKPANFKQN-UHFFFAOYSA-N 305.355 3.259 0 40 DGAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1C 54363197 GSPKSUCLSNOWSZ-UHFFFAOYSA-N 313.463 3.497 0 40 DGAB Cc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)n1C 23574499 SUTLMQOQRPQQCR-UHFFFAOYSA-N 309.413 3.454 0 40 DGAB C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 105646926 WBOVERIFEQOJAH-JKQORVJESA-N 309.413 3.427 0 40 DGAB COc1ccc([C@@H](CNc2ncnc3ccccc23)N(C)C)cc1 24340233 CGIUKUZBNGZGHD-GOSISDBHSA-N 322.412 3.353 0 40 DGAB CS[C@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 43008431 KDMHQVNEVVAHHH-OCCSQVGLSA-N 321.442 3.263 0 40 DGAB COc1ccc(CNCCc2ccccn2)cc1Br 34991256 RBAKUMKDBCZPGC-UHFFFAOYSA-N 321.218 3.185 0 40 DGAB Cc1ccc(-c2noc([C@H](C)N3CCSCC3)n2)cc1F 47994221 RYJKPRFLTVWOKR-NSHDSACASA-N 307.394 3.294 0 40 DGAB Cc1noc(COC(=O)CCc2ccc(-c3ccccc3)o2)n1 23382693 VNPCHICIGMEYCS-UHFFFAOYSA-N 312.325 3.314 0 40 DGAB Cc1ccc(C(=O)c2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1 3353252 DOBDXCPRUOUOCG-UHFFFAOYSA-N 324.405 3.403 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1cc(F)cc(N2CCCC2)c1 58282410 MCKKTMYOERTKJN-INIZCTEOSA-N 306.381 3.324 0 40 DGAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@@H]1CCCO1 27904025 NNUZMNWWDQQGQS-YGRLFVJLSA-N 318.348 3.086 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)c1cnn(-c2ccccc2)n1 12793055 AYCJWNLJUXJWAZ-UHFFFAOYSA-N 318.380 3.169 0 40 DGAB CNc1ccc(NC(=O)N[C@H](C)c2cc(F)ccc2OC)cn1 48308597 KOFQBYBCJHBFFN-SNVBAGLBSA-N 318.352 3.154 0 40 DGAB O=C(CSc1nncc2ccccc12)NCc1cccs1 12944514 OGMPZFRDGRQDKJ-UHFFFAOYSA-N 315.423 3.100 0 40 DGAB CCCCc1noc(CSc2nc(=O)c3sccc3[nH]2)n1 13012887 RIOIMEJWOUXDOR-UHFFFAOYSA-N 322.415 3.003 0 40 DGAB O=C(OCc1cccc(Br)c1)c1ccc(CO)cc1 6082291 MZQRDWJHOJTIRV-UHFFFAOYSA-N 321.170 3.298 0 40 DGAB O=C(NCc1cccnc1)NC1(c2ccc(F)cc2)CCCC1 69349233 VEERNUBIZWONDO-UHFFFAOYSA-N 313.376 3.489 0 40 DGAB COc1cc(SC)ccc1C(=O)Nc1ccc(N(C)C)nc1 14093417 UAZYGSACCSLVSF-UHFFFAOYSA-N 317.414 3.130 0 40 DGAB NC(=O)CCSc1nnc(-c2ccco2)n1C1CCCCC1 14047855 ANGHSAYROYARHO-UHFFFAOYSA-N 320.418 3.011 0 40 DGAB O=C([C@@H]1CCOC1)N1CCC(c2nc3ccccc3s2)CC1 65516284 KMXQHUOAELUWJK-CYBMUJFWSA-N 316.426 3.039 0 40 DGAB COc1ccc([C@H](NC(=O)c2c(C)noc2C)C(C)C)cc1 14166222 ZWLRIJQZSSJTGZ-MRXNPFEDSA-N 302.374 3.427 0 40 DGAB Cc1ccc(C)c(CC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c1 69595094 YREZESAXUNJCEZ-UHFFFAOYSA-N 316.788 3.237 0 40 DGAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(F)cc1 5558733 HNYCQRIZGYNZBU-UHFFFAOYSA-N 314.316 3.153 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1 6651608 BQISMIADBJSPSQ-LLVKDONJSA-N 315.348 3.223 0 40 DGAB Cc1ccc(-n2cnnc2SCc2cc(C)no2)c(C)c1 14678310 JGUANNQUYGDFKV-UHFFFAOYSA-N 300.387 3.473 0 40 DGAB CC(C)CC(=O)NC(NC(=O)CC(C)C)c1ccccc1F 4744592 HBSWLZNOJZRPJO-UHFFFAOYSA-N 308.397 3.149 0 40 DGAB CC(C)n1ncc2cc(NC(=O)Cc3cccs3)cnc21 17525813 SNLZRSDKGXIAIV-UHFFFAOYSA-N 300.387 3.255 0 40 DGAB CC(=O)N(c1nc(/C=C\C(=O)O)cs1)c1ccccc1F 4801749 FHDDGPTUSASJCA-SREVYHEPSA-N 306.318 3.065 0 40 DGAB Cc1cnc(C(=O)N(C)Cc2cccc(Cl)c2Cl)cn1 6947644 PQQPASROBYEFON-UHFFFAOYSA-N 310.184 3.364 0 40 DGAB CCc1nnc(NC(=O)Cc2coc3cc(OC)ccc23)s1 7347069 INMXXDRMAZHXDD-UHFFFAOYSA-N 317.370 3.037 0 40 DGAB C[C@H](Nc1nnc(-c2ccccc2Cl)s1)c1nncn1C 96011523 YJIHJDHTFIXPKO-QMMMGPOBSA-N 320.809 3.160 0 40 DGAB C[C@@H]1CN(C(=O)CCCc2nc3ccccc3o2)CC(C)(C)O1 71831188 LMJJBBJPWKHQKD-CYBMUJFWSA-N 316.401 3.176 0 40 DGAB CCc1c(C)sc2nc(-c3ccc4c(c3)OCO4)[nH]c(=O)c12 71817168 KUNINWNXSGPXFL-UHFFFAOYSA-N 314.366 3.251 0 40 DGAB CCOCCOc1cccc(C(=O)Nc2ccc(N)cc2C)c1 19736773 ONRUGRIYCMSILO-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)Nc1cc(F)ccc1F 9338545 WANIJFLQRVICPS-SNVBAGLBSA-N 306.312 3.413 0 40 DGAB CC[C@@H](Sc1nnc(Nc2ccc(C)c(C)c2)s1)C(N)=O 72086465 FLGWRXNAPCGGFM-LLVKDONJSA-N 322.459 3.255 0 40 DGAB CS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 72287109 VKGCZCNWWJLYNF-CABCVRRESA-N 306.431 3.049 0 40 DGAB Cc1cccc(CN2CCC(NCc3c(C)n[nH]c3C)CC2)c1 97159405 RNTDBUAHHXUVIF-UHFFFAOYSA-N 312.461 3.089 0 40 DGAB C[C@H](NC[C@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 89904606 ZPWCXLWSOJOUBP-KSSFIOAISA-N 301.409 3.044 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72300337 IMKNIQZMWJVIKO-GFCCVEGCSA-N 318.446 3.318 0 40 DGAB CCO[C@H]1C[C@@H](NC(=O)Nc2cc(C)on2)C12CCCCC2 72306079 QIVRGEPGXGOUQA-OLZOCXBDSA-N 307.394 3.232 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCCC[C@@H]1C 75612612 LLJNGNDRNWUPTP-AWEZNQCLSA-N 317.433 3.493 0 40 DGAB C[C@@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 95422556 SWWTVZSJSRQELA-OCCSQVGLSA-N 300.427 3.484 0 40 DGAB C[C@H](CCc1ccccc1)CN1CCN(Cc2ccncc2)CC1 95468609 FGCPYRFCQDSNJZ-LJQANCHMSA-N 323.484 3.468 0 40 DGAB CCS[C@@H]1CC[C@]1(O)CNCc1cc(F)cc2cccnc12 95415531 MURDABJJTHXTMO-WBVHZDCISA-N 320.433 3.110 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(NC2CC2)nc1 84718224 YIDFLLWIQYZNDN-NSHDSACASA-N 313.426 3.477 0 40 DGAB CC1CCC(N(C[C@H]2CCCO2)C(=O)CC2(O)CCCC2)CC1 74057825 ANBYJVINUCREAH-OFLPRAFFSA-N 323.477 3.268 0 40 DGAB CCSCCN1CCC(C(=O)Nc2cccc(OC)c2)CC1 95961323 FHJOPIXPCCUSIZ-UHFFFAOYSA-N 322.474 3.099 0 40 DGAB CC(C)N(C[C@@H]1C[C@@H]1C)S(=O)(=O)c1cc(F)cc(F)c1 95961892 LFKJHTDHWIJITB-QWRGUYRKSA-N 303.374 3.020 0 40 DGAB CCCCCOc1ccc(NC(=O)C(=O)N[C@H](C)CC)cc1 409258265 SKHAHTIXKLEAGV-CYBMUJFWSA-N 306.406 3.109 0 40 DGAB O[C@H]1C[C@H](c2ccccc2C(F)(F)F)N(Cc2ccno2)C1 547771493 VLWQYSMLEKXRLV-IINYFYTJSA-N 312.291 3.001 0 40 DGAB CC(C)[C@@H](N[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F 182136740 ARZOXSNVATYEHM-IINYFYTJSA-N 321.845 3.199 0 40 DGAB COCc1ccccc1NC(=O)N[C@@H]1C[C@](C)(OC)C1(C)C 74941789 OWCOBCLONULGJP-PBHICJAKSA-N 306.406 3.158 0 40 DGAB Cc1ccc(C(=O)Nc2nc(CN3CCCC3)cs2)cc1F 48312136 YVTCIVAOBNFIBM-UHFFFAOYSA-N 319.405 3.439 0 40 DGAB O=C(c1ccsc1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225675757 VHWMPLPXCYARRM-GFCCVEGCSA-N 301.367 3.107 0 40 DGAB O=C(c1ccccc1)[C@@H]1N[C@@H]1c1ccc(Br)cc1 49762760 KBGOQVUCMFYENS-ZIAGYGMSSA-N 302.171 3.345 0 40 DGAB COc1ccc(Nc2ccc(N)cc2C(=O)N2CCCC2)cc1 225478947 GHQXSMYCGQQHEM-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB Cc1cc(CS[C@@H](C)c2ccc(S(C)(=O)=O)cc2)no1 190782952 IOZBYOAYKQSXLB-NSHDSACASA-N 311.428 3.381 0 40 DGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NCC 224350842 IXTYAVDRKHRITI-OAHLLOKOSA-N 324.852 3.383 0 40 DGAB Cc1cc(C(=O)N2CCC(c3nc(C(C)C)no3)CC2)c(C)o1 41121978 GWXBQEHOJRTXPJ-UHFFFAOYSA-N 317.389 3.423 0 40 DGAB O=C(CCSc1ccccc1)NCC[C@H](O)c1ccco1 77111051 NRXHAIJNPIHNRG-AWEZNQCLSA-N 305.399 3.002 0 40 DGAB O=C(OCC1c2ccccc2-c2ccccc21)N1CCCNCC1 95932320 TUPKBBKZFVLOTJ-UHFFFAOYSA-N 322.408 3.231 0 40 DGAB CO[C@@H](C)c1noc(COc2ccccc2-c2nccs2)n1 97103790 FBUGFYPSBZULKM-JTQLQIEISA-N 317.370 3.480 0 40 DGAB CC(C)n1ccc2ccc(C(=O)N[C@@H]3CN4CCC3CC4)cc21 95476624 OSDKPUFISMGXGJ-QGZVFWFLSA-N 311.429 3.046 0 40 DGAB O=C(O)c1c(I)cc2ccccc2c1F 98174805 VTAWRVUZHAKTHV-UHFFFAOYSA-N 316.069 3.282 0 40 DGAB CC(=O)Nc1cccc(CN(C[C@H](O)c2ccccc2)C2CC2)c1 96410362 SUVDSGFJMJJQJP-FQEVSTJZSA-N 324.424 3.343 0 40 DGAB O=C(CC1CCCC1)N1CCC2(CC1)CNCc1ccccc12 96156919 PDVNUNNRJHXVNC-UHFFFAOYSA-N 312.457 3.230 0 40 DGAB CC(=O)N1CCC(CCc2ccnc(Nc3ccccn3)c2)CC1 257226209 FJQKIYXTQSTYOS-UHFFFAOYSA-N 324.428 3.411 0 40 DGAB CC(C)(C)c1ccc2cc(C(=O)NCc3cc(=O)cc[nH]3)[nH]c2c1 585088077 JHOVHOIXONBZSK-UHFFFAOYSA-N 323.396 3.084 0 40 DGAB CC(C)[C@@H]1CN(C(=O)c2ccn3nccc3n2)c2ccccc21 585129772 VVYWAQCXRUDVMH-AWEZNQCLSA-N 306.369 3.129 0 40 DGAB CCOC(=O)C1CCN(C(=O)C[C@@H](C)C2CCCCC2)CC1 65521158 ZRXAULDQLKBKDM-CQSZACIVSA-N 309.450 3.395 0 40 DGAB Cc1cccc([C@@H]2CC(c3ccsc3)=NN2S(C)(=O)=O)c1 89669372 RMAGJQHHAITMKV-HNNXBMFYSA-N 320.439 3.167 0 40 DGAB C[C@@H](CCCO)NC(=O)Nc1ncc(-c2ccccc2)s1 79074390 FROVJFBYSUFCFK-NSHDSACASA-N 305.403 3.093 0 40 DGAB CCNC(=O)c1ccc(CNc2ncc(Cl)cc2F)cc1 79295952 VSCZFZHYZNELMI-UHFFFAOYSA-N 307.756 3.236 0 40 DGAB CCCCOCCOCCSCCOCCOCCCC 5420352 RUJOQHYRFAIBJF-UHFFFAOYSA-N 322.511 3.386 0 40 DGAB Ic1ccccc1CN1CCCCC1 16124466 OBPRBFCDPRYNIP-UHFFFAOYSA-N 301.171 3.277 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1 16009576 NBIPAAFEDPJUPS-CYBMUJFWSA-N 319.788 3.303 0 40 DGAB CCC(=O)N1CCCC[C@@H]1c1ccnc2cc(C(C)(C)C)nn12 19498827 JUKRAKYVPKYZED-CYBMUJFWSA-N 314.433 3.490 0 40 DGAB Cc1ccccc1OCCCn1cncc1-c1cn(C)nc1C 19719518 SDHHTZXANZIFGH-UHFFFAOYSA-N 310.401 3.370 0 40 DGAB O=C(NO[C@H]1CCCCO1)N[C@@H](c1ccc(F)cc1)C1CC1 163076424 JGDJXKOHZMYLLT-LSDHHAIUSA-N 308.353 3.034 0 40 DGAB CC(=O)c1ccccc1N/C=C\c1nnnn1-c1ccc(F)cc1 5283806 YCDZXFAIDUOVIJ-KHPPLWFESA-N 323.331 3.087 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)Nc1cccc(C)c1C 7070164 FASYAXCHJXVYOM-UHFFFAOYSA-N 310.397 3.370 0 40 DGAB CCc1ncnc(N2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)c1F 1889077150 BIACRVJVHDJHBQ-STQMWFEESA-N 315.396 3.056 0 40 DGAB c1ccc(N2C[C@H]3CCN(c4nccc5ccccc45)[C@H]3C2)nc1 1889208824 SWECFVALNGKOFS-AEFFLSMTSA-N 316.408 3.345 0 40 DGAB Cc1nc(NC(=O)CC[C@H]2CCCO2)sc1-c1ccccn1 31906735 VFNJZHIHIFFUNR-GFCCVEGCSA-N 317.414 3.411 0 40 DGAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(Cl)c[nH]1 32777133 YSPWZRNWBFDZFT-UHFFFAOYSA-N 303.705 3.075 0 40 DGAB O=C(CNCc1ccccc1)Nc1ccccc1N1CCCCC1 35311484 MIGHHGDAKSEQFV-UHFFFAOYSA-N 323.440 3.405 0 40 DGAB CN(C)c1ccc(CCNC(=O)c2cccc(Cl)c2)cc1 11693616 ZWWCNKQUOGGQQE-UHFFFAOYSA-N 302.805 3.379 0 40 DGAB Cc1ccc(SCCC(=O)Nc2sccc2C(N)=O)cc1 4496537 GXYUMOHGXORSAJ-UHFFFAOYSA-N 320.439 3.276 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H]1c1ccncc1 32907462 CEVZUUAKDUBVKV-CQSZACIVSA-N 302.761 3.418 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccccc1C(F)(F)F 74720 XBAKTJUSENWECX-UHFFFAOYSA-N 315.316 3.184 0 40 DGAB CCCCn1c(CCNC(=O)c2cccnc2)nc2ccccc21 40181244 GXMHULRRMUSFMR-UHFFFAOYSA-N 322.412 3.204 0 40 DGAB O=C(O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 2336000 XPPWBHFKFCPHJJ-UHFFFAOYSA-N 308.158 3.252 0 40 DGAB aggregator O=C(COc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1 10925142 VRQBXIMYLZYXQE-UHFFFAOYSA-N 310.353 3.053 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@@]3(C)CC[C@@H]2C3(C)C)cc1 1577958 RXLBHJGTNPNLEM-YQQAZPJKSA-N 307.459 3.488 0 40 DGAB CN(C)c1cc(C(=O)N2CCC[C@H]2c2cccs2)ccn1 40535453 DAJGVCIHLQYYDF-ZDUSSCGKSA-N 301.415 3.186 0 40 DGAB CC1(C)C[C@](CCN2C(=O)CCC2=O)(c2ccccc2)CCO1 4029688 LAMAGWPQBOVVRK-LJQANCHMSA-N 315.413 3.053 0 40 DGAB biogenic Cc1ccc(CNC(=O)COC(=O)c2ccccc2C)cc1C 51356341 PWMFLOZRGYGTDT-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB O=c1oc2ccccc2c(N2CCCCC2)c1CN1CCCC1 272745 PPBJWIWNHCYDBJ-UHFFFAOYSA-N 312.413 3.379 0 40 DGAB CCOc1c(/C=C2\N=C(c3ccccc3)OC2=O)cccc1OC 4997867 HVIVNKXANUXXBE-QINSGFPZSA-N 323.348 3.438 0 40 DGAB COC(=O)CCCN(C)C(=O)c1ccc(Cl)c(Cl)c1 51769048 XYTMUFWMOGRNGG-UHFFFAOYSA-N 304.173 3.019 0 40 DGAB Cc1nnc(SCC(=O)N[C@@H](C)CCc2ccccc2)s1 7193119 GSQGSRCBVDEXHZ-NSHDSACASA-N 321.471 3.076 0 40 DGAB Cc1ccc(C(=O)O)cc1-c1cccc(CN2CCOCC2)c1 32576487 UIUXNTOCLHSFIS-UHFFFAOYSA-N 311.381 3.192 0 40 DGAB C[C@@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)OCCCO2 46070255 ROVXPWGESCMBRC-GFCCVEGCSA-N 313.357 3.126 0 40 DGAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc12 58173493 BMZDSKVAXKBKJQ-QWHCGFSZSA-N 313.401 3.265 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)CC[C@H]2CCCO2)CC1 46326397 NLSLHOOYIFGROU-QGZVFWFLSA-N 315.413 3.067 0 40 DGAB O=C(NC[C@@H]1CCOC1)c1csc(-c2ccc(Cl)cc2)n1 41371738 CCACVSJKOYFVHS-JTQLQIEISA-N 322.817 3.230 0 40 DGAB CCSc1nnc(NC(=O)Cc2c[nH]c3ccccc23)s1 2653865 PJGXSGAQQCVGTJ-UHFFFAOYSA-N 318.427 3.313 0 40 DGAB CCc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C)(C)O2 9692024 BQEWUNDEJADDOO-CYBMUJFWSA-N 304.777 3.289 0 40 DGAB Cn1ccs/c1=N/C(=O)c1cccnc1Oc1ccccc1 103379613 PDZFFNQHUJPAPL-FBMGVBCBSA-N 311.366 3.015 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 22515450 WNDDKSLRIPWTRL-CYBMUJFWSA-N 313.353 3.304 0 40 DGAB Cc1c(C)n(C)c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc12 2762797 NALKHGRNCABKCM-UHFFFAOYSA-N 321.380 3.146 0 40 DGAB CCOC(=O)c1ccc(N2CCc3sccc3[C@@H]2C)nc1 24054962 LKSFPZUSQUFLKA-NSHDSACASA-N 302.399 3.444 0 40 DGAB O=C1CCCC[C@@H]1Sc1nnc2ccc(C(F)(F)F)cn12 24139524 FIWBAQJPJLADDW-JTQLQIEISA-N 315.320 3.352 0 40 DGAB CC(C)(C)N[C@H](NC(=O)c1ccco1)C(Cl)(Cl)Cl 24302973 RVAVPEJHWKEIHQ-VIFPVBQESA-N 313.612 3.094 0 40 DGAB O=C(c1ccc2c(c1)OCCO2)N1CCCc2ccc(F)cc21 47370295 YUGSMZMOQZDPCT-UHFFFAOYSA-N 313.328 3.190 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-n2ccnc2)nc1 24749241 UPDDPWGONUADPA-LBPRGKRZSA-N 324.409 3.088 0 40 DGAB Fc1ccc([C@@H]2CCCN2Cc2nnnn2-c2ccccc2)cc1 25361931 SPEQPIUDQBQYCW-KRWDZBQOSA-N 323.375 3.139 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@H]2CCC[C@@H]21 56193872 NBCLIEABDLFMJB-IRXDYDNUSA-N 314.360 3.076 0 40 DGAB C[C@@H](Sc1nnc(N)s1)c1nc(-c2cccs2)no1 26015500 NCRSWRBNGNIJJN-RXMQYKEDSA-N 311.417 3.085 0 40 DGAB CCc1noc(C)c1C(=O)N[C@@H](c1ccccc1)c1ccccn1 56824751 GSLCAZXPHVAFBK-SFHVURJKSA-N 321.380 3.460 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)[C@@H]1CCCO1 35239070 PLSMVYFZZKJAOZ-YGRLFVJLSA-N 304.777 3.186 0 40 DGAB COc1cccc(CNC(=O)N(C)Cc2ccccc2OC)c1 17070016 MSPQLRDQAMBVPB-UHFFFAOYSA-N 314.385 3.045 0 40 DGAB CCCc1noc([C@@H](C)Nc2cccc(N3CCCC3=O)c2)n1 26984704 PNOPXPWRLTXQNJ-GFCCVEGCSA-N 314.389 3.322 0 40 DGAB O=C(Nc1ccc(F)cc1)C1(C(=O)N2CCCCCCC2)CC1 58085798 YIUBKBKJRNPBEE-UHFFFAOYSA-N 318.392 3.337 0 40 DGAB CC1(C)CC(NC(=O)/C=C/c2ccc(F)cc2)CC(C)(C)N1 3242581 OQCQWAAXYMQVCI-JXMROGBWSA-N 304.409 3.264 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 27337790 CJOCLGLFQVDCOZ-UKRRQHHQSA-N 310.397 3.107 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1 58290695 BYTSBWYRRFIPSB-SFHVURJKSA-N 323.396 3.381 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H]2C[C@H]2c2ccccc2)cs1 58229433 PAKDOAWZFDSDKU-GJZGRUSLSA-N 301.415 3.149 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)CCNC(C)=O)c(C)c1 58305731 OKCHHDVKVXFOAZ-LBPRGKRZSA-N 308.447 3.350 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2c(C)noc2C(C)C)c1 8249276 LYKASKDZLRRBLS-UHFFFAOYSA-N 316.357 3.454 0 40 DGAB COC(=O)c1ccc(NC(=O)N2CCc3sccc3C2)cc1 48343874 GUMDXGUWUVRNCJ-UHFFFAOYSA-N 316.382 3.125 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)c2c(F)cccc2Cl)c1 12903109 JBTCLTTWELLRSB-UHFFFAOYSA-N 320.751 3.433 0 40 DGAB O=C(NCCCn1cccn1)Nc1cc(Cl)ccc1Cl 38639447 FUWMXFSBCNPHQL-UHFFFAOYSA-N 313.188 3.402 0 40 DGAB Cc1cccc(CN(Cc2cccc(C)n2)C(=O)c2ccc[nH]2)n1 81930844 KVEPNNLIZKYSRV-UHFFFAOYSA-N 320.396 3.264 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)Nc1c(C)noc1C 69519063 KMMKEDOETWTSBS-UHFFFAOYSA-N 303.362 3.143 0 40 DGAB COc1cccc(CNC(=O)Cc2c(F)cccc2Cl)c1 6236593 KCXPTUBONUZCJR-UHFFFAOYSA-N 307.752 3.347 0 40 DGAB COc1ccc(C(C)=O)cc1COc1ccccc1NC(C)=O 6231736 UQEIIEZQFNPZIQ-UHFFFAOYSA-N 313.353 3.435 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 14043499 HFAXNCUDBCCDKV-JOYOIKCWSA-N 318.373 3.190 0 40 DGAB O=C(CCc1ccsc1)Nc1cccc(N2CCCC2=O)c1 18092364 YFNDHBXFENLAOU-UHFFFAOYSA-N 314.410 3.446 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 6561080 AGOCHJQAFCXVGT-UHFFFAOYSA-N 323.439 3.113 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccccc1Cl 18155973 VBATVRRQQXTOIV-UHFFFAOYSA-N 303.745 3.341 0 40 DGAB Cc1nn(C)cc1C(=O)Nc1cc(Cl)ccc1NC1CC1 89544315 VIVCKNMPNSENFT-UHFFFAOYSA-N 304.781 3.209 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)N1CCC2(CCNCC2)C1 67965436 IXUMNWDXDDIEQB-UHFFFAOYSA-N 311.788 3.087 0 40 DGAB Cc1ccc(C(C)C)cc1OCC(=O)/N=c1/sccn1C 7780312 DGYNXLVLWPYGCN-WUKNDPDISA-N 304.415 3.025 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1 71185787 CSHKFRSQERZPRH-AWEZNQCLSA-N 315.442 3.219 0 40 DGAB CC[C@@H](NC(=O)[C@H](C)OC1CCCCCC1)c1noc(C)n1 89947997 UGVDLXHEQXSHAT-SMDDNHRTSA-N 309.410 3.073 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 72298821 GZDSBVPJYLSSCT-LBPRGKRZSA-N 319.430 3.330 0 40 DGAB CCC(C)(C)NC(=O)[C@@H](C)NC1(c2nc(C)cs2)CCC1 75581886 SXHCJRRHUJMNNX-GFCCVEGCSA-N 309.479 3.114 0 40 DGAB C[C@@H](Nc1ccc(Oc2cccc3cccnc23)cc1)C(N)=O 97085767 QUUQNSWHCJPIBS-GFCCVEGCSA-N 307.353 3.313 0 40 DGAB COC[C@H](NC(=O)Nc1cc(C)cc(C)n1)c1ccc(C)o1 97142880 WUAXFXWMJLTCRL-ZDUSSCGKSA-N 303.362 3.109 0 40 DGAB C[C@H](CNC(=O)Nc1cc(C(C)(C)C)on1)c1nccs1 97113227 LFGFKILKPMMZFU-SECBINFHSA-N 308.407 3.354 0 40 DGAB CCOCc1ccc(CNCc2c[nH]nc2-c2cccnc2)cc1 97159361 ZWPQLANIUFCJLP-UHFFFAOYSA-N 322.412 3.298 0 40 DGAB O=C(NCCn1cccc1)Nc1ccccc1OC(F)(F)F 72314287 RIGUOBXDUYSTIE-UHFFFAOYSA-N 313.279 3.208 0 40 DGAB C[C@@H](N[C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 97234808 KERVYLVYOCMPNI-BDAKNGLRSA-N 314.501 3.339 0 40 DGAB Cc1cccc(C2CC(Nc3cccc(C(=O)NCCO)c3)C2)c1 97373008 QTVQUKAOHRIDBJ-UHFFFAOYSA-N 324.424 3.075 0 40 DGAB CC(C)CC(CC(C)C)NC(=O)c1ccc2c(c1)OCC(=O)N2 84457019 KOADSYAVQOASTD-UHFFFAOYSA-N 318.417 3.208 0 40 DGAB Cc1csc(CNc2cccc(Br)c2CO)n1 95428850 XWKPBLCJAIYKRL-UHFFFAOYSA-N 313.220 3.318 0 40 DGAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccccc1Cl 95469828 WEKFQJHANOZUGR-NSHDSACASA-N 304.777 3.271 0 40 DGAB CN(C(=O)Nc1ccc(OC[C@H]2CCOC2)cc1)C1CCC1 95403984 SPBDJLMKRSPQJC-ZDUSSCGKSA-N 304.390 3.118 0 40 DGAB Cc1ccc(OC[C@@H](C)NCc2ccc([S@@](C)=O)cc2)cc1 95409636 MUUWVHMSAOPYSV-QRQCRPRQSA-N 317.454 3.290 0 40 DGAB Cc1cccc(CC2CN(C(=O)c3cc(C(C)C)nn3C)C2)c1 85458195 RYKOYSMHXUYFMT-UHFFFAOYSA-N 311.429 3.167 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCC2)cc1[C@@H](C)CC 95946072 QEBAUFULHHOTFZ-ZDUSSCGKSA-N 311.447 3.383 0 40 DGAB COc1cccc(C(=O)N2CCN(c3ccccc3)C[C@@H]2C)c1 74755836 SBGWRCPHIQVMBT-HNNXBMFYSA-N 310.397 3.046 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2cnc(C)s2)C1 89274923 YOAOEYRZLJXUQO-RYUDHWBXSA-N 313.492 3.267 0 40 DGAB O=C(Nc1ccccc1)[C@@H](Sc1ncn[nH]1)c1ccccc1 9949582 SRYCANNFUROGMT-AWEZNQCLSA-N 310.382 3.277 0 40 DGAB Cc1cccnc1C[C@H](C)N(C)C(=O)c1ccc2cccnc2n1 67896317 OPBMCARGMCWPSY-AWEZNQCLSA-N 320.396 3.036 0 40 DGAB Cc1oc2ccc(OC(=O)N(C)C)cc2c1C(=O)OC(C)C 2354246 IUWCBSWRZIANNQ-UHFFFAOYSA-N 305.330 3.367 0 40 DGAB biogenic COc1nc(C(F)(F)F)ccc1-c1cnc2c(c1)CCCO2 527588666 MSIAAWVLIIPJBA-UHFFFAOYSA-N 310.275 3.496 0 40 DGAB CCOc1ccc2[nH]c(=O)c(CNc3ccc(O)cc3)cc2c1 72396062 ZEMYNNMIYVHWKY-UHFFFAOYSA-N 310.353 3.245 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccc(N3CCC(C)CC3)cn2)C1 72364755 KQZUUQLVHAIAJL-MRXNPFEDSA-N 301.434 3.044 0 40 DGAB Cn1cc(/C=C2\SC(=O)N=C2Nc2ccc(F)c(F)c2)cn1 72400432 AABRVBURSIILGR-QCDXTXTGSA-N 320.324 3.417 0 40 DGAB COc1cccc(OCCNC(=O)Cc2cc(C)ccc2C)c1 76130117 TYHKJIVVPNENKX-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB COc1ccc(-c2cnc(NCc3ncc(C)s3)n2C)cc1 564777555 YYDLFYSGNPQARD-UHFFFAOYSA-N 314.414 3.473 0 40 DGAB Cc1nc(C)c(CC(=O)N2CCCC[C@@H]2c2n[nH]cc2C)s1 72386131 CMBGRQBDARDEGD-CYBMUJFWSA-N 318.446 3.088 0 40 DGAB CCCCCNC(=S)Nc1ccc(Br)cn1 225194497 GIBBDOBFGWMLHV-UHFFFAOYSA-N 302.241 3.321 0 40 DGAB Cc1cc(NC(=O)CCn2cccn2)ccc1Oc1ccncc1 192589334 KKJXDQCOMWMBMS-UHFFFAOYSA-N 322.368 3.408 0 40 DGAB CNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 225830556 RAFRVDSCYJNGQY-UHFFFAOYSA-N 307.353 3.082 0 40 DGAB O=C(c1cc(-c2cccc3ccccc23)[nH]n1)N1CCSCC1 44838741 AJKBBFXBRBKEDC-UHFFFAOYSA-N 323.421 3.419 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC1CCCC1 223814070 RWWIVQJGZZATFV-OAHLLOKOSA-N 316.445 3.181 0 40 DGAB O=C(NCCc1nc2ccccc2s1)Nc1ccncc1F 195562871 XIUMBFVSDURMMY-UHFFFAOYSA-N 316.361 3.195 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NCC 224223361 MXOIZDSTGKGPFC-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 98089118 VNZXUJLWKOKVCE-OCCSQVGLSA-N 311.809 3.283 0 40 DGAB c1cncc(OC[C@@]23CCC[C@@H]2CN(Cc2nccs2)C3)c1 96109225 JXOBUGXGQJXXNR-PBHICJAKSA-N 315.442 3.219 0 40 DGAB Cn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 252493886 NFWTZZHKNYISQT-VQFGERMISA-N 320.392 3.041 0 40 DGAB Cc1nc([C@H]2CCCCN2C(=O)C(C)(C)C)cc2cncn12 257326750 WYLPLJBYBGTCNX-OAHLLOKOSA-N 300.406 3.137 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257266503 MDGXYTRXXPOOIO-KRWDZBQOSA-N 309.413 3.374 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2cc(F)cc(F)c2)O[C@@H]2CCCC[C@@H]12 257294186 QSYUBYGRHVKQEV-YLFCFFPRSA-N 309.356 3.490 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 257231313 GGDHGBVWKFPPRF-QGZVFWFLSA-N 309.413 3.042 0 40 DGAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@H]2C[C@H]2C)c1 44673382 FCUYQQPIWXRKSQ-WBMJQRKESA-N 310.349 3.488 0 40 DGAB CCc1nc(C(=O)N2CCCCC2)nn1-c1ccccc1Cl 58341505 YIHMBKQWMYEUDO-UHFFFAOYSA-N 318.808 3.109 0 40 DGAB Cc1nc2n(c1C)CCN(Cc1nc(-c3ccccc3)oc1C)C2 65474350 QRNNCSODDBPZQX-UHFFFAOYSA-N 322.412 3.479 0 40 DGAB CC[C@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 7078139 YOEJZUPZMNNLBI-GJSJWPQCSA-N 319.382 3.065 0 40 DGAB C[C@H](NC(=O)NC1CCCCC1)c1nc(-c2ccccc2)no1 12654804 BVJSDLUAGQEZKM-LBPRGKRZSA-N 314.389 3.430 0 40 DGAB O=C(NCCc1cccc(F)c1)c1ccc(Cn2cccn2)cc1 12756118 LBTIQBLAAHVMNJ-UHFFFAOYSA-N 323.371 3.043 0 40 DGAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1F)c1ccsc1 13011118 JGUQZYZVCWZZTP-ZDUSSCGKSA-N 310.369 3.059 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1Cl 13154542 YYOKOHYQKWIPBT-JLUCKKNBSA-N 301.773 3.350 0 40 DGAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cc[nH]n1 156601416 ZUGGDZACKGCRQI-UHFFFAOYSA-N 306.536 3.328 0 40 DGAB CCCCCCC1=C(C)C(=O)N([C@H](C(=O)O)[C@@H](C)CC)C1=O 253402145 NZKFGKHNLPXKQI-FZMZJTMJSA-N 309.406 3.141 0 40 DGAB biogenic,in-vitro Clc1cccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889160434 AELUVNJNGLJONT-UHFFFAOYSA-N 304.806 3.283 0 40 DGAB COc1cccc(CN2C[C@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 1203822157 BMMRQWVVLNAWBY-WOJBJXKFSA-N 322.452 3.259 0 40 DGAB O=c1c2ccc(Cl)cc2[nH]c(=S)n1Cc1ccccn1 425258 RVRVZYVVOGVQFI-UHFFFAOYSA-N 303.774 3.156 0 40 DGAB CCOC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036520 YDFDDXZTGIOMED-UHFFFAOYSA-N 314.341 3.047 0 40 DGAB O[C@@](CNc1ncnc2ccsc12)(c1cccs1)C1CC1 1775972796 WGKFFLHUGMHJLB-OAHLLOKOSA-N 317.439 3.463 0 40 DGAB O=C(OC1CCOCC1)N1CCS[C@@H](c2ccccc2)CC1 206989494 QZAFSDQPLCFQOP-MRXNPFEDSA-N 321.442 3.482 0 40 DGAB COC(=O)c1ccc2c(c1)[nH]c1cc(Br)cnc12 584641090 BBWSWPFUYQBRAN-UHFFFAOYSA-N 305.131 3.265 0 40 DGAB O=C(N[C@@H]1CCN2CCC[C@@H]2C1)N(CC1CC1)C1CCCCC1 96403736 YWXCIYZOWCZURQ-SJLPKXTDSA-N 319.493 3.368 0 40 DGAB C[C@H]1CCCCN1CCNC(=O)C12CC3CC(CC(C3)C1)C2 40107537 RUEIMMIMMQVANF-ISOUWHGUSA-N 304.478 3.193 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@]1(O)c1ccc(Br)cc1 55472 LGFVNGURPFMREG-BONVTDFDSA-N 321.170 3.454 0 40 DGAB COc1ccc(NC(=O)c2ccc(Br)cc2)c(N)c1 419979 QHNBYAJLKRYPKP-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1csc(C)n1 45342872 SYYJAALTEXXDOW-SECBINFHSA-N 323.393 3.160 0 40 DGAB CN(C(=O)CNc1ccc(NC(=O)C2CC2)cc1)c1ccccc1 10941092 CLCHZSULBUCFJF-UHFFFAOYSA-N 323.396 3.110 0 40 DGAB C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 28634794 QZXMHTDVUDOCSJ-AWEZNQCLSA-N 309.369 3.275 0 40 DGAB Cc1cc(S(=O)(=O)N(C)[C@H](C)c2cccnc2)sc1C 91039916 CLSNFGJATXYYFX-LLVKDONJSA-N 310.444 3.142 0 40 DGAB COC(=O)C[C@@H](NC(=O)C1CCCC1)c1ccccc1Cl 31376605 RJOAMBJIJKPABK-CQSZACIVSA-N 309.793 3.251 0 40 DGAB Cc1ccc(F)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 40526373 NOCHMTXHXMHKHL-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1F 36739173 LFHOMEVENLFDMM-SJKOYZFVSA-N 315.344 3.013 0 40 DGAB CN(C)Cc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 9049379 ISZLJNQALSXCAH-UHFFFAOYSA-N 312.457 3.447 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)Cc2csc(-c3ccccn3)n2)C1 29515077 HVIPVWOFXDMJCF-BETUJISGSA-N 315.442 3.252 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1cccnc1S 11837201 IJDNOMXOZVBRMW-UHFFFAOYSA-N 317.395 3.017 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)N(C)Cc1ccccc1 2648505 VJKONJUEIYYYLY-OUKQBFOZSA-N 311.381 3.376 0 40 DGAB Cn1cc(C(=O)OCc2cc(-c3ccc(Cl)cc3)no2)cn1 32885759 COXNEBMUINJBRA-UHFFFAOYSA-N 317.732 3.086 0 40 DGAB O=C(O)[C@H](Cc1ccc(Cl)cc1Cl)N1CCCCC1 57630377 LYJOAPUOUNKEAB-ZDUSSCGKSA-N 302.201 3.475 0 40 DGAB Cc1nccc(C(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)n1 69457431 YLLCTUMYTMZYBE-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB COc1ccc(CCC(=O)NCCc2ccccc2F)cc1 23643157 CJIWREJZRFTSRH-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB CSc1nc2sc3c(c2c2nncn12)C[C@@H](C(C)C)OC3 547409 HHZQISQHLUTQDA-VIFPVBQESA-N 320.443 3.158 0 40 DGAB COCCCn1c(-c2ccc(C)cc2)nc2ccccc2c1=O 20799313 VBROIUUIHFRIAP-UHFFFAOYSA-N 308.381 3.408 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2OC)cc1 54363337 ZQYDIEQJBLPHSJ-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB CC(C)N1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 53371300 CADKUKCJWMQRJH-WMLDXEAASA-N 318.461 3.325 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)Nc2ccc(F)cc2)c1 43144814 KQUBWGCCFMFCPD-UHFFFAOYSA-N 301.321 3.106 0 40 DGAB C[C@H](c1ccc2ccccc2c1)N1CCC(N2CCNC2=O)CC1 56285214 KSOHOZXZAAJXBJ-OAHLLOKOSA-N 323.440 3.390 0 40 DGAB Cc1ccc(C)c(OCC(=O)Nc2nc3c(s2)CCC3)c1 25768048 KTUBRAKEGMSBJJ-UHFFFAOYSA-N 302.399 3.266 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)N[C@H]2CCCc3occc32)C1 107496881 WMUVOEYLTGTTGR-ZBFHGGJFSA-N 319.449 3.077 0 40 DGAB Cc1ccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)nc1 27980411 VHGCICRAYIJMOE-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1 1934144 UQBYZZAEJLYPBN-OUKQBFOZSA-N 309.365 3.444 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)N(Cc1ccncc1)C1CC1 58064508 MIHLECCCKGLZDW-JLHYYAGUSA-N 314.410 3.047 0 40 DGAB CN1CCCN(C(=O)c2ccccc2OCc2ccccc2)CC1 3225613 SACGKHKNHGPXGJ-UHFFFAOYSA-N 324.424 3.043 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 58339000 CMQCBPUMAKYVNV-HNNXBMFYSA-N 312.369 3.153 0 40 DGAB COc1ccccc1CNC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 58358166 OKCSXPCPZNMHRO-LBPRGKRZSA-N 324.384 3.132 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)c1ncnc2c1cnn2C 45026413 CZOZRBDNUVILML-LLVKDONJSA-N 307.357 3.307 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)[C@H]1CCCO1 27908138 OTNVZVJTERVLDI-QMTHXVAHSA-N 320.776 3.292 0 40 DGAB COc1ccc([C@]2(C)NC(=O)N(CC3CCCCC3)C2=O)cc1 8272915 YLCUESLRYZIZEX-SFHVURJKSA-N 316.401 3.043 0 40 DGAB CCCc1n[nH]c(SCC(=O)c2ccc3c(c2)CCC3)n1 12947240 RBEBJQGLPMPJJR-UHFFFAOYSA-N 301.415 3.221 0 40 DGAB COc1ccc(C2=NN=C(NC3CCCCC3)SC2)cc1 6049188 GGYSQASRGHBRID-UHFFFAOYSA-N 303.431 3.424 0 40 DGAB CN(C(=O)C[S@](=O)c1cccc(Cl)c1)c1ccccc1 5208516 PFQBJTHJSMPTQY-HXUWFJFHSA-N 307.802 3.111 0 40 DGAB C[C@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F 69627009 ZBFGWVKMOVARCG-GXFFZTMASA-N 321.352 3.092 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)c1ccc(-n2cncn2)cc1 14134654 YOBAGDWOMQPDBF-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB CCCC(=O)Nc1nnc(COc2cccc(C)c2C)s1 4681100 DZCGKIDFKIVUNX-UHFFFAOYSA-N 305.403 3.473 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1nc2ccccc2n1C 75132490 OTTFVFBBIAXGPH-QGZVFWFLSA-N 323.444 3.261 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1cccc2cccnc12 69929857 GPJHKHZOWNTIST-OALUTQOASA-N 323.440 3.210 0 40 DGAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1 6929488 VEERNHLPLZBXFG-ZDUSSCGKSA-N 307.390 3.125 0 40 DGAB COc1ccc(C(=O)Nc2c(F)cccc2N2CCCC2)cn1 67167651 DVLGGBMNNCMPSX-UHFFFAOYSA-N 315.348 3.082 0 40 DGAB COc1ccc(CN(C)CC(=O)NCCC2=CCCCC2)cc1 15295603 SZUMJDIRMSNTAM-UHFFFAOYSA-N 316.445 3.134 0 40 DGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)Nc1nccs1 7210372 RZBVGFWKEJMBNB-OWOJBTEDSA-N 308.746 3.177 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1nc(C)no1 67783929 ZPKZOOYLUVBWGI-UHFFFAOYSA-N 301.129 3.466 0 40 DGAB Cc1ccc(CC(=O)N2CCCCC[C@H]2c2cccn2C)cn1 70679630 GYMZHYQSDYJRCU-SFHVURJKSA-N 311.429 3.415 0 40 DGAB CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@@H]2C2CCCC2)C1 96010462 NUGJYDGMOVTAAJ-OAHLLOKOSA-N 322.449 3.035 0 40 DGAB CCOc1ccc(NC(=O)N(C)C[C@@H](C)c2nccs2)cn1 96010596 YNZAYNAIGURORO-LLVKDONJSA-N 320.418 3.204 0 40 DGAB COC(=O)c1cccc(CSc2nnc(NC(C)C)s2)c1 9514194 ZPDKRUIMQHQULZ-UHFFFAOYSA-N 323.443 3.437 0 40 DGAB CN(CC1CC1)C(=O)c1cnc(Cc2ccc(F)cc2)s1 71874763 LIEMBTATQDSJGP-UHFFFAOYSA-N 304.390 3.355 0 40 DGAB Cc1nc2cc(C(=O)O[C@@H]3CCC[C@H]3n3cccn3)ccc2n1C 97112992 UOGUTKLWTOISMX-IAGOWNOFSA-N 324.384 3.029 0 40 DGAB COc1cccc(C2(C(=O)NCC[C@@H](O)C(C)C)CCCC2)c1 76022740 GHNIXHZLLVOUPG-QGZVFWFLSA-N 319.445 3.030 0 40 DGAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)[C@H]1CCCO1 72401607 HGSHAEDQDLQHQB-MRXNPFEDSA-N 323.352 3.473 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc(-n3nccn3)cc2)C1(C)C 84671103 LVOVKNYHPCBZKI-JKSUJKDBSA-N 310.401 3.444 0 40 DGAB Cc1noc(C)c1CC[S@@](=O)[C@@H]1CCc2c(F)cccc21 95439219 DLWITDPAPRXLPJ-IERDGZPVSA-N 307.390 3.409 0 40 DGAB COc1ccc([C@@H](C)NCc2cn3ccsc3n2)cc1F 95421021 QQWWJKRSIFJHNW-SNVBAGLBSA-N 305.378 3.394 0 40 DGAB CN(C(=O)NC[C@H](c1cccs1)N1CCCC1)C1CCC1 73494834 JERWVLIUZHPMRC-CQSZACIVSA-N 307.463 3.079 0 40 DGAB COc1ccc(F)cc1C[S@@](=O)Cc1ncc(C(C)C)o1 85224268 RKCYEPAIELXYRR-NRFANRHFSA-N 311.378 3.395 0 40 DGAB C[C@@H]1C[C@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCO1 95988674 QXISRXVSBUBJAN-CHWSQXEVSA-N 317.385 3.482 0 40 DGAB CCc1ccc(CCC(=O)N(C)[C@H](C)C2CCN(C)CC2)cc1 95979433 FEKHGBHVVSTXHX-MRXNPFEDSA-N 316.489 3.370 0 40 DGAB COc1ccccc1CNc1nnc(Cc2ccccc2F)o1 95990078 YDZARQXRGNDJQN-UHFFFAOYSA-N 313.332 3.420 0 40 DGAB Cc1cccc(C(=O)NC[C@@](C)(O)c2ccccc2Cl)c1 95943430 ZYRUDOKHMKUWDV-QGZVFWFLSA-N 303.789 3.286 0 40 DGAB Brc1cnc(N[C@@H]2CCO[C@@H]2c2ccccc2)nc1 75092146 LEESQGCAYKTRCM-CHWSQXEVSA-N 320.190 3.181 0 40 DGAB Fc1cccc(-c2cnc3n2CCN(Cc2cccnc2)C3)c1 306130953 JTHFBEGWTAMRJY-UHFFFAOYSA-N 308.360 3.100 0 40 DGAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)CC(F)(F)C(F)F 1550296983 SQFDVMIFRPJWKE-LLVKDONJSA-N 318.314 3.014 0 40 DGAB CCC[C@@H](C)NC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713458 ZNNGSXMZOVBKII-CYBMUJFWSA-N 300.402 3.248 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N2CCC[C@@](C)(F)C2)c(OC)c1 1520021584 MJLPTNNPFIQBSN-SJKOYZFVSA-N 324.396 3.298 0 40 DGAB O=C(C[C@H](c1ccsc1)n1cccc1)NCCn1cccc1 524733730 KYSBTFZZZPEGOM-MRXNPFEDSA-N 313.426 3.147 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)NCc2ccc(F)cc2)c1 35597161 OLXHRDUWCIRQPA-UHFFFAOYSA-N 316.376 3.321 0 40 DGAB CCc1c[nH]c(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)n1 189856844 IVJVRXGKLQFCNL-SNVBAGLBSA-N 310.444 3.229 0 40 DGAB CC(=O)N1CCC[C@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72354601 LSAYVWZURNPTAT-AWEZNQCLSA-N 316.792 3.063 0 40 DGAB O=C(NCCc1nncn1C1CC1)Nc1cccc2ccccc12 77507526 OEZFYCACWUWWHO-UHFFFAOYSA-N 321.384 3.130 0 40 DGAB CSc1cccc2sc(NC(=O)c3snnc3C)nc12 36679022 BUSWWHWKTCPCBX-UHFFFAOYSA-N 322.440 3.430 0 40 DGAB CN(CC(=O)c1c[nH]c2ccccc12)Cc1nccn1C(F)F 72766353 MPLNNCIQFVUMRZ-UHFFFAOYSA-N 318.327 3.074 0 40 DGAB CCOCOc1cc(C)cc(C)c1I 2362804855 NUBXGUDALMRAIR-UHFFFAOYSA-N 306.143 3.281 0 40 DGAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 72227503 YLGCKJATDXAZLX-GJZGRUSLSA-N 320.314 3.429 0 40 DGAB O=C(CSc1nc(O)c2sccc2n1)Nc1ccccc1 32765485 DMLULAZGWSVALE-UHFFFAOYSA-N 317.395 3.128 0 40 DGAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 72227122 MQZBLZROYQHMBP-HUUCEWRRSA-N 320.314 3.429 0 40 DGAB CC(C)(C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184890 YAHHWZBPFVGHRJ-UHFFFAOYSA-N 307.781 3.237 0 40 DGAB CC(C)Cc1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123243 CIBAGIIQPDZKKU-CQSZACIVSA-N 305.422 3.164 0 40 DGAB CCN(CC)CCC[C@@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219100 IBKWXUJBWVTAIY-HUUCEWRRSA-N 300.487 3.064 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 42646699 QVXUSQFRHFBGDE-XJKSGUPXSA-N 302.418 3.443 0 40 DGAB COC(=O)c1ccc(CNC2(c3nccs3)CCCC2)o1 81577833 KWYJAMJTBOMQNL-UHFFFAOYSA-N 306.387 3.082 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C 230074700 PAPAFNJUWDWHQR-NDGTYSDOSA-N 314.385 3.282 0 40 DGAB CSCc1ccc(Cl)c(NC(=O)NCC2(CO)CC2)c1 95405979 SOUWSIFVLWBRNX-UHFFFAOYSA-N 314.838 3.097 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nc(-c2ccncc2)no1 98212712 MGQNTIDCHJPOIV-LBPRGKRZSA-N 316.361 3.204 0 40 DGAB Cc1cnc(CNc2cccc(S(=O)(=O)C3CCCC3)c2)o1 96476032 IZHCVAOLMRHNCE-UHFFFAOYSA-N 320.414 3.311 0 40 DGAB Cc1cnc([C@H](NC(=O)c2ccc(C(=O)O)cc2)C2CC2)s1 96479865 CKXKTZJSIPPBQP-CYBMUJFWSA-N 316.382 3.031 0 40 DGAB CC(C)(C)NS(=O)(=O)c1ccccc1-c1ccc(C=O)cc1 95642817 XONKDEIZWYZWON-UHFFFAOYSA-N 317.410 3.243 0 40 DGAB CC[C@@H]([C@H](N)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96524972 XEEZPNJADUHREE-NWDGAFQWSA-N 310.246 3.207 0 40 DGAB C[C@@H](SCCn1cccn1)c1nc(-c2ccccc2)no1 96475885 NVLRFQILEVZJHR-GFCCVEGCSA-N 300.387 3.428 0 40 DGAB Nc1nccnc1C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1 333734215 KKUVJJONLBXFPZ-MRXNPFEDSA-N 322.412 3.206 0 40 DGAB c1cncc(CN2CCC3(CC2)C[C@@H](c2cccnc2)CO3)c1 96220297 WMLXJARNVGMSQI-GOSISDBHSA-N 309.413 3.015 0 40 DGAB O[C@@H](CN(Cc1ccccc1)c1ncccn1)c1cccs1 96483173 KGFGCWIBPDRSCE-HNNXBMFYSA-N 311.410 3.278 0 40 DGAB C1CCC(O[C@@H]2CCCC[C@@H]2N2CCN[C@H]3CCCC[C@H]32)C1 242400241 ARUFQWJKFOKKNK-ZSYWTGECSA-N 306.494 3.473 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CN2CCC(O)CC2)cc1 257280222 OJZJEZWZNQOLNF-UHFFFAOYSA-N 311.381 3.009 0 40 DGAB COc1ccc(-c2nccc(N(C)C[C@@H]3CCCOC3)n2)cc1 585097968 DJLOGKBRFXNQBV-AWEZNQCLSA-N 313.401 3.015 0 40 DGAB Cc1c[nH]c([C@@H]2CN(C(=O)c3csc(C(C)C)c3)CCO2)n1 257239940 HRLGOMIXCKQYKT-ZDUSSCGKSA-N 319.430 3.117 0 40 DGAB c1cnc(C[C@@H]2CC3(CCN(C4CCCCC4)CC3)CO2)cn1 257315121 UZZIIDMMLYOOEH-GOSISDBHSA-N 315.461 3.223 0 40 DGAB CO[C@H]1C[C@@H]2CN(C(=O)c3cc(C4CCCCC4)no3)C[C@@H]2C1 257239733 HQOWSKQBSIWPOS-FICVDOATSA-N 318.417 3.219 0 40 DGAB Cc1c[nH]c([C@H]2COCCN2Cc2ccc(F)cc2Cl)n1 257220811 DMGDSQIGKCVHFC-CQSZACIVSA-N 309.772 3.084 0 40 DGAB CCn1nncc1C(=O)N1CCCC[C@@H]1c1cccc(Cl)c1 646071531 LUDOFUSZVIKGJH-CQSZACIVSA-N 318.808 3.319 0 40 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313.382 3.286 0 40 DGAB CCC(=O)Nc1ccc(-c2csc(NCCOC)n2)cc1 3430732 RMFHVPPEQKSPET-UHFFFAOYSA-N 305.403 3.217 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)CCc1ccc(F)cc1 13391490 WHGRVIOGXLTSEM-UHFFFAOYSA-N 301.317 3.404 0 40 DGAB O=C1N=C(Nc2ccccn2)S[C@H]1Cc1ccc(Cl)cc1 13425362 FNQSFQDQLXDDNB-LBPRGKRZSA-N 317.801 3.388 0 40 DGAB COc1ccccc1[C@@H]1CCCN1C(=O)CCc1ccccn1 68804873 HSYFTZFNKSHWRN-KRWDZBQOSA-N 310.397 3.387 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@H]1CCCc2ccccc21 8281468 WQJWFZPBLNFOTA-HNNXBMFYSA-N 311.410 3.132 0 40 DGAB c1ccc2c(c1)OC[C@H](CSc1nnc(NC3CC3)s1)O2 8249467 PLEPJIHYJYAMCL-SNVBAGLBSA-N 321.427 3.045 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 14358602 LBXIJQOKZRDJRK-BETUJISGSA-N 320.458 3.242 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCCO1 6759061 ZPNCROQYGHGLSR-ZDUSSCGKSA-N 302.399 3.027 0 40 DGAB COc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C)O[C@@H](C)C2 15250779 OCLBNEDXVITZEO-VOJFVSQTSA-N 324.380 3.215 0 40 DGAB NC(=O)c1cc(-c2csc(NC3CCCCC3)n2)ccc1O 15480018 XAKCUGGWFDAGAK-UHFFFAOYSA-N 317.414 3.359 0 40 DGAB CNC(=O)c1ccc(CN(C)C(=O)C[C@H]2CCC[C@H](C)C2)cc1 69982994 BLBMIHQPJITENB-HOCLYGCPSA-N 316.445 3.221 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1csc(C(C)C)n1 69927168 ZHSLUELSYYYNBR-CVEARBPZSA-N 321.490 3.242 0 40 DGAB O=C(Nc1nc(CN2CCCC2)cs1)NC1CCCCC1 8771038 KGJKIOWHWUKAQO-UHFFFAOYSA-N 308.451 3.193 0 40 DGAB O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CCCO1 71069910 ACJWBRYRSJCDBO-SNVBAGLBSA-N 323.698 3.399 0 40 DGAB C[C@H](c1cccc(O)c1)N(C)CC[S@@](=O)c1ccccc1 71897189 UCENPSQVECHKLL-SZNDQCEHSA-N 303.427 3.193 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CC[C@@H](C)C[C@@H]1c1ccco1 76090250 FKBXYMHLIDFOPB-BXUZGUMPSA-N 316.405 3.031 0 40 DGAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCC[C@H](O)C1 72294270 RBSBLAWMXUTJCK-KRWDZBQOSA-N 317.433 3.056 0 40 DGAB Cc1cnc(C[S@@](=O)Cc2cccc(Br)c2)o1 97047731 ZCOYNWLIBOLKNN-QGZVFWFLSA-N 314.204 3.194 0 40 DGAB COc1ccc([S@](=O)[C@H](C)c2nc(C(C)(C)C)no2)cc1 97001662 WBAWLCZJJVFRJP-UZJPJQLHSA-N 308.403 3.245 0 40 DGAB CC(C)c1nn(C)cc1CNC[C@@H](O)c1ccc(Cl)cc1 97159041 KENDUAXKCVPNIW-OAHLLOKOSA-N 307.825 3.020 0 40 DGAB CCCC(=O)Nc1ccc(CSc2nc(CC)n[nH]2)cc1 20611419 PHLHAFYNWBDDOD-UHFFFAOYSA-N 304.419 3.398 0 40 DGAB O=C(c1ccc(NCc2ccco2)nc1)N1CCc2ccccc21 79029327 UWDLPJOCJNFOGX-UHFFFAOYSA-N 319.364 3.490 0 40 DGAB CCCOc1ccc(CN[C@H](C)CN2CCCCC2)cc1OC 97287736 XBHJLWWYSJYXKX-MRXNPFEDSA-N 320.477 3.448 0 40 DGAB CC(C)(C)CC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 79095388 JSUOPYRAOQKHFS-UHFFFAOYSA-N 317.433 3.151 0 40 DGAB Clc1ccc(-n2cc(CSc3nncs3)nn2)cc1 84421973 GPBBSWVOTBWXFB-UHFFFAOYSA-N 309.807 3.065 0 40 DGAB O=c1[nH]c(Cc2c[nH]c3ncccc23)nc2ccc(Cl)cc12 84445848 ZKYXEISTOQKMRT-UHFFFAOYSA-N 310.744 3.044 0 40 DGAB CCOc1ccc(/C=C/C(=O)N2CCc3ccncc32)cc1OC 95467846 DVCYDFHTSHXJPM-FNORWQNLSA-N 324.380 3.091 0 40 DGAB COCCc1cc(NC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)n(C)n1 95439961 QWFUSKHPIJTQLA-RBSFLKMASA-N 319.449 3.154 0 40 DGAB CCSc1cccc(NC(=O)N[C@@H](C)c2cnn(C)c2)c1 95403944 ZLEIJJUMVWVVHU-NSHDSACASA-N 304.419 3.415 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)N2C[C@H](C)CC[C@@H]2C)cc1 74090199 HHMYHXDEQPRIIV-KGLIPLIRSA-N 317.433 3.018 0 40 DGAB CCOC[C@@H]1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 95980876 YHNPYLGPZNAWJK-CXAGYDPISA-N 320.408 3.271 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@@H]1OCC[C@@H]1C 95971495 HYXRWUMLLLYDMD-GXFFZTMASA-N 317.307 3.016 0 40 DGAB Cc1nc2cc(C(=O)N3c4ccccc4C[C@@H]3C)ccc2n1C 74957548 JTPOEDVSFWJDTF-LBPRGKRZSA-N 305.381 3.473 0 40 DGAB COc1ccc(NC(C)=O)cc1NCc1ncc(C(C)C)o1 75093230 VJXSAVOZEJOFMZ-UHFFFAOYSA-N 303.362 3.377 0 40 DGAB C[C@@H](SCc1ccc(Br)s1)C(=O)N(C)C 126496171 CDDUQUCCMKPALI-SSDOTTSWSA-N 308.266 3.221 0 40 DGAB C[C@@H]1CN(C(=O)c2ccccc2Nc2ccccc2)C[C@H]1CCN 1522596010 AQFMJWTWHPRBEZ-HZPDHXFCSA-N 323.440 3.487 0 40 DGAB CCCCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 72216187 MLQDVTBPJOGIEO-KRWDZBQOSA-N 303.450 3.245 0 40 DGAB O=C(O)c1cc(O)n(-c2ccccc2Sc2ccccc2)n1 217711191 HHHVCPJBHIRVAP-UHFFFAOYSA-N 312.350 3.427 0 40 DGAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCCN1C=O 72214531 PPXPVCQFVOPFKS-CQSZACIVSA-N 319.405 3.136 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N(C)[C@@H]2CCc3ccccc32)cc1 32905304 BKMWUDLRJSVLRU-LJQANCHMSA-N 322.408 3.333 0 40 DGAB COc1ccc(-c2ccc(S(=O)(=O)NCC(C)C)cc2)cc1 72414504 BIBGXTIAPFJGED-UHFFFAOYSA-N 319.426 3.297 0 40 DGAB Cc1nnc(NC(=O)Cc2c[nH]c3cc(Cl)ccc23)s1 31812967 AYROUANXMIVMMI-UHFFFAOYSA-N 306.778 3.162 0 40 DGAB C[C@H](CN(C)[C@@H](C(=O)O)c1ccc(F)cc1)c1nccs1 567595878 RAIOMJKQAIKTKV-ZWNOBZJWSA-N 308.378 3.143 0 40 DGAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1 225885648 CGFKWZHYHNRSSV-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NCC(C)C)n1 225892733 NREYYQXZSNREEQ-ZDUSSCGKSA-N 321.494 3.106 0 40 DGAB CCc1cnc(CCNC(=O)c2cc3ccccc3o2)s1 81203858 IXMGNOPAKDBPDC-UHFFFAOYSA-N 300.383 3.424 0 40 DGAB COCO[C@@H]1CCCN(c2ccccc2[C@@H](N)CC(C)C)C1 504544568 HVWGQJMMDGGTPN-WBVHZDCISA-N 306.450 3.322 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC(C)C 222654246 AGRGJWWBDIMFMI-MRXNPFEDSA-N 322.424 3.258 0 40 DGAB COc1cc(C(=O)O)cc(CSC)c1OC(=O)C(C)(C)C 226288564 MIRZGRKJPCUABV-UHFFFAOYSA-N 312.387 3.208 0 40 DGAB CCO[C@H](C)c1noc(C2=Cc3cc(OC)ccc3OC2)n1 84800601 HDCHBPOVSKNQBQ-SNVBAGLBSA-N 302.330 3.109 0 40 DGAB CC[C@@H](C(=O)N1CCC[C@@H](COC)C1)c1ccc(OC)cc1 96492903 AQYFXRPHXFRMDI-RHSMWYFYSA-N 305.418 3.074 0 40 DGAB N[C@@H](c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 95533263 FSRMXXAQZRNMMM-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB C[C@@](Cl)([C@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96520322 BODDZXVFWWOILP-ZJUUUORDSA-N 317.621 3.026 0 40 DGAB CCc1nc(C)sc1C(=O)N1CCO[C@@H](c2ccccc2)C1 96223965 ZZYYGJQRAGANEV-OAHLLOKOSA-N 316.426 3.228 0 40 DGAB C[C@H]1CC[C@@H]1COc1ccc(I)cn1 96526326 GACFBUZVPLDDIU-DTWKUNHWSA-N 303.143 3.111 0 40 DGAB CC[C@@H](C(=O)Nc1cnn(C2CCOCC2)c1)c1ccccc1 96104590 HXFRECHDFOGLSN-QGZVFWFLSA-N 313.401 3.367 0 40 DGAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C 245228425 XFAYCURSJBVIJG-HLLGDPNASA-N 321.442 3.388 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@H]1N3C(=O)C(C)C)O2 248333361 JXZYYFPMWQQSMX-XVSDVWIESA-N 313.397 3.118 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 250753502 HLGFQGMPMNRGQT-KCQAQPDRSA-N 318.442 3.042 0 40 DGAB CN1C(=O)N(Cc2ccncc2)[C@H]2CC[C@@H](c3ccccc3)[C@H]21 257280637 OLRCIMPMDREQGP-OKZBNKHCSA-N 307.397 3.264 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253596218 ONVVZSHYQMOXLN-ZAHQOMBBSA-N 304.430 3.138 0 40 DGAB CCc1nc(C)c(CN2CCC[C@@H](c3ccnc(NC)c3)C2)[nH]1 257329398 XJVHALPHGWBKLC-OAHLLOKOSA-N 313.449 3.097 0 40 DGAB COc1ncc(NC(=O)Nc2ccc3ccccc3c2)c(OC)n1 96098719 IYDVIDADVOMIMK-UHFFFAOYSA-N 324.340 3.291 0 40 DGAB O=C(/C=C/c1ccco1)NCCn1ccc(-c2cccs2)n1 96103805 ZDRVBOMKGFJRED-AATRIKPKSA-N 313.382 3.034 0 40 DGAB C/C(=C\C(=O)N[C@@H](C)c1nnc2ccccn12)c1ccc(F)cc1 96256208 STUWVICOIZBNQB-YLSINNKHSA-N 324.359 3.149 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)cc1F 97142976 SNANEXYXEXMQHC-NUTKFTJISA-N 320.408 3.452 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N[C@H]1CCC12CCOCC2 585408757 NHVGKOSQNGLTGC-AWEZNQCLSA-N 311.784 3.097 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc(Cl)nc1 5127076 VRUNMAXARPEKOE-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1nc(CSc2nc(NC3CC3)c3ccccc3n2)no1 31785333 NSSDIDXVCCKVLK-UHFFFAOYSA-N 313.386 3.188 0 40 DGAB COc1cccc(C(=O)Nc2ccc(N)cc2Br)c1 36738574 OJRJQXHASUYZSA-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(CC(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061556 FGFOJTBTHLKZBX-UHFFFAOYSA-N 322.408 3.354 0 40 DGAB O=C(Cc1cc(-c2ccc(Cl)cc2)on1)NCc1ccco1 12422181 NUCURSOSBOBYBZ-UHFFFAOYSA-N 316.744 3.447 0 40 DGAB CSc1ncccc1C(=O)N1CCO[C@@H](c2ccccc2)C1 27908922 KLQLAPUKZMMMBF-OAHLLOKOSA-N 314.410 3.017 0 40 DGAB COc1cccc2s/c(=N/C(=O)c3cccc(C)c3)n(C)c12 100843340 BQRBYLDONPUFCM-ISLYRVAYSA-N 312.394 3.298 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 208002107 HQBHCQABBJUCNA-OAHLLOKOSA-N 321.392 3.264 0 40 DGAB COc1ccc(CC(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1F 40108243 DBYZESNKUFUAQJ-CZUORRHYSA-N 323.408 3.088 0 40 DGAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 565630 BRNGYCMPYHNLNG-OAHLLOKOSA-N 314.410 3.490 0 40 DGAB COc1ccc2nc3c(cc2c1)c(NC(C)=O)nn3CC(C)C 2404802 WIFSTBPEGOMXST-UHFFFAOYSA-N 312.373 3.208 0 40 DGAB CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1NS(=O)(=O)c1ccc(F)cc1 4343323 PBMVETGVYGTZMP-SGIREYDYSA-N 311.422 3.319 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2cccs2)c1 241585 IEJUHGCAGSFGQE-CQSZACIVSA-N 314.410 3.300 0 40 DGAB C[C@@H](NC(=O)COc1cccc2cccnc12)c1ccccc1 6127990 JWBSGXGYGUFKTB-CQSZACIVSA-N 306.365 3.491 0 40 DGAB CC(C)CC(=O)NC(=S)Nc1cccc2cc(O)ccc12 6708211 DKLQPPYBEWWVNJ-UHFFFAOYSA-N 302.399 3.405 0 40 DGAB Cc1cc(C(=O)NC(C)C)c2c(C)nn(-c3ccccc3)c2n1 6772724 XHRWODOGPMQPOK-UHFFFAOYSA-N 308.385 3.176 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccs1)CC(O)=N2 20744911 XOZSIAJCUGYVFU-JTQLQIEISA-N 311.370 3.156 0 40 DGAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NCc1ccco1 32876617 HWNGMDZHDOHALW-UHFFFAOYSA-N 314.316 3.323 0 40 DGAB O=C1C[C@H](c2ccccc2)N(Cc2ccc(Cl)s2)CCN1 52834493 YKWRYOKBYTVRPC-CQSZACIVSA-N 320.845 3.465 0 40 DGAB CN(C)Cc1ccc(NC(=O)Cc2noc3ccccc23)cc1 29952526 NLCQPYZJPCOILK-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 100849936 BJQYFVJUJMCXFN-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB CCn1nc(C)c2c(C(=O)O)cc(-c3cccc(OC)c3)nc21 12394557 SJHYAHQOSOBEOH-UHFFFAOYSA-N 311.341 3.133 0 40 DGAB Cc1cnc2c(S(=O)(=O)NC3CCCCC3)cccc2c1 12522559 CDYYHVJOCCZNSR-UHFFFAOYSA-N 304.415 3.154 0 40 DGAB CC(C)(CC(=O)O)CC(=O)N[C@H](c1ccccc1)c1ccco1 54500366 AKVVKQMTPQWXQV-QGZVFWFLSA-N 315.369 3.376 0 40 DGAB CN1c2ccccc2C(=O)N[C@@H]1c1csc(-c2ccccn2)n1 54680863 IBNBWIGPKNUSGQ-HNNXBMFYSA-N 322.393 3.084 0 40 DGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)c1ccoc1 24080569 AOVWHTRWWACQIP-UHFFFAOYSA-N 307.733 3.024 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 24237214 GDUPTCOMUJHGER-LLVKDONJSA-N 314.410 3.466 0 40 DGAB COC(=O)C[C@H](NC(=O)/C=C/c1ccccc1)c1cccs1 24987283 DGPBRCJFMIWMKW-HBWSCVEGSA-N 315.394 3.182 0 40 DGAB CC(C)n1cc(C(=O)O)c(=O)c2cc(Br)ccc21 20131719 UKBFOGXGHQIIAM-UHFFFAOYSA-N 310.147 3.043 0 40 DGAB Cc1ccsc1CNC(=O)c1ccc(Br)o1 25678659 MLHOFKOXFCEVBO-UHFFFAOYSA-N 300.177 3.342 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)NC2CCCCCC2)c1 43992951 SHRHHEBXTMMQCU-UHFFFAOYSA-N 303.406 3.233 0 40 DGAB C[C@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCCO1 48139127 LMSXBCCWUUAMQH-BLLLJJGKSA-N 321.396 3.115 0 40 DGAB CCC(CC)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 58183612 XMSLJQQVUYXUJI-CQSZACIVSA-N 304.434 3.074 0 40 DGAB CCOCCCCNC(=O)NC[C@H](Nc1ccccc1)C(C)C 58155775 VVYDHWCNUBRQFM-KRWDZBQOSA-N 321.465 3.239 0 40 DGAB CCOC(=O)Cc1cc(=O)oc2cc3c(cc12)CCC(C)(C)O3 2133672 YKYOETIMUPIHCT-UHFFFAOYSA-N 316.353 3.002 0 40 DGAB biogenic O=C(COC(=O)c1ccc2c(c1)OCO2)c1ccc(Cl)cc1 3343798 FFFMCRUUIMBGFR-UHFFFAOYSA-N 318.712 3.108 0 40 DGAB O=C(CCCc1ccccc1)Nc1ccn(Cc2ccccn2)n1 58282739 WNJDWLGEFDAFAW-UHFFFAOYSA-N 320.396 3.288 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)Nc3cc(C)on3)C2)cc1 58218660 YXVAYJZDEZJTMD-ZDUSSCGKSA-N 301.346 3.013 0 40 DGAB CCCNC(=O)c1ccc(OCc2cn3cccc(C)c3n2)cc1 10356059 QRAUHMWCZQRCSS-UHFFFAOYSA-N 323.396 3.362 0 40 DGAB COc1ccc(C(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 12740308 VYZSKMOIWLCPGY-UHFFFAOYSA-N 323.392 3.430 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccccc2C)cc1OC 12771598 FULVIBGLXALZDE-AWEZNQCLSA-N 313.397 3.432 0 40 DGAB Cc1ccc([C@H]2CCCN2Cn2ncc3ccccc3c2=O)cc1 12885521 DLZCZMDMJORASS-LJQANCHMSA-N 319.408 3.500 0 40 DGAB CC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(C)cc1 12997155 KQJXFTISAYHCIQ-HNNXBMFYSA-N 324.380 3.207 0 40 DGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(O)cc1 5060713 LIWFMAMYJVQUKN-UHFFFAOYSA-N 314.381 3.335 0 40 DGAB CCn1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)cn1 69518779 SPZDLELWNLDBSR-UHFFFAOYSA-N 322.368 3.129 0 40 DGAB Cc1cccc(C[S@](=O)CC(=O)Nc2c(C)cccc2C)c1 66296758 YZQWSLYWFXIZHT-JOCHJYFZSA-N 315.438 3.499 0 40 DGAB C[C@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 14898277 PMOUHFYLLPSJKD-WMLDXEAASA-N 322.408 3.455 0 40 DGAB O=C(c1csc2c1CCCC2)N1CCC[C@@H](n2ccnc2)C1 69656689 KDSSHWFQNMGJFC-CYBMUJFWSA-N 315.442 3.301 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H]3c3cnn(C)c3)c12 69625771 KOJAXIYHMIGKPO-KRWDZBQOSA-N 322.412 3.116 0 40 DGAB CC[C@@](NCc1nc2ccccc2o1)(C(=O)OC)c1ccccc1 69701375 YPUZNCNEEBRYAI-IBGZPJMESA-N 324.380 3.396 0 40 DGAB CCc1ccccc1NC(=O)c1cncc(-c2cnn(C)c2)c1 69769844 NRKYKDHBFWYGRE-UHFFFAOYSA-N 306.369 3.297 0 40 DGAB Cc1nc(COC(=O)CCSc2ccc(C)c(C)c2)no1 69816754 HGWVCTJOBMLCJS-UHFFFAOYSA-N 306.387 3.220 0 40 DGAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@H]1Cc1ccccc1 69899947 YKVPDYIYBWXHQA-PKOBYXMFSA-N 307.393 3.224 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1csc(C)n1 15832266 ROGFAXURIGPJDW-CQSZACIVSA-N 308.378 3.064 0 40 DGAB CCN1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC1 69895083 OQIMNEAROIZQDF-UHFFFAOYSA-N 318.314 3.012 0 40 DGAB COc1ccc(OC)c(C(=O)NCc2cccc(Cl)c2)c1 7525174 QBKPVCMCCJAXJV-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CS(=O)(=O)CCN1CCC[C@H]1c1cccc2ccccc12 71824914 JRZCZOGNJRLLJB-KRWDZBQOSA-N 303.427 3.021 0 40 DGAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccccc2F)CC1 9305321 VKRXDSOBYYKSPX-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 9360319 TUSGHQTZYMNUON-BRWVUGGUSA-N 318.804 3.016 0 40 DGAB COc1ccc(-c2cc(O)n3nc(-c4ccccc4)nc3n2)cc1 9419548 YZUKJLOFJOCJFW-UHFFFAOYSA-N 318.336 3.173 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)cnn1-c1ccccn1 19910975 HTIHOHCFCQKMMN-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB COC(=O)CSCc1cccc(NC(=O)NC2CCCC2)c1 71799229 UIJNSKJJXPPMER-UHFFFAOYSA-N 322.430 3.157 0 40 DGAB COc1ccc(NC(=O)NC[C@](C)(O)c2ccsc2)cc1C 72294198 GTSHIFZICGDAMB-INIZCTEOSA-N 320.414 3.094 0 40 DGAB CSC[C@H](C)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 72288002 HOGKTBOMIWSJJH-QPUJVOFHSA-N 322.257 3.142 0 40 DGAB Cc1cccc(OC[C@H](C)NC(=O)N[C@@H](C)c2nccs2)c1 72268152 KUXVSRZASZVICO-STQMWFEESA-N 319.430 3.279 0 40 DGAB Cc1nc([C@H](C)NC(=O)N2CCS[C@H](C(C)C)C2)cs1 76086121 XFKJRMZJFYMXDX-GWCFXTLKSA-N 313.492 3.296 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@H]2CCCCO2)c(C)c1 97056525 WURDGYXGHGAQQF-CQSZACIVSA-N 306.406 3.474 0 40 DGAB COc1cc(N)c(Cl)cc1C(=O)N(C)c1ccc(F)cc1 97019796 SEYPNLXEYNDVTJ-UHFFFAOYSA-N 308.740 3.347 0 40 DGAB CC(C)c1nn(C)cc1CNC[C@@H](O)c1cccc(Cl)c1 97159580 YVFTURIKJZDYEC-OAHLLOKOSA-N 307.825 3.020 0 40 DGAB COC(=O)Cc1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1 95418866 OHXAFNRRMZGSGP-ZDUSSCGKSA-N 312.369 3.285 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc2nn[nH]c2c1 95434486 WTFYZYZNHQULBO-VIFPVBQESA-N 301.375 3.244 0 40 DGAB C[C@H]1c2ccc(F)cc2CCN1C(=O)COc1ccccc1O 95430585 VECDXRJQDKNOEX-LBPRGKRZSA-N 315.344 3.056 0 40 DGAB COc1cccc(Br)c1OC(=O)c1ccncc1 89471453 GRJDSEGJOIKVJF-UHFFFAOYSA-N 308.131 3.072 0 40 DGAB CCn1cc(-c2nnc(SCc3cccc(C)c3)n2C)cn1 36631387 NEWLNYNRTSJRGA-UHFFFAOYSA-N 313.430 3.299 0 40 DGAB O=C(c1cncs1)N1CC[C@H](Cc2ccc3ncccc3c2)C1 72368464 MWBCGSQMFLBERA-CQSZACIVSA-N 323.421 3.396 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1nnc([C@H]2CCCO2)s1 36354242 LZBZXWYRJWKYGU-IDVQTMNDSA-N 301.371 3.042 0 40 DGAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1cccc(F)c1 32691342 IPYNCSROMLCNPB-INIZCTEOSA-N 315.344 3.213 0 40 DGAB CC(=O)N[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 79044366 PVSBTHGZEFTDGA-SCLBCKFNSA-N 310.397 3.028 0 40 DGAB Cc1ccc(-c2[nH]ncc2C(=O)NCCc2cccs2)cc1 72328952 KRRSVAXKGFTMKC-UHFFFAOYSA-N 311.410 3.419 0 40 DGAB Cc1ncsc1CNC(=O)N[C@@H](Cc1ccccc1)C1CC1 76971582 KKUVORRDTAIAEQ-HNNXBMFYSA-N 315.442 3.272 0 40 DGAB O=C(CCc1nc2ccccc2o1)NCCOCc1ccccc1 224948568 XYECFFRMEMIJMZ-UHFFFAOYSA-N 324.380 3.093 0 40 DGAB O=C(Cc1cccc(Br)c1)NCc1ccc(F)cc1 225617583 GQUQIBLXNLLZGS-UHFFFAOYSA-N 322.177 3.447 0 40 DGAB CC(C)OCCCNC(=O)c1ccc2c(c1)OCC(C)(C)CO2 225361825 RIHYRERVXFSHRJ-UHFFFAOYSA-N 321.417 3.029 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C)N21 222704202 JFDTUXYKYFEBFE-DAXOMENPSA-N 312.442 3.400 0 40 DGAB CCCc1ccc(OCCNC(=O)c2ccc(OC)cc2)cc1 223369637 WLKINMTUWQEWHR-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB Cc1cccc([C@H](C)[S@@](=O)CC(=O)N2CCCCCC2)c1 96448147 BLKUTLMLBVEBMO-YCRPNKLZSA-N 307.459 3.207 0 40 DGAB C[C@@H](Nc1cnn(C[C@H]2CCCO2)c1)c1nc2ccccc2o1 97377297 TUVPWUZBKOHXKN-TZMCWYRMSA-N 312.373 3.376 0 40 DGAB O=C1[C@H](Sc2nc3ccc(Cl)cc3[nH]2)CCN1C1CC1 96452630 IKHHPYXUTVSECH-GFCCVEGCSA-N 307.806 3.072 0 40 DGAB COC[C@@H]1CC2(CCN(Cc3ccsc3)CC2)CN1C(C)C 96051749 DENOZJRDJKOOKS-KRWDZBQOSA-N 322.518 3.459 0 40 DGAB CCc1cc(C(=O)O[C@H](C)c2ccc(OC)c(F)c2)cc(=O)[nH]1 97374886 OEHCNJWJCCWMFO-SNVBAGLBSA-N 319.332 3.003 0 40 DGAB Cc1ncsc1-c1cc(C(=O)N2CCC(F)(F)CC2)ccn1 257296143 RBKVSUYIPYAVAQ-UHFFFAOYSA-N 323.368 3.385 0 40 DGAB COCCCCC(=O)Nc1cncc(-c2c[nH]c3nccc-3c2)c1 585125947 JGNKMTXBNYWUTL-UHFFFAOYSA-N 324.384 3.332 0 40 DGAB Cc1ccc(CN2CCCC[C@@H]2c2ccnc(N(C)C)n2)o1 257292118 QKCCCFCZXVWHHT-MRXNPFEDSA-N 300.406 3.171 0 40 DGAB O=C(Cc1ccc(F)cc1)N1CCC(Cc2ccncc2)CC1 257315590 VCBOUKCMDPTBHS-UHFFFAOYSA-N 312.388 3.245 0 40 DGAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NC(C)(C)C)n1 260735402 HJDVJDLFOLMHLS-GFCCVEGCSA-N 321.494 3.249 0 40 DGAB O=C1Nc2ccccc2/C1=C\c1cccc(N2CCOCC2)c1 725239945 LHUDYYORJDNCGJ-GHRIWEEISA-N 306.365 3.016 0 40 DGAB Nc1cc(N)nc(SCc2csc(C3CCCCC3)n2)n1 42151917 NFRRJLJVBCUKNN-UHFFFAOYSA-N 321.475 3.438 0 40 DGAB CC(=O)c1ccc(OCc2ccc(F)cc2)c2[nH]c(=O)ccc12 71788947 KVXMJXKHMGIHEQ-UHFFFAOYSA-N 311.312 3.449 0 40 DGAB in-vitro C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl 95422823 NVMCDAQICBYVJN-NXEZZACHSA-N 301.217 3.265 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2)c2cnn(C(C)C)c2n1 11543959 KHYROOSDRSWIHM-UHFFFAOYSA-N 308.385 3.251 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1C 13011223 ZCAIOTBRJGRGNR-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB CCN(CC)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 13988261 BSYLFBACLXCOIX-UHFFFAOYSA-N 307.463 3.392 0 40 DGAB O=C(NCCCN1CCc2ccccc2C1)c1ccc(F)cc1 29838448 FFYLQEBZBNRSAS-UHFFFAOYSA-N 312.388 3.004 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 100050420 RWMYBCJSDRVINF-AHCXZYCDSA-N 323.392 3.343 0 40 DGAB CCOC(=O)c1sc(=S)n(-c2ccc(F)c(F)c2)c1N 425199 GELYKZTYOOUMAT-UHFFFAOYSA-N 316.354 3.305 0 40 DGAB aggregator Cc1c(C(=O)C(=O)N2C[C@@H](C)C[C@H](C)C2)c2ccccc2n1C 4062418 QCDGFBPOSKFWNA-STQMWFEESA-N 312.413 3.174 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC2CCCCCC2)cc1Cl 5251462 SVJBLFMVEBWVER-UHFFFAOYSA-N 308.809 3.426 0 40 DGAB CC[C@H](C)NS(=O)(=O)c1cc(C)c(Br)cc1C 11614032 YDDQDHGMDCNSET-JTQLQIEISA-N 320.252 3.143 0 40 DGAB CCCCN(CCCC)C(=O)CCNC(=O)c1ccccc1 10463340 PYLWSCZCHFAJEI-UHFFFAOYSA-N 304.434 3.235 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)c1 13576046 NNWAUPCODMBQQE-HNNXBMFYSA-N 312.394 3.001 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)C2[C@@H]3CCC[C@@H]23)n1 102680710 HKPWJGQZNDUFKT-HZPDHXFCSA-N 309.413 3.151 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc(Cl)c2)n1 40121504 CIBXXMPKQKXLEG-LLVKDONJSA-N 305.809 3.219 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N1CC[C@H]2CCCC[C@@H]2C1 7985344 WAXBPJICBKWXDE-HZPDHXFCSA-N 315.413 3.039 0 40 DGAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)cc1 50767580 YLHDYOYXCVSYQE-WMZOPIPTSA-N 311.429 3.234 0 40 DGAB COc1ccc([C@H](O)c2nc3ccccc3s2)cc1OC 1609986 JODCYEQPCARGDW-HNNXBMFYSA-N 301.367 3.395 0 40 DGAB O=C(NCc1cccs1)c1ccc(Cn2cc(Cl)cn2)o1 36624028 OWSPDMDZLHDKAH-UHFFFAOYSA-N 321.789 3.169 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)CCC(=O)N2 40553568 NDYWQCUNGQUKCC-SECBINFHSA-N 318.760 3.309 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)CCc2ccco2)cc1 2808176 MWFYFIPNEZOVNF-CQSZACIVSA-N 307.415 3.230 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1 29074722 AXQYPDYTOZNVHR-MRXNPFEDSA-N 320.396 3.269 0 40 DGAB Cc1ccc([C@@H]2NC(=S)NC3=C2CCC[C@@H]3CN(C)C)cc1 101375257 NRERSBYAYDKVRY-ZBFHGGJFSA-N 315.486 3.130 0 40 DGAB C[C@H](NC(=O)NCc1ccc(N2CCCC2)nc1)c1ccccc1 29328072 WGUNKTGGJQIWAW-HNNXBMFYSA-N 324.428 3.242 0 40 DGAB Cc1nc(/C=C/C(=O)Nc2ccccc2Cn2cccn2)cs1 32832885 AHALCBARMPVZDF-BQYQJAHWSA-N 324.409 3.348 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCCN2CCCCCC2)c1 10111314 SIUGWOKCXQVCDX-UHFFFAOYSA-N 318.461 3.065 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 101275264 FEHRGUBKLBCNEJ-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1C(=O)Cc1ccc(F)cc1 103375137 CBSKAEAQOGMACU-GOSISDBHSA-N 324.355 3.285 0 40 DGAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 101275391 UBCCZCZJQGTSST-INIZCTEOSA-N 324.380 3.056 0 40 DGAB Cc1ccc(OC[C@H](O)CNCCc2c[nH]c3ccccc23)cc1 89636934 GNAFJDPYGXBAQZ-QGZVFWFLSA-N 324.424 3.048 0 40 DGAB COc1ccc(Cl)c2c1N(C(=O)c1cc(C)on1)CCC2 76177993 UAAJRAQWOYFLJI-UHFFFAOYSA-N 306.749 3.238 0 40 DGAB CCOC(=O)C(C(=O)OCC)c1ccc(Cl)c(Cl)c1 12359182 GZSMDWSQPZMQDV-UHFFFAOYSA-N 305.157 3.203 0 40 DGAB O=C1N[C@@H](c2ccc(Cl)cc2)Nc2c1cnn2-c1ccccc1 20799548 UZAPMLBVXZNQKU-HNNXBMFYSA-N 324.771 3.380 0 40 DGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)NCCCCc1ccccc1 3096094 IXLNPBARHKASTP-CVEARBPZSA-N 303.402 3.017 0 40 DGAB Cc1cc(C)cc(C2(C(=O)Nc3cccc(C(N)=O)c3)CCC2)c1 55008417 NKRNRFCAYKGDTP-UHFFFAOYSA-N 322.408 3.463 0 40 DGAB O=C(NCc1ccccn1)N[C@H]1CCc2cc(Cl)ccc21 55089361 UGHBELWBFPVUOP-HNNXBMFYSA-N 301.777 3.222 0 40 DGAB O=C(CCCc1cccs1)Nc1ccc(-n2ccnc2)nc1 25008389 CBBPBLGBTFPJDN-UHFFFAOYSA-N 312.398 3.290 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25012603 IZKJYGMVICEKIG-ZWNOBZJWSA-N 309.793 3.420 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2nc(C3CC3)cs2)cc1 25563460 JJYXQGSLPXUDPR-UHFFFAOYSA-N 316.382 3.241 0 40 DGAB CCN(C(=O)Nc1c2c(nn1-c1ccccc1)CCC2)C1CC1 43853450 NXWLASGTGORRRV-UHFFFAOYSA-N 310.401 3.377 0 40 DGAB c1ccc2c(c1)ncn2-c1ccc(CNC[C@@H]2CCCO2)cc1 12567052 CWGSNRUSVRWCKV-KRWDZBQOSA-N 307.397 3.294 0 40 DGAB O=C(COc1ccc(Cl)cc1)NCCOCc1ccccc1 177071046 BPTGMDGYDUXTLV-UHFFFAOYSA-N 319.788 3.052 0 40 DGAB CCN(C(=O)N[C@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 57391639 MDHMDHXSXYNEEZ-KRWDZBQOSA-N 316.401 3.103 0 40 DGAB Cc1ccsc1/C=C/C(=O)NCCOc1cccc(F)c1 27713734 FYRXSJZLSLCQPR-AATRIKPKSA-N 305.374 3.404 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2sc(C)nc2C)cc1F 44870330 MAPYEOZNWSGHMK-QMMMGPOBSA-N 308.378 3.399 0 40 DGAB Cc1cc(-c2nnc(SCC(=O)c3ccc(F)cc3)o2)no1 2196118 ICMYBIOHMQHIJQ-UHFFFAOYSA-N 319.317 3.147 0 40 DGAB Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@H](C)CO)c1 76018213 ZKESURXVMPHYOD-SECBINFHSA-N 322.352 3.152 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CC2(Cl)Cl)o1 76067499 OPEAJOOMZDLFMA-NXEZZACHSA-N 320.241 3.398 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1nnc([C@@H]2CCCO2)s1 36354241 LZBZXWYRJWKYGU-BCPZQOPPSA-N 301.371 3.042 0 40 DGAB Cc1oc(-c2ccsc2)nc1CC(=O)N1CCCSCC1 69452998 UMWUIDBEJCCOTL-UHFFFAOYSA-N 322.455 3.220 0 40 DGAB C[C@H](Cn1cccn1)NCc1csc(-c2cccs2)n1 69349853 QLJZFNLRLBPVOS-LLVKDONJSA-N 304.444 3.246 0 40 DGAB Cc1ccc(CN2CCSCC2)cc1NC(=O)C1CCC1 69351784 CDQAMGOUNIOUOK-UHFFFAOYSA-N 304.459 3.282 0 40 DGAB COc1ccc(CNC(=O)N[C@H](C)CCc2ccco2)cc1 12877486 OECONBZFZHDJLW-CYBMUJFWSA-N 302.374 3.109 0 40 DGAB Cc1ccccc1Nc1nc(N)nc(CN(C)c2ccccc2)n1 3491080 YYFSOEJVXMMFHA-UHFFFAOYSA-N 320.400 3.142 0 40 DGAB COc1ccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12917531 MIULUZPCVRUCGL-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB CCCCNC(=O)COc1ccc(Br)cc1Cl 8329217 GRXLMFBUXZVJRI-UHFFFAOYSA-N 320.614 3.398 0 40 DGAB O=C(N[C@@H](c1ccc(F)cc1)c1cccs1)c1cnccn1 8393216 QOWZIVXIIMXHDY-HNNXBMFYSA-N 313.357 3.197 0 40 DGAB COc1ccccc1C(C)(C)CNC(=O)c1c(C)noc1C 62928953 TULUWSDRPYTVHF-UHFFFAOYSA-N 302.374 3.008 0 40 DGAB CN(CCc1ccccn1)C(=O)c1cc(F)c(F)cc1Cl 13137799 MMVFAEBJECNNFW-UHFFFAOYSA-N 310.731 3.328 0 40 DGAB COCCN(Cc1ccco1)C(=O)CNc1ccccc1Cl 63644480 HRCHTMKXQZALJT-UHFFFAOYSA-N 322.792 3.020 0 40 DGAB CCc1ccc(NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 13598188 GPINHDPUWYUBFT-UHFFFAOYSA-N 312.398 3.228 0 40 DGAB CCN(CC)CCCNC(=O)c1c(-c2ccccc2)noc1C 4265244 KESYMZGQZNWVLV-UHFFFAOYSA-N 315.417 3.112 0 40 DGAB C[C@@H]1C[C@H](c2cccc(F)c2)N(C(=O)[C@@H](C)n2cccn2)C1 76041870 WGXCDPBUECEFJN-XJKCOSOUSA-N 301.365 3.193 0 40 DGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CC[C@@H](c2ccccc2)C1 69559648 SADBENMQUSDJBL-QUCCMNQESA-N 320.436 3.496 0 40 DGAB Cc1ccc(CNC(=O)N2CCC[C@H]2c2ccsc2)n1C 65446454 MHUAKJMKEPLPBJ-HNNXBMFYSA-N 303.431 3.442 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C(=O)c1cccc[n+]1[O-])C1CC1 65540038 XVUOTDXYPZCDFQ-GFCCVEGCSA-N 316.788 3.339 0 40 DGAB COc1ccc(-c2nc(/C=C/C(=O)N3CCCC3)cs2)cc1 14118343 RQBMWHJEFFHSAI-RMKNXTFCSA-N 314.410 3.454 0 40 DGAB COc1cccc(C(=O)Nc2nonc2-c2cccs2)c1 5487342 WKXFKNGPMNAKOV-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB O=C(NCCc1cccs1)c1ccccc1Br 14252737 FIBIDBJXSJYSID-UHFFFAOYSA-N 310.216 3.483 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)c3cc(C)sc3C)C2)c1 69665428 XQOLQZUGBOYYBI-CQSZACIVSA-N 303.431 3.347 0 40 DGAB C/C=C/C[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@H]1CC 14658461 XIHGDBYGUWEHCV-RPWOOGBSSA-N 324.461 3.499 0 40 DGAB COc1cc(C[C@H]2CC(c3ccccc3)=NO2)cc2c1OCO2 14988196 BCZYXNIUNNKABB-AWEZNQCLSA-N 311.337 3.160 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)C1(c2ccccc2)CC1 5934191 KLCBXXVFTZIZLF-UHFFFAOYSA-N 322.408 3.194 0 40 DGAB CNC(=O)c1ccc(Nc2ncnc3sc(C)c(C)c23)cc1 7271268 OWFNUORQWYDFAL-UHFFFAOYSA-N 312.398 3.411 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2ccc(F)cc21 71844039 PLILOBVWCMGKMB-DYVFJYSZSA-N 320.408 3.493 0 40 DGAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1nccs1 9690421 UTPWSCJPKAWWTG-UHFFFAOYSA-N 324.789 3.139 0 40 DGAB COc1ccc(CNC(=O)N[C@@H](c2ccccc2)C(C)C)cn1 9736623 BDZMEVKIDWRTOW-QGZVFWFLSA-N 313.401 3.287 0 40 DGAB CCOCCCNC(=O)/C=C/c1ccc(OC(C)C)c(OC)c1 23690312 MLKRRQTWSIOXPF-CSKARUKUSA-N 321.417 3.038 0 40 DGAB Cc1nc(N)c2c(n1)C[C@@H](c1ccc(C(C)(C)C)cc1)CC2=O 408712635 DDCLPCNMWANHLR-CYBMUJFWSA-N 309.413 3.577 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCc2[nH]c3ccccc3c2C1 9899891 RMZSGBVUWAUOBO-UHFFFAOYSA-N 316.364 3.243 0 40 DGAB biogenic Cn1cncc1CCNc1ncc(C(F)(F)F)cc1Cl 97108365 DRJOHMMGBMFKNJ-UHFFFAOYSA-N 304.703 3.142 0 40 DGAB O=C(c1cn(C2CCCCC2)nn1)N1CC[C@@H]2CCCC[C@H]21 97212596 CTBDXXXCXMCCEM-XJKSGUPXSA-N 302.422 3.188 0 40 DGAB COc1cc(-c2nc3ncc(Cl)cc3[nH]2)cc(OC)c1O 95442589 CXMZHVIVBIZTRK-UHFFFAOYSA-N 305.721 3.001 0 40 DGAB Cc1sc(CCNCc2cnn(C)c2)nc1-c1ccccc1 95413090 JNKQFJVKMATEAM-UHFFFAOYSA-N 312.442 3.184 0 40 DGAB c1cc(CSC2CCOCC2)cc(NCc2ncc[nH]2)c1 95429212 UDXVDXQJMUMRTD-UHFFFAOYSA-N 303.431 3.434 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc(C)cn2)cc1 95990501 MBWMICYTXCITSG-ZDUSSCGKSA-N 319.430 3.325 0 40 DGAB COC(=O)c1cc(C(C)C)ccc1NCc1nnc(C2CC2)o1 86204651 WHWOCKJCQPOIFL-UHFFFAOYSA-N 315.373 3.469 0 40 DGAB CCOC(=O)c1cc(C2CC2)c2c(C)c(Cl)c(F)cn2c1=O 34032671 CZWOEPIYDWRSSK-UHFFFAOYSA-N 323.751 3.455 0 40 DGAB Nc1[nH]nc(C(F)(F)F)c1-c1ccc(Br)cc1 36935527 PTBCEXUSJDUOPR-UHFFFAOYSA-N 306.085 3.440 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2nnsc2-c2ccccc2)C1 72239974 GRBRKXONVMWLJU-TXEJJXNPSA-N 301.415 3.323 0 40 DGAB Cc1ccnc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 39954093 MYHQPKWHDLMZJJ-CQSZACIVSA-N 306.406 3.416 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CNc1cccc(NS(C)(=O)=O)c1 187313170 UDBRROZCJBUMJS-CZUORRHYSA-N 308.447 3.462 0 40 DGAB CCCCc1nnc(NC(=O)c2noc3c2CCCCC3)s1 36357832 OCUMFNGFWZCVAG-UHFFFAOYSA-N 320.418 3.390 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1c(F)cccc1Cl 224293348 XESMDDHNEQEFJP-UHFFFAOYSA-N 322.771 3.204 0 40 DGAB CCc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 225718407 PISATKVTCXFSEZ-UHFFFAOYSA-N 306.365 3.203 0 40 DGAB CC(C)(C)CNC(=O)c1ccc(I)cc1 42397080 LCHDWKQIZDUAGM-UHFFFAOYSA-N 317.170 3.067 0 40 DGAB Cc1ccc2cc(C(=O)NCCCCCC(=O)O)c(C)nc2c1 195541925 OOGRMBCGAZMGBD-UHFFFAOYSA-N 314.385 3.226 0 40 DGAB CC(=O)N[C@@H](C)C1CCN(Cc2ccc(C)c(Cl)c2)CC1 225585773 UXALGOKOZJQPLB-ZDUSSCGKSA-N 308.853 3.385 0 40 DGAB Cc1nn(C)c2ncc(C(=O)Nc3ccc(Cl)c(F)c3)cc12 45999814 RLWONSGIJWUMCR-UHFFFAOYSA-N 318.739 3.322 0 40 DGAB CC/C(=C\C(=O)N1CCC(C(=O)O)CC1)c1ccc(C)cc1 222114825 NASILOWKIYXTMH-WYMLVPIESA-N 301.386 3.112 0 40 DGAB S=C(NCCCSCc1ccco1)Nc1cccnc1 225595471 KPAFPVFBLPFABH-UHFFFAOYSA-N 307.444 3.285 0 40 DGAB Fc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 225399236 SNBBEMRZZKJQNE-UHFFFAOYSA-N 309.454 3.378 0 40 DGAB COc1cccc(N[C@@H]2OC(=O)c3c2c2ccccc2n3C)c1 49543494 WOBVGRWSRWTFKX-QGZVFWFLSA-N 308.337 3.468 0 40 DGAB biogenic Cc1cc(F)cc2c(=O)c(C(=O)N3CCCCCCC3)c[nH]c12 96424039 LXBJZKQAPPWDAI-UHFFFAOYSA-N 316.376 3.382 0 40 DGAB CCS(=O)(=O)[C@@H](C)C(=O)c1ccc(-c2ccccc2)cc1 96518003 OYMWPFOXBDYBLL-ZDUSSCGKSA-N 302.395 3.360 0 40 DGAB C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cnnc2ccccc12 529062814 CKVKEKBWDHDGHX-GWCFXTLKSA-N 323.318 3.433 0 40 DGAB Fc1cccc(CNCc2ccn(CC(F)(F)F)n2)c1F 256052086 LWLZEJOYTVADDV-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB C[C@]12CCC(=O)C[C@H]1CC(=O)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253595510 FJZKBPUBWKYMHG-QVFHWWITSA-N 302.414 3.346 0 40 DGAB CC[C@H](NC(=O)[C@@](C)(O)CCc1ccccc1)c1nccs1 252498846 RNIIPEIGQIQCFQ-YOEHRIQHSA-N 318.442 3.094 0 40 DGAB COc1cccc([C@H](CNC(=O)/C=C/c2ccsc2)OC)c1 96390095 JBVBSSJRMWNTBW-MOEXGYKKSA-N 317.410 3.274 0 40 DGAB Cc1nc(Nc2ncc(-c3ccccc3)s2)cc(C2CNC2)n1 585263450 ZRLMHQRTWIBSHM-UHFFFAOYSA-N 323.425 3.339 0 40 DGAB CCCc1cnc(Nc2cc(C)nc(C3CCNCC3)n2)s1 585263608 UJMNEOYROAYZHO-UHFFFAOYSA-N 317.462 3.405 0 40 DGAB O=C(/C=C/c1ccsc1)NCc1noc(-c2ccccc2)n1 63486985 FIEULFAZFJCPCG-VOTSOKGWSA-N 311.366 3.128 0 40 DGAB C/C(=C\C(=O)Nc1nc2c(s1)CN(C)CC2)c1ccccc1 96309317 XRABMZCFKXCCON-ZRDIBKRKSA-N 313.426 3.173 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)c1[nH]ncc1Br 78926993 TXKZEWHMPQYJKS-ZETCQYMHSA-N 314.208 3.067 0 40 DGAB Cc1ccc(S(=O)(=O)[C@@]23N=NC(C)(C)[C@@H]2N=NC3(C)C)cc1 5766435 OZSJQDTYFLOKMG-WFASDCNBSA-N 320.418 3.322 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)s1 5975347 JGOSNRLIWWEQBW-WCFLWFBJSA-N 309.431 3.297 0 40 DGAB COc1ccc(NCc2cc3ccccc3[nH]c2=O)c(OC)c1 12144313 IQBRPKHGPTYAOF-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB COCCNc1ncc(-c2cc(C)no2)c(-c2ccoc2C)n1 12251489 FRKUYENFRHQKQJ-UHFFFAOYSA-N 314.345 3.067 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(OC)cc1 13612611 JNYQBTWNQBNHGO-MRXNPFEDSA-N 304.434 3.080 0 40 DGAB Cc1cc(C)n(C2CCN(Cc3nc4ccccc4[nH]3)CC2)n1 19656776 QYEWFCDLSMHWPF-UHFFFAOYSA-N 309.417 3.213 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)c(OC)c1C 1698457 BNGSGMUIQBOSIZ-RVDMUPIBSA-N 323.348 3.357 0 40 DGAB Cc1nccn1CC1CN(c2nc3c(F)cccc3s2)C1 1889149093 DGBHOAVKJUVRHB-UHFFFAOYSA-N 302.378 3.077 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCc1cncc(-c2ccco2)c1 575414333 CTUOBNBLCKMFEJ-AWEZNQCLSA-N 322.364 3.425 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCc1cncc(-c2ccoc2)c1 575619901 HNMQXXMWXXQOIP-CQSZACIVSA-N 322.364 3.425 0 40 DGAB CN(Cc1cc(=O)n2ccsc2n1)c1ccc(Cl)cc1 15731900 DDIRJQRPYVZCJG-UHFFFAOYSA-N 305.790 3.046 0 40 DGAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 40074636 JBHNHRONKFIUDN-SKDRFNHKSA-N 323.801 3.419 0 40 DGAB Cc1ccsc1C(=O)Nc1cccc(N2CCOC2=O)c1 40074130 RFUSBWDBDWCGTL-UHFFFAOYSA-N 302.355 3.265 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)CC(C)(C)C)cn2)C[C@@H](C)O1 40142639 KIELYLKTRPUEOH-BETUJISGSA-N 305.422 3.070 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)C(=S)NCc1ccco1 31484 XTPIZABMHIBQCA-UHFFFAOYSA-N 312.753 3.128 0 40 DGAB CCOc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44771 USWJNXUVYBJYHV-AWEZNQCLSA-N 324.380 3.077 0 40 DGAB C[C@H](CN1CCCC1)OC(=O)c1cccc(Br)c1 210685 HJOOJWKRWJMXAK-LLVKDONJSA-N 312.207 3.090 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1 260552 OJQJPWXTIMRLEE-AWEZNQCLSA-N 308.353 3.021 0 40 DGAB COc1ccccc1NS(=O)(=O)c1cccc2cccnc12 2465202 WLHZDUOUJSLXGC-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB CC(=O)c1ccc(N2CCN(c3ccc(F)cc3)CC2)nc1C 20405402 JVMPDMFKQPAMIT-UHFFFAOYSA-N 313.376 3.058 0 40 DGAB C[C@@H](n1c(=O)[nH]c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 3851486 SKCULMWIJAJXJP-JSFDKUKPSA-N 324.424 3.467 0 40 DGAB CC(=O)OCc1ccc(C(=O)Nc2ccc(N(C)C)cc2)cc1 6550237 RAMGVPADOGNBOL-UHFFFAOYSA-N 312.369 3.068 0 40 DGAB Cc1ccc(F)cc1NC(=O)c1nn(-c2ccccc2)nc1C 7970783 JXPITHOHZYDYGN-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CCC(=O)N1CCc2cc(C(=O)NCc3ccccc3C)ccc21 58168712 ZDYJBVGBKUNSDX-UHFFFAOYSA-N 322.408 3.224 0 40 DGAB COc1ccc2[nH]c(C)c(C(=O)CNc3nccs3)c2c1 496241 YVWYKWAVIXTBGU-UHFFFAOYSA-N 301.371 3.236 0 40 DGAB CC1CCC(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 29709309 IJAHGHXUURXTIT-RUXDESIVSA-N 310.438 3.081 0 40 DGAB Cc1cccnc1NC(=O)c1ccnc(N2CCCC[C@H]2C)c1 69484553 TZYCAPAFDUUZFK-CQSZACIVSA-N 310.401 3.416 0 40 DGAB Cc1noc(C)c1COC(=O)[C@H]1COc2ccc(Cl)cc2C1 22639320 BLYZWQPMCGUNHL-GFCCVEGCSA-N 321.760 3.239 0 40 DGAB O=C(Nc1nccs1)c1ccc(NC(=O)c2ccco2)cc1 852564 OAVQGDUZVDBKKR-UHFFFAOYSA-N 313.338 3.241 0 40 DGAB O=C1O[C@H](S[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21 12274228 MJYYBSOPSYZNSJ-WMLDXEAASA-N 314.362 3.285 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NCc1ccc(Cl)s1 46996185 SYIXMWCGSLUTAC-UHFFFAOYSA-N 313.810 3.348 0 40 DGAB C[C@@H](C(=O)N[C@H]1CCc2ccccc21)N1CCc2ccccc21 58166877 RWFBMROCHVQRQU-KSSFIOAISA-N 306.409 3.241 0 40 DGAB CN(Cc1cccc2cccnc12)S(=O)(=O)c1cccs1 24839926 JRBIKXTUFCMIIE-UHFFFAOYSA-N 318.423 3.117 0 40 DGAB Cc1noc2ncc(C(=O)Nc3cccc(-c4ccn[nH]4)c3)cc12 24891137 KSMXMURIJNVZHJ-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB Cc1ccoc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55944998 CTJZVWAJPCYUBL-GJZGRUSLSA-N 303.333 3.377 0 40 DGAB O=C(Nc1nccs1)c1ccc(Cn2cc(Cl)cn2)cc1 27969640 NWOIDZZXGZCMFM-UHFFFAOYSA-N 318.789 3.294 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCCCn2nc(C)cc2C)C1(C)C 27084573 ANHHANPOLFHIAI-HZPDHXFCSA-N 303.450 3.245 0 40 DGAB c1ccc(Cn2ncc3c2CCC[C@H]3NCc2ccccn2)cc1 27223083 ZADIEEAIDSVPKB-LJQANCHMSA-N 318.424 3.494 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)c1ccc2ccccc2n1 58344471 SMTJHRWWKBLDKT-UHFFFAOYSA-N 306.369 3.402 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CC1)Nn1cnc2ccccc21 10404572 SOQHNBYJWCALAP-QGZVFWFLSA-N 306.369 3.441 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 48309535 HATJZHBAHYJBGH-RDJZCZTQSA-N 318.436 3.439 0 40 DGAB CCC(CC)C(=O)NC[C@@H](c1ccc(OC)cc1)N1CCCC1 27747135 CJNQDUUKUXFEEZ-SFHVURJKSA-N 318.461 3.385 0 40 DGAB Cc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 7914743 DVHFKGJOJXYPFX-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB CSc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)o1 4060793 JYJVNPPFCYHZAK-UHFFFAOYSA-N 323.381 3.435 0 40 DGAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(CC(C)C)c2N)cc1 13692420 UHVCBYBOSYTUIZ-UHFFFAOYSA-N 320.458 3.484 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1C 5086770 MKORWVKAUOGESA-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB C[C@H](c1ccccc1Cl)N1CCN(CCC(C)(C)O)CC1 81648522 VTWIWGFQCYNCEY-CQSZACIVSA-N 310.869 3.180 0 40 DGAB COc1cc(C)cc2c1ncc1c(=O)n(-c3ccccc3)[nH]c12 64874662 NHYMOEKWKOIMIQ-UHFFFAOYSA-N 305.337 3.184 0 40 DGAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cnccn1 8280177 SDNLMZLQEYHGLJ-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB Cc1cnc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)cn1 6342090 WOBVBSUSPWWEHT-UHFFFAOYSA-N 314.345 3.300 0 40 DGAB COc1ccc([C@@H](C)NC(=O)Nc2c(C)n[nH]c2C)cc1F 65407512 QXOOJJBKGNUEQR-MRVPVSSYSA-N 306.341 3.057 0 40 DGAB O=C([C@@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2s1 14068573 QBJUHNIKZVHDIB-OLZOCXBDSA-N 302.399 3.139 0 40 DGAB Cn1ccnc1Sc1ccccc1NC(=O)C[C@H]1CCCO1 65549976 AWXBOQBLSOOFQK-GFCCVEGCSA-N 317.414 3.079 0 40 DGAB O=C(c1ccsc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 14184672 JWWRTQKNQVVJDG-AWEZNQCLSA-N 315.394 3.497 0 40 DGAB CC(C)C[C@H](C)N(C)C(=O)Nc1cccc(C(=O)N(C)C)c1 69351841 QXILXFSNJRMGKY-ZDUSSCGKSA-N 305.422 3.287 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)cc1 69557464 BNJDYKVDXZRZAM-MOPGFXCFSA-N 322.408 3.107 0 40 DGAB Cn1cc(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cn1 8782465 FFALMOZTKSOPJX-UHFFFAOYSA-N 303.316 3.184 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1 7057410 OPVYDTSYCSPUNM-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB COc1ccc(-c2ccc(CNC(=O)[C@H]3CCOC3)s2)cc1 80056838 NDPAXLDPSSSSIK-ZDUSSCGKSA-N 317.410 3.076 0 40 DGAB COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccccc1 8969885 GSVAQPRHUJBYPD-KRWDZBQOSA-N 319.364 3.476 0 40 DGAB COc1ccc(CN(C)Cc2nc(C(C)(C)C)no2)c(OC)c1 71795948 KIZVSJWDRLSCET-UHFFFAOYSA-N 319.405 3.016 0 40 DGAB Cc1cnc([C@H](NC(=O)c2cc(C3CC3)on2)C2CC2)s1 89702390 WMCOTGPSZWXHLL-CYBMUJFWSA-N 303.387 3.198 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)Cc1ccccc1 72291411 BITSQONNKCSZKC-CYBMUJFWSA-N 307.390 3.349 0 40 DGAB CC(C)(C)c1nc(CNC(=O)c2ccc(C(=O)O)s2)cs1 97017695 UBSBMLJWKMHJRD-UHFFFAOYSA-N 324.427 3.130 0 40 DGAB Cc1cccc(NC(=O)N[C@H](C)C[C@H](O)c2cccs2)n1 97378555 XXTBDPPFHJLXQM-NEPJUHHUSA-N 305.403 3.085 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1c1ncnc2sccc12 95446173 VVRMZNSGWYZRBN-UHFFFAOYSA-N 306.391 3.054 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2CC(=O)c2cccs2)o1 95436120 YBPDCNCRTSNAEB-ZDUSSCGKSA-N 317.410 3.456 0 40 DGAB COc1ccc(NC(=O)N2CCOC(C)(C)[C@@H]2C)cc1Cl 95422017 HEBWUTUYKKGXET-JTQLQIEISA-N 312.797 3.380 0 40 DGAB Cc1[nH]nc(C(F)F)c1NS(=O)(=O)/C=C/c1ccccc1 95457217 WHGHVAXVJPEQBT-BQYQJAHWSA-N 313.329 3.068 0 40 DGAB C[C@H](NCC(=O)Nc1cccnc1)c1cccc(C(F)(F)F)c1 95984254 WPLREXVSJQWSEP-NSHDSACASA-N 323.318 3.390 0 40 DGAB c1cn(C2CCCC2)nc1CN[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 95988100 WOITVOIRMASVPJ-KSZLIROESA-N 315.461 3.436 0 40 DGAB CSC[C@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95960436 LXTGZXIRNDGVIV-LBPRGKRZSA-N 318.442 3.402 0 40 DGAB COc1ncccc1NC(=O)c1cc(C2CC2)nn1C(C)(C)C 79190282 HIXKODPWCAKZRD-UHFFFAOYSA-N 314.389 3.171 0 40 DGAB CCCCn1cc(I)c(COCCC)n1 408716910 SOYXIJRQNRQYAD-UHFFFAOYSA-N 322.190 3.214 0 40 DGAB Cc1ccc2c(c1)CN([C@@H](C)c1ccc(C(=O)O)o1)CCO2 519543522 DVFGSISVSOHQEX-LBPRGKRZSA-N 301.342 3.242 0 40 DGAB O=C(NCc1ccccc1F)c1cc(-c2ccc(F)cc2)[nH]n1 72328215 ZNOOTVJYNYNWDH-UHFFFAOYSA-N 313.307 3.285 0 40 DGAB COCCN(C(=O)c1ccccc1OC(C)C)c1ccncc1 79310706 FVFLMQDAXRYWDX-UHFFFAOYSA-N 314.385 3.162 0 40 DGAB O=C(O)CCc1ccccc1CNC(=O)OCc1ccccc1 536956167 XIJCCPNSDHMHFI-UHFFFAOYSA-N 313.353 3.130 0 40 DGAB Cc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 72227121 MQZBLZROYQHMBP-GJZGRUSLSA-N 320.314 3.429 0 40 DGAB Cn1cc(CCC(=O)N[C@H]2CCOC(C)(C)C2)c2ccccc21 79190535 KHNVAPROUJAXEZ-HNNXBMFYSA-N 314.429 3.185 0 40 DGAB biogenic CSc1nnc(NC(=O)CSc2ccc(C)cc2)s1 32700402 KTYCROPXPVXJFO-UHFFFAOYSA-N 311.457 3.299 0 40 DGAB COc1ccc(C2=CCN(C(=O)/C=C/c3cccnc3)CC2)cc1 79064983 QUAIICGZWKXSMY-RUDMXATFSA-N 320.392 3.419 0 40 DGAB N[C@H]1N=C(c2ccc(Cl)cc2)C2=C(N1)c1ccccc1CC2 31871020 QYKUVRRPDDEXDP-SFHVURJKSA-N 309.800 3.332 0 40 DGAB NC(=O)c1cc(Br)ccc1OCc1ccccc1 72621945 FSUIPSYYKGBMOF-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB CCN(Cc1c(Cl)cccc1Cl)C(=O)[C@@H](N)C(C)C 79420373 YKSYJOCYJPLYLC-ZDUSSCGKSA-N 303.233 3.325 0 40 DGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccnc1 223419155 JHEKPDMMRYRDDZ-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB CCOc1cccc(CNC(=O)Nc2cccc(OC)c2)c1 45884369 ADNIIQWSCDLLLX-UHFFFAOYSA-N 300.358 3.416 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCOc2ccccc2C)c1 224263537 MOJKCUFZEJJTKM-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739488 IOTUXBAFFUXXPR-LBPRGKRZSA-N 314.772 3.332 0 40 DGAB CCC[C@]1(COC)CCCN1C(=O)Nc1c(C)nn(CC)c1C 194808374 LCIMHCPNXITUGI-QGZVFWFLSA-N 322.453 3.333 0 40 DGAB O=C(NCCc1nc(-c2ccccc2)cs1)c1ccccn1 41567397 ZYLSDSMZHMBDOX-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB CSc1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 225719756 HZCVBRMERKGEMW-UHFFFAOYSA-N 324.405 3.362 0 40 DGAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222851949 IJEDPQRKGCBEMG-CVEARBPZSA-N 314.458 3.284 0 40 DGAB C[C@@H]1CN(C(=O)c2cnn(C3CC3)c2)CC[C@@H]1c1ccccc1 528663653 HYJLQEVDVFPWNG-KDOFPFPSSA-N 309.413 3.484 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)N1CCSc2ncccc21 96425389 DBPIWPUYZGJQQQ-ZDUSSCGKSA-N 314.410 3.126 0 40 DGAB O=C(CC1=CCCCC1)N1CCO[C@H]2[C@@H](OCC3CC3)CC[C@@H]21 96042102 FHJNMDFNRNKTOT-JENIJYKNSA-N 319.445 3.062 0 40 DGAB O=C(c1ccon1)N(CCc1cccc(F)c1)C1CCCC1 96462193 JTUDADJEWUNXKN-UHFFFAOYSA-N 302.349 3.441 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2c2cccc(N(C)C)c2)n1 96410197 MMKIZJHDCGKMJQ-GOSISDBHSA-N 309.413 3.433 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2cc(F)c(F)cc2F)cc1 96483234 LNYBBIDXJSCEHB-UHFFFAOYSA-N 309.243 3.282 0 40 DGAB Cn1cc(NC(=O)N2CCC[C@H]2c2cccnc2)c(C2CC2)n1 583474380 CMEFAWFZUDRJJD-HNNXBMFYSA-N 311.389 3.062 0 40 DGAB COc1cccc([C@@H](CNC(=O)Nc2cccs2)OC)c1 96390622 VJNCFWSWYXSMLO-CYBMUJFWSA-N 306.387 3.266 0 40 DGAB Cc1ncsc1C(=O)Nc1ccc(-n2ccnc2C)c(F)c1 65575262 QXGLNVHMTWPZCP-UHFFFAOYSA-N 316.361 3.337 0 40 DGAB CC(C)Oc1ccc(C(=O)N2CCCN(C3CCC3)CC2)cc1 821971550 IJNRRAOFZRHXRV-UHFFFAOYSA-N 316.445 3.174 0 40 DGAB CCc1cc(C(=O)Nc2cccc(Br)c2)ncn1 1888866465 ODEKGJBRHKKNAP-UHFFFAOYSA-N 306.163 3.054 0 40 DGAB COc1cccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)c1 13131962 ZPYRNJDYCDSVDN-HZPDHXFCSA-N 321.384 3.015 0 40 DGAB aggregator CC[C@H](N[C@H](C)Cn1cc(Br)cn1)c1ccncc1 163711633 KNQAJUOKOIXNTA-RISCZKNCSA-N 323.238 3.170 0 40 DGAB CC(=O)NC1CCC(Nc2cccc(N(C)C(C)C)c2)CC1 154410211 ITMRKZJXOLNTPI-UHFFFAOYSA-N 303.450 3.390 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1 6313324 YKQXAQLJHPIPED-UHFFFAOYSA-N 315.803 3.405 0 40 DGAB O=C(C1CCCC1)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670463 RPTGTLYBZSGDIU-UHFFFAOYSA-N 315.373 3.226 0 40 DGAB Cc1ccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c(C)c1 2087051399 OFIOYWCWPXERKA-UHFFFAOYSA-N 312.413 3.196 0 40 DGAB Cc1nc2ccccc2n1C1CN(c2cnc3ccccc3n2)C1 1775974025 KGYYAQZZJRYMFV-UHFFFAOYSA-N 315.380 3.349 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)s1)c1ccco1 1775967908 GCOCPDDFWADWGJ-JTQLQIEISA-N 303.339 3.065 0 40 DGAB COc1ccc(CCNC(=O)N[C@H](C)Cc2cccs2)cc1 28412107 MERQTAUHEPZPGP-CYBMUJFWSA-N 318.442 3.230 0 40 DGAB Cc1nc2ccccn2c1C(=O)N1CC[C@@H](c2ccccc2)C1 38567081 GANNNTSMADBJHR-MRXNPFEDSA-N 305.381 3.272 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NCc1cncc(C2CC2)c1 575619807 NNHZFQYIUXANEA-UHFFFAOYSA-N 300.789 3.471 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1cccc(Oc2ccccc2)c1 40092402 HWYWNVRXGRAXLZ-OAHLLOKOSA-N 321.380 3.494 0 40 DGAB O=c1c2ccsc2ncn1Cc1cccc(OC(F)F)c1 50234690 GHWHZCGBCUEIEK-UHFFFAOYSA-N 308.309 3.108 0 40 DGAB CCc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 44762 HRAUMMURFDEOMO-HNNXBMFYSA-N 308.381 3.241 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H](n3cccn3)C2)c(C)o1 69432653 SQVHBIMYCIGUEE-UKRRQHHQSA-N 301.390 3.060 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 69436022 ICBWXXPHHUHMJB-DLBZAZTESA-N 315.800 3.252 0 40 DGAB COC(=O)[C@]1(Cc2ccccc2)Cc2ccc3c(c2C1=O)CCC3 1646167 ZNFPTZOXJLITJK-OAQYLSRUSA-N 320.388 3.316 0 40 DGAB C[C@H](CCN1CCOCC1)Nc1ccnc2cc(Cl)ccc12 1873629 AVOCPUOPDRSMCW-CYBMUJFWSA-N 319.836 3.411 0 40 DGAB CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1C)C2=O 2030999 CKHJJXGNOXCPIP-UHFFFAOYSA-N 323.348 3.362 0 40 DGAB CCN(CC)CCCNC(=O)c1cc(-c2ccc(C)cc2)on1 4505339 NFFJCFAYCGOOEK-UHFFFAOYSA-N 315.417 3.112 0 40 DGAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@@H]3C[C@H]3C)cc12 45762254 PSWWGQJGCGQJPZ-BXKDBHETSA-N 301.342 3.214 0 40 DGAB CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 6630195 MXYKZOKKAIDNMZ-LFIBNONCSA-N 309.369 3.007 0 40 DGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(F)cc1 10449992 SGZVADSXZZFOIB-GFCCVEGCSA-N 305.374 3.107 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(C2SCCCS2)cc1 32736115 SDWFQURXEYTXSA-AWEZNQCLSA-N 323.483 3.464 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(c3cc(C)cc(C)n3)C(=O)[C@@H]21 102361236 GMXCSMUFVUALIH-KFZJALRRSA-N 310.397 3.180 0 40 DGAB O=C(NCCCOc1ccccc1)N[C@@H]1CCc2ccccc21 32803457 DQGHDNHTBDCMCE-GOSISDBHSA-N 310.397 3.442 0 40 DGAB FC(F)(F)c1ccnc(Nc2cnn(Cc3ccccc3)c2)n1 52488607 VLJLHCSSMBQQCG-UHFFFAOYSA-N 319.290 3.484 0 40 DGAB O=C(c1ccc(Cl)cc1Cl)N1[C@@H]2CCC[C@@H]1COC2 101328564 JJQNSHDZYIRDOH-GHMZBOCLSA-N 300.185 3.387 0 40 DGAB CCOc1ccccc1C(=O)NC[C@H](c1cccs1)N(C)C 22687748 BSIJEKKWWNHYFB-CQSZACIVSA-N 318.442 3.180 0 40 DGAB O=C(c1cccc(CN2CCC3(CC2)OCCO3)c1)C1CCC1 43211297 LIPDYNOMLGDSOT-UHFFFAOYSA-N 315.413 3.008 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47806593 PEBSXPOKLRQCJH-MCIONIFRSA-N 305.422 3.220 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)Nc2cc(C)on2)c1 25065664 DEJSRPUGKHJZNL-CQSZACIVSA-N 301.346 3.361 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)c2ccccc2F)cc1 20490711 DUCMVALXEAQDPM-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)Nc1cnn(C)c1 25307429 PVHIPRQUINQPKM-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB CC(C)COCCCNC(=O)NCc1nc2ccccc2s1 26265163 OKHXJRNWRMRMJI-UHFFFAOYSA-N 321.446 3.158 0 40 DGAB O=C(NCCCN1CCCCCC1)c1cc2ccccc2o1 57288906 CCRHSEKWDTYYRH-UHFFFAOYSA-N 300.402 3.429 0 40 DGAB O=C(c1cn2cccnc2n1)N(Cc1ccccc1)CC1CCC1 57444124 WJKJWUKYOYOQGE-UHFFFAOYSA-N 320.396 3.172 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC[C@@H](O)c2ccccc2)c1 26714735 BTBDSUYHJYCNJB-CXAGYDPISA-N 301.386 3.088 0 40 DGAB O=C(CN1CCCc2cc(F)cc(F)c21)NCc1ccccc1 26725506 CJVICNXKJOLALJ-UHFFFAOYSA-N 316.351 3.034 0 40 DGAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1cccs1 58068056 UNHQOQPYBKUAQF-UKRRQHHQSA-N 317.458 3.101 0 40 DGAB CC(=O)Nc1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 3330225 BVZZVAHRCGOQJH-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB COc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)ccc1C 12759793 SCFQEOBTZLZBKF-SFHVURJKSA-N 324.424 3.133 0 40 DGAB CCCCOc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1 12870078 WTIDHYYCEDUGFQ-UHFFFAOYSA-N 301.390 3.468 0 40 DGAB CN(CCOc1ccc(F)cc1)C(=O)c1cc(Cl)ccc1O 12998458 ICBJFOCVKZBFGL-UHFFFAOYSA-N 323.751 3.336 0 40 DGAB CN(C(=O)/C=C/c1ccccc1)C1CCN(c2ccccn2)CC1 69530164 NYZKNLPWXGFGDV-ZHACJKMWSA-N 321.424 3.222 0 40 DGAB OCCCn1cnc(-c2ccccc2)c1-c1cccc2c1OCO2 65380949 MZVQNEFGZXWPNO-UHFFFAOYSA-N 322.364 3.328 0 40 DGAB C[C@@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)O 5234690 SIBYGYKKXXTSNV-LLVKDONJSA-N 310.305 3.312 0 40 DGAB COCCCC(=O)Nc1nc2ccccc2n1Cc1ccccc1 27923144 AKUPQWHRBZKJNR-UHFFFAOYSA-N 323.396 3.450 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1 80088180 VMWWKMWAOMKKLH-MLGOLLRUSA-N 318.417 3.256 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2n[nH]c3ccccc23)cc1C 16207110 NZJSBOQOSQOKSY-UHFFFAOYSA-N 308.337 3.219 0 40 DGAB CC(C)(C)NC(=O)CSc1nc2ccccc2n1C(F)F 9112081 JMXDYXCYNICWEK-UHFFFAOYSA-N 313.373 3.438 0 40 DGAB c1cc(CN2CCC(OC3CCOCC3)CC2)c2cc[nH]c2c1 93141235 UBYMTDGPFGPVPS-UHFFFAOYSA-N 314.429 3.328 0 40 DGAB O=C(c1occc1-c1ccccc1)N1CCC[C@@H]1Cn1cccn1 71866372 PLAGLCSIBNZWJK-MRXNPFEDSA-N 321.380 3.448 0 40 DGAB O=C(Nc1cccc2nonc12)c1ccc(Cl)nc1Cl 9486759 OTLCSLALBBGKBO-UHFFFAOYSA-N 309.112 3.177 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2OC)c1C 9483087 OPGJCGYQZLPONY-UHFFFAOYSA-N 316.357 3.069 0 40 DGAB O=C(CN1CCCC[C@@H]1c1ccco1)NCc1cccs1 71909417 OVNLDJACQGYKLW-CQSZACIVSA-N 304.415 3.185 0 40 DGAB C[C@@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)n1cccn1 71908739 RLABOSILIFHKMT-ZDUSSCGKSA-N 301.365 3.022 0 40 DGAB O=C(Nc1cc(-n2cccc2)ccc1F)NC1CCC(O)CC1 71905417 KOJPXYIYAFQKPK-UHFFFAOYSA-N 317.364 3.041 0 40 DGAB CCCN1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 84167988 OAUOEWZXGBVCBV-UHFFFAOYSA-N 317.820 3.056 0 40 DGAB Nc1cc(C(F)(F)F)ccc1N1C[C@@H](C(F)(F)F)OC1=O 72295224 MAETWFOZRUBOSP-QMMMGPOBSA-N 314.185 3.175 0 40 DGAB in-vitro Clc1ccccc1CN[C@H](Cn1cncn1)c1ccccc1 72242435 GMXUOZBDHMTJPA-QGZVFWFLSA-N 312.804 3.463 0 40 DGAB OC1CCN(Cc2ccc(CNC[C@H]3CC=CCC3)cc2)CC1 97020818 MZJJZPGIBUAAST-KRWDZBQOSA-N 314.473 3.089 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@@H]2CCCCO2)c(C)c1 97056521 WURDGYXGHGAQQF-AWEZNQCLSA-N 306.406 3.474 0 40 DGAB Cc1cccc([C@@H](NC(=O)Nc2cnn(C)c2)C(F)(F)F)c1 97080834 WMDCOPFRJVIRMS-GFCCVEGCSA-N 312.295 3.154 0 40 DGAB Cc1ccsc1[C@@H](C)NCCc1ccc(S(C)(=O)=O)cc1 97017128 IXVGHPZUYPKFKB-CYBMUJFWSA-N 323.483 3.353 0 40 DGAB CC[C@@H](C)NC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329028 ANQGQEOHFZTCGG-SECBINFHSA-N 322.206 3.368 0 40 DGAB CC(C)(CCS(C)(=O)=O)CNc1ccc2ccc(F)cc2n1 78296068 ZWUPVICTKNXEQP-UHFFFAOYSA-N 324.421 3.247 0 40 DGAB COc1c(C)cnc(CN2CCCC[C@@H]2c2ncc[nH]2)c1C 95422795 GWIBHPAOIQCCBE-OAHLLOKOSA-N 300.406 3.157 0 40 DGAB CC(C)Oc1cc(CN(C(=O)c2cccn2C)C2CC2)ccn1 95434647 QGKQWBSJMMPCCD-UHFFFAOYSA-N 313.401 3.012 0 40 DGAB O=C(c1ccccc1F)N1CCC(NC[C@@H]2CC=CCC2)CC1 95433915 BJDXEZKIUFWKGB-OAHLLOKOSA-N 316.420 3.376 0 40 DGAB CC[C@@H]1CC[C@H](NCc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 84735444 LEBDKGSREWHYOJ-UTUOFQBUSA-N 316.371 3.071 0 40 DGAB O=C(O)c1nc(-c2cn(CC3CCCCC3)cn2)n2ccccc12 110066230 AAQBZODVAKFHHO-UHFFFAOYSA-N 324.384 3.476 0 40 DGAB Cc1cc([C@H]2CN(Cc3c(C)nn(C)c3C)CCO2)ccc1F 95978967 BRFUDCYWRMBNDE-GOSISDBHSA-N 317.408 3.058 0 40 DGAB CC(C)(C)c1nccc(N2CCN(c3ccc(F)cc3)CC2)n1 95962918 RVTGOMNDHAEJGJ-UHFFFAOYSA-N 314.408 3.240 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCCCCC2)c(OC)c1OC 9973452 NDWNETZNQPNSCB-PKNBQFBNSA-N 319.401 3.128 0 40 DGAB CCCCNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221068 JNOVUQUBOJDOAH-OAHLLOKOSA-N 308.853 3.468 0 40 DGAB CC(=O)N1[C@@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1CC(C)C 1505840739 YDIFCVPDLGJGPX-HZPDHXFCSA-N 314.385 3.113 0 40 DGAB O=C(c1ccncc1)N1CCS[C@H](c2cccs2)CC1 219499609 PNTXYJUPCUAWSX-AWEZNQCLSA-N 304.440 3.464 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)cc1 38566479 LSHVYHHTOQVOOP-MRXNPFEDSA-N 313.372 3.393 0 40 DGAB O=C(NC[C@@H](O)c1cccc2ccccc12)c1cccc(F)c1 70635933 WPDQCGBYMPWAIC-GOSISDBHSA-N 309.340 3.442 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@@H]3C4)cc2)n1 78148287 VPXKUWAJYYUJAP-UHOSZYNNSA-N 323.440 3.467 0 40 DGAB COc1ccc(NS(=O)(=O)/C=C/c2ccc(Cl)cc2)cn1 7056608 JSUKHQVZAQMDEG-CMDGGOBGSA-N 324.789 3.156 0 40 DGAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1cccnc1 36352558 UGGWJLMRGOWEEN-UHFFFAOYSA-N 306.247 3.229 0 40 DGAB Cc1ccccc1N1CC(O)=C(c2nc3ccccc3[nH]2)C1=O 217440062 JIIBPSKNAYVEPE-UHFFFAOYSA-N 305.337 3.187 0 40 DGAB COc1cc2c(Cl)ncnc2cc1OCC1CCN(C)CC1 36433295 XAVZTXQALXOZJS-UHFFFAOYSA-N 321.808 3.012 0 40 DGAB Cc1cc(NC2CCOCC2)cc(N2CCN(C(C)C)CC2)c1 188701672 NWBVZGMVKKGSSH-UHFFFAOYSA-N 317.477 3.116 0 40 DGAB O=S(=O)(NCC(c1ccco1)c1ccco1)c1cccs1 675007890 ZOEMUPHLCCSFAJ-UHFFFAOYSA-N 323.395 3.045 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76958386 BGWAFWJKUGAQAW-OLZOCXBDSA-N 322.405 3.022 0 40 DGAB O=C1Oc2nc3cc4c(cc3cc2CN1C1CCCC1)OCO4 72396351 QWIHEYAWTZLAAA-UHFFFAOYSA-N 312.325 3.221 0 40 DGAB CCOC(=O)[C@@H]1CC(=O)N(C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C1 45957848 GJVCUKLNXHBNEQ-ITBCDRTKSA-N 319.445 3.147 0 40 DGAB C[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)c1ccc2ccccc2c1 195578180 JNWZLSVVTQGOIG-PMUMKWKESA-N 312.413 3.361 0 40 DGAB CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)CCc1cccnc1 527053796 YXSUXYWBPMVCGU-LBPRGKRZSA-N 300.324 3.204 0 40 DGAB O=C(c1ccsc1)N1CCC2(CCN(CC3CC3)CC2)CC1 96047279 DGSYVDOZAMHWTH-UHFFFAOYSA-N 318.486 3.476 0 40 DGAB OCCOc1ccccc1OCc1ncc(Cl)cc1Cl 96494596 DEFFECBQTATLKT-UHFFFAOYSA-N 314.168 3.339 0 40 DGAB COC(=O)c1cc(C(F)(F)F)cc(Br)c1F 148508855 UAWUPZNDBKVMGQ-UHFFFAOYSA-N 301.033 3.394 0 40 DGAB Cn1cc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)cn1 96403524 IQDRYGQAVODVOX-UHFFFAOYSA-N 311.307 3.355 0 40 DGAB Cc1cc(NC(=O)N[C@@H](CCCO)c2ccccc2)sn1 584907680 YPVLBZDWKSNQTO-ZDUSSCGKSA-N 305.403 3.087 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@H](Cc2ccccn2)C1 257310645 UFYLGFXYKDCVSA-CQSZACIVSA-N 300.427 3.167 0 40 DGAB CC1=NO[C@H](c2nc(-c3ccc(Br)cc3)no2)C1 585133722 SBJLHIVRLBWNRR-JTQLQIEISA-N 308.135 3.336 0 40 DGAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@]12O 253617225 CWGZMGDCCGJNKL-NNOGPSMRSA-N 304.430 3.282 0 40 DGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@@H]1c1ccn[nH]1 257261996 LJPMGHAKFARCKA-MRXNPFEDSA-N 312.348 3.398 0 40 DGAB CCc1nc(C)c(CN2CCC[C@H](c3ccnc(NC)c3)C2)[nH]1 257329397 XJVHALPHGWBKLC-HNNXBMFYSA-N 313.449 3.097 0 40 DGAB COCCNC(=O)NC1(c2ccc(Cl)cc2)CCCCC1 69557984 KTKYPXUJDXQIMU-UHFFFAOYSA-N 310.825 3.445 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1ccc(F)c(-n2cccc2)c1 69567201 VHZYOVMLJSPCCV-UHFFFAOYSA-N 313.332 3.402 0 40 DGAB COC(=O)c1ccc([C@@H]2NN=C(c3ccc(C)cc3)S2)cc1 5745654 QSOPERLAWYUKEI-MRXNPFEDSA-N 312.394 3.478 0 40 DGAB O=C(/C=C1\OCCN1C(=O)Nc1ccccc1)Nc1ccccc1 18057814 RTAHHRRUGKXYIZ-LGMDPLHJSA-N 323.352 3.031 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1Cc2ccccc2C1=O 19083223 YHBIJYGFXRFRME-GJZGRUSLSA-N 301.386 3.441 0 40 DGAB CCOC(=O)c1cc(=O)c2c([nH]1)c(C)cc1c(C)c(C)n(C)c12 12410670 LUPCBHFNDQBBAD-UHFFFAOYSA-N 312.369 3.122 0 40 DGAB Cc1cnc(NC(=O)NCc2cncc(-c3ccoc3)c2)s1 575620197 KUTNSTJUVAMBCZ-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@](C)(O)c2cccs2)cc1 75156102 MXPOSKCGFQEAJD-MRXNPFEDSA-N 320.414 3.176 0 40 DGAB CCN(Cc1cccc(C)c1)S(=O)(=O)N(C)C1CCCCC1 40105074 MXZBTIJSDDJTMG-UHFFFAOYSA-N 324.490 3.326 0 40 DGAB CCc1cc(I)ncc1Br 1857793332 ULIBPVCUQPWODY-UHFFFAOYSA-N 311.948 3.011 0 40 DGAB O=C(Cc1coc(-c2ccccc2)n1)N[C@@H]1COc2ccccc21 58727738 SMQRGYMCDJQQFB-MRXNPFEDSA-N 320.348 3.134 0 40 DGAB Cc1nc2ccccc2c(=O)n1-c1ccc(Br)cc1 196341 HNDXCNZDFXGBRU-UHFFFAOYSA-N 315.170 3.457 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)c1 1358083 ZNOGPPWTQPHRRE-INIZCTEOSA-N 324.428 3.257 0 40 DGAB CC(C)CNC(=O)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379853 VQOLJORRAWCALS-AWEZNQCLSA-N 323.824 3.109 0 40 DGAB Cc1nc2ccnn2c(C)c1CCC(=O)N[C@H](C)c1ccccc1 40554893 WWHGRUUEPVNQOV-CYBMUJFWSA-N 322.412 3.156 0 40 DGAB N[C@H](CC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2576694 OUANSSWMRQKJHU-MRVPVSSYSA-N 301.186 3.199 0 40 DGAB CC(=O)N1CCC(NC(=O)Nc2c(C)cccc2C(C)C)CC1 40526097 QCFZSWIKFNOZMS-UHFFFAOYSA-N 317.433 3.251 0 40 DGAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@]2(O)CCN1C(C)=O 4064339 CTGDXOZPIXKQGX-NEWSRXKRSA-N 317.429 3.300 0 40 DGAB biogenic COc1ccc2cc(CN[C@@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 4130511 XRNWYVIHEPPHAR-BLLLJJGKSA-N 300.402 3.205 0 40 DGAB COC(=O)CCC(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 4967333 UJWJLTAIXQDTNA-UHFFFAOYSA-N 324.336 3.387 0 40 DGAB CCCn1c2ccc(F)cc2c2nc3n(c(=O)c21)CCS3 4973431 BWOYHRZBWBHPOU-UHFFFAOYSA-N 303.362 3.006 0 40 DGAB CN(C[C@@H](O)COCc1ccc(Cl)cc1)C1CCCCC1 6001507 CECXARUDHHNYTA-QGZVFWFLSA-N 311.853 3.482 0 40 DGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(N)=O)cc1 68933634 AIHSLRSWUPRWHU-AWEZNQCLSA-N 324.424 3.272 0 40 DGAB Cc1ccc(S(=O)(=O)c2ccc(CN(C)C3CC3)cc2)cc1 29726348 HEUYMWHZWZMGBA-UHFFFAOYSA-N 315.438 3.422 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)c2ccc(C(=O)O)cc2C1=O 8433952 FLQDCFYMHJSOJB-UHFFFAOYSA-N 315.712 3.147 0 40 DGAB C[C@@H]1CN(CC(=O)NCc2ccccc2)c2ccccc2S1 21093672 GPXCFUIGPCJQNU-CQSZACIVSA-N 312.438 3.304 0 40 DGAB CCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@@H]1c1ccccc1 9280556 HQGZKJJMEITQCG-IRXDYDNUSA-N 309.365 3.462 0 40 DGAB O=C(Nc1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 32912678 HUQJAMXWSKCTSG-GOSISDBHSA-N 309.413 3.473 0 40 DGAB O=C(NCc1ccccn1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102952609 PBZGFNQCHIRDEG-QJRTVWDNSA-N 304.821 3.276 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(C)ccc1F 504176 QQTAJJMJZLCTKJ-INIZCTEOSA-N 317.316 3.432 0 40 DGAB O=C(NC[C@@H]1CCCO1)[C@@H]1CC1(c1ccccc1)c1ccccc1 553038 QOZSPGKNMOQHOC-OALUTQOASA-N 321.420 3.288 0 40 DGAB COc1ccccc1C1(CNC(=O)c2ccccn2)CCCC1 41567422 YOLLAVVGCXNBKW-UHFFFAOYSA-N 310.397 3.332 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1cccc(CN(C)C)c1 69487987 KBOMCWCBVDKYSY-ZWKOTPCHSA-N 324.424 3.499 0 40 DGAB CCCOCc1ccccc1CNc1cc(Cl)nc(N)n1 59392269 IAUXOCJHILJSRD-UHFFFAOYSA-N 306.797 3.251 0 40 DGAB Cc1cc(C(=O)Nc2ccc(-n3nc(C)cc3C)c(F)c2)on1 47409268 CENMYFKAYLDEDX-UHFFFAOYSA-N 314.320 3.177 0 40 DGAB O=C(COc1ccc(F)cc1)NCc1ccc(-n2cccc2)cc1 1426627 LPYYDUGCNIPGDF-UHFFFAOYSA-N 324.355 3.312 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 43583627 QJUYPQBTGYBBAX-SNVBAGLBSA-N 313.756 3.196 0 40 DGAB C[C@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccco1 25460717 DPSRPLSZQXZOJK-JTQLQIEISA-N 321.760 3.124 0 40 DGAB CN1C(=O)C(C)(C)c2cc(NC(=O)c3cccs3)ccc21 57280478 RSEIEZBPKQSKPN-UHFFFAOYSA-N 300.383 3.254 0 40 DGAB N=C(NC[C@@H]1CCN(CCc2ccccc2)C1)Nc1ccccc1 108318631 KYBHLOCEZHPNIJ-SFHVURJKSA-N 322.456 3.187 0 40 DGAB NC(=O)C1=C(Nc2ccc(Cl)cc2)Oc2ccccc2C1 57523618 LKJZDQMYXRIVBA-UHFFFAOYSA-N 300.745 3.084 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(OC(C)C)nc2)cc1F 48353651 RUGLAUQCGAYREK-UHFFFAOYSA-N 302.349 3.246 0 40 DGAB O[C@H]1CCCc2c(OCc3nc(-c4ccco4)no3)cccc21 48303077 OUQHLKSHPBCSDS-ZDUSSCGKSA-N 312.325 3.278 0 40 DGAB COc1ccccc1[C@H](NC(=O)CC(C)(C)C)c1nccn1C 48332381 VWHTVPQDFFJYRP-INIZCTEOSA-N 315.417 3.071 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)c1ccccc1OC(C)C 48333234 QMWGMMIINVVNEJ-GFCCVEGCSA-N 316.401 3.499 0 40 DGAB CCCc1noc([C@H](C)Sc2nnc(-c3cccnc3)o2)n1 48325210 JMXNRXGMWFWRSG-VIFPVBQESA-N 317.374 3.320 0 40 DGAB CCc1nnc(NC(=O)c2cc3ccc(F)cc3nc2C)s1 12851074 OTIIVUBVLHWTPY-UHFFFAOYSA-N 316.361 3.349 0 40 DGAB O=C(CCNC(=O)c1cccs1)Nc1cccc(Cl)c1 12975518 LSGDMXHRYVMSHH-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB CC(C)n1ncc2c(C(=O)NCc3ccco3)cc(C3CC3)nc21 8325475 QNRJWPIAYUIEGD-UHFFFAOYSA-N 324.384 3.413 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 48910217 ZNQNTEKHYPJPKX-GOEBONIOSA-N 314.429 3.187 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)/C=C/c3ccsc3)ccc21 49507078 BUGLJBVVMOZMKR-QHHAFSJGSA-N 312.394 3.309 0 40 DGAB O=C(/C=C/c1nccs1)Nc1ccnn1CCc1ccccc1 69509535 LITSADSOCRWZOL-VOTSOKGWSA-N 324.409 3.234 0 40 DGAB O=C(NCCc1ccsc1)C1(c2ccccc2)CCOCC1 13698285 FTGXLOPTZIODIZ-UHFFFAOYSA-N 315.438 3.155 0 40 DGAB NC1=N[C@@H](c2c(F)cccc2Cl)n2c(nc3ccccc32)N1 5072123 NFVLGLPQRLGGLL-CYBMUJFWSA-N 315.739 3.116 0 40 DGAB CC(C)(C)c1ncc(NC(=O)c2cc(Cl)ccc2O)cn1 64823619 QJPCEAPKDKEGDN-UHFFFAOYSA-N 305.765 3.385 0 40 DGAB CC(=O)N(C)c1ccc(NC(=S)NCc2ccccc2)cc1 13813754 RXWUMUKHJCXRAP-UHFFFAOYSA-N 313.426 3.156 0 40 DGAB Fc1cc2c(c(CSc3nnc4ccccn34)c1)OCOC2 14125474 ISZOHLSMDQKIRW-UHFFFAOYSA-N 317.345 3.027 0 40 DGAB Cc1ncc(CN2CCC[C@@H](c3ncc[nH]3)C2)n1-c1ccccc1 92072601 OVXYIAOTXKAMEB-MRXNPFEDSA-N 321.428 3.283 0 40 DGAB C[C@H]1CN(C(=O)COc2ccc(C(C)(C)C)cc2)CC(C)(C)O1 65607300 OPLALGWVCQBMAO-AWEZNQCLSA-N 319.445 3.389 0 40 DGAB Cc1ccccc1-c1nnc(SCC(=O)NC(C)(C)C)o1 5434852 RVQWFWGNSIZHKL-UHFFFAOYSA-N 305.403 3.052 0 40 DGAB COC(=O)Nc1cc(NC(=O)c2cccc(OC)c2)ccc1F 66489603 QDTLGOYDRONMHV-UHFFFAOYSA-N 318.304 3.265 0 40 DGAB O=C1CCCN1c1ccc(CNc2ncnc3ccsc23)cc1 8762324 SCQVNWIFTJPDCA-UHFFFAOYSA-N 324.409 3.430 0 40 DGAB COC(=O)c1cccc(CN2CCC(c3ccncc3)CC2)c1 67726737 AVVKKOYGQKHYJA-UHFFFAOYSA-N 310.397 3.248 0 40 DGAB Cc1ccc(C(=O)OCc2nc(N)c3ccccc3n2)cc1F 9114271 VRVHCZYAPUALAX-UHFFFAOYSA-N 311.316 3.017 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9112268 UZGPWFMSCHCMDH-UHFFFAOYSA-N 324.380 3.230 0 40 DGAB COCCCn1ccc(NCc2cnc(C(C)(C)C)s2)n1 89761523 HACXXPGSLDPYIW-UHFFFAOYSA-N 308.451 3.286 0 40 DGAB Cc1nn2c(-c3ccc(Br)cc3F)nnc2s1 72400742 PKDCVUGEFQQWDK-UHFFFAOYSA-N 313.155 3.063 0 40 DGAB CCN(Cc1cccc2c1OCO2)C(=O)[C@@H]1C[C@H]1c1ccco1 95397000 QQGMPIPCJMNRNB-ZIAGYGMSSA-N 313.353 3.161 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N(Cc1ccco1)C[C@@H]1CCCO1 95429531 YYYYWVFJBRCRAR-ZDUSSCGKSA-N 308.765 3.083 0 40 DGAB COc1cc2c(cc1CNCc1cnc(C)s1)O[C@@H](C)C2 78448255 PVXSMVXMMTWUNF-JTQLQIEISA-N 304.415 3.073 0 40 DGAB CSc1ccc(NC(=O)NCCc2cscn2)cc1F 95973946 UPBXKPNRPDIWRI-UHFFFAOYSA-N 311.407 3.368 0 40 DGAB Fc1ccc(N2CC[C@@H](NCc3cscn3)C2)cc1Cl 95994172 ILCYTGYXIUDBKY-SNVBAGLBSA-N 311.813 3.304 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3C)C2=O)c1 409230838 GFHQFLRXIRVEKM-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB C[C@@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12 35877799 BMFCCEQNFFZBBI-MPBGBICISA-N 317.392 3.288 0 40 DGAB biogenic c1ccc2c(c1)ncn2[C@@H]1CCCN(c2nc(C3CC3)no2)C1 76686449 LKXKSMUKGKACKC-CYBMUJFWSA-N 309.373 3.138 0 40 DGAB COc1ccc(C(=O)N2CCN(c3cc(C)ccc3C)CC2)cc1 72331233 UVANHPFSAQJAJG-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB O=C(C1CC1)N1CCC(c2cncc(Oc3ccccc3)n2)CC1 72362045 XFIUITHTDXAPCG-UHFFFAOYSA-N 323.396 3.385 0 40 DGAB CCCOc1ncc(NC(=O)C2(OCC)CCCC2)cc1C 225898628 ZXXPHBWYAPUADQ-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB COC(=O)[C@H]1CC=CC[C@@]1(C)C(=O)N[C@H](C)c1ccccc1 45028018 VUAGMQXTURFJLM-DDUZABMNSA-N 301.386 3.009 0 40 DGAB C[C@@H](NC(=O)c1cnc(C2CC2)nc1)c1ccc(Cl)cc1 222599972 WVOWLMUAZQDXQN-SNVBAGLBSA-N 301.777 3.498 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NCC(C)C 224241777 QJLBTZOHEUEDLO-CYBMUJFWSA-N 324.852 3.239 0 40 DGAB c1ccc(-c2nnc([C@H]3CCN(Cc4ccccn4)C3)o2)cc1 49169351 OPGPUVICNWDFFI-HNNXBMFYSA-N 306.369 3.121 0 40 DGAB biogenic,in-vitro O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](O)C1 195530917 DLXTZBOBKPZXQX-HZSPNIEDSA-N 314.212 3.080 0 40 DGAB O=C1CCCN1CC[C@H]1CN(C(=O)c2ccoc2)c2ccccc21 81645466 GLLBOERRCSIDTB-AWEZNQCLSA-N 324.380 3.036 0 40 DGAB CC[C@H](C)[C@H](OC)C(=O)Nc1ccc(Br)c(C)n1 331194673 YHWAQLTZBNTICX-UFBFGSQYSA-N 315.211 3.152 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@H]3C[C@H]3C)cc2)C1 195529213 JGYJECHCDULUBN-OLMMMNRUSA-N 314.473 3.437 0 40 DGAB O=C(c1ccn(-c2cccc(C(F)(F)F)c2)n1)N1CCCC1 96414233 TVFXZNFMLQPBDL-UHFFFAOYSA-N 309.291 3.127 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccccc1)N(c1ccc(O)cc1)C2=O 95101379 QSQAGYOLQWFJHS-KRWDZBQOSA-N 305.337 3.174 0 40 DGAB Cc1nnc2ccc(N[C@H](C)c3c(F)cccc3Cl)nn12 96449434 CMLXFWALHLKBTO-MRVPVSSYSA-N 305.744 3.398 0 40 DGAB COC(=O)c1ccc(N[C@@H](C)c2csc(C(C)C)n2)nn1 96458997 MJKGDZOPSWDLAT-VIFPVBQESA-N 306.391 3.016 0 40 DGAB Cc1nc2c(s1)[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)CCC2 96476812 UCKITJSSOUWCIV-PWSUYJOCSA-N 319.396 3.055 0 40 DGAB CNCc1cccc(NC(=O)[C@@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 95427853 JLHGIQTYOUNHNM-HUUCEWRRSA-N 316.351 3.426 0 40 DGAB Cc1nc(C(C)(C)NCC(=O)N2C[C@@H](C)C[C@H](C)C2)sc1C 96443585 SAMAKDJDZBWTGJ-RYUDHWBXSA-N 323.506 3.089 0 40 DGAB C[C@H](CNC(=O)CCc1cscn1)Sc1ccccc1 96431714 FGIJVNLZOHLOBT-GFCCVEGCSA-N 306.456 3.373 0 40 DGAB CCc1cc(N2CCC[C@H]2c2nc(C(=O)O)cs2)ccn1 582549234 QPMIKEFAVCSFDR-ZDUSSCGKSA-N 303.387 3.140 0 40 DGAB Cc1cc(C(=O)N[C@@H](CO)c2cccc(Cl)c2F)cs1 585081957 JBPQWTFPNBKDOI-LBPRGKRZSA-N 313.781 3.312 0 40 DGAB CNc1cc([C@H]2CCCN2Cc2nc3ccccc3n2C)ccn1 257221407 DOYBVHGNSDEPMR-MRXNPFEDSA-N 321.428 3.347 0 40 DGAB Cc1cccnc1CN1CCCC[C@@H]1c1ccn2ccnc2n1 257239996 HRQWTMMOUQOVPB-QGZVFWFLSA-N 307.401 3.160 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)s1 257299557 RQNFYWSPNSZTIA-CYBMUJFWSA-N 303.431 3.183 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]1C1CCCC1 56133867 RIGGMIBQXVNYHP-QGZVFWFLSA-N 310.397 3.323 0 40 DGAB CC(C)(C)SCCCC(=O)N1CCC(c2ccn[nH]2)CC1 95436017 PIKMSAITAHAWGW-UHFFFAOYSA-N 309.479 3.428 0 40 DGAB O=C(NCc1ccsc1)Nc1ccnc(Cc2ccccc2)n1 95985622 FDWACFIYHKJJPZ-UHFFFAOYSA-N 324.409 3.451 0 40 DGAB O=C1S/C(=C/c2cccnc2)C(=O)N1CCc1ccccc1 7093933 FNRHPUQQEPZNHU-RVDMUPIBSA-N 310.378 3.361 0 40 DGAB CCCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](C)N2 5266253 WLLNNCBSDOITQQ-OCCSQVGLSA-N 313.405 3.200 0 40 DGAB COc1ccc([C@H]2O[C@@H](C)CN(C(=O)c3ccccc3)O2)cc1 268751 ZLCKOEAWKZDBGT-UGSOOPFHSA-N 313.353 3.187 0 40 DGAB Cc1ccccc1CC(=O)NC[C@@H](c1ccsc1)N(C)C 25330512 WDGUNFPYBLZRBD-INIZCTEOSA-N 302.443 3.018 0 40 DGAB Cc1cc(C)cc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)c1 5154425 XEFSFYKTTFZQNA-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB COc1cccc(S(=O)(=O)CCO[C@H]2CCCC[C@H]2C)c1 40153115 VMTNFAVJUSKIAK-CJNGLKHVSA-N 312.431 3.064 0 40 DGAB O=C(NC[C@H](O)c1cccc(Cl)c1)Nc1ccc(F)cc1 31097589 KSABTPSPWXHCRS-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB Cn1cnc2c1CCN(c1ncc(C(F)(F)F)cc1Cl)C2 69489674 WMHSALMXDZQAGL-UHFFFAOYSA-N 316.714 3.050 0 40 DGAB CN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccs1 28795842 PBBJIFXKGQWCTO-HNNXBMFYSA-N 310.382 3.335 0 40 DGAB Cc1c(C(=O)N2CCCC[C@@H]2C2OCCO2)oc2ccccc12 69490743 BQSTWYSKNRPPMP-CQSZACIVSA-N 315.369 3.109 0 40 DGAB CC(=O)c1nnc(-c2ccc(C)cc2)n1Nc1ccc(F)cc1 36649180 DRIQKMOZCHQGFS-UHFFFAOYSA-N 310.332 3.470 0 40 DGAB Cc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1 1368901 OFXYINZFIUTUGW-UHFFFAOYSA-N 309.251 3.075 0 40 DGAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@@H]3C[C@@H]3C)cc12 45762250 PSWWGQJGCGQJPZ-JOYOIKCWSA-N 301.342 3.214 0 40 DGAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 4915804 QUBMMHUOTQYUMC-RGJFDMQWSA-N 320.473 3.296 0 40 DGAB Cc1ccc(NC(=O)CC2(CC(=O)N(C)C)CCCC2)cc1 352824 SYALQDCLPBKQNH-UHFFFAOYSA-N 302.418 3.362 0 40 DGAB COc1ccc(CNC(=O)c2csc3c2CC[C@H](C)C3)cn1 32873803 AIYOTHRPELPRNL-NSHDSACASA-N 316.426 3.207 0 40 DGAB Cc1cccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1 530613 YXVFVYVRLIAYDJ-AWEZNQCLSA-N 305.381 3.402 0 40 DGAB CCCOc1ccc(C(=O)NCc2c(C)nn(CC)c2C)cc1 28226313 MWXNTAWXSZRXPJ-UHFFFAOYSA-N 315.417 3.239 0 40 DGAB COc1ccc(Br)cc1CNCc1ccc(C)cn1 89652282 UGNMFRMMZDEZLV-UHFFFAOYSA-N 321.218 3.451 0 40 DGAB CN(Cc1cc2ccccc2n(C)c1=O)C(=O)Nc1ccccc1 12321524 WYHFNALIYOUYQD-UHFFFAOYSA-N 321.380 3.202 0 40 DGAB O=c1c2ccccc2nnn1Cc1c(Cl)ccc2cccnc12 42152697 HIRFRSKNTBOZDN-UHFFFAOYSA-N 322.755 3.041 0 40 DGAB O=C1C[C@@H](Cc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 103442130 ZVFRVZZOLCOWHQ-GFCCVEGCSA-N 303.745 3.051 0 40 DGAB Cc1cc(C)nc(NC[C@@H](c2ccccc2Cl)N(C)C)n1 24053993 QPWHCWHWZOMFDQ-HNNXBMFYSA-N 304.825 3.462 0 40 DGAB Cc1sc2ncn(CC(=O)c3cccs3)c(=O)c2c1C 1290880 WONUUDLMEBWDAW-UHFFFAOYSA-N 304.396 3.019 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCN(c2ccccc2)CC1 24772048 HMSSGRUSEAITHE-HXUWFJFHSA-N 320.436 3.455 0 40 DGAB O=C(NCc1ccccc1-n1ccnc1)c1ccc(Cl)cc1 1395740 UDCPADWBHOPVHF-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Nc1cc(-n2cc(Br)cn2)cc(C(F)(F)F)c1 116937165 BJSXRPOOLXFSDZ-UHFFFAOYSA-N 306.085 3.236 0 40 DGAB CC(=O)c1csc(NC(=O)CCCOc2ccccc2)n1 25256282 LBCZOOPUWOKCOE-UHFFFAOYSA-N 304.371 3.143 0 40 DGAB Cc1cccnc1NC(=O)CCC(=O)c1ccc2c(c1)CCC2 27652405 KOAWJSZVVQTGHK-UHFFFAOYSA-N 308.381 3.480 0 40 DGAB CCCOc1ccc(NC(=O)N2CCC[C@@H](O)C2)cc1Cl 48123311 KCJDOZKMPMDBEX-GFCCVEGCSA-N 312.797 3.117 0 40 DGAB CCN(CC)C[C@@H](C)OC(=O)c1ccc(Br)cc1 2180630 YGEFIJNKXDWELI-LLVKDONJSA-N 314.223 3.336 0 40 DGAB CC[C@H](OC)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 58429775 XARMYGRTDXFMBH-INIZCTEOSA-N 313.401 3.250 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(F)cc(F)c1 58667915 ONYDRGWEFFWRAT-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB CC[C@H](NC(=O)CCNC(=O)c1ccsc1)c1cccs1 48279087 WHQRVKIPIQUFKS-LBPRGKRZSA-N 322.455 3.197 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)OCC(F)(F)F 48344116 YOTPMRIZWUFSKY-NSHDSACASA-N 320.311 3.095 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)Nc2cc(F)cc(F)c2)no1 12857397 DSLSYXQMTFCARQ-OAHLLOKOSA-N 321.327 3.037 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)c1c[nH]c2ccccc12 13113125 IEDAPZSCFRXLGG-BETUJISGSA-N 314.385 3.114 0 40 DGAB CCc1cccc(NC(=O)COc2ccccc2NC(C)=O)c1 6064031 OBHMVPHRVATERK-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB CC(C)NC(=O)CSCc1ccc(F)cc1Br 65553491 WEJHQILUGAMWJR-UHFFFAOYSA-N 320.227 3.346 0 40 DGAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccncc3)S2)cc1 408776416 OHDRRSNBFBDGJL-HKBKRHGFSA-N 311.410 3.244 0 40 DGAB N=c1sc(-c2ccccc2F)nn1CC(=O)c1cccs1 4600525 UVHWWSXLDZORQY-UHFFFAOYSA-N 319.386 3.175 0 40 DGAB CCc1ccccc1N1C(=O)[C@@H]2Cc3ccccc3CN2C1=O 5500131 CWNVXERBDHZRRM-KRWDZBQOSA-N 306.365 3.143 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(N)=O 5866730 BAYLKAMUBVOCNN-JTQLQIEISA-N 320.418 3.009 0 40 DGAB CCc1ccc(CNC(=O)COC(=O)c2cccc(C)c2)cc1 67197803 NJETWQICRDHEIG-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB CCOc1ccc(NC(=O)CSc2nccn2C2CC2)cc1 8725642 ORRAPEFPEBNRHV-UHFFFAOYSA-N 317.414 3.348 0 40 DGAB C[C@H]1CN(C(=O)NC(C2CC2)C2CC2)C[C@H](c2ccccc2)O1 67591097 XYRKAOROPKJVJK-SUMWQHHRSA-N 314.429 3.347 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(NC(=O)C2CC2)s1 8745321 AQNOTPSSQJSQEI-UHFFFAOYSA-N 304.346 3.488 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)no1 67888534 TZMHAERUKHOXIJ-LBPRGKRZSA-N 319.792 3.305 0 40 DGAB Cc1nnc([C@@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 71819476 SBKSUPGUZNDPLY-YGRLFVJLSA-N 307.781 3.166 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 9154918 AVEWQCPXVINQOD-YOEHRIQHSA-N 318.442 3.203 0 40 DGAB CC(C)(C)OC(=O)NCC1(Cc2ccccc2)CCNCC1 96029500 LYXFKZZJOVSGRL-UHFFFAOYSA-N 304.434 3.124 0 40 DGAB CCOc1ccccc1N(Cc1ccc(C)cc1)S(C)(=O)=O 9426027 XHPXZOHRPLGFNV-UHFFFAOYSA-N 319.426 3.360 0 40 DGAB COC(=O)c1cc(CN[C@H]2CCc3c(OC)cccc32)oc1C 97035015 JEOYLQQNXIJSET-INIZCTEOSA-N 315.369 3.160 0 40 DGAB COc1ccnc(CSCc2ccc(C(=O)N(C)C)cc2)c1 97161776 JFUSZWXQBRXOMM-UHFFFAOYSA-N 316.426 3.225 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)Nc2ccncc2C)o1 97100035 HRSZYTHEDIRBKC-OAHLLOKOSA-N 315.373 3.151 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@H](C)Cc2c(C)noc2C)c1 97143064 RLYCBHYVXKKIGX-LLVKDONJSA-N 302.378 3.056 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2c(O)cccc2F)cc1 72301028 KLDJPHIVAKJSAN-MDZDMXLPSA-N 307.346 3.252 0 40 DGAB Cc1noc([C@H](C)N2CCC(Sc3ccccn3)CC2)n1 72308943 XDCNNWJOTAVEPC-NSHDSACASA-N 304.419 3.091 0 40 DGAB O=C(NOCc1ccccc1)Nc1ccc2c(c1)OCCCO2 76035717 XQSRRMZYKZMXJF-UHFFFAOYSA-N 314.341 3.101 0 40 DGAB Cc1cnc(CSc2nnc(CCc3ccccc3)o2)cn1 76065443 IJVQGQMOYMWGSS-UHFFFAOYSA-N 312.398 3.246 0 40 DGAB C[C@]1(CCCO)CCCN1CCCc1nc2ccccc2o1 95454748 AWIOUDUAJVVFAP-GOSISDBHSA-N 302.418 3.387 0 40 DGAB CC(C)c1nc(NC(=O)c2cc3cc(Cl)ccc3n2C)n[nH]1 79488056 IKROTXJNCGHTMP-UHFFFAOYSA-N 317.780 3.326 0 40 DGAB COC[C@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccc(C)o1 175503807 IEJFXRNIXPEZAZ-WFASDCNBSA-N 318.373 3.042 0 40 DGAB CN1CCC(NC(=S)N2CCC[C@H]2CC2CCCCC2)CC1 60837483 XYMAPTFCUNBGNI-KRWDZBQOSA-N 323.550 3.390 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)/C=C/c1cnn(C)c1 60611148 GIFDIJXGYOOVMG-QPJJXVBHSA-N 309.822 3.197 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)o1)C(Cl)(Cl)Cl 39756982 QNKAQWJPYHDUSB-UHFFFAOYSA-N 306.536 3.045 0 40 DGAB CCOC(=O)c1cc(I)c(C)cc1C 39951656 FLZCCFKUNNZOTA-UHFFFAOYSA-N 304.127 3.085 0 40 DGAB O=C(Nc1ccccc1O)c1ccc(OC[C@H]2CCCO2)cc1 36626751 ZZOGEVLISQKXJC-OAHLLOKOSA-N 313.353 3.202 0 40 DGAB COc1cccc(-c2nnc(-c3c(C)nc4ccccn34)o2)c1 216610947 QGSSLYLHPCMSMM-UHFFFAOYSA-N 306.325 3.368 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@H]2CCCc3sccc32)cc1 316598701 GZKLVAFJIQUUAF-AWEZNQCLSA-N 315.394 3.183 0 40 DGAB Fc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 72389901 YGJZQWOLNDWXFI-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB CCOc1ccc(C)cc1S(=O)(=O)NCc1ccc(C)cc1 72414410 AMLBQTHAOSYASU-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cccc(N3CCCCCC3)c2)CCO1 77723848 AMGXEAGNEGPBDX-OAHLLOKOSA-N 317.433 3.320 0 40 DGAB CC(C)Cc1nnc2sc([C@@H](C)n3ccnc3C(C)C)nn12 71762846 AHEHDZNIRKKVDH-LLVKDONJSA-N 318.450 3.314 0 40 DGAB COc1ccc(-c2nc(-c3ccc(N)c(C)c3)no2)cc1OC 225173789 OGVXAJRZIBOOSC-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB COc1ccc(C(=O)Nc2nnc(SC)s2)cc1Cl 40114460 UFPAKBSZGMRHDG-UHFFFAOYSA-N 315.807 3.174 0 40 DGAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CC 223653363 SREHCDYZFNJMQH-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccccc1Cl 225718620 DOHYFJIHAOAJIJ-UHFFFAOYSA-N 312.756 3.294 0 40 DGAB CCc1cnc(CCNC(=O)Cn2ccc3ccccc32)s1 81204570 JSPCVQCMKICTDQ-UHFFFAOYSA-N 313.426 3.019 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](c2nc3ccccc3s2)C1 49168687 DUEYCYDADZAAHY-ZDUSSCGKSA-N 309.394 3.321 0 40 DGAB biogenic,in-vitro CCOC(=O)C1CCN(C(=O)CCc2ccc(C)c(C)c2)CC1 225278482 GCWPMGGOXCSUBD-UHFFFAOYSA-N 317.429 3.038 0 40 DGAB Cc1ccc(C)n1CCCC(=O)Nc1ccc2c(c1)OCCO2 49031043 DOIYMMKFYMVJQC-UHFFFAOYSA-N 314.385 3.295 0 40 DGAB c1cncc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)c1 49169703 OWNZSBFBGAKWTR-ZDUSSCGKSA-N 312.398 3.183 0 40 DGAB biogenic,in-vitro O=C(CCC(=O)c1ccccc1)O[C@@H]1CCC[C@H]1n1cccn1 96441936 PQOCNOXVPRYOTQ-NVXWUHKLSA-N 312.369 3.183 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1c(F)cccc1F)c1ccncc1Cl 96443692 DALMITNRLNPDLE-TVQRCGJNSA-N 308.715 3.299 0 40 DGAB C[C@@H](Nc1cccc(C(=O)N2CCCC2)c1)C1CCOCC1 97231999 BZSFZZBNSPLHKD-CQSZACIVSA-N 302.418 3.150 0 40 DGAB c1ccc([C@@H](N[C@@H]2CCc3[nH]ncc3C2)c2ccccn2)cc1 97233935 YSTJZFSTTLXXGI-VQIMIIECSA-N 304.397 3.041 0 40 DGAB Cc1c[nH]c([C@@H]2COCCN2C(=O)c2csc(C(C)C)c2)n1 257321822 WDJLBFADCZBKKK-ZDUSSCGKSA-N 319.430 3.117 0 40 DGAB C[C@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)nc1Cl 585086145 MKWKWBJUHMVTOD-QMMMGPOBSA-N 318.730 3.338 0 40 DGAB Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)[C@@H]1CCCO1 585126254 UGPDRBVPNQQQLW-ZDUSSCGKSA-N 305.374 3.068 0 40 DGAB CO[C@H]1CSC2(C1)CN(C(=O)c1oc3ccccc3c1C)C2 253592438 ZMYGBNGTJAZLLL-GFCCVEGCSA-N 317.410 3.088 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257212744 CESYCWZRINTMBY-AWEZNQCLSA-N 315.442 3.185 0 40 DGAB COc1ccc(NC(=O)c2ccc(N(C)C)c(C)c2)cc1OC 96580965 SZPRJMTTWVFGGS-UHFFFAOYSA-N 314.385 3.331 0 40 DGAB CC(C)(C)c1cc2c(O)nc(C[C@H](O)C(F)(F)F)nc2s1 585137219 MNFGGSMCLVLEGP-ZETCQYMHSA-N 320.336 3.160 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)CCCc2nc(C(C)(C)C)no2)o1 42080703 OZDIVYCTHKJVNO-GFCCVEGCSA-N 319.405 3.469 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1ccc(Cl)s1 48795622 QJAOEFAOCKIZHQ-SNVBAGLBSA-N 311.794 3.029 0 40 DGAB COc1ccc(Cn2c(SC)nc3ccsc3c2=O)cc1 425422 JVPFVSRAZWBSME-UHFFFAOYSA-N 318.423 3.237 0 40 DGAB CCS[C@H]1CC[C@]1(O)CNC(=O)c1sccc1C1CC1 89275018 HQZJOFUPDIMWEY-WFASDCNBSA-N 311.472 3.002 0 40 DGAB O=C(Cc1cccc2ccccc12)N1CC(Oc2ccncc2)C1 589988585 QJVXFOWBNYMFOE-UHFFFAOYSA-N 318.376 3.067 0 40 DGAB Cc1cc(=O)[nH]c2sc(C(=O)c3ccc(Cl)cc3)c(N)c12 5401618 VAJAKTZNYZTXNG-UHFFFAOYSA-N 318.785 3.365 0 40 DGAB Cc1ccc([C@H]2NC(=O)c3cnn(-c4ccccc4)c3N2)cc1 12447697 FUNYIAJXEZCHTM-MRXNPFEDSA-N 304.353 3.035 0 40 DGAB CC(=O)c1csc(NC(=O)c2ccc3c(c2)CCCC3)n1 15200879 BPJOLUBIHJHJIG-UHFFFAOYSA-N 300.383 3.477 0 40 DGAB COc1ccc(/C=C2\SC(=O)N(C(C)C)C2=O)c(OC)c1C 6473109 DYIRFRNUOINTCD-JYRVWZFOSA-N 321.398 3.457 0 40 DGAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O 4515329 YKPWFAVCIRGJGH-MGPLVRAMSA-N 324.783 3.480 0 40 DGAB Brc1ccc(C2=N[C@@H](Cc3ccccc3)CO2)nc1 1988188084 RAKCIORFQZQCIL-ZDUSSCGKSA-N 317.186 3.232 0 40 DGAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccccc1F 11694652 VCHJJTOFWXCYQV-UHFFFAOYSA-N 303.318 3.113 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H]1C[C@@H]2CC[C@@H]1C2 100159052 GHTFUCHQHVWZKA-MGPQQGTHSA-N 310.397 3.211 0 40 DGAB CC(=O)OCC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 77043 TZJYZHDUJSKEKP-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB O=C(COCc1ccccc1)NCc1ccc(-c2ccoc2)o1 575610504 OVURHAQMEFYLEU-UHFFFAOYSA-N 311.337 3.373 0 40 DGAB O=C(N[C@H]1CCC12CCOCC2)c1ccc(-n2cccc2)cc1 585409480 SZYGRRFNRIBRGU-KRWDZBQOSA-N 310.397 3.166 0 40 DGAB CCc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1 5027299 KXGYRLTWGQHTPV-SFHVURJKSA-N 324.405 3.134 0 40 DGAB O=C(NCCCn1cccn1)c1cccc2c3c([nH]c12)CCCC3 30165118 QJNHMOSNCKBCOO-UHFFFAOYSA-N 322.412 3.063 0 40 DGAB Cc1cc(=O)n2c3ccccc3n(Cc3ccc(F)cc3)c2n1 40484928 LBFUJLKEZOLDQB-UHFFFAOYSA-N 307.328 3.145 0 40 DGAB CC(C)c1noc(CCC(=O)NCc2ccc(Cl)cc2)n1 31550665 VGYFEUOFWWEWGA-UHFFFAOYSA-N 307.781 3.095 0 40 DGAB C[C@@H](NC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)[C@@H]1CCCO1 45683604 DDLATLQDGLNWQJ-PEQKASONSA-N 320.477 3.412 0 40 DGAB CC1(C)[C@H]2CC[C@](C)(C2)[C@H]1NS(=O)(=O)c1ccc(F)cc1 4343325 PBMVETGVYGTZMP-HZUKXOBISA-N 311.422 3.319 0 40 DGAB CNc1nc(N)c(N=O)c(Nc2ccc(Br)cc2)n1 4775237 UMSTYZICPACHCX-UHFFFAOYSA-N 323.154 3.005 0 40 DGAB Cc1[nH]c2ccc(C(=O)NCC(=O)Nc3ccccc3)cc2c1C 40555173 CDTBJDIDMHDWHD-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1 11750167 AKHDHOVHEMQTAW-UHFFFAOYSA-N 308.381 3.107 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccc(F)cc1)CC(O)=N2 20727324 QYMUXOXIEJCXGG-ZDUSSCGKSA-N 323.331 3.233 0 40 DGAB O=C(NC1CC1)[C@H](Sc1nccn1C1CC1)c1ccccc1 11894558 MMLSJGOCEJXXQS-OAHLLOKOSA-N 313.426 3.330 0 40 DGAB Cn1nc(-c2ccc(Br)cc2)c2ccccc2c1=O 366866 GFFLJIAPGOHDSG-UHFFFAOYSA-N 315.170 3.363 0 40 DGAB O=C(CCN1CCCCC1)Nc1c2c(cc3c1CCC3)CCC2 347600 XJBWCTRAAVIUIR-UHFFFAOYSA-N 312.457 3.479 0 40 DGAB C[C@H](Sc1nnc2ccccn12)c1nc(-c2ccco2)no1 29738654 AIPARNNODNHRAJ-VIFPVBQESA-N 313.342 3.226 0 40 DGAB COc1cc(CN(C)[C@H](C)c2nnc(C)o2)ccc1SC 69417369 PBPOBUBWFXBJIG-SNVBAGLBSA-N 307.419 3.302 0 40 DGAB CCOc1cc(CNC[C@@H](C)O)ccc1OCc1cccs1 8254745 UDNLOXJGNCHVNV-CYBMUJFWSA-N 321.442 3.196 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)OC)cc1 479595 HCRUNNDNQPASSB-INIZCTEOSA-N 313.353 3.269 0 40 DGAB CC1(C)CC(=O)c2cnc(NC3Cc4ccccc4C3)nc2C1 10494396 GYGSCNCINTYSLF-UHFFFAOYSA-N 307.397 3.211 0 40 DGAB O[C@H]1CC[C@H](Nc2nc(-c3ccccc3)nc3[nH]ccc23)CC1 100002114 RBZNJGHIKXAKQE-OKILXGFUSA-N 308.385 3.340 0 40 DGAB in-vitro CCCN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 565267 NGJKYDCMESZUJS-HXUWFJFHSA-N 320.392 3.469 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@@H]1Cc1cccc(F)c1 46626810 RFCUSXYXDJDBPL-IAGOWNOFSA-N 305.393 3.318 0 40 DGAB COc1c(C)cc(Br)cc1C(=O)N1CCCCC1 59843538 WPCDINUJADCLDZ-UHFFFAOYSA-N 312.207 3.392 0 40 DGAB COCCc1noc(CN2[C@@H](C)CCC[C@H]2c2ccccc2)n1 75109061 ISLWXGMAOYUMJN-HOCLYGCPSA-N 315.417 3.374 0 40 DGAB COc1ccc([C@@H]2C[C@H]2C(=O)N(Cc2cccnc2)C2CC2)cc1 69375863 KGMPNMWHRPVIMD-RBUKOAKNSA-N 322.408 3.385 0 40 DGAB Cc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2C)C1=O 101275266 VMWKRWXLXQPQDG-INIZCTEOSA-N 308.381 3.356 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20040915 PULBMXAFOLIKBA-CHWSQXEVSA-N 317.360 3.479 0 40 DGAB CCC1(CNC(=O)c2cc(=O)[nH]c3ccc(Cl)cc23)CCC1 75108253 UNTDHHSFGYDGCY-UHFFFAOYSA-N 318.804 3.492 0 40 DGAB CNc1nc2c(s1)[C@H](c1ccc(OC(C)C)cc1)CC(=O)N2 61720072 LQMXGFWEPYKJJK-LBPRGKRZSA-N 317.414 3.446 0 40 DGAB COC(=O)c1cc2cc(NC(=O)c3coc(C)n3)ccc2s1 22538555 ZVSGOMXAGATMSK-UHFFFAOYSA-N 316.338 3.237 0 40 DGAB CCOc1ccc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 12540060 YBXPHOULPUITNP-ZDUSSCGKSA-N 323.396 3.382 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(F)c1 1919018 WKWQZMISTXCXAH-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB O=C(O)c1cn(-c2ccccc2)nc1-c1ccc2c(c1)OCCO2 27642709 AGRPADYRZSJVFI-UHFFFAOYSA-N 322.320 3.009 0 40 DGAB Cc1cc(C(=O)NC(C)C)ccc1NCc1nc(C2CC2)no1 58157960 KSLATOBDJYRZHL-UHFFFAOYSA-N 314.389 3.006 0 40 DGAB CC[C@H](NC(=O)N1CCc2c(cccc2NC(C)=O)C1)C(C)C 58172301 ZDEQKTWTWHNNTK-INIZCTEOSA-N 317.433 3.147 0 40 DGAB CCCOc1cccc(NC(=O)NCc2ccccc2CO)c1 58356931 IHWZLZWXASRAIB-UHFFFAOYSA-N 314.385 3.289 0 40 DGAB CC[C@H]1Oc2cc(O)ccc2N(Cc2ccccc2F)C1=O 36261101 JOKAMYGUIJKFPH-OAHLLOKOSA-N 301.317 3.236 0 40 DGAB Cc1ccccc1CNC(=O)c1cccc(Nc2ncccn2)c1 28063806 TVGDKYUJLILVRE-UHFFFAOYSA-N 318.380 3.459 0 40 DGAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118933295 GKKUXCSIYRLCSI-UPYZFMFOSA-N 320.473 3.032 0 40 DGAB COc1ccccc1OCCNC(=O)C(C)(C)c1ccccc1 12754258 PKDXRQSZGTWVDV-UHFFFAOYSA-N 313.397 3.168 0 40 DGAB Cn1c(SCc2ccccn2)nnc1-c1ccc(F)cc1 12723906 UNACCHRYGSCDIT-UHFFFAOYSA-N 300.362 3.309 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc2nccnc2c1 3453734 RBWDIAQASDAEAH-UHFFFAOYSA-N 321.336 3.059 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cccs1)c1ccccc1Cl 13172606 IESUASLYBXFTQY-NSHDSACASA-N 309.774 3.347 0 40 DGAB Cc1ccc(CN2C(=O)c3ccccc3N[C@H]2c2ncc[nH]2)cc1 69656730 HJIJFECMSMKTGU-GOSISDBHSA-N 318.380 3.485 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)c1 20110166 GSVJAVFSHGLDDR-LBPRGKRZSA-N 311.447 3.110 0 40 DGAB C[C@@H]1COCCN1C(=O)c1ccc(Sc2ccccn2)cc1 65529098 IZXDAURIPKNNTF-CYBMUJFWSA-N 314.410 3.094 0 40 DGAB O=C(Nn1cnc2ccccc21)c1cc2ccccc2cc1O 14196673 YDSDUSDDRYWSJU-UHFFFAOYSA-N 303.321 3.279 0 40 DGAB O=C(NCC(F)(F)F)[C@H]1C[C@@H]1c1ccccc1Br 65606278 CFWPFAGYMZRSRF-BDAKNGLRSA-N 322.124 3.231 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(F)cc1 6551426 RYKMFTQCLRIEBO-UHFFFAOYSA-N 300.333 3.218 0 40 DGAB CCNC(=O)COc1ccc(-c2nc3ccccc3s2)cc1 6551927 DUJSPMYMVJMAGI-UHFFFAOYSA-N 312.394 3.478 0 40 DGAB O=C1CCN(C(=O)OCc2ccccc2)C[C@H]1Cc1ccccc1 27626564 LQKIVCPLRBDVNT-GOSISDBHSA-N 323.392 3.457 0 40 DGAB CCCCCc1nc2ccc(S(=O)(=O)N(CC)CC)cc2[nH]1 6650875 RVLFJKDPUUSTDF-UHFFFAOYSA-N 323.462 3.326 0 40 DGAB O=C(Cc1cccs1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 66707584 MDIFOVCNJMOVOK-OAHLLOKOSA-N 323.364 3.169 0 40 DGAB CS(=O)(=O)Cc1ccc(C(=O)NC2CCCCCCC2)cc1 15080942 HUZGIDGIDHQLRC-UHFFFAOYSA-N 323.458 3.074 0 40 DGAB COc1ccc(COC[C@H](O)CNC2CCCCCCC2)cc1 6941321 CUETUGYOIAAKHY-GOSISDBHSA-N 321.461 3.275 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1 7405092 FFQBLZAOWJNEBK-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)NC2CCC(C)CC2)c1 7439127 RDJOHEWDDOICQV-UHFFFAOYSA-N 303.402 3.155 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1OC 15807569 PMZRMHUEHAVYEF-LLVKDONJSA-N 318.398 3.218 0 40 DGAB CC[C@H](C)c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 7736501 BGFNWMBMAJBPIX-NSHDSACASA-N 322.455 3.247 0 40 DGAB Cc1cnc(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cn1 7987554 PRGWNICJMNYCRT-GOSISDBHSA-N 317.392 3.499 0 40 DGAB Cc1cc(CC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)no1 81393151 XGADRQHIJLCTEM-OAHLLOKOSA-N 306.312 3.167 0 40 DGAB COc1ccc(NC(=O)COc2ccc3ccccc3c2)cn1 8019348 LJDFGVWVHTXNNN-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB Cn1ccnc1CN[C@@H](c1c(F)cccc1F)C(F)(F)F 96002834 HAKWIKHUWHUTAK-LBPRGKRZSA-N 305.250 3.092 0 40 DGAB Cc1n[nH]c(SCC(=O)Nc2c(Cl)cccc2Cl)n1 19849884 OTLIRURYMGRYJL-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB Cc1cc(C)n(Cc2cccc(NC(=O)c3cccnc3)c2)n1 71888887 CECWODNGENNDMN-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CCc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)[nH]n1 86401710 LZTMOFNDYKXQLJ-LLVKDONJSA-N 302.378 3.000 0 40 DGAB CC[C@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 9691863 QEYFYJYQAMOVAW-NSHDSACASA-N 317.458 3.238 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NCc2nnc(C3CCC3)o2)no1 71910667 LTECMJYCIBEKQR-UHFFFAOYSA-N 319.409 3.043 0 40 DGAB Cc1csc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)n1 9723448 DPAWXBFYOHCKTJ-GQCTYLIASA-N 316.382 3.265 0 40 DGAB C[C@H]1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCC1=O 89920204 ISDTVTLGNQZKTK-MAUKXSAKSA-N 313.441 3.473 0 40 DGAB c1ccc2c(c1)CC[C@H]2Nc1ccc(CN2CCOCC2)cn1 97038813 ZGIOGJVQYFOUGG-GOSISDBHSA-N 309.413 3.013 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(C[C@@H]1CCOC1)C1CC1 84393378 FUCXPXTYPKWUCJ-JCURWCKSSA-N 319.832 3.471 0 40 DGAB O=c1[nH]c(/C=C/c2ccc(F)c(Cl)c2)nc2cnccc12 97229772 SGMQZHBARTYPFG-DUXPYHPUSA-N 301.708 3.281 0 40 DGAB CC(=O)NC(C)(C)c1noc(C[C@H]2CCCc3ccccc32)n1 72547839 KRPZHFWGMIBNRS-CQSZACIVSA-N 313.401 3.103 0 40 DGAB CC(=O)Nc1ccccc1CNC(=O)N1CCC[C@@H]2CCC[C@H]21 95404718 CFENIGGUVJLTGR-WMLDXEAASA-N 315.417 3.119 0 40 DGAB O=[S@](Cc1cccc(OC(F)F)c1)C[C@@H]1CCCCO1 95407410 WTHJBCXEJUNQIX-RBZFPXEDSA-N 304.358 3.106 0 40 DGAB CC[C@@H]1CCc2c(sc(=O)n2Cc2nccn2C(F)F)C1 84735497 MVWODBDLLGTLSI-SECBINFHSA-N 313.373 3.065 0 40 DGAB CCn1nc(C)c(/C=C/c2ncc(C(=O)O)c(C(C)C)n2)c1C 78869149 BNNJWBPEHAYCSI-BQYQJAHWSA-N 314.389 3.302 0 40 DGAB O=c1sc2ccccc2n1Cc1nnc(Cc2ccccc2)o1 74783753 ZMFKLOOXIILXRO-UHFFFAOYSA-N 323.377 3.085 0 40 DGAB CCC[C@H]1CN(C(=O)c2cnc(-c3ccco3)s2)CCO1 89469524 WUOQJWNJHGVLGR-NSHDSACASA-N 306.387 3.044 0 40 DGAB COC(=O)c1cc2c(C)n(C)c(C)c2cc(C(=O)OC)c1=S 218891215 UJUUHOLXMBIGBD-UHFFFAOYSA-N 319.382 3.098 0 40 DGAB O=C(Nc1cccc(-n2cnnc2)c1)c1cc(Cl)ccc1F 33201234 XXGAVLMRJODRLR-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB COc1ccc(Cl)cc1C(=O)N1CCOc2ccccc21 30577921 SGSYHTTUKWCQRO-UHFFFAOYSA-N 303.745 3.388 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)cc1 74605364 QGGPFYIXHVFCNI-IBGZPJMESA-N 322.408 3.275 0 40 DGAB CCCCCC(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 79095355 YSFKPIQOOFPUPU-UHFFFAOYSA-N 317.433 3.295 0 40 DGAB COc1cc(Br)c(CNC(C)(C)C)cc1OC 35222796 MXLQHILTLDYTIC-UHFFFAOYSA-N 302.212 3.354 0 40 DGAB C[C@@H](c1cccc(O)c1)N(C)Cc1nccn1CC(F)(F)F 71897184 KHRIRFLWEYATER-NSHDSACASA-N 313.323 3.344 0 40 DGAB O=S(=O)(Nc1ccncc1)c1ccc(Cl)cc1Cl 72414392 DGXFFZRLPUXOBI-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB c1ccc2[nH]c([C@H]3CCCN(CCc4ccncc4)C3)nc2c1 78922735 BJQLAEUEYAUEHE-INIZCTEOSA-N 306.413 3.380 0 40 DGAB O=C(c1cscn1)N(Cc1ccsc1)c1cccnc1 193515724 PEVHHTIHPZTIEV-UHFFFAOYSA-N 301.396 3.447 0 40 DGAB Cc1oc(-c2cccc(CO[C@@H]3CCOC3)c2)cc1C(=O)O 574531681 FKFCEKKBBLSGBH-CQSZACIVSA-N 302.326 3.259 0 40 DGAB Cc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 49169706 ATRQEGREZCUSLZ-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB biogenic,in-vitro O=C(Nc1ccc2cn[nH]c2c1)c1ccc(Cn2ccnc2)cc1 42383579 NBZQPVDBVIXUFM-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB Cc1nc(C)c(CN(C)Cc2ccc3c(c2)OCCO3)s1 525633049 DYHYTUZHJQJPAO-UHFFFAOYSA-N 304.415 3.163 0 40 DGAB Cc1ccnc(NC(=S)N[C@H](C)COc2ccccc2C)c1 225638709 WJWRZJHFTBQIPX-CQSZACIVSA-N 315.442 3.452 0 40 DGAB COc1ccc(CC(=O)N(C)Cc2ccc(C)cc2)cc1OC 45825036 ORXIKOIYAOHACG-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2cccnc2)cc1Cl 225429786 YJVVYTWACJVZHO-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB OCc1ccc(Cl)c(NCc2nccn2CC(F)(F)F)c1 96427501 VIJLRHUNXJPAPV-UHFFFAOYSA-N 319.714 3.203 0 40 DGAB O=C(CCc1ccco1)OC1CCN(Cc2ccsc2)CC1 96442744 IXLDXWOAXHBNBA-UHFFFAOYSA-N 319.426 3.482 0 40 DGAB O=C(c1cccs1)N1CCCN(C[C@@H]2CC=CCC2)CC1 93385723 QTELFGLGIGUOAW-OAHLLOKOSA-N 304.459 3.252 0 40 DGAB COCC[S@@](=O)Cc1cccc(NC(=O)CC2CCCC2)c1 96408259 XDMFZIKBVLNIBP-QFIPXVFZSA-N 323.458 3.101 0 40 DGAB Cc1c(Cl)cccc1N1C[C@H](C(=O)NC2CCCC2)CC1=O 96686118 FTXXISRVXKPUQI-GFCCVEGCSA-N 320.820 3.060 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@H]2CCc2ccncc2)c1 257315171 VAFFKSILRLZIAV-SFHVURJKSA-N 324.424 3.257 0 40 DGAB O=C(c1ccc(OCC2(Br)CC2)cc1)N1CCCC1 585137454 ZWLBNCUFUUCTNR-UHFFFAOYSA-N 324.218 3.229 0 40 DGAB C[C@@H](NCCCNc1ccccc1)c1cccc(-n2cnnc2)c1 585134920 PHDAVBFUKATKJU-MRXNPFEDSA-N 321.428 3.420 0 40 DGAB C[C@H](O)CCCCCC(=O)N1CCO[C@](C)(c2ccccc2)C1 585132001 MOSLGMABLZKHEK-LPHOPBHVSA-N 319.445 3.092 0 40 DGAB COc1cnc(F)c(CN[C@H](C)[C@@H](c2ccccc2)N(C)C)c1 585117686 SJHCXAIUUSSYJZ-DYVFJYSZSA-N 317.408 3.010 0 40 DGAB Cc1cccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)c1 61743 NUFPTZKJLOUZSL-RIYZIHGNSA-N 307.305 3.068 0 40 DGAB CCOC(=O)[C@@H](CC(=O)O)C1c2ccccc2-c2ccccc21 5830747 JWOAAWJDSIGVFF-INIZCTEOSA-N 310.349 3.453 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccco3)OC2=O)cc1Cl 5000704 IAUOGQAEYHLABN-DHZHZOJOSA-N 303.701 3.286 0 40 DGAB O=C1[C@@H]([C@H](O)c2ccccc2)CCC[C@@H]1[C@@H](O)c1ccccc1 5064246 ITPSDCDUMAWRTR-MKXGPGLRSA-N 310.393 3.439 0 40 DGAB COC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 5880461 BRCVQBJELUPXOE-UHFFFAOYSA-N 300.314 3.126 0 40 DGAB COC(=O)[C@H](C)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 11766125 CWDYXYIEMUYUFT-LBPRGKRZSA-N 324.332 3.400 0 40 DGAB CCCCCNC(=O)CCc1nc(-c2ccc(F)cc2)no1 17322701 LFPCIKNYDSFPSN-UHFFFAOYSA-N 305.353 3.115 0 40 DGAB O=c1[nH]c(SCc2cccc3ccccc23)nc2[nH]ncc12 4249711 DWSQSCPXGGDRTR-UHFFFAOYSA-N 308.366 3.092 0 40 DGAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1cccc2ccccc12 4322362 MFZAXXIWMFKGSC-GFOFROLCSA-N 307.349 3.301 0 40 DGAB CC1(C)c2ccccc2N(CC(N)=O)[C@]12C=Cc1ccccc1O2 47906 MIUAWLSDZITJFD-FQEVSTJZSA-N 320.392 3.072 0 40 DGAB COc1cc(N[C@@H](C)c2nc(C(C)C)no2)cc(OC)c1OC 40496479 CYCPXJJDSKOZKB-JTQLQIEISA-N 321.377 3.392 0 40 DGAB c1ccc2c3c([nH]c2c1)[C@H]1[C@H]2CC[C@H]([C@@H]4CCCN[C@H]24)N1CC3 1657911 SBGPASZOVGSOFJ-CHBAHTGHSA-N 307.441 3.228 0 40 DGAB biogenic Cc1ccnc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)c1 248218 IUIWCUHBSZDXIF-INIZCTEOSA-N 317.433 3.050 0 40 DGAB CC(=O)CC[C@@]1(C)OC(=O)[C@H](C)[C@@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@@H]21 4974619 NHZLUFNTQGVTCV-DBNFNABESA-N 320.429 3.319 0 40 DGAB Cc1ccccc1OCC(=O)NCCOc1ccc(Cl)cc1 7270031 ZNZHSYIJKGVRBM-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB Cc1ccc(C)c(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)c1 386341 KPFYVWCRBRCDFB-QGZVFWFLSA-N 322.408 3.258 0 40 DGAB CN(C)c1cc(C(=O)N(Cc2ccccc2)CC(F)F)ccn1 96432663 VPWGHLMBZRAGKR-UHFFFAOYSA-N 319.355 3.055 0 40 DGAB CCOC(=O)C(C)(C)N(C)Cc1csc(-c2ccoc2)n1 75137499 ZBQXFLYMJBYNRS-UHFFFAOYSA-N 308.403 3.177 0 40 DGAB CCC1(CNC(=O)[C@H]2CCCCN2Cc2cccnc2)CCC1 75108383 BQMNXNCRDFMNKI-QGZVFWFLSA-N 315.461 3.133 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(F)cc1Cl 32995870 GQRJNDSZHOCVRD-LLVKDONJSA-N 321.735 3.049 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 75141207 GIYPIZPRRRJKOK-LLVKDONJSA-N 304.371 3.060 0 40 DGAB C[C@@H]1CCC[C@H](c2ccccc2)N1CCCN1CCOC1=O 75109385 HQAFTCYKIJCWSG-NVXWUHKLSA-N 302.418 3.444 0 40 DGAB COc1ccc([C@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 12062834 CBJCXRMJLGAESC-IBGZPJMESA-N 324.424 3.262 0 40 DGAB biogenic CC(C)CCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 507655 BKEXFKSRLHKXKM-INIZCTEOSA-N 321.417 3.341 0 40 DGAB COc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 2713200 VRDXOJFZTSAYLZ-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CCOC(=O)c1cnc2c(F)ccc(Br)c2c1O 103289257 XYYCVUGHMPPADO-UHFFFAOYSA-N 314.110 3.019 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1NC1CCSCC1 89662578 DRLNDFUTPYYWAA-GXTWGEPZSA-N 314.495 3.165 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cccc(F)c2F)c1 28304526 BYUWRMCRILXFBP-JTQLQIEISA-N 321.323 3.473 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)NCCc2ccsc2)c1 43034938 YBTOWTZUZOWHHL-CYBMUJFWSA-N 319.426 3.021 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 105885559 NBLSRBKJSMLYTD-HEHGZKQESA-N 310.401 3.340 0 40 DGAB Cc1cc(C(=O)N2CCOC[C@@H]2C)c(C)n1Cc1cccs1 47665620 HAQAFIUVXXDTLN-ZDUSSCGKSA-N 318.442 3.076 0 40 DGAB O=C(Nc1ccncc1)N1CCC(OCc2ccccc2)CC1 56498661 XPPQWQTXKQRVQD-UHFFFAOYSA-N 311.385 3.295 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccccc2)cc1NC(C)=O 26057472 JPAZAVDIEYCXEI-DHZHZOJOSA-N 310.353 3.306 0 40 DGAB N[C@H]1CN(Cc2cccc3cccnc23)C[C@H]1c1ccc(F)cc1 108479096 LVRFBBPCNSGUFR-OALUTQOASA-N 321.399 3.301 0 40 DGAB CC(C)c1noc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 26985037 LWIRWEZKVZWAOB-VHSXEESVSA-N 316.361 3.086 0 40 DGAB CC(C)c1noc([C@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1 26985020 LWIRWEZKVZWAOB-UWVGGRQHSA-N 316.361 3.086 0 40 DGAB COc1ccc(C)cc1NC(=S)NC(=O)c1ccc(F)cc1 3241818 XMCXJNJTBRTMLB-UHFFFAOYSA-N 318.373 3.270 0 40 DGAB COc1cccc(N2COc3ccc4c(C)cc(=O)oc4c3C2)c1 2117730 HOOFWFCLMJSNGV-UHFFFAOYSA-N 323.348 3.467 0 40 DGAB biogenic CCOc1ccc2nc(SCC(=O)N3CCCC3)sc2c1 3247866 SISVDRIUELTSQE-UHFFFAOYSA-N 322.455 3.410 0 40 DGAB CN(CCCOc1ccc(F)cc1)C(=O)c1cc(C2CC2)on1 58282490 JUDJFXPCPMVRHM-UHFFFAOYSA-N 318.348 3.232 0 40 DGAB Cc1nsc(NC(=O)COc2cc(C)c(Cl)c(C)c2)n1 27740430 JUUNOTPJXJAFSD-UHFFFAOYSA-N 311.794 3.134 0 40 DGAB O=C(NCC(F)(F)F)[C@H]1C[C@H]1c1cccc(Br)c1 58344376 HEUZDUNIZAHBDE-UWVGGRQHSA-N 322.124 3.231 0 40 DGAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@H]1c1ccccc1 58380161 RQCWFVDAUQYXTI-SZMVWBNQSA-N 317.429 3.324 0 40 DGAB COc1ccc(SCCC(=O)Nc2ccc(OC)nc2)cc1 10742386 WOGWFKLHOHRQFQ-UHFFFAOYSA-N 318.398 3.220 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1C 3397105 MYCZYJJNDDEAJK-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)s1 3384555 XHBLDVPGNLHMNF-JTQLQIEISA-N 307.346 3.380 0 40 DGAB COCCSc1ccc([C@@H](C)NC(=O)Nc2cn[nH]c2)cc1 69570636 SPGXEOLZRASJHT-LLVKDONJSA-N 320.418 3.031 0 40 DGAB CCOc1ccc2oc(C(=O)O[C@H]3CCCC3=O)c(C)c2c1 3562551 GXSZIXQJWAGCIL-HNNXBMFYSA-N 302.326 3.418 0 40 DGAB CC(=O)c1cccc(NCC(=O)NCCCc2ccccc2)c1 24216318 PGBRPUMVNCOTNM-UHFFFAOYSA-N 310.397 3.050 0 40 DGAB CC(C)[C@@H](NC(=O)NC(C1CC1)C1CC1)c1nc(C2CC2)no1 69763590 SEVQDSNNQQMELL-CYBMUJFWSA-N 318.421 3.132 0 40 DGAB c1cncc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)c1 13689545 RZSGVZTXWLIWIW-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCO[C@H](c2ccccc2Cl)C1 69846316 SYZHJYVEJGPGNZ-BBRMVZONSA-N 323.820 3.199 0 40 DGAB Cc1cc(N2C[C@H](C)O[C@H](C)C2)n2cc(-c3ccccc3)nc2n1 18085490 OVHWPPLFYVJFGT-GASCZTMLSA-N 322.412 3.318 0 40 DGAB O[C@@](CCN1CCOCC1)(c1ccc(Cl)cc1)C1CCCC1 26958556 ADCAHIAYVYLHND-GOSISDBHSA-N 323.864 3.440 0 40 DGAB Cc1nn(C)c(C)c1CNC(=O)c1ccc(-c2ccco2)cc1 72243315 AOAAVRPMOKRQJG-UHFFFAOYSA-N 309.369 3.227 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)OC 14113237 UMPHLMFQMSTQHT-IAQYHMDHSA-N 323.458 3.335 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)c1ccccc1 69977415 RMKQRRGVBACKDO-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)N1CC(=O)Nc2ccccc21 20110883 UFCDCWRCVMOIJC-ZDUSSCGKSA-N 324.380 3.002 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc(F)c(F)c2F)c1 5675984 NFNAGFPCAKHTCO-UHFFFAOYSA-N 311.259 3.373 0 40 DGAB Cc1c(C(=O)N2CCCCC2)cnn1-c1ccc(Cl)cc1 6773791 LDHPGIFJMQWQEW-UHFFFAOYSA-N 303.793 3.460 0 40 DGAB CON(C)C(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 8704558 PWOGHWQRGNNDTO-UHFFFAOYSA-N 315.398 3.088 0 40 DGAB Cc1csc(NC(=O)COc2cccc(C(F)(F)F)c2)n1 6836904 SXEGHCPIHZSNJM-UHFFFAOYSA-N 316.304 3.488 0 40 DGAB Cc1cc(SCC(=O)NC(C)C)nc(-c2cccc(F)c2)n1 67257416 BRNGYOKKDAFBRP-UHFFFAOYSA-N 319.405 3.208 0 40 DGAB Cc1cccnc1NC(=O)Cc1ccc(Br)cc1 18231165 XNFYCYJIARGAJJ-UHFFFAOYSA-N 305.175 3.334 0 40 DGAB CC[C@@H](C)c1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1 20807171 AAFRUTSENCMPBY-WCXIOVBPSA-N 321.461 3.049 0 40 DGAB CN(C)C1(CNC(=S)NCc2ccc(F)cc2)CCCCC1 7374545 JYGKUGAJOMRGNU-UHFFFAOYSA-N 323.481 3.054 0 40 DGAB C[C@@H]1C[C@@H](Sc2nnc(-c3cccs3)n2C2CC2)C(=O)O1 8038136 SVTGQPVPLSQMGK-LDYMZIIASA-N 321.427 3.138 0 40 DGAB NC(=O)c1cc(-c2csc(Cc3ccccc3)n2)ccc1O 8042415 HJWAJJSPFLZATG-UHFFFAOYSA-N 310.378 3.205 0 40 DGAB CCOC(=O)[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 68946692 KZMXYIQQOFAQBV-SFHVURJKSA-N 324.380 3.288 0 40 DGAB CCc1cc2c(SCC(=O)NC3CCCC3)ncnc2s1 8132933 ZHYZERFLRKEMNT-UHFFFAOYSA-N 321.471 3.405 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2cc(C)cc(C)c2)cs1 9365694 VPXZGQXTROCAHE-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)CCc1ccco1 75602238 BBSJHTJORDJVSV-CYBMUJFWSA-N 321.808 3.271 0 40 DGAB Cc1cc(C(=O)OCC(C)(C)C2OCC(C)(C)CO2)oc1C 97020113 VYQYUUGKGPIICU-UHFFFAOYSA-N 310.390 3.479 0 40 DGAB CN1CC[C@@H](SCc2ccccc2OCC(F)(F)F)C1=O 76068578 GWSVUMIWNLRSGO-GFCCVEGCSA-N 319.348 3.092 0 40 DGAB C[C@H]1CN(Cc2nnsc2Cl)C[C@H](c2ccsc2)O1 97227885 CSNUTGJTBWQENK-GZMMTYOYSA-N 315.851 3.215 0 40 DGAB CC(C)Cn1ccnc1CNc1cncc(Br)c1 95429648 HALPIFXYIXVHJA-UHFFFAOYSA-N 309.211 3.309 0 40 DGAB CCSc1cccc(NC(=O)N[C@@H]2CCc3[nH]ncc3C2)c1 95440657 DNMHYEGJTJECSB-CYBMUJFWSA-N 316.430 3.201 0 40 DGAB CCN(C(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1)C1CCC1 78824993 LCLXVUPXTDJLCX-MRXNPFEDSA-N 322.836 3.308 0 40 DGAB CCCn1nccc1C(=O)Nc1cnn(Cc2ccc(C)cc2)c1 28239971 PXVQIPZSRVNCMA-UHFFFAOYSA-N 323.400 3.099 0 40 DGAB Cc1ccc(C(=O)NCc2noc(-c3ccc(C)cc3)n2)cc1 33643719 UQVPKTDXSHWRAJ-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB O=C(c1cnc2ccsc2c1)N1CCC(c2ncc[nH]2)CC1 525157395 DZTRLIKVJOKHQB-UHFFFAOYSA-N 312.398 3.039 0 40 DGAB CC(=O)N1CCC(c2nccnc2-c2ccc(F)c(F)c2)CC1 72365765 HEOJMPDOSZFWEF-UHFFFAOYSA-N 317.339 3.148 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)cc1 72228085 DWEZHNPWWDMAAM-CVEARBPZSA-N 316.788 3.154 0 40 DGAB COc1ccc(CCC(=O)NCC2=CCCCC2)cc1OC 224395607 KRIFMPDBOLRGOS-UHFFFAOYSA-N 303.402 3.253 0 40 DGAB CC[C@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)OC 192842908 JWHJJPHOWBHSRR-ZDUSSCGKSA-N 318.398 3.364 0 40 DGAB CC(C)CC[C@H](C)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97095373 ZFQVSVANRPXFRH-HNNXBMFYSA-N 324.490 3.158 0 40 DGAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CC[C@H](O)C1 97371531 KGDQBFZIDNOTIN-INIZCTEOSA-N 318.417 3.134 0 40 DGAB CC1(C)CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c2ccccc21 96100838 RMWIIMFQNFCQMW-ZIAGYGMSSA-N 313.397 3.368 0 40 DGAB COc1ccccc1-n1c(S)nc2cc(Cl)ccc2c1=O 95950811 JSZVMGGWBNBGNR-UHFFFAOYSA-N 318.785 3.336 0 40 DGAB CC(C)CCNC(=O)c1cc(C(C)(C)C)c2c(O)n[nH]c2c1 94993212 QVACGLNPEADDQK-UHFFFAOYSA-N 303.406 3.342 0 40 DGAB O=C(O)c1cc(C(F)(F)F)c(C(=O)O)cc1C(F)(F)F 90685787 YIAGLTIEICXRQF-UHFFFAOYSA-N 302.126 3.121 0 40 DGAB Fc1ccc(-c2n[nH]c3c2CCN(Cc2cccnc2)CC3)cc1 96254388 NZLZWEOXAXUARZ-UHFFFAOYSA-N 322.387 3.212 0 40 DGAB O=C(c1cccnc1)N1C[C@H]2CCC[C@H](Cc3ccccn3)[C@H]2C1 257305089 SOKBRULEYLSRIU-SZVBFZGTSA-N 321.424 3.208 0 40 DGAB C[C@H](C(=O)NC(C)(C)CCO)c1ccc(C(F)(F)F)cc1 252498635 RGNBQHJSOCUUTL-JTQLQIEISA-N 303.324 3.086 0 40 DGAB CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1 257226449 FKQMOPRUALQVGI-ZBFHGGJFSA-N 322.836 3.118 0 40 DGAB CC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)CC1 252486794 NHBNGSRXBDPAAA-IEWDOMPSSA-N 304.478 3.049 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)no1 257224226 FAWDHHQHEZZDJT-LBPRGKRZSA-N 319.430 3.412 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@@H]3NCCC[C@@H]3O[C@H]21 257334407 YFSWMSZMWPDGFD-QBYUYEEZSA-N 317.429 3.455 0 40 DGAB Cc1cc(CCCNC(=O)NCc2ccc(Cl)cc2)on1 390825828 GUWMBYOCVHJDHC-UHFFFAOYSA-N 307.781 3.068 0 40 DGAB O[C@]1(COc2ccccc2F)CCCN(C2CCCC2)CC1 585281622 NLLIPOXKYYBQBL-GOSISDBHSA-N 307.409 3.364 0 40 DGAB O=C(Nc1ccc(CCO)cc1)c1cc(-c2cccs2)on1 59933114 AXPCTUYVSLXIQW-UHFFFAOYSA-N 314.366 3.190 0 40 DGAB FC(F)(F)Oc1ccc(Br)cc1C1OCCO1 44228813 XKJRTFXUVLSIGA-UHFFFAOYSA-N 313.069 3.393 0 40 DGAB CC(C)Oc1ccc(C(=O)OCc2nc3ccccc3[nH]2)cn1 54895741 LYBGVRYANRJBOO-UHFFFAOYSA-N 311.341 3.102 0 40 DGAB COc1ccc(C[C@@H]2CCCN2C(=O)c2scnc2C)cc1 55614227 XPDICYRCIQKEPX-AWEZNQCLSA-N 316.426 3.307 0 40 DGAB C[C@@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)nc2)C1 62093305 WAPXRGNLVCWCKL-LLVKDONJSA-N 322.817 3.123 0 40 DGAB O=C1[C@@H]2CCC[C@H]2N1CN(C1CC1)[C@@H]1CCCc2ccccc21 106919226 FLHDTFIVLISWIP-GUDVDZBRSA-N 310.441 3.497 0 40 DGAB O=C(NCCCOc1ccccc1)c1ccc2ccccc2n1 11085943 VMHLXJXCPBRYHE-UHFFFAOYSA-N 306.365 3.434 0 40 DGAB Cc1cc2cc(CNc3ccc(O)cc3O)c(=O)[nH]c2cc1C 12144348 KSOXGGPRQAZOBR-UHFFFAOYSA-N 310.353 3.168 0 40 DGAB CC(=O)N[C@@H](C(=O)N[C@@H](C)c1cccc2ccccc12)C(C)C 13006317 NSHWLGNHWDOUCF-SCLBCKFNSA-N 312.413 3.178 0 40 DGAB CC(C)C(=O)NC(=S)Nc1ccc(Br)cc1F 14257729 ICRSETVDVWHRCX-UHFFFAOYSA-N 319.199 3.057 0 40 DGAB CC(C)n1c([C@H](C)NC[C@H](O)C(F)(F)F)nc2ccccc21 162359651 FXAUGKGTKWRFCD-GWCFXTLKSA-N 315.339 3.191 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)c1cnc2ccccc2n1 5425253 YFHMRZQUUMHIPK-UHFFFAOYSA-N 315.279 3.484 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CN2C[C@@H](C)O[C@H](C)C2)cc1 33451928 KGLLWYOOSJOIBA-RRFJBIMHSA-N 304.434 3.248 0 40 DGAB Cc1cc(OCC2CCN(c3ncnc(C)c3C)CC2)ccn1 1775967950 HPMUGRYAMKBWBW-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB Nc1ccc(C(=O)OCC(=O)Nc2ccc3ccccc3c2)cc1 5709473 XXJMBBPFKHKXFJ-UHFFFAOYSA-N 320.348 3.218 0 40 DGAB O=Cc1nc(Br)c(-c2cc(F)c(F)cc2F)[nH]1 1857794616 CZXWTXWDBUGJLM-UHFFFAOYSA-N 305.053 3.069 0 40 DGAB CC(C)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 512963 JBPJSBVSWFUJGC-UHFFFAOYSA-N 308.337 3.082 0 40 DGAB C[C@@H](Cn1cccn1)NCc1csc(Cc2ccccc2)n1 69414569 VZBQECNRMQOSBM-AWEZNQCLSA-N 312.442 3.109 0 40 DGAB CC(=O)N(Cc1ccccc1)c1nnc(-c2ccncc2)s1 1345669 AFCHRDFWFBADLG-UHFFFAOYSA-N 310.382 3.153 0 40 DGAB CC(=O)c1ccccc1NC(=O)COC(=O)CCC1CCCC1 3392969 UEJJLRJBIYHCLS-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB COc1ccc2c(C=O)c(C(=O)O)n(Cc3ccccc3)c2c1 45795936 WDOAJUVHROGHTI-UHFFFAOYSA-N 309.321 3.209 0 40 DGAB Cc1nnsc1C(=O)Nc1ccc(Br)cc1F 32103788 SABHFPMEHBRZCX-UHFFFAOYSA-N 316.155 3.000 0 40 DGAB CC(C)(C)SCCNC(=S)Nc1ccc2c(c1)OCO2 6363897 XQDTXBWXAHUHDI-UHFFFAOYSA-N 312.460 3.233 0 40 DGAB Cc1csc(SCC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 102089066 RHAXHHTZOWWQJW-FDYHWXHSSA-N 310.488 3.485 0 40 DGAB O=S(=O)(Nc1ccccn1)c1ccc(Cl)c(Cl)c1 367775 VUQPFVRAPJQSOW-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB COc1ccc(C(=O)C[C@@H]2OC(=O)c3ccccc32)cc1OC 384426 ZBHXTOAOZYOSCO-INIZCTEOSA-N 312.321 3.188 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2O)cc1F 21929528 KYTKCJWMOMAIDE-UHFFFAOYSA-N 323.751 3.466 0 40 DGAB CC1=NN(C(=O)c2ccc(C)c(Cl)c2)[C@](O)(C(F)(F)F)C1 527091 CMCFAHCHWSGOTB-GFCCVEGCSA-N 320.698 3.121 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 544056 HIXBCVCTZYIKSS-LJQANCHMSA-N 309.365 3.414 0 40 DGAB Cc1ccc(-c2cc(C(=O)N[C@H](C)c3cn(C)nc3C)no2)cc1 2798149 PUGHZHUHKBDXMR-GFCCVEGCSA-N 324.384 3.183 0 40 DGAB COc1ccc(CNC(=O)c2ccc(C)c(-n3cccc3)c2)cn1 22283154 ONHIUWGTCNJYIN-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB COc1cc(CN[C@@H](C)c2ccc(C)o2)cc(OC)c1OC 22793876 FFLHPLKQKUCYNB-LBPRGKRZSA-N 305.374 3.465 0 40 DGAB COc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)cc1OC 12415138 UXUGUJCDVIDOPW-UHFFFAOYSA-N 312.329 3.021 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)CCSCC)cc1 54312068 WCOUAFNYDIUGTH-UHFFFAOYSA-N 310.419 3.361 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1 12560351 AHMSLADZNAUHPG-INIZCTEOSA-N 324.359 3.470 0 40 DGAB Cc1ccsc1CNC(=O)C1(c2ccccc2)CCOCC1 24695950 GFEMUDVBTRJTFB-UHFFFAOYSA-N 315.438 3.421 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)Nc2c(F)cccc2F)no1 24764123 OVIMZIOZSSAFRT-CQSZACIVSA-N 321.327 3.037 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)Nc1ccccc1 1379708 QDOSLMMXCOTESQ-INIZCTEOSA-N 315.417 3.132 0 40 DGAB C[C@@H]1CCCC[C@H]1N(C)C(=O)CSCc1nc(C2CC2)no1 89927630 HSIOPBZNLIPBPO-DGCLKSJQSA-N 323.462 3.217 0 40 DGAB C[C@@H](NCc1cccc(Cl)c1)C(=O)NCc1ccccc1 57024407 KANDBVPCKLDAQT-CYBMUJFWSA-N 302.805 3.135 0 40 DGAB Cc1cc2c(cc1C)[C@H](NCC[C@H](C)[S@@](C)=O)CCCO2 108372301 TUEHNUMTURZHKW-PXARDIRTSA-N 309.475 3.264 0 40 DGAB Cc1cc(NC(=O)NC2(c3ccc(F)cc3)CCC2)n(C)n1 58160059 GCXCDYMXYWCXFT-UHFFFAOYSA-N 302.353 3.069 0 40 DGAB COc1ccc(OCc2noc(CN3CCCC[C@H]3C)n2)cc1 44893154 GNQUBGPNSUJFCM-CYBMUJFWSA-N 317.389 3.032 0 40 DGAB COc1ccc2cc(CNC(=O)NCc3ccncc3)ccc2c1 10262941 KLDSJVDSKWLAPX-UHFFFAOYSA-N 321.380 3.243 0 40 DGAB Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)no2)cc1 27662184 OVFLIVBXLGGJRZ-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CCn1nnc2cc(C(=O)N3CC[C@@H]4CCCC[C@@H]4C3)ccc21 23429525 PZNOOBNRJQUTOU-DZGCQCFKSA-N 312.417 3.104 0 40 DGAB COc1ccccc1N(C)C(=O)c1cc(C)nc2onc(C)c12 58413193 GXGUZTBQWRPLRM-UHFFFAOYSA-N 311.341 3.125 0 40 DGAB CSc1ccccc1NC(=O)c1ccc(S(C)(=O)=O)cc1 10511920 AZCZSCQOABGRAO-UHFFFAOYSA-N 321.423 3.064 0 40 DGAB COC[C@@H](C)NC(=O)c1ccc(CSc2ccccc2)o1 28277186 PAXQSUXAHCZIRJ-GFCCVEGCSA-N 305.399 3.337 0 40 DGAB C[C@@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccccc1 3435104 AFONVJWZJHYSEY-SNVBAGLBSA-N 305.280 3.149 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1nn(-c2ccccc2)nc1C 12928838 FRNOVIVTPAGJOS-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)NCCCN1CCCCC1 20452516 ZUICKBPOESAAAK-MRXNPFEDSA-N 318.461 3.009 0 40 DGAB Fc1ccc2c(NCCOc3ccccc3F)ncnc2c1 49604856 PYMCDZZCRKCDDU-UHFFFAOYSA-N 301.296 3.399 0 40 DGAB CC(C)CN(CC(C)C)C(=O)CCn1c(=O)oc2ccccc21 5014760 NQPJZNHPIZPYSF-UHFFFAOYSA-N 318.417 3.125 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc2c(c1)OCCCO2 6123484 UBUZOBHTYWBANC-UHFFFAOYSA-N 317.316 3.005 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)c1nc(-c2ccccc2)no1 65565604 VWHTWSLAEKNRHG-UHFFFAOYSA-N 309.325 3.102 0 40 DGAB CN(Cc1cscn1)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 65554115 GAIZHJYSEHZABQ-UHFFFAOYSA-N 318.446 3.244 0 40 DGAB Cc1csc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 69628800 KKFWVIPALZTPSV-UHFFFAOYSA-N 300.427 3.400 0 40 DGAB COc1ccc([C@H]2CCCN2CC2CCOCC2)c(OC)c1 69664029 FPHDLHSIMLMWBN-QGZVFWFLSA-N 305.418 3.267 0 40 DGAB CCN(c1ccc(F)cc1)S(=O)(=O)c1cccc(C(C)=O)c1 14139267 HYONOOCSGJHADK-UHFFFAOYSA-N 321.373 3.244 0 40 DGAB CCc1sc(C(=O)N2CCN(c3nccs3)CC2)cc1C 14141156 WQMHXBVMIZZKCR-UHFFFAOYSA-N 321.471 3.038 0 40 DGAB Cc1nc2c(cnn2-c2ccc(F)cc2)c(=O)n1C1CCCC1 6719784 FCFHFULOJXDYOY-UHFFFAOYSA-N 312.348 3.145 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2c(N)cccc2F)CC1 67800847 SSWGFWHHMKOHIK-UHFFFAOYSA-N 310.369 3.186 0 40 DGAB COc1ccc(NC(=O)CN2CCC[C@@H]2c2ccccc2)cc1 8748173 FXQVMEZQPDTLNE-GOSISDBHSA-N 310.397 3.471 0 40 DGAB CCCOc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OC 9379381 NTCBUTONBLLGGP-QGZVFWFLSA-N 312.369 3.338 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccccc3F)c2)n1 71922302 FALMGUGDFLHELY-UHFFFAOYSA-N 324.311 3.104 0 40 DGAB CCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)Cc1ccoc1 71904616 CMNBIQHGKDNHPL-UHFFFAOYSA-N 318.421 3.000 0 40 DGAB O=C(Nc1ccccc1F)N1CC[C@H](CN2CCCCC2)C1 75502499 WDRHRSDASVFOMV-CQSZACIVSA-N 305.397 3.165 0 40 DGAB c1ccc2oc(CN3CCC[C@H]3c3noc(C4CC4)n3)nc2c1 76047443 KMXVNEPSMYMYST-ZDUSSCGKSA-N 310.357 3.425 0 40 DGAB CC(C)COc1ccccc1NC(=O)N[C@@H](CCO)C(C)C 76069334 JUGFRPQYNPFRCB-AWEZNQCLSA-N 308.422 3.250 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1cccc(-c2nccs2)c1 76069405 LKNRATDQLSBXPA-AWEZNQCLSA-N 317.414 3.453 0 40 DGAB O=C(CNc1cccc(CO)c1)Nc1cccc2ccccc12 72267320 BZWKWSOYMUSEQI-UHFFFAOYSA-N 306.365 3.383 0 40 DGAB Cc1ccncc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1 97083066 UVUPNNHHNPWDTA-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB CCc1csc(CN[C@@H]2CCc3ccc(OC)cc3C2)n1 67785069 HFMARCXUBWUAEW-OAHLLOKOSA-N 302.443 3.361 0 40 DGAB O=C(NCc1ccco1)Nc1nc(-c2cccs2)ns1 97114049 PZKLGACVNZMLBU-UHFFFAOYSA-N 306.372 3.181 0 40 DGAB CCc1cnc(CN(C)[C@H]2CCN(CCc3cccs3)C2)o1 78891844 FSDOIUNAMSGLOW-AWEZNQCLSA-N 319.474 3.047 0 40 DGAB CC(C)OCCOC(=O)[C@H]1CCCCN1Cc1ccccc1 95401039 LKEFULSCAPNEOC-QGZVFWFLSA-N 305.418 3.009 0 40 DGAB Cc1ncsc1CCN[C@H](C)c1ccc2c(c1)OCCO2 95984284 HUUNJXIAEZSPBW-LLVKDONJSA-N 304.415 3.116 0 40 DGAB Cn1cc(NC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cn1 95977171 HIDZSHACGFXMLP-MAUKXSAKSA-N 310.401 3.353 0 40 DGAB O=C(COc1ccccc1)NCCSCc1cccs1 408907476 OZHPNLJBBUOTRB-UHFFFAOYSA-N 307.440 3.177 0 40 DGAB Cc1cccc(OCCNC(=O)[C@@H](C)OCc2ccccc2)c1 32703654 KTWBRGVXSNUCAK-MRXNPFEDSA-N 313.397 3.095 0 40 DGAB Nc1cc(C(=O)Nc2ccc(F)cc2)ccc1Br 32211162 QXYYGVNHOQIKPV-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB COc1ccc(C(N)=O)c(OCc2cc(-c3ccccc3)on2)c1 39519962 HYTKMVYSSZFNLQ-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB O=C(O)c1ccc(-c2ccc(I)cc2)o1 36929550 KGVZFZYDPQIAJP-UHFFFAOYSA-N 314.078 3.249 0 40 DGAB CC(C)NC(=S)Nc1ccc(N2C[C@@H](C)C[C@@H](C)C2)nc1 223875051 AEFDCYSEBQRYDI-BETUJISGSA-N 306.479 3.259 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccccc2F)CC1 41542055 LMODAZOWQOTKJZ-UHFFFAOYSA-N 308.397 3.053 0 40 DGAB CCOc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 48331630 YUBXGISHQFSBIT-CYBMUJFWSA-N 302.201 3.285 0 40 DGAB Cc1c(NC(=O)CCC(=O)OC(C)(C)C)cccc1N(C)C 192352268 UZMJDGQPDOIFKC-UHFFFAOYSA-N 306.406 3.121 0 40 DGAB Cc1c([C@@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cnn1C 49546732 HHFCERGFWKFGAN-ZDUSSCGKSA-N 319.434 3.104 0 40 DGAB COc1ccc(Nc2ccc(C(=O)N3CCCC3)cc2N)cc1 225430815 UZHLSCUXSDSMQD-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB CC(C)(C)SCCNC(=O)c1cccnc1C(F)(F)F 195578039 RQZLMHWZAPGXBL-UHFFFAOYSA-N 306.353 3.362 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(Cl)cc2)cc1 140177503 XWOZLCOEHSTVQP-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB N[C@@H](c1ccc(Cl)cc1)c1nc(CNc2ccccc2)n[nH]1 95533969 JDUQUEIQXJGJGP-HNNXBMFYSA-N 313.792 3.118 0 40 DGAB Oc1cccc(CN(Cc2ccncc2)C2CCC(O)CC2)c1 96424693 UWRSVRDYGQUWNP-UHFFFAOYSA-N 312.413 3.093 0 40 DGAB COc1ccc(CCNC(=O)C(C)(C)C)c(SC)c1OC 95470424 AXPWZXJCILXQKA-UHFFFAOYSA-N 311.447 3.131 0 40 DGAB Cc1ccccc1[C@H]1CN(C(=O)c2cscn2)[C@H](C)CO1 96425675 VVDQGZPPRHPXIF-IUODEOHRSA-N 302.399 3.054 0 40 DGAB CCN(C)C(=O)NCc1cc2cccnc2cc1Br 583652287 XVTKFOXRGULWPJ-UHFFFAOYSA-N 322.206 3.159 0 40 DGAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 96058440 NAGKLTBGSVUZON-UXHICEINSA-N 324.424 3.044 0 40 DGAB CC[C@H](CO)C(=O)N[C@@H](c1ccccc1)c1ccc(F)cc1 584908779 GZIXZDYIATXJGX-DYVFJYSZSA-N 301.361 3.050 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C2)n1 257342607 ZPKVUQNDVYSLIR-LLVKDONJSA-N 307.756 3.140 0 40 DGAB COC1CN(c2ccc(NC(=O)Nc3cccc(C)c3)cc2)C1 253403764 QKDDXWHNXUZXLO-UHFFFAOYSA-N 311.385 3.474 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccnc3)N21 260753105 BILUQVGMINZHMV-KBMXLJTQSA-N 310.426 3.456 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccsc2)c2ccco2)no1 670786424 OSGZNDNEFGYSHR-GFCCVEGCSA-N 302.355 3.199 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCc2sccc2[C@H]1C 67759015 PJIDPYYSWIUXRN-SNVBAGLBSA-N 305.403 3.182 0 40 DGAB CC(C)Oc1ccc(CNC(=O)NCc2ccncc2)cc1F 75133458 KLMNVZNLXGDIJX-UHFFFAOYSA-N 317.364 3.007 0 40 DGAB Cc1ccc(CN[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 97103489 BYQKRHHPTIUBMB-CABCVRRESA-N 319.449 3.316 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1cccc(Br)c1Cl 1083806354 LVWQYHDNLUKZKA-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB O=C1CCCC[C@@H]1CCS(=O)(=O)c1ccc(Cl)cc1 149684 OIOAWAGTALHADQ-LLVKDONJSA-N 300.807 3.263 0 40 DGAB CCc1cc(Nc2cc(Cl)ccc2OC)n2ncnc2n1 13365026 JNITYVFSDXUEKJ-UHFFFAOYSA-N 303.753 3.092 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5666418 FHJWZBJUZHZZFS-SNVBAGLBSA-N 314.366 3.211 0 40 DGAB Cn1ccc(N[C@@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 10752314 ZDGQGJCSMHKQLA-QGZVFWFLSA-N 324.359 3.351 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H](C)C2)CC1 1054792143 FUHDARDIFUFHMK-VQHPVUNQSA-N 322.493 3.262 0 40 DGAB CN1CCC(CC(=O)Nc2ccc(Br)cc2)CC1 74921013 HUFOFYYDKKVIGT-UHFFFAOYSA-N 311.223 3.120 0 40 DGAB O=Cc1nc(Br)c(-c2c(F)cc(F)cc2F)[nH]1 1857794883 QJBHAABZNYYOHE-UHFFFAOYSA-N 305.053 3.069 0 40 DGAB CCCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 20375206 SOXPJHBJBHXRPL-KSSFIOAISA-N 301.386 3.489 0 40 DGAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 40504462 LSIDFYXLYFMATC-KRWDZBQOSA-N 324.380 3.365 0 40 DGAB Cc1cccc(OCC(=O)Nc2nnc(C3CC3)s2)c1C 3552700 ZGEKJMAXFDZQPB-UHFFFAOYSA-N 303.387 3.050 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2ccccc2F)c1 32035043 AWJJWBOREMXCJJ-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CC(C)OCCCNC(=O)Cn1ccc2cc(Cl)ccc21 32094902 VNKOTTJVEWPJFE-UHFFFAOYSA-N 308.809 3.226 0 40 DGAB COc1ccccc1CN1CCC(C(=O)NCCC(C)C)CC1 299523 UFOFWWUXPIDMSI-UHFFFAOYSA-N 318.461 3.070 0 40 DGAB CNc1c(NC(=O)c2ccccc2F)c(=O)oc2ccccc12 6823073 ARCSCUQMHBOJRZ-UHFFFAOYSA-N 312.300 3.226 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)cc1 7212533 XBWWBPYGYSGSQY-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)cc1 55663167 ZPPGQBUVWNRXAF-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H]1C(=O)N(c3cc(C)cc(C)n3)C(=O)[C@@H]21 102361241 GMXCSMUFVUALIH-OMNBBPDLSA-N 310.397 3.180 0 40 DGAB Nc1ccccc1-c1nc(-c2cc(-c3ccccc3)n[nH]2)n[nH]1 32815332 XTHWPARSIURNBI-UHFFFAOYSA-N 302.341 3.111 0 40 DGAB Cc1[nH]c2ccccc2c1C1CCN(CCCn2cncn2)CC1 52465056 CBTMTKZDDZBMBR-UHFFFAOYSA-N 323.444 3.338 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCC(Oc2ccccc2)CC1 52797983 VDXJDXONASWVLA-UHFFFAOYSA-N 321.380 3.247 0 40 DGAB Cc1cc(-c2nnc(-c3cccc(C(F)(F)F)c3)o2)n(C)n1 2806341 UOGWGPYKFRZPGX-UHFFFAOYSA-N 308.263 3.464 0 40 DGAB O=C(O)C[C@@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 57638425 IINPZSXZOOABHC-CQSZACIVSA-N 307.365 3.177 0 40 DGAB COc1ccccc1[C@H](NCc1ccsc1)c1nccn1C 42205176 VMICDVBXWTVENQ-INIZCTEOSA-N 313.426 3.369 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)C1(c2ccc(F)cc2)CC1 47436685 BUGCNORSSMRAOG-UHFFFAOYSA-N 323.371 3.392 0 40 DGAB CCN(Cc1ccco1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117630 DTFMQDWTLGAXCJ-UHFFFAOYSA-N 322.364 3.297 0 40 DGAB C[C@@H](OC(=O)/C=C/c1ccccn1)C(=O)c1ccc2c(c1)CCC2 47573816 FFYLJCPEVFEQEB-PLSXKVAHSA-N 321.376 3.398 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccccc2)CC1 12562710 TVJURPRIYLJCOM-WBVHZDCISA-N 301.434 3.097 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc12 104819296 DWFMIKZYBZZVCM-BQUFFADESA-N 317.458 3.498 0 40 DGAB Cc1nc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)nc(C)c1C 12533553 AUKAPCXEYQQCON-FIXISWKDSA-N 321.490 3.435 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@H]1c1ccccc1 107499730 WVWISZBTRINBSW-IIHMKKKESA-N 317.454 3.259 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCCCn2nc(C)cc2C)C1(C)C 27084566 ANHHANPOLFHIAI-HOTGVXAUSA-N 303.450 3.245 0 40 DGAB C[C@@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(F)cc2)no1 58174024 WYAWCRXSBKLINL-SNVBAGLBSA-N 305.353 3.489 0 40 DGAB CC(=O)COC(=O)c1ccccc1C(=O)c1ccc(C)c(C)c1 3340782 GBULSQZHRLXUOK-UHFFFAOYSA-N 310.349 3.280 0 40 DGAB CC(C)N(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccccn1 58326425 NJBKPKFQRKVUGF-UHFFFAOYSA-N 322.368 3.182 0 40 DGAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCc2csc(C)n2)c1 27991662 AKLKGFPIJKEYNZ-CYBMUJFWSA-N 318.442 3.195 0 40 DGAB Nc1cccc(-c2nc(CCNc3cccc(Cl)c3)n[nH]2)c1 62719103 LQIURLJAJMBSGL-UHFFFAOYSA-N 313.792 3.362 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 36385548 LGASZJKOZYSBIL-JJRVBVJISA-N 317.429 3.347 0 40 DGAB COc1ccc(NC(=O)N[C@H](Cn2ccnc2)C(C)(C)C)cc1 36392247 CCJDKVQGKQNHGC-OAHLLOKOSA-N 316.405 3.128 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)N2CCOc3ccccc32)cc1 48333667 HWAURHCTXVSIRN-JLHYYAGUSA-N 315.394 3.195 0 40 DGAB CC1CCC2(CC1)NC(=O)N(Cc1ccccc1Cl)C2=O 7983035 FVIHFUHNZTYHAC-UHFFFAOYSA-N 306.793 3.341 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1Cl 4201520 YTTWQXVQQWJMAZ-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB O=c1[nH]c2ccc(Nc3ncnc4sc5c(c34)CCC5)cc2[nH]1 8198064 ZWMRUCCQLSMEFY-UHFFFAOYSA-N 323.381 3.093 0 40 DGAB COC[C@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14189637 WTGMDCXQHJRCAG-LBPRGKRZSA-N 303.333 3.383 0 40 DGAB COc1cc(NC(=O)/C=C/c2ccc(F)cc2)cc(OC)c1 5681988 HIKUSKNBONSYGY-VMPITWQZSA-N 301.317 3.495 0 40 DGAB O=C(NCc1nc(-c2ccco2)n[nH]1)Nc1cccc(Cl)c1 69631089 RORABWANDFCULK-UHFFFAOYSA-N 317.736 3.040 0 40 DGAB COC(=O)C[C@H](NC(=O)C=C(C)C)c1ccc(SC)cc1 69812112 SZHNUUBDOCYXQC-AWEZNQCLSA-N 307.415 3.095 0 40 DGAB C[C@@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1Cl 18190407 DJYLPNZVSDMBRK-QGZVFWFLSA-N 314.772 3.299 0 40 DGAB CCc1ccc(Nc2nnc(Cc3ccccc3)c(O)n2)cc1 8913893 DRMZKDZPBGLOSV-UHFFFAOYSA-N 306.369 3.474 0 40 DGAB COc1cc(F)c(NCC(=O)Nc2ccc(C)cc2)cc1OC 71883987 HEPFEBHLFZIOOI-UHFFFAOYSA-N 318.348 3.202 0 40 DGAB COc1ccc(C)cc1/C=C/C(=O)Nc1nnc(C2CC2)s1 9254819 DGKMZKQHKNMTPO-SOFGYWHQSA-N 315.398 3.384 0 40 DGAB CCOCCOc1ccccc1C(=O)Nc1ccc(N)cc1C 19736767 RDLJSBWVJTZQJS-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1)c1ccc(F)cc1 9319054 DTUNYVITIPGUFG-INIZCTEOSA-N 309.344 3.079 0 40 DGAB O=C(N[C@@H]1C[C@@H]1C1CCCCC1)c1ccccc1Cn1cncn1 89814051 VKCPQXFHRDZJQD-QZTJIDSGSA-N 324.428 3.025 0 40 DGAB C[C@@H](NCCc1cnn(C)c1)c1ccc(Br)cc1 93977929 VWTQMANQACYANZ-LLVKDONJSA-N 308.223 3.076 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)Cc1cccc(C)c1)OCO2 75582409 QBEYDCANFJUIGR-UHFFFAOYSA-N 311.337 3.108 0 40 DGAB CCc1ccc([C@H](C)NC(=O)c2cnn3ccc(C)nc23)cc1 75671309 JAPPCPBRFWHLQB-ZDUSSCGKSA-N 308.385 3.091 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2nccs2)o1 97147921 IVFZZNVXUSRRLH-NSHDSACASA-N 307.375 3.252 0 40 DGAB CCC(=O)N1CC[C@@H](N[C@H]2CCCSc3ccccc32)C1 95423873 QDKINYMPRFGIRF-HIFRSBDPSA-N 304.459 3.214 0 40 DGAB Cc1ccc(OC(=O)Cc2ccn(-c3ccc(F)cc3)n2)cc1 78876899 RYCPCNCPMITDQH-UHFFFAOYSA-N 310.328 3.468 0 40 DGAB Cc1ccc(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)o1 95962186 PANYFBVDPYMPBC-QGZVFWFLSA-N 312.413 3.182 0 40 DGAB C[C@@H](CC1CCOCC1)Nc1ccc(N2CCCC2=O)cc1 95990532 ASJVGIMIQCTQIX-AWEZNQCLSA-N 302.418 3.431 0 40 DGAB O=C(Cc1cc(-c2ccccc2)on1)Nc1cccc(C(=O)O)c1 95970344 ZDYQSZQJSCSDEE-UHFFFAOYSA-N 322.320 3.221 0 40 DGAB Cc1cc(C)nc(NCCCC(=O)Nc2ccc3[nH]ccc3c2)n1 79498360 CMURNLAOLDULNN-UHFFFAOYSA-N 323.400 3.406 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCCN1CCCCCC1 60635122 XMEYREHQXPZETR-UHFFFAOYSA-N 324.852 3.345 0 40 DGAB O=S1(=O)CC[C@H](Nc2ccc(Oc3ccccc3)cc2)C1 21813315 RFPMAEKEMGSGDU-AWEZNQCLSA-N 303.383 3.078 0 40 DGAB Cc1[nH]c2c(C)ccc(Cl)c2c1CCNC(=O)[C@@H]1CCCO1 32610969 DPUXZUQTDABXPJ-AWEZNQCLSA-N 320.820 3.276 0 40 DGAB c1ccc(-c2ncc(CN[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cn2)cc1 554813289 LGCOZDVNHHVTJK-KURKYZTESA-N 321.424 3.191 0 40 DGAB COc1ccc(CNC(=O)c2cc(Cl)ccc2F)c(OC)c1 72331691 ZGWJMDOJFIJYBT-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB CCCc1n[nH]c(SCC(=O)N2CCC[C@H]3CCCC[C@@H]32)n1 32907144 YJVFILZWQFHZCZ-OLZOCXBDSA-N 322.478 3.031 0 40 DGAB COC(=O)[C@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 70453732 YJLLJZPQQXPQTL-CYBMUJFWSA-N 301.308 3.058 0 40 DGAB O=C(Nc1ccc(F)cc1OCC1CC1)NC1CCC(O)CC1 77724230 JVNBNVOUZRUAOD-UHFFFAOYSA-N 322.380 3.040 0 40 DGAB CC(=O)N1CCC(c2csc(Nc3ncccc3C)n2)CC1 72368116 CWUWDQMKOTWOPI-UHFFFAOYSA-N 316.430 3.316 0 40 DGAB CC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccccc1 36616635 AYZINQPGUUJBGW-INIZCTEOSA-N 308.385 3.158 0 40 DGAB COc1ccc(O[C@@H](Cc2cc(C)cc(C)c2)C(=O)O)cc1 225037269 LZTNTIAQLOXGNV-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CC(=O)NC(=O)c1ccc(-c2ccc(C)cc2Br)o1 85346765 LTOVCZWBTSZAHX-UHFFFAOYSA-N 322.158 3.294 0 40 DGAB Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1 40484729 OFHNVLLZDHYQJW-UHFFFAOYSA-N 307.328 3.145 0 40 DGAB COCCC(=O)N(C)[C@H](c1ccncc1)c1ccc(Cl)cc1 96451784 WXOGTOGREWFTPF-KRWDZBQOSA-N 318.804 3.319 0 40 DGAB COC(=O)c1cccc2c1c(C=O)cn2C(=O)OC(C)(C)C 96517745 PRILDXUCZSYMRB-UHFFFAOYSA-N 303.314 3.024 0 40 DGAB CCS(=O)(=O)CCN[C@H](C)c1ccc(-c2ccccc2)o1 95421757 CAEOIXYEYHNDCF-CYBMUJFWSA-N 307.415 3.032 0 40 DGAB C[C@@H](c1ccccc1F)N(C1CC1)S(=O)(=O)c1cccnc1 96427800 JBZFXZVRCQPUKL-LBPRGKRZSA-N 320.389 3.135 0 40 DGAB CC(=O)N(C)Cc1ccccc1NC(=O)Cc1cc(C)ccc1C 96403747 CCUTVCUDGGSQPP-UHFFFAOYSA-N 324.424 3.463 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)no1 96433673 CBFRQBJNUNAPBD-GFCCVEGCSA-N 311.345 3.051 0 40 DGAB CCn1c(C)cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c1C 97212280 HIFZQVFEBVGDQN-MRXNPFEDSA-N 314.385 3.071 0 40 DGAB CC(C)c1nnc(CN2C[C@H](C)CN(C)c3ccccc32)o1 96424588 QNRGHSXGZWFLEL-CYBMUJFWSA-N 300.406 3.286 0 40 DGAB O=C(CSC[C@@H]1CCCCO1)OCc1cc(Cl)ccn1 584907823 SCGRRHWRXTZBRZ-ZDUSSCGKSA-N 315.822 3.081 0 40 DGAB Cc1scc(C(=O)NCc2cc(O)nc(C3CCC3)n2)c1C 585135611 SOHNQSDSJDEKOF-UHFFFAOYSA-N 317.414 3.058 0 40 DGAB CC(C)[C@@H]1CN(Cc2c(C(=O)O)oc3ccccc23)CCCO1 378871204 OCJKWKPKJQHWPM-INIZCTEOSA-N 317.385 3.378 0 40 DGAB Cc1cc(C(=O)NC2(c3cccs3)CCOCC2)c(C)o1 390828705 TUKXMKLYMFPTNO-UHFFFAOYSA-N 305.399 3.394 0 40 DGAB C[C@H](Sc1nccn1C1CC1)c1nnnn1-c1ccccc1 44965998 ZLZOJCPGUUTKRH-NSHDSACASA-N 312.402 3.047 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2ccsc12 71859634 MNVXDQFRJFRASB-CYBMUJFWSA-N 313.430 3.383 0 40 DGAB Oc1cc(F)cc(C(F)(F)F)c1I 169796818 DXGMGEFURFPWBG-UHFFFAOYSA-N 305.996 3.155 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)c(C)c1 5016711 XUXBSMIDIRIEOL-CYBMUJFWSA-N 317.410 3.144 0 40 DGAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 5654364 PDPLCFMKGBFZBX-QEORTHHSSA-N 303.402 3.351 0 40 DGAB Oc1cc(CSc2ccccn2)nn1-c1nc2ccccc2o1 14607850 NFBWVPLUKLZUIN-UHFFFAOYSA-N 324.365 3.406 0 40 DGAB O=C(c1ccc(Cl)cc1)c1ccc(N2CCOCC2)s1 16401140 IIBGTQZNIGORCX-UHFFFAOYSA-N 307.802 3.469 0 40 DGAB C[C@@H](c1ccccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 169618338 FHGVPLURQHUYFF-UONOGXRCSA-N 305.422 3.132 0 40 DGAB COc1ccc(OC)c(NC(=O)COc2cccc(Cl)c2)c1 3603978 GNWDJXSGCNLBBK-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB Cc1cnccc1OCC1CCN(c2ncnc(C)c2C)CC1 1889096845 SALUNBUKVDKSCU-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB O=C(NCc1cc(-c2cccs2)on1)c1ccc(F)cc1 12235763 SLHGADVWNYMRNA-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)c1cn(-c2ccccc2)nn1 40073773 XCENOULCDAIWCN-UHFFFAOYSA-N 324.359 3.069 0 40 DGAB Cc1ccc(S[C@H](C(=O)NCc2cccnc2)C(C)C)nc1 50248190 QCAFWCNPPNMKTE-INIZCTEOSA-N 315.442 3.218 0 40 DGAB Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(C(N)=O)c2C)s1 69455453 OGILUGFTWKJCHN-QWHCGFSZSA-N 314.410 3.206 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2cccc(Cl)c2)c1 51356108 JNTVGLMDAKVFKT-UHFFFAOYSA-N 317.772 3.468 0 40 DGAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 101275341 FYOMZZMRODOPJW-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB CC1(C)COc2cc(NC(=O)c3cccs3)ccc2NC1=O 8959189 DIDPNMAZSVJJFQ-UHFFFAOYSA-N 316.382 3.358 0 40 DGAB O=C(NCc1ccccc1)N1CCC(c2ccc(O)cc2)CC1 32891538 VBIWHZVJDKHOEC-UHFFFAOYSA-N 310.397 3.481 0 40 DGAB COc1ccc(NC(=O)C(=O)Nc2cc(Cl)ccc2C)cc1 9995759 TXMCKODGVGXJPP-UHFFFAOYSA-N 318.760 3.234 0 40 DGAB C[C@@H]1OCC[C@H]1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 108494334 QRAHPGKXCTVERX-JOAULVNJSA-N 323.261 3.109 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)s1 21834621 PWMNCDOFGKYKHD-UHFFFAOYSA-N 322.817 3.387 0 40 DGAB O=C(Nc1nccs1)N1CCC(Nc2ccc(F)cc2)CC1 67542520 ZPZKPJQTWPKTMV-UHFFFAOYSA-N 320.393 3.391 0 40 DGAB CC1=NN(C(=O)c2ccc(C)c(Cl)c2)[C@@](O)(C(F)(F)F)C1 527090 CMCFAHCHWSGOTB-LBPRGKRZSA-N 320.698 3.121 0 40 DGAB CCCn1nccc1C(=O)Nc1cnn(Cc2ccccc2C)c1 28245834 VUYIHSFLSYEEBH-UHFFFAOYSA-N 323.400 3.099 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)N1CCc2ccc(O)cc2C1 67617556 JFPNXFBRQCAICQ-QZTJIDSGSA-N 308.381 3.016 0 40 DGAB C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@H]1C2 104560921 HOXQYWDWZORVRA-MNXVOIDGSA-N 302.374 3.362 0 40 DGAB CN(CCCNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 107081979 JQDIBGGKXMZSIW-YESZJQIVSA-N 300.446 3.455 0 40 DGAB C[C@H](CS(=O)(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 107589885 HEINPJFKLRKWRJ-ZIAGYGMSSA-N 307.415 3.406 0 40 DGAB COc1ccc(CN(C)C(=O)CCc2c(C)noc2C)cc1F 56826095 PGVJDBFKQGKSOY-UHFFFAOYSA-N 320.364 3.030 0 40 DGAB CC[C@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@@]1(C)O 35327514 IHZLTVTTYVVGLD-ROUUACIJSA-N 316.401 3.348 0 40 DGAB O=C(CN1CCCC1)NCc1ccc(-c2ccc(Cl)cc2)o1 12552793 DDVHSTCVYMEBEZ-UHFFFAOYSA-N 318.804 3.312 0 40 DGAB CCCc1nnc(NC(=O)CCCOc2ccccc2)s1 1903403 HXQCZKNMPRGWRF-UHFFFAOYSA-N 305.403 3.288 0 40 DGAB COCC(=O)Nc1ccc(Nc2ncnc3sccc23)cc1 44724943 OIVCWUMBRVHDEX-UHFFFAOYSA-N 314.370 3.020 0 40 DGAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 2196831 MKBGYFXAGRYPIX-MRXNPFEDSA-N 314.772 3.064 0 40 DGAB Cc1cc(C)c(CNC(=O)c2occc2-c2ccccc2)c(=O)[nH]1 58268507 KJCIBOAJBGJLSK-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB Cn1cc(CC(=O)N2CCC[C@@H]2c2ccccn2)c2ccccc21 58280266 GTODMTFHDMQNED-LJQANCHMSA-N 319.408 3.480 0 40 DGAB CC[C@@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccco2)CCO1 45153002 UMFJLYLAISDUHL-NVXWUHKLSA-N 314.385 3.189 0 40 DGAB Cc1c(C(=O)N2CCC(CO)CC2)sc2cccc(F)c12 37896496 QBLLWWYXRAKQER-UHFFFAOYSA-N 307.390 3.193 0 40 DGAB O=C(Nc1nncs1)N[C@H]1CCSc2ccc(F)cc21 48309018 FGJWRSHKWRLAEC-VIFPVBQESA-N 310.379 3.036 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1cccc(COC(C)C)c1 48341672 BDXJEDWQNVKOTA-UHFFFAOYSA-N 316.401 3.075 0 40 DGAB NC(=O)c1cc2cc(Cl)ccc2o/c1=N\Cc1ccccc1 13475747 QRYSPBSNKYBYJW-JZJYNLBNSA-N 312.756 3.286 0 40 DGAB Cc1cc(CNC(=O)N(C)Cc2ccc3ccccc3c2)on1 64230520 MBDSAABTMTVLOM-UHFFFAOYSA-N 309.369 3.478 0 40 DGAB O=C(c1cnccn1)N1CCC[C@H](c2nc3ccccc3s2)C1 8104793 VEBPYINRZLVGIE-LBPRGKRZSA-N 324.409 3.106 0 40 DGAB Cc1nc2ccccc2n1CC(=O)Nc1cccc2[nH]ccc12 65479221 LTMKHHRASJXGGD-UHFFFAOYSA-N 304.353 3.465 0 40 DGAB C[C@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 5400057 HMBBXIQFZOUPIW-ZDUSSCGKSA-N 322.364 3.281 0 40 DGAB Cc1ccc(-c2nc(COC(=O)C3=COCCO3)cs2)cc1 4871300 VBJNSJDEUXDBJO-UHFFFAOYSA-N 317.366 3.050 0 40 DGAB C[C@H]1C[C@@H](C)N(C(=O)c2cnn(-c3ccccc3)c2)c2ccnn21 71884180 GIKQICAFGNQRIO-KGLIPLIRSA-N 321.384 3.069 0 40 DGAB Cc1ccc(C)c(Nc2nc(N3CCCC3)nc3nccnc23)c1 9074886 WBMXQXCKKULDFI-UHFFFAOYSA-N 320.400 3.380 0 40 DGAB Cc1csc(C2(NCCOC[C@@H]3CCCO3)CCCC2)n1 83215901 WKIOBEKKEJHUIQ-AWEZNQCLSA-N 310.463 3.006 0 40 DGAB COC(=O)c1ccc(N(C)Cc2csc3ccccc23)nn1 83867713 TYCJPUHNGHHRDK-UHFFFAOYSA-N 313.382 3.114 0 40 DGAB CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccccc1F 9426014 PSSVGAOPVJDVLF-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB CCn1nc(C)cc1C(=O)N(CC(F)(F)F)c1ccccc1 96409894 RNAROPTYANZOTL-UHFFFAOYSA-N 311.307 3.421 0 40 DGAB CC(C)(C)c1cc(C(=O)N2CCOCC2)cc(C(C)(C)C)c1O 9647003 XXYLBVVOEVVWJK-UHFFFAOYSA-N 319.445 3.460 0 40 DGAB CC(C)c1nnc(CN(CCCO)[C@@H]2CCc3ccccc32)o1 71907835 DWWOJYFAPLEVDC-MRXNPFEDSA-N 315.417 3.065 0 40 DGAB CCCCc1nc2ccc(NC(=O)c3c[nH]c(=O)cc3C)cc2[nH]1 89954843 DQFWYRRCUIIJKO-UHFFFAOYSA-N 324.384 3.155 0 40 DGAB CCC[C@@H]1SCCN1C(=O)c1cc(=O)c2ccccc2o1 89950056 XPVCALAXEIUKDI-HNNXBMFYSA-N 303.383 3.108 0 40 DGAB COc1ccc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)cn1 72273762 PDIYXKYJAQTRHI-CYBMUJFWSA-N 317.414 3.223 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)[C@@H](C)Cc3cccs3)C2)no1 72295333 FTWBECJBCIHMJX-WCQYABFASA-N 319.430 3.024 0 40 DGAB c1ccc(CCn2cnc3c2CCN(Cc2ccco2)C3)cc1 97059044 UAZGUAFLWXRDFI-UHFFFAOYSA-N 307.397 3.277 0 40 DGAB C[C@H](C1CC1)n1nccc1NC(=O)CCSc1ccccn1 97013750 WXFHFJCRTFJQRB-GFCCVEGCSA-N 316.430 3.370 0 40 DGAB Cc1csc([C@H](C)CNC(=O)Nc2ccc3c(c2)COC3)n1 97113543 VDAVUFNRYBYBCN-SNVBAGLBSA-N 317.414 3.407 0 40 DGAB O=C(Nc1cccnc1-n1cc(Cl)cn1)c1cccs1 72403857 KLQOGNLUJBEBHE-UHFFFAOYSA-N 304.762 3.235 0 40 DGAB C[C@H](NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 95420795 HOZNOCXIEKQDQS-AWEZNQCLSA-N 321.380 3.452 0 40 DGAB CC(C)c1nccn1CCC(=O)N1C[C@H](C)Oc2ccccc21 73584911 SWALWDCHODYJAQ-AWEZNQCLSA-N 313.401 3.211 0 40 DGAB CS[C@@H](C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 89340943 PLBFDBSTNIYPHQ-QPUJVOFHSA-N 322.257 3.285 0 40 DGAB COC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@H]2[C@]1(O)C(F)(F)F 409106418 LYTQNJILMVMVKP-RWEMILLDSA-N 322.327 3.138 0 40 DGAB O=C(Nc1ccnc2ccnn12)c1ccccc1-c1ccncc1 1526829182 UVGQHUUMAIBHLT-UHFFFAOYSA-N 315.336 3.044 0 40 DGAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCCN2C)n1 72382357 AQGOCGPPQZYPGD-LBPRGKRZSA-N 303.435 3.450 0 40 DGAB C[C@H](NC(=O)Cc1ccccc1O)c1csc(C2CC2)n1 79036752 CFJYZFJFDRTVAU-JTQLQIEISA-N 302.399 3.146 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCc2c(F)cccc21 79320596 IVSPHKCFVBILHK-QLJPJBMISA-N 315.392 3.083 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C 78879702 PAPAFNJUWDWHQR-BTJLNZGRSA-N 314.385 3.282 0 40 DGAB COc1cccc(C)c1NC(=O)N1CCC2(CCOCC2)CC1 225483183 VOOWMBQUVKWSBI-UHFFFAOYSA-N 318.417 3.428 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N(C)Cc2ccc(C)cc2)c1 44902605 VHWCUVHLXXBCRI-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB Cc1ccnc(NC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 40434825 RIMSKQAOZWMYGG-CQSZACIVSA-N 305.422 3.449 0 40 DGAB O=C(Nc1ccc(Cl)cc1)Nc1cnc(N2CCCC2)nc1 224261690 ZGZFNBNJSNZKAF-UHFFFAOYSA-N 317.780 3.374 0 40 DGAB C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1ccsc1 80892273 WFYGWQJHKHWRRP-CQSZACIVSA-N 313.781 3.178 0 40 DGAB C[C@@H]1C[C@@H]1[C@@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 195530907 YTPSAVQKARNDPK-PJQXDXOGSA-N 317.820 3.130 0 40 DGAB O=S(=O)(Nc1cc(-c2ccccc2)[nH]n1)c1ccc(F)cc1 82347884 GNTWYFRLZUHIHF-UHFFFAOYSA-N 317.345 3.017 0 40 DGAB Cc1cc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)c(C)o1 49029313 SKGLHPXKJNGWAH-UHFFFAOYSA-N 318.358 3.272 0 40 DGAB Cc1cc(CN2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)on1 96414983 IPSJAQHKZUCJMK-CQSZACIVSA-N 302.349 3.217 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2cccc(C)c2)cc1C 96658852 RKTWWTPGILCXLL-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB O=C(NC[C@H](O)C1CC1)Nc1sc2ccccc2c1Cl 96406763 KFKJKXOIYDXLCU-JTQLQIEISA-N 310.806 3.447 0 40 DGAB C[S@@](=O)c1ccc(CNc2ccc(OC(F)F)cn2)cc1 91734893 LDKBTHBXWYMVIZ-NRFANRHFSA-N 312.341 3.033 0 40 DGAB CCc1nc(CN(C)Cc2cccc(OC(F)(F)F)c2)no1 96470280 YCNFWYJHZBRNOL-UHFFFAOYSA-N 315.295 3.163 0 40 DGAB C[C@@](O)(CNC(=O)Nc1cc(Cl)ccc1F)c1ccco1 96433804 FMVAFWMOFQDDLO-CQSZACIVSA-N 312.728 3.101 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2cccs2)C1 96435901 FFFZWSOCSMQOOI-RYUDHWBXSA-N 324.446 3.058 0 40 DGAB COc1ccccc1-c1ccc([C@@H](C)N(C)S(C)(=O)=O)cc1 96428366 RTZYOIHCXNWKKO-CYBMUJFWSA-N 319.426 3.315 0 40 DGAB COCC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2ccnn21 247828393 GTLRHMOJLWENMO-GOSISDBHSA-N 322.412 3.025 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1cnccn1 257319157 VQZOWSFOSSIYNG-SFHVURJKSA-N 320.396 3.254 0 40 DGAB c1cncc(CO[C@H]2CN(C3CCCC3)Cc3cccn3C2)c1 253588933 ZKRNZIKJTSAMGS-LJQANCHMSA-N 311.429 3.227 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@@H](c2ccncn2)C1 257217799 DAQUGXPOHJYQPC-OAHLLOKOSA-N 315.392 3.264 0 40 DGAB CCO[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 252487093 HSKCREWISDNSGE-MRVPVSSYSA-N 309.259 3.130 0 40 DGAB Cc1cc(O)c(C(=O)N2CCCCC[C@H]2c2ccncc2)cn1 266097847 CNIICPMEFBSSCC-INIZCTEOSA-N 311.385 3.248 0 40 DGAB O=C(Nc1ccccc1C(=O)N1CCCCC1)NC1CCCC1 43488886 HWXOKLCKPRZKDA-UHFFFAOYSA-N 315.417 3.377 0 40 DGAB COc1ccccc1C[C@H](C)N(C)C(=O)NC1CCSCC1 78942284 WNSNYCIZHJHAPP-ZDUSSCGKSA-N 322.474 3.163 0 40 DGAB O=C(O)CCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 5568158 NWXVOHKXIBXXSI-UHFFFAOYSA-N 305.161 3.370 0 40 DGAB C[C@@H]1C[C@@H](C)CN(Cc2nc(-c3cccnc3Cl)no2)C1 12239377 GRQQYLLOZJIVLI-GHMZBOCLSA-N 306.797 3.263 0 40 DGAB CCCC1(CCC)NC(=O)N(CCOc2ccc(F)cc2)C1=O 13112923 MVHRNJAFLZMLDR-UHFFFAOYSA-N 322.380 3.095 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(C)cc1 16083757 RCMTVPGFACGXRW-ZDUSSCGKSA-N 305.399 3.043 0 40 DGAB Fc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19842417 MPKNCPVSEPNVPJ-RYRKJORJSA-N 300.421 3.156 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1C 19933815 PIPDNAFGNNUPSN-ZDUSSCGKSA-N 313.353 3.408 0 40 DGAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cc[n+]([O-])cc1 24154143 PCVPZAPTTSDFCO-UHFFFAOYSA-N 305.337 3.316 0 40 DGAB O=C(/C=C/c1ccco1)NCc1csc(Br)c1 40090934 ZMNCHOMDPAILMU-ONEGZZNKSA-N 312.188 3.433 0 40 DGAB CSc1ccc(CN(C)C(=O)c2cccc3c2OCO3)cc1 40151238 HGTICBMDIHQALK-UHFFFAOYSA-N 315.394 3.409 0 40 DGAB CCCn1/c(=N/C(C)=O)sc2cc(Br)ccc21 5183144 CTJZOGACNHIGBC-OWBHPGMISA-N 313.220 3.323 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)c1 10900808 AESDIBKKKZIBHL-UHFFFAOYSA-N 324.424 3.104 0 40 DGAB CCc1nc(C)c(C(=O)NCc2ccccc2CN(C)C)s1 50553377 HSURGATZXYPTRT-UHFFFAOYSA-N 317.458 3.006 0 40 DGAB CC1(C)[C@]2(C(=O)N3CCCc4ccccc43)CC[C@@]1(C)C(=O)O2 407361 ABWBCQMJMOTENL-RBUKOAKNSA-N 313.397 3.088 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 514392 ITIGFFDTJHOIAX-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N[C@@H](C)[C@@H]1CCCO1 40533954 QUNFNFFSGIOADC-ONGXEEELSA-N 306.387 3.009 0 40 DGAB CC[C@]1(CCC(C)C)C(=O)NC(=O)N(c2ccccc2)C1=O 1605074 YEAUIGJGKUKBDE-KRWDZBQOSA-N 302.374 3.102 0 40 DGAB COC(=O)c1ccccc1C[C@@H](Cc1ccccc1)C(=O)OC 1646089 KXYNIWSTCAWPES-MRXNPFEDSA-N 312.365 3.048 0 40 DGAB O=S(=O)(NCc1ccc(Cl)cc1Cl)C1CCCC1 6220095 BBEADWYSMKEWQY-UHFFFAOYSA-N 308.230 3.355 0 40 DGAB C[C@H](O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 7540905 URMYNGAXHBPSJY-XJKSGUPXSA-N 301.386 3.269 0 40 DGAB Fc1ccccc1Sc1ccccc1CNC1=NCCN1 346636 ACDQXIPSEPODOU-UHFFFAOYSA-N 301.390 3.026 0 40 DGAB COc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(C)C 8050810 YULXEUJYLNFVHI-UHFFFAOYSA-N 319.426 3.297 0 40 DGAB C[C@@H](OC(=O)c1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 8773503 MYFYHOIXFXVCNU-XUXNNNHQSA-N 315.413 3.356 0 40 DGAB CCCCNC(=O)COc1ccc(C2SCCS2)cc1 32707977 BZARMLIIILNICU-UHFFFAOYSA-N 311.472 3.460 0 40 DGAB CCCCCNC(=O)N[C@@H](c1ccccc1F)c1nccn1C 29723166 PRMYMUGSGMQFGM-HNNXBMFYSA-N 318.396 3.138 0 40 DGAB CCOc1ccccc1C(=O)Nc1onc2c1C[C@H](C)CC2 11917593 BZMDCGFYLJEYSA-LLVKDONJSA-N 300.358 3.450 0 40 DGAB O=C(CSc1ccc2c(c1)CCC2)Nc1ncccc1O 22264098 GCTTYXRFWMVMET-UHFFFAOYSA-N 300.383 3.007 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 69897715 GIIZXRLXMNCLCB-JTQLQIEISA-N 305.403 3.275 0 40 DGAB CCCCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1 2999873 CPIQSJZGQWTRAO-UHFFFAOYSA-N 311.447 3.477 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103769147 MRDDKGSOAPBVGT-FDYHWXHSSA-N 311.376 3.070 0 40 DGAB Cc1cc(NC(=O)NCCCSc2ccc(F)cc2)n(C)n1 43433304 FOYDGPJNQGFVHQ-UHFFFAOYSA-N 322.409 3.172 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCCn2nc(C)cc2C)C1(C)C 27084558 ANHHANPOLFHIAI-CVEARBPZSA-N 303.450 3.245 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1 44794609 UGIAUKFOJHMSGM-UHFFFAOYSA-N 323.352 3.358 0 40 DGAB COc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1 409221134 LIUIQNDZQRBLIK-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB Cc1ccc([C@H](C)NC(=O)c2cccc(N3CCOC3=O)c2)o1 44967008 GIDSLPHRSQAXFQ-LBPRGKRZSA-N 314.341 3.036 0 40 DGAB CC(C)CCN(C(=O)Nc1ccc(S(C)(=O)=O)cc1)C1CC1 48345286 FNUNREOEGQOZIC-UHFFFAOYSA-N 324.446 3.133 0 40 DGAB Cc1csc(S[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)n1 3405751 LOHMPVKQCIDKCL-VIFPVBQESA-N 322.411 3.300 0 40 DGAB CCOc1ccc(CCNC(=O)c2occc2C)cc1OCC 12921515 GOOUVDQNPCXMBC-UHFFFAOYSA-N 317.385 3.358 0 40 DGAB C[C@@H]1c2ccsc2CCN1CC(=O)N(C)c1ccccc1 12910126 GOZJDZVZGPGMPV-CYBMUJFWSA-N 300.427 3.330 0 40 DGAB Cc1nc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)co1 49548734 FIIQTEFJQOSTJS-UHFFFAOYSA-N 317.761 3.470 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 119920206 ZLNLCTBRERNGCL-CQSZACIVSA-N 319.449 3.024 0 40 DGAB Cc1[nH]c2ccc(C(=O)Nc3c4c(nn3C)CCC4)cc2c1C 65552700 UOXZJTKUTGZCAX-UHFFFAOYSA-N 308.385 3.259 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)/C=C/c2ccccc2)c(C)c1 8207833 BFKHKVCAWSIEJW-PKNBQFBNSA-N 322.408 3.462 0 40 DGAB COc1cccc(N2CC[C@@H](CNC(=O)C3CCCCC3)C2)c1 69531429 OKDWZUAHNMLOPB-HNNXBMFYSA-N 316.445 3.218 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc2c(c1)CCC2 8727796 LDDCRMRQAIACIC-UHFFFAOYSA-N 320.392 3.320 0 40 DGAB NC(=O)c1cccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)c1 9592741 KEDQRDDJYVKCAK-UHFFFAOYSA-N 314.772 3.109 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1C 8883666 XVKDQDWKLUNCAI-NSHDSACASA-N 316.323 3.249 0 40 DGAB CO[C@H](C(=O)Nc1cccc(C(F)(F)F)n1)c1ccccc1 71854104 ZGBOHEQZIYFQMT-ZDUSSCGKSA-N 310.275 3.427 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)CCCn1ccnc1C 71883555 QTGPQRNPWLZMBS-UHFFFAOYSA-N 323.400 3.105 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Nc2ccc(Br)cc2)no1 9114801 HHASVLWMJKYQDM-VIFPVBQESA-N 324.178 3.185 0 40 DGAB Cc1cc(OCC(=O)Nc2cccc(C(F)(F)F)c2)no1 9112049 RZBFCDWKUNFOGH-UHFFFAOYSA-N 300.236 3.019 0 40 DGAB CC1CCC(=CC(=O)N2CCC[C@@H](CNC(=O)C(C)C)C2)CC1 71908123 DFGGMPPRQJYCHC-LWKPJOBUSA-N 320.477 3.134 0 40 DGAB O=C(NOCc1ccccc1)Nc1cnn(-c2ccccc2)c1 72295095 HGSHGWWTNYKXOF-UHFFFAOYSA-N 308.341 3.126 0 40 DGAB CCc1nnc([C@H](C)S(=O)(=O)[C@H]2CCCc3ccccc32)o1 75610547 DPGZYACZBHJASX-FZMZJTMJSA-N 320.414 3.185 0 40 DGAB Cc1nc(CN2CCCN(CCc3ccccc3)CC2)cs1 97001552 QYUHTMYXUUOWHX-UHFFFAOYSA-N 315.486 3.202 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccn(CC(F)F)n2)[C@@H]2CCCC[C@H]12 97083039 CDFPJHIZTVPAHO-IJLUTSLNSA-N 312.364 3.191 0 40 DGAB COc1ccc(C(=O)N2CCN(c3ccc(C)cc3C)CC2)cc1 72331232 WVPPDARPSJSIFM-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB CCc1ccc(CNc2ccccc2CN2CCC(O)CC2)o1 95415492 RJPOQZSDFHZOLX-UHFFFAOYSA-N 314.429 3.411 0 40 DGAB CCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c(C)c1 78993366 USLMYNWKEOCNTE-BBRMVZONSA-N 306.406 3.066 0 40 DGAB Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(C)c2)[nH]n1 78939154 GZVRUYQHKABNLV-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB CC[C@]12CCCN1C(=O)N(Cc1cnc(CC(C)C)s1)C2=O 95992624 YELNUYIMUPRDQQ-MRXNPFEDSA-N 321.446 3.048 0 40 DGAB Cc1cccc(C(=O)Nc2cc(-c3ccccc3C)nn2C)n1 74285436 ZPDBDFARLLJINS-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB CC1=NC[C@H](C)NC(C)(C)CC(C)=N[C@H](C)CNC(C)(C)C1 1547138098 VPWMRWNDCNUCTC-CVEARBPZSA-N 308.514 3.215 0 40 DGAB biogenic CCc1cnc(COc2cc(F)ccc2-c2ccnn2C)o1 527030499 JKGBVAHRQSRQBS-UHFFFAOYSA-N 301.321 3.356 0 40 DGAB COC(=O)CCCc1nc(COc2ccc(C)cc2Cl)no1 77240859 JRJUKLXTHZVACS-UHFFFAOYSA-N 324.764 3.106 0 40 DGAB COc1ncc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1C 72217761 DXVVCCYZRCLKTJ-UHFFFAOYSA-N 322.405 3.276 0 40 DGAB CC[C@@H](C)c1ccc([C@H](C)NC(=O)c2nc3ncccn3n2)cc1 36611693 WAHTVDRTUWBVOR-OLZOCXBDSA-N 323.400 3.129 0 40 DGAB C[C@H]1C[C@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1 79030344 VIEIVFIPFDINAZ-GWCFXTLKSA-N 316.382 3.116 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1 78403871 PMYQTSKQGWAQOI-LBPRGKRZSA-N 316.426 3.406 0 40 DGAB Clc1ccc2c(-c3ccccc3)nc(N3CCNCC3)nc2c1 136886004 IFLRYHMXKKMNLJ-UHFFFAOYSA-N 324.815 3.360 0 40 DGAB CC[C@H](C)NC(=O)[C@@H](C)n1cc(-c2ccc(OC)cc2)cn1 227154293 DMSYEDOUPIGUCV-QWHCGFSZSA-N 301.390 3.034 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(F)s1 225388034 NNYOTXAWLPPGLV-UHFFFAOYSA-N 301.364 3.087 0 40 DGAB Cc1cccc(OCC(=O)NCc2cccc(OC(C)C)c2)c1 46656137 ZRBUMFRFHQLXNT-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB CNC(=O)c1cc(N)ccc1Nc1cccc(Br)c1 225471160 VJZMHJPWFANVBB-UHFFFAOYSA-N 320.190 3.135 0 40 DGAB CC(C)NC(=O)Cc1ccc(NCc2ccc(Cl)nc2)cc1 96453331 IYEQIHDQEMEABF-UHFFFAOYSA-N 317.820 3.414 0 40 DGAB COc1ccsc1C(=O)N[C@@H](c1nc(C)cs1)C1CC1 96425430 SVPHRDNHBJWOOV-LLVKDONJSA-N 308.428 3.403 0 40 DGAB CC(C)c1nsc(N(C)Cc2ccc3c(c2)OCCO3)n1 530594532 BSTVLPKRNLBYAQ-UHFFFAOYSA-N 305.403 3.069 0 40 DGAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1cccc(C)c1)C2 96077027 GEPWDFYPRQONNO-IBGZPJMESA-N 314.429 3.002 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc(O)c(C(F)(F)F)c2)o1 96474066 HKUMGLLPSCXJMD-UHFFFAOYSA-N 300.236 3.268 0 40 DGAB C[C@@H]1COc2ccccc2N1C(=O)Cc1noc2ccccc12 96443207 VSIFWRMMYYOQHP-GFCCVEGCSA-N 308.337 3.184 0 40 DGAB COC(=O)[C@@H](C)Cc1ccc(NC(=O)c2scnc2C)cc1 97376314 KCGLGWOYRBSVGT-JTQLQIEISA-N 318.398 3.055 0 40 DGAB CNc1cc([C@H]2CCCN(C(=O)Cc3cccs3)C2)ccn1 257342346 ZOFOFLSQEXWICA-AWEZNQCLSA-N 315.442 3.134 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ncccn1 585131257 QEUZDHYKUVFYDV-CQSZACIVSA-N 301.777 3.036 0 40 DGAB CCCN(CCC)c1nn(-c2ccccc2Cl)nc1C(=O)O 256046229 DPFZTNSMZHYARB-UHFFFAOYSA-N 322.796 3.245 0 40 DGAB COc1cccc(C2=NCC(=O)N(C)c3ccc(Cl)cc32)c1 675082106 AVSZDJRSHHAYJU-UHFFFAOYSA-N 314.772 3.162 0 40 DGAB CCCc1nc(CS(=O)(=O)[C@@H]2CCCc3ccccc32)no1 65762202 HZIKGFXAGQMRBL-CQSZACIVSA-N 320.414 3.015 0 40 DGAB Nc1ncnc2[nH]nc(-c3cccc(Oc4ccccc4)c3)c12 64516373 UHEYNNXOPKMSPN-UHFFFAOYSA-N 303.325 3.394 0 40 DGAB COc1ccc(-c2cc(C)nc(SCC(=O)O)c2C#N)cc1 83136032 HNTLBOZRSARDBB-UHFFFAOYSA-N 314.366 3.114 0 40 DGAB CCNC(=O)C(C)(C)CN[C@H](C)c1cnc2ccsc2c1 95991713 KRZWADNRVCSOJO-LLVKDONJSA-N 305.447 3.109 0 40 DGAB CCc1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 244959 IUXMIKKSOXYWPB-UHFFFAOYSA-N 301.411 3.391 0 40 DGAB CC(C)C(=O)Nc1cccc(NC(=S)NC(=O)C(C)(C)C)c1 5842139 XQAGTDTYYOGOKX-UHFFFAOYSA-N 321.446 3.140 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)NC1CCCCC1 14009879 POYJFSGEAGGVSK-UHFFFAOYSA-N 303.406 3.281 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3ccc(F)cc3s2)C1 1889115686 HJSDGDQQYMATAL-SNVBAGLBSA-N 321.421 3.176 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(Cn2cccn2)c1 32467539 RACJCFUQJMRHKK-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB Clc1ccc([C@H]2NCCc3cc4c(cc32)OCCO4)cc1 140505 VJKFUDOPNYBESG-QGZVFWFLSA-N 301.773 3.346 0 40 DGAB Cc1cccc(-c2[nH]ncc2CN[C@@H](C)[C@@H](C)n2cccn2)c1 69368402 FZNBUMQHKSPRAQ-LSDHHAIUSA-N 309.417 3.321 0 40 DGAB Cc1noc([C@@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)n1 40528426 VXYFOAIWXATWPD-LLVKDONJSA-N 322.430 3.352 0 40 DGAB Cc1noc(CCCC(=O)NCC(C)(C)c2ccccc2C)n1 69349373 XJCMBOPYTVMOKJ-UHFFFAOYSA-N 315.417 3.103 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2F)c1 3611306 SYRYMXLFXOWJOB-UHFFFAOYSA-N 305.280 3.185 0 40 DGAB CN(C(=O)COC(=O)c1ccc(F)c(Cl)c1)c1ccccc1 51354033 QCAOFIONJHYSCX-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCn2c1nc1ccccc12 29375163 OWCDIGKOSGBIPR-UHFFFAOYSA-N 303.321 3.443 0 40 DGAB CCCCC[C@H]1[C@H](CC(=O)OC)CC[C@@H]1NCCCN(C)C 4834895 DITWSVCWNJUFDK-ULQDDVLXSA-N 312.498 3.066 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(C(N)=O)c2C)c1 69419094 KDOPLXZKVFMMDI-HOTGVXAUSA-N 308.381 3.145 0 40 DGAB CCOc1ccccc1CN(C[C@@H](C)O)C(=O)c1ccccc1 32819155 YOIZEFHHHZUZEL-OAHLLOKOSA-N 313.397 3.109 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(F)ccc1C 12321005 BKWPJRLCYNIOLQ-MRXNPFEDSA-N 317.316 3.432 0 40 DGAB CCN(C(=O)Cc1coc(-c2cccs2)n1)c1cccnc1 75133398 QDANKNOYEVIUJA-UHFFFAOYSA-N 313.382 3.394 0 40 DGAB Cc1noc(C)c1CSCC(=O)NCCc1ccc(F)cc1 22747380 FUEVSBKRUQTZMF-UHFFFAOYSA-N 322.405 3.023 0 40 DGAB C[C@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 23191967 XAWNWLNBOYVUDS-NSHDSACASA-N 305.403 3.132 0 40 DGAB c1cncc(CN(Cc2ccco2)c2ccc3nccnc3n2)c1 89634845 MJBTWPUCGZZBMI-UHFFFAOYSA-N 317.352 3.220 0 40 DGAB Cn1c(=S)[nH]c2sc3c(c2c1=O)CCc1ccccc1-3 1310243 HIWINDCWZAEIFH-UHFFFAOYSA-N 300.408 3.423 0 40 DGAB COC(=O)c1sccc1NC(=O)N(C)Cc1ccsc1 25077850 QFFQLDRIYWQQGJ-UHFFFAOYSA-N 310.400 3.260 0 40 DGAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCc2ccccc2C1 24958873 FZOGWAZOOZSLIP-UHFFFAOYSA-N 321.355 3.414 0 40 DGAB C/C(=C/C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2)C1CC1 56458727 QKOGJMWPDASNHI-LLNWESEBSA-N 314.433 3.024 0 40 DGAB CCS(=O)(=O)N(CCc1ccccc1)Cc1ccccc1 57466028 KKZJFVJUSRUSPZ-UHFFFAOYSA-N 303.427 3.081 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2cc3ccccc3oc2=O)[nH]n1 58180467 ZQSJURUPZXDPDO-UHFFFAOYSA-N 311.341 3.066 0 40 DGAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(F)c(F)c1 27590465 QEQFOUSBTYHHMT-ZETCQYMHSA-N 311.357 3.262 0 40 DGAB CCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)(C)CC3=O 2130528 QYZLHFFMYNPSMN-UHFFFAOYSA-N 302.326 3.108 0 40 DGAB biogenic COc1ccc(NC(=O)Nc2c(C)nn(C(C)C)c2C)cn1 44972660 WURDNIRWDVPQQB-UHFFFAOYSA-N 303.366 3.128 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)CCc2ccccc2)no1 58331446 PNOPAQCEPCYYAK-UHFFFAOYSA-N 315.417 3.351 0 40 DGAB CCN(CCc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 48236925 YBCMOUITFUJVEM-UHFFFAOYSA-N 313.426 3.049 0 40 DGAB COc1cc(NC(=O)NC2CCCCC2)ccc1NC(C)=O 48385122 FECJMHPJUDOTND-UHFFFAOYSA-N 305.378 3.108 0 40 DGAB COc1cccc(CN(C)C(=O)c2c(C)oc(C)c2C)c1OC 48354103 FRBBZNZXTFCALG-UHFFFAOYSA-N 317.385 3.494 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 3424619 JTTWSMCJZKIWTD-CZUORRHYSA-N 303.402 3.155 0 40 DGAB Cc1noc([C@@H](C)OC(=O)c2cccn2Cc2cccs2)n1 62588677 MEQKJJAOKUJLDQ-SNVBAGLBSA-N 317.370 3.207 0 40 DGAB O=C(NCCNC(=O)c1cccs1)c1ccc2ccccc2c1 8402091 SDVFDIGEOZOGLV-UHFFFAOYSA-N 324.405 3.061 0 40 DGAB CCN(Cc1noc(C)n1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69561591 GZOSKPZWDFGHEP-WMLDXEAASA-N 314.433 3.035 0 40 DGAB COC(=O)[C@@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 4301961 SKLQEDHKPXCTNN-GFCCVEGCSA-N 314.341 3.162 0 40 DGAB COc1ccc(CNCc2cc3cccc(C)c3[nH]c2=O)cc1 6493824 KDLNVFUOBDMNGB-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB C[C@@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccs1 14186155 BXEHHBAUTBKSQE-GFCCVEGCSA-N 318.446 3.349 0 40 DGAB C[C@]1(C(=O)Oc2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 4539899 UVRPUUGEVWBEBJ-QGZVFWFLSA-N 316.740 3.417 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cccn3)C2)s1 65614370 KUGGTJVHAOBVFB-RRFJBIMHSA-N 315.442 3.220 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)c1 69951674 ZEWDQWAZAHDYDA-CYBMUJFWSA-N 321.783 3.289 0 40 DGAB C[C@]1(c2ccco2)NC(=O)N(Cc2cccc3ccccc23)C1=O 8775604 NXNQVGIWOYZTPA-LJQANCHMSA-N 320.348 3.400 0 40 DGAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccc(Cl)cc1 7492430 GEMARUUKATYCHF-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB O=S(=O)(Nc1ccccc1Cl)c1cc(F)cc(F)c1 16101117 LHDPYJKGDBONBB-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccccc2C)c1 7863485 UOUGTFBAVZYHRG-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB CN(Cc1cccs1)c1cc(=O)n2cc(Cl)ccc2n1 7989320 WEMVXJBFHBUNPA-UHFFFAOYSA-N 305.790 3.046 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 9500639 QTTKPAQKGXRCHZ-LBPRGKRZSA-N 301.317 3.434 0 40 DGAB CCC(C)(C)N[C@@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 96012322 FGLLVZOVKOYANI-LBPRGKRZSA-N 305.422 3.059 0 40 DGAB CS(=O)(=O)Nc1sccc1Oc1ccc(F)cc1F 96190737 WHKHWGYOAZVJSG-UHFFFAOYSA-N 305.327 3.190 0 40 DGAB O=C(Nc1nccs1)c1c[nH]c(=S)n1-c1ccccc1 9468996 MTISWBRQBNYQFC-UHFFFAOYSA-N 302.384 3.244 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)CCc2c(C)noc2Cl)no1 71841345 CKJCNXKJZORVGR-ZDUSSCGKSA-N 323.780 3.229 0 40 DGAB O=C(c1cccnc1)N(Cc1ccccc1)CC1(O)CCCC1 89832545 FHUOHCTVBSKEBV-UHFFFAOYSA-N 310.397 3.029 0 40 DGAB CCOC(=O)Nc1cccc(N[C@@H](C)c2cnn(C)c2)c1C 97037545 GABVGFRRODLWEH-LBPRGKRZSA-N 302.378 3.470 0 40 DGAB CCCN(CCC)C(=O)CN1CCCC[C@@H](SCC)C1 78650653 PMZXWNSHEIOGGQ-OAHLLOKOSA-N 300.512 3.243 0 40 DGAB C[C@H]1[C@@H](c2ccccc2)C[C@@H](C)N1C(=O)CCn1ccccc1=O 78874513 RALZUZZIAYTDMO-RYRKJORJSA-N 324.424 3.032 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1 78935203 GCBUEZJESSSYDJ-HUUCEWRRSA-N 323.506 3.102 0 40 DGAB C[C@@H]1C[C@@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCC1=O 95449128 UDSALBHZGYQGJA-UHIISALHSA-N 321.804 3.285 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12 95417757 SNCKKDVYDGNLSP-CXAGYDPISA-N 308.381 3.410 0 40 DGAB CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@H](N(C)C)C1 95408049 BVBCURZBNLCSLC-SJORKVTESA-N 318.461 3.007 0 40 DGAB O=C(N[C@H]1CCOC2(CCCCC2)C1)N1C[C@H]2CC=CC[C@H]2C1 98020616 HGBJFVZFPATBRM-BBWFWOEESA-N 318.461 3.476 0 40 DGAB COc1cccc(C(=O)Sc2nnc(-c3ccco3)o2)c1 408533973 UIVSOEIGNALLQW-UHFFFAOYSA-N 302.311 3.271 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1sc(C)nc1C 39976005 QZZSMZBUXIHWLS-UHFFFAOYSA-N 318.398 3.151 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1CC(C)C 72219422 AIRKICCXRFMXAI-SFHVURJKSA-N 317.477 3.410 0 40 DGAB CSC[C@H](CCO)NC(=O)Nc1ccc(Cl)cc1Cl 77658917 OWURASVMXOYIDZ-VIFPVBQESA-N 323.245 3.229 0 40 DGAB COc1ccc(OCCNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1 36644352 JXEUDDZJCRJDBD-IAGOWNOFSA-N 317.429 3.429 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 74120326 SOAXGBJOVPNHGL-HZPDHXFCSA-N 306.475 3.104 0 40 DGAB Cc1ccccc1C(=O)Nc1c(C)cc(-n2cnnc2)cc1C 72228955 UFBNEWUNEDMAKO-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1OC 43210448 BGPQLHPPKNFWCG-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222794342 XYHIJTZKNWYYOE-HZPDHXFCSA-N 314.458 3.456 0 40 DGAB CNc1nc(-c2ccc(OC)c(NC(=O)C(C)C)c2)cs1 226098147 BKHSMRRBAUWRCU-UHFFFAOYSA-N 305.403 3.455 0 40 DGAB CCCOc1c(C)cc(I)cc1C(=O)O 225279234 CZAXCXAQIHEEQP-UHFFFAOYSA-N 320.126 3.087 0 40 DGAB CCn1cc(NC(=O)N(C)[C@@H](C)Cc2ccccc2OC)cn1 80620627 OKELXORMPVDLCX-ZDUSSCGKSA-N 316.405 3.007 0 40 DGAB CC/C(=C\C(=O)NN1CCCCC1=O)c1cccc(Cl)c1 98015985 RTSFAHPHWNSAHV-VAWYXSNFSA-N 306.793 3.177 0 40 DGAB COc1ccc2nc(C(=O)OCc3scnc3C)ccc2c1 91693326 KQXGZSUEHYGPRA-UHFFFAOYSA-N 314.366 3.365 0 40 DGAB Cc1ccc(CN2CCn3c(CN(C)C(C)C)cnc3C2)s1 96061776 QJDMXQQQHBZWBB-UHFFFAOYSA-N 318.490 3.109 0 40 DGAB CC(C)Cc1sc(Cl)nc1C(=O)NCC1CCOCC1 96224086 XSMNRHBHYZRFHM-UHFFFAOYSA-N 316.854 3.151 0 40 DGAB CCNC(=O)CCCC(=O)N1CCCC[C@@H]1c1ccc(C)cc1 96423823 KXDJIRXIVKUZIH-QGZVFWFLSA-N 316.445 3.355 0 40 DGAB COc1ccc(N(C)c2ccc3ccc(C(=O)N(C)C)cn23)cc1 96146217 WRRGMNHRZZRNHD-UHFFFAOYSA-N 323.396 3.418 0 40 DGAB Cc1nc([C@H](C)NC(=O)N[C@@H](C)CCc2cccn2C)cs1 96440013 KGAMYWLMIVXDLD-RYUDHWBXSA-N 320.462 3.172 0 40 DGAB O=C(N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)[C@@H]1CCOC1 96486550 JNKSMMFNVVINLH-PWSUYJOCSA-N 321.726 3.486 0 40 DGAB Cc1ccc(-c2ncc(CNc3cnccc3CO)s2)o1 96486286 BIQBXDULHQBNET-UHFFFAOYSA-N 301.371 3.211 0 40 DGAB CC[C@@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96524867 CQIYIBYSVHLNNL-DLBZAZTESA-N 303.427 3.177 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 257295311 QXVIEJITLTZCRH-AWEZNQCLSA-N 315.442 3.104 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)[C@H](C)OCC(C)C)c2)[nH]1 585131442 VYSRFHDHFALSFQ-ZDUSSCGKSA-N 301.390 3.385 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2ccnc3ccccc23)C1 257227761 FQTRZCIQNUVFGB-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB CC(C)OC(=O)NC[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 725240086 XZGSVCZBEXKUQJ-JOCQHMNTSA-N 314.426 3.205 0 40 DGAB C[C@H](NC(=O)N[C@H](C)[C@H]1CCCO1)c1ccc(Cl)s1 93119807 WUVYJPFEHNNJHR-KXUCPTDWSA-N 302.827 3.329 0 40 DGAB O=C(COc1ccc(Cl)cc1)NCCc1ccc(F)cc1 5465925 ZHTMCQVJCZAAQW-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@@H](c1ccc(Cl)cc1)N2 13123915 XBFMEHHFYZYVBC-RYUDHWBXSA-N 315.764 3.253 0 40 DGAB Cc1ccc(C(=O)NC(=S)NCc2ccco2)c(Cl)c1 14257801 NYPOBQGGEMCUAZ-UHFFFAOYSA-N 308.790 3.046 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCCCC1)[C@@H]2C(=O)O 17031219 HUDUFLMCJZOISQ-SJXGUFTOSA-N 305.418 3.082 0 40 DGAB CCn1nc(C)c(-c2cncn2C[C@H](C)N2CCCCC2)c1C 19719612 ROXNMEURZIJCFY-AWEZNQCLSA-N 315.465 3.258 0 40 DGAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736631 FAOLUHGCWZIELD-NSHDSACASA-N 302.349 3.376 0 40 DGAB CC[C@@H](N[C@H](C)Cn1cc(Br)cn1)c1ccncc1 163711753 KNQAJUOKOIXNTA-BXUZGUMPSA-N 323.238 3.170 0 40 DGAB CC(C)Oc1ccc(NC(=S)NCc2cccnc2)cc1 202992409 SGDVPMJIJSRRFO-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@@H]2CCc3ccccc32)cc1 29390709 YGXURNURXSVVQR-QGZVFWFLSA-N 317.410 3.003 0 40 DGAB c1c(CN2CCC(c3nnc(C4CC4)o3)CC2)noc1C1CC1 1849249903 AJNULMIHNSOUGJ-UHFFFAOYSA-N 314.389 3.192 0 40 DGAB CCc1noc(C)c1C(=O)N(C)Cc1cnn(-c2ccccc2)c1 30550875 IQGXGVPYUQDYQB-UHFFFAOYSA-N 324.384 3.003 0 40 DGAB COc1cc2c(cc1OC)CN(c1cnc3ccccc3n1)CC2 30619438 NVVDJAPMDGAFPD-UHFFFAOYSA-N 321.380 3.210 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2ccccc2F)cc1 11693645 KADBLONHCADNKN-UHFFFAOYSA-N 300.377 3.254 0 40 DGAB Cn1nnc2c(SCc3cccc4ccccc34)ncnc21 13531985 NPUMCYRYPBQWFH-UHFFFAOYSA-N 307.382 3.204 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CC2)c1ccco1 13695421 FNZVIGSJUNRUKZ-UHFFFAOYSA-N 322.320 3.328 0 40 DGAB CC(C)CCn1c(CCNC(=O)C(C)C)nc2ccccc21 560834 PPFUOMXIZIURLV-UHFFFAOYSA-N 301.434 3.397 0 40 DGAB C[C@@H]1Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2[C@@H]1C 2298092136 FVDKDYKMIDIVEI-NEPJUHHUSA-N 306.365 3.400 0 40 DGAB Fc1cccc(Nc2nnnc3c2cnn3-c2ccccc2)c1 49029821 PXCWWQYAQCGMIR-UHFFFAOYSA-N 306.304 3.093 0 40 DGAB CCCCCC(=O)N1CCN(c2ccccc2OCC)CC1 5393169 PVZFQAJTOVJHJC-UHFFFAOYSA-N 304.434 3.314 0 40 DGAB COc1ccc(C2=NNC(=S)C3=CNc4ccccc4N32)cc1 31288 VKWBGEBJYGLATL-UHFFFAOYSA-N 322.393 3.061 0 40 DGAB Cc1c(O[C@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCCC3 107619 ZEPUTSVZUGFVPT-LLVKDONJSA-N 316.353 3.222 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)c2cccc(C)c2)cc1 11381254 LOTBVJIELODSFV-UHFFFAOYSA-N 303.383 3.041 0 40 DGAB CCc1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)s1 40535239 XHMLBCUBWXNFBW-UHFFFAOYSA-N 315.398 3.092 0 40 DGAB CC(C)[C@@H](NCC(=O)N(C)Cc1ccco1)c1ccc(F)cc1 16046944 YSPXPJPRRXAVIW-GOSISDBHSA-N 318.392 3.364 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104656 HDBFDASDLMVRNX-VFDGBHAHSA-N 322.489 3.112 0 40 DGAB biogenic,in-vitro Clc1ccc([C@@H]2C[C@@H](c3cccnc3)Nc3ncnn32)cc1 221845 ZWDSITQGTDZQNH-GJZGRUSLSA-N 311.776 3.473 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 8243162 LGHAEUFMDYNDKZ-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB CC(C)C[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 10959001 ZRJHPUYNZGSXHF-INIZCTEOSA-N 308.385 3.475 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2OC)C1=O 101275840 SWWJAKYQGMQVNS-HNNXBMFYSA-N 324.380 3.002 0 40 DGAB CNc1nc(NCc2ccc3c(c2)OCO3)nc2ccccc12 41146817 MNRBLUKZCGWVJW-UHFFFAOYSA-N 308.341 3.012 0 40 DGAB COc1cccc([C@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)c1 525892 RPJMORVOBIOOAH-HZPDHXFCSA-N 321.384 3.015 0 40 DGAB COc1ccccc1S(=O)(=O)N(C)[C@@H](C)c1ccc(F)cc1 53698821 SJJLBIARXHQOFO-LBPRGKRZSA-N 323.389 3.216 0 40 DGAB O=C(Cc1ccccc1)N1CCc2[nH]c3ccc(F)cc3c2C1 12409349 QYXUVPBCWSXXEH-UHFFFAOYSA-N 308.356 3.434 0 40 DGAB CCCNC(=O)NCc1ccc(CN2CCC[C@H](C)C2)cc1 47675962 KVCVMJDYRURWQR-HNNXBMFYSA-N 303.450 3.128 0 40 DGAB O=C(c1cncc(Br)c1)N1CCC[C@H]1c1ccc[nH]1 42375570 JNAWRSAGCJANBI-ZDUSSCGKSA-N 320.190 3.150 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 104879504 HWIXGTMIDPYTFK-DVZHBHJUSA-N 312.413 3.126 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(NC(=S)NC2CC2)cc1 54971629 RZRCLXIXBGTODS-LBPRGKRZSA-N 317.458 3.150 0 40 DGAB OC1CCN(Cc2ccc(Br)cc2Cl)CC1 57860713 UHRORWMDQSJGFK-UHFFFAOYSA-N 304.615 3.059 0 40 DGAB CCC(CC)c1nnc(NC(=O)Cc2csc(C)n2)s1 7995609 KZTYUCYCYMDJQT-UHFFFAOYSA-N 310.448 3.388 0 40 DGAB CCNC(=O)NCc1ccc(Oc2ccccc2OCC)nc1 55328824 DSTNEBJFFUDJLJ-UHFFFAOYSA-N 315.373 3.092 0 40 DGAB Cc1ccc([C@]2(O)CN3C=CC=CC3=[N+]2C2CCCCC2)cc1 3324962 BRKSOJZUXBRWCT-HXUWFJFHSA-N 309.433 3.283 0 40 DGAB Cc1cc2ncc(C(=O)N[C@H](C)CCc3ccccc3)c(C)n2n1 27800878 BXRQEMBAINVNEC-CYBMUJFWSA-N 322.412 3.097 0 40 DGAB Cc1ccnc(NC(=O)[C@@H](C)n2nc(C(F)(F)F)cc2C)c1 28235254 RHFIGWWOTWSRHN-SNVBAGLBSA-N 312.295 3.113 0 40 DGAB COc1ccc(Cl)cc1NC(=O)Cc1cn2ccccc2n1 12753564 AURUUZMUYMVBRP-UHFFFAOYSA-N 315.760 3.178 0 40 DGAB CC[C@@H](NC(=O)Cn1c(=O)oc2ccccc21)c1ccc(C)cc1 8036382 KURVDRVVCFIVHE-OAHLLOKOSA-N 324.380 3.170 0 40 DGAB CCc1sc(C(=O)OCc2ccc(C(N)=O)cc2)cc1C 12880218 JWQAZJFITOGGDT-UHFFFAOYSA-N 303.383 3.075 0 40 DGAB Cc1cccc(NC(=O)CCNC(=O)c2cccs2)c1C 12973197 CSEADTIDHUWHKB-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB O=C(CCN1CCSC1=O)Nc1cccc2c1CCCC2 12929654 ZVNBWKNNBQSRQN-UHFFFAOYSA-N 304.415 3.063 0 40 DGAB O=C(/C=C/c1ccc(-n2ccnc2)cc1)N1CCc2ccccc21 8129570 FNLDBRZEZQOSQP-JXMROGBWSA-N 315.376 3.475 0 40 DGAB CCc1ccccc1OCC(=O)Nc1ccc(OC)c(OC)c1 3611657 CVYUWVQULILZSN-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)OCc1ccc(C(N)=O)cc1 16817920 XKLDETYRMYRRGD-LBPRGKRZSA-N 315.394 3.010 0 40 DGAB O[C@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 69351870 SXUOFRFIQASDJV-HXUWFJFHSA-N 311.425 3.401 0 40 DGAB CCN1CCc2ncnc(N3CCC[C@@H]3c3ccccc3)c2C1 65487624 KRCONLBYCROIRC-GOSISDBHSA-N 308.429 3.196 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 14197595 ZORNRICNCBPTMG-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB Cc1ccc(CN2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)cc1 69656732 HJIJFECMSMKTGU-SFHVURJKSA-N 318.380 3.485 0 40 DGAB Cc1ccc(C)c(C[S@@](=O)CC(=O)NC2CCCCC2)c1 66293759 PPUYNVYBAFUYNI-NRFANRHFSA-N 307.459 3.001 0 40 DGAB CCCCc1ccc(Nc2nnc(SCC(N)=O)s2)cc1 6784833 RBPJYNIUDDWYGC-UHFFFAOYSA-N 322.459 3.202 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1ccn(C)n1 14899656 BKJKASASNJIMMD-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB CNc1nnc(SCC(=O)c2cc(C)n(C3CC3)c2C)s1 7102626 FEASAMQDWHVFCY-UHFFFAOYSA-N 322.459 3.308 0 40 DGAB Cc1ccccc1OCCCNC(=O)[C@@H]1C[C@@H]1c1cccnc1 69809520 FUDMJFKTBQMGPI-IAGOWNOFSA-N 310.397 3.079 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1 69846317 SYZHJYVEJGPGNZ-XJKSGUPXSA-N 323.820 3.199 0 40 DGAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccccc1Cl 8828890 PKXGDYSGFVAGSX-ZDUSSCGKSA-N 324.833 3.038 0 40 DGAB CC[C@H](OC(=O)c1ccc(C)cc1C)C(=O)Nc1cc(C)on1 9076982 XITYRGZDRWCYFR-AWEZNQCLSA-N 316.357 3.174 0 40 DGAB COc1cc(CN[C@@H]2CCOc3ccccc32)cc2c1OCO2 71831319 HEHWFRQSDLIXSG-CQSZACIVSA-N 313.353 3.037 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccccc2N2CCN(C)CC2)c1 9339314 SFNFBHLTZIYOQL-UHFFFAOYSA-N 323.440 3.308 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)NC2CCCCC2)c1 28306012 NRUOSGAIAPQVCJ-GFCCVEGCSA-N 306.406 3.397 0 40 DGAB Cc1nc(CNC(=O)N[C@H](c2ccccn2)C(C)C)sc1C 96440641 NTOUQNCZAZTYSP-HNNXBMFYSA-N 318.446 3.351 0 40 DGAB COCCCNC(=O)c1ccc(-c2nc3ccccc3o2)cc1 72193678 NXXDOLFPEWCNAS-UHFFFAOYSA-N 310.353 3.261 0 40 DGAB CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)O)o1 97018319 IQWZGEXXVZOOIF-XHDPSFHLSA-N 301.342 3.034 0 40 DGAB CN(Cc1ccc(Oc2ccccc2)o1)C1CCS(=O)CC1 97057394 HGUHVONBBBLUHW-UHFFFAOYSA-N 319.426 3.415 0 40 DGAB CCCC(=O)N[C@@H]1CCN(C(=O)CCC)c2ccc(OC)cc21 97137907 MBQMRUGCGWHZHU-OAHLLOKOSA-N 318.417 3.189 0 40 DGAB O=C(c1cccnc1OCC(F)F)N1CCC[C@@H]2CCC[C@H]21 89816326 OGRLWRXIBBFVFM-WCQYABFASA-N 310.344 3.130 0 40 DGAB O=C(Cc1ccccc1)NCc1cnoc1-c1ccc(F)cc1 72332252 VTQMHJBIBVWGLT-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB C[C@H](CSC(C)(C)C)NCCc1nnc2n1CCCCC2 95419799 FHPHUXSNKQHLSJ-CYBMUJFWSA-N 310.511 3.057 0 40 DGAB Cc1nnc(-c2cccc(NCc3cccc4c3OCO4)c2)o1 95429201 GIGBTYNEAXGPFR-UHFFFAOYSA-N 309.325 3.386 0 40 DGAB O[C@@H]1C[C@H](C2CCCCC2)N(C[C@H](O)c2ccc(Cl)cc2)C1 95459089 POSTXSRYADKAGM-KURKYZTESA-N 323.864 3.389 0 40 DGAB CN1CCN(Cc2coc(-c3cccc(F)c3)n2)c2cccnc21 95446780 RMLMMQVULPKAPG-UHFFFAOYSA-N 324.359 3.332 0 40 DGAB CC(C)c1cccc(CN2C(=O)N(C)C3(CCCCC3)C2=O)n1 95979987 SYMPZJHOMSAYJU-UHFFFAOYSA-N 315.417 3.302 0 40 DGAB CN(C(=O)c1coc(Br)c1)c1ccc2c(c1)OCO2 89365375 ODGTVFITLWBEDE-UHFFFAOYSA-N 324.130 3.047 0 40 DGAB Cc1cc(NC(=O)c2cccnc2)n(-c2ccc(Cl)cc2)n1 78547981 QZKWFXRJDTZQPC-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COCc1nc(C)cc(Oc2ccc(Br)cc2)n1 75040792 AROCVWDBIHVALM-UHFFFAOYSA-N 309.163 3.486 0 40 DGAB OCC1(CN[C@@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 521396918 GKZZKQUMBXYFKK-QZTJIDSGSA-N 303.446 3.092 0 40 DGAB C[C@H](NC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 35313698 FGYNLHYPJDPKLK-RDJZCZTQSA-N 324.424 3.449 0 40 DGAB COCc1cc(NC(=O)N2CC3(CCC3)c3ccccc32)ncn1 556577205 FHHAEVHEXKNZAL-UHFFFAOYSA-N 324.384 3.097 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCc2c(F)cccc21 79320602 IVSPHKCFVBILHK-MGPLVRAMSA-N 315.392 3.083 0 40 DGAB c1cncc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)c1 72378632 DSYPPXSQVCIRTA-QGZVFWFLSA-N 319.412 3.042 0 40 DGAB CCCn1nc(-c2ccccc2Cl)cc(C(=O)OCC)c1=O 225964388 LYKRECYRRYYKPQ-UHFFFAOYSA-N 320.776 3.150 0 40 DGAB CCSc1nnc(NC(=O)Nc2cccc(OC)c2)s1 225764962 YMCLERQDKIMZRL-UHFFFAOYSA-N 310.404 3.303 0 40 DGAB Cc1cc(C)cc(C2=CCN(C(=O)Nc3cnns3)CC2)c1 192339459 VRPVNVPIHMHTGX-UHFFFAOYSA-N 314.414 3.476 0 40 DGAB CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123215 BRKKGXKFYZPXAQ-OCCSQVGLSA-N 305.422 3.479 0 40 DGAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(C)cc1 199416270 ZOTUREJAUOYZPB-LJQANCHMSA-N 309.409 3.485 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2ncccc2C)cc1 225466972 CJCWYJBRVAKHHJ-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB Fc1cccc(CN2C[C@H]3CN(Cc4ccsc4)C[C@@H]3C2)c1 96053856 HOBCYVPQUSKGDG-IRXDYDNUSA-N 316.445 3.451 0 40 DGAB Cc1cccc([C@H](C(=O)O)N2CCN(c3ccccc3C)CC2)c1 91690125 KSKQXNKKNDLJMI-LJQANCHMSA-N 324.424 3.251 0 40 DGAB Cc1nc([C@@H]2COCCN2C(=O)/C=C/c2cccs2)cs1 96219143 YAIGXKCJJCCWPJ-NNTXTVRGSA-N 320.439 3.126 0 40 DGAB Cc1ccc(CN2CCc3ncnc(-c4cccnc4)c3CC2)o1 96255311 GOPBGYSRRFBCBN-UHFFFAOYSA-N 320.396 3.041 0 40 DGAB CC(C)(C)OC(=O)NCC1(Cc2cccc(F)c2)CCNCC1 96029502 IWQSJRFOSQAZLO-UHFFFAOYSA-N 322.424 3.263 0 40 DGAB COc1c(F)cc(NC(=O)N[C@H]2CCCC[C@@H]2OC)cc1F 96434207 DZRKJSSZPKENSQ-STQMWFEESA-N 314.332 3.053 0 40 DGAB C[C@H](CC(=O)c1cccc(F)c1)C(=O)N(C)Cc1ccccn1 96426252 TWVXDNFFUVNTJT-CYBMUJFWSA-N 314.360 3.088 0 40 DGAB CS(=O)(=O)c1ccc([S@@](=O)CCCC2CCCC2)cc1 96476338 ISJZDTQKFXLTBZ-LJQANCHMSA-N 314.472 3.168 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)on1 91058908 QTNVFZSDNRNXKL-JSGCOSHPSA-N 324.739 3.036 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CNCc1cccc(CS(C)(=O)=O)c1 97098604 XZLQSDKYVUYQRP-CRAIPNDOSA-N 321.486 3.313 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)c1ccc(F)cc1 55750778 YYFMSMACTOAQJS-BZNIZROVSA-N 301.317 3.017 0 40 DGAB COc1ccc(CC(=O)NCC(C)(C)CC(C)C)cc1OC 75107342 COQFINVBLYXUTE-UHFFFAOYSA-N 307.434 3.435 0 40 DGAB C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(F)c1 96421368 NQYOULZEHGRIRV-ZDUSSCGKSA-N 302.349 3.241 0 40 DGAB COC(=O)[C@]1(Cc2ccccc2)Cc2c(C)ccc(C)c2C1=O 5538120 LPZPSVOHIIQMJG-HXUWFJFHSA-N 308.377 3.444 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@@H](C)C3)c12 14898713 UJYRNZPHFBMLRM-LLVKDONJSA-N 312.417 3.026 0 40 DGAB CC[C@@H]1C[C@@H](CC(=O)N[C@@H](O)C(Cl)(Cl)Cl)C1(C)C 16636772 MSTJZJHELXZLQI-WEDXCCLWSA-N 316.656 3.254 0 40 DGAB Cc1ncc(C(=O)Nc2cccc(Br)c2)c(C)n1 19936954 KJPWZMNBOZKBFX-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB C[C@H](Oc1cccc2c1CCC2=O)C(=O)Nc1cccc(F)c1 11100657 FYSCEIQGSNEUSD-NSHDSACASA-N 313.328 3.361 0 40 DGAB Cc1cc(F)cnc1C(=O)NCc1ccc(Br)cc1 1889138946 GDAOPKDBUASHDU-UHFFFAOYSA-N 323.165 3.222 0 40 DGAB Cc1c(C(=O)C(=O)N2[C@H](C)CCC[C@H]2C)c2ccccc2n1C 4062416 HGWUDJQFEMKJJU-CHWSQXEVSA-N 312.413 3.459 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cc2ccccc2oc1=O 40017376 OIBUSEHXYJGNKJ-MRXNPFEDSA-N 305.333 3.210 0 40 DGAB O=C(c1ccn(-c2ccccc2Cl)n1)N1CCCSCC1 50582975 LASAOTXUAOCHDE-UHFFFAOYSA-N 321.833 3.105 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NC[C@@H](c1ccco1)N(C)C 40487709 NDIGOTOELCRVHF-STQMWFEESA-N 321.446 3.346 0 40 DGAB CC1CCN(CCCCNC(=O)NCc2cccc(F)c2)CC1 45608230 YCDIOEQIHFGASJ-UHFFFAOYSA-N 321.440 3.137 0 40 DGAB CCC(C)=C1[C@H]2C=C[C@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]21 100773085 AFCXYLNPPATXIV-YLGOIMDESA-N 311.356 3.474 0 40 DGAB COC(=O)c1ccc(NC(=S)NCCc2cccs2)cc1 6624756 DNDSYRQYVHJYDO-UHFFFAOYSA-N 320.439 3.064 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccsc1)CC(O)=N2 20722835 PTXSZZIBFXVKIO-LLVKDONJSA-N 311.370 3.156 0 40 DGAB Cc1cc(C2=CSC3=NCCN23)c(C)n1-c1nccs1 101914465 KOKKLFALQRYNIG-UHFFFAOYSA-N 302.428 3.267 0 40 DGAB C[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2 53698080 WTVPBBZICHPOSL-CQSZACIVSA-N 315.438 3.356 0 40 DGAB CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2C1=O 59864541 AYNRRKAUKGRPMZ-UHFFFAOYSA-N 312.163 3.340 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 8278295 DGKYJKZUFKLCMP-ZWNOBZJWSA-N 308.809 3.282 0 40 DGAB COC(=O)Nc1nc2cc([C@@](C)(O)c3cccs3)ccc2[nH]1 8655727 LUSWRDXNXBSGPI-OAHLLOKOSA-N 317.370 3.059 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc2ccccc2[nH]1 32818299 DSHYNPFYNNSLEU-UHFFFAOYSA-N 321.336 3.377 0 40 DGAB CCc1nnc(NC(=O)CCc2nc3ccccc3s2)s1 2653867 JDLXDKFYJCLLIF-UHFFFAOYSA-N 318.427 3.282 0 40 DGAB CC(=O)Oc1ccc2c(=O)c(-c3cscn3)c(C)oc2c1 517373 KELCGHGVKIBKRI-UHFFFAOYSA-N 301.323 3.150 0 40 DGAB biogenic O=C(c1ccc(O)c(Cl)c1)N1CCC[C@@H](C(F)(F)F)C1 24183216 OCZPQIDMJJFXHJ-SECBINFHSA-N 307.699 3.460 0 40 DGAB O=C(NCc1ccccc1)NC[C@H]1CCN(c2ccccc2)C1 24691046 ODMLCOWZRCILAO-QGZVFWFLSA-N 309.413 3.012 0 40 DGAB COc1cc(CNC(=O)Nc2cccc(Cl)c2F)ccn1 43449960 OKQBOVYDFMZOMJ-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB COCc1ccccc1CNC(=O)CCc1ccccc1F 25304878 PFPHEVXBWRKRQY-UHFFFAOYSA-N 301.361 3.221 0 40 DGAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 23038106 NMPHBRMPICEWPD-UKRRQHHQSA-N 321.804 3.417 0 40 DGAB COc1ccccc1CCNC(=O)NCc1sccc1C 26177056 GLSKVPPHGXHEPE-UHFFFAOYSA-N 304.415 3.107 0 40 DGAB CN(C[C@@H]1CCC[C@H]1O)c1ncc(C(F)(F)F)cc1Cl 108361280 MWYUASCPIUPPFT-GZMMTYOYSA-N 308.731 3.351 0 40 DGAB CC[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(OC)cc1 26746162 SHMCTCXBWACBDP-AWEZNQCLSA-N 300.358 3.442 0 40 DGAB CCCS(=O)(=O)Nc1cccc(NC(=O)C2CCCC2)c1C 58168263 ZHBHSBREKQSWDR-UHFFFAOYSA-N 324.446 3.275 0 40 DGAB C[C@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccs1 44891220 KRTZRIUOMAYMIZ-RYUDHWBXSA-N 307.419 3.004 0 40 DGAB CCOc1ccc2oc(C(=O)N3C[C@H](C)O[C@@H](C)C3)c(C)c2c1 10214134 UIEJUIIJOBAHEG-RYUDHWBXSA-N 317.385 3.389 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@@H]1c1ccncc1 44906856 NZLGFKBLDFGFGO-OAHLLOKOSA-N 322.817 3.261 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cncn2-c2ccccc2)c1 12535409 SLTYFOSFMQGIFU-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB CN(C(=O)COC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 3247102 AAQGPIBMXDWJBX-FMIVXFBMSA-N 313.328 3.045 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1cccs1 3344918 ZMBYQWZKUSIBDT-ZDUSSCGKSA-N 304.415 3.298 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(O)c1 3590815 CHSZLEUFAUSWHM-UHFFFAOYSA-N 313.353 3.059 0 40 DGAB Cc1ccc(CNC(=O)COC(=O)c2ccccc2Cl)cc1 3507171 JBHAMAAZUWMVBU-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Cc1cc(Cn2nc(-c3ccco3)oc2=O)c2ccccc2n1 69701907 QMWQWDJKCIFNIJ-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB CN1CCN(C2CCN(Cc3cccc4ccccc34)CC2)CC1 19367823 WYVOODGXKYMXDM-UHFFFAOYSA-N 323.484 3.052 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)CCC(=O)N1[C@@H](C)CCC[C@H]1C 6250067 WGZLMVFPQBJSFZ-YHUYYLMFSA-N 308.466 3.346 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCCO 13957666 HUWISUGMEPCDRI-LJQANCHMSA-N 320.392 3.404 0 40 DGAB Cc1cc(C[S@@](=O)Cc2cc(-c3ccccc3)on2)on1 69820975 NQRBCZHHQGMVOU-OAQYLSRUSA-N 302.355 3.087 0 40 DGAB CC(=O)c1cccc(NC(=O)COc2cccc3c2CCC3=O)c1 14076004 OUDUAKXPCBWGCX-UHFFFAOYSA-N 323.348 3.036 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C[C@@H]1CCCO1 65541721 IVDVZCPEGVUQDM-NSHDSACASA-N 316.323 3.279 0 40 DGAB CSCc1c(C(=O)Nc2ccn(C)n2)oc2ccccc12 14158979 KJWPJVWUMIOSRR-UHFFFAOYSA-N 301.371 3.282 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1cccs1 4550788 DLUHSJLCFZPXOP-CQSZACIVSA-N 324.490 3.477 0 40 DGAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cn(C)nc2C)S1 71286413 AADLCHYRBFCLGL-GFCCVEGCSA-N 305.407 3.098 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)no1 67888459 UJIVLIMGWPNZMC-LLVKDONJSA-N 305.403 3.022 0 40 DGAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1cccc(F)c1 7409087 MIZPKHSQXICNPT-UHFFFAOYSA-N 317.288 3.228 0 40 DGAB O=C(CCC1CCCC1)OCC(=O)c1ccc2c(c1)OCO2 7738102 AVRIXIBKNICKEW-UHFFFAOYSA-N 304.342 3.112 0 40 DGAB O=C(NCc1cccc(C(F)(F)F)c1)NCc1ccccn1 8164503 VIBANGWCEDXECT-UHFFFAOYSA-N 309.291 3.100 0 40 DGAB C[C@H](NC(=O)c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 9367110 TWLPQPVDVMDJAB-LBPRGKRZSA-N 308.385 3.120 0 40 DGAB c1ccc(-c2nccn2Cc2nc(-c3cccs3)no2)nc1 71888738 JLZNRSNNSOFTCF-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc2c(c1)OCO2 9698655 QDFJHHQFCJOBSS-XOVSCCBYSA-N 307.349 3.406 0 40 DGAB O=C(Nc1ncccc1OCC1CCCCC1)c1ccon1 72056745 RUZIHGCKBJHLLF-UHFFFAOYSA-N 301.346 3.281 0 40 DGAB CCCCS(=O)(=O)N[C@@H](C)c1cccc(C(F)(F)F)c1 72019008 DVYRKHZOUHPNOM-JTQLQIEISA-N 309.353 3.486 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC1CCN(c2nccs2)CC1 97036969 RGKCLBQFWXVLHT-SNVBAGLBSA-N 306.435 3.068 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c(F)c1 97032936 FVWOUDNTKZKXOK-GFCCVEGCSA-N 307.365 3.097 0 40 DGAB O=C([C@H]1CCCO[C@@H]1c1ccccc1)N1CCc2cnccc21 97084716 LHLBPJPRPWLIPA-FUHWJXTLSA-N 308.381 3.139 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)o1 97018892 SBYKTCMIVSQZNW-OLZOCXBDSA-N 319.744 3.051 0 40 DGAB COc1cccc(CNC(=O)c2ccc(Cl)cc2OC)c1 72331748 DWKAJFCFSIRWAW-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(CCn1ccc2ccccc21)NCc1cn2ccsc2n1 84598691 OTUPUPWYKBAVOH-UHFFFAOYSA-N 324.409 3.057 0 40 DGAB O=C1C[C@@H](NCc2cccc3cccnc23)CN1c1ccccc1 84549414 IUTTWUULMURZGT-QGZVFWFLSA-N 317.392 3.130 0 40 DGAB Fc1cc(N2CC[C@H](NCc3cccnc3)C2)ccc1Cl 95448952 VERXKYXBUGDZCL-ZDUSSCGKSA-N 305.784 3.243 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NCc1nc2ccccc2n1C 95978166 MMTMZEVHAJUWKP-KBXCAEBGSA-N 309.413 3.175 0 40 DGAB COc1ccc2c(c1)[C@H](NC[C@@H](O)c1ccsc1)CCCO2 95968293 ZOHKSHNINHQTOI-HZPDHXFCSA-N 319.426 3.294 0 40 DGAB CC(C)c1nnc(NCc2ccc(Oc3cnccn3)cc2)o1 95992304 JHRXUHXXBBJNCK-UHFFFAOYSA-N 311.345 3.387 0 40 DGAB Cn1ncnc1CN[C@@H](c1ccc2c(c1)CCC2)c1cccs1 86190046 QTGUPJPKPGUCGV-SFHVURJKSA-N 324.453 3.245 0 40 DGAB COc1ccc(-c2nnc(C(C)=O)n2Nc2ccc(C)cc2)cc1 36649189 DNFRHULYEHAFII-UHFFFAOYSA-N 322.368 3.340 0 40 DGAB O=C(NCc1cc(F)cc(F)c1)c1ccc(OC(F)F)cc1 30164553 XFIKVIGJGNTJTP-UHFFFAOYSA-N 313.250 3.496 0 40 DGAB CCc1ccc(CN(C(=O)c2nccn3ccnc23)C2CC2)cc1 72881395 ODFYBFHLRFOJCO-UHFFFAOYSA-N 320.396 3.097 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC[C@@H](Cc2nccs2)C1 72384996 GFYDBHYSCATAJS-LBPRGKRZSA-N 304.390 3.377 0 40 DGAB CSC[C@@H](CCO)NC(=O)Nc1ccc(Cl)cc1Cl 77658916 OWURASVMXOYIDZ-SECBINFHSA-N 323.245 3.229 0 40 DGAB COCCOc1cc(C(=O)Nc2ccc(Cl)cc2)ccn1 182244966 JUANNVIDQSSFQS-UHFFFAOYSA-N 306.749 3.013 0 40 DGAB CCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c2cccnc12 225892007 ISLYLNRXNAZKLG-GOSISDBHSA-N 314.385 3.387 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)O)cc2)s1 225458459 BIBUMGUISLAIQB-SNVBAGLBSA-N 318.398 3.291 0 40 DGAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCOc2ccccc2)c1 224293241 VHYTZOZTUQQNHH-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCNC(=S)Nc1nc(C)c(Cl)cc1Br 223866211 BHSDYFTZNDZRHI-UHFFFAOYSA-N 308.632 3.112 0 40 DGAB Fc1ccc([C@@H](NCC[C@H]2CCCO2)c2ccccc2)nc1 195560616 KZGQKDTVRXWEDA-AEFFLSMTSA-N 300.377 3.469 0 40 DGAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccncc2)cc1 96431930 AHJRMVOAHKDGCT-IBGZPJMESA-N 324.424 3.254 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@@H](CC)c2nccs2)s1 96447356 XETAMXQJPASHDO-NSHDSACASA-N 324.475 3.455 0 40 DGAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)c1ccc(O)cc1F 97095340 OFAVHJIEWMPGOT-SNVBAGLBSA-N 319.380 3.282 0 40 DGAB CC(C)c1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)no1 96461743 SLOCRHDGFLYLOE-NSHDSACASA-N 303.366 3.280 0 40 DGAB O=C(OCc1nccn1Cc1ccccc1)C1CCSCC1 96420043 QCFUDDVSIKUOIS-UHFFFAOYSA-N 316.426 3.118 0 40 DGAB COc1cc(C)ccc1Oc1ccc(N[C@@H](C)C(N)=O)cc1F 96501951 LZPXBCALJKASDU-NSHDSACASA-N 318.348 3.221 0 40 DGAB COC(=O)[C@@H](Nc1cnn(C)c1)c1cccc(Cl)c1Cl 97377337 AKEJZXWYNXQQSX-LBPRGKRZSA-N 314.172 3.053 0 40 DGAB c1cncc(CN2CC[C@@H](OCC3CC3)[C@H]2Cc2ccncc2)c1 247807002 AIKMYJPRYXMOTA-WOJBJXKFSA-N 323.440 3.089 0 40 DGAB CN(C)Cc1ccnc([C@@H]2CCCN2C2CCCCCC2)n1 257309594 UBNGBKFGVSBJFH-KRWDZBQOSA-N 302.466 3.398 0 40 DGAB CC(C)CNC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 252495577 OTVCKWCUOGXERH-UHFFFAOYSA-N 315.417 3.018 0 40 DGAB CC1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253476862 BTIIZGYDRCRTFM-DWRORGKVSA-N 309.494 3.311 0 40 DGAB COc1ccc(-c2noc(C3CCN(C(C)C)CC3)n2)cc1 585133604 NEEPZUNMNADRCS-UHFFFAOYSA-N 301.390 3.333 0 40 DGAB Cn1cnc(CSc2ncnc3sc4c(c23)CCC4)c1 585118819 CXWNUYJNMPIJLM-UHFFFAOYSA-N 302.428 3.206 0 40 DGAB CN1CCCCC12CCN(C(=O)/C=C/c1cccs1)CC2 585102459 SJYRLICDQWRLAU-VOTSOKGWSA-N 304.459 3.238 0 40 DGAB CN(Cc1nc(-c2cc(Br)cs2)no1)C1CC1 49237532 UIWHQAPZDPXGNT-UHFFFAOYSA-N 314.208 3.155 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(O)(C(F)(F)F)C2 57218913 SRWMBKLQRIYBBO-UHFFFAOYSA-N 309.328 3.091 0 40 DGAB O=C1CCC[C@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccccc1 1547139816 MHLMBYWVPBTMRI-ZJOUEHCJSA-N 320.436 3.323 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1OC 5000701 OEKLSOPCASZPLC-DHZHZOJOSA-N 315.350 3.110 0 40 DGAB Cc1cc2c(s1)c1cn[nH]c(=O)c1n2Cc1ccc(F)cc1 12114194 GTZSGOFLBZKJNS-UHFFFAOYSA-N 313.357 3.435 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)NC1CCCCC1 14009219 WEDWHTCNGGAOBB-UHFFFAOYSA-N 303.406 3.279 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 16347130 HFPGREXJLCMVAK-JLUCKKNBSA-N 301.773 3.350 0 40 DGAB O=C1NC(c2ccccc2F)=N/C1=C\c1ccccc1Cl 16448996 RPKIVVHXMNJUEM-ZROIWOOFSA-N 300.720 3.397 0 40 DGAB CCCc1cc(=O)[nH]c(SCc2nc3ccccc3o2)n1 16049978 RLZZWUPFXZAVOI-UHFFFAOYSA-N 301.371 3.156 0 40 DGAB CN(c1ccccn1)C1CCN(c2nccc3occc23)CC1 1889149400 QLRJLNVGLZKQLW-UHFFFAOYSA-N 308.385 3.328 0 40 DGAB Cc1nccc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)n1 1889151729 KYRAKTAQSRSUCR-UHFFFAOYSA-N 321.428 3.494 0 40 DGAB CC(C)C(=O)N1CCC(COc2cc(C3CCC3)ncn2)CC1 1776001044 WKLJNNMLWQDAQD-UHFFFAOYSA-N 317.433 3.018 0 40 DGAB CCCN(CCC)c1ccc(C(=S)N2CCOCC2)cc1 2700732 IUIMAOSAVMBBRB-UHFFFAOYSA-N 306.475 3.321 0 40 DGAB O=C(Nc1cccc2ncccc12)c1ccc2nsnc2c1 38488647 UUXHONYAUIVVOC-UHFFFAOYSA-N 306.350 3.492 0 40 DGAB ClC1(Cl)C[C@@H]1CNc1ccc(-c2nnnn2C2CC2)cc1 40061512 SYVGZSOVSKZYOB-SNVBAGLBSA-N 324.215 3.281 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(-c3ccco3)n2C)cc1 413174 VWRCKROGRIKXHX-UHFFFAOYSA-N 313.382 3.359 0 40 DGAB O=C(NCc1ccc(COCC(F)(F)F)cc1)c1ccncc1 11251598 LNGQJVQZMSHCGJ-UHFFFAOYSA-N 324.302 3.091 0 40 DGAB Cc1ccsc1CNC(=O)C[C@](C)(C(=O)O)c1ccccc1 28901168 UAYQVAJPZLALRJ-KRWDZBQOSA-N 317.410 3.105 0 40 DGAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(F)cc1)C2 1369909 IRSRFHBPJOAFHA-IAGOWNOFSA-N 304.409 3.351 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1OC 40525906 PPUPERLJQNSEAS-NSHDSACASA-N 304.346 3.488 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104658 HDBFDASDLMVRNX-JZSTXODBSA-N 322.489 3.112 0 40 DGAB biogenic,in-vitro Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(C)c1 4475575 OHVNSEOPTYGXHQ-UHFFFAOYSA-N 314.410 3.205 0 40 DGAB CCc1nc(SCC(=O)NC2CC2)c2c(C)c(C)sc2n1 4888850 XMQYKKUPEHTHLQ-UHFFFAOYSA-N 321.471 3.241 0 40 DGAB Cc1ccc([S@](=O)/C=C\S(=O)(=O)c2ccc(C)cc2)cc1 4962232 GTPJYKULSJJURI-DUQGCJEPSA-N 320.435 3.356 0 40 DGAB COc1ccc(-c2csc3nc(C)oc(=O)c23)cc1OC 349928 BZBNGFGVRMXZLT-UHFFFAOYSA-N 303.339 3.242 0 40 DGAB Cc1ccc2[nH]c(SCc3nnnn3-c3ccccc3)nc2c1 8156906 CCQAMMVQUMAEBD-UHFFFAOYSA-N 322.397 3.139 0 40 DGAB COC(=O)c1ccc(COc2ccccc2Br)o1 499816 GTYZBMRBFGOSBJ-UHFFFAOYSA-N 311.131 3.408 0 40 DGAB CSc1nc(C)cc(Nc2ccc(N3CCOCC3)cc2)n1 11907847 JIMIVJRMNMWSHW-UHFFFAOYSA-N 316.430 3.087 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)CCc2cccs2)c1 8705068 CVEQBWJNKZIUBY-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB O=C(O)[C@@H](Cc1cc(Cl)cc(Cl)c1)N1CCCCC1 57630382 UIGCWNBSNMVFHW-CYBMUJFWSA-N 302.201 3.475 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(F)cc2F)cc1 22895507 FXRULAWJPNGVFG-UHFFFAOYSA-N 318.323 3.195 0 40 DGAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccn2)CC1 100750003 VCCBWXJLVRBABR-JTDSTZFVSA-N 323.440 3.318 0 40 DGAB Cc1cc2cc(NC(=O)[C@H](C)Sc3nncs3)ccc2[nH]1 42770438 XEHHVSONEKREPA-VIFPVBQESA-N 318.427 3.447 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cc(-c2ccccc2)[nH]n1 12507157 YHYMCPOKMCKDGK-MRXNPFEDSA-N 303.365 3.494 0 40 DGAB COc1ccc2c(c1)C=C(C(=O)Nc1ccc(F)cc1F)CO2 1391487 IVTXZPOKNDQZPO-UHFFFAOYSA-N 317.291 3.388 0 40 DGAB CCCCN(CC)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 12552714 LEZZLTGIWJREHH-OAHLLOKOSA-N 302.418 3.226 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCCC2)cn1 25661500 FPKRIRQEJOIAFU-UHFFFAOYSA-N 320.396 3.344 0 40 DGAB CCC(CC)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 35655439 USXAJEAZBYNCGD-UHFFFAOYSA-N 300.358 3.450 0 40 DGAB Cc1nc(/C=C/C(=O)N(C)CCOc2ccccc2)cs1 58265715 OGQPNNNNRLOAGF-CMDGGOBGSA-N 302.399 3.002 0 40 DGAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1F 3390566 IEOTUJZDWXWEPP-CSKARUKUSA-N 313.328 3.329 0 40 DGAB CCC[C@@H](C)C(=O)OCC(=O)Nc1nc2ccccc2s1 3329704 ZLIHITHKSZVYQD-SNVBAGLBSA-N 306.387 3.214 0 40 DGAB FC(F)(F)c1cc(N[C@@H]2CCc3ccccc32)n2ncnc2n1 48250136 VRMCBVHZRSYSCX-LLVKDONJSA-N 319.290 3.243 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 12927586 MRCMUZSYEMEFSI-UHFFFAOYSA-N 319.307 3.307 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)c(C)c1 12973199 ZZKHKAOVXVPTFJ-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB COc1ccccc1CNC(=O)CCc1c[nH]c2ccccc12 3609124 SKVPKWHQYSTTPZ-UHFFFAOYSA-N 308.381 3.426 0 40 DGAB CC1(C)CCCN1S(=O)(=O)c1ccc(Br)s1 63074721 CUCUZLCRFXMTNL-UHFFFAOYSA-N 324.265 3.074 0 40 DGAB O=C(NCCc1csc(-c2cccnc2)n1)c1cccs1 4167024 SQDCABSRWBRCQG-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69535556 DHLWACPMRGSXDX-CVEARBPZSA-N 321.428 3.388 0 40 DGAB Cc1cccc(C[C@@]2(C(=O)O)CCCN2C(=O)OC(C)(C)C)c1 4241039 ZIGTYSBIVWDRDS-GOSISDBHSA-N 319.401 3.392 0 40 DGAB c1ccc(Nc2nc(Nc3ccccc3)n3cnnc3n2)cc1 5338457 ZTLMRJSFEWCDQL-UHFFFAOYSA-N 303.329 3.007 0 40 DGAB c1coc(-c2nnc(CN(C3CC3)C3Cc4ccccc4C3)o2)c1 69618836 XTKLUWYUDTVAMG-UHFFFAOYSA-N 321.380 3.461 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(F)c1)N(C)C3=O 5557445 SQTMDZPUXFKPMN-INIZCTEOSA-N 323.323 3.416 0 40 DGAB COc1ccc(OS(=O)(=O)c2ccc(Cl)c(C)c2)cc1 5749993 DYVZSBFGGSRKGU-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)c1ccco1 66803645 OFMONIRQBIPKQE-UHFFFAOYSA-N 308.341 3.127 0 40 DGAB CC[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343811 GYNOORPTNAEXOA-KBMXLJTQSA-N 303.402 3.187 0 40 DGAB COc1ccc(NC(=O)NCc2ccccc2CO)c(Cl)c1 71850152 UHWRYABBUGBULJ-UHFFFAOYSA-N 320.776 3.163 0 40 DGAB Clc1ccc(CNCCOC[C@H]2CCCO2)c2ncccc12 89807727 MPHNTFYRTLXRBH-CQSZACIVSA-N 320.820 3.173 0 40 DGAB Cc1ccc(CN2C(=O)N[C@@](C)(c3cccs3)C2=O)cc1 9515526 DAXMLKPHBLAPAL-INIZCTEOSA-N 300.383 3.024 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)C1=NO[C@H](c2ccccc2)C1 72288818 MKPVFKPZSLFNJH-HNNXBMFYSA-N 306.325 3.019 0 40 DGAB CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@H]2CO)cc1 84284369 RIWPNEKFMTTZMO-DOTOQJQBSA-N 303.446 3.194 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)c(C)o1 97199032 LSQMELMWKQJKIT-ZDUSSCGKSA-N 315.417 3.135 0 40 DGAB C[C@@H](c1ccsc1)N1CCN(C(=O)Nc2ccccn2)CC1 97142222 UVIPVCQTPNJHDN-ZDUSSCGKSA-N 316.430 3.054 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cc2ccccc2o1)c1cccs1 72307159 NKYPTHWCZKSYNV-NSHDSACASA-N 315.350 3.440 0 40 DGAB CCOc1cc(CN[C@@H](C)c2ccc([S@@](C)=O)cc2)ccn1 95420328 QVGXJNYLPAUNTH-XMHCIUCPSA-N 318.442 3.069 0 40 DGAB COC(=O)N1CCC(N[C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 95420826 AYAJCXGTFNIMLW-ZIAGYGMSSA-N 320.433 3.008 0 40 DGAB COc1ccc2c(c1)C[C@H](NCc1cccc(NC(C)=O)c1)CC2 95435738 XJFREFQWFIPZBK-GOSISDBHSA-N 324.424 3.301 0 40 DGAB C[C@@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(Cl)c1 73487161 DPADMKLJNSBLEE-WQVCFCJDSA-N 321.852 3.279 0 40 DGAB C[C@@H](CSC1=Nc2ccccc2CS1)CS(C)(=O)=O 95965152 LFDPCHBESXFQRW-JTQLQIEISA-N 315.485 3.335 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)cc1C 36635442 BLCFVHOHOROZME-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2nsc3ccccc23)CC1 34453103 SVEGEVBKWFQUFE-UHFFFAOYSA-N 319.430 3.353 0 40 DGAB Nn1c(Cc2ccccc2)nnc1SCc1ccc(F)cc1 409091917 VRIFRGAPTJDSBP-UHFFFAOYSA-N 314.389 3.014 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC(c3ccccc3)CC2)C1 514775106 NGLLEHGUYFMFNN-IAGOWNOFSA-N 314.473 3.371 0 40 DGAB Cc1csc2ncnc(NCc3ccc4cnn(C)c4c3)c12 515568766 QYBGUGUAWGFODP-UHFFFAOYSA-N 309.398 3.499 0 40 DGAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1occc1C(=O)O 516872689 KZSIPTDWJANFBP-YPMHNXCESA-N 303.333 3.495 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C)oc2C)c1 32610145 PKMGKWSXRLHWSX-LLVKDONJSA-N 303.358 3.405 0 40 DGAB Cc1cc(S(=O)(=O)Nc2c(F)cccc2F)ccc1F 74932664 ZUTQLGCHLVDPIA-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB Cc1ccc(-c2c(C(F)(F)F)nn3c(NN)cc(C)nc23)cc1 36631427 SSVCVWDQRGDORK-UHFFFAOYSA-N 321.306 3.318 0 40 DGAB CN1CCC[C@H]1c1cnc(Cl)cc1I 35032815 FFTHKZGCBMLHKE-VIFPVBQESA-N 322.577 3.106 0 40 DGAB in-vitro CCN(c1ccccc1C)S(=O)(=O)c1cc(F)ccc1F 39969528 VROCBNMLVZTUMA-UHFFFAOYSA-N 311.353 3.488 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C 41095311 ZJVDCIWTUJAVQR-IUODEOHRSA-N 311.447 3.251 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2F)c1 224249024 VYYBWTSWDODTTO-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CCOC(=O)C1(c2ccc(NC(=O)c3ccoc3C)cc2)CC1 225868714 AKAXIHYHHIOPRB-UHFFFAOYSA-N 313.353 3.435 0 40 DGAB CCc1nc(N)sc1-c1nc(-c2c(F)cccc2F)no1 89263137 KZGBOCZVIIQTIA-UHFFFAOYSA-N 308.313 3.283 0 40 DGAB CC(C)(CN1CCC(OC[C@H]2CCOC2)CC1)c1ccccc1 97373050 OLGYQXYNOIVVEN-KRWDZBQOSA-N 317.473 3.482 0 40 DGAB C[C@@H](CC(=O)NC[C@H]1CCOC1)c1ccccc1C(F)(F)F 96422306 POFXMOAYNYAXFB-NWDGAFQWSA-N 315.335 3.352 0 40 DGAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1 95533713 BZFHUHKLVITKNM-CQSZACIVSA-N 314.776 3.182 0 40 DGAB CC(=O)N1CC[C@@H](OCc2ccccn2)[C@@H](Cc2ccccc2)C1 96209252 PRUJFWWRTUTLSI-AZUAARDMSA-N 324.424 3.078 0 40 DGAB O=C(c1ccco1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 244983734 IPAVUJHSXQAYPL-JTQLQIEISA-N 315.354 3.021 0 40 DGAB COC[C@H](NC(=O)[C@@H]1C[C@@H](C)CC(C)(C)C1)C1CCOCC1 585113329 PCNTXVCTXANBIP-BMFZPTHFSA-N 311.466 3.007 0 40 DGAB Cc1nc([C@@H]2CCCNC2)nc2c1CCCN2Cc1ccccc1 257275001 NNOTZJPKDKCCAU-QGZVFWFLSA-N 322.456 3.205 0 40 DGAB COC(=O)c1ccc2c(c1O)[C@@H]1O[C@H](C)CC[C@H]1C(C)(C)O2 257282099 OSIFQLGBNBXEBK-XDMRBOTDSA-N 306.358 3.206 0 40 DGAB CO[C@@]1(CNC(=O)c2cccc3ccccc23)CCSC1 96097572 BICFPDXMOOVYFV-QGZVFWFLSA-N 301.411 3.092 0 40 DGAB CNC(=O)c1ccc(NC(=O)NCc2cccs2)cc1Cl 55339693 XDSROJFCSONOAP-UHFFFAOYSA-N 323.805 3.083 0 40 DGAB CCO[C@H](CC)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 69416489 TWAQIMZEXBPJFJ-MRXNPFEDSA-N 316.401 3.124 0 40 DGAB O=C(c1cccnc1OCC(F)F)N1CCC[C@H]2CCC[C@@H]21 89816323 OGRLWRXIBBFVFM-YPMHNXCESA-N 310.344 3.130 0 40 DGAB CO[C@@](C)(CNC(=O)NC1CCCC1)c1cccc(Cl)c1 96393223 VDEDJVKFFLJBMZ-INIZCTEOSA-N 310.825 3.443 0 40 DGAB CCc1noc(CNc2ccc(OC)c(Br)c2)n1 79002863 FBJPRANAVXNMSM-UHFFFAOYSA-N 312.167 3.015 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2ccc(Cl)cc2)cc1F 5251178 BQKCBNDLNYNTHA-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB CC1(NC(=O)CCc2nc(-c3ccccc3Cl)no2)CCC1 19461164 ARVUCBZDGSDEOE-UHFFFAOYSA-N 319.792 3.381 0 40 DGAB CNC(=O)Nc1cccc(OCc2cccc(OC)c2)c1C 165160496 HPLNVPWFNOCPJK-UHFFFAOYSA-N 300.358 3.334 0 40 DGAB CC1(C)[C@H]2CCC3=C[C@](C)([C@H](O)CO)CC[C@H]3[C@]2(C)CC[C@H]1O 253589794 NCAZLDCEJHFJDT-HZLBELHRSA-N 322.489 3.280 0 40 DGAB biogenic O[C@H](CNc1ncc(Cl)cn1)c1csc2ccccc12 1775970497 ONTQHTKPEVFVKL-GFCCVEGCSA-N 305.790 3.490 0 40 DGAB CCc1ccc(-n2nc3cc(N)c(Br)cc3n2)cc1 569816 HEQZQDNDGUGJNS-UHFFFAOYSA-N 317.190 3.328 0 40 DGAB CC(=O)NCCCCCC(=O)Nc1cccc(Cl)c1F 40043157 KUCVHJSZONPZJD-UHFFFAOYSA-N 300.761 3.114 0 40 DGAB COc1cccc(S(=O)(=O)CCO[C@@H]2CCCC[C@@H]2C)c1 40153118 VMTNFAVJUSKIAK-XJKSGUPXSA-N 312.431 3.064 0 40 DGAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)cc1OC 33183 SLTQQSTWZLIKAD-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(COC(=O)c1ccc(Br)o1)c1ccccc1 339899 YQWHEVQPDRCSSA-UHFFFAOYSA-N 309.115 3.082 0 40 DGAB CN(c1ccccc1)c1cn2c(nc(=O)n2C(C)(C)C)s1 405709 PAEIHYHPBFYVFH-UHFFFAOYSA-N 302.403 3.080 0 40 DGAB CCOC(=O)[C@H](Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1 549502 BFJAEPUBISXQCV-OAHLLOKOSA-N 324.380 3.461 0 40 DGAB COc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 1943562 KBENGGJVBBNZJQ-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(C)(CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2510799 OWBRHJFJQVRIRW-UHFFFAOYSA-N 311.381 3.296 0 40 DGAB in-vitro CCC(=O)c1ccc(OC[C@H](O)Cn2cnc3ccccc32)cc1 2705575 YIGMVHQWYSYFGD-OAHLLOKOSA-N 324.380 3.069 0 40 DGAB O=C(O)c1ccc(NC(=O)c2ccccc2Br)cc1 3157971 JHXWSHWNHQPCCL-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB CCOc1cccc(-c2nn3c(-c4cccnc4)nnc3s2)c1 4938784 ROBFOWMCJKMGIG-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccco2)CC1 4998825 WXMHCHXTJBMZHH-UHFFFAOYSA-N 312.369 3.079 0 40 DGAB COc1ccc(CNC(=O)c2cccc(-n3cccc3)c2)cc1 5108915 VMBQZOUNMSKWON-UHFFFAOYSA-N 306.365 3.416 0 40 DGAB CN(Cc1ccccc1)C(=O)CSc1ncnc2ccccc12 5559364 IMENXTINJOESPR-UHFFFAOYSA-N 323.421 3.381 0 40 DGAB COc1ccc2cc(S(=O)(=O)N3CCCC[C@@H]3C)ccc2c1 6183685 UTDLBBNCPPFBRU-ZDUSSCGKSA-N 319.426 3.412 0 40 DGAB Fc1cccc(NC(=S)N2CCN(c3ccccc3)CC2)c1 6257937 FOQNFGLAQJEJMG-UHFFFAOYSA-N 315.417 3.345 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 6653123 REQDXCIIKNETEV-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB COC(=O)CCSc1nnc(Nc2cccc(C)c2)s1 7034919 XCIQAINIPBHUHX-UHFFFAOYSA-N 309.416 3.245 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2F)cc1 7671730 OTLNDACRCNXKBU-LLVKDONJSA-N 305.324 3.393 0 40 DGAB COc1ccccc1OS(=O)(=O)c1cccc2cccnc12 8715493 YECZAJBSICGSCF-UHFFFAOYSA-N 315.350 3.011 0 40 DGAB CCOc1ccc(NC(=O)C(=O)Nc2ccccc2Cl)cc1 9995580 IFUVLADKMVJLMD-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1CN(C)CC(=O)NC1CC1 11436803 BKABBUWQJCMUGG-UHFFFAOYSA-N 302.462 3.311 0 40 DGAB CNc1ncc(CN(Cc2ccco2)Cc2ccc(C)o2)cn1 12186689 VGRWONHQODLOIL-UHFFFAOYSA-N 312.373 3.215 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 12933138 WHPCJYMACRTNCP-MRXNPFEDSA-N 305.374 3.352 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 12979883 NJIPPAAMJUIVMO-LJQANCHMSA-N 321.424 3.130 0 40 DGAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccc(C)c(C)c2)c1 13084358 HLCXODZBFLWOFR-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CCn1c(SCc2c(C)noc2C)nc2ccccc2c1=O 13137379 MLRHZIRCOVCESC-UHFFFAOYSA-N 315.398 3.314 0 40 DGAB COc1ccc(CCn2cnc3c([nH]c4ccccc43)c2=O)cc1 13638954 ULFJUYFUXUNUCC-UHFFFAOYSA-N 319.364 3.129 0 40 DGAB COc1cc(CO)ccc1OCCOc1ccccc1Cl 14116101 YSVSAYJFFIXIDP-UHFFFAOYSA-N 308.761 3.299 0 40 DGAB CCCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc1C 14265725 JDPDYUPRQOIPBF-UHFFFAOYSA-N 315.398 3.431 0 40 DGAB COC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC 16043160 JMXOIDJMADPXNT-QILLFSRXSA-N 319.401 3.130 0 40 DGAB biogenic Cc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20042508 ZJKRUJKLZGGGPB-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB COc1cc(CC(=O)NCc2ccc(F)c(C)c2)ccc1C 21068727 ARWJJJINTPDKSP-UHFFFAOYSA-N 301.361 3.310 0 40 DGAB c1ccc2sc(NCc3ccc(-n4ccnc4)nc3)nc2c1 22136168 HBKDVQQTBREJOS-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB O=C1CCCC[C@H]1Sc1nnc2ccc(C(F)(F)F)cn12 24139519 FIWBAQJPJLADDW-SNVBAGLBSA-N 315.320 3.352 0 40 DGAB C[C@H](NC(=O)NCCc1c[nH]c2ccccc12)c1ccccn1 26186164 MZVDKJYODPNDMP-ZDUSSCGKSA-N 308.385 3.166 0 40 DGAB CCCOc1cccc(C(=O)NCC2(N(C)C)CCCCC2)c1 27579759 ABRJEMCQUVBBPN-UHFFFAOYSA-N 318.461 3.470 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCO[C@H](c2ccccc2)C1 27907197 ATYNMQBBFCCUEV-SFHVURJKSA-N 306.365 3.382 0 40 DGAB c1ccc(N2CCN(CCNc3nc4ccccc4o3)CC2)cc1 29585433 ZORDQUPUZXUXFN-UHFFFAOYSA-N 322.412 3.062 0 40 DGAB CN(C)c1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1 31918486 PABHDKXOCZNDSP-UHFFFAOYSA-N 320.396 3.120 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc(O)c(Cl)c2)cc1F 32722403 XVXPKCMEEMAPIB-UHFFFAOYSA-N 323.751 3.466 0 40 DGAB CCC[C@@](C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC 35220979 CVXDVGUYXPUMDH-CQSZACIVSA-N 318.200 3.455 0 40 DGAB O=Cc1ccc(OC(=O)c2ccccc2)c(Br)c1 35657350 WFJBZIKTNAYKSQ-UHFFFAOYSA-N 305.127 3.481 0 40 DGAB COc1ccccc1CCNC(=O)Cn1ccc2ccccc21 38490442 YQDROPDMCXWXCP-UHFFFAOYSA-N 308.381 3.009 0 40 DGAB COC(=O)c1cc(NC(=O)C(F)(F)c2ccccc2)ccc1F 40115083 UUFJGKYSCKFLCK-UHFFFAOYSA-N 323.270 3.343 0 40 DGAB CCN(C(=O)CN(Cc1ccccc1)[C@@H](C)C1CC1)C1CC1 40120226 CWCBFRXLZYJQLZ-HNNXBMFYSA-N 300.446 3.298 0 40 DGAB C[C@@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@H](C)CO1 40500940 JJULAXGYALKZDR-GHMZBOCLSA-N 320.389 3.199 0 40 DGAB CCCc1noc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41123630 CQCDMDLOZGULNQ-GFCCVEGCSA-N 319.430 3.032 0 40 DGAB CC(C)(C)CC(C)(C)NC(=O)c1cc2ccccc2c(=O)[nH]1 42705193 WPBVTJWYTMSNDH-UHFFFAOYSA-N 300.402 3.473 0 40 DGAB Clc1cncc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 43535308 VMFXBNPHRQCWPV-UHFFFAOYSA-N 313.792 3.390 0 40 DGAB O=C(COc1ccc(C(F)(F)F)cc1)Nc1ccccc1O 45012292 ZEOPTQURKZRLFT-UHFFFAOYSA-N 311.259 3.429 0 40 DGAB CCC(=O)Nc1cccc(C(=O)N[C@@H]2CCOc3ccccc32)c1 48227879 PKJNJWUTIYWBAN-MRXNPFEDSA-N 324.380 3.289 0 40 DGAB Cc1ccc(NC(=O)N2CCCC2)c(OC[C@H]2CCCO2)c1 56515319 TYOUGFVYURPWSL-CQSZACIVSA-N 304.390 3.181 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)NCC1CCCC1 57279960 NVABRVMHTRDGPL-UHFFFAOYSA-N 305.809 3.386 0 40 DGAB Cc1oc(-c2ccsc2)nc1COc1ccccc1C(N)=O 58412890 OEARMOWIVZSIBO-UHFFFAOYSA-N 314.366 3.389 0 40 DGAB COc1cnc(C(=O)Nc2cc(Cl)ccc2Cl)cc1O 61721172 PXRYVYBUAQERBE-UHFFFAOYSA-N 313.140 3.355 0 40 DGAB CCSCCC(=O)N1CCC[C@@H]1c1cccc2c1OCCO2 66769868 QQFNIFZQKYRFMF-CQSZACIVSA-N 321.442 3.265 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 68725211 HEQMXCVDTLAZEC-HZPDHXFCSA-N 318.380 3.224 0 40 DGAB Cc1c(C(=O)N(CCc2ccccc2)C2CCCC2)cnn1C 69009076 UKWAQDUKVIOEBP-UHFFFAOYSA-N 311.429 3.356 0 40 DGAB Cc1ccc(CNCc2csc(-c3ncccn3)n2)s1 69161907 MGXQWCKRJXZUDL-UHFFFAOYSA-N 302.428 3.260 0 40 DGAB Cc1nc(C(=O)NCc2ccc(OC3CCCC3)nc2)cs1 69355583 ZMVHGCJRMXYESQ-UHFFFAOYSA-N 317.414 3.098 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H](n3cccn3)C2)c(C)o1 69432650 SQVHBIMYCIGUEE-ZFWWWQNUSA-N 301.390 3.060 0 40 DGAB COCCOCCCC(=O)N[C@H]1CCCCc2ccccc21 69515485 GNWXATAXYPPJDB-KRWDZBQOSA-N 305.418 3.014 0 40 DGAB Cc1noc([C@@H](NC(=O)Nc2ccc(F)cc2F)C(C)C)n1 69740825 GHRINNSRGYHFLL-LBPRGKRZSA-N 310.304 3.175 0 40 DGAB Cc1cc(C)cc(C2(C(=O)NCc3ccccc3CO)CC2)c1 71841447 OVGSCMYVYMODPS-UHFFFAOYSA-N 309.409 3.144 0 40 DGAB CC(C)CC(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 71909671 GYYNPFCNLDIGOK-GFCCVEGCSA-N 312.360 3.029 0 40 DGAB CC[C@@H](NC(=O)N[C@H](C)c1cn(C)nc1C)c1nc(C)cs1 72274060 YPLPAPFRYDKQEF-ZWNOBZJWSA-N 321.450 3.005 0 40 DGAB C[C@@H](c1ccc2c(c1)OCCCO2)N(C(=O)C1CC1)C1CC1 72274677 WLLGQPLSYHZPBZ-LBPRGKRZSA-N 301.386 3.310 0 40 DGAB Cc1c(C(=O)O[C@@H](C)C(F)(F)F)cnn1-c1ccccc1F 72305085 JFXFWYCKLQKNEK-VIFPVBQESA-N 316.254 3.427 0 40 DGAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(F)cc2)no1 72841064 OIRHHPIHQJVIQV-LLVKDONJSA-N 305.353 3.113 0 40 DGAB Cc1ncsc1CNC(=O)c1ccc2[nH]c(=S)oc2c1 73422580 RIEGBKKIFMFCSJ-UHFFFAOYSA-N 305.384 3.185 0 40 DGAB COCc1ccc(C(=O)OCc2ccc(OC)cc2Cl)o1 75104220 PIZSYHGQHIJERR-UHFFFAOYSA-N 310.733 3.445 0 40 DGAB CC(C)c1ccc(OCC(=O)NC[C@@H](O)c2cccs2)cc1 75155986 OUYGETNHKYEVBE-OAHLLOKOSA-N 319.426 3.100 0 40 DGAB CCNC(=O)N[C@@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 75165984 YYLZYEACJIUHRO-ZIAGYGMSSA-N 323.368 3.005 0 40 DGAB Cc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1C 77404924 AVXAKIAZOQUMQK-LJQANCHMSA-N 306.413 3.426 0 40 DGAB Cc1csc(N2CCN(Cc3ccc(F)c(F)c3)CC2)n1 78513139 RMVAHRGTGRWXKQ-UHFFFAOYSA-N 309.385 3.052 0 40 DGAB Cc1ccc(C(=O)N2CCN([C@@H](C)c3cccnc3)CC2)cc1C 79353540 TUZQACQVPUZRLF-KRWDZBQOSA-N 323.440 3.217 0 40 DGAB Cc1noc(C)c1CNC(=O)N(C1CC1)[C@H](C)c1ccco1 86371687 VBSOTFSYNZZXNN-LLVKDONJSA-N 303.362 3.320 0 40 DGAB Cc1csc(N(C(=O)c2cccc(CN(C)C)c2)C2CC2)n1 89705711 HHMYOGRNZUPHON-UHFFFAOYSA-N 315.442 3.322 0 40 DGAB O=C(N[C@H]1CCCc2occc21)c1cccnc1N1CCCC1 89773242 LHIZYWYWFSROTN-HNNXBMFYSA-N 311.385 3.082 0 40 DGAB O=C(/C=C/c1ccncc1)N(Cc1cccnc1)Cc1ccco1 89793996 BJFQEXSVKUGZRW-AATRIKPKSA-N 319.364 3.312 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCn2cncc2C1)c1ccc2c(c1)CCCC2 89905079 DONYXZBBCDHTPY-KDOFPFPSSA-N 323.440 3.202 0 40 DGAB CN(C)[C@@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 95349196 GCMFNTCLLHNYMD-SNVBAGLBSA-N 302.205 3.161 0 40 DGAB CCc1ocnc1C(=O)N(C)c1ccccc1C(=O)OC(C)C 95399645 ZPKDHDRFJPGJAL-UHFFFAOYSA-N 316.357 3.079 0 40 DGAB CCc1nc2c(s1)[C@@H](NCCOc1cccnc1)CCC2 95422459 NGEIAFVPTFCKDA-ZDUSSCGKSA-N 303.431 3.147 0 40 DGAB CCCCOCCOC(=O)[C@H](c1ccccc1)N(CC)CC 95468937 VQNYKMQZYQVXSF-KRWDZBQOSA-N 307.434 3.429 0 40 DGAB O=C(CC(F)(F)F)N[C@H]1CCCc2cn(C3CCCC3)nc21 96003029 LLKMYRFENCYODF-LBPRGKRZSA-N 315.339 3.444 0 40 DGAB COC[C@@H]1CN(Cc2ccsc2)Cc2ncn(CC3CC3)c21 96060266 WROOCXQKNGJMRW-HNNXBMFYSA-N 317.458 3.100 0 40 DGAB CCO[C@H]1COC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)C1 96106582 LTJSMBADSJJWSF-CQSZACIVSA-N 323.458 3.165 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@@H]1CNc2ccnn2C1 96316223 LKNJSUGIGLMUTH-HIFRSBDPSA-N 314.433 3.130 0 40 DGAB Cc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)[nH]1 97035286 FTIVEEBLFMQOJE-ZDUSSCGKSA-N 320.776 3.231 0 40 DGAB C[C@@H](NC[C@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 97038997 VPZBWVWQRPQORI-HIFRSBDPSA-N 317.385 3.006 0 40 DGAB Cc1cc(NC(=O)[C@@H](NCc2ccco2)c2ccccc2)no1 97495043 IVYQLFCVXZAJNX-INIZCTEOSA-N 311.341 3.046 0 40 DGAB CC[C@H](CN[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 195549892 IXVSKCSMQYRPDP-IUODEOHRSA-N 315.866 3.000 0 40 DGAB CC[C@@H](CN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 195549895 IXVSKCSMQYRPDP-WFASDCNBSA-N 315.866 3.000 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NCC(C)C 224553338 GDRULPDKYUAWMB-KRWDZBQOSA-N 318.461 3.366 0 40 DGAB COc1ccccc1C[C@@H](Oc1cccc(Cl)c1)C(=O)O 225096374 BJHFXDZPQOHKDM-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(C)cc2C)cc1C 225168763 AWGCBUPFWVUJBR-UHFFFAOYSA-N 313.397 3.429 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2F)c(C)c1 225446723 VAPBJOMSXCLNNB-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB C[C@@H]1CC[C@H](CN2CCC(OCc3ccccc3F)CC2)O1 225598105 HUUUNAYJZGXZED-RHSMWYFYSA-N 307.409 3.374 0 40 DGAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@@H]1C[C@H]1c1cccnc1 248108494 GMEVBHTUBJWWKI-HYVNUMGLSA-N 321.424 3.447 0 40 DGAB O=C(Nc1ccccc1F)N1CCCC[C@H]1Cn1cccn1 584907865 QDGBRSNDSVEEKQ-ZDUSSCGKSA-N 302.353 3.109 0 40 DGAB CN(C(=O)c1cnc(C(C)(C)C)nc1)[C@H]1CCCc2cccnc21 585083887 OQKFMRSELJYRLD-HNNXBMFYSA-N 324.428 3.319 0 40 DGAB O=C(NCc1nc(-c2ccccn2)cs1)C(C1CC1)C1CC1 585126341 WXJCMWNAHMFFHT-UHFFFAOYSA-N 313.426 3.258 0 40 DGAB O=C(NCc1nccnc1-c1ccco1)Nc1cccs1 585405941 AXRZBQHCOKDXOW-UHFFFAOYSA-N 300.343 3.120 0 40 DGAB COC1CN(c2ccc(NC(=O)c3ccc4[nH]ccc4c3)cc2)C1 669957415 YZEXKVBTAYNRIQ-UHFFFAOYSA-N 321.380 3.255 0 40 DGAB CCN1CC2(CCC1=O)CCN(C(=O)C1CCC(C)CC1)CC2 1565545022 BWWHQLRTDSMAMF-UHFFFAOYSA-N 320.477 3.064 0 40 DGAB CC(=O)N1CC2(CCN(C(C)C)CC2)C[C@@H]1Cc1ccccc1 1615152095 AMQDFXOSGADLQH-IBGZPJMESA-N 314.473 3.341 0 40 DGAB COc1ccc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)cc1 46811 SKEQREZONVCYKI-KSSFIOAISA-N 314.337 3.047 0 40 DGAB O=C(NCCCOc1ccccc1)c1cc(O)nc2ccccc12 11086072 OBEFLNZTFFZDPW-UHFFFAOYSA-N 322.364 3.139 0 40 DGAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1cccs1 40510508 VJWBGTAAWPVKTC-UHFFFAOYSA-N 315.320 3.004 0 40 DGAB COC(=O)c1ccc(CSc2nnc(-c3ccoc3C)o2)o1 16050181 KRGZKUITERGTSW-UHFFFAOYSA-N 320.326 3.310 0 40 DGAB O=C(c1ccccc1)N1CCN(c2ccccc2Cl)CC1 1575367 QJMKZHNAVLJIBG-UHFFFAOYSA-N 300.789 3.302 0 40 DGAB COc1ccc(OCC(=O)NCc2ccccc2Cl)cc1 3611636 HMVDHWVMMOSQOR-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB Cc1nn(-c2ccccc2)c(O)c1[C@H]1OC(=O)c2ccccc21 101027497 YILNJCYMQBNALH-INIZCTEOSA-N 306.321 3.146 0 40 DGAB O=C(O)[C@@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1 4407279 SURFXRHLXJAOSD-GOEBONIOSA-N 313.378 3.028 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(F)cc2)c1C 2664908 MYOOEVXCGUZYIH-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)c(F)c1F 2638815 XUEZQPJEZLMKRD-JTQLQIEISA-N 320.314 3.494 0 40 DGAB Cc1cc(C)cc(Nc2nnc(S[C@@H](C)C(=O)O)s2)c1 2617008 PLLZVLJAYWWDSC-VIFPVBQESA-N 309.416 3.464 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 69870787 OXNRGLFULYVZMK-MJGOQNOKSA-N 323.440 3.475 0 40 DGAB Nc1nc(Cl)cc(N2CCC[C@H]2CCc2ccccc2)n1 52454225 XNBFYPKUKFMGBD-ZDUSSCGKSA-N 302.809 3.314 0 40 DGAB Cn1c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)cc(Cl)c1Cl 46495116 GUAFDFNKRFQJTL-JQWIXIFHSA-N 317.216 3.116 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)Cc2ccccc2C)cc1 7845440 DGRZCOBYEGCPMP-UHFFFAOYSA-N 310.397 3.268 0 40 DGAB O=C(Nc1ccnn1Cc1ccccc1Cl)c1ccncc1 23272445 FMFQPZZUNNYWHN-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCCNC(=O)NCc1ccc(CN2CCC[C@@H](C)C2)cc1 47675964 KVCVMJDYRURWQR-OAHLLOKOSA-N 303.450 3.128 0 40 DGAB O=C(NCc1ccccc1CN1CCCCC1)C1CCCC1 24182186 FPVSADSWSMXJNQ-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB CC(C)CC(=O)Nc1ccccc1C(=O)NCc1ccco1 24751929 ZXHVXWYAGWBNDT-UHFFFAOYSA-N 300.358 3.194 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)c1cccc2cn[nH]c12 25113205 YPPISKBWSREWSG-LBPRGKRZSA-N 309.369 3.405 0 40 DGAB O=c1[nH]c(CN2CCC[C@H]2c2ccc(F)cc2)nc2ccccc12 25443102 YFSWOAJSQDEEKA-KRWDZBQOSA-N 323.371 3.399 0 40 DGAB CC(C)c1nnc(NC(=O)N(Cc2ccccn2)C2CC2)s1 43699560 GOZDEASJFHPRBF-UHFFFAOYSA-N 317.418 3.253 0 40 DGAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1cnccn1 57512648 BVFXWMNONJLCEX-UHFFFAOYSA-N 301.365 3.448 0 40 DGAB CC[C@@H](NC(=O)N1CCc2c(cccc2NC(C)=O)C1)C(C)C 58172302 ZDEQKTWTWHNNTK-MRXNPFEDSA-N 317.433 3.147 0 40 DGAB Cc1cc(C(=O)N2CCC(Nc3ccccc3Cl)CC2)on1 58305503 VNSMGTKOAUCNLA-UHFFFAOYSA-N 319.792 3.353 0 40 DGAB Nc1nccnc1C(=O)OCc1sc2ccccc2c1Cl 28117805 YEPBCQIIILKCBW-UHFFFAOYSA-N 319.773 3.284 0 40 DGAB C[C@@]1(C(=O)Nc2ccc(Cl)cn2)Oc2ccccc2N=C1O 36353664 WHOVQJONVGGYNP-OAHLLOKOSA-N 317.732 3.113 0 40 DGAB COCc1cccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 12895641 QOGJKSNOWIWQLD-UHFFFAOYSA-N 321.279 3.407 0 40 DGAB CN(C)C(=O)Cc1ccc(NC(=O)NC2CCCCCC2)cc1 48442491 BQPXVOOOQJDQIJ-UHFFFAOYSA-N 317.433 3.162 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)s1 3523661 LFKKSQYRDINTBA-UHFFFAOYSA-N 315.394 3.341 0 40 DGAB CSCC(=O)Nc1nc(C)c(Cc2ccccc2F)s1 48653752 VPVRVNVAEYNTDR-UHFFFAOYSA-N 310.419 3.483 0 40 DGAB Cc1ccccc1C(=O)N1CCC(C(=O)Nc2ccccc2)CC1 6238022 BSPGRDZWKSUDIV-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 14009344 RRPYCOXAEJBQTP-ZROIWOOFSA-N 314.728 3.143 0 40 DGAB Cc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1 5483971 HOXXYWBWOLQQCT-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB CCOC(=O)N[C@@H](Nc1ccccc1F)C(=O)c1ccccc1 5473178 LDDCPOLZHBCZHS-MRXNPFEDSA-N 316.332 3.193 0 40 DGAB CCN(CC)c1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1 17288083 RFXTZHFKFOOLKO-UHFFFAOYSA-N 314.368 3.092 0 40 DGAB CCCC[C@@H](CC)CNC[C@@H](O)COCc1ccc(OC)cc1 6939328 ALVXVTRQYGBRMM-SJLPKXTDSA-N 323.477 3.379 0 40 DGAB Cc1ccc(CNC(=O)COC(=O)c2sccc2C)cc1C 67197925 OHJKYEADXSGBLO-UHFFFAOYSA-N 317.410 3.147 0 40 DGAB Cc1ccc2c(c1)CCCN2Cc1nc2ccccc2c(=O)[nH]1 7487996 WGNPIFBJPBZNQU-UHFFFAOYSA-N 305.381 3.184 0 40 DGAB CCCCOc1cc(S(=O)(=O)N2CCCC2)ccc1Cl 8714718 ZTOBYHLJCCUHAB-UHFFFAOYSA-N 317.838 3.303 0 40 DGAB COCCCN(C(=O)C(C)C)c1cccc(NC(=O)C(C)C)c1 75109621 LOIKKUNPSXRAQL-UHFFFAOYSA-N 320.433 3.307 0 40 DGAB CN(C[C@@H]1CCCO1)C(=O)c1cccc(Oc2ccncc2)c1 71903052 URNHNQYVZRGRDC-KRWDZBQOSA-N 312.369 3.125 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)NC1CCN(CC=C(C)C)CC1 71903940 KLHVYEZFBZFFPY-GOSISDBHSA-N 322.493 3.271 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(OC)c1 9514391 ZJFDZVONVIDRQW-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89895019 AUNPZZUMIGPBTC-SCLBCKFNSA-N 308.381 3.410 0 40 DGAB CC(C)[C@H](NC(=O)c1ccc(O)nn1)c1ccc(Cl)cc1F 97081859 YWEAYQUYXKQQOA-AWEZNQCLSA-N 323.755 3.102 0 40 DGAB CCCc1cc(N2CC[C@H](C)[C@H]3CCCC[C@@H]32)n2ncnc2n1 72313921 WVLQGTPVNGQBAP-IMJJTQAJSA-N 313.449 3.482 0 40 DGAB CCN(CC)C(=O)CN1CC=C(c2c[nH]c3ccccc23)CC1 89967635 WNWFLVKFFGSGSR-UHFFFAOYSA-N 311.429 3.125 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1c[nH]c2cc(Cl)ccc12 95475435 GZLXZPDWBSSNQV-LBPRGKRZSA-N 305.809 3.035 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cc1 95438288 OFOOOTHYRJNLEG-SJCJKPOMSA-N 309.365 3.184 0 40 DGAB CC(C)CSC[C@@H](C)N[C@@H](CO)Cc1c[nH]c2ccccc12 95968085 XPVHXHBCNCXZJV-GDBMZVCRSA-N 320.502 3.439 0 40 DGAB CCN(C)c1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 95956025 PPLCSHUBHCCYFJ-UHFFFAOYSA-N 301.415 3.340 0 40 DGAB COc1cc(CNc2ccncc2Cl)cc(OC)c1OC 89426559 XNLAPNBZTNBYRX-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB Cc1ccc2nc3c(c(C(=O)/N=c4/[nH]cc(C)[nH]4)c2c1)CCCC3 79110735 UBQUUTBZIYGCMA-UHFFFAOYSA-N 320.396 3.128 0 40 DGAB CCCCC[C@H](C)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 25348115 ZAKLFBWRRBFMRM-FZMZJTMJSA-N 306.381 3.337 0 40 DGAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1CCCO1 38755271 NXYBSMNCYRABQD-MSOLQXFVSA-N 313.397 3.292 0 40 DGAB COc1cc2c3c(c1O)-c1c(cccc1OC)C[C@@H]3N(C)CC2 174787 RQCOQZNIQLKGTN-ZDUSSCGKSA-N 311.381 3.162 0 40 DGAB biogenic,in-vitro CNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1 212451269 GACSONNYIULSQF-UHFFFAOYSA-N 305.765 3.034 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 36635398 FEHRGUBKLBCNEJ-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CC[C@H](NC(=O)Nc1cn[nH]c1)c1nc(C(F)(F)F)cs1 72932125 LAXMKTWBOMBBIJ-ZETCQYMHSA-N 319.312 3.158 0 40 DGAB CCc1nc(CNC(=O)NCc2ccc(F)c(C)c2)cs1 78663348 IDYJXLRNEWKBMI-UHFFFAOYSA-N 307.394 3.152 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccc(C)n2)cc1 72211088 CFVYGDSNXOUDFV-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB Cc1nc(C(=O)N2CCS[C@@H](c3ccco3)CC2)cs1 219367560 KJSTYYMRJRLCOD-CYBMUJFWSA-N 308.428 3.365 0 40 DGAB Cc1ncn(-c2ccc(OC(F)(F)F)cc2Br)n1 2362803607 OXMYQUFPIONBCF-UHFFFAOYSA-N 322.084 3.237 0 40 DGAB COc1ccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)cc1 72385059 QIZJFBCSTAMPLJ-ZDUSSCGKSA-N 316.426 3.247 0 40 DGAB FC(F)(F)c1cccnc1NCCCOCC1CCOCC1 77228283 XGGSKRIXQYDORB-UHFFFAOYSA-N 318.339 3.346 0 40 DGAB Cn1cc(-c2cccc(C(=O)Nc3ccccc3C(=O)O)c2)cn1 561439739 NFVHUQINMGEMBV-UHFFFAOYSA-N 321.336 3.038 0 40 DGAB CCCN(C)C(=O)c1cc(O)c2cc(Br)ccc2n1 79034393 XKSBICAAWIJHRE-UHFFFAOYSA-N 323.190 3.185 0 40 DGAB COc1ccncc1NC(=O)C[C@H](C)C(=O)c1cccc(F)c1 73210422 WHKAHVFIRLIAQG-NSHDSACASA-N 316.332 3.077 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1 44839809 LIOIDESOZJTZIF-INIZCTEOSA-N 319.426 3.433 0 40 DGAB O=C(O)c1cnc(-c2ccccc2)nc1NCc1ccccc1 49469790 QSNQBWPBHOKWAR-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)NC1CCC(C)CC1 42646140 WDBYMFLGRAHRHF-UHFFFAOYSA-N 308.809 3.282 0 40 DGAB O=C(c1cnc2ccccc2n1)N(Cc1ccsc1)C1CC1 44446555 NIQRURRMBAYZDV-UHFFFAOYSA-N 309.394 3.496 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222794200 XYHIJTZKNWYYOE-CVEARBPZSA-N 314.458 3.456 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C 222746374 LPMTVAYEOWTARK-CQSZACIVSA-N 304.434 3.037 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)NCc1ccc(C2CC2)cc1F 583397693 HWPOHHPAEZWQJH-UHFFFAOYSA-N 315.392 3.292 0 40 DGAB Cc1cc(OC[C@H](O)c2ccc(C(F)(F)F)cc2)nnc1C 96415108 HCCCQCQZVHJQLE-ZDUSSCGKSA-N 312.291 3.225 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc(Cl)cn1 97377299 RSQPVWANMBGRAF-SNVBAGLBSA-N 321.812 3.126 0 40 DGAB CN1CCC(Oc2ccc(NC(=O)C3CCCC3)cc2)CC1 96125660 XCGFREFTGLVGFE-UHFFFAOYSA-N 302.418 3.288 0 40 DGAB CS[C@@H]1CCC[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 96409422 PDOHTOVPFVAZRC-WCQYABFASA-N 324.421 3.188 0 40 DGAB CCCc1cc(C(=O)O[C@H](c2ccccn2)C(F)(F)F)[nH]n1 96483250 POZIELTZWCKITA-GFCCVEGCSA-N 313.279 3.218 0 40 DGAB COc1ccc(-c2c[n+](-c3ccc(OC)cc3)c3n2CCC3)cc1 95471943 YGZAOPKOHNQGAF-UHFFFAOYSA-N 321.400 3.395 0 40 DGAB Cc1nocc1C(=O)N[C@@H](C)c1nc2ccccc2n1C(C)C 585089465 PAFNQHLFBYDVPQ-LBPRGKRZSA-N 312.373 3.405 0 40 DGAB COc1cccc([C@@H](CNC(=O)/C=C/c2cccs2)OC)c1 96389794 VNIZOSLZBPFDCC-ROJDOSBLSA-N 317.410 3.274 0 40 DGAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 46787059 LSJJBGKRQDYFMP-ZWNOBZJWSA-N 301.308 3.452 0 40 DGAB c1ccc(-n2nnnc2COc2cccc3ccccc23)cc1 5234648 IPNSAVZKEYUFBP-UHFFFAOYSA-N 302.337 3.395 0 40 DGAB CC(C)(CNC(=O)c1ccccc1)N1CCC(c2ccccc2)=N1 18052586 FBTDKEHVDCPYGW-UHFFFAOYSA-N 321.424 3.305 0 40 DGAB CCOc1ccc(CN2CCCC[C@@H]3[C@H]2CCN3C(C)=O)cc1 19712581 WZGBBSZBKNUCLV-RTBURBONSA-N 316.445 3.061 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 1888844606 MXZHGEUHVJJDMO-MRXNPFEDSA-N 312.417 3.092 0 40 DGAB Cc1cc(C)c(NC(=O)CNC(=O)NCCCC(C)C)c(C)c1 26391426 NURKJAWENROFBG-UHFFFAOYSA-N 319.449 3.286 0 40 DGAB CCSc1ccccc1C(=O)Nc1sccc1C(N)=O 5240807 QQVKLVGASBHPKK-UHFFFAOYSA-N 306.412 3.211 0 40 DGAB Cc1ccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 2966194 GUJAMCPPWUAILF-FQEVSTJZSA-N 307.417 3.255 0 40 DGAB O=S1(=O)N=C(SCc2ccccc2)Nc2ccccc21 6918576 DQTHTVGTLJTHCL-UHFFFAOYSA-N 304.396 3.090 0 40 DGAB Cc1cccc(OCC(=O)OCc2cc(-c3ccco3)on2)c1 7183130 AIQDMEPUXOZZSQ-UHFFFAOYSA-N 313.309 3.365 0 40 DGAB Cc1ccc2c(CC(=O)NCc3cccs3)cc(=O)oc2c1 9704842 KPGMWGIQCNZUFL-UHFFFAOYSA-N 313.378 3.022 0 40 DGAB Cc1cccc(CC(=O)NCCCc2ccc(N(C)C)cc2)c1 11693656 OLTFMAQIAZLUDD-UHFFFAOYSA-N 310.441 3.353 0 40 DGAB O=C(COc1ccc(F)cc1)NCC1(c2ccc(F)cc2)CC1 11899816 YAAUEXFGBHSRDU-UHFFFAOYSA-N 317.335 3.192 0 40 DGAB Brc1cnc(N2[C@H]3CC[C@H]2CC(=C2CC2)C3)nc1 1775977210 SBIHVFLRZWLIJE-STQMWFEESA-N 306.207 3.461 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC[C@H](COc2ccncc2)C1 1775971816 NRDRIXGCIANWFK-AWEZNQCLSA-N 314.360 3.152 0 40 DGAB COc1ccc(C(=O)C(C)(C)OC(C)=O)cc1C(F)(F)F 575360156 GCFCCQNTOKPYPW-UHFFFAOYSA-N 304.264 3.238 0 40 DGAB Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C)ccc2O)c1 512913 SQLHKOBSHIXDFF-UHFFFAOYSA-N 314.410 3.444 0 40 DGAB CCCCSCC(=O)Nc1ccc(-n2nc(C)cc2C)nc1 31216078 VLTPOIBPSHTDGD-UHFFFAOYSA-N 318.446 3.356 0 40 DGAB CC(C)[C@](CCN1CCCC1(C)C)(C(N)=O)c1ccccc1 1655400 LIKKWSOVYMHVCH-IBGZPJMESA-N 302.462 3.330 0 40 DGAB C[C@H]1CN(Cc2ccccc2)C(=S)N(c2ccccc2)C1=O 1679442 ZBZUARDFCQKAQM-AWEZNQCLSA-N 310.422 3.456 0 40 DGAB Cc1sc2nc(O)n3nc(Cc4ccccc4)nc3c2c1C 32105910 HWLJFNIJHPNYNS-UHFFFAOYSA-N 310.382 3.252 0 40 DGAB OC1CCN(C(=S)Nc2ccc(Cl)c(Cl)c2)CC1 6321261 MMMCIHFJIMGQFJ-UHFFFAOYSA-N 305.230 3.147 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC=C4NC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2C(=O)O 6500173 WNUUCDPRBZUXGL-UUBMZHIOSA-N 317.429 3.334 0 40 DGAB CC1CCC(NC(=O)CSc2nnc(-c3ccco3)o2)CC1 7564753 HZGASAUBXJZUOJ-UHFFFAOYSA-N 321.402 3.117 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)cc1 8120483 RYDLTNUBHVXOMM-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB CCOc1cc(CNC2CC2)cc(Br)c1OCC 8253808 QOYQINPHBWFBHF-UHFFFAOYSA-N 314.223 3.499 0 40 DGAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cn4)C[C@@H]1CC[C@@]23C 100983360 ZGARUBWYPAYASO-MVWHLILJSA-N 306.793 3.269 0 40 DGAB CC(=O)Cc1nsc(NC(=O)c2ccc(C(C)(C)C)cc2)n1 2687340 JTMRFIAHDITPAF-UHFFFAOYSA-N 317.414 3.219 0 40 DGAB Cc1cc(NC(=O)N(C)CCOc2ccccc2Cl)no1 32841230 WIWUYZZFMXDQDV-UHFFFAOYSA-N 309.753 3.179 0 40 DGAB CN(C)Cc1cccc(CNC(=O)c2cc3c(s2)CCC3)c1 33084730 HMUIEEJOSBSFKS-UHFFFAOYSA-N 314.454 3.228 0 40 DGAB Cc1ccccc1CN(C)Cc1ccccc1N1CCOCC1 53139421 ZQMJSOLPMRJUGV-UHFFFAOYSA-N 310.441 3.464 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccsc2)c1 22652611 LVEZLDUWALSQKM-UHFFFAOYSA-N 302.399 3.482 0 40 DGAB O=S(=O)(Nc1nc2ccccc2[nH]1)c1ccc(Cl)cc1 814426 HPLUYJOCUCXWLK-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB Cc1sc2ncnc(N(C)[C@@H]3CCN(C)C[C@@H]3C)c2c1C 75105836 SMXHBZICMASRAO-GXFFZTMASA-N 304.463 3.085 0 40 DGAB Cn1cc(NC(=O)COc2ccc3oc4ccccc4c3c2)cn1 24585154 ZZEFYPIHHYRYJM-UHFFFAOYSA-N 321.336 3.337 0 40 DGAB COc1cc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)ccc1O 58872046 CVXCHWBSFIDVSJ-NTEUORMPSA-N 309.321 3.054 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2[nH]cnc2c1 23387065 RYZWYNLLSLDPCF-GHMZBOCLSA-N 311.307 3.414 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)Cc2c(C)noc2C)cc1C 24267247 CLVQVOILWZVSFM-CQSZACIVSA-N 315.369 3.265 0 40 DGAB CN(Cc1cccc(Cl)c1)C(=O)NCC1(N(C)C)CCCC1 43147371 MVBJXDFBHZRALT-UHFFFAOYSA-N 323.868 3.356 0 40 DGAB Cc1ccc(-n2c(C)nn(Cc3ccc(Cl)cc3)c2=O)cc1 1395222 PWILSZMCCGGETQ-UHFFFAOYSA-N 313.788 3.353 0 40 DGAB O=C1OCC2=C1[C@H](c1cccs1)CC(=O)N2c1ccccc1 1427592 HNMUFYNMPHMFGC-LBPRGKRZSA-N 311.362 3.080 0 40 DGAB COCc1ccccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 25306497 XVWGZLOWAJDILV-ZWKOTPCHSA-N 313.372 3.392 0 40 DGAB O=C(CCc1cc2ccccc2o1)Nc1ccc2[nH]c(=O)[nH]c2c1 25384806 BJZOPMSRSXJECJ-UHFFFAOYSA-N 321.336 3.174 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)no1 23679657 JYLDIBLKFRZZRM-VIFPVBQESA-N 309.163 3.237 0 40 DGAB O=C(Cn1ccccc1=O)OC(c1ccccc1)c1ccccc1 44202820 DVDPJAYXTCEEAN-UHFFFAOYSA-N 319.360 3.181 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)CN1CCc2sccc2C1 10093584 VCJIZGGASSOYCL-AWEZNQCLSA-N 314.454 3.292 0 40 DGAB CCOc1ccc(NC(=O)CNCc2cccc(Cl)c2)cc1 58162323 AHTPZXNMAIRRRS-UHFFFAOYSA-N 318.804 3.467 0 40 DGAB O=C(Cc1ccc(Cl)cc1Cl)OCC(=O)c1ccc[nH]1 3347805 IFDSQQKLWZTJIO-UHFFFAOYSA-N 312.152 3.290 0 40 DGAB CCCCC(=O)Nc1cc2[nH]c(O)nc2cc1Br 408532107 LZAFLBPWPGOGOF-UHFFFAOYSA-N 312.167 3.160 0 40 DGAB Cc1ccccc1OCCN(C)CC(=O)N[C@H]1CCCC[C@@H]1C 12751286 OFTRZKHUUHQWAT-RDJZCZTQSA-N 318.461 3.001 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)o1 48262308 BWXURKRRDOFSJC-CJNGLKHVSA-N 323.396 3.043 0 40 DGAB C[C@@H]1c2ccsc2CCN1Cn1ncc2ccccc2c1=O 12878607 QHMKJMSXUJIXNG-GFCCVEGCSA-N 311.410 3.035 0 40 DGAB CC(C)CC(=O)N1CCC(c2n[nH]c(=S)n2C(C)C)CC1 68435747 TXQSDENZTPVVJM-UHFFFAOYSA-N 310.467 3.274 0 40 DGAB Cc1ccc2cccc(OCC(=O)N3C[C@@H](C)C[C@@H](C)C3)c2n1 12941357 SPTHPIRQSXVAKF-OKILXGFUSA-N 312.413 3.427 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)c1 13133062 NVUNITSESMJPAG-CYGHRXIMSA-N 323.392 3.371 0 40 DGAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1c[nH]c2ccccc12 5196126 PSOBVRONUCTUFL-NSHDSACASA-N 312.325 3.201 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2ccccc2F)cc1 5353441 XOTRZWSEBHKCPX-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1ccc(OCCCNC(=O)/C=C/c2nccs2)cc1 69351020 IHMFULCSYDAWRH-BQYQJAHWSA-N 302.399 3.050 0 40 DGAB CC[C@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 14168719 AJGNGFKXYQXYDI-HOTGVXAUSA-N 311.381 3.136 0 40 DGAB COc1ccccc1CC(=O)NCCc1csc(C(C)C)n1 69567835 ZPOUFAHVMGFRSM-UHFFFAOYSA-N 318.442 3.177 0 40 DGAB COC[C@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246100 AXGRWMQZRRSYCJ-VIFPVBQESA-N 323.393 3.099 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl 69699785 NGWGUYMFIHZAEM-CABCVRRESA-N 310.800 3.178 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc3c(c2)CCCC3)o1 7218697 QZJJWIAHFXJMGF-UHFFFAOYSA-N 319.426 3.288 0 40 DGAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccc2[nH]cnc2c1 8719904 VFNZKHPGGLYOQW-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB Fc1ccc(CN2CCN(Cc3ccc(F)cc3)CC2)cc1 19359139 ADDGKBOMXLUYET-UHFFFAOYSA-N 302.368 3.283 0 40 DGAB CN(Cc1cscn1)C(=O)NCC1(c2ccccc2)CC1 71826954 WJYOOBYVPATDRC-UHFFFAOYSA-N 301.415 3.016 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CCN(CC2CCCC2)CC1 72278339 ZELNUGCFUSYXBS-UHFFFAOYSA-N 324.827 3.427 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2cc(C)on2)n1 72284703 YEEOTUKWDBJZDO-ZDUSSCGKSA-N 305.403 3.044 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(C)n1C1CC1 72234486 VVSLNTGGXIAZKE-MSOLQXFVSA-N 315.461 3.139 0 40 DGAB CC(=O)N[C@@H](C)C(=O)Nc1ccccc1NCC1CCCCC1 97083342 AFINAMPEGGYETH-ZDUSSCGKSA-N 317.433 3.142 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H]2C[C@H]2c2cccc(F)c2)cs1 84274687 CDXCARYWZHNEIO-GJZGRUSLSA-N 319.405 3.288 0 40 DGAB Cc1csc(CCNC(=O)c2cccc3ccc(C)nc23)n1 95400469 CGKHXAGMKUMHSQ-UHFFFAOYSA-N 311.410 3.281 0 40 DGAB CC[C@H](NC(=O)N[C@H](CCO)C1CCCCC1)c1ccncc1 95424801 QIYHLMBRTOJXGN-DLBZAZTESA-N 319.449 3.163 0 40 DGAB COc1ccc(NC(=O)c2ccc3nc(C)ccc3c2)cc1CO 95977753 ISPDKMKLCKWESX-UHFFFAOYSA-N 322.364 3.296 0 40 DGAB CSc1ccc(CNC(=O)N(C)Cc2cccn2C)cc1C 95966173 LYALKGSEFNAYAP-UHFFFAOYSA-N 317.458 3.397 0 40 DGAB Cc1occc1-c1nnc(SCCN2CCC(C)CC2)n1C 79094959 MBVNXJJVQHIKLD-UHFFFAOYSA-N 320.462 3.208 0 40 DGAB Cn1cc(NC(=O)c2ccc(Cl)c(-n3cccc3)c2)cn1 79485311 KCLCAXBEVRKBNV-UHFFFAOYSA-N 300.749 3.117 0 40 DGAB COCc1cc(C(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)no1 110629478 AQRHYYYLQVOWJN-BYNSBNAKSA-N 318.417 3.252 0 40 DGAB C[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)[C@H]2C1 409061744 HCOAZUAYCICIML-ZDMBXUJBSA-N 322.327 3.280 0 40 DGAB Cc1cc([C@H]2CCCN2CC(C)C)cnc1N1CCOCC1 72219344 IUAHONFVGHPSKC-QGZVFWFLSA-N 303.450 3.020 0 40 DGAB NC(=O)c1ccc(OCc2ccccc2F)c(Br)c1 216819174 FDONYTIPEBRMLF-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB COc1ccc([C@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 30854430 SNYCILBQYONGJN-STQMWFEESA-N 317.360 3.479 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 215910760 VGWPKCOANXWONX-VPWBDBDCSA-N 305.443 3.481 0 40 DGAB Cc1ccc(-c2noc(-c3cc(C(F)(F)F)nn3C)n2)cc1 36614301 QHMVIOWRZJBUQY-UHFFFAOYSA-N 308.263 3.464 0 40 DGAB CC(C)Oc1ccc(C(=O)NCC[C@H](O)c2cccs2)cc1 77113741 RXGVDYKYUAYQPQ-HNNXBMFYSA-N 319.426 3.389 0 40 DGAB O=C(CCc1ccncc1)NC1(c2cccc(Cl)c2)CC1 77164317 VHXRBKGOQIORIX-UHFFFAOYSA-N 300.789 3.473 0 40 DGAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@@H]1CCO 562368646 PRQHVQHOAJGGNI-MRXNPFEDSA-N 311.385 3.127 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2cccs2)cc1C 225477724 DQVHJUONWVJBOT-CQSZACIVSA-N 303.427 3.491 0 40 DGAB CCOc1ccccc1CNC(=S)Nc1cccc(C)n1 225444077 LUUAPVSJSJPKQK-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB CCOC(=O)CN(C(=O)c1ccc2ccccc2n1)C(C)(C)C 193837617 SGZZFXNQVDVFRQ-UHFFFAOYSA-N 314.385 3.039 0 40 DGAB COC[C@H](Nc1ncnc2ccc(F)cc12)c1ccc(C)o1 81010068 LGVABCICCCXJMX-AWEZNQCLSA-N 301.321 3.470 0 40 DGAB COc1ccccc1-c1nc2nccc(-c3ccccc3)n2n1 96345045 VVVGQZNMWHHPOQ-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB c1ccc(Oc2ccc(CN[C@H]3CCc4[nH]ncc4C3)o2)cc1 97236035 OTOQLBDIMYIYRS-AWEZNQCLSA-N 309.369 3.442 0 40 DGAB CN(Cc1cccnc1)C1CC2(CCN(c3ccccn3)CC2)C1 96159246 AQVJHKGGDICCHD-UHFFFAOYSA-N 322.456 3.358 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)N3CC[C@H](O)C3)cc2)cc1 96501773 XMBMVUMVVVUMNZ-HNNXBMFYSA-N 312.369 3.386 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)Nc2c(F)cccc2F)c(C)o1 96097352 QGKVMNZXCNGJKK-AWEZNQCLSA-N 324.327 3.420 0 40 DGAB CCNC(=O)N[C@@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583652049 XPAQILZUQDORCA-LURJTMIESA-N 301.177 3.250 0 40 DGAB Cc1cc(NC(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)no1 96192903 DINYQTBTHYVQSY-OAHLLOKOSA-N 319.748 3.158 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@H]2C)cc1 245225454 VRFZBJIQPMQNMG-ZIAGYGMSSA-N 317.433 3.274 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)c3scnc3C)C2)s1 257252255 JUDGEQKSNOFTRF-LLVKDONJSA-N 307.444 3.236 0 40 DGAB Cc1cc2nccc([C@@]3(C)CCCN3Cc3cscn3)n2n1 257281978 ORTUJOWIFYGWBI-MRXNPFEDSA-N 313.430 3.005 0 40 DGAB Cc1cncc([C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257306242 STKPSUFHEOIQAP-HNNXBMFYSA-N 320.396 3.286 0 40 DGAB OC[C@@H](Nc1ccc(C(F)(F)F)cn1)c1cccc(F)c1 390833426 HILOGHVQEPQLNO-GFCCVEGCSA-N 300.255 3.385 0 40 DGAB O=C(O)c1c(Br)ccc(F)c1OC(F)(F)F 575689681 ZKBHDESMKSIEGU-UHFFFAOYSA-N 303.005 3.185 0 40 DGAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)OCCO2 43483282 QGBSHXHHADDOIO-GFCCVEGCSA-N 313.357 3.044 0 40 DGAB CN(C(=O)[C@@H]1CCCN1C(=O)c1cccs1)c1ccccc1 46469494 AVZQYNOFZGXCIZ-AWEZNQCLSA-N 314.410 3.016 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1nccc2ccccc12 63473682 KSDRNMXCNPJKBQ-INIZCTEOSA-N 304.349 3.488 0 40 DGAB COc1cc(F)cc(NCc2nc(Cc3ccccc3)no2)c1 95414091 KQSWSXBVYYRMKF-UHFFFAOYSA-N 313.332 3.420 0 40 DGAB O=C(Nc1ccccc1NCCc1ccccn1)c1ccccn1 97238776 KPIHAOIKNGTWQX-UHFFFAOYSA-N 318.380 3.384 0 40 DGAB CSc1ccc([C@H](NCc2ccccc2)P(=O)(O)O)cc1 12997480 UUUJSCXPTTYYCP-OAHLLOKOSA-N 323.354 3.375 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)CCNC(=O)c1ccc(Cl)cc1 15307283 MTTDVVJKDNBPQW-CYBMUJFWSA-N 324.852 3.401 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)c(OC)c1 4588694 PDNWAXFQRNDZOJ-YBEGLDIGSA-N 323.348 3.357 0 40 DGAB Fc1ccc(N2CCN(c3cc(C4CCC4)ncn3)CC2)cc1 1888875591 LETHOKACLBDOIB-UHFFFAOYSA-N 312.392 3.210 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 1889093028 BPNLPLHHVIXGPG-AWEZNQCLSA-N 312.417 3.135 0 40 DGAB Cc1cccc(CC(=O)N2CCC[C@H](COc3ccncc3)C2)c1 1776000859 NCRRDMBNDCBVJP-SFHVURJKSA-N 324.424 3.250 0 40 DGAB NC(=O)[C@@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 30007563 MAYCJBSAGMQPQT-AWEZNQCLSA-N 309.196 3.310 0 40 DGAB c1cc2cc(C[C@@H]3CCCN(C4CCOCC4)CC3)cnc2[nH]1 2037838541 NADNVKXVHLWDFW-OAHLLOKOSA-N 313.445 3.387 0 40 DGAB O=C(CSc1ncnc2ccccc12)Nc1cccc(F)c1 3244964 BHQGKYLWNJZXMY-UHFFFAOYSA-N 313.357 3.500 0 40 DGAB O=C1[C@@H]2CS[C@H](c3cccs3)N2C(=O)N1c1ccccc1 4520153 RHQSYROQZIPAOE-SMDDNHRTSA-N 316.407 3.331 0 40 DGAB O=C(Nc1cccc2ncccc12)[C@@H]1COc2ccccc2O1 4745783 PERFALYUVLKLGO-KRWDZBQOSA-N 306.321 3.013 0 40 DGAB CSc1ccccc1NC(=O)C(=O)Nc1ccc(C)cc1 10326664 DXKWLQKILPAFNV-UHFFFAOYSA-N 300.383 3.294 0 40 DGAB CN1CCC(CNC(=O)Cc2ccc(-c3ccccc3)cc2)CC1 23013648 CNPPLDPWNQKVKK-UHFFFAOYSA-N 322.452 3.354 0 40 DGAB C[C@@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 6455106 VDCAHDGCQYGKRX-YPMHNXCESA-N 318.244 3.465 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(CNc2ncccn2)cc1 40091229 DRZYAHVYGJYADM-AWEZNQCLSA-N 310.401 3.103 0 40 DGAB CCCOCC(=O)NCCCO[C@@H]1CCCc2ccccc21 70874496 BYUXVRWKRFPKOR-QGZVFWFLSA-N 305.418 3.014 0 40 DGAB CC(C)c1noc([C@@H](C)N(C)Cc2ccc3c(c2)OCCO3)n1 40496455 CZXFAQHCRKEXRH-GFCCVEGCSA-N 317.389 3.157 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)nc3cc(C)ccc32)cc1 911825 DTJKBYPLIBIIRN-UHFFFAOYSA-N 300.383 3.199 0 40 DGAB COc1ccc(/C=C(\C(N)=O)c2nc3ccccc3s2)cc1 3849074 KITCTISLFFGFON-JLHYYAGUSA-N 310.378 3.331 0 40 DGAB Cc1nc(NC(=O)CCC2CCCCC2)sc1C(=O)N(C)C 6254997 WWUZBKQSQPWJEN-UHFFFAOYSA-N 323.462 3.452 0 40 DGAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC2CCCC2)o1 7194837 MIUOBYOZBNLCDG-JTQLQIEISA-N 321.402 3.177 0 40 DGAB Cc1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)o1 32330092 SMURHCHHPISWPA-UHFFFAOYSA-N 319.415 3.325 0 40 DGAB COc1cc(OC)c(NC(=O)COc2ccccc2)cc1Cl 363234 LHUBCRTUOJETBU-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB O=C(OCCOc1ccc(Cl)cc1Cl)c1cnccn1 8073555 DMHQIOLVAXAFMC-UHFFFAOYSA-N 313.140 3.019 0 40 DGAB C[C@@H](CCc1ccco1)NC(=O)NCCc1ccccc1F 32779693 FYLTWCBPVNQILX-ZDUSSCGKSA-N 304.365 3.282 0 40 DGAB C[C@@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccccc1 32726797 ZUDHDNZKNAMRST-CYBMUJFWSA-N 316.426 3.136 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1cccc(F)c1 32911497 GKZXFMVAQDEMFH-GOSISDBHSA-N 312.388 3.220 0 40 DGAB COc1ccc(NC(=O)c2ccc(OC)c(Cl)c2)cc1N 57340449 UXOQXYUSBCLYSE-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cc1cc(C)cc(NC(=O)c2nnn(-c3ccccc3)c2C)c1 2713182 QOJNRBWFRVRDTQ-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB O=C(NCc1ccc(F)cc1F)c1cc(-c2cccs2)[nH]n1 51315959 MQXGUURDFBPOEK-UHFFFAOYSA-N 319.336 3.346 0 40 DGAB Cc1nc(-c2ccccc2OCC(=O)Nc2ccccc2)no1 33324953 SJFOIIWHUVYCLH-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccc(Cl)cc1 52818362 OVRRJIKZUUTKEJ-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB O=C(NCc1ccccc1)c1c[nH]c(=S)n1-c1ccccc1 12556130 HZCVHSYSJHVVDO-UHFFFAOYSA-N 309.394 3.465 0 40 DGAB CC[C@H](Nc1cccc(C(C)=O)c1)C(=O)Nc1cc(C)on1 12562361 CTJNNQVYKMLVJM-AWEZNQCLSA-N 301.346 3.015 0 40 DGAB COCc1ccccc1CNC(=O)CCC(=O)c1cccs1 23132434 FRMAULLJVAYBNL-UHFFFAOYSA-N 317.410 3.174 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CCCCCC1 54446788 WHBLCHRTFBBQDS-AWEZNQCLSA-N 312.413 3.341 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1CCc1ccccc1 55485674 QROCFJAXYIIRQJ-KRWDZBQOSA-N 312.413 3.458 0 40 DGAB COc1ccc(OC)c(C(=S)NCc2ccc(F)cc2)c1 66148366 PNFQVVSCPSFBKW-UHFFFAOYSA-N 305.374 3.308 0 40 DGAB Cc1ccsc1CNc1ccc2nnc(C(F)(F)F)n2n1 26730846 PQNOOEWETHQYCF-UHFFFAOYSA-N 313.308 3.125 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CCCO1 12614474 NGJALTJMLVJLDX-CYBMUJFWSA-N 320.389 3.166 0 40 DGAB Cc1c([C@H](C)NC[C@@H]2CNc3ccnn3C2)oc2ccccc12 58377686 OJXYXPODKAUEDR-UONOGXRCSA-N 310.401 3.330 0 40 DGAB Cc1ccc2cc(C(=O)NCCN(C(C)C)C(C)C)[nH]c2c1 12921775 PCVJERFFEHFYDL-UHFFFAOYSA-N 301.434 3.325 0 40 DGAB Cc1ccc(NC2=NS(=O)(=O)c3cc(F)ccc3S2)cc1 6184103 DBLSKRQNGDNNNQ-UHFFFAOYSA-N 322.386 3.397 0 40 DGAB COc1ccc(N(C)C(=O)CCCOCc2ccccc2)cn1 65126138 JPUCZNGHNMQBDY-UHFFFAOYSA-N 314.385 3.050 0 40 DGAB COc1ccc(C)cc1CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 5313148 ZLAVMYYLDRFRCG-FZKQIMNGSA-N 316.401 3.004 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(N(C)C)c(F)c2)no1 65541910 VWFXDZCXTGMXIS-INIZCTEOSA-N 317.364 3.165 0 40 DGAB CC(C)CC(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 14200459 XXVIHPPBMRBHFC-UHFFFAOYSA-N 319.430 3.118 0 40 DGAB Cc1c(C(=O)N[C@H](C(N)=O)c2ccccc2)sc2ccccc12 8981066 SOTYOJKMHSQJPT-HNNXBMFYSA-N 324.405 3.166 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)C1CCC1 5510394 HFERGFZIXCXFKZ-UHFFFAOYSA-N 315.200 3.190 0 40 DGAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1ccc2c(c1)CCC2 14664845 DBBPQIVUJYXAPA-KRWDZBQOSA-N 307.349 3.416 0 40 DGAB CC1CCN(C(=O)C2CCN(C[C@H]3CC=CCC3)CC2)CC1 5614462 CKLPCDAYEILYRE-KRWDZBQOSA-N 304.478 3.313 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 5793812 LGACXVYQLUHXOK-ZNMIVQPWSA-N 301.386 3.148 0 40 DGAB O=C(Cc1ccccc1)NCc1ccccc1CN1CCCC1 24189716 VQYFVHUPDHPMKE-UHFFFAOYSA-N 308.425 3.141 0 40 DGAB CN(CCc1ccccn1)C(=O)c1cccc(C(F)(F)F)c1 6911112 CBWNGJOTXPYTMT-UHFFFAOYSA-N 308.303 3.415 0 40 DGAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1C 67298251 SXNDKNOYMKXCKT-ZZEZOPTASA-N 308.337 3.087 0 40 DGAB Cn1c(=N)n(CCOc2ccccc2Cl)c2ccccc21 19900288 RHULQQYJNHIWHQ-UHFFFAOYSA-N 301.777 3.192 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1ccc(SC(F)F)cc1)C(C)C 9366439 BUNHHCUHFIJLGP-LBPRGKRZSA-N 316.373 3.101 0 40 DGAB C[C@H](NC(=O)c1cc(F)ccc1F)c1nc2ccccc2[nH]1 9467631 GEMPJZFTXOYMCS-VIFPVBQESA-N 301.296 3.332 0 40 DGAB CO[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118923040 QUBMMHUOTQYUMC-RWFPPTNKSA-N 320.473 3.296 0 40 DGAB Cc1cn2c(CN3CCO[C@H](c4ccco4)C3)c(C)nc2s1 93841734 BXDHSWZACOMCLB-HNNXBMFYSA-N 317.414 3.179 0 40 DGAB CCC(CC)c1cc(CNC(=O)NCc2ccoc2C)on1 96439380 OWHAJNFCTHNWDL-UHFFFAOYSA-N 305.378 3.479 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cccnc1)N(Cc1ccccc1)CC(F)F 96432655 NQYWOHKZKLMKSD-HZPDHXFCSA-N 316.351 3.479 0 40 DGAB O=C(N1C[C@H]2CCCC[C@H]2C1)C1(c2ccccc2)CCOCC1 89827745 ZHYAQKDMSIYPCF-CALCHBBNSA-N 313.441 3.383 0 40 DGAB Cc1cc(-n2cccc2)ccc1C(=O)N(C)Cc1ccccn1 84089941 BHIOCDUDGXNYRK-UHFFFAOYSA-N 305.381 3.453 0 40 DGAB C[C@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C 72293552 MEUHIWPWIBOXLB-ZFWWWQNUSA-N 324.465 3.328 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H](C)n2c(C)ccc2C)C1 72234606 WPRMJNFPAYTLQK-NVXWUHKLSA-N 314.433 3.035 0 40 DGAB CCOc1ncccc1C(=O)N1CCCC[C@@H]1c1nccs1 72298558 SLGPEFJFDLCYCT-CYBMUJFWSA-N 317.414 3.304 0 40 DGAB Cc1cnc(CCNC(=O)N2c3ccccc3C[C@@H]2C)s1 84259505 MYHUHAPCPVUSFW-NSHDSACASA-N 301.415 3.155 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@H]1CCN(c2ccccc2)C1 97159137 HTOCDZFKHHTWAH-OAHLLOKOSA-N 312.461 3.323 0 40 DGAB Cc1n[nH]cc1CNCc1cccc(COCc2ccco2)c1 97159374 LQWITOMAMYKFOB-UHFFFAOYSA-N 311.385 3.318 0 40 DGAB CSc1c(F)cc(NC(=O)NCc2cccnc2)cc1F 97107724 VWNOIENPQABEAA-UHFFFAOYSA-N 309.341 3.403 0 40 DGAB COc1ccccc1CC(=O)N1C[C@H](C)Oc2cc(C)ccc21 72312797 GLPYIGGBDKLGFQ-AWEZNQCLSA-N 311.381 3.360 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)N(C)Cc2csc(C)n2)C1 76088356 GXFLXWNYXLUGDW-AAEUAGOBSA-N 313.492 3.267 0 40 DGAB O=C(c1ccc(Cl)o1)N1CCC[C@H]1c1noc(C2CC2)n1 84436727 UFEGVKDHIKOYFQ-VIFPVBQESA-N 307.737 3.171 0 40 DGAB COc1ccc(Cl)c2c1N(C(=O)c1cc(C)no1)CCC2 76177965 UGOWLOQXOASQPQ-UHFFFAOYSA-N 306.749 3.238 0 40 DGAB Cc1ccc(C)c(C(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1 95430042 SAQSWKVQRPAEIS-CXAGYDPISA-N 301.361 3.294 0 40 DGAB O=C(CCc1ccc(F)cc1)NCc1ccnc(NC2CC2)c1 95464997 KMIQBHNIXXACRH-UHFFFAOYSA-N 313.376 3.044 0 40 DGAB CCc1ccc([C@@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)o1 95420514 STLKUDJDLBPOJR-VXGBXAGGSA-N 304.356 3.377 0 40 DGAB C[C@H]1OCC[C@H]1C(=O)N(Cc1ccncc1)CC1CCCCC1 95983294 RUIPNMCNKWVLDA-CRAIPNDOSA-N 316.445 3.416 0 40 DGAB COC(=O)c1c(C)ccc(F)c1NC(=O)c1ncoc1C(C)C 95960148 BDWGLDYHEXJWDT-UHFFFAOYSA-N 320.320 3.284 0 40 DGAB O=C(NCc1ccco1)N[C@@H]1CCCOc2cc(F)ccc21 95990412 KCBOANJWFLGTTE-CQSZACIVSA-N 304.321 3.132 0 40 DGAB FC(F)(F)[C@H]1CCC[C@H](NCc2nnc3n2CCCCC3)C1 129186486 SSEJVMFFPXUXBF-RYUDHWBXSA-N 316.371 3.215 0 40 DGAB Fc1ccc2[nH]c3nc(SCc4cccnc4)nnc3c2c1 35290085 CWPKNXMDIYZSCG-UHFFFAOYSA-N 311.345 3.333 0 40 DGAB Cc1cc(C)n2nc(S[C@@H]3CCOC4(CCCC4)C3)nc2n1 521394521 LDLLZXPPTKABJP-CYBMUJFWSA-N 318.446 3.325 0 40 DGAB COCCNc1c(-c2ccc(Cl)cc2)nc2cnccn12 72341901 OAYDWUIGQQIYBE-UHFFFAOYSA-N 302.765 3.108 0 40 DGAB Cc1ccccc1C(=O)NCCc1nc(-c2ccccc2)no1 32593780 DZZKTMCJYPDOGK-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 38755241 YQSODPWLNIMRLL-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB COc1ccnc(N2CC=C(c3c[nH]c4ccccc34)CC2)n1 32871913 ZFYJGMVWWLGRTG-UHFFFAOYSA-N 306.369 3.260 0 40 DGAB C[C@](O)(CCc1ccccc1)CNC(=O)NC1CCCCC1 62021523 ODXUQVCDOJOETR-SFHVURJKSA-N 304.434 3.002 0 40 DGAB C[C@@](O)(CNCc1sccc1Br)c1ccco1 185039034 UUZPHTMHHUGDBK-GFCCVEGCSA-N 316.220 3.101 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)c2ccc(Cl)cc2F)C1 46960597 OWWRFKNVZBJSQR-GFCCVEGCSA-N 312.816 3.331 0 40 DGAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@H]1CCCN1C=O 72214786 LTKNMHQTNZQEDY-CQSZACIVSA-N 319.405 3.136 0 40 DGAB O=C(CCc1cccnc1)Nc1cc(-c2ccccc2F)no1 79028360 GFSXEIAFLFZJKX-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CCc1ccc(OCCNC(=O)COc2ccccc2C)cc1 223365939 JVEGHSYMWPJZOM-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccccc1NC(=O)CCc1c(OC)cccc1OC 225995273 GEVGGFIWNPFPOY-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CSc1ccccc1[C@@H](C)NC(=O)N[C@H](C)c1cnn(C)c1 225694474 JGLNPKJOPKXETE-VXGBXAGGSA-N 318.446 3.263 0 40 DGAB CC(C)(C)C(=O)Nc1ccc(OCC(=O)N2CCCCC2)cc1 225591886 CQHYFVICWZQSJE-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)Cc2ccc(Cl)cc2)C1 48310110 RHMODXZERBDYFM-GJZGRUSLSA-N 322.880 3.367 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222768787 BQFXISOACWYRQX-KGLIPLIRSA-N 303.456 3.444 0 40 DGAB C[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@@H](c2ccco2)C1 195531862 GAPCGJSCALIEHM-GDBMZVCRSA-N 323.396 3.261 0 40 DGAB COc1cc2c(c(C)c1OC)[C@H](Cc1ccc(O)cc1)NCC2 24717669 YSMUOYHZXXHUDU-INIZCTEOSA-N 313.397 3.147 0 40 DGAB biogenic CSc1ccc(CNC(=O)c2c(C)n[nH]c2C(C)C)cc1 95449132 LSJGROBHYPVYNI-UHFFFAOYSA-N 303.431 3.493 0 40 DGAB O=C(CSC1CCCC1)N1CCO[C@@H](c2ccccc2)C1 96025664 LNXVERWQXHVEJT-MRXNPFEDSA-N 305.443 3.262 0 40 DGAB COc1ccc([C@@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1 95533663 FGBALOPNCKLHHU-CQSZACIVSA-N 314.776 3.182 0 40 DGAB Cc1ccc(-c2[nH]c([C@H]3CC(=O)N(C4CC4)C3)nc2C)c(C)c1 23191624 GRVIQPXIDWXYLN-AWEZNQCLSA-N 309.413 3.480 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@@H](C)n2ccnc2)[C@@H]1c1ccccc1 96411314 GECUFRDUQANWNT-YCPHGPKFSA-N 315.442 3.149 0 40 DGAB C[C@@H](SCC(=O)NCc1cccnc1)c1c(F)cccc1F 96409778 HTCWYXHMOZSTHN-LLVKDONJSA-N 322.380 3.470 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)o1 96053861 BJPPALGUHJGSHI-CALCHBBNSA-N 314.404 3.291 0 40 DGAB CN1CCC[C@H]1c1nccnc1C(=O)Nc1ccc(Cl)cc1 257275826 NRBSYXXQFCOAAG-ZDUSSCGKSA-N 316.792 3.149 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)n1 257271639 MZDPARJDVMVEKN-OAHLLOKOSA-N 312.348 3.316 0 40 DGAB CCC(CC)C(=O)NCc1cn2cc(Br)ccc2n1 48817152 FIYIPHRVHNTOFN-UHFFFAOYSA-N 324.222 3.149 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1 69201975 DJQLJHYPKYKNBI-CYBMUJFWSA-N 305.422 3.301 0 40 DGAB COc1ccc([C@@H]2CCCN2c2nnc(C)s2)c(OC)c1 84291757 HFOBZSCWPFFTRP-ZDUSSCGKSA-N 305.403 3.205 0 40 DGAB Cc1nnc(N2CCN(c3cc(Cl)ccc3C)CC2)s1 301341104 GGOVJRDIEGILCQ-UHFFFAOYSA-N 308.838 3.135 0 40 DGAB CSc1ccc(CCC(=O)N[C@H]2CCC23CCOCC3)cc1 585409591 QHDZDHKSKPUSKX-INIZCTEOSA-N 319.470 3.417 0 40 DGAB O=C(NCCc1ccccc1Br)c1ccccc1 1578047 OGJVXCUYWUQPTJ-UHFFFAOYSA-N 304.187 3.422 0 40 DGAB Cc1ccc(C)c(Cn2nc(-c3cccs3)cc(N)c2=O)c1 12146710 QBZVCVBWBNLQDR-UHFFFAOYSA-N 311.410 3.219 0 40 DGAB CCCCCNC(=O)CCc1nc(-c2ccc(C)cc2)no1 17322728 SUHQAJOFVVEWQR-UHFFFAOYSA-N 301.390 3.284 0 40 DGAB Cc1cnn(CC2CN(C(=O)c3cc4ccccc4s3)C2)c1 1848739861 PMVCRJQFWIHCSL-UHFFFAOYSA-N 311.410 3.178 0 40 DGAB CC[C@@H](C)N1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1848877749 OTFJMAIQKZOMAI-CQSZACIVSA-N 313.445 3.215 0 40 DGAB Cc1ccsc1CNC(=O)N[C@H]1CCOc2ccccc21 26176074 WGCNXWWJVACJSA-ZDUSSCGKSA-N 302.399 3.380 0 40 DGAB CCCCC(=O)NC(NC(=O)CCCC)c1cccc(OC)c1 2696725 ZKUGJUNPYZRQHH-UHFFFAOYSA-N 320.433 3.307 0 40 DGAB O=C(Nc1ccccc1)Nc1nc(C(=O)N2CCCC2)cs1 9316999 BRKRPZNPDXHZOR-UHFFFAOYSA-N 316.386 3.023 0 40 DGAB O=C(/C=C/c1ccco1)N1CCC(Oc2ccsc2)CC1 575620438 UHLOOJNWGMHAKU-ONEGZZNKSA-N 303.383 3.424 0 40 DGAB Cc1cc(C(=O)NCC[C@H](CCO)c2cccs2)c(C)o1 575603971 NANZGFLWRVELQP-CYBMUJFWSA-N 307.415 3.244 0 40 DGAB COc1cc(C2=NN[C@H](c3ccccc3)C2)cc(OC)c1OC 72408160 XMDQZLUKYFANOZ-AWEZNQCLSA-N 312.369 3.151 0 40 DGAB COc1ccc(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cn1 40012164 ZNQXZYYOMGBSTK-FZMZJTMJSA-N 300.358 3.378 0 40 DGAB CCN(CC)c1nc(C)nc2c1cnn2CCc1ccccc1 82121 NXDUHQIBVCDVJR-UHFFFAOYSA-N 309.417 3.224 0 40 DGAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 129515 SYHHETDFFUCRJZ-ZFWWWQNUSA-N 302.418 3.078 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](C)[C@H](O)c1ccc(F)cc1 75137079 CTAOESIFLNTPFD-ZBEGNZNMSA-N 318.348 3.078 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(F)c1 40544240 RFWCEVKUJMCUEM-LLVKDONJSA-N 311.316 3.367 0 40 DGAB Cc1cccc(C)c1OC(=O)c1ccc(N2C(=O)CCC2=O)cc1 3565805 IPNAIBNJAJRLSK-UHFFFAOYSA-N 323.348 3.176 0 40 DGAB O=C(CSc1nc2ccccc2o1)NCc1cccs1 3575598 AKXVOPWXOPHFRI-UHFFFAOYSA-N 304.396 3.298 0 40 DGAB O=C(Nc1nn2c(-c3ccccc3)nnc2s1)c1ccccc1 6818050 XIPBILAQHRYGMF-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 29573286 SOGHVADQHKCQEW-SNVBAGLBSA-N 317.414 3.402 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2c2nc(Cl)nc3[nH]cnc23)C1 101491400 HIOBQTUVKFDNTH-BJOHPYRUSA-N 305.813 3.411 0 40 DGAB CCc1nc2n(n1)[C@@H](c1ccco1)C=C(c1ccc(OC)cc1)N2 8570210 DTEOJIOMTXZTNL-OAHLLOKOSA-N 322.368 3.498 0 40 DGAB Cc1sc2nc(SCc3ccccc3)n(N)c(=O)c2c1C 383373 YSTCYPUXZVCSEO-UHFFFAOYSA-N 317.439 3.081 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1C 32688928 DQVJBDGQALFLRS-GOSISDBHSA-N 314.404 3.475 0 40 DGAB CS(=O)(=O)CCCN1CCCCC[C@@H]1/C=C/c1ccccc1 75109029 NKOYBCRXVPGQSA-QFQMRYFISA-N 321.486 3.379 0 40 DGAB Cc1ccc(C[C@H](CCNC(=O)OC(C)(C)C)C(=O)O)cc1 52507711 MIESPZMBLDUNIP-AWEZNQCLSA-N 307.390 3.153 0 40 DGAB CC(=O)c1cccc(NC(=O)CSc2cc(C)nc(C)n2)c1 12016666 XIIQWLPFELMKSC-UHFFFAOYSA-N 315.398 3.027 0 40 DGAB CC(C)Oc1ccc([C@@H](CC(=O)N2CCOCC2)C(C)C)cc1 554444 WXECQPGLVNKPCB-SFHVURJKSA-N 319.445 3.462 0 40 DGAB CC[C@@H](C)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 33326330 BVTHDIOHVZQNIF-CYBMUJFWSA-N 318.442 3.488 0 40 DGAB COCC[C@@H](C)NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 104387277 GTXRJQJFUYTAAF-DOMZBBRYSA-N 322.453 3.078 0 40 DGAB CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccco1 23042567 NZLPESAMHUCMTQ-CYBMUJFWSA-N 312.325 3.096 0 40 DGAB Cn1nc(C(F)(F)F)c(C(=O)Nc2ccc(F)cc2)c1Cl 1389364 LJYMRPPUCOLEJT-UHFFFAOYSA-N 321.661 3.484 0 40 DGAB CC(=O)c1csc(NC(=O)c2ccccc2OC(F)F)n1 25256409 OACROJREHBXJQZ-UHFFFAOYSA-N 312.297 3.199 0 40 DGAB CCN(CC)CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 27974731 MGIZYQVKVCAFOP-OAHLLOKOSA-N 314.429 3.065 0 40 DGAB O=C1CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1 3425369 ADBZDPFAKHBDFX-UHFFFAOYSA-N 309.365 3.071 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccccc1F 12983635 IIYUSSNTDHRBGE-CYBMUJFWSA-N 323.414 3.341 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1ccc(C)c(C(=O)O)c1 13349554 IITQCBQJHHOBPP-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB CCCNC(=O)Nc1ccc(I)cc1C 4037750 BJHIIEUFKOAZBB-UHFFFAOYSA-N 318.158 3.131 0 40 DGAB Cc1cc(C(=O)OCC(=O)NC(C)C)c(C)n1C1CCCCC1 49574846 VASHTHSYAMOQGJ-UHFFFAOYSA-N 320.433 3.292 0 40 DGAB COc1cccc(CN(Cc2ccccn2)C[C@H]2CCCO2)c1 69352173 XKKSIMAWAQYHQE-LJQANCHMSA-N 312.413 3.271 0 40 DGAB Cc1nc2cc(NC(=O)c3cnc4ccccc4n3)ccc2o1 8369323 CKVKXWUASIHFEN-UHFFFAOYSA-N 304.309 3.332 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3ccsc3)ccc21 14136328 ZOSTVEROEOUPKK-GORDUTHDSA-N 312.394 3.309 0 40 DGAB Cc1ccc(Cc2cnc(NC(=O)c3cnn(C)c3)s2)cc1 14123602 UKGIEZDAFSHFRI-UHFFFAOYSA-N 312.398 3.028 0 40 DGAB CCOc1ccc(NC(=O)CN2CCCC[C@H]2C)cc1OCC 14135391 JBXFJRXYPRIXRN-CQSZACIVSA-N 320.433 3.297 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccccc1)C1CC1 6663398 VUPZLIBAVXALSK-SFHVURJKSA-N 309.365 3.018 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)c1cc2ccccc2o1 20139652 HMTRPASCNFEPRT-UHFFFAOYSA-N 311.293 3.392 0 40 DGAB CCOc1ccc(CC(=O)Nc2nnc(CC(C)C)s2)cc1 6836494 RFYKVMAHJPSTFA-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)cc1 6831127 ODMURJMANZNQRQ-AWEZNQCLSA-N 316.307 3.017 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2cccc(C)c2)NC(=O)N1 5866982 FPSNZFAZCPNIDT-KRWDZBQOSA-N 321.380 3.262 0 40 DGAB O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2ccccn12 15479301 GUCKUGBJBFRRAE-CQSZACIVSA-N 311.410 3.093 0 40 DGAB CC(=O)NC[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1 67419376 SVFWRDXGXQOLAD-ZDUSSCGKSA-N 314.351 3.054 0 40 DGAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@@H](c1cccnc1)N3 9114343 OKVHPPALOOWDCK-AWEZNQCLSA-N 310.382 3.162 0 40 DGAB CC(C)CN(CC(C)C)S(=O)(=O)c1ccc(F)c(F)c1F 71892805 ARVYYHDKCJOLBK-UHFFFAOYSA-N 323.380 3.407 0 40 DGAB O=C([C@@H]1CCCO[C@H]1c1ccccc1)N1CCc2cnccc21 97084715 LHLBPJPRPWLIPA-AEFFLSMTSA-N 308.381 3.139 0 40 DGAB O=C(N[C@@H]1COc2ccccc21)N[C@@H](c1nccs1)C1CC1 76086508 HLWQQXVYLFVOAX-TZMCWYRMSA-N 315.398 3.027 0 40 DGAB CCn1cc(N[C@H](C)c2nc(-c3ccc(OC)cc3)no2)cn1 97139839 RZXJZXQQWJPNHX-LLVKDONJSA-N 313.361 3.135 0 40 DGAB CC(C)c1nc2ccc(NCc3nnnn3C3CC3)cc2s1 84492082 CBPXJUYFWFIIRH-UHFFFAOYSA-N 314.418 3.353 0 40 DGAB C[C@@H](CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cccc1 84636705 IEYKKLYQJHKDDI-GXTWGEPZSA-N 314.389 3.063 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1Cl)CC1(O)CCCCC1 95451113 JAINJOOSMNDBIY-UHFFFAOYSA-N 320.813 3.089 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](NC[C@@H]2C[C@@H]2c2ccccc2)C1 95430572 SYJHXRGZSLVKDS-KAUDDPROSA-N 305.487 3.460 0 40 DGAB CN(Cc1cc(Cl)cn1C)C(=O)Nc1cnc(C2CC2)nc1 95411758 UWUYFHLHVXELAD-UHFFFAOYSA-N 319.796 3.010 0 40 DGAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1ccc2c(c1)CCCO2 73251937 ZRJZBJSWASEYCC-LLVKDONJSA-N 313.401 3.169 0 40 DGAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccccn1 88200952 AHLRXDJTVTYDSR-SFHVURJKSA-N 323.440 3.271 0 40 DGAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccccc2F)n[nH]1 79106555 DJXNLGKEYXMAIN-SNVBAGLBSA-N 311.382 3.253 0 40 DGAB CC(C)(C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccccc1F 95992048 VLEJERRRSUIPRU-ZDUSSCGKSA-N 321.392 3.207 0 40 DGAB CCOC(Cn1c(C(F)(F)F)nc2ccccc21)OCC 31903430 JGYGPNYJPWJCGJ-UHFFFAOYSA-N 302.296 3.454 0 40 DGAB Cc1cccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 72227445 NNNOVXSMYRQRQM-CABCVRRESA-N 320.314 3.429 0 40 DGAB CCCn1c(CN2C[C@H]3CCCN3C[C@H]2C)nc2ccccc21 72324676 XIXUFCARCVYXMU-HZPDHXFCSA-N 312.461 3.115 0 40 DGAB O=S(=O)(Nc1ccccc1Cl)c1ccc2c(c1)CCN2 34955670 SEGQZFNDOVWCCP-UHFFFAOYSA-N 308.790 3.109 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)c3cccs3)CC2)o1 38670425 HQTZUVITUSWJER-UHFFFAOYSA-N 305.403 3.274 0 40 DGAB CO[C@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2OC(F)F)C1 189728636 QCCRHMYPPYUQLI-ZJUUUORDSA-N 318.295 3.116 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)c3ccc(F)cc3)c2)o1 73709907 CGPYGKZXUIAGJB-UHFFFAOYSA-N 311.316 3.461 0 40 DGAB O=C(NCc1cccnc1)c1cc(-c2cccc(Cl)c2)no1 66089037 QRFXPMYHVSXKOH-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB COc1cc(Cl)cc(CN2C[C@H]3CCCN3C[C@H]2C)c1OC 72324748 SXWZNVJUBWKOFT-IUODEOHRSA-N 324.852 3.026 0 40 DGAB Cc1nc(C)c(C(=O)Nc2cnccc2N2CCCCC2)s1 79041031 QQBILYCXYYPIFN-UHFFFAOYSA-N 316.430 3.398 0 40 DGAB Cn1cccc1CCNC(=O)c1ccc2sc(Cl)nc2c1 225986098 CNVRWLNXBWPQQC-UHFFFAOYSA-N 319.817 3.261 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(C)c1 225001785 PGWZFPNDLCBIAF-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CCCOc1ncc(NC(=O)C(C)(C)Br)cc1C 225880441 KDNITDBPADJEJY-UHFFFAOYSA-N 315.211 3.291 0 40 DGAB O=C([C@H]1CCCO1)N1CCc2cc(Cl)cc(Cl)c2C1 84209045 PGUXVSVHGYVLGX-CYBMUJFWSA-N 300.185 3.057 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 98211212 BYSROMQJDFJYPZ-GFCCVEGCSA-N 306.410 3.077 0 40 DGAB O=C(c1ccsc1)N(CCc1ccccc1)[C@@H]1CCOC1 96460265 CIMZNRRQLWXGSZ-MRXNPFEDSA-N 301.411 3.222 0 40 DGAB O=C(CC[C@H]1CCCO1)NCc1ccccc1OCC1CC1 96416769 WMINVSAKPHFGMD-MRXNPFEDSA-N 303.402 3.051 0 40 DGAB O=C(c1cscn1)N1C[C@H]2C[C@H](Oc3ccccc3)C[C@H]2C1 257250518 JMWHTWAHQTZELT-NHAGDIPZSA-N 314.410 3.073 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)Cc2cccs2)ccn1 257208565 BMRWYCLDIDFSBX-AWEZNQCLSA-N 301.415 3.091 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC(=O)C[C@H]3C3CC3)cc2c1C 585126183 RBQSTSADTUUNKH-SFHVURJKSA-N 310.397 3.368 0 40 DGAB CC(C)c1c(C(=O)N2CC3CC2(C)C3)cnn1-c1ccccn1 585142388 VQGAZKDTPZRTPK-UHFFFAOYSA-N 310.401 3.015 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@H]1c1cccc2nccn12 257331408 XSSYYFLCALVENM-HNNXBMFYSA-N 311.410 3.302 0 40 DGAB c1cncc(CN2CCC(Cc3cnc4[nH]ccc4c3)CC2)c1 257235448 GXWRMDXZEFLXGC-UHFFFAOYSA-N 306.413 3.413 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@H](Cc3ccn[nH]3)C2)cc1 257323837 WMANCZHUPGBMJU-OAHLLOKOSA-N 321.428 3.255 0 40 DGAB O=C1c2cccc3cccc(c23)N1Cc1nnc2n1CCCCC2 278594379 FLAAQQOVAKHMKH-UHFFFAOYSA-N 318.380 3.318 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)NCc2sc(C)nc2C)cc1 86071785 LAKJQUYXPFKZRS-CMDGGOBGSA-N 322.455 3.159 0 40 DGAB Cc1nn(CCNC(=O)[C@H]2CC=CCC2)c(C)c1-c1ccco1 575606926 PKUYDXOXOALCDS-HNNXBMFYSA-N 313.401 3.232 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@H]2CCCC[C@H]21 46486214 NNGCHLICYWRWNL-MSOLQXFVSA-N 312.413 3.271 0 40 DGAB CCc1ccc(C(=O)NCc2nc(C)c3ccccc3n2)cc1 58323541 WSUCEIFTJTWIBA-UHFFFAOYSA-N 305.381 3.431 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)Cc2ncc[nH]2)cc1 1540520005 BKSMULCUJGMUEC-MRXNPFEDSA-N 313.401 3.105 0 40 DGAB CCCCN1CCCSCCSCCCN(C)CC1 68604417 CUQMBFMMYJWDCS-UHFFFAOYSA-N 304.569 3.281 0 40 DGAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csnn1 69658435 QPYUCMVNORAPPQ-UKRRQHHQSA-N 301.415 3.337 0 40 DGAB CCOC(=O)c1c(CC)nc2c(C)cc(Br)cn12 1911936413 FCPUZHBYLUQVKZ-UHFFFAOYSA-N 311.179 3.144 0 40 DGAB CCN1CC[C@H](CNCc2csc(-c3ccsc3)n2)C1 84780035 UXYJHBQZGOYZRX-GFCCVEGCSA-N 307.488 3.303 0 40 DGAB Cc1nc(CN2CC[C@H](Cc3ccccc3F)[C@@H](O)C2)cs1 1615086511 KYWNLNGSKPWCQE-PBHICJAKSA-N 320.433 3.016 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 5973668 ROYAYUGRYGJSTN-WCFLWFBJSA-N 309.431 3.297 0 40 DGAB C[C@H]1CN(C(=O)CCC(=O)c2ccc3ccccc3c2)CCO1 14122690 ZFAJDVUJQRWYRR-AWEZNQCLSA-N 311.381 3.050 0 40 DGAB S=C(Nc1ccc2c(c1)OCCO2)NC1CCCCCC1 17450122 BXCKKUODKWRNNO-UHFFFAOYSA-N 306.431 3.467 0 40 DGAB Cc1ccc(S(=O)(=O)n2ccc3ccc(Cl)nc32)cc1 169748454 GPVHVKNIMBHRMH-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB Cc1nc(N2CCC[C@H](O)C2)c2c3c(sc2n1)C[C@@H](C)CC3 3377196 IMTFJDJCPIZHNX-JQWIXIFHSA-N 317.458 3.086 0 40 DGAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccccc3)C2)n1 1848356835 YEOJOJSBDDXDLV-INIZCTEOSA-N 309.413 3.086 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1cccnc1N(C)C 31663986 FZHPLQULHHDTQQ-UHFFFAOYSA-N 305.765 3.062 0 40 DGAB COc1ccc(-c2nnc3ccc(SC(C)C)nn23)cc1 4164889 UACPEMFLYHONQR-UHFFFAOYSA-N 300.387 3.300 0 40 DGAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 10328146 TWZLGCXKBMMSNS-MRXNPFEDSA-N 302.805 3.373 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)c3cc(C)cc(C)c3)ccc21 17288871 DGGOOYDMWVGODQ-UHFFFAOYSA-N 308.381 3.465 0 40 DGAB c1ccc(CN2C[C@H]3CN(c4nc5ccccc5o4)C[C@@H]3C2)cc1 1775973884 JBRDSLMJLPORQJ-IRXDYDNUSA-N 319.408 3.396 0 40 DGAB CCC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 2086860235 GJAMSNIPONUFBO-UHFFFAOYSA-N 303.793 3.399 0 40 DGAB Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)c(C)c1 130732 VSISDVCZADFXEM-UHFFFAOYSA-N 311.381 3.418 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@@](C)(C(C)=O)[C@@H]1C(=O)O 1644682 HBOIWINCXVOSNS-HKUYNNGSSA-N 314.381 3.485 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)Nc1ncccc1C 6969423 DTVZEXBTZXTEJM-UHFFFAOYSA-N 315.398 3.079 0 40 DGAB COc1cc(CNC(=O)C[C@@H]2C=CCC2)ccc1OC(F)F 8127827 WGCZIIKVXYICQF-LLVKDONJSA-N 311.328 3.269 0 40 DGAB C[C@H](CN1CCCC1)OC(=O)c1ccccc1Br 210676 ZBHILYLZZIRLAD-LLVKDONJSA-N 312.207 3.090 0 40 DGAB Cc1cccc(N2CCN(Cc3ccc(O)c(O)c3)CC2)c1C 6422365 UKZVAGVGHSBWGT-UHFFFAOYSA-N 312.413 3.037 0 40 DGAB Cc1ccc(COc2ccc(Cl)cc2CNCCO)cc1 20875086 BVKXDVBTAZEKBY-UHFFFAOYSA-N 305.805 3.309 0 40 DGAB CCCN(CCC)S(=O)(=O)c1cnc(Cl)c(Cl)c1 347143 YNFQXEUKEPWBPU-UHFFFAOYSA-N 311.234 3.199 0 40 DGAB O=c1oc2ccccc2n1CN1CC=C(c2ccccc2)CC1 2624110 FCWIDICHYCPPKP-UHFFFAOYSA-N 306.365 3.341 0 40 DGAB O=C(Nc1ccc(C(=O)Nc2ccccc2F)cc1)NC1CC1 32645799 ZJPLNZGBNWTXNW-UHFFFAOYSA-N 313.332 3.362 0 40 DGAB COc1ccccc1NC(=O)N[C@H](CN(C)C)c1ccccc1 21835694 HZSVIMPHWUINRK-MRXNPFEDSA-N 313.401 3.120 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2scnc2C)cc1 46763052 AIXCPQUCXDASRX-CQSZACIVSA-N 302.399 3.437 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(O)c(C(=O)O)c1 20457317 UYIQVBXGQPEJPN-FPYGCLRLSA-N 317.728 3.396 0 40 DGAB CCN(CC)CCN[C@@H](c1ccccc1)[C@@H](O)c1ccccc1 22794978 ZMCDSBQGSSIJLF-PMACEKPBSA-N 312.457 3.393 0 40 DGAB CC(C)=C1[C@H]2C=C[C@H]1[C@H](C(=O)Nc1ccc(F)cc1)[C@H]2C(=O)O 102989171 SPWPRUGYWKGYQV-VDERGJSUSA-N 315.344 3.233 0 40 DGAB CC(C)[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 23674213 JEUOPDBTRRFNQA-SFHVURJKSA-N 307.397 3.410 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CC[C@@H]1CCCO1 56174875 XCZWTEFSFYKWDL-ZDUSSCGKSA-N 318.417 3.113 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)c1ccc(Br)cc1 10798189 JWQRYMGASOTZLD-SAPNQHFASA-N 319.202 3.248 0 40 DGAB CS[C@@H]1CCCCN([C@H](C)C(=O)NCC2CCCCC2)C1 107367205 CXZJCADNECNSQN-GDBMZVCRSA-N 312.523 3.289 0 40 DGAB O=C(Nc1cccc(NC(=S)NC2CC2)c1)c1cccs1 44103336 RLMDUAHMUHDUGL-UHFFFAOYSA-N 317.439 3.449 0 40 DGAB CC(C)Oc1cccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1 20141605 LGGDMHYWSNXNFE-UHFFFAOYSA-N 315.325 3.130 0 40 DGAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@@H]2C[C@@H]2C)c1 44673385 FCUYQQPIWXRKSQ-BLLLJJGKSA-N 310.349 3.488 0 40 DGAB CC(C)c1ccccc1NC(=O)CSc1cccc[n+]1[O-] 3222908 BDLZOVWYBCNDFU-UHFFFAOYSA-N 302.399 3.174 0 40 DGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C1CC1)[C@H](C)C(C)C 86424549 JBQOEQMMZUBZFL-GXTWGEPZSA-N 320.481 3.186 0 40 DGAB O=C(CSc1nccn1C1CC1)N1CCCc2ccccc21 12646714 NQMLHWRDCVIJNV-UHFFFAOYSA-N 313.426 3.290 0 40 DGAB Brc1cnn(Cc2cc(-c3cccs3)on2)c1 58363422 QXYAUKDVBOMYFL-UHFFFAOYSA-N 310.176 3.410 0 40 DGAB CCn1cc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)cn1 58423663 PSPMJUIDVFQDLL-INIZCTEOSA-N 316.380 3.281 0 40 DGAB Cc1sc2ncnc(NC[C@H](C)Cn3cccn3)c2c1C 58412626 GACUWHFXBYRCDH-JTQLQIEISA-N 301.419 3.253 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1C 3319268 RZIKDUIJMCGJAL-OAHLLOKOSA-N 323.392 3.438 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@H]1C(=O)O 2391713 RJSXGIUXOYNBAE-KBPBESRZSA-N 305.374 3.254 0 40 DGAB COc1ccc(OC)c(C(=O)OCc2nc3ccccc3o2)c1 12768095 DOWNXIXQRAKSKP-UHFFFAOYSA-N 313.309 3.202 0 40 DGAB C[C@H](c1ccccc1Cl)N1CCN(c2ncccn2)CC1 48340677 CMLWZROLVRZVTN-CYBMUJFWSA-N 302.809 3.013 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc(C)s2)cc1OC 3429389 GHLDCDBKQTUELJ-UHFFFAOYSA-N 305.399 3.346 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710365 ZJRBQQGGZIUXOW-SLTXQBBLSA-N 322.493 3.402 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccoc2)cc1OC 12911402 UKVLWXAYXCPAJA-AWEZNQCLSA-N 301.342 3.274 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccnn1Cc1ccccc1 13009686 PWYLBNOOVSTUFG-UHFFFAOYSA-N 324.384 3.108 0 40 DGAB CCc1ccc(-c2[nH]c(=O)cc3c2[C@H](SC)N(C)C3=O)cc1 62716504 WJIKCSOAWVQNCQ-KRWDZBQOSA-N 314.410 3.052 0 40 DGAB CC[C@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 69446557 NOMDNEVFDBEACD-AWEZNQCLSA-N 310.397 3.226 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 65479377 XOCWIGFYSUMRBT-NWDGAFQWSA-N 318.442 3.382 0 40 DGAB COc1ccc(CN(C)Cc2nc(O)c3sccc3n2)cc1 14018335 VKHMMWSTMDOBAE-UHFFFAOYSA-N 315.398 3.038 0 40 DGAB COc1ccc(CC(=O)NCc2ccccc2OC(F)F)cc1 14127249 OQQQPRFBQOXKBZ-UHFFFAOYSA-N 321.323 3.156 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2F)c1 14120446 JAOIHZCEXOQAFS-ZHACJKMWSA-N 312.344 3.227 0 40 DGAB CCOc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 6550728 MPGBEYIDXUPECE-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1 5531043 SHZNEMXSVURLQP-GFCCVEGCSA-N 308.337 3.352 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@H](N2CCCC2)C1 66159630 RNBOOECQCVLRET-HNNXBMFYSA-N 317.433 3.176 0 40 DGAB CC(C)c1nnc(CN2CCO[C@@H](c3ccccc3Cl)C2)o1 69918307 JPRQMMGRZGATHT-CQSZACIVSA-N 321.808 3.420 0 40 DGAB COc1ccc(-c2cc(C(=O)NCc3cccs3)n[nH]2)cc1 6736828 XJHAVNATVDKREF-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB O=C(N[C@@H]1C[C@H]1C1CCCCC1)c1ccccc1Cn1cncn1 89814053 VKCPQXFHRDZJQD-ZWKOTPCHSA-N 324.428 3.025 0 40 DGAB C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CO 89852875 IQSYWFOIOSZRLC-ZWNOBZJWSA-N 316.323 3.330 0 40 DGAB Brc1cncnc1N[C@H]1CCOc2ccccc21 90781114 WHWDFPGTUBZOSQ-NSHDSACASA-N 306.163 3.175 0 40 DGAB CCN(CC)C(=O)[C@@H](SCCCN(C)C)c1ccccc1 96010335 VGQZEETUWUCKKN-INIZCTEOSA-N 308.491 3.281 0 40 DGAB Cc1ccc(-c2nc(C(=O)NC[C@H]3CCCO3)cs2)cc1 9366233 HAJXXBHIKNJGLV-CYBMUJFWSA-N 302.399 3.027 0 40 DGAB COc1ccccc1CN(C)C(=O)c1[nH]c(C)c(C(C)=O)c1C 9459032 MKEWFQSPNMGDQG-UHFFFAOYSA-N 314.385 3.115 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C)c(C)cc1C 89948811 ANJFSDCCNSLWOK-IEBWSBKVSA-N 302.462 3.348 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 71870833 MLKCDPCOZWEVNA-SJLPKXTDSA-N 323.440 3.339 0 40 DGAB Cc1nc(C)c(CCNC(=O)CCC(=O)c2cccs2)s1 71888373 OEFZFLSNSHBIEK-UHFFFAOYSA-N 322.455 3.143 0 40 DGAB COC[C@@H](NC(=O)C1CCC1)c1cccc(C(F)(F)F)c1 71911036 ZMDMQWUSIYMGRS-CYBMUJFWSA-N 301.308 3.309 0 40 DGAB CCOc1ncccc1CNCc1cnc(C)n1-c1ccccc1 84014428 YLJXDXFSVNBUMR-UHFFFAOYSA-N 322.412 3.264 0 40 DGAB C[C@@H]1C[C@H](OC(=O)C2c3ccccc3Oc3ccccc32)C(=O)O1 72274603 LBZDDBAUOMWBSB-BZNIZROVSA-N 324.332 3.171 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)Nc2cccc(C)n2)o1 97099954 CYDFDLURBBXZSK-CQSZACIVSA-N 315.373 3.151 0 40 DGAB CC[C@@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)c1ccc(C)cc1 97114134 JUVFYYXJNMANRS-OLZOCXBDSA-N 318.339 3.011 0 40 DGAB O=C(CCCc1cc(Cl)sc1Cl)N1CCC(O)CC1 84334982 VBWLVTUZHGDVFI-UHFFFAOYSA-N 322.257 3.361 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)NCCC[C@H]1CCCCO1 97376695 SCENXJUGFPZAGB-BXUZGUMPSA-N 309.410 3.001 0 40 DGAB COc1ccc(C(=O)C2CCN(c3ncccc3F)CC2)cc1 84483334 XVWPTFDDIUWDOF-UHFFFAOYSA-N 314.360 3.329 0 40 DGAB Cc1cnc(NC(=O)CC[C@@H]2CCCO2)c(Br)c1 95436716 MNNKXFGMXWZUMG-JTQLQIEISA-N 313.195 3.050 0 40 DGAB CC[C@@H]1CC[C@H](C)N1C(=O)Nc1cc(C(=O)NC)ccc1C 95459118 BEGGGNKSJYVGQW-GXTWGEPZSA-N 303.406 3.149 0 40 DGAB O=C(NCc1ccco1)NCc1nc(C2CCCCCC2)no1 95431475 HLFCAOCRWVDXCA-UHFFFAOYSA-N 318.377 3.100 0 40 DGAB Cc1cnc(CSc2nnc3ccc(C(F)(F)F)cn23)o1 95401579 IJZOTLJRZXVYDJ-UHFFFAOYSA-N 314.292 3.337 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@@H]2CCc3ccccc32)c1 95422664 QBKSLCXODDZQMT-MOPGFXCFSA-N 313.397 3.014 0 40 DGAB O=C(Cc1ccon1)Nc1nc2ccccc2n1C1CCCC1 73934490 VANFDYUTWPRMHV-UHFFFAOYSA-N 310.357 3.321 0 40 DGAB CCCc1sc(C(=O)N[C@@H]2CCC3(C2)OCCO3)cc1CC 95991391 QAYLSBUPMRRMNJ-CYBMUJFWSA-N 323.458 3.288 0 40 DGAB C[C@@H](O)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 95979948 UIUWLKNMIYNTRT-LLVKDONJSA-N 304.777 3.271 0 40 DGAB Cc1nc(NC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)sc1C 89522687 LFQQOYYGJQFIAO-GFCCVEGCSA-N 319.434 3.469 0 40 DGAB COc1cc(Br)cc(C)c1NC(=O)c1ccc[nH]1 89587271 RTYWUNAAHVUTTC-UHFFFAOYSA-N 309.163 3.347 0 40 DGAB O=C(NCCCCn1ccnc1)N1CCC[C@@]2(CC=CCC2)C1 79349357 ADWFWPIIRBUMNC-SFHVURJKSA-N 316.449 3.195 0 40 DGAB CN(Cc1cccnc1)Cc1cnn(Cc2ccc(F)cc2)c1 188309530 UEBMCLDRNMIECS-UHFFFAOYSA-N 310.376 3.098 0 40 DGAB Cc1cc(-c2nnc(CN3CC[C@@H](c4cccnc4)C3)o2)c(C)o1 564920200 UGNMNISXSPWERV-OAHLLOKOSA-N 324.384 3.331 0 40 DGAB Cc1ccc(-c2sc(-c3nc(C(N)=O)c(N)o3)cc2C)cc1 36615164 VTKJQSHNENGKTA-UHFFFAOYSA-N 313.382 3.368 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2cccc(C)c2)cc1 72331120 URYURDSBGCPCKG-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc(N2CCCC2)nn1 75172555 OWOMIMZVYPGANH-UHFFFAOYSA-N 316.792 3.291 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)(C)C 222861889 RMJKIZHQVAHOGX-GFCCVEGCSA-N 324.852 3.382 0 40 DGAB COc1ccc(NC(=S)NC2(c3ccco3)CCCC2)cn1 225875046 WLAXIDIIFOVBRI-UHFFFAOYSA-N 317.414 3.439 0 40 DGAB c1ccc([C@H]2N(c3nccn4nnnc34)CC23CCCCC3)cc1 575662486 ZMUFHKMMEDXTSR-OAHLLOKOSA-N 320.400 3.031 0 40 DGAB COC(=O)[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 195563490 YDSJINXLCLHIIK-CQSZACIVSA-N 305.353 3.103 0 40 DGAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccncc1 96417242 SQDAQJAMNCSNKS-AWEZNQCLSA-N 315.348 3.064 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccco2)C[C@@H]1Cc1cccc(C)c1 96110523 VKSJTQZQIZABHA-IRXDYDNUSA-N 313.397 3.308 0 40 DGAB Cc1cccc(C)c1NC(=O)NCCCO[C@H]1CCCCO1 583651894 VJUJFUPKDKSNLM-HNNXBMFYSA-N 306.406 3.358 0 40 DGAB CC1CCN(C(=O)[C@@H](C)[S@](=O)C/C=C/c2ccccc2)CC1 96448049 GKINFMRUDGXNOL-HUOBKULFSA-N 319.470 3.096 0 40 DGAB COc1ccc(NC(=O)N[C@@H](c2nc(C)cs2)C2CC2)cn1 96434014 JOAJYOXBLJGEKE-CYBMUJFWSA-N 318.402 3.128 0 40 DGAB Cc1csc(Cl)c1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 585114368 RSQZFDJBFACTRM-ZJUUUORDSA-N 303.811 3.233 0 40 DGAB CN1[C@@H]2CN(C(=O)c3cc4ccccc4[nH]3)[C@@H]3CCC[C@H]1[C@]3(C)C2 257298327 RLFONUWYJHALKW-DEYWJSPQSA-N 323.440 3.255 0 40 DGAB CCCn1nccc1-c1cc(C2CCN(C(C)=O)CC2)ccn1 257324442 WORYPDFXQFVTJO-UHFFFAOYSA-N 312.417 3.081 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 257262625 LMDAQHSLUKOHEJ-AWEZNQCLSA-N 322.412 3.230 0 40 DGAB CC(C)(C)[C@@H](NC(=O)c1cccc(C(=O)O)c1)C(F)(F)F 535617396 QOBJDSNWLYDSSL-GFCCVEGCSA-N 303.280 3.092 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1ccc(-c2ccsc2)o1 575611068 UHQHFLRIESBHOE-UHFFFAOYSA-N 316.382 3.472 0 40 DGAB Cn1ccc(NC(=O)CCCCc2nc3ccccc3s2)n1 44873085 UBFNQFIXWJWVPN-UHFFFAOYSA-N 314.414 3.381 0 40 DGAB Cc1cc(C(=O)OCc2noc(C3CC3)n2)c(C)n1C1CC1 63920328 KAWSJUAALSEQQX-UHFFFAOYSA-N 301.346 3.057 0 40 DGAB CC(C)CCOc1ccc(NC(=O)Cc2cnn(C)c2)cc1 73377535 AEIOXKSCEPNHNC-UHFFFAOYSA-N 301.390 3.026 0 40 DGAB O=C(NCc1cccs1)c1ccc(-c2ccccc2)[nH]c1=O 75117439 QJISVNSMXWBSLC-UHFFFAOYSA-N 310.378 3.033 0 40 DGAB Cc1cnc(OC2CCN(C(=O)CCC3CCCC3)CC2)nc1 655259095 VINYMQSRDNORGS-UHFFFAOYSA-N 317.433 3.125 0 40 DGAB CC(C)[C@H](C(=O)O)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 97826606 LEEPCYDDRNDMJN-BIBXISHDSA-N 308.321 3.063 0 40 DGAB c1ccc2c(N3CCC(c4nnc(C5CC5)o4)CC3)ncnc2c1 1254077751 LDCLIZDEFULPHF-UHFFFAOYSA-N 321.384 3.274 0 40 DGAB COc1ccc(C2=N/C(=C/c3ccccc3)C(=O)O2)cc1OC 6170735 ZPUZMIHKHLTXDY-GXDHUFHOSA-N 309.321 3.048 0 40 DGAB CC(C)C(=O)OCC(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 5713360 XQOYNZFYXQHCIL-VIFPVBQESA-N 318.200 3.370 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1OC 11636847 DQCBYWQBZRMBMS-INIZCTEOSA-N 315.369 3.500 0 40 DGAB CCn1c([C@@H](CC(C)C)NC(=O)C2CC2)nc2cccnc21 12114130 WCXWLXBIYYAOJB-CQSZACIVSA-N 300.406 3.065 0 40 DGAB CC(C)n1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)cn1 12220641 UKFIPWHZRCMBGN-INIZCTEOSA-N 323.400 3.318 0 40 DGAB C[C@H](O)[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 152939623 PVUVVQCAUNZKJA-IUCAKERBSA-N 321.726 3.202 0 40 DGAB CC(=O)c1cc(Br)cc(I)c1 2583726 ZTUMZGVEBVJSBY-UHFFFAOYSA-N 324.943 3.256 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(C)c(N2CCCC2=O)c1 5440708 CMGMDSMQLHWJIS-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB c1ccc(Nc2nc(NCc3ccco3)nc3nccnc23)cc1 9075188 OHQIGPIKLTUXKG-UHFFFAOYSA-N 318.340 3.369 0 40 DGAB CCOc1ccc(CNc2nccc(-n3nc(C)cc3C)n2)cc1 49411591 NJGNHMFUPMACSJ-UHFFFAOYSA-N 323.400 3.290 0 40 DGAB CSC[C@](C)(O)CNC(=O)c1ccc(-c2ccccc2)cc1 75157261 QYGRDIFSLLARMI-GOSISDBHSA-N 315.438 3.197 0 40 DGAB Cc1cc(O[C@H](C)C(=O)Nc2nncs2)ccc1C(C)C 40141677 IKKRAKWATXMGJS-LLVKDONJSA-N 305.403 3.376 0 40 DGAB O=C1CCCN1CCc1nc(-c2ccc(F)c(F)c2)cs1 30447719 QUQNHMBLERWLQG-UHFFFAOYSA-N 308.353 3.253 0 40 DGAB C[C@H]1CCCN(CCCCNC(=O)NCc2cccc(F)c2)C1 45593148 XGRHETVEGFJERI-HNNXBMFYSA-N 321.440 3.137 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1cccs1 7553244 XFAYCURSJBVIJG-GHNWPUKSSA-N 321.442 3.388 0 40 DGAB COc1ccc(-c2csc(NCCCN(C)C)n2)c(OC)c1 8327820 DBOMUKRYXOHZDG-UHFFFAOYSA-N 321.446 3.191 0 40 DGAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccc(F)cc1 8300485 QINJKSSZUSSPES-HEHGZKQESA-N 321.465 3.233 0 40 DGAB biogenic,in-vitro CCc1c(C(=O)NCc2sccc2C)[nH]c(C)c1C(C)=O 52536660 ICNSHFIXUCMXQM-UHFFFAOYSA-N 304.415 3.388 0 40 DGAB COc1cc(Cl)ccc1C(=O)N(C)CCc1ccccn1 67264114 QZGNVFLINNEJIX-UHFFFAOYSA-N 304.777 3.058 0 40 DGAB CC(C)Oc1ccccc1Nc1nnc(-c2ccccc2)c(=O)[nH]1 11905827 FZNRFPHRXLWMQJ-UHFFFAOYSA-N 322.368 3.363 0 40 DGAB COc1ccccc1C(=O)Nc1ccccc1-c1nc(C)no1 22459658 TZVXOGFLTNXRJK-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cn2ccsc2n1 75132456 NQUHHLBVDSGRRP-AWEZNQCLSA-N 315.446 3.083 0 40 DGAB Cc1ccc(C(=O)N(Cc2sccc2C)C(C)C)c(=O)[nH]1 75123041 NGKVFTMXPGRFJS-UHFFFAOYSA-N 304.415 3.104 0 40 DGAB Brc1cccc2c3c4n(c12)C[C@H]1CO[C@@]4(CCC3)O1 100758137 ZOWFPMLIIOJIMT-VFZGTOFNSA-N 320.186 3.322 0 40 DGAB biogenic CCOC(=O)c1ccc(NCCc2c[nH]c3ccccc23)nc1 24052794 JRQIMXFVFAJQFN-UHFFFAOYSA-N 309.369 3.394 0 40 DGAB c1ccc(CC[C@H]2CCCCN2c2ncnc3[nH]cnc23)cc1 89651349 LGDYSKDQABJTIP-OAHLLOKOSA-N 307.401 3.345 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@H]2C[C@@H](C)OC2=O)c1 54155808 JZCZBQAFZCJTNT-OCCSQVGLSA-N 302.399 3.285 0 40 DGAB COc1cccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1 101275895 YHDLSKWPOMTIPP-INIZCTEOSA-N 324.380 3.056 0 40 DGAB COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 106779248 RSAYYYLRMFCXQR-LSDHHAIUSA-N 322.836 3.047 0 40 DGAB O=c1cc(CNc2ccccc2F)nc2ccc(Cl)cn12 25598399 XWXCXTADUJDWPY-UHFFFAOYSA-N 303.724 3.099 0 40 DGAB C[C@@H](NC(=O)N1C[C@H]2CC[C@H]1C2)c1cccc(-n2cccn2)c1 107356919 OFJGCTDUGBKYHF-YCPHGPKFSA-N 310.401 3.127 0 40 DGAB COc1ccc(CCNC(=O)NCc2sccc2C)cc1 26177271 DVMRXFRPCTYILH-UHFFFAOYSA-N 304.415 3.107 0 40 DGAB O=C(O)c1cc(/C=C/c2csnn2)nc2cc(F)ccc12 44026683 JWHVZZFMLAUBFP-NSCUHMNNSA-N 301.302 3.094 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1 12553303 XKKZNDLNGISTSS-YJBOKZPZSA-N 324.380 3.138 0 40 DGAB CC(C)(C)c1ccc(S(=O)(=O)Oc2ccccc2O)cc1 2069669 CCPCYLUTSBAGCK-UHFFFAOYSA-N 306.383 3.457 0 40 DGAB Cc1ccccc1C[S@@](=O)CCC(=O)Nc1ccccc1 58098708 IFFDWJMQKUQLGU-OAQYLSRUSA-N 301.411 3.273 0 40 DGAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 58296412 HSQXVJOLVOWATQ-NEPJUHHUSA-N 324.350 3.294 0 40 DGAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1cccs1 3273842 JLRWCNFAWKEQMH-UHFFFAOYSA-N 320.341 3.276 0 40 DGAB CCC(CC)C(=O)NC[C@H](c1ccc(OC)cc1)N1CCCC1 27747126 CJNQDUUKUXFEEZ-GOSISDBHSA-N 318.461 3.385 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 58341122 UOFQPKYRNBDBBK-XHSDSOJGSA-N 305.418 3.146 0 40 DGAB CC(=O)N[C@@H](CC(=O)NCCC1=CCCCC1)c1ccccc1 58342140 FNKAFSOQGIXAKB-SFHVURJKSA-N 314.429 3.261 0 40 DGAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)CCS(C)(=O)=O 45007761 PYOFPCXVQADPLD-VIFPVBQESA-N 310.246 3.031 0 40 DGAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCNC1 62114783 YIEPBEJGEPRJJV-VHSXEESVSA-N 301.217 3.122 0 40 DGAB COc1ccccc1N1CC[C@H](CNC(=O)CCC(C)C)C1 58405955 NRRCOOHOZJPMER-OAHLLOKOSA-N 304.434 3.074 0 40 DGAB C[C@H](Sc1nnnn1C1CC1)c1nc2ccccc2s1 12783611 MSSQHRHIBOLPQS-QMMMGPOBSA-N 303.416 3.471 0 40 DGAB O=C(NCCc1ccc(OC(F)F)cc1)NC1CCCCC1 48343045 QWSYKLFXJXJGNB-UHFFFAOYSA-N 312.360 3.462 0 40 DGAB CC(C)(C)c1nc(I)cn1CC1CC1 953001131 FYMOBSZADNETFN-UHFFFAOYSA-N 304.175 3.195 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(C(N)=O)c2C)s1 69455448 OGILUGFTWKJCHN-OLZOCXBDSA-N 314.410 3.206 0 40 DGAB c1ccc([C@@H]2CO[C@H]3CC[C@@H](n4nnc5ccccc54)N32)cc1 63110716 WMDJEWDGKBLINT-KSZLIROESA-N 306.369 3.123 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccc3C)cc2c1 13751280 DFRUWXDFJVBVEZ-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB C[C@H](NC[C@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnccn1 90708718 WNVDXZJNJBPBAO-SOLBZPMBSA-N 310.445 3.038 0 40 DGAB c1ccc(C2(CNCc3c[nH]nc3-c3cccnc3)CC2)cc1 65463337 YHORWIPMKSRQAM-UHFFFAOYSA-N 304.397 3.293 0 40 DGAB CCCc1noc(CCCC(=O)Nc2ccc(SC)nc2)n1 69510495 RAJKRTVGXZEETK-UHFFFAOYSA-N 320.418 3.100 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)c2cccc3c2OCCO3)c1 69581278 ALMCPWXFZVOYLD-GFCCVEGCSA-N 313.353 3.418 0 40 DGAB C[C@H](NCc1ccnc(-c2ccccc2)n1)[C@H](C)n1cccn1 69372208 RSDBWRFKXXCWMT-GJZGRUSLSA-N 307.401 3.079 0 40 DGAB Cc1ccc(NC(=O)NCCc2ccc3c(c2)OCCO3)cc1 18177710 PYISDTCVSUNITC-UHFFFAOYSA-N 312.369 3.130 0 40 DGAB Cc1ccc(C)c(SCC(=O)NC(=O)Cc2ccccc2)c1 8754133 IKRGVZITMLLNGE-UHFFFAOYSA-N 313.422 3.281 0 40 DGAB O=C(c1ncncc1Cl)N1CCCSc2ccccc21 89865593 FDJXCMXTRICGLX-UHFFFAOYSA-N 305.790 3.273 0 40 DGAB CCOC(=O)Cc1csc(S[C@H](C)c2ccncc2)n1 71910330 VZMJIQFFICAPJH-SNVBAGLBSA-N 308.428 3.497 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1ccc2c(c1)OCCCO2 71804302 NSQGJGQUQOVABQ-LBPRGKRZSA-N 317.410 3.270 0 40 DGAB C[C@H](CO)CS[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 72298275 PSXFEWAPLDIELS-NXEZZACHSA-N 321.364 3.394 0 40 DGAB CSc1nsc(SCC(=O)N[C@H]2CCCC[C@H]2C)n1 72333691 BNQLTUAAJNDASP-BDAKNGLRSA-N 317.505 3.047 0 40 DGAB CSC[C@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 72542531 LQCZXYLOGRVWBE-ZDUSSCGKSA-N 318.446 3.147 0 40 DGAB CCOCCC1(CNC(=O)c2ccc3cc[nH]c3c2)CCC1 95421472 OVVGLQYEXZOFBX-UHFFFAOYSA-N 300.402 3.495 0 40 DGAB c1cnc2c(CN[C@H]3CCO[C@@]4(CCSC4)C3)cccc2c1 95426000 MPVQXOWPHVXIMM-WMZOPIPTSA-N 314.454 3.379 0 40 DGAB COc1ccc(-c2n[nH]cc2C(=O)N2CCc3ccccc32)cc1 73342451 DNXBUIUQRQUTCK-UHFFFAOYSA-N 319.364 3.288 0 40 DGAB CC(C)n1cc(CCC(=O)NCCc2c[nH]cn2)c2ccccc21 79194653 XZEPFJBBQCNRMC-UHFFFAOYSA-N 324.428 3.237 0 40 DGAB biogenic Cc1nc2cc(C(=O)N(CCO)c3ccccc3)ccc2s1 408976384 FMOIHTSYQBGKJH-UHFFFAOYSA-N 312.394 3.244 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)N2C[C@@H](C)CC[C@@H]2C)cc1 74090200 HHMYHXDEQPRIIV-KBPBESRZSA-N 317.433 3.018 0 40 DGAB Cc1ccc(SCCNC(=O)N(C)C[C@H]2CCOC2)cc1C 95963992 BCOGWSANPXSFIC-OAHLLOKOSA-N 322.474 3.073 0 40 DGAB Cc1cccc(N(C)S(=O)(=O)c2cccc(Cl)c2C)n1 95945412 AKFUZJFTGDOROD-UHFFFAOYSA-N 310.806 3.177 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@H]2C[C@@H](O)c2ccco2)c1 95973186 PLOWNNUOBVLJHY-JKSUJKDBSA-N 316.401 3.127 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2ccc3c(c2)ncn3C)C1 89275153 BFNYOMHDAJHAMY-CQSZACIVSA-N 317.458 3.321 0 40 DGAB C[C@H](NC1CCSCC1)c1cnn(Cc2ccccc2)c1 89541674 DFBWFWLONIJJDV-AWEZNQCLSA-N 301.459 3.478 0 40 DGAB CC[C@@H](Cn1c(C2CCC2)nnc1N1CCCC2(CC2)C1)OC 1513470131 XPPZGCSELHSVMC-HNNXBMFYSA-N 318.465 3.351 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 72427496 OIKLFCVOSBYEAA-UHFFFAOYSA-N 309.325 3.043 0 40 DGAB O=C(CCc1ccccn1)Nc1cc(CCc2ccccc2)n[nH]1 77034413 ZQSVESGOAZYBQC-UHFFFAOYSA-N 320.396 3.161 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3C)C2)c1 39918124 HVXJYWQUDREWGR-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB CCO[C@H](C)c1nc(CN(C)[C@@H](C)c2nnc(C)o2)cs1 72762901 KLWVMAGYZYWLLU-VHSXEESVSA-N 310.423 3.125 0 40 DGAB O=C(NCC1CCCCC1)c1ccn(-c2ccc(F)cc2)n1 31589130 XWSMLBPBSMAQDR-UHFFFAOYSA-N 301.365 3.322 0 40 DGAB CCCN(C(=O)[C@@H](C)n1cncn1)c1cccc2ccccc12 79039956 AZRQLXMZKVKAHB-CQSZACIVSA-N 308.385 3.436 0 40 DGAB Cc1nc(C)c(CC(=O)N2CCCC[C@H]2c2n[nH]cc2C)s1 72386130 CMBGRQBDARDEGD-ZDUSSCGKSA-N 318.446 3.088 0 40 DGAB O=C(Cc1ccon1)N1CCCC[C@@H]1c1cc2ccccc2[nH]1 74357988 SOBLYISWDPGKJO-QGZVFWFLSA-N 309.369 3.452 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccc(F)cc1 33155294 UXHOXAXFOPXXBV-YVEFUNNKSA-N 312.344 3.196 0 40 DGAB O=C(Cn1ccc2c(Br)cccc21)N1CCCC1 40283338 MPNLJJONIDAUDR-UHFFFAOYSA-N 307.191 3.026 0 40 DGAB COc1ccc(-c2noc(-c3ccc(N)c(C)c3)n2)cc1OC 225171798 AZLKOEGIQMKPEP-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB COc1cnc(C(=O)Nc2ccc(Cl)cc2Cl)cc1O 49550521 ZXLQOVKVCNORPB-UHFFFAOYSA-N 313.140 3.355 0 40 DGAB C[C@H](c1ccccc1F)N(C(=O)CC1CCNCC1)C1CC1 225487647 ZVFKEOUWIZALOL-CYBMUJFWSA-N 304.409 3.267 0 40 DGAB c1ccc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 49169356 XQISFZYESBCHHD-INIZCTEOSA-N 306.369 3.121 0 40 DGAB biogenic,in-vitro CCc1nnc(CN[C@@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1 195570283 CSJHVPFVOKOSGG-CVEARBPZSA-N 315.417 3.420 0 40 DGAB COCc1nc(C(=O)Nc2nc(C(F)(F)F)cs2)cs1 49156505 UNJJAPZSVKGBPF-UHFFFAOYSA-N 323.321 3.017 0 40 DGAB Cc1ccccc1OCCNC(=O)CCCOc1ccccc1 224141921 DKSVIIFQJTZWGK-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CC(C)C(NC(=S)Nc1ccc(C(=O)N(C)C)cc1)C(C)C 225328597 UMVKHJXEVJCEMW-UHFFFAOYSA-N 321.490 3.355 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cnc(C(C)C)nc2C)c1 222572445 HTLOBLGJPVDUGY-UHFFFAOYSA-N 315.373 3.178 0 40 DGAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccnc3)N21 222649911 BILUQVGMINZHMV-CWRNSKLLSA-N 310.426 3.456 0 40 DGAB COc1cccc(NC(=O)N[C@H](C)COc2ccccc2)c1 48050511 HJVZUSNIVFXNJA-CYBMUJFWSA-N 300.358 3.284 0 40 DGAB CC(C)(C)c1cnc(CNc2ccc(Cl)c(C(N)=O)c2)o1 85271456 FMVQUNXSTIDMMY-UHFFFAOYSA-N 307.781 3.337 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCSC[C@@H]1c1ccc(C)o1 81345990 OUVULWHYQUDGSY-CQSZACIVSA-N 319.430 3.043 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1ccc([S@@](C)=O)c(F)c1 190017101 KSPBCGCTTMYCGA-JOCHJYFZSA-N 322.361 3.221 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(O[C@H]2CCOC2)cc1 96416773 RBSVWWKHCGCECN-SFHVURJKSA-N 311.381 3.344 0 40 DGAB C[C@@H](C(=O)O)[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97228693 BEJRTSVYAFTALM-PXAZEXFGSA-N 322.364 3.360 0 40 DGAB CC(F)(F)c1ccccc1NC(=O)N[C@@]12C[C@H]1COC2(C)C 529109962 IFLUQODDRJPHFM-QFYYESIMSA-N 310.344 3.487 0 40 DGAB Cc1ccc(C(=O)N2CC[C@@H](C)[C@H](C(=O)O)C2)c2ccccc12 1594345076 XSFPWABDRINEIR-CXAGYDPISA-N 311.381 3.331 0 40 DGAB O=C1C[C@@H]2[C@H](CCN2Cc2cccs2)N1c1ccsc1 96055725 TZISFZMYWHDBRZ-UONOGXRCSA-N 304.440 3.189 0 40 DGAB O=C(O)c1cn(-c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)cn1 96517370 VBDFKOJTNSOFHY-UHFFFAOYSA-N 324.315 3.044 0 40 DGAB Cc1nccc(NC(=O)N2CCC(c3ccccc3F)CC2)n1 583059793 BONTXASVUUNTTD-UHFFFAOYSA-N 314.364 3.336 0 40 DGAB Cc1ncc(-c2cncc(C3CCN(CC(C)C)CC3)n2)n1C 257264744 LVWOFDGVJMZWLY-UHFFFAOYSA-N 313.449 3.021 0 40 DGAB O=C(O)c1c(OCC2CC2)cnc2c(Br)cccc12 685937751 ZKIDWXCXDPRQLC-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB COc1ccc(C(=O)Nc2cnn(C)c2)cc1-c1ccccc1 50574242 IBDSKZLDRKGJJX-UHFFFAOYSA-N 307.353 3.348 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)[C@H]3CC=CCC3)CC2)o1 85470693 QBTIEJGUAJVJJQ-AWEZNQCLSA-N 303.406 3.255 0 40 DGAB COc1ccc(C)c(NC(=O)N(C)C[C@@H]2CCCC[C@H]2O)c1 97047313 NSNIJAGDSQBHFP-XJKSGUPXSA-N 306.406 3.018 0 40 DGAB O[C@]1(CNc2ncnc3ccc(F)cc23)CCc2ccccc21 92687999 HFJQDMLMFOMPCD-SFHVURJKSA-N 309.344 3.015 0 40 DGAB CC[C@@H](CSC)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1 95984821 DPIMELAQOPYPOU-LBPRGKRZSA-N 320.418 3.308 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@@]1(O)CCSC1 96479016 LEMPSHJCHZIEQG-BMIGLBTASA-N 314.520 3.268 0 40 DGAB COc1ccc(OC(=O)/C=C/c2cccc(OC)c2OC)cc1 3249048 JYVKVGPKORCNNY-KPKJPENVSA-N 314.337 3.331 0 40 DGAB COc1ccc(CN2CCC(n3cnc4cccnc43)CC2)cc1 12114636 ZNPNPMFJFVTQTA-UHFFFAOYSA-N 322.412 3.277 0 40 DGAB O=C1NC2(CCCCC2)NC1(c1ccccc1)c1ccccc1 16477879 LXYLHFWBAHBBEZ-UHFFFAOYSA-N 306.409 3.310 0 40 DGAB COc1ccccc1C(=O)Nc1cc(C)c2nc(N)sc2c1 226310715 KATAPYKRURMIAD-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB CC(C)(C)CC(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505477 REKNPKSWGGYSDW-UHFFFAOYSA-N 315.413 3.449 0 40 DGAB COc1ccc(CNCc2cccnc2)cc1OCC(C)C 32185528 RYNQLFPSYFYYLS-UHFFFAOYSA-N 300.402 3.415 0 40 DGAB COc1cccc(-c2nnc(NC(=O)c3ccccc3C)o2)c1 4329913 ZFQBCAQYBNWAIS-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccncc3)c2C)cc1 31025770 SWNFFNMFEKVEER-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1cc(NC(=O)c2ccc3[nH]nnc3c2)ccc1N1CCCC1 11324984 TYRSRGZXNWUMNX-UHFFFAOYSA-N 321.384 3.119 0 40 DGAB c1ccc2c(COc3ccc(-n4cnnn4)cc3)cccc2c1 2639329 XNDKLZPFVWFWQU-UHFFFAOYSA-N 302.337 3.395 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2CCCC[C@H]2C(=O)O)C1 101249964 FZSCVNIWMJTNQQ-UYAYXHRUSA-N 307.434 3.305 0 40 DGAB CCOC(=O)[C@@H](CC)Oc1cc2c(C)cc(=O)oc2cc1C 6555286 OMSORFDZKSEKLH-CYBMUJFWSA-N 304.342 3.130 0 40 DGAB COC(=O)c1ccc(-c2ccc(CNCc3ccncc3)o2)cc1 7274626 PYEKXEHVSNFEDF-UHFFFAOYSA-N 322.364 3.418 0 40 DGAB Cc1noc(C)c1CN1CCC[C@H]1c1ccc2c(c1)OCCO2 20947708 DAZDAPDMEZNTBY-INIZCTEOSA-N 314.385 3.400 0 40 DGAB Cc1cc(C)nc(NC(=O)c2ccccc2Br)n1 379005 WFSBNZMEMKTULX-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CC(C)OCCCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 32795190 XGYOMOPPNRVMJI-NSHDSACASA-N 300.349 3.140 0 40 DGAB CCCCN(C[C@H](O)COCc1ccccc1OC)[C@H](C)CC 102398329 UPRFOWFFAUFBCI-AEFFLSMTSA-N 323.477 3.473 0 40 DGAB CC(=O)Oc1ccc2c(=O)c(-c3nc(C)cs3)c(C)oc2c1 496118 FFHWFCKLXCEKSW-UHFFFAOYSA-N 315.350 3.459 0 40 DGAB biogenic Oc1ccccc1C(=S)N1CCN(c2ccccc2F)CC1 530097 DNNJFUQRWZCEQW-UHFFFAOYSA-N 316.401 3.029 0 40 DGAB CCOCCCNC(=O)N(C)[C@@H](C)c1nc2ccccc2s1 53956950 JHGSFKSJNCTCCK-LBPRGKRZSA-N 321.446 3.425 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3nccs3)cc2)n1 27970481 APIQXKOEIQKBFO-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB CCCN1CCN(c2nc(C)nc3sc4c(c23)CCC4)CC1 8063299 WZRUOWJTEOXJHX-UHFFFAOYSA-N 316.474 3.020 0 40 DGAB C[C@@H]1CN(C(=O)c2c3c(nc4ccccc24)CCCC3)C[C@@H](C)O1 8852497 OLOIHONIOQSBRJ-ZIAGYGMSSA-N 324.424 3.363 0 40 DGAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)CC(C)C 20136840 MCCACXIERVFSRN-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB CCn1cc(NC(=O)Cc2cccc(C(F)(F)F)c2)ccc1=O 47181437 DGWRPJZLMMXZDU-UHFFFAOYSA-N 324.302 3.068 0 40 DGAB CCCN(CCc1ccccn1)C(=O)Cc1csc(CC)n1 61434293 PPOWNFVTRULBEE-UHFFFAOYSA-N 317.458 3.124 0 40 DGAB C[C@@H](NC(=O)NCCc1ccc(Cl)s1)c1ccccn1 43181127 SXJXQUVWYTWGTL-SNVBAGLBSA-N 309.822 3.399 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)Nc1nccs1 43160613 ZWIKAGQWKGCOQM-UHFFFAOYSA-N 316.430 3.061 0 40 DGAB COC(=O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 12417579 IOQFFVWYRWJEKD-CQSZACIVSA-N 324.332 3.194 0 40 DGAB biogenic,in-vitro CC[C@H]1CCc2sc(C(=O)NC3CCN(CC)CC3)cc2C1 16605329 JJSWCYYRVPCFAF-ZDUSSCGKSA-N 320.502 3.477 0 40 DGAB C[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)N(C)Cc1ccco1 24972911 FWLWQXPGHRSKJB-OLZOCXBDSA-N 304.365 3.116 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)c1cnc2onc(C)c2c1 43481981 HRGYKVMPILPRRA-UHFFFAOYSA-N 323.352 3.133 0 40 DGAB COc1ccc(OC)c(COC(=O)c2ccc(C(C)=O)s2)c1 25268545 JJPOSXGHSCSQSK-UHFFFAOYSA-N 320.366 3.325 0 40 DGAB O=C(CC1(C(=O)O)CCCCC1)N1CCc2sccc2C1 35280568 PRXYGOWZNIBNCJ-UHFFFAOYSA-N 307.415 3.058 0 40 DGAB in-vitro CC(C)N1C[C@H](c2ccc(Cl)cc2)C2(CCNCC2)C1=O 44137452 RMDRSDKIKWMYHS-OAHLLOKOSA-N 306.837 3.044 0 40 DGAB COC(=O)Nc1cccc(NC(=O)NCc2ccc(C)cc2)c1 47710864 OJYZUANLIVTCNS-UHFFFAOYSA-N 313.357 3.495 0 40 DGAB C[C@H](CC(=O)Nc1ccc(OCC(=O)O)cc1)c1ccccc1 20096639 KDOXGSOWVZEHFW-CYBMUJFWSA-N 313.353 3.282 0 40 DGAB CCC(=O)CSc1cc(C(=O)NC2CC2)c2ccccc2n1 58289901 NGLHGSGXZSVBEJ-UHFFFAOYSA-N 314.410 3.198 0 40 DGAB CSCc1cccc(C(=O)N(C[C@H]2CCOC2)C2CC2)c1 44941262 ZQHZRMQJORWJOQ-CQSZACIVSA-N 305.443 3.191 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N(C[C@@H]1CCOC1)C1CC1 44941391 XXPYALKTHOHCFC-NSHDSACASA-N 318.398 3.044 0 40 DGAB C[C@H](NC(=O)NCCCn1cccn1)c1ccc(Cl)s1 44954178 IZPSXFOEKKONTA-JTQLQIEISA-N 312.826 3.049 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2ccsc2)on1 44970246 DFDDKLWPBIMOHR-ZDUSSCGKSA-N 305.403 3.134 0 40 DGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)cc1 3336864 HAHWFNCFYDFEAM-TVQRCGJNSA-N 315.398 3.363 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c(C)c1 3424848 NXDITMUYHPPHFO-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 3558512 JSTKPOAQYCMKMX-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB COc1ccc(OCCCC(=O)Nc2nc(C)cs2)cc1 3561978 HXYOWDXWKXXIJU-UHFFFAOYSA-N 306.387 3.258 0 40 DGAB c1csc(-c2nnc(SCc3nnc(C4CC4)o3)o2)c1 48987781 VPHGDSKDCQQSHM-UHFFFAOYSA-N 306.372 3.351 0 40 DGAB O=C(O)c1cc(Cl)cc(Cl)c1I 3886214 DJTJHMZDOREVFA-UHFFFAOYSA-N 316.909 3.296 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccsc1 8349910 SCRWYWCTTXZNFQ-LBPRGKRZSA-N 312.398 3.162 0 40 DGAB CN(C(=O)c1ccccn1)[C@H](c1cccc(F)c1)c1ccccn1 69528479 UIWJOPJSLDACQK-GOSISDBHSA-N 321.355 3.477 0 40 DGAB Cc1n[nH]c(NC(=O)Cc2nc(-c3ccsc3)oc2C)c1C 69513427 XEYNMOBIHIEUSI-UHFFFAOYSA-N 316.386 3.233 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)cc1 6204800 ZYVFGHHLUBWCPZ-CQSZACIVSA-N 300.402 3.115 0 40 DGAB O=C1C[C@@H](c2noc(Cc3ccccc3)n2)CN1c1ccccc1 65259453 TYKOFZXMISIGTD-OAHLLOKOSA-N 319.364 3.181 0 40 DGAB CN(C)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 65529508 STIHGHRKJICCKQ-UHFFFAOYSA-N 306.793 3.252 0 40 DGAB Cc1nc(NC(=O)[C@@H](c2ccccc2)n2cccn2)sc1C 69776883 GJNRZFGKYVHHPO-CQSZACIVSA-N 312.398 3.185 0 40 DGAB CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccccc1 5554665 QYLRXQUAXKMXQT-HNNXBMFYSA-N 309.296 3.107 0 40 DGAB O=C(CSc1nnc(-c2ccccc2F)o1)c1ccc[nH]1 4987180 GDATVTUNTOQCKE-UHFFFAOYSA-N 303.318 3.179 0 40 DGAB CCn1nc(C)c(CNC(=O)Nc2ccc(OC)c(C)c2)c1C 67280328 LUNIMFXMWYASDL-UHFFFAOYSA-N 316.405 3.159 0 40 DGAB O=C(OCc1cc(F)cc2c1OCOC2)c1cc(Cl)c[nH]1 8752351 GTBLUAGRUKRZAX-UHFFFAOYSA-N 311.696 3.031 0 40 DGAB CC(C)[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 15549947 SOILOFKVPKDXSH-LJQANCHMSA-N 307.397 3.181 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccc(F)cc2)C1 67802629 PEYGKVHAIBEIBV-OAHLLOKOSA-N 308.397 3.315 0 40 DGAB C[C@@](CC(=O)Nc1c(F)cccc1F)(C(=O)O)c1ccccc1 8987302 HCHDGPZSGVEZIM-KRWDZBQOSA-N 319.307 3.336 0 40 DGAB CCOc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1O 9339272 DCYWFVAVBMEFAM-OAHLLOKOSA-N 318.760 3.298 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2)C1 72019192 LTRGJYQXCYMQIU-HZPDHXFCSA-N 317.477 3.242 0 40 DGAB O=C(Nc1ccccc1O)c1ccc(NC(=O)c2ccco2)cc1 9502862 KSCXQROUQREXLU-UHFFFAOYSA-N 322.320 3.490 0 40 DGAB CC(C)(C)[S@](=O)CCNCc1ccccc1Br 72286941 FPKQPYYTAJDYJY-KRWDZBQOSA-N 318.280 3.086 0 40 DGAB Cc1ccc(CN[C@H](CS(C)(=O)=O)c2ccccc2)cc1F 97143329 DJNGDDOZQGABMV-QGZVFWFLSA-N 321.417 3.010 0 40 DGAB CC(C)(C)SCCNC(=O)N1CCCC[C@H]1c1cn[nH]c1 97234321 FSTTZGUHICUECG-ZDUSSCGKSA-N 310.467 3.178 0 40 DGAB CN(Cc1nc2ccccc2n(C)c1=O)[C@@H]1CCc2ccccc21 97201330 XEVYMMFYUXTREM-GOSISDBHSA-N 319.408 3.053 0 40 DGAB Cc1cc2occ(CC(=O)N[C@H](CC(C)C)C(=O)O)c2cc1C 72427684 NGLAOHSVBXSGGJ-OAHLLOKOSA-N 317.385 3.208 0 40 DGAB COc1ccc(NC(=O)C[C@@H](C)NCc2ccsc2)cc1 95420301 GARNRVZCJTVCFX-GFCCVEGCSA-N 304.415 3.264 0 40 DGAB O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NC1CCOCC1 95422239 VVZXSJFBNLFVNB-IBGZPJMESA-N 324.424 3.005 0 40 DGAB C[C@H]1CCC[C@@H](C)CN1Cc1cc(=O)n2cc(Cl)ccc2n1 95961369 QOFVXUYZARLGQV-OLZOCXBDSA-N 319.836 3.358 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C)nc1 95963414 KJFZHYJSYWPVSM-AWEZNQCLSA-N 317.364 3.083 0 40 DGAB CC(C)n1cc([C@H](C)NC[C@@]2(O)CCCc3ccccc32)cn1 95967854 XTXPPEICVCQWLD-KXBFYZLASA-N 313.445 3.339 0 40 DGAB O=C(COC(=O)c1cccs1)N[C@@H](c1ccccc1)C1CC1 22736901 DKGJXYQEECBVRA-INIZCTEOSA-N 315.394 3.172 0 40 DGAB CC1=NC[C@H](C)NC(C)(C)CC(C)=N[C@@H](C)CNC(C)(C)C1 1547138099 VPWMRWNDCNUCTC-HOTGVXAUSA-N 308.514 3.215 0 40 DGAB biogenic COc1cccc(S(=O)(=O)Nc2ccccc2SC)c1 39975118 VCBMIFXOTLVPFA-UHFFFAOYSA-N 309.412 3.218 0 40 DGAB CCN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409235493 BQUMUFAQEGECRZ-RVDMUPIBSA-N 309.369 3.007 0 40 DGAB c1ccc2c(c1)N[C@@H](c1cccc3nccnc13)N1CCCN=C21 72342094 UVJMOGOPNYDKGM-LJQANCHMSA-N 315.380 3.206 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)nc(C)n2C 74957485 DKWHUVLZZXCECS-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB O=C(NCCc1ccccc1)c1ccc(Nc2ncccn2)cc1 79188374 RMPMBGBSWMTJOD-UHFFFAOYSA-N 318.380 3.193 0 40 DGAB biogenic O=C1CCCc2nc(NC(=O)c3cccc4ncccc34)sc21 35315489 SAZZUSDQSDMBSB-UHFFFAOYSA-N 323.377 3.463 0 40 DGAB COc1cccc2c(N3CCC(c4nc(C)no4)CC3)nccc12 564408948 MASNFPPLSYQBNM-UHFFFAOYSA-N 324.384 3.319 0 40 DGAB Cc1ccc2oc(=O)c(C(=O)NCCc3ccccc3)cc2c1 40431329 AOIFLQZKMIKPNH-UHFFFAOYSA-N 307.349 3.074 0 40 DGAB C[C@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@@H]1CO 189746684 BCDPBDXZBRHBHR-SUMWQHHRSA-N 318.417 3.243 0 40 DGAB Cc1ccccc1NC(=O)Cn1ccc(=O)c2cc(F)ccc21 225749070 YRPDVBHQFYQVFS-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB CCS[C@@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1 132591508 ANZXKBPIQBPETR-QWRGUYRKSA-N 313.467 3.319 0 40 DGAB O=S(=O)(NCc1ccc2ccccc2c1)c1cccs1 49282234 MUTRENVCNFDYAQ-UHFFFAOYSA-N 303.408 3.380 0 40 DGAB CC(C)CNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152397 DFWWNMFIDIBVBJ-GFCCVEGCSA-N 321.808 3.065 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCCC1=CCCCC1 45605479 QAEOOJZTSFAIEL-UHFFFAOYSA-N 301.386 3.355 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc(-n2cccn2)nc1 49407302 SCEZZPFZDWYAJT-HNNXBMFYSA-N 320.396 3.018 0 40 DGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)[nH]1 222943144 RRCZODSZHBSMCE-CVEARBPZSA-N 314.458 3.347 0 40 DGAB Cn1c(CNc2ccc(-n3ccnc3)cc2)nc2ccccc21 95428536 FLGQCNYCRBCMNA-UHFFFAOYSA-N 303.369 3.371 0 40 DGAB CC(C)COc1ncccc1C(=O)N1CCc2cc(F)ccc21 338093756 QQGXVWBHFINKPZ-UHFFFAOYSA-N 314.360 3.458 0 40 DGAB O=C(Nc1ncccc1O)c1ccccc1NCc1cccnc1 97371188 DASCGBXJABXENG-UHFFFAOYSA-N 320.352 3.047 0 40 DGAB Cc1ncc(CN(C)CCc2nccs2)n1-c1ccccc1 93843919 KOTJHQQICDAXBJ-UHFFFAOYSA-N 312.442 3.312 0 40 DGAB O=C(/C=C/c1cccs1)NCCn1cc(-c2ccccc2)cn1 253473233 SYNVVUORYXURBN-CMDGGOBGSA-N 323.421 3.441 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2c2cnccn2)c2ccccc2n1C 257280761 OMGHRINHYRVKSR-QGZVFWFLSA-N 320.396 3.254 0 40 DGAB Cc1cn2c(CNCCCO[C@H]3CCCCO3)c(C)nc2s1 585118235 HXMJGHJNMSFDFE-HNNXBMFYSA-N 323.462 3.036 0 40 DGAB CC[C@H]1C[C@H](c2nc(Cc3c[nH]c4ncccc34)no2)CCO1 274228821 UXPWYRLHAVNMGJ-YPMHNXCESA-N 312.373 3.209 0 40 DGAB CO[C@@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69513372 PKIAWADJEXNEEW-GXFFZTMASA-N 301.308 3.404 0 40 DGAB Cc1nc(C)c(CN2CC[C@@H](Oc3ccncc3C)C2)s1 1206192116 HQKCMDUKSNCLPG-CQSZACIVSA-N 303.431 3.117 0 40 DGAB O=C(O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 225400 XGXSCWIUBHXDMH-GXDHUFHOSA-N 301.729 3.196 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 11339931 MOKYFLCRKIPGJH-CHWSQXEVSA-N 317.360 3.479 0 40 DGAB O=C(CCc1ncc(-c2ccccc2)o1)Nc1ncccc1O 12631713 YZGSMCMPSXPOJY-UHFFFAOYSA-N 309.325 3.014 0 40 DGAB O=C(O)CCC[C@H]1CCCN(C(=O)OCc2ccccc2)C1 12649184 CKTKTEQFRVSTPP-AWEZNQCLSA-N 305.374 3.290 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(F)cc1F 13265243 OUVBHHHIPSQRGP-SUMWQHHRSA-N 301.340 3.325 0 40 DGAB Cc1ccccc1OCc1nnc(S)n1Cc1ccco1 13535071 WPFWDBISUDMUSX-UHFFFAOYSA-N 301.371 3.096 0 40 DGAB Cc1cc(C)cc(NC(=S)NCCCN2CCCCC2)c1 18162537 QGYFNJAZRUGVCA-UHFFFAOYSA-N 305.491 3.466 0 40 DGAB O[C@]1(c2cccnc2)CCCN(Cc2ccccc2F)CC1 19349051 YBXMJCNAVGIPOM-GOSISDBHSA-N 300.377 3.094 0 40 DGAB CC(=O)Nc1c(C)cc(Br)cc1Br 19681330 UQIHLBCNXGRJPY-UHFFFAOYSA-N 306.985 3.478 0 40 DGAB CCN(C(=O)Cc1ccccc1)[C@H]1CN(C)C2(CCCCC2)C1 19695629 BPLQMYYUMWAVKY-GOSISDBHSA-N 314.473 3.485 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)o1 8328384 DPQVVYJRAZCLNS-LPIAKDFXSA-N 310.353 3.154 0 40 DGAB CCN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O 5552319 AGEQSTFVVWXIET-FNORWQNLSA-N 302.149 3.098 0 40 DGAB O=C(c1noc2c1CCCC2)N1CCc2sc(Cl)cc2C1 520409258 CYEBWJCKWYBWGD-UHFFFAOYSA-N 322.817 3.467 0 40 DGAB CC(C)(C)c1nnc(N2CCC(Oc3nccs3)CC2)s1 2086884473 YDFPRSFNKMIFOL-UHFFFAOYSA-N 324.475 3.340 0 40 DGAB CCn1c(O)c(C(=O)Nc2ccc(C)cc2)c(=O)c2ccccc21 6520081 YUACBQPWMUICBE-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB O=C(COC(=O)c1ccco1)c1ccc(Br)cc1 240424 ZVMXCTUGJXCVEE-UHFFFAOYSA-N 309.115 3.082 0 40 DGAB COC(=O)C1CCN(Cc2nc(-c3cccs3)oc2C)CC1 11050020 NXSWLCVPEBXJDC-UHFFFAOYSA-N 320.414 3.097 0 40 DGAB Cc1c(C(=O)NCCC(=O)OC(C)C)oc2ccc(Cl)cc12 16964098 YDXMPHLXSFNMPF-UHFFFAOYSA-N 323.776 3.466 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccc(C)o1)c1cccs1 40485293 FAIZHRIZVNYKGV-WCQYABFASA-N 320.414 3.094 0 40 DGAB NC(=O)c1cc(Cl)ccc1OC(=O)Nc1ccccc1F 1752778 FVITVZPXIDBGQC-UHFFFAOYSA-N 308.696 3.189 0 40 DGAB C[C@@H]1N(CC(=O)NCc2ccccc2)c2ccccc2C1(C)C 6792283 DJCHOEWDGXWMLU-HNNXBMFYSA-N 308.425 3.489 0 40 DGAB O[C@H](COc1ccccc1)Cn1c(C2CC2)nc2ccccc21 16903733 RYBSTDNVKPCKRS-HNNXBMFYSA-N 308.381 3.354 0 40 DGAB CN(C)C(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)o1 7163754 TWJFMRDBBUJHKL-UHFFFAOYSA-N 319.430 3.214 0 40 DGAB CN(C(=O)CSc1ncccn1)[C@@H]1CCCc2ccccc21 8499909 DCNOHQCJRKHHOH-OAHLLOKOSA-N 313.426 3.105 0 40 DGAB COc1cccc(C(N)=O)c1OCc1ccc(SC)cc1 32888506 WORMBTYANHVPFO-UHFFFAOYSA-N 303.383 3.095 0 40 DGAB CCCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 11917169 RRNROGINASMKPT-UHFFFAOYSA-N 314.370 3.398 0 40 DGAB COc1ccc(-c2cc(C(=O)N3C[C@H]4CC[C@H]3C4)no2)c(F)c1 104103830 BHOWJNSTSBVJDX-QWRGUYRKSA-N 316.332 3.114 0 40 DGAB CC(C)n1cc2c(C(F)(F)F)cc(SCC(=O)O)nc2n1 12398345 DKCLLJOYVHOZOD-UHFFFAOYSA-N 319.308 3.208 0 40 DGAB O=C(C=c1sc(=CC(=O)c2ccccc2)s1)c1ccccc1 3099137 XWUYZIWMZBIWOR-UHFFFAOYSA-N 324.426 3.136 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)C1CCCCC1 54848793 HZPFWOBNFROKAE-UHFFFAOYSA-N 316.430 3.313 0 40 DGAB Cc1noc(C)c1CSCc1cc(=O)n2c(C)cccc2n1 42982828 UDVMLDSISHUTBW-UHFFFAOYSA-N 315.398 3.041 0 40 DGAB COc1cc(CNC(=O)Nc2cccc(Cl)c2C)ccn1 43173985 VHQGRENMHYRKBE-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB Cc1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1C 100284454 GVNFPJVIVKCVBK-ROUUACIJSA-N 301.386 3.364 0 40 DGAB O=C(Nc1ncc2c(n1)-c1ccccc1CC2)c1ccccc1 1397141 PULONVIRFQPJAG-UHFFFAOYSA-N 301.349 3.495 0 40 DGAB C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CO 89852878 IQSYWFOIOSZRLC-GWCFXTLKSA-N 316.323 3.330 0 40 DGAB NC(=O)Nc1ccc(-c2csc(Nc3ccccn3)n2)cc1 24936104 URQNAKBULQELNA-UHFFFAOYSA-N 311.370 3.439 0 40 DGAB COc1cc(C(=O)Nc2nnc(C(C)C)s2)cc(OC)c1C 25323583 FBXXXELOTAJCSC-UHFFFAOYSA-N 321.402 3.239 0 40 DGAB O=C(CSc1ccccc1)Nc1ccccc1Cn1cncn1 55968721 KYYYFAAIHMFBJY-UHFFFAOYSA-N 324.409 3.057 0 40 DGAB CC(C)(C)C1CCC2(CC1)NC(N)=Nc1nc3ccccc3n12 3231559 VQMJCKXCFCPRPR-UHFFFAOYSA-N 311.433 3.475 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1C 43832272 UCVLOYAMAQMWNK-FZMZJTMJSA-N 324.446 3.099 0 40 DGAB CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)c1ccco1 3314113 KZTSQWJKKNPQQC-UHFFFAOYSA-N 315.369 3.264 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2cccc3c2C(=O)NC3=O)cc1 3306748 KXBOVLXSMWHSPD-UHFFFAOYSA-N 322.364 3.120 0 40 DGAB CCc1nnc(NC(=O)[C@@H](CC)Nc2cccc(C)c2)s1 7459911 JUIKWWZYGQVJNW-GFCCVEGCSA-N 304.419 3.238 0 40 DGAB O=C1/C(=C\c2ccccc2)N=C(S)N1c1ccc2c(c1)OCO2 27027700 YNMCTFSEZRBWON-MDWZMJQESA-N 324.361 3.089 0 40 DGAB CCN(CC)c1ccc(NC(=O)Cc2noc3ccccc23)cn1 44639750 FGEFCKBAROBHRK-UHFFFAOYSA-N 324.384 3.250 0 40 DGAB C[C@@H](NC(=O)COc1ccccc1)c1nc(-c2ccccc2)c[nH]1 58192538 WUWJYWGTJDFBDV-CQSZACIVSA-N 321.380 3.333 0 40 DGAB CCCCNC(=O)C[S@@](=O)Cc1ccc(Cl)cc1Cl 58198193 KBXBOCHAKHFWGW-LJQANCHMSA-N 322.257 3.158 0 40 DGAB CC(=O)c1cccc(NC(=O)NCc2ccc([C@H](C)O)cc2)c1 58231172 OEVUVXZNMCFZPY-LBPRGKRZSA-N 312.369 3.264 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)c2cccc(N3CCOC3=O)c2)o1 44967006 GIDSLPHRSQAXFQ-GFCCVEGCSA-N 314.341 3.036 0 40 DGAB C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H](C)O1 12806164 AQGNCEWQJDVUOV-PHIMTYICSA-N 322.455 3.024 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c(C)c1 3424616 JTTWSMCJZKIWTD-CJNGLKHVSA-N 303.402 3.155 0 40 DGAB COc1ccc(-c2nnc(S[C@H]3CCCCC3=O)o2)cc1 3445165 KXAXGXNEGRBXJF-ZDUSSCGKSA-N 304.371 3.349 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2cccnc2Cl)c1C 3451705 KHDODUWQEUVJTM-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB O=Cc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 6051628 MPMLYUZFIZTTIU-GOSISDBHSA-N 309.365 3.072 0 40 DGAB CCCCOc1ccc(/C=C2\SC(=O)NC2=O)cc1OC 13843882 VPKFRJCWFUPRIH-LCYFTJDESA-N 307.371 3.198 0 40 DGAB COc1ccc(F)cc1CSc1nnc2nc(C)cc(C)n12 6326001 QBYSWSLQFJCLEZ-UHFFFAOYSA-N 318.377 3.181 0 40 DGAB Cc1[nH]c(=S)sc1CC(=O)NCCCc1ccccc1 14021480 IOWHNZYODSOEEW-UHFFFAOYSA-N 306.456 3.406 0 40 DGAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1cscn1 65536216 PUIGZHNOIDWUKJ-UHFFFAOYSA-N 314.414 3.267 0 40 DGAB CCOC(=O)CC(C(=O)OCC)=C1C2CC3CC(C2)CC1C3 22112510 CERSLUYUTAKPSN-UHFFFAOYSA-N 306.402 3.255 0 40 DGAB O=C(NCC(F)(F)F)[C@H]1C[C@H]1c1ccccc1Br 65606274 CFWPFAGYMZRSRF-IUCAKERBSA-N 322.124 3.231 0 40 DGAB COc1ccccc1NC(=O)COC(=O)CC1CCCCC1 6549567 SIMGVMVGMKVEEF-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB COc1ccc(CNC(=O)c2ccc(-n3cccc3)cc2)cc1 8272497 ZYKVHLLJSUOILP-UHFFFAOYSA-N 306.365 3.416 0 40 DGAB O=C(CSc1nc2ccccc2o1)Nc1ccc(O)cc1 5905375 IQVRHDATMPAQFP-UHFFFAOYSA-N 300.339 3.264 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2cccs2)cc2c1OCCO2 17842403 WJFVNNYZEHDPCB-SNVBAGLBSA-N 319.382 3.019 0 40 DGAB CC[C@@H](OC1CCCCC1)C(=O)NCc1noc(C(C)(C)C)n1 89941891 GEYSYTYVZVSZJI-CYBMUJFWSA-N 323.437 3.111 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccccc1O 8752522 CVQDROJQIJSMQL-ZDUSSCGKSA-N 313.353 3.193 0 40 DGAB Cc1cc(NC(=O)CSc2ccc3ccccc3n2)n(C)n1 9117835 VJBPFTJJUDBGHS-UHFFFAOYSA-N 312.398 3.008 0 40 DGAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)C2CCOCC2)c1 84085998 VBKMMNXCYUPSEW-UHFFFAOYSA-N 313.401 3.163 0 40 DGAB Cc1ccc(CNCc2cccnc2)c(OC[C@@H]2CCOC2)c1 84146318 FIHCTHZGEVFQGS-QGZVFWFLSA-N 312.413 3.095 0 40 DGAB CCc1ocnc1C(=O)N1CCC[C@H](c2nc(C)c(C)s2)C1 72297480 RKUXLWYQRKGSQT-LBPRGKRZSA-N 319.430 3.330 0 40 DGAB NC(=O)C[C@@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 93808496 OXGIQEYQSYPNBD-HNNXBMFYSA-N 316.445 3.095 0 40 DGAB CC[C@H](NC(=O)NCc1cc(C)no1)c1cc(F)ccc1F 96419902 XMKMYBHKRIIKMI-AWEZNQCLSA-N 309.316 3.212 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCc1cnc(C)s1 79018197 UHOCLZNBKIEAQX-AWEZNQCLSA-N 304.415 3.234 0 40 DGAB CNC(=O)c1cccc(CSCc2nnc(C(C)(C)C)o2)c1 95412913 DBQVSLRKIKPJHD-UHFFFAOYSA-N 319.430 3.160 0 40 DGAB Cc1ocnc1CNCc1cnn(-c2ccc(Cl)cc2)c1 95462139 XJFPVEGZSGXNIW-UHFFFAOYSA-N 302.765 3.112 0 40 DGAB CCN(Cc1ccc2ccccc2n1)C(=O)Cc1cc(C)on1 95405581 OSAGOOFOCLONPO-UHFFFAOYSA-N 309.369 3.122 0 40 DGAB O=C(Nc1cccnc1Cl)[C@@H]1CC(c2cccc(F)c2)=NO1 79431134 RNHKZUDFZOEXIV-ZDUSSCGKSA-N 319.723 3.006 0 40 DGAB CN(C)C(C)(C)CNC(=O)c1cc2c(ccc3ccccc32)[nH]1 95949172 GKMRLFCGDVLPHZ-UHFFFAOYSA-N 309.413 3.391 0 40 DGAB Cc1ccc(NC(=O)CN[C@H](CCO)C2CCCCC2)cc1C 95995958 PUKJGRIMOHNZII-GOSISDBHSA-N 318.461 3.163 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H]2CCCN(Cc3ccccc3)C2)cn1 74447894 NSJVMQCSWOCDAF-LJQANCHMSA-N 323.440 3.127 0 40 DGAB COc1ccc([C@H](O)[C@@H]2CCCN2C(=O)C2CCCCC2)cc1 89438793 MIGVAHUJHPJGMP-ROUUACIJSA-N 317.429 3.300 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 60360797 AGHADKZEGSOSRA-ZDUSSCGKSA-N 322.836 3.109 0 40 DGAB c1cncc(Oc2cncc([C@@H]3CCCN(CC4CC4)C3)n2)c1 72383889 ADHAQEBGAHKRBY-OAHLLOKOSA-N 310.401 3.253 0 40 DGAB C[C@H]1C[C@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 78570623 NIUIYONNBJSBMH-USXIJHARSA-N 306.494 3.439 0 40 DGAB CCCN(CCc1ccccn1)C(=O)c1sccc1OC 79352140 USSREQXUMCLVDH-UHFFFAOYSA-N 304.415 3.247 0 40 DGAB CC(=O)c1cccc(NC(=O)NCC[C@H](O)c2ccccc2)c1 75536121 VEWUOAOIBPERLQ-KRWDZBQOSA-N 312.369 3.134 0 40 DGAB CCN(CC)C(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184887 CATIBCXJIOVOOS-UHFFFAOYSA-N 307.781 3.191 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NCCC1CCCCC1 42646226 PJHZXPHCQPBDIX-UHFFFAOYSA-N 306.381 3.159 0 40 DGAB CCCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cn1 225902156 VUZKVZJDFIHKPG-KRWDZBQOSA-N 306.406 3.404 0 40 DGAB CCc1nnc(CN[C@H]2CCCC[C@H]2Oc2cccc(C)c2)o1 195570289 CSJHVPFVOKOSGG-JKSUJKDBSA-N 315.417 3.420 0 40 DGAB CCc1ccc([C@H](C)CC(=O)N(C)C2CCS(=O)CC2)cc1 81833762 OGPRGIXNJSVGMX-QVJCIOKHSA-N 321.486 3.112 0 40 DGAB O[C@H](c1cccc(-c2ccc3c(c2)CCOC3)n1)C(F)(F)F 527589547 HZYWSZMBZSVFEY-OAHLLOKOSA-N 309.287 3.417 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2ccc3cc[nH]c3c2)C2CC2)n1 96487325 JTWZDDABDKGFPE-INIZCTEOSA-N 306.369 3.147 0 40 DGAB CCCOCCc1nnc(NC(=S)Nc2ccccc2)s1 95116352 RBZVAAMJQXJGCV-UHFFFAOYSA-N 322.459 3.316 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 96451501 FVQHKMAGGRNKDS-GJZGRUSLSA-N 323.506 3.150 0 40 DGAB O=C(O)c1ccccc1-c1cnc(CN2CCCCCC2)nc1 257218933 DEWPIHITPJEHJI-UHFFFAOYSA-N 311.385 3.218 0 40 DGAB CNc1cc([C@H]2CCCN2Cc2ccccc2C(=O)O)ccn1 257222542 DTRXTAODHXBOMV-MRXNPFEDSA-N 311.385 3.159 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)nc1)c1cc(C2CC2)on1 390829967 HUPAXYOACKHNQE-UHFFFAOYSA-N 309.325 3.137 0 40 DGAB Cc1cc(C)c2nc(O)c(CN[C@@H](CO)CC(C)C)cc2c1 585292852 AYTFKDPZWFGDMB-MRXNPFEDSA-N 302.418 3.054 0 40 DGAB O=S(=O)(c1cccnc1)N(Cc1ccc(Cl)cc1)C1CC1 46053251 UOFNVZWLUQTCHL-UHFFFAOYSA-N 322.817 3.088 0 40 DGAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@H]1C1CCCCC1 55600824 HTEITHQFRFFFJI-AWEZNQCLSA-N 308.809 3.213 0 40 DGAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@H](O)C1 75156857 OUAXMHBVTPUGGE-NEPJUHHUSA-N 302.296 3.130 0 40 DGAB O=C(Nc1cc(Br)ccc1F)c1cc(C2CC2)[nH]n1 75136833 BGCDQALHXFDHDM-UHFFFAOYSA-N 324.153 3.441 0 40 DGAB O=C(Nc1ncnc2ccccc12)c1ccc(-n2cccn2)cc1 78815397 DIJZMQZKLKKFMC-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@H](CCN1CCCC1=O)OC(=O)c1cccc(F)c1Cl 95404978 XTBQWJKCLAHQSU-SNVBAGLBSA-N 313.756 3.037 0 40 DGAB CC[C@@H](O)[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1F 585126817 JBWXCLDDHUVJTI-GHMZBOCLSA-N 319.298 3.009 0 40 DGAB CC(C)(C)OC(=O)NCc1cccc(NCc2ncc[nH]2)c1 89662670 QNSTVHREZQVUED-UHFFFAOYSA-N 302.378 3.047 0 40 DGAB C[C@@H]1C[C@H](N[C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC(C)(C)C1 95961919 CJVLKOWSASLNRI-KBXIAJHMSA-N 301.496 3.147 0 40 DGAB COc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1 362955 SJGAZXVWFPPTRQ-CMDGGOBGSA-N 318.423 3.283 0 40 DGAB COc1cc(/C=C2/CCn3c2nc2ccccc2c3=O)ccc1O 4023538 VIANBOSJQDRZTH-RAXLEYEMSA-N 320.348 3.055 0 40 DGAB biogenic COc1ccc(SCC(=O)NCc2ccc(F)cc2)cc1 5243554 DPCZNKHYSOQKBD-UHFFFAOYSA-N 305.374 3.243 0 40 DGAB C1=C(c2ccccc2)CCN(Cn2nnc(-c3ccccc3)n2)C1 5256518 HRUWPDKIGZKZEN-UHFFFAOYSA-N 317.396 3.087 0 40 DGAB Cc1ccc(-c2nc3ccccc3c(=O)n2CCCN(C)C)cc1 13637332 AKZDJYZBDKGKOK-UHFFFAOYSA-N 321.424 3.324 0 40 DGAB COc1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1N 21507685 ZWTRYCXTKSDAGY-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CCc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)s1 7348322 QGJIKXDHWOJVQP-QMMMGPOBSA-N 311.794 3.160 0 40 DGAB Cc1cc(S(=O)(=O)N2CCc3sccc3C2)c(C)s1 21890803 NKWVSKJMNIHHOM-UHFFFAOYSA-N 313.469 3.173 0 40 DGAB COc1ccc(C)cc1CN(C)Cc1csc(NC(C)=O)n1 28724390 JCQCMCSELMDRKN-UHFFFAOYSA-N 319.430 3.051 0 40 DGAB Fc1cc(F)c2c(c1)N(Cc1nnsc1Cl)CCC2 29921150 DJDQHAJUWJYWPI-UHFFFAOYSA-N 301.749 3.423 0 40 DGAB COc1ccc(CN2C(=O)CCC23CCN(C(C)C)CC3)cc1 2055819350 HGSQKYDBQWNYDV-UHFFFAOYSA-N 316.445 3.061 0 40 DGAB O=C(O)c1nn(-c2ccc(F)cc2)cc1OCc1ccccc1 26421980 XEURMBZBBRWJOL-UHFFFAOYSA-N 312.300 3.289 0 40 DGAB COc1ccc(C(=O)/N=c2\sc3cccc(F)c3n2C)cc1 100909216 JHXAYWIELCVGDC-VLGSPTGOSA-N 316.357 3.129 0 40 DGAB O=C(NCc1cncc(-c2ccoc2)c1)OCc1cccnc1 575620075 JXHZRDHCRMQBHV-UHFFFAOYSA-N 309.325 3.163 0 40 DGAB CCCOc1ccc(C(=O)N2CCOC[C@H]2C)cc1OCCC 40074439 TYLOMFFCUYAPMH-CQSZACIVSA-N 321.417 3.125 0 40 DGAB COC(=O)CCc1c[nH]c2cc(F)cc(Br)c12 1857793071 BVTIRIPDWHYSEE-UHFFFAOYSA-N 300.127 3.175 0 40 DGAB Cc1nn(C)c(C)c1C(=O)OCc1nc2ccccc2s1 10952607 AAKJSWCJLVGYLM-UHFFFAOYSA-N 301.371 3.004 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1C 342798 SUNUTXQJCIVPPR-UHFFFAOYSA-N 312.369 3.168 0 40 DGAB CCOc1cc(NC(=O)CC)c(OCC)cc1NC(=O)CC 419882 ZXYJJUQAUDDUTD-UHFFFAOYSA-N 308.378 3.181 0 40 DGAB Cc1ccc(Cn2c(C3CC3)nc3ccc(N)cc3c2=O)cc1 1363127 ZMKYRVYRROMTCI-UHFFFAOYSA-N 305.381 3.213 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)c1 11359582 COMCGBLZZCXVEV-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CN(C)C(=O)c1nn(-c2ccccc2Cl)c2c1CCCC2 40513996 REHVHOCLCFGUHI-UHFFFAOYSA-N 303.793 3.106 0 40 DGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)[C@H]1CC=CCC1 40509942 PFAXEBMSNCDBTP-INIZCTEOSA-N 312.413 3.146 0 40 DGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H]2CCCC[C@@H]21 7307595 WYCMLKDHJCDEJW-RISCZKNCSA-N 315.385 3.308 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c1C 6338415 NHEXVWPQYCEKDN-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB Cc1cc(C)nc(N(C#N)CCOc2ccc(Cl)cc2)n1 242620 GDPSFDWQTOIHIX-UHFFFAOYSA-N 302.765 3.113 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)N1CCCCCC1 7357841 VZFMMICIALEMNX-LLVKDONJSA-N 321.402 3.213 0 40 DGAB COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@H](CC(C)C)CN1CC2 2567237 WEQLWGNDNRARGE-OIISXLGYSA-N 319.445 3.030 0 40 DGAB in-vitro Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)cc1F 69657004 XAHRTVHJIWLAOG-UHFFFAOYSA-N 300.333 3.430 0 40 DGAB CN(Cc1ccccc1)C(=O)CSc1ncc2ccccn12 36855075 QJGCYKLEJSEQCU-UHFFFAOYSA-N 311.410 3.085 0 40 DGAB Cc1n[nH]c2cc(NC(=O)Cc3noc4ccccc34)ccc12 91835632 RWAMQFSXDVWECW-UHFFFAOYSA-N 306.325 3.194 0 40 DGAB CC(C)(C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 32754775 JUZCKJBODSGUSP-UHFFFAOYSA-N 306.369 3.184 0 40 DGAB CN1CCN(C(=O)CCc2ccsc2)c2ccccc2C1 69774100 ULVXDIPCATUMFO-UHFFFAOYSA-N 300.427 3.159 0 40 DGAB O[C@@H](CSc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1 32900847 CDLNFDGBKOZTEZ-AWEZNQCLSA-N 319.405 3.455 0 40 DGAB Cc1noc([C@H](NC(=O)Nc2ccc(F)cc2F)C(C)C)n1 69740824 GHRINNSRGYHFLL-GFCCVEGCSA-N 310.304 3.175 0 40 DGAB Nc1cc(Cl)ccc1N1CCN(Cc2ccccc2)CC1 52929225 ZMFBUBUZGUAMEM-UHFFFAOYSA-N 301.821 3.244 0 40 DGAB COc1cc2c(Cl)c(C(=O)O)sc2c(OC)c1OC 58234988 KGMKZIACUMIYLR-UHFFFAOYSA-N 302.735 3.279 0 40 DGAB CCN(CC)C(=O)c1cc(Br)cc(Cl)c1O 75146029 AIUQVWLAADSQCY-UHFFFAOYSA-N 306.587 3.290 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 23076420 ZTHADPXTQIYDML-KRWDZBQOSA-N 316.401 3.101 0 40 DGAB CCc1nnsc1C(=O)Nc1ccc(-c2coc(C)n2)cc1 23149846 BYLCGZSCTIGWKR-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB CC1CCN(C[C@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831788 BTIIZGYDRCRTFM-VUHPKUFZSA-N 309.494 3.311 0 40 DGAB Cc1cccnc1NC(=O)CCc1nc(-c2cccs2)no1 12550563 OKYXXMACZIFXBP-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 12592675 SVVCLNUQEAVBGR-SNVBAGLBSA-N 305.765 3.183 0 40 DGAB Cc1cc(C(F)(F)F)nc(-n2cc(-c3ccccc3)nn2)n1 1402296 IMBWDLRQZYLUMW-UHFFFAOYSA-N 305.263 3.052 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 55863566 RQVYROXDHNXEDM-QGZVFWFLSA-N 315.392 3.082 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)c1c[nH]c2ccccc12 12547908 DMVUMZNHDBEMSC-UHFFFAOYSA-N 318.380 3.256 0 40 DGAB COc1ccc(OC)c(CN(C(=O)c2occc2C)C2CC2)c1 26029861 GEDVFAMUBSGMAB-UHFFFAOYSA-N 315.369 3.410 0 40 DGAB O=C(CCCn1cccn1)Nc1ccc2oc(C3CC3)nc2c1 58004499 WQGUYQKAYVRYCK-UHFFFAOYSA-N 310.357 3.321 0 40 DGAB O=S(=O)(Nc1ccccc1F)c1ccc(F)c(F)c1F 3330074 IUBINVUBDXNZMV-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)C1CC1 58292028 FBTZSGBABPLCOJ-UHFFFAOYSA-N 305.381 3.111 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)CNCCCN(C)C 3339143 UZJDSNHBNFOBPY-UHFFFAOYSA-N 319.493 3.413 0 40 DGAB CCNC(=O)c1cccc(NC(=O)N(C)CC2CCCC2)c1 58417538 ZICJBGPICRKMRU-UHFFFAOYSA-N 303.406 3.090 0 40 DGAB CC(C)(C)n1cc(C(=O)NCCSCc2cccs2)cn1 48243091 AAPFRGBPDKEEKO-UHFFFAOYSA-N 323.487 3.363 0 40 DGAB Cc1ccc(C)c(C(=O)Cn2cccc(C(F)(F)F)c2=O)c1 12980613 NWJVXZJUOWRROB-UHFFFAOYSA-N 309.287 3.367 0 40 DGAB CC(C)=C(C(=O)O)/C(C(=O)O)=C(\C)c1cn(C)c2ccccc12 3767769 KXSRBGXNOHYQSV-WJDWOHSUSA-N 313.353 3.457 0 40 DGAB CC1(C)C[C@@](CCN2C(=O)CCC2=O)(c2ccccc2)CCO1 4029687 LAMAGWPQBOVVRK-IBGZPJMESA-N 315.413 3.053 0 40 DGAB biogenic Cc1oc2c(C)c3oc(=O)c(CC(=O)O)c(C)c3cc2c1C 4042658 OWRHVCAKIFIAHT-UHFFFAOYSA-N 300.310 3.400 0 40 DGAB biogenic C[C@@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(Cl)s1 49376647 GLOZWTKZEQQYJN-MRVPVSSYSA-N 318.826 3.103 0 40 DGAB COc1ccc(CNC(=O)CSc2ccc(F)cc2F)cc1 7921124 BXAXUEPTQUGSSY-UHFFFAOYSA-N 323.364 3.382 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](NC[C@H](C)c3ccccc3)C2=O)cc1 4163968 YWJWWPVGOBPONZ-MAUKXSAKSA-N 322.408 3.020 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccsc2)N1C[C@H]1CCCO1 8157106 JDDCBTJSGZXWKX-CJNGLKHVSA-N 314.410 3.494 0 40 DGAB COc1ccc(CC(=O)NCc2nc(C(C)(C)C)cs2)cc1 69559930 UWVLAIJSWMARAA-UHFFFAOYSA-N 318.442 3.308 0 40 DGAB CCOCCCC(=O)NCc1ccc(Oc2ccccc2)nc1 65611765 CYLAJZOIZLXBID-UHFFFAOYSA-N 314.385 3.307 0 40 DGAB C[C@H](NC(=O)C[C@@](C)(O)C(F)(F)F)c1ccccc1Cl 14241757 FDACVLWNJYYLLA-QPUJVOFHSA-N 309.715 3.221 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 5574323 WIRSAELRJXDSLL-INIZCTEOSA-N 323.323 3.497 0 40 DGAB CC[C@@H](C)C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69368587 SPMHVGKMXISKCK-GFCCVEGCSA-N 302.374 3.055 0 40 DGAB Cc1n[nH]cc1CNC(=O)C[C@@H](c1ccccc1)C(F)(F)F 69657016 SKTGBLPYYGOSAR-ZDUSSCGKSA-N 311.307 3.071 0 40 DGAB COc1cccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1 6946495 WTXOFMIQCWSGRJ-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB COc1ccc(-c2nn(-c3ccccc3)cc2CC(=O)O)cc1 5935004 IIVBHUZWOHMSMY-UHFFFAOYSA-N 308.337 3.175 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(F)c2)cc1 5965594 BSBAWOZIFRHKDO-GFCCVEGCSA-N 301.317 3.434 0 40 DGAB Cc1cc(O)n2nc(SCc3ccccc3Cl)nc2n1 18029793 NLAXAKIKQMGHGH-UHFFFAOYSA-N 306.778 3.084 0 40 DGAB CCOc1ccc(CN(C)Cn2c(=O)oc3ccccc32)cc1 7077348 MFHDTOCAMBIKBY-UHFFFAOYSA-N 312.369 3.083 0 40 DGAB O=C(c1cc(F)ccc1F)N1CCCC[C@@H](N2CCCC2)C1 69980593 RVLIMPIUPBYNPX-CQSZACIVSA-N 308.372 3.055 0 40 DGAB CC(C)(C)c1nnc(CNC(=O)N2CCC[C@H]2C2CCC2)s1 89761542 JGOFSDWEUNPVKW-LBPRGKRZSA-N 322.478 3.310 0 40 DGAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)NCc1ccco1 9061818 NQMVEIPZZRZHQS-UHFFFAOYSA-N 320.197 3.373 0 40 DGAB CCCC(=O)N(CCC)Cc1cc2ccc(C)cc2[nH]c1=O 9282101 HTPLGCZINHZDHN-UHFFFAOYSA-N 300.402 3.375 0 40 DGAB CCSc1cccc(CC(=O)Nc2ccncc2N(C)C)c1 96011092 HSDRKCXUHSHHQG-UHFFFAOYSA-N 315.442 3.441 0 40 DGAB CC(=O)CCCC(=O)N[C@@H]1CCc2c(Br)cccc21 96012383 KBVDJJQGXRKHMQ-CQSZACIVSA-N 324.218 3.312 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccsc1 9387376 QFNBIPCKCWXSLI-SNVBAGLBSA-N 310.369 3.485 0 40 DGAB Cc1cccc(N2N[C@@](C)(c3cccs3)NC2=S)c1C 20146279 SJOITSCLKBNUAM-HNNXBMFYSA-N 303.456 3.437 0 40 DGAB Cc1ccc(-c2nnco2)cc1NC(=O)[C@H]1C[C@H]1c1ccco1 84185640 JDPJHWSFDPCHEO-OLZOCXBDSA-N 309.325 3.380 0 40 DGAB C[C@@H](O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 72273202 WZDYEBZHXDFEAI-LLVKDONJSA-N 321.323 3.271 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@H](C)c2cccnc2)s1 97012529 NKDYRVIDWHAWQP-LLVKDONJSA-N 304.419 3.142 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cc(CN(C)C)ccc2C)c(C)o1 97103186 GURNJMDYHUSBMS-UHFFFAOYSA-N 322.430 3.067 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H](c2nccs2)C1)N1CCCCCC1 72300314 AOTPZTFIZZQXID-HUUCEWRRSA-N 321.490 3.114 0 40 DGAB O=C(CC[C@H]1CCOC1)Nc1cc(Cl)c(O)c(Cl)c1 97379027 OXLJQAVPHWZOQB-QMMMGPOBSA-N 304.173 3.454 0 40 DGAB C[C@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2ccccc12 95450640 CRBDZHRXBIDREC-SNVBAGLBSA-N 313.382 3.016 0 40 DGAB Cc1cc(CN2CCC[C@H](c3cc(C(F)(F)F)[nH]n3)C2)no1 78900989 LLLQLKZQTIFAQS-JTQLQIEISA-N 314.311 3.105 0 40 DGAB O=C(c1ccc2[nH]c(=S)oc2c1)N1CCCO[C@@H]2CCC[C@@H]21 73768527 RIUAYJHJTFINDY-QWHCGFSZSA-N 318.398 3.274 0 40 DGAB CN(C)c1ccccc1NC(=O)NCCC[C@@H]1CCCCO1 95940606 PNZXFUVTISXIFT-AWEZNQCLSA-N 305.422 3.223 0 40 DGAB CCO[C@@H]1C[C@H](N(C)c2ccc(C(F)(F)F)nn2)C1(C)C 95981588 IKNCVAZLUSKNTC-WDEREUQCSA-N 303.328 3.135 0 40 DGAB C[C@@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)C1CCOCC1 95975140 NVPOJCJKTCXEOQ-SNVBAGLBSA-N 323.343 3.433 0 40 DGAB O=C(Nc1ccccc1Nc1ccccc1)c1cc[nH]c(=O)c1 95992138 LLHSQIYGGRQNSZ-UHFFFAOYSA-N 305.337 3.371 0 40 DGAB C[C@H](NC1CCN([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 95969365 YEMUAHPLJOHXTK-JTDSTZFVSA-N 308.510 3.434 0 40 DGAB Cc1ccc(-c2cnc3n2C[C@H]2CN(CC4CC4)C[C@@H]2C3)cc1 306140228 UNIZCVOBSDJNGN-ZWKOTPCHSA-N 307.441 3.373 0 40 DGAB COc1ccc(OCCCNc2cc(Cl)nc(C)n2)cc1 60372318 YUHGQLYKRLHNRB-UHFFFAOYSA-N 307.781 3.328 0 40 DGAB O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1F 23237996 KCPYDWDRMVKLMG-UHFFFAOYSA-N 319.401 3.365 0 40 DGAB Cc1cc(=O)n(CC(=O)Nc2ccccc2F)c2ccccc12 32530259 SAYWSFPGDPDPKC-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB Cc1ccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)cc1 72369981 ASGGXSIOFWYGLZ-QGZVFWFLSA-N 320.396 3.430 0 40 DGAB O=C(NC[C@H](O)Cc1ccccc1)c1ccccc1C(F)(F)F 70639253 PVCPBHVUVAMIBR-CYBMUJFWSA-N 323.314 3.039 0 40 DGAB COc1ccc(-c2cc(-c3cccs3)nc(N)n2)cc1OC 71978282 VIBZJWCRBUJORM-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)Cc2ccc(C(=O)NC)cc2)C1 76071026 YGJOXARZKXWZHF-JKSUJKDBSA-N 306.475 3.152 0 40 DGAB C[C@@H](Sc1ncnc2nc[nH]c12)c1nc(-c2ccccc2)no1 73966112 HPXCENHEANEFQN-SECBINFHSA-N 324.369 3.256 0 40 DGAB Cc1ncc(CNC(=O)N[C@H]2C[C@@H]2c2cccc(Cl)c2)s1 77556336 ZSNWFGZUQGQALT-KGLIPLIRSA-N 321.833 3.460 0 40 DGAB Cc1cccc(-c2[nH]ncc2CNc2ccc3oc(=O)[nH]c3c2)c1 195577918 QLPIUNDXDGHVRY-UHFFFAOYSA-N 320.352 3.432 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)C2(Cl)Cl 138686374 HCDVZVFIKWCHOV-UHFFFAOYSA-N 308.205 3.150 0 40 DGAB COc1ccc(C[S@@](=O)CC[C@H]2CCCO2)c(Cl)c1 195577200 LLYOKNYRSCNVDC-BLVKFPJESA-N 302.823 3.166 0 40 DGAB CCC[C@@]1(COC)CCCN1C(=O)Nc1c(C)nn(CC)c1C 194808388 LCIMHCPNXITUGI-KRWDZBQOSA-N 322.453 3.333 0 40 DGAB O=C(Nc1ccccc1SC(F)F)N[C@H](CCO)C1CC1 96421835 LBTIWTOBVJRPDI-SNVBAGLBSA-N 316.373 3.284 0 40 DGAB COCc1ccccc1NC(=O)Nc1cnn(CC(C)C)c1 96435513 AYLNLUHOMGGXBT-UHFFFAOYSA-N 302.378 3.330 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1cccc(F)c1)CC2 96106303 URXQYDROLJMWPU-INIZCTEOSA-N 307.409 3.091 0 40 DGAB ON1[C@H]2CCCC[C@H]2N(O)[C@@H]1c1ccccc1C(F)(F)F 239274896 AVUONKCFKWYIRP-ITGUQSILSA-N 302.296 3.411 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 95989349 DCXCWXWFNSMODT-BZSNNMDCSA-N 323.392 3.267 0 40 DGAB CC(C)CN1CCC2(CCN(Cc3ccc(F)cc3)CC2)C1=O 96046769 HNMWLMWNYZUETE-UHFFFAOYSA-N 318.436 3.296 0 40 DGAB Cc1ncc(CN2CCO[C@H](c3ccco3)C2)n1-c1ccccc1 93841519 FXUQXTOFZUVOAI-IBGZPJMESA-N 323.396 3.347 0 40 DGAB COc1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)c(OC)c1 253433743 AHYXJLYMWLVTLH-LFIBNONCSA-N 323.348 3.243 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1c1ccn[nH]1 257212868 CFGQRBDZCXVNHH-CYBMUJFWSA-N 301.415 3.327 0 40 DGAB CCOC1(c2nc([C@]34OCCC[C@@H]3C4(F)F)no2)CCCC1 585120371 KAZRRTNKRVKBRN-IINYFYTJSA-N 314.332 3.146 0 40 DGAB O=C(C1CCC1)N1CCC[C@H]1c1cccc(CN2CCCC2)n1 257256463 KLPMGTCJPVYEQU-SFHVURJKSA-N 313.445 3.141 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@H](C)c1nccn1C)CC3 378496069 LNAMIWJARIXPEV-ZIAGYGMSSA-N 308.429 3.418 0 40 DGAB Cc1cccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)c1C 65594801 AVBXMYWDCVJTMJ-UHFFFAOYSA-N 323.440 3.439 0 40 DGAB Cc1ccc(CN2CCC(C(=O)O)CC2)cc1Br 97901863 YCCDOYVLIPBAAQ-UHFFFAOYSA-N 312.207 3.054 0 40 DGAB C[C@@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(F)cc1 5657869 UPYUNXOYLYELIF-SNVBAGLBSA-N 307.346 3.000 0 40 DGAB O=C(Nc1ccc(Cl)cc1)OC[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1CO 5493445 BAPOYRYFAYJTIF-IDTSFGKNSA-N 307.777 3.319 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 11339930 MOKYFLCRKIPGJH-QWHCGFSZSA-N 317.360 3.479 0 40 DGAB OC1(c2ccc(F)cc2)C[C@@H]2CC[C@H](C1)N2Cc1ccccn1 13267865 XHWFQYLHIBEOQQ-DFNIBXOVSA-N 312.388 3.235 0 40 DGAB CCCCC(=O)N[C@@H](C)c1nc(-c2ccccc2OC)no1 13495147 LXLHIBYKKSBXOM-NSHDSACASA-N 303.362 3.113 0 40 DGAB CCCC(=O)N(CCC)Cc1cc2cc(C)ccc2[nH]c1=O 13750511 MGPSBPICPDALRI-UHFFFAOYSA-N 300.402 3.375 0 40 DGAB CCN(CC)CCN1CSC(=S)N(Cc2ccccc2)C1 19364681 CUKWCGLNAHPBJC-UHFFFAOYSA-N 323.531 3.079 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3ccc(Cl)cc3o2)C1 1889114240 KJFUXKGUGVNHNN-JTQLQIEISA-N 321.808 3.222 0 40 DGAB C[C@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccn1 26185713 HZRMXADXHTUKGD-LBPRGKRZSA-N 303.793 3.338 0 40 DGAB Cc1cc2ncn(C(=O)COc3ccc4c(c3)OCO4)c2cc1C 9426697 FVHYCHVTLHBGTD-UHFFFAOYSA-N 324.336 3.101 0 40 DGAB Cc1csc(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c1 96096407 HEHPDOBUOASSAH-OAHLLOKOSA-N 314.410 3.012 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(F)cc(F)c1 31968704 NHZYXFWKUZDSEJ-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB Cc1nn(C)c(NC(=O)[C@H](C)CCOc2ccccc2)c1C 73081350 UCTHPPAIODLIMF-GFCCVEGCSA-N 301.390 3.081 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 40074706 PMRQAZCCFMEERY-SNVBAGLBSA-N 321.760 3.065 0 40 DGAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 40074638 JBHNHRONKFIUDN-BXKDBHETSA-N 323.801 3.419 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2ccccc2O)c(C)c1 557999 DRCBHFZVYRIBCN-UHFFFAOYSA-N 300.383 3.136 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1cc(Cl)ccn1 36779306 PQPGYDMJNCWDLL-UHFFFAOYSA-N 317.776 3.127 0 40 DGAB CC(C)C(=O)O[C@@H]1c2cc(OCCN(C)C)ccc2C[C@H]1C 1668196 MZHSSHXKQOTGOQ-DYVFJYSZSA-N 305.418 3.060 0 40 DGAB CSc1cccc(NC(=O)COC(=O)c2ccccc2)c1 3567338 GXCXAFKBPRVIPG-UHFFFAOYSA-N 301.367 3.204 0 40 DGAB O=Cc1cn(CC(=O)NCCCc2ccccc2)c2ccccc12 51318966 ZUWIROPTKFSBQP-UHFFFAOYSA-N 320.392 3.203 0 40 DGAB COc1cccc([S@@](C)=NS(=O)(=O)c2ccc(C)cc2)c1 4963131 HCQNSQMFXRPZSF-FQEVSTJZSA-N 323.439 3.183 0 40 DGAB C[C@@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12 4983599 FOMMZXSAOZSXPW-MVCWPVRBSA-N 303.446 3.179 0 40 DGAB CCOc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)[C@@H](O)C[C@H]12 6657152 ZEQNGLSQEXECAG-QONVVCGCSA-N 316.441 3.273 0 40 DGAB COc1cccc(NC(=S)Nc2cccc(NC(C)=O)c2)c1 6784629 SEBHZENKERPXMY-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB CCCSc1nnc(NC(=O)Cc2ccc(F)cc2)s1 7345364 ASOOGNXUCUISAB-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1cccs1 7847101 JREHGXULEOLDHO-UHFFFAOYSA-N 302.399 3.021 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(c1ccccn1)CC2 101489439 YHOJEOKVFNYHJC-KBPBESRZSA-N 303.406 3.060 0 40 DGAB COc1cccc(NC(=O)[C@H](C)OC(=O)CC2CCCC2)c1 32797433 JXYXJQKXUUCFCI-LBPRGKRZSA-N 305.374 3.146 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccco1)c1ccc(C)cc1 32748184 CLHJXDYFYTXXBU-BBRMVZONSA-N 314.385 3.033 0 40 DGAB CC(C)[C@H](NC(=O)C1CCCC1)c1ccc2[nH]c(=O)oc2c1 75138473 MMQLSNHICQKPQA-HNNXBMFYSA-N 302.374 3.125 0 40 DGAB NNc1nc2sc3c(c2c(=O)n1C1CCCCC1)CCCC3 496189 KOTWQPYIIOSCKD-UHFFFAOYSA-N 318.446 3.128 0 40 DGAB Cc1cc(Oc2nc3ccccn3c(=O)c2C=O)ccc1Cl 575920 ZIRYAXQSTQYWQJ-UHFFFAOYSA-N 314.728 3.261 0 40 DGAB COc1ccc([C@H]2OC(c3ccc(C)cc3)=NN2C(C)=O)cc1 564345 HIXPITUEDZWMHW-GOSISDBHSA-N 310.353 3.243 0 40 DGAB Cc1ccc(CCC(=O)NCCc2ccccn2)cc1Cl 22507788 DVEQURMEFJOKEP-UHFFFAOYSA-N 302.805 3.335 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1ccccc1F)c1cccs1 22892832 QDCVPXAEDWNZMZ-ZDUSSCGKSA-N 307.394 3.312 0 40 DGAB O=C1OCC2=C1[C@@H](c1ccccc1F)CC(=O)N2c1ccccc1 1427587 JWTDLFVLHXERKV-CQSZACIVSA-N 323.323 3.157 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(F)cc1F 100189308 OUVBHHHIPSQRGP-GUYCJALGSA-N 301.340 3.325 0 40 DGAB COC(=O)c1ccc(C(=O)N(C2CC2)[C@@H](C)c2ccco2)cc1 56181971 RZJDVUCCWKJLAB-LBPRGKRZSA-N 313.353 3.432 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)O1 12598872 WYLWBOHMUGWEDR-GASCZTMLSA-N 323.392 3.167 0 40 DGAB O=C(CC[S@](=O)Cc1ccccc1F)Nc1ccccc1 58098695 LMQLDUHOGCJXHV-OAQYLSRUSA-N 305.374 3.103 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 28487945 FYIDPXNBJYOZEO-OLZOCXBDSA-N 317.360 3.479 0 40 DGAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)[nH]c3c2)o1 44755370 IKZJIJLDQVKDBT-VNRAKMJVSA-N 324.336 3.489 0 40 DGAB CC(C)C(=O)NCc1ccc(Cn2cnc3ccccc32)cc1 58292005 CXIRTEURCBHUQX-UHFFFAOYSA-N 307.397 3.357 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)cn1 58304636 LIOFOXFBYWCQLO-CYBMUJFWSA-N 306.369 3.271 0 40 DGAB Cc1cnc(NC(=O)CCc2cnn(-c3ccccc3)c2)s1 10626552 NAPMQKCWLALGBI-UHFFFAOYSA-N 312.398 3.209 0 40 DGAB Cc1csc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n1 3323462 WUFURICHIKLZPG-CQSZACIVSA-N 318.398 3.262 0 40 DGAB Cc1n[nH]cc1CNc1ncnc2sc3c(c12)CC[C@H](C)C3 48364828 QACBLBGVOUKFOZ-VIFPVBQESA-N 313.430 3.460 0 40 DGAB Cc1noc(C)c1CC(=O)NCCOc1ccc(C(C)C)cc1 48373897 OQFZJHYKKILTRR-UHFFFAOYSA-N 316.401 3.153 0 40 DGAB CCc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)cc1 3461446 SPYVAJANGRMILJ-LLVKDONJSA-N 321.427 3.252 0 40 DGAB O=C(NC[C@H]1CCCO1)c1c[nH]cc1-c1ccc(Cl)s1 48990132 BLYJDMNKGBOVTK-SECBINFHSA-N 310.806 3.305 0 40 DGAB CC(C)=CCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C 4045959 RYTMCPUAVMNKLA-UHFFFAOYSA-N 316.353 3.382 0 40 DGAB biogenic Cc1ccc(-c2nc(CCNC(=O)c3cccs3)c[nH]2)cc1 13609968 SKXHQLCVDOQKEE-UHFFFAOYSA-N 311.410 3.419 0 40 DGAB C[C@@H](Cn1cccn1)NCc1ccc(OCc2cccnc2)cc1 69442463 CAGVTGGYMRVBMN-INIZCTEOSA-N 322.412 3.035 0 40 DGAB CCCC(=O)N1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 69491842 LMAMLVXWIXVKDQ-CYBMUJFWSA-N 317.364 3.382 0 40 DGAB C[C@@H](OC(=O)COc1ccccc1)c1nnc(-c2ccccc2)o1 5281015 VELQKAFYOIYPRX-CYBMUJFWSA-N 324.336 3.420 0 40 DGAB CCOC(=O)[C@@H](Sc1nc(C)cc(C)n1)c1ccccc1 4690117 KYFFUCOHJNXNEI-AWEZNQCLSA-N 302.399 3.490 0 40 DGAB CCn1nc(C(=O)Nc2ccc(C)cc2C)c2ccccc2c1=O 5558576 WSNPYPJBSVFVNQ-UHFFFAOYSA-N 321.380 3.286 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3ccnc3)C2)c1 69919507 HQAYKZVJKOIEJN-OKZBNKHCSA-N 309.413 3.159 0 40 DGAB CCCOc1c(Br)cc(/C=C/C(=O)O)cc1OC 5952095 ZEWFCPCSLWGVHA-SNAWJCMRSA-N 315.163 3.344 0 40 DGAB Cc1ccc(F)cc1-n1nnc(C(=O)NC2CCCCC2)c1C 67263988 YBDCETTUFFHYLZ-UHFFFAOYSA-N 316.380 3.086 0 40 DGAB O=C(Nc1ccccc1F)Nc1ccccc1C(=O)NC1CC1 8719532 FWRPYHNMNONKRV-UHFFFAOYSA-N 313.332 3.362 0 40 DGAB O=S(=O)(NCCc1cccs1)c1ccc2c(c1)CCCC2 7310135 LUWANELQVLQPPJ-UHFFFAOYSA-N 321.467 3.148 0 40 DGAB CC[C@@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccc(C)cc1 8937919 DMJGWYFBPBNUAN-HNNXBMFYSA-N 301.390 3.141 0 40 DGAB CCc1ccc(CN(C)CC(=O)Nc2cccc(OC)c2)cc1 16564359 JKMRLFVAZSQJAA-UHFFFAOYSA-N 312.413 3.328 0 40 DGAB CC/C=C(\C)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 96035004 XMNUELIJKCXJRO-NTUHNPAUSA-N 315.417 3.071 0 40 DGAB Cc1ccccc1NC(=O)CCSc1nncn1C(C)C 96435692 PVPBCBPGUHHKBF-UHFFFAOYSA-N 304.419 3.288 0 40 DGAB CC(C)n1cc(NC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)cn1 89894050 MVIKCRWAPAEMHM-CZUORRHYSA-N 316.405 3.098 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)c3cccs3)C2)n[nH]1 84110135 FZDYMHLZEMKYDX-OLZOCXBDSA-N 303.431 3.289 0 40 DGAB COc1ccccc1CC(=O)N[C@H](c1nc(C)cs1)C1CC1 72296759 IQSMFOWIYHGOHK-INIZCTEOSA-N 316.426 3.270 0 40 DGAB CC[C@@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(F)cc1F 72291477 ANLQBSLTAALXSQ-CQSZACIVSA-N 320.339 3.151 0 40 DGAB O=C(O)c1ccc(F)c(NC(=O)C2(c3ccccc3F)CC2)c1 97036191 SEUAWBTVURBUHF-UHFFFAOYSA-N 317.291 3.333 0 40 DGAB CC(C)Cn1ncnc1C[S@@](=O)[C@@H]1CCc2c(F)cccc21 97047713 AMALVIRRLDWJMI-QRQCRPRQSA-N 321.421 3.009 0 40 DGAB CCOc1ncccc1CNCc1c[nH]nc1-c1ccc(C)o1 97159192 AVUHADQAHJTJSM-UHFFFAOYSA-N 312.373 3.062 0 40 DGAB C[C@H](O)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 97143477 HIPKTNHIZPUHIH-NSHDSACASA-N 304.777 3.271 0 40 DGAB C[C@@H]1C[C@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCC1=O 89920203 ISDTVTLGNQZKTK-CRAIPNDOSA-N 313.441 3.473 0 40 DGAB O=C(NCCCOc1cccc2cccnc12)[C@@H]1C[C@@H]1C1CC1 84493965 PEEDVEVHKRRJFH-HZPDHXFCSA-N 310.397 3.166 0 40 DGAB CCOC(=O)N1CCc2cc(N[C@@H](C)c3nnc(C)o3)ccc21 95395915 HBYUVCANYOIOCI-JTQLQIEISA-N 316.361 3.070 0 40 DGAB C[C@@H](Nc1cn[nH]c(=O)c1Cl)c1c(F)cccc1Cl 95406852 DRLFSNGESGXDGP-ZCFIWIBFSA-N 302.136 3.389 0 40 DGAB CC(=O)NC1CCN(c2ccc3ccc(Cl)c(C)c3n2)CC1 95462952 DAWTXPUXZUCIRU-UHFFFAOYSA-N 317.820 3.302 0 40 DGAB CC(C)n1nccc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 95433473 UDJREWFVDCZDSK-RYUDHWBXSA-N 322.434 3.159 0 40 DGAB CCS[C@H]1CCC[C@@H]1NC(=O)Nc1nnc(C2CC2)s1 84811991 LURLTOGJIOGRFR-UWVGGRQHSA-N 312.464 3.211 0 40 DGAB Clc1cnc(-n2cc(N[C@H]3CCCOC3)cn2)c(Cl)c1 95992668 YLPINHZWNQKICO-JTQLQIEISA-N 313.188 3.165 0 40 DGAB C[C@@H](N[C@@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 95968337 KMXGLMDHSXQJSR-YPMHNXCESA-N 305.399 3.251 0 40 DGAB CN1Cc2ccc(NCc3ccc(-n4cccn4)cc3)cc2C1 95971922 ODACHVJAKBLCPR-UHFFFAOYSA-N 304.397 3.430 0 40 DGAB COc1ccc(CCC(=O)Nc2cccc(C)c2O)cc1F 75094037 DXXYTRTXNGHSQD-UHFFFAOYSA-N 303.333 3.420 0 40 DGAB CC[C@@H]1CCCC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccsc1 79097822 DKTNZZLEUCZRSQ-UKRRQHHQSA-N 322.474 3.247 0 40 DGAB O=C(c1cncs1)N1CC[C@@H](Cc2cccc3ncccc23)C1 72367664 NUSOCQIDBKVATF-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB O=C(Nc1ccon1)c1nnsc1-c1ccc(Cl)cc1 72242929 ORDAPEMCRKPXQZ-UHFFFAOYSA-N 306.734 3.099 0 40 DGAB COCc1nn2cc(-c3ccc(OC(C)C)cc3)nc2s1 40963919 JRVFNQPJYMLEIS-UHFFFAOYSA-N 303.387 3.391 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](c1ccc(CN)cc1)C(F)(F)F 72196017 YWKVYZNATQCGBD-NSHDSACASA-N 304.312 3.273 0 40 DGAB COc1cccc(OCC(=O)NCc2ccccc2Cl)c1 44508912 UUNBAZZGYIYATF-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB COCc1ncsc1C(=O)N(C)[C@@H](C)Cc1ccccc1C 225462853 BHGIGLPIBJYQCO-ZDUSSCGKSA-N 318.442 3.301 0 40 DGAB CC(C)NC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1 49545234 SELWNHQVIPHRKX-UHFFFAOYSA-N 314.172 3.105 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 195530756 YVZNXIOJZJIKAF-KFWWJZLASA-N 319.449 3.061 0 40 DGAB CCN(CC)C(=O)COc1ccc(-c2nc3ccccc3[nH]2)cc1 41005190 VXQMFDWXCZLJGD-UHFFFAOYSA-N 323.396 3.477 0 40 DGAB CCOC(=O)Cc1csc(Nc2cccc(C(C)=O)c2)n1 223448811 NFKLJOOCWCSPFI-UHFFFAOYSA-N 304.371 3.195 0 40 DGAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)Nc1cccnc1 227159019 HKHDZKDAYUUCHX-UHFFFAOYSA-N 322.368 3.063 0 40 DGAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@H](C)C2)cn1 225899908 CMFFMXNQPYTPRA-GUYCJALGSA-N 306.406 3.404 0 40 DGAB CCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223332885 HLVHMOQXGSHDOF-LJQANCHMSA-N 324.424 3.303 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccccc1C 223192349 KUADRCOTRQKUEJ-CQSZACIVSA-N 319.426 3.184 0 40 DGAB CC(C)(C)[C@@H](CO)NC(=O)Nc1c(F)cc(F)cc1Cl 195557357 HHCNGFSFNVZWFK-SNVBAGLBSA-N 306.740 3.147 0 40 DGAB CC[C@@H]1OCCC[C@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 575603100 QUOFYZCSJIGJJH-CABCVRRESA-N 313.401 3.231 0 40 DGAB O=C(NCC1(c2cccc(Cl)c2)CCCC1)C1CCNCC1 95426471 WQCSXRVBSFJSCA-UHFFFAOYSA-N 320.864 3.268 0 40 DGAB Cn1cc(CN2CC[C@@]3(CCOC3)C2)c(C2CCCCC2)n1 97372985 AYFCGIGHZRDEOS-GOSISDBHSA-N 303.450 3.080 0 40 DGAB C[C@H]1CCN(c2ncnc3nc(N)ccc23)[C@H](c2ccco2)C1 96494543 BUSQIXYUBXNQQD-AAEUAGOBSA-N 309.373 3.178 0 40 DGAB O=C(CC1=CCCCC1)N1CCO[C@@H]2[C@@H]1CC[C@H]2OCC1CC1 96041611 FHJNMDFNRNKTOT-YQVWRLOYSA-N 319.445 3.062 0 40 DGAB CCOC1CCN(C(=O)NCC2(c3cccc(F)c3)CC2)CC1 96417823 YHCWKSCREATJDX-UHFFFAOYSA-N 320.408 3.068 0 40 DGAB C[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)[S@@](C)=O 96501228 VUSUAZFIXFRPOF-PEBXRYMYSA-N 316.426 3.301 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H]1c1cnccn1 257327176 XAHOELJPZNHGPS-IBGZPJMESA-N 321.424 3.262 0 40 DGAB COc1ncc(-c2nc(-c3cccc(Cl)c3)no2)c(C)n1 252482506 DHFXKNKBKLZIDV-UHFFFAOYSA-N 302.721 3.164 0 40 DGAB O=C(c1cccs1)N1Cc2nccn2C[C@@H]1c1ccccc1 257250395 JMIQUBFHNFHDIL-CQSZACIVSA-N 309.394 3.342 0 40 DGAB c1ccc2c(CN3CCO[C@@H](c4cnccn4)C3)cccc2c1 257339111 ZAGHMLNMOAKUOU-LJQANCHMSA-N 305.381 3.203 0 40 DGAB O=C(Cc1noc2ccccc12)N[C@H]1CCc2cc(F)ccc21 56315025 XHGANKYEJOANCT-HNNXBMFYSA-N 310.328 3.313 0 40 DGAB Cc1ccc(F)c(NC(=O)NC2CCC(CN(C)C)CC2)c1 89618722 NDFPXHYESDVWCJ-UHFFFAOYSA-N 307.413 3.376 0 40 DGAB O=C(CCc1cccnc1)Nc1ccc(Cl)c(C(=O)O)c1 37403762 YCSYQIQIUNJAOU-UHFFFAOYSA-N 304.733 3.005 0 40 DGAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCc1cccs1 5000537 LDSTYEMLHGTVDP-IIYDPXPESA-N 306.475 3.169 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ncoc1-c1ccc2ccccc2c1 5002084 WBLQDELRPMQTOJ-INIZCTEOSA-N 322.364 3.404 0 40 DGAB CCCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](C)N2 5266261 WLLNNCBSDOITQQ-TZMCWYRMSA-N 313.405 3.200 0 40 DGAB CCOCCOCCO[C@@H](C)Oc1ccc(CCC(C)=O)cc1 5575725 KAZZECBCUJFCOU-MRXNPFEDSA-N 324.417 3.003 0 40 DGAB CC(C)NCCO[S@@](=O)C(c1ccccc1)c1ccccc1 5962933 LATRADDNRKNQQJ-QFIPXVFZSA-N 317.454 3.454 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)NC(C)C)n1C1CCCCC1 14129005 BATVNMARGCHDNC-LLVKDONJSA-N 310.467 3.097 0 40 DGAB C[C@@H]1C[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)CCN1C 163458674 CPFZBVXJBWDCCL-PWSUYJOCSA-N 304.331 3.417 0 40 DGAB COc1ccc(-n2cc3c(O)nnc(-c4ccccc4)c3n2)cc1 13637216 PXRMHGJCYGDXJO-UHFFFAOYSA-N 318.336 3.197 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2nnc(C(C)(C)C)s2)C1 1889091577 PKLYGRPURPZSBM-LBPRGKRZSA-N 318.446 3.197 0 40 DGAB Cc1ccc2cc(CCNC(=O)C3CCCCC3)c(=O)[nH]c2c1 6309487 OBSHEZLEISGEMU-UHFFFAOYSA-N 312.413 3.076 0 40 DGAB CO[C@H](CCSC)CNC(=O)c1ccccc1C(F)(F)F 1775967387 PQYVMULZSXVCLV-SNVBAGLBSA-N 321.364 3.203 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(C[C@@H]2CCCCO2)CC1 1207950305 RQVJXKINFUIYKZ-INIZCTEOSA-N 309.837 3.193 0 40 DGAB CC(=O)Nc1cc(C(=O)N2CCc3ccccc3C2)ccc1C 40108599 DCSXLJRNCVNFCK-UHFFFAOYSA-N 308.381 3.152 0 40 DGAB CCOc1ncccc1C(=O)OCc1cccc2cccnc12 11151794 FCNOWKMYFLGTMT-UHFFFAOYSA-N 308.337 3.386 0 40 DGAB Cc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)nc1 8195577 MJKHVFQXAVEUFD-UHFFFAOYSA-N 304.415 3.425 0 40 DGAB Cc1ccc(-c2noc(CSc3nncs3)n2)cc1F 45794687 INGXKWKDZZRVDZ-UHFFFAOYSA-N 308.363 3.328 0 40 DGAB CC(=O)Nc1cnc(NC(=O)c2ccccc2Cl)cc1C 1352629 YLXAYBHFMVZPQW-UHFFFAOYSA-N 303.749 3.254 0 40 DGAB O=c1ccc2ccc3c(c2o1)CN(Cc1ccc(F)cc1)CO3 20403833 ATRKWPVPYVUHFM-UHFFFAOYSA-N 311.312 3.284 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc2[nH]cnc2c1 40512374 ARJSMQQLBOQBIZ-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB Cc1cc(NC(=O)CCN(C)[C@H](C)c2ccccc2F)no1 51407358 OKNKFZMFXGHLHP-GFCCVEGCSA-N 305.353 3.144 0 40 DGAB COc1c(C)cc(S(=O)(=O)Nc2cccc(C)n2)c(C)c1C 4970560 XNOITHNVIDUTAG-UHFFFAOYSA-N 320.414 3.125 0 40 DGAB CC[C@H](C)C(=O)Nc1cc(Br)ccc1-n1cncn1 51987122 MFNWAHLDABHBPP-VIFPVBQESA-N 323.194 3.014 0 40 DGAB CCCOc1ccc(C(=O)Nc2cccc(O)c2)cc1OC 10041006 DAEATRYTWBLIPN-UHFFFAOYSA-N 301.342 3.442 0 40 DGAB CCOc1ccc(-c2ccc(OC(=O)c3cccnc3)nn2)cc1 10127773 ZFCSSMYCPOZOOL-UHFFFAOYSA-N 321.336 3.157 0 40 DGAB COc1cc(C(=O)Nc2ccn(C)n2)ccc1OCCC(C)C 32765292 DXPFKZRKGIYERE-UHFFFAOYSA-N 317.389 3.106 0 40 DGAB CCc1sc(C(=O)O[C@@H](C)C(=O)Nc2cc(C)no2)cc1C 32876045 UTWOGZUKEIDVLQ-JTQLQIEISA-N 322.386 3.099 0 40 DGAB CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@H]1CCc2ccccc2C1 75122839 WXLRJMQKOWJVGE-KRWDZBQOSA-N 324.424 3.093 0 40 DGAB COc1ncccc1C(=O)N[C@@H](C)c1cccc(OC(F)F)c1 60534791 ADVLFHALHPLCAP-JTQLQIEISA-N 322.311 3.183 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1 9064043 NLFTXFVFOZZWTE-UHFFFAOYSA-N 300.383 3.130 0 40 DGAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2c(C)ccc(C)c21 9872732 VRTAZAPGDGFLHA-FQEVSTJZSA-N 323.392 3.017 0 40 DGAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC(C)C 22461307 BCBSUIBPINCEES-UHFFFAOYSA-N 308.378 3.308 0 40 DGAB O=C(O)CNc1cc(C(F)(F)F)ccc1OCC(F)(F)F 938843 RWQDXAQECAGYIW-UHFFFAOYSA-N 317.185 3.143 0 40 DGAB Cc1ccccc1NCN1C(=O)[C@@H]2CC[C@@](C)(C1=O)C2(C)C 100483061 GJQRSVANRABPSC-UGSOOPFHSA-N 300.402 3.176 0 40 DGAB COc1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)C1)C2(C)C 100749291 RUTVOTPITWJIKI-ROUUACIJSA-N 301.386 3.419 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2c[nH]c3ccccc3c2=O)cc1 22234044 RPQARNKXKKRIKM-LBPRGKRZSA-N 322.364 3.028 0 40 DGAB N/C(=C/S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 104208705 RSGLQTJQWLKOHQ-SFQUDFHCSA-N 317.454 3.477 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1C 107347602 KSOCSNYPCANROX-SOUVJXGZSA-N 302.418 3.102 0 40 DGAB CC(=O)CSc1nc2ccsc2c(=O)n1-c1ccccc1 26089460 MTJBXRMASKXEHZ-UHFFFAOYSA-N 316.407 3.128 0 40 DGAB CC(C)COc1ccc(CNC(=O)NCc2ccccn2)cc1 57115081 AHYLSDYFELKMPD-UHFFFAOYSA-N 313.401 3.116 0 40 DGAB Cc1cccc(NC(=O)CCn2ncc3c(Cl)cccc32)n1 57279964 QAOZAZHVQBAALJ-UHFFFAOYSA-N 314.776 3.422 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccc(OC)cc1 20037973 NSYZLOZLHSOXNK-GOSISDBHSA-N 313.397 3.477 0 40 DGAB CCCCCNC(=O)C[C@@H](NC(=O)OCC)c1ccccc1 2140771 APKWWWFYUZHRIK-OAHLLOKOSA-N 306.406 3.170 0 40 DGAB O=C(c1cc(-c2ccco2)on1)N1CCC(n2cccc2)CC1 58357508 YBTREPHMIJEQDN-UHFFFAOYSA-N 311.341 3.213 0 40 DGAB COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccsc2)c1 12743105 HOFHCLVTVLUACR-LBPRGKRZSA-N 304.415 3.216 0 40 DGAB CC(C)n1ncc2cc(C(=O)N(C)Cc3ccsc3)cnc21 48249196 MVQHQIMGWNWCST-UHFFFAOYSA-N 314.414 3.346 0 40 DGAB CCOc1ccc2nc(NC(=O)[C@@H](C)n3cccn3)sc2c1 12849805 BKBVFQNHWLKBLF-SNVBAGLBSA-N 316.386 3.091 0 40 DGAB CCCN1C(=O)N[C@@H](c2cccc(Cl)c2)C(C(=O)OC)=C1C 13020758 YOGMMWOUKWIANI-AWEZNQCLSA-N 322.792 3.263 0 40 DGAB CCC[C@H]1CCCN(C(=O)Nc2ccccc2CC(N)=O)CC1 69460639 CRLBYJGZJHYHCG-AWEZNQCLSA-N 317.433 3.149 0 40 DGAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2ncnn21 13127498 IMAZCCKGMHERPG-CVEARBPZSA-N 306.369 3.433 0 40 DGAB C[C@@](CC(=O)Nc1ccc(F)cc1)(C(=O)O)c1ccccc1 13251092 HAEWZNDVPUZHRN-KRWDZBQOSA-N 301.317 3.197 0 40 DGAB COCCc1noc(COc2ccc(Cl)c3cccnc23)n1 69558107 FPORVCLKEFQIGE-UHFFFAOYSA-N 319.748 3.039 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCOC12CCCCC2 13720360 FGVXTKKEDRMNND-UHFFFAOYSA-N 312.369 3.474 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1[C@@H](O)C(F)(F)F 69702602 UYEQWRMTRQEIBM-WDEREUQCSA-N 322.714 3.260 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 65495844 YMNFOWKLARZLQK-OAHLLOKOSA-N 300.402 3.128 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@H](C)c2ccccc2)c(C)c1 4576277 OZGSLFUSFRYCNH-OAHLLOKOSA-N 310.397 3.428 0 40 DGAB Cc1nc2cc(NC(=O)c3cccnc3N3CCCC3)ccc2o1 14250849 GWFJQMQRGMQGIK-UHFFFAOYSA-N 322.368 3.384 0 40 DGAB CCc1cccc(C)c1NC(=O)c1nn(C)c(=O)c2ccccc12 5560207 WESVSBFQSPYRSN-UHFFFAOYSA-N 321.380 3.057 0 40 DGAB COc1ccc2c(CC(=O)NCCc3cccs3)coc2c1 14629542 LATBYVUSYKRPEQ-UHFFFAOYSA-N 315.394 3.404 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@@H](C)c3nnc(C)o3)n2)cc1 66409101 AIKRCKSWODUPCB-VIFPVBQESA-N 301.375 3.325 0 40 DGAB O=C(Nc1ccsc1C(=O)N1CCCC1)c1ccccc1 5899700 LAVVBUMJQNYFNP-UHFFFAOYSA-N 300.383 3.236 0 40 DGAB O=c1cc(CN2CCC[C@H]2c2cccs2)nc2ccccn12 15479302 GUCKUGBJBFRRAE-AWEZNQCLSA-N 311.410 3.093 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccc(F)c1 7405590 GFPKHAZOBRWUFC-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(CO)cc2)cc1 7429941 GBHWFUZFPWMCHW-ZDUSSCGKSA-N 312.365 3.170 0 40 DGAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 96415128 VAASKRUGCVSWGT-MNOVXSKESA-N 319.380 3.422 0 40 DGAB CC[C@H](C)C[C@@H](C)NC(=O)Nc1cnn(CC(F)(F)F)c1 96435022 PHAOTOPUMYDOIQ-VHSXEESVSA-N 306.332 3.392 0 40 DGAB COc1ccc(Br)cc1SCCCNC(C)=O 89962679 SIKAHWXKIPFLOY-UHFFFAOYSA-N 318.236 3.076 0 40 DGAB COC[C@H](NC(=O)c1ccc[nH]1)c1cccc(C(F)(F)F)c1 72287909 HPYIAIGJXFVLHB-ZDUSSCGKSA-N 312.291 3.151 0 40 DGAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3cnc[nH]3)C2)n1 72297207 CEQKAKWCOZEARW-LLVKDONJSA-N 304.419 3.009 0 40 DGAB C[C@@H](c1nnc(-c2cccc(Cl)c2)o1)N1CCN(C)C[C@H]1C 89938893 FWOZSCZVIKOMRB-NEPJUHHUSA-N 320.824 3.087 0 40 DGAB Cn1cc(C2CCN(Cc3nc4ccccc4s3)CC2)cn1 97202899 WEZVXRAQAFHDFI-UHFFFAOYSA-N 312.442 3.409 0 40 DGAB C[C@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cncnc2)cc1 76091638 QVUKREPWMMMLGG-LBPRGKRZSA-N 322.343 3.169 0 40 DGAB CSC[C@H](C)NC(=O)Nc1nc(-c2ccccc2)ns1 76778185 BLTBOYRVDXRNPB-VIFPVBQESA-N 308.432 3.078 0 40 DGAB Cc1ccc([C@@H]2CN(C(=O)NCc3sccc3C)CCO2)o1 95437531 MVRPVSPHVLSMHG-AWEZNQCLSA-N 320.414 3.241 0 40 DGAB C[C@@H](NC(=O)Cc1cccs1)c1cccc(-n2ccnc2)c1 78935141 HCSGKCYVLKDASZ-CYBMUJFWSA-N 311.410 3.354 0 40 DGAB C[C@H](NC(=O)c1ccncc1F)c1cccc(N2CCCC2)c1 88218327 MJIUMCCICIPMJG-ZDUSSCGKSA-N 313.376 3.312 0 40 DGAB C[C@H](CN1CCN(C)CC1)N[C@@H]1CCCC[C@@H]1C1CCCCC1 95967783 ALRJDAOPULMUEH-MISYRCLQSA-N 321.553 3.351 0 40 DGAB Cc1cc(=O)[nH]cc1C(=O)N1CCCC2(CCCCCC2)C1 89568378 FKPQIDZEMDQMQP-UHFFFAOYSA-N 302.418 3.260 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccco2)C3)c1 306132367 LGPJATYBTUPLFZ-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB COc1ccc(C2=NO[C@@H](Cc3ccc4c(c3)OCO4)C2)cc1 34260359 RNDPZBIHSLBNKD-HNNXBMFYSA-N 311.337 3.160 0 40 DGAB COc1cc(C(=O)N2CC(C)(C)Sc3ccccc32)on1 184032975 JNINZBKVPJSAOK-UHFFFAOYSA-N 304.371 3.214 0 40 DGAB CCOC(=O)C[C@@H]1C[C@@H](C(C)C)[C@H](CNC(=O)C2CC2)C=C1C 30882392 CMWCIFMTHWUJQY-ULQDDVLXSA-N 321.461 3.320 0 40 DGAB biogenic,in-vitro CCCCCNC(=S)Nc1cccc(N2CCCC2=O)c1 225379155 NIUPUIUMGPYQKY-UHFFFAOYSA-N 305.447 3.290 0 40 DGAB N[C@H](CC(=O)O)c1ccc(-c2ccc(Br)cc2)o1 44216719 FVEJIZQGYQSIOE-SNVBAGLBSA-N 310.147 3.184 0 40 DGAB Cc1occc1SCC(=O)N1CCC[C@H](C(F)(F)F)C1 131293851 IRIAILDYPTWTML-JTQLQIEISA-N 307.337 3.481 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(F)cc1F 225597236 SNTPIKGMCUGGLJ-LLVKDONJSA-N 317.335 3.261 0 40 DGAB COc1cccnc1NC(=S)N[C@H](C)CCc1ccccc1 225516719 KLYDURYMMHAQTH-CYBMUJFWSA-N 315.442 3.398 0 40 DGAB c1ccc(CN2CC[C@@H](OCc3ccccn3)[C@H]3OCC[C@@H]32)cc1 96220170 NRKJUXVXIUQGIF-ZCNNSNEGSA-N 324.424 3.030 0 40 DGAB CC[C@H](C(=O)N1CCC(n2cccn2)CC1)c1ccc(F)cc1 97377790 OSLFPCLTVDWWOW-KRWDZBQOSA-N 315.392 3.380 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 96500893 WSCVARKLVSXGIA-OSMZGAPFSA-N 313.319 3.261 0 40 DGAB Cc1nc(COC(=O)c2c[nH]nc2-c2ccc(F)cc2)oc1C 97380181 JINHTCRHGAFXNC-UHFFFAOYSA-N 315.304 3.178 0 40 DGAB COc1ccc2oc([C@H](C)N[C@@H](C)C(=O)NC3CC3)c(C)c2c1 97374478 QUEWSFOEFWUZBN-RYUDHWBXSA-N 316.401 3.068 0 40 DGAB CCN1CCC(N2CCC[C@@H](Cc3ccc(C)nc3)C2)CC1 257295456 QYIZUXDCWSEKKA-SFHVURJKSA-N 301.478 3.129 0 40 DGAB CN(C)Cc1ccnc([C@H]2CCCN2C2CCCCCC2)n1 257309595 UBNGBKFGVSBJFH-QGZVFWFLSA-N 302.466 3.398 0 40 DGAB C[C@H](NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 585123280 VLVBGPLADPKEBP-WCQYABFASA-N 318.339 3.070 0 40 DGAB CCOc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCC(=O)C[C@H]1C 252486569 LPQJPWMHJZXBBJ-IFIJOSMWSA-N 315.413 3.194 0 40 DGAB CO[C@@](C)(CNC(=O)Cc1ccsc1)c1ccccc1F 96123544 BYHRYBXLNHPTLR-INIZCTEOSA-N 307.390 3.108 0 40 DGAB COC(=O)c1cc(Br)cc2[nH]nc(C(F)F)c12 575629348 RLMBJMZYSOGQSS-UHFFFAOYSA-N 305.078 3.050 0 40 DGAB COc1cc([C@H](C)N[C@@H]2CCN(C(C)C)C2=O)ccc1SC 89729410 AIHKBARRUJRGPM-GXTWGEPZSA-N 322.474 3.077 0 40 DGAB COc1cc(-c2nc3cnccn3c2NC(C)(C)C)ccc1O 12113766 AUORKBDNSAWNPL-UHFFFAOYSA-N 312.373 3.321 0 40 DGAB CC(C)CCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 17172629 MBGAPOVHEQHVDY-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB COc1ccc([C@H](C)NC(=O)COc2ccc(F)cc2)cc1 19935103 RPWPLLJQAQIKCJ-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB CC(C)n1c([C@@H](C)NC[C@@H](O)C(F)(F)F)nc2ccccc21 162359797 FXAUGKGTKWRFCD-ZWNOBZJWSA-N 315.339 3.191 0 40 DGAB O=C(CCC(F)(F)F)N1CCC[C@@H](COc2ccncc2)C1 1776001939 ULVOLAHGWGCQCS-GFCCVEGCSA-N 316.323 3.042 0 40 DGAB Cc1ccc(CSC2=NCCN2C(=O)c2ccco2)cc1 4120413 KXFYCYSJSPJFPG-UHFFFAOYSA-N 300.383 3.333 0 40 DGAB C[C@@H]1CCCCN1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 12289057 CLDPFFQOCOTUIH-HAAVTCDPSA-N 321.505 3.455 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCCn1ccc2cccnc21 206659918 XIOBFLUXPPDFGF-OAHLLOKOSA-N 323.396 3.010 0 40 DGAB O=C(/C=C\C(=O)OCCc1ccccc1)OCCc1ccccc1 100019833 IRPXHZWJKDZEHW-QXMHVHEDSA-N 324.376 3.114 0 40 DGAB COc1ccc(NC(=O)c2ccc(C(N)=S)cc2)cc1Cl 19995527 CTWJHQSIHBWSQQ-UHFFFAOYSA-N 320.801 3.235 0 40 DGAB NC(=O)c1sc2nc(C(F)F)cc(-c3ccco3)c2c1N 2564239 CYKOZJIKUFCRGX-UHFFFAOYSA-N 309.297 3.175 0 40 DGAB O[C@@H]1c2ccccc2CC[C@H]1C(O)(C(F)(F)F)C(F)(F)F 1639145 XIRXXXXJQVXTQG-NXEZZACHSA-N 314.225 3.138 0 40 DGAB CCN(CCNC(=O)Nc1ccc(OC)cc1)c1ccccc1 1732620 AMUFVFFEGBJXPY-UHFFFAOYSA-N 313.401 3.343 0 40 DGAB O=C(NCc1cccs1)C1(c2ccccc2)CCOCC1 16985169 RWMJXFAUIBWQDW-UHFFFAOYSA-N 301.411 3.113 0 40 DGAB [O-][n+]1ccccc1SCc1cc(Cl)cc2c1OCOC2 7507379 UIWURUFIFUYPLO-UHFFFAOYSA-N 309.774 3.132 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 7638160 DOHLTFPGSFPTFN-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB CCOC(=O)CS[C@@H](C)C(=O)Nc1ccccc1SC 21139592 WSTFCJWCDQDYKQ-JTQLQIEISA-N 313.444 3.032 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 55687192 KBHIAJMUMDUUDQ-NOZJJQNGSA-N 312.772 3.113 0 40 DGAB CCc1nccn1S(=O)(=O)c1ccc(Cl)c2ccccc12 41096398 NKNCZGMBESQXJA-UHFFFAOYSA-N 320.801 3.489 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@H](O)COc2ccccc2F)C1 102264135 ZOPIGYWDXSPTRN-YZVOILCLSA-N 321.436 3.466 0 40 DGAB COc1cccc2c(C)cc(SCC(=O)NCC(C)C)nc12 11907552 FDVAOQAKFCPREI-UHFFFAOYSA-N 318.442 3.416 0 40 DGAB C[C@H](NCc1ccnc(-c2ccccc2)n1)[C@@H](C)n1cccn1 69372194 RSDBWRFKXXCWMT-LSDHHAIUSA-N 307.401 3.079 0 40 DGAB O=C(COC(=O)c1cccc2ncccc12)c1ccccc1F 21687768 YSDXULGTYPTWMF-UHFFFAOYSA-N 309.296 3.414 0 40 DGAB Cc1ccc(O)c(C(=O)N(C)Cc2ccc(Br)o2)c1 41396175 QSBIBCWYMKKZRB-UHFFFAOYSA-N 324.174 3.328 0 40 DGAB COc1ccc(CCNc2cc(Cl)nc(C)n2)cc1OC 52835865 NDEWIZWMMZTXNQ-UHFFFAOYSA-N 307.781 3.110 0 40 DGAB CCSc1nnc2c3c4c(sc3ncn12)COC(C)(C)C4 522394 DHBJMGCNAWFFKD-UHFFFAOYSA-N 320.443 3.302 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)NCc3ccccc3)ccc21 22507278 FWIZDZYHAGKEAS-UHFFFAOYSA-N 323.396 3.307 0 40 DGAB C/C(=C\C(=O)N1CCC2(CC1)OCCO2)c1ccccc1Cl 103866574 NCJKOFUEHDKZGQ-OUKQBFOZSA-N 321.804 3.109 0 40 DGAB C[C@H](O)[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 89894248 AHHXCBMAYYNSEU-QWRGUYRKSA-N 316.228 3.155 0 40 DGAB Cc1nc(C2(NC(=O)c3ccc(F)c(F)c3)CCCCC2)no1 23508215 CIOREVZAPYGOAP-UHFFFAOYSA-N 321.327 3.246 0 40 DGAB Fc1ccc(Cl)cc1CNc1cnn(C[C@H]2CCCO2)c1 92564804 PWOVVCNGGVFDGU-CQSZACIVSA-N 309.772 3.467 0 40 DGAB CN(Cc1ccccn1)Cc1nc(-c2ccc(Cl)cc2)no1 56665501 JMTYXHDTVKJJJB-UHFFFAOYSA-N 314.776 3.417 0 40 DGAB CCc1cccc(CC)c1NC(=O)CSc1cccc[n+]1[O-] 3223191 ZEDOBNVOZAMBLH-UHFFFAOYSA-N 316.426 3.176 0 40 DGAB Cc1oc(-c2ccccc2)nc1COc1cccc(C(N)=O)c1 58329174 NUMGREUMUJASKM-UHFFFAOYSA-N 308.337 3.328 0 40 DGAB Cc1cccc(OCC(=O)N(C)c2nc3ccccc3o2)c1C 12753723 HSYMJEGLGGOURL-UHFFFAOYSA-N 310.353 3.486 0 40 DGAB COc1ccccc1[C@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 12793341 WXNDXLMCCGRIBY-LIRRHRJNSA-N 324.424 3.366 0 40 DGAB CCCNC(=O)CSc1nc2ccc(OCC)cc2s1 3448669 SRLHAUFEKHKNNW-UHFFFAOYSA-N 310.444 3.313 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)s1 13141845 HQVAFOMULXJEHK-RAIGVLPGSA-N 309.431 3.154 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c(C)c1 8479968 KYALKCBPIAXOAM-CYBMUJFWSA-N 313.353 3.438 0 40 DGAB CS[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 49344973 KEURRCGYEFBRAR-RYUDHWBXSA-N 312.866 3.034 0 40 DGAB CCCN(C)c1ccc(C(=O)N2CCC(OCC)CC2)cc1 63939448 CPMGMZIFDLIBPL-UHFFFAOYSA-N 304.434 3.174 0 40 DGAB CCc1nnc2sc(-c3ccc(Cl)nc3Cl)nn12 13690500 FEKYUQXMBYVNDF-UHFFFAOYSA-N 300.174 3.117 0 40 DGAB O=C(c1ccc2c(c1)COC2)N1CCC(Nc2ccccc2)CC1 64656813 MYTSJOKUCYBVDV-UHFFFAOYSA-N 322.408 3.434 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1cccnc1SC 14122404 CVCJMAPROMQSCS-UHFFFAOYSA-N 316.382 3.233 0 40 DGAB N=C1Nc2nc3ccccc3n2[C@H](c2ccc(Cl)c(F)c2)N1 65887958 JZAAFZONCNMWLD-CYBMUJFWSA-N 315.739 3.326 0 40 DGAB O[C@H]1C[C@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1 69879315 BASSHEHFAYGWFG-NWDGAFQWSA-N 315.339 3.015 0 40 DGAB CC(C)(C)C(=O)COC(=O)c1c2c(nc3ccccc13)CCC2 4979600 QMNSSWLGCAWDLH-UHFFFAOYSA-N 311.381 3.496 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 5958466 RNCRZPMBDPMOMH-OGHNNQOOSA-N 303.402 3.209 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](n2ccnc2)C1 69901843 OZKVIBCQWCHVST-CQSZACIVSA-N 315.442 3.301 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1 7421339 CVJKUVARDQTFQA-MRXNPFEDSA-N 308.425 3.405 0 40 DGAB CCN(CC)c1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 8877715 HDOWSKRGZWRDFK-UHFFFAOYSA-N 301.415 3.175 0 40 DGAB O=C1Nc2ccccc2[C@@H]1[C@H]1NCCc2c1[nH]c1ccccc21 9041425 YGURMDITZSVQME-SJLPKXTDSA-N 303.365 3.091 0 40 DGAB biogenic CCOc1ccc(NC(=O)N(C)C[C@H](C)c2nccs2)cn1 96010597 YNZAYNAIGURORO-NSHDSACASA-N 320.418 3.204 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)Nc1cccc(C(C)=O)c1 9322775 FPIFSLYIPRYZBV-LBPRGKRZSA-N 312.369 3.337 0 40 DGAB Cc1ccn2c(=O)cc(CSc3nc(C)cs3)nc2c1 9483905 DYNSUFGSDICLIZ-UHFFFAOYSA-N 303.412 3.060 0 40 DGAB Cc1occc1CNc1ccccc1S(=O)(=O)C(F)F 71894119 ABMBAZJFKNHOQY-UHFFFAOYSA-N 301.314 3.196 0 40 DGAB COC[C@@H](NC(=O)N[C@H](C)c1csc(C)n1)c1ccc(C)o1 84195188 ZQPIKLQTVUILCZ-ZYHUDNBSSA-N 323.418 3.101 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c(C)o1 72231660 FWKREDLRZWTWHE-SMDDNHRTSA-N 317.389 3.098 0 40 DGAB Cc1nc(CS[C@@H]2CCN(c3ccc(Cl)cc3)C2=O)no1 76018913 JLJOAFOGNVDEHH-GFCCVEGCSA-N 323.805 3.070 0 40 DGAB CCOc1cccc(NC(=O)Nc2ccc([S@@](C)=O)cc2)c1 97103669 ZGDSFXVUKICCFG-QFIPXVFZSA-N 318.398 3.467 0 40 DGAB Cc1cc(N2CCC(COc3ccccn3)CC2)nc(C2CC2)n1 72313952 MJYPMTWEIQVBMM-UHFFFAOYSA-N 324.428 3.353 0 40 DGAB Cc1cc(C(=O)N2CCCN(CC(F)(F)F)CC2)sc1C 97292424 KLPXOWAYEDXWDC-UHFFFAOYSA-N 320.380 3.075 0 40 DGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2nncn2c1 84636995 HVLOIRUCCLAIAJ-AWEZNQCLSA-N 322.412 3.216 0 40 DGAB O=C(Nc1ccc(-c2ncco2)cc1)c1cccc2cn[nH]c12 95452805 KIPAEEHZTJYVHV-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CCCSC2)o1 95944946 WMDMUGFGSIUDAZ-OCCSQVGLSA-N 324.446 3.168 0 40 DGAB Cc1cc(Oc2ccc(NC(=O)[C@@H]3C[C@H]4CC[C@H]3O4)cc2)n[nH]1 110690248 NPLKPQNABXSYBB-RBSFLKMASA-N 313.357 3.016 0 40 DGAB O=C1N(Cc2ccccc2)CC12CCN(Cc1ccccc1)CC2 38691618 BALGLKJKWUJKIU-UHFFFAOYSA-N 320.436 3.311 0 40 DGAB O=C(CCC1CCCCCC1)N1CC[C@@H](CO)C(F)(F)C1 1553649195 XLHFWOBQSCLBSC-AWEZNQCLSA-N 303.393 3.213 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@](C)(O)[C@@H](O)[C@@]3(C)CC[C@@H]21 39941865 OOVXZFCPCSVSEM-RABCQHRBSA-N 316.441 3.273 0 40 DGAB CN1CCc2c(c3cc(F)ccc3n2CCc2ccncc2)C1 71295823 PRSVXRUERNSVCI-UHFFFAOYSA-N 309.388 3.406 0 40 DGAB CCN(C)Cc1cccc(CNCc2cccc3c2OCO3)c1 78552919 CWUGYUVNDRGLLN-UHFFFAOYSA-N 312.413 3.157 0 40 DGAB COC(=O)c1cc(C(C)(C)C)oc1CP(=O)(OC)OC 33709308 XDWHWTCFVUTLTH-UHFFFAOYSA-N 304.279 3.350 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2C)C1 39918122 YZYQWQOZQKMGER-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2ccccc2C1 71281665 RQXDKRRANJUIPN-UHFFFAOYSA-N 323.421 3.441 0 40 DGAB c1ccc(CO[C@@H]2CCCC[C@@H]2N2CCN[C@@H]3CCC[C@@H]32)cc1 225717999 AOIYHYXUOPSXOB-FUMNGEBKSA-N 314.473 3.341 0 40 DGAB COc1cccnc1NC(=S)N[C@H](C)c1ccc(F)cc1 225475330 FYAYCGBDHQBTMY-SNVBAGLBSA-N 305.378 3.277 0 40 DGAB CCOC(=O)C1CCN(C(=O)CCc2ccccc2Cl)CC1 47465117 LUOSCGGAPZQGBF-UHFFFAOYSA-N 323.820 3.074 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)C(C)C)cc1C(C)C 225233605 YTGMPIWVLWFVLJ-ZDUSSCGKSA-N 313.463 3.450 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccccc1 222748143 KORKQTIQCXECPE-INIZCTEOSA-N 324.424 3.130 0 40 DGAB CCc1noc([C@H]2CCCCN2C(=O)c2ccc(C)s2)n1 41122752 WAOUIGNHVLQFTK-LLVKDONJSA-N 305.403 3.369 0 40 DGAB CCC[C@@H](C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1 223364279 USSYVQHDOIIEKW-GFCCVEGCSA-N 307.415 3.315 0 40 DGAB CNC(=O)Nc1ccc(Cl)c(C(=O)NCc2cccs2)c1 84342624 BEOXFQFVHSNJOL-UHFFFAOYSA-N 323.805 3.083 0 40 DGAB CCC[C@]1(CO)CCN(Cc2ccc(C(=O)O)c(Cl)c2)C1 573983304 SHJCAAIKDQXHOU-INIZCTEOSA-N 311.809 3.023 0 40 DGAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(C)cc1 224693513 XRXAOCYYJZFCSN-UHFFFAOYSA-N 311.353 3.488 0 40 DGAB CC(C)N1CC2(CCN(Cc3nccn3C)CC2)c2ccccc21 96078779 RYHRITROXKOLPM-UHFFFAOYSA-N 324.472 3.182 0 40 DGAB O=C(Nc1cccc(SC(F)F)c1)N[C@@H](CCO)C1CC1 96421919 LUSJOIZJNMZHCF-LBPRGKRZSA-N 316.373 3.284 0 40 DGAB CC(C)CN1C[C@@H](c2ncc(-c3ccccc3F)[nH]2)CC1=O 23367281 FJTSXPRHSAMHDF-LBPRGKRZSA-N 301.365 3.188 0 40 DGAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1ccsc1 96068206 DSFPKVYEMQHWOZ-MRXNPFEDSA-N 317.458 3.100 0 40 DGAB CC(C)n1cc(NC(=O)NC[C@H](C)Oc2ccccc2F)cn1 96447252 LTNQPYGVWYQBJW-LBPRGKRZSA-N 320.368 3.192 0 40 DGAB CC[C@H](CO)NC(=O)Nc1ccc(COC2CCCC2)cc1 96435108 RXBWNUSDGUIJAU-CQSZACIVSA-N 306.406 3.038 0 40 DGAB CN(C)c1cc([C@H]2CCCN2C(=O)Cc2cccs2)ccn1 257317955 VLWSMEQMAKYTGC-OAHLLOKOSA-N 315.442 3.115 0 40 DGAB COC(=O)c1cccc(-c2noc([C@H]3CCO[C@@H]3C(C)C)n2)c1 252481329 CJBCRDJQDMVBDT-UONOGXRCSA-N 316.357 3.052 0 40 DGAB Cc1cc(C)nc(N[C@@H]2CCN(c3ccc(Cl)cc3)C2)n1 540647093 BSTVWSSFXTWBBB-CQSZACIVSA-N 302.809 3.438 0 40 DGAB COCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](C(C)C)OCC[C@@]31C2 257285875 PJHDGJXIAIOBIG-PGYIJGINSA-N 323.477 3.005 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@@H](O)C2)cc1 257336555 YOYPCCHQNKMVNF-MRXNPFEDSA-N 311.381 3.009 0 40 DGAB Clc1cc(Cl)c2c(I)c[nH]c2n1 575440987 FHOCPVJFRDQMBH-UHFFFAOYSA-N 312.925 3.474 0 40 DGAB O=C(Cc1ccsc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55944411 NKKHUSCFAZWKOK-NVXWUHKLSA-N 319.401 3.466 0 40 DGAB COc1ccc(C(=O)NCc2cc[nH]n2)cc1-c1ccccc1 50578165 ZMPLSEKDNWTHIW-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB Cc1ccccc1C1(CNC(=O)c2ccccc2)CCOCC1 55760546 MXIBMNRLCHLQCC-UHFFFAOYSA-N 309.409 3.473 0 40 DGAB O[C@@H](CN1CC[C@H](c2ccccc2)C1)c1cc(F)ccc1F 65604914 OMEWPFPWQIRGJZ-KSSFIOAISA-N 303.352 3.488 0 40 DGAB CC(=O)OC(C)(C)C(=O)NCc1cc(-c2ccsc2)cs1 1775969612 CGXFKLGLPXEIHN-UHFFFAOYSA-N 323.439 3.435 0 40 DGAB CC(=O)Nc1ccc([C@@H]2C=C(c3ccccc3)NC(=S)N2)cc1 5378517 RRZUPVKUJANVAY-KRWDZBQOSA-N 323.421 3.205 0 40 DGAB CCCCC(=O)OCC(=O)Nc1ncc(Cl)cc1Cl 5755856 YQTNENXUYVYEHF-UHFFFAOYSA-N 305.161 3.060 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccccc2Cl)C1 13646480 PCYURQFCTSIWCX-KBPBESRZSA-N 308.853 3.438 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2)c1 13670375 VFHGEFNFHRHIJR-UHFFFAOYSA-N 307.390 3.045 0 40 DGAB Cc1nn(C)cc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 19583696 BLJYQYQXJDYHFC-SFHVURJKSA-N 317.408 3.049 0 40 DGAB COC(=O)CCC(=O)c1ccc(Br)cc1Cl 161095212 DFNUMSQIYLHCDV-UHFFFAOYSA-N 305.555 3.238 0 40 DGAB CO[C@]1(COc2ccccc2C)CCN(Cc2cscn2)C1 643914592 RMQUJHXDZYUKAL-QGZVFWFLSA-N 318.442 3.121 0 40 DGAB COc1ccc(CCNc2ccc(OC)c(OC)c2)cc1OC 1766015 UERKIAYIPYBATR-UHFFFAOYSA-N 317.385 3.376 0 40 DGAB COc1ccc(-c2cc(CNC(=O)Cc3ccccc3)no2)cc1 12638107 SVCAAPYFFSEOJZ-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccoc1 1775977264 HYCGJJUBBZIZDD-HNNXBMFYSA-N 313.378 3.472 0 40 DGAB COCCN(Cc1ccsc1)C(=O)NCc1ccc(F)cc1 42382285 AWFWMUDZIARPKW-UHFFFAOYSA-N 322.405 3.245 0 40 DGAB Cc1cc(CNC(=O)CSc2nc3ccccc3s2)no1 48985447 VSMYSIMJRYDDQH-UHFFFAOYSA-N 319.411 3.001 0 40 DGAB Cc1nc(-n2cccc2)sc1C(=O)NCCc1ccsc1 49511803 YSRBNICOYOTLDN-UHFFFAOYSA-N 317.439 3.276 0 40 DGAB Cc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)c(C)c1 5154387 LEHKRQRZFRSPTE-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccccn1 40090701 ARLCHBNKKHBVEC-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1C 130730 AKBSSBSLSZDLIK-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CNC(=O)c1c(NC(=O)c2ccccc2C)sc2c1CCC2 186969 LEVLUIBRWILNRI-UHFFFAOYSA-N 314.410 3.157 0 40 DGAB CSCC[C@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl 40464401 SLXNGALNGHFUQM-NSHDSACASA-N 321.273 3.032 0 40 DGAB CNC[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 40596153 PKCRJGJQDDWIRR-SNVBAGLBSA-N 301.217 3.065 0 40 DGAB Cc1nc2ccc(NC(=O)NC3CCC(O)CC3)cc2s1 40526420 JWQUTVWWGMUVLE-UHFFFAOYSA-N 305.403 3.030 0 40 DGAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccc(Cl)o1 40541103 PNIVKBPEZRZDJJ-UHFFFAOYSA-N 319.792 3.248 0 40 DGAB CC(C)NC(=O)CCCc1nc(-c2ccccc2Cl)no1 4433526 PYCBJAQNRCPLOU-UHFFFAOYSA-N 307.781 3.237 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2)cc1OC 6332962 LYWIGKXIFYDULD-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB CN(C)c1ccc(C(=O)N[C@@H]2CCSc3ccccc32)cn1 32339717 OFSLJTZIAUXOAD-CQSZACIVSA-N 313.426 3.115 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 364639 AQDAYZSIDFEBHM-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB O=C(Nc1nc(-c2ccc[nH]2)cs1)c1n[nH]c2ccccc12 29353200 HDBBBQZRKWTOGW-UHFFFAOYSA-N 309.354 3.267 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1Cl 32404126 VOZREKZXXSZSGL-GFCCVEGCSA-N 324.833 3.215 0 40 DGAB COc1ccc(C[C@H]2CCCN2C(=O)CC[C@H]2CCCO2)cc1 55613969 UBFPJABHFLLGIA-SJLPKXTDSA-N 317.429 3.188 0 40 DGAB CCN1CCOc2ccc(NC(=O)c3ccc(C)cc3)cc2C1=O 9828147 CDAQZIMOSXSHJS-UHFFFAOYSA-N 324.380 3.102 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cc(F)ccc1F 100189392 RAHLAZRGCVNELR-GUYCJALGSA-N 301.340 3.325 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831787 BTIIZGYDRCRTFM-YWTNHNAXSA-N 309.494 3.311 0 40 DGAB CCN(CC)c1ccc(C(=O)Nc2ccccc2O)c(O)c1 53791303 MPZWRUKTWHCBFK-UHFFFAOYSA-N 300.358 3.196 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 20550598 WTRAMAOHPJAVCL-RNCFNFMXSA-N 302.201 3.220 0 40 DGAB NC(=O)[C@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 1385484 PFOPPXJOFQLSHN-SECBINFHSA-N 320.723 3.433 0 40 DGAB CC(C)CN(C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)C1CCN(C)CC1 107340045 UQTHSVQZUDQCTF-YQQAZPJKSA-N 323.550 3.102 0 40 DGAB O=C(O)c1cc(-c2cnc(-c3cccnc3)nc2)cn1CC1CC1 110069745 AIRMBLVIOBDXLM-UHFFFAOYSA-N 320.352 3.115 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@@H]2CCCC[C@@H]12 58126181 SBFZIIOEAFPINS-HYVNUMGLSA-N 324.428 3.308 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)Nc1nc(-c2ccco2)cs1 44943650 OOIOTOKARNEIMG-ZETCQYMHSA-N 320.292 3.309 0 40 DGAB Cc1cccc(Cn2cccc(C(=O)N3CCC[C@H](C)C3)c2=O)c1 58424652 XCUKILRGAPHYCK-INIZCTEOSA-N 324.424 3.077 0 40 DGAB CC[C@@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CCO1 45152998 UMFJLYLAISDUHL-WBVHZDCISA-N 314.385 3.189 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)c1C 12748927 DKBTTXRKYNKVEM-OAHLLOKOSA-N 312.369 3.140 0 40 DGAB COc1ccc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c(OC)c1 10896060 YUEQGUHOSRARSC-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 3554536 WSQPUGUHYAGPDZ-SFHVURJKSA-N 324.424 3.066 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCCc1ccc(O)cc1 4090406 OGBOHXYUBHDVMN-UHFFFAOYSA-N 308.381 3.165 0 40 DGAB biogenic CC(=O)c1ccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)cc1 13684487 DDGISPGPIZFLAY-RYUDHWBXSA-N 305.447 3.354 0 40 DGAB Cc1ccsc1CNC[C@H]1CCc2nnc(C(C)C)n2C1 69589111 GWTLQXVPLKCCEP-CYBMUJFWSA-N 304.463 3.124 0 40 DGAB CN1CCCN(c2ncnc3sc4c(c23)CCCCC4)CC1 8849905 ICOJWOLUYITXLF-UHFFFAOYSA-N 316.474 3.102 0 40 DGAB COc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccco1 4384051 RNRZWRQVLVMVLI-UHFFFAOYSA-N 302.330 3.135 0 40 DGAB COc1ccc(NC(=O)C[S@](=O)c2cccc(Cl)c2)cc1 5210772 NRORSVRKDPWNBV-OAQYLSRUSA-N 323.801 3.095 0 40 DGAB O=C(Nc1nnc(-c2cccs2)[nH]1)c1cccc(F)c1F 69743316 SEQLHDHAHCGDGM-UHFFFAOYSA-N 306.297 3.064 0 40 DGAB CC(C)(C)c1noc(CCC(=O)Nc2cccc3cnccc23)n1 65612094 QSIHFCMLORAICV-UHFFFAOYSA-N 324.384 3.487 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(F)cc1F 6505726 SDPVDNHKCFKSLY-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB O=C(Cc1ccc(Br)cc1)NCCc1cccs1 17909595 IWUCMPGXLAEWMA-UHFFFAOYSA-N 324.243 3.412 0 40 DGAB O=C(N[C@H]1CCN(c2ccccc2)C1)c1cccc2cc[nH]c12 80086944 RWUGRSJTVKYMMO-HNNXBMFYSA-N 305.381 3.177 0 40 DGAB CCN([C@@H](c1cccnc1)c1cc(C)cc(C)c1)S(C)(=O)=O 80275441 OUICYSRDBBHMQB-KRWDZBQOSA-N 318.442 3.069 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)no1 67888474 MABBJRJHBFXIDG-NKSUMMKUSA-N 311.385 3.051 0 40 DGAB COC[C@@H](C)NC(=S)Nc1ccc(C)cc1Br 16181781 MWLPLJPLUQBKNY-SECBINFHSA-N 317.252 3.079 0 40 DGAB Cc1ccc(NC(=O)N2CCN(Cc3ccccc3)CC2)cc1 19683348 SVNOJEHQCKWTON-UHFFFAOYSA-N 309.413 3.345 0 40 DGAB Cc1ccc(NC(=O)COc2ccc3c(c2)OCCO3)c(C)c1 9314878 FRFHADBFJOVXDQ-UHFFFAOYSA-N 313.353 3.092 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1ccccc1OCC1CC1 96417824 ZSDIUJLNRPKQEM-UHFFFAOYSA-N 314.385 3.410 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@]1(O)CCSC1 96479014 LEMPSHJCHZIEQG-ZUZCIYMTSA-N 314.520 3.268 0 40 DGAB CC(C)Oc1ccc(CNC[C@H](O)c2ccc(F)cc2)cc1 71872758 KJSIPGXHAYJSHB-SFHVURJKSA-N 303.377 3.436 0 40 DGAB COc1cc(C=O)ccc1OCc1ncc(C)c(OC)c1C 71855671 BSKJJSBCCDXKPI-UHFFFAOYSA-N 301.342 3.107 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)COC[C@H]2CCCO2)c1 71890839 LNOCISKVTUNFLE-IUODEOHRSA-N 309.431 3.245 0 40 DGAB COc1cccc(NC(=O)N2CC[C@@H](CN3CCCCC3)C2)c1 75502568 FAUNBOWIGJJHLJ-HNNXBMFYSA-N 317.433 3.035 0 40 DGAB Cn1ccnc1CNc1cccc(-c2ccc3c(c2)CCO3)n1 97147954 FRYJSNZMQVNEDN-UHFFFAOYSA-N 306.369 3.029 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NC[C@@H](O)c3ccco3)s2)o1 97238031 FNCYGOGVNFHDAE-LLVKDONJSA-N 317.366 3.373 0 40 DGAB OC[C@@H](CNCc1cnc(C2CCC2)s1)c1ccccc1 95415536 SZDFAFHXBVQGEQ-OAHLLOKOSA-N 302.443 3.276 0 40 DGAB CC(=O)c1ccccc1C(=O)NCc1ccnc(OC2CCC2)c1 95446128 CRGGHNURCXZSJW-UHFFFAOYSA-N 324.380 3.146 0 40 DGAB Cc1ncsc1CCn1nc(-c2ccc(F)cc2)ccc1=O 78996479 OANFNUMWOUYEOM-UHFFFAOYSA-N 315.373 3.057 0 40 DGAB CC1(C)[C@@H](OC(=O)CCC(=O)c2cccs2)[C@@H]2CCCO[C@H]21 78948626 LPBTZRAVDUPCDT-LYRGGWFBSA-N 322.426 3.458 0 40 DGAB Cc1ncoc1-c1nc(-c2cccc(Br)c2)no1 95996190 GJFOBTMSILHVLL-UHFFFAOYSA-N 306.119 3.463 0 40 DGAB COc1ccc(N(C)C(=O)NC(=S)c2ccccc2)cc1 408733277 WWXGXWJLFCJUSO-UHFFFAOYSA-N 300.383 3.217 0 40 DGAB O=C(O)c1cc(-c2csc(-c3cnccn3)n2)n2ccccc12 110068093 UWDFNTGQBQDKOX-UHFFFAOYSA-N 322.349 3.218 0 40 DGAB CCc1ncc(C(=O)Nc2cc(C(F)(F)F)ccn2)s1 180554935 OLRDZIKIJBIAFU-UHFFFAOYSA-N 301.293 3.372 0 40 DGAB CC[C@@H](C)NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181823964 OVUYVRPGHJDFGC-SNVBAGLBSA-N 306.793 3.203 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2cccc3ccccc23)C[C@@H](C)O1 32647969 KIEIPMXYKQSFNX-RBSFLKMASA-N 313.397 3.243 0 40 DGAB COC(=O)c1ccc(CSc2nncc3ccccc23)o1 48324237 YTZPZKNLFHIAJN-UHFFFAOYSA-N 300.339 3.302 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)N2C(=O)CCCc3ccccc32)n1 227168930 UKSDOPFDIKOZCP-AWEZNQCLSA-N 323.396 3.087 0 40 DGAB COc1ccc(OCCNC(=O)Cc2ccc(C)cc2C)cc1 225157135 RCXOCBRKAXGDOG-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CN1CCC(NC(=S)Nc2ccc(C(F)(F)F)cc2)CC1 225799941 RCCQLIUHRCUSQF-UHFFFAOYSA-N 317.380 3.086 0 40 DGAB CCc1nnc(CN2CCC[C@@H](c3cc(F)ccc3F)C2)o1 191679984 YJDJDEZGRINZIE-LLVKDONJSA-N 307.344 3.290 0 40 DGAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225821320 RWCGHHHUMYFSLM-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2ccccc2F)c1C 223972135 ZLDQUTMGBHRQJX-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C 222861012 ARMKZEZCWXPXGF-HOTGVXAUSA-N 314.458 3.409 0 40 DGAB COc1ccccc1O[C@@H](C)CNC(=O)c1ccc(Cl)o1 96431645 WDAWBTPKSNOHQS-JTQLQIEISA-N 309.749 3.139 0 40 DGAB Cc1cc(C)nc(NCCC(=O)Nc2cccc3[nH]ccc23)n1 95474495 AJKMVHOBUCVNHJ-UHFFFAOYSA-N 309.373 3.015 0 40 DGAB Brc1cc2c(s1)CCN(Cc1ccncc1)C2 95097536 JNFCVKCFGTYFGF-UHFFFAOYSA-N 309.232 3.464 0 40 DGAB COc1cccc2cc(C(=O)Nc3cccc(C(=O)O)c3)oc12 237355490 XIEVFLHUJUCONS-UHFFFAOYSA-N 311.293 3.392 0 40 DGAB c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)nc1 96057913 VHYFCIYTAKNJOJ-IPMKNSEASA-N 316.445 3.020 0 40 DGAB O=C(N[C@H]1CCN2CCC[C@@H]2C1)N(CC1CC1)C1CCCCC1 96403737 YWXCIYZOWCZURQ-FUHWJXTLSA-N 319.493 3.368 0 40 DGAB CC(C)c1nn(C)c2sc(-c3nc([C@@H]4CCOC4)no3)cc12 96462731 CGQVOOYRGPCOSE-SECBINFHSA-N 318.402 3.312 0 40 DGAB Cc1ccc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)o1 96057002 CKHUCMLMMYHWJX-RBUKOAKNSA-N 319.445 3.386 0 40 DGAB O=C(c1cccnc1)N(Cc1ccc(F)cc1)CC(F)(F)F 96425752 UNYMRQMLFXVYTL-UHFFFAOYSA-N 312.266 3.425 0 40 DGAB Cc1cccc(OC[C@H](O)CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 245239735 BDHQHVKEOGPBOF-RDHIYWLCSA-N 303.446 3.149 0 40 DGAB Cc1nc(-c2ccc(N3CCC[C@](C)(F)C3)nc2)nc(O)c1C 583912564 BIELSWWLMCXGDL-KRWDZBQOSA-N 316.380 3.189 0 40 DGAB Cc1cncc([C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257232676 GLXKSQHJUCKZHY-INIZCTEOSA-N 321.424 3.223 0 40 DGAB Cc1cncc([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257202238 ALACQZCNEFRFFJ-OAHLLOKOSA-N 321.428 3.051 0 40 DGAB COc1ccccc1/C=C/CNCCCO[C@H]1CCCCO1 585118481 QGJTZPHBBDRLOZ-YOCVDRLZSA-N 305.418 3.231 0 40 DGAB CO[C@@H](CNC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 96388835 BYTRGJNCOHETAI-HNNXBMFYSA-N 306.312 3.474 0 40 DGAB O=C1CC[C@]2(CCCN(CC3CCCCC3)CC2)N1CCF 585100025 CMUHPNIGYHKJDI-SFHVURJKSA-N 310.457 3.383 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 71910920 SWNCRMNTFYCSNY-MQJDWESPSA-N 306.387 3.242 0 40 DGAB CCOC(=O)CC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1 95635225 GRNQQSYBDFHTSO-UHFFFAOYSA-N 307.346 3.170 0 40 DGAB in-vitro COc1cc(C(=O)NCC(=O)c2cccs2)ccc1Cl 97230164 SZDKKOFIDPDXJG-UHFFFAOYSA-N 309.774 3.023 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccc(OC)cc1 11636634 JSHBHNSAWQKTGM-OAHLLOKOSA-N 315.369 3.500 0 40 DGAB Cc1ccc(OCC(=O)NCCCN2CCCCCC2)cc1C 13673621 SCQXPQIEFHRCLK-UHFFFAOYSA-N 318.461 3.065 0 40 DGAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCCCn1ccnc1 13709499 UDBXBFGQJZLFNK-OAHLLOKOSA-N 323.396 3.010 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1OC 15471975 NJCRWGJDICDPPH-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB Cc1sc2c(C3CCN(C(=O)C4CC4)CC3)nc(C)n2c1C 19561766 LMGVATWALODAKU-UHFFFAOYSA-N 317.458 3.437 0 40 DGAB O=C(Nc1cccc(Cl)c1)N[C@@H]1CCN(c2nccs2)C1 206815611 CUYYJSRWXZNLIQ-GFCCVEGCSA-N 322.821 3.197 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OC[C@H](O)C(F)(F)F 158467384 MMHUDWQWEOYCFT-QMMMGPOBSA-N 317.090 3.498 0 40 DGAB Cc1ccc(-c2nnc(SC[C@H](O)C(F)(F)F)o2)cc1C 157929471 MHSHPENXRBWJEM-JTQLQIEISA-N 318.320 3.369 0 40 DGAB O=C1NC[C@]2(CCCCCCOc3ccccc31)CCCNC2 643567139 SXJAEPCKVSLVIS-LJQANCHMSA-N 316.445 3.129 0 40 DGAB Fc1ccc(Oc2nc(-c3ccncc3)nc3c2CNCC3)cc1 19336080 NNDNEBUWUJIAAR-UHFFFAOYSA-N 322.343 3.116 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 23889536 QCPGIIPCPGBGTQ-UHFFFAOYSA-N 320.352 3.083 0 40 DGAB CCCSc1nnc(CSc2nc(C)cc(C)n2)n1C 2706243 PBUBDIIWGLMBOB-UHFFFAOYSA-N 309.464 3.016 0 40 DGAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 4525591 ICZSHQHXDHAXIS-BJOHPYRUSA-N 314.410 3.433 0 40 DGAB CC(C)Oc1ccc(C(=O)NCC[C@@H](O)c2cccs2)cc1 77113744 RXGVDYKYUAYQPQ-OAHLLOKOSA-N 319.426 3.389 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NCc2ccc(CO)o2)cc1 96461411 YNESJDQQCLIPRO-ZDUSSCGKSA-N 311.385 3.117 0 40 DGAB Cc1ccoc1C(=O)OCc1ccc(C(=O)N2CCCC2)cc1 30967127 JOBFPHZNYIDYDD-UHFFFAOYSA-N 313.353 3.181 0 40 DGAB C[C@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1F 40486050 GVUNBYVKUNAMTB-LBPRGKRZSA-N 318.417 3.123 0 40 DGAB Cc1cccc(C)c1NC(=O)CSc1nnc(C2CC2)o1 7288142 LYFWQCTZEASZRS-UHFFFAOYSA-N 303.387 3.295 0 40 DGAB Cc1ccc(Oc2ccccc2NC(=O)[C@H]2CCC(=O)N2)cc1 31294946 WMNKGDMKVSCGJE-OAHLLOKOSA-N 310.353 3.004 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cc(C)on1 67607980 VBWYZFNATANPJM-CYBMUJFWSA-N 305.403 3.264 0 40 DGAB CCc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)s1 7348319 QGJIKXDHWOJVQP-MRVPVSSYSA-N 311.794 3.160 0 40 DGAB CCCCCC[C@H]1C[C@@](C)(C(=O)CNc2ccccn2)OC1=O 1901955 PDPLZGMSPMHKOY-KSSFIOAISA-N 318.417 3.355 0 40 DGAB CC(=O)Nc1ccc(OCCOc2ccccc2C(C)=O)cc1 3408820 KFEDMXNXYWIKKN-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB COc1cc(OC)cc(C(=O)CCCC2OCC(C)(C)CO2)c1 2518123 AWFSMLQPFQRKMM-UHFFFAOYSA-N 322.401 3.456 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)ccc1Cl 7402197 DMPJUKVTMCWKOC-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB CCCc1nnc(Sc2ccc([N+](=O)[O-])cc2C=O)n1CC 7610265 SFNZYFUSRQDLHB-UHFFFAOYSA-N 320.374 3.122 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(-n2cncn2)cc1 7778153 JIVUOIDAQCUPKM-SFHVURJKSA-N 318.380 3.075 0 40 DGAB Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2ccsc2n1 7494245 DYXUXGDIROAIPJ-UHFFFAOYSA-N 311.410 3.017 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N1c2ccccc2C[C@@H]1C 2764748 CMGWQZOMNUWEJA-NSHDSACASA-N 305.328 3.107 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N(C)Cc2ccsc2)n1 47095394 CSAXRFRIPQCGRP-LBPRGKRZSA-N 320.462 3.039 0 40 DGAB Cc1oc(C)c(C(=O)NCCCc2nc3ccccc3[nH]2)c1C 22490777 JTPXFUUVRXINAK-UHFFFAOYSA-N 311.385 3.444 0 40 DGAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 53388113 PEASXPBVJCODEO-ORAYPTAESA-N 323.392 3.193 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(Cl)c2N2CCOCC2)o1 12542569 QSWIMMYCJKINLW-UHFFFAOYSA-N 320.776 3.330 0 40 DGAB C[C@@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@H]2C)n1 1070361 VMLHWBORKYUJSA-VXGBXAGGSA-N 309.845 3.283 0 40 DGAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@H]1c1cnn(C)c1 106904733 LZBSKHBSNYHBOZ-CJNGLKHVSA-N 323.400 3.368 0 40 DGAB CCOC(=O)c1ccc(NC2=NN(c3ccccc3)C(=O)C2)cc1 3136430 DFTQEFDOPJOHBG-UHFFFAOYSA-N 323.352 3.026 0 40 DGAB Cc1occc1C(=O)NCc1ccc(N2CCC(C)CC2)nc1 61900030 IZPIOCOESAPBME-UHFFFAOYSA-N 313.401 3.149 0 40 DGAB O=C(COC(=O)c1cccs1)Nc1ccc(F)c(Cl)c1 3237589 NAABXQHCCBFTJF-UHFFFAOYSA-N 313.737 3.336 0 40 DGAB O=C(Nc1cccnc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 56352186 QNNUGSCXVYUKJG-CVEARBPZSA-N 315.348 3.263 0 40 DGAB CCC(=O)N1CCCC[C@H]1C(=O)N[C@H](C)c1cc(C)sc1C 58263775 UFSMLAOWLDBNTC-DOMZBBRYSA-N 322.474 3.333 0 40 DGAB FC(F)Oc1ccc2c(c1)CCC[C@@H]2NC(=S)NC1CC1 58468722 VOSWFAAJWFZQCS-ZDUSSCGKSA-N 312.385 3.292 0 40 DGAB O=C(Nc1cccc(Oc2ncccn2)c1)OCC(F)(F)F 48302123 SCFSPRJTDFRMQX-UHFFFAOYSA-N 313.235 3.380 0 40 DGAB Cc1csc(SCC(=O)NCCCc2ccccc2)n1 3504357 IJWNIKIXFMTKEE-UHFFFAOYSA-N 306.456 3.293 0 40 DGAB COCc1nc(C(=O)N2CCCc3cccc(F)c32)cs1 69567706 KQTRXQXFBBXLDA-UHFFFAOYSA-N 306.362 3.022 0 40 DGAB COc1ccc([C@@H](NC2CCN(C)CC2)c2ccccc2)cc1 13718488 OCFDLTIXORMBSD-FQEVSTJZSA-N 310.441 3.468 0 40 DGAB COc1c(Cl)cccc1NC(=O)NCc1ccccc1CO 69037215 DUJVDAUGZFGCDW-UHFFFAOYSA-N 320.776 3.163 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H](n4ccnc4)C3)c12 69659985 BQYNHQDWPBGXGX-MRXNPFEDSA-N 322.412 3.079 0 40 DGAB Cc1cnc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)cn1 14185193 FWBZAHAYLXQXLL-JTQLQIEISA-N 309.291 3.295 0 40 DGAB CCc1nc(CCNC(=O)COC2CCCCC2)sc1C 65611297 WTQHKIXMTQEHEM-UHFFFAOYSA-N 310.463 3.022 0 40 DGAB CCCCOc1ccc(CON(C(C)=O)C(C)=O)cc1Cl 4856655 BONVNGMACFNHIK-UHFFFAOYSA-N 313.781 3.346 0 40 DGAB CC(=O)Nc1cccc(-n2c(=S)[nH]c3ccccc3c2=O)c1 6855307 PTVAZNIEODZEQT-UHFFFAOYSA-N 311.366 3.007 0 40 DGAB c1ccc([C@@H]2CCCN(c3cncc(-n4cccn4)n3)CC2)cc1 66818490 JHUHBTSOIHUHQO-QGZVFWFLSA-N 319.412 3.436 0 40 DGAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5863102 RFCNCFPDAJVEFA-LBPRGKRZSA-N 319.430 3.442 0 40 DGAB CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccc2nccnc2c1 4942458 RYXADPOVJWWCAF-MRXNPFEDSA-N 322.393 3.389 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1ccc2ccccc2n1 6992400 AZBCYUVEUFOULE-UHFFFAOYSA-N 319.408 3.226 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)s1 6912643 DLHHYMMYWUCLDJ-UHFFFAOYSA-N 304.390 3.158 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Sc2cnnc3ccccc23)no1 8329039 IIFBIDAGKBVTOC-JTQLQIEISA-N 314.370 3.046 0 40 DGAB COc1cccc(CCC(=O)NCc2ccc(F)cc2)c1OC 8304251 LEJIEZOFKXRDLW-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB CO[C@@]1(C)C[C@H](N(C)C(=O)Cc2noc3ccccc23)C1(C)C 75295421 RVUZRPGEQNPANG-YJBOKZPZSA-N 316.401 3.032 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cc(C)c(C)cc1C 89948812 ANJFSDCCNSLWOK-PKOBYXMFSA-N 302.462 3.348 0 40 DGAB C[C@H]1CC[C@H](C)N1C(=O)c1cnn2c(-c3ccccc3)ccnc12 89922747 PZEVFQVKZCHFFG-KBPBESRZSA-N 320.396 3.409 0 40 DGAB COc1ccc(N)cc1NC(=O)COc1ccccc1C(C)C 19736144 ZKGSJJHSPFLNCD-UHFFFAOYSA-N 314.385 3.418 0 40 DGAB C[C@@](O)(CNC(=O)c1cc2cccc(F)c2o1)c1ccsc1 76085065 ZDPRJLLIUQDXSR-MRXNPFEDSA-N 319.357 3.271 0 40 DGAB C[C@@H](NC(=O)CSC[C@H](O)c1ccccc1)c1ccccc1 60128295 JBPDTOXKZABCGD-PBHICJAKSA-N 315.438 3.331 0 40 DGAB Cc1ccc([C@@H]2CCCCCN2C(=O)[C@@H](C)n2cccn2)o1 72291598 OOWXPZXDGZPODL-CABCVRRESA-N 301.390 3.489 0 40 DGAB CSCC[C@@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1 72290928 MRSYXEQNALKHJZ-SNVBAGLBSA-N 322.459 3.468 0 40 DGAB Cc1nc(C[S@](=O)Cc2nc(C(C)(C)C)cs2)oc1C 97083651 WWLWFHRHLNCOPX-HXUWFJFHSA-N 312.460 3.494 0 40 DGAB O=C(Nc1ncccc1Cl)c1ccc(Br)cn1 97046955 SKPGBCYIUGKOAG-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB Cc1nc(C[S@@](=O)Cc2ccc(OC(F)F)cc2)oc1C 97083611 AVMCYVHKESKMPU-OAQYLSRUSA-N 315.341 3.342 0 40 DGAB COc1ccc([C@@H](C)NCc2cnn(C)c2)c(Br)c1 97034454 MCBZSHZAHSQCGX-SNVBAGLBSA-N 324.222 3.042 0 40 DGAB CC(C)(C)Oc1ccncc1NC(=O)[C@@H]1CC1(Cl)Cl 84240892 MWMGHQOPFMNOIF-QMMMGPOBSA-N 303.189 3.391 0 40 DGAB COC(=O)[C@@H](C)SCc1coc(-c2ccc(F)c(F)c2)n1 97165353 ZCVDJTDEKZNVOT-MRVPVSSYSA-N 313.325 3.415 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@@H](CCO)C1 84522260 DSVGVTKPBACROQ-KRWDZBQOSA-N 323.436 3.440 0 40 DGAB C[C@@H](Oc1ccc(-n2cnnn2)cc1)c1ncc(C(C)(C)C)o1 84667921 WCOHRIZHVBGMSI-LLVKDONJSA-N 313.361 3.088 0 40 DGAB NC(=O)CCC1CCN(C(=O)c2ccc3sccc3c2)CC1 95453574 JXKDEMOMGWEMEC-UHFFFAOYSA-N 316.426 3.019 0 40 DGAB CCOC(=O)[C@@H]1CC[C@@H](NCc2ccccc2COC)[C@H](C)C1 95450969 HLQQCQCOKOEGJJ-IIDMSEBBSA-N 319.445 3.291 0 40 DGAB CCOC(=O)[C@@H]1CC[C@H](NCc2ccccc2COC)[C@H](C)C1 95450967 HLQQCQCOKOEGJJ-RKVPGOIHSA-N 319.445 3.291 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 85387394 VZEHTFKFVMELPT-XYJFISCASA-N 317.477 3.346 0 40 DGAB CCc1onc(C)c1NCc1ccc(OC)c(OC)c1OC 95990354 XLWSNEUHGIYJLA-UHFFFAOYSA-N 306.362 3.183 0 40 DGAB CCC(O)(CC)CN1CCC[C@@H](c2nc3ccccc3[nH]2)C1 95992546 RLLVKDULSXWWRS-CQSZACIVSA-N 301.434 3.293 0 40 DGAB CS[C@@H](C)CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 89340941 PLBFDBSTNIYPHQ-UFBFGSQYSA-N 322.257 3.285 0 40 DGAB CCNC(=O)c1ccc(C)c(NCCCOCC(F)(F)F)c1 75093248 IYPDRLVHDHBOBT-UHFFFAOYSA-N 318.339 3.126 0 40 DGAB O=C(NCc1ccnc2ccccc12)[C@@H]1CCOc2ccccc21 75093820 DGJCAUDWUNDUQD-QGZVFWFLSA-N 318.376 3.417 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)cc1 36635566 NFHRRZPGUMCRFV-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB CCc1ccc(CC(=O)NCc2ccc(OC)c(OC)c2)cc1 129118268 YQZLKURTLJJWJQ-UHFFFAOYSA-N 313.397 3.125 0 40 DGAB Cc1cc(C(=O)NC2CCCCC2)nc(N2CCCCCC2)n1 72241482 WJFBNGACPMLAKK-UHFFFAOYSA-N 316.449 3.228 0 40 DGAB O=C(OC[C@H]1CCN1Cc1ccccc1)c1nccc2occc12 1525937518 SHQSMRFSBKWJKZ-OAHLLOKOSA-N 322.364 3.259 0 40 DGAB O=C(Nc1ccccc1O)c1ccc(OC[C@@H]2CCCO2)cc1 36626750 ZZOGEVLISQKXJC-HNNXBMFYSA-N 313.353 3.202 0 40 DGAB COc1ccccc1CN(C)C(=O)COc1ccc(C)c(C)c1 38753715 TVSILNWIJAGSDP-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB COc1ccc(NC(=S)NCCCOC(C)C)cc1Cl 225374819 GCBWUWZCCGNVIJ-UHFFFAOYSA-N 316.854 3.450 0 40 DGAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)c1cccs1 225245698 PHAXBRLQIGIKGQ-NTEUORMPSA-N 319.455 3.286 0 40 DGAB CO[C@@H]1CCCC[C@@H]1N[C@@H](C)CC(=O)Nc1ccccc1C 195541084 VJVNDDABPNKQBI-BHYGNILZSA-N 304.434 3.259 0 40 DGAB C[C@@H](NCC(=O)NCc1ccco1)c1ccc2c(c1)CCCC2 49590362 PNLBFGDBGWVKLS-CQSZACIVSA-N 312.413 3.125 0 40 DGAB COC(=O)c1nc(NC(=O)[C@H](C)n2cccc2)sc1C(C)C 575443354 VIYPFUUPBHPKDW-JTQLQIEISA-N 321.402 3.054 0 40 DGAB O=C(CCC(F)(F)F)N[C@H]1CCN(c2cccc(Cl)c2)C1 96456422 UAOJPLKAFPVXJW-NSHDSACASA-N 320.742 3.377 0 40 DGAB CCS(=O)(=O)C(Cl)(Cl)C(=O)c1ccc(Cl)cc1 96518127 HNNOHAOTWMDGFF-UHFFFAOYSA-N 315.605 3.089 0 40 DGAB C[C@@H](Cc1ccc(Cl)cc1)NCCc1nnc2ccccn12 91266178 HRWYDZJLDLUKCH-ZDUSSCGKSA-N 314.820 3.146 0 40 DGAB CCCCc1nc(CNc2ccccc2N(C)C(C)=O)no1 96427554 PMNLVRHZVCVZSV-UHFFFAOYSA-N 302.378 3.007 0 40 DGAB CN(C[C@@H]1CCC[C@@H]2CN(Cc3nccs3)C[C@@H]21)C1CC1 96081899 QSCYHQQWRLCXLV-SQWLQELKSA-N 305.491 3.085 0 40 DGAB Cc1ccc(NC(=O)c2cccnc2O[C@@H]2CCOC2)cc1C 244998795 KTTHNTBVYQHOBG-OAHLLOKOSA-N 312.369 3.118 0 40 DGAB COc1ccccc1CC(=O)N1CCC[C@@H]1CCc1ccncc1 257244680 IMIXQYPLQHSGNS-GOSISDBHSA-N 324.424 3.257 0 40 DGAB COc1ccccc1C(=O)N1CCC(Cc2ccnc(C)c2)CC1 257319051 VQLPICDLBCAXSO-UHFFFAOYSA-N 324.424 3.494 0 40 DGAB FC(F)(F)c1cccnc1Nc1nccc(C2CCNCC2)n1 257329804 XLPIAWUSSQDVPA-UHFFFAOYSA-N 323.322 3.101 0 40 DGAB Cc1nc(CCNc2cc3c(cc2Cl)NC(=O)CO3)cs1 390833988 QBFVIVYJWAUJOT-UHFFFAOYSA-N 323.805 3.090 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 55052311 LFFVVSLODBWICQ-GETOMWPZSA-N 323.396 3.262 0 40 DGAB CCCCn1nccc1NC(=O)[C@H]1Cc2ccccc2S1 58178919 FWISOLLIJJIYJJ-CQSZACIVSA-N 301.415 3.339 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)NCc2nc(C)c(C)s2)C1 76477554 LRKMESHHZNEOMH-NEPJUHHUSA-N 313.492 3.233 0 40 DGAB CC[C@@H]1N(C(=O)OCc2ccccc2)CCC[C@@]12CCCN2 91303096 JRDBKLGLOKKWDZ-WMZOPIPTSA-N 302.418 3.320 0 40 DGAB N[C@@H](CC(=O)O)Cc1ccccc1-c1cccc(Cl)c1F 1772714769 SOWJXAOVBHHVEZ-LLVKDONJSA-N 307.752 3.491 0 40 DGAB Cc1ccc([C@@H]2SCC(=O)N2c2ccc(C(=O)O)cc2)cc1 5546328 BOBNDQGZUIJXTI-INIZCTEOSA-N 313.378 3.472 0 40 DGAB C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 14483499 IJUKFTGBKQJNQC-NSHDSACASA-N 317.772 3.489 0 40 DGAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccc(C)cc23)cc1 5928856 QVGMCDLRKDXWBB-SFHVURJKSA-N 324.405 3.188 0 40 DGAB C[C@@H]1CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C[C@@H](C)O1 19497528 KQZPATQNVMNTKR-IOASZLSFSA-N 315.417 3.024 0 40 DGAB NC[C@H]1CC[C@H]([C@@H](NC(=O)c2ccccc2)c2ccccn2)CC1 257315597 VCCBWXJLVRBABR-GPMSIDNRSA-N 323.440 3.318 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccnc(Cl)c1 28692149 NKCLSUCAMBDACY-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB Cc1cccc(NC(=O)Nc2c(C)nc3c(C)cccn3c2=O)c1 11694599 JFMWAZWLMKYDMV-UHFFFAOYSA-N 322.368 3.264 0 40 DGAB Cc1cccc(NC(=O)Nc2c(C)nc3ccccn3c2=O)c1C 13707543 DOOKKBSLAUZRHT-UHFFFAOYSA-N 322.368 3.264 0 40 DGAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(C)cc2)C1=O 20266007 NWSZRTIMYYANRW-GXDHUFHOSA-N 304.415 3.331 0 40 DGAB CCOC(=O)NCC1CCN(Cc2ccccc2SC)CC1 43990927 XEJOICQYBHUXTJ-UHFFFAOYSA-N 322.474 3.367 0 40 DGAB COC(=O)CCCCC(=O)c1c(F)c(F)c(F)c(F)c1F 575358714 OYKMVYJVGIUMFN-UHFFFAOYSA-N 310.218 3.298 0 40 DGAB O=C(O)CSc1nc(-c2ccccc2)nc2c1CCCC2 76327 JCINOIXFFHAMFR-UHFFFAOYSA-N 300.383 3.199 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)o2)c(OC)c1 40462241 WUVQXFJGDWTEAK-LBPRGKRZSA-N 303.358 3.025 0 40 DGAB CN(C)Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)O 1611291 ZWXCGTXKOIFWGX-UHFFFAOYSA-N 315.156 3.408 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccccc2OC)c(OC)c1 1918832 YVPVPBDQACHMSR-DHZHZOJOSA-N 313.353 3.364 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Cl 3507164 DIPJKMDKCPCACH-SMDDNHRTSA-N 309.793 3.192 0 40 DGAB CSc1nc2c(c(=O)n1CCc1ccccc1)S[C@@H](C)C2 4265125 OYFBUHYOSJDLIE-NSHDSACASA-N 318.467 3.245 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Cc3cccc(C)c3)C2=O)cc1 259378 YBYCTZRTAMKPDH-OAHLLOKOSA-N 309.365 3.126 0 40 DGAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 4882577 PLCNUINTSSQPHW-ZXFUBFMLSA-N 317.408 3.495 0 40 DGAB COc1cc(NC(=O)c2cccc(N(C)C)c2)cc(OC)c1 4903008 BFZOFGMCNOEVQK-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(C(F)(F)F)cc1 101474244 UCVNVGZSQIZSQX-STQMWFEESA-N 309.287 3.157 0 40 DGAB Cc1ccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@H](c3ccco3)C2)cc1 385989 OUPZKVPAJKDOHG-WMZOPIPTSA-N 324.380 3.445 0 40 DGAB COC(=O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885951 SMYPSJKNGDSFNY-QGZVFWFLSA-N 322.364 3.202 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccncc1)C1CC1 46043121 JOMINPGEZAOQBV-UHFFFAOYSA-N 318.380 3.277 0 40 DGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1C1CCCCC1 485965 JMQVIZOVQCCONX-KRWDZBQOSA-N 323.396 3.190 0 40 DGAB biogenic COc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccc(F)cc3)cnc12 532181 DNHMZMJICBEMMB-UHFFFAOYSA-N 323.327 3.074 0 40 DGAB Cc1nc2sc([C@H](c3cccs3)N3CCCC3)c(O)n2n1 41637190 DZWHFVSOEMQLFY-NSHDSACASA-N 320.443 3.052 0 40 DGAB COc1ccc(OC[C@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20483379 CAYPNDUXECLHSH-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB c1ccc(Cc2nnc(N3CCOCC3)c3ccccc23)cc1 1393430 KUONNKNGTOXYDF-UHFFFAOYSA-N 305.381 3.057 0 40 DGAB Cc1nc(NC(=O)c2ccc(F)cc2)sc1-c1nccn1C 25062336 JEAXXMBBCSCBQL-UHFFFAOYSA-N 316.361 3.243 0 40 DGAB O=C(Nc1ncn(Cc2cccc(Cl)c2)n1)C1CCCCC1 28306154 QVHFEWAXJPEPGJ-UHFFFAOYSA-N 318.808 3.499 0 40 DGAB C[C@H](NC(=O)CN1CCCc2cc(F)cc(F)c21)c1ccco1 26726252 GEDNXAZMIXQANJ-NSHDSACASA-N 320.339 3.188 0 40 DGAB Cc1ccc(SCCC(=O)Nc2cccc(C(N)=O)c2)cc1 10031168 DDMWQNURMKVMCG-UHFFFAOYSA-N 314.410 3.215 0 40 DGAB C[C@@H](c1ccccc1F)N(C(=O)Nc1nncs1)C1CC1 58145074 LZDLTXGZQUPFAN-VIFPVBQESA-N 306.366 3.435 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1C 44874655 VOWBIHLVDUMWFQ-INIZCTEOSA-N 320.396 3.323 0 40 DGAB CC(C)CC(=O)N1CCC(NC(=O)c2ccc(Cl)cc2)CC1 58283196 NLDVGAYHZZPBAC-UHFFFAOYSA-N 322.836 3.107 0 40 DGAB CCNC(=O)CSc1nnc(Nc2ccccc2CC)s1 10344949 GYBYJABKIZUHJD-UHFFFAOYSA-N 322.459 3.072 0 40 DGAB CCOC(=O)c1ccoc1COc1ccc(C(C)=O)cc1OC 58378494 HJTIMMJKGKYMHR-UHFFFAOYSA-N 318.325 3.247 0 40 DGAB CNc1snc(C)c1C(=O)N1CC[C@@H](c2ccccc2)C1 58341889 CYEAEZUAMUCSBA-CYBMUJFWSA-N 301.415 3.123 0 40 DGAB Cc1cccc(C(=O)c2cccc(I)c2)n1 45028479 KUNZISMGPVZYGP-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB Cc1nc2ccccc2n1CCCNC(=O)c1cc(Cl)c[nH]1 48234516 DZDHHHWSPVRUBO-UHFFFAOYSA-N 316.792 3.146 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NCc2ccco2)c(C)c1 3499396 XGZYURFCKLDEHI-UHFFFAOYSA-N 318.398 3.015 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)OCC(=O)c1ccc[nH]1 3441490 SANLNMRARYGAFR-UHFFFAOYSA-N 312.152 3.290 0 40 DGAB COc1cc(C(=O)Nc2cc(F)ccc2C)cc(OC)c1OC 3566368 BQDWFBNDIJERDB-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB Cc1cc(NC(=O)c2ccc(NC(=O)NC(C)C)cc2)ccn1 69533552 JJEYDMPIUHBBRY-UHFFFAOYSA-N 312.373 3.172 0 40 DGAB COc1ccc2cc(S(=O)(=O)N3CCCC[C@H]3C)ccc2c1 6183152 UTDLBBNCPPFBRU-CYBMUJFWSA-N 319.426 3.412 0 40 DGAB CN(C)C1(c2nnnn2-c2cccc(Cl)c2)CCCCC1 4491681 VHMPRERYHHNAQU-UHFFFAOYSA-N 305.813 3.037 0 40 DGAB Cc1ccc(SCCNC(=O)COc2ccc(F)cc2)cc1 14181770 LVOUVGAIGPYPRW-UHFFFAOYSA-N 319.401 3.421 0 40 DGAB CCOc1ccc2nc(NC(=O)c3snnc3C)sc2c1 4584562 NWNWNPGONGQNKI-UHFFFAOYSA-N 320.399 3.107 0 40 DGAB O[C@@H](COc1cc(Cl)ccc1Cl)CN1CCCCC1 6790648 VVSOPLKCVXOPGR-GFCCVEGCSA-N 304.217 3.219 0 40 DGAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCCC1 69127963 LQKPZTLPAOATPD-CQSZACIVSA-N 316.445 3.115 0 40 DGAB Cc1n[nH]cc1CNc1nn2cc(-c3ccccc3)nc2s1 97160186 NVACLNZTYIRFQM-UHFFFAOYSA-N 310.386 3.101 0 40 DGAB Cc1cc(C(=O)Nc2cc(CCc3ccccc3C)n[nH]2)on1 97108311 BQRYFOSJARKSQJ-UHFFFAOYSA-N 310.357 3.052 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)c3ccsc3)C2)n[nH]1 76060088 QMHIEHHEXVZYDT-STQMWFEESA-N 303.431 3.289 0 40 DGAB CCCN1CCN[C@H](Cc2cccc(-c3cccs3)c2)C1=O 72352734 MDGMRAAUSWTMSQ-MRXNPFEDSA-N 314.454 3.168 0 40 DGAB O=c1ccn(Cc2ccn(-c3ccccc3)n2)c2ccsc12 84576729 IVJCKNZROYFGAC-UHFFFAOYSA-N 307.378 3.297 0 40 DGAB O=S(=O)(CCCNc1ccc(Cl)cn1)c1ccccc1 78655179 CQXMENSSOHQNEV-UHFFFAOYSA-N 310.806 3.011 0 40 DGAB CC(C)(C)c1nccc(N[C@H]2CCO[C@]3(CCSC3)C2)n1 95426402 XXRPMEOECQTLJF-BLLLJJGKSA-N 307.463 3.241 0 40 DGAB CC(C)[C@@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)c2ccccc2N1 78994651 NUKRWMJRBODUOZ-INIZCTEOSA-N 310.401 3.384 0 40 DGAB CC(C)[C@@H](C)SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 79080511 JSTHZVSMODCMIV-GFCCVEGCSA-N 308.447 3.105 0 40 DGAB CC(C)(C)SCCCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1 95973782 ZDLZVRFXHFCUGL-PBHICJAKSA-N 313.507 3.452 0 40 DGAB O=C(O)/C=C/c1cnc(/C=C/c2ccc3c(c2)OCCO3)s1 79943463 CCEVUMLYPRKHCP-BUSIMMOISA-N 315.350 3.183 0 40 DGAB Cc1nn(C)c(C)c1OCc1nnc(-c2ccc(Cl)cc2)o1 89512360 LNCVLRCFVXKNJM-UHFFFAOYSA-N 318.764 3.319 0 40 DGAB COc1ccc(OC)c(C(=S)NCc2cccc(C)c2)c1 408572162 HDSLLOJHYQTUNT-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CCn1c(C)cc(=O)cc1O 1547212344 JFWUWSHREZFDDK-UHFFFAOYSA-N 300.333 3.034 0 40 DGAB COc1cc(Cc2nccc3cc(O)c(OC)cc23)ccc1O 65740205 SSLURVVRTRZFQY-UHFFFAOYSA-N 311.337 3.254 0 40 DGAB in-vitro CCCCOc1ccc(S(=O)(=O)NCC)c2ccccc12 31903877 WFWGYYSEXQLBMB-UHFFFAOYSA-N 307.415 3.317 0 40 DGAB O=C1C[C@H](CNCc2cc3ccccc3s2)CN1C1CC1 517159418 QFACCYUSCNPOJX-GFCCVEGCSA-N 300.427 3.002 0 40 DGAB CC(=O)N1CC[C@H](c2nc(C)cc(Oc3ccccc3F)n2)C1 72383535 WOLPXBRRZUIREA-ZDUSSCGKSA-N 315.348 3.052 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 72227975 WEZSOCJZLLOQNL-KBPBESRZSA-N 307.180 3.409 0 40 DGAB COCCNc1c(C)c(C)nc2c(-c3ccccc3)c(C)nn12 72341693 RUETWWXBSYPBOG-UHFFFAOYSA-N 310.401 3.380 0 40 DGAB O=C(NCCSCc1cccs1)[C@H]1C[C@@H]1c1ccco1 49398269 UCRZDQGAEWONDV-STQMWFEESA-N 307.440 3.494 0 40 DGAB COc1ccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225059417 DVGZFSJHXWOSCZ-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)n1 225731818 UYGHSBNXHZUJRS-KBPBESRZSA-N 320.506 3.044 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2cccs2)cc1Cl 224190244 DEGFKVMHRLRNNB-UHFFFAOYSA-N 309.818 3.448 0 40 DGAB CC(C)n1nccc1NC(=O)[C@]1(C)CC(c2cccs2)=NO1 226747665 ZZIXJWQMCGLQFD-HNNXBMFYSA-N 318.402 3.047 0 40 DGAB Cc1ccc(C[C@H](C)NC(=O)c2ccc3c(c2)OCO3)c(C)c1 524566878 DGRUEPOEADQEEH-AWEZNQCLSA-N 311.381 3.393 0 40 DGAB CCn1cc(CNc2ccc(Cl)c(C[S@](C)=O)c2)cn1 195559013 LEZLBCMZYFNSJS-FQEVSTJZSA-N 311.838 3.047 0 40 DGAB CCCCCCN/C(C)=C/C(=O)Nc1ccccc1C(=O)OC 227163486 ONMQAUPTACOHNH-BUHFOSPRSA-N 318.417 3.485 0 40 DGAB OC[C@H](Cc1ccc(O)cc1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 190515884 HOWLDFUQVVQJOQ-RDBSUJKOSA-N 317.351 3.006 0 40 DGAB CC[C@](Cl)([C@@H](O)c1ccc(Cl)cc1)S(=O)(=O)CC 96520704 GOYUFTAHCUDMCK-NWDGAFQWSA-N 311.230 3.153 0 40 DGAB CC(C)c1nnc2n1C[C@@H](NCc1cc3ccccc3o1)CC2 97199497 OIKJFSUNNREUGB-AWEZNQCLSA-N 310.401 3.252 0 40 DGAB CCn1cc2c(n1)CN(Cc1ccc(C)s1)C[C@@H]2COC 96068681 DAGJJOWFPYSMQI-CYBMUJFWSA-N 305.447 3.019 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(-c2cccnc2)n[nH]1 96117138 DEYFTTCGGZBUOE-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB C[C@@H](CC(=O)c1ccccc1F)C(=O)N1CCc2cnccc21 96431127 RDFXCHMGUCFGHR-LBPRGKRZSA-N 312.344 3.019 0 40 DGAB O=C(CC1CC1)N1C[C@H]2CCC[C@@]2(COCc2ccccn2)C1 96109349 SLQIBYXORHONSW-APWZRJJASA-N 314.429 3.027 0 40 DGAB N[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@H]1OCc1ccccc1 242649023 RRNLSOSWIHMGHJ-FCGDIQPGSA-N 302.462 3.374 0 40 DGAB O=c1n(Cc2ccc(F)cc2)nc(-c2cccs2)n1C1CC1 90591219 SIJPIFPUHNWSGF-UHFFFAOYSA-N 315.373 3.296 0 40 DGAB O[C@@]1(COc2ccccc2F)CCCN(C2CCCC2)CC1 585281623 NLLIPOXKYYBQBL-SFHVURJKSA-N 307.409 3.364 0 40 DGAB COC(=O)/C(NC(=O)OC(C)(C)C)=C1\CCc2ccccc2C1 698518187 FRMKKVFUWVSFSK-PFONDFGASA-N 317.385 3.127 0 40 DGAB O=C(NCCc1nccs1)N(CC1CC1)C1CCCCC1 69809332 HAFOUQAHTMHCEU-UHFFFAOYSA-N 307.463 3.440 0 40 DGAB O=C1N[C@@H](c2csc(-c3cccs3)n2)Nc2ncccc21 69351122 BUKTVEYDDNHPQK-LBPRGKRZSA-N 314.395 3.121 0 40 DGAB CCc1ccccc1NC(=O)CNc1cc(CO)ccc1Cl 69617525 IXXHWFANNUNGGQ-UHFFFAOYSA-N 318.804 3.445 0 40 DGAB CCc1ccccc1NC(=O)COc1ccc(C=O)cc1OC 261801 ZXYCUFJUJCEKMK-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB CC(=O)c1cc(Br)cc(Cl)c1OCCCO 97375661 HROBPHZCJKXEHF-UHFFFAOYSA-N 307.571 3.066 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCc1nc2ccccc2[nH]1 104741834 AXNHBEJFIUUHHC-KKUMJFAQSA-N 311.429 3.438 0 40 DGAB Cc1cccc(C(=O)NCCCCNC(=O)c2cccc(C)c2)c1 5619443 LRUWDVUHGBBNOB-UHFFFAOYSA-N 324.424 3.243 0 40 DGAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(F)ccc1F 15332111 BMDNKMDGUOFTQZ-VIFPVBQESA-N 321.279 3.100 0 40 DGAB CC(=O)Oc1c(C(C)=O)c2sc(=O)oc2c2ccccc12 16321883 HATCDIVTHVBIIA-UHFFFAOYSA-N 302.307 3.136 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1ccc2c(c1)CCCC2)[C@@H]1C[C@H]31 169680995 YXLHJRQJKUYGQR-VWQYPGANSA-N 319.404 3.123 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccnc(OCC3CC3)c2)on1 253401455 MYXJYUBURDHRQA-UHFFFAOYSA-N 315.373 3.408 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ccncc2Cl)C1 2087130932 PFMHCEPVEHVKLH-GFCCVEGCSA-N 309.841 3.208 0 40 DGAB CCc1nccn1CC1CN(c2ccc3c(C)cc(C)nc3n2)C1 2087145005 CYNULSBOAWYKMH-UHFFFAOYSA-N 321.428 3.142 0 40 DGAB c1cnc(OC[C@@H]2CCCN(c3ccc4ccccc4n3)C2)nc1 1775971736 UHJGJGBMIMMHDR-OAHLLOKOSA-N 320.396 3.320 0 40 DGAB CCOc1ccc(OCCNC(=O)NC2CCCCC2)cc1 35597158 QJEBOZFFFWDWBQ-UHFFFAOYSA-N 306.406 3.096 0 40 DGAB Cc1ccc2[nH]c(C(=O)NCCCN3CCC(C)CC3)cc2c1 30565065 RBKUMBMEXBQGKC-UHFFFAOYSA-N 313.445 3.328 0 40 DGAB Cc1cc2occ(CC(=O)N3C[C@H](C)O[C@@H](C)C3)c2cc1C 30807307 WRUXWEHSNACVBU-KBPBESRZSA-N 301.386 3.228 0 40 DGAB CCCOc1cc(S(=O)(=O)N[C@@H](C)CC)ccc1Cl 11614065 VJPBSFOWAQUCAU-JTQLQIEISA-N 305.827 3.206 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(C=O)c1 4201591 RFYNDGSGYVSRLI-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB CCCCC1=NN(C(=O)c2cocc2C)[C@](O)(C(F)(F)F)C1 4975312 LWPGAIQNWPBFGL-CYBMUJFWSA-N 318.295 3.231 0 40 DGAB C[C@@]12CCNC(=O)C=C1CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 4983563 UJPILRQDXJVBHX-DEUBSTCCSA-N 303.446 3.036 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N[C@@H]1CCSc2ccccc21 32338781 CRUKCYQIGSRKJU-LLVKDONJSA-N 321.833 3.349 0 40 DGAB CN(Cc1nnc(-c2ccccc2)n1C)OCc1ccccc1 90582572 PFZUPOOGEYTRML-UHFFFAOYSA-N 308.385 3.046 0 40 DGAB Cc1ccccc1Nc1nn(CN2CCOCC2)c(=S)s1 21319558 IKDMANXBGBWECR-UHFFFAOYSA-N 322.459 3.016 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cccc(N(C)C)c2)c1 2624436 FGAGBSGECQAVCM-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB COc1ccc(NC(=O)NC[C@H](O)c2ccc(Cl)cc2)cc1 32779488 OVKNDRRZKZNZQU-HNNXBMFYSA-N 320.776 3.204 0 40 DGAB Cc1nc(SCC(=O)Nc2ccc(F)cc2F)nc(C)c1C 2623914 AFOANDCLUBLUKO-UHFFFAOYSA-N 323.368 3.411 0 40 DGAB COc1cc(C(=O)Nc2cc(C)ccn2)ccc1OC(F)F 9835506 KFNAORHVNPTMSB-UHFFFAOYSA-N 308.284 3.252 0 40 DGAB O=C(CC(=O)c1ccccc1)C(=O)Nc1ccc(Cl)cc1 102933447 SKIOOBJLSYWHMF-UHFFFAOYSA-N 301.729 3.121 0 40 DGAB Cc1ccc(=O)n(Cc2nc(C)c(-c3ccc(Cl)cc3)o2)n1 89610834 PVLOAZAFKHQZQD-UHFFFAOYSA-N 315.760 3.217 0 40 DGAB CCN(CC)[C@H](CNC(=O)CC(F)(F)F)c1ccsc1 46945917 LYVZNUYFRXUUKL-LLVKDONJSA-N 308.369 3.200 0 40 DGAB O=CNc1ccc(C(=O)N(CCC(F)(F)F)C2CCC2)cc1 89781028 MSDHKFYUFCYJJF-UHFFFAOYSA-N 314.307 3.202 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Cn2cc(Cl)cn2)cc1 28230875 CIPMKYHOMDHQSP-SNVBAGLBSA-N 305.765 3.014 0 40 DGAB CCN(C)c1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 76021215 GURDGGCWAJQDPP-XHSDSOJGSA-N 317.433 3.078 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc3cc(C)ccc3o2)[C@@H](C)C1 78897257 JYPVYZZBVRMPJQ-WMLDXEAASA-N 314.429 3.478 0 40 DGAB CN(C)c1ccc(NC(=O)c2ccc(Br)o2)cc1 1284931 LQMCBOJAOLNTHE-UHFFFAOYSA-N 309.163 3.360 0 40 DGAB Clc1ccc([C@H]2C=C(c3cccnc3)Nc3ncnn32)cc1 101353398 JMVADYSALAORNI-OAHLLOKOSA-N 309.760 3.383 0 40 DGAB CCOC(=O)n1c(=O)n(Cc2cccc(C)c2)c2ccccc21 1397813 PUBGOSURGOTCNE-UHFFFAOYSA-N 310.353 3.164 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c1 102073084 YUQSPGRLVDNISK-ZIQGKUQCSA-N 311.381 3.011 0 40 DGAB O=C(Nc1ccccc1C(=O)O)c1ccc(Br)cc1 3157970 HXYGUIBNBZJOOW-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1 44103609 NDDRSZURWJKKFW-UHFFFAOYSA-N 301.346 3.292 0 40 DGAB O=C(COC(=O)Cc1ccsc1)Nc1ccccc1Cl 3218185 AJRYSFLLMRZGEZ-UHFFFAOYSA-N 309.774 3.126 0 40 DGAB CCCc1noc([C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 44583866 IMJGNVWFVVSKTC-ZDUSSCGKSA-N 318.396 3.044 0 40 DGAB CCCCc1noc(CNc2cccc(C(=O)NC(C)C)c2)n1 58157508 KZIYPMGGVXIWED-UHFFFAOYSA-N 316.405 3.163 0 40 DGAB O=C(NCc1cc(Br)cs1)Nc1ccncc1 44971379 POXCJZOACJLYJY-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB CCN(Cc1ccc(C(=O)NCC(F)(F)F)cc1)C(C)C 58420305 VJWSNUVQKCNXNH-UHFFFAOYSA-N 302.340 3.209 0 40 DGAB O=C(NCc1cc[nH]n1)N[C@H]1CCSc2ccc(Cl)cc21 48230095 GQOGGYCRWPIJGH-LBPRGKRZSA-N 322.821 3.099 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1)c1cc(F)cc(F)c1 16101201 NLAQDLFIMALTEW-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccc(F)cc1F 3434418 PFOFQRIIJWXJFB-UHFFFAOYSA-N 306.268 3.015 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(C)cc2)c(OC)c1OC 7944246 KSRRNSJEDLSKCW-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB c1cc(CNC2CCN(CC3CCCC3)CC2)c2c(c1)OCO2 63319708 RVUBGABVMKMFQW-UHFFFAOYSA-N 316.445 3.160 0 40 DGAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)(C)C 5053851 CMDYKXIWJDVBDN-UHFFFAOYSA-N 300.402 3.231 0 40 DGAB Cc1ccsc1CNC(=O)C[S@@](=O)CC1CCCCC1 178286908 JWEUNUYSTWOHLK-FQEVSTJZSA-N 313.488 3.002 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)C1(c2ccccc2)CC1 27111421 MLJOKNQSQQGDFE-UHFFFAOYSA-N 305.337 3.407 0 40 DGAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)cc1F 14182182 LATMKPXVSDCYNA-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB O=C(O)[C@@H]1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1 4553690 QLDGBUNDYTVRIZ-HOTGVXAUSA-N 315.394 3.054 0 40 DGAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1O 6605475 NYAZONUSDKLXPZ-UHFFFAOYSA-N 311.381 3.461 0 40 DGAB COc1ccc(OC)c(S(=O)(=O)Nc2cccc(C)c2C)c1 4741067 WVVKFUZSJVARAU-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB O=c1c2oc3ccccc3c2ncn1CCOc1ccc(F)cc1 6850604 MFVNSIXAXCGBHU-UHFFFAOYSA-N 324.311 3.361 0 40 DGAB CC(=O)c1ccc(N2CCN(C(=O)c3ccccc3C)CC2)cc1 6975890 QLMUVHRATCNBQF-UHFFFAOYSA-N 322.408 3.160 0 40 DGAB Cc1ccccc1CCNC(=O)CN1CC[C@@H](c2ccccc2)C1 69842560 WOFHPSNYDMPDGV-HXUWFJFHSA-N 322.452 3.143 0 40 DGAB O=C(NCc1ccc(OC(F)F)cc1)c1ccc(F)cc1F 9112776 UCGRWVDVTWXHQT-UHFFFAOYSA-N 313.250 3.496 0 40 DGAB CC(=O)Nc1ccc(CN(CCO)[C@@H]2CCc3ccccc32)cc1 93387724 FSSSJJZDWXJKPY-HXUWFJFHSA-N 324.424 3.127 0 40 DGAB O=C(COc1nncc2ccccc12)Nc1ccc2c(c1)CCC2 9578457 LWCAZOUHKHEGKM-UHFFFAOYSA-N 319.364 3.136 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1C1CCCCC1 71821334 AGXXRIGERUFXJO-QGZVFWFLSA-N 324.428 3.452 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CSc2cccs2)c1 71802075 DCHCRRKNTCFXPT-UHFFFAOYSA-N 306.412 3.437 0 40 DGAB C[C@H](Cc1ccccc1F)NC(=O)N[C@H](C)c1nccs1 71879783 WXHSRLTWZJGFTO-GHMZBOCLSA-N 307.394 3.274 0 40 DGAB Cc1cc(NC(=O)[C@]2(C)CC2(Cl)Cl)nc(C(C)C)n1 84114282 MURMTQIGIWRETJ-LBPRGKRZSA-N 302.205 3.431 0 40 DGAB CCN(CC(F)(F)F)C(=O)Cc1c[nH]c2cccc(OC)c12 97048229 SSQNYUZNOHOFMM-UHFFFAOYSA-N 314.307 3.130 0 40 DGAB O=C(Nc1ccc2c(c1)CNCC2)c1cccc(F)c1Cl 97019359 GMDKXTDAJZFAJJ-UHFFFAOYSA-N 304.752 3.377 0 40 DGAB CCc1noc(C)c1NC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97113488 RFGPGJQGBQDZLV-CYBMUJFWSA-N 303.366 3.028 0 40 DGAB CC(=O)[C@@H]1C[C@H](CC(=O)OCCN(C)c2ccccc2)C1(C)C 97163774 AITINLNPYKUEFS-WBVHZDCISA-N 317.429 3.307 0 40 DGAB Cc1n[nH]c(C)c1C[C@@H](C)C(=O)Nc1cc(Cl)ccc1O 95443562 UOWGFMPTLCMXLL-MRVPVSSYSA-N 307.781 3.203 0 40 DGAB CC(=O)c1csc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)c1 95438299 JCGGKQSGNLYZIT-QMTHXVAHSA-N 315.394 3.245 0 40 DGAB CCCS(=O)(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 95990474 CVMYPIHHIFQQAQ-UHFFFAOYSA-N 319.430 3.038 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2cnc3ccccn23)C1 89275168 PWIMUTJIMXXYNB-ZDUSSCGKSA-N 303.431 3.082 0 40 DGAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCOC(C)C 20459037 OFHAVGSXUCZLCC-KRWDZBQOSA-N 307.434 3.392 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cccc(F)c2)cc1 67197481 KDZUWDGMMNARAS-CYBMUJFWSA-N 315.344 3.168 0 40 DGAB O=C(NCCc1nccs1)N[C@@H](C1CCCC1)C(F)(F)F 127469493 GBLGFDWZHLYXGX-NSHDSACASA-N 321.368 3.106 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1 72228082 DWEZHNPWWDMAAM-JKSUJKDBSA-N 316.788 3.154 0 40 DGAB O=C1Cc2ccc(NC(=O)c3ccc(F)c4occc34)cc2N1 1537794180 LNXAPARGKIBNBZ-UHFFFAOYSA-N 310.284 3.319 0 40 DGAB CC[C@@H](OC(=O)c1ccc(C)[nH]c1=O)c1cccc(OC)c1 77962737 VETVQMHOHMJTMZ-OAHLLOKOSA-N 301.342 3.000 0 40 DGAB CCC(CC)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 32768112 OVFZKKNNLUVADA-UHFFFAOYSA-N 322.412 3.398 0 40 DGAB O=C(/C=C/c1cccs1)N1CC(c2nc3ccccc3[nH]2)C1 56923979 WFSJFKFVRVKBEI-BQYQJAHWSA-N 309.394 3.264 0 40 DGAB O=C(NC1CCCCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 32922775 XLGJMMYZURVLCY-INIZCTEOSA-N 304.365 3.158 0 40 DGAB O=C(O)[C@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 70453333 CEDYFAHSMSXLQJ-SFHVURJKSA-N 311.381 3.487 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NCCc1cc(C)no1 75161628 IDWCUGZGTVQZHK-UHFFFAOYSA-N 309.753 3.009 0 40 DGAB CC(C)(C)OC(=O)NCCCCC(=O)c1ccc(S)nc1 72217041 IONKWQSNLNIXEH-UHFFFAOYSA-N 310.419 3.248 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 72363484 RBJQBRGAMWRVTL-HNNXBMFYSA-N 310.401 3.021 0 40 DGAB CCOc1ccc(S(=O)(=O)NCC(C)C)cc1C(C)(C)C 72414541 ZVFQVUUDDULCLP-UHFFFAOYSA-N 313.463 3.317 0 40 DGAB Cc1nc(CC(=O)Nc2ccnn2-c2ccccc2C)cs1 79094870 BIWLZVMHGSVOPM-UHFFFAOYSA-N 312.398 3.127 0 40 DGAB CCc1ccc(Cl)c(CC)c1NC(=O)NCCn1ccnc1 43389207 ZYSHCGLSMCLMJR-UHFFFAOYSA-N 320.824 3.483 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(SC)s1 224518547 FOUSCTLJLJRQAA-JTQLQIEISA-N 309.416 3.056 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)nc1)[C@H]1CC=CCC1 225593019 RVACLEZGNIAEKS-KRWDZBQOSA-N 307.397 3.159 0 40 DGAB Cc1cc(NC(=O)N2CC[C@H](C)C[C@@H]2c2ccco2)nn1C 195568941 DTSRXMJUKPAEQY-WCQYABFASA-N 302.378 3.327 0 40 DGAB COc1cccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225099178 QUBBTKRZZOVZMC-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1cc(N2CCCCC2)nc(NC(=S)NC2CCCC2)n1 226006629 LCFNKODJYNZPAN-UHFFFAOYSA-N 319.478 3.004 0 40 DGAB Cc1ccc(NC(=O)Nc2cnc(N(C)C)nc2)cc1Cl 224260652 NNZYXXDVWZWLAZ-UHFFFAOYSA-N 305.769 3.148 0 40 DGAB CCOc1cccc(N(CC)S(=O)(=O)c2ccccc2)c1 224676569 BYSYMSBLWMUWPK-UHFFFAOYSA-N 305.399 3.301 0 40 DGAB CCCOc1ccc(NC(=O)C2(OC)CCCCC2)c(C)n1 225888063 ROBPLWSRSAGOKS-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1C 225446636 OUFWIEWIDYVIOQ-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB COc1cccc(-c2nnsc2C(=O)N2CCC(C)CC2)c1 225767149 BBHCLOZSYFDWAM-UHFFFAOYSA-N 317.414 3.086 0 40 DGAB CCCc1occc1C(=O)N[C@@H]1CCC[C@@H]([S@@](=O)CC)C1 333973246 BSHTUSVBDHQAHH-ZNLKAECVSA-N 311.447 3.042 0 40 DGAB Clc1cnc(Br)c(I)c1 238509912 JTAAZYYDQXYDME-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB Cc1cc(NC(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)no1 96192902 DINYQTBTHYVQSY-HNNXBMFYSA-N 319.748 3.158 0 40 DGAB CCCn1nc(C)c(CN2CCO[C@H](c3ccc(C)o3)C2)c1C 93864611 BAMRGYCCMRMEKU-SFHVURJKSA-N 317.433 3.385 0 40 DGAB CCn1nc(C)cc1C(=O)O[C@H](C)c1nc2ccccc2n1C 96456248 NLNUYPMWUJVWMB-GFCCVEGCSA-N 312.373 3.016 0 40 DGAB C[C@](O)(CC(=O)N1CCc2c(F)cccc2C1)c1ccccc1 97236615 XDSGCRUTUOBFSQ-IBGZPJMESA-N 313.372 3.008 0 40 DGAB COC[C@H]1CN(Cc2cccc3ccccc23)Cc2cncn2C1 96217326 USXTUELYOGRYDB-INIZCTEOSA-N 321.424 3.315 0 40 DGAB O=C(c1ccsc1)N1CCC2(CCN(CC3CC3)C2)CC1 96046658 PQGDPLHMAVVLBU-UHFFFAOYSA-N 304.459 3.086 0 40 DGAB NC(=O)C1CCN(c2ccccc2NCc2cccs2)CC1 96499635 GFKKPJSMCQJXQJ-UHFFFAOYSA-N 315.442 3.062 0 40 DGAB C[C@H](NC(=O)N(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583651040 DUJAXABVOZBHGI-LURJTMIESA-N 301.177 3.202 0 40 DGAB COCCNC(=O)C[C@H](Cn1cccc1)c1ccc(Cl)cc1 95475876 RFNUWSNRQLCGCQ-OAHLLOKOSA-N 320.820 3.078 0 40 DGAB CC(C)c1nc([C@H](CO)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cs1 585127373 YUZTULHKFNHGCB-FQUUOJAGSA-N 322.474 3.242 0 40 DGAB Oc1cc(CN2CCC(OCc3ccccc3F)CC2)ccn1 585136431 FSCDGUARSVGCRP-UHFFFAOYSA-N 316.376 3.108 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2cccc3cccnc23)C1 257227780 FQVWRTIETAFMQQ-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cc1nccc([C@H]2CN(Cc3ccc(F)cc3Cl)CCO2)n1 257237935 HIXBIDNGSWGOKZ-MRXNPFEDSA-N 321.783 3.151 0 40 DGAB O=C(Oc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 253616506 KUOVVECCDSNRPZ-GFCCVEGCSA-N 315.756 3.299 0 40 DGAB CO[C@@]1(C)CCCN(C(=O)Nc2cc3c(cc2C)OCO3)CC1 281060775 PPCARVIZGBHKEJ-KRWDZBQOSA-N 320.389 3.147 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CSc1nncc2ccccc12 44156626 PTDCUOPRLHHXIO-SWLSCSKDSA-N 315.442 3.417 0 40 DGAB CS[C@H](C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 48796302 SSJAZCAUOUAPBN-SECBINFHSA-N 308.834 3.458 0 40 DGAB COCc1nc(C(=O)N2CCC[C@@H]2c2cccs2)cs1 49175097 PQQHHEREDXIIEV-LLVKDONJSA-N 308.428 3.328 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66771673 PPIVSWXXMFNSBL-GDBMZVCRSA-N 313.397 3.478 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCc1ccc2c(c1)OCO2 579468 JXIYMBYGINPGAF-SOFGYWHQSA-N 315.756 3.398 0 40 DGAB CN(NS(=O)(=O)c1ccc2ccccc2c1)c1ccccc1 5677775 NZAOAPIMAXEJGE-UHFFFAOYSA-N 312.394 3.170 0 40 DGAB Cc1ccn2c(=O)cc(COc3ccccc3Cl)nc2c1 14737870 QOLSCAKIBHHPSJ-UHFFFAOYSA-N 300.745 3.235 0 40 DGAB CC(=O)N1C[C@@H](c2cccc(C)c2)[C@@H]2CN(CC3CC3)CC[C@@H]21 19235209 BXVNIWSDYWPLPH-UFYCRDLUSA-N 312.457 3.041 0 40 DGAB COc1cc(NC(=O)N2[C@H]3C=CC[C@H]2CC3)cc(OC)c1OC 208025143 FCRBLFOVPVICRZ-STQMWFEESA-N 318.373 3.037 0 40 DGAB COc1cccc(-c2cc(CC(=O)N3CCCC[C@@H]3C)no2)c1 12864952 QMRRTHKMJTYQQF-ZDUSSCGKSA-N 314.385 3.294 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccnc2)[nH]n1 15785501 SINKPCJSRCJJJG-GFCCVEGCSA-N 304.353 3.063 0 40 DGAB Cc1ncnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)c1C 1888842715 ZZUQDYLRDVJKFO-KBPBESRZSA-N 317.824 3.316 0 40 DGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1cccs1 13714220 AGQJNZMGIUVEQZ-UHFFFAOYSA-N 314.410 3.165 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCOc2ccc(F)cc2)c1 23142432 GLJILEXHRPYFNB-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB COCCN(Cc1ccsc1)C(=O)CCc1ccccc1F 207975026 AMWBPXPEMUPMOL-UHFFFAOYSA-N 321.417 3.495 0 40 DGAB COc1ccc(CNC(=O)N2CC[C@H](c3ccccc3)C2)cc1 38567355 MYJBQMHLXQRHFR-KRWDZBQOSA-N 310.397 3.394 0 40 DGAB C[C@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)s3)o2)C(=O)O1 96422243 VMKWUUZYQDTRDQ-CAHLUQPWSA-N 316.791 3.248 0 40 DGAB O=C(NCCCN1CCCC1)Nc1cccc2c1CCCC2 40098176 YXHBIZXSCMHBPJ-UHFFFAOYSA-N 301.434 3.173 0 40 DGAB COc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2C)cc1 31075945 PKALBUOVFGKFDF-NSHDSACASA-N 323.439 3.065 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)cc1 428154 OZMPRPUDJRAPEH-UHFFFAOYSA-N 313.401 3.236 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)COc1ccc2c(c1)CCC2 11374422 YXFHBCOMWMRJMU-CZIZESTLSA-N 310.397 3.005 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1 11595559 VYRMGLNJVVCLSF-UHFFFAOYSA-N 301.317 3.168 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N[C@@H]1OC(=O)C(Cl)=C1Cl 1568303 IKHMESSSNCLQAP-SECBINFHSA-N 321.547 3.034 0 40 DGAB C[C@]12CC[C@@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12 4983601 FOMMZXSAOZSXPW-LCWCZVIYSA-N 303.446 3.179 0 40 DGAB COc1cccc(CNC(=S)Nc2cccc(OC)c2)c1 7368549 MPSKBARCOIFZAH-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB O=C(COC(=O)c1cccnc1)Nc1ccc2ccccc2c1 381707 NKLJEEOBNKYYML-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2cccc(Cl)c2)c1 52945347 QNSOQWKZGLVZBG-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB COc1ccc(CC(=O)O[C@H](C)C(=O)c2ccc(C)cc2)cc1 482408 RYMUCCQYHUQKCI-CQSZACIVSA-N 312.365 3.361 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCO[C@@H]2CCCC[C@H]21 60876762 DDHMTADZXYTAQE-BZUAXINKSA-N 324.465 3.029 0 40 DGAB c1ccc2c(NC[C@H]3CCCO3)nc(-c3ccncc3)nc2c1 521034 KLWGXTYZMQMQIW-CQSZACIVSA-N 306.369 3.283 0 40 DGAB CC(=O)Nc1ccc(NC(=S)NN2[C@@H](C)CCC[C@H]2C)cc1 41723867 ARLITQUMXNYIFT-TXEJJXNPSA-N 320.462 3.109 0 40 DGAB Cc1nc(COc2ccc(C(=O)NC3CCCCC3)cc2)no1 25378325 FATFKUGVVKONNY-UHFFFAOYSA-N 315.373 3.020 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)SCc2ccccc2)cn1 44414155 XKQILPUYUVRPRL-CYBMUJFWSA-N 316.426 3.028 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c1 58007196 PNIAXQCCLWCZEW-PBFPGSCMSA-N 302.418 3.385 0 40 DGAB CN(C)c1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 58185290 AOJMLOYYFZBMSX-UHFFFAOYSA-N 307.397 3.093 0 40 DGAB Cc1ccc(CN(C)C(=O)Nc2ccccc2-n2cncn2)cc1 44935731 DSRRPPOGYAFHBO-UHFFFAOYSA-N 321.384 3.240 0 40 DGAB COC[C@H](C)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 8225423 XKPWBRMXSWUOEA-VIFPVBQESA-N 323.393 3.354 0 40 DGAB COc1ccc(-c2cc(=O)n(-c3nc4ccccc4s3)[nH]2)cc1 8208944 ODMLHFXGSTYHIH-UHFFFAOYSA-N 323.377 3.451 0 40 DGAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccco1 3619958 AWOMHCWZGHMXQP-UHFFFAOYSA-N 301.342 3.200 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1cc(C)oc1C 13006598 CPJKOZADNLINFH-UHFFFAOYSA-N 300.358 3.289 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1Cl 63021279 KSOMJBHILWVEMC-GFCCVEGCSA-N 309.793 3.365 0 40 DGAB COc1cccc(CNC(=O)c2ccc(Br)cc2)c1 6236579 WTRDWYCXPHSACF-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)CCCC3=O)[C@@H]12 5274390 WIGLJHDXYHQDGW-BIENJYKASA-N 311.425 3.402 0 40 DGAB COc1ccc2c(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c[nH]c2c1 5217123 QQBAMSNLCIZFCT-STQMWFEESA-N 300.402 3.337 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@H]3C[C@H]4CC[C@@H]3C4)CC2)c1C 4457743 TVCPFXRYXOOVCW-KSZLIROESA-N 312.457 3.388 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCc1cc2ccccc2[nH]1 65522672 YBRRPGQEESABSG-UHFFFAOYSA-N 322.364 3.146 0 40 DGAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc(OC)c1 6400262 ORZRJDYGBLLXTN-YVLHZVERSA-N 323.348 3.357 0 40 DGAB CN(C)[C@@H](CNC(=O)C(C)(C)c1ccccc1F)c1ccco1 65605096 LLFKAOSDRWSFIM-HNNXBMFYSA-N 318.392 3.115 0 40 DGAB CN(C(=O)c1cccnc1)[C@@H](c1cccc(F)c1)c1ccccn1 69581558 CKVPCCLRSNAKLP-SFHVURJKSA-N 321.355 3.477 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 6625957 MYFASPIONRKUKA-INIZCTEOSA-N 318.323 3.171 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CCO 4724893 XMQIBRFROQKIOJ-GOSISDBHSA-N 306.365 3.014 0 40 DGAB O=C(CCC1CCCC1)NCc1ccc(N2CCCC2=O)cc1 7490512 IIYGCDUSHBOPEM-UHFFFAOYSA-N 314.429 3.400 0 40 DGAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCCC2=O)cc1 68657525 AHDLNHSKZOANFP-CABCVRRESA-N 312.413 3.347 0 40 DGAB Cc1noc(N)c1C(=O)OCc1cc2ccccc2nc1Cl 16327004 JTFPHWYNDXHVPS-UHFFFAOYSA-N 317.732 3.124 0 40 DGAB CC(C)(C)NC(=O)CC1(C(=O)Nc2ccccc2)CCCC1 8848278 CZMVTIOBJKYJBN-UHFFFAOYSA-N 302.418 3.490 0 40 DGAB Oc1c2c(nc3nc(SCc4ccccc4)nn13)CCCC2 9088238 JIGSZLCBWNRJMA-UHFFFAOYSA-N 312.398 3.001 0 40 DGAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1 409079193 KKHYRROPUPUZMW-QINSGFPZSA-N 300.427 3.419 0 40 DGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 71818774 YPQKSPXEBRMEEY-WBMJQRKESA-N 302.349 3.285 0 40 DGAB CCO[C@@H]1CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 71825615 XKOZRDXQPHOJGM-CQSZACIVSA-N 300.402 3.046 0 40 DGAB COc1cc(F)ccc1NC1CCN(Cc2ccncc2)CC1 97037010 OCIJNMPMATZNQG-UHFFFAOYSA-N 315.392 3.306 0 40 DGAB CC(C)c1cccc(Cn2cc(Br)ccc2=O)n1 95451595 HJAHLEZZVVMPDM-UHFFFAOYSA-N 307.191 3.178 0 40 DGAB C[C@H](CNCc1nnc2n1CCCCC2)c1ccc(F)cc1 95988834 KSBDOLFAWSOPJI-CYBMUJFWSA-N 302.397 3.037 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1 95956160 WRHNODMTAJTULW-CVEARBPZSA-N 302.349 3.035 0 40 DGAB CCO[C@H](C)c1nc(CN(C)[C@H](C)c2nnc(C)o2)cs1 110645945 KLWVMAGYZYWLLU-NXEZZACHSA-N 310.423 3.125 0 40 DGAB Oc1ccc(CN2CCN(c3ccccc3)CC2)c2cccnc12 54104449 JGIYPOIEJZBYNH-UHFFFAOYSA-N 319.408 3.263 0 40 DGAB CCn1ncc(CNC(=O)c2cc(Cl)ccc2Cl)c1C 28575098 AKJJPHZXSCGNRE-UHFFFAOYSA-N 312.200 3.448 0 40 DGAB NC(=S)NNc1nc2c(-c3ccccc3)cccc2s1 26508226 HYOPSLJDEFYQMI-UHFFFAOYSA-N 300.412 3.123 0 40 DGAB C[C@@H](C(=O)N1Cc2cncnc2C1)c1ccc2ccccc2c1 1556793098 QIANBRFEQNKLIG-CYBMUJFWSA-N 303.365 3.276 0 40 DGAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NCc1c(C)noc1C 79751356 ZGJAYRXKNARYPN-PEYYIBSZSA-N 308.422 3.282 0 40 DGAB CC(=O)Nc1ccc(CCNCc2c(F)cccc2F)cc1 78411699 GMGRCUDFUSLCNT-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB CC(C)COC[C@@H](C)NC(=O)N[C@@H](c1ccccn1)C(C)C 76954923 BTRKJYKMKFPRCU-GDBMZVCRSA-N 307.438 3.139 0 40 DGAB COC1(CN[C@H]2CC[C@](C)(c3ccccc3)C2)CCOCC1 188255403 XSFYHRLZONTXIS-ROUUACIJSA-N 303.446 3.282 0 40 DGAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225698314 HKHWVBABVDSJBI-QGZVFWFLSA-N 323.389 3.074 0 40 DGAB Cc1ccc(CSCC(=O)NCCOc2ccccc2)cc1 223398946 ORDWASKBEQZTJH-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB CCOC(=O)Cc1csc(Nc2cc(OC)ccc2OC)n1 223448705 DQUPBBGUHCUMJT-UHFFFAOYSA-N 322.386 3.010 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCC1=CCCCC1 224462303 KHHJNUDZFDUQFV-KRWDZBQOSA-N 303.402 3.469 0 40 DGAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 96198269 VUBZJGPEXNLPEH-MRXNPFEDSA-N 317.458 3.008 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(C)=O)c1 96404947 VCNHJWRLHVLACF-ABAIWWIYSA-N 306.431 3.060 0 40 DGAB C[C@@H](CCc1cccc(F)c1)N1CCC(n2cncn2)CC1 97370751 FLBRYBWRULXFPQ-AWEZNQCLSA-N 302.397 3.075 0 40 DGAB Cc1csc([C@H](NC(=O)CCc2ccccn2)C2CC2)n1 96425436 XLRKJJFXADHISZ-OAHLLOKOSA-N 301.415 3.047 0 40 DGAB C[C@H](C[C@H](O)c1cccs1)NCc1nc2ccccc2n1C 95448908 HSFGKEDTYJPKKN-DOMZBBRYSA-N 315.442 3.237 0 40 DGAB Cc1ccc(NC[C@H]2CCN(Cc3cnc(C)s3)C2)nc1 97200522 PTMXWCKIPYTARM-CQSZACIVSA-N 302.447 3.089 0 40 DGAB CC[C@@H](NC(=O)NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCO1 95440224 RKYOXLGJVHHWIG-TUUUFIMRSA-N 322.371 3.364 0 40 DGAB Cc1ccc(OCC(=O)N2CCC[C@@H]2c2cccs2)cn1 96447916 VQMGRZNEHVDHGP-CQSZACIVSA-N 302.399 3.194 0 40 DGAB COc1ccc(CCNCc2cnn(C(C)C)c2C)cc1OC 256050901 GXUGQHRWLOTMDS-UHFFFAOYSA-N 317.433 3.122 0 40 DGAB COc1cccc(C(=O)N2CCC[C@@H]2CCc2ccncc2)c1 257237916 HITZZGAZTYCABP-QGZVFWFLSA-N 310.397 3.328 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)Nc1ccccc1F 390827755 JVUCGTQAEXOMGT-ZDUSSCGKSA-N 318.352 3.235 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)N(C)C)c1 43992880 YGVLVOQPNDMXDI-IUODEOHRSA-N 303.406 3.089 0 40 DGAB O=C(c1cc2cc(Cl)ccc2o1)N1CCO[C@@H]2CCC[C@H]21 53379342 CSIICDICOKEDJO-TZMCWYRMSA-N 305.761 3.480 0 40 DGAB CC(C)(C)c1nc(CC(=O)N2CCCc3ncccc32)cs1 69460983 CKFYIIXEOZQNPN-UHFFFAOYSA-N 315.442 3.358 0 40 DGAB C[C@H](C(=O)O)[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 97228697 VIUAJIBJFQRJAH-SJCJKPOMSA-N 322.364 3.360 0 40 DGAB CC(=O)Nc1cccc(COC(=O)c2cc(C(C)(C)C)on2)c1 76090107 MEBCHTBHQTWGEW-UHFFFAOYSA-N 316.357 3.288 0 40 DGAB COc1cc(C=C2C(=O)CC(C)(C)CC2=O)cc(OC)c1OC 5523100 QRKJGCFWRORKEO-UHFFFAOYSA-N 318.369 3.054 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)COc2cccc(C)c2)c1 5815499 ASVXRSRJEWBANA-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB OC1(c2cccnc2F)CCN(Cc2ccc(Cl)cc2)CC1 13265824 REOKNGACPVSZMX-UHFFFAOYSA-N 320.795 3.358 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)c2cccnc2Cl)c1 14258444 XVQZICUGFZBFRL-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cccc(N2CCCC2=O)c1 18076807 QNSILQMMZSAQLC-AWEZNQCLSA-N 320.392 3.405 0 40 DGAB Cc1ccc(-c2cc3nc(-c4cccnc4)cc(O)n3n2)cc1 19212286 BYZRSAQLZFQMKH-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB CCCc1ccc(CN[C@@H]2COC[C@H]2Cc2cc(C)no2)s1 19525494 YGXWZWHAMZEHHU-CXAGYDPISA-N 320.458 3.344 0 40 DGAB COc1cccc2sc(N3C[C@@H]4CCCC[C@]4(CO)C3)nc12 1888870166 LQQXOABYSWODJF-YVEFUNNKSA-N 318.442 3.294 0 40 DGAB O=C(CN1CCCCC1)Nc1ccc(OC(F)(F)F)cc1 34374 CPYPJWMZVAEPAY-UHFFFAOYSA-N 302.296 3.010 0 40 DGAB Cc1cc(NC(=O)NCCCSc2ccc(F)cc2)no1 10220891 NSSKDBKAPDMXQA-UHFFFAOYSA-N 309.366 3.426 0 40 DGAB O=C(c1ccccn1)N1CCS[C@@H](c2cccs2)CC1 219500309 NHCIPJSLFOASJA-CQSZACIVSA-N 304.440 3.464 0 40 DGAB Cc1csc(C(=O)NCC[C@H](CCO)c2cccs2)c1 575604220 UVHXRGCECLOWGK-GFCCVEGCSA-N 309.456 3.404 0 40 DGAB Cc1ccc(CNC2CCN(C(=O)c3ccoc3)CC2)s1 30669099 GSKKGAADMBBVQZ-UHFFFAOYSA-N 304.415 3.044 0 40 DGAB O=C(NCCCC1CCCC1)NCc1ccc2c(c1)OCO2 31040329 APVDEXPGJXQBFO-UHFFFAOYSA-N 304.390 3.185 0 40 DGAB CC1(C)CC(=O)N=C(Nc2ccc(Br)cc2)C(=O)C1 48822 VXDIDTWNKSQZKZ-UHFFFAOYSA-N 323.190 3.175 0 40 DGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnsn1 151280 RFMRUYCCGTUVMZ-UHFFFAOYSA-N 307.684 3.463 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1 40464673 HDWPVGVYVMCMBJ-UHFFFAOYSA-N 321.336 3.116 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1n[nH]c2ccccc12 19939789 IOOMVKGLAQVNGP-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c(=O)[nH]1 75118275 XYKWJBLBGXFNSY-LBPRGKRZSA-N 310.353 3.263 0 40 DGAB COc1ccc(S(=O)(=O)N2[C@H](C)CCC[C@H]2C)cc1Cl 1368067 UCLUJNBRMZFUKI-GHMZBOCLSA-N 317.838 3.300 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)n1)Nc1ccccc1F 31664549 SRBPWSJXWDACQM-ZHACJKMWSA-N 308.316 3.058 0 40 DGAB COc1cc(C)c([C@@H](C)NC(=O)OCC(F)(F)F)cc1OC 40556415 HKWKUFZLENXBTL-SECBINFHSA-N 321.295 3.362 0 40 DGAB COc1ccc(OCC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 203538 YDIZLORLDJAVOP-MRXNPFEDSA-N 311.381 3.090 0 40 DGAB Cc1cc(C)nc(N2CCC(C(=O)Nc3ccccc3C)CC2)n1 4966024 HJHSOLPTHBZQMZ-UHFFFAOYSA-N 324.428 3.257 0 40 DGAB C[C@@H](Sc1nncn1C1CC1)c1nc(-c2ccco2)no1 29740442 GOBCZJPRNJOWAN-MRVPVSSYSA-N 303.347 3.109 0 40 DGAB COc1cccc(NC(=O)Nc2ccc(OC)cc2OC)c1 8167998 XIXFQMKPXPBEKF-UHFFFAOYSA-N 302.330 3.356 0 40 DGAB CCc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1 2615828 AXLOSMIPUIBMOD-UHFFFAOYSA-N 311.381 3.364 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(Cl)o1 21407716 SWDGEMQXJMASRA-UHFFFAOYSA-N 318.804 3.459 0 40 DGAB Cc1cccc(-c2nc(CN3CCC[C@H](C(=O)O)C3)c(C)o2)c1 32917376 DRYWRZABMNBJLD-HNNXBMFYSA-N 314.385 3.255 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CC=C(c2ccc(O)cc2)CC1 70013604 BFRPDICWCIVGOA-DLBZAZTESA-N 309.365 3.405 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H](C)SC(F)(F)F)s1 33161867 SSIWFCUANPUHBV-YFKPBYRVSA-N 313.322 3.115 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2C)C1=O 101276135 ICOLCNURPVDIBF-OAHLLOKOSA-N 324.380 3.138 0 40 DGAB CCc1cccc(CC)c1NC(=O)c1ccc(C(=O)OC)cn1 22961286 BAMOSKYBIACSEL-UHFFFAOYSA-N 312.369 3.245 0 40 DGAB COc1ccccc1[C@H]1OC2=Nc3cc(C)c(C)cc3N[C@@H]2C1=O 104239773 SRDLUXISUFLKDM-SJLPKXTDSA-N 322.364 3.477 0 40 DGAB COc1ccc(-c2csc(N3CCOCC3)n2)cc1Cl 24104689 VQXAWPWUQAWRDZ-UHFFFAOYSA-N 310.806 3.309 0 40 DGAB C[C@@H](NC(=O)NC1CCC(O)CC1)c1ccc(F)c(Cl)c1 55089644 ZSVZSGHKESBCPM-OIKLOGQESA-N 314.788 3.143 0 40 DGAB Cc1cccc([C@H]2CCCN2CC(=O)N2CCC[C@@H](C)C2)c1 106123434 YYKCVKUINFMAOF-SJLPKXTDSA-N 300.446 3.390 0 40 DGAB COc1ccc(-c2oc(=O)n(C)c2-c2ccc(OC)cc2)cc1 1428052 OPXQUPZPLMVFBD-UHFFFAOYSA-N 311.337 3.330 0 40 DGAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1cccnc1 108485305 LBYNGFYVLUYJOT-LSDHHAIUSA-N 324.428 3.193 0 40 DGAB CCCCCNC(=O)C[C@H](NC(=O)OCC)c1ccccc1 2140770 APKWWWFYUZHRIK-HNNXBMFYSA-N 306.406 3.170 0 40 DGAB COCCN(CCOC)C(=O)Nc1cc(Cl)ccc1Cl 58202013 VPOOWGKARNUPFP-UHFFFAOYSA-N 321.204 3.120 0 40 DGAB CCc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)cc1 58358437 LDAJDCVWUJBGMP-LLVKDONJSA-N 318.446 3.354 0 40 DGAB CCCc1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12881902 AIHUCFDNRVXKRX-KRWDZBQOSA-N 310.405 3.281 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)N[C@H](C)c1cccs1 8327213 JWMKNVXNHYWIRY-CYBMUJFWSA-N 316.426 3.054 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1C 3443474 KUPYFVPSIKVNEK-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB COC(=O)c1ccc(COC(=O)C2(c3ccccc3)CC2)cc1 3443835 ZWHXFRKSXUMAAN-UHFFFAOYSA-N 310.349 3.248 0 40 DGAB O=C(CSc1ccc2c(c1)CCC2)NC(=O)c1cccs1 12925231 TXRJXNOCNFGOAG-UHFFFAOYSA-N 317.435 3.286 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cccc(F)c1 12980950 JGWYSTWOBSIGMZ-UHFFFAOYSA-N 301.317 3.168 0 40 DGAB O=C(CCc1nnc(-c2ccsc2)o1)NCC1CCCCC1 13005466 CSLKUUVSOFQXDI-UHFFFAOYSA-N 319.430 3.427 0 40 DGAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccccn2)cc1 4040691 HUOLKQUXHJEHAR-KRWDZBQOSA-N 304.353 3.171 0 40 DGAB Cc1oc(-c2cc(F)ccc2F)nc1CN1CCSCC1 64014843 QSCKGENBODXSQI-UHFFFAOYSA-N 310.369 3.477 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(C)(C)C 69779346 YKGJGADBYROYPJ-GFCCVEGCSA-N 319.449 3.409 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 6204367 LHPJBSOLXYNFBG-IJEWVQPXSA-N 303.402 3.093 0 40 DGAB O=C(NC1CCCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 5293582 MFZFRNCKVZWSKS-AWEZNQCLSA-N 320.458 3.192 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCOc3ccccc32)c1C 14186158 RLUQSDZBCQGWIK-CQSZACIVSA-N 312.369 3.088 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1 8782333 MEUDBSIZTRIXKS-AWEZNQCLSA-N 300.402 3.115 0 40 DGAB CCOC(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 4694989 GIOOLVBJORZLAR-UHFFFAOYSA-N 313.766 3.339 0 40 DGAB CC(C)[C@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1 89801809 ZIVKPKIPUZOIBN-CJNGLKHVSA-N 315.442 3.471 0 40 DGAB C[C@@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1 92372062 MKBSCWRRWGLAHU-SMDDNHRTSA-N 303.383 3.278 0 40 DGAB Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)c1 9157319 SOEQVJQNASBQCU-QGZVFWFLSA-N 321.380 3.168 0 40 DGAB O=c1[nH]c(CN(Cc2ccccc2F)C2CC2)nc2ccccc12 6999918 MEDSLTXYKZIACM-UHFFFAOYSA-N 323.371 3.227 0 40 DGAB c1ccc(-c2ccc(-c3ccc(N4CCNCC4)nn3)cc2)cc1 71976792 CZXRDIZOCLYJCP-UHFFFAOYSA-N 316.408 3.220 0 40 DGAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C 7306035 HXVHMILAAACJSF-AWEZNQCLSA-N 301.411 3.443 0 40 DGAB O=S(=O)(c1ccc(Sc2ccccc2)nc1)N1CCCC1 8027183 HNMBLANFORHHNB-UHFFFAOYSA-N 320.439 3.017 0 40 DGAB CCc1noc(C)c1C(=O)Nc1cccc(Oc2cccnn2)c1 83817438 DFKXZJHISXAOIW-UHFFFAOYSA-N 324.340 3.380 0 40 DGAB C[C@H](NCCc1ccccn1)c1ccc(NC(=O)NC2CC2)cc1 89904808 QBJBSRFZKULGPB-AWEZNQCLSA-N 324.428 3.259 0 40 DGAB O=C(NC[C@@H]1CCOC1)[C@@H]1C[C@@H]1c1cccc(Cl)c1Cl 71894085 LAWNLHIZSFSDGV-MVWJERBFSA-N 314.212 3.250 0 40 DGAB C[C@@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccoc2)CC1 71821738 VBNNMXVFHYONQX-LBPRGKRZSA-N 320.339 3.077 0 40 DGAB C[C@H]1C[C@H]1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889996 JBRJVMFHVMPYHY-SMDDNHRTSA-N 302.349 3.429 0 40 DGAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 72235196 CHRLFBFBOCDBFZ-LLVKDONJSA-N 324.837 3.087 0 40 DGAB CC(C)N(C[C@H](C)O)C(=O)CC1CCC(C(F)(F)F)CC1 97085092 ZZHMCRZORLFPGI-HIFPTAJRSA-N 309.372 3.363 0 40 DGAB Cc1nnc(SCN2CCCCC2=O)n1C1CCCCC1 97080522 QZVVOAJMKVTQRX-UHFFFAOYSA-N 308.451 3.154 0 40 DGAB COc1cccc2[nH]cc(CC(=O)N(C)Cc3ccsc3)c12 97047697 VEJRYVBDISANES-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB Cc1ocnc1CNC(=O)NC1(Cc2ccccc2)CCCC1 97114784 YSZGFINGEALUTM-UHFFFAOYSA-N 313.401 3.338 0 40 DGAB CSc1ccc(Cl)c(C(=O)Nc2cn(C)c(=O)cc2C)c1 78976353 OGLDBBIDWOBBEL-UHFFFAOYSA-N 322.817 3.321 0 40 DGAB Cc1cccc(C)c1OC[C@@H](NC(=O)[C@@H]1CCCO1)C(C)(C)C 79094103 OMECADIBVGQLHL-JKSUJKDBSA-N 319.445 3.392 0 40 DGAB c1ccc2[nH]c([C@@H]3CCCN(c4nc(C5CC5)no4)C3)nc2c1 95399057 IFVBNCHFOPMVDL-GFCCVEGCSA-N 309.373 3.207 0 40 DGAB CCOc1ccc(Cl)cc1CCNC(=O)c1oc(C)nc1C 95440566 KWIAELASWWMZRW-UHFFFAOYSA-N 322.792 3.316 0 40 DGAB COCCCOc1ccccc1NCc1nc(C)ccc1O 95428808 NBQFFVLLCURRIT-UHFFFAOYSA-N 302.374 3.123 0 40 DGAB Cc1cc(CC(=O)N[C@H]2c3cccc(F)c3CC[C@H]2C)no1 79712623 PVLXFOJRZFLSOS-BMLIUANNSA-N 302.349 3.104 0 40 DGAB C[C@@H]1CCc2[nH]c3c(C(=O)N[C@H](C)CCCO)cccc3c2C1 95966939 MTXRLMUBGNRGJP-CHWSQXEVSA-N 314.429 3.184 0 40 DGAB COc1cc(C=O)ccc1OCc1nc(-c2ccccc2)no1 28126822 NQTQOYVUBMEFBY-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB COc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1O 20861203 GHNYUPVQAKHROQ-UHFFFAOYSA-N 320.728 3.094 0 40 DGAB C[C@@H](Cc1ccc(NC(=O)c2ccc3n[nH]cc3c2)cc1)C(=O)O 516947556 PTNCWVXXUKCXJP-NSHDSACASA-N 323.352 3.078 0 40 DGAB CC(C)C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@H]2C1)n1cccc1 524729027 JHWNECDRCUHGEB-YQVWRLOYSA-N 318.461 3.229 0 40 DGAB biogenic COc1ccc(C(=O)Nc2cccc(N)c2)cc1Br 38073918 DLNIQRNRDMQWRN-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(CNC(=O)C[C@H]2C=CCC2)cc1OC(F)F 31744017 USPZHVHLQJNVLV-NSHDSACASA-N 311.328 3.269 0 40 DGAB Cc1ncc(-c2nnc(Cc3ccc(Cl)cc3)o2)c(C)n1 216615800 CBORMEOGWZWMLU-UHFFFAOYSA-N 300.749 3.388 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(CN)cc2)cc1Cl 36720771 OHSYTHSOTUJHBS-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB OCC1(CN[C@H]2CCCC[C@@H]2c2ccccc2)CCOCC1 521396917 GKZZKQUMBXYFKK-MSOLQXFVSA-N 303.446 3.092 0 40 DGAB COc1ccc(C(=O)NCCOc2cccc(C)c2)cc1Cl 225123245 ZJZAXACWCJHDBR-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB O=C1C[C@@H](c2noc(-c3ccccc3)n2)CN1Cc1ccccc1 44425165 XNILVKOFCHILSI-MRXNPFEDSA-N 319.364 3.253 0 40 DGAB CN(Cc1ccc(Cl)nc1)Cc1nc(-c2ccco2)no1 80914197 YPSWHAMVMHAHTR-UHFFFAOYSA-N 304.737 3.010 0 40 DGAB CCCCCOC(=O)c1snnc1-c1cnc(SC)nc1 223854158 FVZHKDLNJHUREZ-UHFFFAOYSA-N 324.431 3.064 0 40 DGAB C[C@H](NC(C)(C)CNC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 192863042 BDUHUYJFDGQVPD-UXDRXVOSSA-N 315.505 3.331 0 40 DGAB Cc1cnc(C)c(N2CCC(OCc3ccccc3F)CC2)n1 195563964 SHDMPRWLTPQURV-UHFFFAOYSA-N 315.392 3.418 0 40 DGAB COc1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 224280619 GXMOCDIBIYBSCL-UHFFFAOYSA-N 305.337 3.405 0 40 DGAB COC(=O)NCc1ccc(NC(=O)CC2=CCCCC2)cc1 96409227 YCCPCFTVINKUKR-UHFFFAOYSA-N 302.374 3.372 0 40 DGAB Cc1cnc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)s1 96192516 MLYFASXVLRUBKF-OAHLLOKOSA-N 319.361 3.112 0 40 DGAB CCc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)n[nH]1 576994237 MNOWZRAODNGEBY-GOSISDBHSA-N 315.392 3.349 0 40 DGAB COc1cccc(NC(=O)C[C@H](C)NCC(C)(C)SC)c1 96478858 MEKCNVYXNYSVPI-LBPRGKRZSA-N 310.463 3.144 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)CC[C@@H]3CCCO3)co2)cc1 96443915 QIGIZTBKYDHULM-INIZCTEOSA-N 314.385 3.225 0 40 DGAB CC(C)(C)NC(=O)COc1ccc(Oc2nccs2)cc1 96455296 KHNFDPIHGUDAFO-UHFFFAOYSA-N 306.387 3.229 0 40 DGAB C[C@H](c1cccnc1)N(C)Cc1nc(-c2cccs2)no1 96485800 GNXOLCDXQQHZDP-LLVKDONJSA-N 300.387 3.386 0 40 DGAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)/C=C/c1ccco1 96432962 ZZDAPLYYOVNWEW-BBVFFXRHSA-N 324.424 3.273 0 40 DGAB Cc1cc(NC(=O)NC[C@@H](C)Sc2ccccc2)n(C)n1 96433772 DEFNDUFRZXWVEH-GFCCVEGCSA-N 304.419 3.031 0 40 DGAB Cn1ccc2c(C(=O)NCc3c(F)cccc3F)cccc21 96223208 MTSJPKYCVHQPFI-UHFFFAOYSA-N 300.308 3.387 0 40 DGAB COc1ccc([C@](C)(O)[C@H]2CCCN2C(=O)C=C2CCC2)cc1 583616014 CDGQIAWUMJSJQT-MJGOQNOKSA-N 315.413 3.004 0 40 DGAB Cc1cccc(NC(=O)CCCn2c(=N)n(C)c3ccccc32)c1 585655849 YQRGYOHWWKPIIP-UHFFFAOYSA-N 322.412 3.187 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 253504580 HMFQSUMWKTYRNZ-VQQDOSSVSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro CCCOc1cc(C)ccc1NC(=O)N[C@@H](C)Cn1ccnc1 47766744 ASSFTYCEQHJLEL-AWEZNQCLSA-N 316.405 3.191 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 48235885 UHKWERTWLCQKCC-AWEZNQCLSA-N 304.390 3.110 0 40 DGAB C[C@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(N)=O)CC1 56267358 OTJADMZLTMPJKB-SECBINFHSA-N 301.217 3.252 0 40 DGAB CC(C)C1CCC(NCc2ccc(S(C)(=O)=O)cc2)CC1 54556640 PWYDIBNOBDPWKL-UHFFFAOYSA-N 309.475 3.395 0 40 DGAB Cc1ccc(C2(CN3CCC(NC(=O)C4CC4)CC3)CC2)cc1 12187190 JZLZFHSEHZZFIE-UHFFFAOYSA-N 312.457 3.017 0 40 DGAB CCC(=O)N1CCCC[C@H]1c1ccnc2cc(C(C)(C)C)nn12 19498828 JUKRAKYVPKYZED-ZDUSSCGKSA-N 314.433 3.490 0 40 DGAB COc1ccc(CC(=O)Nc2cccc3ncccc23)cc1OC 2654865 ZWBKRCKYEJPVDI-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3c(F)cccc3s2)C1 1888870203 YQJWDFKIMIYNMP-SNVBAGLBSA-N 321.421 3.176 0 40 DGAB Nc1cc(-c2nc3ccccc3s2)ccc1N1CCOCC1 8703349 NQIHJTWSIMUVQS-UHFFFAOYSA-N 311.410 3.382 0 40 DGAB Cc1cccc(OCCSc2nnc3n2CCCCC3)c1 40159037 DGVNGZHSABFFJN-UHFFFAOYSA-N 303.431 3.484 0 40 DGAB CCOc1c(Br)cc(Br)cc1C=O 161710 MHBMBLXXEWUFSQ-UHFFFAOYSA-N 307.969 3.423 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1ccccn1 40474159 WTCDWJSYXCOVER-AWEZNQCLSA-N 301.415 3.362 0 40 DGAB O=C(NCc1ccco1)c1ccccc1C(=O)c1ccccc1 47204 DUKXKCMTFYOHQI-UHFFFAOYSA-N 305.333 3.441 0 40 DGAB Cc1ccc(NCN2C(=O)[C@H]3CC[C@@H](C)C[C@@H]3C2=O)cc1Cl 100620510 IOVOCCINDAIIPM-SWHYSGLUSA-N 320.820 3.439 0 40 DGAB CCN[C@@H](C1CCCCC1)[C@H](C)OC(=O)c1ccc(N)cc1 1711723 AAHFSQZVCCRFLB-SUMWQHHRSA-N 304.434 3.373 0 40 DGAB CC(=O)c1csc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)n1 31709779 SSARJHKPCGEQCN-GFCCVEGCSA-N 318.398 3.369 0 40 DGAB CCCCOc1ccc(C(=O)N2C(=O)C(=O)c3ccccc32)cc1 3042554 PNPHPHYAXAXXHE-UHFFFAOYSA-N 323.348 3.235 0 40 DGAB C[C@H](NCCc1nnc2ccccn12)c1ccc(Cl)cc1 20550930 PZLLZYNCUVLMPB-LBPRGKRZSA-N 300.793 3.276 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@@H]1CCC2=O 4087231 CSOPPJRLYYLIIJ-DPJJEVCPSA-N 302.414 3.155 0 40 DGAB CCCNC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1 32691691 UKKKAJTUAUJLFY-UHFFFAOYSA-N 318.229 3.488 0 40 DGAB COc1ccc(CCNC(=O)OCc2ccccc2)cc1OC 478148 QDXJIFRAWNDNJJ-UHFFFAOYSA-N 315.369 3.173 0 40 DGAB Fc1ccc(N2CCN(Cc3ccc(Cl)nc3)CC2)cc1 52525170 SBMUCHKVJQOEOS-UHFFFAOYSA-N 305.784 3.196 0 40 DGAB Cc1ccccc1CNS(=O)(=O)Cc1ccc(Cl)cc1 9694921 KLTYBTACSHAEPT-UHFFFAOYSA-N 309.818 3.268 0 40 DGAB O=C(N1C[C@H]2CC[C@H]1C2)C1(c2ccc(Cl)cc2)CCOCC1 103750676 DJEAKVPKOQOJGH-BBRMVZONSA-N 319.832 3.399 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2occc2C)n1 89701965 GFCQPXGSVHCTCM-UHFFFAOYSA-N 309.369 3.321 0 40 DGAB O=C(CCc1ccsc1)Nc1cccnc1N1CCCC1 47225866 GPVJUWAAGCCSNG-UHFFFAOYSA-N 301.415 3.315 0 40 DGAB Cn1ncc2c(Oc3ccc(Br)cc3F)ncnc21 12485385 HYKIHQJWNNLNGX-UHFFFAOYSA-N 323.125 3.057 0 40 DGAB CCOCCC1(C(=O)Nc2nc(COC)cs2)CCCC1 89986848 SGVJFXNNYMZJAW-UHFFFAOYSA-N 312.435 3.215 0 40 DGAB Cc1cc(C(=O)Nc2c(F)cccc2F)c2c(C)nn(C)c2n1 55412957 NXPBWAKUCAZVLB-UHFFFAOYSA-N 316.311 3.116 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccn2)C(C)C)C1 107144743 LBLRRORVZQCSIZ-GZBFAFLISA-N 307.463 3.362 0 40 DGAB Cc1noc(C)c1CSc1ncccc1C(=O)NCC(C)C 25706553 YMYPXRYMEKKMFR-UHFFFAOYSA-N 319.430 3.365 0 40 DGAB O=C(c1ccc(Br)nc1)N1CCc2ccccc2C1 76091081 NTRSJUYVYSMOAF-UHFFFAOYSA-N 317.186 3.043 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1cccc2nsnc12 35672858 MSYWBLBRXFXPKW-SECBINFHSA-N 317.345 3.236 0 40 DGAB O=C(Nc1cn[nH]c1)N1CCC(Cc2cccc(F)c2)CC1 58015576 GPZUZUSVFNTDBA-UHFFFAOYSA-N 302.353 3.035 0 40 DGAB Fc1ccc(O[C@H]2OCCO[C@@H]2Oc2ccc(F)cc2)cc1 3212706 LWLFNVVVVQUANV-HZPDHXFCSA-N 308.280 3.122 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)c3ccccc3C)c2c1 10146600 MPMXSRVOQVPPBT-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB Cc1cc(C)cc(NCCc2n[nH]c(-c3ccc(N)cc3)n2)c1 62719041 XMKCOHDIUMEBDR-UHFFFAOYSA-N 307.401 3.325 0 40 DGAB COc1c(CN[C@H]2CCOc3ccccc32)c(C(C)C)nn1C 58392531 JGDQEELIAOIFDB-HNNXBMFYSA-N 315.417 3.166 0 40 DGAB CC[C@H](NCc1c(C)nn(C)c1N(C)C)c1ccccc1OC 58405571 RBHKIYZUSVHKJZ-INIZCTEOSA-N 316.449 3.044 0 40 DGAB Cc1csc(NC(=O)CCc2nc(-c3ccsc3)no2)n1 10555336 XMUUGKUWXBLKGB-UHFFFAOYSA-N 320.399 3.134 0 40 DGAB CC[C@H]1CN(C(=O)N[C@@H](c2ccccc2)c2ccco2)CCO1 45153000 UMFJLYLAISDUHL-RDJZCZTQSA-N 314.385 3.189 0 40 DGAB Cc1cc(C)c2cc(C(=O)N3C[C@H](C)O[C@@H](C)C3)[nH]c2c1C 28263636 WYPXUVRLRDRPBQ-STQMWFEESA-N 300.402 3.343 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)cc1F)N1CCc2sccc2C1 10767607 ABYDWEHZTCBGCR-SNVBAGLBSA-N 322.380 3.412 0 40 DGAB COC(=O)C1(NC(=O)/C=C/c2cccc(Cl)c2)CCCCC1 12780869 GBCANYBKCSBJDW-CMDGGOBGSA-N 321.804 3.345 0 40 DGAB O=S(=O)(Nc1ccc2scnc2c1)c1ccccc1F 62580285 SEZRUYIGKICBIH-UHFFFAOYSA-N 308.359 3.236 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1F 12995576 BIYXAKWOINRAFW-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB C[C@H]1CCCCN1C(=O)CSc1ncnc2sccc12 3604342 KQPNIZBTESSKNS-JTQLQIEISA-N 307.444 3.184 0 40 DGAB O=C(O)c1cc(OCC(F)(F)F)cc(OCC(F)(F)F)c1 38342326 TZVBKGSAPRNFGX-UHFFFAOYSA-N 318.169 3.267 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8140576 YZSURAFQNQHSNH-RHSMWYFYSA-N 314.429 3.051 0 40 DGAB Cn1cc(C(=O)Nc2ccc(-c3cn4ccsc4n3)cc2)cn1 8280693 XXVXIHUKBTYFLQ-UHFFFAOYSA-N 323.381 3.049 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C(C)=O)cc1 5269630 CBRYQNSKHXAEPB-UHFFFAOYSA-N 321.380 3.440 0 40 DGAB CCn1ncc2c(C(=O)NC3CC3)cc(-c3ccccc3)nc21 14262984 LMFKXGYMXGLVAY-UHFFFAOYSA-N 306.369 3.010 0 40 DGAB COc1cccc(CCC(=O)Nc2c(C)cnn2CC2CC2)c1 69557621 SRYIKWAAWJPHOO-UHFFFAOYSA-N 313.401 3.181 0 40 DGAB COc1cc(OC)c(C(=O)N[C@@H](C)c2cccs2)cc1OC 14602926 RWCPVCFGNOQNRN-JTQLQIEISA-N 321.398 3.265 0 40 DGAB CC(C)c1ccc(CS(=O)(=O)Cc2nnc(C3CC3)o2)cc1 69740107 VKFFXRSIZMHTDV-UHFFFAOYSA-N 320.414 3.185 0 40 DGAB c1ccc(-c2nnn(Cc3coc(-c4cccs4)n3)n2)cc1 7586307 JECGUWQYFAMIHF-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 9698711 ZMUYTMNDRRUCKD-NVXWUHKLSA-N 322.408 3.225 0 40 DGAB OC[C@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 71920612 NIRHYYOSUKSNKG-NSHDSACASA-N 321.218 3.206 0 40 DGAB Cc1noc(C)c1CCNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 78987920 RBLUFUHBBUTTQH-STQMWFEESA-N 315.417 3.325 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2ccc(C)cn2)c1 9322703 IXOODKPFTSNWMT-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CC(C)n1cc([C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)cn1 97045817 AHRDXAJWZBAYHS-LBPRGKRZSA-N 322.434 3.009 0 40 DGAB C[C@@H](C(=O)Nc1cccc2[nH]ccc12)N1Cc2ccccc2C1=O 72325129 YSGLUBODDWHAMQ-LBPRGKRZSA-N 319.364 3.151 0 40 DGAB biogenic CC(C)(C)SCCNC(=O)N1CCCC[C@@H]1c1cn[nH]c1 97234320 FSTTZGUHICUECG-CYBMUJFWSA-N 310.467 3.178 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccsc1 95116838 AMVPLKZPVYNXNR-AWEZNQCLSA-N 314.366 3.174 0 40 DGAB C[C@H](CNc1cncc(Cl)n1)CN(C)C(=O)OC(C)(C)C 84640176 KFWYFCAAGVQLJZ-SNVBAGLBSA-N 314.817 3.045 0 40 DGAB CC[C@H](C)c1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)on1 95401290 AWODHISTUSTYMZ-SWLSCSKDSA-N 318.421 3.229 0 40 DGAB C[C@@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 95422121 HAOVAOKSOIUZBQ-IAQYHMDHSA-N 321.346 3.428 0 40 DGAB O=C(CCc1ccc(F)cc1)NCCOCc1ccccc1 177075594 IUHDUNDEAOREMI-UHFFFAOYSA-N 301.361 3.091 0 40 DGAB CCC(=O)Nc1ccc([C@H](C)N[C@@H]2CCN3CCC[C@@H]3C2)cc1 95974223 GSTCHJFEQQCRMS-BMGDILEWSA-N 315.461 3.313 0 40 DGAB Brc1ccc(N2CCCC2)c(NCc2cc[nH]n2)c1 95978181 LARQVGHPXIGQBQ-UHFFFAOYSA-N 321.222 3.385 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(CCC(C)(C)C)CC2)n1 59812229 CVELBHRFJIQQKE-CQSZACIVSA-N 308.470 3.308 0 40 DGAB c1ccc(CNc2ncc3c(n2)CC[C@H](NC2CCCC2)C3)cc1 306137765 RFMCYYGJWLDUGM-SFHVURJKSA-N 322.456 3.478 0 40 DGAB O=C(Nc1ccc2occc2c1)C1CCN(c2cnccn2)CC1 530006882 WKTUWKMRRLYACV-UHFFFAOYSA-N 322.368 3.078 0 40 DGAB FC(F)(F)c1nnn2c1SCC(c1ccc(Cl)cc1)=N2 5894618 WEWKCGJUSRTPHX-UHFFFAOYSA-N 318.711 3.308 0 40 DGAB Cc1ccc(-c2nc(NC(=O)C(C)C)sc2CC(=O)O)cc1 31976129 XMXDGOZFOYCPAP-UHFFFAOYSA-N 318.398 3.340 0 40 DGAB COc1cccc([C@@H]2CCCN2Cc2cc(C(=O)O)co2)c1 567279917 GWJYQGYPWSOXBZ-INIZCTEOSA-N 301.342 3.324 0 40 DGAB CCCOc1ccc(NC(=O)C(C)(C)Br)c(C)n1 225880314 APOCHIFGVVNRPM-UHFFFAOYSA-N 315.211 3.291 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(CCC(F)(F)F)C2)c1 83403331 CIDLQWNUFBMMBR-LLVKDONJSA-N 303.324 3.446 0 40 DGAB COc1ccc(C(=O)[C@H]2CCCN(C(=O)c3ccco3)C2)cc1 49702356 JAFBOIGGOZOKIT-AWEZNQCLSA-N 313.353 3.023 0 40 DGAB COCc1ccccc1NC(=O)Nc1cc([C@@H]2C[C@H]2C)n[nH]1 192218706 GKRCICUENIAPAL-ZYHUDNBSSA-N 300.362 3.324 0 40 DGAB CSc1nnc(NC(=O)CCSc2ccccc2)s1 222710861 FQEYLSXHMYZSSC-UHFFFAOYSA-N 311.457 3.381 0 40 DGAB CSC(C)(C)CNC(=O)Nc1cccc(-c2nccn2C)c1 96434639 MXACSGHAPBDOKD-UHFFFAOYSA-N 318.446 3.350 0 40 DGAB COC[C@H]1COCCC12CCN(C(=O)CC1=CCCCC1)CC2 96106345 GSLFIOHUHJWGGJ-KRWDZBQOSA-N 321.461 3.169 0 40 DGAB c1cc(CN2CCC3(CC2)C[C@@H](OCC2CCC2)CO3)co1 96106949 OXLWRABQIDFKSU-QGZVFWFLSA-N 305.418 3.220 0 40 DGAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@@H](C)c1nccs1 96415471 PHTDKOYYSWZNNX-WCQYABFASA-N 304.419 3.392 0 40 DGAB CCOC1CCN(c2nc(-c3cccnc3)nc(C)c2C)CC1 96429222 UGEZZMOWNGFYJI-UHFFFAOYSA-N 312.417 3.161 0 40 DGAB CC(=O)N1[C@H]2CCCCCN[C@@]2(C)C[C@H]1Cc1ccccc1 257201452 AHTWRJORCKAJFW-QYZOEREBSA-N 300.446 3.141 0 40 DGAB COc1cccc(-c2ccc([C@H]3CCCN(C(C)=O)C3)nc2)c1 257265641 LZRODVNAALKYPH-KRWDZBQOSA-N 310.397 3.483 0 40 DGAB COc1cc(C)c(N[C@H](C)Cn2cncn2)cc1C(F)(F)F 585139481 WQBHHZQUBOBNRQ-SNVBAGLBSA-N 314.311 3.115 0 40 DGAB CC(C)c1nc(/C=C/c2c(C3CC3)cnn2C)ncc1C(=O)O 656612929 OWIYWWIECWQQPU-VOTSOKGWSA-N 312.373 3.080 0 40 DGAB O=C(C1CCCC1)N1CCc2ncc(-c3ccccc3)n2CC1 585111353 QERXJWWQCQGBLY-UHFFFAOYSA-N 309.413 3.125 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)NCC2CCC(C)CC2)c1 56818866 YHZBKCRMTPWVJI-UHFFFAOYSA-N 317.433 3.271 0 40 DGAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)cn1 68281751 BKYUHIDLEGMDHN-KGLIPLIRSA-N 313.401 3.165 0 40 DGAB CCCn1c(C)cc(-c2csc(NC(=O)COC)n2)c1C 73419123 VMBZCMQPYLTSHY-UHFFFAOYSA-N 307.419 3.223 0 40 DGAB CCc1ccc(CN2CCCN(C(=O)c3cccs3)CC2)o1 93385806 IWIRVAQBJKUWMH-UHFFFAOYSA-N 318.442 3.252 0 40 DGAB CCCn1c(C)nnc1CNc1cc(C)n(-c2ccc(C)cc2)n1 97034875 ISOIJERAPHNJAF-UHFFFAOYSA-N 324.432 3.411 0 40 DGAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(C)c(C)c1 585319629 JURKSUCBAOJSRH-JWTNVVGKSA-N 301.430 3.404 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C)c(C)c2)c1 5476653 NHFUMLSMBPIPBB-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CCc1cccc2cc3c(nc12)OC(=O)N(C[C@H]1CCCO1)C3 12276680 JOXCRHIVSJGBJS-OAHLLOKOSA-N 312.369 3.291 0 40 DGAB CCOc1ccc(C(=O)N(CC)CC)cc1Br 14769947 KEBADVITHUGCBT-UHFFFAOYSA-N 300.196 3.330 0 40 DGAB COc1cccc(Nc2cc(C)nc3nc(-c4ccco4)nn23)c1 15780313 PRRRNTCGGASGFY-UHFFFAOYSA-N 321.340 3.445 0 40 DGAB O=C(CCn1c(C(F)F)cc2cccnc21)NC1CCCC1 19347157 XDSSCZDERSDAKT-UHFFFAOYSA-N 307.344 3.423 0 40 DGAB Cc1cccnc1NC(=O)c1ccc(OC[C@@H]2CCCO2)cc1 27649834 YULJLVFBFNUGHM-INIZCTEOSA-N 312.369 3.200 0 40 DGAB COc1ccc(NC(=O)CCCc2nc3ccccc3o2)cn1 31815309 IIMUAFAZPIDXJP-UHFFFAOYSA-N 311.341 3.193 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc(-n3cccn3)c2)c1 32925839 LEAJRALAFRDUMM-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)COc2ccccc2F)c1 23142458 WVFNRJQGDWLTQW-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB Cc1cccnc1NC(=O)NC(C(F)(F)F)C(F)(F)F 550270 ZDAYCGRIGMSMQL-UHFFFAOYSA-N 301.190 3.005 0 40 DGAB CCn1c(=O)c(C(=O)Nc2ccc(C)cc2)c(O)c2ccccc21 100498435 YTRSDDHFIJFNIY-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB COCCCNC(=O)c1cc(-c2ccccn2)nc2ccccc12 6919905 FBLADKIOVYWVMV-UHFFFAOYSA-N 321.380 3.063 0 40 DGAB CC(=O)CC(=O)N(CCc1ccccc1)CCc1ccccc1 1616417 UDCKSCFDTKALSW-UHFFFAOYSA-N 309.409 3.280 0 40 DGAB CSCC[C@H](NC(C)=O)C(=O)Oc1cccc2ccccc12 2572076 FGHRSVXVKOEYHM-HNNXBMFYSA-N 317.410 3.003 0 40 DGAB CC1=NN(c2ccc(C(=O)N[C@@H](C)c3ccncc3)cc2)CC1 40544198 GVCJCLPTBTYMRL-AWEZNQCLSA-N 308.385 3.159 0 40 DGAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c(OC)c1 3386423 UXTYMWPXBINIIJ-GFCCVEGCSA-N 314.337 3.132 0 40 DGAB CCCCC1=NN(C(=O)c2ccc(C)o2)[C@](O)(C(F)(F)F)C1 4009314 KHLOONPQGBEMCJ-CYBMUJFWSA-N 318.295 3.231 0 40 DGAB CCCC(=O)N1c2ccc(-c3csc(N)n3)cc2C[C@@H]1C 4929767 AEDOIDKXRHGTQB-JTQLQIEISA-N 301.415 3.470 0 40 DGAB CCN1CC[C@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 4952822 HGHSAQKKTCGYPM-ICSRJNTNSA-N 309.409 3.099 0 40 DGAB Cc1cc(C(=O)COc2ccc(C(N)=O)cc2)c(C)n1C(C)C 6290029 GQSHQDYRRWKSOP-UHFFFAOYSA-N 314.385 3.046 0 40 DGAB COc1ccc(OC[C@H](O)CN2CCCCC2)c(C(C)(C)C)c1 6306041 ZZTSUGQTZLFYFX-OAHLLOKOSA-N 321.461 3.218 0 40 DGAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccccc1 7051654 DSTUZJIQNKIFHA-UHFFFAOYSA-N 302.399 3.088 0 40 DGAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)cc1 257294 CXSRQLAABSZETK-HXUWFJFHSA-N 323.392 3.247 0 40 DGAB Cc1ccc(CCC2CCN(c3ncccc3C(N)=O)CC2)cc1 29440948 LVHQFARUMVESCW-UHFFFAOYSA-N 323.440 3.338 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cc(F)ccc2F)c(C)c1 29702738 RJPCWXZDDRKFOS-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB C[C@@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccccc2)C1=O 60374852 LMKWMRFVEWQVDA-HNNXBMFYSA-N 320.801 3.369 0 40 DGAB COc1ccc(CNCc2ccc(C(=O)O)cc2)cc1Cl 20928033 DHHHBHGVUGSXIZ-UHFFFAOYSA-N 305.761 3.337 0 40 DGAB CCCCN(CCCC)C(=O)CN(C)Cc1cnc(C)s1 52101011 MSQNGGQGHPRBBI-UHFFFAOYSA-N 311.495 3.312 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cncc(-c2cnn(C)c2)c1 69704375 BMSQYELRUDQCPU-CYBMUJFWSA-N 318.380 3.074 0 40 DGAB CC(C)c1nnc(SCC(=O)Nc2ccc(F)cc2F)o1 32883615 XWKLBPSFWGIHSF-UHFFFAOYSA-N 313.329 3.202 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 101276516 FNIHVIVCRLNDDO-INIZCTEOSA-N 312.344 3.132 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N[C@H](C)c1ccc(Cl)s1 33193348 USUPGTXBNHPDEX-SECBINFHSA-N 311.838 3.172 0 40 DGAB C[C@@]12C[C@H](NC(=O)N1c1cccc(C(=O)O)c1)c1ccccc1O2 100853565 VCKXLTWFHBRJCE-KBXCAEBGSA-N 324.336 3.154 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)c1 52915476 MYLHYEVDLIRNCC-YOEHRIQHSA-N 300.402 3.440 0 40 DGAB O=C(c1ccco1)c1cn(CC(=O)N2CCCC2)c2ccccc12 560615 OAYMPSDPTLVSKL-UHFFFAOYSA-N 322.364 3.088 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)c2cc3ccccc3[nH]2)C1 53391590 IWAYGWSXIDXAFT-CQSZACIVSA-N 313.445 3.408 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N(C)Cc1c(F)cccc1Cl 22019663 WLYIFVUZAKXRRD-UHFFFAOYSA-N 323.799 3.031 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H](c2cn[nH]c2)C1 89774911 AOPZUQCLPTYQNB-RRQGHBQHSA-N 313.376 3.059 0 40 DGAB C[C@@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)c1nccs1 101682204 SEXLBIWUBJNGCC-VXGBXAGGSA-N 311.451 3.145 0 40 DGAB O=C(NC1CCCCC1)c1nc(Cc2c[nH]c3ccccc23)no1 12389873 ORUXAGKHBPGBNR-UHFFFAOYSA-N 324.384 3.204 0 40 DGAB O=S1(=O)C(c2ccccc2)=C(O)c2cc3ccccc3nc21 104202975 SOSCJDTZADMNKQ-UHFFFAOYSA-N 309.346 3.406 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1 7053209 PGAXJMOIEAGZJZ-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB O=C(C1[C@@H]2CCC[C@@H]12)N(Cc1cccs1)C[C@@H]1CCCO1 108122208 VRBIPCHEUVVGPT-NWANDNLSSA-N 305.443 3.302 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccc(F)cc1 3225059 VEYJRKYSOWGQRM-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB Cc1nc(CN(C)C(=O)NCc2cc3ccccc3[nH]2)cs1 57643881 NXQKJRMTDGNTEB-UHFFFAOYSA-N 314.414 3.274 0 40 DGAB CC(C)[C@@H](C(=O)Nc1ccc(F)cc1Cl)N1CCCC1=O 58151854 CNSKNWZBZLFKQV-AWEZNQCLSA-N 312.772 3.065 0 40 DGAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCCC1 58208594 UDEPGYPECFUQCS-GFCCVEGCSA-N 308.372 3.098 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccncc1)c1nc(-c2ccccc2)no1 58219002 KSUYLNDOEMKFRP-OAHLLOKOSA-N 322.368 3.259 0 40 DGAB CCN(CC)CC1CCN(C(=O)/C=C/c2csc(C)n2)CC1 58392521 PTQCLDZOULQTAU-VOTSOKGWSA-N 321.490 3.045 0 40 DGAB CCOc1ncccc1CNC(=O)Nc1cc(F)ccc1F 58326764 ZYXWKYBUZWWUDK-UHFFFAOYSA-N 307.300 3.080 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cc(C)on3)cc2)n1 27970529 IRRWZDCYJZTTMK-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB CCCC(=O)Nc1cccc(NCC(=O)N2CCCCC2)c1C 58440282 BJVYJXAYWMYALX-UHFFFAOYSA-N 317.433 3.158 0 40 DGAB COc1ccccc1CC(=O)OCc1nc2ccccc2nc1C 12792132 WPDKUFZBBFWGQG-UHFFFAOYSA-N 322.364 3.233 0 40 DGAB O=C(CSc1nnc2ccccn12)NC1CCCCCCC1 3505710 LLCZIUFBSQUMNO-UHFFFAOYSA-N 318.446 3.051 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)Sc1n[nH]c(N)n1 13121241 AONLUNOIWFKRKK-NXEZZACHSA-N 319.434 3.020 0 40 DGAB C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1ccsc1 90526337 LZMBKABBWSXSDN-XKQJLSEDSA-N 308.491 3.167 0 40 DGAB Cc1ccc(CN(C)C(=O)/C=C/c2cnn(-c3ccccc3)c2)o1 68251757 OKDSQWOODKXNEC-PKNBQFBNSA-N 321.380 3.446 0 40 DGAB CC(C)(C)c1ncc(NC(=O)c2ccn(-c3ccccc3)n2)cn1 63817867 GKHMBNCXEDHZAZ-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB COc1ccc(OC)c(-c2csc(NC(=O)CSC)n2)c1 7757673 HANBWWKZGPQUQW-UHFFFAOYSA-N 324.427 3.129 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@H]2C)cc1 7786485 XXZAYYGGTQVCGP-MZKQWIHFSA-N 301.386 3.181 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 7928286 MIMYUTJQGOUWPH-LBPRGKRZSA-N 320.820 3.142 0 40 DGAB CCCN(C)C[C@H]1CCN(C(=O)c2cc3ccccc3o2)C1 81361420 GBYLNCLMRJENJA-CQSZACIVSA-N 300.402 3.237 0 40 DGAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccccc1F 6634814 KJAWJBZDXXCDAP-VIFPVBQESA-N 322.723 3.058 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 66707364 MSTFUKJETWXEBD-MLGOLLRUSA-N 307.340 3.221 0 40 DGAB Cn1cc(CNc2cncc(SCc3ccccc3)n2)cn1 89755802 MUMZAURUJVRKLQ-UHFFFAOYSA-N 311.414 3.115 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 69808237 OPOMPPCFKAMRHL-OAHLLOKOSA-N 303.431 3.049 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 69981940 MHCXWZXUPRKWLK-KRWDZBQOSA-N 322.412 3.010 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89895021 AUNPZZUMIGPBTC-FZKQIMNGSA-N 308.381 3.410 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cn1 71797012 RMHUELSEXOWITM-CQSZACIVSA-N 307.756 3.190 0 40 DGAB O=S(=O)(NNc1ccccc1)c1ccc(Cl)c(Cl)c1 9550275 DUYFGBUCIXDNJP-UHFFFAOYSA-N 317.197 3.299 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)c3ccn(C(C)C)n3)C2)n1 72299586 JNZIEIBGPLHCJS-ZDUSSCGKSA-N 318.446 3.249 0 40 DGAB CS(=O)(=O)Nc1ccc(-c2cccc(C(F)(F)F)c2)cn1 97098329 ILXSSJWRVBVBFZ-UHFFFAOYSA-N 316.304 3.139 0 40 DGAB Cc1ccccc1[C@@H](O)CNC(=O)C(C)(C)c1cccs1 84235180 HVVSXQMEANJPLA-AWEZNQCLSA-N 303.427 3.184 0 40 DGAB Cc1cc(Cl)c(NC(=O)N[C@@]2(C)CCOC2)c2cccnc12 95440656 NNVLXRIRRURXSL-INIZCTEOSA-N 319.792 3.497 0 40 DGAB CCC(=O)N1CC[C@H](N[C@H]2CCCOc3c(C)cc(C)cc32)C1 95423904 CDYGFJSTHIBSMY-RDJZCZTQSA-N 316.445 3.118 0 40 DGAB CCc1ccccc1NC(=O)C[C@H](C)NCCc1ccccn1 95419141 IKUGWPNKKYNYIC-HNNXBMFYSA-N 311.429 3.193 0 40 DGAB CC[C@H](COC)NC(=O)CCc1ccc(C(F)(F)F)cc1 78843217 SGWXAXJYPOZQJO-CYBMUJFWSA-N 303.324 3.179 0 40 DGAB Cc1nnc(CN2Cc3ccccc3-c3ccccc3C2)n1C 95952835 QMJJJHJNWHKJOZ-UHFFFAOYSA-N 304.397 3.306 0 40 DGAB Brc1cnc(N2CCCc3ccccc3C2)nc1 95954816 CQTDNRNDPVOOJD-UHFFFAOYSA-N 304.191 3.192 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@H]2C2CCC2)c1OC 89471484 BQEKJWFQNXUMGK-HNNXBMFYSA-N 318.417 3.178 0 40 DGAB Cc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1C 31872486 XCAWNPRWZIJGTB-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3C)c2)cc1 30585144 OINPVZPUXDJQHI-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cn(-c3ccc(C)cc3)nn2)c1 31732315 NLOQCDSVRAGSKX-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB CCN1CCN(C(=O)c2cccc(-c3ccc(F)cc3)c2)CC1 72264654 JHFPDBXZMSVSTR-UHFFFAOYSA-N 312.388 3.270 0 40 DGAB COCc1ccccc1NC(=O)N1CCOC[C@@H]1CC(C)C 77201689 BKHQUMSTIIOHBO-HNNXBMFYSA-N 306.406 3.112 0 40 DGAB CCOc1ccc(C(=O)n2cc(C(=O)O)c3ccccc32)cc1 216957769 PXTLZVBOGFYLHV-UHFFFAOYSA-N 309.321 3.427 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CCc1cn(C)c2ccccc12 79491092 NWYOOLYFPGXUBA-UHFFFAOYSA-N 310.401 3.100 0 40 DGAB COC(=O)c1cccc(-c2noc([C@H]3C[C@H]3c3ccco3)n2)c1 195531193 VOOFGSNIJAAEEW-OLZOCXBDSA-N 310.309 3.387 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(N2CCCC2)ncn1 225535547 SIWHYAHOUABNIH-UHFFFAOYSA-N 320.755 3.122 0 40 DGAB Cc1cc(C(=O)N[C@@H]2COc3ccccc32)nc2ccccc12 195738765 IHIXDPOVTRJBOX-QGZVFWFLSA-N 304.349 3.407 0 40 DGAB COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)o2)c(N)c1 226304875 MPUCKBDJENILAW-GFCCVEGCSA-N 314.385 3.410 0 40 DGAB COc1ccc(CCC(=O)N(C)Cc2ccc(OC)cc2)cc1 44818467 GMSVCZSZBJVGBW-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB Cc1n[nH]cc1CNc1ccc(F)cc1OCC(F)(F)F 89793386 XSCLSVSXVQVRFV-UHFFFAOYSA-N 303.259 3.410 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)cc2)cc1N 226267978 QEDFDANXGZWVPX-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB COc1ncc(NC(=O)Nc2cccc(C(F)(F)F)c2)cn1 75172151 FKHUUTDGYOMGSG-UHFFFAOYSA-N 312.251 3.148 0 40 DGAB Cc1ccc(OCC(=O)NCCOc2cccc(C)c2C)cc1 223962050 NPTAJWATPRNMBN-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CS[C@@H]1CC[C@H](N[C@@H](C)CC(=O)N(C)c2ccccc2)C1 195541113 ZMYPPYZYMBRJPI-OFQRWUPVSA-N 306.475 3.302 0 40 DGAB C[C@H](CN(C)c1ccccc1)NCc1ccc([S@](C)=O)cc1 221327492 PKOSIAQRQBUHRN-QRQCRPRQSA-N 316.470 3.039 0 40 DGAB COc1cccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225061469 SJURMAOGLIYWEA-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CO[C@@H]1CC2(CCN(C(=O)C(C)C)CC2)c2cc(F)ccc21 96241665 UFCCLJWRJSOCES-MRXNPFEDSA-N 305.393 3.433 0 40 DGAB CCN(CC1CCOCC1)C[C@@H]1CCN(Cc2ccccc2)C1 96441777 UYESUYKWKGACMD-FQEVSTJZSA-N 316.489 3.257 0 40 DGAB COc1cccc(CN(Cc2ccncc2)C[C@@H]2CCCO2)c1 96424619 YFRSHYZOFRBFGA-IBGZPJMESA-N 312.413 3.271 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)c(C)c2)cc1 98071589 BEKJCXUJWJXPNS-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB O=C(c1cc[nH]c1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 97238622 BSXDQMBBDBWJFT-AWEZNQCLSA-N 324.302 3.247 0 40 DGAB COC(=O)[C@@H](Sc1nccn1C1CC1)c1ccc(F)cc1 96409766 SHNJBDWBROQORJ-ZDUSSCGKSA-N 306.362 3.364 0 40 DGAB Cc1nc(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)cs1 257218974 DFBNQLCQWABQDN-XOKHGSTOSA-N 315.442 3.136 0 40 DGAB CC(C)c1noc(CCNC(=O)N(C)[C@@H](C)C2CCCCC2)n1 252504498 VJNVWJJIJQGKBT-ZDUSSCGKSA-N 322.453 3.346 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@]43C)[C@H]1CCC2=O 257345887 MGUDNDBPVZPSQA-CLJXZBEYSA-N 302.414 3.346 0 40 DGAB O=C(NCC[C@@H](O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 90612910 CBIKWRCLCJVQDC-JKJYUFNASA-N 303.402 3.036 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1CCCc2ccccc21 56026190 XBULGHNUBWCVKI-GOSISDBHSA-N 311.429 3.277 0 40 DGAB FC(F)(F)c1nnc2ccc(Nc3ccc4[nH]ccc4c3)nn12 69631867 VXGUFKUVDXMVOS-UHFFFAOYSA-N 318.262 3.368 0 40 DGAB CC[C@@H]1CN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CCO1 78455545 IKWLLOLPZZVLNA-GXTWGEPZSA-N 319.380 3.356 0 40 DGAB COC[C@@H](C)C(=O)N(c1ccccc1)C1Cc2ccccc2C1 95962910 HOTWGYNAHLQRKX-OAHLLOKOSA-N 309.409 3.470 0 40 DGAB O=C(/C=C/c1cccc(O)c1)NCc1ccccc1OC(F)F 96004279 CXSWOQRIPSCCMH-CMDGGOBGSA-N 319.307 3.323 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)c1[nH]c2c(Cl)cccc2c1C 12196257 RWFMXHUYQOEBEU-UHFFFAOYSA-N 316.792 3.400 0 40 DGAB CC[C@@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 12362816 UWIIJQYLHASQPQ-INIZCTEOSA-N 314.429 3.274 0 40 DGAB Cc1nonc1CN(C)Cc1ccccc1N1CCCCC1 19658694 IDFATXYQTPYRPV-UHFFFAOYSA-N 300.406 3.000 0 40 DGAB Fc1c(Cl)cccc1CNCCCOC1CCOCC1 150991053 QNLDMWRJGHILAH-UHFFFAOYSA-N 301.789 3.154 0 40 DGAB CCCC(=O)Nc1cc(OC)ccc1-c1ccc(C(=O)O)o1 226351856 SJBDQTKKKWWORQ-UHFFFAOYSA-N 303.314 3.392 0 40 DGAB COCCN(C)C(=O)c1sc(-c2ccccc2Cl)nc1C 50336359 UPCFITPXPCKDQL-UHFFFAOYSA-N 324.833 3.490 0 40 DGAB CN(C)[C@@H](CNC(=O)C1CCC1)c1csc2ccccc12 1888864219 UKKJFGKPBAMVQU-HNNXBMFYSA-N 302.443 3.420 0 40 DGAB O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)C1=COCCO1 4136702 NEIMXLJWDPPUOC-UHFFFAOYSA-N 321.336 3.057 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4264630 ABVGGODDWYWJNB-UHFFFAOYSA-N 313.313 3.369 0 40 DGAB COc1ccc(NC(=O)c2ccc3ccn(C)c3c2)c(OC)c1 40266176 RBQRBHGEJHWQHV-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB COc1cc2cc(-c3nc4ccccc4[nH]3)c(N)nc2cc1OC 99991 PAANAWJFVIANIC-UHFFFAOYSA-N 320.352 3.378 0 40 DGAB COC(=O)c1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1 176824 HFAKIOPEXYKWJO-LFIBNONCSA-N 321.332 3.126 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(F)cc1 352008 PAYQJDKLUZLLBY-NSHDSACASA-N 317.316 3.018 0 40 DGAB Cn1c(SCC(=O)c2ccc(Cl)cc2)nnc1C1CC1 410388 ZDIOTLFGEMXPOT-UHFFFAOYSA-N 307.806 3.321 0 40 DGAB O=C(CSc1nnc(-c2ccco2)o1)c1ccc(F)cc1 421911 VHOIENOEUMBCBY-UHFFFAOYSA-N 304.302 3.444 0 40 DGAB O=C(CSc1nccn1-c1ccccc1)Nc1nccs1 427347 MVXGIEBPAOZLGD-UHFFFAOYSA-N 316.411 3.060 0 40 DGAB COc1ccc(-c2coc3cc(OC(C)=O)ccc3c2=O)cc1 491070 GGGJVAAAUYBGSQ-UHFFFAOYSA-N 310.305 3.394 0 40 DGAB biogenic CN(C(=O)c1ccccc1F)c1nnc(-c2ccncc2)s1 1356624 UBAFIKSFRRXDTB-UHFFFAOYSA-N 314.345 3.016 0 40 DGAB CC(C)[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccccc1 1381117 RTEYXDQOYOCMSL-OAHLLOKOSA-N 317.410 3.246 0 40 DGAB O=C1OCC2=C1[C@H](c1ccccc1F)CC(=O)N2c1ccccc1 1427586 JWTDLFVLHXERKV-AWEZNQCLSA-N 323.323 3.157 0 40 DGAB COC(=O)Nc1ccc(Br)cc1Br 2745704 LPHMYWXXXTZGFR-UHFFFAOYSA-N 308.957 3.390 0 40 DGAB COc1ccc2c(c1)C(=O)N(Cc1ccccc1)C(=O)C2(C)C 3066949 CKSFRAWCJQVPBE-UHFFFAOYSA-N 309.365 3.155 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4301440 NAPXDARGVCDQLV-UHFFFAOYSA-N 308.337 3.401 0 40 DGAB COc1ccc(NC(=O)C2(c3cccs3)CCOCC2)cc1 4376508 YMACJXBSJAYIJH-UHFFFAOYSA-N 317.410 3.444 0 40 DGAB Cc1ccc(-c2noc(CCCC(=O)NC(C)(C)C)n2)cc1 4433901 PKQYFPQPRZNLMV-UHFFFAOYSA-N 301.390 3.282 0 40 DGAB C[C@@H](NC(=O)CCC(=O)NCCc1ccccc1)c1ccccc1 4674966 JNAAKJPSGGUPLT-MRXNPFEDSA-N 324.424 3.003 0 40 DGAB COC(=O)c1ccc(CSc2nnc(-c3ccco3)o2)o1 4828420 FJRANPPELXJQEC-UHFFFAOYSA-N 306.299 3.002 0 40 DGAB Brc1cccc(OCc2nnc3n2CCCCC3)c1 4933033 UWXVJAMUBDCXQU-UHFFFAOYSA-N 322.206 3.346 0 40 DGAB CCOc1cccc(C(=O)Nc2nonc2-c2ccccc2)c1 5422440 HUMWCSBIAOJKPX-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB O=C(NC[C@@H]1CCCN2CCCC[C@H]12)c1ccccc1Cl 5771682 ZZHFJTWJGFOXMO-XJKSGUPXSA-N 306.837 3.334 0 40 DGAB COc1ccc(-c2n[nH]c(S[C@@H]3CCCCC3=O)n2)cc1 6141905 VPUOFHNFXNQRRF-CYBMUJFWSA-N 303.387 3.084 0 40 DGAB CCCCC(=O)NC(=S)Nc1ccccc1N1CCCC1 6569731 UTOODKFQRSRJJE-UHFFFAOYSA-N 305.447 3.290 0 40 DGAB Cc1cc2oc(C(=O)NCc3ccccc3)cc(=O)c2cc1C 6811382 HDNJIEVBLNIKEO-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB c1ccc(-n2ncc3c(SC[C@@H]4CCCO4)ncnc32)cc1 6829733 VGXYPVJKBGWUTA-ZDUSSCGKSA-N 312.398 3.087 0 40 DGAB CCC(=O)c1ccccc1OCC(=O)NCc1ccc(F)cc1 6881224 VOPPTXCWEZTDNI-UHFFFAOYSA-N 315.344 3.114 0 40 DGAB C[C@H](SCC(=O)Nc1nccs1)c1nc2ccccc2[nH]1 7654932 IQNCWWKZFOUZHT-VIFPVBQESA-N 318.427 3.452 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)s2)cc1 7979734 AQAKKFFBRXSCKW-UHFFFAOYSA-N 323.801 3.460 0 40 DGAB O=C(OCc1ccccc1Cl)[C@@H]1COc2ccccc2O1 8282124 QVPWZAYIDKILCX-HNNXBMFYSA-N 304.729 3.223 0 40 DGAB Cc1cc(C)n([C@@H](C)CC(=O)NCc2ccc(Cl)cc2)n1 8605228 FNSMRGLUXFYUEL-ZDUSSCGKSA-N 305.809 3.421 0 40 DGAB Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)n1C 9328380 YTCDZXJLDTVKDE-UHFFFAOYSA-N 316.213 3.405 0 40 DGAB O=C(NC[C@H]1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2 10220541 KEPSFVUKRYQNFQ-KUNBBXKYSA-N 319.445 3.005 0 40 DGAB CN(Cc1ccccc1Cl)C(=O)Nn1cnc2ccccc21 10402632 CSQBLEZZTUPEOY-UHFFFAOYSA-N 314.776 3.485 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3CCO[C@@H](C)C3)sc2n1 11504234 OTQRQTJYUXNUOG-NSHDSACASA-N 304.415 3.082 0 40 DGAB CN(C)c1ccc(CCNC(=O)c2c(F)cccc2F)cc1 11693597 IQXMHAQJSRUPLU-UHFFFAOYSA-N 304.340 3.003 0 40 DGAB O=C1S[C@H](Nc2ccccc2)C(=O)N1c1ccc(F)cc1 12112993 QIHJPAVWRHZZHD-ZDUSSCGKSA-N 302.330 3.464 0 40 DGAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cnccn1 12146480 SOSBNAJYIZZKPL-OAHLLOKOSA-N 323.396 3.433 0 40 DGAB O=C(Cc1c(F)cccc1Cl)Nc1ccc(C(=O)O)cc1 13166511 PFDDQGVHXJSKNW-UHFFFAOYSA-N 307.708 3.359 0 40 DGAB CCc1cc(Nc2ccc(OC(F)(F)F)cc2)n2ncnc2n1 13365084 CCCGURIYMJQCLP-UHFFFAOYSA-N 323.278 3.329 0 40 DGAB COc1ccc2[nH]c(=O)c(CNc3ccc(F)cc3F)cc2c1 13561414 CZQFKWXZXSEWRF-UHFFFAOYSA-N 316.307 3.427 0 40 DGAB Cc1ccccc1-n1ncc2c(N3CCC(C)CC3)ncnc21 15880884 SWLWQMCYAZPDOT-UHFFFAOYSA-N 307.401 3.360 0 40 DGAB CC[C@@H]1CCc2sc(C(=O)NC3CCN(CC)CC3)cc2C1 16605326 JJSWCYYRVPCFAF-CYBMUJFWSA-N 320.502 3.477 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)Nc2ccnn2C(C)C)c1 22290353 OUTNNFQKEBISMI-UHFFFAOYSA-N 316.361 3.285 0 40 DGAB COc1ccc(CN(C)[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 23814449 VJWPBACGWJXCST-ZDUSSCGKSA-N 323.396 3.125 0 40 DGAB O=C(OCc1noc(-c2ccco2)n1)c1cc2ccccc2[nH]1 23946318 CSJVBDVGHRAVCY-UHFFFAOYSA-N 309.281 3.168 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cncn1 24749048 QHWOWRRIVJOHEB-ZDUSSCGKSA-N 308.341 3.270 0 40 DGAB COCc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 25334435 FPHOFRQOQHCEKI-UHFFFAOYSA-N 324.380 3.212 0 40 DGAB Cc1cc(O[C@@H](C)C(=O)Nc2nonc2C)cc(C)c1Cl 27664721 JVQXNHDZFILDMV-JTQLQIEISA-N 309.753 3.054 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCC[C@H]2c2nnc3ccccn23)o1 31500928 NBZYBGZGHRXOOX-FEAKQIBJSA-N 322.368 3.008 0 40 DGAB Cc1cccc(N2CC(=O)N(c3cccc(C)c3C)CC2=O)c1C 32647181 VVPGRUZRRDARTQ-UHFFFAOYSA-N 322.408 3.300 0 40 DGAB COc1ccc(CN(C)Cc2nc3ccccc3o2)cc1OC 32751376 WHHQNVRRAURYCY-UHFFFAOYSA-N 312.369 3.477 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)/C=C/c1cccc(F)c1 32769690 BBSHNCLWJGCJPC-AATRIKPKSA-N 309.291 3.089 0 40 DGAB CCN(Cc1cccs1)C(=O)c1ccc2c(c1)CCC(=O)N2 32836750 TVFPLXKZHZBJGV-UHFFFAOYSA-N 314.410 3.295 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(Oc2cnccn2)cc1 32930801 XJNOTFHFWAEHGO-UHFFFAOYSA-N 321.336 3.286 0 40 DGAB COC(=O)c1cccc2nc([C@H]3CCN(CC(C)C)C3)oc12 35446945 ICCFVMJZRXYCJK-LBPRGKRZSA-N 302.374 3.060 0 40 DGAB biogenic,in-vitro Cc1ccccc1CN1CCC(C(=O)NCc2ccco2)CC1 39759987 FUVZYOTWLAFZKX-UHFFFAOYSA-N 312.413 3.116 0 40 DGAB Cc1noc(CN2CCC[C@@H]2c2nc3ccccc3s2)n1 40487905 ZHIRLWWCXHOLGW-GFCCVEGCSA-N 300.387 3.325 0 40 DGAB COc1ccc(NC(=O)N(C)Cc2ccsc2)cc1OC 40525902 BOYIQFNUXWJNII-UHFFFAOYSA-N 306.387 3.429 0 40 DGAB C[C@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nncn1C 40538654 OOEJNNIZCJBTJB-LURJTMIESA-N 305.691 3.055 0 40 DGAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccc(F)cc1 40621168 AMPIDAFPFPRFAP-UHFFFAOYSA-N 321.417 3.266 0 40 DGAB CC(C)CO[C@@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 42723046 CDJJFRGFRCUQBU-AWEZNQCLSA-N 324.852 3.050 0 40 DGAB CCNC(=O)c1cccc(NC(=O)N[C@H](C)c2cccs2)c1 43680148 BWMPGYQTVDHTJF-LLVKDONJSA-N 317.414 3.381 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 44888980 ITPNSMADMGBOGX-HOCLYGCPSA-N 313.397 3.478 0 40 DGAB O=C(O)C/C(=C/c1csnn1)c1nc2ccccc2s1 48481916 CYMLCNJCEWDPLR-YVMONPNESA-N 303.368 3.163 0 40 DGAB CCCN1C(=O)c2ccc(Cl)cc2N[C@@H]1c1csnn1 48622318 SJVZRSGPHOGUFI-LBPRGKRZSA-N 308.794 3.168 0 40 DGAB CN(c1ccccc1)c1ccccc1NC(=O)COC(=O)C1CC1 50434044 VCWAQJYPQVNTIJ-UHFFFAOYSA-N 324.380 3.346 0 40 DGAB CCN(C(=O)COC(=O)c1ccc(C)c(F)c1)c1ccccc1 51357321 JUQYYBXDXUWFTQ-UHFFFAOYSA-N 315.344 3.344 0 40 DGAB CCCN(C(=O)[C@@H]1COCCO1)[C@H](C)c1cc2ccccc2o1 53371499 MZYHIHGAUUBBPW-DYVFJYSZSA-N 317.385 3.148 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)CCc1c[nH]c2ccccc12 53434883 ILOJDTDCFCAUKK-OAHLLOKOSA-N 300.402 3.128 0 40 DGAB CCN(Cc1ccncc1)C(=O)c1cc(-c2ccccc2)[nH]n1 53601095 PYWVUILVAXMBJL-UHFFFAOYSA-N 306.369 3.134 0 40 DGAB O=C(Nc1ccnn1Cc1ccc(C(F)(F)F)cc1)C1CC1 57590107 SOWDHIOMDYZNHE-UHFFFAOYSA-N 309.291 3.299 0 40 DGAB C[C@H](C(=O)NC1CC1)N1CCC(c2cc3ccccc3[nH]2)CC1 58281909 BXJLVIUMZJRNLC-CYBMUJFWSA-N 311.429 3.014 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)c1 59227286 FNESOOSOYXERMA-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB FC(F)(F)c1cccc(CN2CCC(n3cncn3)CC2)c1 60296477 NRMNUVNZGFCMPF-UHFFFAOYSA-N 310.323 3.134 0 40 DGAB COCCN(C)C(=O)c1cnc(-c2ccccc2Cl)s1 64933892 UQFJCIZOTNEFQD-UHFFFAOYSA-N 310.806 3.182 0 40 DGAB C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1 65522255 WUWKEGSSEPWYBO-MEDUHNTESA-N 320.339 3.059 0 40 DGAB C[C@H]1CN(C(=O)CSCc2cccc3ccccc23)CCO1 65604861 ZNEHAFWMDGJCRD-AWEZNQCLSA-N 315.438 3.320 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)O)[C@H]1c1ccccc1 66354363 ORQZQOCBEQAYBJ-UONOGXRCSA-N 305.374 3.459 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)no1 67888533 TZMHAERUKHOXIJ-GFCCVEGCSA-N 319.792 3.305 0 40 DGAB CCS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@H]2C)cc1 68986056 NKMBFBYZIBXXNX-CZUORRHYSA-N 323.458 3.131 0 40 DGAB O=C(NCc1ccsc1)Nc1ccc(Cn2cccn2)cc1 69201140 UBXGDWHUXHDAEY-UHFFFAOYSA-N 312.398 3.315 0 40 DGAB c1ccc2c(NCCn3cccn3)nc(-c3ccncc3)nc2c1 70016283 KYWQSTGCXGXFCX-UHFFFAOYSA-N 316.368 3.000 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@H]2CCCC[C@@H]21 71846880 VNIODUUACNRHJS-DYVFJYSZSA-N 310.397 3.323 0 40 DGAB COC(=O)NCc1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1 71910254 FKEHPPJVMZSPHM-NSHDSACASA-N 318.377 3.222 0 40 DGAB Cc1cc(N(C)C)ncc1[C@H]1CCCN1C(=O)c1ccccc1 72218688 RKAONRHFZFNWLY-QGZVFWFLSA-N 309.413 3.433 0 40 DGAB N[C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 72227111 XSTYFAKLOQDJDA-KGLIPLIRSA-N 306.287 3.121 0 40 DGAB CCN(C(=O)c1ccc(N2CCCC2)nc1)c1nc(C)cs1 74063356 LZEBUNXDOSWXTK-UHFFFAOYSA-N 316.430 3.113 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1ccsc1 75130043 JNWRXPGDNPJQPL-OAHLLOKOSA-N 317.458 3.395 0 40 DGAB Cc1ccc(Nc2nnc(SCc3ncnn3C)s2)cc1 78929667 FOZZIMMPPLBRJT-UHFFFAOYSA-N 318.431 3.011 0 40 DGAB CCc1cnc(CSc2nc3ccc(C(=O)OC)cc3o2)o1 78983823 GCTBPSQDNQKINA-UHFFFAOYSA-N 318.354 3.457 0 40 DGAB CC(C)c1cccc(N(C)S(=O)(=O)CC2CCOCC2)c1 78995967 PHSHRVWBWSPTHC-UHFFFAOYSA-N 311.447 3.003 0 40 DGAB Nc1cc(N2CCC(N3CCCC3)CC2)cc(C(F)(F)F)c1 79069777 QPVBTKYCMSXJSX-UHFFFAOYSA-N 313.367 3.352 0 40 DGAB Cc1cc(NC(=O)[C@@]2(C)CC2(Cl)Cl)nc(C(C)C)n1 84114283 MURMTQIGIWRETJ-GFCCVEGCSA-N 302.205 3.431 0 40 DGAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)c1ccon1 84374471 GSJLGIDWZWDMTG-OAHLLOKOSA-N 316.357 3.013 0 40 DGAB O=C(CCc1ccccn1)NC[C@H]1C[C@]12CCc1ccccc12 87413452 MHDXMRCZSIWUJO-OXQOHEQNSA-N 306.409 3.035 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)Cc2ccc(Cl)cc2)CC1 91057499 ZQWGZJUVHSOMAT-LBPRGKRZSA-N 310.825 3.091 0 40 DGAB C[C@H]1CC[C@H](Nc2cc(Cl)ccc2CS(C)(=O)=O)C1 92169823 IXGNOURLOVKHSU-GWCFXTLKSA-N 301.839 3.485 0 40 DGAB Cn1cc(CNC[C@H]2CCO[C@@H]2C(C)(C)C)c(C(C)(C)C)n1 93965661 KMDGTNMWROAKJP-CJNGLKHVSA-N 307.482 3.258 0 40 DGAB C[C@@H](NC(=O)NCC[C@@H](O)C(F)(F)F)c1cccc(Cl)c1 95399097 PWPCQUGURANXDV-LDYMZIIASA-N 324.730 3.014 0 40 DGAB c1cnc2c(CN[C@@H]3CCO[C@@]4(CCSC4)C3)cccc2c1 95425999 MPVQXOWPHVXIMM-AEFFLSMTSA-N 314.454 3.379 0 40 DGAB CCNCc1ccccc1NC(=O)[C@@H]1CCOc2ccccc21 95952880 XHRIQERUQXWFEZ-MRXNPFEDSA-N 310.397 3.301 0 40 DGAB CS[C@H]1CCC[C@@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 96409419 PDOHTOVPFVAZRC-YPMHNXCESA-N 324.421 3.188 0 40 DGAB C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc(-n2ccnc2)c1 96432084 DGVAYTUUWCDVIO-GXFFZTMASA-N 324.211 3.243 0 40 DGAB Cc1ccc2nc([C@@H]3CCCN(CCC(C)(C)O)C3)[nH]c2c1 96490612 FEYJARDXNYFQEQ-CQSZACIVSA-N 301.434 3.212 0 40 DGAB COc1cccc2cc([C@@H](C)NCC3(OC)CCOCC3)oc12 96493466 OUIYGOZPVVFQOR-CYBMUJFWSA-N 319.401 3.288 0 40 DGAB C[C@H]1OCCN(C(=O)Nc2c(F)cc(Cl)cc2F)[C@@H]1C 97048855 YBFDTQPCTWDETA-HTQZYQBOSA-N 304.724 3.259 0 40 DGAB CCC(CC)[C@@H]1C[C@H](NC(=O)c2sc(C)nc2C)CCO1 97232824 DCIFEUOLFKJIEE-KGLIPLIRSA-N 310.463 3.474 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccnc1)[C@H](C)C2 97236788 OZFRJIGVWBPUHO-RDTXWAMCSA-N 309.413 3.465 0 40 DGAB N[C@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 100483525 SSPLHBMUYGJYBI-CQSZACIVSA-N 322.286 3.132 0 40 DGAB C[C@]12CNC[C@@](C)(CN(Cc3ccccc3Br)C1)C2 100542955 ZUVCCRBFBIACET-HOTGVXAUSA-N 323.278 3.271 0 40 DGAB Fc1ccc(C2=C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1 100904205 IEGLXBSNUHONMR-HNNXBMFYSA-N 311.295 3.007 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)o1 222857907 OKZJLQSBZRSVLY-CABCVRRESA-N 301.415 3.366 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC1CCCC1 223807151 UFLXFYPPYMKAIY-HNNXBMFYSA-N 316.445 3.181 0 40 DGAB COC(=O)[C@@H]1C[C@H](C(F)(F)F)CC2(C1)SCCS2 225757779 NXQICXCXFQIZLR-SFYZADRCSA-N 300.367 3.314 0 40 DGAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889354 GOGBERRIWPGZIS-PXAZEXFGSA-N 306.406 3.323 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccoc1C1CC1)Cc1ccccc1 252509327 YLBYUJUNPRCISF-MRXNPFEDSA-N 312.413 3.060 0 40 DGAB Cc1nc(C)c(CC(=O)N2CCC[C@@H](c3nccs3)C2)s1 257259127 KWYVKZNMAHDRLE-GFCCVEGCSA-N 321.471 3.165 0 40 DGAB Cc1ccnc([C@@]2(C)CCCN2C(=O)c2sccc2C)n1 257289251 PXSWEFAGZVKGEP-MRXNPFEDSA-N 301.415 3.306 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(Cc3csc(C)n3)C2)c1 257302098 SBNNGSQLXPDMTR-ZDUSSCGKSA-N 302.447 3.186 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1n[nH]c2c1CCCCCC2 257339490 ZBYXSBHOKRZXMP-UHFFFAOYSA-N 313.357 3.050 0 40 DGAB Cc1cc(Br)ccc1CN(C)Cc1cncn1C 390835326 KUSGHWCLLPNTGZ-UHFFFAOYSA-N 308.223 3.123 0 40 DGAB CC(C)(C)OC(=O)CC[C@H]1CCCCN1Cc1csnn1 585088812 NSNCBHKEOXDMSK-CYBMUJFWSA-N 311.451 3.015 0 40 DGAB Cc1ccc(NC(=O)CSC(C)(C)C)c(-c2nc[nH]n2)c1 585089567 XRRMLFRKHJWVLG-UHFFFAOYSA-N 304.419 3.250 0 40 DGAB Cc1cc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(Cl)cc2)no1 585269059 JETYZJKABGLNNC-IRXDYDNUSA-N 320.820 3.204 0 40 DGAB CCc1c(Cc2[nH]c(C)c(C(C)=O)c2C)[nH]c(C(=O)O)c1C 53046 JLOMDGPNTBMWOG-UHFFFAOYSA-N 302.374 3.322 0 40 DGAB COc1ccc2[nH]cc(C(=O)c3ccc(C)c(C)c3)c(=O)c2c1 248776 PNHRVDMKIPXFKL-UHFFFAOYSA-N 307.349 3.385 0 40 DGAB Cc1cccc(-n2ncc3c(NCc4cccnc4)ncnc32)c1 426466 XKXZORQORJHUKC-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB CCOC(=O)Cn1c(CCC(=O)O)ccc1-c1ccc(C)cc1 559541 YWMFMYHDKXHHDS-UHFFFAOYSA-N 315.369 3.044 0 40 DGAB CCOC(=O)COc1ccc2oc(-c3ccccc3)cc(=O)c2c1 1977941 AYEIMLZJSYWEDD-UHFFFAOYSA-N 324.332 3.402 0 40 DGAB O=C1CSc2ccc(C(=O)NCC3CCCCC3)cc2N1 3612792 AZVKUPNREXXVEG-UHFFFAOYSA-N 304.415 3.041 0 40 DGAB Cc1c(C(=O)C(=O)NCCc2ccccc2)c2ccccc2n1C 4062560 YLISTWVIUUYTRB-UHFFFAOYSA-N 320.392 3.028 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2F)c(C)c1C 4667056 JIBIXJXHWVTECQ-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccs1 4909283 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CC(=O)N1CCc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc21 25615597 RGDQAIVULHRBDT-AWEZNQCLSA-N 322.408 3.429 0 40 DGAB CC(C)Cn1c([C@@H](C)NC(=O)c2ccccc2)n[nH]c1=S 57291875 QVTAMVLQTYNIQS-LLVKDONJSA-N 304.419 3.088 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(c3ccccc3)CC2)n1 44583658 VXZKVOLANGXNRQ-AWEZNQCLSA-N 300.406 3.076 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@@H](c1ccccc1)c1ccco1)CN2 58331365 PNFSYFXDZPHHJL-KXBFYZLASA-N 322.412 3.205 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(F)c(Cl)c1 10511330 GDKQQEBEXPSTHF-UHFFFAOYSA-N 309.772 3.401 0 40 DGAB COC[C@@H](C)NC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 69419156 IDXYHWGLHGPEEZ-ZIAGYGMSSA-N 320.433 3.040 0 40 DGAB CC(C)(C)NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3320111 XSWUKVGFUSVMDN-UHFFFAOYSA-N 304.173 3.065 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)o1 12798827 JVHCEKNOOQTXEF-KBPBESRZSA-N 318.392 3.425 0 40 DGAB Cc1ccc(OCc2ccc(C(=O)Nc3nncs3)o2)cc1 12853243 QADUUWUZAQZOMN-UHFFFAOYSA-N 315.354 3.271 0 40 DGAB CCc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)sc1C 12974366 ZOEMOVHUFJAUQM-CYBMUJFWSA-N 303.431 3.160 0 40 DGAB C[C@@H](On1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)O 3855710 MKSDCECPVWEHCA-SNVBAGLBSA-N 316.744 3.258 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C 13673895 DZSTYFKRMZMMDX-CYBMUJFWSA-N 317.410 3.144 0 40 DGAB Cc1ccc([C@H](NC(=O)c2cnccn2)c2cccs2)cc1 13988513 RKKKEWBCWPLXHL-INIZCTEOSA-N 309.394 3.366 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)CCc3ccsc3)ccc21 14197463 WERIPXZWLMIXHV-UHFFFAOYSA-N 314.410 3.228 0 40 DGAB Cc1ccc(-c2nnn(CC(=O)c3ccc(Cl)s3)n2)cc1 5491904 JVAIIRNMJFXPCO-UHFFFAOYSA-N 318.789 3.246 0 40 DGAB COc1ccc(OC)c(NC(=O)CNc2ccc(C)c(F)c2)c1 6560780 GEEQVZDZBSPEIR-UHFFFAOYSA-N 318.348 3.202 0 40 DGAB CC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(OC)cc1 8725247 DDJGTIZRJFQXKC-HNNXBMFYSA-N 309.369 3.453 0 40 DGAB C/C=C/c1ccc(OC[C@H](O)CNC2CCCCC2)c(OC)c1 6627128 FEMFYRDBNGFPHC-OPQSBORISA-N 319.445 3.390 0 40 DGAB c1nc(NCCN2CCCCC2)c2c3c(sc2n1)CCCC3 4791586 WCOKIISWVBONDQ-UHFFFAOYSA-N 316.474 3.468 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccco2)cc1C 15306684 UQGYEIBHBCQKMZ-OAHLLOKOSA-N 300.402 3.206 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)N1CCCCCC1 7357840 VZFMMICIALEMNX-NSHDSACASA-N 321.402 3.213 0 40 DGAB CCN(CC)CN1C(=O)S/C(=C/c2ccccc2F)C1=O 20266004 IOHOPPGQIFECEF-UKTHLTGXSA-N 308.378 3.161 0 40 DGAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1C 7699075 LCOVNMSJDRMHBG-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1cc(F)cc(F)c1 16147648 NYYVUANIWYPBOA-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2C(=O)Nc3ccccc32)C1 91302984 HXCXILHDJLTTKB-DOMZBBRYSA-N 316.401 3.369 0 40 DGAB in-vitro Cc1nc2ccc(NC(=O)Cc3cn4ccsc4n3)cc2o1 71798153 BKWGWIDPAOJRNQ-UHFFFAOYSA-N 312.354 3.027 0 40 DGAB CN(Cc1nncn1C)[C@@H](c1ccccc1)c1ccc(F)cc1 89761931 LAXHSKNVYMUXMM-SFHVURJKSA-N 310.376 3.176 0 40 DGAB CCCCN(CC)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 9723046 CZVPOYPPLXXNBO-NSHDSACASA-N 306.431 3.382 0 40 DGAB C[C@@H]1C[C@@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 89920362 ZCVGCJCQBKGZHR-UKRRQHHQSA-N 316.474 3.482 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCCC[C@@H]1c1nccs1 72285900 MDZOQNUPMAFWNN-GFCCVEGCSA-N 303.387 3.376 0 40 DGAB Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 97035908 SFKVXILLGUNWRQ-QWHCGFSZSA-N 319.382 3.076 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)C[C@@H](C)c1c(C)n[nH]c1C 97022745 QUYYHOCTRYKSTL-NEPJUHHUSA-N 315.417 3.406 0 40 DGAB CO[C@H]1CCCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 84642862 MXIUEUQVKXUMSJ-STQMWFEESA-N 322.371 3.461 0 40 DGAB COC(=O)[C@@H](N[C@@H](C)c1ccccc1OC)c1ccc(F)cc1 84660864 REWBEPZQIMDMMD-SJCJKPOMSA-N 317.360 3.399 0 40 DGAB CCOc1cccc2cc([C@H](C)NC[C@]3(O)CCSC3)oc12 95987977 USNLNJRCEHFWJM-YVEFUNNKSA-N 321.442 3.350 0 40 DGAB COC(=O)[C@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OC 95941287 KNWOZMKRXGWWER-UONOGXRCSA-N 311.809 3.170 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCCCO1 79013869 BDHWQDPTECHRKC-SMDDNHRTSA-N 302.823 3.385 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NCc2ccc(-c3ccccc3)o2)c1 79413556 JKBIKLZBULHWHZ-UHFFFAOYSA-N 308.337 3.407 0 40 DGAB COCCCNC(=O)c1cc2occc2n1Cc1ccccc1 36360957 HPIQAMHWNFXEHH-UHFFFAOYSA-N 312.369 3.049 0 40 DGAB Cc1ccc(F)c(NC(=S)Nc2ccc(C(N)=O)cc2)c1 71325941 LBHVGULVZWMZCS-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB COc1ccc(C(=O)Oc2c(Cl)cc(CO)cc2OC)cc1 216782510 OUDGUGUTMYBNCH-UHFFFAOYSA-N 322.744 3.069 0 40 DGAB CSCc1cccc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 72240345 PJPRZTAKFUPOSV-BETUJISGSA-N 313.488 3.216 0 40 DGAB CN1CCC(N2CC[C@H](c3nc4ccccc4s3)C2)CC1 49168946 PBSBCXYHRUNEQA-ZDUSSCGKSA-N 301.459 3.180 0 40 DGAB biogenic,in-vitro CCCc1noc(C2CCN(C(=O)c3cc(C)oc3C)CC2)n1 41121861 XEMUIOXZNILCOQ-UHFFFAOYSA-N 317.389 3.252 0 40 DGAB COc1ccc(C(=O)NCCN(C)c2ccccc2)cc1Cl 224696694 GCLSFYSBKQEKPY-UHFFFAOYSA-N 318.804 3.215 0 40 DGAB C[C@@H](C(=O)NCc1cccs1)n1cc(-c2ccccc2)cn1 227165874 XLGCPUDBNROPBJ-ZDUSSCGKSA-N 311.410 3.489 0 40 DGAB Cc1cc(I)cc(C=O)c1OC(C)C 225272067 XGWDXIZVMNVIBB-UHFFFAOYSA-N 304.127 3.199 0 40 DGAB O=C(Cc1cncnc1)N(C1CC1)[C@@H]1CCCc2ccccc21 225557932 HHOABKCLPFBROV-GOSISDBHSA-N 307.397 3.088 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCc2ccccc2F)C1 48267581 FULSEZSWWCAXLE-HOTGVXAUSA-N 320.452 3.243 0 40 DGAB COc1cccc2ncnc(N3Cc4ccccc4O[C@H](C)C3)c12 581464337 KYHSMKUJGFFZCL-CYBMUJFWSA-N 321.380 3.426 0 40 DGAB c1c2c(nn1CC1CC1)[C@H](CNCC1CCCCC1)OCC2 96044378 OTNUVCSDEAXGLZ-KRWDZBQOSA-N 303.450 3.077 0 40 DGAB c1ccc(CCN2CCC3(CC2)C[C@@H](c2cncnc2)CO3)cc1 96073015 UPTCYPWIXGRCIM-GOSISDBHSA-N 323.440 3.058 0 40 DGAB Cc1cnc(CN(C)Cc2cccc(OC(F)(F)F)c2)cn1 96470253 DDDPBXKPKKXRSP-UHFFFAOYSA-N 311.307 3.316 0 40 DGAB CN(Cc1ccc(OC(F)F)cc1)Cc1nnsc1Cl 52916698 MZLAXKKEOIUBHU-UHFFFAOYSA-N 319.764 3.425 0 40 DGAB CCc1cc(N2CCC(Nc3ccncc3Cl)CC2)ncn1 267325580 AZKBNDQDJAZLOZ-UHFFFAOYSA-N 317.824 3.168 0 40 DGAB Cc1ccccc1[C@@H]([C@@H](C)Nc1cccc(C(=O)O)n1)N(C)C 263405764 KNLVEBBQDYHYKW-CXAGYDPISA-N 313.401 3.192 0 40 DGAB C[C@H](C(=O)N(C)[C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 95464435 RNCCZOPFKOEUOA-VHSXEESVSA-N 311.838 3.458 0 40 DGAB Cc1nc(CNC(=O)Cc2c[nH]c3ccc(Cl)cc23)oc1C 76018812 VHLASZRQIFMZNX-UHFFFAOYSA-N 317.776 3.285 0 40 DGAB Cc1cc(C)cc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1 12939544 MZWIJMCXNBDCFZ-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1C 13320349 MJSKIYANFCWTMW-KBMXLJTQSA-N 301.386 3.148 0 40 DGAB CCOc1ccc(OS(=O)(=O)c2ccc(C)cc2C)cc1 16094370 BDZVWCXOVZIMNQ-UHFFFAOYSA-N 306.383 3.470 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1Cl 169684043 UAVBADNMGQAKFD-DTHCGKTHSA-N 313.784 3.206 0 40 DGAB N=c1ccnc(CN2CC3(CCCCC3)[C@H]2c2ccccc2)[nH]1 579203782 BZYAAZJGRBRXSE-GOSISDBHSA-N 308.429 3.397 0 40 DGAB C[C@H](Cc1nc(-c2ccnn2C)cs1)n1cc(Cl)cn1 585090652 IYBNOYAVMPCISR-SECBINFHSA-N 307.810 3.197 0 40 DGAB Cc1sc(NC2CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 6975362 XDRZTYKEYASTOE-UHFFFAOYSA-N 323.443 3.064 0 40 DGAB Cc1cc(C)nc(C(=O)Nc2ccc(OC(F)(F)F)cc2)n1 1888881847 OHHPCJRLRVSAII-UHFFFAOYSA-N 311.263 3.244 0 40 DGAB Cc1cccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)c1C 1888904104 PRXIJOXJDRAOQJ-UHFFFAOYSA-N 306.369 3.476 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(c2ncccn2)C1 1889149365 USCHLYSTRUQDDZ-UHFFFAOYSA-N 307.401 3.185 0 40 DGAB Cc1cc(OCC2CCN(Cc3c(C)noc3C)CC2)ccn1 1775995804 JQPAGJZTODBKDY-UHFFFAOYSA-N 315.417 3.286 0 40 DGAB CC(C)c1nccn1CC1CN(c2ncnc3ccsc23)C1 2087140428 CALLKEGKSDDISI-UHFFFAOYSA-N 313.430 3.148 0 40 DGAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccc(F)cc1 7425371 XPACDLAMGARRQR-UHFFFAOYSA-N 311.360 3.202 0 40 DGAB Cc1cc(NCC2(c3ccsc3)CCCC2)n2ncnc2n1 1775972055 AKBRIYHKFGKXSJ-UHFFFAOYSA-N 313.430 3.418 0 40 DGAB CCOc1ncccc1CNC(=O)c1sc(C(C)C)nc1C 40093941 QKAGDUGMSWBGQL-UHFFFAOYSA-N 319.430 3.299 0 40 DGAB CCc1nc2nccc(-c3ccc(Br)cc3)n2n1 67320712 RTWSZSDUIBGRRB-UHFFFAOYSA-N 303.163 3.116 0 40 DGAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1F 1093949 UQVPRKDTEWEKHO-LRDDRELGSA-N 309.356 3.386 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1C12CC4CC(CC(C4)C1)C2)C31CC1 4201220 RZPKBKIEUXFXQC-VUEQUFGUSA-N 323.436 3.152 0 40 DGAB COc1ccccc1OCC(=O)NCCCc1ccc(C)cc1 10110383 AFWRQQJCBUGDMD-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1cc(OC)cc(C(=O)NCC2(c3ccccc3)CC2)c1 11750015 YVIFHFZZXYLTJC-UHFFFAOYSA-N 311.381 3.165 0 40 DGAB COc1cc(OC)cc(C(=O)N2CCSc3ccccc32)c1 57337949 ROIKCFNVSFTKNC-UHFFFAOYSA-N 315.394 3.456 0 40 DGAB COc1c(Cl)cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc1Cl 32747451 PZFPMDHZXHBRMO-DTORHVGOSA-N 318.200 3.251 0 40 DGAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@H]1C[C@H]2CC[C@H]1C2 102203847 GPRRUXLFACUMBA-UKTARXLSSA-N 311.381 3.348 0 40 DGAB COC(=O)Nc1ccc(NC(=O)c2cn3c(C)cccc3n2)cc1 46520987 UHBHHPQGNUOTLB-UHFFFAOYSA-N 324.340 3.073 0 40 DGAB Clc1cccc(CNCCc2nnc3ccccn23)c1Cl 21806266 YVIBUZAAMDTDFR-UHFFFAOYSA-N 321.211 3.368 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@H]1CCOC1 41373058 KJRXGZJDNDIMMY-LLVKDONJSA-N 320.389 3.024 0 40 DGAB Cc1c(C2CCN(C(=O)OC(C)(C)C)CC2)cc(=O)[nH]c1S 103016051 SBMSUCNRASDMKF-UHFFFAOYSA-N 324.446 3.087 0 40 DGAB Cc1c([C@@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)cnn1C 47007469 XYICGJPLOXBBCE-BXUZGUMPSA-N 318.446 3.398 0 40 DGAB COc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 22794658 UOKVAMYHHWWGJP-SCTDSRPQSA-N 312.457 3.025 0 40 DGAB CCNC(=O)CCc1nc(-c2ccc(-c3ccccc3)cc2)no1 113727664 BOBUQNNMMXCYKU-UHFFFAOYSA-N 321.380 3.472 0 40 DGAB O=C(Cn1cnc2cc(F)c(F)cc21)Nc1ccc(F)c(F)c1 24380394 HXJLVGGMIWTMLN-UHFFFAOYSA-N 323.249 3.231 0 40 DGAB O=C(N[C@@H](CO)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 1393017 TUYURIULRKRTJM-CYBMUJFWSA-N 324.207 3.327 0 40 DGAB CC(C)(C)CC(=O)NCC1(c2cccc(F)c2)CCOCC1 55450847 FAVJYIRXGXLHBI-UHFFFAOYSA-N 307.409 3.426 0 40 DGAB CCN(C(=O)c1ccncc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106630827 KOEHSYLEWCJSAR-VQIMIIECSA-N 323.440 3.379 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 107156868 AOLZZAJPQMCMCO-VDUILEQBSA-N 324.218 3.293 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)CCc2ccco2)c1 47742564 VFJANAGJAWECJK-CABCVRRESA-N 301.386 3.493 0 40 DGAB COC(=O)Nc1cccc(NC(=O)NCc2cccs2)c1 47710889 IJYUOGQHBNTSJT-UHFFFAOYSA-N 305.359 3.248 0 40 DGAB Cn1ncc2c(Nc3ccccc3)nc(NC3CCCC3)nc21 7448129 ZWGWBWLGZWYDNH-UHFFFAOYSA-N 308.389 3.461 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1ccc(Cl)s1 58392557 LAOQSNJBTXDGEK-SNVBAGLBSA-N 312.870 3.360 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC(n4ccnc4)CC3)[nH]c2c1 58327677 WHIOGRCWXLWAHO-UHFFFAOYSA-N 308.385 3.150 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@H](c1ccccc1)c1ccco1)CN2 58331367 PNFSYFXDZPHHJL-HNAYVOBHSA-N 322.412 3.205 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc(-n3ccnc3)cc2)c1 45096310 QFKWEBNKVQTKMY-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB CSCC[C@H](N)c1nnc(SCc2ccc(F)cc2)o1 2214068 PRLUFXXZSPKJAT-NSHDSACASA-N 313.423 3.254 0 40 DGAB CCSc1nnc(N2CCC(C)CC2)n1Cc1ccco1 58530691 GGRSRPDKRPDFIU-UHFFFAOYSA-N 306.435 3.268 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccc1O 12930682 FBTIMYKDVROZEY-UHFFFAOYSA-N 315.417 3.433 0 40 DGAB O=C(CSc1nc2ccccc2o1)NCc1ccc(F)cc1 3503780 NLHLCGKUNHCSOH-UHFFFAOYSA-N 316.357 3.375 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2C)c(C)c1 13390916 WOCARLVGJGMHLH-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)c(OC)c1 4084936 AFZIHZNCRBQCOP-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic CC(=O)c1cccc(N/C=C2/N=C(c3ccccc3)OC2=O)c1 13614717 YCSQPKVYHMZXGV-LFIBNONCSA-N 306.321 3.146 0 40 DGAB Cc1ccccc1CNC(=O)COC(=O)c1cccc(Cl)c1 7891800 LIXFRJWUQBYMKZ-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB CCN1C(=O)S/C(=C/c2cc(Cl)cc(OC)c2O)C1=O 4472313 ONPIRTIYJWCIEZ-BJMVGYQFSA-N 313.762 3.110 0 40 DGAB NC(=O)[C@H](Sc1nc2ccccc2o1)c1ccc(F)cc1 14071713 YVAIDZHXPXXQFG-CYBMUJFWSA-N 302.330 3.286 0 40 DGAB C[C@@H](OC(=O)CC1CCCC1)c1nc2ccccc2c(=O)[nH]1 5355780 WGIDUXUKYCMQGU-LLVKDONJSA-N 300.358 3.108 0 40 DGAB CCOc1ccccc1NC(=O)CSc1nnc(C(C)C)o1 6596116 VZBDGQHFPKRIMA-UHFFFAOYSA-N 321.402 3.323 0 40 DGAB Cc1ccc(NC(=O)N2CCN(C3CCCCC3)CC2)cc1 8215450 LRDAXYHMMJEOKS-UHFFFAOYSA-N 301.434 3.477 0 40 DGAB CCc1n[nH]c(SCc2nnc(-c3cccc(Cl)c3)o2)n1 70037812 VQFKVGLOPGVLET-UHFFFAOYSA-N 321.793 3.363 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2ncc(C(C)(C)C)o2)n1 70039948 NRBNQILDUVDRLQ-HNNXBMFYSA-N 316.449 3.450 0 40 DGAB CCNC(=O)c1ccc(Cl)cc1NC(=O)c1ccc(F)cc1 15372616 YCYDMVYKYYHIJN-UHFFFAOYSA-N 320.751 3.481 0 40 DGAB COc1ccc(CNC(=O)N(C2CCCC2)C2CC2)cc1OC 69584072 YUYKEURJLPMRMJ-UHFFFAOYSA-N 318.417 3.320 0 40 DGAB O=[S@@](Cc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 69697576 RUJJQRJMDVOLIG-JOCHJYFZSA-N 314.385 3.460 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 69739761 YKKMBFJDBIQFAE-QLFBSQMISA-N 315.442 3.257 0 40 DGAB Cc1nc(C)n(C[C@H]2CCCN(Cc3cccc(F)c3F)C2)n1 69820208 CCBPOGUHAAUMKU-AWEZNQCLSA-N 320.387 3.085 0 40 DGAB Cc1ccc(CNC[C@H]2CCc3nnc(C(C)C)n3C2)s1 69818783 LIMBAWILDMYZFH-CYBMUJFWSA-N 304.463 3.124 0 40 DGAB O=C(NCCn1ccnc1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89768497 FARGBIAXWQIFOO-CHWSQXEVSA-N 324.211 3.110 0 40 DGAB CCCN1CCN(c2ccccc2CNCc2ccco2)CC1 89959113 KAYXQMHULLDRDU-UHFFFAOYSA-N 313.445 3.101 0 40 DGAB COc1nc(C(=O)N(C)[C@@H](C)c2ccncc2)cc2ccccc12 96134110 GBVSBSQFZNBNGQ-ZDUSSCGKSA-N 321.380 3.472 0 40 DGAB Fc1ccc(N2CCC(NCc3cn4ccccc4n3)CC2)cc1 72231646 FEPSEHLJNIUURY-UHFFFAOYSA-N 324.403 3.232 0 40 DGAB C[C@H](Cc1ccccc1Br)NCc1ccc(CO)o1 89904215 BULIHIRKYJVQPS-LLVKDONJSA-N 324.218 3.255 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N2CCC[C@H](O)C2)cc1 71803466 IRIWHQUSQVQMRH-JSGCOSHPSA-N 308.447 3.026 0 40 DGAB C[C@H](NC(=O)COC[C@@H]1CCCO1)c1csc2ccccc12 71879990 YPFBMPHGIIAWET-STQMWFEESA-N 319.426 3.274 0 40 DGAB CC(C)(C)c1ncc(CN2CCC(O)(C(F)(F)F)CC2)s1 97058657 BBWBEKQWEZYBOH-UHFFFAOYSA-N 322.396 3.330 0 40 DGAB Cn1cc(C2CCN(Cc3cccc4cccnc34)CC2)cn1 97203226 NIPAKLQZUUTFDX-UHFFFAOYSA-N 306.413 3.348 0 40 DGAB CC[C@H](NC1CCN(Cc2ccccn2)CC1)c1nccs1 95422819 RYDNYZFUJVMFPR-INIZCTEOSA-N 316.474 3.243 0 40 DGAB CC(C)[C@H](NCCOc1ccccc1F)C(=O)OC(C)(C)C 95415959 CMBPOYBWSUNEMP-HNNXBMFYSA-N 311.397 3.160 0 40 DGAB O=C(COc1cccnc1Cl)N(Cc1ccsc1)C1CC1 95400117 CJJIBGKQVRQRKB-UHFFFAOYSA-N 322.817 3.367 0 40 DGAB O=C(Nc1nncs1)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 73516244 DBGKAIHISPVGLJ-IUCAKERBSA-N 313.304 3.299 0 40 DGAB COc1ccc(CS[C@@H](C)C(=O)Nc2cc(C)no2)cc1F 78555554 AEQVQTFGVALEAN-JTQLQIEISA-N 324.377 3.391 0 40 DGAB CCNCc1ccccc1NC(=O)c1ccc(-c2ncon2)cc1 95971521 FCGSFRWEAHPNFT-UHFFFAOYSA-N 322.368 3.098 0 40 DGAB CCc1ccc(CCC(=O)N(C)[C@@H](C)C2CCN(C)CC2)cc1 95979432 FEKHGBHVVSTXHX-INIZCTEOSA-N 316.489 3.370 0 40 DGAB Cc1nc(C)c(CN2C[C@H](C)C(=O)Nc3ccccc32)s1 78954053 URCCBMZMXWSKOP-JTQLQIEISA-N 301.415 3.355 0 40 DGAB Cc1cscc1C(=O)Nc1ccc(C)c(S(C)(=O)=O)c1 89201983 FMZXUMZPINOPKT-UHFFFAOYSA-N 309.412 3.021 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)N(C)Cc1nccs1 74858512 JVKQDARCHXXUQQ-ZDUSSCGKSA-N 319.430 3.060 0 40 DGAB CC(=O)c1cnc(NC(=O)c2cc(F)cc(Cl)c2O)s1 89368553 JLJOZKQSDZGFNR-UHFFFAOYSA-N 314.725 3.096 0 40 DGAB CS[C@@H]1c2c(cc(=O)[nH]c2-c2ccccc2Cl)C(=O)N1C 62716513 GVOMTCWDFFAZKG-OAHLLOKOSA-N 320.801 3.143 0 40 DGAB Cc1occc1CN(C)C(=O)Nc1ccc(C(C)(C)C)nn1 89540701 GPSMQYUDCWIBCM-UHFFFAOYSA-N 302.378 3.339 0 40 DGAB COC(=O)c1cc(C(F)(F)F)n(Cc2cccc(Cl)c2)n1 408717886 ZPJXAJOQZBMVKG-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB CCCCC1C(C(=O)OCC)=C(C)NC(C)=C1C(=O)OCC 31597337 ZGAVXRFBMMMOJP-UHFFFAOYSA-N 309.406 3.070 0 40 DGAB COc1ccc(-c2nnc3n2N[C@H](c2ccccc2)S3)cc1 3843142 AOJQVZPYOSQJAE-HNNXBMFYSA-N 310.382 3.302 0 40 DGAB biogenic CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(OC)cc2)C1=O 36635550 OGKDHIPSRTXIRI-MRXNPFEDSA-N 324.380 3.002 0 40 DGAB C[C@@H](c1ccccn1)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 72203886 FHGVPLURQHUYFF-KBPBESRZSA-N 305.422 3.132 0 40 DGAB CC(C)N(C(=O)[C@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 75198002 LIQOYYZWVUUFTJ-STQMWFEESA-N 310.438 3.079 0 40 DGAB Cc1c(Br)c(C(=O)O)c(C)n1CC(F)(F)F 78405627 BCOXJPQUTJHFIS-UHFFFAOYSA-N 300.074 3.128 0 40 DGAB CC(C)NC(=S)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 223875103 AEFDCYSEBQRYDI-CHWSQXEVSA-N 306.479 3.259 0 40 DGAB COc1ccc2c(ccn2CCNC(=O)C2CCCCC2)c1 40819779 MVFSYHSRFLRKJH-UHFFFAOYSA-N 300.402 3.346 0 40 DGAB COc1ncccc1CNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1 45076285 WFUFFRFMAFABCL-SWLSCSKDSA-N 314.385 3.056 0 40 DGAB CCOC(=O)c1cc(NC(=O)C(C)(C)OCC)ccc1OCC 225813829 VJLPIFZMHZBSKQ-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB Cc1cocc1C(=O)Nc1ccc(C(=O)NC(C)C)c(C)c1 528496721 FLTIJFYPWCOPDD-UHFFFAOYSA-N 300.358 3.287 0 40 DGAB COc1cc(-c2noc(-c3coc(C)c3)n2)cc(OC)c1OC 195571512 PZAMTUPVCUSISM-UHFFFAOYSA-N 316.313 3.331 0 40 DGAB O=C(N[C@@H](c1cccnc1)C1CCOCC1)c1ccsc1 225616808 DCEICLREKAVZCE-OAHLLOKOSA-N 302.399 3.041 0 40 DGAB C[C@H](NCc1ccnc(OCC(F)F)c1)c1cccc(O)c1 194942393 WPWUMDURRYZGAM-NSHDSACASA-N 308.328 3.282 0 40 DGAB CCN(Cc1ccccc1)c1ccc(S(=O)(=O)CC)c(N)c1 42783788 NIVWFDMTJBSKQT-UHFFFAOYSA-N 318.442 3.089 0 40 DGAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)cc2)S1 222579799 JWAHDGJZDNYHEF-RLCCDNCMSA-N 311.410 3.377 0 40 DGAB Cn1nccc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 96404717 ILAVZCXMBOUKGY-CHWSQXEVSA-N 324.211 3.147 0 40 DGAB FCCOc1cccc(NCc2c[nH]nc2-c2cccnc2)c1 96482931 UWXPQXMNBDTMEF-UHFFFAOYSA-N 312.348 3.432 0 40 DGAB O=C(c1ccc(F)cc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 238960350 YKBNWJRSPMWVCU-LJQANCHMSA-N 324.399 3.099 0 40 DGAB CC(=O)N1C[C@H](C)CN(C(=O)c2cccs2)c2ccccc21 96432627 GWHLLVXXNCBJPV-LBPRGKRZSA-N 314.410 3.398 0 40 DGAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1ccc(C(N)=O)cc1 616613158 ISCDDHRMPWWHBJ-CQSZACIVSA-N 304.390 3.248 0 40 DGAB CSCC[C@H](C)NC(=O)c1ccc([S@@](=O)C(C)C)cc1 96436845 NSFWUABZUHTTQA-FKIZINRSSA-N 313.488 3.074 0 40 DGAB Cc1cc2cncn2c([C@@H]2CCCCN2C(=O)c2ccccc2)n1 257319976 VUVFZNDYXWVHPU-KRWDZBQOSA-N 320.396 3.405 0 40 DGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@H]2CCCCN2)n1 257270201 MTDKAVQFMPELQA-OAHLLOKOSA-N 300.381 3.163 0 40 DGAB CC(C)(C)OC(=O)N1CCC(c2nc3ccc(N)cc3[nH]2)CC1 585139533 TWNXYYYWFQSZCH-UHFFFAOYSA-N 316.405 3.260 0 40 DGAB CN(C(=O)CCC(=O)OC(C)(C)C)[C@@H]1CCCc2cccnc21 252478543 APDHVMVHRDLGQX-CQSZACIVSA-N 318.417 3.039 0 40 DGAB O=C(COc1cc(Cl)ccc1Cl)NCC(F)(F)F 41099390 QFFATKZKMOKSKC-UHFFFAOYSA-N 302.079 3.051 0 40 DGAB CC1(C)CCc2ccccc2[C@H](NC(=O)NCc2cccnn2)C1 252482815 DOIRZACOVCUUNE-QGZVFWFLSA-N 324.428 3.380 0 40 DGAB Cc1cc(-c2ncn([C@H]3CCCCO3)n2)ncc1Br 642882458 BNVPICXADASGON-GFCCVEGCSA-N 323.194 3.110 0 40 DGAB CC[C@@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)CCO1 65591785 XWGWCLJGSFWMES-CYBMUJFWSA-N 320.389 3.200 0 40 DGAB CCc1nn(C)cc1NC(=O)c1ccc(-c2ccco2)nc1C 91156962 MQODADLHDYLIFR-UHFFFAOYSA-N 310.357 3.198 0 40 DGAB COC(=O)[C@@]1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O 5537844 ZRLPEMCRPOVDCG-FQEVSTJZSA-N 308.377 3.444 0 40 DGAB CC(C)[C@H](Sc1ccc2ccccc2c1)C(=O)NC(N)=O 5776022 OVCMBWCCEDFRNT-AWEZNQCLSA-N 302.399 3.151 0 40 DGAB COc1cc(CNC[C@@H](C)O)ccc1OCc1cccc(C)c1 16349292 OHDUVFKSTDLHBU-OAHLLOKOSA-N 315.413 3.053 0 40 DGAB O=C(c1cccc(Br)c1)N1CCO[C@H]2CCCC[C@@H]21 37653073 QMKYZUVOFGJVTG-KBPBESRZSA-N 324.218 3.233 0 40 DGAB CC(=O)N1CCC(c2cccc(Nc3ncc(C)s3)n2)CC1 2037834716 HINZZERANCOLSX-UHFFFAOYSA-N 316.430 3.316 0 40 DGAB O=C(NCc1nccnc1-c1ccsc1)c1ccsc1 575620426 UDYMBIPRFKJKCU-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB COc1ccc(/C=C\C(=O)N2CCc3ccccc32)cc1OC 6009235 QJUGIDFJJONJNZ-NTMALXAHSA-N 309.365 3.306 0 40 DGAB CSCCC(=O)NCc1ccnc(Oc2ccccc2)c1 40107791 SSVFTYRJXOMRBN-UHFFFAOYSA-N 302.399 3.243 0 40 DGAB Cc1nc2ccc(NC(=O)N3C[C@H](C)OC(C)(C)C3)cc2o1 68483115 ZGWMXRVSZUKRNA-JTQLQIEISA-N 303.362 3.167 0 40 DGAB CCSc1nnc([C@H]2CCC(=O)N2Cc2ccccc2)o1 1610166 TZKXOEXSJMFVLA-GFCCVEGCSA-N 303.387 3.045 0 40 DGAB O=C(CSc1nc(-c2ccccc2)ns1)NC1CCCC1 4167283 JYHKMZDBZWBNSR-UHFFFAOYSA-N 319.455 3.356 0 40 DGAB O=C1CCc2cc(NC(=O)c3ccc(F)cc3F)ccc2N1 31988984 GBDCVNOGOBZCFU-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB COCCNCC(=O)N1c2ccccc2Sc2ccccc21 4861356 FEYWEWJXAKTNJQ-UHFFFAOYSA-N 314.410 3.052 0 40 DGAB CC[C@@H](C)NCc1cc(Br)c(OC)c(OC)c1 8325874 GPFTWELMAUCNTD-SECBINFHSA-N 302.212 3.354 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N1CC[C@H]2CCCC[C@H]2C1 7985346 WAXBPJICBKWXDE-CVEARBPZSA-N 315.413 3.039 0 40 DGAB C[C@H](NC(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1 21870661 RWNNQESCSSRLLL-HNNXBMFYSA-N 322.408 3.233 0 40 DGAB O=C(CNc1ccccc1Cl)NCCc1ccc(F)cc1 21884994 HJHRXHUJBDPWRO-UHFFFAOYSA-N 306.768 3.250 0 40 DGAB CC(=O)NC(=S)Nc1nc(-c2ccc(Cl)cc2)cs1 21596499 GZJDXJQRBIPBMV-UHFFFAOYSA-N 311.819 3.296 0 40 DGAB CC(C)[C@@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)O 33456173 ZRYCUODJUIAJCI-CYBMUJFWSA-N 315.822 3.048 0 40 DGAB CC[C@H](C(=O)NCCCN1CCC(C)CC1)c1ccccc1 41906586 FBINEXCYJKGUCB-SFHVURJKSA-N 302.462 3.418 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C2CCCC2)CC1 42061408 UZLSKHPQDZCLTK-UHFFFAOYSA-N 301.386 3.004 0 40 DGAB C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@H]1C2 104560924 HOXQYWDWZORVRA-OWTLIXCDSA-N 302.374 3.362 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCc3sccc3C2)c1C 54670424 KXKHLHVQIHAYLX-UHFFFAOYSA-N 316.426 3.137 0 40 DGAB Cc1ccoc1C(=O)NC[C@H](O)c1cc2ccccc2s1 89701958 VHBGBFBEFXZVCW-LBPRGKRZSA-N 301.367 3.266 0 40 DGAB CC(C)(O)[C@H]1CCCN1c1ncnc2sc3c(c12)CCCC3 89761634 JSJAPZZPTWRADD-CYBMUJFWSA-N 317.458 3.310 0 40 DGAB O=C1NN=C(c2ccccc2F)C[C@@H]1c1ccc(Cl)cc1 1397843 MNDSKOJTWZZCRE-CYBMUJFWSA-N 302.736 3.487 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)c2ccccc2n1 24985692 STDAANZVADQSDI-KRWDZBQOSA-N 320.396 3.084 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)[C@H]1CCCN1C1CCCC1 89827699 GMGFLZUEHDPSIJ-GOSISDBHSA-N 312.457 3.241 0 40 DGAB COc1ccc(N2C(=O)CS[C@@H](c3ccccc3)C2=O)cc1 1402928 UXXFTDDUWJSKEZ-INIZCTEOSA-N 313.378 3.043 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@H](C)O1 3189501 WYLWBOHMUGWEDR-GJZGRUSLSA-N 323.392 3.167 0 40 DGAB CCNCc1cccc(NC(=O)c2cnc(C)nc2C(C)C)c1 178431018 JVUYARGSZKFEKH-UHFFFAOYSA-N 312.417 3.270 0 40 DGAB O=C(CCn1cncn1)N1CCC[C@@H]1c1cccc2ccccc12 56363203 KJQRIOHOLPDTEO-GOSISDBHSA-N 320.396 3.185 0 40 DGAB CCOc1ccc(CC(=O)Nc2nc3c(s2)CCC3)cc1 25767382 KAPUJRPTFBOZIY-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB O=C(COc1ccccc1F)N1CCC[C@@H](c2nccs2)C1 171647480 HULHTASGQIJYEH-GFCCVEGCSA-N 320.389 3.067 0 40 DGAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccccn1 57544856 MRLPNMLWOLQESH-UHFFFAOYSA-N 324.384 3.060 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl 1993670 GTUKULVIENCIKF-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cn1nccc1C1CCN(Cc2ncc(C(C)(C)C)o2)CC1 58292623 WCWZMMOAJHUPTJ-UHFFFAOYSA-N 302.422 3.085 0 40 DGAB COc1ccc(-c2nnc(Cn3ccc(C(F)(F)F)n3)o2)cc1 58367187 GJYGAAIHFKFKBN-UHFFFAOYSA-N 324.262 3.009 0 40 DGAB C[C@@H](C(=O)Nc1cc(F)ccc1F)N1CCc2sccc2C1 10767618 PYGJLUODEWIMBX-JTQLQIEISA-N 322.380 3.412 0 40 DGAB Cc1ccc(CNC(=O)CCc2nc(-c3ccccc3)no2)cc1 8190390 MGCKUQAILWIBHM-UHFFFAOYSA-N 321.380 3.294 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1F 12988815 SJKWMSSVIZTLNA-ZDUSSCGKSA-N 324.359 3.206 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)c1 70010831 YOEOUHUQWGAWQE-GDBMZVCRSA-N 315.417 3.196 0 40 DGAB CCOc1cccc(CN[C@@H](C)[C@H](C)n2cccn2)c1OC 69368522 VBFGZUZHPRQBSI-KBPBESRZSA-N 303.406 3.030 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C(=O)O 13349180 DIYURQOROAGVTE-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB O=C(NCc1ccsc1)C1(c2ccccc2)CCOCC1 13698173 UMQOIGSDXDECAA-UHFFFAOYSA-N 301.411 3.113 0 40 DGAB Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1ccncc1 65417500 LNJRBWBIFKOBFR-INIZCTEOSA-N 318.380 3.109 0 40 DGAB COc1ccc2c(CC(=O)N[C@@H](C)c3ccncc3)coc2c1 14095497 XIIHZGHICKDDJZ-LBPRGKRZSA-N 310.353 3.256 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCCc2ccccc21 65543053 DQWKSOSNLXYPHB-PXAZEXFGSA-N 311.429 3.334 0 40 DGAB CCN(Cc1cccc2c1OCCO2)C(=O)[C@H]1CC=CCC1 65501274 UAVOHIFTRBTXCI-AWEZNQCLSA-N 301.386 3.163 0 40 DGAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccco1 14197355 RCMHOMCIXMECPF-JTQLQIEISA-N 308.175 3.462 0 40 DGAB C[C@@H](c1ccccc1)[C@@H](CO)NC(=O)Nc1ccc(F)cc1F 69669762 ZZTCUGJQPHOOBO-MEDUHNTESA-N 320.339 3.251 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 4731704 GFSQQSOQLNSOFQ-GOEBONIOSA-N 320.392 3.017 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1C 8777258 JQUHFNKUWNSYQA-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB Cc1ccc(C)c(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 15860721 SOWBRIAGCYZNTG-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB CC[n+]1c(C)n(Cc2ccccc2)c2ccc(C(=O)OC)cc21 15961396 ANRVUTWPNZDQFC-UHFFFAOYSA-N 309.389 3.092 0 40 DGAB CCc1ccccc1NC(=O)CN(C)C(=O)Nc1ccccc1 9077042 DGHSAJLYLDBRAY-UHFFFAOYSA-N 311.385 3.351 0 40 DGAB CN(C)c1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 9613723 SQIKMMOJTPFKAM-UHFFFAOYSA-N 307.397 3.206 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)CCCc2cccs2)cn1 71797029 VZPAADGVVLTNBX-HNNXBMFYSA-N 303.431 3.168 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)n1 71865482 IUUVNJNCGLIWDL-CQSZACIVSA-N 320.824 3.176 0 40 DGAB COc1ccccc1O[C@@H](C)CNC(=O)NCc1cccs1 76066457 XGSDJZVHTNZCKA-LBPRGKRZSA-N 320.414 3.023 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCC1=Cc2ccccc2OC1 72298476 VCTMKFUDNBOUGR-QGZVFWFLSA-N 309.413 3.346 0 40 DGAB CCOC(=O)Cc1ccccc1NC(=O)NCc1cccs1 72283396 NXODHOTWGXVTHV-UHFFFAOYSA-N 318.398 3.175 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)Cc1cnc(C2CC2)s1 97032564 UYAVFRDZUQQOQA-UHFFFAOYSA-N 302.399 3.381 0 40 DGAB CCCNC(=O)C1(NCc2cc(F)cc(F)c2)CCCCC1 97143567 LHJXOWBTIZGDFX-UHFFFAOYSA-N 310.388 3.284 0 40 DGAB COc1ccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)cc1 72328921 ROTSMHVZHZKTSN-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB c1cn2c(n1)CN(Cc1csc(-c3ccsc3)n1)CC2 97201404 MGBGNJFVFSWPOG-UHFFFAOYSA-N 302.428 3.084 0 40 DGAB O=C(CCCNc1ncccn1)N1CCC(c2ccccc2)CC1 78816346 ZUUQTNKVRMHVPK-UHFFFAOYSA-N 324.428 3.075 0 40 DGAB O=C(NCc1ccsc1)c1nnn(-c2ccccc2)c1C1CC1 84569473 LCCLXGRFEWEHBP-UHFFFAOYSA-N 324.409 3.136 0 40 DGAB O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@@H](O)c1ccccc1 95448029 SPVWXSBZADFSJC-ZDUSSCGKSA-N 311.259 3.083 0 40 DGAB Cc1ccc(O)c(CN2CCC([C@H](O)c3ccccc3)CC2)n1 95982415 OBQQZIXVGAMXNM-LJQANCHMSA-N 312.413 3.041 0 40 DGAB c1cncc(-c2cnc3n2C[C@@H]2CN(Cc4ccsc4)C[C@H]32)c1 306127465 FZCZJOXRMGOYII-HOTGVXAUSA-N 322.437 3.236 0 40 DGAB CC(C)[C@H](C)Nc1cnn(Cc2ccccc2)c(=O)c1Cl 68836997 FSNUCGVFKAIYBR-LBPRGKRZSA-N 305.809 3.401 0 40 DGAB CCc1ccc(-n2cc(C(=O)NCCC3=CCCCC3)nn2)cc1 67262057 RUOIVXRUFVDALI-UHFFFAOYSA-N 324.428 3.450 0 40 DGAB COc1ccc(SCC(=O)NC2CCCCC2)cc1OC 30851606 DJOVOLPAWXAYLJ-UHFFFAOYSA-N 309.431 3.245 0 40 DGAB O=C(NCc1cccc(C(F)(F)F)c1)c1cnc2ccccn12 1538874255 AMOJQHFGUCSJDQ-UHFFFAOYSA-N 319.286 3.283 0 40 DGAB Cc1ccccc1Cc1nnc2sc(-c3cccc(N)c3)nn12 216756471 QAZBWOQUCLEIDD-UHFFFAOYSA-N 321.409 3.334 0 40 DGAB CNc1cccc([C@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72368672 UOPXINDZDPJYJL-INIZCTEOSA-N 309.413 3.072 0 40 DGAB CC(C)c1cc2n[nH]c(=O)n2c(-c2ccc(C(F)(F)F)cc2)n1 72227025 IEJIPGNLDMLKAX-UHFFFAOYSA-N 322.290 3.227 0 40 DGAB COC(=O)[C@H]1CC=CC[C@@]1(C)C(=O)N[C@@H](C)c1ccccc1 45028017 VUAGMQXTURFJLM-JCKWVBRZSA-N 301.386 3.009 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)CCc1ccc(C(=O)O)cc1 225458339 JMZKASWTEDNKEZ-LBPRGKRZSA-N 317.410 3.126 0 40 DGAB Cc1ccnc(NC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 40434824 RIMSKQAOZWMYGG-AWEZNQCLSA-N 305.422 3.449 0 40 DGAB COc1ccc(NC(=S)N[C@H](C)CCc2ccccc2)cn1 225516619 DPZUPBXEFQCBBN-CYBMUJFWSA-N 315.442 3.398 0 40 DGAB Cc1ccnc(NC(=O)[C@@H](C)N2C(=O)CCCc3ccccc32)c1 227169038 IMRRGEYOIONOOY-CQSZACIVSA-N 323.396 3.087 0 40 DGAB CCOc1cc(-c2nc(-c3ccc(N)cc3)n[nH]2)ccc1OC 85385037 KSNJKYMAOPYDIJ-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB Cc1noc(C)c1Cc1nc([C@H]2CCO[C@@H]2C(C)(C)C)no1 190392149 CFBYZANKFJGEEL-FZMZJTMJSA-N 305.378 3.184 0 40 DGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C\c1ccccc1 82087096 PMCZQOFYTOBCHT-XMXAVACDSA-N 306.365 3.464 0 40 DGAB NC(=O)c1cccc(NC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1 577184767 XXPROXJOSZZBIU-SJORKVTESA-N 308.381 3.308 0 40 DGAB Cc1nnc(SCC[C@@H]2CCOC2=O)n1[C@@H]1CCC[C@H](C)C1 96485308 BEPQOCZPHIDQKG-FPMFFAJLSA-N 323.462 3.383 0 40 DGAB COc1c(F)cc(NC(=O)N[C@@H]2CCCC[C@@H]2OC)cc1F 96434206 DZRKJSSZPKENSQ-OLZOCXBDSA-N 314.332 3.053 0 40 DGAB CC1(C)C[C@@H](NCc2csc([C@@H]3CCCO3)n2)C(C)(C)O1 97103339 WTRHASNVJYVSTF-QWHCGFSZSA-N 310.463 3.430 0 40 DGAB Cc1cccc(OCCc2nnc(NC(=O)C(C)C)s2)c1 95116368 NRMAQACUTZSKGQ-UHFFFAOYSA-N 305.403 3.063 0 40 DGAB CN(Cc1cscn1)C(=O)[C@H]1SCCc2ccccc21 96430713 UZVJDESRDCYPRB-AWEZNQCLSA-N 304.440 3.132 0 40 DGAB COCc1cnc2n1CCN(Cc1ccc(Cl)c(F)c1)[C@@H]2C 96109566 AMGFEFBJMGDGRY-LLVKDONJSA-N 323.799 3.399 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1ccc(F)c(Cl)c1 97033149 OFJZIGIXVAIKIF-MRVPVSSYSA-N 324.787 3.108 0 40 DGAB CO[C@@H](CNC(=O)Cc1cccc(C)c1)c1ccc(C)s1 96104668 RLWQVXXOFIJWGS-HNNXBMFYSA-N 303.427 3.411 0 40 DGAB CO[C@H]1CCCOC12CCN(CCCc1ccccc1)CC2 257295743 QZQYGIZEFVKNCF-SFHVURJKSA-N 303.446 3.279 0 40 DGAB Cc1coc(C(=O)NCc2cccc(-c3cnn(C)c3)c2)c1C 585082023 QXARNEGVPJUFST-UHFFFAOYSA-N 309.369 3.227 0 40 DGAB C=CC(=O)N[C@@H](C(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 585124852 VVVSAHPYHKXFAE-UONOGXRCSA-N 301.308 3.066 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)c1cc(Cl)cc(F)c1N 390833771 MSPVCMIBWCPUQV-UHFFFAOYSA-N 320.751 3.273 0 40 DGAB CCCCc1ncc(CN2CCC[C@@H]2c2nc(C)cn2C)[nH]1 585181409 HAODUVKZQVJDDA-OAHLLOKOSA-N 301.438 3.131 0 40 DGAB Cc1ccc(C[C@H]2CCCN(C(=O)[C@H](C)n3ccnc3)C2)cc1 50767581 YLHDYOYXCVSYQE-FUHWJXTLSA-N 311.429 3.234 0 40 DGAB Cc1cccc(NC(=O)CCCSC(C)(C)C)c1C(N)=O 95436013 KWVGMXWZKMEGCS-UHFFFAOYSA-N 308.447 3.344 0 40 DGAB CCOc1ccc(S(=O)(=O)Cc2ncc(C(C)C)o2)cc1 79062982 IHXQVDOIVXAFSB-UHFFFAOYSA-N 309.387 3.171 0 40 DGAB C[C@H]1Cc2cc(CN(CCO)Cc3cccs3)ccc2O1 13997577 IOGZJUJPPLVYTQ-ZDUSSCGKSA-N 303.427 3.066 0 40 DGAB O=C(c1ccc(-n2ccnc2)cc1)N1CCc2ccccc2C1 24049513 DETLVBOXRDBWPH-UHFFFAOYSA-N 303.365 3.071 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@H]3CCCO3)s2)o1 27902886 PTQKRUWEHRSHLZ-CMPLNLGQSA-N 320.414 3.317 0 40 DGAB CCSc1cccc(C(=O)N2CC(=O)Nc3ccccc32)c1 21009826 DFFGCSAJZLCIRS-UHFFFAOYSA-N 312.394 3.398 0 40 DGAB Cc1cc(C)n(-c2ccc(SCc3csc(C)n3)nn2)n1 21562271 LHDQCHVSQRRNHB-UHFFFAOYSA-N 317.443 3.336 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)c2ccc(F)c(F)c2)c1 22479997 KQOOZNDEYQWXSB-UHFFFAOYSA-N 305.324 3.390 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4Cc5nonc5C[C@@]43C)[C@@H]1CC[C@@H]2O 299817284 QXSGBQLLOLAIIG-VWJMYWFESA-N 316.445 3.388 0 40 DGAB in-vitro Cc1nnc2n1-c1ccc(N)cc1C(c1ccccc1Cl)=NC2 39247021 XGLOOOYZAISIOP-UHFFFAOYSA-N 323.787 3.162 0 40 DGAB C[C@@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc2c(c1)CCC2 28044302 USHSYEOFUCCNLD-DYVFJYSZSA-N 307.459 3.375 0 40 DGAB CC(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)s1 40108256 OAUDDEDJQSCFFI-WCQYABFASA-N 309.431 3.276 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1ccc(O)c(Cl)c1 30650531 CPURDPBYJUDUJE-UHFFFAOYSA-N 315.760 3.194 0 40 DGAB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@@H](c2ccccc2)NC(=O)N1 36763 WMVIAMRXUDYHAP-IUODEOHRSA-N 316.401 3.292 0 40 DGAB COc1ccc([C@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)cc1 46814 SKEQREZONVCYKI-RDTXWAMCSA-N 314.337 3.047 0 40 DGAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(Br)o1 55438 IRUDPSJSHUFUIY-DHZHZOJOSA-N 318.126 3.387 0 40 DGAB O=C1NC(=O)/C(=C/c2ccc(-c3cccc(C(F)(F)F)c3)o2)N1 329205 VOCMXTZPAYRQDP-XFFZJAGNSA-N 322.242 3.146 0 40 DGAB CC(C)NC(=O)c1cc(Cl)ccc1NC(=O)c1ccco1 384379 RWHJOSIFKOCUSQ-UHFFFAOYSA-N 306.749 3.324 0 40 DGAB O=C(Oc1cc(=O)oc2ccccc12)c1cccnc1Cl 480092 JPKAQKQEQUIEHR-UHFFFAOYSA-N 301.685 3.061 0 40 DGAB c1ccc2c(c1)nc1nccc(-c3ccc(-n4cncn4)cc3)n12 1393511 SCAHDLYVRAPTER-UHFFFAOYSA-N 312.336 3.130 0 40 DGAB CCCC[C@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 1575112 OFULIMNERCHOMM-HIFRSBDPSA-N 310.850 3.462 0 40 DGAB CCCOC(=O)Nc1ccc(I)cc1 1800726 KRUPGPLRQSKOAN-UHFFFAOYSA-N 305.115 3.250 0 40 DGAB COc1ccccc1OCCC(=O)Nc1ccc(C)cc1O 3366473 BIDHZJUJBKYZLA-UHFFFAOYSA-N 301.342 3.117 0 40 DGAB Cc1ccc(Cc2cnc(N3C(=N)S[C@H](C)C3=O)s2)cc1 4384921 RSAOXLOEGBLZFW-SNVBAGLBSA-N 317.439 3.445 0 40 DGAB CCCCCOC(=O)c1cccc(NC(=O)CNCCCC)c1 4792047 YOCJQJNPJSTUSJ-UHFFFAOYSA-N 320.433 3.362 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN(C)Cc1ccc2ccccc2c1 8076197 NXLQEWFTJXJNAX-UHFFFAOYSA-N 322.412 3.250 0 40 DGAB COc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1Cl 8215120 KAIRKAYBIMPNMQ-UHFFFAOYSA-N 319.744 3.007 0 40 DGAB Cc1nc2ccccc2c(=O)n1CCOc1ccccc1Cl 8278943 PZPGEKIDCWAVEC-UHFFFAOYSA-N 314.772 3.437 0 40 DGAB Cc1ccc(Oc2nnnn2-c2ccccc2)c2c1[C@@H](C)CC2=O 8329230 WZVUFMFLAAAPLQ-LBPRGKRZSA-N 320.352 3.453 0 40 DGAB C[C@@H](NC(=O)CSc1nncs1)c1cc2ccccc2o1 8505407 IPEGUKISCGTVAI-SECBINFHSA-N 319.411 3.254 0 40 DGAB O=C(NCC1(c2ccccc2)CCC1)c1ccc2[nH]cnc2c1 8720220 ZHHRRGAKYUNMCC-UHFFFAOYSA-N 305.381 3.415 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1cc2ccccc2o1 9318994 YOGWJGYKPYUECF-JTQLQIEISA-N 306.325 3.195 0 40 DGAB CCOc1ccccc1-n1ccnc(NCc2ccccc2)c1=O 10273210 ZMBIDVLSKCSWMH-UHFFFAOYSA-N 321.380 3.243 0 40 DGAB COc1cc(OC)c2c(=O)c(-c3ccccc3OC)coc2c1 11865165 YOYXYUPUMLMWOR-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic,in-vitro Cc1ccnc(NC(=O)COCc2nc3ccccc3s2)c1 12555808 ZAICSBSLQFFFQP-UHFFFAOYSA-N 313.382 3.155 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cs2)cc1 12781487 GZZVPYFGJHYRBG-STQMWFEESA-N 316.426 3.368 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)s1 14016791 ZODWFZDZTSKQRV-RCKQQEMXSA-N 303.387 3.469 0 40 DGAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c1 16994360 NIMLFKFFHIODPF-IIDMSEBBSA-N 305.462 3.329 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccc(N2CCCCC2)nc1 20373905 RKTCQHBOXOWWFT-UHFFFAOYSA-N 313.376 3.392 0 40 DGAB FC(F)(F)c1cnc(N2CCc3n[nH]cc3C2)c(Cl)c1 20405570 DPDUBMKAGBSAKJ-UHFFFAOYSA-N 302.687 3.040 0 40 DGAB Cc1ccc(CNC(=O)[C@H](C)N2CCc3sccc3C2)cc1 22277745 VWBKJKPRZGVIMT-AWEZNQCLSA-N 314.454 3.120 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)cn2C)c1 23674481 CQQTWRSROCFTCD-UHFFFAOYSA-N 306.749 3.026 0 40 DGAB CC(C)OC(=O)c1ccc(NC(=O)CCc2cccnc2)cc1 23795522 RUMBWAYFLMPIDU-UHFFFAOYSA-N 312.369 3.218 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCCc3c2cnn3C)c2ccccc2n1 24985690 STDAANZVADQSDI-QGZVFWFLSA-N 320.396 3.084 0 40 DGAB O=C(COC(=O)c1c[nH]c2ccccc12)c1cc(F)ccc1F 25585666 FXHKSQXPNSPSEU-UHFFFAOYSA-N 315.275 3.486 0 40 DGAB CCc1ccc(C(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 28250277 QKUKZYPXQNAYSA-GFCCVEGCSA-N 303.387 3.204 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cccc(OC[C@@H]2CCCO2)c1 31263945 XKUKYUQGJVWQMF-HNNXBMFYSA-N 316.357 3.102 0 40 DGAB CC[C@@]12O[C@@H](COc3ccccc3)CN1CCN2c1ccccc1 31772291 XPLCIASJMGEOGX-WOJBJXKFSA-N 324.424 3.350 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cccc(Oc2cnccn2)c1 32029243 WSEOQOHKNBMCLJ-UHFFFAOYSA-N 310.313 3.126 0 40 DGAB O=C(NCC1CC1)c1nc(-c2ccccc2)n2c1CCCCC2 32826897 PKEOZAIENUVLHA-UHFFFAOYSA-N 309.413 3.416 0 40 DGAB Clc1ccccc1CNC1CCN(c2ccccn2)CC1 36932143 UVUBBMLVXRIDKT-UHFFFAOYSA-N 301.821 3.494 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1 40117199 YLRAMLZMHOBACY-UHFFFAOYSA-N 313.328 3.205 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)c1cccc(OC(C)C)c1 40534893 CCGMWWBDTFRZPK-NSHDSACASA-N 319.430 3.379 0 40 DGAB COc1cccc(CCNC(=O)CCc2c[nH]c3ccccc23)c1 44457344 CAERLOZIUQFGJT-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 44913438 XBQVCAXJRHPSEG-LSDHHAIUSA-N 314.433 3.024 0 40 DGAB CC(C)Oc1ccc(NC(=O)NCc2cccnc2)c(F)c1 52267979 VFMIUQRSKGYDGM-UHFFFAOYSA-N 303.337 3.330 0 40 DGAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3c(C)cc(C)cc32)cc1 58161660 RRBMGQBQAOKAOO-IBGZPJMESA-N 309.365 3.025 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)c1ccccc1OC(F)F 65563326 GGPBJRIIEPFXPU-UHFFFAOYSA-N 321.327 3.455 0 40 DGAB Cc1cc(C(=O)N(C)c2ccc(Br)cc2F)on1 65864200 LFRHZHUPZIGFED-UHFFFAOYSA-N 313.126 3.161 0 40 DGAB CC(=O)N(C)c1ccc(N[C@H](C)c2nc(C3CC3)no2)cc1 65975739 GRBUTCNNIJPUDF-SNVBAGLBSA-N 300.362 3.103 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)c2c(C)nn(C)c2C)cc1C 67678398 GVURFYHQASROAB-LLVKDONJSA-N 316.405 3.237 0 40 DGAB Cc1csc(CCCNC(=O)Nc2cc(F)ccc2F)n1 69813752 RJSDPEAQIYFNRH-UHFFFAOYSA-N 311.357 3.484 0 40 DGAB Cc1c(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cnn1C 69896093 ZKRPABZVNHUIIE-MRXNPFEDSA-N 301.365 3.139 0 40 DGAB Cc1cccc(C2(C(=O)N[C@H](C)Cn3nc(C)cc3C)CC2)c1 71822627 NVOJIBAIUNGEOH-OAHLLOKOSA-N 311.429 3.045 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCCC[C@@H]2Cn2cccn2)c(C)o1 71865427 GYCHFWZHIRAAQL-GDBMZVCRSA-N 315.417 3.278 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)C1 71888047 REPNDMSFEGQYRV-CYBMUJFWSA-N 320.414 3.434 0 40 DGAB Cc1cccc(CNC(=O)c2ccc(-c3ccc(=O)[nH]c3)s2)c1 72243451 KLZARWWRULNQGA-UHFFFAOYSA-N 324.405 3.342 0 40 DGAB COc1cc(C(=O)NCc2ccccc2F)nc2ccccc12 72329568 YETDIPJQVQURAN-UHFFFAOYSA-N 310.328 3.313 0 40 DGAB CO[C@@H](CNC(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 73043162 VTHIQIRPICWRCB-NHYWBVRUSA-N 317.389 3.039 0 40 DGAB O=C(NCC1(CCO)CCCC1)N[C@@H]1CCc2c(F)cccc21 78951975 JIVLMKAAMNPCPW-MRXNPFEDSA-N 320.408 3.055 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)CCc2csc(C)n2)cc1 79039893 XYJNNYXPMUCADW-ZDUSSCGKSA-N 318.442 3.276 0 40 DGAB COc1c(C)cnc(CN2CCN(C)c3ccccc3C2)c1C 84258063 KFGHZOVTTSFFHE-UHFFFAOYSA-N 311.429 3.159 0 40 DGAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)c1ccncc1 84569506 MTSHZHSJQDAKSH-UHFFFAOYSA-N 304.353 3.397 0 40 DGAB CC[C@@H](C)[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O 84721385 FIZHMUHFFHKYNE-MUWHJKNJSA-N 309.719 3.066 0 40 DGAB COc1ccc(C)c(NC(=O)Nc2cccc([S@](C)=O)c2)c1 89646772 SDHZPQXUKABCNS-JOCHJYFZSA-N 318.398 3.385 0 40 DGAB O=C(c1cccnc1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89763202 WUMQPUOBHADYSO-OAHLLOKOSA-N 302.761 3.029 0 40 DGAB CN1CC[C@H](NCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 95437468 ITZPNGUAWVCWPH-IRXDYDNUSA-N 319.811 3.409 0 40 DGAB OC1=Nc2ccc(Cl)cc2/C1=N/Nc1cc(Cl)ncn1 95455285 RKLQZYJTMKIDJU-UHFFFAOYSA-N 308.128 3.201 0 40 DGAB CCCC[C@@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC 95943549 WRDQIYSTYAHSNH-FZKQIMNGSA-N 314.429 3.347 0 40 DGAB COc1ccncc1NC(=O)c1cccc(Br)c1C 96430798 NHWFIDLHHZFSAV-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB COc1c(Cl)cccc1NCc1csc(NC(C)=O)n1 96446939 POXDQKYWSAXUBZ-UHFFFAOYSA-N 311.794 3.376 0 40 DGAB Cc1csc([C@@H](NC(=O)c2ccc(C(=O)O)cc2)C2CC2)n1 96479858 BIDIYXDTNANKGQ-ZDUSSCGKSA-N 316.382 3.031 0 40 DGAB c1cnc2c(CN3CCO[C@@H](c4nccs4)C3)cccc2c1 97199806 IZDHUZXENATWPP-OAHLLOKOSA-N 311.410 3.265 0 40 DGAB C1=C(c2ccc3c(c2)OCO3)Nc2ncnn2[C@H]1c1cccs1 101189523 YABFZHRDZGJSMA-GFCCVEGCSA-N 324.365 3.124 0 40 DGAB O=C1[C@H]2CCC[C@H]1CC(C(=O)N1CCc3sccc3C1)C2 102726405 KUQUJKGJKZIKNR-RYUDHWBXSA-N 303.427 3.028 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 103123011 TUNDSAYIPIRMJW-KHYOSLBOSA-N 324.428 3.212 0 40 DGAB C[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)c1cccc(Cl)c1 107065800 VUCHHHOHVMLBGM-JMDOCYRQSA-N 320.820 3.220 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H](c1ccccc1)C1CCC1 108105609 KAYRQOUGKRMBSZ-TWMKSMIVSA-N 300.402 3.147 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2C=CCCC2)o1 129838005 BVGRBPQNWHFNDJ-DZGCQCFKSA-N 304.390 3.381 0 40 DGAB Cc1cc(NC(=O)c2ccc3ccc(Cl)cc3n2)n(C)n1 176934965 DQCNWBPSFISQIE-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB O=S(=O)(CCSc1ccccc1O)c1ccc(F)cc1 192668256 AIXYGXJMFCKDIH-UHFFFAOYSA-N 312.387 3.097 0 40 DGAB CCc1nnc(CN[C@@H]2CCCC[C@H]2Oc2ccccc2C)o1 195570296 XQRCHZITFCECNO-GDBMZVCRSA-N 315.417 3.420 0 40 DGAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)cc2)S1 222579938 JWAHDGJZDNYHEF-LYRGGWFBSA-N 311.410 3.377 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1C 222996921 GOMJBVYONOEQHE-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC1CCCC1 223814058 RWWIVQJGZZATFV-HNNXBMFYSA-N 316.445 3.181 0 40 DGAB Cc1ccc(CS(=O)(=O)NC[C@H](C)c2ccccc2)cc1 224170405 HNRXALBVUCXCBO-HNNXBMFYSA-N 303.427 3.218 0 40 DGAB O=C(O)c1ccc(Cl)c(NC(=S)NCc2ccco2)c1 225155393 QZDBAGBCYYNCBQ-UHFFFAOYSA-N 310.762 3.118 0 40 DGAB FCCn1ncnc1CSc1nc2ccc(Cl)cc2o1 225636976 LDCBUTGZSMPCOD-UHFFFAOYSA-N 312.757 3.335 0 40 DGAB CCc1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225749475 PTXNZGGLZFHUFN-UHFFFAOYSA-N 324.355 3.342 0 40 DGAB COC(=O)c1ccc2c(c1)c(C=O)cn2C(=O)OC(C)(C)C 228944159 FFLMFXDHRHDHCC-UHFFFAOYSA-N 303.314 3.024 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccnc(-c3nccs3)c2)C1 257203586 AQTMVBBKWAAGOC-AWEZNQCLSA-N 301.415 3.006 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cc(Cl)no1 257277409 NXVMCQNBSNBXCR-LBPRGKRZSA-N 322.796 3.046 0 40 DGAB O=C(c1csc2ccccc12)N1CCn2c(nnc2C2CC2)C1 329415386 CYWAKEXTSHATRN-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB C[C@H](NC(=O)C1(CF)CCOCC1)c1ccc2ncsc2c1 332624264 VCJCQMHIXOAXJS-NSHDSACASA-N 322.405 3.240 0 40 DGAB C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1occc1C(=O)O 516872687 KZSIPTDWJANFBP-DGCLKSJQSA-N 303.333 3.495 0 40 DGAB Cc1cccc(Cl)c1CN1CC[C@@](C(=O)O)(C(F)(F)F)C1 576762320 XKFRFBSHKWZWPN-CYBMUJFWSA-N 321.726 3.487 0 40 DGAB CC(C)[C@@H](SCCn1cccn1)C(=O)N1CCCC[C@H]1C 585118494 QUJVUZMZEUUNNQ-HUUCEWRRSA-N 309.479 3.042 0 40 DGAB COc1cc(CN(C)Cc2cnc(C)o2)ccc1OC(F)F 585120802 LZJUOUCZSPKCOK-UHFFFAOYSA-N 312.316 3.225 0 40 DGAB C[C@@H]1CC(NC(=O)c2cc(C(F)(F)F)cnc2O)C[C@@H](C)C1 585121947 HBGXPNQJRHCHGY-IUCAKERBSA-N 316.323 3.361 0 40 DGAB Cc1csc([C@H](NC(=O)Nc2ccc(CO)cc2)C2CC2)n1 1526885513 MNRKDAHSKRYVER-CQSZACIVSA-N 317.414 3.217 0 40 DGAB Cc1cnc([C@@H]2CCCN2C(=O)c2c(C)oc3c2CCCC3)[nH]1 2037677102 REKSDLFOOBVXHN-AWEZNQCLSA-N 313.401 3.476 0 40 DGAB O=c1c2sc3ccccc3c2[nH]c(=S)n1C[C@H]1CCCO1 424656 GTFBDWRKSJDMCE-SECBINFHSA-N 318.423 3.453 0 40 DGAB CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2N)cc1 1680925 YQJCSBRJFXOYCX-UHFFFAOYSA-N 304.415 3.367 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2cccn2C)cc1 2648951 AWMVBRQHLFMVHD-CYBMUJFWSA-N 314.385 3.334 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Cl)c1 3385603 ZYYOQKJFVWSVIE-FZMZJTMJSA-N 309.793 3.192 0 40 DGAB CCCCn1nc(C(=O)Nc2ccccc2C(C)C)ccc1=O 3403186 VKPYSQPVTHSNIT-UHFFFAOYSA-N 313.401 3.419 0 40 DGAB Cc1cccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)c1 3544704 GWPXQDXAAQXIIB-AWEZNQCLSA-N 309.365 3.130 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1)c1ccccc1 5029905 CSBOPSYQDDROIM-SJCJKPOMSA-N 312.344 3.196 0 40 DGAB Cc1cc(C)c(C(=O)COC(=O)c2c(C)noc2C)cc1C 5194912 HZQNWSBMTUGDNC-UHFFFAOYSA-N 301.342 3.256 0 40 DGAB CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@@H]1C 5450986 JFBLNRREMKRUHA-LBPRGKRZSA-N 322.474 3.298 0 40 DGAB COc1ccc(NC(=O)COc2ccccc2C=O)cc1Cl 5653145 RMFDFNIBTGPQEX-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB CCOc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1 6340763 SKWLZFUDLGTAOW-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 7053739 OSHYWQDOODJFDL-UHFFFAOYSA-N 319.382 3.138 0 40 DGAB O=S(=O)(Nc1ccccc1Cl)c1c(F)cccc1F 7402040 NNSCTMVKPFFYJU-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB S=c1[nH]ncn1NCc1ccc(OCc2cccs2)cc1 7602600 ZBPHEMNKGGVXMS-UHFFFAOYSA-N 318.427 3.325 0 40 DGAB NC(=O)c1cc(-c2csc(-c3cccc(F)c3)n2)ccc1O 7846031 OBOFFYQRFMPJJU-UHFFFAOYSA-N 314.341 3.421 0 40 DGAB CN1C(=O)N/C(=C/c2ccc(-c3cccc(Cl)c3)o2)C1=O 8091618 CJFHPTSMXOLBLL-XYOKQWHBSA-N 302.717 3.123 0 40 DGAB CCc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1 8099639 PYPBGFQUZJUXQO-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccccc2)cc1 8868623 CGIBRWYRQZKOCB-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2ccc(C)cc2C)cs1 9051352 ICQNYKSFAKMIBS-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB COC1CCN(C(=O)Cc2coc3c(C)c(C)ccc23)CC1 9387131 SCZNCRGMNISEOX-UHFFFAOYSA-N 301.386 3.230 0 40 DGAB Cc1nc(SCC(N)=O)c2c(-c3cccs3)csc2n1 9806842 PHCRMTOKZTZEJR-UHFFFAOYSA-N 321.452 3.306 0 40 DGAB CC(C)[C@@H](NC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 10036172 HIIDNDCYLWNOIP-QGZVFWFLSA-N 318.417 3.397 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)O)[C@@H]1c1cc(Cl)cc(Cl)c1 12411968 NQDLNGBTEVMHRV-YPMHNXCESA-N 316.184 3.378 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(F)cc(F)c1 12647790 DSGSLTLXUWVWHT-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1ccc2ccccc2n1 13002604 YPIXLEGXKDUYCV-UHFFFAOYSA-N 306.321 3.274 0 40 DGAB COc1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1F 13112535 NMPIEMKSQYAZFD-NSHDSACASA-N 300.333 3.286 0 40 DGAB COc1cc(C=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@H]2C 13339981 YCQBSXRADODLES-DYZYQPBXSA-N 312.321 3.474 0 40 DGAB biogenic,in-vitro Cc1ccc(OCc2nc(C)c(C(=O)NC3CC3)s2)cc1 14121815 NKRXSWBUYDAPDC-UHFFFAOYSA-N 302.399 3.231 0 40 DGAB Cc1cnc(C(=O)N[C@@H](C)c2ccccc2Br)cn1 14425926 LHEJLVUQZYUIBL-JTQLQIEISA-N 320.190 3.039 0 40 DGAB O=C(O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1 14960274 LYNBNVBMAGDJRW-UHFFFAOYSA-N 322.324 3.368 0 40 DGAB CC[C@@H](CN1CCCCC1)n1cncc1-c1cn(C)nc1C 19719433 ICZGMUHDJGTPEE-HNNXBMFYSA-N 301.438 3.029 0 40 DGAB Cc1ccc(C)c(N2CCN(C[C@@H](O)c3ccccc3)CC2)c1 20218749 NNJNIYZMPZKFSB-HXUWFJFHSA-N 310.441 3.159 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2OC)cc1 20457767 ZNXAIDKODNZFJI-JLHYYAGUSA-N 311.381 3.376 0 40 DGAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@@H]1CCCO1 20550600 WTRAMAOHPJAVCL-ZANVPECISA-N 302.201 3.220 0 40 DGAB COc1cccc(CCC(=O)N[C@H]2CCCC[C@H]2C)c1OC 23293266 YRHURUXETVPOKU-HIFRSBDPSA-N 305.418 3.331 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)c1cccc(C)c1)N(C)C 23694107 XYFLGNDISNVPNS-QGZVFWFLSA-N 312.413 3.036 0 40 DGAB biogenic Cc1cccn2c(=O)cc(CN(Cc3ccccc3)C(C)C)nc12 25820558 DOJAGXLSBRFQNL-UHFFFAOYSA-N 321.424 3.414 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)NCc1ccc(Cl)s1 26168151 MZELHVUKEODDIA-UHFFFAOYSA-N 324.789 3.130 0 40 DGAB CCc1ccc(CCC(=O)Nc2ccc(-n3cccn3)nc2)cc1 29198060 AZEQJEIRKIZCKF-UHFFFAOYSA-N 320.396 3.401 0 40 DGAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)[C@H]1CCCN1 32232118 GTUSBGRJDHDZLL-QGZVFWFLSA-N 314.360 3.095 0 40 DGAB COc1ccc2cc([C@@H](C)C(=O)NC[C@@H]3CCCO3)ccc2c1 32716562 IWBRVNVVGSNMEX-ACJLOTCBSA-N 313.397 3.247 0 40 DGAB O=C(NCc1ccco1)c1cc(-c2cccc(Cl)c2)[nH]n1 32824858 PNJOVDDUIKOZHG-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB CCSc1nnc(SCc2cccc(C(N)=O)c2)s1 32827001 CJYSHAIQQRUUMV-UHFFFAOYSA-N 311.457 3.041 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CNCc2ccccc2)CC1 35633166 DRTNNOZETCFVNF-UHFFFAOYSA-N 304.434 3.423 0 40 DGAB OCc1ccc(-c2ccc(I)cc2)o1 37715693 SSWQLYXMDGXZSU-UHFFFAOYSA-N 300.095 3.044 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cc2ccccc2oc1=O 40017377 OIBUSEHXYJGNKJ-INIZCTEOSA-N 305.333 3.210 0 40 DGAB COc1cccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40286481 JDWLVSKIIGKIIQ-OAHLLOKOSA-N 320.352 3.400 0 40 DGAB O=C(CSc1nccn1C1CC1)N1CCC[C@@H]2CCCC[C@@H]21 42639468 PHOXKUGAPATIDJ-ZFWWWQNUSA-N 319.474 3.491 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 43953209 KBNJWDFQPOTSPV-WFASDCNBSA-N 324.446 3.180 0 40 DGAB FC(F)(F)c1ccc2c(N3CCNCC3)c(Cl)cnc2c1 44628728 UWHOCGLGAIQQEZ-UHFFFAOYSA-N 315.726 3.317 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)[nH]c3c2)o1 44755366 IKZJIJLDQVKDBT-YJNCBDGFSA-N 324.336 3.489 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1cccnc1 44896797 KDOLPEAKERMNDI-CYBMUJFWSA-N 321.380 3.465 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NCc1ccnc(N(C)C)c1 44969284 ZEOQMZVIDAFWDH-GFCCVEGCSA-N 318.446 3.112 0 40 DGAB CCc1cc(SCCO)cc(C)c1I 45889834 RNZYSXXLSXJPJM-UHFFFAOYSA-N 322.211 3.246 0 40 DGAB COc1ccc(OC)c([C@H](C)NCc2cccc3c2OCO3)c1 47698170 ZBKAPDNCKUVZNX-LBPRGKRZSA-N 315.369 3.283 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2c(F)cccc2F)CC1 49078632 PCUQRBYVSAEEST-UHFFFAOYSA-N 310.388 3.159 0 40 DGAB COc1ccc(NCC(=O)NCc2cccc(Cl)c2)cc1F 55861210 GNYNRAZQUMGHJY-UHFFFAOYSA-N 322.767 3.216 0 40 DGAB CCN(C(=O)c1ccc2c(c1)nnn2CC)c1cccc(C)c1 58154540 SJBHVPIJFPLGRG-UHFFFAOYSA-N 308.385 3.426 0 40 DGAB C[C@@H](OCC1CC1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 58265539 MYPAYUWAKUFVDV-QMTHXVAHSA-N 309.793 3.095 0 40 DGAB O=C(O)C[C@H](CNC(=O)c1ccccc1)c1ccc(Cl)cc1 58847316 IKNISNCPHZWUNB-CQSZACIVSA-N 317.772 3.328 0 40 DGAB Cc1cccc(OCCCNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)c1 65538951 YCGWSMBUODOKPX-BBWFWOEESA-N 318.461 3.141 0 40 DGAB CC(C)c1nc2cc(N[C@H](C)C(=O)N3CCCC3)ccc2o1 65547548 YDFJGOPOJASLQC-GFCCVEGCSA-N 301.390 3.374 0 40 DGAB Cc1ccc(Nc2nn[nH]c2C(=O)NCc2ccccc2)cc1C 67283867 RNDYZJSYWCGPDU-UHFFFAOYSA-N 321.384 3.095 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(C)o2)c1 68786604 OIMYMQJVXJSTKM-OCCSQVGLSA-N 315.369 3.435 0 40 DGAB CC(C)c1nc(CCNC(=O)Cc2ccc(F)cc2)cs1 69528052 KWKCMYJIKFHFHI-UHFFFAOYSA-N 306.406 3.307 0 40 DGAB CC(C)OCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 71829226 YLCYOSQCNSXCDU-UHFFFAOYSA-N 316.376 3.348 0 40 DGAB C[C@@H](c1cccnc1)N1CCN(C(=O)CC2=CCCCC2)CC1 71908185 GUPBITJCUMPGHS-INIZCTEOSA-N 313.445 3.177 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@@H]2CCCOC2)c2ccccn2)cc1 71908750 RBLSBHOPVXBJDN-MJGOQNOKSA-N 324.424 3.217 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N=C(O)[C@H]2CCCCN21 71967912 JTWHUIWPKYVNNU-AEFFLSMTSA-N 324.428 3.371 0 40 DGAB COc1ccc(NC(=O)Nc2cccc([S@](C)=O)c2)cc1 72287661 MDKJJZRPODBWPV-OAQYLSRUSA-N 304.371 3.077 0 40 DGAB CC1CCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)CC1 72340760 VVKXLWVGKYSGNN-UHFFFAOYSA-N 323.400 3.373 0 40 DGAB Cn1cccc1[C@H]1CCCCCN1C(=O)CC1(O)CCCC1 72848707 XLRHCIPAERAWIX-MRXNPFEDSA-N 304.434 3.164 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 75542636 YQNWVWVDGAMRSP-IAGOWNOFSA-N 311.385 3.202 0 40 DGAB Cc1noc([C@@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 76046847 YUVZUCYLKNOULG-ZWNOBZJWSA-N 303.410 3.058 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2nc(C)no2)cc1 78948277 DZFNMQKKUPORQQ-JTQLQIEISA-N 313.313 3.259 0 40 DGAB COCCN(Cc1ccoc1)C(=O)CSc1ccc(F)cc1 85474316 FPZHYUROFUUZPU-UHFFFAOYSA-N 323.389 3.186 0 40 DGAB O=C(c1ccc2c(c1)COCO2)N1CC[C@@H](Cc2ccccc2)C1 89830327 ZZHYNHHYAIIHOO-INIZCTEOSA-N 323.392 3.258 0 40 DGAB C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)F)CCN1Cc1ccccc1 92354884 ULTWBMROEDROAQ-ZBFHGGJFSA-N 306.425 3.246 0 40 DGAB CCN(CC)c1ncc(CN2CCCC[C@H]2c2ncc[nH]2)s1 92728358 KSKZUECSRLLFSM-AWEZNQCLSA-N 319.478 3.440 0 40 DGAB O=C(NNc1ccccc1C(F)(F)F)c1cccc2c1OCO2 95360842 YYYZTUUHCAUEJA-UHFFFAOYSA-N 324.258 3.191 0 40 DGAB COc1cc(C(=O)c2ccc(F)cc2C)cc(OC)c1OC 95917009 CJTLRMGOBJOGGK-UHFFFAOYSA-N 304.317 3.391 0 40 DGAB Cc1ccc(NC(=O)c2cc(C)n(C(C)(C)C)n2)cc1C(=O)O 95970799 JWKNWNSSUIVQBP-UHFFFAOYSA-N 315.373 3.205 0 40 DGAB O=C1N(c2ccsc2)CC[C@@]12CCCN(Cc1ccco1)C2 96048735 ZUSCJDVHLLVCDD-QGZVFWFLSA-N 316.426 3.360 0 40 DGAB Cc1ccccc1NC(=O)NC[C@H](O)c1cn(C)c2ccccc12 96096558 MLKJBKADGMIGQP-SFHVURJKSA-N 323.396 3.342 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)/C=C/c2ccsc2)cc1 96103149 STBZTSYYRRBOCK-HYNJPGQWSA-N 319.451 3.333 0 40 DGAB CO[C@H]1CC2(CCN(C(=O)C(C)C)CC2)c2cc(F)ccc21 96241664 UFCCLJWRJSOCES-INIZCTEOSA-N 305.393 3.433 0 40 DGAB O=C(c1ccc(Cl)cc1F)N1CCC[C@H](c2ccn[nH]2)C1 96402863 HPBAUDKICVNLAY-JTQLQIEISA-N 307.756 3.222 0 40 DGAB Cc1cc(C(=O)Nc2cnccc2SCCCO)ccc1F 96413354 LOZCVTTVOPSNKW-UHFFFAOYSA-N 320.389 3.256 0 40 DGAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 96415131 VAASKRUGCVSWGT-WDEREUQCSA-N 319.380 3.422 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C1 96455148 SKYVATVIXRAFBJ-LJISPDSOSA-N 314.495 3.021 0 40 DGAB CCc1oc(C(=O)Nc2ccc([S@](C)=O)c(F)c2)cc1C 97032066 WVBCJQZCXUFKEO-OAQYLSRUSA-N 309.362 3.279 0 40 DGAB COc1ccc(C)c(NC(=O)N(C)C[C@H]2CCCC[C@H]2O)c1 97047314 NSNIJAGDSQBHFP-CZUORRHYSA-N 306.406 3.018 0 40 DGAB Cc1nc2ccccc2c(N2CCC(c3nncn3C)CC2)c1C 97085913 RNTQIRWLCTYXSR-UHFFFAOYSA-N 321.428 3.364 0 40 DGAB CCN(C(=O)c1ncc(Br)s1)C1CCCC1 97105651 JBMQYEMULUGXRX-UHFFFAOYSA-N 303.225 3.310 0 40 DGAB C[C@@H]1CC[C@@H](NCc2ccccc2CS(C)(=O)=O)[C@H](C)C1 97108790 YLUDAFQHMHTGRC-CKEIUWERSA-N 309.475 3.146 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1F 97114685 HKKZLMGUYQMPAW-SWLSCSKDSA-N 308.397 3.140 0 40 DGAB CN(C)C1CCN(C(=O)C23C[C@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1 103187338 UAJLHONAFISPEC-JDPPGYRCSA-N 324.896 3.117 0 40 DGAB CC(C)C(NC(=O)CCc1ccc2c(c1)OCCO2)C(C)C 113969534 BETJKAWKQXLFJH-UHFFFAOYSA-N 305.418 3.187 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCO[C@H](c3cccs3)C2)n1 157822034 WAILRKFUWJGGHR-NEPJUHHUSA-N 307.419 3.389 0 40 DGAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(OC)nc2)cc1 225467459 JVCHJFOAXMFXAF-LLVKDONJSA-N 317.414 3.146 0 40 DGAB Cc1cccc(C(C)(C)NC(=O)C2CCN(CC(F)F)CC2)c1 225559847 NBLJPZMGKPGUSH-UHFFFAOYSA-N 324.415 3.323 0 40 DGAB Cc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1C 225599713 VNQDJAKVXSVFBC-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB Cc1ccc(C)c(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)c1 225749253 INKAQHOJNOPNFU-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB CC(C)NC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227153708 CTMVILZPAAIZJV-UHFFFAOYSA-N 321.808 3.208 0 40 DGAB Cn1ccc2cc([C@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 245026680 NFWTZZHKNYISQT-LJQANCHMSA-N 320.392 3.041 0 40 DGAB COc1ccc(NC(=O)c2cccnc2-c2cncs2)cc1 257258812 KVQTYDCDOXIISM-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccncn1 257326359 WWYINUYRWSLCFF-SFHVURJKSA-N 307.397 3.333 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 409088565 KMFAYJKAFNPNGE-RBJBARPLSA-N 307.271 3.017 0 40 DGAB Cc1ccc(C)c(N2CCN(c3ncc(Cl)cn3)CC2)c1 481818347 UQHGFMLMQBBCJQ-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB O=C(c1cnc(O)c2ccccc12)N1CC2(CCC2)[C@@H]1C1CC1 558632346 QXQPAQNXONDTND-INIZCTEOSA-N 308.381 3.345 0 40 DGAB O=C(O)[C@@H]1CCCN1C[C@@H]1C[C@H]1c1ccc(Br)cc1 575424151 VVVQQYBZHHIMOZ-UBHSHLNASA-N 324.218 3.102 0 40 DGAB COc1ccc(Cn2cc(NC(=O)OC(C)(C)C)cn2)cc1 584904609 SIAPADWOIQDAFM-UHFFFAOYSA-N 303.362 3.287 0 40 DGAB CC1=Nc2ccccc2C12CCN(C(=O)c1cccn1C)CC2 585130674 YNCXTGLKFYMPNX-UHFFFAOYSA-N 307.397 3.305 0 40 DGAB COc1ccc(CCN(C)c2cc(C(F)(F)F)ncn2)cc1 1149129519 KQHLSPOGDMKDNT-UHFFFAOYSA-N 311.307 3.183 0 40 DGAB Cc1cc(C)n(-c2cc(NCCc3ccc(F)cc3)ncn2)n1 1888913882 IEIOODGUVZLZIS-UHFFFAOYSA-N 311.364 3.073 0 40 DGAB Clc1cc(Br)cc(Cl)c1[C@H]1COCCN1 1911925642 NQQSXQSTXLDUTL-SECBINFHSA-N 311.006 3.417 0 40 DGAB COc1ncccc1CNC(=O)/C=C/c1cc(C)c(C)cc1C 59008824 PZVRSYWDSFRNOF-BQYQJAHWSA-N 310.397 3.345 0 40 DGAB COC(=O)c1cc(Cl)ccc1NC[C@@H](N)c1ccccc1 1611141 ANXVXWZPNGQZLG-CQSZACIVSA-N 304.777 3.239 0 40 DGAB COc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1 31819497 RZTKICMTJOHSGS-INIZCTEOSA-N 319.364 3.355 0 40 DGAB C[C@]1(c2cccs2)NC(=S)N(c2ccc(Cl)cc2)N1 59453828 MJKUBNIDXVJJQL-ZDUSSCGKSA-N 309.847 3.474 0 40 DGAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccccc1O 32601960 OKJRHQYTYWBETI-UHFFFAOYSA-N 321.398 3.325 0 40 DGAB Cn1cc([C@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 487440 OMOHNWSTCNNPQH-OAHLLOKOSA-N 304.349 3.225 0 40 DGAB biogenic COc1cc(NC(=S)NCC(C)C)c(OC)cc1Cl 477720 PATIMZRUFVGBGC-UHFFFAOYSA-N 302.827 3.300 0 40 DGAB COc1ccc(OC[C@H]2[C@H]3CC[C@@H](C3)N2C(=O)C(C)C)cc1 100113908 IINRNKLFRNRMKT-ZQIUZPCESA-N 303.402 3.110 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1ccc(NC(=O)C2CC2)cc1 12217032 QZMRLUNWAJFMOI-UHFFFAOYSA-N 312.344 3.355 0 40 DGAB Cc1c([C@H](C)NC(=O)N2CCC[C@H]2c2cccs2)cnn1C 47007472 XYICGJPLOXBBCE-FZMZJTMJSA-N 318.446 3.398 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@H]2CCC[C@H]21 53381060 OCJGDSJYENLRJS-CABCVRRESA-N 312.369 3.044 0 40 DGAB O=C(O)[C@H](Cc1cccc(Cl)c1Cl)N1CCCCC1 57630383 BWQLVLBTIRSLEN-LBPRGKRZSA-N 302.201 3.475 0 40 DGAB C[C@H](NC(=O)/C=C\C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 104378381 BWKUFQKDNTWLMO-OQVYKUJFSA-N 322.408 3.297 0 40 DGAB COc1ccc(NC(=O)CCOc2cccc(C)c2C)cn1 24544615 MCIWKAFTMGHVDD-UHFFFAOYSA-N 300.358 3.115 0 40 DGAB CCc1nc(CC(=O)Nc2cnc(-c3ccccc3)nc2)cs1 55188180 KDPMQJAPQKBHBE-UHFFFAOYSA-N 324.409 3.344 0 40 DGAB C[C@H](NC(=O)c1ccc(N(C)C)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 106574393 YHVDOUHWGXTRGX-PWNZVWSESA-N 304.409 3.446 0 40 DGAB O=C(Nc1cccc(Cl)c1Cl)N1CCN2CCC[C@H]2C1 27932266 VAUQIZLZRUGCKA-JTQLQIEISA-N 314.216 3.305 0 40 DGAB O=C(NC[C@H](O)c1ccccc1)Nc1cccc2cccnc12 43529654 OVMCEVLUGSCCET-INIZCTEOSA-N 307.353 3.090 0 40 DGAB CCCn1cc(NC(=O)C2(c3ccccc3)CCC2)ccc1=O 56080042 QBVZJTNYGRRAGG-UHFFFAOYSA-N 310.397 3.319 0 40 DGAB CCc1cc2c(N[C@H](C)c3cnn(C)c3C)ncnc2s1 25570673 MRJWKRXJNNTRDO-SECBINFHSA-N 301.419 3.469 0 40 DGAB Cc1occc1CN(C)C(=O)/C=C/c1cnn(-c2ccccc2)c1 56252274 RKHMOLVOEKYURZ-CMDGGOBGSA-N 321.380 3.446 0 40 DGAB Brc1csc(CNCCOc2ccccn2)c1 35287305 VKBSFDMYRGDJGB-UHFFFAOYSA-N 313.220 3.074 0 40 DGAB C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CCOC1 89839109 ZAZKNXLTUNMXGZ-NXEZZACHSA-N 302.201 3.077 0 40 DGAB CCOc1ccc(CCC(=O)NCc2ccco2)cc1OCC 20104635 ZVGCVJDNCOSUPT-UHFFFAOYSA-N 317.385 3.326 0 40 DGAB COc1ccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OC 27216425 NRRSKDAOMHQJGK-HNNXBMFYSA-N 318.760 3.211 0 40 DGAB CN(C)c1ccc(NC(=O)NCc2ccc(Cl)s2)cn1 48091638 FULIDQDNACJLKO-UHFFFAOYSA-N 310.810 3.184 0 40 DGAB CCn1nccc1CN(C)C(=O)Nc1cc(Cl)ccc1OC 28219200 ULLPDWDUGQPXQS-UHFFFAOYSA-N 322.796 3.229 0 40 DGAB CC[C@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 44918922 NSPCNVRQHAWOKB-LBPRGKRZSA-N 319.430 3.379 0 40 DGAB COc1cccnc1NC(=O)[C@@H](C)Oc1ccccc1Cl 58323097 HRNSRMQTEGELQJ-SNVBAGLBSA-N 306.749 3.150 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2cc(Cl)ccn2)c(OC)c1 45242343 UEFDZVGQKMTHTQ-JTQLQIEISA-N 320.776 3.243 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccc(F)cc21)c1ccccc1 12846373 VZVKQTKLGLMFBS-CQSZACIVSA-N 323.414 3.341 0 40 DGAB O=C(O)c1ccc(-c2ccc(CNCc3cccnc3)o2)cc1 20875486 IKDUKKCHMQJFEE-UHFFFAOYSA-N 308.337 3.330 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)CC[C@H]2CCCO2)cc1 69416924 SHZAUMLHSINCEV-WMLDXEAASA-N 305.418 3.044 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C)cc1F 6064061 XCKDBTOYZNCVCI-UHFFFAOYSA-N 316.332 3.110 0 40 DGAB Cc1cccc(-c2cccc(CNC(=O)[C@@H](C)n3cncn3)c2)c1 69563946 UHCXHCPNLAQMQT-OAHLLOKOSA-N 320.396 3.131 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccc(C(F)(F)F)nc1O 14085957 LWMPELOWZLPVCO-UHFFFAOYSA-N 314.307 3.426 0 40 DGAB CC1CCC(N(C(=O)c2cccc(NC(N)=O)c2)C2CC2)CC1 65591125 OIXBIKPSSKFWPU-UHFFFAOYSA-N 315.417 3.361 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@H](C)O1 17326233 HFTWSDKGAWZSBD-RYUDHWBXSA-N 303.333 3.335 0 40 DGAB Clc1cccc(-c2nnn(C[C@@H]3CC3(Cl)Cl)n2)c1 23223922 MHQVRDVIURXYDD-QMMMGPOBSA-N 303.580 3.187 0 40 DGAB CN(CCOc1ccccc1)C(=O)c1cccc2cccnc12 14232271 FYEXVBABPOOBLF-UHFFFAOYSA-N 306.365 3.386 0 40 DGAB CCCCN1CCCC[C@H]1CNC(=O)Nc1c(C)noc1C 69699366 GBINCRTVKCZQMJ-AWEZNQCLSA-N 308.426 3.068 0 40 DGAB CN(C(=O)c1cccc(C(=O)OC(C)(C)C)c1)c1ccccn1 91855360 ONCAFZZTEKWHOX-UHFFFAOYSA-N 312.369 3.314 0 40 DGAB Cc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1 5730524 RRWMIDSPFXYJQD-UHFFFAOYSA-N 310.305 3.069 0 40 DGAB Fc1ccc(CN2CCC[C@H]2Cn2cccn2)c2ncccc12 69811421 MXCPZJBTHFGOSF-HNNXBMFYSA-N 310.376 3.235 0 40 DGAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCc2ccccc2C1 15627435 GNMHFLUIGXBGKO-QGZVFWFLSA-N 313.784 3.228 0 40 DGAB Cc1ccc2nc(NC(=O)[C@@H]3CSCCS3)sc2c1 75567878 CQZYWLGWLLQGAH-NSHDSACASA-N 310.469 3.392 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1ccccc1N1CCOCC1 9368822 REAPTTBQLASZBQ-AATRIKPKSA-N 314.410 3.237 0 40 DGAB CC(C)=CC(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 76092201 SRZAVVLNKOMEQL-UHFFFAOYSA-N 310.353 3.483 0 40 DGAB Cc1nc(C)c(C(=O)N(C)c2ccc(-c3ccccc3)nn2)o1 96472894 ODSCAVDDGQJGPR-UHFFFAOYSA-N 308.341 3.025 0 40 DGAB Cc1cc(C)c(NC(=S)N[C@@H]2CCN(C3CC3)C2)c(Cl)c1 84074963 OUTBZHGJUFWRCA-GFCCVEGCSA-N 323.893 3.480 0 40 DGAB O=C(CSC1=Nc2ccccc2CS1)NCC(F)(F)F 21627433 FTGBXWDAXKEZDX-UHFFFAOYSA-N 320.361 3.333 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2sc(=S)[nH]c2C)c1 9884547 CJCKJDHTDBISEF-UHFFFAOYSA-N 324.427 3.313 0 40 DGAB CN(Cc1cccc2ccccc12)c1cc(=O)n2ccccc2n1 96998781 KFHSVIBPZCQGQV-UHFFFAOYSA-N 315.376 3.484 0 40 DGAB O=C(C[C@@H]1CCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72285782 IGLKSTDAJCGTBD-JKSUJKDBSA-N 309.413 3.236 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72298964 OJMHFQHDSQAHCN-JTQLQIEISA-N 309.822 3.453 0 40 DGAB C[C@H](NC(=O)NCCc1ccnn1C)c1ccc2ccccc2c1 97140430 JKZBGNCOQNCZJK-AWEZNQCLSA-N 322.412 3.176 0 40 DGAB Nc1c(Cl)cc(NC(=O)[C@H]2CC23CCOCC3)cc1Cl 72312731 AXLVYDRATWWHJU-SECBINFHSA-N 315.200 3.331 0 40 DGAB CC[C@@H](Cc1ccc(C)cc1)NC(=O)c1c(C)cc(C)[nH]c1=O 72502664 ZKOWLEZVHZILJP-INIZCTEOSA-N 312.413 3.051 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1ccc(C)nc1C 72502086 ZZUWGYYHPVQUCK-CQSZACIVSA-N 312.413 3.410 0 40 DGAB COc1cccc(COC(=O)c2ncoc2C(C)C)c1OC 95394654 WFJGGKQWHNCKCY-UHFFFAOYSA-N 305.330 3.172 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)[C@@H](O)c3ccccc3)ccc21 95446375 CKDHBFKYKGYTSP-KRWDZBQOSA-N 321.380 3.123 0 40 DGAB COC(=O)N1CCC[C@@H](N[C@H](C)c2cnc3ccsc3c2)C1 95421614 BHRPXRDIWBMLQJ-DGCLKSJQSA-N 319.430 3.178 0 40 DGAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCOC1 88262923 SBDISEIDECPEAX-WMZOPIPTSA-N 313.372 3.458 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1O 408840386 YMFHUALUGZKFPC-NTEUORMPSA-N 309.321 3.054 0 40 DGAB Cc1ccnc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)c1 39954094 MYHQPKWHDLMZJJ-AWEZNQCLSA-N 306.406 3.416 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1C 78403856 GCSBXSGYRXVCJG-ZDUSSCGKSA-N 316.426 3.461 0 40 DGAB COc1cccc(-c2cc(-c3ccccc3OC)nc(N)n2)c1 71977876 GZBAYJMMCBEJIE-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB C[C@](O)(CNCc1sccc1Br)c1ccco1 185039051 UUZPHTMHHUGDBK-LBPRGKRZSA-N 316.220 3.101 0 40 DGAB O=c1nc(Nc2nccc(-c3ccccc3)n2)[nH]c2ccccc12 72467816 KXHJKDXRWDOXNG-UHFFFAOYSA-N 315.336 3.124 0 40 DGAB Cc1nn(C)c2ncc(NCc3ccc(N(C)C(C)C)nc3)cc12 225622031 HFLPTXUIMCGKHD-UHFFFAOYSA-N 324.432 3.128 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)c1cccc(Cl)c1Cl 80381229 WGTAXELTHFFKPQ-UHFFFAOYSA-N 311.168 3.253 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)N[C@H](C)CC 223139432 DUSTUZLCJYQQED-ZIAGYGMSSA-N 322.424 3.258 0 40 DGAB Cc1noc([C@H]2CCCCN2C(=O)CCCc2ccccc2)n1 40714463 ZUNQDVZBQQCSFM-MRXNPFEDSA-N 313.401 3.455 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1 224432845 IVUZFZPFWHUBTP-QGZVFWFLSA-N 313.397 3.348 0 40 DGAB CCc1csc(N2CCc3c(F)ccc(C(=O)O)c3C2)n1 530175564 SWGNQJUSRPNXOC-UHFFFAOYSA-N 306.362 3.106 0 40 DGAB O=C(Nc1ccsc1)[C@@H]1CCCN(C(=O)NC2CCCC2)C1 96444743 IWWVQVPSPPTPGH-GFCCVEGCSA-N 321.446 3.051 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)c1 96658881 LPXCHIAZCVAVHM-CQSZACIVSA-N 319.426 3.352 0 40 DGAB Cc1ccccc1C1CC(N[C@H](C)C(=O)NCc2ccco2)C1 97371150 NKHCFFKVNMXXSL-QQFBHYJXSA-N 312.413 3.129 0 40 DGAB CC(C)(C)c1nnc(NCc2cnc(-c3ccccn3)s2)o1 97375472 UCDBHPUPHIKWBV-UHFFFAOYSA-N 315.402 3.498 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1F 97377277 AVTJLKIASWFMMF-JTQLQIEISA-N 322.359 3.355 0 40 DGAB O=C(c1ccc(F)cc1)N1CC(Cc2nccc3cc[nH]c23)C1 257254037 KBHUZZCXGMFMSH-UHFFFAOYSA-N 309.344 3.017 0 40 DGAB Cn1ncc2cc(NC(=O)c3ccnc(OCC4CC4)c3)ccc21 253407826 WUHLSIKDXZSDPO-UHFFFAOYSA-N 322.368 3.009 0 40 DGAB c1ccc2sc(CN3CCO[C@H](c4cnccn4)C3)cc2c1 257318892 VPVRRRZWZJEWTL-INIZCTEOSA-N 311.410 3.265 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 257270507 MUMZUHHEVIOOLG-LBPRGKRZSA-N 323.318 3.367 0 40 DGAB CO[C@](C)(C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C1CC1 293178205 HIAQXVCOPARACG-MADCSZMMSA-N 322.352 3.154 0 40 DGAB Cc1nc(CCNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)cs1 56359743 YAOUPTDKJAUQEJ-RYUDHWBXSA-N 320.380 3.479 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1NC(=O)COC1CCCCC1 69352044 NMNKFIQGEYOTEU-HZPDHXFCSA-N 303.402 3.017 0 40 DGAB CCCc1noc([C@H](C)Oc2ccc3ccc(=O)oc3c2)n1 75147068 OKNPSATUHXIXAX-JTQLQIEISA-N 300.314 3.269 0 40 DGAB CC(C)(C)c1nnc(N2CCN(c3ccccc3F)CC2)s1 301665946 OFLFIKURCVWIQC-UHFFFAOYSA-N 320.437 3.301 0 40 DGAB Cn1cccc1[C@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Cl 88574356 YLCRJLQQABWGRM-GFCCVEGCSA-N 318.808 3.256 0 40 DGAB O=C(c1ccco1)N1CCC[C@@H](c2[nH]ncc2-c2ccncc2)C1 12221837 UBMWHOPZURNJHQ-CQSZACIVSA-N 322.368 3.085 0 40 DGAB NC(=O)c1ccc(COC(=O)CCc2ccc(Cl)cc2)cc1 12953123 NCUPURFKVJLHNH-UHFFFAOYSA-N 317.772 3.115 0 40 DGAB FC(F)(F)c1cc(OC2CN(C3CCSCC3)C2)ccn1 1889070474 VXZSANIQMSSSAX-UHFFFAOYSA-N 318.364 3.059 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1cccs1 25189665 KOLNDHBWSVIULM-UHFFFAOYSA-N 315.394 3.057 0 40 DGAB C[C@@H](NC(=O)NCc1ccccc1)c1ccc(-n2ccnc2)cc1 25113635 HOPLKOUJRYBJEP-OAHLLOKOSA-N 320.396 3.433 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1cccs1 32930894 PCAWUDKNJYCHDT-CYBMUJFWSA-N 311.410 3.354 0 40 DGAB Cc1cccnc1OCC1CCN(C(=O)C2CC(F)(F)C2)CC1 1775995520 BECYCSYQZLDORF-UHFFFAOYSA-N 324.371 3.053 0 40 DGAB CCc1nccn1CC1CN(c2nc3ccc(F)cc3s2)C1 2087146137 QYNATZICCGNAED-UHFFFAOYSA-N 316.405 3.331 0 40 DGAB CCOCc1cncc2c1CCN(C(=O)[C@H]1CC[C@H](C)CC1)C2 1565551537 HGRNLUUSDKPJNX-SHTZXODSSA-N 316.445 3.329 0 40 DGAB COc1ccc2oc(=O)c(C(=O)Nc3ccccc3C)cc2c1 313973 JPDUGGADVYIFGI-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCSC1=NCCN1C(=O)c1ccc(C(F)(F)F)cc1 4119779 HCQBDAHPEQETBH-UHFFFAOYSA-N 302.321 3.270 0 40 DGAB Nc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)s1 4942593 BBWYIQZVXDNXHV-UHFFFAOYSA-N 320.226 3.402 0 40 DGAB Cc1ccc(N2C[C@H](CNC(=O)Nc3ccccc3)CC2=O)cc1 9040393 YCTXVHWKPIRGQG-HNNXBMFYSA-N 323.396 3.170 0 40 DGAB O=c1[nH]cccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 15829115 WUKHBPBBDGSDQV-UHFFFAOYSA-N 307.231 3.111 0 40 DGAB C[C@@H](O)c1ccc(CCNC(=O)CCc2ccccc2)s1 618255367 BTIFMWXZYOKMPR-CYBMUJFWSA-N 303.427 3.093 0 40 DGAB CCOc1ccc(S(=O)(=O)NC2CCCCCC2)cc1C 30289380 NPLREAQJTICMPC-UHFFFAOYSA-N 311.447 3.395 0 40 DGAB C[C@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1cccs1 40120696 VKCGKZYWUNYBNU-NSHDSACASA-N 318.398 3.080 0 40 DGAB O=C(NCCc1ccc(F)cc1)N(Cc1ccccn1)C1CC1 40494252 ZEOGLTXZEGTGNN-UHFFFAOYSA-N 313.376 3.137 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N[C@H](C)[C@H]1CCCO1 40533960 QUNFNFFSGIOADC-MWLCHTKSSA-N 306.387 3.009 0 40 DGAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1cccnc1)nn3C 4296036 XALQYKDYYJJDHB-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB CSc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 6942353 WDCZGXDGBNHMBY-UHFFFAOYSA-N 301.367 3.432 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1C[C@@H]1CC1(Cl)Cl 15355661 HBJZFBHAAPLFCV-ZETCQYMHSA-N 303.576 3.244 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NC(=O)C2[C@H]3CCC[C@H]23)cc1 101555976 PICHHQBQGDTORU-ZLIFDBKOSA-N 309.413 3.404 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1 8517864 NSVZFAYKVHAFMG-QGZVFWFLSA-N 319.426 3.433 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@H]1CCc2ccccc21 32850796 WKQJBWVBTLZEEP-INIZCTEOSA-N 311.381 3.268 0 40 DGAB O=C(CCc1ccc(F)c(F)c1)Nc1cccc2cn[nH]c12 32816542 CXMGFNPLYIQRJO-UHFFFAOYSA-N 301.296 3.412 0 40 DGAB O=C(c1cccc(Cl)c1)c1c(O)c2ccccc2oc1=O 104122796 SPNGPZILGXCBMX-UHFFFAOYSA-N 300.697 3.383 0 40 DGAB C[C@@H](CNC(=O)CCc1ccsc1)N(C)c1ccccc1 32931203 ALIRRJQOALGVKO-AWEZNQCLSA-N 302.443 3.322 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)Nc2ccccc21 21891794 SPHLCSSGPZYSMY-DOMZBBRYSA-N 306.365 3.090 0 40 DGAB Cc1ccccc1C(=O)N1CCC(c2nnc3ccccn23)CC1 24326168 JVOVCBHKADDRAD-UHFFFAOYSA-N 320.396 3.058 0 40 DGAB O=C(O)c1ccc(NC(=O)c2cccnc2Cl)cc1Cl 20143550 KNJIRIHLGVFSGY-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB C[C@@H](NC(=O)CN1CCCc2cc(F)cc(F)c21)c1ccco1 26726248 GEDNXAZMIXQANJ-LLVKDONJSA-N 320.339 3.188 0 40 DGAB CCCn1nnnc1NCc1ccc(-c2ccccc2F)o1 7263435 ULZRUNIHVOXMLM-UHFFFAOYSA-N 301.325 3.094 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1 1961884 OTBRBZZEAUTSGY-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2ccc(Cl)cc2Cl)no1 44938136 ZVYRPNZOXKYASE-UHFFFAOYSA-N 320.197 3.405 0 40 DGAB Cc1nc(S[C@H](C)c2cccc(F)c2)sc1CC(N)=O 48705822 FKKSTEZBWBSUNX-SECBINFHSA-N 310.419 3.472 0 40 DGAB CCOc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1 13022669 YEGMRMUGTNCREZ-UHFFFAOYSA-N 318.398 3.048 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)CC[C@@H]2CCCO2)cc1 69416922 SHZAUMLHSINCEV-YOEHRIQHSA-N 305.418 3.044 0 40 DGAB COc1ccc(C(=O)O[C@@H](c2ccccc2)c2ccncc2)cn1 68724834 HCBZZRUSKOHIGT-SFHVURJKSA-N 320.348 3.432 0 40 DGAB C[C@@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N1CCCC1 14121833 KRVFZMIAZMJIGC-JTQLQIEISA-N 315.398 3.401 0 40 DGAB COc1c(C)c(O)c2c(=O)cc(-c3ccc(O)cc3)oc2c1C 14780122 QJSQOGJCHBXLAH-UHFFFAOYSA-N 312.321 3.497 0 40 DGAB biogenic,in-vitro Cc1ccc2nc(S[C@H](C)C(=O)NC3CCCC3)[nH]c2c1 5927821 RQRVNIADFDPTFG-LLVKDONJSA-N 303.431 3.411 0 40 DGAB NC(=O)Nc1cccc(C(=O)N2CCCCc3ccccc32)c1 69514340 ONGSRWGKTLMFHY-UHFFFAOYSA-N 309.369 3.160 0 40 DGAB CCn1c([C@@H]2CCCN2C(=O)NC(C)C)nc2ccccc21 69567356 AAUATBIHDVCZOM-HNNXBMFYSA-N 300.406 3.311 0 40 DGAB COc1ccncc1NC(=O)CCSc1ccc(F)cc1 69898078 QMMHOKCFJSAGJV-UHFFFAOYSA-N 306.362 3.350 0 40 DGAB O=C(c1nn(-c2ccc(F)cc2)c2c1CCCC2)N1CCCC1 8728773 FXDVXUHMZCXIIL-UHFFFAOYSA-N 313.376 3.126 0 40 DGAB CC[C@H]1C[C@@H]1NC(=O)c1cccnc1SCc1cc(C)on1 71908210 TVMJEJDAKVXRSH-FZMZJTMJSA-N 317.414 3.199 0 40 DGAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)c1 96012476 ZANCCECOFYIVRC-LJQANCHMSA-N 324.380 3.401 0 40 DGAB CC(C)CCC(=O)N[C@@H]1CCCc2cn(CC(F)(F)F)nc21 96002962 YSOULVDQKZJUBA-GFCCVEGCSA-N 317.355 3.375 0 40 DGAB CCCCN(C(=O)c1cnc2c(c1)ncn2C)c1ccccc1 97235152 WBZJYGLELKRLNM-UHFFFAOYSA-N 308.385 3.415 0 40 DGAB CCc1ccc(CNC(=O)[C@](C)(c2ccccc2)N(C)C)s1 97212270 LFJXPXFXJNVIGG-SFHVURJKSA-N 316.470 3.404 0 40 DGAB Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCCCCC1 22525147 WKASXZUMOVICKH-QGZVFWFLSA-N 318.461 3.145 0 40 DGAB CCNC(=O)N1CCc2ccc(N[C@H]3CCCSC3)cc21 97371185 IGUAQFTUDLCFNQ-AWEZNQCLSA-N 305.447 3.086 0 40 DGAB O=C([C@@H]1CCOC1)N1CCSc2ccc(C(F)(F)F)cc21 84452257 DHFXXJNVCBLZBS-SECBINFHSA-N 317.332 3.181 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1Oc1ccccc1)c1nc[nH]n1 95460833 NCIFHGAJBBBNLH-LBPRGKRZSA-N 323.356 3.480 0 40 DGAB COc1cc(CNC[C@@H]2CCO[C@@H](C)C2)cc(Cl)c1OC 95457716 STTWXGBGCLCVGD-NWDGAFQWSA-N 313.825 3.262 0 40 DGAB CCOCCC1(C(=O)Nc2cccc(C(N)=O)c2C)CCCC1 95418879 FMFRHPXUZZRLCL-UHFFFAOYSA-N 318.417 3.019 0 40 DGAB CC(C)(C)c1nccc(N[C@H]2CCO[C@@]3(CCSC3)C2)n1 95426404 XXRPMEOECQTLJF-LRDDRELGSA-N 307.463 3.241 0 40 DGAB CCCCN(C)C(=O)Nc1ccc(OC[C@H]2CCOC2)cc1 77520053 BEMXAOIRGLAVFY-AWEZNQCLSA-N 306.406 3.366 0 40 DGAB C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 95978201 KXYJLFLMABIJNV-DYVFJYSZSA-N 313.376 3.075 0 40 DGAB Cc1n[nH]c(C(C)C)c1C(=O)N[C@@H](C)COc1ccc(F)cc1 95978362 NXMUFPLYWMHQQN-NSHDSACASA-N 319.380 3.178 0 40 DGAB CC[C@H](NC(=O)c1cccc(C(=O)O)c1)c1ncc(C)s1 95976717 FZBUFIKUDMNQET-LBPRGKRZSA-N 304.371 3.031 0 40 DGAB CC1(C)CN(c2ccnc3ccc(Cl)cc23)CC[S@@]1=O 88756831 CSAWMIYYQKKYBO-HXUWFJFHSA-N 308.834 3.236 0 40 DGAB COc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cnc(C3CC3)nc2)c1 89469898 YAMNMSQBWYNQSI-HOTGVXAUSA-N 309.369 3.105 0 40 DGAB Cc1nn(C)cc1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28236987 MYESYFLCYJAUDF-CYBMUJFWSA-N 308.385 3.010 0 40 DGAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 30754704 PEUJSHDGWNHOMZ-DOTOQJQBSA-N 313.397 3.292 0 40 DGAB CCOc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1OCC 405577313 DFJRFNLZYNLNPM-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)NC[C@]1(C)CCCS1 120495918 DYGTYTKRLGBZRN-GUYCJALGSA-N 322.474 3.288 0 40 DGAB Cc1ccc(-c2nc(CN(CC(=O)O)C3CCC3)co2)cc1 514798409 JJPOBCGBYNDBRF-UHFFFAOYSA-N 300.358 3.089 0 40 DGAB Cc1c(C(=O)N[C@@H]2C[C@H]2c2ccsc2)sc2nccn12 530000796 ILGJFTXPIIJTIE-WDEREUQCSA-N 303.412 3.052 0 40 DGAB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)C(C)C)C3)o2)s1 72390088 XHJITTBHGVPQBK-LBPRGKRZSA-N 319.430 3.469 0 40 DGAB Cc1cc(F)ccc1NC(=O)N[C@H](CCO)c1ccccc1 77671144 KKFKXHSODYWPGM-MRXNPFEDSA-N 302.349 3.379 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](O)c2cccc(C(F)(F)F)c2)o1 78664765 AZNVUZNBFAOBED-GFCCVEGCSA-N 313.275 3.070 0 40 DGAB CC1(C)C[C@@H]1C(=O)NCC1(NC(=O)C2=CCCCCC2)CCC1 1062811193 BMSIYJHTPPSKAQ-OAHLLOKOSA-N 318.461 3.078 0 40 DGAB CCc1noc(CSc2nc(N)c3c(C)c(C)sc3n2)n1 31823577 WUYSYEMTJIBQPR-UHFFFAOYSA-N 321.431 3.128 0 40 DGAB O=C(CCCc1ccccc1)N[C@H]1CCN(Cc2ccccc2)C1 40107263 UPKORVHKLVWYLR-FQEVSTJZSA-N 322.452 3.400 0 40 DGAB O=C(NCc1ccnc(-c2cccnc2)c1)Nc1ccccc1 225640883 LZGVAXDJXVMNIO-UHFFFAOYSA-N 304.353 3.465 0 40 DGAB Nc1ccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 40817545 AOPZWAXIJWCRPV-UHFFFAOYSA-N 320.396 3.165 0 40 DGAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)Oc1ccccn1 41095787 OMTSLVDXCXEARW-UHFFFAOYSA-N 318.181 3.465 0 40 DGAB CCOc1cccc2cc([C@@H](C)NC(=O)C(C)(C)C(=O)O)oc12 567355722 MEVMPYMXLRTXEO-SNVBAGLBSA-N 319.357 3.120 0 40 DGAB CC[C@H](C)NC(=O)[C@H](C)n1cc(-c2ccc(OC)cc2)cn1 227154304 DMSYEDOUPIGUCV-STQMWFEESA-N 301.390 3.034 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cc(C)ccn1 225585007 NOHXJDABUZOZMM-HNNXBMFYSA-N 320.506 3.331 0 40 DGAB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(F)cc1 225475300 FYAYCGBDHQBTMY-JTQLQIEISA-N 305.378 3.277 0 40 DGAB COc1ccc(Cn2nc(-c3ccc(F)cc3)ccc2=O)cc1 40267751 SKSIXRMDICMECN-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)cc1C 40095460 KZPLVNSZYVMREO-INIZCTEOSA-N 320.339 3.437 0 40 DGAB O=C(NC[C@H](O)c1csc2ccccc12)[C@@H]1CC=CCC1 225694039 IHJAVHBAWUJJFD-DOMZBBRYSA-N 301.411 3.407 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@@H]1c1c(F)cccc1F 96407831 RJBGZUYTLZNZGR-KBPBESRZSA-N 317.335 3.433 0 40 DGAB CC(C)Nc1cccc(C(=O)Nc2cnn(CC(F)F)c2)c1 96421723 ACHWGZCSWKZXEY-UHFFFAOYSA-N 308.332 3.221 0 40 DGAB CCCc1nc(-n2cccc2)sc1C(=O)N1CCSCC1 95475715 OMUUCXZJCNMSIM-UHFFFAOYSA-N 321.471 3.075 0 40 DGAB Cc1cccc(CN2CCC[C@]3(CCCN3C(=O)C(C)C)C2)n1 96214518 LTUGWTKVYNWILR-IBGZPJMESA-N 315.461 3.003 0 40 DGAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)Cc1cc(F)ccc1F 96443101 NPRQDQYEEVCFFS-QWRGUYRKSA-N 305.328 3.090 0 40 DGAB O=C(c1cccc(CN[C@H]2CCCSC2)c1)N1CCCCC1 97370986 ORKHAXQVSSHNSA-KRWDZBQOSA-N 318.486 3.298 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CCNc1cccc(F)n1 96447486 CRYFFWOJKYBUIJ-UHFFFAOYSA-N 323.755 3.323 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2cccc3cccnc23)n1 257269768 MRHUOWFEBWKSQI-KRWDZBQOSA-N 319.412 3.404 0 40 DGAB CC(C)N1CC[C@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1 257232370 GKOVROSEIOFQCB-OAHLLOKOSA-N 313.449 3.194 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1ccc(Cl)cc1 257254643 KEBQJRUIJYOYKU-ZBFHGGJFSA-N 322.836 3.164 0 40 DGAB Cc1ccccc1C[C@H](C)N(C)C(=O)c1cccc(C(=O)O)c1 450545687 ZXZHANDJCXBOIK-AWEZNQCLSA-N 311.381 3.396 0 40 DGAB Cc1csc(C(=O)NCCc2nc(-c3ccco3)cn2C)c1 85471242 BMOQPKVAVUTMBJ-UHFFFAOYSA-N 315.398 3.023 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)c2ccc(F)c(F)c2)c(C)o1 85561317 WTYZMHOZHISNHQ-OAHLLOKOSA-N 309.312 3.028 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2cccs2)c1 49121650 AKMMPISUOSJRTQ-LBPRGKRZSA-N 316.426 3.206 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H]2CCC[C@H]21 53376839 JPRYGXFMHQKSRB-QZTJIDSGSA-N 312.413 3.271 0 40 DGAB COc1ccccc1[C@H](N[C@H](C)c1ccccn1)c1noc(C)n1 97037758 GTYFVQRKZWIVAB-PXAZEXFGSA-N 324.384 3.222 0 40 DGAB CC(C)[C@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5156996 IESBGFNMSPMHCI-JTQLQIEISA-N 305.161 3.224 0 40 DGAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)NC1CCCC1 14267175 PBFVICQRHOUFQN-UHFFFAOYSA-N 302.349 3.472 0 40 DGAB C[C@H]1c2cccn2CCN1Cc1cncc(Br)c1 29706385 SANFBPWPAHJMEM-NSHDSACASA-N 306.207 3.222 0 40 DGAB CCCC(CCC)NC(=O)c1cc(OC)c2c(c1OC)OCO2 15106814 IRDUFUOAVVEEOB-UHFFFAOYSA-N 323.389 3.131 0 40 DGAB O=S(=O)(c1cccc2ccccc12)N1[C@H]2CC[C@H]1CC(F)C2 1775967727 ARRSJKNSIZFNPG-GJZGRUSLSA-N 319.401 3.493 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCc1cncc(-c2ccoc2)c1 575619900 HNMQXXMWXXQOIP-AWEZNQCLSA-N 322.364 3.425 0 40 DGAB OC1C[C@@H]2CC[C@H](C1)N2Cc1ccc(OC(F)(F)F)cc1 107926828 NWXHWQDTCGCOJZ-FUNVUKJBSA-N 301.308 3.073 0 40 DGAB CC1CCN(CCCNC(=O)c2cc3cc(F)ccc3[nH]2)CC1 30565080 PYQXZZPPFYDTPF-UHFFFAOYSA-N 317.408 3.159 0 40 DGAB C[C@@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)O)c23)C1 84878 FXFLKQRNKXZSGQ-HTQZYQBOSA-N 308.428 3.381 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1 11496598 GJLHDJYJVOMAGP-NSHDSACASA-N 305.761 3.461 0 40 DGAB COc1cccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)NC3=O)c1 1404794 XEYCZZKJPJWHHA-HNNXBMFYSA-N 323.327 3.057 0 40 DGAB Cc1cccc2c1N(CCOc1ccc(Cl)cc1)C(=O)C2=O 3647801 KULZTWOOVPDPNB-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1 222123 QYJGWUOROFQNSH-JKSUJKDBSA-N 309.348 3.267 0 40 DGAB Cc1cccc(C(=O)NCCCN(C)C(=O)c2cccc(C)c2)c1 6216775 QXRCLMJGTFHXPA-UHFFFAOYSA-N 324.424 3.196 0 40 DGAB Cc1cc(C)cc(OC[C@H](O)CN2CCc3ccccc3C2)c1 6500837 IVCXCGOXNLBOKU-LJQANCHMSA-N 311.425 3.101 0 40 DGAB CC[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C)cc1 7792626 QYIKJJPTEKTFSR-MAUKXSAKSA-N 311.381 3.402 0 40 DGAB Cc1cccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)c1 347110 XZWIFWURAWWQHG-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1sc(NC(=O)CCc2ccccc2)c(C(N)=O)c1C 311501 VHDBCRLDOMIKSW-UHFFFAOYSA-N 302.399 3.035 0 40 DGAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1c(F)cccc1F 102151525 TWCSGDZTDOCUPC-SRVKXCTJSA-N 323.339 3.273 0 40 DGAB CC(=O)NCc1ccc(C(=O)O[C@@H](C)c2ccc(F)cc2)cc1 32736662 XTMQFITVIRRHJF-LBPRGKRZSA-N 315.344 3.380 0 40 DGAB Cc1sc(NC(=O)C2=COCCO2)nc1-c1ccc(F)cc1 8734605 OTYHAXSMFQKDGN-UHFFFAOYSA-N 320.345 3.084 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N(Cc1ccccn1)C1CC1 52552867 QUGFKMXJIQYLBX-UHFFFAOYSA-N 318.380 3.277 0 40 DGAB O=C(CCc1ccc(F)c(F)c1)N1CCOc2ccccc21 33168152 QXUPDNAPEWPJAE-UHFFFAOYSA-N 303.308 3.323 0 40 DGAB CC(C)C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(=O)O 539029 XANYRWJCGMXZPH-NSHDSACASA-N 318.295 3.326 0 40 DGAB CCn1nc(C)c2nc(C)nc(N3CCc4ccccc4C3)c21 57312597 SHCCPLLDZBXXQN-UHFFFAOYSA-N 307.401 3.026 0 40 DGAB Cc1ccccc1[C@H](NC(=O)c1cc(C(N)=O)cs1)C1CC1 75137483 KSUOIUUXYWUMEB-OAHLLOKOSA-N 314.410 3.037 0 40 DGAB CCOc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 55768206 MVESMPZSKAEDIT-UHFFFAOYSA-N 313.353 3.385 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2ccc(C)c(OC)c2)s1 24708510 RSMGXBUETYBZTC-UHFFFAOYSA-N 319.382 3.033 0 40 DGAB O=C(NC1CCCCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 8234711 UQEMAMXHMIMRAJ-AWEZNQCLSA-N 306.450 3.007 0 40 DGAB C[C@H]1CCc2ccccc2N1C(=O)Cc1cn2ccsc2n1 8278609 PLIBMIMAQROFEE-LBPRGKRZSA-N 311.410 3.306 0 40 DGAB CCn1nccc1CN(C)C(=O)c1cccc(C(F)(F)F)c1 28219240 TVJKNUYJUQHYGY-UHFFFAOYSA-N 311.307 3.194 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)NC(C)(C)C)o2)cc1 63888091 LGIIJTYXYLYLSS-UHFFFAOYSA-N 302.374 3.198 0 40 DGAB CCCNc1nnc(SCc2cccc(C(=O)OC)c2)s1 26617621 NXTULJHZTXJZPK-UHFFFAOYSA-N 323.443 3.439 0 40 DGAB COc1ccc(OC)c([C@H](C)NC[C@H](O)c2ccccc2)c1 26714747 BTBDSUYHJYCNJB-GUYCJALGSA-N 301.386 3.088 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)Nc1c(F)cccc1F 58160716 VVFZZIYLWWLKRS-NSHDSACASA-N 320.339 3.263 0 40 DGAB COc1cc(/C=C/c2ncc(C(=O)O)s2)cc(Cl)c1O 58161788 QYPZONZKOAIEDU-NSCUHMNNSA-N 311.746 3.379 0 40 DGAB O=C(CSCc1cccc(Cl)c1)NCc1ccccn1 21026550 DSPGNRLQVRJANE-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB Cc1ccccc1C(=O)NCc1cccnc1N1CCCCC1 58289264 POBYPHQGDUNBQZ-UHFFFAOYSA-N 309.413 3.310 0 40 DGAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)c1 27808913 NZCGVSBYUPSQDE-GFCCVEGCSA-N 318.446 3.408 0 40 DGAB COc1ccc(-c2cc(CNC(=O)NC3CCCC3)on2)cc1 58342420 GFJOAZAWXBRIET-UHFFFAOYSA-N 315.373 3.092 0 40 DGAB COc1ccc(CSc2nc3nc(C)cc(C)n3n2)cc1F 3390142 ZGJCRHSKPOJNBX-UHFFFAOYSA-N 318.377 3.181 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3317686 VQSIIMPNJURVEY-IUODEOHRSA-N 323.820 3.121 0 40 DGAB COC(=O)c1sc(NC(=O)/C=C/c2ccccc2F)nc1C 12740505 ZAQREBWKIAPBHN-BQYQJAHWSA-N 320.345 3.029 0 40 DGAB C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2CCc2ccccc2)C1 48324373 ILZKFQIMEMMVIE-PKOBYXMFSA-N 314.473 3.342 0 40 DGAB O=C(O)c1cccnc1SCc1cc2c(cc1Cl)OCO2 4393387 DNRCKFZSWLAKSS-UHFFFAOYSA-N 323.757 3.454 0 40 DGAB C[C@H](CNC(=O)Nc1cccc(C(F)F)c1)Cn1cccn1 69509940 AVKHUQRMPYNHEW-LLVKDONJSA-N 308.332 3.279 0 40 DGAB NNc1cc(-c2ccccc2)nc2c(-c3ccccc3)cnn12 5246719 NALDDTQJTVJRDZ-UHFFFAOYSA-N 301.353 3.349 0 40 DGAB Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1cccnc1 92648496 PKCVYGMURXAWQE-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CCOc1ccc(CC(=O)Nc2cccc(C(=O)OC)c2)cc1 14015270 LLZQSVAIYQTJBF-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)o1 4592269 XNODKUQGLMTWIM-UHFFFAOYSA-N 307.415 3.364 0 40 DGAB CSc1nc(C)c(CCC(=O)NCc2ccccc2)c(C)n1 5403659 ZXWRYPUOGMCVTC-UHFFFAOYSA-N 315.442 3.064 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)NC1CCCCCC1 6540057 ZFNMSFKDQOJSBO-UHFFFAOYSA-N 313.401 3.334 0 40 DGAB COc1ccc(C)cc1NC(=O)c1c(OC)cccc1OC 4699037 AFIKOOORSLECFZ-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4600136 JKMKFVJLYBZSHJ-BMFZPTHFSA-N 303.402 3.015 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccncc2)cn1 66511167 DFGPMTOMBPZSFB-UHFFFAOYSA-N 314.345 3.076 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2c[nH]c3ccccc23)c1C 7063799 VUWJIMWJHAMLQA-UHFFFAOYSA-N 323.396 3.288 0 40 DGAB O=C(NC[C@H](O)c1ccc2ccccc2c1)Nc1ccncc1 67408085 XHAKGDCHTMCUKB-KRWDZBQOSA-N 307.353 3.090 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2cccc(Cl)c2)C1 67801160 XCTBVQRSGNTTDV-CQSZACIVSA-N 310.825 3.439 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1 7505222 CMDJLLBXKVAPRN-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB Oc1cnnc(Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 7996460 SZRUKSNYNZTNLN-UHFFFAOYSA-N 324.184 3.358 0 40 DGAB Cc1cc(CS[C@@H](C)C(=O)N(C)Cc2ccccc2)no1 71818638 UDVBBQMGYUZWAD-ZDUSSCGKSA-N 304.415 3.263 0 40 DGAB Cc1noc(C)c1NC(=O)C1CCN(Cc2ccccc2)CC1 84025520 BTKFSFAGRMQJFQ-UHFFFAOYSA-N 313.401 3.142 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c(C)n1C1CC1 72282704 SFNIHJBRGJSVGJ-AWEZNQCLSA-N 312.417 3.183 0 40 DGAB CCCCC[C@@H](C)NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 25348112 ZAKLFBWRRBFMRM-RISCZKNCSA-N 306.381 3.337 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@@H](CO)c1ccccc1 97232916 FEFFRCKAJUDARI-ILXRZTDVSA-N 301.411 3.010 0 40 DGAB CN(Cc1ccc(F)cc1)[C@@H]1CCN(c2ccccc2F)C1=O 78670688 RTZZUHXFMWNYMJ-QGZVFWFLSA-N 316.351 3.202 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)[C@H](C)C1 78897316 YSOZFGXDDQNSPH-IAQYHMDHSA-N 312.816 3.216 0 40 DGAB Cc1ccccc1-c1nnc(Cn2ccc(=O)c3sccc32)o1 78986676 DYVKBCOVLZJJKZ-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB CCc1ocnc1C(=O)Oc1cccc(OCC(F)(F)F)c1 95399651 FNRJNVYBSFLYOO-UHFFFAOYSA-N 315.247 3.397 0 40 DGAB CC(=O)Nc1ccccc1CNc1cccc(N(C)C(C)=O)c1 95432959 RENFMBJCSHAVKJ-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB CCCc1cc(N2CCCC[C@@H]2CC(C)C)n2ncnc2n1 79097942 MOHKEKFCXYKHBT-OAHLLOKOSA-N 301.438 3.482 0 40 DGAB CCCCn1c(S[C@H]2CCN(C3CC3)C2=O)nc(C)c1C 79014648 ZUWPISOJHCFVEM-AWEZNQCLSA-N 307.463 3.155 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)NCCc1ccncc1 89322845 BMRRAJAOGHXARW-UHFFFAOYSA-N 318.808 3.165 0 40 DGAB COc1ccc2cc(CNC(=O)c3c(C)nn(C)c3C)ccc2c1 9942804 LQUUWZXCNOBPPY-UHFFFAOYSA-N 323.396 3.129 0 40 DGAB Cc1cccc(-n2nnnc2C(C)(C)NCCc2ccccc2)c1 35622478 UVAZJEJEECLYTO-UHFFFAOYSA-N 321.428 3.038 0 40 DGAB CCOc1ccccc1-c1nc(Sc2ccc(C=O)o2)n[nH]1 408558815 WEJJHULHJHAZKA-UHFFFAOYSA-N 315.354 3.427 0 40 DGAB Cc1ncn(-c2ccc(NC(=O)c3ncccc3F)cc2)c1C 1527491706 SRNKYMLSUOYKEJ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1ccc2c(c1)CN(C(=O)c1nn(C)c3ccccc13)CC2 529514871 DCJCQAYDHALDLK-UHFFFAOYSA-N 305.381 3.080 0 40 DGAB CC(=O)c1ccc(OCc2ccccc2)c(CS(C)(=O)=O)c1 39188749 XOKGSCCPSULYAP-UHFFFAOYSA-N 318.394 3.013 0 40 DGAB CCc1nccn1-c1cncc([C@@H]2CCCN2C2CCCC2)n1 72378707 PJYRQTVLCNXEEW-INIZCTEOSA-N 311.433 3.304 0 40 DGAB C[C@@H](Nc1ccc2c(c1)CCCO2)c1nc2ccccc2c(=O)[nH]1 79030450 PKCLOKIEBXFWLP-GFCCVEGCSA-N 321.380 3.421 0 40 DGAB CCc1c(C)[nH]c2ccc(I)cc2c1=O 38005054 FVBMUCYHKKORSE-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB CSCCCNC(=O)Nc1nn(-c2ccccc2)cc1C 77460520 GYNOAJIAIQOERZ-UHFFFAOYSA-N 304.419 3.055 0 40 DGAB Cn1cc(/C=C2\SC(=O)N=C2Nc2ccc(F)cc2)cn1 71285904 SCGDIUFRIBXXDI-SDQBBNPISA-N 302.334 3.278 0 40 DGAB COCCn1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)n1 189489481 XDVTYOBPKMGWLX-MRXNPFEDSA-N 319.449 3.105 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NCC(C)C)cc1Br 72414531 GWMSTYQWKQNTRQ-UHFFFAOYSA-N 320.252 3.000 0 40 DGAB CCC(=O)Nc1ccc([C@H](C)N[C@@H](C)c2nc(CC)no2)cc1 79354833 SENGRVPLPYNSCX-RYUDHWBXSA-N 316.405 3.392 0 40 DGAB COc1ccc(NC(=O)NCc2ccc(F)c(C)c2)c(OC)c1 43330797 JETFAPQGZFKSMM-UHFFFAOYSA-N 318.348 3.473 0 40 DGAB CC(=O)N1CCC(Cc2cncc(-c3ccc(C)cc3)n2)CC1 72360711 DYJGHFFSXHHZMM-UHFFFAOYSA-N 309.413 3.253 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCC(C)C 224277345 PLMGKOTXZSLCIQ-ZDUSSCGKSA-N 324.852 3.239 0 40 DGAB C[C@@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CC2CCC1CC2 563273796 VZPICZAZYVYAGB-UQGQJXCFSA-N 317.477 3.302 0 40 DGAB CC1(C)CC(=O)Nc2ccc(C(=O)N3CCCCCC3)cc21 222282867 DGWHYNSFWLTBPG-UHFFFAOYSA-N 300.402 3.323 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC(C)(C)C 223717396 NIMKAXJVAVLLBU-INIZCTEOSA-N 318.461 3.161 0 40 DGAB CCCCCNS(=O)(=O)c1ccc2cc(OC)ccc2c1 223298825 SYCYNFXXICEEOT-UHFFFAOYSA-N 307.415 3.317 0 40 DGAB COC[C@H]1CC2(CCN(Cc3ccsc3)CC2)CN1C(C)C 96051748 DENOZJRDJKOOKS-QGZVFWFLSA-N 322.518 3.459 0 40 DGAB O=C(O)CCCCCCNC(=O)C12CC3CC(CC(C3)C1)C2 95471833 WFBDSTDWDROYIK-UHFFFAOYSA-N 307.434 3.354 0 40 DGAB Cc1ccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)cc1 96658966 LVYKIGFSPHXNQN-UHFFFAOYSA-N 323.845 3.311 0 40 DGAB CC[C@@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1nccs1 97234485 HBWQPORVXBUWHS-OLZOCXBDSA-N 319.434 3.254 0 40 DGAB COc1ccc(-c2nc(N3CCCCC3)n(C)n2)c2cccnc12 96153062 OOEGNBVHSYRRBF-UHFFFAOYSA-N 323.400 3.029 0 40 DGAB O[C@]1(/C=C/c2ccccc2)CCOC[C@H]1NCc1ccccc1 95951728 NQXARPDMVRVEMA-XICOBVEKSA-N 309.409 3.010 0 40 DGAB CN1CCC[C@H]1CCSc1nnc(Cc2ccccc2)o1 96485293 HTDAHRMJSKIXME-AWEZNQCLSA-N 303.431 3.237 0 40 DGAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CC[C@H](O)C1 96501778 RBMQOMKBJCMVAG-AWEZNQCLSA-N 316.332 3.217 0 40 DGAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccoc1 253399397 JAWVNQXGKUXDEQ-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB CSC[C@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 584906840 SWKCPPMECYFXSE-DTWKUNHWSA-N 311.838 3.393 0 40 DGAB CC(C)(F)COC(C)(C)COC(=O)/C=C/c1cncc(F)c1 585136093 PPOGJBLJATVYBE-AATRIKPKSA-N 313.344 3.320 0 40 DGAB CC1(C)CC[C@H]2C[C@H](NC(=O)CCn3cncn3)c3cccc1c32 390834124 SKODKZYMQAYJHR-BBRMVZONSA-N 324.428 3.084 0 40 DGAB Cc1cnc([C@@H](C)NC(=O)N2Cc3ccccc3O[C@H](C)C2)o1 644219981 UZMFXLWVOGDIGF-CHWSQXEVSA-N 315.373 3.037 0 40 DGAB COCCc1cnc2n1CCN(Cc1cccc3[nH]ccc13)[C@H]2C 585097085 FMGRAJVKZHUMIB-AWEZNQCLSA-N 324.428 3.130 0 40 DGAB CC(=O)Nc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1 12144325 NGIMZQPQADAWIG-UHFFFAOYSA-N 307.353 3.099 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)[nH]n1 12144782 GKOMWELJZZIYQD-MRXNPFEDSA-N 323.400 3.387 0 40 DGAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)cc2)s1 14740032 HTYZMAZBMZXVLL-JTQLQIEISA-N 323.443 3.365 0 40 DGAB COc1ccc(NCc2cc3c(C)cc(C)cc3[nH]c2=O)cn1 19569308 RNLYAAUNJVVFNT-UHFFFAOYSA-N 309.369 3.161 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Br)cc1Cl 169229858 FXAUMGSLRWIAOG-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB Cc1nnc(-c2ccc(NC3CCC4(CC3)OCCO4)cc2)o1 157800573 QJOFGNGSYBEJEH-UHFFFAOYSA-N 315.373 3.143 0 40 DGAB CC(C)(C)CC(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154015 GCRXOBKWEXNMPT-UHFFFAOYSA-N 300.402 3.287 0 40 DGAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)OC)cc21 8959704 ZSTJWLRYIUMUCJ-UHFFFAOYSA-N 306.362 3.027 0 40 DGAB COc1cccc(CN2CCC[C@@H](N)[C@@H]2c2ccccc2F)c1 19565287 HQWWCAMXXCCTJB-MOPGFXCFSA-N 314.404 3.499 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888930466 LBODPCJMEBJSRS-CALCHBBNSA-N 320.436 3.396 0 40 DGAB FC(F)(F)c1cc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)ccn1 1889074438 JRFSXICQDBIPDY-VXGBXAGGSA-N 311.351 3.021 0 40 DGAB c1cc(OC[C@H]2CCCN(c3cc(C4CCC4)ncn3)C2)ccn1 1776001251 HVYOELMKALSQIO-HNNXBMFYSA-N 324.428 3.435 0 40 DGAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cncc(F)c1 1565523571 SUGAIJFAZZRWCO-OAHLLOKOSA-N 320.389 3.180 0 40 DGAB O=C(NCC[C@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 206625141 ZINDVBQJEYHUCG-CQSZACIVSA-N 319.351 3.251 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(F)c(F)c2)C1 108150917 GZFMOIGGJLMWKJ-ZDUSSCGKSA-N 310.388 3.092 0 40 DGAB CCOc1ncccc1CNC(=O)C12CC3CC(CC(C3)C1)C2 30308344 FUHVXQTUOZUNIQ-UHFFFAOYSA-N 314.429 3.313 0 40 DGAB CN1CCN(c2ccc(Nc3nc4ccccc4[nH]3)cc2)CC1 45690 OBYNTFAIIAIHBH-UHFFFAOYSA-N 307.401 3.058 0 40 DGAB COC(=O)c1c(N)sc(C(=O)Nc2cc(C)ccc2C)c1C 319874 GUDRDIUKVMJAHG-UHFFFAOYSA-N 318.398 3.294 0 40 DGAB Cc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)c(C)c1 11147314 YUZBAOVQINNERE-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB Cc1noc(CCCC(=O)N2CCC[C@@H]2c2cccs2)n1 40530042 MMRFVYJNCQCTIX-GFCCVEGCSA-N 305.403 3.126 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2cccs2)n1 40529813 NMIFDYGXYFLODF-NSHDSACASA-N 307.419 3.455 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCC[C@H](C)C1 2778719 QKZFBHQDFFLCPC-ONGXEEELSA-N 303.328 3.030 0 40 DGAB CC(C)(C)NCC(=O)Nc1ccccc1C(=O)c1ccccc1 8394846 YFGJDUAEZGEILV-UHFFFAOYSA-N 310.397 3.244 0 40 DGAB Cc1cccc(OCCNC(=O)N[C@@H]2CCCc3occc32)c1 32803512 IOEIXGZCCYTLTE-MRXNPFEDSA-N 314.385 3.344 0 40 DGAB c1ccc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)nc1 525385 PRTVPAWNANTXQZ-ZDUSSCGKSA-N 306.369 3.283 0 40 DGAB CC(C)CCNC(=O)Cc1csc(COc2ccccc2)n1 33326213 IJJKZAYQBWSHDT-UHFFFAOYSA-N 318.442 3.427 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cc1)OC2=O 100260825 VSTSJMMAROPSCQ-HOTGVXAUSA-N 307.777 3.400 0 40 DGAB COc1ccc(CC(=O)N(C)c2ccc(F)cc2)cc1OC 55750219 QSNPRCOBLJMPKA-UHFFFAOYSA-N 303.333 3.048 0 40 DGAB Cc1noc(CCCC(=O)N2CCC[C@H]2c2ccsc2)n1 46914473 CXZFTNRJTHHQQS-ZDUSSCGKSA-N 305.403 3.126 0 40 DGAB COc1cccc(CNC(=O)CNc2ccc(F)c(Cl)c2)c1 24040287 ITPBZEMCGBNZJZ-UHFFFAOYSA-N 322.767 3.216 0 40 DGAB CC(C)Oc1ccc(-c2noc(C(=O)N3CCCCC3)n2)cc1 12408762 CJBVGLAKRHLVFZ-UHFFFAOYSA-N 315.373 3.150 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccccn1 43136982 UQCAWLRWJPQMAB-AWEZNQCLSA-N 314.389 3.023 0 40 DGAB Cc1ccc(C)c(C(=O)c2cccc(CN3CCOCC3)c2)c1 43211007 BRGSKPQCMNKILQ-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CN1CC[C@H](Nc2cccc(COC3CCCCC3)c2)C1=O 81155363 FRQHVZDUDKQJJT-KRWDZBQOSA-N 302.418 3.179 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@@H](C)c3cnn(C)c3C)c2c1 25005251 UBROMHIBQWTILM-ZDUSSCGKSA-N 324.428 3.247 0 40 DGAB Cc1cc(NC(=O)c2cc(Cl)c[nH]2)ccc1N1CCCC1=O 25350346 CMRPEVAGBFSNLE-UHFFFAOYSA-N 317.776 3.356 0 40 DGAB O=C(O)C1(c2ccc(Br)c(Br)c2)CC1 26897716 MIBABGZLAJMVES-UHFFFAOYSA-N 319.980 3.328 0 40 DGAB O=C(OC[C@@H]1C[C@H]2CC[C@H]1C2)[C@H](c1ccccc1)n1cccn1 107348539 BPBVHCHPDFNBIB-DKIMLUQUSA-N 310.397 3.452 0 40 DGAB CC[C@@H]1CCCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 25949467 ZAYGJRCGELUSRA-OAHLLOKOSA-N 300.406 3.417 0 40 DGAB C[C@H](O)C[C@H]1CCCN1C(=O)[C@H](C)SCc1ccccc1 108129232 AXYMEODOKYMEMP-OFQRWUPVSA-N 307.459 3.070 0 40 DGAB O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1C[C@@H]2CCC[C@H](C1)C2O 108361858 QTTLWWJRFJZLRR-XXFAHNLHSA-N 305.462 3.212 0 40 DGAB Cn1ccnc1Sc1ccc(NC(=O)c2ccncc2)cc1 10423804 JJOKMIZFQMUWKL-UHFFFAOYSA-N 310.382 3.219 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)Cc1n[nH]c2ccccc12 58420591 MIQYELUMXHSXGE-CYBMUJFWSA-N 323.396 3.334 0 40 DGAB CCOC(=O)NCCC(=O)N1CCC[C@H]1c1ccc(C)c(C)c1 58424096 MMRCQHOJMNZHGI-INIZCTEOSA-N 318.417 3.103 0 40 DGAB Cc1csc(=O)n1CCN(C)CCCCc1ccccc1 48299702 JOFRPVWDFDUSCB-UHFFFAOYSA-N 304.459 3.173 0 40 DGAB C[C@H](Sc1nnnn1CC(F)(F)F)c1ccccc1F 69351348 NIMDVAWYUSQWMW-ZETCQYMHSA-N 306.288 3.228 0 40 DGAB COc1ccc(NC(=O)c2cn3ccccc3n2)cc1Cl 5191975 IWNANRCUZOJWOO-UHFFFAOYSA-N 301.733 3.249 0 40 DGAB O=C(C[C@H]1C=CCC1)NCCc1coc(-c2ccc(F)cc2)n1 69462675 NMVLQDQOMAFHOJ-ZDUSSCGKSA-N 314.360 3.496 0 40 DGAB Cc1nc(C(=O)N(C)[C@@H](C)C2CC2)nn1-c1ccccc1Cl 69415071 ODXMOHBIBOGYDC-JTQLQIEISA-N 318.808 3.100 0 40 DGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CC[C@H](c2ccccc2)C1 69559651 SADBENMQUSDJBL-ICSRJNTNSA-N 320.436 3.496 0 40 DGAB CCN1C(=O)N/C(=C/c2ccccc2OCc2ccccc2)C1=O 4680788 LGTXRPCRBHXUGY-FOWTUZBSSA-N 322.364 3.178 0 40 DGAB CCc1nc(CCNC(=O)c2ccccc2COC)sc1C 69600063 XJBRZBCKNKJPCT-UHFFFAOYSA-N 318.442 3.133 0 40 DGAB Cc1cccc(SCC2=NS(=O)(=O)c3ccccc3N2)c1 69737664 JBEWXIXCUFMGHR-UHFFFAOYSA-N 318.423 3.300 0 40 DGAB COc1ccc(COc2ccc(Cl)cc2C(N)=O)cc1F 7022681 NDJRRIQKTKSRIZ-UHFFFAOYSA-N 309.724 3.166 0 40 DGAB Cc1ccccc1NC(=O)c1cccc(CN2CCCC2=O)c1 7070024 VVOBSWFXLIUPKI-UHFFFAOYSA-N 308.381 3.370 0 40 DGAB Cc1ccc2nc(Nc3nc(=O)c4ccccc4[nH]3)nc(C)c2c1 8694663 COGBXCSQGWUIQI-UHFFFAOYSA-N 317.352 3.227 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2n[nH]c3c2CCCC3)cc1 8743994 YGLJHWHTOAZKCZ-UHFFFAOYSA-N 312.417 3.387 0 40 DGAB COc1cccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c1 8768322 QFIOEILCPHUYPH-SFHVURJKSA-N 313.353 3.066 0 40 DGAB C[C@H](Nc1ccc(F)c(F)c1)C(=O)NCCc1cccs1 70817842 ZBCKJCFBZIDKIN-JTQLQIEISA-N 310.369 3.186 0 40 DGAB Cc1ccc(-c2snnc2C(=O)NCCc2ccccc2)cc1 71195335 ZVSKOOFNNMTHRM-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CC(C)C(=O)Nc1cccnc1Oc1ccc2c(c1)OCO2 71283420 CJJQBTIZTMDRPT-UHFFFAOYSA-N 300.314 3.197 0 40 DGAB Cn1ncc2c(Nc3ccccc3)nc(N3CCCCC3)nc21 9276253 JPEVAINPTVZWSQ-UHFFFAOYSA-N 308.389 3.097 0 40 DGAB O=C(Nc1cn[nH]c1)NC(c1cccs1)c1cccs1 71915856 ZJKICZFYMRZGEV-UHFFFAOYSA-N 304.400 3.444 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@@H]2C)c1 9457664 SPOSRXKOQMQOBV-PXAZEXFGSA-N 311.337 3.056 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CC(C2CC2)C2CC2)c1 71866039 YOIJWEFTGDLMAV-KRWDZBQOSA-N 315.461 3.399 0 40 DGAB CCO[C@H]1CCCN(C(=O)Cc2c(C)[nH]c3ccccc23)C1 71825616 XKOZRDXQPHOJGM-AWEZNQCLSA-N 300.402 3.046 0 40 DGAB C[C@@H](O)[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 89894291 SBMJQNFOMMSDDD-TZMCWYRMSA-N 304.365 3.074 0 40 DGAB CC(C)n1cnnc1SCC(=O)N1[C@H]2CCCC[C@H]2C[C@H]1C 72288446 YKSMUQPLUPKXJO-RDBSUJKOSA-N 322.478 3.131 0 40 DGAB Cc1cc(NC(=O)c2csnc2C)n(-c2ccccc2F)n1 97080391 CWBCTDLSBDZZKD-UHFFFAOYSA-N 316.361 3.337 0 40 DGAB Cc1noc(C)c1N(C)C(=O)c1cc(N(C)C)nc2ccccc12 97080112 IKRYHSYSVFPLBN-UHFFFAOYSA-N 324.384 3.182 0 40 DGAB c1cn(-c2ccc(CNc3ccnc4ccsc34)cn2)cn1 84428924 KDZRTEMVZACFOA-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB O=c1ccccn1CCCCN[C@H]1CCSc2ccccc21 95421233 VJXJYVDKRSWYBF-INIZCTEOSA-N 314.454 3.455 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2F)sc2nccn12 95435198 BYTLSINBJPRLKC-MRVPVSSYSA-N 321.352 3.473 0 40 DGAB CCn1c([C@H]2CCCN2c2ccnc(C)n2)nc2ccccc21 88736428 ZKDZHIYABIGTPI-MRXNPFEDSA-N 307.401 3.496 0 40 DGAB C[C@H](NCC1(N2CCCCC2)CCOCC1)c1cccs1 89594977 MHGYTMOEKBBKEB-HNNXBMFYSA-N 308.491 3.434 0 40 DGAB Cc1cccc([S@@](=O)Cc2cc(F)cc3c2OCOC3)c1 79106431 QPTBSDZIMYNQER-OAQYLSRUSA-N 306.358 3.308 0 40 DGAB COc1cc(NC(=O)c2cccc(N)c2)c(OC)cc1Cl 20193280 FTVNDQCZRQODCN-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB COc1ccc(Cl)cc1NC(=O)Nc1c(C)nn(C)c1C 27927219 MYCOBFAQPPBCLQ-UHFFFAOYSA-N 308.769 3.343 0 40 DGAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1cccc(F)c1 32913510 XSFUZOANZNABGE-UHFFFAOYSA-N 314.360 3.039 0 40 DGAB C[C@H](NC(=O)/C=C/c1cccnc1)c1cccc(-n2cccn2)c1 73205692 SHWJGMVNEXJUJC-HVHJFMEUSA-N 318.380 3.158 0 40 DGAB Cc1cc(Cl)c(C(=O)NC[C@@H](CC2CC2)C(=O)O)cc1C 563261871 JFHROVONBBPFFF-GFCCVEGCSA-N 309.793 3.188 0 40 DGAB CC(C)(C)c1nc(CSc2nnc(-c3ccco3)o2)no1 32778938 MVPWICMPCBVWPZ-UHFFFAOYSA-N 306.347 3.302 0 40 DGAB CCOc1ccc(CNC(=O)COc2ccc(CC)cc2)cc1 218955919 OMKZCZJKDSGCJX-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB CCOCCCNC(=O)c1cc(OC(C)C)c2ccoc2c1 72240186 YSWGNKUARNYXIY-UHFFFAOYSA-N 305.374 3.376 0 40 DGAB COCCN1CCC[C@@H](c2nccnc2-c2ccc(F)cc2)C1 72358494 XMQIUSLGMAQLHN-OAHLLOKOSA-N 315.392 3.109 0 40 DGAB COc1ccc(CN(C)C(=O)COc2cccc(C)c2C)cc1 49783160 MMDNGBANWRRUKS-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC 225456016 QBKDDXPEOFJKSP-CVEARBPZSA-N 318.461 3.161 0 40 DGAB CCc1ccccc1C[C@@H](Oc1cccc(OC)c1)C(=O)O 225040566 CQAURISWDVFOHD-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB CCOc1ccc(CNC(=S)Nc2ncccc2C)cc1 225432366 VGPXNVIYLIDYPE-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB COc1ccc(CCC(=O)N(C)C2CCCCC2)cc1OC 41777904 UACNKIVEVHGPBQ-UHFFFAOYSA-N 305.418 3.428 0 40 DGAB c1sc(N2CCCC2)nc1[C@H]1COCCN1C1CCCC1 96218046 QBPXQUJABIBWCP-OAHLLOKOSA-N 307.463 3.059 0 40 DGAB CSCc1ccccc1NC(=O)NC[C@@H]1CCC[C@H](O)C1 97376601 IXCGGJBICISREG-OCCSQVGLSA-N 308.447 3.222 0 40 DGAB CCc1nc([C@H](C)NCC(=O)N(C)c2ccccc2)cs1 97374506 BJCWTKAVHPITGM-LBPRGKRZSA-N 303.431 3.019 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2N[C@H]1CCc2[nH]ncc2C1 90456008 JPMPUHWZCBZPEI-WMLDXEAASA-N 309.413 3.303 0 40 DGAB Oc1cccc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)n1 585120250 BTPLTTPGEUBHDR-HNNXBMFYSA-N 322.368 3.174 0 40 DGAB Cc1ccc(N2CCC(C)(C(=O)Nc3ccccc3)CC2)nn1 257289602 PZJSTMOMZRILAJ-UHFFFAOYSA-N 310.401 3.030 0 40 DGAB COc1cc(C(=O)O)cc2c1O[C@](C)(Cc1ccc(F)cc1)C2 257207920 BJXVDICWTQJWRN-GOSISDBHSA-N 316.328 3.469 0 40 DGAB O=C(c1ccncc1)N1CCC[C@H](Cc2cnc3[nH]ccc3c2)C1 257328187 XENMIMLFARJKIP-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC1CCOCC1 298868364 PNZLGLXDZNWHTL-UHFFFAOYSA-N 320.389 3.166 0 40 DGAB O=C(NCC(O)(c1cccs1)c1cccs1)c1ccoc1 390829243 XRLTYXADAOEHBI-UHFFFAOYSA-N 319.407 3.069 0 40 DGAB O=C(Nc1ccc(NCCc2ccccc2)cc1)[C@H]1CCOC1 71890773 PZODMUNRWIHHSG-INIZCTEOSA-N 310.397 3.316 0 40 DGAB O=C(CCc1cccc(F)c1F)N1CC[C@@]2(O)CCCC[C@H]2C1 89768154 QTKIWXHHMBBEMF-KSSFIOAISA-N 323.383 3.051 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@@H](C)Cn1cncn1 95967511 IXFBHKAVRNKNLE-WDEREUQCSA-N 307.467 3.080 0 40 DGAB COc1cc([C@@H](O)C(Cl)(Cl)Cl)cc(OC)c1OC 162791 UHIXVEBOAYVCEH-SNVBAGLBSA-N 315.580 3.116 0 40 DGAB Cc1cc(C)c(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 4091255 FPASSOLRIIAFEB-AATRIKPKSA-N 316.382 3.128 0 40 DGAB O[C@@H](COc1ccc(Cl)cc1Cl)CN1CCCCC1 5018035 JQTXDVVWEIKREC-GFCCVEGCSA-N 304.217 3.219 0 40 DGAB Cc1ccc(CN(C)CC(=O)N[C@H](C)c2cccs2)cc1 12907257 CXCUJWUHTRCELL-CQSZACIVSA-N 302.443 3.366 0 40 DGAB Oc1cc(CSc2ccccn2)nn1-c1nc2ccccc2[nH]1 14607923 KCKKNPUQKGVMRL-UHFFFAOYSA-N 323.381 3.142 0 40 DGAB COc1cc([C@H]2CC(=O)c3ccccc3N2)cc(OC)c1OC 169965438 NHZCQZXZVZYDNB-CQSZACIVSA-N 313.353 3.452 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([S@](C)=O)cc1 205556131 HKCPXWRWRYTHDG-JKSBSHDWSA-N 313.422 3.475 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@@H](c4cc[nH]n4)C3)cc2c1 607853890 HQTGYQKJBCOKKG-CYBMUJFWSA-N 310.401 3.279 0 40 DGAB CCc1ccc(C(=O)OCC(=O)NCc2ccc(C)cc2)cc1 3449214 PDXFBFIVGAUOIH-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB Cc1ccc(CN2CCC(Oc3nc(C)cnc3C)CC2)cc1 2087137079 HUYMRJOAEBQGIO-UHFFFAOYSA-N 311.429 3.445 0 40 DGAB O=c1oc2cc(O)ccc2cc1-c1nc(-c2ccc(F)cc2)no1 9431151 UZONPFQHZQAKOR-UHFFFAOYSA-N 324.267 3.355 0 40 DGAB O=C(NCc1cncc(-c2ccco2)c1)NCc1cccs1 575619418 SSLRHEVZAAEZML-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB COC(=O)c1ccsc1NC(=O)c1c[nH]c2ccccc12 38828471 JYQSSCCCKGITSJ-UHFFFAOYSA-N 300.339 3.268 0 40 DGAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccc2nccnc2c1 87338 PYXWPLYBOVIMLX-LJQANCHMSA-N 316.364 3.327 0 40 DGAB Cc1csc2nc(COc3cccc(Cl)c3)cc(=O)n12 11298659 NTWUUVSXARUIGY-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)C(=O)NC1CCCCC1 2494700 SVERDKKRVZJZST-UHFFFAOYSA-N 314.307 3.093 0 40 DGAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 29484056 LJTNXNPPZOOYGJ-QGZVFWFLSA-N 305.381 3.042 0 40 DGAB Cc1ccc(NC(=O)CN(C)CCOc2cccc(C)c2)cc1 7490228 NIBAORRNDISDGQ-UHFFFAOYSA-N 312.413 3.253 0 40 DGAB CC(C)c1noc([C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 29659345 WKLGGUZHODEYKK-SWLSCSKDSA-N 319.380 3.467 0 40 DGAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1F 101276431 VUWBUFCVDKSKHK-CYBMUJFWSA-N 318.735 3.223 0 40 DGAB Cc1ccnc(N2C(=O)c3ccccc3[C@@]2(O)c2ccccc2)c1 8622552 FURIZLZJPQOSPM-FQEVSTJZSA-N 316.360 3.244 0 40 DGAB CN(C(=O)CSc1ccc2c(c1)OCCO2)c1ccccc1 2624711 XMJYRALEDVTLSN-UHFFFAOYSA-N 315.394 3.213 0 40 DGAB C[C@@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 477907 NQYANBYKISESBT-MRVPVSSYSA-N 320.439 3.286 0 40 DGAB CCCCCC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 29987108 HFXHIHXOIRIMFL-INIZCTEOSA-N 303.381 3.345 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NCC1CCCCC1 32999421 XDYMGJWBKUYHAL-CQSZACIVSA-N 310.438 3.082 0 40 DGAB CCOc1ccc(/C=C2\N=C(c3ccco3)OC2=O)cc1OC 508274 JLIFSSHSDOOTNG-XFXZXTDPSA-N 313.309 3.031 0 40 DGAB O=C(NCCCCn1ccnc1)c1cc(Cl)ccc1Cl 41530228 KAQQVLMXZVUEOA-UHFFFAOYSA-N 312.200 3.400 0 40 DGAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@H]2CCC[C@H]21 53380530 PACBPVCFRSNFOX-OLZOCXBDSA-N 305.374 3.434 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccc(Br)o2)cn1 12483363 YGXULFNDLNZEOT-GQCTYLIASA-N 323.146 3.098 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1cccnc1 12551959 CXFDTACHOMCPER-LLVKDONJSA-N 319.202 3.264 0 40 DGAB CCc1ncc(CN(Cc2ccc(C)o2)C[C@H]2CCCO2)cn1 57811245 ZSCLIYFPLAJFJB-MRXNPFEDSA-N 315.417 3.122 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccsc1)CC(O)=N2 20722832 PTXSZZIBFXVKIO-NSHDSACASA-N 311.370 3.156 0 40 DGAB COc1ccccc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 105697366 JPONRDIGEBUFDY-ZQDZILKHSA-N 303.402 3.015 0 40 DGAB NC[C@@H]1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 22048561 LSQOUBKWMBDIPL-LLVKDONJSA-N 303.768 3.069 0 40 DGAB in-vitro Cc1cccc(N(C)C(=O)COC(=O)c2ccc(Cl)cc2)c1 51356255 ZKMOTFOBMTWUHP-UHFFFAOYSA-N 317.772 3.468 0 40 DGAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1cccc(-c2nnco2)c1 44087583 GJZIMSUEYNCWIW-RYUDHWBXSA-N 315.377 3.036 0 40 DGAB S=C(NC[C@H]1CCCO1)N1CCCCC[C@H]1c1ccncc1 44082706 LGHYCPMRIVJWCO-CVEARBPZSA-N 319.474 3.052 0 40 DGAB CCCN(C(=O)c1cnccn1)[C@@H]1C[C@H](OCC)C12CCCC2 76019347 RQUAUXRTKUOOQO-CVEARBPZSA-N 317.433 3.067 0 40 DGAB C[C@@H]1CCc2sc(C(=O)Nc3ccnc4ccnn34)cc2C1 76640923 AYHPEWDNEACEKH-SNVBAGLBSA-N 312.398 3.168 0 40 DGAB C[C@H]1CN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)C[C@@H](C)O1 27974695 TZNCEJBBJYGMSQ-QLFBSQMISA-N 313.397 3.243 0 40 DGAB CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@@H]1c1ccccc1 2082866 RNPGWBBDXQCZJX-OAHLLOKOSA-N 302.374 3.000 0 40 DGAB COc1ccccc1CN(C)C(=O)CSc1ccccc1 20490241 IUFWXPDOUNLQKA-UHFFFAOYSA-N 301.411 3.446 0 40 DGAB COCCOCCC(=O)N[C@H](C)c1ccc2ccccc2c1 58210715 VTLOCPNZWVXYIC-CQSZACIVSA-N 301.386 3.070 0 40 DGAB CCCOc1ccc([C@H](C)NC(=O)c2cc(C)no2)cc1OC 44953762 AJQBTTWSXOMUFX-LBPRGKRZSA-N 318.373 3.271 0 40 DGAB Cn1c2ccccc2c2ncn(CCc3ccc(F)cc3)c(=O)c21 2229482 YCPKDXJHGMYEOB-UHFFFAOYSA-N 321.355 3.270 0 40 DGAB CC(C)(C)C(=O)Nc1nnc(COc2ccc(F)cc2)s1 2398837 MDMCFDRPOVUEKA-UHFFFAOYSA-N 309.366 3.241 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCSc1ccccc1 24383398 MPEFIBQCROTOHY-CQSZACIVSA-N 301.411 3.362 0 40 DGAB Cn1cc(Nc2nc(-c3ccncc3)nc3ccccc23)cn1 48354225 UQYIUXZRQZDUCW-UHFFFAOYSA-N 302.341 3.169 0 40 DGAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(F)c1 48332662 SVHDNIQVGLIDPQ-LBPRGKRZSA-N 314.339 3.396 0 40 DGAB C[C@@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccn1 48375350 XXSABFUSFBPYRL-CYBMUJFWSA-N 316.368 3.384 0 40 DGAB CC(C)NC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O 3412144 RQSZBYNBKZTINW-UHFFFAOYSA-N 321.417 3.320 0 40 DGAB COc1ccc([C@H]2C[C@@H]2C(=O)N(Cc2cccnc2)C2CC2)cc1 69375856 KGMPNMWHRPVIMD-MOPGFXCFSA-N 322.408 3.385 0 40 DGAB CCc1ccc(CNC(=O)Nc2ccc(C(N)=O)c(C)c2)s1 65613664 AYBMRNTWNZTYIJ-UHFFFAOYSA-N 317.414 3.040 0 40 DGAB CCOCc1nnc(NC(=O)/C=C/c2ccc(Cl)cc2)s1 4722559 QAAPRDAITZCVPL-VMPITWQZSA-N 323.805 3.380 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)N(C)Cc2ccco2)cc1Cl 14933291 OLJXHJJKURHIPF-LLVKDONJSA-N 322.792 3.401 0 40 DGAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@H]1CCCO1 7080533 APRVHTVUYJROAN-CYBMUJFWSA-N 312.394 3.304 0 40 DGAB CCc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1OC 8714838 DQGHLUJGAAXZLX-DOMZBBRYSA-N 311.447 3.115 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1nc(C)cs1 8778595 UAGIDDVVUGHVOB-UHFFFAOYSA-N 300.387 3.002 0 40 DGAB CN(C)Cc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 8707931 MVQHIRNAFAMTRL-UHFFFAOYSA-N 316.832 3.374 0 40 DGAB O=C(CCc1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 9112457 RWVJRBUARKQWDX-UHFFFAOYSA-N 308.381 3.150 0 40 DGAB CSc1ccccc1NC(=O)CN(C)Cc1ncccc1C 93158685 LQAMRODBVPGWAD-UHFFFAOYSA-N 315.442 3.182 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCOc2ccccc21 9313709 AQYDYRXIDBGCKH-RHSMWYFYSA-N 322.408 3.078 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1ccccc1OC(F)F 9535562 MSRSGZJLDUZZOL-UHFFFAOYSA-N 321.279 3.327 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1C1CC1 72282705 SFNIHJBRGJSVGJ-CQSZACIVSA-N 312.417 3.183 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2ccn(-c3ccccc3)n2)c1 72269876 WUIGYUREZGSYMW-JKSUJKDBSA-N 309.417 3.117 0 40 DGAB C[C@H](CCc1cccc(F)c1)N1CCOC2(CCOCC2)C1 97084466 BKPOULDLTWHMEW-OAHLLOKOSA-N 307.409 3.028 0 40 DGAB Fc1cc(CN[C@@H]2CCCc3c[nH]nc32)ccc1OC(F)F 97021403 ZDDHCINHSHDGFP-GFCCVEGCSA-N 311.307 3.317 0 40 DGAB Cc1ccc(CNC(=O)c2c(C)noc2C)c(OCC2CC2)c1 87430100 BINUTINCUJPXID-UHFFFAOYSA-N 314.385 3.319 0 40 DGAB Cn1cc(CNc2nnc(C(C)(C)C)o2)c(-c2cccs2)n1 97114475 GZKMTCFNNYLNLD-UHFFFAOYSA-N 317.418 3.441 0 40 DGAB COc1cccc(CNc2ccccc2SCCC(N)=O)c1 95429045 RULJVZGWIWHSFL-UHFFFAOYSA-N 316.426 3.275 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@@H](C)OC2CCCCCC2)s1 95415244 KOVMGTDYYXCRJG-LLVKDONJSA-N 310.419 3.412 0 40 DGAB Cc1n[nH]c([C@H](NC(=O)[C@H](C)OC2CCCCCC2)C(C)C)n1 95415384 FIOOETZSNRSDGN-SWLSCSKDSA-N 322.453 3.054 0 40 DGAB COc1ncccc1N(C)C(=O)[C@H](C)O[C@H]1CCC[C@H](C)C1 95960616 RLAKSMUWHIRWKW-IHRRRGAJSA-N 306.406 3.037 0 40 DGAB Cc1nc2cc(N(C)C(=O)CCc3cncc(F)c3)ccc2[nH]1 95985925 GOPLUWUGQMSNHS-UHFFFAOYSA-N 312.348 3.001 0 40 DGAB CSC[C@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 74467377 MQZMGMWYKYVROE-ZETCQYMHSA-N 312.382 3.119 0 40 DGAB Cc1occc1CNS(=O)(=O)Cc1ccc(F)c(Cl)c1 89540720 DYPKWNPNQBAOPI-UHFFFAOYSA-N 317.769 3.000 0 40 DGAB Cc1ccc(SCC(=O)Nc2nnc(C3CC3)s2)cc1 21291684 GHVCGWQGERGGID-UHFFFAOYSA-N 305.428 3.455 0 40 DGAB Cc1ccc(F)cc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 79310430 LQNFMANFOLBUOZ-MRXNPFEDSA-N 314.360 3.355 0 40 DGAB Cc1[nH]nc(NC(=O)[C@@H]2CCCCO2)c1-c1ccc(F)cc1 530275394 BAWWMLOCLFCNSK-ZDUSSCGKSA-N 303.337 3.032 0 40 DGAB O=C(COc1ccc2nsnc2c1)Nc1c[nH]c2ccccc12 36740682 ADFDRUMPCSGNMC-UHFFFAOYSA-N 324.365 3.190 0 40 DGAB CC(C)Sc1ccc(CC(=O)N[C@H]2CCC[C@H](O)C2)cc1 75156782 ZEBMYBXNCGBZTH-GJZGRUSLSA-N 307.459 3.149 0 40 DGAB Cc1cc(=O)c(C(=O)N[C@H](c2cc3ccccc3o2)C2CC2)c[nH]1 73566560 ZQOAACGRJGTIRA-SFHVURJKSA-N 322.364 3.311 0 40 DGAB CC(=O)N1CCC(Cc2nccnc2-c2ccccc2F)CC1 72365825 QWBFYPCTWMMTHV-UHFFFAOYSA-N 313.376 3.084 0 40 DGAB CN(CCc1ccncc1)C[C@@H]1CCN(Cc2ccccc2)C1 76110167 WUHWNIFQFSHNLG-FQEVSTJZSA-N 309.457 3.078 0 40 DGAB NC(=S)Nc1cccc(NC(=O)c2cccc(Cl)c2)c1 72229799 URSSONYHRAFPAS-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB Cc1csc(C2(NC(=O)/C=C/c3ccncc3)CCCC2)n1 79034904 SEFSXZONPIHGTF-SNAWJCMRSA-N 313.426 3.445 0 40 DGAB CCCCNC(=O)NCc1nc(-c2ccc(OC)cc2)cs1 72264907 VWOHSGJWSVAYEM-UHFFFAOYSA-N 319.430 3.418 0 40 DGAB COc1ccccc1C[C@@H](C)CC(=O)NCc1ccc(C)nc1 78615814 GTWIPRXUZWFMCR-CQSZACIVSA-N 312.413 3.284 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2cccc(Cl)c2)CC1 73742916 IJADUIFJZDXDMY-UHFFFAOYSA-N 308.809 3.364 0 40 DGAB CSc1ccc(C(=O)NC(C)(C)C(=O)Nc2ccccc2)o1 78996518 JVIDKAISIWXYNT-UHFFFAOYSA-N 318.398 3.149 0 40 DGAB Cn1cnnc1CNc1nc(-c2ccccc2)nc2ccccc12 45726342 PEYHVLMSBIYSAG-UHFFFAOYSA-N 316.368 3.037 0 40 DGAB O=C(NCc1ccccc1-n1ccnc1)c1ccccc1Cl 44886199 NLSDQHSGQBINBR-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccncc3)N21 222650297 TZJNSLPGHMPJHY-NUEKZKHPSA-N 310.426 3.456 0 40 DGAB O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCO[C@@H](c2ccccc2)C1 195564866 ZPCDSGNLZOFZQL-BRWVUGGUSA-N 300.402 3.315 0 40 DGAB O=C(O)c1ccc(OCc2noc(-c3ccc(F)cc3)n2)cc1 226105962 JMPFUYVHOLLHTJ-UHFFFAOYSA-N 314.272 3.153 0 40 DGAB COCCC1(NC(=S)Nc2ccc(OC)cc2)CCCC1 225847417 OZWXYQPTVVMVAQ-UHFFFAOYSA-N 308.447 3.331 0 40 DGAB O=c1cc(C2CCC2)ncn1Cc1cc(-c2cccs2)on1 89703962 SFSNNQRKBRYTIA-UHFFFAOYSA-N 313.382 3.276 0 40 DGAB CCSc1cc(Cl)ccc1C(=O)N[C@H](C)c1ncon1 97378193 GPEYDRUBVJFRNU-MRVPVSSYSA-N 311.794 3.326 0 40 DGAB CC(C)(C(=O)NC[C@@H](O)c1ccccc1F)c1cccc(F)c1 96461809 OOPSMVZKODTYLK-MRXNPFEDSA-N 319.351 3.092 0 40 DGAB CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1 96435257 RAYZRZRBZLQQPU-ZDUSSCGKSA-N 306.406 3.100 0 40 DGAB c1coc(CNCc2csc(-c3ccc4c(c3)OCO4)n2)c1 96403959 SGSLSJQXXCYSME-UHFFFAOYSA-N 314.366 3.422 0 40 DGAB C[C@@H]1C[C@@H](C(=O)N2CCC[C@@H](n3ccnn3)CC2)CC(C)(C)C1 585131260 QHGHHWMCNZAFHP-BZUAXINKSA-N 318.465 3.294 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 257221005 DNDSRJARPXAFTJ-KRWDZBQOSA-N 307.401 3.337 0 40 DGAB Cc1c[nH]c([C@H]2CN(Cc3ccc(Cl)c(F)c3)CCO2)n1 257231359 GGINBEKOCOULQZ-CQSZACIVSA-N 309.772 3.084 0 40 DGAB CC[C@H]1C[C@H](Cc2nc(-c3ccccc3OC)no2)CCO1 252508974 XZUUOULDLXQVDP-OLZOCXBDSA-N 302.374 3.493 0 40 DGAB CN(Cc1ccc2cc[nH]c2c1)C(=O)c1cc(C2CC2)nn1C 828633682 QZTUTTFINNNPIG-UHFFFAOYSA-N 308.385 3.051 0 40 DGAB Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)c(C)s1 48707738 BPLMTFFYBNMIBA-UHFFFAOYSA-N 306.412 3.137 0 40 DGAB C[C@@H](Nc1ccncc1NC(=O)c1ccsc1)[C@@H]1CCCO1 75141627 BAFWQDYIKFDVEC-ABAIWWIYSA-N 317.414 3.375 0 40 DGAB CC(C)c1nc([C@H]2CCCN2c2ncnc3ccccc23)no1 75573019 GLKIMIDJDFEMSV-CQSZACIVSA-N 309.373 3.478 0 40 DGAB Cc1cncc(C(=O)N2CCC[C@H](n3cnc4ccccc43)C2)c1 80032700 NEIIKQGARSBUOJ-INIZCTEOSA-N 320.396 3.217 0 40 DGAB COC(=O)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(C)C 543038 CTQLMJQBLRBXMQ-NSHDSACASA-N 319.188 3.313 0 40 DGAB Cc1ncc(-c2ccncc2)c([C@@H]2CCCN(C(=O)C(C)C)C2)n1 12088588 SGHCELULSHJTIU-MRXNPFEDSA-N 324.428 3.209 0 40 DGAB CCc1nc2cc(NC(=O)CCCc3ccncc3)ccc2n1C 12143790 JJDVGMARYKGNDA-UHFFFAOYSA-N 322.412 3.492 0 40 DGAB C[C@H]1Cc2cc(CN(C)Cc3n[nH]c4c3CCCC4)ccc2O1 12147162 KBBWVRMCEDHYCT-ZDUSSCGKSA-N 311.429 3.244 0 40 DGAB O=c1oc2ccccc2n1[C@@H]1CCCN(Cc2cccs2)C1 12183916 WQLWTTFVLMBDGE-CYBMUJFWSA-N 314.410 3.493 0 40 DGAB Cc1ccc(OC(=O)CCS(=O)(=O)c2ccc(C)cc2)cc1 12847139 BJTKQYHHQLVRKG-UHFFFAOYSA-N 318.394 3.073 0 40 DGAB Cc1cnc(C(=O)N[C@H]2[C@@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19239009 WDQXDRVEKYNEHE-FPAYPSAMSA-N 321.424 3.487 0 40 DGAB c1ccc(CN2[C@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1 19371568 XPXCKISMLHBMSR-QFBILLFUSA-N 320.440 3.339 0 40 DGAB c1ccc(CN(Cc2ccnc(-c3cccnc3)n2)C2CC2)nc1 19401406 CYHKLNCMKYOCQQ-UHFFFAOYSA-N 317.396 3.098 0 40 DGAB Cn1c(SCc2nc(-c3ccsc3)no2)nnc1C1CC1 7172605 NGADRZNZIURILD-UHFFFAOYSA-N 319.415 3.096 0 40 DGAB COc1cc(C(=O)Nc2ccccc2O)ccc1OC(F)F 9478292 GULPUFUEWIKGGK-UHFFFAOYSA-N 309.268 3.255 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2nc3ccc(F)cc3o2)C1 1888904205 RKOXCKMYUAOFOY-CYBMUJFWSA-N 313.332 3.328 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)c2ccc(F)cc2)c1 1889138865 MPSUWBIIEUNPON-SJPCQFCGSA-N 313.376 3.339 0 40 DGAB C[C@]1(C(=O)Nc2cccc(Cn3ccnc3)c2)CC1(Cl)Cl 25263889 CUXKIEQIZFDUSG-CQSZACIVSA-N 324.211 3.454 0 40 DGAB CCCCNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 3019915 IXDMOEZBBURDML-UHFFFAOYSA-N 304.434 3.020 0 40 DGAB CCOC(=O)c1ccc(NC(=S)N2C[C@@H]3CC[C@H]2C3)cc1 15084226 YQTGXYFCOLKVSH-RISCZKNCSA-N 304.415 3.044 0 40 DGAB O=C(c1ccccc1)N1CCN(c2ccnc3ccccc23)CC1 352766564 XWEJGNSJKTWCQR-UHFFFAOYSA-N 317.392 3.197 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccc(C)s1)N2 30540868 XOUXUHDLECTJSP-HNNXBMFYSA-N 318.398 3.270 0 40 DGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 219752 SANZUEVXRMVMNJ-HOCLYGCPSA-N 314.429 3.045 0 40 DGAB Cc1ccc(F)c(NC(=O)NC[C@@H](O)c2ccccc2F)c1 40526371 QRFZUNSJMQOBII-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB COc1ccc([C@H](O)CNC(=O)Nc2ccc(C)c(C)c2)cc1 40525381 JGJFZZBMUVCSEP-QGZVFWFLSA-N 314.385 3.167 0 40 DGAB CN(C)c1cc(C(=O)N2CCC[C@H]2c2ccsc2)ccn1 40535824 MGLWPPGREKBCMM-AWEZNQCLSA-N 301.415 3.186 0 40 DGAB CC(C)c1ccc([C@H](O)Cn2c(CO)nc3ccccc32)cc1 51092879 NGVNPNICOUBAPQ-GOSISDBHSA-N 310.397 3.386 0 40 DGAB CC(C)c1ccc([C@@H]2CC(=O)c3cn4ncnc4nc3C2)cc1 20671685 KFLLGEHZKGWBKI-AWEZNQCLSA-N 306.369 3.160 0 40 DGAB Nc1nc(Cl)cc(N(Cc2ccco2)Cc2ccco2)n1 51649991 NUYZKCCGTMHRIN-UHFFFAOYSA-N 304.737 3.105 0 40 DGAB CCCc1n[nH]c(SCc2nc(-c3ccc(F)cc3)no2)n1 11467505 XVVBLFSVUGFCLD-UHFFFAOYSA-N 319.365 3.239 0 40 DGAB Cc1cccc(CNC(=O)[C@@]2(C)CC[C@@H](C(=O)O)C2(C)C)c1 6924229 FTOLYKSXUQMANK-KBXCAEBGSA-N 303.402 3.138 0 40 DGAB CCOC(=O)c1sc2nc(-c3ccccc3)[nH]c(=O)c2c1C 387983 CSMDFLQGWVXKTO-UHFFFAOYSA-N 314.366 3.137 0 40 DGAB CNC(=O)CSc1nc2ccccc2n1C1CCCCC1 10398268 OQVODJKLOYZKAF-UHFFFAOYSA-N 303.431 3.380 0 40 DGAB CCn1c(NC(=O)c2n[nH]c3ccccc23)nc2ccccc21 10652235 YYKSEQVVLZLDRE-UHFFFAOYSA-N 305.341 3.185 0 40 DGAB COc1ccccc1[C@H]1CCCN1C(=O)CCc1ccccn1 68804878 HSYFTZFNKSHWRN-QGZVFWFLSA-N 310.397 3.387 0 40 DGAB C[C@@H](c1ccccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 100191361 RJJBZKVBRLYUMB-GJZGRUSLSA-N 319.449 3.379 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCc2cccc(F)c21 32906855 VWKLUCKOHOGBMQ-CZUORRHYSA-N 304.409 3.273 0 40 DGAB Cc1ccnc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)c1 32912178 FBXBUYUGFWXVPD-UHFFFAOYSA-N 321.384 3.346 0 40 DGAB CCS(=O)(=O)c1ccc(C(=O)N(C)[C@@H]2CCCC[C@@H]2C)cc1 68986052 NKMBFBYZIBXXNX-XJKSGUPXSA-N 323.458 3.131 0 40 DGAB C/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(OC)cc12 22061644 DTEXULLZKFAGHZ-CKXMZTLZSA-N 324.424 3.317 0 40 DGAB in-vitro C[C@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 53698334 CTVMKEGZJPWURO-ZDUSSCGKSA-N 301.411 3.215 0 40 DGAB O=C(O)c1ccc(NC(=O)c2cccc3ccccc23)cc1O 20138915 GQACWRUGJVGGEC-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(F)c1 27978180 CWIOLLLWIOZCIX-CQSZACIVSA-N 317.316 3.351 0 40 DGAB O=C(NCc1ccoc1)NCc1cc(Br)cs1 47040496 MAVAALKHURMGCR-UHFFFAOYSA-N 315.192 3.103 0 40 DGAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2[nH]cnc2c1 23387068 RYZWYNLLSLDPCF-MNOVXSKESA-N 311.307 3.414 0 40 DGAB Cc1nn(CCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Cl 102599842 MZLJWZPEGTVBHN-SDJAHQOYSA-N 323.868 3.484 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CCCC2)s1)c1ccco1 23683265 DPGLCEZJNLYISW-UHFFFAOYSA-N 304.371 3.266 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1ccc(-c2cnco2)cc1 54777467 AJFACVXMIUTEGA-UHFFFAOYSA-N 308.337 3.319 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCC1CCN(C)CC1 176329826 PXSXWMIYKAZZMF-SFHVURJKSA-N 318.461 3.001 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccc(Cl)cc3)sc2C1 21294947 SITFQDMBIMGRDK-UHFFFAOYSA-N 321.833 3.427 0 40 DGAB CO[C@@H](CNC(=O)Nc1ccc(C(C)=O)cc1)c1ccccc1 25247981 LZKCYKVPFZQHIA-KRWDZBQOSA-N 312.369 3.398 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC[C@H](O)c2ccccc2)c1 26714743 BTBDSUYHJYCNJB-DYVFJYSZSA-N 301.386 3.088 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 27291668 CBLJFCGMZWATMQ-CYBMUJFWSA-N 323.396 3.230 0 40 DGAB O=C(Nc1nccn1Cc1ccccc1)c1ccc2nc[nH]c2c1 58157909 GDXFRDAANCPDQN-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)NCC2CCCCC2)c1C 3362896 MWWJSAFAUBJYDL-UHFFFAOYSA-N 306.406 3.118 0 40 DGAB CC(C)c1noc([C@H](C)Sc2nnc(-c3ccc[nH]3)o2)n1 12879197 QPIPTJLPPPJEDF-QMMMGPOBSA-N 305.363 3.424 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)c1cccc(C)c1 3442995 HIOMWPAIOOOFFZ-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(C)o2)cc1F 12932835 IFOBUEOXOFYERS-RMKNXTFCSA-N 303.333 3.408 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](CCNC(=O)C2CC=CC2)C1 77743110 INFIGICTLRBSPF-CQSZACIVSA-N 322.449 3.106 0 40 DGAB COc1cc(SC)ccc1C(=O)NCc1ccc(F)cc1 3613565 QTNIDLHGVIFDIN-UHFFFAOYSA-N 305.374 3.486 0 40 DGAB Cc1ccc(CNC(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 17069750 RDJHUTHKMJWLIW-ZDUSSCGKSA-N 300.324 3.479 0 40 DGAB CSc1ccc(/C=C/C(=O)NCC(C)(C)CN(C)C)cc1 6023066 OZYSFUWNRLLMJI-DHZHZOJOSA-N 306.475 3.126 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccc2c(c1)CCC2 5086410 QZLAYZRYGWTWFL-UHFFFAOYSA-N 323.392 3.208 0 40 DGAB CCOc1ccc(Cl)cc1S(=O)(=O)NCCC(C)C 408554101 BROYKJSCOKNDPI-UHFFFAOYSA-N 305.827 3.063 0 40 DGAB Cn1c(S)nnc1-c1cc2cc(Br)ccc2o1 6223856 AHXPDTHINWIPQP-UHFFFAOYSA-N 310.176 3.280 0 40 DGAB COc1ccc2c(C(=O)CN3C[C@@H](C)C[C@@H](C)C3)c[nH]c2c1 5217119 QQBAMSNLCIZFCT-BETUJISGSA-N 300.402 3.337 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(C)n1C(C)C 69571194 XQJJNEFLKFVWQZ-ROUUACIJSA-N 317.477 3.385 0 40 DGAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)CCc1ccco1 69515709 QMTQMTQALPWZQJ-CQSZACIVSA-N 300.402 3.026 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 69533131 WJUWXBXGWLBFEU-YGRLFVJLSA-N 303.362 3.055 0 40 DGAB CCc1ccc(NC(=O)c2cccc(CS(C)(=O)=O)c2)cc1 14182024 PKUPPUPJOFRCKK-UHFFFAOYSA-N 317.410 3.046 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)CCOc3ccccc3)ccc21 14159510 QIARORNOTVGQDG-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB CCOC(=O)c1cc(C)n(CC(=O)NC2CCCCCC2)c1C 6590043 LCLLYQUJBAMIMX-UHFFFAOYSA-N 320.433 3.121 0 40 DGAB CCOc1ccc(N[C@H](C)C(=O)N2CCc3ccccc32)cc1 6649672 GYGZAPQNPMEDNP-CQSZACIVSA-N 310.397 3.475 0 40 DGAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCc2ccccc21 15303979 RCZHMJKBCBKACV-HNNXBMFYSA-N 306.409 3.417 0 40 DGAB c1ccc(OCCn2ccnc2)c(NC2CCSCC2)c1 92158221 ILZHJJLEJBRNAD-UHFFFAOYSA-N 303.431 3.270 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)cc1 80343982 KDJGYIHQJLBFHN-ZDUSSCGKSA-N 322.430 3.244 0 40 DGAB CS[C@H](C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 70867999 CMTNIPOMTXEXBZ-SSDOTTSWSA-N 311.300 3.457 0 40 DGAB C[C@H](c1nc(-c2cccnc2)no1)N1CCOc2ccccc2C1 71904288 MDPXYHQRPPISDJ-CYBMUJFWSA-N 322.368 3.087 0 40 DGAB COCCCN1C(=O)S/C(=C/c2c[nH]c3ccccc23)C1=O 19881734 XWGYOEDQETWPDR-NTEUORMPSA-N 316.382 3.241 0 40 DGAB CN(C)C(=O)CCCCSc1ccc(C(F)(F)F)cn1 71882307 GWUBGCUDAOQLNP-UHFFFAOYSA-N 306.353 3.451 0 40 DGAB CC(C)n1cc(NC(=O)N2CCc3c(F)cc(F)cc3C2)cn1 89894044 FYSMNHBKELDOJG-UHFFFAOYSA-N 320.343 3.332 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)c3ccccn3)C2)n1 72282259 UQBIMRJOTFETPV-LBPRGKRZSA-N 301.415 3.120 0 40 DGAB Cc1cc(CN(C)[C@H](C)c2ccccn2)ccc1-n1cncn1 97058741 QIOJVQFEZJQFDR-OAHLLOKOSA-N 307.401 3.164 0 40 DGAB CC(C)Cn1ncnc1C[S@](=O)[C@@H]1CCc2c(F)cccc21 97047714 AMALVIRRLDWJMI-IVZQSRNASA-N 321.421 3.009 0 40 DGAB CC(C)c1ocnc1CN1CCC(c2nncn2C(C)C)CC1 97082873 MUBAPWFJYSEYPH-UHFFFAOYSA-N 317.437 3.350 0 40 DGAB CCOc1ccc(-c2[nH]ncc2C(=O)NC(C)C)cc1Cl 72329303 XEJIAAFXMIOWLX-UHFFFAOYSA-N 307.781 3.267 0 40 DGAB O=C(NCc1cc(F)cc(F)c1)c1cn[nH]c1-c1cccs1 72329453 KHLZVNIXUXBYMS-UHFFFAOYSA-N 319.336 3.346 0 40 DGAB COc1cc(F)c(C(=O)N(C[C@@H]2C[C@@H]2C)C(C)C)cc1OC 84688859 ZJDGNXVMVORLLZ-RYUDHWBXSA-N 309.381 3.350 0 40 DGAB COCCc1cc(NC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)n(C)n1 95439959 QWFUSKHPIJTQLA-RRFJBIMHSA-N 319.449 3.154 0 40 DGAB COc1cc(CN(C)Cc2cccnc2)c(SC)cc1OC 78869906 FPDSZLPABIHMQU-UHFFFAOYSA-N 318.442 3.453 0 40 DGAB CN(C(=O)CCc1nc(C2CC2)no1)C1CCCCCCC1 89334976 DVIRYYNTCXFBAR-UHFFFAOYSA-N 305.422 3.451 0 40 DGAB C[C@@H](NC1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 9911558 ZYUJRZPHATWBJV-GFCCVEGCSA-N 304.390 3.055 0 40 DGAB C[C@@H]1CN(C(=O)NCc2cnc3n2CCCC3)c2ccccc21 519453067 SBOWGTJSQDAWEB-CYBMUJFWSA-N 310.401 3.053 0 40 DGAB CCc1ccc2c(c1)CCN(C(=O)N[C@H](C)c1nccnc1C)C2 1521907333 QBPUJTZCIVUGII-CQSZACIVSA-N 324.428 3.176 0 40 DGAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)CCc2ccccn2)C1 78916818 JETUIAFHTPIGSK-MRXNPFEDSA-N 317.477 3.031 0 40 DGAB Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1CCCO[C@@H]1C(C)C 188954260 WGHMRWZVKFVCJJ-GDBMZVCRSA-N 322.449 3.363 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)[C@H]2CC=CCC2)cc1OC 74611459 WKQDMBCSFBFGOW-NEPJUHHUSA-N 307.365 3.376 0 40 DGAB Cc1cc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c(C)o1 70640485 MJPJUWXWSOXNGY-UHFFFAOYSA-N 320.776 3.113 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC1CCCCC1 33040064 IFKLINUSCMCBGC-CYBMUJFWSA-N 318.417 3.097 0 40 DGAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(F)c1 224959108 MCQMUQNMBBYZLN-CQSZACIVSA-N 312.388 3.397 0 40 DGAB Nc1ncnc2c1ncn2CCCSc1ccccc1Cl 88218532 XIOCLTWMGODGQJ-UHFFFAOYSA-N 319.821 3.244 0 40 DGAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 225618240 JECRNGWWJCZHAT-GOSISDBHSA-N 322.449 3.161 0 40 DGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)c(F)cc1F 84649900 AMDSYJCYNNDILQ-UHFFFAOYSA-N 309.337 3.025 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)c(N)c1 40295128 CDDNHFDZXPLMLD-NXEZZACHSA-N 311.223 3.434 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC 223236494 CBKLCQQCGWDGBS-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB CCOC(=O)c1csc(N(C)C(=O)CC2=CCCCC2)n1 96451949 JASWLOIKNBDCRX-UHFFFAOYSA-N 308.403 3.173 0 40 DGAB C[C@@H](CNC1CCN(C)CC1)c1cccc(Br)c1 96489057 SWYGZWAMYYFLNK-LBPRGKRZSA-N 311.267 3.236 0 40 DGAB Cc1ccnc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)c1 96192955 WYXYKZVOANLKGO-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C[C@@H](C)O1 96183947 IPZWMMWCCJZHGX-VXGBXAGGSA-N 319.332 3.460 0 40 DGAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1CC1CCC1 96208496 PCXSALKFZZOANS-CQSZACIVSA-N 312.417 3.034 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccc(Oc2cccc(F)c2)o1 96183930 YOLJDGRIGFLJLA-CYBMUJFWSA-N 305.305 3.120 0 40 DGAB OCc1cc(Br)c(Cl)c(Br)c1 97054165 YKDSANXMFFOBIO-UHFFFAOYSA-N 300.377 3.357 0 40 DGAB COCc1nc(C(=O)NC[C@@H](C)Sc2ccccc2)cs1 96431732 UHNRYWFMDWHITI-LLVKDONJSA-N 322.455 3.200 0 40 DGAB Cn1ccc2cc([C@@H](O)CNC(=O)Nc3cccs3)ccc21 252503506 VECUMLJGKRCMHB-AWEZNQCLSA-N 315.398 3.095 0 40 DGAB Cc1ncsc1-c1ncccc1C(=O)NCc1ccccc1 257237892 HISDZXZJNZSWNU-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB Cc1ncc(CN2CCC(C)(c3ncc(Cl)s3)CC2)cn1 257251847 JSMSFYRRKXKXIZ-UHFFFAOYSA-N 322.865 3.449 0 40 DGAB O=C(c1ncccc1Oc1ccccc1)N1CCc2cnccc21 252484722 GFQXFXRPOWSPOT-UHFFFAOYSA-N 317.348 3.472 0 40 DGAB CCCC1(O)CCN(C(=O)c2cc3cccc(OC)c3o2)CC1 585083303 PEWSFVHIRVEHFT-UHFFFAOYSA-N 317.385 3.209 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)/C=C/c1cccs1)OC 96384473 NEXGNQLFPMOLFI-ZNFPLGDCSA-N 317.410 3.274 0 40 DGAB CCn1c(SCCc2ccncc2)nnc1-c1ccncc1 61728471 WOEFZKYGUQOKJX-UHFFFAOYSA-N 311.414 3.090 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)Cc2ncc[nH]2)cc1 1540520004 BKSMULCUJGMUEC-INIZCTEOSA-N 313.401 3.105 0 40 DGAB Cc1cc(=O)[nH]c(-c2ccc(NC(=O)CC3CCCC3)cc2)n1 69534639 HQQDNSAOMGBLDE-UHFFFAOYSA-N 311.385 3.264 0 40 DGAB COC(=O)c1csc(NC(=O)N(C)CCc2cccs2)c1 89346490 DZOFDGQDXHYYLA-UHFFFAOYSA-N 324.427 3.303 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCCO[C@H]2CCC[C@@H]21 72286737 QFHDGWITZYSIFQ-HOTGVXAUSA-N 312.369 3.125 0 40 DGAB O=C(NCCCOc1ccc(F)cc1)c1ccncc1Cl 73056304 KHTWLEJOFGECQH-UHFFFAOYSA-N 308.740 3.073 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@H](c2n[nH]c3ncccc23)C1 13266714 ZKXJHGRNGXKUHX-KBPBESRZSA-N 310.401 3.020 0 40 DGAB COC(=O)c1cc(Br)c(C)cc1Br 14982594 BITCLLVCMAMAMA-UHFFFAOYSA-N 307.969 3.307 0 40 DGAB COc1ccccc1Nc1cc(C)nc2nc(-c3ccco3)nn12 15780301 CXGZZFCILHGAFS-UHFFFAOYSA-N 321.340 3.445 0 40 DGAB Nc1nc(N)c2ccc(-c3ccc(Cl)c(Cl)c3)nc2n1 16385998 YLTSIGKKTKWYHM-UHFFFAOYSA-N 306.156 3.163 0 40 DGAB Clc1cc(N2CCOCC2)nc(SCc2ccccc2)n1 16844254 PJCFRBVYHUVPEB-UHFFFAOYSA-N 321.833 3.259 0 40 DGAB COc1cc(OC)c(/C=C(\C)[N+](=O)[O-])cc1Br 17062796 XWABUAXWCXXWQE-QPJJXVBHSA-N 302.124 3.104 0 40 DGAB Cc1ccc([C@]2(O)CC[C@H]3CN(C[C@H]4CC=CCC4)C[C@H]32)nc1 19215962 ODRJXSCURGGIED-GNBUJSLZSA-N 312.457 3.276 0 40 DGAB CO[C@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccccc1F 643913815 IJOHJMVRAZNTTP-PBHICJAKSA-N 320.433 3.362 0 40 DGAB c1ccc(CCN2CCC(n3cnc4cccnc43)CC2)cc1 12114638 NAHLCZMSNHAGFN-UHFFFAOYSA-N 306.413 3.311 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2F)N1 34925784 ZZOFBVFNKMNPIE-DLBZAZTESA-N 324.355 3.084 0 40 DGAB in-vitro COc1ccc(OCC(=O)NCC(C)(C)c2ccsc2)cc1 1888921842 OFKOHOCDKWRPIQ-UHFFFAOYSA-N 319.426 3.230 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@H]2CCCOC2)CC1 1848574223 GXQFDHXJCRFXAN-OAHLLOKOSA-N 324.852 3.252 0 40 DGAB C[C@H](OC(=O)c1cc(Cl)cn1C)c1nc(-c2ccco2)no1 30746498 LAKDSOIAZPWAOG-QMMMGPOBSA-N 321.720 3.240 0 40 DGAB CCCSc1nnc(NC(=O)c2cccc(OC)c2)s1 4086613 ZKTYSTKTWITXPH-UHFFFAOYSA-N 309.416 3.301 0 40 DGAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccccc1 4632164 MGVLFSSPZRTLGU-QGZVFWFLSA-N 318.380 3.071 0 40 DGAB Cc1ccc(OCCNC(=O)c2cc3ccccc3n2C)cc1 4709651 PNTXHAVUNATFCB-UHFFFAOYSA-N 308.381 3.296 0 40 DGAB O=C(NCC1CCN(c2ccccn2)CC1)Nc1ccccc1 43976389 ZWKPWDWAYYRACV-UHFFFAOYSA-N 310.401 3.120 0 40 DGAB C[C@@H](Cc1ccoc1)NC(=O)c1cc(Br)cs1 206718440 RGNBHAUIMJQAFX-QMMMGPOBSA-N 314.204 3.465 0 40 DGAB Brc1cccc(CN2CCCN3CCC[C@@H]3C2)c1 50033452 GZXJILPBTBJPID-OAHLLOKOSA-N 309.251 3.119 0 40 DGAB COc1ccc(NC(=O)N(C)Cc2ccc(Cl)s2)cn1 40038953 KKUILSFAKRUXLS-UHFFFAOYSA-N 311.794 3.469 0 40 DGAB CNc1snc(C)c1C(=O)N1CC=C(c2ccccc2)CC1 30811519 YTIHWMFIRZWPQX-UHFFFAOYSA-N 313.426 3.423 0 40 DGAB CCCC(=O)N(CC(C)C)c1nc(C)c(C(=O)OCC)s1 36613077 ZYUITWOUHWQCCT-UHFFFAOYSA-N 312.435 3.417 0 40 DGAB COc1cc(OC)c(N2C=CC(C)(C)NC2=S)cc1Cl 59124519 JOYQUYLUYNEUNL-UHFFFAOYSA-N 312.822 3.344 0 40 DGAB COc1ccccc1NC(=O)c1csc(-c2cccnc2)n1 29047966 PBCXCIIXLDABDM-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1cc(C(=O)N[C@@H](C)Cc2ccccc2)cc(Cl)n1 3166670 IOSXCLXBZVUHFK-NSHDSACASA-N 304.777 3.105 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)NCc2ccccc2F)c1 32487830 XSBVRNGDPLUAJP-ZDUSSCGKSA-N 317.360 3.056 0 40 DGAB COC(=O)c1c(C)[nH]c(-c2csc(N3CCCC3)n2)c1C 7643648 ZDRYEUJOKIYKHN-UHFFFAOYSA-N 305.403 3.142 0 40 DGAB COc1ccccc1NC(=O)c1nn(-c2ccccc2)cc1OC 9386556 QMTGQYGEBAPJMO-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc(-n3nc(C)cc3C)cc2)nc1 32931361 GFKIDICWUYDZCT-UHFFFAOYSA-N 320.396 3.374 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCCCCCC1 32968973 TYWVNBPNJVQXEW-CQSZACIVSA-N 310.438 3.179 0 40 DGAB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)N(C)c2ccccc2)c1C 21734565 VSIREWFUFUKEML-CQSZACIVSA-N 315.369 3.413 0 40 DGAB CCCc1nc([C@H](NC(=O)CC(C)C)c2ccccc2)no1 71914360 PLSPMGNDQRHNSE-MRXNPFEDSA-N 301.390 3.274 0 40 DGAB C[C@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(F)c(F)c1 71902633 OUCXLEAMPXWLTE-JTQLQIEISA-N 317.339 3.328 0 40 DGAB O=C(NCCc1ccc(O)cc1)c1ccc(-c2cnco2)cc1 54117827 GRXBAKBZLZQUAX-UHFFFAOYSA-N 308.337 3.020 0 40 DGAB Cc1ccc(CNC(=O)Nc2ccc3c(c2)CCO3)cc1F 23174794 MCBKEAVUSABQOC-UHFFFAOYSA-N 300.333 3.391 0 40 DGAB CCC1=Nc2c(cnn2-c2cccc(Cl)c2)C2=NCCCN12 12389107 BOOJGKKJOSMTNP-UHFFFAOYSA-N 313.792 3.432 0 40 DGAB COc1cccc(C(=O)NCc2ccccc2-n2ccnc2C)c1 20039143 UBRBGEASPJTGBQ-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB COCc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1 23889903 GTTHXEGGFKCNKN-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccccc2F)Cc2ccc(Cl)cc21 8020794 SLQLPDVWHUAAKS-AWEZNQCLSA-N 319.719 3.199 0 40 DGAB Cc1cc(CN(C)C(=O)c2csc(-c3cccs3)n2)no1 25137534 IVMJFIRPACOGQU-UHFFFAOYSA-N 319.411 3.440 0 40 DGAB CC(=O)N1CCc2cc(N[C@H](C)C(=O)Nc3ccccc3)ccc21 12561974 CJNSAXZKXNBCHG-CYBMUJFWSA-N 323.396 3.035 0 40 DGAB COc1cc(F)ccc1NC(=O)c1ccc(-n2ccnc2)cc1 25312771 JKZDOOIQKNPBAX-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 10287349 OKLBKFJMIWLRLG-LBPRGKRZSA-N 314.307 3.060 0 40 DGAB C[C@@H](C(=O)NCc1ccc(Cl)cc1)N1C[C@H](C)C[C@@H](C)C1 58271522 JMBFJQPPFXDILQ-MCIONIFRSA-N 308.853 3.323 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)C[C@H](C)c1ccc(F)cc1 58296936 HCSIIUGLBGZNIA-AWEZNQCLSA-N 317.408 3.490 0 40 DGAB CCc1noc(C)c1C(=O)N[C@@H](C)CCc1ccc(OC)cc1 58201934 RFUXABBUFMQNGH-LBPRGKRZSA-N 316.401 3.305 0 40 DGAB C[C@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1 12749721 KSFARFBSQAPFIU-OAHLLOKOSA-N 312.388 3.345 0 40 DGAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)Nc2nonc2C)c1 27664133 NNZVWBVDCQQYHJ-GFCCVEGCSA-N 303.362 3.216 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1ccccc1Cl 3402358 AVJUAEAYZNCWFO-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB O=C1CCc2cc(C(=O)OCc3nc4ccccc4o3)ccc2N1 12984420 NRWQQMKLTPLNTA-UHFFFAOYSA-N 322.320 3.070 0 40 DGAB CN(Cc1ccc(Cl)cc1)Cn1c(CO)nc2ccccc21 13072892 DMHRAWWBHFOMRP-UHFFFAOYSA-N 315.804 3.272 0 40 DGAB C[C@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC12CCNCC2 70254023 ZJXORVNBMHJCTO-TZMCWYRMSA-N 306.837 3.249 0 40 DGAB O=C(NCCc1ccccn1)NC1(c2ccc(F)cc2)CCC1 69454392 BKGWUKGDFSQLEQ-UHFFFAOYSA-N 313.376 3.142 0 40 DGAB CSCC[C@@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O 6357203 IKNZYRJATZFKEJ-WXRRBKDZSA-N 315.479 3.161 0 40 DGAB Cn1cc([C@H]2CCCN2c2ccnc(-c3ccccc3)n2)cn1 69662876 AJAYUDZEZMOTGA-MRXNPFEDSA-N 305.385 3.219 0 40 DGAB O=C([C@@H]1Cc2ccccc2O1)N1CCC[C@H]1Cc1ccccc1 69899937 YKVPDYIYBWXHQA-HKUYNNGSSA-N 307.393 3.224 0 40 DGAB NC(=O)c1cccc(NC(=O)c2cccc(Cl)c2Cl)c1 9614063 SKAWXVKAQGGHMX-UHFFFAOYSA-N 309.152 3.345 0 40 DGAB Cc1nccn1-c1ncccc1NCc1cc(F)ccc1F 89735809 JEBMSAGSPCIGON-UHFFFAOYSA-N 300.312 3.466 0 40 DGAB Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccco1 71185051 NNHMRQZIKHQIFV-UHFFFAOYSA-N 311.385 3.453 0 40 DGAB Cc1cc(CN2CCN(Cc3cccc4ccccc34)CC2)no1 24984318 MOBQSUBNEJLMIY-UHFFFAOYSA-N 321.424 3.454 0 40 DGAB Cc1ccc(C[S@](=O)CC(=O)Nc2cccc(F)c2)cc1 71801208 LVLWQWPVBSNMRA-OAQYLSRUSA-N 305.374 3.022 0 40 DGAB CC[C@H]1Oc2cc(N)ccc2N(Cc2ccc(F)cc2)C1=O 19953832 QYUPDLLYVNNQCD-OAHLLOKOSA-N 300.333 3.112 0 40 DGAB C[C@@H](O)c1ccccc1NC(=O)c1cccc(-n2cccn2)c1 97046329 IVNRVEIBODDADK-CYBMUJFWSA-N 307.353 3.178 0 40 DGAB COCCC1(C(=O)N2CCC(OC(C)(C)C)CC2)CCCC1 84240870 JJBYPPAEDHAFHO-UHFFFAOYSA-N 311.466 3.389 0 40 DGAB NC(=O)c1csc(C(=O)N(CC2CCC2)c2ccccc2)c1 84373493 FVCGUECSNCKRFM-UHFFFAOYSA-N 314.410 3.294 0 40 DGAB COc1cc(CNc2ccccc2S(C)(=O)=O)ccc1C 77932835 RXMRUBJPYSJWCY-UHFFFAOYSA-N 305.399 3.019 0 40 DGAB Cc1ccc([C@@H](NC(=O)NCc2cnn(C)c2C)C(C)(C)C)o1 95443353 ZUWZYVQVVRHPCY-OAHLLOKOSA-N 318.421 3.217 0 40 DGAB COCCN(CC(F)F)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 78796645 SQYPXLFNHLLUCZ-QWHCGFSZSA-N 317.763 3.184 0 40 DGAB CCN(C(=O)c1cc(C)n(-c2ccc(F)cc2)n1)c1ccncc1 95991052 FDJDVQLVBIPIQP-UHFFFAOYSA-N 324.359 3.382 0 40 DGAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c1 95949679 KJIPXRVHODTXFI-INIZCTEOSA-N 324.380 3.056 0 40 DGAB Cc1n[nH]cc1CNC[C@@H](C)Oc1ccccc1Br 79014950 MQLASMJYJVGHDL-SNVBAGLBSA-N 324.222 3.038 0 40 DGAB Cc1nc(C(=O)Nc2cnn(C)c2)c(-c2cccc(F)c2)s1 79485830 VEADLCMUJXJGFW-UHFFFAOYSA-N 316.361 3.243 0 40 DGAB O=C(c1ccccc1OC(F)F)C(F)(F)Br 309581300 SKPYXCYUUDFRSM-UHFFFAOYSA-N 301.033 3.458 0 40 DGAB CN1CCC(NC(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 78578700 YQHXPDGVVYCBDB-HWKANZROSA-N 313.228 3.217 0 40 DGAB CCCCOc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 408709582 UKRURZUFLIYPTQ-UHFFFAOYSA-N 318.417 3.253 0 40 DGAB c1ccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)cc1 72369820 YIDVCSXXHXSMFX-INIZCTEOSA-N 306.369 3.121 0 40 DGAB Cc1cnn(C[C@H]2CN(C[C@H]3CCCC(C)(C)C3)CCO2)c1 539836271 XSOJVJKCCBRDGI-DLBZAZTESA-N 305.466 3.109 0 40 DGAB CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CC1CCCC1 32999618 BHPRRXBEGHXNKX-UHFFFAOYSA-N 324.371 3.332 0 40 DGAB CCCN(C(=O)[C@H](C)n1cncn1)c1cccc2ccccc12 79039961 AZRQLXMZKVKAHB-AWEZNQCLSA-N 308.385 3.436 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 74957507 QJBKZWGYJNZXTM-UHFFFAOYSA-N 322.368 3.092 0 40 DGAB O=C(CN1CCC[C@H]1Cc1ccccc1)NCCc1ccccc1 40040775 ALCYETYYRQTRMT-FQEVSTJZSA-N 322.452 3.052 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccc(F)cc2)C1 89223590 WRKFFLDTHRUFCE-AWEZNQCLSA-N 308.397 3.172 0 40 DGAB C[C@@H](CCNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 41341921 JGMYMWJGOKBFTN-AWEZNQCLSA-N 321.417 3.439 0 40 DGAB Cc1occc1SCc1nc2cc(F)ccc2n(C)c1=O 131468397 VLUCAULHKDEYNT-UHFFFAOYSA-N 304.346 3.266 0 40 DGAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)NC1CCCC1 227159502 IEKBPLJTOIGUOW-UHFFFAOYSA-N 313.401 3.089 0 40 DGAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(C(F)(F)F)cc1 75157758 JLLJNXBJQVRHEK-LBPRGKRZSA-N 303.324 3.232 0 40 DGAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 225318247 BDNYOLLAFKDRIG-UHFFFAOYSA-N 321.735 3.206 0 40 DGAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccn3C)N21 222704253 JFDTUXYKYFEBFE-APHBMKBZSA-N 312.442 3.400 0 40 DGAB Cn1nccc1CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 96404718 ILAVZCXMBOUKGY-OLZOCXBDSA-N 324.211 3.147 0 40 DGAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3ncc[nH]3)C2)cc1 96403938 IDACHFCIVHHYMB-HNNXBMFYSA-N 311.429 3.402 0 40 DGAB C[C@H](NS(=O)(=O)Cc1ccon1)c1csc2ccccc12 96427933 DLPSLOKTHXZPJW-JTQLQIEISA-N 322.411 3.070 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@@H]3C2)s1 96053794 VIGHMSDUAOAPSU-IYBDPMFKSA-N 313.470 3.015 0 40 DGAB O=C(Nc1nnc2n1CCCC2)c1c(Cl)cccc1Cl 97236506 SVBRFDBWSHIKNP-UHFFFAOYSA-N 311.172 3.174 0 40 DGAB C[C@@H]1c2ccccc2CN1C(=O)CCc1ccc(C(=O)O)cc1 579980251 QORAYGHERXWJLV-CYBMUJFWSA-N 309.365 3.421 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccc(Cl)c(F)c1 96486080 OYPDYTNKERXFRK-UHFFFAOYSA-N 323.799 3.410 0 40 DGAB COc1ccc(CN2CCC3(CC2)C(=O)Nc2ccccc23)cc1 96052477 OFULOBQQLZERHU-UHFFFAOYSA-N 322.408 3.181 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C1 236890560 BBAAIUQOKDURTP-BZUAXINKSA-N 306.475 3.209 0 40 DGAB O=C(c1cc2ccncc2s1)N1CCC(c2ncc[nH]2)CC1 582945054 QRTQBHYJUFZQOL-UHFFFAOYSA-N 312.398 3.039 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257259278 KXPSLPPXGOUFPV-CQSZACIVSA-N 309.369 3.402 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCC(=O)C[C@H]1c1ccccc1 585086106 SLHYPVFGSAIQIS-HNNXBMFYSA-N 316.788 3.225 0 40 DGAB Cc1cccc(CC(=O)NCc2ccnc(-c3ccncc3)c2)c1 390827057 SUVYAVMIGGLNGK-UHFFFAOYSA-N 317.392 3.311 0 40 DGAB COc1cccc2sc(NC(=O)OCC(F)(F)F)nc12 62149306 VMUQULNANLSGHL-UHFFFAOYSA-N 306.265 3.416 0 40 DGAB in-vitro COC(=O)c1cccc(C(=O)Nc2cccc([C@@H](C)OC)c2)c1 72087183 OWRGREUCELACSH-GFCCVEGCSA-N 313.353 3.433 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)CCc1ccc(F)cc1 79005316 CTMDRVQKPLFUQL-UHFFFAOYSA-N 311.307 3.009 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@H](C)NC[C@@]1(O)CCSC1 96479018 LEMPSHJCHZIEQG-BONVTDFDSA-N 314.520 3.268 0 40 DGAB O=C(NC/C=C\Br)N[C@@H]1CCCc2ccccc21 5065343 AZOOAXBXLUHOCJ-VVOKDJNJSA-N 309.207 3.272 0 40 DGAB O=C1c2ccccc2CCC1(Br)Br 5700587 XJUWICWPKZOCJP-UHFFFAOYSA-N 303.981 3.302 0 40 DGAB O=C(NC[C@H]1CCCN2CCCC[C@H]12)c1ccccc1Cl 5771685 ZZHFJTWJGFOXMO-CZUORRHYSA-N 306.837 3.334 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)COc1cccc(C)c1 5865853 LUKAOHVNTZQLGQ-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB COc1ccc(-c2cc(O)n(-c3nc4ccccc4o3)n2)cc1 14607840 IUGQRYFBCRTSBG-UHFFFAOYSA-N 307.309 3.395 0 40 DGAB Cc1cc(C)cc(OCCCn2ncc3ccccc3c2=O)c1 19296405 BIYMZUFXAPCPGK-UHFFFAOYSA-N 308.381 3.482 0 40 DGAB Cc1cc(NC(=O)c2ccc(F)c(C)n2)n(-c2ccccc2)n1 1888913998 VCJKLWAEINWLKZ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB O=C(Cc1cc(-c2cccs2)on1)NCc1cccs1 12422236 ARISAXCANJNVCB-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB O=C1Cc2cc(NC(=O)NCc3ccc(Cl)cc3)ccc2N1 22506481 RDNFHDKOBHXEKE-UHFFFAOYSA-N 315.760 3.156 0 40 DGAB CC1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 10383779 BHDZATDKILUROV-WFRNDULYSA-N 321.505 3.312 0 40 DGAB COc1ccc(NC(=O)CC(C)C)cc1OC[C@H]1CCCO1 40089028 ZMNBWSCUHKOLPE-CQSZACIVSA-N 307.390 3.238 0 40 DGAB C[C@@H](Cn1cccn1)NC(=O)Nc1ccc(Cl)c(Cl)c1 40086428 HQCBIOWGJQDJEH-VIFPVBQESA-N 313.188 3.400 0 40 DGAB O=C(NCCCn1cccn1)c1cc2c(s1)CCCCC2 30170372 BYLCHBGYRDANRH-UHFFFAOYSA-N 303.431 3.034 0 40 DGAB O=C(c1ccccc1Cl)N1CCN(Cc2ccccc2)CC1 20158845 YSBQFDDGKPHHSA-UHFFFAOYSA-N 314.816 3.298 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cccc(F)c2)c(OC)c1 147332 YJWYOMJHJUJFCH-VQHVLOKHSA-N 301.317 3.495 0 40 DGAB COc1ccc([C@H]2CC(=O)c3cc(OC)ccc3O2)c(OC)c1 57857 GLQDUOUZVYGIDH-GOSISDBHSA-N 314.337 3.419 0 40 DGAB biogenic O=C(OCc1ccccc1)[C@H]1CCCN1C(=O)c1cccs1 74202 BBHSFCJBRGSXFO-CQSZACIVSA-N 315.394 3.096 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)nc1 354392 JDROZUKINHSKGA-UHFFFAOYSA-N 304.415 3.488 0 40 DGAB CCc1noc(N)c1C(=O)Nc1cc(Cl)cc(Cl)c1 1235141 OPGQBONMWDHYJV-UHFFFAOYSA-N 300.145 3.378 0 40 DGAB CC(=O)CSc1nnc(-c2ccncc2)n1-c1ccccc1 1332890 CPWVXOLAGPTYIB-UHFFFAOYSA-N 310.382 3.010 0 40 DGAB Cc1ccc(NC(=O)OCc2ccccc2[S@@](C)=O)cc1 1397944 GUVWVEYWYFCOHD-NRFANRHFSA-N 303.383 3.481 0 40 DGAB Cc1cccc(C(=O)Nc2nnc(N3CCCCC3)s2)c1 1418536 UTHBFQDCCPCKSI-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB Cc1cc(C(O)(c2ccc(N)cc2)c2ccc(N)cc2)ccc1N 4707269 OYHZNLZYIRSDHN-UHFFFAOYSA-N 319.408 3.026 0 40 DGAB Cc1ccc(-n2nnnc2Cc2ccccc2F)cc1Cl 4728064 OEJLIZHPIQJUMA-UHFFFAOYSA-N 302.740 3.354 0 40 DGAB CN(C)C(=S)NC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2 4834357 VGEVIIULTXODPF-UHFFFAOYSA-N 308.491 3.336 0 40 DGAB CCn1c([C@@H](NC(=O)c2cccc(C)c2)C(C)C)n[nH]c1=S 5445076 NDJVEXCXKSSSOZ-ZDUSSCGKSA-N 318.446 3.396 0 40 DGAB Cc1ccc(OCCNC(=O)CCCOc2ccccc2)cc1 5814512 UCZDKBOWVLRAGF-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CCOC(=O)c1sc(CC(=O)Nc2ccc(C)cc2)nc1C 6671364 WBUSQUGVZGSEAD-UHFFFAOYSA-N 318.398 3.118 0 40 DGAB Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc(C)c1C 7238984 AUKAPCXEYQQCON-JRPNMDOOSA-N 321.490 3.435 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)c1ccc(Cl)s1 8134741 UTELJNCFTJPDTF-UHFFFAOYSA-N 319.817 3.490 0 40 DGAB O=C(COc1cccc[n+]1[O-])Nc1ccccc1-c1ccccc1 8223849 JMUVYHNWCUBGHU-UHFFFAOYSA-N 320.348 3.005 0 40 DGAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccncc1 8288180 ZGAIELHLGQWVLC-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 8333282 HBOROGHAXAZFBS-SWLSCSKDSA-N 302.418 3.245 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1ccc2c(c1)CCC2 8707822 XHRNQWJWEYVMTA-UHFFFAOYSA-N 322.408 3.264 0 40 DGAB CCCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1C 8714630 RGAVKFXLXKNDGW-UHFFFAOYSA-N 311.447 3.349 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 9154919 AVEWQCPXVINQOD-PBHICJAKSA-N 318.442 3.203 0 40 DGAB Cc1ccc(F)cc1C(=O)OCc1nc(N)c2ccccc2n1 9338975 RGSASRZIKVWORJ-UHFFFAOYSA-N 311.316 3.017 0 40 DGAB O=C(Cc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 9421562 QHHNVVWRAICPDZ-KRWDZBQOSA-N 305.381 3.469 0 40 DGAB O=C(COc1cccc(F)c1)N1CCc2[nH]c3ccccc3c2C1 9900166 WSXQFNGGCOBYGR-UHFFFAOYSA-N 324.355 3.271 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cccs1)c1ccccc1Cl 11089081 RHVNVIWGVYBNRC-LBPRGKRZSA-N 323.801 3.436 0 40 DGAB O=C(NCc1cc(-c2ccc(F)cc2)on1)c1cccs1 11613472 LRJVAHLAHYSDST-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB CC[C@@H](NC(=O)C1Oc2ccccc2O1)c1ccc(F)cc1 12199850 JELMGOWLEKEQMX-CYBMUJFWSA-N 301.317 3.191 0 40 DGAB CCOc1cc(Nc2ccc(NC(=O)CC)cc2)nc(C)n1 12225344 GETMBXAKQLSOAQ-UHFFFAOYSA-N 300.362 3.276 0 40 DGAB CC(C)n1ncc2cc(NC(=O)c3n[nH]c4ccccc34)cnc21 12580712 NXNYUNSIPHVCST-UHFFFAOYSA-N 320.356 3.141 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc3cc[nH]c3c2)C1=O 13577280 VYKHTIXQICYZJZ-INIZCTEOSA-N 319.364 3.220 0 40 DGAB CC1(C)CCCN(Cc2nc(-c3cccnc3Cl)no2)C1 13992483 WCBAIVVZVRENCT-UHFFFAOYSA-N 306.797 3.407 0 40 DGAB COc1ccc(C(=O)OCc2nc3ccccc3o2)c(OC)c1 14242749 IEZOASDYTXSTCX-UHFFFAOYSA-N 313.309 3.202 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 15695731 AMJHAMIDHZLORV-JTQLQIEISA-N 318.323 3.414 0 40 DGAB COc1ccc([C@H]2CCCN2S(=O)(=O)c2cccs2)cc1 16091118 ORQXRZMFKIEOQJ-CQSZACIVSA-N 323.439 3.283 0 40 DGAB CN1CCc2nc(NC(=O)c3ccc(Cl)s3)sc2C1 16916239 GFWQKKLIOMJWEC-UHFFFAOYSA-N 313.835 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314.366 3.263 0 40 DGAB aggregator O=C(NCCOc1ccccc1)c1cc(-c2ccccc2)on1 29224865 CYGKIEBQNRFIPY-UHFFFAOYSA-N 308.337 3.150 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1F 4484188 YYPLWXHRNBTGAZ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CN(CCCc1nc2ccccc2[nH]1)C(=O)C1[C@H]2CCCC[C@H]12 101401754 UZNNNMOGWXRGAR-KBPBESRZSA-N 311.429 3.390 0 40 DGAB CCOC(=O)c1cnc(C)nc1-c1ccccc1Br 8700128 KQUNJRBKUQPTPM-UHFFFAOYSA-N 321.174 3.391 0 40 DGAB C[C@@H](OC(=O)c1cccc(S(C)(=O)=O)c1)c1ccc(F)cc1 32721607 BFQXGNCFXKFQOF-LLVKDONJSA-N 322.357 3.147 0 40 DGAB CC(C)C[C@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 32779350 APICCHLCKMNZAZ-VIFPVBQESA-N 301.316 3.014 0 40 DGAB C[C@H](Sc1nnnn1C(C)(C)C)C(=O)c1cccc(Cl)c1 32823838 MOCNKVHRUYEOOW-VIFPVBQESA-N 324.837 3.445 0 40 DGAB Cc1cc2nn(CN(C3CCCC3)C3CC3)c(=S)n2c(C)n1 32923217 WXUHDOAGTFTLJW-UHFFFAOYSA-N 317.462 3.242 0 40 DGAB CSc1cccc(NC(=O)CCC(=O)Nc2nccs2)c1 32916111 NWQXROMDHXUIPF-UHFFFAOYSA-N 321.427 3.222 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)OCCn1cccn1 52766124 XOSARCUBBJQQNX-UHFFFAOYSA-N 319.411 3.234 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CC1)c1cccc(Cl)c1 11901483 GPHQNHGEZDFKIM-UHFFFAOYSA-N 321.829 3.350 0 40 DGAB O=C(Nc1nc2c(s1)CCCCC2)[C@@H]1Cc2ccccc2O1 21902304 VPCAETIGKFCEEZ-AWEZNQCLSA-N 314.410 3.354 0 40 DGAB O=c1n(CCSc2ccc3ccccc3c2)nc2ccccn12 46581520 AZWXWXYULVHYTO-UHFFFAOYSA-N 321.405 3.442 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccc(C)cc3)ccc2=O)cc1 12063016 CBXIKQZHMHDLRH-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)CCn1ccc2ccccc21 41677405 PYDDEQNREPJZAD-UHFFFAOYSA-N 308.381 3.396 0 40 DGAB Cc1ccc(Cl)c(OCn2ccc(C(=O)N3CCCC3)n2)c1 2798061 SJMDFRHKRVRECQ-UHFFFAOYSA-N 319.792 3.117 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108860286 LNDBOYAKFWSGQU-VGWMRTNUSA-N 317.429 3.405 0 40 DGAB C[C@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccccn1 46740232 AJTYTSFSVPEWIK-LBPRGKRZSA-N 304.777 3.381 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831789 BTIIZGYDRCRTFM-VXIBKDFQSA-N 309.494 3.311 0 40 DGAB Cn1cc(CCNC(=O)c2cc3c(s2)CCCCCC3)cn1 42716986 OHHHZHQSUBGRMN-UHFFFAOYSA-N 317.458 3.113 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1C[C@@H](C)O[C@H](C)C1 46961507 NXVYJFZOMKUYFI-NFAWXSAZSA-N 320.433 3.420 0 40 DGAB COc1cccc(CNC(=O)CNc2cccc3c2CCCC3)c1 24040368 XLGVABBCIIIVQA-UHFFFAOYSA-N 324.424 3.302 0 40 DGAB O=C(C[C@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 47090581 AONIJDPTVIKJKY-UONOGXRCSA-N 314.385 3.103 0 40 DGAB C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@@H]1C[C@H]2CC[C@H]1C2 105764785 VGONDMIXYVHBEN-YECZKDOJSA-N 300.446 3.230 0 40 DGAB CC(C)c1cc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)on1 105921724 LVHSRVCYXIHMCC-RWMBFGLXSA-N 320.389 3.106 0 40 DGAB O=C(Nc1nc2ccc(F)cc2s1)c1cn2ccccc2n1 24763449 HDLBCRFDXWESQF-UHFFFAOYSA-N 312.329 3.335 0 40 DGAB O=C(N[C@H](CO)Cc1ccccc1)c1ccc(Cl)c(Cl)c1 1393016 TUYURIULRKRTJM-ZDUSSCGKSA-N 324.207 3.327 0 40 DGAB Cc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccc1)C3 55393827 KFVKDLOVPSVYAA-UHFFFAOYSA-N 307.349 3.454 0 40 DGAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cnnn2)c(C)c1 47381998 HWZHWCNNCGECPZ-UHFFFAOYSA-N 321.384 3.094 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)cn1 12522993 KPBRYEDWZPXXRQ-UHFFFAOYSA-N 324.380 3.181 0 40 DGAB Cc1cc(O)c(NC(=S)NC(=O)c2cccc(F)c2)cc1C 21596221 HVDROEZZQLXKRJ-UHFFFAOYSA-N 318.373 3.275 0 40 DGAB CCCCNS(=O)(=O)c1ccc(N2C[C@@H](C)C[C@H](C)C2)cc1 1805456 PAFJCHUTHMDFCK-GJZGRUSLSA-N 324.490 3.247 0 40 DGAB c1ccc(Cn2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 27223076 BOWNJPIETUBGAP-IBGZPJMESA-N 318.424 3.494 0 40 DGAB CC(=O)Nc1ccc(-c2csc(-c3cnccn3)n2)c(F)c1 58168697 HHTOVZCTWZSTJO-UHFFFAOYSA-N 314.345 3.365 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 44888982 ITPNSMADMGBOGX-GOEBONIOSA-N 313.397 3.478 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)/C=C/c1cnn(C)c1 44873456 KVBSFRPFCGRDOX-NNTXTVRGSA-N 301.415 3.031 0 40 DGAB COc1cccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)c1 10228871 ITXBDYMDBXJUTJ-SFHVURJKSA-N 310.397 3.131 0 40 DGAB CCN(Cc1ccco1)C(=O)Nc1ccc(N2CCCC2)nc1 48087074 QGUIDEPSGOWGSD-UHFFFAOYSA-N 314.389 3.329 0 40 DGAB O=C(/C=C/c1ccc(C(F)(F)F)cc1)OCC(=O)c1ccc[nH]1 3376924 ZCTXKILHSUCMSC-VMPITWQZSA-N 323.270 3.473 0 40 DGAB COc1ccc(Oc2cc(C(F)(F)F)nc(N(C)C)n2)cc1 3469926 JYUQQNLQPMXQTG-UHFFFAOYSA-N 313.279 3.362 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(F)cc(F)c1 16129656 AGTXSWSTZJCPAS-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB CCc1ccccc1NC(=O)CCCNC(=O)c1ccsc1 12977059 BJSRMRNRCFCFJT-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2cc(C)sc2C)C1 69559536 HTXARCBNBRFTMN-CQSZACIVSA-N 322.474 3.133 0 40 DGAB COc1ccccc1Nc1ncccc1C(=O)N[C@@H](C)C1CC1 8192132 MUDYZRPARFLXEC-LBPRGKRZSA-N 311.385 3.362 0 40 DGAB CN(C(=O)Nc1ccc(F)cc1)[C@H](CO)c1cccc(F)c1 65521725 SBOBLKLDWYYPIK-OAHLLOKOSA-N 306.312 3.162 0 40 DGAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1ccc(F)cc1F 66091693 BTRAQLXTTBNMCM-SSDOTTSWSA-N 310.281 3.243 0 40 DGAB CCc1c(C)nc(Nc2nc(C)c3cc(C)c(C)cc3n2)[nH]c1=O 18153352 WMCDHPRFLBBZRX-UHFFFAOYSA-N 323.400 3.253 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1cccc2cccnc12 69929855 GPJHKHZOWNTIST-RBUKOAKNSA-N 323.440 3.210 0 40 DGAB CCOc1ccc(C(=O)Nc2nonc2-c2ccccc2)cc1 8868607 MZUAATAQFGBWBF-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2sccc2C)c1 8944521 YPMLTSGYRZAFIO-UHFFFAOYSA-N 316.426 3.384 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NCc1cccnc1 9423594 NPWRAQPUGVMIQM-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CCc1cc(CNC(=O)N[C@@H](CC)Cc2ccccc2)on1 96421517 MMYQLQBOGJZESD-AWEZNQCLSA-N 301.390 3.058 0 40 DGAB Cc1nc(C)c(CCNC(=O)N[C@H](C)Cc2ccsc2)s1 71888445 VQCTWSGTCLHDKX-SNVBAGLBSA-N 323.487 3.294 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)n[nH]1 71830788 SFRVXEULJQVQCN-QLFBSQMISA-N 318.465 3.011 0 40 DGAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCc1cccs1 72268638 XAXNDIMJIMNTIS-HZPDHXFCSA-N 306.475 3.156 0 40 DGAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)CC1=CCCCC1 72286748 YJYNQQZYZXTBNO-UHFFFAOYSA-N 321.442 3.369 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1ccc(OC)c(F)c1 72298377 YQUCCBDBKZUHQS-OAHLLOKOSA-N 303.381 3.218 0 40 DGAB Cc1nc(CN(C)C(=O)Nc2sc(C)nc2CC(C)C)no1 97080892 BDHMIXLFQMAGIB-UHFFFAOYSA-N 323.422 3.005 0 40 DGAB COc1ccc([C@H](C)NCc2cnn(C)c2)c(Br)c1 97034453 MCBZSHZAHSQCGX-JTQLQIEISA-N 324.222 3.042 0 40 DGAB CCCOc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1 72331710 SJIATVMSXZVFCE-UHFFFAOYSA-N 323.396 3.292 0 40 DGAB CC[C@H](C)c1csc(NC(=O)N(C)Cc2cnccn2)n1 84726938 HJCGRXZQLPIHJF-JTQLQIEISA-N 305.407 3.111 0 40 DGAB CCCC(CCC)C(=O)Nc1cccc(Cn2cnnc2)c1 95973405 TYDZVDPQWWPXDA-UHFFFAOYSA-N 300.406 3.481 0 40 DGAB CC(C)(C)SCCCC(=O)N1CC[C@]2(O)CCCC[C@H]2C1 95973783 ZDLZVRFXHFCUGL-WMLDXEAASA-N 313.507 3.452 0 40 DGAB Cc1csc([C@@H](N[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 95968560 CNBTYXXSNPEGOC-NEPJUHHUSA-N 319.396 3.129 0 40 DGAB CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 88620562 WWCUJYZLVBMRBV-XLIONFOSSA-N 321.424 3.127 0 40 DGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N1CCC(C(C)C)CC1 74675950 HZANYBZBGMTKCI-CYBMUJFWSA-N 320.481 3.046 0 40 DGAB CCCN1C(=O)S/C(=C\c2cc(C)n(CCOC)c2C)C1=O 409133151 MSUMNCUJBMQIDQ-UVTDQMKNSA-N 322.430 3.198 0 40 DGAB O=C(Cn1ccc2ccccc21)NCCc1c[nH]c2ccccc12 32124340 BVWJBTWPQAPDFX-UHFFFAOYSA-N 317.392 3.482 0 40 DGAB biogenic COC(=O)CNC(=O)c1sc2cccc(Cl)c2c1Cl 32610792 GBFOYLHPIRBVIC-UHFFFAOYSA-N 318.181 3.111 0 40 DGAB CCn1cc(-c2nnc(SCc3ccccc3)n2CC)cn1 32604334 HOOJPXWBJHWDLK-UHFFFAOYSA-N 313.430 3.474 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 31540012 ONVVZSHYQMOXLN-HAYXEUKTSA-N 304.430 3.138 0 40 DGAB O=C(NCC[C@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 77111089 NPVPMQKSSDWETH-LBPRGKRZSA-N 313.275 3.152 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(C)cc2N)cc1 216934558 TXYGRSVPUHBFJR-UHFFFAOYSA-N 310.806 3.340 0 40 DGAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1 72395095 XCVIBKWRVPGXRG-MAUKXSAKSA-N 300.402 3.493 0 40 DGAB N[C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 72227110 XSTYFAKLOQDJDA-ZIAGYGMSSA-N 306.287 3.121 0 40 DGAB c1ccc(COc2ccc(-c3nn4cnnc4s3)cc2)cc1 226298528 SAWSCNDMWYTMBK-UHFFFAOYSA-N 308.366 3.432 0 40 DGAB CN(Cc1cccn1C)C(=O)c1ccc2oc(Cl)nc2c1 225985057 VYTGEKIJZKHGOA-UHFFFAOYSA-N 303.749 3.092 0 40 DGAB O=C(CCc1cccs1)c1ccc(N2CCOCC2)cc1 199734451 JBSCUTZWLJJOGA-UHFFFAOYSA-N 301.411 3.400 0 40 DGAB O=C(c1ccc(Cl)cc1Cl)N1[C@H]2CCC[C@@H]1COC2 85471098 JJQNSHDZYIRDOH-PHIMTYICSA-N 300.185 3.387 0 40 DGAB COc1ccc(CC[S@@](=O)c2ccc(NC(C)=O)cc2)cc1 191174221 HCNDAUKWEXUYNK-JOCHJYFZSA-N 317.410 3.004 0 40 DGAB COCc1nc(C(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)cs1 96441272 PLOVYYXYKIUAJS-DGCLKSJQSA-N 320.414 3.496 0 40 DGAB CCCNC(=O)c1cc2c(s1)CCN2C(=O)c1ccccc1 96146782 AWBOUSNCINXEDE-UHFFFAOYSA-N 314.410 3.091 0 40 DGAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2cc(F)ccc2F)n1C 96423556 MHVQUBLHCOKAQK-DZGCQCFKSA-N 304.340 3.032 0 40 DGAB COC[C@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 247843880 LVSNKKGPEDRFRD-GOSISDBHSA-N 307.397 3.240 0 40 DGAB O=C(c1cnco1)N1CCC(Cc2cccc3cccnc23)CC1 257232956 GNCPNYKFLJENCT-UHFFFAOYSA-N 321.380 3.318 0 40 DGAB CCc1nsc(N2CCC(Oc3cncc(Cl)c3)CC2)n1 585092055 CSQWDHUKGLZUII-UHFFFAOYSA-N 324.837 3.197 0 40 DGAB COc1ccc(C)cc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@H]21 262048962 CRBAAXXEXWJXSY-IMJJTQAJSA-N 303.402 3.221 0 40 DGAB CCN(Cc1cnc2ccccn12)C(=O)NCc1cccs1 96025077 VUWHFNKXXRFMOZ-UHFFFAOYSA-N 314.414 3.128 0 40 DGAB CC(C)(C)OC(=O)NCc1nc([C@H]2CCCSCC2)no1 575415197 YQNFXWJCSKSFJG-JTQLQIEISA-N 313.423 3.095 0 40 DGAB CN(C(=O)c1ccc(OCc2nccn2C)cc1)C1CCCC1 55073796 RZLSOCFFYRQKML-UHFFFAOYSA-N 313.401 3.014 0 40 DGAB CCOC1CCN(C(=O)N[C@H](C)Cc2cccc(Cl)c2)CC1 50151469 XRMRAHNTISYESD-CYBMUJFWSA-N 324.852 3.482 0 40 DGAB CCc1ccc2c(c1)CCN(C(=O)N[C@@H](C)c1nccnc1C)C2 1521907331 QBPUJTZCIVUGII-AWEZNQCLSA-N 324.428 3.176 0 40 DGAB O=C(Nc1cccnc1)N1CCO[C@H](c2ccc(Cl)cc2)C1 56344225 KOPJRSHDHOARLM-HNNXBMFYSA-N 317.776 3.340 0 40 DGAB O=C(NCC1CCCCCCC1)c1ccnc(-n2ccnc2)c1 65801655 OOSQZLVEHAAADW-UHFFFAOYSA-N 312.417 3.358 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)NC12CC3CC(CC(C3)C1)C2 75166756 BGPFFOGYFDVBFW-IHWZXDPASA-N 302.418 3.479 0 40 DGAB CCN(CC)CCn1c(-c2ccccc2)nc2ccccc2c1=O 5311548 LSCJLRADBVRRPE-UHFFFAOYSA-N 321.424 3.405 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccco2)o1 12599555 BKVPUBPUTPNGRK-PHIMTYICSA-N 321.402 3.211 0 40 DGAB COc1ccc2c(c1)OCC/C2=C\CC1(C)C(=O)CCC1=O 16577140 NDMPBQAGAWZGKE-KPKJPENVSA-N 300.354 3.190 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@H]2C[C@@H]3C=C[C@@H]2C3)c2ccccc12 169680720 BVKKIUFWFPTIGS-BZUAXINKSA-N 322.408 3.172 0 40 DGAB CO[C@@H](CNC(=O)c1cccc(Br)c1)c1ccco1 206861182 DTAVOWGRJJWHRQ-ZDUSSCGKSA-N 324.174 3.160 0 40 DGAB COc1ccccc1CN(C)C(=O)NCc1ccccc1F 17117706 DGEUBXHOOSNLFU-UHFFFAOYSA-N 302.349 3.176 0 40 DGAB COCCn1cnc2c(Nc3ccc(Cl)c(F)c3)ncnc21 1888913828 PVHJDOVPIRKZOI-UHFFFAOYSA-N 321.743 3.009 0 40 DGAB Cc1n[nH]c(C)c1CCc1nc2c3ccccc3[nH]c(=S)n2n1 20643439 WZWIDDPFFNKVMF-UHFFFAOYSA-N 324.413 3.065 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc(N3CCCC3)n2)cc1 4331185 PLZKGTTYIJKABA-UHFFFAOYSA-N 324.432 3.124 0 40 DGAB CCOC(=O)c1c(C)nc(O)nc1SCc1cccc(F)c1 4317553 MCYBGAGQOBIDRP-UHFFFAOYSA-N 322.361 3.099 0 40 DGAB Cc1ccc2c(CC(=O)N3C[C@@H](C)C[C@H](C)C3)cc(=O)oc2c1 9704771 CXOVAQFVKHWYEF-KBPBESRZSA-N 313.397 3.148 0 40 DGAB CSc1ccccc1C(=O)NCC[C@@H](O)c1ccccc1 85436431 RLGSTMNPNVFLKZ-OAHLLOKOSA-N 301.411 3.262 0 40 DGAB O=C(O)[C@@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 40393659 IWKUICDSRFXKRI-JTQLQIEISA-N 303.145 3.074 0 40 DGAB Cc1nn(C)c(C)c1CN[C@H](c1ccccc1)c1ccccn1 40464607 MMRRJSLJVMRGJG-LJQANCHMSA-N 306.413 3.311 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Nc2cccc(C(F)(F)F)c2)no1 11039980 INQDZIZNVXHENO-SECBINFHSA-N 313.279 3.441 0 40 DGAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccccc1 819149 GWAJHOXYCWWLBA-UHFFFAOYSA-N 307.353 3.428 0 40 DGAB CCCCOc1ccc(C(=O)OC[C@H](CC)NCCC)cc1N 1661067 AXMDYMYZWTVDCF-HNNXBMFYSA-N 322.449 3.383 0 40 DGAB O=C(O)c1c(O)cc(=O)oc1-c1ccc(Cl)cc1Cl 1720845 WQCPXZBCEZGHGH-UHFFFAOYSA-N 301.081 3.017 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)s1 16015557 XDVSLQDIIUMWFV-UHFFFAOYSA-N 300.383 3.201 0 40 DGAB COc1cc(C(=O)OCc2ccc(C)cc2)cc(OC)c1OC 1961880 KFYNUIWRLVAPLB-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB CCCCNC(=O)CSc1ncnc2sc(C)c(C)c12 2614700 CYUFKMYPANZNGJ-UHFFFAOYSA-N 309.460 3.317 0 40 DGAB Cc1ccnc(NC(=S)NCCSc2ccccc2)c1 7367981 WIQNUMPPQVRETQ-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB COc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1OC 8085042 HXRJGQGPOPKPSF-UHFFFAOYSA-N 319.788 3.330 0 40 DGAB NC(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1 8122359 PFFCTEYIMKMVTA-UHFFFAOYSA-N 314.728 3.437 0 40 DGAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1 101275077 XWUPUPRKXOCHFK-AWEZNQCLSA-N 300.745 3.084 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccc(F)c1 32763331 XWKSZKCBEBWLMK-OAHLLOKOSA-N 318.417 3.454 0 40 DGAB COc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2F)cc1 32754235 JPKQREJULNAWEY-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB OC[C@H](Cc1ccccc1)NCc1ccccc1C(F)(F)F 24269359 VOXDILDMGONGDK-HNNXBMFYSA-N 309.331 3.399 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 41749158 JDJNMAQZHYYUJB-BETUJISGSA-N 307.438 3.194 0 40 DGAB Cc1cccc2nc(C(=O)Nc3ccccc3N3CCCC3)cn12 22741327 WOMNNDFFPANFBA-UHFFFAOYSA-N 320.396 3.495 0 40 DGAB COc1ccccc1C(=O)NCCCCN1C[C@H](C)C[C@@H](C)C1 47038413 WFWDFUMSNUIHJS-HZPDHXFCSA-N 318.461 3.183 0 40 DGAB CN(CC12CC3CC(CC(C3)C1)C2)c1cnn(C)c(=O)c1Cl 42676937 KVOYUVOFCNTLDT-UHFFFAOYSA-N 321.852 3.086 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)/C=C\c1cnn(C)c1 105678120 IDZURRKBJIOURY-PLNGDYQASA-N 305.765 3.042 0 40 DGAB C[C@@H]1COCCN1C(=O)CCC(=O)c1ccc2ccccc2c1 47508777 BHYMTNXASPTNSG-CQSZACIVSA-N 311.381 3.050 0 40 DGAB Cc1ccc(CC(=O)N2CCC(Cc3ccccc3)CC2)cn1 47608070 LVTKIRINQNLEPS-UHFFFAOYSA-N 308.425 3.414 0 40 DGAB O=C([C@H]1CCOc2ccccc21)N1CCCc2cccc(O)c21 107225321 WMGDDNGAEPCFRT-HNNXBMFYSA-N 309.365 3.238 0 40 DGAB CCN(C(=O)c1cnn2c(-c3ccccc3)ccnc12)C1CC1 56605084 QNXFSEHCPDTBSX-UHFFFAOYSA-N 306.369 3.021 0 40 DGAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 101276623 CBENURGEVBGGIR-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccc(Cn3cccn3)cc2)cc1 10641759 FALWMOFOSCKKRR-UHFFFAOYSA-N 319.364 3.386 0 40 DGAB CCCOc1ccc(C2=[N+]([O-])[C@](C)(CC)N(O)C2(C)C)cc1 7813434 HSFXFGVFVUCMRZ-KRWDZBQOSA-N 306.406 3.384 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C)c1 44871525 DBUVGQHKYFGJMV-ZDUSSCGKSA-N 300.406 3.093 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 10428789 PMSIHWKHXYYLJR-UHFFFAOYSA-N 324.380 3.326 0 40 DGAB Cc1cccc(CS(=O)(=O)N2CCCc3ccccc32)c1 10449625 HBICHTYHFHBIJQ-UHFFFAOYSA-N 301.411 3.278 0 40 DGAB O=C(CSC1=NCCS1)c1ccccc1Br 3299338 MBGSAOWTCJGVFZ-UHFFFAOYSA-N 316.245 3.468 0 40 DGAB O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H]1CCCO1 58428507 QOEOQJWLESVJBN-QGZVFWFLSA-N 321.380 3.025 0 40 DGAB CC[C@@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccccc1 58401560 LOTBKPCOHXFIPD-QGZVFWFLSA-N 320.396 3.459 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C)o1 7974857 AOPLHNQPCGVMQR-CYBMUJFWSA-N 302.374 3.056 0 40 DGAB O=C(COC(=O)c1cccc(Cl)c1Cl)NC1CCCC1 3319346 DPKJCYYRXOKBFP-UHFFFAOYSA-N 316.184 3.209 0 40 DGAB Cc1ccccc1CCNC(=O)c1ccc(C(F)(F)F)nc1O 12929462 QMGMWPQKJAZRSH-UHFFFAOYSA-N 324.302 3.087 0 40 DGAB CCCCN(C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C 12987510 PLWZWXOTIBRTBH-UHFFFAOYSA-N 302.422 3.272 0 40 DGAB Cc1nc2ccccc2n1CCC(=O)NCCc1ccccc1 5207427 XLFRSHPKIPDSIM-UHFFFAOYSA-N 307.397 3.094 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 14043501 HFAXNCUDBCCDKV-CABZTGNLSA-N 318.373 3.190 0 40 DGAB C[C@@H]1CCCCN1c1nc2sc3c(c2c2ncnn12)CCC3 5573843 QHRFDOBSRGOUOK-SNVBAGLBSA-N 313.430 3.207 0 40 DGAB Clc1ccc(N2CCC[C@@H](c3nncn3C3CC3)C2)nc1 91628085 YUMALZNTBKQXGZ-LLVKDONJSA-N 303.797 3.045 0 40 DGAB CN(C)[C@@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccs1 110516216 CAZNOBGEIPLBKJ-FQUUOJAGSA-N 323.531 3.004 0 40 DGAB Cn1cc([C@@H]2CCCN2c2ccnc(-c3ccccc3)n2)cn1 69662870 AJAYUDZEZMOTGA-INIZCTEOSA-N 305.385 3.219 0 40 DGAB CCN(CC)C(=O)c1c(C)nc2cc3c(cc2c1C)OCO3 6941560 CNKRDWUDNGIKGC-UHFFFAOYSA-N 300.358 3.062 0 40 DGAB O=C(Nc1ncccc1O)c1cc(-c2cccc(Cl)c2)n[nH]1 69896616 WKNFEHTYMCNIQL-UHFFFAOYSA-N 314.732 3.083 0 40 DGAB FC(F)(F)c1ccc(-n2cc(NCc3ncc[nH]3)cn2)cc1 92846202 JMYRWLAJDIQVOK-UHFFFAOYSA-N 307.279 3.226 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc21)c1cnc([C@@H]2CCCO2)s1 89759202 RYIWFXXYSDNATH-JSGCOSHPSA-N 314.410 3.064 0 40 DGAB COc1ccc(-c2c/c(=N\CC(=O)O)c3cc(C)ccc3o2)cc1 19792894 SKRFIOBMULIEEI-CAPFRKAQSA-N 323.348 3.402 0 40 DGAB CC(C)(C(=O)N1CCC[C@@H](c2ccn[nH]2)C1)c1cccs1 72285774 AARQMQQVMJOHMT-GFCCVEGCSA-N 303.431 3.155 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1cnn(C(C)(C)C)c1 72298459 OOYIGHQCFQCKBG-HNNXBMFYSA-N 301.438 3.022 0 40 DGAB Cc1cnn(C[C@@H](C)NCc2ncc(-c3ccc(F)cc3)o2)c1 71874829 XCHDGBAWOCDAEN-CYBMUJFWSA-N 314.364 3.164 0 40 DGAB CSCc1cccc(NC(=O)CNC(=O)OC(C)(C)C)c1 71890202 JINIECYDABZIQZ-UHFFFAOYSA-N 310.419 3.013 0 40 DGAB Cn1ncnc1CSCCOc1ccc(C(F)(F)F)cc1 97013197 LHZMEMJQZMLMOA-UHFFFAOYSA-N 317.336 3.146 0 40 DGAB CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([S@@](C)=O)c1 87303555 OOAGRFDZHKEXAE-ASSNKEHSSA-N 311.447 3.204 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)cc1F 97142974 SNANEXYXEXMQHC-MJEQTWJJSA-N 320.408 3.452 0 40 DGAB Cc1nc(C)c([C@H](C)NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)s1 97142548 ZLNQTDIVGCKTET-GDLCADMTSA-N 323.462 3.078 0 40 DGAB CC(C)Cc1ncc(CNc2ccc3c(c2)OCC(=O)N3)s1 97113764 BMNBRNRNBCBHPE-UHFFFAOYSA-N 317.414 3.285 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)nc2)c(Cl)c1 72330222 DTAGOSBUMNUAHM-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB O=[N+]([O-])c1cc(C(F)(F)F)cc([N+](=O)[O-])c1NN=C1CCC1 84335150 ZBKKYDFVQMJUAP-UHFFFAOYSA-N 318.211 3.474 0 40 DGAB C[C@@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCOCC1 75582481 ZMKYTNCLITUWEO-SNVBAGLBSA-N 318.200 3.010 0 40 DGAB CC[C@@H](CO)NC(=O)/C=C/c1sc2ccccc2c1Cl 95408979 OPYDCFKWRDLLDA-JARNTUPDSA-N 309.818 3.455 0 40 DGAB CCCC(=O)N1CCC(OC(=O)c2cnc(C(C)C)s2)CC1 95430939 UMOJGUVQUJGGCL-UHFFFAOYSA-N 324.446 3.214 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2sccc2C)c1 95422670 JZOIYJWOTDFDCW-BLLLJJGKSA-N 321.442 3.458 0 40 DGAB Cn1ncc2c(Nc3ncc(-c4ccccc4)s3)ncnc21 95434837 RFGZUQSXGVCNAJ-UHFFFAOYSA-N 308.370 3.230 0 40 DGAB Cc1nc(-c2ccccc2NC(=O)N2CCC[C@H](C)C2)no1 77678725 UBIGWNXYDHAADX-NSHDSACASA-N 300.362 3.309 0 40 DGAB O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@H]1CCCOC1 88262925 SBDISEIDECPEAX-FUHWJXTLSA-N 313.372 3.458 0 40 DGAB CCc1nn(C)cc1N[C@@H](C)C(=O)Nc1cc(C)ccc1C 95942179 NHVDBHVTRCNLAB-ZDUSSCGKSA-N 300.406 3.038 0 40 DGAB O=C(N[C@@H]1CCC[C@@H]1O)c1cc(-c2ccccn2)ccc1Cl 95974550 GHCSPGUAZJTTQT-CVEARBPZSA-N 316.788 3.045 0 40 DGAB CSc1ncccc1C(=O)Nc1ccc2c(c1)OC(F)(F)O2 9912411 HOVXMMWQSDIRDI-UHFFFAOYSA-N 324.308 3.377 0 40 DGAB CN(CC(=O)NC1CCCCCCC1)C(=O)Oc1ccccc1 408998740 BYIUJUNSWUSMGL-UHFFFAOYSA-N 318.417 3.346 0 40 DGAB Cc1nc(N)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218555 OIZQJWBMLJKTAY-INIZCTEOSA-N 311.385 3.446 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)OCc2nccs2)cc1 76875799 PWUDZWWAYKIBHO-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)cc1C 36635457 HIEHPDRJABNNHQ-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72228036 IZCKXAJNPAQZSN-HZPDHXFCSA-N 300.789 3.318 0 40 DGAB Cc1cccc(C)c1OC[C@H](O)CN1CC[C@H](CC2CC2)C1 559413422 BCRYYZKVEILMGK-QZTJIDSGSA-N 303.446 3.165 0 40 DGAB Cc1ccc(NC(=O)COc2c(C)cccc2C(=O)O)cc1C 217720635 VJLUHMSXIUMNJC-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC(C)(C)c1nc(CNc2nnc([C@H]3CCCO3)o2)cs1 181970249 GIXUXDZHAFDBAI-SNVBAGLBSA-N 308.407 3.287 0 40 DGAB CCn1cc(OCC(=O)Nc2ccccc2C(C)(C)C)cn1 225711438 MCJJXNJIDXNNSB-UHFFFAOYSA-N 301.390 3.218 0 40 DGAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccccc1Cl 42646112 RARYLMHLCJRRRS-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB CCn1cnnc1[C@H]1CCCN(C(=O)c2csc(Cl)c2)C1 191350027 YFJKEOGKGVZFGT-JTQLQIEISA-N 324.837 3.033 0 40 DGAB Cc1nc(C(=O)OC[C@@H]2CC[C@H](C)O2)c(-c2ccccc2)o1 97376738 QYFQRHCHFANQOD-FZMZJTMJSA-N 301.342 3.374 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@@H](c2nnc3n2CCC3)C1 249085679 MNJMGDFYUIIOSS-GVDBMIGSSA-N 314.477 3.396 0 40 DGAB Cc1cccc(-n2nc(C(=O)O)c(N(C)C3CCCCC3)n2)c1 256046913 IXNQTQXQKRJOCJ-UHFFFAOYSA-N 314.389 3.043 0 40 DGAB CN1CC[C@@]2(C)[C@@H]1CCCCCN2C(=O)Cc1ccc(F)cc1 257282210 OSWMLGBUGUGZOB-HKUYNNGSSA-N 318.436 3.234 0 40 DGAB Cc1csc([C@@H](C)CNc2ncc(Br)cn2)n1 273294350 KZGJEEHPKLRPDN-ZETCQYMHSA-N 313.224 3.220 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccccc1-n1ccnc1 45860190 CZSFZPWYNIDDGG-UHFFFAOYSA-N 310.357 3.048 0 40 DGAB CCc1csc(NC(=O)CSCC(=O)c2ccccc2)n1 69669497 KRBQGMUWOBARCR-UHFFFAOYSA-N 320.439 3.260 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64335791 CMTJVRWAZNYJJG-NXEZZACHSA-N 324.475 3.017 0 40 DGAB Cc1noc(C)c1CC[S@](=O)[C@@H]1CCc2c(F)cccc21 95439220 DLWITDPAPRXLPJ-IIBYNOLFSA-N 307.390 3.409 0 40 DGAB O=C(NCc1nn(C2CCCC2)c2c1CCCC2)c1ccco1 96099203 CZYZLBCKTCWEJP-UHFFFAOYSA-N 313.401 3.400 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1 78934126 AQVXEUVEFHTRBE-HOCLYGCPSA-N 307.459 3.425 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1c(Cl)cccc1Br 1083806334 KBVNMKXWEIHDLZ-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccccn2)CC1 100809414 SCZMLPAFUIAMKW-OKILXGFUSA-N 305.422 3.007 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 11610169 CFDGXLWEAAHUSH-JTQLQIEISA-N 307.296 3.379 0 40 DGAB O=C(CSc1ccncc1)Nc1ccc2c(c1)OC(F)(F)O2 12544951 ZMKCOECYXHEUBN-UHFFFAOYSA-N 324.308 3.134 0 40 DGAB COC(=O)C1(Cc2cc(-c3ccc(C)cc3)no2)CCOCC1 13227128 SZWKKAZXUMVQDG-UHFFFAOYSA-N 315.369 3.162 0 40 DGAB Cc1ccc(C(=O)OCc2nc(-c3ccccc3)no2)s1 5975625 FBKMWACXWNBSHC-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 5973675 ROYAYUGRYGJSTN-CYZMBNFOSA-N 309.431 3.297 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(F)c(F)cc1Cl 13597859 XEZVFMHGNZLYPL-UHFFFAOYSA-N 323.686 3.040 0 40 DGAB Cc1cccc(CC(=O)NC[C@@H]2CCCN2c2ccccc2)c1 211115665 UDTCEKYXSZUDCM-IBGZPJMESA-N 308.425 3.323 0 40 DGAB O=C(CCCOc1ccccc1Cl)NCc1cccnc1 50256525 MJNVIRRSDZAXRA-UHFFFAOYSA-N 304.777 3.210 0 40 DGAB COc1cc(NC(=O)N[C@H](C)c2ccc(C)o2)cc(OC)c1 40525941 FRBOHOFBGNVRDV-LLVKDONJSA-N 304.346 3.488 0 40 DGAB COc1ccc(C(=O)CSC(=S)N2CCCCC2)cc1 1573862 OOJULBTWIPGXSL-UHFFFAOYSA-N 309.456 3.382 0 40 DGAB Cc1ccc(Cl)cc1-n1ncc2c(N3CCCC3)ncnc21 20662006 VCISQSHHSAFYJQ-UHFFFAOYSA-N 313.792 3.378 0 40 DGAB COC(=O)[C@@]1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O 6003303 SUTQCHYMFJGXOS-NRFANRHFSA-N 320.388 3.316 0 40 DGAB COc1cccc([S@](C)=NS(=O)(=O)c2ccc(C)cc2)c1 6022330 HCQNSQMFXRPZSF-HXUWFJFHSA-N 323.439 3.183 0 40 DGAB O=c1c(-c2nc(-c3ccc(F)cc3)no2)c[nH]c2ccccc12 20746119 YRWOHUWNDBLURA-UHFFFAOYSA-N 307.284 3.384 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)CCn2cnc3ccccc32)no1 29242358 PDGQOAFYYPVRHF-KRWDZBQOSA-N 324.384 3.087 0 40 DGAB CC(C)(C)c1nc(Cn2cnc3sccc3c2=O)cs1 32316852 GGFGATWJOKKNBK-UHFFFAOYSA-N 305.428 3.260 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]1C(=O)Nc1ccc(Cl)cc1)C21CC1 101390183 ASDPUUJYSFIGGI-FQUUOJAGSA-N 317.772 3.192 0 40 DGAB COc1ccccc1-c1nn2c(Cc3ccccc3)nnc2s1 383106 JOXSYXPHZWBYIY-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB COc1ccc(OCC(=O)Nc2cccc(F)c2)c(C(C)=O)c1 21025323 VYEDLCYOTIKCID-UHFFFAOYSA-N 317.316 3.054 0 40 DGAB C[C@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccccc2)N1 59517823 WFJCQIQJPACWHC-HNNXBMFYSA-N 303.818 3.412 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)NC(=O)OCC(C)C 8320010 MBCWWLNNMSNPRP-NSHDSACASA-N 312.797 3.358 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NCCOc1ccccc1F 32899546 JGYPMHWFFSTJKJ-UHFFFAOYSA-N 323.389 3.029 0 40 DGAB Cc1nc(SCC(=O)NCc2ccccc2)n(C2CC2)c1C 32894083 BZTOJHLGGATWHT-UHFFFAOYSA-N 315.442 3.243 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 69455582 WWFBIOGBTMHJBF-HOTGVXAUSA-N 306.475 3.156 0 40 DGAB CCCCS(=O)(=O)Cc1csc(Cc2ccccc2)n1 69420814 DSEQBCCLGOFMMD-UHFFFAOYSA-N 309.456 3.449 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1C 9232155 YQLIJWZFLADJRS-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB Cc1cc(C)c2c(c1)O[C@@](O)(C(F)(F)C(F)(F)F)CC2=O 554661 PCVZMQANBMXMKG-LLVKDONJSA-N 310.218 3.155 0 40 DGAB COc1ccccc1N1C[C@@H](c2nc3ccccc3n2C)CC1=O 532527 PBQBDKWXJPORAS-ZDUSSCGKSA-N 321.380 3.102 0 40 DGAB C[C@@H](Oc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 9217779 XAKSZZIIVFWRQO-LLVKDONJSA-N 317.316 3.003 0 40 DGAB NC(=S)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 47271318 RRWVGJDEPZMWQS-UHFFFAOYSA-N 324.449 3.173 0 40 DGAB O=C(NC1=NCCS1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 107083949 CWTKTCBKHOAAAC-VHSXEESVSA-N 315.225 3.316 0 40 DGAB Cc1cc(C(=O)NC[C@H](C)c2ccccc2)c2c(C)nn(C)c2n1 25447160 SJRCVMLPAQZZLL-LBPRGKRZSA-N 322.412 3.119 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CCCOC2)cc1 89632158 QMKKBRZVYVROPZ-HOTGVXAUSA-N 305.443 3.038 0 40 DGAB CC[C@](C)(NCc1ccccc1)c1nnnn1-c1ccccc1C 35622731 UZHXPDCKMHNFAI-IBGZPJMESA-N 321.428 3.386 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 35856909 IUNYGQONJQTULL-LMCNQGNMSA-N 304.430 3.138 0 40 DGAB CN(C)c1ncccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 58103768 SDZFARQZAPESPW-UHFFFAOYSA-N 322.368 3.419 0 40 DGAB Cc1c(C(=O)Nc2ccccc2CC(N)=O)sc2ccccc12 58167521 YDWLCWPXUDWBPB-UHFFFAOYSA-N 324.405 3.490 0 40 DGAB Cc1cc(C)c(C)c(OCC(=O)NCCc2ccc(F)cc2)c1 22906079 AVTALCKRXKYKAN-UHFFFAOYSA-N 315.388 3.489 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccs1 20139447 DBZPGGGYFYJXLK-UHFFFAOYSA-N 311.746 3.361 0 40 DGAB CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3195681 SGQQYQGJQUBFHJ-UHFFFAOYSA-N 309.321 3.054 0 40 DGAB C[C@H](CNS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 10511717 XALULRARDYGNQD-LLVKDONJSA-N 311.353 3.047 0 40 DGAB O=C(COC(=O)C1CCCCC1)N[C@H]1CCCc2ccccc21 3377069 XYFSBEDAGNOVDC-KRWDZBQOSA-N 315.413 3.304 0 40 DGAB OC[C@@H](Nc1ncnc2sccc12)c1ccc(Cl)cc1 92961268 WURLJXDJBBTBFT-GFCCVEGCSA-N 305.790 3.490 0 40 DGAB O=C(NCc1cccc(Cn2cccn2)c1)Nc1ccccc1 48356304 PUCVYAZAFJZBGH-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB CCOCc1c(I)cnn1C1CCCC1 408717194 WTTXRQWSHYLGOI-UHFFFAOYSA-N 320.174 3.139 0 40 DGAB COc1cc(C(=O)NCCCC2CCCC2)cc(OC)c1OC 12940861 PKLQYJRPOHXBLP-UHFFFAOYSA-N 321.417 3.413 0 40 DGAB CCOc1ncnc2c1oc1nc(C)c3c(c12)CC(C)(C)OC3 13207103 OWQQJBMYIHOHMQ-UHFFFAOYSA-N 313.357 3.329 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H](n3ccnc3C)C2)c(C)o1 69699794 IMFQAPFFHZQQOU-BBRMVZONSA-N 315.417 3.369 0 40 DGAB COc1cc2c(cc1OC)CC(C)(C)N(C(=O)c1ccco1)C2 4029279 IZFCUYFOLOPCAT-UHFFFAOYSA-N 315.369 3.274 0 40 DGAB biogenic Cc1cc(NCc2ccc(C(F)(F)F)cc2)n2ncnc2n1 71294948 WJPFMVDWJZUPGD-UHFFFAOYSA-N 307.279 3.064 0 40 DGAB CCCN(C)c1ccc(C(=O)Nc2c3c(nn2C)CCC3)cc1 63940299 RNRISJUGECOSST-UHFFFAOYSA-N 312.417 3.007 0 40 DGAB COc1cccc(NC(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 69769749 NXGNYJWHQYDPAX-MEDUHNTESA-N 318.348 3.078 0 40 DGAB COCc1cccc(NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1 65361523 SRJKCPHMXDAONZ-LLVKDONJSA-N 316.405 3.066 0 40 DGAB O=C(NC1CCC(O)CC1)N[C@H](c1ccc(F)cc1)C1CCC1 69980504 AZVATCXACFBYIL-JCYILVPMSA-N 320.408 3.270 0 40 DGAB Cc1cccc(CS(=O)(=O)N[C@H]2CCCc3ccccc32)c1 22526929 MQLDFUAWLKFKEQ-SFHVURJKSA-N 315.438 3.492 0 40 DGAB CCc1c(C(=O)Nc2ccccc2F)cnn1-c1ccccn1 8715215 YOJXUATXCABZSS-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB COc1ccc(CNC(=O)CSc2ccccc2C)cc1 5680639 HBFCHPMVSQRORX-UHFFFAOYSA-N 301.411 3.412 0 40 DGAB CC(=O)c1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1 5688889 CHRJEQHMMCMPGA-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB Cc1ccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)cc1 8715360 PLEHRXPTWVSFBM-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CCOc1ccc(CN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 8709986 SMCOSOOZBBBPQW-UHFFFAOYSA-N 309.369 3.234 0 40 DGAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc(F)cc1Cl)C2=O 5885098 AJPNIBLYZWVHKF-HWPZZCPQSA-N 324.783 3.480 0 40 DGAB CC(C)OC(=O)[C@@H]1CCN[C@@H]1c1cccc(Br)c1 4993874 IXMBVAXQDVTPEC-CHWSQXEVSA-N 312.207 3.051 0 40 DGAB Fc1cccc(Cl)c1COc1ccc(-n2cnnn2)cc1 7467497 HRBHNMQRTUNEIK-UHFFFAOYSA-N 304.712 3.034 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)Nc2cccnc2Cl)s1 7776662 KOBQQLSIQYWWAP-LURJTMIESA-N 314.823 3.014 0 40 DGAB Cc1ccccc1C(=O)N1CCn2c(-c3ccco3)cnc2C1 306132104 KYLNOSAHPFTRDV-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2cnoc2C)c(OC)c1 96012906 PWXCXHXWWYUAFN-MRXNPFEDSA-N 302.374 3.337 0 40 DGAB CC(C)n1cc2c(n1)[C@@H](Nc1ccc3nccnc3n1)CCC2 96002446 QAYAJHLXPHDWKT-ZDUSSCGKSA-N 308.389 3.292 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)Nc1cc(F)ccc1F 9338544 WANIJFLQRVICPS-JTQLQIEISA-N 306.312 3.413 0 40 DGAB O=C(NC[C@H]1C[C@@H]1c1ccccc1)Nc1ccn(CC(F)F)n1 96452289 SFBXRYUJFHQHMZ-CHWSQXEVSA-N 320.343 3.073 0 40 DGAB Cc1cc(C(=O)Nc2c(C)n[nH]c2C)cc(C)c1OC(F)F 71886383 TYNXPBWCHWZSTA-UHFFFAOYSA-N 309.316 3.497 0 40 DGAB COc1ccsc1C(=O)N1CCC(Oc2ccccc2)CC1 71879428 VZMUKEORRNAELB-UHFFFAOYSA-N 317.410 3.440 0 40 DGAB COc1ccc2c(CC(=O)OCc3csc(C)n3)coc2c1 95348821 GNBBBTYGIXBYGR-UHFFFAOYSA-N 317.366 3.492 0 40 DGAB O=C(c1ccon1)N1CCC(Oc2ccccc2Cl)CC1 95436390 IEIVYNLHGIXTSS-UHFFFAOYSA-N 306.749 3.012 0 40 DGAB O=C(CSc1ccccc1)Nc1cc(-c2cccnc2)n[nH]1 95438610 GGWXBNRHNSHRNV-UHFFFAOYSA-N 310.382 3.203 0 40 DGAB C[C@H](CCn1cncn1)N[C@@H]1CC2(CCC2)Oc2ccccc21 95423613 IQYVQRDZUCEHPL-GDBMZVCRSA-N 312.417 3.093 0 40 DGAB Cc1nc(C)c(C(=O)N[C@@H]2CC(C)(C)Oc3cc(F)ccc32)o1 89558174 SKAUHKJWTJPKLV-CYBMUJFWSA-N 318.348 3.463 0 40 DGAB CC[C@](C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC 500271357 WPBMHLXBURPAEQ-ZDUSSCGKSA-N 304.173 3.065 0 40 DGAB COc1cccnc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1527081489 AXZFXZGUKIXXLV-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB O=C(c1ccoc1)N1CC[C@H]2CCN(c3ccccc3)CC[C@@H]21 306144348 ZCZMWUSZXWVBSM-QAPCUYQASA-N 310.397 3.411 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 215910893 VGWPKCOANXWONX-JXFSHQFZSA-N 305.443 3.481 0 40 DGAB COc1cc(NC(=O)NCc2cc(C)oc2C)cc(OC)c1 70640544 JEFOCOJNAMRNFA-UHFFFAOYSA-N 304.346 3.235 0 40 DGAB CCCCN(C)C(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330054 ASRAQKDLKGUJJB-UHFFFAOYSA-N 317.307 3.121 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccoc2)cc1 186122197 GZVDXXILCYVWKZ-ZIAGYGMSSA-N 307.415 3.101 0 40 DGAB O=C(CNC1CCCC1)Nc1ccccc1N1CCCCC1 35311481 SVEJDCPTXALLPG-UHFFFAOYSA-N 301.434 3.148 0 40 DGAB O=C(Nc1ccc2c(c1)C(=O)NCc1cccn1-2)c1cccs1 225380163 OCUFUNMFGGAFDH-UHFFFAOYSA-N 323.377 3.035 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC 225252580 QMMUXXMYDSEJFY-HNNXBMFYSA-N 324.852 3.383 0 40 DGAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225838366 CWQAUALPDJDKJX-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB CN(CCCNC(=O)NCc1ccc(F)cc1)c1ccccc1 40068981 HRUVARRVKDZZPA-UHFFFAOYSA-N 315.392 3.151 0 40 DGAB Cc1cccc(CNC(=S)Nc2ccc3c(c2)OCCO3)c1 44385913 TURVVKNVNXJHEI-UHFFFAOYSA-N 314.410 3.253 0 40 DGAB CCCNC(=S)N1CCC(c2ncc(C(C)(C)C)o2)CC1 227163864 XEVDOFRIHQPCJE-UHFFFAOYSA-N 309.479 3.436 0 40 DGAB CSCC[C@@H](C(=O)NC[C@H]1C[C@H]2C=C[C@H]1C2)n1cccc1 575443985 IVPUKVLRZJEFOW-JONQDZQNSA-N 304.459 3.111 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)c1cnc(-c2ccccc2)nc1 96411795 XTKSYPXQGSUXNR-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB COc1ccc(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)cn1 96434011 OAIFDBOGNWTHIW-ZDUSSCGKSA-N 318.402 3.128 0 40 DGAB CC(C)OC(=O)c1ccn(Cc2cccc3cccnc23)c(=O)c1 97376145 BEBLLJQSSMNBQC-UHFFFAOYSA-N 322.364 3.010 0 40 DGAB COc1cccc(NC2CCN(c3cc(C)nc(C)n3)CC2)c1 96444366 WFOAIQLCDQOJQW-UHFFFAOYSA-N 312.417 3.183 0 40 DGAB Cc1nc(CNC(=O)c2ccon2)oc1-c1ccc(Cl)cc1 96474068 BDXLWOWBLKLRBW-UHFFFAOYSA-N 317.732 3.221 0 40 DGAB CCN(CCC(F)(F)F)C(=O)C[C@H]1CSCCS1 96483614 SFNRKYUPQNWBSF-VIFPVBQESA-N 301.399 3.026 0 40 DGAB CN(C)C[C@@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 248081370 CUNAQEVDGTTZJE-LJQANCHMSA-N 320.440 3.155 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 253504862 MGUDNDBPVZPSQA-MBLOEGTOSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro CC[C@H](c1nc(-c2nccc3ccccc23)no1)N1CCCC1=O 585133920 ZVXRAVGCZVJATJ-CQSZACIVSA-N 322.368 3.358 0 40 DGAB c1ccc(Cc2cnc([C@@H]3CCCN3Cc3cnccn3)o2)cc1 257204166 ATIAVTIAARICGM-SFHVURJKSA-N 320.396 3.393 0 40 DGAB Cc1cc2cc(C(=O)N3CC[C@@H](c4[nH]ncc4C)C3)ccc2o1 257224083 FAFLDXOVCSCVSP-CQSZACIVSA-N 309.369 3.402 0 40 DGAB O=S(=O)(Cc1coc(-c2ccc(F)cc2)n1)c1ccccc1 43679159 FNIRTVVNYCCLMM-UHFFFAOYSA-N 317.341 3.455 0 40 DGAB CN(C(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccc1 52929747 RTZHVWDQLHVDMV-CQSZACIVSA-N 318.417 3.297 0 40 DGAB O=C(Nc1ccccn1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 57197754 FGVQWNPJBJAOOF-GOEBONIOSA-N 315.348 3.263 0 40 DGAB O=C(CSC1CCCC1)NC[C@@](O)(c1ccccc1)C1CC1 96025988 BSSNXIUWFFOHOK-GOSISDBHSA-N 319.470 3.076 0 40 DGAB COc1cccc2ncnc(Nc3ccc(CNC(C)=O)cc3)c12 543977133 HSZJGACNHLLLDQ-UHFFFAOYSA-N 322.368 3.018 0 40 DGAB O=C(c1ccncc1)N1CCC(c2ccc3cccnc3n2)CC1 655264861 AVKLTQLPVSJUIN-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB CC(=O)c1ccc(Br)cc1OCc1cnc(C)cn1 95427703 OPDDBVBMWPGJCB-UHFFFAOYSA-N 321.174 3.329 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)NCCCc2ccccc2)c(C)c1 5251359 MPSHIRBIZUAYDH-UHFFFAOYSA-N 324.424 3.299 0 40 DGAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCc1cccs1 5000538 LDSTYEMLHGTVDP-OGHNNQOOSA-N 306.475 3.169 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CC(c3cccc(OC)c3)=NO2)cc1 5029353 FDYYKXCLEYFRNL-GOSISDBHSA-N 324.380 3.389 0 40 DGAB COc1cc(OC)cc(OCC(=O)NCCC2=CCCCC2)c1 5497307 AHSYLZKPEKTSON-UHFFFAOYSA-N 319.401 3.089 0 40 DGAB C[C@@H](OC(=O)c1ccc(O)cc1)C(=O)c1ccc2c(c1)CCC2 5693783 JLZDTGLTEXVLBH-GFCCVEGCSA-N 310.349 3.309 0 40 DGAB CCCn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)cn1 12344505 QCQANQNQHXIRLF-UHFFFAOYSA-N 313.445 3.085 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)N2C[C@H](C)O[C@H](C)C2)c1C 12808343 IPOQZROWKAFQCJ-TXEJJXNPSA-N 318.442 3.405 0 40 DGAB O=C(COc1ccccc1C(=O)O)Nc1cccc(Cl)c1 13080182 MEQFUHBYLRJYPT-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccccc1F 13085335 NUKFCQUGKUHKFA-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](c2ccc(F)cc2)Nc2nc(N)nn21 13132192 NIDOIRMPUZLJEG-HZPDHXFCSA-N 323.375 3.454 0 40 DGAB aggregator C[C@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)no1 13495435 NKVXZUPICOLEJR-NSHDSACASA-N 311.316 3.367 0 40 DGAB CCOc1ccc(N2C(=O)/C(=C\c3ccccc3)NC2=S)cc1 13547425 ZUKSAMNUNSVMBY-FOWTUZBSSA-N 324.405 3.348 0 40 DGAB Cc1ccccc1OCC(=O)NCCCN(C)c1ccccc1 17826865 PDLBWAOHDUIWRU-UHFFFAOYSA-N 312.413 3.017 0 40 DGAB COc1cc(NC(=O)c2ccccc2F)cc2sc(N)nc12 226309893 GZHHUGNZOGNUJT-UHFFFAOYSA-N 317.345 3.279 0 40 DGAB Cc1cc(Nc2ncc(C)s2)nc([C@@H]2CCCN(C)C2)n1 643551158 YWYQXMLVTCEIOT-GFCCVEGCSA-N 303.435 3.103 0 40 DGAB COC(=O)c1c2c(c3ccccc3c1O)OC(C)(C)C(OC)=C2 14594670 OCQKAHAAVZGZPO-UHFFFAOYSA-N 314.337 3.490 0 40 DGAB biogenic Cn1cc(-c2ccc(CCNC(=O)c3ccsc3)cc2)cn1 1889201438 SWYBIWFJIPVCAB-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB Cc1cccn2c(=O)cc(CN(C)[C@@H]3CCc4ccccc43)nc12 29486257 PGNIVVMAVQDXIN-GOSISDBHSA-N 319.408 3.122 0 40 DGAB O=C(NCc1cccnc1)c1ccc(COCC(F)(F)F)cc1 29899678 PPSVNOPEYYTPIU-UHFFFAOYSA-N 324.302 3.091 0 40 DGAB CC[C@@H]1CCCCN1C(=O)C(=O)c1c(C)n(C)c2ccccc12 4062401 STZPAGMAKCEGQS-CQSZACIVSA-N 312.413 3.461 0 40 DGAB Cc1cccnc1NC(=O)Cc1cc(-c2ccccc2F)on1 23127213 UONPKDGKALCENA-UHFFFAOYSA-N 311.316 3.365 0 40 DGAB O=C(/C=C/c1ccoc1)NCC[C@@H](CCO)c1cccs1 575619945 HDNKBMUENLVIKC-XGACYXMMSA-N 305.399 3.027 0 40 DGAB C=CC(=O)N1CCC[C@H](c2ccnc(Nc3ncccc3C)c2)C1 585290743 DQXNZQJFSGAYJX-INIZCTEOSA-N 322.412 3.421 0 40 DGAB CC(C)N(C)c1ccc(N[C@H](C)C(=O)N2CCCC2)cc1F 40152961 LYTXNCNFYZTOOX-CYBMUJFWSA-N 307.413 3.093 0 40 DGAB COc1cccc(-c2nnc(SCc3ccccn3)n2C)c1 1332800 LWHUPCHJUZOGLL-UHFFFAOYSA-N 312.398 3.178 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)[C@@H](C)c2ccccc2F)cs1 40514091 DLPZJXGWTMRAMA-VIFPVBQESA-N 321.377 3.074 0 40 DGAB COc1cccc(NC(=O)NC[C@@H](O)c2cccc(Cl)c2)c1 40520739 DKUCENRIGRRRKB-OAHLLOKOSA-N 320.776 3.204 0 40 DGAB CCCNC(=O)[C@H](C)NC(=O)Nc1c(C)cccc1C(C)C 40526100 CZSVELUSASKMCV-ZDUSSCGKSA-N 305.422 3.155 0 40 DGAB COc1ccc(CNCc2cc3cc(C)c(C)cc3[nH]c2=O)cc1 4160545 MBMCQTRXNSJNSL-UHFFFAOYSA-N 322.408 3.443 0 40 DGAB CCCCOc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 6397800 SIOFNQBPFGDWOS-UHFFFAOYSA-N 312.369 3.217 0 40 DGAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccccc1F 6514215 RZASLFNSEJLWJO-ZHACJKMWSA-N 300.358 3.352 0 40 DGAB CCOC(=O)c1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1 107800272 HFFZWCXOGLXYGH-VBKFSLOCSA-N 321.332 3.208 0 40 DGAB O=c1oc2ccccc2n1CCSc1ncnc2ccccc12 32777051 SVDZORRAPSKZQB-UHFFFAOYSA-N 323.377 3.330 0 40 DGAB CC(C)(C)c1noc(CCC(=O)NCc2cccc(Cl)c2)n1 32922769 WCQYDTQQOGGWDH-UHFFFAOYSA-N 321.808 3.270 0 40 DGAB CCCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 21874476 VQPSIGMYDKFFMN-OAHLLOKOSA-N 310.397 3.109 0 40 DGAB COc1cccc(CNC(=O)CCOc2ccc(Cl)cc2)c1 46567479 ATDLYVUWVLGKNJ-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccc(Cl)cc1 500674 WSHVUPRRAMSSSS-MRXNPFEDSA-N 316.788 3.383 0 40 DGAB COc1cc2c(cc1OC)C1=NN(c3ccccc3)C(=O)[C@@H]1CC2 104187445 QHCSKUNQTIMXBD-CQSZACIVSA-N 322.364 3.017 0 40 DGAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(c2ccccc2)C1 504139 MNHKYILFRYVHFG-GFCCVEGCSA-N 314.772 3.332 0 40 DGAB CCc1n[nH]c(SCC(=O)Nc2cccc(C(C)C)c2)n1 22284534 ARLSRAWQKZZHHB-UHFFFAOYSA-N 304.419 3.221 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CCC(=O)N1[C@H](C)CCC[C@H]1C 2757244 WGZLMVFPQBJSFZ-FPCVCCKLSA-N 308.466 3.346 0 40 DGAB CC(=O)n1cc(-n2ccccc2=O)c(-c2ccc(Cl)cc2)n1 1385233 SXRUEAQVVQKCNT-UHFFFAOYSA-N 313.744 3.015 0 40 DGAB Cc1nc(SCC(=O)N[C@@H](C)c2cccs2)nc(C)c1C 7252818 RMBOTQJJSSVMMB-LBPRGKRZSA-N 321.471 3.433 0 40 DGAB Cn1cc(-c2nnc(-c3cccs3)o2)c(C(F)(F)F)n1 1402693 FAHGEJSAJXDGPH-UHFFFAOYSA-N 300.265 3.217 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 12529359 SDAZPYKDQVBYSB-CQSZACIVSA-N 303.793 3.079 0 40 DGAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@@H]3C)nc2c1 25382164 LOGGXUZDIPXRGG-LBPRGKRZSA-N 311.410 3.464 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1C 12506866 TXMKZBVHLCUJPY-AWEZNQCLSA-N 323.396 3.436 0 40 DGAB COc1ccc(C(C)=O)cc1CN1CCN(c2ccccc2)CC1 57315277 IFMLGCBRWODJNO-UHFFFAOYSA-N 324.424 3.220 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@@]3(CCSC3)C2)o1 108118960 SFTJXJHKFMPECX-XEZPLFJOSA-N 324.446 3.003 0 40 DGAB CC(=O)NCc1ccc(C(=O)CSc2ccccc2)s1 7338940 ZGWDSOAWHFRDSJ-UHFFFAOYSA-N 305.424 3.359 0 40 DGAB Cc1ccc(CN(Cc2cc(=O)n3ccccc3n2)C2CC2)cc1 27594864 PFXIMCJTYTVQEQ-UHFFFAOYSA-N 319.408 3.168 0 40 DGAB Cc1ccsc1CN(C)C(=O)NC[C@@H](c1ccco1)N(C)C 44891230 PGIYJZYPIKLCEZ-ZDUSSCGKSA-N 321.446 3.094 0 40 DGAB CCN(C(=O)COc1ccc2c(c1)CCC(=O)N2)c1ccccc1 44839708 VLTLHKXYSQBBSX-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1C 3316934 WHFLSLXEPFJXIV-UHFFFAOYSA-N 303.402 3.299 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(C)c1 12748280 FSWHYKQANXENEM-GOSISDBHSA-N 314.404 3.475 0 40 DGAB CCC[C@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 48252462 WEBIAGUPLVJZKP-XHDPSFHLSA-N 310.825 3.212 0 40 DGAB CC(C)c1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 12997151 HSPDJQSCJKKVJF-UHFFFAOYSA-N 310.353 3.393 0 40 DGAB CC(C)c1nn(C)cc1CNCc1cn2cc(Cl)ccc2n1 48710954 MHBWJZPXNZKMNT-UHFFFAOYSA-N 317.824 3.134 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2ccc3c(c2)OCO3)c(C)c1 13006787 KAVSBDARSBIVHT-SOFGYWHQSA-N 309.365 3.362 0 40 DGAB Cc1ccsc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 13175981 BCIATAVGKZBNTN-GFCCVEGCSA-N 307.346 3.141 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1F 16130520 SGFKJZKZMCTPAV-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CC(C)c1ccc(NC(=O)c2ccccc2S(C)(=O)=O)cc1 7842953 MKWMEWJQTHLPQD-UHFFFAOYSA-N 317.410 3.466 0 40 DGAB COc1ccc(OC)c(-c2c(C)c3cc(O)ccc3oc2=O)c1 4085376 QFPBSLATTWRCJZ-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic O=C(OCc1cc(-c2ccco2)on1)c1ccc2c(c1)OCO2 8068709 IWIPOOGMVVSSAO-UHFFFAOYSA-N 313.265 3.020 0 40 DGAB FC(F)(F)c1cccc(-c2ccc(N3CCNCC3)nc2)c1 49917066 UQDMUQWHCOMEPU-UHFFFAOYSA-N 307.319 3.177 0 40 DGAB COc1ccccc1-c1cccc(C(=O)NCCc2c[nH]cn2)c1 65456635 GGVMSJQBVDKNRE-UHFFFAOYSA-N 321.380 3.058 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)c1 8117171 GCIURRDGIQYEML-BQYQJAHWSA-N 303.387 3.322 0 40 DGAB O=C(CSc1ccc2c(c1)OCCO2)NC1CCCCCC1 6433982 MTYCPJSHESJCJN-UHFFFAOYSA-N 321.442 3.389 0 40 DGAB Cc1ccc(CNC(=O)CNC23CC4CC(CC(C4)C2)C3)cc1 14119232 JLJRHYIHCNOXTQ-UHFFFAOYSA-N 312.457 3.170 0 40 DGAB Cn1c(SCc2cccc(F)c2F)nnc1-c1cccnc1 14140314 AJKGBOZGJCCVFY-UHFFFAOYSA-N 318.352 3.448 0 40 DGAB Cc1ccc([C@H]2C3=C(N=C4NC=NN42)c2ccccc2OC3)cc1 5532969 XRWHEWGLSVWKDD-SFHVURJKSA-N 316.364 3.058 0 40 DGAB O=C(O)c1cc(C(F)(F)F)nn1Cc1cccc(Cl)c1 408717632 LJZDUYLICRZRCC-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB CCCCN1C(=O)S[C@@H](Nc2ccc(OCC)cc2)C1=O 4748441 LZJPWZSHXKTMOL-CYBMUJFWSA-N 308.403 3.319 0 40 DGAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(C)cc2)cc1 28580328 JDNSKMNQWRFTHY-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 69872746 VAXDVDBXWLNNBI-AEFFLSMTSA-N 309.413 3.085 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c1 8714839 VSSYWDGSENBHFK-GXTWGEPZSA-N 311.447 3.115 0 40 DGAB C[C@@H]1CN(C=O)c2ccccc2N(C/C=C/c2ccccc2)C1=O 8809984 XIXKZHBRWGFYJT-OJXHRBAXSA-N 320.392 3.346 0 40 DGAB Clc1ccccc1COc1cccc(N2CCNCC2)c1 19688543 CNRJRVYSPNUTCG-UHFFFAOYSA-N 302.805 3.329 0 40 DGAB O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@@H]1n1ccnc1 71812657 OFEIGGCORSRHSA-WMZOPIPTSA-N 322.412 3.138 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@H]2CC=CCC2)n1 71865474 SBITXTYZIBNJQI-DLBZAZTESA-N 301.434 3.237 0 40 DGAB CC(C)C[C@@H](OC(=O)c1ccc2nncn2c1)c1ccccn1 84509961 JWAUWZHECMGSDH-OAHLLOKOSA-N 310.357 3.069 0 40 DGAB CCSCC(=O)N(C)Cc1cc(Br)cs1 95418050 FWLYLCMRJHITAY-UHFFFAOYSA-N 308.266 3.222 0 40 DGAB CN(C(=O)N[C@@H]1CCC[C@H](C2CC2)C1)C1CCC(CO)CC1 95430522 LLENNUNRKHWPRK-CBUUIXETSA-N 308.466 3.148 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2sccc2C)c1 95422668 JZOIYJWOTDFDCW-LRDDRELGSA-N 321.442 3.458 0 40 DGAB CCOc1cccc2c1CC[C@@H]2NC(=O)NCCC(F)(F)F 95404565 GSTKRIOTCKZVHL-LBPRGKRZSA-N 316.323 3.324 0 40 DGAB Clc1cnc(-n2cc(N[C@@H]3CCCOC3)cn2)c(Cl)c1 95992667 YLPINHZWNQKICO-SNVBAGLBSA-N 313.188 3.165 0 40 DGAB CCOC(=O)N1CCC(NC[C@H]2C[C@H]2c2ccccc2)CC1 89153729 XPDJYFXWBKJJAK-WBVHZDCISA-N 302.418 3.001 0 40 DGAB CCOc1ccccc1CNC1CCN(c2nccs2)CC1 89552749 JAOPGBMIJGXLEC-UHFFFAOYSA-N 317.458 3.300 0 40 DGAB CC(C)NC(=O)CC1(N2Cc3ccccc3C2=O)CCCCC1 1548348313 LAIVEGXXDFCNGQ-UHFFFAOYSA-N 314.429 3.260 0 40 DGAB CCCc1cc(C(=O)NCc2ccc([C@@H]3C[C@H]3C)o2)cc(O)n1 1548491996 XKUUIUPUKQYUDA-IAQYHMDHSA-N 314.385 3.386 0 40 DGAB COCc1ccccc1/C=C(\C)CN1CCC(N(C)C)CC1 507352272 IZJAYBQKPZZQEX-DTQAZKPQSA-N 302.462 3.262 0 40 DGAB C[C@@H]1CC[C@@H](NC(=O)N(C)CC2(CO)CC2)c2ccccc21 187334621 KHINULWBJBPDGU-CZUORRHYSA-N 302.418 3.039 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H](O)[C@@](C)(O)C[C@H]12 39941864 OOVXZFCPCSVSEM-MJUPKGCFSA-N 316.441 3.273 0 40 DGAB CCCCNC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329039 YPMAQPSLYWNIGN-UHFFFAOYSA-N 322.206 3.369 0 40 DGAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccccn1 79043985 RUVOVVAOFPASOU-LLVKDONJSA-N 322.767 3.300 0 40 DGAB Cc1ncn(-c2cc(C(F)(F)F)ccc2Br)n1 2362803630 RZMXWIUHJQCYLF-UHFFFAOYSA-N 306.085 3.357 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N[C@@H](CC)c1c(C)nn(C)c1C 72527500 AGXFGRHALRHUQB-HOTGVXAUSA-N 321.465 3.342 0 40 DGAB O[C@@]1(C(F)(F)F)CCCN(Cc2cnc(C3CC3)s2)CC1 561974758 KXKBWUATKQEDFV-ZDUSSCGKSA-N 320.380 3.300 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)c2ccncc2Cl)cc1 73060770 OIIWLRFESJEOMO-GFCCVEGCSA-N 318.804 3.447 0 40 DGAB CC(C)CCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184893 RNPQAISHLZNDEY-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB Cc1cnc(NC(=S)NC2CCCC2)c(Br)c1 224033526 GIVCMUQIUFMTMI-UHFFFAOYSA-N 314.252 3.382 0 40 DGAB O=C(c1ccccc1)[C@H]1N[C@H]1c1ccc(Br)cc1 49762755 KBGOQVUCMFYENS-KBPBESRZSA-N 302.171 3.345 0 40 DGAB Cn1nc(-c2ccc(/C=C/C(=O)O)s2)cc1C(F)(F)F 44201116 XZYNPWSNJZNSMD-HWKANZROSA-N 302.277 3.265 0 40 DGAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1C 223559750 OCDASZJQXIURPI-OAHLLOKOSA-N 322.430 3.338 0 40 DGAB C[C@H]1CCO[C@@H]1C(=O)N(C)c1ncc(-c2ccccc2)s1 195546097 XTUQMLQUEOIKBB-FZMZJTMJSA-N 302.399 3.198 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)N1CCOC[C@@H]1C1CC1 89862248 HFFCRDPIUWOTRN-CQSZACIVSA-N 323.824 3.049 0 40 DGAB CC(C)(C)OC(=O)c1ccc(C(=O)O)c(Br)c1 575442046 OXUVKSYUWMNNJT-UHFFFAOYSA-N 301.136 3.103 0 40 DGAB CC[C@@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)OC 192835258 NVZCCRIFJJIRLY-MRXNPFEDSA-N 312.369 3.302 0 40 DGAB Cn1cccc1C(=O)N1CC[C@@H](CSc2ccccc2)C1 81287890 HFKCNKHJGHGTBP-CQSZACIVSA-N 300.427 3.280 0 40 DGAB COC(=O)[C@@H](C)CSCc1noc(-c2ccccc2C)n1 96471993 GUZMRELMATYZTN-NSHDSACASA-N 306.387 3.087 0 40 DGAB Cc1cc(NC(=O)N2C[C@H](C)O[C@@H](c3ccsc3)C2)no1 96469316 LYTHYUHEGHGIKD-CMPLNLGQSA-N 307.375 3.038 0 40 DGAB CCN(CC)C1CCN(C(=O)[C@@H]2CSc3ccccc32)CC1 96411234 ZAOJVVIOROYPSW-MRXNPFEDSA-N 318.486 3.209 0 40 DGAB Cc1cnc(CCN[C@H](Cc2ccncc2)C(F)(F)F)s1 96478459 WKEWRKJXFRVEPI-GFCCVEGCSA-N 315.364 3.152 0 40 DGAB CC[C@@](Cl)([C@@H](O)c1cccc(Cl)c1)S(=O)(=O)CC 96520676 QIRYJGCOFSMUMQ-RYUDHWBXSA-N 311.230 3.153 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2oc(C)nc2C)n1 96473376 JILVKGDUKUCTAO-UHFFFAOYSA-N 324.384 3.024 0 40 DGAB C[C@@H](Cc1ccccc1)NS(=O)(=O)/C=C/c1ccccc1 96136890 UDCFXEZVPWRZDZ-LHNRBYRGSA-N 301.411 3.208 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)c1cccc(-n2cccn2)n1 96413178 DSTROCDLCSWJKJ-GFCCVEGCSA-N 312.398 3.162 0 40 DGAB CCOc1ccc([C@@H]2Cn3nc(C)c(C(=O)O)c3N2)cc1Cl 96530359 RVACQLSMHQUMEN-NSHDSACASA-N 321.764 3.109 0 40 DGAB c1ccc(Cc2cnc([C@H]3CCCN3Cc3cnccn3)o2)cc1 257204165 ATIAVTIAARICGM-GOSISDBHSA-N 320.396 3.393 0 40 DGAB CCn1nc(C)cc1CNC(=O)CCCc1ccc(C)s1 257173827 YNIKSBOMGJWFII-UHFFFAOYSA-N 305.447 3.220 0 40 DGAB CC[C@@H](NC(=O)NCc1nc(C)cs1)c1ccc(OC)cc1 48278345 NXSDETYHUFLFLK-CQSZACIVSA-N 319.430 3.411 0 40 DGAB O=C(c1cc2cc(Cl)ccc2o1)N1CCO[C@H]2CCC[C@H]21 53379338 CSIICDICOKEDJO-OCCSQVGLSA-N 305.761 3.480 0 40 DGAB CC(C)COc1cccc(CN2CCOC3(CCOCC3)C2)c1 104360755 MOBZNILITBVZJN-UHFFFAOYSA-N 319.445 3.103 0 40 DGAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CSCc1ccccc1 585319751 QYMRMCSOUIZMAY-XYPWUTKMSA-N 305.443 3.088 0 40 DGAB Cc1nc(CN2CC[C@H](Cc3ccc(F)cc3)[C@@H](O)C2)cs1 1615086727 MVJLZXBGZYBQGY-PBHICJAKSA-N 320.433 3.016 0 40 DGAB CC(C)(C)OC(=O)NCc1cc(OC(F)F)c(Cl)cn1 1504244763 FXUTUIAQPIEXGT-UHFFFAOYSA-N 308.712 3.361 0 40 DGAB CN(C1CCCC1)S(=O)(=O)c1ccc(Br)s1 20461048 JYEHPKOICURUPN-UHFFFAOYSA-N 324.265 3.074 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)COc2cccc(C)c2)c1 5865451 WHMNQSXZOMLHCS-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC(=O)Nc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1 13561378 LJSWBDGCVDGBGJ-UHFFFAOYSA-N 321.380 3.407 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccccc1OC 13649269 CPGAXQUSGVQRQQ-HNNXBMFYSA-N 304.434 3.080 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CCCc2ccccc21 14701859 JJMSXXGABGFROF-UHFFFAOYSA-N 309.365 3.327 0 40 DGAB Cc1ccc(S(=O)(=O)NC2C(C)(C)CC(=O)CC2(C)C)cc1 16310318 UEACHFOJWIQNFS-UHFFFAOYSA-N 323.458 3.057 0 40 DGAB Cc1cc(CN(C)c2ncc(-c3ccncc3)c(C3CC3)n2)n[nH]1 19117458 BTFIZIOALZHKTE-UHFFFAOYSA-N 320.400 3.084 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccco1 1888930497 FNENWPMDKQQOEL-JTQLQIEISA-N 303.339 3.065 0 40 DGAB CCn1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 57810996 HZARDKOLRPWLDH-IBGZPJMESA-N 313.445 3.393 0 40 DGAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)CC(C)C 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3.002 0 40 DGAB Cc1noc(CCCC(=O)Nc2nc3c(s2)CCCCC3)n1 40515989 OHWYJTODXLZKRS-UHFFFAOYSA-N 320.418 3.065 0 40 DGAB COc1cccc(CC(=O)NCc2nc3ccccc3s2)c1 36835649 XUBBUAQBEYXABX-UHFFFAOYSA-N 312.394 3.164 0 40 DGAB O=C(CCc1nc2ccccc2o1)NCCc1ccc(F)cc1 8304231 OBMKBDXQJNXJQC-UHFFFAOYSA-N 312.344 3.258 0 40 DGAB CCOc1ccc(C(C)=O)cc1CSc1nnc(N)s1 2620005 BXLXCMWHBUAUNP-UHFFFAOYSA-N 309.416 3.014 0 40 DGAB C[C@H]1CCCN(C(C)(C)CNC(=O)c2cc3ccccc3[nH]2)C1 53391592 IWAYGWSXIDXAFT-AWEZNQCLSA-N 313.445 3.408 0 40 DGAB CCc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 21670122 QWYWUBQOHSPZBJ-OAHLLOKOSA-N 302.443 3.343 0 40 DGAB Cn1cc(CN2CCC(C(=O)O)CC2)c2cc(Cl)ccc21 32918947 NSGMXLKSUSHAGI-UHFFFAOYSA-N 306.793 3.128 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(F)cc1Cl 32995872 GQRJNDSZHOCVRD-NSHDSACASA-N 321.735 3.049 0 40 DGAB Cn1cc(C(=O)NCC(C)(c2ccccc2)c2ccccc2)cn1 21710718 DNNSPEVDWBTJFS-UHFFFAOYSA-N 319.408 3.156 0 40 DGAB CCc1ccccc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 542109 AHWURWXIBGJFPJ-LJQANCHMSA-N 309.365 3.359 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1cc(Br)c[nH]1 37494845 IPRBJYQSENWDSK-LLVKDONJSA-N 321.174 3.031 0 40 DGAB O=C(CC1=NCCN[C@@H](c2ccccc2)C1)c1ccccc1O 100638378 KEQSOUMJJLVRRL-QGZVFWFLSA-N 308.381 3.141 0 40 DGAB Cc1oc(C)c(C(=O)NCCc2ccc(-n3cccn3)cc2)c1C 22683764 HWZBPIYARKVMHC-UHFFFAOYSA-N 323.396 3.363 0 40 DGAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(F)cc4)cc1c32 101078517 GHOVTERLYAMNOM-LLVKDONJSA-N 324.355 3.474 0 40 DGAB CCC(=O)c1ccccc1OS(=O)(=O)c1ccccc1F 23994173 WACBJSMOTWDMDU-UHFFFAOYSA-N 308.330 3.186 0 40 DGAB CCSCC[C@H](C)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 75381873 GDQIJNVFLQPEJE-LBPRGKRZSA-N 318.442 3.132 0 40 DGAB CCc1ccc(Cn2c(-c3nonc3N)nc3ccccc32)cc1 1408255 BLQALQXARTXRCH-UHFFFAOYSA-N 319.368 3.279 0 40 DGAB CCOc1ccc(-c2noc(CSc3nccn3C)n2)cc1 12544447 POCJDLAZZTZHRJ-UHFFFAOYSA-N 316.386 3.161 0 40 DGAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)c1scnc1C(C)(C)C 106922895 UWKUIZHSLLTDCM-OLZOCXBDSA-N 323.506 3.291 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccn2)C[C@@H](c2ccsc2)O1 89936987 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317.414 3.043 0 40 DGAB CCCN1C(=O)S/C(=C\Nc2ccc(OCC)cc2)C1=O 36636193 PZKNYUDGJXAKQU-RAXLEYEMSA-N 306.387 3.444 0 40 DGAB CCN1C(=O)/C(=C/c2cn(CC)c3ccccc23)N(C)C1=S 39556444 WSRHXCFUKYPMEB-GDNBJRDFSA-N 313.426 3.081 0 40 DGAB CC1(C)OCC2(CO1)CN(C(=O)c1ccc(C(C)(C)C)cc1)C2 70971565 JPNLNRDMYKJITD-UHFFFAOYSA-N 317.429 3.209 0 40 DGAB COCCN1N=C(C(C)(C)C)Cn2c(cc3sccc32)C1=O 72334549 WCZCEIZVHDPSFK-UHFFFAOYSA-N 319.430 3.207 0 40 DGAB O=c1c2cc(-c3ccccc3)nn2ccn1Cc1ccc(F)cc1 64977487 URPLRHVHWCXKBM-UHFFFAOYSA-N 319.339 3.350 0 40 DGAB CC[C@@]1(C)Oc2ccc(NC(=O)c3ccncc3F)cc2O1 135269517 GFCFAGUBHTWSIW-INIZCTEOSA-N 302.305 3.370 0 40 DGAB CC[C@H](C)c1noc(C2CCN(C(=O)c3ccco3)CC2)n1 41122051 AMKODWHZJILZLV-NSHDSACASA-N 303.362 3.196 0 40 DGAB C[S@](=O)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 80522303 GBEALOAOGXUJRJ-SPLOXXLWSA-N 317.435 3.252 0 40 DGAB CCNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1OC 225482442 YRUPOUDFBCSKHE-UHFFFAOYSA-N 319.792 3.424 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80344640 AJGBCQPEMPUBKP-LSDHHAIUSA-N 313.328 3.339 0 40 DGAB CC[C@@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184771 PEHLUBXZHQQBAA-SNVBAGLBSA-N 307.781 3.237 0 40 DGAB Cc1cc(N2CCC(C)CC2)nc(NC(=S)NC(C)(C)C)n1 225896044 AODPYQSHWHJROI-UHFFFAOYSA-N 321.494 3.106 0 40 DGAB O=C(NCCc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 222610486 JVJRSJXGCFXBSM-UHFFFAOYSA-N 321.355 3.255 0 40 DGAB CCCn1nc(C)c(CNC2CC(C)(C)NC(C)(C)C2)c1C 97102380 LZIALJWAACKCNJ-UHFFFAOYSA-N 306.498 3.309 0 40 DGAB O=C(Cc1cccs1)N1CC[C@H](COCc2ccccc2)C1 96426046 DTMOFDWMOUHWDP-INIZCTEOSA-N 315.438 3.356 0 40 DGAB CN1CC[C@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(F)c(F)c1 95449204 GANGUXKHYQXJEF-GJZGRUSLSA-N 322.380 3.202 0 40 DGAB O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccco1 96480554 FTYZQURNGCCSRG-MRXNPFEDSA-N 323.348 3.106 0 40 DGAB COc1ccc(NC(=O)N[C@H](c2nc(C)cs2)C2CC2)cn1 96434015 JOAJYOXBLJGEKE-ZDUSSCGKSA-N 318.402 3.128 0 40 DGAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccccc2)nc1 257243031 IFFWCYVVIHHIMY-LJQANCHMSA-N 309.413 3.055 0 40 DGAB CO[C@H]1CCCOC12CCN(CCc1ccc(F)cc1)CC2 257250130 JLDHRVMPMYVNNB-KRWDZBQOSA-N 307.409 3.028 0 40 DGAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@@H](c2ccn[nH]2)C1 257274077 NJKKVGQCFSEIDY-GFCCVEGCSA-N 312.348 3.050 0 40 DGAB O=C(c1cc[nH]c1)N1CC(Cc2cccc(Br)c2)C1 585128472 BYNVWXCRJXDYHA-UHFFFAOYSA-N 319.202 3.092 0 40 DGAB COc1cccc(F)c1CN1CCC[C@@H](c2cnccn2)C1 257295974 RAQSTLXDOYJBMW-CYBMUJFWSA-N 301.365 3.004 0 40 DGAB CC[C@@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 585100443 KOMWWOCRNFRYAF-RHSMWYFYSA-N 321.490 3.289 0 40 DGAB CCc1ccc(C(=O)Nc2nc([C@@H]3CCCN3)cs2)cc1 585266742 PFUYUHZCUSDHPZ-ZDUSSCGKSA-N 301.415 3.382 0 40 DGAB O=C(Nc1cccc(-c2nccs2)c1)N1CCSCC1 48697690 RPHKNWLZAHHEHB-UHFFFAOYSA-N 305.428 3.391 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@H]21 57068054 NDEOJKBDLQZIEJ-HNJNHCNJSA-N 303.450 3.007 0 40 DGAB CCOC(=O)c1ncc(NC(=O)OC(C)(C)C)cc1Cl 66055039 MVNKJGSIEODENI-UHFFFAOYSA-N 300.742 3.259 0 40 DGAB COCCCNc1ncnc2c1sc1nc(C)c(C)cc12 12322983 IRIPEMHGSWYZOD-UHFFFAOYSA-N 302.403 3.305 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)N2C[C@@H](C)O[C@H](C)C2)c1C 12808332 IPOQZROWKAFQCJ-VXGBXAGGSA-N 318.442 3.405 0 40 DGAB O=C(c1ccco1)N1CCC[C@H](n2cnc3cc(F)ccc32)C1 13266363 XWNVXHJTQRFCQY-ZDUSSCGKSA-N 313.332 3.246 0 40 DGAB COc1ccnc(N[C@@H](C)c2cccc(Br)c2)n1 26710097 OXSYCDHFLAJUOW-VIFPVBQESA-N 308.179 3.421 0 40 DGAB COc1cccc(F)c1[C@H](C)NC1CCC2(CC1)OCCO2 156054698 GMNFOEDVEIYUHV-LBPRGKRZSA-N 309.381 3.171 0 40 DGAB CNC(=O)c1sc2ncccc2c1C1CCN(C(C)C)CC1 2037840233 JVQBTCGTAFQEMT-UHFFFAOYSA-N 317.458 3.244 0 40 DGAB COC(=O)c1ccc(OCCc2cccc(Cl)c2)c(N)c1 2037873489 PGIMZOCSBPOWME-UHFFFAOYSA-N 305.761 3.330 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1Cl 100084177 UAVBADNMGQAKFD-GNIGRLLJSA-N 313.784 3.206 0 40 DGAB CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N[C@H]1c1ccccc1 20494385 QHPMSQMNAPOMBZ-MJGOQNOKSA-N 322.408 3.238 0 40 DGAB CCCCC(=O)NC(=S)Nc1ccc(Cl)cc1C(=O)O 6263940 WAHIUIKXOHAPRD-UHFFFAOYSA-N 314.794 3.041 0 40 DGAB Cc1cc(C)n(C[C@H](O)COc2ccc(Cl)cc2Cl)n1 74273 KVOFLDCYFQEUDD-LBPRGKRZSA-N 315.200 3.247 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)CCNc2ccccc2C)no1 30232226 RXISVPLQMVRBCL-QGZVFWFLSA-N 313.401 3.457 0 40 DGAB O=c1c2ccccc2ncn1Cc1cccc(OC(F)F)c1 50234812 OGIXSSBGZJQHRZ-UHFFFAOYSA-N 302.280 3.046 0 40 DGAB CCN(CC)c1ccc(NC(=N)Nc2nc(C)cc(C)n2)cc1 104804 WXTLQMZLUYAQHH-UHFFFAOYSA-N 312.421 3.398 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)CCO1 11497309 PYZNICUUPUGZEM-GFCCVEGCSA-N 323.483 3.416 0 40 DGAB C[C@H]1CCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1 1701693 VPNANHREENRPSZ-KRWDZBQOSA-N 322.452 3.332 0 40 DGAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)c1 4305127 NIMLFKFFHIODPF-RLFYNMQTSA-N 305.462 3.329 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 6033238 ADJUDESOGUBWBB-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB C=CCOc1c(Br)cc(C(=O)O)cc1OCC 7604078 KVECIWHVESADGX-UHFFFAOYSA-N 301.136 3.111 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCO[C@@H](C)C1 11500274 XAQDAWUKRRBJJJ-VIFPVBQESA-N 308.428 3.041 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)N2CCc3sccc3C2)c1 10106668 LPJTWSXYHNLHLD-ZDUSSCGKSA-N 300.427 3.442 0 40 DGAB CN(Cc1ccco1)C(=O)CSc1ncnc2sccc12 29440800 XYYZDGWPOBAGOX-UHFFFAOYSA-N 319.411 3.035 0 40 DGAB CC(C)(C)OC(=O)NCCC(=O)Nc1cccc2cccnc12 8325606 NZLVHXBRGWQDRL-UHFFFAOYSA-N 315.373 3.088 0 40 DGAB Cc1ccc(NC(=O)c2ccc(N3CCCCCC3)nc2)nc1 29756770 FYRUPZZFYLMLQB-UHFFFAOYSA-N 310.401 3.418 0 40 DGAB O=C(CSC1=NCCS1)Nc1ccc(F)c(Cl)c1 417576 YJZYIYMLVNTGKO-UHFFFAOYSA-N 304.799 3.254 0 40 DGAB CN(C(=O)CCc1ccc2c(c1)OCO2)[C@H]1CCc2ccccc21 32905697 SBZWYFIVCOWGLS-KRWDZBQOSA-N 323.392 3.494 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1 55667948 VLNTTWJXGNKSBY-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB C[C@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1ccccc1 71921428 SIFGJUIQDBGHIN-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB COc1ccccc1-c1nc(-c2cccc(NC(C)=O)c2)no1 28221925 CLMGOUUTUIXSDI-UHFFFAOYSA-N 309.325 3.371 0 40 DGAB Cc1ccc(C)c(N2C(=O)[C@@H]3Cc4ccccc4CN3C2=S)c1 2789708 YQPSZGGZYRJTED-KRWDZBQOSA-N 322.433 3.362 0 40 DGAB CC[C@H](C)OC(=O)CCC(=O)Nc1nc2ccccc2s1 2749116 HRJVMOIQRIYHCK-JTQLQIEISA-N 306.387 3.357 0 40 DGAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccccc1Cl 22705956 UCRNIPTUPIJPMU-OAHLLOKOSA-N 314.772 3.003 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@@H]3CC[C@@H]1N3C(=O)C(C)C)O2 100209295 JXZYYFPMWQQSMX-SOVGHPHASA-N 313.397 3.118 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NCCOc1ccc(F)cc1 23142375 BFUHBJSMPDJMFK-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB Cc1ccc([C@H](C)NC(=O)c2ccc(-c3ccco3)[nH]c2=O)o1 75125378 HXDFNSXTKXJMMS-NSHDSACASA-N 312.325 3.027 0 40 DGAB C[C@H](NC(=O)c1cc(O)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 102999161 IQZIOBLUWYVRBK-KYEXWDHISA-N 310.397 3.495 0 40 DGAB COc1ccc(CN2CC(O)=C(c3nc(C)cs3)C2=N)cc1 102725038 KXGMWPFQSQUVIV-UHFFFAOYSA-N 315.398 3.222 0 40 DGAB O=C(COc1ccc(Oc2ccccn2)cc1)NCc1ccco1 24750613 MTXGZGBNVLLYCL-UHFFFAOYSA-N 324.336 3.162 0 40 DGAB C[C@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 20550604 WTRAMAOHPJAVCL-TVQRCGJNSA-N 302.201 3.220 0 40 DGAB Cn1ccnc1[C@H](NC(=O)CCc1ccccc1)c1ccccc1 12532226 NDVLCCJMIOKITB-LJQANCHMSA-N 319.408 3.259 0 40 DGAB COc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)n[nH]1 28241340 YDTVHPQSYKTYTN-UHFFFAOYSA-N 323.352 3.103 0 40 DGAB COc1cccc2c1O[C@H](C)C(=O)N(c1ccc(F)cc1C)C2 75165545 PRTZWIUTMTZILT-GFCCVEGCSA-N 315.344 3.457 0 40 DGAB C[C@H](NC(=O)c1cnns1)C(c1ccccc1)c1ccccc1 47831115 DCFZBHXYKKDWHL-ZDUSSCGKSA-N 323.421 3.489 0 40 DGAB CC1CCN(c2ccc(CNC(=O)C[C@H]3C=CCC3)cn2)CC1 58055335 GSMJRCJIYCQBED-INIZCTEOSA-N 313.445 3.290 0 40 DGAB CCCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3296768 DOKBIWPSZJEYTL-UHFFFAOYSA-N 315.744 3.437 0 40 DGAB CC(=O)c1cccc(NC(=O)/C=C/c2cnc3ccccc3n2)c1 10214171 IKPFXAFGYOQVRJ-MDZDMXLPSA-N 317.348 3.484 0 40 DGAB COCCNC(=O)c1ccc(-c2nc3ccccc3s2)s1 3292719 IRMWFNFYTBQVIX-UHFFFAOYSA-N 318.423 3.401 0 40 DGAB COc1ccccc1CNC(=O)N[C@H](C)c1nc2ccccc2[nH]1 58358167 OKCSXPCPZNMHRO-GFCCVEGCSA-N 324.384 3.132 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12626040 QGGZMBRRCHYGRA-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB Cc1cnc(NC(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)s1 48053961 JLUNKWASWCOTHN-ZDUSSCGKSA-N 322.409 3.015 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1OC 3330283 QHZPIRQCHXHRFM-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB O=C(c1ccccc1)c1nc2sc3c(c2c(=O)[nH]1)CCCC3 3353253 QWIQNTOJUKHKNE-UHFFFAOYSA-N 310.378 3.094 0 40 DGAB CCCCC[C@H](C)NC(=O)[C@H](NC(=O)c1ccco1)C(C)C 7813916 QGXDLTLMVZLBSM-DZGCQCFKSA-N 308.422 3.119 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCc1c[nH]c(-c2ccccc2)n1 13625857 NATCUOHGHOASEO-UHFFFAOYSA-N 323.371 3.117 0 40 DGAB COCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 15670850 FLTWLDJOJXPUDT-UHFFFAOYSA-N 300.383 3.080 0 40 DGAB Cc1nc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cs1 15832248 YFUYIFJQNZKVGX-VIFPVBQESA-N 310.806 3.189 0 40 DGAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccccn2)cc1 81329152 DXONSYKEWUFNGZ-GOSISDBHSA-N 324.424 3.254 0 40 DGAB Cc1nc(C)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)s1 6367033 QOIMWDMMHJCCCL-SECBINFHSA-N 322.361 3.083 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7669924 WALBHTZRFLSKRE-SWLSCSKDSA-N 324.833 3.041 0 40 DGAB CCOc1ccccc1NC(=O)c1cc(C)nc2onc(C)c12 14207665 MEBKWJUXMBVGCJ-UHFFFAOYSA-N 311.341 3.491 0 40 DGAB COc1ccc(NC(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)cn1 65986030 OYHUJUVFOPHOLH-DOOHLRMFSA-N 301.390 3.133 0 40 DGAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCCO4)cc3c2C1 6601506 ZNMNJFOICMRSPE-GXTWGEPZSA-N 312.413 3.202 0 40 DGAB Cc1nnc(COC(=O)C2c3ccccc3Oc3ccccc32)o1 6611977 WKFLCBGTFCIBKD-UHFFFAOYSA-N 322.320 3.359 0 40 DGAB COc1ccc2nc(SC[C@H](O)c3ccccc3)[nH]c2c1 4725910 XWKDOGHUYSOXKX-HNNXBMFYSA-N 300.383 3.397 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H](C)c2cn(C)nc2C)cc1C 69658024 RGADLTIKEPRYRY-LBPRGKRZSA-N 316.405 3.318 0 40 DGAB CCCn1ccnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 8754748 QZABTFCNLRFJPJ-UHFFFAOYSA-N 319.430 3.416 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)c2cnccn2)cc1 8879141 LNIXDSOLXIQZOB-QGZVFWFLSA-N 311.385 3.243 0 40 DGAB CCCC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 9217234 BJFSCUBGVUJLQX-UHFFFAOYSA-N 303.189 3.190 0 40 DGAB C[C@H](C(=O)Nc1cc(C(=O)O)ccc1F)c1ccccc1F 97036141 YJISXCMXOYNMIQ-VIFPVBQESA-N 305.280 3.405 0 40 DGAB Cn1c(=O)n(Cc2cc(-c3ccccc3)on2)c2ccccc21 25008907 JPYYMMFKVXNFRR-UHFFFAOYSA-N 305.337 3.043 0 40 DGAB CC[C@@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408163 XNAJDXNGXZSOOT-NEPJUHHUSA-N 312.360 3.029 0 40 DGAB CN(C1CCCCC1)S(=O)(=O)Cc1ccccc1Cl 20484113 ZXKLDZNIUVUOQI-UHFFFAOYSA-N 301.839 3.434 0 40 DGAB O=C(CCOCC(F)(F)F)NC1(c2ccc(Cl)cc2)CC1 71899821 FUZJENQGXHMKMN-UHFFFAOYSA-N 321.726 3.414 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 71828047 KCXMUROFPTZZOK-KGLIPLIRSA-N 303.431 3.486 0 40 DGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@H]1c1ccc[nH]1 71818773 YPQKSPXEBRMEEY-LRDDRELGSA-N 302.349 3.285 0 40 DGAB O=C(NCc1cccc(O)c1)c1cccn1Cc1cccs1 84374513 CTTXYZSPDXERRU-UHFFFAOYSA-N 312.394 3.234 0 40 DGAB CNC(=O)c1cccc(OC(=O)/C=C/c2cc3ccccc3o2)c1 75575296 JMGSTHKCBJDKLD-MDZDMXLPSA-N 321.332 3.411 0 40 DGAB CSC[C@@H](C)N(C)C(=O)Nc1cnn(Cc2ccccc2)c1 72542532 LQCZXYLOGRVWBE-CYBMUJFWSA-N 318.446 3.147 0 40 DGAB Cc1cccc(C2(C(=O)NC[C@H](C(=O)O)c3ccccc3)CC2)c1 95425556 NNSWQFVUMKJBLS-KRWDZBQOSA-N 323.392 3.011 0 40 DGAB O=C(Cc1ccn[nH]1)N[C@@H]1CCCOc2c1ccc1ccccc21 95409465 VHQIDDHBHOLGHS-QGZVFWFLSA-N 321.380 3.136 0 40 DGAB CCc1ccc([C@H](NC(=O)NCc2ccon2)C(C)(C)C)o1 95406331 JTFDUJZCRVLINT-AWEZNQCLSA-N 305.378 3.417 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 95426108 BEEVOXQZUPNMRI-KBPBESRZSA-N 306.406 3.002 0 40 DGAB CC1CCC(Oc2cc(CNCc3cnn(C)c3)ccn2)CC1 95959515 XPESIUZIWLINIS-UHFFFAOYSA-N 314.433 3.062 0 40 DGAB Cc1noc(C)c1CNC(=O)c1cccnc1Oc1ccccc1 95955191 MKYQYZRJXJXPED-UHFFFAOYSA-N 323.352 3.409 0 40 DGAB FC(F)(F)c1cccc([C@H]2CN(Cc3ccon3)CCO2)c1 78988440 UMKQTXLVODEOAC-CQSZACIVSA-N 312.291 3.267 0 40 DGAB CC[C@@H](C)N1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 1556627034 XLTAYXZUKVAVAR-HUUCEWRRSA-N 322.880 3.461 0 40 DGAB Cc1cccc(OCCNC(=O)CCCOc2ccccc2)c1 60612458 SNEOMKKLSUBBFT-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CS[C@@H]1c2c(cc(=O)[nH]c2-c2ccc(Cl)cc2)C(=O)N1C 62716517 TWBVZXNOMPGTLE-OAHLLOKOSA-N 320.801 3.143 0 40 DGAB COc1ccc(Cc2cncc3cc(O)c(OC)cc23)cc1O 1704001 APILTMYGCZCAQF-UHFFFAOYSA-N 311.337 3.254 0 40 DGAB biogenic O=C(CC1(Cn2cccc2)CCCCC1)NCCn1cccc1 524733235 ARLOIPNZEPQMRS-UHFFFAOYSA-N 313.445 3.447 0 40 DGAB O=C(c1cscn1)N1CC[C@H](Cc2cncc3ccccc23)C1 72368658 RCCATBVLIFMETH-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB COc1ccc(S[C@H](C)C(=O)Nc2cccnc2)cc1OC 216470997 NDNSCMMNJUHAQT-LLVKDONJSA-N 318.398 3.218 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1C 32585639 GTEHSIZFGFQIHN-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1cccnc1 72404701 LKDGTBIRHOUDSC-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB Cc1nc(Nc2cnccn2)cc([C@H]2CCCCN2C(C)C)n1 72382648 XSOJXSHZCIIYRI-OAHLLOKOSA-N 312.421 3.254 0 40 DGAB COC(=O)C[C@H](C)SCc1noc(-c2ccc(F)cc2)n1 78812976 HUOIFRMGSQMPTH-VIFPVBQESA-N 310.350 3.061 0 40 DGAB C=COCCNc1cc(CC)nc2c3c(C)cc(C)nc3nn12 72347826 JFHYJJXEHXIFAA-UHFFFAOYSA-N 311.389 3.029 0 40 DGAB CO[C@@H]1CCC[C@@H]1OC(=O)CCC(=O)c1ccc(F)cc1F 78985441 AMRWISRQJGAMGO-CABCVRRESA-N 312.312 3.038 0 40 DGAB Cc1cc(I)c(C)c2sc(N)nc12 40542213 UJVUCAXLTCXANC-UHFFFAOYSA-N 304.156 3.100 0 40 DGAB O=C(CCc1cccnc1)N1CC(c2ccc(Cl)cc2)C1 562714690 CEZZPBDYSUPBOX-UHFFFAOYSA-N 300.789 3.294 0 40 DGAB CC(C)c1nnc(NC(=O)c2cc3ccccc3n2C)s1 40285405 YHJRLLCCSKENSS-UHFFFAOYSA-N 300.387 3.406 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2ccccc2)cc1Cl 224118116 BTKXHQAJNXDNRP-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB CCOc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 225719420 YLUFISDVAAZADD-UHFFFAOYSA-N 322.364 3.039 0 40 DGAB CN(Cc1ccccc1)C(=O)N1CCCCC[C@@H]1c1ncon1 195571837 GPHOHMGTQJIGIY-OAHLLOKOSA-N 314.389 3.239 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C2=CCCCC2)CC1 195573482 YBTHPKQPIFDHFM-UHFFFAOYSA-N 313.397 3.314 0 40 DGAB CC[C@H](CNC(=O)N1C[C@@H](C)[C@H](CO)C1)c1ccc(Cl)cc1 225626395 QSXAXUDYFRGBIR-NFAWXSAZSA-N 324.852 3.103 0 40 DGAB Cc1ccc(C(=O)N2CCC3(CCCN3CC3CC3)CC2)o1 96049305 BZZJWSUWPCXXGZ-UHFFFAOYSA-N 302.418 3.069 0 40 DGAB O=C(CCN1CCCC[C@H]1C1(O)CC1)Nc1ccccc1Cl 576485587 AVPGRQXVBJNINT-HNNXBMFYSA-N 322.836 3.048 0 40 DGAB CCc1c(C(=O)OCc2nc(C)cs2)[nH]c(C)c1C(C)=O 96442935 DFRSSEBBCCTANT-UHFFFAOYSA-N 306.387 3.210 0 40 DGAB CC(C)=CC(=O)NCc1ccc(C(=O)Nc2ccnc(C)c2)cc1 96431027 CFTFVRPOYFNWLQ-UHFFFAOYSA-N 323.396 3.225 0 40 DGAB Cn1nc(C2CCCC2)cc1NC(=O)CCCc1nccs1 252498365 QZVCRABOAOTJFY-UHFFFAOYSA-N 318.446 3.496 0 40 DGAB Cc1nnc([C@@H](C)N2CCC3(CC2)OCCc2ccsc23)o1 542773967 KEDUVIUJACNPDB-LLVKDONJSA-N 319.430 3.065 0 40 DGAB CCN1CCN(C(=O)c2ccc(-c3ccc(C)cc3)nc2C)CC1 257173434 NGJBFEQJPXYNIS-UHFFFAOYSA-N 323.440 3.143 0 40 DGAB Cc1cnc([C@H](C)NC(=O)N2Cc3ccccc3O[C@H](C)C2)o1 644219983 UZMFXLWVOGDIGF-OLZOCXBDSA-N 315.373 3.037 0 40 DGAB CC(C)CCC(=O)N1CC2(C[C@H](OCC3CCCC3)CCO2)C1 575404113 LNZGILRWEYUBFH-QGZVFWFLSA-N 323.477 3.389 0 40 DGAB C[C@H]1CN(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CCC1(F)F 685543170 FVOMOVPSZSGNKR-WDEREUQCSA-N 312.364 3.363 0 40 DGAB C#CCN(Cc1ccc(F)cc1)C[C@@H](O)c1cc(F)ccc1F 65958149 KKLCWWKPCNOELC-GOSISDBHSA-N 319.326 3.273 0 40 DGAB c1ccc(OCCN2CCN(c3nc4ccccc4o3)CC2)cc1 67182896 NCCUROCZYCSKOD-UHFFFAOYSA-N 323.396 3.029 0 40 DGAB Cc1nsc(N2CCC[C@@H](c3nc4ccccc4o3)C2)n1 301498626 CNXBDBUJZONXDJ-LLVKDONJSA-N 300.387 3.372 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2ccccc2Cl)c1 5476681 LIARGEBMEXDXPJ-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CCC(=O)NCCCn1c(-c2cccnc2C)cc2cccnc21 12222077 MPZJOOKULYDJRA-UHFFFAOYSA-N 322.412 3.323 0 40 DGAB NC(=O)Nc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1 14208859 FVXRGGKHBMGAMK-UHFFFAOYSA-N 323.274 3.448 0 40 DGAB CC(=O)NC1CCN(CC2(c3cccc(F)c3)CCCC2)CC1 19021227 STHHSFJHHWAUTG-UHFFFAOYSA-N 318.436 3.238 0 40 DGAB O=C(c1ccccc1)N1CCC[C@@H]1c1n[nH]cc1-c1ccncc1 19368751 VYQBNTFMYFRJEZ-QGZVFWFLSA-N 318.380 3.449 0 40 DGAB O=C(C1CCC1)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19373903 XSUNBZBCMYKXQB-GUDVDZBRSA-N 312.457 3.313 0 40 DGAB CC[C@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(C)cc1 169294119 FPVOCSBUPCPYRH-HMDCTGQHSA-N 313.397 3.085 0 40 DGAB COCCNc1c(-c2ccc(OC)cc2)nc2c(C)cccn12 4848434 UTQDGFQZGDPMAN-UHFFFAOYSA-N 311.385 3.377 0 40 DGAB CC(=O)Oc1c(C)s/c(=N\c2ccc(C)c(C)c2)n1C(C)=O 5375698 FCYMOASPBMCATI-MSUUIHNZSA-N 318.398 3.293 0 40 DGAB O=C(C[C@H](SCCO)c1ccc2c(c1)OCO2)c1ccco1 2708380 NAQUPBNATUIZMR-INIZCTEOSA-N 320.366 3.048 0 40 DGAB COc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2C)C1=O 101275828 BQHRIVCACKCNRZ-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB Cc1cc(C)nc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1888890280 IHYNFYLTQUTWTN-UHFFFAOYSA-N 319.412 3.382 0 40 DGAB CN(C)C(=S)Oc1ccc(C(=O)Nc2ccc(F)cc2)cc1 46977 VNUAESLTGNEYSC-UHFFFAOYSA-N 318.373 3.303 0 40 DGAB CC(C)(C)OC(=O)NCc1ccc(-c2nnc3ccccn23)cc1 1775973424 BHNKNNZGJZOQED-UHFFFAOYSA-N 324.384 3.421 0 40 DGAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccnn1C(C)C)C2 40485073 YGCIJEWNSIVRTL-CQSZACIVSA-N 301.415 3.428 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1ccccn1 40459746 HDPQFGWXRSTLFH-UHFFFAOYSA-N 308.303 3.002 0 40 DGAB CC1(C)C[C@H](NCc2nc(Cc3ccccc3)no2)C(C)(C)O1 97100425 HEZLKORJMBLZGP-AWEZNQCLSA-N 315.417 3.096 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2c(=O)[nH]1 30014331 FSYJPLFQEZRPLA-LLVKDONJSA-N 324.405 3.349 0 40 DGAB CCc1nnsc1C(=O)N[C@H](C)Cc1ccccc1Cl 40107879 UXJJIPDEVNLBSZ-SECBINFHSA-N 309.822 3.115 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2ccc(N3CCCC3)nc2)c1 31314178 AHMJIJZUPDHPHT-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB Cc1ccc(NS(=O)(=O)C[C@]23CC[C@H](CC2=O)C3(C)C)cc1 143074 MMFXFLKTJGHJGF-CXAGYDPISA-N 321.442 3.132 0 40 DGAB Nc1cc2nn(-c3ccc(Br)cc3)nc2cc1Cl 570068 OORSNAOIKRNWDR-UHFFFAOYSA-N 323.581 3.419 0 40 DGAB C[C@@H]1CCCN(CCCCNC(=O)NCc2cccc(F)c2)C1 45593144 XGRHETVEGFJERI-OAHLLOKOSA-N 321.440 3.137 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccco2)cc1 2647515 GWRPTKWYAPUAGZ-CQSZACIVSA-N 309.412 3.024 0 40 DGAB CC[C@H](C)OC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 4056193 NDZZLQBHOVIQPG-RYUDHWBXSA-N 304.342 3.210 0 40 DGAB O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccccc1 6474627 VGFJXHKKISQHDS-UHFFFAOYSA-N 323.396 3.113 0 40 DGAB CC(C)n1ncc2cc(C(=O)N3CCc4ccccc4C3)cnc21 11763167 WRHVTKPABXXGNN-UHFFFAOYSA-N 320.396 3.211 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)c1csc(-c2ccccn2)n1 101903815 ASTDSDCTXNOKSE-XDJHFCHBSA-N 324.409 3.004 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCc2[nH]c3ccc(F)cc3c2C1 46359413 FEQSKHKKWRSGPW-ZDUSSCGKSA-N 316.376 3.151 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)NCc1ccccc1F 32827555 YOHRYTCAZSOHSS-UHFFFAOYSA-N 311.360 3.341 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@@H]1CC=CCC1 29897836 MTRQLZIKACHGSQ-HZPDHXFCSA-N 302.418 3.279 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCOC1 41373055 KJRXGZJDNDIMMY-NSHDSACASA-N 320.389 3.024 0 40 DGAB Cc1cccc(C)c1C(=O)c1ccccc1CN1CCN(C)CC1 22028192 YHSYINUUNGUDOQ-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CC[C@@H](Nc1ccc(C)c(C)c1)C(=O)Nc1nnc(C)s1 7460248 PYZOCNPCXJRIIS-CYBMUJFWSA-N 304.419 3.293 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](C)[C@@H]2CCCC[C@@H]21 41907296 YGVHLGWIBPQMQF-NUTKFTJISA-N 303.450 3.007 0 40 DGAB Cc1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@H]1C 22690324 IRFJKIJDEGJIGT-CQSZACIVSA-N 323.396 3.171 0 40 DGAB Cc1cc(C)n(C[C@H](C)NC(=O)c2cc3cc(F)ccc3o2)n1 71910527 CJXPOTBMNUZQNN-NSHDSACASA-N 315.348 3.204 0 40 DGAB O=C(NOCc1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 54953305 NPDPDSHRDSYLDS-UHFFFAOYSA-N 324.380 3.323 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 12592671 SVVCLNUQEAVBGR-JTQLQIEISA-N 305.765 3.183 0 40 DGAB CCN(CC)C[C@@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 107064374 LSAZOGMFNKMHGF-KGLIPLIRSA-N 308.470 3.092 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCOCc2ccccc2)c1 177056218 KZLZWMQYOUNYIY-INIZCTEOSA-N 313.397 3.095 0 40 DGAB CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(Cl)cc1Cl 58452490 DTEIUDIDNMBKAD-ZDUSSCGKSA-N 301.217 3.046 0 40 DGAB Cc1ccccc1-c1cc(N)n(CCOC(=O)CC(C)C)n1 58421101 YFKKSGBYYBYUAO-UHFFFAOYSA-N 301.390 3.030 0 40 DGAB CCc1cccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 7708587 DCIJAZGWSDHWED-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC=CCC1 62231046 TUADSHGSRJLZLJ-RBUKOAKNSA-N 312.457 3.371 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 409233756 WSMFYVWBLTWDKQ-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB COc1ccc(OCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 12866412 NOZUYOHBQCERAJ-GJZGRUSLSA-N 306.431 3.078 0 40 DGAB Cc1cc([C@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)no1 12935678 PZYXYLGIRNCEHB-MRXNPFEDSA-N 320.414 3.126 0 40 DGAB Cc1cc(C)n2ncc(C(=O)Nc3nc(C(C)C)cs3)c2n1 12947053 PSWHXBZRMDTQRC-UHFFFAOYSA-N 315.402 3.178 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CCN2CCSC2=O)cc1 8113395 WXVUOBSWDOYVQU-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ncnc3ccccc23)cc1C 8132340 HYXUULDSRAVNKQ-UHFFFAOYSA-N 313.382 3.047 0 40 DGAB O=C(/C=C/c1c(Cl)nc2ccccn12)N1CCCCCC1 8181452 IKSKUKQZWLBRNH-CMDGGOBGSA-N 303.793 3.404 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1cccc(-n2cccc2)c1 8190416 KAIRVVQNGLCHAB-UHFFFAOYSA-N 320.348 3.136 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1coc(-c2ccccc2)n1 6084678 MZPGMJAKCZQUKN-UHFFFAOYSA-N 304.305 3.138 0 40 DGAB C[C@H](Sc1nnc(-c2cccs2)o1)C(=O)NC1CCCC1 6462815 ISTRHKJOSJKKSK-VIFPVBQESA-N 323.443 3.338 0 40 DGAB OC1CCC(NCc2ccc(-n3cnc4ccccc43)cc2)CC1 8395465 HDAIEEVMYBJBEE-UHFFFAOYSA-N 321.424 3.419 0 40 DGAB Cc1nc(C(=O)Nc2ccccc2F)nn1-c1ccc(F)cc1 14122568 NSZIWLAIGUHALM-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@@H]2CC=CCC2)c(C)c1 14169988 NDVCUMRNTBSZJB-OAHLLOKOSA-N 300.402 3.023 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN1c2ccccc2C[C@@H]1C 6821040 GBRBYEQGKQLIAY-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)N1CC[C@H](Oc2cccnc2)C1 89794078 JNYCASWOAKDGSZ-SFHVURJKSA-N 323.396 3.256 0 40 DGAB CCc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1 408713409 XHDXDYHPGVITGV-UHFFFAOYSA-N 306.365 3.353 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)c3ccsc3)C2)no1 72232193 CXROZGMRUSTHFJ-NSHDSACASA-N 305.403 3.274 0 40 DGAB Cc1ccc(C(=O)NCCCCN2CCC(C)CC2)c(Cl)n1 95373570 KSIUIVFVCXXYER-UHFFFAOYSA-N 323.868 3.285 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)C[C@H]2CCc3ccccc32)no1 76043685 VHJRMFLNSWOVNB-ZBFHGGJFSA-N 311.385 3.162 0 40 DGAB Cc1cccc(-c2ccc(CNC(=O)C3CCNCC3)cc2)c1 95426567 KDOBLCNIHFXWSH-UHFFFAOYSA-N 308.425 3.278 0 40 DGAB CC(=O)N1CCCc2cc(C(=O)N3CC(C)(C)C3(C)C)ccc21 95413027 ORIMMFYFWSXAAR-UHFFFAOYSA-N 314.429 3.246 0 40 DGAB O=S(=O)(Nc1cccnc1)c1cc(C(F)(F)F)ccc1F 78556705 ACOUFIKGXKHKQP-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB CC(C)(C)[C@H](Cc1ccc(Cl)cc1)NC(=O)C1CCNCC1 95971138 WCTFOXFFAMPMNO-INIZCTEOSA-N 322.880 3.413 0 40 DGAB O=C(NCc1coc2ccccc12)c1cccnc1N1CCCC1 74664120 XQENDZBAKOTDTE-UHFFFAOYSA-N 321.380 3.358 0 40 DGAB Cc1cncc(C(=O)O[C@@H](c2ccccc2)c2nc(C)no2)c1 79706950 YXAMPZXUBXETGA-HNNXBMFYSA-N 309.325 3.028 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCCCC1)c1ccon1 128942364 KIXLGAMOTNAVDR-UHFFFAOYSA-N 302.349 3.446 0 40 DGAB O=C(NC[C@@H](c1ccccc1)C1CC1)c1c[nH]c2ncccc12 562082788 DPKXXKXQPUCPMH-INIZCTEOSA-N 305.381 3.487 0 40 DGAB O=C(Nc1ccccc1)N1CCC(COc2ccccn2)CC1 85357881 QNIBLYVXRXWGGT-UHFFFAOYSA-N 311.385 3.405 0 40 DGAB O=C(NC[C@H]1CC[C@H](O)C1)Nc1cc(-c2ccccc2)ns1 225595706 WPJFWQHMGSKREA-AAEUAGOBSA-N 317.414 3.093 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225206819 GCFCONRTNCLKKE-QWHCGFSZSA-N 324.852 3.382 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccc(C(F)(F)F)cc3)=NN[C@H]2C1 228939323 ISHDJVITTSGJRM-AAEUAGOBSA-N 310.319 3.387 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1F 225095576 OZLINNAXZHCISM-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](C(=O)O)C1 44135861 GJOKRYFZGOEKMG-KBPBESRZSA-N 323.364 3.251 0 40 DGAB COc1cc(N2Cc3ccccc3C2=O)ccc1NC(=O)C(C)C 226287564 FDKXJLRVFXOSIB-UHFFFAOYSA-N 324.380 3.450 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC([C@H](O)c2nccn2C)CC1 191073247 CRSBVLHKAIZWOD-JQHSSLGASA-N 317.477 3.158 0 40 DGAB CCCNC(=O)c1cc2nc(C(=O)O)n(C(C)C)c2cc1Cl 225730870 ADMYQIYXWKKXHO-UHFFFAOYSA-N 323.780 3.109 0 40 DGAB Cc1ccccc1N(C(=O)c1cncc(-n2ccnn2)c1)C(C)C 225778327 CZXVAIUYYYBCJM-UHFFFAOYSA-N 321.384 3.026 0 40 DGAB CSC[C@H](C)NC(=O)c1ncoc1-c1ccccc1Cl 96425243 DJASTGCGNZHZOK-VIFPVBQESA-N 310.806 3.476 0 40 DGAB Fc1cc(NCc2nccn2CC(F)(F)F)cc(F)c1F 96446945 VKQFETACUOXMCD-UHFFFAOYSA-N 309.213 3.475 0 40 DGAB CC(C)Sc1c(Cl)cccc1NC(=O)Cn1cncn1 96422398 IWLKUGVBTHWPDO-UHFFFAOYSA-N 310.810 3.071 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1(C)C 96450219 QBJROGQJYMXXPO-ZACQAIPSSA-N 321.461 3.021 0 40 DGAB C[C@@H]1C[C@H]1C(=O)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 96500895 WSCVARKLVSXGIA-QKCSRTOESA-N 313.319 3.261 0 40 DGAB Cc1nccn1CCCC(=O)N1CCCc2cccc(F)c21 96420464 MVPWLVBKGNKGKY-UHFFFAOYSA-N 301.365 3.090 0 40 DGAB COc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)c(C)n1 96470608 PSGFLMSNPURZTI-MRXNPFEDSA-N 312.369 3.041 0 40 DGAB C[C@@H]1CC[C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C[C@H]1C 245339445 SWSKWWRQKNSNKY-IJLUTSLNSA-N 314.380 3.244 0 40 DGAB CCCn1nccc1-c1cnc(C[C@@H]2CCN(C(C)C)C2)cn1 257274967 NNKWMHLCWLUXNK-HNNXBMFYSA-N 313.449 3.023 0 40 DGAB Cc1nc(-c2ccccc2C(=O)O)cc([C@H]2CCCCN2C)n1 257292324 QKZCBOMQCURRLK-QGZVFWFLSA-N 311.385 3.307 0 40 DGAB CC(=O)NC(C)(C)c1noc(-c2cc(C)oc2C(F)(F)F)n1 585133347 GCQSRMCKLFASMA-UHFFFAOYSA-N 317.267 3.028 0 40 DGAB c1ccc(C2(c3nc(-c4ccc5c(c4)CCO5)no3)CC2)nc1 585136424 FNRDQVJOFXJYRC-UHFFFAOYSA-N 305.337 3.146 0 40 DGAB CC(C)c1nn(C)cc1NC(=O)N(C)C[C@H](C)c1nccs1 280653846 CMEDFPCMNZWMNA-NSHDSACASA-N 321.450 3.267 0 40 DGAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccoc3)cc2)C1 96122495 VSMABIQQBNNSMZ-INIZCTEOSA-N 300.358 3.147 0 40 DGAB COc1ccccc1[C@H](CNC(=O)c1ccccc1Cl)OC 96384482 GTBMVPQBHZHPRJ-INIZCTEOSA-N 319.788 3.466 0 40 DGAB C[C@H]1CCCN(C(=O)C2CCN(Cc3cccc(F)c3)CC2)C1 48045872 PBMNSNUBQSBXFP-HNNXBMFYSA-N 318.436 3.296 0 40 DGAB O=C(OCCCC(F)(F)C(F)(F)Br)C(F)F 1083809816 NQGXVNCQICUYPI-UHFFFAOYSA-N 317.023 3.198 0 40 DGAB COc1ccccc1-c1cc(O)n(-c2nc3ccccc3[nH]2)n1 14607931 KAWAGBQJEHFQLS-UHFFFAOYSA-N 306.325 3.130 0 40 DGAB COc1ccc2c(c1)CCCN2c1nc(Cl)nc(Cl)n1 152532 OTJHFJPQHPWROS-UHFFFAOYSA-N 311.172 3.271 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc3ncccc23)cn1 26986244 WHRUNVZHGHSJRB-LBPRGKRZSA-N 322.368 3.078 0 40 DGAB O=C(Cc1cc(Cl)cc2c1OCOC2)Nc1ccccc1 29057299 JQOBHTITDICKQM-UHFFFAOYSA-N 303.745 3.388 0 40 DGAB CN(Cc1ccccc1Cl)S(=O)(=O)c1cccc(F)c1 25653800 RNUMVUCZJWQFKO-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB Cc1nc(CCNC(=O)c2ccc(C(F)(F)F)cc2)cs1 4166940 LWXPQHCQDPFZRF-UHFFFAOYSA-N 314.332 3.443 0 40 DGAB c1ccc2oc(N3CC(N4CCc5sccc5C4)C3)nc2c1 1775971446 OLKPTBYILVPDBT-UHFFFAOYSA-N 311.410 3.136 0 40 DGAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1ccc(Cl)s1 575612812 CIVIDCNEHOXNAY-JTQLQIEISA-N 321.789 3.210 0 40 DGAB CC[C@H](C(=O)NCCn1cc(-c2ccoc2)cn1)c1ccccc1 575615055 MBLZQVYWSKWIMW-SFHVURJKSA-N 323.396 3.453 0 40 DGAB Cc1noc(C)c1CN1CCC(O)(c2ccc(Cl)cc2)CC1 1207133603 YFOBSFYDYKIVNN-UHFFFAOYSA-N 320.820 3.428 0 40 DGAB O=C(c1csc2nc(-c3ccc(F)cc3)cn12)N1CCCC1 11902518 YBBKSWACWHIRQU-UHFFFAOYSA-N 315.373 3.438 0 40 DGAB OCC[C@@H]1CCCCN1Cc1cc(Br)ccc1F 50104901 FCGROXLJABOIMD-ZDUSSCGKSA-N 316.214 3.325 0 40 DGAB C[C@@H]1CCCCN1C(=O)/C=C/c1c(Cl)nc2sccn12 40159695 HNGXLJPDCCSUEK-BRAIEQGRSA-N 309.822 3.463 0 40 DGAB CSc1nnc(-c2cc3c(C(F)(F)F)nn(C)c3s2)o1 1401896 QTAQNNKNORBVRL-UHFFFAOYSA-N 320.321 3.426 0 40 DGAB Cc1cc(C(=O)Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 36615999 GVNVGRSSCXIANJ-UHFFFAOYSA-N 314.776 3.491 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)c(F)c1 40526207 IEOWTSTUJIXEIS-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB O=C(CSc1ncnc2ccccc12)Nc1ccccc1F 3253745 QYHQCNBDGWCWAL-UHFFFAOYSA-N 313.357 3.500 0 40 DGAB C[C@H](Nc1ccncc1NC(=O)c1ccsc1)[C@@H]1CCCO1 75141623 BAFWQDYIKFDVEC-NHYWBVRUSA-N 317.414 3.375 0 40 DGAB CCc1n[nH]c(Sc2nc3cc(C)nn3c3ccccc23)n1 32803877 CZSZSVHZGXEYKV-UHFFFAOYSA-N 310.386 3.023 0 40 DGAB Oc1nc2c(-c3ccc(F)cc3Cl)nnn2c2ccccc12 2691595 YXMMQPRCIGKIRO-UHFFFAOYSA-N 314.707 3.443 0 40 DGAB NC(=O)c1ccc(CNCCc2ccc(Cl)cc2Cl)cc1 19233063 SDIBDPAKUZNNSR-UHFFFAOYSA-N 323.223 3.425 0 40 DGAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(F)c4)cc1c32 101078511 UVLPSRVEWMWTRG-LLVKDONJSA-N 324.355 3.474 0 40 DGAB Oc1ccc(N2CCN(c3nc4ccccc4s3)CC2)cc1 23296078 WIOKXDTUMRZMFX-UHFFFAOYSA-N 311.410 3.329 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)c2ccccc2F)c1OC 23544160 GVCGVRGVVPTHQK-NSHDSACASA-N 303.333 3.334 0 40 DGAB COC(=O)c1ccccc1NC(=O)COc1c(C)cccc1C 1001776 SXTAUDLQECOSLH-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CN(C(=O)CC1CCCCC1)C1CCN(c2ccccn2)CC1 69417405 LQJXFAPTUWLBJV-UHFFFAOYSA-N 315.461 3.479 0 40 DGAB CCCCOC(=O)C[C@H](OCCCC)C(=O)OCCCC 34104272 GGAWXQQNQGESAW-AWEZNQCLSA-N 302.411 3.248 0 40 DGAB COc1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1 1391417 FUJFWINSUVLLQE-UHFFFAOYSA-N 312.247 3.000 0 40 DGAB CCCCCC[C@@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 24969086 UXAYELGUDIEYER-GFCCVEGCSA-N 304.390 3.106 0 40 DGAB C1C[C@@H]2[C@H]3[C@@H]4[C@H]5[C@@H]2[C@H]1O[C@H]1C[C@]15[C@@H]1[C@@H]2CC[C@H]5O[C@H]6C[C@@]63[C@H]([C@@H]25)[C@H]41 104288617 JBQGDLRPBXUISA-IKCMJUDCSA-N 322.448 3.105 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(Cl)c3cccnc23)no1 25139015 RHLWXJVQLOPZSE-UHFFFAOYSA-N 315.760 3.457 0 40 DGAB CCN(CC)C(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 12535078 DOVHSFHTBPBJQH-UHFFFAOYSA-N 307.394 3.176 0 40 DGAB C[C@H](NC(=S)N[C@@H]1CCCc2c1cnn2C)c1ccccc1 44137711 QLIWWAJXXVHSNZ-SWLSCSKDSA-N 314.458 3.023 0 40 DGAB COc1cccc(-c2cc(C(=O)NCc3cccc(C)c3)n[nH]2)c1 57413827 UFXFCINVPGRWNU-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)CC(F)(F)F)cc1F 57356462 UAISWPKKLIXBNN-UHFFFAOYSA-N 301.243 3.211 0 40 DGAB Cc1c(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)cnn1C 27280595 NUDZSFDXYOBTCO-IAQYHMDHSA-N 313.401 3.250 0 40 DGAB O=C(Nc1ccccc1O)c1ccc(N2CCCCC2=O)cc1 9609855 RVSJWILVKWIHAE-UHFFFAOYSA-N 310.353 3.161 0 40 DGAB CCN(CC)[C@@H](CNC(=O)C1CCCC1)c1cccc(OC)c1 23182509 VEUBQXBLCRAEQQ-SFHVURJKSA-N 318.461 3.385 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2F)c1C 10026160 JKORBOMFUXLRGH-UHFFFAOYSA-N 302.349 3.245 0 40 DGAB Fc1cccc(-c2nnn(CCCc3nc4ccccc4o3)n2)c1 58158451 HQVFSAGTEXRGBO-UHFFFAOYSA-N 323.331 3.253 0 40 DGAB CN(C)c1cccc2oc3c(cnn3-c3ccccc3)c(=O)c12 68605858 FBGJCNYLCFPZKP-UHFFFAOYSA-N 305.337 3.198 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N1CCCc2ccccc21 3318484 UFAMCOGTBZVOKR-UHFFFAOYSA-N 315.394 3.193 0 40 DGAB Cc1cnc(NC(=O)c2cccnc2SC(F)F)s1 10624391 VFGZSDXUMCMJNU-UHFFFAOYSA-N 301.343 3.414 0 40 DGAB CCc1cccc(CC)c1NC(=O)c1nc2nc(C)cc(C)n2n1 3371246 JVOAQRFVGZIJBJ-UHFFFAOYSA-N 323.400 3.118 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)c1cc(=O)[nH]c2ccccc12 13005738 ISWDDVYHEHPSKU-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N2CCCCCCC2)C1 63258521 WFFSLSBDTQIJPA-HNNXBMFYSA-N 308.466 3.064 0 40 DGAB Cc1cc2cc(NC(=O)Cc3ccc4c(c3)OCO4)ccc2[nH]1 69653285 IKGVBJJJYIIQBR-UHFFFAOYSA-N 308.337 3.386 0 40 DGAB O=C(CCSC[C@@H](O)c1ccccc1)Nc1ccccc1 69738886 PRTIKCHWAKFEPO-MRXNPFEDSA-N 301.411 3.482 0 40 DGAB C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 6376942 JIZPHILUPZWRTL-SNVBAGLBSA-N 310.781 3.186 0 40 DGAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@H]1C1CCCC1 65488477 IEYREXIVJUDMQK-KRWDZBQOSA-N 310.397 3.323 0 40 DGAB CCC(CC)NC(=O)c1ccc(OC)c(Br)c1 14189280 GWQWORHWRGFCOJ-UHFFFAOYSA-N 300.196 3.376 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(F)c(F)c1 14164470 JIQQFTFSONOILW-BJOHPYRUSA-N 305.280 3.132 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@H]3CCCO3)s2)cc1 6758910 BNQRBXDAQHGFEV-CQSZACIVSA-N 316.426 3.336 0 40 DGAB C[C@H](Sc1ccc2ccccc2n1)C(=O)NC[C@@H]1CCCO1 8710631 BPOPHRVLUZCEHZ-JSGCOSHPSA-N 316.426 3.011 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccc(Cl)cc2)C1 67801162 KIVCWXSGPCIKQE-CQSZACIVSA-N 310.825 3.439 0 40 DGAB CN1CCN(Cc2c(-c3ccc(F)cc3)[nH]c3ncccc23)CC1 19590055 UIPCPJZBXRXMOJ-UHFFFAOYSA-N 324.403 3.116 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(C3CCCCC3)n[nH]2)C(C)(C)CO1 91115102 GRXACCILHHOCOJ-GFCCVEGCSA-N 305.422 3.097 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8140566 YZSURAFQNQHSNH-YOEHRIQHSA-N 314.429 3.051 0 40 DGAB CCN1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 8275908 DMTDVNHHYWDIHE-UHFFFAOYSA-N 318.424 3.439 0 40 DGAB COc1ccccc1C[C@H]1CCCN1C(=O)Nc1cc(C)on1 69676482 QNHDTMYYOCPROK-CQSZACIVSA-N 315.373 3.231 0 40 DGAB Cc1nnc([C@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 71819477 SBKSUPGUZNDPLY-HZMBPMFUSA-N 307.781 3.166 0 40 DGAB CC(C)c1ccccc1NC(=O)Nc1cnn(CCN(C)C)c1 71846724 LDWGEEYBYIJXHP-UHFFFAOYSA-N 315.421 3.212 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(OC)cc1Cl 71853972 KTXYIWVYCWKADG-GFCCVEGCSA-N 312.797 3.381 0 40 DGAB O=C(NCCSc1ncccc1Cl)OCC(F)(F)F 71804192 MUQWDKVKZGPETQ-UHFFFAOYSA-N 314.716 3.116 0 40 DGAB COc1c(C)cnc(CN2CCC[C@H](c3cc(C)[nH]n3)C2)c1C 84111293 HIUJZWZECMKKGM-HNNXBMFYSA-N 314.433 3.118 0 40 DGAB COc1cccc(CN(C)C(=O)c2cccc(-n3ccnc3)c2)c1 72287242 GMJFLXYUWWNUKT-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H](c3noc(C)n3)C2)c(C)o1 72231657 FWKREDLRZWTWHE-RISCZKNCSA-N 317.389 3.098 0 40 DGAB O=C(C[C@@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 97147804 PHGPSHNUTNKYMQ-HNNXBMFYSA-N 303.377 3.401 0 40 DGAB C[C@@H](NCc1ccc(-n2ccnc2)nc1)c1cc(F)cc(F)c1 89904553 YCIXVHLABYEJIP-GFCCVEGCSA-N 314.339 3.396 0 40 DGAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Cl)cn1 95430446 NTVSZKNVGMSVFG-LLVKDONJSA-N 304.777 3.144 0 40 DGAB Cc1ccc([C@H]2CCCCN2C(=O)CCn2ccccc2=O)cc1 76022074 ISTPSNBQPFESQK-GOSISDBHSA-N 324.424 3.301 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2ccc(F)cc2)c1 95422672 FWXFGNMKMLDFDO-XIKOKIGWSA-N 319.376 3.227 0 40 DGAB Cc1ccc(CNC(=O)N(C)Cc2cc(Cl)cn2C)s1 95411101 NHDWPCBJUXIZJN-UHFFFAOYSA-N 311.838 3.390 0 40 DGAB O=C(Nc1ccc(F)cc1)c1ccc(CNc2ncccn2)cc1 95415066 WBDXGPNCAXDFCP-UHFFFAOYSA-N 322.343 3.480 0 40 DGAB Cc1cc(C(=O)Nc2cccn(Cc3ccccc3)c2=O)c(C)o1 88266644 PHFYEBRXJGTYNY-UHFFFAOYSA-N 322.364 3.359 0 40 DGAB CC(C)SCc1cccc(NC(=O)N[C@@H](C)c2nc[nH]n2)c1 95995569 OFNUCEPVDWFXST-NSHDSACASA-N 319.434 3.329 0 40 DGAB Cc1cccc(C)c1CN(Cc1ccccc1)S(C)(=O)=O 95960646 CBEPLXWCJXLUQR-UHFFFAOYSA-N 303.427 3.265 0 40 DGAB Cn1nnc2cc(NC(=O)Oc3ccc(Cl)cc3)ccc21 409129982 VQKXHVNUXWEASC-UHFFFAOYSA-N 302.721 3.233 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)C1(c2ccccc2)CCC1 32784335 HVINVQLCOMKDCG-UHFFFAOYSA-N 309.365 3.153 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)N(C)Cc2ccccn2)cc1 76959866 YDEKFPNVYWDRGB-CYBMUJFWSA-N 316.426 3.229 0 40 DGAB CCOC(=O)c1cc(=NCc2ccccc2)[nH]c2ccccc12 522891904 DEAXOFODODMLOM-UHFFFAOYSA-N 306.365 3.446 0 40 DGAB Cc1ncc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)o1 528013193 WAVMDVRGTBGPKM-CQSZACIVSA-N 305.765 3.123 0 40 DGAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1C 38771454 KCHZSBJOCMITDO-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB COc1cc(OC)cc(C(=O)NC(C)(C)Cc2ccccc2)c1 40621006 GLORBSLMLFCNPM-UHFFFAOYSA-N 313.397 3.455 0 40 DGAB COc1cccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)c1 225028829 QPLUTOHWPSOJDZ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CSCc1cccc(C(=O)NCCN2CCC(C)CC2)c1 40108073 MLSHJRMSKZJLEL-UHFFFAOYSA-N 306.475 3.011 0 40 DGAB CC(C)CO[C@H](C)C(=O)N1CCN(c2cccc(Cl)c2)CC1 42723047 CDJJFRGFRCUQBU-CQSZACIVSA-N 324.852 3.050 0 40 DGAB COc1ccccc1OC[C@@H](C)NC(=S)Nc1ccccc1 225784893 FUGCPBHNHNAECK-CYBMUJFWSA-N 316.426 3.449 0 40 DGAB COc1cccc(-c2nnsc2C(=O)N2CCCCCC2)c1 225767239 RMTNBONOFBKGGI-UHFFFAOYSA-N 317.414 3.230 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1 41123123 KXUHXTIYMSFMFP-INIZCTEOSA-N 313.401 3.025 0 40 DGAB CCOC(=O)c1cnc2c(OC)cc(C)cc2c1Br 85386365 RYTWJCRZAYRGED-UHFFFAOYSA-N 324.174 3.491 0 40 DGAB Cc1sc(CS(C)(=O)=O)nc1-c1ccc(Cl)cc1 96417542 POUIRWOUWUMRNZ-UHFFFAOYSA-N 301.820 3.317 0 40 DGAB Cc1cc(C)c(/C=C/S(=O)(=O)Nc2ccccn2)c(C)c1 96191931 COUNSCADBIIPMZ-VQHVLOKHSA-N 302.399 3.419 0 40 DGAB Cc1cccc(CNc2ccc(NC(=O)CCN(C)C)cc2)c1 96482815 DHUYHQODCIJJKG-UHFFFAOYSA-N 311.429 3.497 0 40 DGAB C[C@H]1NC(=S)N(c2cccc(COC3CCCCC3)c2)C1=O 96134076 DEDAAAITRNZRPR-GFCCVEGCSA-N 318.442 3.146 0 40 DGAB C[C@H]1COC2(CCN(C(=O)NC3CCCCCCC3)CC2)O1 96415174 JSNLILUWFWDRRB-AWEZNQCLSA-N 310.438 3.036 0 40 DGAB COc1c(F)cc(NC(=O)N[C@@H]2CC[C@H](SC)C2)cc1F 96434191 JRBIOIKDHGBJNE-SCZZXKLOSA-N 316.373 3.379 0 40 DGAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NC(C)(C)C 253395116 BPPRHNCLORPYHF-VIFPVBQESA-N 306.337 3.062 0 40 DGAB biogenic,in-vitro CCCn1c(C)nnc1CN1CCC[C@@H](Cc2ccccc2)C1 378310553 GGPUHZNOTTXUGE-SFHVURJKSA-N 312.461 3.451 0 40 DGAB Cn1cc([C@H](O)CNC(=O)Nc2cccs2)c2ccccc21 96096554 VEJHAJLSCZCLMP-CQSZACIVSA-N 315.398 3.095 0 40 DGAB CN(c1ccccc1)C1CCN(C(=O)/C=C/c2cccnc2)CC1 57252227 CMFQDMQPDYJWHH-MDZDMXLPSA-N 321.424 3.222 0 40 DGAB CCn1c(C)cc(C(=O)N(C)c2ccc(OC)c(OC)c2)c1C 63832213 VAVIAOPYPOJIKJ-UHFFFAOYSA-N 316.401 3.419 0 40 DGAB Cc1nccc(CN2CCC(c3nc4ccccc4[nH]3)CC2)n1 72348197 NLBYJXNYUNYILD-UHFFFAOYSA-N 307.401 3.041 0 40 DGAB Cc1nc(C)c(CN2CC[C@H](Oc3ccncc3C)C2)s1 1206192115 HQKCMDUKSNCLPG-AWEZNQCLSA-N 303.431 3.117 0 40 DGAB CC(=O)N1CC2(CCN(C(C)C)CC2)C[C@H]1Cc1ccccc1 1615152099 AMQDFXOSGADLQH-LJQANCHMSA-N 314.473 3.341 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)C(=O)NC1CCCCCC1 5251490 CABUHYPEXFIDRQ-UHFFFAOYSA-N 308.809 3.426 0 40 DGAB O=C(NC1(C(=O)O)CCCC1)c1c(Cl)cccc1Cl 12357196 DAZVZGMXVDHHRB-UHFFFAOYSA-N 302.157 3.121 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104753 SOQWQZZNPGBTQR-YDOJUKJESA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro Cc1cnccc1O[C@@H]1CCN(c2nnc(C(C)C)s2)C1 1889091499 BDDCGBGFABAHPE-GFCCVEGCSA-N 304.419 3.023 0 40 DGAB Cc1cc2occ(CC(=O)N3C[C@H](C)O[C@H](C)C3)c2cc1C 30807301 WRUXWEHSNACVBU-OKILXGFUSA-N 301.386 3.228 0 40 DGAB COc1ccc([C@@H]2CCCN2[C@H](C(N)=O)c2ccccc2)cc1 36408661 JNUDRXJXTSTTNA-ROUUACIJSA-N 310.397 3.059 0 40 DGAB O=C(C1CC1)N(C[C@@H]1CCCO1)c1nc2c(F)cccc2s1 10884277 OUCQFZWOJLOAAH-NSHDSACASA-N 320.389 3.357 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccsc1 13011216 IUUXLUZHMQGWQD-AWEZNQCLSA-N 308.834 3.434 0 40 DGAB Clc1cnc(NCC2(c3ccsc3)CCOCC2)nc1 1775971369 ZKCBGIIFIFBECJ-UHFFFAOYSA-N 309.822 3.352 0 40 DGAB CC(C)=CCC/C(C)=C/CC[C@H](C)NCCN1CCNCC1 19939580 UDVLXVKLNWJVCX-XSORJCKLSA-N 307.526 3.343 0 40 DGAB Fc1ccc(-c2csc3ncnc(N4CCOCC4)c23)cc1 137154 ALAFHDHLUWCYIT-UHFFFAOYSA-N 315.373 3.334 0 40 DGAB COC(=O)C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl 31377160 UCVKCKNZKUCYJG-WFASDCNBSA-N 321.804 3.417 0 40 DGAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccccc1 1749885 WWXZCTKWQCLPOQ-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 4081875 WSCUHXPGYUMQEX-KDVPRLBCSA-N 302.414 3.058 0 40 DGAB biogenic CCCNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 4433436 RHLMKIXILWKZBH-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB O=C(Nc1c(O)c2ccccc2oc1=O)c1ccc(Cl)cc1 6822941 WELKDPZNBVVZKS-UHFFFAOYSA-N 315.712 3.404 0 40 DGAB c1ccc(Cc2nnc(N3CC[C@@H]4OCCC[C@H]4C3)s2)cc1 108467869 UVHTZHBLLALPPK-GJZGRUSLSA-N 315.442 3.134 0 40 DGAB Cc1nc(SCC(=O)N[C@H](C)c2cccs2)nc(C)c1C 7252824 RMBOTQJJSSVMMB-GFCCVEGCSA-N 321.471 3.433 0 40 DGAB O=C(OC[C@H]1CCCO1)c1ncoc1-c1ccccc1Cl 76090268 BTSYVPSIMVIOCG-SNVBAGLBSA-N 307.733 3.331 0 40 DGAB CC1CCN(CCCNC(=O)NCc2cccc(Cl)c2)CC1 32862397 RUEKZHHIKVMJIV-UHFFFAOYSA-N 323.868 3.261 0 40 DGAB CN1C(=O)CC[C@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 57355892 DADDJZGOYAUTLZ-XJKSGUPXSA-N 320.458 3.107 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCC(C)(C)N2CCCCC2)cc1 41297631 WDSATKZLTKEDHR-MRXNPFEDSA-N 318.461 3.143 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCCCC3)o2)n1 2743237 VKAZHXWZKYDTKT-UHFFFAOYSA-N 301.390 3.157 0 40 DGAB CCc1oc(C(=O)N(C)c2ccccc2C(=O)OC)cc1C 83817477 KHJKJSGFKBOOMP-UHFFFAOYSA-N 301.342 3.214 0 40 DGAB CC[C@@H](N[C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O 71902572 YCODENVLHVCKIP-GXFFZTMASA-N 303.431 3.033 0 40 DGAB CCO[C@@H]1C[C@H]1C(=O)Nc1nc2ccccc2n1-c1ccccc1 71933960 IYULYENSPSURMV-RHSMWYFYSA-N 321.380 3.389 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)Cc2ccccc2F)c(OC)c1 53192176 XMCVCVGRYJMOSZ-LBPRGKRZSA-N 317.360 3.204 0 40 DGAB Cc1cccc2cc3c(nc12)N(S(=O)(=O)c1ccccc1)CC3 15842051 DJTLKZVZFWUUBM-UHFFFAOYSA-N 324.405 3.295 0 40 DGAB COc1cc([C@@H](C)N[C@@H]2CCN(C(C)C)C2=O)ccc1SC 89729412 AIHKBARRUJRGPM-TZMCWYRMSA-N 322.474 3.077 0 40 DGAB CC(C)c1cccc(N2C[C@@H](C(=O)Nc3ccncc3)CC2=O)c1 23021142 WUFMATKQZMFRHR-HNNXBMFYSA-N 323.396 3.197 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 104624531 BGCODIHFSIVSQR-YDHLFZDLSA-N 300.402 3.153 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F 89774551 XMOKYXXKIQVHQO-KGLIPLIRSA-N 315.335 3.164 0 40 DGAB C[C@@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20549075 XFLUILIYAOXTNV-RULNRJAQSA-N 303.233 3.102 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 24868273 JLQCNTMQHCXRKQ-MRXNPFEDSA-N 314.429 3.444 0 40 DGAB CCNC(=O)NCc1cccc(NC(=O)c2ccc(C)cc2)c1 55339019 RHPWRMMLLFGWJH-UHFFFAOYSA-N 311.385 3.066 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)NCCc2cccs2)on1 43310127 YQPBUHJMOFPISU-CYBMUJFWSA-N 305.403 3.134 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)NCc2nccs2)s1 106537449 NZPJPCVGHIMYSX-SECBINFHSA-N 310.448 3.119 0 40 DGAB CC(=O)Nc1ccc(NC(=O)NCCc2ccccc2F)cc1 43653640 HXVMHKNHLPUNNT-UHFFFAOYSA-N 315.348 3.148 0 40 DGAB c1cc2c(cc1[C@@H]1CCCN1c1nc(C3CC3)no1)OCCO2 89800415 SVCZZHQSYCZYSO-ZDUSSCGKSA-N 313.357 3.060 0 40 DGAB Clc1cc(CNCCCO[C@@H]2CCOC2)c2ncccc2c1 89807812 GGANZAUAFHPUHK-MRXNPFEDSA-N 320.820 3.173 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)NCCc1cccs1 26524057 NGDOQBYOAZHLLP-UHFFFAOYSA-N 318.442 3.319 0 40 DGAB CCC(CC)C(=O)OCC(=O)Nc1ccc(Cl)cc1F 3272909 NNOMZXWNGQMBHT-UHFFFAOYSA-N 301.745 3.397 0 40 DGAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1cccc2cccnc12 62001494 OKWNDTMHYVBTOU-ICSRJNTNSA-N 315.376 3.159 0 40 DGAB biogenic CCC1(CC)[C@H](N[C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H]1OC 108490615 REFHWWMASNIYCA-FPCVCCKLSA-N 313.507 3.224 0 40 DGAB FC(F)(F)c1cc2[nH]cnc2cc1I 306570465 YRCAQIARHOEUIN-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB CC(C)c1noc([C@H](C)Nc2ccc(Cl)c(C(N)=O)c2)n1 26994991 JOXVJZWJRKXYBF-QMMMGPOBSA-N 308.769 3.118 0 40 DGAB CCCOC(=O)c1ccc(OC(=O)c2ccccc2)c(OC)c1 2069812 HEWRNYGZQBVUDG-UHFFFAOYSA-N 314.337 3.481 0 40 DGAB CCc1noc([C@@H](C)N(C)Cc2nc3ccccc3s2)n1 58007676 FMQKBDWZGVLHRH-SNVBAGLBSA-N 302.403 3.435 0 40 DGAB COC(=O)CCCCNC(=O)c1ccc(Cl)cc1Cl 58006053 PEWNNESUTYPPGP-UHFFFAOYSA-N 304.173 3.067 0 40 DGAB CCc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1 58114909 LKTMIONGRAHPIT-UHFFFAOYSA-N 316.430 3.060 0 40 DGAB CC(C)Cc1nnc(NC(=O)c2cccc3c2ccn3C)s1 36357848 XQVBDKHMLXOJEX-UHFFFAOYSA-N 314.414 3.481 0 40 DGAB Nc1nnc(SCc2cccc(OCC(F)(F)F)c2)s1 48705431 HZBSZLXLZFLFRW-UHFFFAOYSA-N 321.349 3.354 0 40 DGAB COc1ccc(-c2cn3cccnc3n2)cc1NC(=O)C(C)(C)C 4033117 KJOMKBKOHIIZAG-UHFFFAOYSA-N 324.384 3.390 0 40 DGAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1ccccn1)C3 13691998 AJORHRJXQVGFGS-UHFFFAOYSA-N 308.337 3.107 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1)c1ccccc1 5029919 CSBOPSYQDDROIM-SJKOYZFVSA-N 312.344 3.196 0 40 DGAB COc1ccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)[nH]c2c1 5203101 VHCARVVDMCEUKF-UHFFFAOYSA-N 324.336 3.200 0 40 DGAB Cc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3F)cc2c1 5219216 TVJXGYOLOVAVTF-UHFFFAOYSA-N 311.312 3.333 0 40 DGAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 13947769 BCSTYHQFABDDGQ-CYBMUJFWSA-N 304.415 3.074 0 40 DGAB CCCOC(=O)c1ccc(Nc2nc(CCC)cc(=O)[nH]2)cc1 5886764 SNJGMRGFMRMNCI-UHFFFAOYSA-N 315.373 3.033 0 40 DGAB COc1ccc(NC(=O)CN(C)Cc2sccc2C)cc1 8309835 JCVFIWPSFPVDFF-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB COC(=O)c1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 7030277 LTKJVZGTZCWMLK-LLVKDONJSA-N 317.316 3.018 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69660225 YLCKVTOVRUKZCJ-WMZOPIPTSA-N 309.413 3.167 0 40 DGAB Cc1oc(-c2ccco2)nc1CN1CCC[C@H]1Cn1cccn1 69740156 LAFUEYYQZNMQFN-AWEZNQCLSA-N 312.373 3.104 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1nc2ccccc2[nH]1 9467615 GFWZQNQSNRLFKE-SECBINFHSA-N 301.296 3.332 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2 19819137 FUUYAXJSZHGEMB-UHFFFAOYSA-N 323.396 3.269 0 40 DGAB CCOC1CCN(C(=O)c2c(C)oc3ccc(OC)cc23)CC1 71820707 FDTRTWBCTPQXDY-UHFFFAOYSA-N 317.385 3.391 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 118913911 HMFQSUMWKTYRNZ-WLGYCZFTSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro Cc1nc2ccccc2n1CCCOC(=O)/C=C/c1ccncc1 72310896 JWADZQJPYLLTJT-BQYQJAHWSA-N 321.380 3.386 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cnc3ccccc3c2)ccc1F 72414264 AILLVCLFEVUJMZ-UHFFFAOYSA-N 316.357 3.483 0 40 DGAB O=C(Nc1cccc(C2SCCS2)c1)c1cccc[n+]1[O-] 84494241 IUPGDYRLPOWJGL-UHFFFAOYSA-N 318.423 3.051 0 40 DGAB Cc1nn(Cc2nc(-c3cccs3)oc2C)c(C)c1CCO 95939572 VIHHQXQBDZEWPY-UHFFFAOYSA-N 317.414 3.108 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)N(C)C(C)C)cc1Br 95963253 CGJIWJIUVWOIPW-LLVKDONJSA-N 313.239 3.425 0 40 DGAB O=C(CCc1nc(-c2cc(F)ccc2F)no1)NC1CCCC1 95942963 OBEBJMYMTNIIMD-UHFFFAOYSA-N 321.327 3.006 0 40 DGAB C=Cc1c(N)c(-c2n[nH]c(=O)c3ccccc23)c2ccccn12 32611781 PLGYTHLVTNKFBC-UHFFFAOYSA-N 302.337 3.068 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc2ccccc2c1 39608906 GBHZHHXZBIYARG-UHFFFAOYSA-N 318.332 3.386 0 40 DGAB Cc1sc(CCN2CCOC2=O)nc1-c1ccc(F)cc1F 71971702 MXPJDCRMVKFULP-UHFFFAOYSA-N 324.352 3.391 0 40 DGAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1 5525342 OVDAQVIEYIDYQE-MJGOQNOKSA-N 306.409 3.443 0 40 DGAB biogenic CCCCOc1ccc(/C=C/C(=O)N[C@H](C(=O)O)C(C)C)cc1 33460364 NTUXWHFDUZRVKO-YRYLYKBFSA-N 319.401 3.104 0 40 DGAB O=C(NCCc1ccccc1F)c1ccccc1OC(F)F 32480226 QIXFNSUEZMGSJQ-UHFFFAOYSA-N 309.287 3.400 0 40 DGAB O=C(Cc1ccccc1)N1CC[C@@H](Cc2cnc3[nH]ccc3c2)C1 72368681 RFYGEPNZMBVWKJ-INIZCTEOSA-N 319.408 3.197 0 40 DGAB Cc1nc(-c2ccccc2)ncc1C(=O)NCCc1ccccc1 130961084 BDNFMZLVBGJUCS-UHFFFAOYSA-N 317.392 3.425 0 40 DGAB O=C(NC1CCCCC1)OC[C@@H]1CN(C2CCCCC2)C(=O)O1 85384814 IFKBBDRXONEVJP-HNNXBMFYSA-N 324.421 3.199 0 40 DGAB Cc1ccc(-c2nnsc2C(=O)NCCCOC(C)C)cc1 225775977 TZJFUXQMYDPGRO-UHFFFAOYSA-N 319.430 3.058 0 40 DGAB O=C(Nc1ccccc1)C1CCN(C(=O)Cc2ccccc2)CC1 195172796 NELRHNFMQDSARW-UHFFFAOYSA-N 322.408 3.106 0 40 DGAB O[C@@H](COc1ccccc1)Cn1cc(-c2ccccc2F)cn1 575431398 HNQFVPAQXWMXAZ-OAHLLOKOSA-N 312.344 3.129 0 40 DGAB Cc1ccccc1C(=O)NCCc1cnc(-c2ccccc2)nc1 225590771 UJQCRASLBNCNAZ-UHFFFAOYSA-N 317.392 3.425 0 40 DGAB CCO[C@@H](CNC(=O)Nc1ccncc1F)c1ccccc1 193730234 QADZWJVFBJOJSN-HNNXBMFYSA-N 303.337 3.120 0 40 DGAB O[C@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 195560600 UZMCAPVSEXKTNH-SJLPKXTDSA-N 312.344 3.226 0 40 DGAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c(C)noc1C 96412177 PSCRGOJSVPKUPU-ZUZCIYMTSA-N 322.792 3.451 0 40 DGAB Cc1cc(S(=O)(=O)N2CCCc3ccccc32)ccc1F 96659180 SEMSFUGVEAVTSF-UHFFFAOYSA-N 305.374 3.276 0 40 DGAB CCc1noc(CN(C)[C@@H](C)c2ncc(-c3ccccc3)o2)n1 96411882 UHTGTMIKUWNCBE-LBPRGKRZSA-N 312.373 3.480 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1cn(C)c2cc(Cl)ccc12 95479709 FDKWGWDCZDMGTR-CYBMUJFWSA-N 319.836 3.046 0 40 DGAB COC[C@H]1CN(C)C[C@@]12CCN(Cc1cccc3ccccc13)C2 96217142 PKLRBZHMOFZTRV-TZIWHRDSSA-N 324.468 3.240 0 40 DGAB c1ccc([C@H](N[C@H]2CCc3[nH]ncc3C2)c2ccccn2)cc1 97233936 YSTJZFSTTLXXGI-LPHOPBHVSA-N 304.397 3.041 0 40 DGAB CCCOc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1 261713286 LEBJARYDKRFPIM-UHFFFAOYSA-N 320.389 3.240 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3ccccc3)C[C@H]21 585110011 OWCXHUZDONHVBZ-ZBFHGGJFSA-N 307.397 3.012 0 40 DGAB O=C(OCC1CC1)c1csc(-c2ccc3c(c2)OCO3)n1 78411289 ULTNPWTWXVWLJZ-UHFFFAOYSA-N 303.339 3.106 0 40 DGAB Cc1nc(C2(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)CCCC2)no1 107489035 JOKGJRQTNZTBBI-MELADBBJSA-N 303.406 3.090 0 40 DGAB c1coc(-c2nc(NC[C@@H]3CCCO3)ncc2-c2ccncc2)c1 12338396 OZUARUSVTBFDLG-AWEZNQCLSA-N 322.368 3.390 0 40 DGAB FC(F)(F)c1ccc(NC(=S)NC[C@@H]2CCCO2)cc1 16237508 WEAQSVCYOVEMOF-NSHDSACASA-N 304.337 3.171 0 40 DGAB CCOc1cccc(-c2nn3c(=O)c4ccccc4nc3s2)c1 17056507 QLXLSBGQNILQPZ-UHFFFAOYSA-N 323.377 3.370 0 40 DGAB CCSc1nnc(NC(=O)COc2ccc(C)c(C)c2)s1 5443212 QSIPBSYRQONEBV-UHFFFAOYSA-N 323.443 3.284 0 40 DGAB CC(C)(C)c1cn2nc(C(=O)Nc3ccc(F)cc3)ccc2n1 1888909645 UTCJCGPUHPVJSP-UHFFFAOYSA-N 312.348 3.418 0 40 DGAB Cc1ccc(CC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 25330867 FSVXLPUHQFFQIA-MRXNPFEDSA-N 302.443 3.018 0 40 DGAB Cc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)c1 1775975249 DVOOSXFEKIYEGW-IRXDYDNUSA-N 309.413 3.129 0 40 DGAB O=C(Cc1ccccc1Cl)N1CCO[C@@H](c2ccccc2)C1 23895946 KWWLMOQPYAUMGD-QGZVFWFLSA-N 315.800 3.483 0 40 DGAB c1ccc(-n2ncc3c(NC4CCCCCC4)nnnc32)cc1 49029748 KVIYKYSZYLAMAX-UHFFFAOYSA-N 308.389 3.345 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1cc2ccccc2o1 85559849 GGDBVWTXBFNSQW-FQEVSTJZSA-N 321.376 3.083 0 40 DGAB CC(=O)N1N=C(c2cccc(Br)c2)OC12CCCC2 39269 KHYYVPJBUIEFJC-UHFFFAOYSA-N 323.190 3.260 0 40 DGAB CCN1C(=O)c2ccccc2N[C@H]1c1ccc(-n2cccn2)cc1 30543341 RAWSBQFFNYCQOK-GOSISDBHSA-N 318.380 3.459 0 40 DGAB Cc1csc(NC(=O)CCCc2nc(C(C)(C)C)no2)n1 31228185 ZGWPTRGGBLQLEI-UHFFFAOYSA-N 308.407 3.093 0 40 DGAB c1ccc(Cn2ncc3c(N4CCCCCC4)ncnc32)cc1 175727 NIJQVDWWXOAVAP-UHFFFAOYSA-N 307.401 3.255 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)c1 260523 FSPUSFZXAIPEJO-HNNXBMFYSA-N 304.390 3.191 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc3cccnc23)s1 353087 VOWOLYAJADPIEY-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB CN(C(=O)c1ncn(-c2ccc(Cl)cc2)n1)c1ccccc1 17193683 QMUIKZVOMNMLTE-UHFFFAOYSA-N 312.760 3.197 0 40 DGAB COc1ccc([C@@H]2SCC(=O)N2c2ncc(C)s2)cc1 17198026 JIWGHYZZKNXJLH-ZDUSSCGKSA-N 306.412 3.239 0 40 DGAB NC(=O)c1ccccc1OCc1ccc(Br)cc1 3532708 FMHXOTZLVBXIFC-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB CCOc1ccccc1NC(=O)CNc1cccc(C(C)=O)c1 4903981 JITPWBICFZAAPR-UHFFFAOYSA-N 312.369 3.339 0 40 DGAB Cc1cc(C(=O)COC(=O)Cc2ccc(Cl)cc2)c(C)n1C 7814382 ZDVZAANHUOTLTD-UHFFFAOYSA-N 319.788 3.264 0 40 DGAB CCC[C@@H](C)NC(=O)COC(=O)c1csc2c1CC[C@H](C)C2 20865046 HKDJNFSQWPMTDU-NWDGAFQWSA-N 323.458 3.335 0 40 DGAB CC(C)CNCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616958 ODQVPSPPGKSBRB-UHFFFAOYSA-N 323.400 3.200 0 40 DGAB COC(=O)[C@H](NCCc1cccs1)c1ccccc1Cl 21297950 PAOGEKGFTGONII-CQSZACIVSA-N 309.818 3.448 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1n[nH]c2c1CCCC2 8996414 SHAXYSFWIXNGOU-UHFFFAOYSA-N 310.401 3.141 0 40 DGAB Cc1ccc(N2C(=O)CC(=O)N(c3ccccc3)C2=S)cc1C 450695 CXIJLTRRWALJNS-UHFFFAOYSA-N 324.405 3.358 0 40 DGAB Cc1ccnc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1 21893228 JCLQCJZOFJDRLY-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB CN(C)S(=O)(=O)N(Cc1ccccc1Cl)c1ccccc1 529066 NIWCWPUZKOLWIC-UHFFFAOYSA-N 324.833 3.153 0 40 DGAB COc1ccc2c(c1)c([C@@H](O)CN1CCCCC1)c(C)n2C 502256 AVSAXCZPGFNWGW-KRWDZBQOSA-N 302.418 3.015 0 40 DGAB C[C@@H](NC[C@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C 91281824 HMLJDISJCQPMRC-YGRLFVJLSA-N 319.792 3.204 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(F)cc1F 59773245 HMLULWXYMSLIMK-NSHDSACASA-N 312.360 3.236 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(C(=O)C3[C@H]4CCC[C@H]34)C2)c1 102688058 IGMRORMRYMIFTP-ZLIFDBKOSA-N 315.413 3.066 0 40 DGAB C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 104676492 RIVKZOSGWNGRPP-UCQBOQSVSA-N 313.397 3.229 0 40 DGAB O=C(COc1ccccc1)Nc1ccccc1Br 1098934 JLQPKOFPKPTCFX-UHFFFAOYSA-N 306.159 3.467 0 40 DGAB CCN1CCC[C@H](CN(C)c2nc(C)nc3sccc23)C1 55272000 SDPPZRFAPIKPRR-CYBMUJFWSA-N 304.463 3.168 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1)c1ccc(F)cc1 12560352 AHMSLADZNAUHPG-MRXNPFEDSA-N 324.359 3.470 0 40 DGAB COc1ccccc1C[C@H]1CCCN1C(=O)CC[C@@H]1CCCO1 58245130 CLLIGVQNDVOFKK-SJORKVTESA-N 317.429 3.188 0 40 DGAB O[C@H]1CCCc2c(OCc3nnc(-c4ccco4)o3)cccc21 44907296 KZZIDKJMLPZDAF-ZDUSSCGKSA-N 312.325 3.278 0 40 DGAB CN(C(=O)c1cccc(S(C)(=O)=O)c1)C1CCCCCCC1 58344301 XJLVOCFFXJMAMH-UHFFFAOYSA-N 323.458 3.275 0 40 DGAB Cc1cccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c1C 58329328 FAEKVQCETKHTLH-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)s1 3384423 CMCQZHBLBLDGTC-UHFFFAOYSA-N 307.346 3.300 0 40 DGAB Cc1nn(C)c2ncc(C(=O)N(C)[C@H]3CCc4ccccc43)cc12 12766528 IOWFKATYELVGRN-KRWDZBQOSA-N 320.396 3.036 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1cccs1 12981688 AZHFKKDHUUNESY-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB Clc1ccc(N2CCN(c3ncccn3)CC2)cc1Cl 4053982 DRWLFKKHKDZOHD-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB CC(C)c1c(OCc2ccccc2)nc2n(c1=O)CCS2 13629119 FNVLILVIMNMXFV-UHFFFAOYSA-N 302.399 3.051 0 40 DGAB CC[C@@H](C)NC(=O)Nc1cccc(CN2CCCCC2=O)c1 69594192 SRAPZBVZCPTUPF-CYBMUJFWSA-N 303.406 3.119 0 40 DGAB Cc1ccc2c(c1)CN(Cc1ccsc1)[C@H](CN(C)C)CO2 72395303 YGDOXZIXIRFOGW-QGZVFWFLSA-N 316.470 3.381 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)c2snnc2C)cc1 5239293 UNMUKXPOTNYVQR-UHFFFAOYSA-N 319.386 3.056 0 40 DGAB Cc1sc2ncnc(N3CCC[C@H]3Cn3cccn3)c2c1C 69626713 RCIZUWJNIOKUDU-ZDUSSCGKSA-N 313.430 3.174 0 40 DGAB Fc1cc2c(c(CSC3=N[C@@H]4CCCC[C@@H]4N3)c1)OCOC2 14171211 PRENALXQZIRXBZ-OKILXGFUSA-N 322.405 3.196 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 69742457 GUTYJSHOGDKGEM-TVFCKZIOSA-N 316.420 3.014 0 40 DGAB CCCCNC(=O)C1CCN(Cc2ccc(CC)cc2)CC1 4680083 TZXXTIVLCNBJEK-UHFFFAOYSA-N 302.462 3.377 0 40 DGAB C[C@@H](c1ccncc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 69847208 JEEXKXGUBKZAFD-RDJZCZTQSA-N 309.413 3.493 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1F 8917272 KESJGPNCTFBDPQ-MRXNPFEDSA-N 323.323 3.497 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)SCCOc2ccc(F)cc2)on1 75584305 SAVHGIAIMLPITD-LLVKDONJSA-N 324.377 3.261 0 40 DGAB O=C(Nc1ccccc1-n1cncn1)c1nccc2ccccc12 71186044 DYGMJPPVCWNGBG-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CC(C)(C)OC(=O)N1CCC(N2CCc3ccccc32)CC1 72194150 OMLPYERPOKFBHW-UHFFFAOYSA-N 302.418 3.449 0 40 DGAB O=C(N[C@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1 96002969 ZGYGZGGPXJEQHO-ZDUSSCGKSA-N 323.318 3.253 0 40 DGAB CCC(=O)Nc1nc(-c2ccccc2OCCN(C)C)cs1 71487072 OKJPHEDDLQSMBH-UHFFFAOYSA-N 319.430 3.099 0 40 DGAB Cc1cccc(OCCCNC(=O)c2ccc3[nH]cnc3c2)c1 9835625 BULOBRSFOZIYDO-UHFFFAOYSA-N 309.369 3.070 0 40 DGAB C[C@@H]1SCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)[C@@H]1C 96411125 FNSHBKZRUSJKJO-NEPJUHHUSA-N 318.442 3.001 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1ccc(F)cc1 71859214 BCBMMJLHJPYWPQ-XMHCIUCPSA-N 319.401 3.126 0 40 DGAB Cc1ccccc1C1CCN(C(=O)c2cccc(C(N)=O)c2)CC1 71883370 LIWVSWYBUXCWSH-UHFFFAOYSA-N 322.408 3.114 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](Oc2ccncc2)C1 84235358 ICYYQAGJARICSC-WDSOQIARSA-N 322.408 3.173 0 40 DGAB Cc1n[nH]cc1CNc1ncnc2c(Br)cccc12 97160182 SMRAXIYJASIYBE-UHFFFAOYSA-N 318.178 3.036 0 40 DGAB Cc1cc(NC(=O)Nc2ccc([S@@](C)=O)c(F)c2)ccc1O 97104819 XVJIWNQTACCZHY-QFIPXVFZSA-N 322.361 3.221 0 40 DGAB O=C(CCc1cscn1)Nc1cc(C(F)(F)F)ccc1O 72311417 PILDIZNRMLKVEQ-UHFFFAOYSA-N 316.304 3.439 0 40 DGAB CSc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1Cl 78985975 VLSIMHCUGUOZDA-UHFFFAOYSA-N 308.790 3.013 0 40 DGAB O=C(CSCc1ccco1)Nc1ccc2c(c1)OCCCO2 97513742 BZXLDSSFODHMSL-UHFFFAOYSA-N 319.382 3.313 0 40 DGAB CC[C@H](C)[C@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O 84721387 FIZHMUHFFHKYNE-RCOVLWMOSA-N 309.719 3.066 0 40 DGAB O=C(Cc1c[nH]c2ncccc12)Nc1c(F)cccc1NC1CC1 95413005 JKACZKLEQLTDII-UHFFFAOYSA-N 324.359 3.458 0 40 DGAB Nc1c(Br)cc2ncsc2c1Br 98178149 CRUNLBPUXULNKA-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@H]2C[C@H](O)c2ccco2)c1 95973184 PLOWNNUOBVLJHY-HOTGVXAUSA-N 316.401 3.127 0 40 DGAB CCc1cc(N[C@@H](C)c2cccc(N3CCOC3=O)c2)ncn1 95959045 YFQFBVAFTJQOSN-LBPRGKRZSA-N 312.373 3.169 0 40 DGAB C[C@H]1CCc2[nH]c3c(C(=O)N[C@@H](C)CCCO)cccc3c2C1 95966938 MTXRLMUBGNRGJP-STQMWFEESA-N 314.429 3.184 0 40 DGAB Cc1ccc(S[C@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1 9908656 GMKFQNCXNMGQLM-GFCCVEGCSA-N 314.410 3.213 0 40 DGAB Cc1ccc(C)c(CS[C@@H]2CCN(C3CCOCC3)C2=O)c1 75092239 HJJMOQNHEIYWOU-QGZVFWFLSA-N 319.470 3.317 0 40 DGAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@@H]1c1ccccc1 75125393 ILJDCABUARMTAH-MRXNPFEDSA-N 320.348 3.222 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccc(F)cc2)cc1 30132852 JSHUYVBXFDOGHM-CQSZACIVSA-N 317.360 3.097 0 40 DGAB COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@H]3N(C)CC2 1859101 TWHQHABOPHKTTM-OAHLLOKOSA-N 311.381 3.162 0 40 DGAB biogenic Nc1ccc(I)cc1C(=O)c1ccccc1 39336143 QTHGIKVFMYLWMO-UHFFFAOYSA-N 323.133 3.104 0 40 DGAB O=C(Cn1ccsc1=O)N(C1CCCCC1)C1CCCCC1 525504007 VYPTVLNVJBLPFG-UHFFFAOYSA-N 322.474 3.404 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2cccc(C)c2C)CC1 73743178 QGZIFDMOWCGAHB-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1cccs1 129674843 SJCVCSRLCCIBAM-CABCVRRESA-N 323.506 3.428 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 215910853 VGWPKCOANXWONX-VLXAULBPSA-N 305.443 3.481 0 40 DGAB CNc1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72212576 OIZYEETUUPVWFX-UHFFFAOYSA-N 307.394 3.001 0 40 DGAB Nc1cccc(-c2nnc(COc3ccc(F)cc3F)o2)c1 85386128 ODZFOTAYZNHZJR-UHFFFAOYSA-N 303.268 3.176 0 40 DGAB Nc1cc(Br)c(OCCF)c(Br)c1 87774127 ZBDRKGAAORUIDQ-UHFFFAOYSA-N 312.964 3.142 0 40 DGAB Cc1cccc2cc(C(=O)N(C)Cc3ccccc3)c(=O)oc12 226035193 WNXRXVJISQEIIQ-UHFFFAOYSA-N 307.349 3.374 0 40 DGAB CCOC(=O)c1cn(CC)c2ccc(C(F)(F)F)cc2c1=O 199739810 WWHIVLPEWFNMTE-UHFFFAOYSA-N 313.275 3.217 0 40 DGAB CCOC(=O)c1ccc(NC(=S)NC2CCCC2)c(C)c1 225277943 RDFGYJXDEASLDP-UHFFFAOYSA-N 306.431 3.401 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)CC[C@@H]2CCCO2)o1 81345923 GNYYEQPSRMGYGJ-UONOGXRCSA-N 309.431 3.164 0 40 DGAB CC1(C)Oc2ccc(NC(=O)c3ccccc3F)cc2NC1=O 46088482 UXDZOYPFUILTPS-UHFFFAOYSA-N 314.316 3.188 0 40 DGAB COc1ccc([C@@H](NC(=O)c2ccncc2)C(F)(F)F)cc1 97236069 DGRXWYZWUPGCEL-CYBMUJFWSA-N 310.275 3.124 0 40 DGAB Cn1c(C(=O)NC2CC2)cc2c1c1ccccc1n2CC1CC1 96264218 WFTNTQXODRCHMU-UHFFFAOYSA-N 307.397 3.435 0 40 DGAB C[C@H](CNC(=O)N[C@H](C)c1ccccn1)Oc1ccccc1F 96437618 QXTPMKATPMOZLL-CHWSQXEVSA-N 317.364 3.048 0 40 DGAB COc1ccccc1C1=NN(C(C)=O)[C@@H](c2cccs2)C1 95116084 YDFKHGFRSLMOJV-CQSZACIVSA-N 300.383 3.454 0 40 DGAB O=C(Cc1ccc(F)cc1F)N1CCOc2ccc(F)cc2C1 347846018 MGYLDYFBSITFCO-UHFFFAOYSA-N 321.298 3.068 0 40 DGAB Cc1nc(CN2CCC[C@H]2c2ccnc(N(C)C)c2)cs1 257287434 PPZDVJUGZVBFJG-HNNXBMFYSA-N 302.447 3.250 0 40 DGAB CC(C)[C@H]1CCO[C@H]1C(=O)Nc1cc(CC(C)(C)C)nn1C 585083733 CUCFGVBVOOPNIN-UKRRQHHQSA-N 307.438 3.008 0 40 DGAB Oc1nncc(N[C@@H]2CCC[C@H]2Cc2ccccn2)c1Cl 585098948 VOPCZHOGDQMTBL-CMPLNLGQSA-N 304.781 3.054 0 40 DGAB CCSCc1ccc(C(=O)N2Cc3c[nH]nc3[C@H](C)C2)cc1 585134203 HWBZGFTZKPOSNV-GFCCVEGCSA-N 315.442 3.422 0 40 DGAB O=C(NC12CCC(CCO)(CC1)CC2)OCc1ccccc1 575631077 QZUURLXEIJNOQM-UHFFFAOYSA-N 303.402 3.388 0 40 DGAB C[C@@H](c1cc(F)ccc1F)N1CCC(NC(=O)C2CC2)CC1 56284251 GINFUMDDQJMBHJ-NSHDSACASA-N 308.372 3.016 0 40 DGAB O=C(NCc1cccnc1)N1CCC[C@@H]1CCc1ccccc1 56780453 XDHNJCQJZGTRML-GOSISDBHSA-N 309.413 3.388 0 40 DGAB Nc1c(Br)cc(Br)c2scnc12 98178148 GJHULBALZUQYOX-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCc2cn3cc(C)ccc3n2)C1(C)C 71820087 HUQQYWJUYYOAFB-DOTOQJQBSA-N 311.429 3.497 0 40 DGAB CC1CCN(C(=O)[C@@H](C)Sc2nnc(C3CC3)s2)CC1 74796985 YQYJCSQJGPXRRO-SNVBAGLBSA-N 311.476 3.155 0 40 DGAB CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96450444 PPLFEXGKSXGKCY-GJZGRUSLSA-N 306.431 3.049 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@@H](C)O1 11560675 OMGSMHBQTAZILW-CHWSQXEVSA-N 321.376 3.147 0 40 DGAB OCCN(Cc1cccs1)Cc1c[nH]nc1-c1cccs1 12143837 GJHLVLLFRSQRBO-UHFFFAOYSA-N 319.455 3.194 0 40 DGAB Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccs2)cc1 16311498 XSBBGXIIEOIKMO-UHFFFAOYSA-N 308.370 3.089 0 40 DGAB Cc1ccc(S(=O)(=O)NCCSc2ccccc2)cc1C 17333656 MCZFLFVTCPWHEI-UHFFFAOYSA-N 321.467 3.374 0 40 DGAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@H]2C)n1CC 18099953 LSDBDZGCGMUZPS-BETUJISGSA-N 324.494 3.132 0 40 DGAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1C(=O)c1ccncc1 187041553 GCUGFNPEGBPAKR-MLGOLLRUSA-N 316.788 3.337 0 40 DGAB O=P(Oc1ccc(-c2ccccc2)cc1)(N1CC1)N1CC1 1684551 SSQXNXGIHRFQDS-UHFFFAOYSA-N 300.298 3.472 0 40 DGAB COCCNC(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206881862 OKNIKKQKRDTHMZ-AWEZNQCLSA-N 310.825 3.266 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2cccnc2OCC)cc1 11169568 QBORMNWEZCIEEN-CYBMUJFWSA-N 314.385 3.370 0 40 DGAB c1cnc2nc3c(cc2c1)CN(c1ncnc2ccsc12)CC3 2087051390 QIYXFZSQHFIPKE-UHFFFAOYSA-N 319.393 3.197 0 40 DGAB CSCc1ccc(C(=O)NCCN2CCC(C)CC2)cc1 40108057 UHDUUSNSGNEZNE-UHFFFAOYSA-N 306.475 3.011 0 40 DGAB CC(C)COC(=O)Nc1nnc(Cc2ccccc2F)s1 278885 VQXLQCHXTLHHSV-UHFFFAOYSA-N 309.366 3.473 0 40 DGAB Cc1ccc(Nc2nnc(SC[C@H]3CCOCO3)s2)cc1 7758506 IQZVQENYOYIRKT-GFCCVEGCSA-N 323.443 3.445 0 40 DGAB Cc1cc(C(=O)NC2CC2)c2c(C)nn(-c3ccc(F)cc3)c2n1 36616719 IMZZDLVUKXAQJZ-UHFFFAOYSA-N 324.359 3.069 0 40 DGAB Cc1ccc(NC(=O)N2CCN(c3ccccc3)CC2)cc1F 2513679 RVWNKHJIYQWPAF-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB CCOc1cccc2c1OCC(C(=O)N[C@H](C)c1ccccn1)=C2 40529647 RCIFFOCKNBNHBF-CYBMUJFWSA-N 324.380 3.134 0 40 DGAB OCc1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2[C@@H]1O)CCC3 1646180 BSHZCNKXGSJSNV-LEWJYISDSA-N 306.405 3.042 0 40 DGAB CC(=O)c1ccc(NC(=O)NCc2cn3ccc(C)cc3n2)cc1 40556167 SFYZYAGMDMJCAS-UHFFFAOYSA-N 322.368 3.167 0 40 DGAB COc1cc(/C=C/C(=O)NCc2ccco2)ccc1OC(C)C 1892916 COXGEACAGTYMKR-VQHVLOKHSA-N 315.369 3.405 0 40 DGAB C[C@H]1CN(C(=O)COc2cccc(Cl)c2Cl)C[C@@H](C)O1 20572340 SHMMYVPPFZREOK-AOOOYVTPSA-N 318.200 3.008 0 40 DGAB N[C@H]1N=C(c2cc(Cl)ccc2Cl)c2ccccc2NC1=O 4203211 LIBGJZUMLAQBNN-AWEZNQCLSA-N 320.179 3.068 0 40 DGAB CCCc1n[nH]c(=S)n1NCc1ccc(OC)c(OCC)c1 7601365 NXODSSGYYINILH-UHFFFAOYSA-N 322.434 3.044 0 40 DGAB CCc1noc([C@H](C)N2CCN(c3cccc(Cl)c3)CC2)n1 32906037 GAXUWLYQYJEGLP-LBPRGKRZSA-N 320.824 3.169 0 40 DGAB O=C(NC[C@H]1CCCO1)c1csc(-c2ccc(Cl)cc2)n1 21703232 UAGCRYUGZRSYLM-GFCCVEGCSA-N 322.817 3.372 0 40 DGAB CCn1cc([C@@H]2OCC[C@H]2CNC/C=C/c2ccccc2)cn1 83843453 MWFJJWZDIPFAMI-AWHANYKDSA-N 311.429 3.284 0 40 DGAB COc1ccc(-n2nc(CSc3ccccn3)cc2O)cc1 9939655 MFVVVPUPIRWCEX-UHFFFAOYSA-N 313.382 3.274 0 40 DGAB Cn1nc(C(=O)NC2CCCCCCC2)cc1C(F)(F)F 2780192 FTQLRLNHPOASTC-UHFFFAOYSA-N 303.328 3.282 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)ccc1Cl)[C@H]1C=C[C@H]2C1 103543748 MPXZKJSNROLDGS-XMUKKISLSA-N 308.164 3.305 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2ccc(O)cc2)cc1OC 57560065 HARBNPMAKBHGNG-VZUCSPMQSA-N 313.353 3.451 0 40 DGAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(F)c(F)c1 43210868 LVIZQAHCKFHQCJ-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)NCC1CC1 25086250 VDNIEQFSLSKIGT-UHFFFAOYSA-N 312.417 3.041 0 40 DGAB O=C1CSCC(=O)N1c1nc(-c2ccc(Cl)cc2)cs1 1404586 UZTLJJDXJYDFEL-UHFFFAOYSA-N 324.814 3.070 0 40 DGAB CC(=O)Nc1cc(NCc2nc(CC(C)C)no2)ccc1C 55859615 KWFAMUHGVSPQNM-UHFFFAOYSA-N 302.378 3.147 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)[C@H]1CC(=O)N(C)c2ccccc21 25617601 FUIBCWKLISYRDU-YOEHRIQHSA-N 322.408 3.356 0 40 DGAB O=C(Nc1ccc(Oc2cccc(F)c2)nc1)c1cnccn1 44643571 ZHMFBMJXJPOCNB-UHFFFAOYSA-N 310.288 3.055 0 40 DGAB O=C(/C=C/c1cccc(F)c1)OCC(=O)c1ccccc1F 3250113 FWCRTMNFMJBZFF-CMDGGOBGSA-N 302.276 3.404 0 40 DGAB O=C(COc1ccc(Cl)cc1)N1CCCc2ncccc21 58333199 SCTRQPYOMNFNNL-UHFFFAOYSA-N 302.761 3.093 0 40 DGAB O=C(c1cc(-c2ccco2)on1)N1CCO[C@@H](c2ccccc2)C1 27914094 XAOXQFAEIQYTNS-QGZVFWFLSA-N 324.336 3.148 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNCc1ccco1 28297071 IVBSGDHIIAXBHH-MRXNPFEDSA-N 312.413 3.310 0 40 DGAB CN(CC(=O)NC1CCCCC1)[C@H]1CCCc2ccccc21 8126829 LAJSNNCDKPCUGY-SFHVURJKSA-N 300.446 3.445 0 40 DGAB CC(C)OCc1ccc(CNc2cncc(-n3cccn3)n2)cc1 48355465 DRECMENLVWPFJA-UHFFFAOYSA-N 323.400 3.199 0 40 DGAB Cc1ccc([C@@H](NC(=O)CCN2CCSC2=O)C(C)(C)C)o1 70005439 IPYCZVDLOXHBRP-CQSZACIVSA-N 324.446 3.350 0 40 DGAB Cc1ccc(CC(=O)N(C)CC(=O)Nc2c(C)cccc2C)cc1 8302674 QHEHELMFTHVNHP-UHFFFAOYSA-N 324.424 3.251 0 40 DGAB CCCCC(=O)N1CCC(c2nc(-c3ccccc3)n[nH]2)CC1 65549979 MXAXRMDKTBUNAY-UHFFFAOYSA-N 312.417 3.368 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccccc1Cl 6436423 QUCKVVHRXSAMMN-DOMZBBRYSA-N 322.836 3.155 0 40 DGAB O=C(NC1CC1)N(CCc1ccccn1)Cc1ccc(F)cc1 65608321 HISYRKWTGXRHLX-UHFFFAOYSA-N 313.376 3.137 0 40 DGAB O=C(NCc1ccccn1)NCC1(c2ccc(F)cc2)CCC1 65607077 IYJGFRONWIGLSD-UHFFFAOYSA-N 313.376 3.142 0 40 DGAB Cc1[nH]c2ccccc2c1-c1csc(N2CCN(C)CC2)n1 6560556 PNQBTRGOQBWQBK-UHFFFAOYSA-N 312.442 3.352 0 40 DGAB O=C1S/C(=C\c2ccccn2)C(=O)N1CCc1ccccc1 4688498 FCZKHCXVOOJPSJ-QINSGFPZSA-N 310.378 3.361 0 40 DGAB O=C(Nc1cccc(C(=O)Nc2nncs2)c1)c1ccccc1 4696267 IAHKKYBJRJRMFE-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB COc1cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)ccc1O 66079226 LBHCBNVUCHSTNV-MRXNPFEDSA-N 310.353 3.098 0 40 DGAB CC[C@H]1Oc2ccccc2C(=O)N(Cc2ccccc2F)C1=O 6758414 QCQLMHFCWZXYBR-OAHLLOKOSA-N 313.328 3.166 0 40 DGAB Cc1cccc(C(=O)OCC(=O)NCc2ccccc2Cl)c1 4846455 MNHUELNBKWBRBU-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccc(O)cc2)cc1 5818266 ZDNSPQUFFBNPGK-GOSISDBHSA-N 319.364 3.482 0 40 DGAB CCN(CC)C(=S)SCC(=O)Nc1cccnc1Cl 5987924 ZQAHYHXSAUFAAK-UHFFFAOYSA-N 317.867 3.033 0 40 DGAB CC(=O)Nc1ccc(CN[C@H](C)COc2ccccc2F)cc1 67249839 PICCYGDXWRQJDV-CYBMUJFWSA-N 316.376 3.341 0 40 DGAB CC(=O)Nc1cccc(C(=O)OCC(=O)c2ccc(C)s2)c1 7285619 INGUTDZCDKZXHQ-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB COc1cccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)c1 7457628 FZWPPGWJAJTSQG-ZDUSSCGKSA-N 316.376 3.466 0 40 DGAB FC(F)(F)Cn1cc(NCc2ccc(-n3ccnc3)cc2)cn1 92845488 FLFFKZBDAVUTQX-UHFFFAOYSA-N 321.306 3.243 0 40 DGAB O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@H](c1ccccc1)C1CCC1 89826034 MMBDIYBLUCFLFG-FUHWJXTLSA-N 324.428 3.108 0 40 DGAB O=S(=O)(Cc1ccccc1)N1CCC[C@@H]1c1cccs1 9365608 BASDNIJFGZCTAP-CQSZACIVSA-N 307.440 3.415 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)n1 71883115 SYLNSYOVVIBMTN-STQMWFEESA-N 320.462 3.354 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc(F)cc1 96999813 QQUDTHVWRIFMNR-SNVBAGLBSA-N 311.696 3.018 0 40 DGAB COc1ncccc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1 72273441 DEGDKBLYLIJLKO-CYBMUJFWSA-N 317.414 3.223 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)CC3=CCCCC3)C2)no1 72270320 FYDHDNRSVIYZHM-AWEZNQCLSA-N 303.406 3.229 0 40 DGAB CCc1nnc(CNc2ccc(Cl)c(OC(F)F)c2)o1 97053255 MKOVIDGMKMFJQN-UHFFFAOYSA-N 303.696 3.499 0 40 DGAB Cn1nccc1C(=O)N1CCC[C@@]1(c1ccccc1)C(F)(F)F 97102343 OGCQAHJDBJJSDH-OAHLLOKOSA-N 323.318 3.114 0 40 DGAB Cc1ccccc1CN1CCC(NCc2c(C)n[nH]c2C)CC1 97159607 SZROZSRKETXGAP-UHFFFAOYSA-N 312.461 3.089 0 40 DGAB CC(=O)N1CC[C@H](CN(C)CCc2ccc(C(C)C)cc2)C1 97162691 DTDDOPVNDLSXSC-GOSISDBHSA-N 302.462 3.153 0 40 DGAB Cc1ccc(C)c(C(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1 95430039 SAQSWKVQRPAEIS-GUYCJALGSA-N 301.361 3.294 0 40 DGAB CCc1ccc(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)s1 95425051 NPGLOJNWJJHLCX-UHFFFAOYSA-N 307.371 3.182 0 40 DGAB O=C1CCc2cc(OC(=O)c3cc(F)c(F)cc3F)ccc2N1 95431282 GNMNEUBMXFACHS-UHFFFAOYSA-N 321.254 3.208 0 40 DGAB O=C(N[C@@H](CCO)c1cccs1)c1coc2ccccc12 95445783 NYNYLOVXOKPDFF-ZDUSSCGKSA-N 301.367 3.348 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@H]1CCC[C@@H](C2CC2)C1 89598060 ZAIXUDSYZQGJQN-CABCVRRESA-N 317.433 3.355 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2c(O)cccc21 79060115 JFKNMONHQWYWKQ-BXUZGUMPSA-N 314.410 3.072 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2cccs2)no1 36413131 CEMBKFZTSNFMHJ-OCCSQVGLSA-N 319.430 3.059 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 36139712 JHQULEAEKDXGHC-UHFFFAOYSA-N 324.380 3.326 0 40 DGAB COCCNc1c(C)c(C)nc2cc(-c3cc(C)oc3C)nn12 72337446 PMUBXCBNUKGOOD-UHFFFAOYSA-N 314.389 3.281 0 40 DGAB Cc1csc(Sc2cc(=O)n3cc(Cl)ccc3n2)n1 32888174 MBSNXPLZWUKSQY-UHFFFAOYSA-N 309.803 3.264 0 40 DGAB Cc1ccc(-c2nsc(C(=O)NCc3ccco3)c2N)cc1 62007046 FCUDEMYCMJOMPS-UHFFFAOYSA-N 313.382 3.224 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)c1 42646587 XVMJEZDAFUFDJG-UHFFFAOYSA-N 310.397 3.175 0 40 DGAB C[C@H](O)C1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 76621316 UZFAZUGXUBPWOK-LBPRGKRZSA-N 309.837 3.237 0 40 DGAB O=C(NCCSC1CCCCC1)c1ccc2c(c1)OCCO2 225399332 QNYVFYHZGFCMNV-UHFFFAOYSA-N 321.442 3.254 0 40 DGAB CCc1ccc(CNC(=O)N2CCc3ccc(O)cc3C2)s1 46945622 KXODPIWDRYLPRE-UHFFFAOYSA-N 316.426 3.284 0 40 DGAB CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1nccs1 80398916 HCKBIRFNUFROJG-CYBMUJFWSA-N 312.398 3.414 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1C 225718339 ITPTYWAIMAJSSW-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1ccc(C(=O)NCCCc2ccccc2OC)cc1C 223133875 OSZWYWNXCSLSQS-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB O=C(Nc1ccc2nc([C@@H]3CCCO3)[nH]c2c1)c1cccnc1 44892127 PJNYSPVDMMRRQW-HNNXBMFYSA-N 308.341 3.062 0 40 DGAB COc1ccccc1C(=O)NCCOc1ccc(C)c(Cl)c1 224121725 WWEPCTXXUSYNGH-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CC[C@@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)o1 225473885 COLJVAPEMHMSEG-HNNXBMFYSA-N 300.402 3.140 0 40 DGAB Cc1ncccc1NC(=O)c1ccc2c(c1)C(C)(C)CC(=O)N2 227115012 ZQSDJAWQVCAJEI-UHFFFAOYSA-N 309.369 3.262 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)c1ccc(F)cc1 46374492 XXDWGFTWXAHRTF-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB CC(C)NC[C@H]1COCc2nc3cc(C(F)(F)F)ccc3n21 96112696 YSICINAJECADSB-NSHDSACASA-N 313.323 3.124 0 40 DGAB biogenic,in-vitro Cc1cccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)c1 238950374 WVOGJFTUZBTRMU-FQEVSTJZSA-N 320.436 3.268 0 40 DGAB O=C(CCc1cscn1)Oc1cccc2c1CCCC2=O 96442761 YLQIYKZDFBFECP-UHFFFAOYSA-N 301.367 3.200 0 40 DGAB O=C(NCCn1ccnc1)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 96424993 GGEKKFYEGQEVAK-UONOGXRCSA-N 324.211 3.110 0 40 DGAB COc1ccc(OC2CCN(Cc3cccnc3C)CC2)cc1 536637645 HZRDIBQACLSADA-UHFFFAOYSA-N 312.413 3.442 0 40 DGAB c1ccc2nc(CN3CCC[C@@H](Cc4ccn[nH]4)C3)ccc2c1 257293640 QQNASELKMJNESL-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB Cc1cncc(C(=O)N2CCC(C)(c3nccs3)CC2)c1 257313788 UUDPWRBIKBTDEC-UHFFFAOYSA-N 301.415 3.040 0 40 DGAB O=C(c1cccs1)N1CCC[C@H](c2cccc3nccn23)C1 257302656 SDSPNSINJBDLIZ-ZDUSSCGKSA-N 311.410 3.416 0 40 DGAB COc1ccc(-c2coc3cc4c(cc3c2=O)OCCO4)cc1 585152473 MXUVLLBYXBGAFK-UHFFFAOYSA-N 310.305 3.240 0 40 DGAB CC[C@H](C)[C@@H](CN(C)C)NC(=O)c1cc(Cl)ncc1Cl 585125977 KBCUEVQWSAVURG-JOYOIKCWSA-N 318.248 3.095 0 40 DGAB C[C@H]1CN(C(=O)C(F)(F)Sc2ccccc2)C[C@H](C)O1 256050896 GXOVVZIQNWMHQM-QWRGUYRKSA-N 301.358 3.007 0 40 DGAB COC(=O)CCCC(=O)c1ccc(Br)cc1F 575362179 LRFZMVLUIQNWHX-UHFFFAOYSA-N 303.127 3.114 0 40 DGAB OC1(COc2ccc(F)cc2)CCN(C2CCCCC2)CC1 585281944 UYDZZXIVCLVGAU-UHFFFAOYSA-N 307.409 3.364 0 40 DGAB Cc1c[nH]nc1C[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 585182121 MXHMHRAUJAQHRL-MRXNPFEDSA-N 323.440 3.231 0 40 DGAB CC(C)CC[C@H](C)NC(=O)c1nc(N2CCCC2)ncc1Cl 47537624 FMBYNQMSFKCBKC-LBPRGKRZSA-N 324.856 3.285 0 40 DGAB CN(C(=O)NC1CCCCC1)C1CCN(c2ccccn2)CC1 66149117 NJGXMGZMUWETFK-UHFFFAOYSA-N 316.449 3.025 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1F 76056514 QOYHDRJWOWDHNZ-IIYDPXPESA-N 304.409 3.123 0 40 DGAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4cccc(F)c4)cc1c32 5153662 UVLPSRVEWMWTRG-NSHDSACASA-N 324.355 3.474 0 40 DGAB Cc1cccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)c1 5440525 WRAITRUCGKFTSJ-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](CNC(=O)c2cccs2)C1 12185311 IVFTZMNASHOFIA-LBPRGKRZSA-N 324.446 3.125 0 40 DGAB C[C@H]1CCCN(C(=O)/C=C/c2c(Cl)nc3sccn23)C1 12584606 XOQDZHPLVHGXKE-YEZKRMTDSA-N 309.822 3.321 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CC(=O)N2CC 17288924 OVSVREONUNLECC-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB CCOc1ccc(NC(=O)Cc2cc(OC)ccc2OC)cc1 5240647 KMZYUNFXRADRCH-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1 1472501 ZQQXAKDVLSDVKQ-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB O=C(COc1ccccc1)NCCOc1cccc2ccccc12 5873831 PXUCBGFPGHZBSY-UHFFFAOYSA-N 321.376 3.414 0 40 DGAB CCCCO[P@](C)(=O)O[C@H](C(=O)OCC)C(F)(F)F 3183372 BBBFSMOJRZSRHP-YLVJLNSGSA-N 306.217 3.137 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCO[C@@H](c2ccncc2)C1 1848353124 NTYSZKGNDKGGDT-LJQANCHMSA-N 322.408 3.174 0 40 DGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@H](C)C(C)C)c12 22506203 MBYPTSYPBTYIHT-LLVKDONJSA-N 302.422 3.174 0 40 DGAB CCOC(=O)c1cn(C(c2ccccc2)c2ccccc2)nn1 2087121447 WQQMSKVGXQZYAC-UHFFFAOYSA-N 307.353 3.093 0 40 DGAB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@H](c2ccccc2)NC(=O)N1 36762 WMVIAMRXUDYHAP-WFASDCNBSA-N 316.401 3.292 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2c2ccsc2)C1 46088354 JLNPPZFYNSGUHU-IJEWVQPXSA-N 306.475 3.390 0 40 DGAB COc1ccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)cc1 20737533 JTIFMZMTTCDEMU-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB COCc1ccccc1NC(=O)N[C@H]1CCOc2ccccc21 46032025 XYXJHGYJBVSPGP-INIZCTEOSA-N 312.369 3.478 0 40 DGAB O=C(NC1CC1)[C@@H](Sc1nccn1C1CC1)c1ccccc1 11894550 MMLSJGOCEJXXQS-HNNXBMFYSA-N 313.426 3.330 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccccc1OC 8041530 PKUBFBVOPSXWBA-OAHLLOKOSA-N 317.360 3.308 0 40 DGAB CCc1nnc(NC(=O)CCn2ccc3ccccc32)s1 21289303 AOHFGTRNZUTPCU-UHFFFAOYSA-N 300.387 3.084 0 40 DGAB CCCCc1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 32770092 SHMMJSHKQQDSBL-OAHLLOKOSA-N 319.380 3.125 0 40 DGAB O=C(Cc1ccc(-n2cccc2)cc1)NCCOc1ccccc1 32817821 JCMXFGUJBSXPMI-UHFFFAOYSA-N 320.392 3.215 0 40 DGAB Cc1cccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)c1 20491795 XGTPYRVKZMMWEO-UHFFFAOYSA-N 322.408 3.047 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)[nH]1 60739818 XUNYUBZFAFGVHW-LBPRGKRZSA-N 304.349 3.120 0 40 DGAB Nc1c2c(nc3ccn(-c4ccccc4)c(=O)c13)CCCCC2 545206 WCIKATKAUVLGJH-UHFFFAOYSA-N 305.381 3.237 0 40 DGAB Cc1c([C@@H](C)NC(=O)N2CCC[C@H]2c2cccs2)cnn1C 47007471 XYICGJPLOXBBCE-RISCZKNCSA-N 318.446 3.398 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCCc1cccc(Cl)c1 8167896 MBCTZHNPHXQQHP-ZRDIBKRKSA-N 321.829 3.473 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(OCC(F)(F)F)cc2)n1 22968601 FKQAFRRVAFTPTN-UHFFFAOYSA-N 324.302 3.261 0 40 DGAB COc1ccc([C@@H](CNC(C)=O)c2c[nH]c3ccccc23)cc1 23573115 HRAIADYGTQVPIM-QGZVFWFLSA-N 308.381 3.445 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 108981402 ZJGCPFWGNUVCHP-AVGNSLFASA-N 320.820 3.139 0 40 DGAB C[C@@]1(C(=O)NCCOc2ccc(Cl)cc2)CC1(Cl)Cl 23746509 PHBHJHYXHBPHGM-LBPRGKRZSA-N 322.619 3.419 0 40 DGAB Cc1c(-c2ccccc2)sc2nc(-c3cnccn3)[nH]c(=O)c12 54753260 QHAXXSJXBJJRLP-UHFFFAOYSA-N 320.377 3.417 0 40 DGAB CCN(C(=O)c1ccccn1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106754014 KZBYAZPOTCUKDD-SJLPKXTDSA-N 323.440 3.379 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 101275241 FOLSAIFRWOCCOV-INIZCTEOSA-N 308.381 3.301 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 25375109 IHLOAGYWSPWYPD-RYUDHWBXSA-N 321.364 3.394 0 40 DGAB O=C(C=C1CCCCC1)N(Cc1cccnc1)C[C@@H]1CCCO1 56985346 UPFBMSGKSNWXMR-SFHVURJKSA-N 314.429 3.480 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1F 20460752 MATBBCKFTKMENM-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB CCN1CCC[C@@H]1CNC(=S)Nc1ccc(F)c(Cl)c1 3318019 ZRDUFXALZTZLEF-LLVKDONJSA-N 315.845 3.250 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cnc(Cl)c(Cl)c1 3354038 KZBRXYBRJHXPBT-UHFFFAOYSA-N 311.124 3.369 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2cc(F)cc(F)c2)c1C 58332965 RQBMRDLYXGEQOR-UHFFFAOYSA-N 320.339 3.085 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccnc2Cl)cc1 3396882 TVISBWCXPFJSSP-LLVKDONJSA-N 318.760 3.227 0 40 DGAB O=C1C[C@H](C(=O)Nc2cccc(F)c2)c2ccc(F)cc2N1 12799590 ZCLCHZCQGPXWMK-ZDUSSCGKSA-N 302.280 3.029 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1C 12799980 YPOFZBXDKAYCAW-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 48342654 XJAASDGZUCRXRM-GDBMZVCRSA-N 314.429 3.187 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C 22510285 WXXOMSOPBYNAJU-SFHVURJKSA-N 313.397 3.477 0 40 DGAB COc1ccc([C@H](C)N2CCC(C(=O)N(C)C)CC2)cc1Cl 69442119 ILHPIBCOHWIBHB-LBPRGKRZSA-N 324.852 3.210 0 40 DGAB CCO[C@@H](C)C(=O)N(CCc1ccccc1)Cc1ccncc1 69517034 RRAHCPDPVVWIRK-INIZCTEOSA-N 312.413 3.078 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 65564520 ZPHZFCYRNMOPNO-FUHWJXTLSA-N 323.440 3.171 0 40 DGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(O)cc3)C2)cc1 4539040 WXKVOFFSQRHMBS-SFHVURJKSA-N 310.353 3.098 0 40 DGAB O=C(C[S@](=O)C/C=C/c1ccccc1)Nc1cccc(F)c1 66294379 OIAZXOBMXDWJHF-PABBZOGXSA-N 317.385 3.226 0 40 DGAB Cc1nc(N[C@H](C)C(=O)N2CCCCC2)nc(C)c1CC(C)C 80226170 WOAPKAKUOFFMCQ-OAHLLOKOSA-N 318.465 3.105 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccccc2Cl)C1 67801125 VMBMRJCGCMAPDV-ZDUSSCGKSA-N 310.825 3.439 0 40 DGAB Cn1c2c(c(SCc3ccc(Cl)cc3)nc1=O)CCC2 15840338 FPSNZMMERKBKCM-UHFFFAOYSA-N 306.818 3.215 0 40 DGAB Cc1nc(CNC(=O)COc2ccc(C(C)C)cc2)cs1 15832272 ZPDHMYUVSXGWJK-UHFFFAOYSA-N 304.415 3.270 0 40 DGAB CCc1ccc(C(=O)Nc2cc(NC(C)=O)ccc2OC)cc1 8705973 DHHGDGXRHNKGHG-UHFFFAOYSA-N 312.369 3.468 0 40 DGAB Cc1ccccc1OCC(=O)Nc1onc2c1C[C@H](C)CC2 9135225 PSYWBPZRKBUMPH-LLVKDONJSA-N 300.358 3.125 0 40 DGAB CC(C)[C@@H](Sc1nncs1)C(=O)Nc1ccc(F)cc1 9691820 FFOIRHVWICPORF-LLVKDONJSA-N 311.407 3.433 0 40 DGAB Cc1ccoc1C(=O)NCCOc1ncc(Cl)cc1Cl 89701964 JMPRBSBCASDSSO-UHFFFAOYSA-N 315.156 3.099 0 40 DGAB OCc1ccc(CN2CC[C@H](CSc3ccccc3)C2)o1 93757069 GCDUNBKIJLFZEG-AWEZNQCLSA-N 303.427 3.386 0 40 DGAB CC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 9479378 CYFXLVLIYGYPNL-UHFFFAOYSA-N 320.295 3.499 0 40 DGAB Cc1ncc2c(n1)CN(Cc1cc(F)cc3cccnc13)CC2 71859678 GOVFCOVUWRDTJP-UHFFFAOYSA-N 308.360 3.031 0 40 DGAB CC(=O)NC(C)(C)c1noc(C2(Cc3ccccc3)CCC2)n1 89954579 BFAPVLHMVKGWLN-UHFFFAOYSA-N 313.401 3.105 0 40 DGAB C[C@@H](CNC(=O)C1(Cc2ccccc2)CCC1)Cn1ccnc1 89900576 CVCOWZWRDYCFQH-INIZCTEOSA-N 311.429 3.048 0 40 DGAB Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@@H]1CCCc3ccccc31)C2 72271696 GJWPFTWMWYLXCX-DLBZAZTESA-N 323.440 3.133 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)o1 97018890 SBYKTCMIVSQZNW-STQMWFEESA-N 319.744 3.051 0 40 DGAB NC(=O)c1cccc(NC(=O)N(Cc2cccs2)C2CC2)c1 84374412 MJSWHLFBGMHFRI-UHFFFAOYSA-N 315.398 3.044 0 40 DGAB CN(C)CCSc1nc2ccccc2c(=O)n1C1CCCC1 72737935 MHIGYSSHPIIZKX-UHFFFAOYSA-N 317.458 3.165 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)n[nH]1 76060516 HQFUZHNHJAJLCN-DZGCQCFKSA-N 315.417 3.438 0 40 DGAB CN(Cc1ccco1)Cc1ccccc1CNC(=O)c1ccc[nH]1 76022861 FWEUZKMTMIPOSF-UHFFFAOYSA-N 323.396 3.170 0 40 DGAB CC(C)=CC(=O)Nc1ccc(CC(=O)Nc2ccnc(C)c2)cc1 95403558 RMNQSPSNLOBWQN-UHFFFAOYSA-N 323.396 3.476 0 40 DGAB Cc1cscc1C(=O)N1CCN(c2ccncc2Cl)CC1 95437769 YGRYOCMSSVIGDG-UHFFFAOYSA-N 321.833 3.067 0 40 DGAB COCCCCC[S@@](=O)c1ccc(Br)cc1 95426038 QBEJXOYNGTXOQB-INIZCTEOSA-N 305.237 3.373 0 40 DGAB CCOc1cccc2c1CC[C@H]2NC(=O)NCCC(F)(F)F 95404566 GSTKRIOTCKZVHL-GFCCVEGCSA-N 316.323 3.324 0 40 DGAB CCc1nc2c(s1)[C@H](NCCOc1cccnc1)CCC2 95422458 NGEIAFVPTFCKDA-CYBMUJFWSA-N 303.431 3.147 0 40 DGAB CC(=O)Nc1cccc(CN(Cc2ccccc2)[C@H](C)CO)c1 76089607 DPGSLLIZNZSMAJ-OAHLLOKOSA-N 312.413 3.028 0 40 DGAB CCCO[C@H]1CCCN(C(=O)Nc2cnn(CC(C)C)c2)CC1 76082474 NEJVZPKJKNSWPO-INIZCTEOSA-N 322.453 3.352 0 40 DGAB CC(C)[C@H](C)N(CC(F)(F)F)C(=O)c1ccc2nccn2c1 74583167 GWDXEGZNPLFSPH-NSHDSACASA-N 313.323 3.383 0 40 DGAB NC(=O)c1cccc(NC(=O)c2ccc(-c3ccc(F)cc3)o2)c1 9908657 RYHXWWFQDDBHBH-UHFFFAOYSA-N 324.311 3.437 0 40 DGAB COc1cccc(CCNC(=O)CCCc2ccc(C)cc2)n1 75108974 BLHKJKNBGQOKKE-UHFFFAOYSA-N 312.413 3.080 0 40 DGAB CC(C)(C)OC(=O)N1CCCN(C(=O)Oc2ccccc2)CC1 79285269 RLNVXSYIPBKZQX-UHFFFAOYSA-N 320.389 3.128 0 40 DGAB Cc1cnn(C)c1C(=O)Nc1nc2c(C)ccc(C)c2s1 38506475 BXFGPHSQGGHQJS-UHFFFAOYSA-N 300.387 3.207 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCCC[C@H]1c1ncc[nH]1 78978690 YZOREQKSYMNSFX-LBPRGKRZSA-N 305.765 3.136 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@@](C)(O)c2ccccc2)cc1 70639584 VZSIGOXSPQPFLS-LJQANCHMSA-N 313.397 3.111 0 40 DGAB Cc1nc(COc2ccc(C(C)(C)C)cc2)ncc1C(=O)O 217397970 ONCFCEFUMLJVLY-UHFFFAOYSA-N 300.358 3.360 0 40 DGAB CNC(=O)c1ccc(-c2csc(CCC(=O)O)c2)cc1C 517759992 YCBPGQYQOIFEEQ-UHFFFAOYSA-N 303.383 3.100 0 40 DGAB Cc1cc(C)c2cc(C(=O)O[C@@H](C(N)=O)c3ccccc3)[nH]c2c1 39539354 BFSGHDWGYBZTNP-QGZVFWFLSA-N 322.364 3.168 0 40 DGAB C[S@@](=O)Cc1ccccc1NC(=O)C1CCC(F)(F)CC1 185968434 TYZBEAZQBRRPBP-OAQYLSRUSA-N 315.385 3.329 0 40 DGAB CCOCCS[C@@H](C)c1nc(N)nc(Nc2ccccc2)n1 32863422 QSYSXMGNKVBFFT-NSHDSACASA-N 319.434 3.028 0 40 DGAB Cn1ccc2c(C(=O)Oc3cccc(-c4nnco4)c3)cccc21 77940708 LXTGFJMNHRVEMA-UHFFFAOYSA-N 319.320 3.448 0 40 DGAB CCOc1ccc(S(=O)(=O)NCCC(C)C)cc1Cl 74935383 IBGLEWXKBCFCDB-UHFFFAOYSA-N 305.827 3.063 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](Cc2cccc3cccnc23)C1 72368241 JUGRKVFEMWUCQH-OAHLLOKOSA-N 317.392 3.335 0 40 DGAB CC(C)CCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225380589 AVSUFDIWFVTZBK-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB Cc1cc(C(=O)N[C@H]2COc3ccccc32)nc2ccccc12 195738766 IHIXDPOVTRJBOX-KRWDZBQOSA-N 304.349 3.407 0 40 DGAB CCc1cc(N)cc(C)c1NC(=O)c1cc(OC)cc(OC)c1 45889914 VOVMFXHFKBQZAI-UHFFFAOYSA-N 314.385 3.409 0 40 DGAB O=C(Cc1ccccc1Cl)NC[C@@H]1COc2ccccc21 74913708 FWUKFDLIBWKRIZ-CYBMUJFWSA-N 301.773 3.175 0 40 DGAB COC(=O)c1cc2cc(NC(=S)NC(C)C)ccc2s1 225211578 LBLWPXOEIDJKGI-UHFFFAOYSA-N 308.428 3.383 0 40 DGAB CCOc1cc(-c2nc(-c3cccc(O)c3)n[nH]2)ccc1OC 85385046 OKQJTOHFGIWYPV-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB CO[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[C@H]1C 190256490 YDKCOJIIMINRIS-PXAZEXFGSA-N 316.401 3.094 0 40 DGAB C[C@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O 90518245 RBUMWEATONXZAT-MFLXSWDHSA-N 307.459 3.180 0 40 DGAB O=C1c2ccccc2CCN1C1CCN(Cc2ccccc2)CC1 146954406 OPXOZAGFWUHNBL-UHFFFAOYSA-N 320.436 3.350 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H](c2ccncn2)C1 257303864 SJCKAROWIPEUJT-AWEZNQCLSA-N 315.804 3.079 0 40 DGAB O=C(NCc1cccs1)c1cc(OCc2ccccc2)no1 90610012 JRHKQYQDBOPSFV-UHFFFAOYSA-N 314.366 3.245 0 40 DGAB Cn1c(CNc2cc(CO)ccc2Cl)nc2ccccc21 97032357 KPEZFEBXVKLTBL-UHFFFAOYSA-N 301.777 3.331 0 40 DGAB Cc1csc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)n1 102588487 YKAKJLVKADZDLE-CPWXYTRJSA-N 306.431 3.111 0 40 DGAB O=C(NCC[C@H](O)C1CC1)Nc1ccc(Cl)c(Cl)c1 77108810 LKSOFGASZYFNEK-LBPRGKRZSA-N 303.189 3.276 0 40 DGAB c1cc(CSCc2nnc(C3CC3)o2)c2c(c1)OCCO2 95403755 FMWISBKZGONZMW-UHFFFAOYSA-N 304.371 3.152 0 40 DGAB CCOc1ccc(C(=O)Nc2ncccc2C)cc1OCC 5333150 HEMZIYYGWVLCBV-UHFFFAOYSA-N 300.358 3.440 0 40 DGAB COc1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1 11636401 WRMAWXCVBAHDJG-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB Cc1c[nH]c(=O)nc1SCc1ccc(C(F)(F)F)cc1 15952215 HTLLUHMOEFABJF-UHFFFAOYSA-N 300.305 3.389 0 40 DGAB O=C(O)C[C@H](SCc1ccc(Cl)cc1Cl)C(=O)O 16385026 IKEGZLIUDXZRQE-VIFPVBQESA-N 309.170 3.155 0 40 DGAB CCc1nnc(SCc2ccc(Cl)c(Cl)c2)n1N 5236574 YKMFLBMIPYTTON-UHFFFAOYSA-N 303.218 3.153 0 40 DGAB CN1CC=CC[C@@H](C2CCN(Cc3ccc(F)cc3)CC2)C1=O 19696040 UPBKBXHGEHBKHO-SFHVURJKSA-N 316.420 3.072 0 40 DGAB Cc1cccc2sc(N3CCC[C@@H](NC(=O)C4CC4)C3)nc12 1888873384 XMLVEAUKFGRDMF-CYBMUJFWSA-N 315.442 3.100 0 40 DGAB CC(=O)Nc1ccc(N2C(=O)CC(c3ccccc3)CC2=O)cc1 4558231 AOXVIQYZVDVTFY-UHFFFAOYSA-N 322.364 3.082 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccc2c(c1)OCO2 11899800 BPOKOBBDYLYFNL-UHFFFAOYSA-N 313.328 3.016 0 40 DGAB Cc1cccc2n/c(=N\C(=O)c3ccc(Cl)cc3)sn12 12462994 ISYWTCYPHJLAKZ-SAPNQHFASA-N 303.774 3.099 0 40 DGAB CO[C@@H](CCSC)CNC(=O)c1cccc(C(F)(F)F)c1 1775967409 QLQAPVMQIUIHES-LBPRGKRZSA-N 321.364 3.203 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NC[C@H](OC)c1ccco1 206869574 AMNCWVMBJXOLNM-AWEZNQCLSA-N 324.764 3.451 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1cccs1 585148113 OMJCNRQWYVUTRB-CQSZACIVSA-N 313.378 3.472 0 40 DGAB CC(C)C(=O)Nc1ccc(CNC(=O)c2cc(Cl)c[nH]2)cc1 40488102 SJMGZYBXMAJMIX-UHFFFAOYSA-N 319.792 3.193 0 40 DGAB C[C@H]1CC[C@@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@@H]2C1 100623937 KGZGAVOSMRBVRK-LEWSCRJBSA-N 306.793 3.131 0 40 DGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1 260556 OJQJPWXTIMRLEE-CQSZACIVSA-N 308.353 3.021 0 40 DGAB C[C@]1(C(=O)CSc2nc3ccccc3s2)CCC(=O)O1 2454379 BEJMNIXFDRYNAM-CQSZACIVSA-N 307.396 3.053 0 40 DGAB Cc1nnc2sc(-c3ccc(NC(=O)C(C)(C)C)cc3)nn12 558672 DYOWBCMDEILUKM-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB Cc1ccc(SCC(=O)c2ccc(S(C)(=O)=O)cc2)cc1 31682458 SNCKVMPXMKOZMD-UHFFFAOYSA-N 320.435 3.374 0 40 DGAB NC(=O)c1cc(NC(=O)/C=C/c2ccsc2)ccc1Cl 29019800 TVKIPLLSCXKQQO-DAFODLJHSA-N 306.774 3.152 0 40 DGAB Cc1cccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)c1 40510888 MDBBAULOSPLWFD-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)cc1 1993665 MQMQAPHRRBINNC-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=c1nc2n(c3ccccc13)CC/C2=C/c1ccc2c(c1)OCO2 101488781 GOSMGOVWVHJPKD-LCYFTJDESA-N 318.332 3.070 0 40 DGAB CC[C@@H](c1ccc(O)cc1)c1cc2c(cc1OCCO)OCO2 6002046 CIPKBKDEDXOSEZ-AWEZNQCLSA-N 316.353 3.034 0 40 DGAB C/C=C/c1cc(C(=O)OCc2cc(C)no2)cc(OC)c1OC 32842849 KWYVVXFRRDTDHA-AATRIKPKSA-N 317.341 3.390 0 40 DGAB C[C@@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCCCCC1 32850897 ROQANUXUILPOLO-ZDUSSCGKSA-N 312.421 3.134 0 40 DGAB C[C@H](c1nc(N)nc(Nc2ccccc2)n1)N1CCCCCC1 32850896 ROQANUXUILPOLO-CYBMUJFWSA-N 312.421 3.134 0 40 DGAB CC1CCN(CCCNC(=O)[C@H](C)Sc2ccccc2)CC1 10540283 UQIYRSJJFJMERZ-INIZCTEOSA-N 320.502 3.405 0 40 DGAB Cc1c(NC(=O)COc2ccc(Cl)cc2)cccc1C(=O)O 20144148 LVRUDQKXMVLTCQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CC(=O)NC(=S)Nc1cc(-c2nc3ccccc3[nH]2)ccc1C 9063949 JGJSYPNJXFQAIZ-UHFFFAOYSA-N 324.409 3.371 0 40 DGAB O=C(CSCc1cccnc1)N1CCC[C@@H]2CCCC[C@@H]21 41774940 SPZASPUAGKAEGY-HOTGVXAUSA-N 304.459 3.496 0 40 DGAB Cc1cnn(C(=O)[C@@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 2777813 AEZPLUPDSHNFPB-MRVPVSSYSA-N 320.702 3.270 0 40 DGAB Cc1noc([C@@H]2CCCN(CCOC3CCCCCC3)C2)n1 71913993 YRIZNEVUCZYBTM-OAHLLOKOSA-N 307.438 3.297 0 40 DGAB O=C(NC[C@@H](O)c1ccc(Cl)s1)c1ccc2cc[nH]c2c1 75272083 DTNMVZRVGXPHAD-GFCCVEGCSA-N 320.801 3.346 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2ccc3c(c2)CCC(=O)N3)n1 27018287 XPWKRCXNVUCLJR-SNVBAGLBSA-N 300.362 3.251 0 40 DGAB CCc1c(C(=O)Nc2ccccn2)cnn1-c1ccc(C)cc1 23109334 LAZIQJLAPSGTTR-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Clc1cncc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 54551911 YTEFOOVQEWDURI-GFCCVEGCSA-N 317.776 3.243 0 40 DGAB O=C(c1cccnc1S)N1CCC(c2ccc(O)cc2)CC1 55234432 PCKVOHCOYQPYPT-UHFFFAOYSA-N 314.410 3.096 0 40 DGAB Cc1c(C(=O)Nc2cc(F)ccc2F)nnn1-c1ccccc1 54857151 DJXTZPDOYKCELE-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(F)cc2)C1 55506499 NGWVEKMYBHIMSO-WMLDXEAASA-N 304.409 3.221 0 40 DGAB Cc1nnc(COC(=O)c2ccsc2-n2c(C)ccc2C)o1 25113430 LOBYBBFBZMYMPT-UHFFFAOYSA-N 317.370 3.204 0 40 DGAB CCc1noc(C)c1C(=O)Nc1cccc(Cn2ccnc2)c1 25174037 MXENQYVSMXELCV-UHFFFAOYSA-N 310.357 3.043 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)Nc2ccncc2)CC1 56499231 IBSNXTUFQPHEBI-UHFFFAOYSA-N 309.369 3.208 0 40 DGAB C[C@H](c1ccccc1)[C@@H](CC(=O)NC1CCCCC1)C(=O)O 35142224 KBHOYRFPYOFLLH-CZUORRHYSA-N 303.402 3.330 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnco2)c1 44087327 GCMWCKGOGMTXPW-FZMZJTMJSA-N 300.362 3.437 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1n[nH]c(=O)c2ccccc12 10219112 YRJMKDUKRXVBAV-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccs1 27664246 HQFFASQBQDDZMB-LBPRGKRZSA-N 306.456 3.377 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2F)c(C)c1 29046275 CIIFLUGUAAOLNO-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1ccccc1-c1noc(CN(C[C@H](C)O)c2ccccc2)n1 58407522 LZWLZQYRIJGYMN-HNNXBMFYSA-N 323.396 3.432 0 40 DGAB COc1ccc(OC)c(NC(=O)CNc2cccc(Cl)c2)c1 3399461 LEWFUHLNAMWQNO-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB CC(C)CNC(=O)N[C@@H](C)c1ccc(NC(=O)C2CC2)cc1 12972433 HAIGDNGQVNNQEG-LBPRGKRZSA-N 303.406 3.051 0 40 DGAB CC(C)C[C@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)O 12940849 KGRYLNMZCAFGKT-MFKMUULPSA-N 309.431 3.102 0 40 DGAB O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/Cn1ccnc1 12960056 BPNMUDGJWOZWLV-AUNFYEFLSA-N 311.385 3.241 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)COC1CCCCC1 69352043 NMNKFIQGEYOTEU-JKSUJKDBSA-N 303.402 3.017 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 3507307 IOVCTAGNTRVGRJ-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(C)N(CCNC(=O)c1cc2cc(F)ccc2[nH]1)C(C)C 13007009 UZZKCOLKRNKARR-UHFFFAOYSA-N 305.397 3.156 0 40 DGAB Cc1ccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)cc1 13185172 SPAWZLINJDREBM-UHFFFAOYSA-N 323.392 3.254 0 40 DGAB Cc1nnc2n1CCN(C(=O)c1ccc(C3CCCCC3)cc1)C2 69490437 CSFSUGFLFNWGQT-UHFFFAOYSA-N 324.428 3.290 0 40 DGAB Cc1cc(C)c(NC(=O)Cn2nnc3ccccc32)c(Cl)c1 5298497 CPBVIUCDJMAYQU-UHFFFAOYSA-N 314.776 3.340 0 40 DGAB CSc1nnnn1-c1cc(OC(C)C)c(Cl)cc1Cl 5284786 ZPWUZYNGWVCTMA-UHFFFAOYSA-N 319.217 3.478 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CSC(=S)N2CCCC2)c1C 5286744 XEDLXHSSIJTNTP-UHFFFAOYSA-N 324.471 3.131 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2F)c1 14138857 ZWKDMCUCWVVNDB-UHFFFAOYSA-N 320.751 3.481 0 40 DGAB C[C@@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 69697816 CEQSXNIWRNNCOA-CYBMUJFWSA-N 318.376 3.367 0 40 DGAB Cc1nnc(NC(=O)Cc2ccc(Cl)cc2Cl)s1 14715832 PVSFFFKJAGGCQW-UHFFFAOYSA-N 302.186 3.335 0 40 DGAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 69845547 FSKKYLXMHPPVGJ-UWVGGRQHSA-N 313.348 3.049 0 40 DGAB CCc1ccc(C(=O)CS(=O)(=O)c2cc(F)ccc2F)cc1 67340712 YBDXPNXNAGFPBC-UHFFFAOYSA-N 324.348 3.184 0 40 DGAB COCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 7471867 LKABDUGZZQZIRV-UHFFFAOYSA-N 313.353 3.180 0 40 DGAB CCc1c(C(=O)Nc2ccc(C)cc2)nnn1-c1ccccc1 8715274 XEOSMWSBPGRCDY-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Fc1cccc(CN2CCN(Cc3cccc(F)c3)CC2)c1 19293866 JGRVLGFOOFURAI-UHFFFAOYSA-N 302.368 3.283 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCc2ccc(C)c(F)c2)c1 9113862 OKAVBOBDRUQMOO-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB COc1cc(-c2ccccc2)ccc1CN1CCC(C(N)=O)CC1 96004843 GSFZIALCZXAAQS-UHFFFAOYSA-N 324.424 3.060 0 40 DGAB O=S(=O)(NC(C1CC1)C1CC1)c1cccc2ccccc12 83981137 LNQMOHVHJZEADQ-UHFFFAOYSA-N 301.411 3.307 0 40 DGAB O=C(NCCc1ccncc1)Nc1ccnn1C1CCCCC1 96475568 VGIYUAPMUGYLGS-UHFFFAOYSA-N 313.405 3.148 0 40 DGAB CC(C)COCCNC(=O)c1cccc(Oc2nccs2)c1 96413134 GJEBPLVNDQBKFX-UHFFFAOYSA-N 320.414 3.338 0 40 DGAB CCc1ccc([C@H](COC)NC(=O)c2ccc(Cl)nc2)o1 96423268 PIXWONIZECJULU-LBPRGKRZSA-N 308.765 3.008 0 40 DGAB CCc1noc(C)c1C(=O)N1CCCC[C@H]1c1nccs1 72298575 ZOVITSICDNUVFT-LBPRGKRZSA-N 305.403 3.369 0 40 DGAB Cc1ccccc1[C@@H](CC(=O)O)NC(=O)c1cccc2cc[nH]c12 97036530 RKBHELFQZGGJMW-MRXNPFEDSA-N 322.364 3.422 0 40 DGAB COCCOC[C@H]1CCN(c2c(C)c(C)nc3ccccc23)C1 97085973 POQYNAHPHGLEEG-INIZCTEOSA-N 314.429 3.341 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1c(F)cccc1Br 84245104 BPHZGGMNXPDLPQ-VIFPVBQESA-N 316.170 3.486 0 40 DGAB COC(=O)c1ccc(CSc2nnc(-c3cccs3)o2)o1 28229975 YVZXFRYZEAPSQG-UHFFFAOYSA-N 322.367 3.470 0 40 DGAB CCn1nc(C)c(C(=O)N[C@@H]2COc3c2ccc(C)c3C)c1C 77334805 MPZABVFTICTQJI-OAHLLOKOSA-N 313.401 3.000 0 40 DGAB CC(=O)Nc1nc(C(=O)O[C@H]2C[C@H]3C[C@@H]([C@H]2C)C3(C)C)cs1 95373440 MVFKEGXAVNJOKO-GOONRYMUSA-N 322.430 3.329 0 40 DGAB Cc1cc(CNC(=O)N(C)Cc2cc(Cl)cn2C)c(C)o1 95411312 QPXMPUUWXOWSHG-UHFFFAOYSA-N 309.797 3.230 0 40 DGAB CCc1nn(C)c(Cl)c1CN1CCc2cc(F)c(F)cc21 95468651 HQWNJGNJVGYQBV-UHFFFAOYSA-N 311.763 3.477 0 40 DGAB C/C(=C\c1ccccc1)CNC[C@@H]1CCO[C@@H]1c1cnn(C)c1 98052803 ITHKCIFGPXWUIH-ZAAORLFUSA-N 311.429 3.191 0 40 DGAB O=C(Nc1ncc(-c2ccccc2)s1)NC1CCOCC1 79648194 ULMOWLZERPOWMX-UHFFFAOYSA-N 303.387 3.111 0 40 DGAB CSc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1 64572886 DLMXYBLNMKAIOY-CYBMUJFWSA-N 321.467 3.491 0 40 DGAB COC(=O)Nc1ccccc1C(=O)N(C)c1ccc(F)cc1 79044075 FTGLUZJXPROPDI-UHFFFAOYSA-N 302.305 3.281 0 40 DGAB COc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 35425863 HXTHYZVUCUGQGJ-ZDUSSCGKSA-N 316.405 3.323 0 40 DGAB biogenic,in-vitro CCc1ccc2occ(CC(=O)N(C)C3CCN(C)CC3)c2c1 39893224 RIMXEFAMHXAYPV-UHFFFAOYSA-N 314.429 3.090 0 40 DGAB CSc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 123370349 WGDRLTNKPPQOJE-UHFFFAOYSA-N 324.405 3.362 0 40 DGAB CN(C)c1ncc(NC(=O)c2ccc(Cl)cc2Cl)cn1 125077962 UJRCWDCDUQKQGD-UHFFFAOYSA-N 311.172 3.102 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccccc2Cl)C1=O 36635391 DINUMHFRCTYLRJ-AWEZNQCLSA-N 314.772 3.392 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC 225131888 MGMBVGRTBDRXGV-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB O=C(c1cnnc2ccccc12)N1CCC[C@H](C(F)(F)F)C1 527778427 XHKMWOVZKWJUGG-JTQLQIEISA-N 309.291 3.044 0 40 DGAB CCc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@@H]2CO)cc1 81471129 HLXZBUQCAFATTJ-IAOVAPTHSA-N 304.434 3.160 0 40 DGAB CCOc1ncc(NC(=O)C2(OC)CCCCCC2)cc1C 225888625 HMMXKRJOJCQXJM-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB Cc1ccccc1OCCNC(=O)Cc1cccc(Cl)c1 225130174 FRYMVCXXDIVGST-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc3nccnc3n2)CC12CCCCC2 571136399 QQYTVYJWAWEWBT-AWEZNQCLSA-N 324.428 3.457 0 40 DGAB c1ccc(CNc2nc(N3CCCC3)c3ccccc3n2)nc1 41148418 FNOKENVBGGISIH-UHFFFAOYSA-N 305.385 3.237 0 40 DGAB CCN(CC)CCCOc1ccc(NC(=O)C(C)(C)OC)cc1 225599482 PRLCHAPOYZUGOY-UHFFFAOYSA-N 322.449 3.161 0 40 DGAB COc1ccc(NC(=S)NCc2cccc(F)c2)cc1OC 225836631 ZUUYRLPWXFWMMH-UHFFFAOYSA-N 320.389 3.330 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)Nc2cccc3c2CCNC3)c1 576627448 QJHNFNPGHPGRMV-AWEZNQCLSA-N 310.397 3.047 0 40 DGAB COc1ccccc1CS(=O)(=O)Cc1ccc(F)cc1F 95409542 KXNSPPMASWICJE-UHFFFAOYSA-N 312.337 3.088 0 40 DGAB COC1(CNC(=O)Nc2c(F)cc(F)cc2Cl)CCC1 96500274 DJPNVXFGJACLLZ-UHFFFAOYSA-N 304.724 3.309 0 40 DGAB CC[C@H](COC)NC(=O)c1ccc(-c2cc(-c3cccc(OC)c3)n[nH]2)cc1 97372355 HOSLTJLMYDNDLC-ZWNOBZJWSA-N 379.460 3.907 0 40 DGAB COc1c(F)cc(NC(=O)N[C@H]2CC[C@H](SC)C2)cc1F 96434192 JRBIOIKDHGBJNE-WPRPVWTQSA-N 316.373 3.379 0 40 DGAB COC(=O)C[C@H](C)S[C@H](C)c1nc(-c2ccccc2)no1 96406316 MHZSWLJKYHQGAY-WDEREUQCSA-N 306.387 3.482 0 40 DGAB O=C(O)CO[C@H](c1cccc(Br)c1)C(F)(F)F 95096412 MDGKTPQCPLPTJL-SECBINFHSA-N 313.069 3.154 0 40 DGAB Cn1cnc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)c1 257284863 PEQKWAVKXRZRLM-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB O=C(O)CCc1cccc([C@H]2CCCN2Cc2ccccc2)n1 257283202 OXEFYHBJUIUGGK-GOSISDBHSA-N 310.397 3.436 0 40 DGAB CN1CCC(Cc2cccnc2-c2cccc(C(=O)O)c2)CC1 257334293 YFHBNKLDXLVTRF-UHFFFAOYSA-N 310.397 3.331 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCCC[C@@H]1c1ccn[nH]1 257245028 INVFEHSJNSYFSQ-QGZVFWFLSA-N 306.369 3.325 0 40 DGAB O=C(c1ccc(-c2ccccc2)cc1)N1CCc2ncncc2C1 96122824 WEZCTECZTGGGIG-UHFFFAOYSA-N 315.376 3.342 0 40 DGAB COc1c(CN[C@H]2CC(C)(C)Cc3oc(C)cc32)c(C)nn1C 65542065 FEFSIILPRTWQSO-HNNXBMFYSA-N 317.433 3.442 0 40 DGAB Cc1nnc([C@@H](C)N(C)CCc2ccc(Br)cc2)o1 69703968 XBQDRRPGFYTJLD-SNVBAGLBSA-N 324.222 3.376 0 40 DGAB Nc1cc(Br)ccc1NC(=O)Cc1ccccc1 20520847 LBFZBDCFGQWLSA-UHFFFAOYSA-N 305.175 3.213 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](N)c1ccccc1C(F)(F)F 19796177 FDHWWVABOPXSGH-NSHDSACASA-N 304.312 3.230 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2cccc(Cl)c2)cc1 7248823 QPJJAANNMNUVDS-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB O=c1c2ccccc2[nH]c(=S)n1CCOc1ccc(F)cc1 28962238 OQKOWRYDBGXNAW-UHFFFAOYSA-N 316.357 3.277 0 40 DGAB CCCCCC(=O)N1CCN(C(=O)Nc2ccc(F)cc2)CC1 30255501 RVVFJVMZAQKZBI-UHFFFAOYSA-N 321.396 3.082 0 40 DGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953018370 IPCUTCFTYVJMAT-HXUWFJFHSA-N 308.425 3.154 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1 5439935 NXJPABNKZBQKQW-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB Cc1nc(SCC(=O)N2CCC(C)CC2)c2ccsc2n1 6239046 AFKBGKKOEMXSOY-UHFFFAOYSA-N 321.471 3.350 0 40 DGAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1cccs1 8862551 WKAMNBICNJMVCR-ZDUSSCGKSA-N 306.456 3.377 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1nc2c(F)cccc2s1 11696042 WWSOYPNRIYPJFA-UHFFFAOYSA-N 304.350 3.213 0 40 DGAB O=C(NC[C@H](c1ccco1)n1cccn1)c1cc2ccccc2o1 575614230 PYNMTPKHLCHDIN-CQSZACIVSA-N 321.336 3.242 0 40 DGAB O=C(NCc1cc(C2CC2)ncn1)c1cccc2ccccc12 585360342 GIJHUWKJCJWZNS-UHFFFAOYSA-N 303.365 3.437 0 40 DGAB Cc1ccccc1OC[C@@H](O)CN(C)[C@@H]1CCc2ccccc21 40049834 JSHQYXIKYNOEOR-PKOBYXMFSA-N 311.425 3.354 0 40 DGAB Cc1cc(NC(=O)NCc2ccc(F)cc2C(F)(F)F)no1 40096721 YFGUDQDXLMCTPH-UHFFFAOYSA-N 317.242 3.463 0 40 DGAB CCN(Cc1cccc(C)c1)Cc1cc(=O)n2cccc(C)c2n1 40091297 UPYPPIHSJFWGSJ-UHFFFAOYSA-N 321.424 3.333 0 40 DGAB O=C(O)c1ccc([C@@H]2NCc3ccccc3-n3cccc32)cc1 56292 KSERTGUHLVIODL-SFHVURJKSA-N 304.349 3.368 0 40 DGAB Cc1cccc(SCC(=O)Nc2ccc3c(c2)OCCO3)c1 2534584 WDWQRHMTFYQBOA-UHFFFAOYSA-N 315.394 3.497 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)cn1 1358328 JLRYSAPHEKSRGG-UHFFFAOYSA-N 313.357 3.081 0 40 DGAB CCCc1nnc(NC(=O)N2CCc3ccccc3C2)s1 40526704 FVBXFFYWBQAZIX-UHFFFAOYSA-N 302.403 3.081 0 40 DGAB CCCCCOC(=O)c1ccc(NC(=O)CNC(C)(C)C)cc1 1671736 CSYIVHQALOBGRV-UHFFFAOYSA-N 320.433 3.360 0 40 DGAB Cc1ccc(N2C(=O)c3ccc(C(=O)OC(C)C)cc3C2=O)cc1 220271 HWUCSQWVYRPYLE-UHFFFAOYSA-N 323.348 3.361 0 40 DGAB CSC1=N[C@@H](C(Cl)(Cl)Cl)N=C(c2ccccc2)N1 6794390 CQHSLGJCWYDJJW-VIFPVBQESA-N 322.648 3.452 0 40 DGAB O=C(NCCCOc1ccccc1)NCCc1cccs1 29324414 IJQOCEPUBFDNHC-UHFFFAOYSA-N 304.415 3.059 0 40 DGAB O=C(O)c1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886058 RRSKKGUEORWHEA-MRXNPFEDSA-N 308.337 3.114 0 40 DGAB Cc1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)[nH]n1 71962776 ZBLRJWPUGUNTCN-MNOVXSKESA-N 309.291 3.479 0 40 DGAB COCCN(Cc1csc(-c2ccoc2)n1)CC(F)(F)F 71900595 KFYHTBGDXLQAEC-UHFFFAOYSA-N 320.336 3.414 0 40 DGAB Cc1cc(C)cc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 8500107 IAQVMZGJHMHYDD-CQSZACIVSA-N 324.380 3.056 0 40 DGAB CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@@H](O)C2)cc1 32720067 DEVVQAKYFYBLHH-MRXNPFEDSA-N 319.445 3.126 0 40 DGAB CCN1CCOc2ccc(NC(=O)c3cccc(C)c3)cc2C1=O 9828146 MSFKEBDUCCAFJJ-UHFFFAOYSA-N 324.380 3.102 0 40 DGAB Cc1cc(CNC(=O)CCC(=O)c2cccs2)cc(C)c1O 32937104 REMDOBGIGVFNIZ-UHFFFAOYSA-N 317.410 3.350 0 40 DGAB CC(C)n1cnc2c(NCC3CC3)nc(C3CCNCC3)cc21 107489371 DLVDVXPESVQOHN-UHFFFAOYSA-N 313.449 3.301 0 40 DGAB CN(C)[C@@H](CNc1ncnc2ccsc12)c1cccs1 53496572 JAYNTLRMHJHWMA-NSHDSACASA-N 304.444 3.468 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1cccnc1Cl 22408635 XWXSNVSJZSHLDB-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB COc1ccc(NC(=O)c2cn(C)c3ccccc23)c(OC)c1 12527947 GKVYVDSOUGSHPK-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB O=C(Nc1ccccn1)c1ccc(OCc2cccnc2)cc1 24567732 VSNLARGBHITYLL-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB C=C1c2ccccc2NC(=O)N1Cc1ccc(C(=O)N(C)C)cc1 24969487 YNCUWMBFLGAPIW-UHFFFAOYSA-N 321.380 3.407 0 40 DGAB O=C(NCc1ccccn1)c1ccccc1C(=O)c1cccs1 25705803 XSKQMSVCAQITQZ-UHFFFAOYSA-N 322.389 3.304 0 40 DGAB Cc1ccc(C(=O)Cn2cnc3sc(C)c(C)c3c2=O)cc1 1980247 DCUGWZDROWWFFV-UHFFFAOYSA-N 312.394 3.266 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)OCC(F)(F)F 58140691 KCQWYGWPPAYGNO-SNVBAGLBSA-N 319.327 3.304 0 40 DGAB CCc1nc(CN[C@H](c2ccccc2)c2nccn2C)cs1 58227704 GAJKNZFPJFGHLZ-MRXNPFEDSA-N 312.442 3.318 0 40 DGAB Cc1ccc2nc(C)c(C(=O)NO[C@@H]3CCCCO3)cc2c1 58329548 CHWLKBAMNZDFHB-MRXNPFEDSA-N 300.358 3.040 0 40 DGAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N1CCC[C@@H]1c1ccccc1 58380157 RQCWFVDAUQYXTI-RYQLBKOJSA-N 317.429 3.324 0 40 DGAB COc1ncccc1NC(=O)N[C@H]1CCSc2ccccc21 48414139 ZECPTDBVDVJIHE-LBPRGKRZSA-N 315.398 3.449 0 40 DGAB Cc1ccc(C)c(CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)c1 3545617 RFVCDDZCDHKRCY-HXUWFJFHSA-N 320.392 3.197 0 40 DGAB Cc1ccc(C(=O)NCC2CCN(Cc3ccccc3)CC2)cn1 63080509 FAUYOISSYDLDTB-UHFFFAOYSA-N 323.440 3.032 0 40 DGAB O=c1[nH]c2ccc(NC(=S)Nc3ccc(Cl)cc3)cc2[nH]1 13479365 CQBPVNHXLKWZJE-UHFFFAOYSA-N 318.789 3.319 0 40 DGAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(Br)c1 49548469 UPYZHPKROLVTMO-JTQLQIEISA-N 306.163 3.306 0 40 DGAB Cc1ccc(C)c2sc(NC(=O)[C@@H](C)n3ccnc3)nc12 69513455 IXUMOPLCLCJBLC-LLVKDONJSA-N 300.387 3.309 0 40 DGAB CC[C@@H]1c2ccsc2CCN1CCC(=O)Nc1cc(C)on1 39992516 UZTHGWOLOHEVRM-CYBMUJFWSA-N 319.430 3.383 0 40 DGAB COc1cccc(OC)c1OCC(=O)Nc1ccc(C)c(C)c1 5294371 KHMRNNWVQFYPJT-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccc(F)c2)c1C 8776304 ITENEZCGYBFQGB-UHFFFAOYSA-N 302.349 3.245 0 40 DGAB C[C@H]1CN(C(=O)c2sc3sccc3c2Cl)CCO1 65495224 GAKCEVKBCYCQJC-ZETCQYMHSA-N 301.820 3.477 0 40 DGAB Cc1nnc2ccc(C(=O)N[C@@H](C)c3cc4ccccc4o3)cn12 65589167 MUXMYUGBHQIXJR-NSHDSACASA-N 320.352 3.275 0 40 DGAB O=C(O[C@@H]1CCOC1=O)c1ccc(Oc2ccc(F)cc2)cc1 8522398 ZOAIBPWCQRWSJB-OAHLLOKOSA-N 316.284 3.090 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCCCC1 4746188 HXGMJPIMGMMQTP-QGZVFWFLSA-N 318.436 3.440 0 40 DGAB CC1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 5614465 NWUZXISCGOLQOM-UHFFFAOYSA-N 318.436 3.296 0 40 DGAB CCOC(=O)Nc1ccc(C(=O)N(C)Cc2ccco2)cc1 17791481 SQMMZHJFLJMKRB-UHFFFAOYSA-N 302.330 3.120 0 40 DGAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66772063 PQAFVVABFIPOHP-OAHLLOKOSA-N 301.386 3.312 0 40 DGAB Cc1noc(C)c1CNC(=O)[C@@H](C)Oc1ccc(Cl)cc1 67756273 MLGFQHDHQDANEL-LLVKDONJSA-N 308.765 3.029 0 40 DGAB COc1cc(OC)c(NC(=O)CCc2cccnc2)cc1Cl 8780301 YEFJTVZHUYQHPU-UHFFFAOYSA-N 320.776 3.324 0 40 DGAB c1ccc2oc(-c3noc([C@@H]4CCn5cncc5C4)n3)cc2c1 96009447 LMFXBGVNRSILPU-GFCCVEGCSA-N 306.325 3.409 0 40 DGAB O=C1C[C@@H](c2nc(-c3cccs3)no2)CN1c1ccccc1 9317986 UGASJYYUJUKIKP-LLVKDONJSA-N 311.366 3.319 0 40 DGAB O=C(Nc1nnc(-c2ccco2)s1)c1ccc(F)cc1F 9544702 FHXFXZVAIDYOOB-UHFFFAOYSA-N 307.281 3.329 0 40 DGAB Cc1oc(-c2ccco2)nc1CN[C@H](C)[C@H](C)n1cccn1 71882113 HVXGTOAZJOXUMT-NEPJUHHUSA-N 300.362 3.179 0 40 DGAB CCCc1noc(CN2CCCN(C)c3cc(F)ccc32)n1 72308378 CBWLBFRKQUJZPW-UHFFFAOYSA-N 304.369 3.008 0 40 DGAB COc1cc(C(=O)N[C@H](C)CCC(C)C)cc2c1OCCO2 84510228 OBAQBYUTGGQLLJ-GFCCVEGCSA-N 307.390 3.021 0 40 DGAB CCCN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCc2occc21 95393129 YJFQXRTWBNGXKB-OAHLLOKOSA-N 316.405 3.012 0 40 DGAB C[C@@H](CCn1cncn1)N[C@H]1CC2(CCC2)Oc2ccccc21 95423614 IQYVQRDZUCEHPL-HOCLYGCPSA-N 312.417 3.093 0 40 DGAB CCOc1cccc([C@@H]2C[C@H]2Nc2cc(-n3ccnc3)ncn2)c1 95463044 RDCJETLOISJFHF-JKSUJKDBSA-N 321.384 3.029 0 40 DGAB CCSCCCn1nc(C2CC2)cc(C(F)(F)F)c1=O 84812081 RVPYOZAQUFMCFE-UHFFFAOYSA-N 306.353 3.283 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1C[C@H]2CC=CC[C@H]2C1 95961374 AAAGNWPNWQOEHH-XWTMOSNGSA-N 312.457 3.459 0 40 DGAB CCNCc1ccccc1NC(=O)[C@H]1CCOc2ccccc21 95952881 XHRIQERUQXWFEZ-INIZCTEOSA-N 310.397 3.301 0 40 DGAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C)CC[C@@H]1C 95962677 AQVJMPVRACYPMO-KBPBESRZSA-N 323.458 3.129 0 40 DGAB Cc1c(Cl)ccc2ccc(NC[C@@]3(CCO)CCOC3)nc12 95986671 NWTXESVHKSTCRA-QGZVFWFLSA-N 320.820 3.398 0 40 DGAB C[C@H](C(=O)O)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 95970101 XTIAJTLPVLXFQY-MRVPVSSYSA-N 324.789 3.009 0 40 DGAB Cc1nccn1CCCNC(=O)N1CCC[C@]2(CC=CCC2)C1 79349321 HQEMCVDEKIHRTB-GOSISDBHSA-N 316.449 3.114 0 40 DGAB Cc1nc(CNCCNc2ncccc2C(F)(F)F)cs1 75109614 DDVWRMOPSJPOKJ-UHFFFAOYSA-N 316.352 3.067 0 40 DGAB O=C(NCc1ccccc1Cl)Nc1ccc2c(c1)OCO2 28227154 CDJHQTYVVSALCV-UHFFFAOYSA-N 304.733 3.390 0 40 DGAB Cc1cn2c(=O)cc(COc3ccccc3Cl)nc2s1 21368829 HXRNLGNCPSXYER-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB CCCn1nccc1C(=O)Nc1nc2ccccc2n1CCC 28246137 IFUXKFYJSRQIKR-UHFFFAOYSA-N 311.389 3.305 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 30850973 MSAPFZYKKAZYBW-KGLIPLIRSA-N 311.381 3.440 0 40 DGAB N[C@@H]1C[C@@H]2C[C@H](c3nc(Cc4cccc(Cl)c4F)no3)C[C@@H]21 1553318548 WKZULZCITCVTND-MRBYEJRBSA-N 321.783 3.294 0 40 DGAB COc1ccc(OC)c(-c2cc(-c3cccs3)nc(N)n2)c1 71977635 PBWNSFDPQMILLD-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1C 30751588 WMVGMAAVWGLBKZ-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1nccs1 72404542 PHETYMIKIMLMLM-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB Cc1cncc(C(=O)O[C@H](c2ccccc2)c2nc(C)no2)c1 79706954 YXAMPZXUBXETGA-OAHLLOKOSA-N 309.325 3.028 0 40 DGAB COCCC1(NC(=S)Nc2ccc3c(c2)OCO3)CCCC1 225852191 IFBOFDROHALNPN-UHFFFAOYSA-N 322.430 3.051 0 40 DGAB Cc1ccccc1C[C@@H](C)NC(=O)NC[C@H]1COc2ccccc21 568926397 XQKBDWKRWSPEKQ-WBVHZDCISA-N 324.424 3.401 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1F 225096191 WCQAAXQNLLLETM-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB Cc1nc(NC(=S)NC2CC2)c(Cl)cc1Br 224029584 SPOHMCRENICNRJ-UHFFFAOYSA-N 320.643 3.255 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)c1csnn1 96420964 DPNSDKCHUKQQIB-VIFPVBQESA-N 321.711 3.225 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 96441055 CJTJVZXDASUAEY-AZUAARDMSA-N 323.440 3.061 0 40 DGAB O=C(NCc1nccn1Cc1ccccc1)Nc1ccc(F)cc1 96433622 FEGIPGFNRDAISG-UHFFFAOYSA-N 324.359 3.392 0 40 DGAB Cc1ccc(NC(=O)Cc2nc3c(s2)C(=O)CCC3)cc1 97377616 LBDZOUNHIICAMQ-UHFFFAOYSA-N 300.383 3.152 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)N1CCc2[nH]ncc2C1 96454178 KGGWPPAYARQEDA-UHFFFAOYSA-N 319.792 3.050 0 40 DGAB COc1ccccc1C1=NO[C@](C)(C(=O)Nc2ccccc2)C1 96193083 WLCNPORPSUCNLV-SFHVURJKSA-N 310.353 3.217 0 40 DGAB CCCn1nc(C)c(CN2CCO[C@@H](c3ccc(C)o3)C2)c1C 93864612 BAMRGYCCMRMEKU-GOSISDBHSA-N 317.433 3.385 0 40 DGAB CN(CCCO)C1CCN(Cc2cc3ccccc3s2)CC1 93394799 GRZBRKTVLFXLOQ-UHFFFAOYSA-N 318.486 3.180 0 40 DGAB COC(=O)[C@H](Sc1nnc(CSC)o1)c1ccsc1 252497345 QEIQWGWOLFGRBO-SECBINFHSA-N 316.429 3.001 0 40 DGAB Fc1cc(F)cc(CNCc2ccnn2CC(F)(F)F)c1 256052777 OPXSOGNQVXALRE-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB Cc1c[nH]c([C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 257206640 BEIVUIUTKDVQRA-KRWDZBQOSA-N 319.412 3.165 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 96122337 MGRXORUKKBNINV-QGZVFWFLSA-N 317.433 3.366 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2cccs2)n2cccn2)c(C)o1 575605197 OAXWXBIFOIZUMD-CQSZACIVSA-N 315.398 3.174 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)CCc1c(C)noc1C 45249893 HZJPUHDOUNAFCH-CYBMUJFWSA-N 316.401 3.452 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)n1 54662655 XWWSDRIEFYENIK-SNVBAGLBSA-N 323.755 3.190 0 40 DGAB O=C(NCCc1nc2c(s1)CCCC2)c1cccnc1Cl 69777841 BIHKPYIVQHDYNG-UHFFFAOYSA-N 321.833 3.043 0 40 DGAB CN1CCN(c2ccc3c(ccn3C(=O)OC(C)(C)C)c2)CC1 80443524 FPLHDBMJDDHYER-UHFFFAOYSA-N 315.417 3.176 0 40 DGAB Cc1cccc(N2CCN(CCCCNC(=O)COC(=O)c3ccnn3C)CC2)c1 97372129 ZZMQQYXITBAZHN-LBPRGKRZSA-N 413.522 1.604 0 40 DGAB CSc1ccc(CN2CCN(c3nccs3)CC2)cc1 54621306 CVUNQZZOTIJWPK-UHFFFAOYSA-N 305.472 3.187 0 40 DGAB Cc1c(-c2ccccc2)n[nH]c1C(=O)NCCCc1ccccn1 12143784 DQIPDVVZIARXED-UHFFFAOYSA-N 320.396 3.143 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@H](c2n[nH]c3ncccc23)C1 13266716 ZKXJHGRNGXKUHX-KGLIPLIRSA-N 310.401 3.020 0 40 DGAB COc1ccc(N)cc1NC(=O)c1cccc(Br)c1 19477728 LWDUDZWBXGLCCD-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1F 10755233 AGMVKECXUCGLDF-UHFFFAOYSA-N 301.317 3.434 0 40 DGAB c1c(C2CCOCC2)nc(C2CC2)[nH]c1=NC1CCCCC1 1888855841 QNGIYQMCGZUMQL-UHFFFAOYSA-N 301.434 3.415 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1cccc(Cl)c1F)C1CCCC1 21843883 YITGHTAZRSLMSR-AWEZNQCLSA-N 312.772 3.113 0 40 DGAB CC[C@H](Sc1nccn1C1CC1)C(=O)Nc1cc(C)on1 29075226 LAUJRBLKDKTSOJ-NSHDSACASA-N 306.391 3.024 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)c1cc(Cl)ccc1F 31540555 AGJMBJMPUZEBQT-CYBMUJFWSA-N 307.756 3.020 0 40 DGAB Cc1c(Cl)ccnc1C[S@@](=O)c1nc2ccccc2[nH]1 22056188 RAPCQINSRSZSKF-FQEVSTJZSA-N 305.790 3.228 0 40 DGAB in-vitro O=C(NCc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc21 342124374 OVYCERCTMDYIHP-CYBMUJFWSA-N 316.788 3.315 0 40 DGAB COc1cccnc1N1CCC(O)(c2ccc(Cl)cc2)CC1 2298045837 WICONGGBMTYYDR-UHFFFAOYSA-N 318.804 3.232 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](O)c1cccs1 75155982 AVMBWCGKOMHTOT-SBDDDAINSA-N 307.802 3.265 0 40 DGAB C[C@@]1(C(=O)Nc2ccccc2-n2cccn2)CC1(Cl)Cl 40133800 UDIHERRWOCWFRN-ZDUSSCGKSA-N 310.184 3.395 0 40 DGAB COC(=O)c1csc(NC(=O)Cc2c[nH]c3ccccc23)c1 83895666 PHTOGCJWPIUHPW-UHFFFAOYSA-N 314.366 3.197 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 44753 ZMXNZYWCRIBJHX-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(C3CCCC3)C2)c1 7399691 KYBUKBDVWHCIGU-AWEZNQCLSA-N 300.402 3.033 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc2c(c1)CCC2 6322620 IREQYYWPZMFNSE-UHFFFAOYSA-N 309.365 3.128 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 32496804 GMYUEBZYFFJSGU-GHMZBOCLSA-N 323.776 3.263 0 40 DGAB O=C(Nc1nncs1)c1ccccc1SC[C@H]1CCCO1 21216358 VXQBAKDEGSAIOG-SNVBAGLBSA-N 321.427 3.062 0 40 DGAB Cc1ccsc1C(=O)NC[C@H](C)N1CCc2sccc2C1 32817177 AZWQJMCJPUCIBN-LBPRGKRZSA-N 320.483 3.295 0 40 DGAB Cc1noc(Cl)c1CC(=O)NCCCc1cccc(F)c1 68497765 LNJZNYWXKVKFDJ-UHFFFAOYSA-N 310.756 3.067 0 40 DGAB Cc1cc(C(=O)OCC(=O)NCCC2=CCCCC2)c(C)o1 8345053 WPSAWXYKITWLIC-UHFFFAOYSA-N 305.374 3.060 0 40 DGAB O=C(NCCCn1cnc2ccccc21)NC1CCCCC1 52662616 JQBZFWJWADRABX-UHFFFAOYSA-N 300.406 3.058 0 40 DGAB CC(C)c1noc(CCC(=O)N2CCc3sccc3[C@@H]2C)n1 33163619 HLIOQUULRVCGDQ-NSHDSACASA-N 319.430 3.333 0 40 DGAB Cc1cc(C(=O)Nc2ccc(CN(C)C)cc2)c2c(C)noc2n1 29952125 KGZRPZDRLFBMSU-UHFFFAOYSA-N 324.384 3.154 0 40 DGAB COC(=O)c1cc(-c2cccs2)nc2c1c(C1CC1)nn2C 2740456 NUUNMATVTAUKLV-UHFFFAOYSA-N 313.382 3.361 0 40 DGAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 101276820 BKUHVAKAIVFITM-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CC(C)(C)[C@H]1CCc2sc(C(=O)Nc3nc[nH]n3)cc2C1 23143343 JTNQVMQMWJZODL-JTQLQIEISA-N 304.419 3.270 0 40 DGAB Cc1ccc(F)c(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 54355708 CNNHGBBRBSVOFJ-CYBMUJFWSA-N 318.352 3.154 0 40 DGAB O=C(CNC(=O)N1CCCCCCC1)Nc1ccc(Cl)cc1 54649237 RHMQXYHLICSTDL-UHFFFAOYSA-N 323.824 3.254 0 40 DGAB COc1ccc(CNCc2c[nH]nc2-c2ccc(OC)cc2)cc1 12538768 YCMNPZCXZSZBSO-UHFFFAOYSA-N 323.396 3.384 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NCc1cccc(O)c1)C2 107089846 XHIZGKSYWBBUHV-YEWWUXTCSA-N 302.418 3.406 0 40 DGAB O=C(NCC1(c2ccc3c(c2)OCO3)CCCCC1)N1CCC1 56966968 OKHNUCFRIFSTCP-UHFFFAOYSA-N 316.401 3.033 0 40 DGAB Cc1ccc(NCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@H]3C2=O)cc1Cl 2068263 RMSHFGVVXREOHT-HGSJOUDDSA-N 318.804 3.049 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)c3ccco3)cc2)C[C@@H](C)O1 58193284 MYQJQNCIKNFVEP-CHWSQXEVSA-N 300.358 3.146 0 40 DGAB CCCCC[C@H](C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 25348109 ZAKLFBWRRBFMRM-SMDDNHRTSA-N 306.381 3.337 0 40 DGAB CCCCNC(=O)Nc1c(C(=O)OCC)[nH]c2ccccc12 2227067 ZQRFADTZWMGVKK-UHFFFAOYSA-N 303.362 3.266 0 40 DGAB COCCCN(C)C(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3 58427402 CRAJBYCJHKHXDN-CYBMUJFWSA-N 314.429 3.401 0 40 DGAB CCOC(=O)c1ccoc1COC(=O)c1ccc(C)c(C)c1 3342716 FNEGJNZTRZXLNP-UHFFFAOYSA-N 302.326 3.430 0 40 DGAB CNC(=O)N(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 45300057 OYYHCSJTDDAYCE-CYBMUJFWSA-N 308.385 3.358 0 40 DGAB O=C(c1ccco1)N1CCC(Nc2nc3ccccc3o2)CC1 12768070 BPEZYRIOQCQMNJ-UHFFFAOYSA-N 311.341 3.138 0 40 DGAB COc1cccc(-c2noc(CN3CCc4ccccc4C3)n2)c1 12910244 UJAYIKBLPGSUFQ-UHFFFAOYSA-N 321.380 3.304 0 40 DGAB Fc1ccccc1OCCN1CCN(c2ccccc2F)CC1 48614341 XATWXUAXYRRNSW-UHFFFAOYSA-N 318.367 3.166 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2ccc(OC)c(F)c2)c1 7920502 USMIZMPQLKZTGP-UHFFFAOYSA-N 319.332 3.033 0 40 DGAB Cc1nnc(SCC(=O)c2c[nH]c3ccccc23)n1C1CC1 8038805 GPCREHTXWHYKMC-UHFFFAOYSA-N 312.398 3.378 0 40 DGAB CSc1sc(NC(=O)CCOCC(F)(F)F)nc1C 69570965 QFAYBUYDEOMPHD-UHFFFAOYSA-N 314.354 3.081 0 40 DGAB CCCc1ccc(C(=O)CN2C(=O)c3ccccc3C2=O)cc1 6383779 VNXYJWAFDZFPEC-UHFFFAOYSA-N 307.349 3.118 0 40 DGAB NC(=O)c1ccc(OCC(=O)c2cccc3ccccc23)cc1 14139390 RVABRZHASWMXOW-UHFFFAOYSA-N 305.333 3.200 0 40 DGAB CC1CCN(CCCNC(=O)Cc2cccc(Cl)c2)CC1 67901289 SXDIPIMNRGERQM-UHFFFAOYSA-N 308.853 3.121 0 40 DGAB S=C(Nc1ccc(N2CCOCC2)cc1)NC1CCCCC1 5559542 UGJSDLOTNJJUFQ-UHFFFAOYSA-N 319.474 3.142 0 40 DGAB COc1ccnc(Oc2ccc(Cl)cc2)c1-c1nc[nH]n1 5625686 YJOUWSNXOUKRMB-UHFFFAOYSA-N 302.721 3.321 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1c(F)cccc1Cl 70039939 GELPVQIWAMRQFT-SJORKVTESA-N 324.827 3.454 0 40 DGAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@@H]2c2ccc(O)cc2)cc1 5818277 ZDNSPQUFFBNPGK-SFHVURJKSA-N 319.364 3.482 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N[C@H]1CCCc2occc21 69922363 MVRJXIGLBWBCEB-ZDUSSCGKSA-N 317.414 3.490 0 40 DGAB CCOC[C@H]1CCCN(C(=O)N[C@H]2CCc3ccc(F)cc32)C1 71905362 LHNJVNXCYVHORZ-GUYCJALGSA-N 320.408 3.271 0 40 DGAB O=C(OCCOc1cccc(Cl)c1)c1n[nH]c2ccccc12 8724204 NJBSIPASLYLFMA-UHFFFAOYSA-N 316.744 3.452 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl 19736208 YHNCJDKABVPKDU-SNVBAGLBSA-N 320.776 3.337 0 40 DGAB Cc1cccc(-c2nn(-c3ccccc3)cc2CNCCCO)c1 9376751 CJSGCYBNFXGQDD-UHFFFAOYSA-N 321.424 3.320 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@](C)(O)c2cc(C)oc2C)c1 76084616 DGVRVSLNQVBZIK-SFHVURJKSA-N 301.386 3.151 0 40 DGAB O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)c1cscn1 96412547 IZFSIUUEORAHCF-HUUCEWRRSA-N 318.398 3.078 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)s1 71870437 QINNJGQWWHKCJP-FXUDXRNXSA-N 318.486 3.245 0 40 DGAB Cc1noc(C)c1CNC(=O)C1(c2cccc(Cl)c2)CC1 71826970 PAXCBKWZDSIUHA-UHFFFAOYSA-N 304.777 3.293 0 40 DGAB CCc1nc([C@@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)no1 76043938 FUYSNHNZNADVDO-GJZGRUSLSA-N 311.385 3.026 0 40 DGAB Cn1c(CNC(=O)Nc2ccccc2Cl)nnc1C1CCC1 97162153 BGXDLJGUDAGPPN-UHFFFAOYSA-N 319.796 3.058 0 40 DGAB COC(=O)[C@@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(C)C 84409557 LJRUNALFKVWOAY-KRWDZBQOSA-N 324.380 3.249 0 40 DGAB Cn1cc(CCOC(=O)c2csc(-c3ccsc3)n2)cn1 95397432 VGEUSOPPVBJVJS-UHFFFAOYSA-N 319.411 3.005 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@H](SC2=NCCS2)C1=O 95398114 WESUAPMDISJSCS-ZDUSSCGKSA-N 324.446 3.466 0 40 DGAB CNC(=O)c1cccc(CN[C@H](C)c2ccc3c(c2)CCC3)c1 95420957 RWBONRXEBAHUJQ-CQSZACIVSA-N 308.425 3.386 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cc[nH]c12 95417756 SNCKKDVYDGNLSP-SUMWQHHRSA-N 308.381 3.410 0 40 DGAB O=C1CC[C@H](N[C@@H]2CCCSc3ccc(Cl)cc32)CN1 95968069 IIFKTVBSKKYWEM-WCQYABFASA-N 310.850 3.135 0 40 DGAB C[C@@H](CC(=O)N(C)C)N[C@H](C)c1ccc(-c2ccncc2)cc1 95968811 WXRKGLUVLDENIU-LSDHHAIUSA-N 311.429 3.266 0 40 DGAB Cc1ccc2nc([C@@H]3CCCN3c3ncnc4c3CCC4)[nH]c2c1 515264709 ASTWYVQPMOPLAF-KRWDZBQOSA-N 319.412 3.492 0 40 DGAB O=C(O)c1cc(Br)c(OCc2ccccc2)cc1O 216934118 JHDDHJINRMNSQW-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccnn1C 189483436 GJENSCKMUWANTO-LRDDRELGSA-N 305.809 3.036 0 40 DGAB CCOc1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 33145386 OGKNNCDNBDVFNN-QGZVFWFLSA-N 310.353 3.217 0 40 DGAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c(C)c1 37530309 KNQHFBWODOQHRM-DAYGRLMNSA-N 305.462 3.329 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@@H](C)CO[C@@H](c2ccccc2)[C@@H]1C 78879703 PAPAFNJUWDWHQR-PLQHRBFRSA-N 314.385 3.282 0 40 DGAB Cc1cc(CN(C)[C@H](C)c2ccncc2)ccc1-n1cncn1 183716331 FANOFRMLUAATIO-OAHLLOKOSA-N 307.401 3.164 0 40 DGAB COC(=O)[C@@H](C)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1 2362803793 LQAAQTHQAMERSF-LBPRGKRZSA-N 319.401 3.297 0 40 DGAB C[C@@](O)(CNC(=O)/C=C/c1ccccc1Cl)c1ccccc1 70639601 DAZXCZCGKIJRNJ-IENJSVCTSA-N 315.800 3.377 0 40 DGAB CC[C@@H](Cc1ccccc1C)C(=O)N[C@@H](CC(C)C)C(=O)O 1573808387 CNXQRTKLRGTWFA-HOCLYGCPSA-N 305.418 3.179 0 40 DGAB CN(CCCNC(=O)Cc1ccc(F)cc1)Cc1ccccc1 40017223 HWKAKEOLQGSUGC-UHFFFAOYSA-N 314.404 3.007 0 40 DGAB O=C(O)c1csc(CN(C2CC2)[C@@H]2CCc3ccccc32)n1 568061937 XQPQJUBOOZNXBV-OAHLLOKOSA-N 314.410 3.493 0 40 DGAB O=C(NCc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 222619147 KPPDEUHCEVMJFI-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(-c3nc(C)cc(=O)[nH]3)c2)cc1 47318216 NAIOMXZCWKOERJ-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB COc1cccc([C@]2(C)NC(=S)N(c3ccc(C)cc3)N2)c1 225345365 KFDZTQLSDCLBNR-QGZVFWFLSA-N 313.426 3.076 0 40 DGAB CCOC(C)(C)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225813548 FCRMBYQKGSUKCV-UHFFFAOYSA-N 305.296 3.468 0 40 DGAB O=C(NCc1ccc(-c2ccco2)nc1)c1ccc2[nH]cnc2c1 225752008 AKUKYRCIWJMJCX-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB COc1ccc(CCNC(=O)[C@H]2CCC(=O)[C@H](C)C2)c(Cl)c1 330514042 DHXKTMWGTLDVPJ-YPMHNXCESA-N 323.820 3.013 0 40 DGAB CCn1cc(CN(C)C(=O)[C@H](Cc2ccccc2)C(C)C)cn1 96417044 PDSZINDNLBEHEL-GOSISDBHSA-N 313.445 3.376 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1C[C@@H](c2ccsc2)C[C@H]1C 97230955 KCNZHRHAXNSHHT-OCCSQVGLSA-N 323.458 3.432 0 40 DGAB COc1cccc(Cl)c1CC(=O)N(C)Cc1nc(C)cs1 97378312 CWBALUPVLIWKDM-UHFFFAOYSA-N 324.833 3.315 0 40 DGAB COC(=O)c1cc(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)ccc1F 96434168 WEODUYNLGIMIAN-VXGBXAGGSA-N 318.348 3.042 0 40 DGAB FC(F)(F)c1ccccc1[C@@H]1CN(C[C@@H]2CCOC2)CCO1 96500913 BBPWKCYBARPHAI-WFASDCNBSA-N 315.335 3.115 0 40 DGAB CCOCc1ccccc1NC(=O)N1CC[C@@H](CSC)C1 96418006 DPEBYBKUBBKVDL-CYBMUJFWSA-N 308.447 3.440 0 40 DGAB CCOC[C@@H]1CN(Cc2ccoc2)Cc2ncn(CC3CC3)c21 96060308 HDFLVQZNQQVBLC-INIZCTEOSA-N 315.417 3.022 0 40 DGAB COc1cc(F)c(F)cc1C(=O)C(F)(F)Br 382691674 IVLHTFPVZSGQEM-UHFFFAOYSA-N 301.033 3.144 0 40 DGAB COc1nnc(NC(=O)N[C@H]2CCCC23CCCCC3)s1 666846086 CEWJISBOBXLLKP-JTQLQIEISA-N 310.423 3.171 0 40 DGAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3ccccc3)C[C@H]21 585110010 OWCXHUZDONHVBZ-HOCLYGCPSA-N 307.397 3.012 0 40 DGAB CC(=O)Nc1cc(C(=O)OCc2nc3ccccc3[nH]2)ccc1C 54896068 PPTIKFDECQMASM-UHFFFAOYSA-N 323.352 3.187 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@@H](N2CCCC2)C1 66159631 RNBOOECQCVLRET-OAHLLOKOSA-N 317.433 3.176 0 40 DGAB CCC1(C(=O)O)CCN(Cc2ccc(Br)o2)CC1 62846718 QQWLWNYMMGEVGP-UHFFFAOYSA-N 316.195 3.119 0 40 DGAB Cc1cc(N2CCN(c3cccc(C(F)(F)F)c3)CC2)ncn1 301273756 WAOHAYYSAFCGGL-UHFFFAOYSA-N 322.334 3.130 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1Cc1cccc2ccccc12 5050066 GSZHCEXPKRXQMW-DACLVMHWSA-N 303.361 3.147 0 40 DGAB C[C@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)C(C)(C)C)nc2N1 5272136 LAMVUFDHLBTFEL-AAEUAGOBSA-N 313.405 3.056 0 40 DGAB Cc1c(-c2nc3cnccn3c2NCc2ccccc2)cnn1C 12113883 RHJZKPYLZJUHQC-UHFFFAOYSA-N 318.384 3.050 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[C@H]1C)CC1(CCOCC1)O2 12337448 WNWBDFOCJJTNMC-IJEWVQPXSA-N 315.413 3.140 0 40 DGAB CC(C)OC(=O)c1ccc(NC(=O)CN2CCCCCC2)cc1 13096130 DMKCKXSLAQFGRL-UHFFFAOYSA-N 318.417 3.066 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cc(Cl)ccc1Cl 14258504 XUYWTQNSMXVRMX-UHFFFAOYSA-N 322.151 3.415 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 17054749 YSPLWIOKNGFKMH-MNOVXSKESA-N 314.223 3.377 0 40 DGAB COc1cc(NC(=S)NCCc2cccs2)cc(OC)c1 17056204 VJFMEBXHAFRXBG-UHFFFAOYSA-N 322.455 3.294 0 40 DGAB C[C@H](Cc1csc2ccccc12)NC(=O)C1CCOCC1 575605909 CXNRNXUJHKNBGY-GFCCVEGCSA-N 303.427 3.375 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc[n+]([O-])c1 9051252 RRAQMAVWRVMGHB-UHFFFAOYSA-N 306.321 3.365 0 40 DGAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 129514 SYHHETDFFUCRJZ-HIFRSBDPSA-N 302.418 3.078 0 40 DGAB Cc1c(C(=O)C(=O)Nc2cccc(F)c2)c2ccccc2n1C 4062606 MGXGNHQLNWILSR-UHFFFAOYSA-N 310.328 3.447 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)c3ccc(F)cc3)ccc21 5373616 QTLWQBHXUPEEMG-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB CN1C(=O)c2cc(NC(=O)C3CC3)ccc2Oc2ccccc21 9134458 MHVUBJNFKPWHJW-UHFFFAOYSA-N 308.337 3.417 0 40 DGAB COc1ccc(CCNC(=S)Nc2ccccc2)c(OC)c1 13577071 HFGKAMMBOVGHFQ-UHFFFAOYSA-N 316.426 3.233 0 40 DGAB CCN(Cc1cccs1)C(=O)Cc1sc(S)nc1C 73078997 NVPJHXJINIVNNJ-UHFFFAOYSA-N 312.485 3.393 0 40 DGAB O=C(C[C@@H](NC1CCCCC1)C(=O)O)c1ccc(Cl)cc1 42882 YAIOGSVPLXMJRH-CQSZACIVSA-N 309.793 3.288 0 40 DGAB CCN(CC)c1ccc(CNC(=O)c2ccc3c(c2)CCC3)cn1 40118600 YHGXKRFAMVQJNB-UHFFFAOYSA-N 323.440 3.347 0 40 DGAB CCN(CC)C(=O)c1csc(-c2cccc(OC)c2OC)n1 40493806 MWQNDNGNJGPWPA-UHFFFAOYSA-N 320.414 3.309 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 74591 KBKQLKICTPVNJY-UHFFFAOYSA-N 315.744 3.389 0 40 DGAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1cccnc1 267767 FOYRLHLTHUYQHX-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccs1 90955318 SFZKGXDZSSASOM-TZMCWYRMSA-N 304.415 3.162 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1F 7941631 LKALSZVGZZJMDR-UHFFFAOYSA-N 300.377 3.126 0 40 DGAB CCCCC1=NN(C(=O)c2cocc2C)[C@@](O)(C(F)(F)F)C1 4975313 LWPGAIQNWPBFGL-ZDUSSCGKSA-N 318.295 3.231 0 40 DGAB O=C(COc1cccc(Cl)c1)NCCc1ccc(F)cc1 6049905 BICCLGLHSVYBCR-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 6201099 NRCIIYINZAFCAN-ZFWWWQNUSA-N 318.417 3.263 0 40 DGAB COc1cc(OC)c(C(=O)N[C@H](C)c2ccccc2)cc1OC 365225 VKVUICXOJAJBBP-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CC(=O)O[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(C)cc1 367488 UPQAHSRLTOVTQV-QZTJIDSGSA-N 309.365 3.010 0 40 DGAB CCCOc1ccc(C(=O)CCC(=O)NCc2ccco2)cc1 23042595 PTYXLMYIKGWXCI-UHFFFAOYSA-N 315.369 3.348 0 40 DGAB CC(=O)N1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@H](C)C1 89937488 IRLXNXHHBBZRNB-IAQYHMDHSA-N 314.351 3.052 0 40 DGAB O=C(O)[C@@H](c1c[nH]c2ccccc12)N1CCc2ccccc2C1 12389854 OJOWFLIWNWBZKQ-GOSISDBHSA-N 306.365 3.352 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 8131591 DHMPXHOCTPJXTR-ZDUSSCGKSA-N 321.384 3.428 0 40 DGAB Cc1cc(CN(C)C(=O)c2csc(-c3ccsc3)n2)no1 25137037 IRLJQOWYIHUILY-UHFFFAOYSA-N 319.411 3.440 0 40 DGAB Cc1cc(C)n(C(=O)c2c(C)nn(-c3ccccc3)c2Cl)n1 1506379 LCJMOUVSEAAXJQ-UHFFFAOYSA-N 314.776 3.336 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccccc1 27088059 RWCCCULBVYQCCD-SFHVURJKSA-N 311.429 3.203 0 40 DGAB O=C(Nc1ccc2c(c1)CCO2)c1cncc(Br)c1 27133292 BTYHZXNRPFRHKZ-UHFFFAOYSA-N 319.158 3.031 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccc(F)cc2)c1 60391478 IZYKWNCSBPVFHE-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB Cc1cc([C@@H](C)NC(=O)c2ccc(Cn3cncn3)cc2)c(C)o1 58289897 QYVYUXVMXYAZSP-CYBMUJFWSA-N 324.384 3.027 0 40 DGAB NC(=O)c1ccc(CN(C2CC2)[C@@H]2CCc3ccccc32)cc1 58355079 MXFDOLAQIHUZCT-LJQANCHMSA-N 306.409 3.437 0 40 DGAB COc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1 10747400 PEWMSSMUDXUZCL-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB O=C(O)c1cn(Cc2ccc(F)cc2Cl)nc1C(F)(F)F 408717488 CNDRNIGKEHKPNZ-UHFFFAOYSA-N 322.645 3.441 0 40 DGAB O=C(Cc1cn2ccsc2n1)Nc1ccccc1OC(F)F 12600154 BPBCNGOKVGNSDJ-UHFFFAOYSA-N 323.324 3.178 0 40 DGAB CC(C)(C)Nc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 12602232 HPSXCWYOLZIGBN-UHFFFAOYSA-N 303.387 3.351 0 40 DGAB Cc1cccc(C)c1Nc1nnc(SCC(=O)N(C)C)s1 3321474 QIXUSVHZIPRMSP-UHFFFAOYSA-N 322.459 3.079 0 40 DGAB c1csc(-c2nnc(CSc3nnc4ccccn34)o2)c1 3348182 QTRQNEZGHDECJK-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB CCc1nc(NC(=O)[C@H]2COc3ccccc3C2)sc1C 48345762 SSROAUNCQUBONV-GFCCVEGCSA-N 302.399 3.204 0 40 DGAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 13018267 ISBOAIDLACDWSY-OAHLLOKOSA-N 305.381 3.292 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C)c1ncnc2c1cnn2C 13012196 JNYGCUZZVGBGGW-JTQLQIEISA-N 301.781 3.214 0 40 DGAB C[C@@H](NCc1cnc(-c2ccccc2)nc1)[C@@H](C)n1cccn1 69434595 NPJUIGHPMBVODV-HUUCEWRRSA-N 307.401 3.079 0 40 DGAB CC(=O)Nc1ccccc1OCc1nc2ccccc2nc1C 49890960 GVFMYRSJWUCQOT-UHFFFAOYSA-N 307.353 3.476 0 40 DGAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1ccc(F)cc1 6314512 GBYBXDXNNBGLGI-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB O=C1O[C@@H](C(=O)Nc2nc3ccccc3s2)Cc2ccccc21 4424561 YDSCWVBYCHFQGN-CYBMUJFWSA-N 324.361 3.017 0 40 DGAB O=C(NCc1ccsc1)N1CCO[C@H](c2ccccc2F)C1 65614526 WXSFWNBLZVNNOG-HNNXBMFYSA-N 320.389 3.170 0 40 DGAB CC(=O)N(C)Cc1nc2ccccc2n1Cc1ccccc1C 7425368 YXJDYGKVDLKPOF-UHFFFAOYSA-N 307.397 3.371 0 40 DGAB COC[C@H](C)NC(=S)Nc1ccc(C)cc1Br 16181783 MWLPLJPLUQBKNY-VIFPVBQESA-N 317.252 3.079 0 40 DGAB Cc1cccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)n1 9118306 FDYJUMWCEYFAAI-UHFFFAOYSA-N 309.369 3.159 0 40 DGAB CN(CCc1ccccn1)C(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F 71903845 KKPYVMJAJSGCNJ-HZPDHXFCSA-N 316.351 3.164 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1c(F)cccc12 96023942 XGYHSXBKHPXSPM-UHFFFAOYSA-N 320.364 3.047 0 40 DGAB in-vitro CS(=O)(=O)N(Cc1ccc(Cl)cc1)c1ccc(F)cc1 408625883 JMVKAIXRNBZJBW-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB COc1ccsc1C(=O)N1CCC[C@@H](n2nc(C)cc2C)C1 71879521 VJSCTDUUVVNYIJ-CYBMUJFWSA-N 319.430 3.047 0 40 DGAB Cc1cccc(C[S@@](=O)[C@H](C)C(=O)NC2CCCCC2)c1 71858892 IYXFKRGTRXMACB-SZNDQCEHSA-N 307.459 3.081 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)Cc2cccc(C)c2)c1 71855223 IFMKDHZREMMWHM-AWEZNQCLSA-N 310.397 3.373 0 40 DGAB COc1ccccc1NC(=O)N1C[C@H](O)C[C@@H]1C1CCCCC1 72285609 WFVNFXAGWFFQGN-GDBMZVCRSA-N 318.417 3.243 0 40 DGAB Cc1cscc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)O 97035739 WEWLPVRXNUABAC-RISCZKNCSA-N 303.383 3.248 0 40 DGAB CC(C)[C@@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1N 97147732 IRZKQXBVYHKISH-QGZVFWFLSA-N 324.490 3.466 0 40 DGAB Cn1ccnc1C[C@@H]1CCCN(Cc2cccc3[nH]ccc23)C1 97139186 GYPWFNWIMCCLFO-HNNXBMFYSA-N 308.429 3.356 0 40 DGAB CN(C(=O)c1cc2ccccn2c1)c1nc2ccccc2n1C 97141782 XEVZRMHWXUSKFS-UHFFFAOYSA-N 304.353 3.103 0 40 DGAB O=C(NCc1ccccc1N1CCCC1)[C@H]1C[C@H]1c1ccco1 84504768 ODDZSQPYVBOXFE-CVEARBPZSA-N 310.397 3.300 0 40 DGAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccs1 95348761 YJLIYSTYDMDGIF-NSHDSACASA-N 302.378 3.319 0 40 DGAB Cc1noc(C)c1[C@H](C)CNC(=O)C(=O)c1ccc(Cl)cc1 95434511 XGKHEOWQIYHPHJ-SECBINFHSA-N 320.776 3.047 0 40 DGAB O=C(c1ccc2[nH]c(=S)oc2c1)N1CCCO[C@H]2CCC[C@H]21 73768528 RIUAYJHJTFINDY-OLZOCXBDSA-N 318.398 3.274 0 40 DGAB O=C(Nc1nc2ccc(F)cn2n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1 95975348 WHNPGIKLYPDKIO-JHJVBQTASA-N 316.380 3.413 0 40 DGAB CN(C)Cc1ccc(C(=O)N[C@H]2C[C@@H]2c2ccc(F)cc2)cc1 89319401 RQTHZGCIUWMYQZ-MSOLQXFVSA-N 312.388 3.173 0 40 DGAB Cc1ncsc1CNc1ccccc1CN1CCC(O)CC1 86254458 MJRZGEHVYGWJRO-UHFFFAOYSA-N 317.458 3.020 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1 28224346 RVJBOPNCTKGXTB-JTQLQIEISA-N 322.206 3.408 0 40 DGAB C[C@H](CNC(=O)N(C)Cc1ccco1)Oc1ccccc1F 75316721 JGXCBBODBBHJBO-GFCCVEGCSA-N 306.337 3.028 0 40 DGAB CC(C)c1nc([C@H](C)NC(=O)CCCn2ccnc2)cs1 79310786 URZNOFCZJKCYFR-LBPRGKRZSA-N 306.435 3.121 0 40 DGAB CCCN1CC[C@@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 72371194 VMUZTLRNBVWVFX-CQSZACIVSA-N 317.408 3.370 0 40 DGAB O=C(NCc1ccccc1)N[C@@H](CN1CCCC1)c1ccccc1 36395729 QJAIDXKWYZMCCF-IBGZPJMESA-N 323.440 3.323 0 40 DGAB COc1ccccc1CN(C)C(=O)COc1cc(C)ccc1C 30854829 DIJCJMAJMYHPNV-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC(C)(C)C 223447093 XIUVSCYMHNDRBS-HNNXBMFYSA-N 322.424 3.258 0 40 DGAB COc1ccc(NC(=S)N[C@H](C)COc2ccccc2)cc1 225781780 POJWCHNAIBPIIT-CYBMUJFWSA-N 316.426 3.449 0 40 DGAB Cc1ccccc1Oc1ccnc(CNC(=O)C2=CCCCO2)c1 195532324 WILWNDZZDVHYDM-UHFFFAOYSA-N 324.380 3.493 0 40 DGAB c1cncc(COc2ccc(CN3CCCc4n[nH]cc43)cc2)c1 576320593 CYGWJRDEFRDYSD-UHFFFAOYSA-N 320.396 3.337 0 40 DGAB C[C@@H](CNC(=O)N[C@H](C)c1ccccn1)Oc1ccccc1F 96437617 QXTPMKATPMOZLL-QWHCGFSZSA-N 317.364 3.048 0 40 DGAB CN(C)C(=O)c1ccc(CNc2cc(F)c(F)cc2F)cc1 97236921 KKAHDFOWBQDHAB-UHFFFAOYSA-N 308.303 3.418 0 40 DGAB c1ccc(CN2CCC3(CC2)CC(Oc2cccnc2)C3)nc1 96159348 HQIFCIQMPJCELK-UHFFFAOYSA-N 309.413 3.300 0 40 DGAB CCn1c(CN[C@@H]2CCCc3nc(O)ccc32)nc2ccccc21 580590014 SQOALVMTKWXZDF-CQSZACIVSA-N 322.412 3.324 0 40 DGAB COc1cccc(Cl)c1CC(=O)N[C@H](C)c1c(C)noc1C 97378310 CZXMZKWJOMKBHD-SECBINFHSA-N 322.792 3.373 0 40 DGAB CC[C@@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1 585121514 RJBXEJOFFDJQLE-IAGOWNOFSA-N 308.381 3.129 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2cc(C)c(O)c(C)c2)O[C@@H]2CCC[C@@H]12 257208058 BKMZCZTVMWRYIU-YLFCFFPRSA-N 303.402 3.144 0 40 DGAB CSc1ccc(CN(C)S(=O)(=O)c2ccccc2)cc1 16083832 FFDAVJSNFBBVKD-UHFFFAOYSA-N 307.440 3.229 0 40 DGAB Clc1ncn2nc(-c3ccccc3)nc2c1Br 66054876 YIHLYKHEEQDQCL-UHFFFAOYSA-N 309.554 3.207 0 40 DGAB CC[C@H](NC)[C@H](C)c1ccc2n[nH]c(=O)n2n1 97372205 GCKFBSXNGZJSAH-UWVGGRQHSA-N 235.291 0.519 0 40 DGAB Cc1ccc(CNc2ccc(C)c(NS(C)(=O)=O)c2)s1 89646963 GXMNCESRISZNPR-UHFFFAOYSA-N 310.444 3.349 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCCc3ccccc32)c1 18076816 RYAQEYFBBIZTFQ-UHFFFAOYSA-N 320.392 3.406 0 40 DGAB CCOc1ccc(C2=N/C(=C\c3ccc(OC)cc3)C(=O)O2)cc1 6400684 QKROPQPSNJKUCZ-ATVHPVEESA-N 323.348 3.438 0 40 DGAB O[C@@]1(COc2ccc(F)cc2)CCCN(Cc2ccccc2)C1 2037905576 JFGZNNXMWOATDQ-IBGZPJMESA-N 315.388 3.232 0 40 DGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccc(Cl)cc1 4325606 SEFDXTKULXBNBD-UHFFFAOYSA-N 323.801 3.143 0 40 DGAB CCn1cc(NC(=O)Nc2ccccc2C(N)=O)c2ccccc21 5266160 FQEYJHGMDGCMRK-UHFFFAOYSA-N 322.368 3.404 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)c1[nH]c2c(c1C)C(=O)CCC2 58904808 OXVMVZWSQKBFQV-UHFFFAOYSA-N 324.380 3.054 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cc3)CC[C@@]1(C)C(=O)O2 167234 VSTSJMMAROPSCQ-JKSUJKDBSA-N 307.777 3.400 0 40 DGAB Cc1ccccc1OCCSc1nnc(C(F)(F)F)n1C 7990572 MKBJVHGQUDAQCL-UHFFFAOYSA-N 317.336 3.313 0 40 DGAB CC(=O)c1ccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)cc1 2684794 DTBHTBRIQWMLAA-INIZCTEOSA-N 321.461 3.433 0 40 DGAB C[C@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 3875290 ZUJMMGHIYSAEOU-WFASDCNBSA-N 310.349 3.401 0 40 DGAB in-vitro COc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4019092 FYUCKUTXZAGUAM-VQSQSKOLSA-N 323.776 3.034 0 40 DGAB COCCCNC(=O)Nc1ccc(Oc2ccncc2)cc1 51648204 ZQTUKLIOCAOAPX-UHFFFAOYSA-N 301.346 3.032 0 40 DGAB Cc1ccc(C(=O)Nc2nc(C)c(C(=O)N(C)C)s2)cc1C 6278154 PEENZIHANZAAJC-UHFFFAOYSA-N 317.414 3.022 0 40 DGAB O=Cc1c(NCCc2ccc(F)cc2)c2ccccc2[nH]c1=O 6679401 GWWYHTGAGIWWDM-UHFFFAOYSA-N 310.328 3.134 0 40 DGAB Cc1ccc(NC(=O)NCc2ccc(N3CCCC3)nc2)cc1 32779582 SQJHCCGIYFVZFM-UHFFFAOYSA-N 310.401 3.312 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccccc1N1CCCC1=O 21600011 XQCRGVYWVIMZQJ-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)o1 417800 RRSGBONYBAHMHD-LBPRGKRZSA-N 317.414 3.230 0 40 DGAB Cc1ccc2c(CC(=O)NCc3ccc4c(c3)OCO4)coc2c1 2619556 IVJHRAPQXOEZHO-UHFFFAOYSA-N 323.348 3.329 0 40 DGAB CCNc1c(NC(=O)NCCC(C)C)c(=O)oc2ccccc12 101094315 ALZQZJALSGSJGX-UHFFFAOYSA-N 317.389 3.392 0 40 DGAB OC1=C2Nc3ccccc3N=C2O[C@H]1c1ccc2c(c1)OCO2 103874976 HKGGOCLRLZTOHF-INIZCTEOSA-N 308.293 3.412 0 40 DGAB CN(C)c1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCO2 33122722 TXEYXMPSVDUXJJ-UHFFFAOYSA-N 318.760 3.387 0 40 DGAB CSCc1ccc(C(=O)N(C[C@H]2CCOC2)C2CC2)cc1 46936683 HCIULUVBGIZXAT-CQSZACIVSA-N 305.443 3.191 0 40 DGAB Cc1ccc(OCCCC(=O)Nc2ccc(N(C)C)nc2)cc1 22418730 WXDXYHYBYBXSFF-UHFFFAOYSA-N 313.401 3.254 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]2CC[C@@H]1C2 24084454 MNJSXVUTJGKXPU-DAYGRLMNSA-N 300.446 3.191 0 40 DGAB O=C(O)[C@H](c1c[nH]c2ccccc12)N1CCc2ccccc2C1 12389853 OJOWFLIWNWBZKQ-SFHVURJKSA-N 306.365 3.352 0 40 DGAB CC[C@H](C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 23054999 DXLYTZCFAXKDTH-NSHDSACASA-N 319.430 3.118 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)c2cnn(C)c2)cc1 24393429 PKTFLGFLDBVZBE-QGZVFWFLSA-N 313.401 3.186 0 40 DGAB COc1ccc(NC(=O)c2cc3c(Cl)cccc3[nH]2)cn1 24982826 CSYKOLAGYKDUHN-UHFFFAOYSA-N 301.733 3.477 0 40 DGAB COc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1OC 57326775 NIAFQRSZVLRLGV-UHFFFAOYSA-N 322.324 3.093 0 40 DGAB COc1ccc(CNC(=O)c2cc3c(s2)CCCCC3)cn1 12558026 NNQPPERODOEPIU-UHFFFAOYSA-N 316.426 3.351 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1 12562714 TVJURPRIYLJCOM-NVXWUHKLSA-N 301.434 3.097 0 40 DGAB O=C(CCOc1ccccc1)Nc1cccc(Cn2ccnc2)c1 25182894 SDVZMBSCGXLAHM-UHFFFAOYSA-N 321.380 3.339 0 40 DGAB COc1cc(F)ccc1NC(=O)COc1ccc2c(c1)CCC2 25308643 VTJWCLGIPNAQIV-UHFFFAOYSA-N 315.344 3.341 0 40 DGAB CC1(C)[C@@H](O)C(=O)C[C@]2(C)[C@H]1CC[C@@]13C=C[C@](C)(C1)C(=O)C[C@@H]32 104139399 KVDLINJXYLXARR-HRVIXEDQSA-N 316.441 3.304 0 40 DGAB in-man Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@H](C)O[C@H](C)C2)c(Cl)c1 25412597 IVOPSEPLTZZSBD-MJBXVCDLSA-N 324.852 3.393 0 40 DGAB O=C(OC/C=C/c1ccccc1)[C@H]1CCCCN1c1ncccn1 43764848 KZLOGSBOVFNTMI-DKISHCGFSA-N 323.396 3.092 0 40 DGAB C[C@H](NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 12547277 WRYJPZKBAMJLCX-ZDUSSCGKSA-N 319.408 3.472 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C[C@H]4[C@H]5C[C@H]([C@@H]42)[C@@H]1[C@@H]35 100884648 OLRUHJPVOOXZIZ-NCDAOVPMSA-N 304.025 3.250 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccccc1F 1941332 VYLMYJZVKJISSI-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB COc1cc(C(=O)OCc2ccccc2F)cc(OC)c1OC 3240912 PQEBGCWIFPCYCT-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)c1 21915260 MWFKYYSZLJFBMV-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB Cc1ccc(-c2noc(CN3CCC(c4cc[nH]n4)CC3)n2)cc1 58227075 AZBIWESOEFFPDG-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB COc1cc(OC)c2[nH]c(C(=O)N3CCCCCC3)cc2c1 44906862 QGJVKJNQDVEAHP-UHFFFAOYSA-N 302.374 3.201 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc3cccnc23)n1 44953227 IVFKDVNBHXUULJ-ZDUSSCGKSA-N 322.412 3.114 0 40 DGAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccccn1 58327068 VAIOTDQAYLXBNU-UHFFFAOYSA-N 321.380 3.441 0 40 DGAB CCOCCCC(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58330343 NLPWXJBGJMXYPE-UHFFFAOYSA-N 316.405 3.350 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NCc1nc2ccccc2n1C 12627458 IMRUVOKCXCHREV-UHFFFAOYSA-N 318.380 3.293 0 40 DGAB COC(=O)/C=C/c1c(C)nn(Cc2ccccc2Cl)c1C 12762788 BRNLJZTUCRKRPM-CMDGGOBGSA-N 304.777 3.388 0 40 DGAB Cc1sc2nc(COC(=O)c3ccsc3)[nH]c(=O)c2c1C 8252089 QGUBEHSQPSLALV-UHFFFAOYSA-N 320.395 3.020 0 40 DGAB CC(C)c1ccccc1NC(=O)c1nn(C)c(=O)c2ccccc12 3561188 MRRTWJGXBICEJM-UHFFFAOYSA-N 321.380 3.309 0 40 DGAB COc1ccccc1NC(=O)c1cc2c(c(OC)c1)O[C@@H](C)C2 8328632 SXEWDUSEYKEHEG-NSHDSACASA-N 313.353 3.280 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc(OC(F)F)cc2)cc1 6153695 RHPKOJMKTAZNEK-UHFFFAOYSA-N 321.279 3.327 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1 5262298 SCKSNXPXQBIQQC-UHFFFAOYSA-N 315.316 3.467 0 40 DGAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(F)c1 14100712 ZBWNBZWFXZWGST-GFCCVEGCSA-N 305.374 3.356 0 40 DGAB CCCCN(C)Cc1c(C)[nH]c2c(OC)cc(OC)cc2c1=O 5834492 KDAOQDCMDSOCAJ-UHFFFAOYSA-N 318.417 3.086 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](n2ccnc2C)C1 69878080 SSEVAPKJXDRUQY-OAHLLOKOSA-N 322.412 3.459 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1nnc(N)s1 7535955 ZVKPNBRUKPFETL-QMMMGPOBSA-N 318.427 3.274 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCC(Nc2cccnc2)CC1 68338676 RFAGMRVCKUUMSD-UHFFFAOYSA-N 320.396 3.280 0 40 DGAB CCN1CCCN(c2ncc(C(F)(F)F)cc2Cl)CC1 71124311 TWTXPCHJGGYTDZ-UHFFFAOYSA-N 307.747 3.286 0 40 DGAB COc1ccc([C@@H](NC(=O)CC(F)(F)F)C(F)(F)F)cc1 96002300 ROBBCMNCBDFEQE-SNVBAGLBSA-N 315.213 3.367 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCc3cc4ccccc4nc32)cc1 19796816 HZBLGFARYLYTFE-UHFFFAOYSA-N 324.405 3.295 0 40 DGAB Cc1cscc1C(=O)Nc1ccccc1O[C@@H]1CCOC1 89708919 LQRPONMXABRVCW-GFCCVEGCSA-N 303.383 3.477 0 40 DGAB C[C@H]1CCN(C(=O)c2cc(C(N)=O)cs2)[C@@H](c2ccco2)C1 75390290 OLRIJCLIQPZRCS-CMPLNLGQSA-N 318.398 3.053 0 40 DGAB Fc1cccc(CN2CCC(OC[C@H]3CCCO3)CC2)c1F 83414530 PCJKHYMWNDTAMY-OAHLLOKOSA-N 311.372 3.125 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cccc2ncccc12 71899987 SMGCPIJCUXUQBM-NSHDSACASA-N 308.385 3.076 0 40 DGAB O=C(N[C@@H]1CC=CCC1)N(CCCO)[C@@H]1CCc2ccccc21 89858114 OJDWNGNRGKAHFC-SJLPKXTDSA-N 314.429 3.177 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=O)c3ccccn3)c2C)cc1 84174770 YCVGOPLAOFFPHW-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1nnc(SCC(=O)c2cccc(OC(F)F)c2)s1 72291224 HNVMWZXFHYGEMF-UHFFFAOYSA-N 316.354 3.423 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2ccc(C)nc2)cc1 97038097 ILFPBDBYJOWPEK-ZDUSSCGKSA-N 319.430 3.325 0 40 DGAB O=C(NCc1ccccn1)NCc1ccccc1N1CCCCC1 97046719 BQYPVSSPURMPKK-UHFFFAOYSA-N 324.428 3.071 0 40 DGAB O=C(c1ccco1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76059785 CICPLDRPJPCQRM-SECBINFHSA-N 313.279 3.041 0 40 DGAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(F)nc2)cs1 72500810 ZTVODIUNFCXJJE-SNVBAGLBSA-N 323.393 3.047 0 40 DGAB Cc1cnc(CN2CCN([C@H](C)c3ccccc3F)CC2)o1 95405128 QOMHFMPIPICTGY-CQSZACIVSA-N 303.381 3.001 0 40 DGAB Cc1ccc(OC[C@H](C)NCc2ccc([S@](C)=O)cc2)cc1 95409635 MUUWVHMSAOPYSV-OYHNWAKOSA-N 317.454 3.290 0 40 DGAB O=C(NCCc1cc2ccccc2[nH]1)Nc1cnc(C2CC2)nc1 95972103 VERZXRBPCPVXGX-UHFFFAOYSA-N 321.384 3.200 0 40 DGAB Cc1nnc(NC(=O)N[C@@H](C)c2cccc(Cl)c2)nc1C 95942339 WBQKJQZPOUPFDC-JTQLQIEISA-N 305.769 3.025 0 40 DGAB CCc1nn(C)c(OC)c1CN[C@@H]1[C@@H]2CCCC[C@@H]2C1(C)C 89212643 NLLXHZGQNRFMIS-IVMMDQJWSA-N 305.466 3.296 0 40 DGAB CC[C@@H]1CCCC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccsc1 79097811 DKTNZZLEUCZRSQ-HIFRSBDPSA-N 322.474 3.247 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(N(C)C)cc1 119920372 ZLNLCTBRERNGCL-AWEZNQCLSA-N 319.449 3.024 0 40 DGAB CC(C)[C@H](N)c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716605 XUNGIHPTYBQJTM-ZDUSSCGKSA-N 305.765 3.312 0 40 DGAB O[C@]12N=C3CCCC[C@H]3[C@]1(O)c1ccccc1-c1ccccc12 39380686 RXOQDDUDMAFGCY-RLLQIKCJSA-N 305.377 3.345 0 40 DGAB Cc1ccc(SC[C@@H]2CSc3nc(C)cc(=O)n32)cc1 36724535 JIAXFTUVQVWOBB-GFCCVEGCSA-N 304.440 3.299 0 40 DGAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)O 33456184 DXWKKGCRDOMUAH-DIECRNLCSA-N 316.184 3.232 0 40 DGAB Cc1ccccc1-n1ncc2c(NCc3ccco3)ncnc21 35586163 GNPGRPRBRJWMBN-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB COc1cccc2cc(C(=O)NCCN3CCCCCC3)oc12 73742549 YQSDOWDGDZFTCK-UHFFFAOYSA-N 316.401 3.047 0 40 DGAB Cc1ccccc1[C@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1C(=O)O 35571362 NPRFKCUIVZCVND-KGLIPLIRSA-N 305.374 3.030 0 40 DGAB CCc1cc(S(=O)(=O)Nc2cccc(OC)c2)ccc1OC 74935032 YIYUDWBSYMKGHL-UHFFFAOYSA-N 321.398 3.067 0 40 DGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1coc(-c2ccccc2)n1 78080535 NBUGFNPWZZOPLA-UHFFFAOYSA-N 321.292 3.028 0 40 DGAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1cccc(Nc2ncccn2)c1 79482260 KZGNGTGNEWVFSB-YCPHGPKFSA-N 320.396 3.162 0 40 DGAB CCOC1(C(=O)Nc2ccc(OC)nc2C)CCCCCC1 225899494 MPODZIOODURLDB-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB C[C@@H](CNCc1nnc2ccccn12)c1cccc(Cl)c1 195573446 VMRCFWIDIJVPBD-LBPRGKRZSA-N 300.793 3.276 0 40 DGAB O=C(O)c1csc(CN2CCC(c3ccccc3)CC2)n1 570851540 JHEAGVUURGJEQW-UHFFFAOYSA-N 302.399 3.221 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)c(C)c1 225718234 QUZIURIMCVAGSI-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB O=C(Nc1nc2c(s1)COCC2)c1ccc2ncsc2c1 77155559 UVHUCZZNVHNSSL-UHFFFAOYSA-N 317.395 3.078 0 40 DGAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1cccc(C)c1)C2 96077028 GEPWDFYPRQONNO-LJQANCHMSA-N 314.429 3.002 0 40 DGAB CCn1c2ccccc2c2cc(/C=C/C(=O)N[C@H](C)CO)ccc21 97204648 JTZPYHUSLXQJCS-CFRMROPGSA-N 322.408 3.325 0 40 DGAB CCc1onc(C)c1NC(=O)c1ccc2c(c1O)OC(C)(C)C2 91696611 XOZMOUROFFRJIK-UHFFFAOYSA-N 316.357 3.217 0 40 DGAB Cc1csc(-c2cccc(NC(=O)N3CCO[C@H](C)C3)c2)n1 96403217 GSSLUIGKQWCPQY-GFCCVEGCSA-N 317.414 3.371 0 40 DGAB Cc1n[nH]c([C@@H](NC(=O)CCc2cccc(Cl)c2)C(C)C)n1 96418565 IQZGUXBQKKQGQW-HNNXBMFYSA-N 320.824 3.213 0 40 DGAB CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@H](C)C2)C[C@@H]1C 247948850 PSNMSNPGJXNYAJ-XQBJUFAKSA-N 322.493 3.258 0 40 DGAB CCC[C@@]1(COC)CCCN1C(=O)c1cnc(C(C)(C)C)nc1 585083181 CHSITVFIZYDJLW-SFHVURJKSA-N 319.449 3.195 0 40 DGAB O=C(NCC[C@@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 90612919 VLDYFWBAKDMSTL-CYBMUJFWSA-N 313.275 3.152 0 40 DGAB COC(=O)Nc1cccc(NC(=O)N[C@@H](C)c2ccccn2)c1 47711061 GDHXTCPOFBKXJB-NSHDSACASA-N 314.345 3.143 0 40 DGAB CN(CCCC(=O)OC(C)(C)C)C(=O)Nc1cccc(F)c1 57881983 RUWBPROEIKMTQI-UHFFFAOYSA-N 310.369 3.411 0 40 DGAB C[C@H](NC(=O)CCCOc1cccc(F)c1)c1ccncc1 58246346 FVALFWZXTOGIRB-ZDUSSCGKSA-N 302.349 3.257 0 40 DGAB COc1ccc(Cl)cc1Nc1c2c(nc3ncnn13)CCC2 15786682 KHWIEFQTNZVWQC-UHFFFAOYSA-N 315.764 3.019 0 40 DGAB Cc1ccccc1NC(=O)c1cc(-n2cnnc2)ccc1Cl 16362951 PJNWQWULDCPCDS-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB O=C1CC[C@@H](NCc2cccs2)[C@H](c2cc(F)cc(F)c2)N1 19343752 INQQGQBMBMZNTP-ZBFHGGJFSA-N 322.380 3.136 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cnc2ccsc2c1 581703629 ZZEQXELMNIQNGX-GFCCVEGCSA-N 318.398 3.156 0 40 DGAB O=C(NC1CCCCC1)N(Cc1cccnc1)C[C@H]1CCCO1 6398294 BWWSMDOCWZYPNZ-QGZVFWFLSA-N 317.433 3.105 0 40 DGAB Cc1c(C(=O)Nc2ccc3cc[nH]c3c2)sc2nc[nH]c(=O)c12 71284028 PTAMBBDSIXIDMM-UHFFFAOYSA-N 324.365 3.027 0 40 DGAB CCCCc1nc2sc3c(NN)ncnc3c2c2c1CCC2 5024598 ZFYDQUDZAGDINU-UHFFFAOYSA-N 313.430 3.356 0 40 DGAB O=c1[nH]c2ccccc2n1C1CCN(Cc2ccccc2)CC1 1718862 WMPRRSYNQDCNCE-UHFFFAOYSA-N 307.397 3.167 0 40 DGAB FC(F)(F)C(F)(F)c1nc2nc(Cl)c(Cl)nc2[nH]1 6494818 NZQSHTFYTKYMFC-UHFFFAOYSA-N 307.009 3.314 0 40 DGAB S=c1[nH]ncn1NCc1cccc(OCc2ccccc2)c1 7602565 IZWVKRLLFYXVRP-UHFFFAOYSA-N 312.398 3.263 0 40 DGAB Clc1cccc(-c2n[nH]cc2CN[C@H]2C[C@H]3CC[C@H]2O3)c1 108356116 JHWKMSZPAMRZIT-QLFBSQMISA-N 303.793 3.140 0 40 DGAB COc1ccc(C(=O)NCCCn2ccc3ccccc32)c(O)c1 32721263 GOMZUEFHJJAGJB-UHFFFAOYSA-N 324.380 3.176 0 40 DGAB O=c1c2ccccc2cnn1CN1CCC2(CCCCC2)CC1 71924466 NIIPEVVCAAOFAI-UHFFFAOYSA-N 311.429 3.400 0 40 DGAB C[C@@H](C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)n1cncn1 71903452 AJFJLSRHFFNSMA-LRDDRELGSA-N 316.380 3.026 0 40 DGAB O=C(N[C@@H]1CC=CCC1)N(CCCO)[C@H]1CCc2ccccc21 89858111 OJDWNGNRGKAHFC-AEFFLSMTSA-N 314.429 3.177 0 40 DGAB COc1ccccc1[C@H](NC(=O)C1CC=CC1)c1ccccn1 89848779 MCDMPUKBMMHQKF-SFHVURJKSA-N 308.381 3.262 0 40 DGAB C[C@@H](O)[C@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 89894249 AHHXCBMAYYNSEU-MNOVXSKESA-N 316.228 3.155 0 40 DGAB CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)[C@H]2CCCC[C@H]2C(=O)O)C1 101249954 FZSCVNIWMJTNQQ-NPSOMJIGSA-N 307.434 3.305 0 40 DGAB C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 1381817 SOUNDZAPIFLSDN-SNVBAGLBSA-N 300.745 3.327 0 40 DGAB CCN(CC)C(=O)c1nn(-c2ccc(C)c(Cl)c2)nc1C 59843353 QSHWQLBGJHIPDS-UHFFFAOYSA-N 306.797 3.020 0 40 DGAB CCN(C(=O)c1ccc[nH]1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106630841 CTGOYQZDOVTMIC-WBVHZDCISA-N 311.429 3.312 0 40 DGAB CCOCC(=O)Nc1cc(C(F)(F)F)ccc1OC(C)C 1891296 ZRYLTSUNNMJQAV-UHFFFAOYSA-N 305.296 3.468 0 40 DGAB CCC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1ccc2nccnc2c1 44893505 GMWTUSPDZYGBHL-QGZVFWFLSA-N 319.368 3.046 0 40 DGAB CCOP(=O)(OCC)c1nc(-c2ccccc2)oc1N(C)C 2306118 SCJXEBVRRIZJLW-UHFFFAOYSA-N 324.317 3.299 0 40 DGAB O=C(COc1ccccc1)NCc1coc(-c2cccs2)n1 10875271 IAGUYPZYDXZQKR-UHFFFAOYSA-N 314.366 3.098 0 40 DGAB Cc1cccc(C)c1NC(=O)COc1ncnc2ccccc12 3266696 TZKGUTKCMUJDHL-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB COC[C@@H](C)NC(=O)CSc1cc(C)c2cccc(C)c2n1 3348519 AUEJCMNZCFDJGE-CYBMUJFWSA-N 318.442 3.095 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1sc(C)nc1C 48332503 MOLGVRHWRBYFGJ-UHFFFAOYSA-N 304.415 3.349 0 40 DGAB Cc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12867344 RQDPCAFGZBMTRP-LJQANCHMSA-N 308.425 3.447 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(F)cc1Cl 12917771 XIDAZMZZWOQFJL-UHFFFAOYSA-N 324.739 3.221 0 40 DGAB COc1ccc(NC(=O)Cc2noc3ccccc23)cc1F 49222955 KWGBZKOTUMUNQN-UHFFFAOYSA-N 300.289 3.157 0 40 DGAB COc1ccccc1S(=O)(=O)Cc1ccc(F)cc1Cl 49415687 QLMRFBNYRKBJLG-UHFFFAOYSA-N 314.765 3.462 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccncc2)cc1 5061777 INASVLWJSLSXNP-ZDUSSCGKSA-N 312.369 3.391 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)c1nc2cccnc2s1 5589031 OKKCNYSRYUBRKW-UHFFFAOYSA-N 324.814 3.319 0 40 DGAB CCOc1ccc(C2=N/C(=C\c3cccc(OC)c3)C(=O)O2)cc1 5703205 MMQGEGGLMDKDQI-ATVHPVEESA-N 323.348 3.438 0 40 DGAB Cc1cccc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1C 5730731 NDKSNKQZBYJKPH-UHFFFAOYSA-N 322.364 3.113 0 40 DGAB CN(C)Cc1ccccc1CNCc1ccc(-n2ccnc2)cc1 15185886 ZXZOWXULSRXAIS-UHFFFAOYSA-N 320.440 3.224 0 40 DGAB Cc1ccc2nc(S[C@@H](C)C(=O)NC3CCCC3)[nH]c2c1 5927804 RQRVNIADFDPTFG-NSHDSACASA-N 303.431 3.411 0 40 DGAB CCc1nnc(NC(=O)[C@H](CC)Nc2cccc(C)c2)s1 7459915 JUIKWWZYGQVJNW-LBPRGKRZSA-N 304.419 3.238 0 40 DGAB O=c1c2ccccc2ncn1Cc1ccc(C(F)(F)F)cc1 8848355 HWAAAQJZNFAJQW-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB Brc1cccc(OCCNC[C@@H]2CCCS2)c1 96300586 LDIHYTLBLUSLBN-ZDUSSCGKSA-N 316.264 3.313 0 40 DGAB Cc1cccc(O[C@@H](C)CNC(=O)NCc2csc(C)n2)c1 96439160 AYKIIIUBXKBEHB-LBPRGKRZSA-N 319.430 3.027 0 40 DGAB Cc1cnc(CCNC(=O)N[C@H]2CCc3c(F)cccc32)s1 76091585 MHBMAUFBDQTDPJ-AWEZNQCLSA-N 319.405 3.120 0 40 DGAB CC(C)(C)Oc1c(F)cc(NC(=O)Cc2ccn[nH]2)cc1F 97083398 JRFYCEGJIJQOSG-UHFFFAOYSA-N 309.316 3.046 0 40 DGAB CN(Cc1ccc(Oc2cnccn2)cc1)Cc1cccnc1 97058617 OQLLBMYJMIQAKY-UHFFFAOYSA-N 306.369 3.296 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 97234569 WIPXQFQNCJAVMV-SJORKVTESA-N 310.401 3.334 0 40 DGAB CCc1ccc(CNC(=O)[C@@](C)(c2ccccc2)N(C)C)s1 97212269 LFJXPXFXJNVIGG-GOSISDBHSA-N 316.470 3.404 0 40 DGAB CCOc1ccc(NC(=O)c2cncc3ccccc23)cc1CO 95447799 IKJHCCIICGWCSJ-UHFFFAOYSA-N 322.364 3.378 0 40 DGAB CC(C)c1ccc(OCCNC(=O)[C@@H]2CC23CCOCC3)cc1 98018329 RKOUKBJIUKQGQQ-KRWDZBQOSA-N 317.429 3.122 0 40 DGAB O=C(O)c1cccc(C(=O)N2CCC(=Cc3ccccc3)CC2)n1 95989971 VERDEUDNKYBUHU-UHFFFAOYSA-N 322.364 3.099 0 40 DGAB Cc1[nH]ccc1C(=O)N(CC(C)C)C[C@@H](O)c1ccc(F)cc1 89536715 IOCQDMFYEGBHLJ-QGZVFWFLSA-N 318.392 3.294 0 40 DGAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c(C)c1 20310952 TZGOZVNFPCKQAT-LJQANCHMSA-N 324.424 3.315 0 40 DGAB Cc1cc(Oc2ncccn2)ccc1NC(=O)NCc1ccco1 65483470 RLZHICHRJLCELQ-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB Cc1cc2c(cc1C)C1=NCCN[C@H]1[C@@H](c1ccccc1)C2=O 67300091 DNTHAEXKKZSWHX-MJGOQNOKSA-N 304.393 3.044 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCN1CC(C)C 72219404 FUCGXNRCHZWWCZ-QGZVFWFLSA-N 303.450 3.020 0 40 DGAB CC(=O)N1CCC(c2nccnc2Oc2cccc(F)c2)CC1 72361694 VACVEQBGPUSVCO-UHFFFAOYSA-N 315.348 3.134 0 40 DGAB O=C(NC[C@@H](O)Cc1ccccc1)Nc1ccccc1Cl 70639448 HOEYEMZCJYOBCX-ZDUSSCGKSA-N 304.777 3.065 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 74957502 YASLVOJXXQDQHF-UHFFFAOYSA-N 307.353 3.337 0 40 DGAB CC(C)(C)c1ncc(CNc2nnc([C@H]3CCCO3)o2)s1 181970963 UIYSNXSBMHNVHC-SNVBAGLBSA-N 308.407 3.287 0 40 DGAB Cc1ccccc1NC(=O)Nc1nc(C)c(C(=O)N(C)C)s1 32610627 BSTLJZHHAHIXQY-UHFFFAOYSA-N 318.402 3.106 0 40 DGAB CCOC(=O)[C@@H](C)Nc1cccc(COCc2ccco2)c1 79354860 RHNGJPAJGYRSNG-CYBMUJFWSA-N 303.358 3.360 0 40 DGAB CC(C)CN(CC(C)C)C[C@@H](O)COCc1ccccc1F 71794356 HLKQDUOFXZHTMX-QGZVFWFLSA-N 311.441 3.317 0 40 DGAB CCc1ccc(NC(=O)CNc2ncnc3ccccc23)cc1 41504122 WLMJQVSNHBCQSB-UHFFFAOYSA-N 306.369 3.243 0 40 DGAB CC(C)c1ccccc1OCCNS(=O)(=O)c1ccccc1 78643959 OTVGJXHTOBRQJK-UHFFFAOYSA-N 319.426 3.167 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2cccs2)c1C 225637021 PVULBNAEMRSBLG-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB C[C@@H](C[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C)C(=O)O 137373769 UYQHSQMQMMJEQP-GXTWGEPZSA-N 307.390 3.233 0 40 DGAB COc1ccc([C@H](C)NC(=O)NCC2(SC)CC2)cc1F 194816493 BLMYLKHKEGNEKU-JTQLQIEISA-N 312.410 3.090 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)CCc1ccccc1 225596213 POVJQNILJYLFFH-AWEZNQCLSA-N 321.417 3.434 0 40 DGAB CN(C)C(=O)c1ccc(NC(=S)NC2(C)CCCCC2)cc1 225871830 DFMKWKAQOHVCMF-UHFFFAOYSA-N 319.474 3.398 0 40 DGAB CCOCCCNC(=O)N(C)Cc1ccc2ccccc2c1 40068867 SOINTCIRWBBPJZ-UHFFFAOYSA-N 300.402 3.408 0 40 DGAB Cn1cc([C@H](O)CN[C@H]2CCCC[C@@H]2C2=CCCCC2)cn1 96478466 KOOBHURFQHPOJW-FGTMMUONSA-N 303.450 3.102 0 40 DGAB COCCCCNC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C 96415234 NXFUQRWLTGOXTD-HOTGVXAUSA-N 304.434 3.309 0 40 DGAB O=C(N[C@H]1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCC2 96231389 JWMDTXZRLPLYIO-INIZCTEOSA-N 320.396 3.187 0 40 DGAB CCNc1nc2c(Br)cc(C(=O)O)cc2s1 96841445 OELKXFDNNNEVPG-UHFFFAOYSA-N 301.165 3.189 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)C1 241965645 UUSLBHXQPNJXLF-HAYURNKSSA-N 321.505 3.334 0 40 DGAB CC(=O)N1CCC[C@H](Cc2ccc(-c3nc(C)cs3)nc2)C1 257223167 DWFJXFLSRJWIGS-OAHLLOKOSA-N 315.442 3.315 0 40 DGAB COCc1sc(-c2cccc([C@@H]3CCCNC3)n2)nc1C 257282521 OUATVSINHWBCQB-GFCCVEGCSA-N 303.431 3.127 0 40 DGAB CO[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccc(C)s1 96385517 LZPBKBVJKWTIAD-ZDUSSCGKSA-N 311.353 3.452 0 40 DGAB CCN(C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 65865492 DVTINYHKGBMBLT-OAHLLOKOSA-N 304.409 3.049 0 40 DGAB CC[C@H](C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314155 YCEPQCUZTIRATE-LBPRGKRZSA-N 317.458 3.427 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)c1ccccc1C 226357033 GUSXBYYYOHFOJF-CSKARUKUSA-N 311.337 3.354 0 40 DGAB COc1ccccc1C1(CNC(=O)C2CCCC2)CCOCC1 16969877 INGSBHJYYMYGKF-UHFFFAOYSA-N 317.429 3.050 0 40 DGAB CC(C)(C)c1cn2nc(C(=O)Nc3ccccc3F)ccc2n1 1888906325 GDVYOGRSDLEKIT-UHFFFAOYSA-N 312.348 3.418 0 40 DGAB O=C(NCCc1ccc(-c2cccs2)s1)c1ccno1 1889191914 OFWDRZOQTVOOMP-UHFFFAOYSA-N 304.396 3.437 0 40 DGAB CC(C)(C(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 30012803 XMTRROOVXHZYRY-UHFFFAOYSA-N 323.440 3.276 0 40 DGAB COc1cccc(-c2nnc(NC(=O)CCc3ccccc3)o2)c1 4329930 NKCWGIHIXUNWPX-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)c3cccc(OC)c3)C2)cc1 38566477 UUZLXLYLNUNEGV-MRXNPFEDSA-N 311.381 3.334 0 40 DGAB CCC1(CC)NC(=O)N(CCCOc2ccc(C)c(C)c2)C1=O 40083258 BQARMZLDILUXQY-UHFFFAOYSA-N 318.417 3.183 0 40 DGAB Cc1cc(CN(C)C(=O)Cc2c(C)[nH]c3ccc(F)cc23)no1 31115159 SJUJZPJNBCDRRN-UHFFFAOYSA-N 315.348 3.113 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 242053 SEUNWJFDCPQTRW-UHFFFAOYSA-N 319.158 3.299 0 40 DGAB CC(=O)Nc1ccc(NC(=O)NCc2cccs2)cc1C 40526917 JWQICZXMGIACFO-UHFFFAOYSA-N 303.387 3.337 0 40 DGAB O=C(NCc1ccc(F)cc1)C1(c2cccs2)CCOCC1 4478935 LOGBTBGBKLSHIV-UHFFFAOYSA-N 319.401 3.252 0 40 DGAB O=C(Nc1ccc(-n2cncn2)cc1)c1csc2c1CCCC2 29232057 TZDHRBJSYOWMKI-UHFFFAOYSA-N 324.409 3.460 0 40 DGAB CC[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@@H](C)CC 6224650 OAVUXSIQEJHCSI-DZKIICNBSA-N 320.433 3.242 0 40 DGAB COc1ccc(C)cc1NC(=O)CCOc1ccccc1OC 6790578 RNFZQWKNOXGKEK-UHFFFAOYSA-N 315.369 3.420 0 40 DGAB Fc1ccc(-n2nnnc2/C=C\Nc2ccc(F)cc2F)cc1 6926601 WHNLLCUCJDBVKN-FPLPWBNLSA-N 317.274 3.162 0 40 DGAB CC(C)C[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCC1 41264781 QLBVPIJWJVCCHN-INIZCTEOSA-N 317.433 3.235 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)N2CCc3ccccc32)n1 32922754 AQAASQZNEAKIQU-UHFFFAOYSA-N 313.401 3.279 0 40 DGAB C[C@@H](CNC(=O)CCc1cccs1)N1CCc2ccccc21 33056147 MFIJSVIZBJBODQ-AWEZNQCLSA-N 314.454 3.248 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)N=C(O)CO3)cs1)C1CC1 11967254 CQBLCBHTNGYEEQ-UHFFFAOYSA-N 315.354 3.139 0 40 DGAB C[C@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2Cl)C1 9996417 MFSYPIBOWOIOLN-NSHDSACASA-N 315.244 3.342 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccncc1 46810244 UIGUESUCUVEIMC-NSHDSACASA-N 311.316 3.367 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)Nc2cn[nH]c2)c2ccccn2)cc1 71909168 JYQMROWZIWULKR-QGZVFWFLSA-N 321.384 3.219 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)NCCOc1ccc(C)cc1 23038729 YBZUKZFHCFECAC-SFHVURJKSA-N 313.397 3.348 0 40 DGAB CCOC(=O)c1ccn(-c2ncc(C(F)(F)F)cc2Cl)n1 12395097 RRLHRIJEVCLLND-UHFFFAOYSA-N 319.670 3.116 0 40 DGAB O=C(Nc1cccc(Cl)c1F)[C@@H]1CC(=O)N(C2CCCC2)C1 23224331 PMYSJHNHFKYJGT-SNVBAGLBSA-N 324.783 3.209 0 40 DGAB CC1CCC(NC(=O)c2ccc(CN3CCCC3=O)cc2)CC1 12568667 JMSCCOHXIQMSBF-UHFFFAOYSA-N 314.429 3.118 0 40 DGAB CCc1nccn1[C@H]1CCCN(CCOc2cccc(F)c2)C1 106213254 SJAQXDTYFUYVQU-INIZCTEOSA-N 317.408 3.301 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1ccccn1 55514673 RRJHDNMHOWCKAV-MRXNPFEDSA-N 320.348 3.165 0 40 DGAB C[C@H](Nc1nc2ccccc2o1)c1ccc2c(c1)NC(=O)CO2 25570350 OPBXSRJQTPLCTL-JTQLQIEISA-N 309.325 3.332 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@H](c3ccn[nH]3)C2)c(C)c1 89612125 GJHPWGOLGFEDIG-KRWDZBQOSA-N 311.429 3.365 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCc2ccccc21 44894237 VXBIGJGECXEUCY-AWEZNQCLSA-N 318.376 3.091 0 40 DGAB COc1cc(CNC(=O)C[C@@H](C)c2ccc(F)cc2)ccc1O 58209827 CLLAZXOSFCEUNJ-GFCCVEGCSA-N 317.360 3.350 0 40 DGAB O=C(CSC[C@@H](O)c1ccccc1)N1CCc2ccccc21 58264291 HNNMVONEHFMFCV-QGZVFWFLSA-N 313.422 3.043 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)on1 44907827 FBSLFYPCJNBZSQ-UHFFFAOYSA-N 320.197 3.405 0 40 DGAB O=C(c1ccc2c(O)[nH]c(=S)nc2c1)N1CCc2ccccc21 44917330 SDTSBBYDJIVSGJ-UHFFFAOYSA-N 323.377 3.201 0 40 DGAB CSc1ccccc1C(=O)NC[C@@H](c1ccco1)N(C)C 3340447 NJKFWJPMPFXJQC-ZDUSSCGKSA-N 304.415 3.034 0 40 DGAB CC[C@H](NC(=O)NCc1nc(C)cs1)c1ccc(OC)cc1 48278343 NXSDETYHUFLFLK-AWEZNQCLSA-N 319.430 3.411 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccccc1C 3487300 UGHOHQURCDQZPQ-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1cc2nc(/C=C/c3csnn3)sc2cc1OC 48625456 WPGRVCIAKCXQNW-ONEGZZNKSA-N 305.384 3.335 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1CN1C(=O)NC(C)(C)C1=O 13004104 WGXMCHZPHZSEHE-UHFFFAOYSA-N 302.418 3.431 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]21 13146730 RNHYQCCLWKGTBH-CYGHRXIMSA-N 309.409 3.207 0 40 DGAB COCC(=O)NCc1nc(-c2ccc(Cl)cc2)c(C)s1 48926262 RIOOVSVGNQTWBG-UHFFFAOYSA-N 310.806 3.035 0 40 DGAB O=C(CNC1(c2ccccc2)CCC1)NC1CCCCCC1 64343613 MNUAWXJWZLRFGF-UHFFFAOYSA-N 300.446 3.494 0 40 DGAB Cc1cnn(C[C@H](C)NCc2csc(-c3ccco3)n2)c1 69459749 HMTYRYFIKXGKDV-LBPRGKRZSA-N 302.403 3.086 0 40 DGAB CCn1c([C@H](NC(=O)c2ccc(F)cc2)C(C)C)n[nH]c1=S 6451384 QJNQJIDRMFLGBB-GFCCVEGCSA-N 322.409 3.227 0 40 DGAB CCC(CC)NC(=O)CSc1ccc2c(c1)OCCCO2 6436793 MPXRYJUKBNBXIR-UHFFFAOYSA-N 309.431 3.245 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-n2cccc2)c(F)c1 69625962 OIAATPQPPNHMOE-AWEZNQCLSA-N 316.376 3.115 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOc1ccccc1 14246144 WRYDVEFJDFUZMK-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCC1 5559069 BOJASXYYQWFJLH-UHFFFAOYSA-N 322.408 3.398 0 40 DGAB CC(C)CNC(=O)CN1CCC(c2c[nH]c3ccccc23)CC1 8727402 GRROLTTUWPTZKI-UHFFFAOYSA-N 313.445 3.120 0 40 DGAB O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(c2ccccc2)C1 4815828 PORIWPPVHKBCRT-OAHLLOKOSA-N 314.429 3.269 0 40 DGAB Cc1nc(C)n(C[C@@H]2CCCN(C/C=C/c3ccccc3)C2)n1 69820212 UXTXXKRZRVDOOT-ZAOIQFLMSA-N 310.445 3.320 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2cccs2)c(OC)c1 5836217 NGTHLVRRKMRLLK-UHFFFAOYSA-N 319.382 3.367 0 40 DGAB COc1ccccc1NC(=O)CN(C)[C@@H](C)c1cccs1 8769717 QHVVFOOPRJAMCJ-LBPRGKRZSA-N 304.415 3.388 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@H]1C[C@@H]1C1CCCCC1 89818262 HLLJTPXNCRYWMP-CABCVRRESA-N 317.433 3.355 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)c1ccc2nncn2c1 89826057 ZBOHZKMVRGUZPF-QGZVFWFLSA-N 306.369 3.001 0 40 DGAB O=C(CSc1ncnc2ccsc12)Nc1ccccc1 9385357 ZKDYGFDSYOKNIF-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2c2ncnc3ccccc23)c1 72276482 XTUVRIFJDJGIBT-OAHLLOKOSA-N 307.401 3.194 0 40 DGAB C[C@@H]1C[C@@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 89920327 JRDBICHPJLHHPH-TZMCWYRMSA-N 314.351 3.108 0 40 DGAB Cc1sc2ncnc(N(C)[C@@H](C)C(=O)OC(C)C)c2c1C 97016143 XYIBANNGNFNSPA-JTQLQIEISA-N 307.419 3.084 0 40 DGAB COc1ccc(C)c(NC(=O)N(C)C[C@H]2CCCC[C@@H]2O)c1 97047312 NSNIJAGDSQBHFP-CJNGLKHVSA-N 306.406 3.018 0 40 DGAB Cc1noc(C)c1[C@H](C)CC(=O)N[C@@](C)(CO)C1CCCCC1 97377655 CVNAWMHPAJTDAW-XIKOKIGWSA-N 322.449 3.233 0 40 DGAB CCSc1cc(Cl)ccc1C(=O)NCc1ccnc(C)n1 97377970 HPGDWLINONLBRM-UHFFFAOYSA-N 321.833 3.480 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@@]3(CCc4ccccc43)C2)n1 97378560 RJOIGXCUIPYHNO-IBGZPJMESA-N 323.396 3.096 0 40 DGAB COc1ccc(C)nc1NC(=O)N1CCC[C@H]1c1ccncc1 97378668 IZFMOLIWGYQLLX-AWEZNQCLSA-N 312.373 3.163 0 40 DGAB Cc1nc(C)c(CNC(=O)NC[C@@H](C)c2cccs2)s1 76087869 SJLAUYJDGHCFAW-SECBINFHSA-N 309.460 3.424 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(=O)n(C)c1)c1cc2ccccc2o1 95369323 HWUVRXGXQXYWJC-LLVKDONJSA-N 311.341 3.014 0 40 DGAB Cc1cc(C(=O)Nc2cccc(C)c2C(N)=O)c(Cl)cc1F 95414121 FKRYUVVYEFFBFT-UHFFFAOYSA-N 320.751 3.447 0 40 DGAB CSCC[C@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95984000 IOXUKNPMXVWZED-GWCFXTLKSA-N 310.467 3.015 0 40 DGAB O=C(Nc1nnc(-c2cccnc2)s1)C1CCC(F)(F)CC1 95976323 HYZUSSLVHHWQHT-UHFFFAOYSA-N 324.356 3.364 0 40 DGAB Cc1ccc(NC(=O)Cn2cccc(C)c2=O)cc1C(F)(F)F 95984479 AJFQEDLPFMRLJR-UHFFFAOYSA-N 324.302 3.123 0 40 DGAB Cc1ccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1Cl 28210292 KXNDMYPYSFKMKX-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB C[C@H](NC(=O)/C=C/c1cccc(Oc2ccccc2)c1)C(=O)O 62715459 NKEJRQNPDGJGGS-NHAQELONSA-N 311.337 3.081 0 40 DGAB Cc1sc(CN2CCOCC2)nc1-c1cc(F)ccc1F 78823109 QKZSXMQSQIWHOQ-UHFFFAOYSA-N 310.369 3.229 0 40 DGAB O=C(NCCCc1cccc(F)c1)N[C@@H]1CCO[C@@H](C2CC2)C1 122115717 DOEJYFVKSYGJSB-IAGOWNOFSA-N 320.408 3.015 0 40 DGAB COC(=O)c1ccc(CN(C)C(=O)/C=C/c2ccccc2)cc1 30517011 YGZQXXSQXAMDOU-JLHYYAGUSA-N 309.365 3.145 0 40 DGAB CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2ccccn2)cc1 31682613 VGDFHPRIWHHTQO-NSHDSACASA-N 300.383 3.404 0 40 DGAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1F 183578983 BVCNIPQLMUFJAT-JFGNBEQYSA-N 314.198 3.176 0 40 DGAB c1csc(-c2nc(N3CCCC3)ncc2-c2cnccn2)c1 72338713 KSILULJBOJRJEO-UHFFFAOYSA-N 309.398 3.262 0 40 DGAB CCOC(=O)c1sc2cccc(Br)c2c1N 44676167 QRMCLDGXVIUBNH-UHFFFAOYSA-N 300.177 3.423 0 40 DGAB CN(C)C[C@@H](NC(=O)c1sccc1Cl)c1ccccc1 225492567 IMTYAWMYUYASFM-CYBMUJFWSA-N 308.834 3.434 0 40 DGAB C[C@H](CN1CCC(OC[C@@H]2CCOC2)CC1)c1ccc(F)cc1 195573455 JDEQKWVWWXOPSE-HZPDHXFCSA-N 321.436 3.447 0 40 DGAB Cc1nc2ccccc2nc1N1CCC[C@H]1Cn1ccnc1C 225598364 LASUFYYKDMZSOK-HNNXBMFYSA-N 307.401 3.112 0 40 DGAB C[C@H]1CN(C(=O)c2cnn(C3CC3)c2)CC[C@H]1c1ccccc1 528663651 HYJLQEVDVFPWNG-KBXCAEBGSA-N 309.413 3.484 0 40 DGAB C[C@H]1CCCC[C@H]1CNCc1ccc(CS(C)(=O)=O)cc1 195559843 KOZGYRYCSYHXLC-YOEHRIQHSA-N 309.475 3.147 0 40 DGAB C[C@H]1CN(Cc2cnc(-c3ccccn3)s2)C(C)(C)CO1 195563314 KVUDYPYOAOQZKO-LBPRGKRZSA-N 303.431 3.204 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)N[C@H](C)CC 223139377 DUSTUZLCJYQQED-KGLIPLIRSA-N 322.424 3.258 0 40 DGAB COc1cccc(C2=NO[C@H](c3nc(-c4ccncc4)no3)C2)c1 193200191 UNOXLHCPYRNWFO-HNNXBMFYSA-N 322.324 3.006 0 40 DGAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCc1nc(-c2ccsc2)no1 578485204 AWQOOLHMCAIBRK-YUTCNCBUSA-N 319.430 3.091 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C1 96192709 UPVSBELNSKKWIP-IYOUNJFTSA-N 300.402 3.074 0 40 DGAB Cc1ccc(F)cc1C(=O)N(C)Cc1cc(C(=O)O)c(C)o1 96480440 SITQFWMWUCJKSP-UHFFFAOYSA-N 305.305 3.006 0 40 DGAB Cn1ccc(NC(=O)Nc2cc(-c3ccco3)ccc2F)n1 97099215 FXYFNZMMCZGSJU-UHFFFAOYSA-N 300.293 3.463 0 40 DGAB Cc1cc(NC(=O)c2ncco2)cnc1N1CCCC[C@@H]1C 585129425 JAVJTNGPNVENIE-LBPRGKRZSA-N 300.362 3.009 0 40 DGAB O=C(O)c1ccccc1-c1ccc(Cn2ccccc2=O)cc1 257241816 HZSQTAXPJHGWHR-UHFFFAOYSA-N 305.333 3.262 0 40 DGAB Cc1cccc2nc(CCNC(=O)c3ccoc3C3CC3)cn12 585140301 BYCPRVMVKXQARU-UHFFFAOYSA-N 309.369 3.086 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc3c2OCCO3)cn1 66770807 SOSPNELFWHCYMQ-MRXNPFEDSA-N 324.380 3.139 0 40 DGAB CC(=O)NCc1ccc(C(=O)N2CCC[C@@H]2C2CCCCC2)o1 69378652 BXLXYRKQNVNQGY-MRXNPFEDSA-N 318.417 3.101 0 40 DGAB COc1nc2ccccc2cc1CNc1cnc2n[nH]c(C)c2c1 547325693 LSKQIAOUMPBCKA-UHFFFAOYSA-N 319.368 3.435 0 40 DGAB Cc1ccc(SCCNC(=O)COc2ccccc2F)cc1 5280802 DCKIKHOLHZOPQP-UHFFFAOYSA-N 319.401 3.421 0 40 DGAB CCOC(=O)/C=C1\C(=O)N(Cc2ccccc2)c2ccccc21 17858078 KHQUBSSRZHHZFH-VBKFSLOCSA-N 307.349 3.180 0 40 DGAB O[C@H]1CCN(Cc2cscn2)C[C@H]1Cc1ccc(Cl)cc1 643913531 ATCKVVHJBKQCDH-CJNGLKHVSA-N 322.861 3.222 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)Nc1nc2c(s1)CCC2 30891370 XZWDDXYOSRXKKM-NSHDSACASA-N 302.399 3.176 0 40 DGAB Cc1cc(N2CCOCC2)ccc1NC(=O)C[C@@H]1C=CCC1 36392552 OMQJKADNTSBTDN-OAHLLOKOSA-N 300.402 3.126 0 40 DGAB CCc1nnc(-c2cccc(OCC(=O)Nc3ccccc3)c2)o1 12443764 GIULPZDFBCNXMH-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB COc1cccc(CN2CCC(Oc3nccs3)CC2)c1 2086884465 WVHSIJVTAMGNGU-UHFFFAOYSA-N 304.415 3.195 0 40 DGAB C[C@@](O)(CNC(=O)Cc1ccccc1Cl)Cc1ccsc1 618257416 XGRAPXFTPWRWJB-INIZCTEOSA-N 323.845 3.054 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2nccs2)c2ccccc12 11615830 REUHEJVLMFHTCT-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB COCCCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 40129249 RCGKSYMUCWNYSA-UHFFFAOYSA-N 312.341 3.453 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnoc2-c2ccc(F)cc2)cc1 119453 AZSYLIRLSQHADM-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB Cc1nc2ccccn2c1C(=O)N[C@@H]1CCCc2ccccc21 928597 SZCQVWZYGKJJJV-MRXNPFEDSA-N 305.381 3.450 0 40 DGAB Cc1ccc2c(c1)N(Cc1ccc3c(c1)OCO3)C(=O)[C@@H](C)O2 1328445 DFUNVKLNXLHMQJ-GFCCVEGCSA-N 311.337 3.038 0 40 DGAB O=C1C[C@H](Sc2ccc(F)cc2)C(=O)N1c1ccccc1 261304 PIIDYJWIQCUCFF-AWEZNQCLSA-N 301.342 3.250 0 40 DGAB CC[C@H](C)[C@H](NC(=O)N[C@@H](C)CCCC(C)C)C(=O)OC 6358416 VNSUOBYJAXLNLM-IHRRRGAJSA-N 300.443 3.088 0 40 DGAB CCCc1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)cc1 6891248 WZKBTNVVFFZMCN-BQFCYCMXSA-N 305.462 3.357 0 40 DGAB O=C(CNC(=O)Nc1ccccc1)Nc1cccc(Cl)c1 11766451 XDLPKDBJOSNTNE-UHFFFAOYSA-N 303.749 3.100 0 40 DGAB COc1ccc(C(=O)N2CCOc3ccccc32)cc1Cl 32624449 HOPIUNDOXNJOJW-UHFFFAOYSA-N 303.745 3.388 0 40 DGAB CCOc1cc(C(=O)OCC(=O)c2ccccc2)ccc1OC 10039439 JPRFMUSNVSGJNC-UHFFFAOYSA-N 314.337 3.134 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1 8556663 YNUGDWRMARWLOO-UHFFFAOYSA-N 310.397 3.396 0 40 DGAB COc1ccc(COC[C@H](O)CN(CC(C)C)CC(C)C)cc1 2660244 WEWMYMNDIKKMQI-GOSISDBHSA-N 323.477 3.187 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1cccc(C(=O)NC2CC2)c1 8117213 OWIUIQRCQKFTEJ-FMIVXFBMSA-N 306.365 3.231 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3cccs3)on2)s1 11917428 AIKMUEMBPFGPIS-UHFFFAOYSA-N 306.372 3.069 0 40 DGAB CCCC(=O)OCc1nc2sccn2c1Br 71914284 RNXBDBHUSFCXIW-UHFFFAOYSA-N 303.181 3.002 0 40 DGAB COc1ccc(CN2CCN([C@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101372520 VACDMCFOADTCIC-LMMKCTJWSA-N 300.446 3.001 0 40 DGAB Cc1ccc(CN2CCN(C(=O)c3ccc(C)s3)CC2)cc1 20367213 YHSDBLOBPNPNCU-UHFFFAOYSA-N 314.454 3.323 0 40 DGAB Cc1ccc(C)c(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 22027916 BNAXNJZAPOEESV-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)/C=C/c2cccc(F)c2)C1 46959917 AQOYMMGQTZYGLX-HVHJFMEUSA-N 304.409 3.077 0 40 DGAB CC(C)N1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 53371298 CADKUKCJWMQRJH-RHSMWYFYSA-N 318.461 3.325 0 40 DGAB Cc1cn(S(=O)(=O)c2ccc(Cl)c3ccccc23)cn1 27588389 BFLVDXPCWBCYRC-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)C[C@H]3C[C@H]4CC[C@H]3C4)ccc21 104251416 QWSGPQARCPHFNN-OFQRWUPVSA-N 312.413 3.360 0 40 DGAB OCCNc1nc2ccccc2n1Cc1cccc2cccnc12 54191791 XOELJIYGLOJDGZ-UHFFFAOYSA-N 318.380 3.037 0 40 DGAB O=c1[nH]c(Cc2ccc(C(F)(F)F)cn2)nc2ccc(F)cc12 54756480 HUXDCSFPYZCFDS-UHFFFAOYSA-N 323.249 3.067 0 40 DGAB NC(=O)Nc1cccc(C(=O)N[C@@H](c2ccccc2)C2CC2)c1 24027381 SKSPJLXKXJSRHE-INIZCTEOSA-N 309.369 3.058 0 40 DGAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 106523888 FOTRPQNJJTWSOL-RIVXBTQJSA-N 323.440 3.356 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)c2sc3ncnn3c2C)cc1 1404979 RNHKSVMGPQATPG-NSHDSACASA-N 301.371 3.326 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)c1ncnc2c1cnn2C 43537216 AQXLOLUPZQDRPL-UHFFFAOYSA-N 321.306 3.019 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cccc(C)n2)cc1C 35220351 ARNCCSLQMJVYJZ-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB Cc1c(C)c2cc(Cl)c3c(c2oc1=O)CN(C1CC1)CO3 57142627 RTTDALFNTFRSGC-UHFFFAOYSA-N 305.761 3.378 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58190792 FGSCQOIDKUMGGS-KBPBESRZSA-N 320.383 3.264 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)N1CCc2sccc2C1 10106634 QLCKFNZHAOPJDT-CYBMUJFWSA-N 300.427 3.442 0 40 DGAB Cc1cccc(C(C)(C)CNC(=O)NCc2cc(C)on2)c1 58203337 DPKPFEGSTQAFOV-UHFFFAOYSA-N 301.390 3.068 0 40 DGAB COc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1OC 12686044 DHDVCLGWMRFARM-UHFFFAOYSA-N 321.373 3.068 0 40 DGAB CN(Cc1cc(=O)n2ccccc2n1)[C@@H]1CCCc2ccccc21 27906411 DMZBMWUFDRSGIQ-GOSISDBHSA-N 319.408 3.204 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc(C(N)=O)s2)c2ccccc21 58438173 MGECPVDNINYPHS-SNVBAGLBSA-N 300.383 3.001 0 40 DGAB COc1c(CN[C@@H]2CCSc3ccccc32)c(C)nn1C 58405272 XVGIBMOAXWHVHH-CQSZACIVSA-N 303.431 3.064 0 40 DGAB C[C@@H](c1ccccc1)N1CCN(C(=O)c2ccccc2F)CC1 12749725 KSFARFBSQAPFIU-HNNXBMFYSA-N 312.388 3.345 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C)C(=O)NCCC2=CCCCC2)n1 12750493 OHUDZUUXXQJKNZ-GFCCVEGCSA-N 322.478 3.415 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCO2 3597854 AZTBDDABJAVHJU-UHFFFAOYSA-N 308.337 3.468 0 40 DGAB COc1ccc(CC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 3558475 OMOWJCONADUVKI-UHFFFAOYSA-N 323.348 3.291 0 40 DGAB Sc1nnc(COc2ccc(Cl)cc2)n1Cc1ccco1 13140514 JRPGHUSXFQSJRQ-UHFFFAOYSA-N 321.789 3.441 0 40 DGAB Cn1c(SCC(=O)c2c[nH]c3ccccc23)nnc1C1CC1 13141357 RPOCEKVTCVTPIN-UHFFFAOYSA-N 312.398 3.149 0 40 DGAB CC(C)Sc1ccc([C@H](C)NC(=O)CCn2cncn2)cc1 69527781 OOHXDPZRBAITJB-ZDUSSCGKSA-N 318.446 3.046 0 40 DGAB Cc1ccc(C(=O)Nc2c(-c3ccc(F)cc3)ncn2C)cn1 69453891 ICCDALTXIHMDLB-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB C[C@H](C(=O)N(C)CCc1cccc2ccccc12)n1ccnc1 69589008 KBZWHGXHFVSYMF-OAHLLOKOSA-N 307.397 3.298 0 40 DGAB COc1ccc(C(=O)N(c2ccc(OC)c(F)c2)C(C)C)cn1 69659747 MGJYEJWCRYEYQH-UHFFFAOYSA-N 318.348 3.293 0 40 DGAB CCCc1nn2c(N)c(C(=O)OCC)cnc2c1-c1ccccc1 20635970 BLLGNWYCGJBYHV-UHFFFAOYSA-N 324.384 3.108 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(Cl)cc1 5278458 QYZFKXIFUBMNDX-UHFFFAOYSA-N 323.801 3.386 0 40 DGAB CCO[C@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 65576562 OQAZPJDJOQRVHJ-NSHDSACASA-N 314.332 3.321 0 40 DGAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccccc1F)C2 4520088 HWROVVHMHVKBMX-JTQLQIEISA-N 302.301 3.426 0 40 DGAB Cc1cccc(CCNC(=O)Nc2nnc(C(F)F)s2)c1 65614502 IXJBAKAOQHVNMF-UHFFFAOYSA-N 312.345 3.148 0 40 DGAB CC[C@H](C)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5450811 CRIBHMPKLWFZLL-SJCJKPOMSA-N 316.401 3.106 0 40 DGAB CC(C)CC(=O)Nc1cccc(C(=O)Nc2nccs2)c1 4603909 CZRFLDZCOMRDDU-UHFFFAOYSA-N 303.387 3.380 0 40 DGAB Cc1cn2c(CN3CCC[C@H](c4cn[nH]c4)C3)c(C)nc2s1 92810017 DWIQQLQLIAPOAN-ZDUSSCGKSA-N 315.446 3.115 0 40 DGAB CCNC(=O)c1cccc(NC(=O)CCC(=O)c2ccccc2)c1 15023086 PRAIHNDSRKJEFE-UHFFFAOYSA-N 324.380 3.038 0 40 DGAB Cn1ccc(NC(=O)COc2ccccc2-c2ccccc2)n1 7696821 CLWYEEOCVRNXMF-UHFFFAOYSA-N 307.353 3.105 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2ccccn2)c1 9322236 YCYIBCWGNOWYMO-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB O=C1NC2=C(CCc3ccccc32)[C@H](c2ccc3c(c2)OCO3)N1 9318058 VFCQSJFCIPPFFQ-KRWDZBQOSA-N 320.348 3.127 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2csc(-c3ccco3)n2)cn1 71799309 MSYKQWAVPKEIEK-AWEZNQCLSA-N 314.414 3.474 0 40 DGAB CC[C@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 9750320 XWWNMBCQKVWFSW-JTQLQIEISA-N 307.394 3.223 0 40 DGAB Cc1nn(C)c(Cl)c1CNC1CCN(c2ccccc2)CC1 71825264 HXVBJHHNMSCSIQ-UHFFFAOYSA-N 318.852 3.141 0 40 DGAB O=C(NCc1ccco1)c1nnsc1-c1ccc(Cl)cc1 72242900 YIFPEBWLLDTMNK-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CCc1ocnc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1 72292221 RLPPWEKQBUCBPH-LLVKDONJSA-N 305.403 3.369 0 40 DGAB CC[C@H]1CCc2ccccc2N1CC(=O)N(C)CC(F)(F)F 72313283 SUMSQVAQRRQGLO-ZDUSSCGKSA-N 314.351 3.239 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 97234466 RMBYJXADCZLHKX-RRFJBIMHSA-N 322.478 3.321 0 40 DGAB C[C@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)c1cccs1 84661315 FESGRBUAFMZXJT-JQWIXIFHSA-N 317.414 3.476 0 40 DGAB CCOc1cccc(CNc2cccc(N3CCNC3=O)c2)c1 95352018 ILUHYGRSCPFSLM-UHFFFAOYSA-N 311.385 3.227 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cnsn1 95463155 SKQJFWBFXCMRAU-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB Cc1nnc(-c2cccc(C(=O)OCc3cccs3)c2)o1 95415938 DNLYCTNUAWNHON-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB O=C(Nc1cccnc1Cl)N[C@H](CCO)c1cccs1 76019914 BMSWGXVVRIHMHS-SECBINFHSA-N 311.794 3.042 0 40 DGAB O=C(Nc1ccccc1O)c1cccc(Oc2cnccn2)c1 76989514 QTCNCVRMEKNOAE-UHFFFAOYSA-N 307.309 3.227 0 40 DGAB CCOc1ccc(NC(=O)N[C@H](CC)c2c(C)noc2C)cn1 95975656 KYMLNADBDOQRAX-CYBMUJFWSA-N 318.377 3.358 0 40 DGAB CCS[C@@H]1CC[C@H](NC2CCN(c3nccs3)CC2)C1 95990242 AGGIHLVDXLJDQP-UONOGXRCSA-N 311.520 3.376 0 40 DGAB CCO[C@H](C(=O)N(C)Cc1c(C)noc1C)c1ccccc1 95955311 IHLLUBRNOPTHAA-INIZCTEOSA-N 302.374 3.028 0 40 DGAB Cc1noc(C)c1CNC(=O)N(C)Cc1cccc(Cl)c1 95955187 QBILYCLEHKBXBK-UHFFFAOYSA-N 307.781 3.286 0 40 DGAB COCc1cc(C(=O)N(c2ccc(OC)c(F)c2)C(C)C)no1 74728013 GBJWRPQJFMHUNV-UHFFFAOYSA-N 322.336 3.024 0 40 DGAB CCc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cc1 89284863 JUYGDERNQSLQJV-HKUYNNGSSA-N 314.473 3.376 0 40 DGAB C[C@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1 75137117 PZHSOQJMBJKPBT-HZMBPMFUSA-N 320.780 3.057 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)NCc3ncccc3C)cc2)o1 78988662 GTVPQQHEZMYEKI-UHFFFAOYSA-N 323.356 3.070 0 40 DGAB C[C@H]1CCN(C(=O)COCC(F)(F)F)[C@H]1c1cccc(F)c1 78972307 MAHFDIBRXKYZKK-IINYFYTJSA-N 319.298 3.314 0 40 DGAB CC(C)COc1ncccc1C(=O)N1CCC(F)(F)C[C@H]1C 530012455 IQVGXEJEGBTJOH-GFCCVEGCSA-N 312.360 3.376 0 40 DGAB Cc1nc(COc2cccc(C(F)(F)F)c2)ncc1C(=O)O 217397463 QSSJIRUNISVIAD-UHFFFAOYSA-N 312.247 3.081 0 40 DGAB CC(C)[C@@H](C)N(C(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1 79317198 OWLPXNVNXPAMRE-GFCCVEGCSA-N 300.402 3.220 0 40 DGAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1cccnc1 79043357 GFFWHNSKYYWSRK-NSHDSACASA-N 322.767 3.000 0 40 DGAB COc1cccc(CNC(=O)c2cn[nH]c2-c2cccs2)c1 71115948 PTVYJDHAGTZNIM-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB CCO[C@@]1(C(F)(F)F)Oc2ccc(C)cc2C=C1C(=O)O 217810872 NRSPRAPGORUNMB-CYBMUJFWSA-N 302.248 3.151 0 40 DGAB CCOC(=O)CCCCCCNC(=O)Nc1ccccc1OC 40146037 QAKWZIUPNLHDNG-UHFFFAOYSA-N 322.405 3.330 0 40 DGAB CO[C@@H](CNC(=O)N(C)Cc1ccc(C)o1)c1ccc(F)cc1 225789614 UEPVMOQINXGLQH-INIZCTEOSA-N 320.364 3.256 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)N1CCCC[C@@H]1C 225713662 GUOHAOSSSNLHLQ-XNHWPECASA-N 305.418 3.081 0 40 DGAB CCOCc1ccc(CNC(=O)Cc2cccc(F)c2)cc1 45848992 GFRWTTMFSLXWCF-UHFFFAOYSA-N 301.361 3.221 0 40 DGAB CCNC(=O)c1ccc(N[C@H](C)CCc2ccccc2)c(N)c1 225449071 CGQJRMJNYFLVLD-CQSZACIVSA-N 311.429 3.452 0 40 DGAB CCCOc1ccc(NC(=O)C(C)(C)OCC)cc1C(=O)OC 225813661 TYVVNABDOMKPOF-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB CC(C)(C)n1ncnc1CSc1ncnc2ccsc12 225749487 DIWDIPXLQQOHKG-UHFFFAOYSA-N 305.432 3.330 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)NC[C@@H]1CCSC1 225585008 NNLCMANKVMJREU-HNNXBMFYSA-N 322.474 3.034 0 40 DGAB O=C(NCCCN1CCCCC1)c1ccc2c(c1)CCCC2 225628922 BHGHSVOJGAXILI-UHFFFAOYSA-N 300.446 3.171 0 40 DGAB CCN(CCNC(=S)Nc1cccnc1)c1ccc(C)cc1 225794563 SOEWZOGKGYGQER-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB O=C(NCCc1ccccc1)NCc1ccc(-c2ccco2)nc1 225753032 XUCROFAHJGBBCT-UHFFFAOYSA-N 321.380 3.384 0 40 DGAB Cc1nc(Cc2noc(C3CN(C4CCCCC4)C3)n2)cs1 333932082 GMUVUCKCBUPPFO-UHFFFAOYSA-N 318.446 3.157 0 40 DGAB Cc1ccccc1[C@H](CO)N[C@H]1CCC[C@@H](c2ccnn2C)C1 579313819 SFGZCAJXQWSGJJ-RYRKJORJSA-N 313.445 3.078 0 40 DGAB O=C(C1=CCCCC1)N1CCC[C@]2(C[C@H](OCC3CC3)CO2)C1 96107495 KTFJWDJYBYSIQN-HKUYNNGSSA-N 319.445 3.064 0 40 DGAB CCc1nc(C)ncc1C(=O)N1CCCc2cc(F)c(F)cc21 96410955 PKLQRXGCOSYPTR-UHFFFAOYSA-N 317.339 3.219 0 40 DGAB C[C@H](NC[C@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C 585134725 HPBPOGIFLMZVMR-QWHCGFSZSA-N 322.840 3.154 0 40 DGAB O=C(NC1CCC(F)(F)CC1)c1ccc(Cn2ccnc2)cc1 342475095 MKRNCZDPKUXHSS-UHFFFAOYSA-N 319.355 3.239 0 40 DGAB COc1ccc2o/c(=N\c3ccccc3C)c(C(N)=O)cc2c1 100086568 MSMUAAKQMODPPY-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB c1cc(OCCc2ccc3c(c2)CCO3)cc(-c2nnco2)c1 97103785 ZZMQSEYLYNUUPV-UHFFFAOYSA-N 308.337 3.293 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1C 13320347 MJSKIYANFCWTMW-BMFZPTHFSA-N 301.386 3.148 0 40 DGAB Cc1nnc(NC(=O)Nc2cccc(C(F)(F)F)c2)nc1C 16265741 INCYZHANMUSOLM-UHFFFAOYSA-N 311.267 3.151 0 40 DGAB Cc1cc(C)cc(NC(=O)c2ccc3nc(C4CC4)cn3n2)c1 1888906726 ADJWKYHJTISXOF-UHFFFAOYSA-N 306.369 3.476 0 40 DGAB O=C(c1cc2ccccn2c1)N1CCC(Oc2ccncc2)CC1 244914806 BEQSRGQKORNQMW-UHFFFAOYSA-N 321.380 3.018 0 40 DGAB O=C(Nc1cccs1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523418 NOPCDPKHYFREFX-RYUDHWBXSA-N 302.403 3.345 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2cccs2)o1 4275999 DKCZFJJLMWZMQT-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB O=C(Cc1ccc(Cl)s1)N1CCN(c2ccccc2)CC1 10061083 NFUXMPUNCBVVLS-UHFFFAOYSA-N 320.845 3.293 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccsc1 13011236 UWDLBVDFMVAXEC-CQSZACIVSA-N 310.369 3.059 0 40 DGAB O=c1[nH]c2c(s1)[C@H](c1cccnc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100186483 RRGJAKVGOZYHOQ-CSBRLYRZSA-N 316.451 3.484 0 40 DGAB Cn1cc(CC(=O)NC[C@H]2COc3ccccc32)c2ccccc21 561857126 XCQPNDOUAAMCGS-HNNXBMFYSA-N 320.392 3.013 0 40 DGAB COc1ccc2cc(C(=O)NCc3cncc(C4CC4)c3)[nH]c2c1 575619109 GNQSDKIBKIZCNP-UHFFFAOYSA-N 321.380 3.379 0 40 DGAB O=C(Nc1ccc(-c2ccncc2)nc1)c1ccc2c(c1)OCO2 585149392 NUKPHXAHOKSTTH-UHFFFAOYSA-N 319.320 3.125 0 40 DGAB CC(=O)Nc1cc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)ccc1F 30010756 CWWLDFUCNCMZHN-LBPRGKRZSA-N 323.412 3.230 0 40 DGAB CC(C)(C)n1cc(C(=O)C(=O)Nc2ccc(Cl)cc2F)cn1 40118653 FBKONHLMUHAJNA-UHFFFAOYSA-N 323.755 3.252 0 40 DGAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nc2ccccc2o1 40497994 NHQBTAPNAITEKI-OCCSQVGLSA-N 321.380 3.196 0 40 DGAB CCOC(=O)c1noc(Oc2ccc(Cl)cc2Cl)n1 78415 ASAYMGUIJHIHPW-UHFFFAOYSA-N 303.101 3.345 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C)c(C)c1 4882163 IVQJWQQICFCZRB-UHFFFAOYSA-N 301.415 3.284 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 6787516 YWWOLPZOUCIVNW-ZMLRMANQSA-N 317.355 3.466 0 40 DGAB COc1cccc2cc(C(=O)N(C)C3CCCCC3)c(=O)oc12 384549 ZJBCZSRFRJDOEH-UHFFFAOYSA-N 315.369 3.206 0 40 DGAB O=C(Nc1nncs1)c1cccnc1Sc1ccccc1 21216162 RLHINALMNQWAER-UHFFFAOYSA-N 314.395 3.337 0 40 DGAB Cc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1C 10064140 SPCYUFOUUHELPO-UHFFFAOYSA-N 308.425 3.195 0 40 DGAB COc1cc([C@H](C)NC(=O)CCSC)ccc1OC(C)C 32914546 VHAPSBIRMLUTAP-LBPRGKRZSA-N 311.447 3.413 0 40 DGAB CCCC(=O)Nc1cc(NC(=O)c2ccco2)ccc1OC 557691 VFJUPUFCNCKLGI-UHFFFAOYSA-N 302.330 3.279 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C1=O 100397571 CXJSEJWMMXJMDC-ARMQCYDYSA-N 313.784 3.206 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 53733636 TYHPUGPWXUSXQM-NSHDSACASA-N 310.357 3.047 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)Cn1nc(C)cc1C 808150 LUBDHBVMIJITBW-QGZVFWFLSA-N 311.429 3.441 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)c1 47955282 CNGQBEDKBQYGSK-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3cccc(OC)c3)C2=O)cc1 101275903 TXJVSRAFPAWROU-QGZVFWFLSA-N 324.380 3.002 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2cccc(F)c2)c1 25287323 CIGKRFZNKXFJBS-UHFFFAOYSA-N 310.332 3.356 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1cc(Br)c[nH]1 35179583 PLPWRLUHWSKCEZ-UHFFFAOYSA-N 307.191 3.440 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)cc1F 28221416 UEOKHZDKPQDDKM-UHFFFAOYSA-N 318.308 3.131 0 40 DGAB O=C(OCc1cc(-c2ccco2)on1)c1cnc2ccccc2n1 27784361 PENASSAEIKJVJK-UHFFFAOYSA-N 321.292 3.235 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NCc1ccnc(N(C)C)c1 44969281 ZEOQMZVIDAFWDH-LBPRGKRZSA-N 318.446 3.112 0 40 DGAB CCCNCc1cn(Cc2ccccc2)nc1-c1cccnc1 58392899 SFKRJXZWLQOKJI-UHFFFAOYSA-N 306.413 3.493 0 40 DGAB Cc1ccc(CNCc2ccc(-n3ccnc3C)nc2)cc1C 48782337 OINXFKRKXGYWHM-UHFFFAOYSA-N 306.413 3.482 0 40 DGAB Cc1noc(C)c1COc1ncnc2sc3c(c12)CCC3 13137714 GOHHFIZISPCWHR-UHFFFAOYSA-N 301.371 3.364 0 40 DGAB CC(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2)n(C)c1 49226904 JCCTVQKBRNODFC-UHFFFAOYSA-N 300.358 3.267 0 40 DGAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccnc1 20143471 XUNLIGPZTJNBSK-UHFFFAOYSA-N 324.336 3.095 0 40 DGAB CCNc1c2c3c(cccc3n(C)c1=O)C(=O)c1ccccc1-2 13615739 AVFQMEROHOFTEF-UHFFFAOYSA-N 304.349 3.182 0 40 DGAB O=C(Nc1cccnc1)c1ccc2nc(C(F)(F)F)[nH]c2c1 13693047 LDKUOBXXQFKYBG-UHFFFAOYSA-N 306.247 3.229 0 40 DGAB O=C(c1cn2ccccc2n1)N1CCCCC[C@@H]1c1ccncc1 49764584 KLUYGAMARIPRHF-QGZVFWFLSA-N 320.396 3.487 0 40 DGAB CC(C)(C)c1cnc(CN2CCC(N3CCCCC3)CC2)o1 69443419 WRGRQLSBFIDMME-UHFFFAOYSA-N 305.466 3.422 0 40 DGAB c1ccc2oc(C3=NN=C(NC[C@H]4CCCO4)SC3)cc2c1 6237845 COUGSEDZVJNIJO-GFCCVEGCSA-N 315.398 3.008 0 40 DGAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)c(Cl)c1 65549916 IPEXURRRVAQPOO-ZUZCIYMTSA-N 306.768 3.356 0 40 DGAB COc1ccccc1/C=C1/C(=O)N(c2ccccc2)C(=S)N1C 409043495 MQKBDSLOXJIHFT-QINSGFPZSA-N 324.405 3.300 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@H](C)O1 14114423 HMZWTRDVZADNQZ-STQMWFEESA-N 312.413 3.296 0 40 DGAB CC(C)[C@H]1NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 14673638 ZQVUEYVRAQNFOB-LLVKDONJSA-N 301.173 3.070 0 40 DGAB COc1ccc(CNC(=O)N2CCCC2)c(C(F)(F)F)c1 69655740 KHZPHXAGFDSEDO-UHFFFAOYSA-N 302.296 3.019 0 40 DGAB CCCCN(Cc1c(C)cc(C)cc1C)[C@@H]1CCS(=O)(=O)C1 66543944 LFRZQKNBVWAYMB-QGZVFWFLSA-N 323.502 3.401 0 40 DGAB COc1cccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c1 8768317 QFIOEILCPHUYPH-GOSISDBHSA-N 313.353 3.066 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)[nH]c2c1 69740716 MQQPDZRWWNNENK-HNNXBMFYSA-N 308.385 3.150 0 40 DGAB NC1=Nc2nc3ccccc3n2[C@@H](c2ccc3ccccc3c2)N1 7126863 UVXSOMGZXFWLJH-KRWDZBQOSA-N 313.364 3.286 0 40 DGAB CN(CCc1ccncc1)C(=O)c1sccc1OC(F)F 69842593 HDNSPSNGVCOBMQ-UHFFFAOYSA-N 312.341 3.059 0 40 DGAB CCOc1ccccc1CNCc1ccc([S@@](C)=O)cc1 80366824 GJWUPJUXTHVFLW-NRFANRHFSA-N 303.427 3.113 0 40 DGAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@H](c2cnn(C)c2)S1 71286371 GDAWYWHCROWLMC-ZDUSSCGKSA-N 317.418 3.323 0 40 DGAB C[C@@H](NC(=O)CCC1CCCC1)c1ccc(S(C)(=O)=O)cc1 9113389 QLKCCIVXQBGRHI-CYBMUJFWSA-N 323.458 3.238 0 40 DGAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C 9307038 RLCWSBDUFBUKGL-UHFFFAOYSA-N 300.402 3.313 0 40 DGAB NC(=O)[C@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 71824508 DMIQJJXECSMPLV-HZPDHXFCSA-N 300.789 3.144 0 40 DGAB COc1cc2ncnc(N[C@H](C)c3ccccn3)c2cc1OC 9833609 GXKPAVTVBCJIRK-LLVKDONJSA-N 310.357 3.215 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3F)C2)sc1C 72297526 NMNHQWXNPKAYNV-GFCCVEGCSA-N 319.405 3.314 0 40 DGAB Cc1cc(CNC(=O)N(Cc2ccc(F)cc2F)C2CC2)no1 72270908 USIIJUAUXWSCGQ-UHFFFAOYSA-N 321.327 3.135 0 40 DGAB CC(C)n1cc(NC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)cn1 89894049 MVIKCRWAPAEMHM-XJKSGUPXSA-N 316.405 3.098 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC[C@H]2CCC[C@@H]21 84335607 BOXXZEICCMHXSH-PWSUYJOCSA-N 316.327 3.242 0 40 DGAB CO[C@@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)c1ccccc1 84637491 CJYCTLMHJTVXTC-RDTXWAMCSA-N 313.397 3.217 0 40 DGAB CCCc1n[nH]c(SCc2csc([C@@H]3CCCO3)n2)n1 95442156 CCOIAOCTOVUZIW-JTQLQIEISA-N 310.448 3.358 0 40 DGAB C[C@]1(c2nc(C3CC3)no2)CCCN(C(=O)CC2CCCC2)C1 75876527 YMHKDXYJJALOKG-SFHVURJKSA-N 317.433 3.407 0 40 DGAB C[C@@H](CNC(=O)N(C)Cc1ccncc1)c1ccc(F)cc1F 74886186 VXDJIZDVKQVQGG-LBPRGKRZSA-N 319.355 3.305 0 40 DGAB CNC(=O)c1ccc(NC(=O)[C@H](c2ccccc2)C(C)C)cc1 79290803 LNURCZPDJBRRQA-KRWDZBQOSA-N 310.397 3.425 0 40 DGAB CN(C)C(=O)c1cccc(CSc2nccn2C2CC2)c1 60428989 YHTAFYGQBORUKO-UHFFFAOYSA-N 301.415 3.212 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)NC[C@@]1(C)CCCS1 120496253 DYGTYTKRLGBZRN-SUMWQHHRSA-N 322.474 3.288 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1C(=O)OCCc1scnc1C 78442180 PXLLNROPXNYWSD-UONOGXRCSA-N 317.410 3.350 0 40 DGAB O=C(c1ccccc1)N1CCC[C@H](NCc2ccsc2)C1 78553577 UQYJMTHRJCCCHW-INIZCTEOSA-N 300.427 3.143 0 40 DGAB C[C@@H](c1cnccn1)N1CCC(CN2CCc3ccccc32)CC1 184546942 VUDNRUKDFYRWAV-INIZCTEOSA-N 322.456 3.312 0 40 DGAB CC(C)CN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1 72216185 BEMVNOXOZXOOQZ-KRWDZBQOSA-N 303.450 3.101 0 40 DGAB Cc1cc(N2CCOCC2)nc2sc3c(Cl)ncnc3c12 71280358 IDTHVPPAXWFMIR-UHFFFAOYSA-N 320.805 3.038 0 40 DGAB Cc1ncn(-c2ccc(Br)cc2OC(F)(F)F)n1 2362803498 GOIULCYDSHKNGQ-UHFFFAOYSA-N 322.084 3.237 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 78671150 ZGHVWJZZCVSFAU-YPMHNXCESA-N 308.249 3.378 0 40 DGAB CCCn1c(CN2C[C@@H]3CCCN3C[C@H]2C)nc2ccccc21 72324673 XIXUFCARCVYXMU-CVEARBPZSA-N 312.461 3.115 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@H]3CC[C@@H]1N3C(=O)C(C)C)O2 72342951 JXZYYFPMWQQSMX-FMEYXAORSA-N 313.397 3.118 0 40 DGAB C[C@H](Sc1ncnc2nc[nH]c12)c1nc(-c2ccccc2)no1 73966108 HPXCENHEANEFQN-VIFPVBQESA-N 324.369 3.256 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72228091 ZZCARHSUPXOKSB-HOTGVXAUSA-N 316.788 3.154 0 40 DGAB O=C(O)c1conc1[C@@H](O[C@H]1CCCCO1)c1ccc(F)cc1 504206477 VAKCHQZZVIWYSP-ZFWWWQNUSA-N 321.304 3.145 0 40 DGAB COc1cc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)cc1C 222632167 XDUYOWWQEZUZJZ-UHFFFAOYSA-N 313.463 3.271 0 40 DGAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801226 AUTXQMOPFVKNBF-NSHDSACASA-N 305.353 3.113 0 40 DGAB CCN(C(=O)Cn1c([C@H](C)O)nc2ccccc21)c1ccccc1 40225081 MTFPRKHXBBOINO-AWEZNQCLSA-N 323.396 3.143 0 40 DGAB Cc1ccc(NC(=S)NCCCN(C)c2ccccc2)nc1 225749130 VAIDAUAGYLYPPO-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB Cc1ccccc1SCC(=O)N1CCn2cccc2[C@@H]1C 48325900 YDEHPSSEZNGSBD-AWEZNQCLSA-N 300.427 3.492 0 40 DGAB O=C(c1cn(-c2cccc(C(F)(F)F)c2)cn1)N1CCCC1 226751403 MWVNBNSMCJMOHK-UHFFFAOYSA-N 309.291 3.127 0 40 DGAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCOC 44899686 POWMNKMNBTYGGM-INIZCTEOSA-N 301.386 3.150 0 40 DGAB CC(C)(C)CNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 225807380 LLTUBCFUSDHTOL-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2ccc3oc(=O)ccc3c2)c1 40155122 CTWUPCUKDJOZQI-WEVVVXLNSA-N 321.332 3.454 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)[nH]1 222853730 AVJXXSNCLUKHOS-LSDHHAIUSA-N 300.431 3.099 0 40 DGAB CCCc1nnc(NC(=O)CCSc2ccccn2)s1 87059674 JYSKPQCRHNMLLN-UHFFFAOYSA-N 308.432 3.007 0 40 DGAB Cc1cc(Oc2ccccc2)nc(NC(=S)NC(C)C)n1 225889850 UFKHBWKWFJYXMF-UHFFFAOYSA-N 302.403 3.272 0 40 DGAB CC[C@H](NC(=O)NC1CCC(C(F)(F)F)CC1)[C@@H]1CCCO1 95440223 RKYOXLGJVHHWIG-TYUFSLCMSA-N 322.371 3.364 0 40 DGAB CC(C)c1nnc2n1C[C@@H](NCc1ccc(Cl)c(F)c1)CC2 97199437 ABUBNRMRRLSIPF-LBPRGKRZSA-N 322.815 3.299 0 40 DGAB CSc1cccc(N(C)Cc2ccc(C(=O)N(C)C)[nH]2)c1 97376994 MSXAHSYLVGHIMF-UHFFFAOYSA-N 303.431 3.075 0 40 DGAB O=C(OC[C@H]1CCN(c2ccccc2)C1)c1cn2ccccc2n1 96442375 SDVGWKTWISGSTO-HNNXBMFYSA-N 321.380 3.018 0 40 DGAB Cc1occc1C(=O)N1CCC2(CC1)CC(N1CCCC1)C2 96159218 RJNWCJJQBDJYGG-UHFFFAOYSA-N 302.418 3.069 0 40 DGAB CC(=O)c1cccc(NC(=O)NC[C@H]2CCO[C@H]2C(C)C)c1 96454092 RYBARDJCVFYEOZ-ZBFHGGJFSA-N 304.390 3.072 0 40 DGAB CCn1nccc1-c1cncc(C[C@H]2CCCN(C(C)C)C2)n1 257246702 IVKOXMYUDANZRZ-OAHLLOKOSA-N 313.449 3.023 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H]1c1cccc2nccn12 257254076 KBLOCHHOFSVCMC-ZDUSSCGKSA-N 312.398 3.077 0 40 DGAB Cc1ccc2[nH]c(C(=O)NCc3cn(C4CCC4)nn3)cc2c1C 585126549 BSSHXLPTCMJVRQ-UHFFFAOYSA-N 323.400 3.031 0 40 DGAB Cc1ccnc([C@@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 257316467 VFTCQWSQHMEZGM-GOSISDBHSA-N 322.456 3.375 0 40 DGAB CCC1(C(=O)Nc2nc3cccc(Cl)c3n2C)CCOCC1 274357150 UQRLVNYKAFLEQB-UHFFFAOYSA-N 321.808 3.372 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2ccoc2)cc1 90612889 NTRDKDGTWOGGGR-INIZCTEOSA-N 301.386 3.431 0 40 DGAB CCOC(=O)c1ccc(C(=O)C(Cl)(Cl)Cl)s1 390566236 LSEQNPRJPGJETO-UHFFFAOYSA-N 301.578 3.478 0 40 DGAB CCCCCCOc1ccc(-c2nnc3n2CCOC3)cc1 849121386 WSAKTAUDYVOALA-UHFFFAOYSA-N 301.390 3.434 0 40 DGAB Cc1nnc(SC/C=C/CSc2nnc(C)s2)s1 69919704 WXZQBCLREPCOFI-ONEGZZNKSA-N 316.502 3.447 0 40 DGAB CCN(CC)C(=O)CCCC(=O)Nc1ccc(Cl)cc1F 71185377 STCMUEIDGYCYOU-UHFFFAOYSA-N 314.788 3.456 0 40 DGAB C[C@@H](O)C[C@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 79104855 VVMFUTWHXLGZJY-IUODEOHRSA-N 319.351 3.249 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Cl)cc1Br 1083806943 BXSZMGPJPHCSQR-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB O=C(Cn1c(-c2ccc(F)cc2)cc2cccnc21)N1CCCC1 12144001 SHYQZLNPRWACGG-UHFFFAOYSA-N 323.371 3.465 0 40 DGAB Cc1cnc(-c2nc(NC3CC3)ncc2-c2onc(C)c2C)cn1 12156319 BARQVHFIYQBJLP-UHFFFAOYSA-N 322.372 3.088 0 40 DGAB Cc1ccc2[nH]c(=O)c(CNCCc3ccccc3C)cc2c1 12468805 VTRLXJJDMLXYBY-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N2CCCc3ccccc32)cc1 16022944 LWWBDBCENSIWIH-JLHYYAGUSA-N 321.376 3.466 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169356075 LXKDCMXDCMYIEL-BQGCOEIASA-N 311.381 3.177 0 40 DGAB CC[C@@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1C 2706248 VJBTVBOVZJEGRH-LLVKDONJSA-N 323.491 3.405 0 40 DGAB O=C(O)CSc1nccn1-c1ccc(C(F)(F)F)cc1 20582045 ITJJRLXQVPKGPX-UHFFFAOYSA-N 302.277 3.068 0 40 DGAB in-vitro COc1ccc(CC(=O)NCC2(c3ccccc3)CCC2)cc1 11178511 QUHBOEYQUJMODI-UHFFFAOYSA-N 309.409 3.476 0 40 DGAB O=C(Nc1cccc(OC(F)F)c1)c1ncnc2c1CCCC2 1888863824 ACJFCBRHMCUMTM-UHFFFAOYSA-N 319.311 3.209 0 40 DGAB O=C(CC1CC1)NC[C@@H](O)c1ccc(-c2cccs2)cc1 1888918054 KDGCOVJSKRPPFW-OAHLLOKOSA-N 301.411 3.365 0 40 DGAB Cc1cnc(N2CCC(COc3ncccc3C)CC2)s1 1889103110 PFTPAMXHPPLPAY-UHFFFAOYSA-N 303.431 3.450 0 40 DGAB C[C@H](Sc1nncn1C1CC1)c1nc(-c2ccco2)no1 29740443 GOBCZJPRNJOWAN-QMMMGPOBSA-N 303.347 3.109 0 40 DGAB COc1ccc(NCc2cc(Cl)c3c(c2)OCCO3)cn1 37324535 IAPQSLGBOHYVQS-UHFFFAOYSA-N 306.749 3.127 0 40 DGAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)Nc1ccc(F)c(F)c1 40105497 GMMFLFPYJXFBGZ-RYUDHWBXSA-N 311.376 3.349 0 40 DGAB CC(=O)[C@@H](C)n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 20157864 LNFLZOSTSSPKQG-RKDXNWHRSA-N 304.415 3.041 0 40 DGAB CCn1nnnc1SCc1c(C)cc(C)c(C(C)=O)c1C 30970853 HEYLJMYTTZJGSL-UHFFFAOYSA-N 304.419 3.113 0 40 DGAB COc1cc2ccc(=O)oc2c(OC(C)=O)c1OCC=C(C)C 113351 HLWOANLPPGWSTM-UHFFFAOYSA-N 318.325 3.072 0 40 DGAB biogenic COC(=O)c1ccccc1Nc1cc(CC(=O)O)ccc1Cl 1857793652 VBFVRRYCQPTAPL-UHFFFAOYSA-N 319.744 3.497 0 40 DGAB C[C@@H]1CCc2c(sc3nnn(Cc4ccccc4)c(=O)c23)C1 148764 XAEUMHBDOPVLAI-LLVKDONJSA-N 311.410 3.026 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2ccccc2)cc(OC)c1OC 162993 PLMRSRWQUODTEQ-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB COc1ccc(C(=O)NCC23CC4CC(CC(C4)C2)C3)cn1 16699746 ZYWBIAFAORERPF-UHFFFAOYSA-N 300.402 3.036 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@H]2C(=O)NC2CCCC2)c1 1341882 BDZDSDRDHZHQGU-INIZCTEOSA-N 315.417 3.050 0 40 DGAB COc1ccc(NCc2cc(OC)c(OC)c(OC)c2)cc1 1511311 VZXKFUZYRHTORS-UHFFFAOYSA-N 303.358 3.333 0 40 DGAB Cc1cc(NC(=O)C2CC2)ncc1NC(=O)CCc1ccccc1 4858344 VAAYVCJZGBUSMO-UHFFFAOYSA-N 323.396 3.310 0 40 DGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](CCc2ccccc2)N1 352629 UKEVAKNXUXYFDV-QZTJIDSGSA-N 320.392 3.441 0 40 DGAB biogenic CCOc1ccc(CNCc2ccc(OC)cc2)cc1OC 7538510 KGQCUWKQRPXBEH-UHFFFAOYSA-N 301.386 3.392 0 40 DGAB COc1cccc(NC(=S)NCCOc2ccc(C)cc2)c1 7582730 ZUWCHEJYYFCPNM-UHFFFAOYSA-N 316.426 3.369 0 40 DGAB Cc1ccc(NC(=S)NC[C@H]2CCCN(C)C2)c(Cl)c1 9876218 QAUCCRUIZWRLFG-GFCCVEGCSA-N 311.882 3.277 0 40 DGAB NC(=O)c1sc2nc(-c3ccco3)c3c(c2c1N)CCCC3 521075 PDBYGPNKFXDMOD-UHFFFAOYSA-N 313.382 3.116 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)n2cccc/c2=N\C(C)C)cc1 41868130 OXSZWQQBXHRRKJ-ABMJUWQSSA-N 323.396 3.109 0 40 DGAB CC(C)CNC(=O)c1cc(Br)ccc1OC(F)F 2793523 HKHOBZKVTROLRF-UHFFFAOYSA-N 322.149 3.436 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NC1CCCC1 8284356 VLJUIWVHWUTEHN-UHFFFAOYSA-N 311.429 3.481 0 40 DGAB Fc1cc(Br)ccc1OCCC1CCNCC1 42773592 PIDOYQDQSOHBAO-UHFFFAOYSA-N 302.187 3.357 0 40 DGAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1S 42852876 QSSABJHBJRORMR-BDAKNGLRSA-N 304.337 3.221 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](c2nccs2)C1 171646837 CZPFIARFKYBPLN-ZDUSSCGKSA-N 319.430 3.087 0 40 DGAB COc1ccc(OC)c(NC(=S)NCCc2ccccc2)c1 1410835 XGVRTQXQEBWYBN-UHFFFAOYSA-N 316.426 3.233 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)NCCc1cn2ccccc2n1 26287168 KHTSELKPIMTWAT-OAHLLOKOSA-N 322.412 3.279 0 40 DGAB O=C(NCc1ccoc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 57188295 YBHKLXKPQXUWND-HZPDHXFCSA-N 318.348 3.138 0 40 DGAB C[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cnn(C)c1 27919579 GAYUXPQXGAQQGV-OAHLLOKOSA-N 319.408 3.429 0 40 DGAB COc1cc([C@@H](C)NC(=O)C2CC2)ccc1OCC(F)(F)F 27352442 VIGDOEZPAMDMCS-SECBINFHSA-N 317.307 3.224 0 40 DGAB O=C(NCc1cccnc1N1CCCCC1)c1ccccc1F 58282756 TUGPLFWSHSPTJR-UHFFFAOYSA-N 313.376 3.141 0 40 DGAB CCOCCCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58308792 LTSVYNPWKOYZTM-CQSZACIVSA-N 324.852 3.099 0 40 DGAB CN(C)c1ccc(NC(=O)c2csc(-c3ccco3)n2)nc1 58406517 AIKKVACBZKKHDH-UHFFFAOYSA-N 314.370 3.116 0 40 DGAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)c1ccco1 36359944 DGTOWYCYCXCZFY-UHFFFAOYSA-N 321.292 3.441 0 40 DGAB O=C(CC1CCCC1)Nc1ccc(S(=O)(=O)C(F)F)cc1 3338520 WLRCTNJTURSUII-UHFFFAOYSA-N 317.357 3.202 0 40 DGAB CCOc1ccccc1NC(=O)CN[C@H](C)c1cccs1 12750551 TUIVAXVFZDAMFH-GFCCVEGCSA-N 304.415 3.436 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)NCc1nc(C)cs1 48333657 IRZADTUKVUOIGZ-GFCCVEGCSA-N 319.430 3.329 0 40 DGAB COc1ccc2c(CC(=O)Nc3ncc(C)s3)coc2c1 3427966 WXGRKEASCLMXFS-UHFFFAOYSA-N 302.355 3.388 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCCNC(=O)c1ccsc1 12997642 KOZQBQUKFKSIJB-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)N3CCCCC3)c12 12917821 NDMKCOLODSYEQI-UHFFFAOYSA-N 300.406 3.026 0 40 DGAB Cc1ccc(C)c(SCC(=O)NC(=O)NC2CCCC2)c1 3523051 RUNBSVCSRBAJLE-UHFFFAOYSA-N 306.431 3.164 0 40 DGAB COc1ccc([S@@](=O)Nc2ccc(Cl)cc2)c(OC)c1 3855899 YISCIIGNNDSGBB-FQEVSTJZSA-N 311.790 3.492 0 40 DGAB O=C([C@@H]1CCOC1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69530115 QIMDHLTXEJYVLV-BXUZGUMPSA-N 313.319 3.405 0 40 DGAB CCc1cccc(NC(=O)N2CCC(C(=O)NC(C)C)CC2)c1 69519638 RURVBWIJZMZGAN-UHFFFAOYSA-N 317.433 3.018 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)CCc1cc(F)ccc1F 69536792 NTLNYBTXHJGFML-UHFFFAOYSA-N 319.355 3.451 0 40 DGAB CC[C@H](NC(C)=O)c1noc(-c2cccc(Br)c2)n1 69597344 BDJNGPCPMJPMRL-NSHDSACASA-N 324.178 3.086 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)N3CCC3)cc12 5173459 MQSJVOFGONTKLR-UHFFFAOYSA-N 315.373 3.380 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65513198 CMTJVRWAZNYJJG-UWVGGRQHSA-N 324.475 3.017 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1ccc(N2CCOC2=O)cc1 65532073 JOHUQCOSZSCKAG-UHFFFAOYSA-N 318.279 3.174 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(F)c1F 65610844 JCBXJBZFKBKUFO-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB COc1cc(CC(=O)NC2CCCCCC2)cc(OC)c1OC 6640029 DEXBZFRIHURINC-UHFFFAOYSA-N 321.417 3.094 0 40 DGAB Cc1c(O)ccc2c(COC(=O)C3CCCC3)cc(=O)oc12 6640046 XLGAQOKQEDRDHB-UHFFFAOYSA-N 302.326 3.040 0 40 DGAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)c1ccco1 27698507 JWEUCYCKXBKRCQ-AYHJJNSGSA-N 324.424 3.248 0 40 DGAB Fc1ccc([C@@H]2CN(Cc3cccnc3)CCO2)cc1Cl 66844893 GIPOROBVNJCRKC-INIZCTEOSA-N 306.768 3.448 0 40 DGAB O=C1CCCC[C@H]1Sc1nc(=O)cc(-c2ccccc2)[nH]1 5819270 PRSDZVZASDQOMI-CQSZACIVSA-N 300.383 3.041 0 40 DGAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(Cl)ccc2O)C1 67145488 DAXVNUXCMZNQDF-LLVKDONJSA-N 324.808 3.023 0 40 DGAB Cc1cc(C)c(NC(=O)CSc2nc(C)cc(N)n2)c(C)c1 7048091 IAKKEGDYVGACLT-UHFFFAOYSA-N 316.430 3.023 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OC[C@@H]2CC2(Cl)Cl)c1C 7043428 BYDINJRQYDMNBK-VIFPVBQESA-N 304.173 3.185 0 40 DGAB Cc1ccc(-c2csc(NC(=O)/C=C/c3cnn(C)c3)n2)o1 15517028 DLEXUCPZHFQMJS-GQCTYLIASA-N 314.370 3.097 0 40 DGAB Cc1nc(CNC(=O)COc2ccc(C(C)(C)C)cc2)cs1 15832238 DSQBVNVWXWHUQW-UHFFFAOYSA-N 318.442 3.444 0 40 DGAB O=C(CCn1ccc2ccccc21)NCc1ccc2c(c1)OCO2 7911762 YDOKOABJTKHOIY-UHFFFAOYSA-N 322.364 3.077 0 40 DGAB O=C(NCCCOC[C@H]1CCCO1)Nc1cccc(Cl)c1 8942256 ZEFUVYOZUSSOPD-CQSZACIVSA-N 312.797 3.047 0 40 DGAB O=C(O)C1(c2ccc(OCc3ccccc3)cc2)CCOCC1 71372290 FYJYTASNASJXAD-UHFFFAOYSA-N 312.365 3.398 0 40 DGAB in-vitro CCN(C(=O)CSc1nc(C(C)C)n[nH]1)C1CCCCC1 9457249 SKTVKNBGFASYEE-UHFFFAOYSA-N 310.467 3.201 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)c1 71793288 CSMQXTFRIGRAMT-MJGOQNOKSA-N 323.392 3.362 0 40 DGAB CCOCc1cc(C(=O)Nc2nc(C)cs2)ccc1OC 9578367 RXIGSAYODXZWHV-UHFFFAOYSA-N 306.387 3.249 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)sc1C 72297483 FMAWZVZWDKPHEW-HNNXBMFYSA-N 315.442 3.104 0 40 DGAB CCCc1nnc(NCc2c[nH]nc2-c2ccccc2F)o1 97045407 WUIKCRGGYJIPBK-UHFFFAOYSA-N 301.325 3.163 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 97035906 SFKVXILLGUNWRQ-CHWSQXEVSA-N 319.382 3.076 0 40 DGAB Cc1nnc(CCC[S@](=O)Cc2cccc3ccccc23)o1 97144273 OBUZBBDCDXTUPH-JOCHJYFZSA-N 314.410 3.413 0 40 DGAB c1ccc(-c2cc3c(NCc4cn[nH]n4)ncnc3s2)cc1 72312222 XUKWTMVOAUHMEG-UHFFFAOYSA-N 308.370 3.089 0 40 DGAB CC(C)n1c(SCC(=O)O)nnc1-c1ccc(Cl)cc1 72328116 WTJWZLDZRLMSDR-UHFFFAOYSA-N 311.794 3.356 0 40 DGAB CCCCc1nc(-c2nccn2Cc2ccc(CN)cc2)c[nH]1 72463253 AGYLVNWZUOLYDV-UHFFFAOYSA-N 309.417 3.123 0 40 DGAB CCc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1 76057830 MXTPKQDZTBAJJU-CRAIPNDOSA-N 302.462 3.232 0 40 DGAB CCc1nnc(CN2CCCN(C)c3ccc(Cl)cc32)o1 76040279 IFVISETUIIRHIA-UHFFFAOYSA-N 306.797 3.132 0 40 DGAB CC(C)c1noc(N[C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 84631146 VLRCBPANEGNEOX-NEPJUHHUSA-N 324.425 3.298 0 40 DGAB Cc1nc2ccc(N(C)C(=O)Cc3ccc(F)c(F)c3)cc2[nH]1 95430412 KQVSXHFKOSLWOX-UHFFFAOYSA-N 315.323 3.355 0 40 DGAB C[C@@H](C(=O)N(C)[C@@H](C)c1cnn(C)c1)c1ccc(Cl)s1 95464434 RNCCZOPFKOEUOA-ZJUUUORDSA-N 311.838 3.458 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)NC(=O)c1coc(Br)c1 95427629 KIPSJTPBAFCGNZ-VIFPVBQESA-N 324.174 3.109 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)C(C3CC3)C3CC3)c2)o1 73187991 GBSIBKMAOHQDMQ-UHFFFAOYSA-N 311.385 3.306 0 40 DGAB CC(C)CCS(=O)(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 78775461 DWASHHDIPXEUQC-QGZVFWFLSA-N 324.490 3.265 0 40 DGAB CCN(C)c1ccc(-c2noc([C@@H]3CCCc4[nH]ncc43)n2)cc1 95966470 WIYHHRHPKNOJFT-CQSZACIVSA-N 323.400 3.384 0 40 DGAB Cc1ccc(CN(C)C(=O)[C@@H]2CCN(C3CCCCC3)C2)o1 75093388 MCKBQIMHNHAMGD-OAHLLOKOSA-N 304.434 3.201 0 40 DGAB OC(CNCc1ccccn1)(c1ccccc1)c1ccccc1 20219098 FEQLLWUHJWIXQN-UHFFFAOYSA-N 304.393 3.107 0 40 DGAB C[C@@H]1c2cccn2CCN1Cc1nc(-c2ccc(F)cc2)no1 21579397 QRNQYUHZYHPJPP-GFCCVEGCSA-N 312.348 3.254 0 40 DGAB CC(C)N1CC[C@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 72352558 WVOFRTHJJPNJRE-LBPRGKRZSA-N 317.458 3.196 0 40 DGAB CCCCS[C@@H](C)C(=O)Nc1cccc(C[S@](C)=O)c1 79360795 YDZMVFRMDBVBJH-FKIZINRSSA-N 313.488 3.425 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1cccc(C(F)(F)F)c1)C(C)C 79421054 JRVXOENJMBSXGL-AWEZNQCLSA-N 316.367 3.426 0 40 DGAB CCc1cc(CNC(=O)c2cc(Cl)cc3cccnc23)[nH]n1 79002200 IXCKDEYRRFPGRG-UHFFFAOYSA-N 314.776 3.104 0 40 DGAB Cc1ccc(C(=O)NCCCC(=O)Nc2ccc(F)cc2)cc1 35673164 XAXWYYKELLZHAW-UHFFFAOYSA-N 314.360 3.283 0 40 DGAB O=C(CCc1ccccc1)NC[C@H](O)c1ccccc1Cl 77631235 RSNNKCSNKKXUHK-INIZCTEOSA-N 303.789 3.122 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)s1 39989072 SLALRFWNOKJBJJ-SNVBAGLBSA-N 323.443 3.283 0 40 DGAB COc1cc(C)sc1C(=O)OCc1nccn1C(F)F 73163095 KAVIGAROBSSIQL-UHFFFAOYSA-N 302.302 3.014 0 40 DGAB Cc1cc(C(=O)COC(=O)c2cn(C)c3ccccc23)c(C)[nH]1 36657222 UPVGUBWKQOIMKX-UHFFFAOYSA-N 310.353 3.163 0 40 DGAB CC(C)Oc1cccc(CNC(=O)COc2ccccc2F)c1 46663702 VXERUMQCFMFBMO-UHFFFAOYSA-N 317.360 3.308 0 40 DGAB Cc1cc(CC(=O)N(C)c2ccc(C)c(Br)c2)no1 187351720 KNOMWEKVVCWKHV-UHFFFAOYSA-N 323.190 3.259 0 40 DGAB Cc1ccc(C(C)C)c(OCC(=O)NCCCOC(C)C)c1 42236142 LFSMGNQLMXVECM-UHFFFAOYSA-N 307.434 3.429 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)[C@H]1C[C@H]1c1cccnc1 225597907 ZNXNPCNMGIOPFX-ROUUACIJSA-N 324.424 3.297 0 40 DGAB COC(=O)c1ccc(C(=O)c2cccc(Br)c2)o1 85393772 MPAOXKMIQRXSGC-UHFFFAOYSA-N 309.115 3.060 0 40 DGAB CCn1c(Cl)nc2cc(C(=O)NCc3ccco3)ccc21 225988308 MZQVBNMMNMDKGG-UHFFFAOYSA-N 303.749 3.233 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N2CCc3ccccc3C2)c1 41292802 SRLMBOOQZPJABS-CQSZACIVSA-N 311.381 3.047 0 40 DGAB O=C(C[C@@H]1CCCN1C(=O)/C=C/c1cccnc1)c1ccccc1 85492765 BYDISEYEKZMVGX-ZGKFYVQTSA-N 320.392 3.359 0 40 DGAB CCO[C@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 225900224 IAPHFPBQWHYXCA-YVEFUNNKSA-N 306.406 3.323 0 40 DGAB C[C@@H](NC1CCN(c2nccs2)CC1)c1cccc(O)c1 192035676 OTGHPAUKPIXJHO-GFCCVEGCSA-N 303.431 3.168 0 40 DGAB CC(C)(C)Oc1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1 96435258 RAYZRZRBZLQQPU-CYBMUJFWSA-N 306.406 3.100 0 40 DGAB COc1ccc(NC(=O)Nc2cc(C3CCC3)nn2C)cc1 95418853 YTSDGDYAPSCYCR-UHFFFAOYSA-N 300.362 3.340 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1cccc(N(C)C(C)C)c1 96434809 DHWQWTXYYWTVIW-OAHLLOKOSA-N 305.422 3.174 0 40 DGAB Cc1ncsc1CCS(=O)(=O)[C@H]1CCCc2ccccc21 96450244 QJIHVZYXOSVTPX-INIZCTEOSA-N 321.467 3.486 0 40 DGAB CC(C)(C)OC(=O)Nc1cc(C(F)(F)F)cnc1C(=O)O 95803660 IWMBOGNVBWQNAE-UHFFFAOYSA-N 306.240 3.146 0 40 DGAB CCOC[C@@]12CCCO[C@@H]1CCN(C(=O)CC1=CCCCC1)C2 96039462 LPCFHSDMGIIJBF-MJGOQNOKSA-N 321.461 3.311 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@H](C)C2)nc(N2CCCC2)n1 96101271 DWUMLNPZPRDCPW-AWEZNQCLSA-N 316.449 3.072 0 40 DGAB c1cncc(COC[C@]23CCCO[C@H]2CCN(C2CCC2)C3)c1 96040151 ZBFGURHVZVHBQB-RBUKOAKNSA-N 316.445 3.022 0 40 DGAB COC(=O)[C@]1(C)CCN(C(=O)Nc2cccc(C)c2Cl)C1 96470901 SFAHBRGUMJBPFF-OAHLLOKOSA-N 310.781 3.065 0 40 DGAB Cc1cncc([C@H]2CCCN2CC2=Cc3ccccc3OC2)n1 257294741 QVMVJNWTIPBPMZ-GOSISDBHSA-N 307.397 3.398 0 40 DGAB CC(C)c1nc([C@@H](CO)NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cs1 585127374 YUZTULHKFNHGCB-IGQOVBAYSA-N 322.474 3.242 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)Cc3ccc(C)s3)C2)n1 257219833 DIITWWXBAABEHA-AWEZNQCLSA-N 315.442 3.022 0 40 DGAB O=C(O)[C@@H]1[C@@H]2CCC[C@H]2CN1C(=O)c1ccc2sccc2c1 263300355 DCYJMUKHTFZWLV-GUTXKFCHSA-N 315.394 3.227 0 40 DGAB Cc1n[nH]c2cc(NC(=O)COc3ccc(F)cc3F)ccc12 91825014 KCTFVPYFPRICED-UHFFFAOYSA-N 317.295 3.167 0 40 DGAB COc1ccccc1C1(C(=O)NCc2ccc(C3CC3)nc2)CC1 1565522338 GEEVKLXJGNETON-UHFFFAOYSA-N 322.408 3.316 0 40 DGAB Cc1cccc(-c2nn3c(O)cc(-c4cnccn4)nc3c2C)c1 19235283 CKCUXVBAPXOQTH-UHFFFAOYSA-N 317.352 3.176 0 40 DGAB Cc1cnc2c(ccn2S(=O)(=O)c2ccccc2)c1Cl 205545737 RWVCGVAIDBLDEM-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB CCOc1ccc2c(c1)nnn2C(=O)CSc1ccccc1 226359605 OBBXEBJIZWOXIS-UHFFFAOYSA-N 313.382 3.263 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)[C@H]1CCCO1 35239071 PLSMVYFZZKJAOZ-IINYFYTJSA-N 304.777 3.186 0 40 DGAB O=C(COc1ccc2c(c1)C(=O)CC2)NCCC1=CCCCC1 36708231 WZJRQNIXQMTKPX-UHFFFAOYSA-N 313.397 3.201 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3ccc(F)c(F)c3)CC[C@@]1(C)C(=O)O2 1432748 XEUMLZTUWZTMIW-JKSUJKDBSA-N 309.312 3.025 0 40 DGAB COc1cc(OC)cc(-c2nnc3c4cc(F)ccc4ncn23)c1 8990470 UYZLPUTVFINDEG-UHFFFAOYSA-N 324.315 3.101 0 40 DGAB O=c1c2ccccc2nc(O)n1-c1cc(Cl)cc(Cl)c1 15424771 ORXGNQYJSBESIY-UHFFFAOYSA-N 307.136 3.398 0 40 DGAB CCOc1ccc(-c2cc3c(=O)n(CC4CCC4)ccn3n2)cc1 1775968419 NFTLDUUYKDBRMK-UHFFFAOYSA-N 323.396 3.362 0 40 DGAB CC1=C[C@H](C)[C@@]2(CO)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 228813 SCKWFJBWUFTIAS-ZGXYDKCCSA-N 316.397 3.314 0 40 DGAB biogenic CC[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1 30028519 FQNGUMYNEZOGCC-CQSZACIVSA-N 320.392 3.452 0 40 DGAB c1ccc(Cc2noc(CN3CCc4ccccc4C3)n2)cc1 40118745 CCTWLVBMUBTGFM-UHFFFAOYSA-N 305.381 3.219 0 40 DGAB CC(=O)c1sc(NC(=O)COc2ccc(C)c(C)c2)nc1C 148480 NOCVROFZKWLYQK-UHFFFAOYSA-N 318.398 3.288 0 40 DGAB Cc1csc(NC(=O)c2cc(F)cc3[nH]c(=S)[nH]c23)n1 40555983 COQJJQILZDXLDI-UHFFFAOYSA-N 308.363 3.382 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 1934041 ZYHQMPXUEQLPCN-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(C)CCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29310624 FZVONJAFSZZLGL-UHFFFAOYSA-N 318.826 3.086 0 40 DGAB C[C@]12C[C@H](O)[C@@]3(F)[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 4026891 XLODFPCYPIRCNC-BDUCUMRISA-N 324.436 3.022 0 40 DGAB biogenic N=c1sccn1CC(=O)Nc1ccccc1-c1ccccc1 101273345 INBPJNIOVPVSKR-UHFFFAOYSA-N 309.394 3.335 0 40 DGAB CCOc1ccc(NC(=O)c2cc(OC)cc(OC)c2)cc1 348191 YJMXMRUIMUDWHX-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB CC(C)(C)c1cc(NC(=O)CN2CCCc3ccccc32)on1 7115096 GBXNSMVNKHUWNX-UHFFFAOYSA-N 313.401 3.363 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 7685403 TUIPCYJEBKCADN-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB Cc1ccccc1CCNC(=O)N[C@@H](C)CCc1ccco1 32779699 ZQFFHAWKLIKESP-HNNXBMFYSA-N 300.402 3.451 0 40 DGAB CC(C)(C)c1ccc2cc(C(=O)NC3=NCCS3)[nH]c2c1 29794925 GHSCFHVUTKBJRW-UHFFFAOYSA-N 301.415 3.298 0 40 DGAB CCCCNC(=O)CSCc1cc(Cl)c2c(c1)OCO2 32854192 AXFLTRLBSBLQLP-UHFFFAOYSA-N 315.822 3.218 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@H]2Cc2ccc(F)cc2)n(C)n1 52797571 YHPFCFVKCDDWMM-HNNXBMFYSA-N 316.380 3.107 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)cc1C 9232172 DOLDQPFKPQFDPY-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)cc1F 9993253 DRLQTNNYPFYTIZ-UHFFFAOYSA-N 324.783 3.424 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)NCCC2=CCCCC2)cc1 22651549 VXROZGBLYMAJAJ-FMIVXFBMSA-N 313.397 3.493 0 40 DGAB C[C@@]12CCC[C@H]1[C@H]1[C@H](C(=O)C2)[C@@]2(C)CCC(=O)C[C@@H]2C[C@H]1O 118930007 OWSDKGMPDGHRFF-NDZJQXTMSA-N 304.430 3.138 0 40 DGAB COc1ccc(CCC(=O)Nc2nnc(C3CCC3)s2)cc1 61719005 TXMXZHAPKSLURK-UHFFFAOYSA-N 317.414 3.386 0 40 DGAB Cc1ccc(CC(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12559934 MBUZTSHFYPPSHQ-LJQANCHMSA-N 319.408 3.177 0 40 DGAB O=C(OCC(F)(F)F)c1cnn2c(-c3ccccc3)ccnc12 56216540 MKYITNZDTLVVCM-UHFFFAOYSA-N 321.258 3.115 0 40 DGAB C[C@H]1CN(Cc2csc(Nc3ccccc3)n2)C[C@H](C)O1 24529040 ALTOSZLWPBXEHC-STQMWFEESA-N 303.431 3.496 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8140562 YZSURAFQNQHSNH-PBHICJAKSA-N 314.429 3.051 0 40 DGAB C[C@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F 58296083 CPFVQKIUZAHGBO-RYUDHWBXSA-N 324.350 3.294 0 40 DGAB CC(C)(C)NC(=O)/C(=C/c1ccco1)NC(=O)c1cccs1 2267389 ACUMEZAMYCITJQ-BENRWUELSA-N 318.398 3.027 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cccc(Nc2ncccn2)c1 28027747 DEICKKBRTVCOBN-UHFFFAOYSA-N 322.343 3.289 0 40 DGAB COCc1nc(C(=O)N2CC[C@H](C)c3ccccc32)cs1 58405690 NGTNGZLURXXGHT-NSHDSACASA-N 302.399 3.444 0 40 DGAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1ccccc1 12769135 JZXVUTXHXFQSPC-UHFFFAOYSA-N 307.337 3.086 0 40 DGAB CC(C)NC(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 70009893 ACMNZBXQSBRUCQ-MRXNPFEDSA-N 301.365 3.360 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C)cc2)c1C 3587665 LSVDVJQMHUCMJF-UHFFFAOYSA-N 313.353 3.182 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCCc1coc(-c2ccc(F)cc2)n1 69462679 NMVLQDQOMAFHOJ-CYBMUJFWSA-N 314.360 3.496 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)c1csnn1 64536770 BMYDGZZNEFPYON-UHFFFAOYSA-N 315.370 3.125 0 40 DGAB CS[C@H](C)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 65553239 GMVYQKDCUNYUMJ-CYBMUJFWSA-N 318.442 3.484 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C)cc1 113951143 ONDOLPWDSNQPJA-GOSISDBHSA-N 313.397 3.477 0 40 DGAB CCc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 8715149 JHRRFQFPGURZGG-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C 6787552 YWWOLPZOUCIVNW-MVWJERBFSA-N 317.355 3.466 0 40 DGAB COc1ccc(C)cc1C(=O)N1CCC[C@@H](c2nccs2)C1 67048856 XDUFVGDEHWYXAU-CYBMUJFWSA-N 316.426 3.480 0 40 DGAB Cc1c(F)cccc1-n1nnc(C(=O)NC2CCCCC2)c1C 67264034 UXIZIBVYJMPZPZ-UHFFFAOYSA-N 316.380 3.086 0 40 DGAB CC(C)N(CCNC(=O)c1ccc2ncsc2c1)C(C)C 9155785 YRTPCQROTHBXPH-UHFFFAOYSA-N 305.447 3.145 0 40 DGAB Cc1nc(CNC(=O)N[C@@H](c2ccccc2C)C(C)(C)C)no1 80152297 ZWIORDNBCVTOFG-HNNXBMFYSA-N 316.405 3.273 0 40 DGAB COc1ccc(-c2ccc(CNCc3nccn3C)s2)cc1 80250008 AZBMOJZSFZAHEH-UHFFFAOYSA-N 313.426 3.447 0 40 DGAB CC(C)c1nnc(NC(=O)c2cc(=O)c3ccccc3o2)s1 8972175 HEOZAZIEZLGVTD-UHFFFAOYSA-N 315.354 3.020 0 40 DGAB CCNC(=O)[C@@H](C)N1CCC(c2nc3ccccc3s2)CC1 9364598 PDHXFCWNGKFFFO-GFCCVEGCSA-N 317.458 3.000 0 40 DGAB Cc1cnc(CCN(C)Cc2cnc3c(C)cccn23)s1 93807288 VSYDKMPLHMWJCQ-UHFFFAOYSA-N 300.431 3.082 0 40 DGAB Cc1ccc(CNC(=O)N(Cc2ccccc2F)C2CC2)cn1 71793571 GVBRXTHGSOMEDS-UHFFFAOYSA-N 313.376 3.403 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)s1 71893570 VFXCWRURJOZTKR-JTQLQIEISA-N 312.435 3.042 0 40 DGAB Cc1nc2n(n1)C[C@H](Nc1ccnc3cc(Cl)ccc13)CC2 71874976 NAYWBOXWTLULKC-GFCCVEGCSA-N 313.792 3.215 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 71828044 KCXMUROFPTZZOK-UONOGXRCSA-N 303.431 3.486 0 40 DGAB FC(F)(F)c1ccccc1N1C=Cc2c(cnc3ncnn23)C1 19959462 YJRRNORWVIVLFY-UHFFFAOYSA-N 317.274 3.134 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1nc2ccccc2n1CC 72298460 YRVLDWNWZCTBNM-OAHLLOKOSA-N 323.444 3.440 0 40 DGAB CO[C@@H](C)CCC(=O)Nc1cc(C)cc(Br)c1O 97083333 LPFSWIIZSCVRHP-VIFPVBQESA-N 316.195 3.217 0 40 DGAB C[C@@H](NC(=O)N[C@H](c1ccccc1)C1CCCC1)c1nc[nH]n1 97049222 RAJKCLHKEBMCMQ-IUODEOHRSA-N 313.405 3.096 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2Cc2cn3ccsc3n2)no1 72318935 VXYWECYTWRNFQC-LBPRGKRZSA-N 317.418 3.239 0 40 DGAB Cc1cc(NC(=O)[C@H](NCc2ccco2)c2ccccc2)no1 97495042 IVYQLFCVXZAJNX-MRXNPFEDSA-N 311.341 3.046 0 40 DGAB CC(C)n1cnc2cc(C(=O)NCc3ccccc3CO)ccc21 76082939 XCBWAVGBFLNEDU-UHFFFAOYSA-N 323.396 3.040 0 40 DGAB CC[C@H]1CCc2c(sc(=O)n2Cc2nccn2C(F)F)C1 84735498 MVWODBDLLGTLSI-VIFPVBQESA-N 313.373 3.065 0 40 DGAB O=C(O)CCN(CC1CC1)C(=O)c1cccc(C(F)(F)F)c1 95424470 BQKUIBDSFYOEKF-UHFFFAOYSA-N 315.291 3.032 0 40 DGAB Cc1oc(C)c(C(=O)OCCOc2ccnc(Cl)c2)c1C 95444270 WUHNYIUYGNXAQF-UHFFFAOYSA-N 309.749 3.489 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)CC(=O)c2cccs2)cc1 95435183 FMHXNPPJTJZZIP-NSHDSACASA-N 303.383 3.148 0 40 DGAB CCOC[C@@H]1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)C1 95980878 YHNPYLGPZNAWJK-DYVFJYSZSA-N 320.408 3.271 0 40 DGAB CSc1c[nH]nc1NC(=O)[C@@H](C)Oc1cccc(Cl)c1 95964491 SLXSIYKPUUCUAE-MRVPVSSYSA-N 311.794 3.191 0 40 DGAB CC(C)c1nccc(N2CCC(c3nncn3C(C)C)CC2)n1 95994774 KXVQYYCQHUSDQL-UHFFFAOYSA-N 314.437 3.156 0 40 DGAB CC(C)n1nnnc1CN[C@@H](C)c1ccccc1C(F)(F)F 95985442 UCRKRTDCZUDJCC-JTQLQIEISA-N 313.327 3.124 0 40 DGAB CC(C)CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CC1 78757905 NMYDLPNWIYPUQG-UHFFFAOYSA-N 324.465 3.281 0 40 DGAB COc1ccccc1[C@@H](C)SCC(=O)Nc1c(C)n[nH]c1C 89522892 DVTHRAHCLQTKTQ-GFCCVEGCSA-N 319.430 3.468 0 40 DGAB CCn1cc(C(=O)NC2CCCC2)c(=O)c2cc(Cl)ccc21 22234827 ZLNZLTUPWRQMAQ-UHFFFAOYSA-N 318.804 3.347 0 40 DGAB Cc1cc2c(cc1C)C1=NCCN[C@H]1[C@H](c1ccccc1)C2=O 67300085 DNTHAEXKKZSWHX-HKUYNNGSSA-N 304.393 3.044 0 40 DGAB CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@@H]1C(F)(F)F 124681702 YBKBBHISSVQQFZ-NWDGAFQWSA-N 304.360 3.145 0 40 DGAB CN(C)CCCNc1ncc(-c2ccco2)c(-c2ccco2)n1 72396570 WOWGDNRAXCCEOB-UHFFFAOYSA-N 312.373 3.360 0 40 DGAB COCCOc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 32915017 YGFKXPXMOANYLD-UHFFFAOYSA-N 304.371 3.022 0 40 DGAB O=C(O)[C@@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 37973286 UJRAVMPRKYCLAV-QMMMGPOBSA-N 302.079 3.271 0 40 DGAB CN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(Cl)cc1 48959528 QXXBVLXFCHHDKB-UHFFFAOYSA-N 317.744 3.443 0 40 DGAB COc1ccc(Cn2nccc2NC(=O)C[C@@H]2C=CCC2)cc1 40090645 HWGKSBAKWXENNQ-CQSZACIVSA-N 311.385 3.235 0 40 DGAB CCCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C 41096861 ZEZPQDBJRZZWTJ-UHFFFAOYSA-N 311.447 3.204 0 40 DGAB CCCNC(=O)[C@H](c1ccccc1)N(Cc1ccccc1)C(C)=O 223332940 HLVHMOQXGSHDOF-IBGZPJMESA-N 324.424 3.303 0 40 DGAB O=Cc1ccccc1OCc1nc(-c2c(F)cccc2F)no1 89262871 RHQSJTCCOWRESG-UHFFFAOYSA-N 316.263 3.406 0 40 DGAB C[C@H](NC[C@@H](O)c1ccc(F)cc1)[C@@H]1COc2ccccc21 195561465 DNPANLOIBCNKEY-AFAVFJNCSA-N 301.361 3.013 0 40 DGAB COC[C@H](NC(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1 193534261 KMVJQSSPOUBUIC-CABCVRRESA-N 311.809 3.103 0 40 DGAB COc1ccc(Br)cc1CCC(=O)N1CCCC1 96416857 DBPAVKJDQSVLLA-UHFFFAOYSA-N 312.207 3.013 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1nc(C)c(C)o1 96454218 QSJJVYDUTGYFAL-CQSZACIVSA-N 302.374 3.074 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2cccs2)c1 96409109 FFEFOOCGHMITEU-SNVBAGLBSA-N 320.439 3.227 0 40 DGAB CSC[C@@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96432071 JUYRAROOJIIQRL-OLZOCXBDSA-N 303.431 3.049 0 40 DGAB CC(=O)c1c(C)nc(C)nc1SCc1ccnc(N(C)C)c1 97377183 FNKSMMFCNKVNMH-UHFFFAOYSA-N 316.430 3.049 0 40 DGAB CC(C)n1nnnc1CN[C@@H](C)c1ccc(-c2cccnc2)cc1 96492246 ADJAGKNUKGOZPR-AWEZNQCLSA-N 322.416 3.167 0 40 DGAB COc1ccc2[nH]cc(C(=O)N3CCC[C@@H]3c3nc(C)c[nH]3)c2c1 257312655 UOZNOFCCJMIQLX-MRXNPFEDSA-N 324.384 3.185 0 40 DGAB C[C@@H]1CC[C@H](NCCCc2nnc3n2CCCCC3)C[C@H]1C 253370228 NZESBEXDLJZPLV-OAGGEKHMSA-N 304.482 3.351 0 40 DGAB Cn1nccc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 257344180 ZWBPORIEGNZOAD-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB CC(C)c1nn(C)cc1NC(=O)N(C)C[C@@H](C)c1nccs1 280653843 CMEDFPCMNZWMNA-LLVKDONJSA-N 321.450 3.267 0 40 DGAB CCc1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@H](CO)C3)cc1CC 585101484 YKBBJTWNEPBFDY-OWQGQXMQSA-N 316.445 3.436 0 40 DGAB CO[C@@H]1CCN(C(=O)C2CC(C)C2)C[C@H]1Cc1ccccc1 585113437 GXMSGFBRUMECLH-XAWIXRBMSA-N 301.430 3.139 0 40 DGAB CCC(=O)Nc1ccc(O)c(C(=O)N(C)c2ccc(F)cc2)c1 95974544 NJOBVTJFPWVILG-UHFFFAOYSA-N 316.332 3.156 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2nccs2)C1 585320734 PXJNPZVUIZXOKC-SNVBAGLBSA-N 323.805 3.482 0 40 DGAB COc1cccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)c1 430025 HXVZCEVQDGRMKW-RVDMUPIBSA-N 309.321 3.048 0 40 DGAB O=C(Nc1ccc2c(c1)N1CCN=C1S2)NC1CCCCC1 5616502 ANGZGANIKNODMG-UHFFFAOYSA-N 316.430 3.423 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)C(=O)C[C@H]12 11612562 HYTUXCLDWATLGA-RFLLJTPXSA-N 300.398 3.091 0 40 DGAB biogenic Sc1nnc(-c2cccnc2)n1-c1cccc2ncccc12 13552751 YFYGFJAPKGQDQP-UHFFFAOYSA-N 305.366 3.166 0 40 DGAB CN(C)CCCN(Cc1ccccn1)Cc1cccc(F)c1F 13990770 ZRLZFWTXIZZQNA-UHFFFAOYSA-N 319.399 3.314 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1ccc2nc(C3CC3)cn2n1 1888904173 JEOOLBJSPORUCX-UHFFFAOYSA-N 314.295 3.137 0 40 DGAB CC(=O)N1CCC(Cc2cccc(Nc3nccs3)n2)CC1 2037834664 ATGDLFPGJVIXJV-UHFFFAOYSA-N 316.430 3.083 0 40 DGAB CCOCCn1/c(=N/C(=O)C2CC2)sc2cc(Cl)ccc21 100873367 OHRQNILYFCHNRA-ICFOKQHNSA-N 324.833 3.230 0 40 DGAB CCn1cnc2c(N3CCC(Cc4ccccc4)CC3)ncnc21 599435255 LTZUKZUPBSMAKZ-UHFFFAOYSA-N 321.428 3.305 0 40 DGAB CC(C)C[C@@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 5390646 QZXAROQUSHNWRL-NSHDSACASA-N 300.280 3.176 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN2C(=O)C(C)(C)C)c1 51911 YQDIGNSHZYGLSY-OAHLLOKOSA-N 302.418 3.279 0 40 DGAB FC(F)(F)c1ccnc(NCCN2CCCc3ccccc32)n1 40155539 DOASHQIFCKCYLT-UHFFFAOYSA-N 322.334 3.360 0 40 DGAB Cc1cc2c(cc1C)N[C@@H](CC(=O)Nc1ccccc1)C(=O)N2 65851 FWXVPJVUIDTIHJ-INIZCTEOSA-N 309.369 3.065 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1c(F)cccc1F 7709466 ZWOCMXJGOLXDPT-UHFFFAOYSA-N 320.320 3.314 0 40 DGAB Cc1ccc(CNC(=O)c2ccccc2N2CCCC2=O)cc1 7808053 WRETZUAESHNOTI-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc2ccccc2[nH]c1=O 11660832 XNEPCGNFVJJVQN-UHFFFAOYSA-N 312.756 3.112 0 40 DGAB C[C@@H](NCCC1=CCOCC1)c1occc1Br 90809456 NTYWCNIQYDKRBH-SNVBAGLBSA-N 300.196 3.430 0 40 DGAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccccc1Cl 40525410 ATRJMZWFLSXVQH-AWEZNQCLSA-N 320.776 3.204 0 40 DGAB Cc1ccc(NC(=O)N2CCN(c3nccs3)CC2)c(C)c1 40525375 FIWPYCZAOSDPEF-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB c1ccc(C2(c3ccccc3)OC[C@H]([C@H]3CCCCN3)O2)cc1 3080604 HGKAMARNFGKMLC-RTBURBONSA-N 309.409 3.445 0 40 DGAB in-man CSc1nnc(C)n1NC(=O)/C=C/c1ccc(C(C)C)cc1 6861480 XZCAFUOQKZOFJG-JXMROGBWSA-N 316.430 3.215 0 40 DGAB Fc1ccc(N2CCN(c3ncnc4ccccc34)CC2)cc1 32540769 HXJUKZAKSOMFFP-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB Cc1nc(CSc2nccn2Cc2ccccn2)cs1 71903290 JPSXOKHKXNMZHU-UHFFFAOYSA-N 302.428 3.384 0 40 DGAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCc1cccs1 100466984 LDSTYEMLHGTVDP-GDZNZVCISA-N 306.475 3.169 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)Cc1c(F)cccc1Cl 46408060 AOXDVLNDGKFECM-UHFFFAOYSA-N 310.756 3.285 0 40 DGAB C[C@@H](Nc1cccc(NC(=O)CO)c1)c1c(F)cccc1F 71902720 AOQSYUNLQZYEHO-SNVBAGLBSA-N 306.312 3.069 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC[C@@H]1C)[C@H]2C(=O)O 102308807 GUOHAOSSSNLHLQ-HGYYMRRCSA-N 305.418 3.081 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccoc2)c1 33231996 CCMCMQIZLJCXGE-HNNXBMFYSA-N 301.342 3.274 0 40 DGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)c2cnn(C)c2)cs1 33238312 ZAEBXZVMPQUWMV-UHFFFAOYSA-N 324.409 3.055 0 40 DGAB COc1cccc(NC(=O)c2cn3cc(Cl)ccc3n2)c1 12323812 UJGIYPAPEVHMLZ-UHFFFAOYSA-N 301.733 3.249 0 40 DGAB Cc1ccccc1[C@@H](CC(=O)N[C@H](C)CCC(C)C)NC(N)=O 24463440 IZYCTHVDERCFIX-GDBMZVCRSA-N 319.449 3.035 0 40 DGAB Cc1nc2ccc(C(=O)NCc3ccccc3F)cc2nc1C 8061544 HBUAJFYTFAYPLA-UHFFFAOYSA-N 309.344 3.316 0 40 DGAB O=C(CCn1cnc2c(oc3ccccc32)c1=O)c1ccccc1 172910045 UASLIOWCKIMSNA-UHFFFAOYSA-N 318.332 3.416 0 40 DGAB Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1C 59387083 HLRPFEVGVFYUHL-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)Cc1ccc2ccccc2c1 24725407 HQACIIQUXHMYFE-KRWDZBQOSA-N 313.397 3.086 0 40 DGAB COc1ccc(NC(=O)CSc2ccc(F)c(F)c2)cn1 12543905 NWFQGYBPGCSVLQ-UHFFFAOYSA-N 310.325 3.099 0 40 DGAB COc1ccccc1OCCC(=O)Nc1nnc(C(C)C)s1 25049468 XHHXIOONSUVYLZ-UHFFFAOYSA-N 321.402 3.078 0 40 DGAB Cc1ccc(SCC(=O)c2sc3ncnn3c2C)cc1 1402673 DKZDYGSNDRMFQS-UHFFFAOYSA-N 303.412 3.383 0 40 DGAB Cc1nc(-c2ccc(CCNC(=O)[C@@H]3CCCO3)s2)cs1 25398413 MLPKPIJBUHXRRX-ZDUSSCGKSA-N 322.455 3.018 0 40 DGAB CC(C)c1nnc(NC(=O)N2CCn3cccc3[C@H]2C)s1 43697401 PPIVEPHDESDKIB-SNVBAGLBSA-N 305.407 3.072 0 40 DGAB CCCCOc1ccc(CS[C@@H](CC(=O)O)C(=O)O)cc1 1785934 JPOAUGJNFIWTJB-ZDUSSCGKSA-N 312.387 3.027 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 57557631 GYZODYBYQGDNPY-INIZCTEOSA-N 308.337 3.113 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccc3c(c2)OCCCO3)[nH]n1 58157847 FCGUBXVWVOEAID-UHFFFAOYSA-N 315.373 3.121 0 40 DGAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)n1ccnc1C 27588128 QNDWFGVPOZXRQU-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB C[C@H](NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1 58201247 WCRONFVYNVGMHC-NSHDSACASA-N 302.399 3.348 0 40 DGAB O=C(Cc1cn2ccccc2n1)Nc1nc2ccccc2s1 58343284 IRKRTYKUJSIELT-UHFFFAOYSA-N 308.366 3.125 0 40 DGAB O=C(Nc1ccn(Cc2ccccn2)n1)c1ccccc1Cl 58326972 UDGICPJHIBOFDX-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CC(C)Sc1nc(=O)n(CCc2ccccc2)c2c1CCC2 28288347 UZKZETUWYYWMRG-UHFFFAOYSA-N 314.454 3.475 0 40 DGAB COc1ccc(NC(=O)[C@H](C)SC(F)(F)F)c(OC)c1 36390525 TUTPUPOYPUAHHU-ZETCQYMHSA-N 309.309 3.284 0 40 DGAB CCOc1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1 3334190 FACLJBWVSQTARG-UHFFFAOYSA-N 305.403 3.487 0 40 DGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc(C(N)=O)cc1 68933635 AIHSLRSWUPRWHU-CQSZACIVSA-N 324.424 3.272 0 40 DGAB Cc1cc(CNC(=O)c2cccc3c4c([nH]c23)CCCC4)on1 48356375 XSAINBBIKQBSRY-UHFFFAOYSA-N 309.369 3.273 0 40 DGAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(Cl)cn1 48356109 BXFJNAIQLWMMNA-UHFFFAOYSA-N 314.723 3.125 0 40 DGAB O=C(CSCc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1 20111586 XWSXIBRQPWIUTE-UHFFFAOYSA-N 319.357 3.396 0 40 DGAB Cc1cc(C)cc(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)c1 3565508 XDWFYCJYOXUOMN-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)c(F)c1 3536935 IQMTXFNUMTVCDS-NSHDSACASA-N 302.324 3.355 0 40 DGAB COc1cccc(/C=C/c2nc(=O)c3ccccc3o2)c1OC 4027200 WFECTHLZLLOZSO-ZHACJKMWSA-N 309.321 3.376 0 40 DGAB biogenic CC(=O)[C@@H]1[C@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@@]1(C)O 4143755 GIWADHSGRXSAST-BRWVUGGUSA-N 319.788 3.281 0 40 DGAB O=Cc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 6051627 MPMLYUZFIZTTIU-SFHVURJKSA-N 309.365 3.072 0 40 DGAB Cn1c(-c2ccccc2)c(-c2ccccc2)[n+]2c1SC[C@@H](O)C2 17248208 QCQJXAGGVWWPGG-INIZCTEOSA-N 323.441 3.113 0 40 DGAB COCc1ccc(C(=O)Nc2ccc(OC)cc2OC)cc1 14136414 FXIDVWNITVHETM-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2OC)cc1 6507751 QHDBEHPVYGRTMJ-CYBMUJFWSA-N 319.426 3.297 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 6623323 NVTXLDYNNPQXSG-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)c1ccc(C)s1 66432561 JTJYBECDENIFDA-UHFFFAOYSA-N 309.362 3.473 0 40 DGAB COc1cccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)c1 5818561 PMJFWMPFEFTRAL-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB biogenic COc1ccccc1NC(=O)NCCCOCc1ccco1 18179341 GTIMCGPAFRWOKX-UHFFFAOYSA-N 304.346 3.017 0 40 DGAB Cc1nc(N2CCC[C@H](O)C2)c2c3c(sc2n1)C[C@H](C)CC3 5981383 IMTFJDJCPIZHNX-PWSUYJOCSA-N 317.458 3.086 0 40 DGAB C[C@H](NC(C)(C)CNC(=O)C1(C)CCOCC1)c1ccccc1 68385805 GIJDGQADDMDYCI-HNNXBMFYSA-N 318.461 3.049 0 40 DGAB CC1=C(C(=O)O)[C@@H](c2ccccc2)n2c(nc3ccccc32)N1 20153892 RSXOCKFLAMQNPU-MRXNPFEDSA-N 305.337 3.410 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2cccc(F)c2)c1 9725238 KODVWVQNHJDNFG-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cn3cc(C)ccc3n2)C1(C)C 71820088 HUQQYWJUYYOAFB-WBVHZDCISA-N 311.429 3.497 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71882150 FKLKEVIANWYPQV-CVEARBPZSA-N 321.428 3.388 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(-c2ncno2)cc1 71894458 ABVSTKJQUQDFDK-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB COc1ccc(Cl)cc1[C@H](C)NCCCN1CCCC1=O 89904572 OOGAUZJMUVGHQL-LBPRGKRZSA-N 310.825 3.012 0 40 DGAB CC(C)N(C1CCC1)S(=O)(=O)c1ccc(C(F)(F)F)nc1 97082778 OMPBJFOEOYYSJV-UHFFFAOYSA-N 322.352 3.052 0 40 DGAB COc1cc(C(=O)N2CCCc3cc(Cl)cc(F)c32)on1 97108907 WOPJMETUJOKWOL-UHFFFAOYSA-N 310.712 3.069 0 40 DGAB C[C@@H](CC(=O)Nc1cccc2[nH]ccc12)NC(=O)OC(C)(C)C 72302842 NUKMKRCNHORIFS-NSHDSACASA-N 317.389 3.410 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(Cl)c1 84714917 JDSSHSRMXBDRBV-LRDDRELGSA-N 306.837 3.077 0 40 DGAB C[C@H](NC(=O)N(C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1 95411050 VHRQWDJSRZPMCP-VIFPVBQESA-N 319.232 3.467 0 40 DGAB CC(C)n1nccc1NC(=O)N[C@H](C)C[C@H](O)c1cccs1 95433474 UDJREWFVDCZDSK-NEPJUHHUSA-N 322.434 3.159 0 40 DGAB Cc1cccc(CC(=O)N[C@@H](C)[C@H](O)c2c(F)cccc2F)c1 95430092 LYTGJSFSOKVLKD-SGTLLEGYSA-N 319.351 3.054 0 40 DGAB CN1CCC[C@@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@H]21 95436249 XMENLKXELBYEBF-HUUCEWRRSA-N 312.523 3.241 0 40 DGAB C[C@H](NC1CCOCC1)c1ccc(OCC(F)(F)F)cc1 95420566 GDBMNUAUZMGCPH-NSHDSACASA-N 303.324 3.457 0 40 DGAB Cn1cc(N2CCC[C@H](N[C@@H]3CCCc4sccc43)C2)cn1 95423279 NMZVOGFKFHVBHE-XJKSGUPXSA-N 316.474 3.118 0 40 DGAB O=C(/C=C/c1csc(Br)c1)Nc1nncs1 78814110 YOJDHEUQIKQBAP-OWOJBTEDSA-N 316.205 3.014 0 40 DGAB FC(F)(F)c1cc([C@@H]2CCCN(Cc3cccnc3)C2)n[nH]1 78900832 SVDDZCAZNLJZSA-GFCCVEGCSA-N 310.323 3.203 0 40 DGAB CCOc1nc(N2CCCCCC2)ncc1Br 79076725 UINZLRQIOGUUJW-UHFFFAOYSA-N 300.200 3.018 0 40 DGAB C[C@H](c1ccc(F)c(F)c1)S(=O)(=O)CC1(O)CCCCC1 95988324 RHXCJQNSVUBFAW-LLVKDONJSA-N 318.385 3.136 0 40 DGAB Cc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2C)o1 95989813 HAJCCHGLGCLWPS-CQSZACIVSA-N 301.342 3.151 0 40 DGAB CN1CCC(NC2(c3ccc(Br)cc3)CC2)CC1 95990425 DNTDXHKWNZSMGP-UHFFFAOYSA-N 309.251 3.122 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)CCc2ccco2)c1 25281413 TWOZZWNYYCZAAM-UHFFFAOYSA-N 310.357 3.129 0 40 DGAB COC(=O)c1ccccc1NC(=O)CCc1ccccc1F 62141361 DRJUROGZFLJXDI-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412865 UZHCDMIGFKTUQI-ACZWYYKOSA-N 323.440 3.268 0 40 DGAB CC(=O)N[C@@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 30183776 FPVZAZIWNATZKK-NSHDSACASA-N 306.431 3.184 0 40 DGAB O=C(Nc1ccccc1C(=O)N1CCCCCC1)c1cccnc1 33561981 IGZQDNOQUHBJNS-UHFFFAOYSA-N 323.396 3.350 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(c2ccccc2)=NO1)c1ccc(F)cc1 33155293 UXHOXAXFOPXXBV-SJKOYZFVSA-N 312.344 3.196 0 40 DGAB CN(CCCOc1ccccc1)C(=O)c1n[nH]c2ccccc12 31364936 LVPXHMUDANXHTD-UHFFFAOYSA-N 309.369 3.104 0 40 DGAB c1ccc(Nc2nc([C@@H]3CCCN3c3cnccn3)cs2)nc1 72384703 NJFQVWALAPYYEJ-ZDUSSCGKSA-N 324.413 3.413 0 40 DGAB COc1ccccc1-c1nnc(-c2c(C)nc3sccn23)o1 216609990 JAIKQTANGTYBHT-UHFFFAOYSA-N 312.354 3.430 0 40 DGAB CCn1ncc2ccc(NC(=O)N3CCO[C@](C)(CC)C3)cc21 189878711 QUIVMPQWMPRGMT-QGZVFWFLSA-N 316.405 3.089 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2)nc(N2CCCCCC2)n1 72241518 IAMXRMUYYILIHY-UHFFFAOYSA-N 324.428 3.095 0 40 DGAB Cc1cc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)n(C2CCCC2)n1 32508848 UVABWQCNNNMKQR-ZIAGYGMSSA-N 319.405 3.136 0 40 DGAB Cc1cc(C(F)(F)F)nc([C@H]2CCCN2c2ccnc(C)n2)n1 72367568 XKFBCDFZYPPIEG-LLVKDONJSA-N 323.322 3.244 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@H]2CCCC[C@@H]21 74536848 VFIRGYWDYKRRML-CABCVRRESA-N 304.438 3.013 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)Nc2cnn(C(C)C)c2)c1 40758876 VPCIQZMOIBMHCE-UHFFFAOYSA-N 311.389 3.151 0 40 DGAB Cc1cn(-c2ccccc2)nc1OCC(=O)Nc1ccccc1 226852174 ZCAAZBQXHNTDCQ-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)CCCC(=O)N2 227169566 SXBPRVGTIBMZBG-UHFFFAOYSA-N 312.344 3.282 0 40 DGAB O=C(C[C@@H]1CCCN1C(=O)c1cscn1)c1ccccc1 85482669 ZEGPGBYGQGNVBA-ZDUSSCGKSA-N 300.383 3.021 0 40 DGAB COCCNC(=S)Nc1ccc(Nc2cccc(C)c2)nc1 223886920 NRLVHTAYQPWRKY-UHFFFAOYSA-N 316.430 3.066 0 40 DGAB COCCCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225987625 ZVGOYXRHGGYMME-UHFFFAOYSA-N 309.797 3.037 0 40 DGAB O=C(CCCc1ccc2c(c1)OCCO2)NCC1CCCCC1 224946293 NIRSXMZWRWLBSS-UHFFFAOYSA-N 317.429 3.477 0 40 DGAB COC(=O)[C@H]1CC=CC[C@]1(C)C(=O)N[C@H](C)c1ccccc1 45028020 VUAGMQXTURFJLM-SIIHOXLZSA-N 301.386 3.009 0 40 DGAB Cc1ccnc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)c1 227165943 FMVDJMQDEIOHFC-CQSZACIVSA-N 306.369 3.453 0 40 DGAB CC(C)n1c(Cl)nc2cc(C(=O)NC[C@@H]3CCCO3)ccc21 225988237 BQUNNMLDDJOHTE-LBPRGKRZSA-N 321.808 3.179 0 40 DGAB CCc1ccc2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 45920459 UEGOHVFIDDHOQL-UHFFFAOYSA-N 306.325 3.344 0 40 DGAB O[C@H](CSCc1nc(C(F)(F)F)cs1)C(F)(F)F 191146665 HXJBFZYVKJEBQY-RXMQYKEDSA-N 311.272 3.318 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)c(C)c1 225611398 VSCRDPNUGBBRHB-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB O=C(NCC[C@@H](O)C1CC1)NC(c1ccccc1)c1ccccc1 77108831 DYKGQPFQZIIGTH-GOSISDBHSA-N 324.424 3.236 0 40 DGAB CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cccnc2)CC1 96425774 MZIDQPRNIPOFAK-BDVYOWHSSA-N 302.418 3.282 0 40 DGAB Cc1ccccc1CN1CC2(CO[C@H](Cc3cccnc3)C2)C1 257307018 SWXCQBBGZIGRLD-LJQANCHMSA-N 308.425 3.224 0 40 DGAB CCN(C(C)=O)[C@@H]1CN(Cc2cccnc2)C2(CCCCC2)C1 257243757 IIKYOQSABPSVMT-SFHVURJKSA-N 315.461 3.227 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@H]1c1cnccn1 257307627 SZNSPGFSZTXPCA-INIZCTEOSA-N 301.365 3.222 0 40 DGAB O=C(CCN1CCC[C@H](N2CCCCC2)C1)c1ccccc1 95992494 ILPIIPFFROAIMD-SFHVURJKSA-N 300.446 3.210 0 40 DGAB CCOC(=O)CCC[C@@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1772714983 LTSSSSOLASENDX-GFCCVEGCSA-N 315.410 3.092 0 40 DGAB CCCc1nn(Cc2ccccn2)c(=O)c2cc3ccsc3n12 12117613 FEUZDEWQRJQCEL-UHFFFAOYSA-N 324.409 3.107 0 40 DGAB CCOC(=O)Cn1nc(C)c2c(-c3ccc(F)cc3)ccnc21 12397161 PUTOUYIBFWIVBE-UHFFFAOYSA-N 313.332 3.109 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 14302560 NHZSPEBNWKFGLF-JQWIXIFHSA-N 316.323 3.331 0 40 DGAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)cc1c32 5153628 QEDKLQLSQSMMDL-NSHDSACASA-N 300.402 3.458 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2cc(F)ccc2[nH]1 30660313 OBXDMOPEDYBEOA-UHFFFAOYSA-N 322.343 3.456 0 40 DGAB Cc1ccsc1CCC(=O)N1CCCC[C@@H]1c1ccnn1C 1775986111 VSTBGULEWLYOPO-OAHLLOKOSA-N 317.458 3.476 0 40 DGAB O=C(C1CCCC1)N1CCN=C1SCc1cccc(F)c1 4119847 CKANTZKZOBTCSV-UHFFFAOYSA-N 306.406 3.447 0 40 DGAB CC(C)c1nnc(N2CCC(Oc3nccs3)CC2)s1 2086881854 NKYGCENTPQESTA-UHFFFAOYSA-N 310.448 3.166 0 40 DGAB O=C(/C=C/c1ccco1)Nc1cccc(N2CCCCC2=O)c1 40082469 NVDUOUXYBQADMS-MDZDMXLPSA-N 310.353 3.448 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(C)o1 40461955 RNYQIGXTMLCDDR-INIZCTEOSA-N 304.365 3.068 0 40 DGAB CCN(CC)C(=O)C1CCN(C[C@@H]2C[C@H]2c2ccccc2)CC1 92592900 QLFZHWALGAMCGG-OALUTQOASA-N 314.473 3.371 0 40 DGAB Cc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)s1 107731374 VVCOFBDMQNUGCT-NVXWUHKLSA-N 317.458 3.249 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccnc(NC2CC2)c1 58368816 CRUUWANDXJYCSI-UHFFFAOYSA-N 311.429 3.355 0 40 DGAB Cc1cccc(C)c1OC1CCN(c2ncnc3[nH]cnc23)CC1 52426295 FNTBHQXIEWGTHX-UHFFFAOYSA-N 323.400 3.018 0 40 DGAB NC(=O)[C@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 32869120 RAYRFDMJHNGTLV-CYBMUJFWSA-N 324.163 3.377 0 40 DGAB O=C(C1=NN(c2ccccc2)[C@H](c2ccccc2)C1)N1CCC1 32817932 KGEMBSYHGYAVCF-SFHVURJKSA-N 305.381 3.226 0 40 DGAB Oc1ccc(C2=CCN(c3nccc(C(F)(F)F)n3)CC2)cc1 69558757 NXGAZOJWTKFQDA-UHFFFAOYSA-N 321.302 3.495 0 40 DGAB Nc1c(C(=O)N2CCCC2)sc(=S)n1-c1ccccc1 425124 JFJKGXVCIFJJPY-UHFFFAOYSA-N 305.428 3.086 0 40 DGAB O=C1NC(=S)S/C1=C\C1=Cc2cc(Cl)ccc2OC1 9155566 YTBXYDLHYXFXJZ-WCIBSUBMSA-N 309.799 3.148 0 40 DGAB CCn1c(CNC(=O)Cc2ccc(C)cc2)nc2ccccc21 9378352 HSMMSPCDCOZLNC-UHFFFAOYSA-N 307.397 3.224 0 40 DGAB C[C@@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccccc1 2650651 GENGDIIQOZAEMT-OAHLLOKOSA-N 323.392 3.139 0 40 DGAB O=c1oc2ccccc2n1Cc1cc(Cl)c2c(c1)OCCO2 37114798 RWKKTGNYYLILFC-UHFFFAOYSA-N 317.728 3.067 0 40 DGAB O=C1[C@H]2CCCN2C(=S)N1c1cc(Cl)ccc1Cl 2788746 CHAZEHBZDDQVEZ-SECBINFHSA-N 301.198 3.089 0 40 DGAB COc1ccccc1[C@H](C)NCc1cc(OC)c2c(c1)OCO2 22779968 JTUABDFWWFIACJ-LBPRGKRZSA-N 315.369 3.283 0 40 DGAB CC(C)O[C@H]1O[C@@H](OC(C)C)[C@@H](OC(C)C)O[C@H]1OC(C)C 104332765 GMBSISAMOWPLPY-SYMSYNOKSA-N 320.426 3.038 0 40 DGAB CC(C)CCCNC(=O)[C@@H](NC(=O)c1cccs1)C(C)C 23132757 QUVGBAJCGKQBAI-AWEZNQCLSA-N 310.463 3.055 0 40 DGAB COc1ccccc1Oc1cc(-n2nc(C)cc2C)nc(C)n1 12391704 IAHDYQBFUIXRCB-UHFFFAOYSA-N 310.357 3.388 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 54661585 FHPBZWFHWYQCSJ-LBPRGKRZSA-N 305.765 3.051 0 40 DGAB O=C1CCCN1c1ccc(Nc2nccc(C(F)(F)F)n2)cc1 24054005 DZJPDJDPLNEGCD-UHFFFAOYSA-N 322.290 3.366 0 40 DGAB C[C@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CCOC1 89839111 ZAZKNXLTUNMXGZ-ZJUUUORDSA-N 302.201 3.077 0 40 DGAB Cc1cccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c1C 25330044 OGEWWDMZGJQKRX-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB O=c1cc(CSCCOc2ccccc2)nc2sccn12 58031139 GXCBZCKBRMCJIL-UHFFFAOYSA-N 318.423 3.068 0 40 DGAB O=C(CSc1ccncc1)N1CCOc2c(Cl)cccc21 89800173 ZYVGWQFFFGNVAF-UHFFFAOYSA-N 320.801 3.253 0 40 DGAB CCCc1noc([C@@H](C)N2CCO[C@H](c3ccccc3)C2)n1 58248951 OWYAQIIQKBPHEW-HIFRSBDPSA-N 301.390 3.157 0 40 DGAB COc1ccc(C(=O)C[C@H]2OC(=O)c3ccccc32)c(OC)c1 2242367 WAYPLQCEADSDRD-QGZVFWFLSA-N 312.321 3.188 0 40 DGAB COc1ccccc1CN[C@@H](CN1CCCC1=O)c1ccccc1 47794796 YBIYHWVJLKUZKH-SFHVURJKSA-N 324.424 3.149 0 40 DGAB Cc1sc2nc(CN(C)C3CCCCC3)[nH]c(=O)c2c1C 3250879 RVQVCEIVRMVTTA-UHFFFAOYSA-N 305.447 3.366 0 40 DGAB CN(C(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 12771124 FYKJDDNGTOHICY-UHFFFAOYSA-N 308.381 3.019 0 40 DGAB Nn1c(Cc2ccccc2)nnc1SCCCc1ccccc1 409100945 WCFNVTRCBGBJQR-UHFFFAOYSA-N 324.453 3.308 0 40 DGAB Fc1ccc(OCCCSc2nnc3ccccn23)cc1 8232888 BABJJIVORCYLQA-UHFFFAOYSA-N 303.362 3.430 0 40 DGAB Cc1cccc(C)c1NC(=O)CCN1C(=O)COc2ccccc21 12921578 CACSYIOMTXSQFF-UHFFFAOYSA-N 324.380 3.058 0 40 DGAB COc1cccc(C2=C[C@H](c3ccccc3)N3N=NNC3=N2)c1 13127729 JPWWJKWPUXQNAG-MRXNPFEDSA-N 305.341 3.334 0 40 DGAB COc1ccccc1N(Cc1cc2ccccc2[nH]c1=O)C(C)=O 13617618 JNAHEPUCSPTHJO-UHFFFAOYSA-N 322.364 3.090 0 40 DGAB Cc1cc(C(=O)CN2C(=O)c3ccccc3C2=O)c(C)c(C)c1C 6383811 PBOZEKVOPKULCD-UHFFFAOYSA-N 321.376 3.399 0 40 DGAB C[C@@H](CO)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4740098 QBEPPLKBCKJLKA-KPZWWZAWSA-N 306.365 3.094 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 6795063 XRVXPJJBUWSZIY-LLVKDONJSA-N 302.399 3.285 0 40 DGAB c1ccc(Oc2cccc(Oc3ccc4nnnn4n3)c2)cc1 8942780 JOQMQIHMPZQKFY-UHFFFAOYSA-N 305.297 3.104 0 40 DGAB Cc1cccnc1CNC(=O)NCc1cccc(NC(C)C)c1 89700547 GIGQFEFWWAJPDD-UHFFFAOYSA-N 312.417 3.210 0 40 DGAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnccn1 8756157 BUIZYJQIEQYIPE-UHFFFAOYSA-N 318.308 3.131 0 40 DGAB CCOc1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1OC 8720206 PBLKBKARDQVDOV-UHFFFAOYSA-N 311.341 3.223 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1 8782332 MEUDBSIZTRIXKS-CQSZACIVSA-N 300.402 3.115 0 40 DGAB CN(C)c1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 9118527 YXRLPWVCGCOCFX-UHFFFAOYSA-N 312.369 3.053 0 40 DGAB Cn1cc([C@@H]2CN(Cc3ccc(-c4ccccc4)o3)CCO2)cn1 93647225 WHWHFMNJFYZKPU-IBGZPJMESA-N 323.396 3.254 0 40 DGAB O=C(c1ccc2nncn2c1)N1CCC(=Cc2ccccc2)CC1 89828169 HVXWLCDLELJIDY-UHFFFAOYSA-N 318.380 3.049 0 40 DGAB CCOC[C@@H]1CCN(CC2=Cc3cc(Cl)ccc3OC2)C1 93838726 KZTHHDXYWSHBSB-CYBMUJFWSA-N 307.821 3.474 0 40 DGAB O=C(Nc1cccc(CS(=O)(=O)c2ccccc2)c1)C1CC1 71894202 QWZSXTGDNCLEEV-UHFFFAOYSA-N 315.394 3.009 0 40 DGAB O[C@@H](CN1C[C@H]2CC=CC[C@H]2C1)c1cccc(Br)c1 97002812 PSLKCLXFJFHQAP-LZWOXQAQSA-N 322.246 3.381 0 40 DGAB Cc1cc(C)n(Cc2cccc(CNc3ncc(F)cn3)c2)n1 97020381 URULPNPUBRINDR-UHFFFAOYSA-N 311.364 3.089 0 40 DGAB COc1ccccc1CNC(=O)c1cn[nH]c1-c1ccc(C)cc1 72328919 BQHZCHQKRYFYNV-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)c3ccsc3)cc12 76083915 CFBGCXSXCWGRGN-HNNXBMFYSA-N 318.373 3.140 0 40 DGAB CCCN(Cc1ccccc1)C(=O)CCOC[C@H]1CCCO1 97326867 KFWNNKPYRFZPHS-QGZVFWFLSA-N 305.418 3.011 0 40 DGAB O=C(/C=C/c1ccco1)Nc1[nH]ncc1-c1ccc2c(c1)OCO2 76067896 LKMMIIFYGXPKEB-GQCTYLIASA-N 323.308 3.050 0 40 DGAB c1ccc2sc([C@@H]3CCCN3c3nccn4cnnc34)nc2c1 76017813 CBANYACFMMMVOQ-LBPRGKRZSA-N 322.397 3.076 0 40 DGAB O=C(NOCc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 84541205 LIQKYPHEXNRVDR-UHFFFAOYSA-N 321.380 3.367 0 40 DGAB CCOC(=O)N1CCC(OC(=O)c2cc3c(s2)CCC3)CC1 84793546 VZWRCOSNINHOEI-UHFFFAOYSA-N 323.414 3.015 0 40 DGAB CN(C(=O)c1ccncc1Cl)c1ccc(-c2ccccc2)nn1 95415360 RUVRKJCZCAUREV-UHFFFAOYSA-N 324.771 3.469 0 40 DGAB Cc1cc(C(=O)Nc2cccc3[nH]ccc23)c2c(C)nn(C)c2n1 95476026 OPKCDKLYYDKTGQ-UHFFFAOYSA-N 319.368 3.319 0 40 DGAB COc1ccsc1C(=O)NC[C@@H](C[C@H](C)O)c1ccccc1 95413162 FUIKVDZWRKIKDC-GXTWGEPZSA-N 319.426 3.041 0 40 DGAB CCCC[C@H](N[C@@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC 95943548 WRDQIYSTYAHSNH-ACJLOTCBSA-N 314.429 3.347 0 40 DGAB C[C@H](CN[C@H](C)CS(C)(=O)=O)c1c(Cl)cccc1Cl 95985008 QMGNNEWPOKDKFS-NXEZZACHSA-N 324.273 3.120 0 40 DGAB COC(=O)c1occc1COc1cc(F)cc(F)c1C(C)=O 89265751 ULZZCKGEEDEHDE-UHFFFAOYSA-N 310.252 3.126 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3o2)cc1 8852805 GFJUYDFPOZGAJA-UHFFFAOYSA-N 323.352 3.358 0 40 DGAB COc1ccc(OC)c(COC(=O)[C@H]2C[C@@H]2c2ccco2)c1 121335593 XERCYRSFPWZXGB-KBPBESRZSA-N 302.326 3.144 0 40 DGAB COc1ccccc1[C@H](O)[C@H](CCCO)c1ccccc1OC 3844238 HQCMJVBZTNVFBP-DNVCBOLYSA-N 316.397 3.294 0 40 DGAB biogenic C[C@@H]1O[C@H](C)[C@H](Nc2nc(-c3cccnc3)nc3c2CCC3)[C@H]1C 528204022 FXIPULDZLYODFZ-APNQJHFZSA-N 324.428 3.251 0 40 DGAB Cc1ccc(NC(=O)/C=C/c2cnn(-c3ccccc3)n2)cc1 31663506 XKAAOWORLSQTKU-VAWYXSNFSA-N 304.353 3.228 0 40 DGAB Cc1nc2ccccc2cc1C(=O)N[C@H]1CCCc2c1cnn2C 71195582 JBFPCHOVDBPRJJ-KRWDZBQOSA-N 320.396 3.084 0 40 DGAB O=C(NCCCn1ncc2ccccc21)[C@@H]1C[C@H]1c1ccccc1 72239477 OJULJCKKTRWGIF-ZWKOTPCHSA-N 319.408 3.346 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccccc2OC(F)F)nc1 77240663 FFQOJSSMBWIUNN-UHFFFAOYSA-N 308.284 3.009 0 40 DGAB CC[C@@H](c1ccccc1)N1Cc2nc(N3CCCC3)ncc2C1=O 41123049 DDCBLYNYIMKJRQ-KRWDZBQOSA-N 322.412 3.184 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCCCCC2)nc1 223879133 QDFUVEWPQZPFJW-UHFFFAOYSA-N 306.479 3.404 0 40 DGAB CCc1ccc(CC)c(CNS(=O)(=O)Cc2ccccc2)c1 224100566 WCYRIIRMXHIYTP-UHFFFAOYSA-N 317.454 3.431 0 40 DGAB O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1N1CCCCC1 49469174 NAUVVFWLNQJUFM-UHFFFAOYSA-N 317.776 3.486 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222905295 FMZRDOUGLOAODY-CABCVRRESA-N 300.431 3.038 0 40 DGAB COc1ccc(S(=O)(=O)NCCC2=CCCCC2)c(C)c1C 224249373 UIJFSXFJLVSROX-UHFFFAOYSA-N 323.458 3.481 0 40 DGAB CCCc1noc([C@@H]2CCCCN2C(=O)Cc2cccs2)n1 40714898 WRSBUOLVLDFSSS-ZDUSSCGKSA-N 319.430 3.380 0 40 DGAB CCN(CC)CCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1 225601744 WCUKSYIATVGDCT-GOSISDBHSA-N 322.449 3.161 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCC 222993630 GSURJVFCOUYHPG-OAHLLOKOSA-N 304.434 3.120 0 40 DGAB COc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@H]2OC)cc1 96110232 NREKRLKYPKSBJZ-PKOBYXMFSA-N 315.413 3.368 0 40 DGAB CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96416530 NMGOODCEZJKAMA-HUUCEWRRSA-N 306.431 3.049 0 40 DGAB Cc1ccccc1C1CC(N[C@@H](C)C(=O)NCc2ccco2)C1 97371149 NKHCFFKVNMXXSL-FHERZECASA-N 312.413 3.129 0 40 DGAB CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96056800 HGJXULPVWFKQRR-RTBURBONSA-N 319.445 3.103 0 40 DGAB CO[C@H](CNC(=O)Cc1cccc(C)c1)c1ccc(C)s1 96104669 RLWQVXXOFIJWGS-OAHLLOKOSA-N 303.427 3.411 0 40 DGAB COc1ccccc1-c1ccc([C@H](C)N(C)S(C)(=O)=O)cc1 96428365 RTZYOIHCXNWKKO-ZDUSSCGKSA-N 319.426 3.315 0 40 DGAB Fc1cccc(CN2C[C@H]3CN(Cc4cccs4)C[C@@H]3C2)c1 96053850 XTCYPGILFWGFKQ-HOTGVXAUSA-N 316.445 3.451 0 40 DGAB O=C1CCOC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 248075793 ZYNSKBKVJJHUEL-ZVDOUQERSA-N 321.420 3.260 0 40 DGAB O=C(Cc1cccc(F)c1)N1CCC[C@@H](Cc2cccnc2)C1 257205142 AXVYIKUHPFXUPD-KRWDZBQOSA-N 312.388 3.245 0 40 DGAB COc1ccc(/C=C2/N=C(Cc3ccccc3)OC2=O)cc1OC 253437451 KZQBTHKSPJQTJB-XNTDXEJSSA-N 323.348 3.243 0 40 DGAB c1nc(C2OCCO2)sc1CN1CCCC[C@@H]1C1CCC1 585089103 JLECHUAEIHYVKB-CQSZACIVSA-N 308.447 3.343 0 40 DGAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCN(C)C2)n1 257209392 BQECITBXRFDPKL-LBPRGKRZSA-N 303.435 3.103 0 40 DGAB Cc1cn2c([C@H]3CCCN(C(=O)c4ccccn4)C3)cccc2n1 257213875 CJKZMXNXHUYIEH-HNNXBMFYSA-N 320.396 3.058 0 40 DGAB NNc1cc(C(F)(F)F)nc2ccc(Br)cc12 1717143 GVIQWZMTOBKALD-UHFFFAOYSA-N 306.085 3.302 0 40 DGAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccccn1 585108942 GZOCEMXSAOCPQS-MNEFBYGVSA-N 321.424 3.018 0 40 DGAB COCCC1(CNC(=O)N[C@H](C)c2nccs2)CCCC1 97015248 VBBUOMRCJVTPHF-GFCCVEGCSA-N 311.451 3.100 0 40 DGAB CN(c1ccccc1NC(=O)c1csnn1)C1CCCC1 89365592 VDGPKWMWAULCDB-UHFFFAOYSA-N 302.403 3.169 0 40 DGAB COC(=O)c1c(NC(=O)COc2ccccc2)sc(C)c1C 5145521 ZULOGYXFLWHULE-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB O=C(NC1CCCCCCC1)c1ccc(Cn2cncn2)cc1 11605513 IJXRDPCKADQOBJ-UHFFFAOYSA-N 312.417 3.169 0 40 DGAB Cc1ccc(C(=O)NC(=S)NNc2ccccc2)cc1Cl 14257568 WUHNPNZVJUYQKX-UHFFFAOYSA-N 319.817 3.280 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1Cc2ccccc2C1=O 19083221 YHBIJYGFXRFRME-LSDHHAIUSA-N 301.386 3.441 0 40 DGAB COc1ccc(NC(=O)CCc2ccccc2F)cc1OC 19163920 XKDVSNGCKBGUFE-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB CC[C@H](C(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2)c1ccccc1 253473611 WRXYBJZUFXCAFB-BQFCYCMXSA-N 324.428 3.166 0 40 DGAB Cc1cnccc1OCC1CCN(c2ncc(Cl)cn2)CC1 1889096016 DXWHIWAXLPTIHV-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccncn1 1848353887 VAHUWFZRCORLJQ-GOSISDBHSA-N 320.396 3.254 0 40 DGAB Cc1oc(C)c(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1C 28011325 KJSLGGDHKICOSV-GFCCVEGCSA-N 324.384 3.277 0 40 DGAB O=C(Nc1cn[nH]c1)c1cc(-c2ccco2)nn1-c1ccccc1 30663605 IBNKREKVOWFAHS-UHFFFAOYSA-N 319.324 3.108 0 40 DGAB CCn1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c(C)n1 57810998 HZARDKOLRPWLDH-LJQANCHMSA-N 313.445 3.393 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1cccs1 240278 HJIHXPFKIDQCML-BQYQJAHWSA-N 312.350 3.245 0 40 DGAB CCCC(CCC)C(=O)Nc1c(C)nc2cc(C)ccn2c1=O 17269701 NYPMOTSHQCPGGS-UHFFFAOYSA-N 315.417 3.466 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CCC2=O 34111133 LIMBPOMDHZQBJH-MRXGKOFTSA-N 302.414 3.299 0 40 DGAB CCc1cccc2c(C=O)cn(CC(=O)NCc3ccccc3)c12 6247266 XNFGNRKQBBRZMT-UHFFFAOYSA-N 320.392 3.333 0 40 DGAB O=C(NCCSC(F)(F)F)c1ccc2ccccc2n1 40118572 JYNZNWKZLJFDQL-UHFFFAOYSA-N 300.305 3.218 0 40 DGAB O=C(COC1CCCC1)Nc1nnc(C2CCCCC2)s1 40141618 IBNDEETZSMXWLI-UHFFFAOYSA-N 309.435 3.484 0 40 DGAB Cc1nn(C)c(C)c1CN[C@@H](c1ccccc1)c1ccccn1 40464606 MMRRJSLJVMRGJG-IBGZPJMESA-N 306.413 3.311 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c(C)o1 69454387 QVUZGCDTQIGFKO-QWRGUYRKSA-N 318.421 3.368 0 40 DGAB COC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1O 1006553 IXZXRYDQIBPNHH-UHFFFAOYSA-N 305.717 3.085 0 40 DGAB O=C(Nc1cc(F)cc(N2CCCC2)c1)c1cc(C2CC2)[nH]n1 69567285 AVUGMALDRBJIAO-UHFFFAOYSA-N 314.364 3.279 0 40 DGAB COC1CCN(Cc2cc(F)ccc2Br)CC1 69531196 HUEYXCDLKLCMJP-UHFFFAOYSA-N 302.187 3.199 0 40 DGAB CNc1snc(C)c1C(=O)NCCc1csc(C(C)C)n1 69598460 VUTFLPSKVSDPCG-UHFFFAOYSA-N 324.475 3.046 0 40 DGAB C[C@H]1CC(=O)c2cn3nc(-c4ccc(Cl)cc4)nc3nc2C1 4992907 MYVWWGGHSMUTGH-SECBINFHSA-N 312.760 3.210 0 40 DGAB C[C@@H](CNC(=O)Nc1ccc(F)cc1)N(C)c1ccccc1 45950764 HPRDAUTZKBILTJ-ZDUSSCGKSA-N 301.365 3.472 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2C)c(OC)c1 59267351 WQPJUJFVRLWFGW-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB Cc1ccc(F)c(NC(=O)N2CCC(c3nc(C)no3)CC2)c1 69570565 VVWCVDAOHIUTEO-UHFFFAOYSA-N 318.352 3.237 0 40 DGAB CN(C)[C@H](CNc1cnc2ccccc2n1)c1ccc(F)cc1 52486103 ANYKIJINAUSTQH-QGZVFWFLSA-N 310.376 3.484 0 40 DGAB C[C@@H](N(C)C(=O)[C@H](c1c(F)cccc1F)N(C)C)C1(C)CC1 91932254 DEHWJUBJLJRMAM-ABAIWWIYSA-N 310.388 3.215 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@@H]2CCCC[C@H]21 107787494 IBXNSFGFNKQNNW-GHMZBOCLSA-N 306.214 3.309 0 40 DGAB CSCc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 102716273 GMJSVWROFBAOKE-MRXNPFEDSA-N 317.458 3.028 0 40 DGAB CN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 51356249 WLBNCFLJXBEKOX-UHFFFAOYSA-N 303.745 3.160 0 40 DGAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 24518775 AWFFVOJLQXWTFV-ACJLOTCBSA-N 312.388 3.496 0 40 DGAB Cc1ccc(NC(=O)N2CCN(c3ccncc3)CC2)c(C)c1 43143158 SSXRFACQWWCKPN-UHFFFAOYSA-N 310.401 3.053 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)N3CCCCC3)o2)cc1 64021927 NKKYBXAZTPJFKB-UHFFFAOYSA-N 314.385 3.295 0 40 DGAB CC[C@H](NC(=O)c1cccc[n+]1[O-])C12CC3CC(CC(C3)C1)C2 57128864 ZINIVJQEFDSZTG-QBNKABOXSA-N 314.429 3.045 0 40 DGAB Cc1cccc(NC(=O)COc2ncnc3ccccc23)c1C 3266772 TUVXZEFJCHVDGX-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB CCCNc1ncnc2ccc(I)cc12 1911102 CLIXQBRAMPRRJU-UHFFFAOYSA-N 313.142 3.056 0 40 DGAB O=C1CCN(c2nc(-c3ccccc3)nc3ccccc23)CC1 3350924 QHRLQMPZDCHSCH-UHFFFAOYSA-N 303.365 3.466 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@H]2CCCC[C@@H]21 58210240 SBFZIIOEAFPINS-OIISXLGYSA-N 324.428 3.308 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2nc3cc(F)c(F)cc3s2)c1 58343668 OKOWVTBNBSVEQF-UHFFFAOYSA-N 321.308 3.358 0 40 DGAB COCc1cccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)c1 36392822 HWIDVVGLWNINEZ-YOEHRIQHSA-N 305.418 3.158 0 40 DGAB CC(C)(C)n1c(NC(=O)CCn2cccn2)nc2ccccc21 69780305 ZXUMFRVWSLPYDI-UHFFFAOYSA-N 311.389 3.017 0 40 DGAB CCO/C=C1/C(=O)N(c2ccc(OC)cc2)C(=O)c2ccccc21 2358065 YXSGCTHHAXSUFW-SFQUDFHCSA-N 323.348 3.260 0 40 DGAB O=C(Nc1ccccc1)c1ccccc1OCCn1cccn1 48344045 DKNRREJZMUOYHK-UHFFFAOYSA-N 307.353 3.214 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nc(C)cs2)cc1OC 3562002 VYBQJFFCWGUMLD-FNORWQNLSA-N 304.371 3.121 0 40 DGAB CCCN1C(=O)c2ccccc2NC12CCN(C(C)C)CC2 8428699 MEJLLUKKFDYAAD-UHFFFAOYSA-N 301.434 3.165 0 40 DGAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4019238 RKWDVHZCIMPDHQ-FQPOAREZSA-N 309.287 3.241 0 40 DGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCCc2ccccc21 7904546 MMLQMKGUYWAADN-IBGZPJMESA-N 306.409 3.459 0 40 DGAB Cc1noc(C)c1C(=O)OCC(=O)c1ccc(C(C)C)cc1 5198491 GLSUAMZPVINSBN-UHFFFAOYSA-N 301.342 3.455 0 40 DGAB Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@@]1(O)C(F)(F)F 4503250 ZAAQHIWTTPDHNS-CYBMUJFWSA-N 318.295 3.087 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2cccc(F)c2)c(C)c1 29046210 HFANEEXZVDATFU-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB NC(=O)c1ccsc1NC(=O)/C=C/c1ccc(Cl)cc1 14626793 QTACHELUIAAUAY-ZZXKWVIFSA-N 306.774 3.152 0 40 DGAB Cc1cc(C)cc(C(=O)O[C@@H](C(=O)NC2CC2)c2ccccc2)c1 6987554 ZZMLDLZOTJOHFP-GOSISDBHSA-N 323.392 3.480 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2ccsc2)C1 69808244 OPOMPPCFKAMRHL-HNNXBMFYSA-N 303.431 3.049 0 40 DGAB Cc1cc(C)cc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)c1 9044675 OFWHSUNPXOWNHQ-SFHVURJKSA-N 324.405 3.188 0 40 DGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2cccc3ccccc23)no1 9112745 NVEBLBRKCROTEV-LBPRGKRZSA-N 324.336 3.320 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(-n3cccn3)cc2)cc1 24570771 BIJYRVFFXGRDHZ-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB Cn1c(CNC(C)(C)c2ccc(Cl)cc2)nnc1C1CC1 71803064 ZWLNSUHTKXZIDO-UHFFFAOYSA-N 304.825 3.371 0 40 DGAB CCOC1CCN(C(=O)c2cc(C)nc3cc(F)ccc23)CC1 71820703 KOXBWPRGURJWBL-UHFFFAOYSA-N 316.376 3.323 0 40 DGAB Fc1ccc2c(NC3CCN(c4ncccn4)CC3)ccnc2c1 75611416 SYPNLRYTWWJCMJ-UHFFFAOYSA-N 323.375 3.245 0 40 DGAB N[C@@H]1CN(Cc2cccc3cccnc23)C[C@H]1c1ccc(F)cc1 97163512 LVRFBBPCNSGUFR-RBUKOAKNSA-N 321.399 3.301 0 40 DGAB Cc1cccc([C@H](C)N2CCCN(C(=O)c3ccncc3)CC2)c1 72577775 IKVVMAIXZZGFSR-KRWDZBQOSA-N 323.440 3.299 0 40 DGAB C[C@@H](CNc1ccccc1S(C)(=O)=O)Oc1ccccc1F 78473908 FYYCTYAUGIHPBH-LBPRGKRZSA-N 323.389 3.109 0 40 DGAB Oc1nc(-c2ccc(Br)cn2)nc2ccccc12 84585381 MYHUISGQLGGFNM-UHFFFAOYSA-N 302.131 3.160 0 40 DGAB Cn1cc(N2CCC[C@@H](N[C@@H]3CCCc4sccc43)C2)cn1 95423280 NMZVOGFKFHVBHE-CZUORRHYSA-N 316.474 3.118 0 40 DGAB Cn1cc(C(=O)N(c2cccc(F)c2)C2CCCC2)ccc1=O 95411520 QVLBYUMSFMXPGZ-UHFFFAOYSA-N 314.360 3.114 0 40 DGAB CC(C)(C)[C@@H](CO)NC(=O)Nc1ccccc1C(F)(F)F 78821557 BKGASJGMYLLLDG-LLVKDONJSA-N 304.312 3.234 0 40 DGAB C[C@H](NCc1ccccc1F)c1ccc2c(c1)NC(=O)CO2 74333756 OVHWNUMBMLAIBE-NSHDSACASA-N 300.333 3.007 0 40 DGAB O=C(Nc1ccccn1)c1c[nH]c(=S)n1-c1ccc(F)cc1 9945464 UBAOVPMEWNUDNH-UHFFFAOYSA-N 314.345 3.321 0 40 DGAB Cc1ncc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)s1 86371465 MYGMTWFPUWSCBL-JTQLQIEISA-N 305.403 3.480 0 40 DGAB Cc1ccccc1CN1CCN(C(=O)C2=C(Cl)CCC2)CC1 89689352 UGDWMHIAJOZJPC-UHFFFAOYSA-N 318.848 3.316 0 40 DGAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NCc2ccccc2)cc1C 22540501 SYWJWTYFSYVLTC-MRXNPFEDSA-N 324.424 3.105 0 40 DGAB O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCc2ccccc21 31547738 FXZPUXIJNHYSML-UHFFFAOYSA-N 307.328 3.214 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1 216423826 KHKGVSSBFXUAIU-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB C[C@H]1CCC[C@H](OCc2cccc(NC(=O)N(C)CCO)c2)C1 77694646 KORYFLJUJCBGEZ-YOEHRIQHSA-N 320.433 3.238 0 40 DGAB CCOc1c(F)cccc1C(=O)N1CCC(F)(F)C[C@@H]1C 530018886 WVEBZNIBCRFSFT-JTQLQIEISA-N 301.308 3.484 0 40 DGAB Cc1cnc([C@@H](C)NC(=O)N[C@H]2CCOc3ccccc32)s1 78309484 FKRWSOUWTZTUBH-YPMHNXCESA-N 317.414 3.336 0 40 DGAB COc1ccc(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)cc1 38935494 WRICQYWKKUDIAJ-MRXNPFEDSA-N 311.381 3.334 0 40 DGAB CCOc1c(Cl)cccc1CC(=O)NCc1cncc(C)c1 189836524 MAUIMAWAJUJBGR-UHFFFAOYSA-N 318.804 3.301 0 40 DGAB COCC[C@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 79357881 PZHQYDVIIHONBU-AWEZNQCLSA-N 314.385 3.337 0 40 DGAB CC(C)Oc1ccc(NC(=S)NCCCn2ccnc2)cc1 225521807 VFPJXRSEWDQNJI-UHFFFAOYSA-N 318.446 3.047 0 40 DGAB Cc1noc(-c2ccccc2OCC(=O)Nc2ccccc2C)n1 46012371 SIGFPQHGYTVYRR-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3C[C@@H]4CC[C@@H]3C4)cc2)n1 225286637 VPXKUWAJYYUJAP-QRQLOZEOSA-N 323.440 3.467 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC1CCCC1 224153355 OATFZBTYCMTDFK-KRWDZBQOSA-N 316.445 3.263 0 40 DGAB CCOc1cccc(CNC(=S)Nc2ccc(C)cn2)c1 225441014 ALDGDGZRMBXZSE-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)c1ccc2nc(Cl)ccc2c1 81796386 AAXWPPSODAFEMK-QWRGUYRKSA-N 306.793 3.025 0 40 DGAB Cc1nc2cc(NC(=O)NC[C@H](O)c3ccsc3)ccc2o1 96478164 NSFWFYHTSGFARL-ZDUSSCGKSA-N 317.370 3.053 0 40 DGAB COc1ccccc1C[C@H](C)NC[C@](C)(O)c1ccsc1 95423038 PKBGAXJQRDDWDW-GUYCJALGSA-N 305.443 3.185 0 40 DGAB CSCCN1C[C@@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 95436582 BIHHLAJTWWDWQH-QWHCGFSZSA-N 305.365 3.176 0 40 DGAB O=C(Cc1cccs1)N1CC[C@@H](COCc2ccccc2)C1 96426045 DTMOFDWMOUHWDP-MRXNPFEDSA-N 315.438 3.356 0 40 DGAB C[C@H](Cn1cncn1)NCc1cc(C(F)(F)F)ccc1Cl 97229641 CERGTWYZWREERT-SECBINFHSA-N 318.730 3.129 0 40 DGAB CNC(=O)C[C@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21 96052594 PSSWSVLDTXXQMH-INIZCTEOSA-N 312.457 3.054 0 40 DGAB Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(F)c2F)o1 96408360 NUGIQKKGZVJOEG-ZDUSSCGKSA-N 307.296 3.080 0 40 DGAB COc1ccc(-c2noc([C@@H](C)NC3CCC3)c2C(=O)O)cc1 96296887 NKCGCGBTGPRTOC-SNVBAGLBSA-N 316.357 3.252 0 40 DGAB biogenic,in-vitro O=C(Nc1cccc(NC(=O)[C@@H]2CCOC2)c1)C1CCCCC1 96456091 OGJBAPVLBAAJHE-CQSZACIVSA-N 316.401 3.180 0 40 DGAB NCc1ccc(C(=O)N(CCc2ccccc2)C2CCCC2)o1 237935163 NKXCQCDOILJVNG-UHFFFAOYSA-N 312.413 3.366 0 40 DGAB CCCc1csc(NC(=O)NC[C@@H](O)c2ccsc2)n1 96494166 BHAAMMIAHQDWHC-LLVKDONJSA-N 311.432 3.012 0 40 DGAB Cc1ccccc1NC(=O)Cc1noc(-c2occ3c2CCC3)n1 585081670 FLRLBRIDRQCHMB-UHFFFAOYSA-N 323.352 3.308 0 40 DGAB c1ccc2sc(CN3CCO[C@@H](c4cnccn4)C3)cc2c1 257318893 VPVRRRZWZJEWTL-MRXNPFEDSA-N 311.410 3.265 0 40 DGAB CC(C)OC(=O)c1c(Br)cncc1Br 725239903 CXCVNGMQKWXZOL-UHFFFAOYSA-N 322.984 3.172 0 40 DGAB C/C(=C\C(=O)NNc1ncccn1)C12CC3CC(CC(C3)C1)C2 96402077 HPRMDAFHINZCBF-LFYBBSHMSA-N 312.417 3.082 0 40 DGAB COc1ccc2oc([C@H](C)NCc3nnc(C)o3)c(C)c2c1 97112135 XPCWLVUOFSLTME-JTQLQIEISA-N 301.346 3.292 0 40 DGAB c1coc(CCNC2CCN(CCc3cccs3)CC2)c1 14000469 PAMXYVRNVSNAPZ-UHFFFAOYSA-N 304.459 3.180 0 40 DGAB CCCOc1ccc(C(=O)CCC(=O)Nc2cccnc2)cc1 15436321 KGRRPQLBQWWCPG-UHFFFAOYSA-N 312.369 3.472 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)c1cccc(F)c1 16968868 KISYOWQBELPAPW-UHFFFAOYSA-N 313.372 3.304 0 40 DGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CC1(Cl)Cl 19358477 KQCSXAWLGGBTLJ-LURJTMIESA-N 310.083 3.140 0 40 DGAB O=C(c1ccccc1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19368674 QPVQUCUTLWHYDU-HNNXBMFYSA-N 311.385 3.357 0 40 DGAB COc1ccccc1CN1CCN([C@H]2CCC[C@H](C)C2)CC1 19367712 IMJWQTVSBYSWEY-WMZOPIPTSA-N 302.462 3.392 0 40 DGAB C[C@H](OC(=O)Cc1ccc(F)cc1)C(=O)Nc1ccc(F)cc1 5633824 RVSASTZCGDQXSU-NSHDSACASA-N 319.307 3.078 0 40 DGAB Clc1ccc2nc(N3CCN(c4ccccn4)CC3)oc2c1 1889180440 GDRVCGIMKKFUBI-UHFFFAOYSA-N 314.776 3.203 0 40 DGAB Cc1cc(N)c(S(=O)(=O)NCc2ccccc2Cl)cc1C 20548149 VWBDKICXYMOOGT-UHFFFAOYSA-N 324.833 3.018 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 30863731 YEAVURXBDSYICH-RYUDHWBXSA-N 319.430 3.235 0 40 DGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953018380 WURLEMVXGOMZEB-SFHVURJKSA-N 314.454 3.216 0 40 DGAB CCc1cccc(CC)c1N1C=[N+]([C@H](CO)c2ccccc2)CC1 1911936396 CUDOUBGHNKOHAI-HXUWFJFHSA-N 323.460 3.406 0 40 DGAB Cc1nc2ccc3nc(NC(=O)c4ccno4)sc3c2s1 10253806 MHJCDQOZZAJWLJ-UHFFFAOYSA-N 316.367 3.455 0 40 DGAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCc1cccs1 11693133 PKUYSQKIKKVZRU-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB C[C@@](O)(CNC(=O)c1ccc(Cl)s1)Cc1ccsc1 618257289 UEQJKTPNLYQJMV-ZDUSSCGKSA-N 315.847 3.187 0 40 DGAB Cc1cc(C)nc(-n2nc(C)c(CCc3ccccc3)c2O)n1 100072441 MNFFICJIDDLAAP-UHFFFAOYSA-N 308.385 3.078 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@H]1c1ccncc1 30577724 ABGJSLHIQNPSEG-SFHVURJKSA-N 318.380 3.245 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)Cc2ccccc2F)c1C 58958478 VJQVSZJXIPBEAC-UHFFFAOYSA-N 316.376 3.047 0 40 DGAB CCN(CC)C(=O)C1CCN(Cc2ccc3c(c2)CCC3)CC1 1675096 DELYMNQSEIWFDQ-UHFFFAOYSA-N 314.473 3.256 0 40 DGAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(CC)CC 2182643 DUISCPWHCXWYMF-UHFFFAOYSA-N 319.854 3.468 0 40 DGAB Cc1c(C)c2cc3c(c(C)c2oc1=O)OCN(c1ccccn1)C3 20548486 ZRWXQOAJFXVHCD-UHFFFAOYSA-N 322.364 3.470 0 40 DGAB CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1cccs1 11594807 MNRACMVOEDNPCC-UHFFFAOYSA-N 313.382 3.234 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CCC4=CC(=O)NCC[C@]43C)[C@@H]1CC[C@@H]2O 4983565 UJPILRQDXJVBHX-DGUWLTKGSA-N 303.446 3.036 0 40 DGAB CCN(CC)[C@H](CNC(=O)Nc1ccccn1)c1ccsc1 46253362 PYKCNPZRCSHIPP-CQSZACIVSA-N 318.446 3.348 0 40 DGAB O=C(Nc1ccccc1Cl)N[C@@H]1CCN(CC(F)(F)F)C1 57985535 GHWFZCLXSHXPTG-SECBINFHSA-N 321.730 3.098 0 40 DGAB O=C(Cc1c(Cl)cccc1Cl)NCCc1ccccn1 21773845 WCNTXUWGORBORL-UHFFFAOYSA-N 309.196 3.290 0 40 DGAB O[C@@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCCC2 22407954 NKRVKLGGPMFTQL-HXUWFJFHSA-N 307.417 3.337 0 40 DGAB CSc1ccccc1NC(=O)[C@@H](NC(C)=O)C1CCCC1 53458761 MPGLUNFNOVSEOZ-HNNXBMFYSA-N 306.431 3.042 0 40 DGAB CC(C)Cc1noc(COC(=O)c2cn(C)c3ccccc23)n1 22526427 XWGUTZBQDDJGDM-UHFFFAOYSA-N 313.357 3.117 0 40 DGAB CCCc1noc(CN2CCC[C@H]2c2cccc(OC)c2)n1 42632687 MGTWNJITNPANPG-HNNXBMFYSA-N 301.390 3.368 0 40 DGAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(F)c1 24016004 XKVHZIGYZVBPKY-CZUORRHYSA-N 313.376 3.121 0 40 DGAB O=C(c1[nH]c2ccccc2c1-c1ccccc1)N1CCOCC1 1382836 ZFISJXWBBJKAFC-UHFFFAOYSA-N 306.365 3.307 0 40 DGAB Cc1cccc(C)c1NC(=O)N1CCN(c2nccs2)CC1 43358128 QBRCHUBPEWBSQG-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB CCCNC(=O)c1nnsc1Sc1ccc(Cl)cc1 3105593 DKKLVLFNQPZSEF-UHFFFAOYSA-N 313.835 3.483 0 40 DGAB O=C(CSc1ncc(-c2ccccc2)o1)NCc1ccco1 58197682 TTYRPABUZNBEEU-UHFFFAOYSA-N 314.366 3.343 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)on1 44972438 XTSQGOGMTUACFC-SNVBAGLBSA-N 319.390 3.081 0 40 DGAB O=C(COC(=O)c1cccnc1Cl)NC1CCCCCCC1 3397217 NTNZLBZYTRKJJQ-UHFFFAOYSA-N 324.808 3.121 0 40 DGAB Cc1ccc(NC(=S)N(CCO)Cc2ccccc2)c(C)c1 3326974 ZDBCRURGYZGRJR-UHFFFAOYSA-N 314.454 3.495 0 40 DGAB NC(=O)c1ccccc1NCc1ccc(F)cc1Br 10940009 OGIZOXLDCYGEMM-UHFFFAOYSA-N 323.165 3.299 0 40 DGAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)NCc1cccs1 12796637 JSTIKEGQAARPQX-OLZOCXBDSA-N 318.442 3.112 0 40 DGAB Cc1nsc(N)c1C(=O)OCc1ncc(-c2ccccc2)o1 12893714 IWDNJHYXRWRAEP-UHFFFAOYSA-N 315.354 3.046 0 40 DGAB CCC[C@H](C)NC(=O)COC(=O)c1cc2ccccc2cc1O 3443254 VIUSJCLRWSTPRO-LBPRGKRZSA-N 315.369 3.007 0 40 DGAB CCNC(=O)C(=O)c1c(-c2ccc(C)cc2)cc2ccccn12 408674838 CYXYOTAFIKFDEV-UHFFFAOYSA-N 306.365 3.234 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1F)c1ccc2c(c1)CCC2 6354526 FXSYAMSJHRZYPX-UHFFFAOYSA-N 316.303 3.493 0 40 DGAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)COC1CCCC1 65592957 VYSIVEXOHSTVIF-UHFFFAOYSA-N 317.364 3.124 0 40 DGAB Cc1sc2nc(-c3cccnc3)nc(NCCCO)c2c1C 8777315 JVBSPAOCBXLLQR-UHFFFAOYSA-N 314.414 3.164 0 40 DGAB CN(C)[C@@H](CNC(=O)c1c(F)cccc1Cl)c1ccco1 6638339 QELAGBPEBHEWLI-LBPRGKRZSA-N 310.756 3.105 0 40 DGAB COc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@H](C)C3)c2c1 4812249 YXARWBMJFNHNLH-STQMWFEESA-N 300.402 3.337 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)SCc1ccccc1 7552882 OOMVUEZPOKEFMA-CYBMUJFWSA-N 303.431 3.297 0 40 DGAB Cc1nc(CCN[C@@H](C)c2nc3ccccc3n2C)cs1 91283124 HETDHJGZXWYDPE-NSHDSACASA-N 300.431 3.232 0 40 DGAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)on2)cc1 16705926 DGULKAYMZLFIQI-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB biogenic CC[C@H](C)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224820 BJYLTEQTBXTSPT-ZDUSSCGKSA-N 324.384 3.260 0 40 DGAB CC[C@H](CO)NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 70018605 VXIZINXISGHEGY-CYBMUJFWSA-N 315.373 3.075 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1 9478766 QLENXSQPNTXXPJ-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1cccs1 71870313 ZMIDPRJEAHSXEL-HNNXBMFYSA-N 317.458 3.395 0 40 DGAB Cc1ccc(-n2nc(C)c(NS(=O)(=O)CC(C)C)c2C)cc1 84174803 UQBFAPKMAWMHBZ-UHFFFAOYSA-N 321.446 3.195 0 40 DGAB COc1ccc(C(N)=O)cc1NCc1cc(-c2ccccc2)no1 72284949 AXKUCAJMNAMWSA-UHFFFAOYSA-N 323.352 3.061 0 40 DGAB CN(Cc1cccn1C)Cc1c(C2CC2)nc2sccn12 97033964 SCXMHDODOSBSOZ-UHFFFAOYSA-N 300.431 3.244 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cccc2cc[nH]c12)c1cccs1 97002854 IFUHSXAOGHUTQP-LBPRGKRZSA-N 314.366 3.175 0 40 DGAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1 84544361 YFIOWUNLCZBWLM-QZTJIDSGSA-N 301.430 3.454 0 40 DGAB CCN(C(=O)c1cc(Cl)nc(NC)c1)c1nc(C)cs1 74063453 CIWWJISSJCKCQU-UHFFFAOYSA-N 310.810 3.208 0 40 DGAB C[C@H](NC1CCN(C2CCCC2)CC1)[C@H](O)c1ccc(F)cc1 95968089 ULCJAOGYZDLYKO-LIRRHRJNSA-N 320.452 3.244 0 40 DGAB Cn1nccc1CNCc1cc(C(F)(F)F)ccc1Cl 95973514 OUBVCGWTEJORIH-UHFFFAOYSA-N 303.715 3.382 0 40 DGAB CC(=O)c1c(F)cccc1NC[C@@H]1CCN(CC(F)(F)F)C1 89265764 GHEUEDXEHWUXDW-NSHDSACASA-N 318.314 3.324 0 40 DGAB Cc1cc(CN(C)C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)no1 89601049 GEDJCFAHRJIEHH-LSDHHAIUSA-N 304.777 3.399 0 40 DGAB CCc1ccc2oc(C(=O)N[C@H](C(=O)O)C(C)C)c(C)c2c1 62714976 LBPVGPHOVKFGPS-AWEZNQCLSA-N 303.358 3.143 0 40 DGAB COC(=O)CSc1cc(C)nc(-c2cccc(Cl)c2)n1 73690238 PZXGNQKGKWJOJB-UHFFFAOYSA-N 308.790 3.371 0 40 DGAB O=C(NCC1(c2cccs2)CC1)Nc1ccc2c(c1)OCO2 38489681 KHHPCPMKSSSPAZ-UHFFFAOYSA-N 316.382 3.330 0 40 DGAB O=C(O)CNC(=O)c1sc2cc(Cl)ccc2c1Cl 37407906 GEFJDKVDUHGEKJ-UHFFFAOYSA-N 304.154 3.023 0 40 DGAB CN(CCc1ccncc1)Cc1c(C2CC2)nc2sccn12 183756416 PUSUHTCZBFPFOQ-UHFFFAOYSA-N 312.442 3.343 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2C)C1 48344941 NETOMWBLWZCCJP-CYJAXWMASA-N 314.473 3.437 0 40 DGAB O=C(CCc1cccc(Cl)c1)NCCn1ccnc1C1CC1 225567502 CHISEBOMWGPVLP-UHFFFAOYSA-N 317.820 3.163 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)CCc2cccc(Cl)c2)cc1 41466959 BPRKQYYGYRCMSG-QGZVFWFLSA-N 317.816 3.431 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCCCCC2)c(C)c1 223470271 SLELEAPAVZCRDU-UHFFFAOYSA-N 302.462 3.228 0 40 DGAB CC1(C)CC[C@H](NC(=O)Nc2cnns2)c2ccccc21 192356181 PXJOFLJCHFNZSH-LBPRGKRZSA-N 302.403 3.472 0 40 DGAB CCc1csc(-n2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)cn2)n1 328864001 BHDRWZWUGCZZFL-TXEJJXNPSA-N 318.446 3.294 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2)c(C)c1 224605732 CLVWHXBDOLJNBF-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB COc1ccc(NCc2n[nH]c(-c3ccc(OC)cc3)n2)cc1 40174465 UJBVOCCAVLIIRJ-UHFFFAOYSA-N 310.357 3.101 0 40 DGAB CCCO[C@@](C)(C(=O)Nc1ccc(OCCOC)cc1)C1CC1 225673049 FSDMFVCBWVCRLY-GOSISDBHSA-N 321.417 3.246 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)NCC1(SC)CC1 194994521 OOQNAWMPAGVABA-SNVBAGLBSA-N 312.410 3.090 0 40 DGAB CCc1ccccc1C(=O)N[C@H](CCO)c1ccc(OC)cc1 192440819 MDMMOTWXDJCIMC-GOSISDBHSA-N 313.397 3.111 0 40 DGAB Cn1cncc1CNc1cccc(-c2ccc3c(c2)CCO3)n1 97094815 MHLDZXRETZIHGS-UHFFFAOYSA-N 306.369 3.029 0 40 DGAB O=C([C@H]1CCCOC1)N(CC(F)F)c1cccc(Cl)c1 96460952 MJIJXGAMFNQLAY-JTQLQIEISA-N 303.736 3.365 0 40 DGAB CC(C)c1nn(C)c2sc(-c3nc([C@H]4CCOC4)no3)cc12 96462732 CGQVOOYRGPCOSE-VIFPVBQESA-N 318.402 3.312 0 40 DGAB C[C@@]1(C(=O)NCc2ccccc2)CC(c2cccc(F)c2)=NO1 96193017 VGCIBVBFVUDFNX-SFHVURJKSA-N 312.344 3.025 0 40 DGAB O=C(c1cccc(F)c1)N1CCC2(CC1)CC(N1CCCC1)C2 96159221 ZULNKAWVOKCULK-UHFFFAOYSA-N 316.420 3.306 0 40 DGAB CC(C)(C)OC(=O)NCC1(c2ccccc2Cl)CCNCC1 98213777 BHLQMYIYBUTVSA-UHFFFAOYSA-N 324.852 3.486 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1cccc(F)c1C 96098636 JQJKHUAKAGZLHW-UHFFFAOYSA-N 317.368 3.251 0 40 DGAB C[C@H](Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCCC1 96437331 MWQMZZYDWLOLTR-AWEZNQCLSA-N 311.385 3.297 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@H](CC)c2nccs2)s1 96447357 XETAMXQJPASHDO-LLVKDONJSA-N 324.475 3.455 0 40 DGAB CC[C@H]([C@H](N)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96524868 CQIYIBYSVHLNNL-IAGOWNOFSA-N 303.427 3.177 0 40 DGAB C[C@@H](C(=O)N1CCC(O)(c2cccc3cnccc23)CC1)C1CC1 585088331 WBKAVBDMEIRBNV-CQSZACIVSA-N 324.424 3.091 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(Cc2c(C)nc3sccn23)C1 257329079 XIHZYIMTJFABDO-CYBMUJFWSA-N 315.446 3.115 0 40 DGAB OCC[C@H](NCc1cc(Cl)ccc1OC(F)F)C(F)F 585116534 AATRWYGUBWMVRG-VIFPVBQESA-N 315.694 3.047 0 40 DGAB CCC(=O)N1CCC[C@@]1(C)c1nc(C)cc(C(F)(F)F)n1 257228383 FTPKVLRBOQVGCQ-ZDUSSCGKSA-N 301.312 3.051 0 40 DGAB O=C(COCC1CC1)N(CCc1ccccc1)Cc1ccncc1 69445116 OODSBAVHWBTVQU-UHFFFAOYSA-N 324.424 3.080 0 40 DGAB Cn1cc([C@H]2CN(C(=O)C3CCCCC3)Cc3ccccc32)cn1 585410191 XEYXDYPUMBBXDR-LJQANCHMSA-N 323.440 3.475 0 40 DGAB O=C(NCc1ccccc1Cl)C(=O)Nc1cccc(Cl)c1 5183985 VEUXABPPWUKIMS-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB COc1ccc(NCc2nnc3n2CCCCC3)cc1Cl 5223686 HYCVTKSOPPTSRO-UHFFFAOYSA-N 306.797 3.279 0 40 DGAB Cc1nnc(SCc2cc(O)n(-c3ccc(F)cc3)n2)s1 14162644 SKNCXHXKTMCRNE-UHFFFAOYSA-N 322.390 3.169 0 40 DGAB CCC1=NN(C(=O)c2ccccc2)[C@](O)(c2ccc(OC)cc2)C1 68256 RIFZEAXSOLRWMP-LJQANCHMSA-N 324.380 3.152 0 40 DGAB COc1ccc(C(N)=O)cc1OC(=O)c1cccc2ccccc12 226364933 FNHPGPKAAVGTHV-UHFFFAOYSA-N 321.332 3.167 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)c1ncnc2c1CCCC2 1888860488 NKXSVCOJRIHAOM-UHFFFAOYSA-N 305.740 3.400 0 40 DGAB COc1ccccc1N1CCN(c2nc3ccccc3o2)CC1 13736426 SDQSWBVZTABORA-UHFFFAOYSA-N 309.369 3.163 0 40 DGAB Cc1ccccc1NC(=O)N1CC[C@@H]2CN(c3ccccn3)C[C@@H]21 1889145826 VTGZQUVQCXIJNV-WBVHZDCISA-N 322.412 3.133 0 40 DGAB Clc1cccc(CN2CCC(COc3cnccn3)CC2)c1 1849653731 DBTJUDCEFKTFHG-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCc3ccccc3C2)c1C 37181237 RQRTWPIQJRMQCK-AWEZNQCLSA-N 324.424 3.464 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1nc(C)cc(-c2nc(C)cs2)n1 2037666393 FIQHVRVZWDNHSZ-CQSZACIVSA-N 316.430 3.290 0 40 DGAB O=C(NCc1cccnc1)c1csc(Nc2ccccc2)n1 23136770 VJTHMEAIXNIWCG-UHFFFAOYSA-N 310.382 3.212 0 40 DGAB CO[C@H]1CNCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 34462678 UERXJDUECXDWNN-UXHICEINSA-N 310.441 3.066 0 40 DGAB Cc1cc(NC(=O)CNc2cc(Cl)ccc2Cl)no1 30285328 DRVWXZMDXYHRFS-UHFFFAOYSA-N 300.145 3.340 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2C(=O)Nc3ccccc32)C1 100130710 HXCXILHDJLTTKB-SWLSCSKDSA-N 316.401 3.369 0 40 DGAB in-vitro NC(=S)c1ccc(Sc2ccc(C(N)=S)s2)s1 20282070 ZPYRAXKLJYDCKN-UHFFFAOYSA-N 316.523 3.229 0 40 DGAB in-vitro CCOc1ccccc1N[C@H](C)C(=O)Nc1ccnn1C(C)C 40460237 LFWRXICBWWSLEQ-CYBMUJFWSA-N 316.405 3.302 0 40 DGAB Cc1ccc(OCC(=O)NCc2ccccc2)c2c1[C@H](C)CC2=O 11052452 NGUKJQMZDQDTCN-CQSZACIVSA-N 323.392 3.380 0 40 DGAB CC(C)c1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 31654299 WIJACKRZZKPHJY-UHFFFAOYSA-N 319.361 3.271 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCc2nc3ccccc3o2)c1C 8263957 YVYIKTHGHGFPMK-UHFFFAOYSA-N 312.325 3.332 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 11210712 QZDBHPUITNOYKJ-QGZVFWFLSA-N 309.365 3.354 0 40 DGAB CS(=O)(=O)N1CCS[C@H]1c1ccc(Cl)cc1Cl 796494 XLQMDPFTWNTLQZ-JTQLQIEISA-N 312.243 3.000 0 40 DGAB CCC(C)(C)NC(=O)[C@@H](C)[S@](=O)Cc1cc(C)ccc1C 69529693 DDPDXJGKHBNDOG-SZNDQCEHSA-N 309.475 3.245 0 40 DGAB CC(C)c1noc(CCCC(=O)NCCc2ccc(F)cc2)n1 40515700 BOOAXYDGBQSPPQ-UHFFFAOYSA-N 319.380 3.014 0 40 DGAB O=C(NCc1ccccc1)c1ccc(OC[C@@H]2CCCO2)cc1 3480406 ILIMMMILXIHNCA-SFHVURJKSA-N 311.381 3.174 0 40 DGAB CC(C)CCNC(=O)NC(=O)CSc1ccc(Cl)cc1 3515025 BEZMGRBBOXEYBS-UHFFFAOYSA-N 314.838 3.304 0 40 DGAB Cc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1 20662050 OCNWOEGHACQRMZ-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1c(C)noc1C 7409024 GWKNIMPRYDMJPF-UHFFFAOYSA-N 300.767 3.054 0 40 DGAB COc1ccc(C2=C[C@@H](c3ccco3)n3nc(C)nc3N2)cc1 8570203 GOWMMIJKUOHPAD-HNNXBMFYSA-N 308.341 3.244 0 40 DGAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCc1cccs1 100466986 LDSTYEMLHGTVDP-PBFPGSCMSA-N 306.475 3.169 0 40 DGAB Cc1ncc(Cl)c(C(=O)N[C@@H](c2ccccc2)C2CC2)n1 71916478 JEERGHBJQZOGDV-AWEZNQCLSA-N 301.777 3.320 0 40 DGAB C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cn2)C1=O 100162312 ZSLFTWJRUNIOKC-SMDDNHRTSA-N 314.772 3.418 0 40 DGAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1cccc(F)c1 32911499 GKZXFMVAQDEMFH-SFHVURJKSA-N 312.388 3.220 0 40 DGAB CCCCNC(=O)COC(=O)c1c(Cl)cccc1Cl 2635990 VOOQPEAZKLRKAS-UHFFFAOYSA-N 304.173 3.067 0 40 DGAB O=C(c1cc(-c2ccccc2)no1)N1CCO[C@H]2CCCC[C@@H]21 46481782 DNILEXXDZJEFBJ-HOTGVXAUSA-N 312.369 3.125 0 40 DGAB CCCCN1C(=O)/C(=C\c2ccc(O)c(OCC)c2)N=C1S 103259623 XJISTSFWFUTFOK-FMIVXFBMSA-N 320.414 3.060 0 40 DGAB CCOc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 101275144 MACYRRSGRWHFGT-INIZCTEOSA-N 324.380 3.138 0 40 DGAB CC(C)CCCNC(=O)[C@H](NC(=O)c1cccs1)C(C)C 23132759 QUVGBAJCGKQBAI-CQSZACIVSA-N 310.463 3.055 0 40 DGAB Brc1ccc(OC2CNC2)c(-c2ccccc2)c1 42769598 YELVSCGZHBWKFV-UHFFFAOYSA-N 304.187 3.467 0 40 DGAB in-vitro CC[C@H](C)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 20886583 YHLRIHZBELMHDO-MAUKXSAKSA-N 324.424 3.463 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)C1(c2ccccc2)CCOCC1 25300943 UIKQWHXQTJKOMK-HNNXBMFYSA-N 313.397 3.075 0 40 DGAB Cc1c(Cl)cccc1-n1ccnc1SCC(=O)N1CCC1 23075169 INGKLSLVCOHBDR-UHFFFAOYSA-N 321.833 3.159 0 40 DGAB O=C(COC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 3246758 XWGWNAJOJXTJQV-KRWDZBQOSA-N 309.365 3.037 0 40 DGAB CCC(CC)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58283271 OLXZAYQYRBVBGM-GFCCVEGCSA-N 310.388 3.344 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H](c2ccccc2)C2CC2)cc1 10677166 HWIGBCUWOVECSD-QGZVFWFLSA-N 317.410 3.125 0 40 DGAB CC1(C)CCCN(C(=O)C[C@H]2COC(=O)C2)c2ccccc21 89849486 DCVNVIXKKXPTIJ-CYBMUJFWSA-N 301.386 3.044 0 40 DGAB COC[C@H](C)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 3378683 QASMZYDRCFRPOK-JTQLQIEISA-N 308.403 3.274 0 40 DGAB COc1ccccc1S(=O)(=O)N(C)[C@H](C)c1ccccc1 48440415 OBJHLQMWMFVRFL-CYBMUJFWSA-N 305.399 3.077 0 40 DGAB COC(=O)CNc1nc(-c2ccccc2)c2cc(C)ccc2n1 3882278 SMYUBBTWFJSEKV-UHFFFAOYSA-N 307.353 3.190 0 40 DGAB Cc1ccc(-c2nc(CN3CCc4cncnc4C3)co2)c(C)c1 69652039 VOSWFSMKVYYCHN-UHFFFAOYSA-N 320.396 3.307 0 40 DGAB NC(=O)CSc1ncnc2cc(-c3ccc(F)cc3)sc12 5040030 SONZPFICYXKUKG-UHFFFAOYSA-N 319.386 3.075 0 40 DGAB CONC(=O)c1ccc(Oc2ccc(C(F)(F)F)cn2)cc1 17821953 DJYDDTSYWVRVKE-UHFFFAOYSA-N 312.247 3.184 0 40 DGAB COc1ccc(CCC(=O)N(C)Cc2ccccc2F)cc1 49929407 OQSDXMGUIULDKG-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB Cc1csc(=O)n1CCC(=O)N1CCCCC[C@@H]1C(C)(C)C 69902651 BIMVMFZAOGLXLP-CQSZACIVSA-N 324.490 3.426 0 40 DGAB CC1(C)CCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 65539305 IPGVFBPHUZNELC-INIZCTEOSA-N 303.402 3.259 0 40 DGAB COCCNC(=O)c1ccc(COc2ccc(C(C)C)cc2)o1 28575585 CIZRRPKFINGEBY-UHFFFAOYSA-N 317.385 3.358 0 40 DGAB Cc1ccc(SCCNC(=O)CCc2c(C)noc2C)cc1 14119431 CSCWVPIKKGSREJ-UHFFFAOYSA-N 318.442 3.441 0 40 DGAB CC(=O)c1cnn(-c2cc(N(C)c3ccccc3)nc(C)n2)c1C 5450739 HCPJYPNSBGEQKS-UHFFFAOYSA-N 321.384 3.250 0 40 DGAB COc1ccc(C(=O)N[C@@H]2CCCC[C@H]2C)c(OC)c1OC 6648772 QQNOQZHTSVRVFT-DGCLKSJQSA-N 307.390 3.021 0 40 DGAB O=C(Nc1cccc(NC(=O)c2cccs2)c1)c1cnccn1 5942011 AYWVBBVPBRZENC-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB Cc1cccc2nc(C(=O)OCc3cc(-c4ccco4)on3)cn12 7241029 KAVKLIHBVKFVRN-UHFFFAOYSA-N 323.308 3.248 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(-c3cc[nH]n3)c(O)c2)cc1 8845152 XTJQVZGHXRYNHY-UHFFFAOYSA-N 323.352 3.108 0 40 DGAB COc1ccccc1C(=O)COc1ccc(-c2nnco2)cc1 7433497 UPYBNOXAMLFGKQ-UHFFFAOYSA-N 310.309 3.007 0 40 DGAB CN(C)c1cnccc1NC(=O)[C@@H]1CCCc2sccc21 96011088 FVBYYCCIXCQWFM-GFCCVEGCSA-N 301.415 3.268 0 40 DGAB CCOCc1ccccc1NC(=O)NCc1ccccc1CO 69036388 MUPUAFSATORBSZ-UHFFFAOYSA-N 314.385 3.037 0 40 DGAB COCCN1CCC[C@@H]1COC(=O)/C=C/c1ccc(Cl)cc1 83902876 GWKBDGDXAAQSLI-YXMGTMDOSA-N 323.820 3.007 0 40 DGAB CCOCCC1(CNC(=O)N2CCCSCC2)CCCC1 89986875 RHSDLOCGKDSZJY-UHFFFAOYSA-N 314.495 3.122 0 40 DGAB CC[C@H](Sc1ccccc1)C(=O)N(CC)C[C@@H]1CCOC1 71896087 KOUBQTUJQYEDID-HOCLYGCPSA-N 307.459 3.442 0 40 DGAB Cn1cc([C@H]2C[C@@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cn1 71830409 ICCAVLQIHIIQCP-MOPGFXCFSA-N 323.440 3.005 0 40 DGAB Cc1cc(CS[C@@H](C)C(=O)N2CCc3ccccc32)no1 71818642 NQTDHIRMYHURMK-LBPRGKRZSA-N 302.399 3.194 0 40 DGAB c1ccc(Cc2nc(CN3CCc4cncnc4C3)cs2)cc1 72276633 MZQJBDSNRXYIAF-UHFFFAOYSA-N 322.437 3.082 0 40 DGAB COc1ccc(NC(=O)Nc2nnc(C(F)(F)F)s2)cc1 72282519 CBLQXAUVNMLBLX-UHFFFAOYSA-N 318.280 3.210 0 40 DGAB CO[C@@H](C)c1nc(Cn2c([C@H](C)O)nc3ccccc32)cs1 97082434 INULWCYHPFOHGJ-QWRGUYRKSA-N 317.414 3.302 0 40 DGAB Cc1nc(C(C)C)sc1[C@@H](C)NC[C@]1(O)CCSC1 97017193 SOJMWKMEIFQMMM-QMTHXVAHSA-N 300.493 3.094 0 40 DGAB Cc1ccsc1CNC(=O)Cn1ccnc1-c1cccs1 97231438 ZESMRYIOZRHPOJ-UHFFFAOYSA-N 317.439 3.298 0 40 DGAB Cc1cccc(OCCCN2CCC[C@H]2CN2CCCC2)c1 95394204 ZQAOBMFSSZJUJN-SFHVURJKSA-N 302.462 3.324 0 40 DGAB CNC(=O)c1ccc(OC)c(NCCSc2ccccc2)c1 95464734 HTMGNRUVEJTNDN-UHFFFAOYSA-N 316.426 3.259 0 40 DGAB C[C@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 95423305 YUSBSWRTCZQGOW-ZBEGNZNMSA-N 311.328 3.439 0 40 DGAB CN(Cc1ccncc1)[C@@H](c1ccc(F)cc1)c1ncccn1 95431942 IAFHYOBNVHAXHP-KRWDZBQOSA-N 308.360 3.232 0 40 DGAB Cc1cc(F)ccc1[C@@H](O)CN1CCN(C)c2ccccc2C1 95963074 GJWWFYNVIQYYGZ-IBGZPJMESA-N 314.404 3.120 0 40 DGAB COc1ccccc1[C@H](C)N(C)Cc1cc(C(N)=O)cs1 95982494 LPLQIADEKFZUSH-NSHDSACASA-N 304.415 3.049 0 40 DGAB CSc1ccc(NC(=O)NCCc2ccncc2)cc1F 89496591 NILCATYYPLLLDK-UHFFFAOYSA-N 305.378 3.307 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2)s1 89406864 PUUQALATPYFZTJ-NWDGAFQWSA-N 319.357 3.416 0 40 DGAB Cc1ccccc1-c1cc(NS(=O)(=O)c2ccccc2)n[nH]1 75094444 PAWZOVKHLUYGNU-UHFFFAOYSA-N 313.382 3.186 0 40 DGAB Cc1ncc(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)s1 86371466 MYGMTWFPUWSCBL-SNVBAGLBSA-N 305.403 3.480 0 40 DGAB COc1cccc(CCC(=O)N[C@@H]2CCCC[C@H]2C)c1OC 23293263 YRHURUXETVPOKU-UKRRQHHQSA-N 305.418 3.331 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccc(C)nc2)cc1 72211249 ZENCLMHRIHERJZ-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB CC(C)c1c(C(=O)N2C[C@H]3CC[C@H]2C3)cnn1-c1ccccn1 518295828 IZLJPYDOKHYJIY-KBPBESRZSA-N 310.401 3.015 0 40 DGAB COc1ccc(CCC(=O)NCCn2ccc3ccccc32)cc1 40819685 IFRZKKFHEOYNLT-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@H]2c1ccc2ncccc2c1 49544329 VDKFPBISOYXFSD-HNNXBMFYSA-N 310.382 3.393 0 40 DGAB C[C@](Br)(I)C(F)(F)F 72265608 PNBKFOZWPOGRCA-REOHCLBHSA-N 302.859 3.095 0 40 DGAB O=C(CCCc1ccccc1)N[C@@H]1CCN(Cc2ccccc2)C1 40107262 UPKORVHKLVWYLR-HXUWFJFHSA-N 322.452 3.400 0 40 DGAB O=C(NCCc1nc(-c2ccccc2)cs1)c1ccncc1 41569061 MQVPBXOKPHDPEW-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB COc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)cc1OC 226273397 UQHZUVLYACEVQP-LLVKDONJSA-N 301.342 3.009 0 40 DGAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1 225622186 JZMWHGYVMXCBDW-KRWDZBQOSA-N 323.389 3.074 0 40 DGAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)Nc1ccccc1 225733180 IHYJTHASUSVXLT-UHFFFAOYSA-N 312.756 3.294 0 40 DGAB O=S(=O)(c1ccccc1F)N1CC[C@H](c2ccccc2)C1 44225380 RPEUBNKAYOXIDM-AWEZNQCLSA-N 305.374 3.004 0 40 DGAB COc1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 44443084 RJTVCKXDIGQRQF-GOSISDBHSA-N 311.381 3.268 0 40 DGAB O=C(NCC[C@H](O)c1cccc(Cl)c1)NCc1cccs1 225613421 SEVMKNFSHYAUFL-AWEZNQCLSA-N 324.833 3.324 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1C 222822167 FIXCHPPIGKONEV-JKSUJKDBSA-N 314.458 3.109 0 40 DGAB Cn1c(=O)c(CN2CCCC[C@H]2C(F)F)cc2ccccc21 577960451 HVTPZKSZUPLGNP-HNNXBMFYSA-N 306.356 3.158 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)Cn1ccnc1C(C)C 97236134 BUCYYZKWFKREAE-AWEZNQCLSA-N 315.417 3.235 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 95436947 VISPBCRVSAADKV-INWMFGNUSA-N 322.474 3.249 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2cnc3ccccc3c2)C1 257285067 PFLYRPRGGQGKHB-CQSZACIVSA-N 320.396 3.053 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC(c3cnccn3)CC2)cc1 257319935 VUQWXHDVAHHILP-UHFFFAOYSA-N 319.412 3.246 0 40 DGAB Cc1nn(-c2ccccc2)c(NC(=O)COC(C)C)c1Cl 585125131 HWDLFEQPMFQHAI-UHFFFAOYSA-N 307.781 3.198 0 40 DGAB C[C@H]1C[C@H](C(=O)NCc2cn(C3CCC3)nn2)CC(C)(C)C1 585130185 KCKIZDQOLLROPX-STQMWFEESA-N 304.438 3.082 0 40 DGAB CN1C(=O)N(Cc2cccnc2)[C@H]2CC[C@@H](c3ccccc3)[C@H]21 257252228 JUACUTDGKXCOPZ-OKZBNKHCSA-N 307.397 3.264 0 40 DGAB COc1cc(NC(=O)CCc2ccsc2)ccc1NC(C)=O 44773861 FMQZQACNCNKWLW-UHFFFAOYSA-N 318.398 3.286 0 40 DGAB CCN(CC)C(=O)NCCC(=O)Nc1ccc(C)cc1Cl 67461025 LFWSJAZGEZDBRR-UHFFFAOYSA-N 311.813 3.028 0 40 DGAB c1ccc(N2C[C@@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1 550318444 VQNCRDINFIVCLK-HZPDHXFCSA-N 316.408 3.202 0 40 DGAB N#Cc1cn(-c2ccc(C(=O)O)c(O)c2)c2cc(F)c(F)cc12 113276841 XOTXQKAIMHHNNN-UHFFFAOYSA-N 314.247 3.184 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]2CCC[C@H]1CC(O)(C(F)(F)F)C2 1772715233 DAHJKHOLDPVLBZ-UWVGGRQHSA-N 309.328 3.232 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2cnc3ccccc3c2)cc1 12754784 LHXSELZASFTRPR-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB CCOc1ccc(C(=O)NCc2ccc(OC)c(OC)c2)cc1 17298757 ZEHRTXYPBNUNFP-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB Cn1cc(C(=O)Nc2ccncc2)c(-c2ccccc2Cl)n1 108768502 NKTGQYOFVWWPGC-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB COc1cc(NC(=O)c2cccs2)cc2sc(N)nc12 226311142 OFWCDLQBJQIRJF-UHFFFAOYSA-N 305.384 3.201 0 40 DGAB CC(=O)c1ccccc1OCCOc1cccc2c1CCC2=O 10198096 DMFHMDCNVMXKHF-UHFFFAOYSA-N 310.349 3.476 0 40 DGAB Cc1ccccc1NC(=O)N1CC[C@H]2CN(c3ccccn3)C[C@H]21 1889145823 VTGZQUVQCXIJNV-DOTOQJQBSA-N 322.412 3.133 0 40 DGAB O=C(CN1CCN(c2ccccc2)CC1)c1ccc(Cl)s1 35020527 MSARJTQOHQHJRP-UHFFFAOYSA-N 320.845 3.406 0 40 DGAB CCOC(=O)c1cc(-c2ccc(Br)cc2F)on1 260240245 MWXSFQRATKCAKB-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB COc1cc2c(cc1OC)[C@H](C(Cl)(Cl)Cl)OC2=O 74590 QJPNVXXOEPWFHJ-SECBINFHSA-N 311.548 3.286 0 40 DGAB CNC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCC2 4348729 IYULSHNASYMGJX-UHFFFAOYSA-N 314.410 3.239 0 40 DGAB O=C1NCCCC[C@@H]1N(Cc1ccccc1)Cc1ccccc1 38635483 BRAYCQJGMBISSA-IBGZPJMESA-N 308.425 3.358 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccccc1I 40095985 ILFAMVFUPGELQL-MRVPVSSYSA-N 318.158 3.211 0 40 DGAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCOc2ccccc21 40086135 AWCIBBDUUVQODZ-OAHLLOKOSA-N 322.408 3.253 0 40 DGAB COc1ccc(CNCc2ccc(Br)cc2)cn1 20185960 PXXOUTWRYUXVCX-UHFFFAOYSA-N 307.191 3.143 0 40 DGAB O=C(Nc1nc(COc2ccccc2)cs1)c1ccncc1 92080 QPSVBSLAZUMHEE-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB CCCC[C@@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(=O)O 1705153 NNCDGIJFFKOTHG-CZUORRHYSA-N 309.431 3.154 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 1987273 BHLHXNHDQBIIRT-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB COc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 2684721 QVCITOQBLWTADN-UHFFFAOYSA-N 316.382 3.275 0 40 DGAB O=C(Nc1ncnc2sc3c(c12)CCCC3)C(F)(F)F 3271120 MONFWSYZZHNLJE-UHFFFAOYSA-N 301.293 3.071 0 40 DGAB C[C@H]1C=CCC[C@H]1COC(=O)C(=O)OC[C@@H]1CC=CC[C@H]1C 4933497 RNKIHWNYGOGDOP-UGUYLWEFSA-N 306.402 3.277 0 40 DGAB O=C([C@H]1CCOC1)N1CCC[C@H]1c1ccccc1C(F)(F)F 69530118 QIMDHLTXEJYVLV-FZMZJTMJSA-N 313.319 3.405 0 40 DGAB C[C@@H](OCCCNC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 32907555 GOWDLUNUFPOLSK-CQSZACIVSA-N 323.396 3.461 0 40 DGAB NC(=O)Nc1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cc1 32903247 DZJZSHMOXGSZPA-UHFFFAOYSA-N 323.396 3.237 0 40 DGAB COC(=O)c1ccc(COC(=O)c2ccc3ncsc3c2)o1 2644675 HROGFPAAKIQJJP-UHFFFAOYSA-N 317.322 3.033 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)Cc1cccc2cccnc12 42047406 JPKDPDKTFCGDSV-UHFFFAOYSA-N 309.369 3.041 0 40 DGAB CCn1c(C(=O)NC[C@@H](O)c2ccccc2)cc2ccccc21 53791138 YJSOMRUAPBSCPN-GOSISDBHSA-N 308.381 3.125 0 40 DGAB Cc1nc(CN[C@H](c2ccc(F)cc2)c2nccn2C)cs1 42203810 GZLZMKALLQQFOI-OAHLLOKOSA-N 316.405 3.203 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 12348861 PLVPAPVVUJLIPF-INIZCTEOSA-N 302.443 3.398 0 40 DGAB C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cncn2)cc1 104649567 BQUCIFFUPMZVGL-NXNVCVFFSA-N 324.428 3.271 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 106512633 ZLQQQSKRCUJXEJ-JQFCIGGWSA-N 318.417 3.109 0 40 DGAB COC(=O)CSc1ncc2c(n1)-c1cc(C)ccc1SC2 1403605 VGYMXKYPOZAVJY-UHFFFAOYSA-N 318.423 3.323 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)Nc2cnn(C)c2)c1C 25308471 FAXLPCHODLQBQV-UHFFFAOYSA-N 300.387 3.141 0 40 DGAB C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2c(=O)[nH]1)C1CC1 56183041 GAYXXVGCFMYSJE-GFCCVEGCSA-N 322.364 3.487 0 40 DGAB Cc1nc2ccc(C(=O)Nc3nc4c(s3)CCC4)cc2nc1C 43764973 GFNIRXUWJZOVMA-UHFFFAOYSA-N 324.409 3.444 0 40 DGAB Oc1ccc(C2=CCN(Cc3nc(-c4ccco4)no3)CC2)cc1 44073978 XYXYRAWUPOJJNK-UHFFFAOYSA-N 323.352 3.325 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3n2C)no1 57358229 BDUAZYUMVREILM-INIZCTEOSA-N 324.384 3.237 0 40 DGAB CSCC[C@@H](NC(C)=O)C(=O)Oc1cccc2ccccc12 111432825 FGHRSVXVKOEYHM-OAHLLOKOSA-N 317.410 3.003 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1 44633718 JZURHHIWDZAHJW-SFHVURJKSA-N 310.397 3.378 0 40 DGAB O=C(Nc1ccncc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10126258 GPYKKDIIINLABJ-UHFFFAOYSA-N 322.343 3.147 0 40 DGAB O=C(CC(F)(F)F)Nc1cccc(OC[C@H]2CCCO2)c1 44847596 NYJGJVMVMNESKN-GFCCVEGCSA-N 303.280 3.135 0 40 DGAB COC(=O)c1ccc(CSc2nnc(-c3ccco3)o2)cc1 3248210 ZDRMVQMUMHCYBZ-UHFFFAOYSA-N 316.338 3.409 0 40 DGAB CC[C@H](C)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58306750 QQXWNIPXCRNBHT-ZDUSSCGKSA-N 308.385 3.083 0 40 DGAB CC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@H]1CCCCO1 58323789 ZNLIBVOAJZJPON-LSDHHAIUSA-N 321.417 3.387 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)Nc1c2c(nn1C)CCC2 58417524 JKWSFMIVQWYNMR-UHFFFAOYSA-N 324.359 3.157 0 40 DGAB O=C1C[C@H](C(=O)Nc2cccc(Cl)c2)c2ccccc2N1 10641867 BIQDFSFUQMTWNT-ZDUSSCGKSA-N 300.745 3.405 0 40 DGAB O=C(COC(=O)Cc1ccsc1)Nc1ccc(Cl)cc1 3316912 HGLJQMAWRWCCCV-UHFFFAOYSA-N 309.774 3.126 0 40 DGAB CCONC(=O)COc1ccc(Oc2ccc(C)cc2)cc1 12736425 ONOMFMXSQAIHAM-UHFFFAOYSA-N 301.342 3.234 0 40 DGAB C[C@@H](SC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 12883167 IRNYKDWDLFGDHB-MLGOLLRUSA-N 305.443 3.415 0 40 DGAB C[C@H]1CCCCN1C(=O)COC(=O)c1cccc2ccccc12 3438411 NQLNJZBZYJVURP-AWEZNQCLSA-N 311.381 3.398 0 40 DGAB CSc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1 12993278 NERXFPPDEZXHFL-UHFFFAOYSA-N 320.439 3.229 0 40 DGAB C[C@H](NC(=O)CSc1ccccc1C(=O)O)c1cccs1 12978338 KFLMVIJOTVAHIH-JTQLQIEISA-N 321.423 3.416 0 40 DGAB COc1ccc(CC[C@H](C)NC(=O)N(C)Cc2ccco2)cc1 62932691 RBLGYBVGRPJSOD-AWEZNQCLSA-N 316.401 3.451 0 40 DGAB C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(Cl)cc1Cl 49525130 JQUXKRQGIWFAIL-VIFPVBQESA-N 311.168 3.118 0 40 DGAB C[C@@H](NCCCc1nc(-c2cccs2)no1)c1cccnc1 69485132 TYKZFTYKSNWKDC-GFCCVEGCSA-N 314.414 3.477 0 40 DGAB Cc1cccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)n1 27936695 PVIUGLHBTZDRFN-UHFFFAOYSA-N 324.306 3.121 0 40 DGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CCCC2 6668205 WBBPHNRIFMXEQZ-HUUCEWRRSA-N 301.386 3.395 0 40 DGAB O=C(CCc1ccccc1)NC[C@H](c1ccco1)N1CCCC1 5704782 YGLHDGFCOVKXFC-QGZVFWFLSA-N 312.413 3.166 0 40 DGAB CN(Cc1ccc(F)cc1)S(=O)(=O)/C=C/c1ccccc1 7248973 YNXZSXMBPZNGJT-VAWYXSNFSA-N 305.374 3.258 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)N(C)CC2CCCCC2)c1 71186147 BVIOHVYXFGZPFU-UHFFFAOYSA-N 317.433 3.432 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(C)c(OC)c2)c(OC)c1 9112479 XHUPJGDANLXBMN-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB CCCNc1nc(Nc2ccc(F)cc2)c2cnn(C)c2n1 9273278 MAPONULSSUPEFT-UHFFFAOYSA-N 300.341 3.068 0 40 DGAB Cc1nc(SCn2nnc3ccccc32)c2ccccc2n1 9227599 BOZYBEQQMPMELR-UHFFFAOYSA-N 307.382 3.433 0 40 DGAB Cc1cc(Cl)c(C(=O)N[C@H](C)CCN2CCCC2=O)cc1C 96004456 VTXVOSXYLUTGGG-CYBMUJFWSA-N 322.836 3.088 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)Nc2cc(C)on2)cc1 71810895 FFIVLNLCBAAVFR-CQSZACIVSA-N 301.346 3.361 0 40 DGAB CC(C)c1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccccc1 71818092 ZCWCDYBUCRUSGY-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB COCC(=O)N1CCC[C@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288562 QRCVXULKQFMIPC-AWEZNQCLSA-N 319.792 3.040 0 40 DGAB C[C@H](CNC(=O)C(C)(C)Oc1ccc(Cl)cc1)C[C@@H](C)O 72293650 JAFJMOUOYGAKJZ-NWDGAFQWSA-N 313.825 3.021 0 40 DGAB CCC(CC)[C@H]1C[C@@H](NC(=O)N(C)Cc2cccnc2)CCO1 97048368 BTGSCPWJIZBMOR-DLBZAZTESA-N 319.449 3.207 0 40 DGAB COc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1OC 72331533 MMVOZVQVCZTWTM-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB COc1cccc2c1ccn2CCNC(=O)CCc1ccccc1 72402275 QCGXCMSGSPHWCC-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)N1CC[C@H](CCO)C1 84522257 DSVGVTKPBACROQ-QGZVFWFLSA-N 323.436 3.440 0 40 DGAB CC[C@@H](NCCc1ccc2c(c1)OCO2)c1c(C)nn(C)c1C 95419496 VTTURUCFFDCNND-OAHLLOKOSA-N 315.417 3.049 0 40 DGAB O=c1cc(CN2C[C@H]3CCCC[C@@]32c2ccccc2)occ1O 95426350 FBOWZYBKCSQSRU-DNVCBOLYSA-N 311.381 3.247 0 40 DGAB CC[C@@H](NC(=O)c1ccc[nH]1)c1nc(C(F)(F)F)cs1 73278316 DNVDEOYQCFBYCI-SSDOTTSWSA-N 303.309 3.371 0 40 DGAB C[C@H](NC(=O)C[C@H](C)C1CC1)c1ccc2c(c1)CCC(=O)N2 95955480 IOLODQPZQAGNIT-RYUDHWBXSA-N 300.402 3.185 0 40 DGAB CSc1ccc(CNC(=O)N[C@H](C)C2CCOCC2)cc1C 95966522 SMAXRAQJARXMLU-CYBMUJFWSA-N 322.474 3.331 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)Cc1cc(C)on1)CCS2 74587569 XSVKHBQIHRSENU-CQSZACIVSA-N 302.399 3.187 0 40 DGAB Cc1ccccc1NC(=O)C(=O)NCc1ccc(C(C)C)cc1 408706637 BLLKZCASHBNCGX-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB COCCc1noc(CN2[C@H](c3ccccc3)CCC[C@H]2C)n1 75109059 ISLWXGMAOYUMJN-ZBFHGGJFSA-N 315.417 3.374 0 40 DGAB Cc1cccc([C@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 507213843 PPAFXYMMINFDJR-FUHWJXTLSA-N 315.461 3.326 0 40 DGAB c1ccc(-n2ncc3c2CCC[C@H]3NCc2cccnc2)cc1 72243076 PLYVSZKSAQWLSA-GOSISDBHSA-N 304.397 3.435 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(c2ccc(F)cc2)CC1 41542058 ISDMYFCKXDRXJC-UHFFFAOYSA-N 308.397 3.053 0 40 DGAB CCc1nc(CNc2ncccc2-c2nc(C)no2)cs1 195575252 KQQXWCNCFDKKAJ-UHFFFAOYSA-N 301.375 3.071 0 40 DGAB CCOC[C@H](O)CSc1ncc(C(F)(F)F)cc1Cl 193782350 JDAWWYREYUAVGL-QMMMGPOBSA-N 315.744 3.243 0 40 DGAB CC[C@@H](C)c1ccc(O[C@@H]2CN[C@H](C(=O)OC)C2)c(Cl)c1 42783114 NKLWJNRHKHGBRR-OSMZGAPFSA-N 311.809 3.136 0 40 DGAB Fc1cccc(CNC(=S)Nc2ccc3c(c2)OCO3)c1 225836692 UNEUPMKQRKQODE-UHFFFAOYSA-N 304.346 3.041 0 40 DGAB CCc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)cc1 225741134 ZTJQSNJHYAGCIK-UHFFFAOYSA-N 321.380 3.158 0 40 DGAB CCc1ccccc1CC(=O)N(Cc1nnc(C)o1)C(C)(C)C 225529640 KDKYRRLJQARSQT-UHFFFAOYSA-N 315.417 3.310 0 40 DGAB C[C@H]1C[C@H]2CN(C(=O)Cc3csc4ccccc34)CC[C@H]2O1 96043631 KWIKUALLIFEMTE-HEHGZKQESA-N 315.438 3.470 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)Cc1noc2ccccc12 96445058 SPXZAOTVJUKEIO-QGZVFWFLSA-N 323.396 3.463 0 40 DGAB CC(C)(C)[S@@](=O)CCNC(=O)Nc1cccc(C(F)F)c1 96434476 LZIKZXQYBVPCCA-OAQYLSRUSA-N 318.389 3.293 0 40 DGAB COc1ccc2c(c1)CCN(c1ccc(F)cc1)[C@@H]2C(=O)O 95743873 GGONKEAAHKUABZ-INIZCTEOSA-N 301.317 3.023 0 40 DGAB COc1ccc(-c2cnn3c(-c4ccccn4)ccnc23)cc1 95472396 JVODFHRMJYFGQE-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB CCOC(=O)c1cnc(-c2ccncc2)nc1-c1ccccc1 95725646 AHFBQOMTYUKAQM-UHFFFAOYSA-N 305.337 3.382 0 40 DGAB CN1Cc2ccccc2CC2(CCN(Cc3ccco3)CC2)C1=O 96161294 XMWQJOYMIWYNAB-UHFFFAOYSA-N 324.424 3.077 0 40 DGAB CC(C)[C@@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCS1 96432256 RMOSYHJQOYVQOG-INIZCTEOSA-N 315.442 3.086 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCO[C@H]2CCCC[C@H]21 41110736 GVGZZFIAHVDCJN-CVEARBPZSA-N 312.369 3.125 0 40 DGAB O=C(CCNC1(c2ccncc2)CCC1)Nc1cccc(F)c1 585116049 FPOYCIGTSPLUKB-UHFFFAOYSA-N 313.376 3.218 0 40 DGAB O=C(Nc1c(F)cccc1F)N1CCC(Cn2cccn2)CC1 85436390 PBXUHLBQNGXCLH-UHFFFAOYSA-N 320.343 3.105 0 40 DGAB CC[C@H](C(=O)N[C@H](CO)c1cccc(F)c1)c1ccccc1 390834495 ZTXLCIMNEPYUJK-DLBZAZTESA-N 301.361 3.169 0 40 DGAB O=C(O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ncn2)cc1 96327358 VWTUTWRNJIMOBH-UHFFFAOYSA-N 320.304 3.207 0 40 DGAB Cc1c(C(=O)N(C)Cc2ccc(C(F)(F)F)cc2)cnn1C 54455414 DBDJJMRNFGEBPI-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB C[C@@H](NCc1c[nH]nc1-c1cccs1)[C@@H](C)n1cccn1 69368643 ZVSWDFXKYJTFKU-VXGBXAGGSA-N 301.419 3.074 0 40 DGAB Cc1nnc([C@@H](C)N2CCC(COc3ccccc3)CC2)o1 69607452 QYHLZTASWSJAIQ-CYBMUJFWSA-N 301.390 3.230 0 40 DGAB Cc1noc(C)c1CC(=O)N(CCc1cccs1)C1CC1 96120301 RSDDXFGBSDIHPE-UHFFFAOYSA-N 304.415 3.129 0 40 DGAB OC1CCN(Cc2ccc(CNC[C@@H]3CC=CCC3)cc2)CC1 97020820 MZJJZPGIBUAAST-QGZVFWFLSA-N 314.473 3.089 0 40 DGAB COC(=O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98210745 NDTGAQGWQCGPRI-VIFPVBQESA-N 318.169 3.277 0 40 DGAB CC(=O)c1c(F)cccc1NCc1nncn1-c1ccccc1 91429909 ZYEMGXWAUFAVBF-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB CN(C)c1ccc(CC[C@H](N)c2ccc3c(c2)OCCO3)cc1 5797802 JGZGRFYTFFHQKF-KRWDZBQOSA-N 312.413 3.156 0 40 DGAB CC(C)Oc1ccc(C(=O)NCCN(C)c2ccccc2)cc1 12611603 AUNVQKSUROQTPJ-UHFFFAOYSA-N 312.413 3.340 0 40 DGAB COc1ccccc1CNC(=O)Cc1ccc(-n2cccc2)cc1 36398212 IXGGZWMKHAWQGT-UHFFFAOYSA-N 320.392 3.345 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)Nc1nc2c(s1)CCC2 30891367 XZWDDXYOSRXKKM-LLVKDONJSA-N 302.399 3.176 0 40 DGAB Cc1cnc(N2CC[C@@H]3OCCC[C@H]3C2)c(Br)c1 248667064 PBPWLPRCTUBDEE-AAEUAGOBSA-N 311.223 3.158 0 40 DGAB COc1ccc(C(=O)Nc2nnc(CC(C)C)s2)cc1OC 73983 DTNMKVNKMBKZAJ-UHFFFAOYSA-N 321.402 3.006 0 40 DGAB COc1ccc(CCc2cc(OC)c(O)c(OC)c2)cc1OC 15113682 YUHRVKGYFHPWRI-UHFFFAOYSA-N 318.369 3.212 0 40 DGAB biogenic,in-vitro Cc1ccc(CN(C)CCCc2nnnn2-c2ccccc2)cc1 40153465 HVOXPOSHTCCKHH-UHFFFAOYSA-N 321.428 3.035 0 40 DGAB C[C@H]1CN(c2ncnc3c(Br)cccc23)C[C@@H](C)O1 40122905 NKWOOZYNQJBGKL-AOOOYVTPSA-N 322.206 3.006 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)cc1 30570218 JKGHFAYCTHMABZ-QGZVFWFLSA-N 311.385 3.273 0 40 DGAB O=C(Cc1cccc2cccnc12)N1CCc2sccc2C1 40489103 FNUBBSCLHOOVPG-UHFFFAOYSA-N 308.406 3.424 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C)cc1C 583235 LVZBYNIPUKOZRS-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=C(Nc1cc2c(oc1=O)CCCC2=O)c1ccc(Cl)cc1 1385273 WIHVGOXPGIDCEJ-UHFFFAOYSA-N 317.728 3.065 0 40 DGAB Cc1ccc2c(c1)c1ncn(CCc3ccccc3)c(=O)c1n2C 2348376 MBXKGQNCHMVPBD-UHFFFAOYSA-N 317.392 3.439 0 40 DGAB Cc1cc(NC(=O)c2noc3c2C[C@H](C(C)(C)C)CC3)no1 2498148 BGSNJBVRIOSWGY-SNVBAGLBSA-N 303.362 3.374 0 40 DGAB O=C(O)c1cccc(NC(=O)c2ccccc2Br)c1 3157972 VPUQSZRTXGYABQ-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB c1csc(-c2nnc(COc3ncnc4ccccc34)o2)c1 3443783 ODJBAWBRAJWIAE-UHFFFAOYSA-N 310.338 3.320 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1OC 3452950 CVNMFCIEDWUNCK-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB COc1cccc(NC(=O)C(=O)c2c(C)n(C)c3ccccc23)c1 4062619 PXYVWGDBWAGEAD-UHFFFAOYSA-N 322.364 3.317 0 40 DGAB O=C(Nc1nonc1-c1nc2ccccc2[nH]1)c1ccc(F)cc1 4632446 UJMPGDLDHZTBCM-UHFFFAOYSA-N 323.287 3.004 0 40 DGAB O=C(OCC(=O)N1CCc2ccccc21)c1cccc(Cl)c1 5112140 DXELCPIAOVTFAV-UHFFFAOYSA-N 315.756 3.086 0 40 DGAB O=C(COC(=O)C1CCCCC1)NCc1ccc(Cl)cc1 5505394 WIOSHENGFSSLFH-UHFFFAOYSA-N 309.793 3.080 0 40 DGAB CC(C)=CC(=O)O[C@@H](C)C(=O)Nc1ncc(Cl)cc1Cl 7651533 BZBYVYSAAIMWGI-QMMMGPOBSA-N 317.172 3.225 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccsc1 8349912 SCRWYWCTTXZNFQ-GFCCVEGCSA-N 312.398 3.162 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(Br)cc2C)no1 9157903 LWWZTKLSMYCENC-UHFFFAOYSA-N 324.178 3.105 0 40 DGAB C[C@@H](OC[C@H](O)CNCc1ccco1)c1ccc(Cl)cc1 9579358 KLNOGOPYBVDDRJ-IUODEOHRSA-N 309.793 3.161 0 40 DGAB Cc1cc2ccccc2n1CC(=O)OCC(=O)c1ccccc1 10621054 INXOUSXTPIQYFV-UHFFFAOYSA-N 307.349 3.376 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccccc2)c1C 12614884 CKHQDHLTSHVTKS-UHFFFAOYSA-N 314.385 3.080 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccc(Cl)cc2)c1 13937914 SAHKEEPVERSSNG-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB COc1ccc([C@H](NC(=O)[C@H]2CCCO2)c2ccccc2)cc1 14184303 DOSVRVXQIJUYGB-QZTJIDSGSA-N 311.381 3.080 0 40 DGAB CC(C)N1CCC(n2c(=S)[nH]c3ccccc3c2=O)CC1 15252707 WALHHXGEKSXBHN-UHFFFAOYSA-N 303.431 3.104 0 40 DGAB NC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1Cl 17481529 WGICDMVNZXHQCI-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB Cc1cc(SCC(=O)c2ccc(Cl)s2)n2ncnc2n1 19852286 KOHCZBNTNCFKRT-UHFFFAOYSA-N 324.818 3.123 0 40 DGAB CCc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c1 21140765 TYIUJNZBBAEKHR-UHFFFAOYSA-N 315.344 3.113 0 40 DGAB C[C@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccn1 23675464 MYVLQGOAUNKBJF-YJBOKZPZSA-N 322.408 3.325 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1ccc(C(F)(F)F)nc1O 25003791 MBAQXTLAQWWIEN-UHFFFAOYSA-N 318.201 3.337 0 40 DGAB Cc1cccnc1NC(=O)c1cc(Cl)c2c(c1)OCCCO2 27651442 HLVBRPXSOFUUKF-UHFFFAOYSA-N 318.760 3.457 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)[C@H]1C[C@H]1c1ccccc1 28226122 VTDDSQJCGCBMMU-KBPBESRZSA-N 322.393 3.342 0 40 DGAB O=C(Nc1cnn(COc2ccc(F)cc2Cl)c1)C1CC1 28228953 UZUPAOZQXIHKAV-UHFFFAOYSA-N 309.728 3.061 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)cc1C 32726851 ZPHRIUKKIIHIKQ-HNNXBMFYSA-N 312.369 3.140 0 40 DGAB Cc1cnc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)s1 32833278 FJCJTISTZVLVFE-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB CCc1nnc(NC(=O)c2csc(-c3ccc(C)o3)n2)s1 32922785 QHNPCRSZUTXAHB-UHFFFAOYSA-N 320.399 3.378 0 40 DGAB CC(C)c1noc(CCCC(=O)N2c3ccccc3C[C@H]2C)n1 40515622 MHQFYUHAQMIVKN-CYBMUJFWSA-N 313.401 3.494 0 40 DGAB CCc1noc([C@H]2CCCCN2C(=O)NC2CCCCC2)n1 41122732 FQIQNJTUYNYZRI-CYBMUJFWSA-N 306.410 3.201 0 40 DGAB CC(=O)Nc1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 41723877 ARLITQUMXNYIFT-VXGBXAGGSA-N 320.462 3.109 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccccc2Cl)C1=O 48520794 GCWDHOLHSFLRDS-FMIVXFBMSA-N 311.790 3.413 0 40 DGAB Cc1ccc(-c2csc3nc(-c4cnn(C)c4)[nH]c(=O)c23)cc1 54752610 COGOKJPMGTYXIK-UHFFFAOYSA-N 322.393 3.361 0 40 DGAB O=C(CNc1ccccc1-n1cccn1)N1CCCCCCC1 55850926 GLPHKTAMASQYER-UHFFFAOYSA-N 312.417 3.077 0 40 DGAB COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCC(C)C)cc1 58203291 ZVNHZCRMBCUHJQ-INIZCTEOSA-N 318.417 3.061 0 40 DGAB CC[C@H](C)[C@H](NC(=O)COC(C)C)c1nc2ccccc2[nH]1 58245433 HPHMKNZBEMPYIM-LRDDRELGSA-N 303.406 3.191 0 40 DGAB COCCN(Cc1ccncc1)C(=O)c1ccccc1SC 62018178 QVUBPSALYJHBFT-UHFFFAOYSA-N 316.426 3.092 0 40 DGAB CCOc1cccc2c1OCC(=O)N(c1cccc(OC)c1)C2 65184494 QXVNJFPHOGDRLY-UHFFFAOYSA-N 313.353 3.020 0 40 DGAB CN(C)[C@H](CNC(=O)C(C)(C)c1ccccc1F)c1ccco1 65605100 LLFKAOSDRWSFIM-OAHLLOKOSA-N 318.392 3.115 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1cc(F)ccc1F 68727048 YLELMIAYALRWMP-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-n3cnnc3)c2)s1 69416905 BIWVYXACUJAVNY-HUUCEWRRSA-N 324.409 3.379 0 40 DGAB C[C@H]1CN(Cc2csc(-c3ncccn3)n2)c2ccccc2O1 69657396 FAUZAQMMFRJXES-LBPRGKRZSA-N 324.409 3.388 0 40 DGAB Cc1c(-c2ccccc2)sc2ncn(Cc3ccno3)c(=O)c12 69773169 KOZYSFAAGTWRAQ-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB CCS[C@H]1CCCCN(Cc2nnc(-c3ccco3)o2)C1 69776169 MPBUTDMWCMDQJT-LBPRGKRZSA-N 307.419 3.437 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCO[C@@H]2CCC[C@@H]21 71823502 YMABBIVEYLMCEL-RBUKOAKNSA-N 324.424 3.174 0 40 DGAB CC(C)(C)c1ncc(C(=O)N2CCO[C@H]3CCCC[C@H]32)s1 71825494 RJXMMZCQONYCIZ-NEPJUHHUSA-N 308.447 3.224 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCc1ccccc1Cl 71880543 KEPSGZVQVMIMLN-ZWKOTPCHSA-N 320.864 3.358 0 40 DGAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 72235197 CHRLFBFBOCDBFZ-NSHDSACASA-N 324.837 3.087 0 40 DGAB CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2C)C1 72361704 ARYYEPWFDJRNBB-OAHLLOKOSA-N 311.385 3.303 0 40 DGAB Cc1ccccc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 72389921 PHZAFEFRMRWEBN-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB Cc1ncccc1C(=O)N1CCC(Sc2ccccn2)CC1 73116464 IVBSQCFBAVYOMK-UHFFFAOYSA-N 313.426 3.182 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1 78896890 BKRJJVALZOLBCU-DCGLDWPTSA-N 304.409 3.123 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)NCc2csc(C3CC3)n2)C1 78941651 ZMOGCBYRFHYZBW-CMPLNLGQSA-N 311.476 3.104 0 40 DGAB CC(C)=CC(=O)NCc1ccc(C(=O)NC(C)(C)C2CC2)cc1 80468305 MWRYJLXUIGTCIJ-UHFFFAOYSA-N 314.429 3.187 0 40 DGAB C[C@H](O)c1cccc(OCc2nccn2CC(F)(F)F)c1 84656276 HUZDXTAMGONILQ-JTQLQIEISA-N 300.280 3.078 0 40 DGAB Cc1[nH]c2c(C)cccc2c1CCN1C(=O)OC(C)(C)[C@]1(C)O 85409912 DIDZDDKXXKLUFJ-SFHVURJKSA-N 316.401 3.267 0 40 DGAB COc1cccc([C@H](C)N2CCN(Cc3cncs3)CC2)c1 93078561 HUGCFMTXFPOSQE-AWEZNQCLSA-N 317.458 3.031 0 40 DGAB NC(=O)[C@H](NCc1ccc(-c2cccnc2)cc1)c1ccccc1 95404438 ABXRVIGCKCPRAB-LJQANCHMSA-N 317.392 3.065 0 40 DGAB Cc1c(F)cccc1NC(=O)N(C)[C@H](C)C1CCN(C)CC1 95467135 UCFMFMMHAZYJHV-CYBMUJFWSA-N 307.413 3.328 0 40 DGAB COc1ccc2cc(NC(=O)c3[nH]nc4c3CCCC4)cnc2c1 95472720 HFXHQKLMVYAXBF-UHFFFAOYSA-N 322.368 3.098 0 40 DGAB Cc1nc(C)c(-c2nn3c(-c4ccco4)nnc3s2)s1 95478005 MMBRAKNJAOHRJA-UHFFFAOYSA-N 303.372 3.186 0 40 DGAB O=C(O)c1csc(/C=C/C(=O)c2cccc([N+](=O)[O-])c2)c1 95943452 NEOFDJYEJCIAPS-SNAWJCMRSA-N 303.295 3.251 0 40 DGAB Cc1ccsc1-c1nnc(NC(=O)c2ncoc2C(C)C)[nH]1 95959272 AVYJKTSAKMXPGH-UHFFFAOYSA-N 317.374 3.205 0 40 DGAB NC(=O)[C@H](Sc1ccncc1)c1cccc(Br)c1 95978043 OKINCQWKQGCQGK-GFCCVEGCSA-N 323.215 3.163 0 40 DGAB Cn1ncc2c1CN(Cc1cccs1)C[C@H]2COCC1CC1 96044632 MOWVBJBZAXMOAW-AWEZNQCLSA-N 317.458 3.008 0 40 DGAB COC(=O)NCc1ccc(NC(=O)C=C(C2CC2)C2CC2)cc1 96409248 DYXBRIATMPXBJY-UHFFFAOYSA-N 314.385 3.228 0 40 DGAB CN(CCc1ccncc1)C(=O)/C=C/c1ccnc2ccccc12 96410063 FADRFTZMPVNTQS-VOTSOKGWSA-N 317.392 3.344 0 40 DGAB COCc1csc(NC(=O)N[C@H]2CCc3ccccc32)n1 96435559 SKWHXSWWCRLEBX-ZDUSSCGKSA-N 303.387 3.099 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 96451423 BAKVSYRIUWYHGH-HZPDHXFCSA-N 320.458 3.439 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)CCc1ccsc1 96486109 BTJFPFGRQVUMOP-UHFFFAOYSA-N 310.419 3.065 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CCc1ccncc1 97162300 NQAUEZXVNWZBCZ-QGZVFWFLSA-N 324.424 3.259 0 40 DGAB CCCN(Cc1ccccc1)C(=O)CCOC[C@@H]1CCCO1 97326866 KFWNNKPYRFZPHS-KRWDZBQOSA-N 305.418 3.011 0 40 DGAB CC(C)(C)NCCNC(=O)c1ccccc1C(=O)c1ccccc1 97594147 SLFHIIFHTZDRCH-UHFFFAOYSA-N 324.424 3.036 0 40 DGAB CC(=O)N(C)C1CCN(C[C@H](C)c2cccc(Cl)c2)CC1 189808515 QZVDNSJSFVELJO-ZDUSSCGKSA-N 308.853 3.386 0 40 DGAB Cn1c(CSc2nncn2-c2ccccc2)nc2ccccc21 194659376 BLRBWULIXYLOEF-UHFFFAOYSA-N 321.409 3.446 0 40 DGAB Nc1nnc(-c2ccc(-c3ccc(Br)cc3)o2)o1 216746586 HZPVDORTDUWSOU-UHFFFAOYSA-N 306.119 3.341 0 40 DGAB CSC[C@](C)(O)CNC(=O)c1ccc(-c2ccsc2)cc1 225621395 XLHQWKVNCTYUPY-MRXNPFEDSA-N 321.467 3.259 0 40 DGAB CCCCOc1ccc(NC(=O)C(C)(C)Br)cn1 225880191 WUHJQUBIGACXID-UHFFFAOYSA-N 315.211 3.373 0 40 DGAB CCN(CC)c1ccc(N)cc1C(=O)N1C[C@H](C)C[C@@H](C)C1 226323943 HXKOVRJIDISJDF-ZIAGYGMSSA-N 303.450 3.233 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2cn(-c3ccc(F)cc3)cn2)C1 227115298 MJERHZWVKLNSOR-BETUJISGSA-N 301.365 3.130 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccnc(OCC3CC3)c2)c1 240068125 SIZUIMDCBDEZTF-UHFFFAOYSA-N 310.353 3.325 0 40 DGAB O=C(c1cc[nH]c1C1CC1)N(CCc1ccccc1)[C@@H]1CCOC1 252488004 IGVWPEQOILZTLZ-QGZVFWFLSA-N 324.424 3.366 0 40 DGAB CNc1nccc([C@H]2CCCCN2Cc2ccc(OC)cc2)n1 257220265 DKFFIMIDBABFCA-QGZVFWFLSA-N 312.417 3.254 0 40 DGAB COc1cccc(C(=O)N2CCC(C)(c3nccs3)CC2)c1 257286588 PMDQCXHHQNTXNC-UHFFFAOYSA-N 316.426 3.346 0 40 DGAB Cc1cccc(C(=O)NCC2CCN(CC(F)F)CC2)c1C 521394297 DWQSDDHNLUWZDW-UHFFFAOYSA-N 310.388 3.010 0 40 DGAB CCOC(=O)c1cccc(C(=O)C(F)(F)Br)c1 575362122 FBCYVHZIDJIHMX-UHFFFAOYSA-N 307.090 3.034 0 40 DGAB Cc1cccc([C@H](C)N2CCC(N3CCCOCC3)CC2)c1 585133507 KACHZIVCJQGZCV-KRWDZBQOSA-N 302.462 3.243 0 40 DGAB O=C1CCC[C@]2(CN(C3CCCCC3)C[C@@H]2c2ccccc2)N1 1615122652 QHDULVQITQCHMZ-UYAOXDASSA-N 312.457 3.457 0 40 DGAB FC(F)(F)c1ccnc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)n1 1776009074 TUMQPORDVKBZMC-QWRGUYRKSA-N 323.322 3.064 0 40 DGAB Cc1cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)ncn1 1888888150 FYOUPCYQUFORDD-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB Cc1cc(N2CC[C@@H](C(=O)NC(C)(C)C)C2)nc2ccccc12 2086864680 ABHKGFHFTAYEFK-CQSZACIVSA-N 311.429 3.284 0 40 DGAB COc1ccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)cc1 15462109 YJJIYWWSNZAAEW-SFHVURJKSA-N 310.397 3.471 0 40 DGAB O=c1n(CCSCc2ccccc2Cl)nc2ccccn12 28907364 UHVCHMIKKPFZSK-UHFFFAOYSA-N 319.817 3.083 0 40 DGAB O=C(Nc1ccccc1)c1cc(=O)c(OCc2ccccc2)co1 11856537 SERNIVMECZXIQZ-UHFFFAOYSA-N 321.332 3.471 0 40 DGAB CCO[C@@H](CC)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 69416488 TWAQIMZEXBPJFJ-INIZCTEOSA-N 316.401 3.124 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(F)ccc1F 57472231 FCLXFEMVFJJUPI-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB C[C@@]1(c2ccc(Cl)cc2)NC(=S)N(c2ccccc2)N1 59517826 WFJCQIQJPACWHC-OAHLLOKOSA-N 303.818 3.412 0 40 DGAB OC[C@@H](CNc1nc2ccccc2o1)Cc1ccc(F)cc1 51991929 YEIVFIHBEYTORX-CYBMUJFWSA-N 300.333 3.230 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@]3(C)CC[C@@H]21 8612450 HYTUXCLDWATLGA-BGJMDTOESA-N 300.398 3.091 0 40 DGAB CCCn1ccnc1SCCC(=O)Nc1ccccc1OC 32871134 BZYVAHBQIUQXMD-UHFFFAOYSA-N 319.430 3.423 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1oc2ccc(F)cc2c1C 52819789 VJFNZHGADGMRBC-CYBMUJFWSA-N 304.365 3.094 0 40 DGAB CCc1nnsc1C(=O)Nc1ccnn1C1CCCCC1 61054783 BZRUHVNGKRWJFW-UHFFFAOYSA-N 305.407 3.055 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)Cc1cccc(F)c1 7492364 OCSATKCROZOWPK-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1 23053305 DPCKTWYLBXIXQT-UHFFFAOYSA-N 301.411 3.348 0 40 DGAB CC(C)CCC(=O)NCc1cccc(NC(=O)N2CCCC2)c1 54348463 QYVGOUUWHMRJLZ-UHFFFAOYSA-N 317.433 3.367 0 40 DGAB NC(=O)Nc1cccc(C(=O)N[C@H](c2ccccc2)C2CC2)c1 24027379 SKSPJLXKXJSRHE-MRXNPFEDSA-N 309.369 3.058 0 40 DGAB CS[C@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 43037587 XWQCPDTWIQQJRO-NEPJUHHUSA-N 304.415 3.285 0 40 DGAB O=c1c(Cl)c(N2CCCCC2)cnn1-c1ccc(F)cc1 1392458 IZSNDDPSBVPGAB-UHFFFAOYSA-N 307.756 3.015 0 40 DGAB Cc1cccc(C)c1NC(=O)CCn1cc(Br)cn1 28238204 MAYIFNQZAAEPJD-UHFFFAOYSA-N 322.206 3.291 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1nc(-c2ccccc2)oc1C 25467183 QLFRFGZLDYAGEQ-UHFFFAOYSA-N 310.357 3.253 0 40 DGAB CC(=O)c1ccc(Nc2c(C)n(C)n(-c3ccccc3)c2=O)cc1 3372955 QTWITAAHGCXTHH-UHFFFAOYSA-N 321.380 3.431 0 40 DGAB Cc1ccc(C(C)C)c(OC(=O)c2nc3nccc(C)n3n2)c1 3368817 ZSVJAEXESTVJKN-UHFFFAOYSA-N 310.357 3.084 0 40 DGAB C[C@H](NC(=O)CC(=O)N[C@@H](C)c1ccccc1)c1ccccc1 2279279 MIDRZCZSDLTAPX-GJZGRUSLSA-N 310.397 3.131 0 40 DGAB COc1ccccc1OCc1csc(-c2cnn(C)c2)n1 48313363 XZBPZCVOSZJYDI-UHFFFAOYSA-N 301.371 3.131 0 40 DGAB CN(CCNC(=O)/C=C/c1c(Cl)cccc1Cl)C1CC1 48341648 KOPBNTAWUAWVLP-BQYQJAHWSA-N 313.228 3.217 0 40 DGAB O=C(Cn1c(=O)cnc2ccccc21)C12CC3CC(CC(C3)C1)C2 12985799 BTPDPXLAOHGAOJ-UHFFFAOYSA-N 322.408 3.182 0 40 DGAB Cc1cc(OCC(=O)Nc2ccccn2)ccc1Br 13897573 ZBZPLMWOJAPFEF-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 65462786 BMINBGWQPLHNML-YRGRVCCFSA-N 309.841 3.146 0 40 DGAB CCC[C@@H](C)N(C)C(=O)CCN(Cc1ccccc1)C(C)=O 65591448 XOLJRZDIGRGCBV-OAHLLOKOSA-N 304.434 3.072 0 40 DGAB Cc1nnc(COC(=O)c2cc3c(s2)CCCCCC3)o1 24919210 YLOBFIHLSBKBIF-UHFFFAOYSA-N 306.387 3.456 0 40 DGAB Cc1ccc(NC(=O)N2CCc3ccc(O)cc3C2)c(F)c1 69628871 QYNUHNGPNHCCPL-UHFFFAOYSA-N 300.333 3.430 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N1CCC(Cc2ccccc2)CC1 29514707 XEZQVTFRHLVZIX-UHFFFAOYSA-N 311.429 3.132 0 40 DGAB O=C1N=C(Nc2cccc(Cl)c2)N2Cc3ccccc3C[C@@H]12 14201615 CYYIDVKQAAGYNY-HNNXBMFYSA-N 311.772 3.075 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)cc1 14573983 XCWHZWLCCCBRJN-SNVBAGLBSA-N 318.323 3.414 0 40 DGAB CN(C)[C@@H](CNc1ncnc2sccc12)Cc1ccccc1 15128906 NSRJNKGSEVLFPI-CQSZACIVSA-N 312.442 3.276 0 40 DGAB Cn1cc(C(=O)Nc2c(F)cccc2F)c(=O)c2ccccc21 22234154 LCYYSGHBANOBCK-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB Nc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1 9356467 BFVPJKFVPRRHEU-UHFFFAOYSA-N 316.304 3.088 0 40 DGAB COc1ccc2c(CC(=O)N[C@H](C)c3ccccn3)coc2c1 9314127 SLEUGSJRTRBEOT-GFCCVEGCSA-N 310.353 3.256 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)Cc1cccs1 75602130 FTJCBJCIHRMDPG-GFCCVEGCSA-N 323.849 3.350 0 40 DGAB C[C@H](Nc1cccc(CN2CCOCC2)c1)c1ccc(F)cn1 97038035 JOHNBGMIHJMTGT-AWEZNQCLSA-N 315.392 3.226 0 40 DGAB CCc1noc(CC)c1CNC(=O)Nc1cc(C)cc(C)n1 97143035 OBOYRTFUSSMYHV-UHFFFAOYSA-N 302.378 3.133 0 40 DGAB C[C@H](NCc1csc(C(C)(C)C)n1)c1nnc2n1CCCC2 84668013 GIQLCJFKPKXUFX-NSHDSACASA-N 319.478 3.219 0 40 DGAB CCSc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 72952114 NSXUJZLJYFFJMT-CABCVRRESA-N 319.474 3.499 0 40 DGAB Cc1cc(C(F)(F)F)nc(N(C)Cc2c(C)noc2C)n1 95469187 YNNMPQNOVZSVLX-UHFFFAOYSA-N 300.284 3.045 0 40 DGAB CC[C@@H](C)NC(=O)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 95421000 YZXIISCNJBDBFX-ZJUUUORDSA-N 302.340 3.059 0 40 DGAB CC(=O)Nc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1 95451991 UTTFNTPTIHKPSW-UHFFFAOYSA-N 310.397 3.396 0 40 DGAB CC(C)Cn1cc(NC(=O)NC(C)(C)c2nccs2)cn1 78938247 OYCFXHKFAXWCMQ-UHFFFAOYSA-N 307.423 3.052 0 40 DGAB COc1cccc(NC(=S)Nc2ccc3ncncc3c2)c1 408976679 SCXKOLLDDWIBND-UHFFFAOYSA-N 310.382 3.447 0 40 DGAB CCC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 72362184 AKACWMSYCVXVNO-AWEZNQCLSA-N 311.385 3.385 0 40 DGAB Cc1ccc(F)cc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 79310429 LQNFMANFOLBUOZ-INIZCTEOSA-N 314.360 3.355 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)c1c(F)cccc1Cl 75155229 JPHUHGSWPGTVSH-NSHDSACASA-N 313.781 3.312 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)N[C@@H](C)c3ccccc3)ccc2N1 78403788 KLYKFGMIGUTJDO-STQMWFEESA-N 316.426 3.083 0 40 DGAB COc1ncccc1-c1nnc(Cc2ccc(Cl)cc2)o1 216616345 UJKLQTRSYPYXQY-UHFFFAOYSA-N 301.733 3.384 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CNc1ccc(CNS(C)(=O)=O)cc1 182631637 VNNIUCCBCWDRJV-RHSMWYFYSA-N 322.474 3.140 0 40 DGAB CCCO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809541 BOWLOZQZYCRSMU-CYBMUJFWSA-N 302.248 3.232 0 40 DGAB O=C(CC1CCCC1)Nc1ccc(-n2cc(Cl)cn2)nc1 72401363 XXPCZDQITSPUMC-UHFFFAOYSA-N 304.781 3.440 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1 36635729 FNIHVIVCRLNDDO-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N([C@H](c2ccccc2C)C2CC2)C1=O 558274178 KYLQEOVRBVUHBP-UVBJJODRSA-N 300.402 3.413 0 40 DGAB COc1cc(C)sc1C(=O)N1CCC(n2cc(C)cn2)CC1 79103266 ILHNWADWFLKAMK-UHFFFAOYSA-N 319.430 3.047 0 40 DGAB CCc1nc2cc(C(=O)NCCc3ccccc3)ccc2n1C 225896015 FSNMXIFRCHARCV-UHFFFAOYSA-N 307.397 3.108 0 40 DGAB CC[C@H](C)NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224842641 VXBNEGPXOXDRAZ-LBPRGKRZSA-N 302.374 3.198 0 40 DGAB Cc1ccc([C@@H]2CN(c3nc4c(F)cccc4n3C)CCO2)o1 225574020 MCSDEPHCJVUWAP-HNNXBMFYSA-N 315.348 3.192 0 40 DGAB CCOc1ccc(NC(=O)C2(OC)CCCCCC2)c(C)n1 225888527 OMXFBWQQWHCONY-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NC1CCCC1 225439439 BPIRAHIZZDXALL-NSHDSACASA-N 300.358 3.067 0 40 DGAB biogenic,in-vitro CCCc1noc([C@@H]2CCCCN2C(=O)c2ccoc2C)n1 40714500 RLIFBHSODVSYOJ-ZDUSSCGKSA-N 303.362 3.291 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCOCc2ccccc2)c1 224135075 JWNSPNBLPKPXOD-UHFFFAOYSA-N 313.397 3.015 0 40 DGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NCC 224350793 IXTYAVDRKHRITI-HNNXBMFYSA-N 324.852 3.383 0 40 DGAB Cc1cc(=O)c(OCc2sc(C)nc2C(F)(F)F)co1 194687651 NKHYJEHWASTOHZ-UHFFFAOYSA-N 305.277 3.311 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1nnc(SC)s1 225615488 LDOYEDDRDJYIED-SNVBAGLBSA-N 323.443 3.365 0 40 DGAB COc1cccc(NC(=O)CCn2ncc3ccc(C)cc32)c1 40758960 AGHXYRBGLTXBDL-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB Cc1cccc(Cl)c1NC(=O)NC[C@@](C)(O)c1ccco1 132652089 SPPFEXKCIDJTHQ-OAHLLOKOSA-N 308.765 3.271 0 40 DGAB Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc([S@](C)=O)cc1 90764603 BHZWPJKSKUHWQP-HIMNYSJASA-N 320.458 3.483 0 40 DGAB COc1cccc(CC2CCN(C(=O)Cc3cccnc3)CC2)c1 96502378 SKEVDIXESVVSPY-UHFFFAOYSA-N 324.424 3.114 0 40 DGAB O=C(NC1CCOCC1)N1C[C@H]2CCCC[C@@]21c1ccccc1 96491796 KHCOZPXIAHNHOC-VQIMIIECSA-N 314.429 3.276 0 40 DGAB CC(C)(O)[C@@H]1CCCN1C(=O)c1cncc(-c2ccccc2)c1 96487208 HLDRFDVMRKRARP-KRWDZBQOSA-N 310.397 3.124 0 40 DGAB NC(=O)c1csc(CN2CC=C(c3ccccc3F)CC2)c1 97095433 KBXLKSGKYOAQJZ-UHFFFAOYSA-N 316.401 3.275 0 40 DGAB CC(C)[C@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96222042 FZGBTTDKJBUPJS-CRAIPNDOSA-N 303.402 3.060 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 257244739 IMPGTRVDNYWYHB-QGZVFWFLSA-N 309.413 3.195 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H](Cc3ccn[nH]3)C2)cc1 257323836 WMANCZHUPGBMJU-HNNXBMFYSA-N 321.428 3.255 0 40 DGAB Cc1nc(C(=O)NC2(CC(=O)OC(C)(C)C)CCCC2)c(C)o1 585088269 RYERQFCIKXERAJ-UHFFFAOYSA-N 322.405 3.066 0 40 DGAB CC(C)(C)C(=O)N1CCOC[C@H](Cc2ccc3[nH]ccc3c2)C1 257272493 NCPGQZCZRMFYOR-OAHLLOKOSA-N 314.429 3.232 0 40 DGAB C[C@@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccncc1 48288372 BLWPPBCWTMLBHU-CQSZACIVSA-N 323.396 3.090 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(OCC3CC3)cc2)no1 55223991 FZCCVBXAMYIXHC-UHFFFAOYSA-N 300.358 3.044 0 40 DGAB O=C(CSC(=S)N1CCCC1)N(C1CCCC1)C1CC1 75633503 LZXMHBXNWAAQTJ-UHFFFAOYSA-N 312.504 3.034 0 40 DGAB CCN1C(=O)CN2c3ccc(Br)cc3C(C)(C)[C@]12C 5322245 RCTMYNFMLVAPOP-OAHLLOKOSA-N 323.234 3.125 0 40 DGAB CCCc1cc2c(=O)c(C(=O)OC)c[nH]c2cc1N(CC)CC 5315911 NMYCTBARPUAEQN-UHFFFAOYSA-N 316.401 3.113 0 40 DGAB in-man Cc1ccc(C2=CCN(CC(=O)Nc3ncc(C)s3)CC2)o1 12114434 URYOPZOJXPRMNV-UHFFFAOYSA-N 317.414 3.081 0 40 DGAB OCc1nc(-c2ccc(Br)cc2)n2ccccc12 12249759 QKAOMRARJGYIGA-UHFFFAOYSA-N 303.159 3.256 0 40 DGAB CC(C)(C)C(=O)N1CCN(c2nc3c(F)cccc3s2)CC1 4583512 SUZPJMHJLDJOQJ-UHFFFAOYSA-N 321.421 3.130 0 40 DGAB O=C(CSc1nccn1-c1cccc(F)c1)c1ccc[nH]1 5178151 QWTXXWRWXMEOLJ-UHFFFAOYSA-N 301.346 3.315 0 40 DGAB CC1(C)CN(C(=O)OCc2ccccc2)CC[C@@H]1CC(=O)O 953109390 HLYAPRZYJKHXTN-CQSZACIVSA-N 305.374 3.146 0 40 DGAB CCSc1nnc(-c2c[nH]c3ccccc23)n1CCOC 4138634 HIPGGTMLACLHRQ-UHFFFAOYSA-N 302.403 3.185 0 40 DGAB CCCOc1nn(CCC)cc1C(=O)Nc1cccc(F)c1 9070904 OHHIBQIHVDSHGN-UHFFFAOYSA-N 305.353 3.473 0 40 DGAB c1ccc(CO[C@H]2CN(CC3CCCC3)[C@@H]3CCCO[C@H]23)nc1 2055751359 NTHWZBROURFXBR-QYZOEREBSA-N 316.445 3.020 0 40 DGAB O=C(c1cc(F)cc(Cl)c1)N1CC(COc2cccnc2)C1 1775969232 DMMDADBJYWQSPM-UHFFFAOYSA-N 320.751 3.025 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 50539 FWKSVBIDJAPAJH-NVXWUHKLSA-N 322.408 3.225 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCCOc2cccc(C)c2)s1 11109021 NLHQMOOLRYROAX-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccc(C)cc2)n1C 421418 AVSZNVXAHVJSFC-CYBMUJFWSA-N 319.430 3.224 0 40 DGAB Cc1noc(C)c1C(=O)NCc1csc(Br)c1 40516538 WGAWGHHAOIZWCX-UHFFFAOYSA-N 315.192 3.045 0 40 DGAB CCC(C)(C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 51203895 XHVIXHZVUYUHBU-UHFFFAOYSA-N 322.412 3.398 0 40 DGAB COc1ccc(CNCc2cc3cc(C)ccc3[nH]c2=O)cc1 4160540 UWPCUUPADXTCLU-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB O=c1[nH]c(CSc2nc3ccccc3o2)nc2ccsc12 6039084 UTGYPUBLSBDOAJ-UHFFFAOYSA-N 315.379 3.418 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)Nc1c(C)cccc1C 6128273 IVJHRBWLRYKTFJ-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB Cc1c(F)cccc1NC(=O)[C@H](C)NC(=O)Oc1ccccc1 6280020 BMZRYKXRXFAPNK-LBPRGKRZSA-N 316.332 3.250 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 46146518 PNEXTRUYVYBKOS-HOTGVXAUSA-N 316.445 3.067 0 40 DGAB C[C@]12C[C@@H](NC(=O)N1c1ccc(C(=O)O)cc1)c1ccccc1O2 100262467 LKYVDEVHSWVJOR-KDOFPFPSSA-N 324.336 3.154 0 40 DGAB CCOc1ccc(Cc2c(Cl)nc(SC)nc2NN)cc1 327544 GANCMPVZMYKARV-UHFFFAOYSA-N 324.837 3.127 0 40 DGAB CCCNC(=O)c1nc(-c2ccc(F)cc2)n(-c2ccccc2)n1 8476532 DSYKEVQPOMGTEM-UHFFFAOYSA-N 324.359 3.213 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cccc2c3c([nH]c12)CCCCC3 32779813 VUFHZKOSJVKGGE-CYBMUJFWSA-N 312.413 3.346 0 40 DGAB CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CCCO1 9416932 HVELSRUWCHJXKN-HUUCEWRRSA-N 304.434 3.296 0 40 DGAB Cc1cc(NC(=O)c2cccc(Cl)c2)cc(C(=O)O)c1O 20138056 QCKIZNDXDKNRIY-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 103468870 DFNMBVSOMLSDNW-MELADBBJSA-N 318.392 3.049 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2cccc(Br)c2)on1 42238913 OZUDSWZFIOPOGH-SECBINFHSA-N 309.163 3.237 0 40 DGAB Cn1cc(-c2nc3cc(-c4ccccc4)sc3c(=O)[nH]2)cn1 54753812 ACLOJIDVGHAZTM-UHFFFAOYSA-N 308.366 3.052 0 40 DGAB CCOC(=O)c1ccc(N2CCc3[nH]c4ccccc4c3C2)nc1 24055585 FARDAYUIWGRWBW-UHFFFAOYSA-N 321.380 3.302 0 40 DGAB C[C@H]1CCCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)C1 100831792 UGAJKEUNTZQXSB-HTBDUDNFSA-N 309.494 3.311 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1cc(Cl)sc1Cl 25047151 VMEHSHFSAWNNCY-UHFFFAOYSA-N 304.202 3.061 0 40 DGAB Cc1ccc2[nH]c(C(=O)NCCCn3nc(C)cc3C)cc2c1 44011494 YNCJCOSOCXDJMU-UHFFFAOYSA-N 310.401 3.110 0 40 DGAB COc1cccc(CCCNC(=O)COc2ccc(C)cc2)c1 66436641 LILANLRSIUKQKZ-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccc(C[C@H](C)N[C@H]2CCO[C@@]3(CCSC3)C2)cc1 108372377 NIFDFUUUBICVFU-ZVZYQTTQSA-N 321.486 3.271 0 40 DGAB Cc1ccc(OC(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 26765744 VLEFKLQLRDISOE-UHFFFAOYSA-N 313.353 3.046 0 40 DGAB COc1ccc(-n2nnnc2C(C)(C)Nc2ccc(C)cc2)cc1 35622765 FZCCUWKZHARLSD-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB Cc1ccc2c(CC(=O)N[C@H]3CCC[C@H]3n3ccnc3)c[nH]c2c1 69654697 HICMIDBOIJNDIT-FUHWJXTLSA-N 322.412 3.125 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)NCCCN1CCCC1=O 58264158 VASNYTHHQGQRPB-UHFFFAOYSA-N 317.433 3.252 0 40 DGAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccccc1Cl 12773494 VMCJNDMKZKGAPA-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)Nc2cc(C(C)C)n[nH]2)c1 58315450 VYVPCJGCIJZYRO-LBPRGKRZSA-N 315.373 3.142 0 40 DGAB Cc1[nH]c2c(C(=O)N[C@@H]3CCCc4c3cnn4C)cccc2c1C 24995175 TUQURXCMXRDYMS-MRXNPFEDSA-N 322.412 3.326 0 40 DGAB CNC(=O)c1ccc(OC(=O)c2cc(C)n(C3CC3)c2C)cc1 26996375 JNZALKYXCLYKGA-UHFFFAOYSA-N 312.369 3.019 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1c(F)cccc1F 3532650 HOEBYMHPBGXUNK-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB CCOc1ccc(OCCC(=O)Nc2ncc(C)s2)cc1 3560788 ZYRNWIXORCPGOJ-UHFFFAOYSA-N 306.387 3.258 0 40 DGAB O=C(NC1CC1)c1cn(-c2ccccc2)nc1-c1ccccc1 8077150 KWPPLRYYVDLEJT-UHFFFAOYSA-N 303.365 3.432 0 40 DGAB C[C@@H](Sc1nnc(N)s1)c1nnc(-c2ccccc2)o1 5281236 KCFQOPZHMXGBAD-SSDOTTSWSA-N 305.388 3.024 0 40 DGAB COc1ccc(NC(=O)c2cc3cccc(OC)c3oc2=N)cc1 67190165 ICRXOUGYGIHYRH-UHFFFAOYSA-N 324.336 3.182 0 40 DGAB O=C(Cc1cc(-c2ccccc2)on1)NCCc1cccs1 71911377 MQQNFHHVXTVOON-UHFFFAOYSA-N 312.394 3.305 0 40 DGAB COC(=O)c1ccc(F)c(CSc2nncn2C(C)C)c1 96004612 VSRYMAFXXVQCMT-UHFFFAOYSA-N 309.366 3.077 0 40 DGAB OCc1ccccc1NCc1ccc(OC[C@H]2CCCO2)cc1 96482759 OBWQZFODRACTFJ-GOSISDBHSA-N 313.397 3.349 0 40 DGAB CC(=O)Oc1ccccc1[C@@H]1CC(=O)n2c(nc3ccccc32)C1 9517193 WXHRKHNIGZDDPE-ZDUSSCGKSA-N 320.348 3.332 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 20490511 WQUKMQBFTZYXKB-OAHLLOKOSA-N 303.427 3.484 0 40 DGAB O=C(CCc1ccc(Cl)s1)Nc1ccnc2ccnn12 71888826 ZGURBVKTXYVNKG-UHFFFAOYSA-N 306.778 3.016 0 40 DGAB Cc1ccc(CNc2ccc(N3CCN(C)CC3)nc2)c(C)c1 84133232 JHJJOBPZKZRWON-UHFFFAOYSA-N 310.445 3.062 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)C1(C)C 72282714 WVKCHZNLOXXYQZ-SQWLQELKSA-N 301.434 3.354 0 40 DGAB O=C1C[C@]2(CCSC2)C(=O)N1Cc1cc2ccccc2s1 97114883 MHWJZXGRNIBSSL-INIZCTEOSA-N 317.435 3.284 0 40 DGAB O=C(Nc1ccc(N2CCCCCC2)cc1)c1ccc[nH]c1=O 84358015 JRIWOIRLFKMTEZ-UHFFFAOYSA-N 311.385 3.008 0 40 DGAB COc1cc(Br)cc(C)c1NC(=O)c1cc(C)n[nH]1 79015986 AGGPFMNNAXANFO-UHFFFAOYSA-N 324.178 3.050 0 40 DGAB COC(=O)C[C@H](c1c(O)n[nH]c1C)c1cccc2ccccc12 95474330 LFOYPKZQTGJKCY-HNNXBMFYSA-N 310.353 3.272 0 40 DGAB O=C(c1cccc(C2OCCO2)c1)N1CCC[C@H]1c1ccncc1 95441925 QKTYQUZGIZZUSC-KRWDZBQOSA-N 324.380 3.104 0 40 DGAB CN1CCC[C@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@H]21 95436251 XMENLKXELBYEBF-LSDHHAIUSA-N 312.523 3.241 0 40 DGAB CCOc1ccc(CCC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)cc1 95994578 UNSOWTIRCQAAOV-WMZOPIPTSA-N 319.445 3.027 0 40 DGAB COc1ccc(-c2nnc(SCC[C@H]3CCCN3C)[nH]2)cc1 95975909 XIJGDDOODFCQJA-CYBMUJFWSA-N 318.446 3.057 0 40 DGAB COc1ccc(-n2[nH]c(-c3ccccc3Cl)cc2=O)cc1 9939697 GLOGHRBRZHVMGX-UHFFFAOYSA-N 300.745 3.495 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)c2ccc3c(c2)CCC3)cn1 36718498 YLOMMMSJYKAQGZ-CYBMUJFWSA-N 309.365 3.307 0 40 DGAB Fc1ccc(CN2CCC[C@H]2c2cncc(-n3ccnc3)n2)cc1 72378648 ADTPQXILKPSZKF-KRWDZBQOSA-N 323.375 3.139 0 40 DGAB O=C(NCc1ccccc1Cl)c1ccn(-c2ccccc2)n1 32914154 RXHDJTYDWLOIIY-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB O=C(CCc1ccncc1)N(CCc1cccc(F)c1)C1CC1 79305612 VYPXJIQEBOHCAY-UHFFFAOYSA-N 312.388 3.387 0 40 DGAB CCC[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 61298075 XQVONRFISBGWIX-HZPDHXFCSA-N 320.477 3.206 0 40 DGAB COC(=O)c1cc(-c2ccccc2F)nc2c(Cl)c(C)nn12 36615756 OVOSPZHKQCYPQA-UHFFFAOYSA-N 319.723 3.284 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)c1ccc(C)nc1 72330235 XBUIUEAXWFJIOV-UHFFFAOYSA-N 312.369 3.056 0 40 DGAB Cc1cc([N+](=O)[O-])c(-c2ccc(/C=C\C(N)=O)o2)cc1Cl 45016229 PASMGUYIWKQAKE-HYXAFXHYSA-N 306.705 3.315 0 40 DGAB Cc1cccc(OCCNC(=O)COc2ccc(F)cc2)c1C 223962834 DRUUWEGAZCMSPG-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB Cc1ccc(Oc2ccc(C(=O)Nc3cccnc3)cc2)nn1 49026983 AKGACUJFRPXCTB-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB O=C(Nc1nc[nH]n1)c1cc(C2CC2)nc2ccc(Cl)cc12 81703632 MVVIJDXDPAHYCT-UHFFFAOYSA-N 313.748 3.136 0 40 DGAB COc1ccc(C[C@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225101751 IJDIFQJBEZYXPB-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB CN(Cc1cc(Cl)cs1)[C@H]1CCCN(c2cccnn2)C1 194382875 YAJQUJOLMISCNC-ZDUSSCGKSA-N 322.865 3.292 0 40 DGAB O=C(Nc1nc2c(s1)COCC2)c1nc2ccccc2s1 75166203 LVSMTMXHUCBEGL-UHFFFAOYSA-N 317.395 3.078 0 40 DGAB C[C@@H](CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1)C(=O)O 195551917 QXYYQMVMGXPISQ-VIFPVBQESA-N 320.776 3.147 0 40 DGAB Cc1nc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cs1 85491681 BQKOVCOHRXTIOC-CQSZACIVSA-N 314.410 3.329 0 40 DGAB BrC1(Br)[C@H]2[C@@H]3C[C@@H]4[C@@H]5C[C@@H]([C@H]24)[C@@H]1[C@@H]53 195529079 OLRUHJPVOOXZIZ-AUKQGGJJSA-N 304.025 3.250 0 40 DGAB Cc1cccc(C2(NC(=O)[C@@H](C)c3cncnc3)CCCC2)c1 333397597 DYYHDSCJWOFJBE-HNNXBMFYSA-N 309.413 3.474 0 40 DGAB Fc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)c1 96047580 KSDHVUXZTZPOEB-QZTJIDSGSA-N 316.376 3.264 0 40 DGAB CCN(CC)[C@H](C)CNc1ncnc2sc3c(c12)CCC3 97261965 LCBKEEXZJTYTMX-LLVKDONJSA-N 304.463 3.322 0 40 DGAB CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1cccs1 96492754 GGGWUTKJCZJWLF-UHFFFAOYSA-N 318.442 3.231 0 40 DGAB Cc1csc([C@@H](C)NC(=O)N[C@@H](C)CCc2cccn2C)n1 96439754 JIKNHLDFZKBTIW-WCQYABFASA-N 320.462 3.172 0 40 DGAB COc1cccc([C@@H](C)N2CCN(Cc3cncs3)CC2)c1 93078563 HUGCFMTXFPOSQE-CQSZACIVSA-N 317.458 3.031 0 40 DGAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1cnc(-c2ccccc2)nc1 579627702 HZHUKJZGFRFNDR-BBWFWOEESA-N 309.413 3.047 0 40 DGAB COCCC1(COc2ccc(Br)cn2)CCC1 95093848 XLLOSYAAXMFGCO-UHFFFAOYSA-N 300.196 3.430 0 40 DGAB CNC(=O)CN(C)[C@H](C)c1ccc(-c2ccccc2OC)cc1 96424754 DMHBRBJTGIOATE-CQSZACIVSA-N 312.413 3.101 0 40 DGAB O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)c1csnn1 96420965 DPNSDKCHUKQQIB-SECBINFHSA-N 321.711 3.225 0 40 DGAB Cc1cc(C)n(Cc2ccc(-c3ccccc3C(=O)O)cn2)n1 257301276 RXSREOZWFHOTSN-UHFFFAOYSA-N 307.353 3.308 0 40 DGAB CO[C@@H]1CCCOC12CCN(CCCc1ccccc1)CC2 257295742 QZQYGIZEFVKNCF-GOSISDBHSA-N 303.446 3.279 0 40 DGAB CC(C)c1c(C(=O)N2CCC[C@@H]3C[C@@H]32)cnn1-c1ccccn1 585082208 DLLUDVJXTXPMLC-HIFRSBDPSA-N 310.401 3.015 0 40 DGAB C[C@H](NC[C@@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C 585134726 HPBPOGIFLMZVMR-STQMWFEESA-N 322.840 3.154 0 40 DGAB Nc1nccc([C@@H]2CCCCN2Cc2cc(F)ccc2F)n1 257234520 GTXCSUPHRNUWNQ-HNNXBMFYSA-N 304.344 3.064 0 40 DGAB Cc1ccccc1NC(=O)NCCn1ccc(-c2ccccn2)n1 96098937 GWNMGWPRGIZLGC-UHFFFAOYSA-N 321.384 3.075 0 40 DGAB CC[C@H](C)n1ncc2c(C(=O)O)cc(/C=C/c3cocn3)nc21 568518959 VHERXNJOKIROLD-YEZKRMTDSA-N 312.329 3.259 0 40 DGAB CCC(C)(C)OCc1ccccc1NC(=O)Nc1cc[nH]n1 390835620 SOYLQHGTTQCCIZ-UHFFFAOYSA-N 302.378 3.759 0 40 DGAB Cc1noc([C@@H](C)N2CCC(COc3ccccc3)CC2)n1 55081225 HWYQLXYIVPRQFO-CYBMUJFWSA-N 301.390 3.230 0 40 DGAB CC(C)c1cc(C(F)(F)F)nc(I)n1 238227570 GPFFUPHKBRFTBT-UHFFFAOYSA-N 316.064 3.223 0 40 DGAB in-vitro Cc1sc(-n2cccc2)nc1C(=O)Nc1nc2ccccc2[nH]1 11866101 TZXVNKOEIMSZRH-UHFFFAOYSA-N 323.381 3.371 0 40 DGAB CC(C)C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12220082 JHLYSOMXKKYQCX-INIZCTEOSA-N 324.428 3.324 0 40 DGAB O=C(NCCCc1ccccc1)c1ccc(N2CCCC2=O)cc1 17298164 JJOGKTIDBCTCMR-UHFFFAOYSA-N 322.408 3.176 0 40 DGAB O=C1OC(c2ccco2)=N/C1=C\c1ccc(Br)s1 5581230 JXUKBQHUFUUMEF-VURMDHGXSA-N 324.155 3.448 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCC2)c(C)o1 9337772 PZHNQBWXKGVSRF-OAHLLOKOSA-N 302.374 3.056 0 40 DGAB COc1ccccc1NC(=O)CCc1cc(C(C)=O)c(C)o1 9366654 OYNGJSSBJIHSJI-UHFFFAOYSA-N 301.342 3.371 0 40 DGAB O=C(O)C[C@H](NC(=O)CCc1ccccc1)c1cccs1 13388886 GVYLAKIHICIEDX-ZDUSSCGKSA-N 303.383 3.013 0 40 DGAB CN(C)c1ccc(NC(=O)Cc2cccc3ccccc23)cn1 22396196 KEXWEEASGKXXTN-UHFFFAOYSA-N 305.381 3.482 0 40 DGAB C[C@H]1CCCCN1[C@@H](C)CNC(=S)NCc1ccc(F)cc1 36847490 SNMRRVUCTSMAKW-KBPBESRZSA-N 323.481 3.053 0 40 DGAB CSC1=NCCN1C(=O)C1c2ccccc2Oc2ccccc21 4119771 MAUJEYXMYGLAKM-UHFFFAOYSA-N 324.405 3.485 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC[C@@H]1COC2(CCCCC2)O1 4941168 YOUSEQMFYMGWEB-OAHLLOKOSA-N 323.820 3.075 0 40 DGAB CCCOc1nn(CCC)cc1C(=O)Nc1ccccc1OC 9070941 CGEYIEOKIWAYOY-UHFFFAOYSA-N 317.389 3.343 0 40 DGAB COC(=O)c1c(C)oc2ccc(OCC(=O)OC(C)(C)C)cc12 389342 VSKONEGOCOZGHK-UHFFFAOYSA-N 320.341 3.248 0 40 DGAB biogenic COc1ccccc1CN1CC[C@H](c2nnc(C(C)(C)C)o2)C1 49170642 AAYBPBLIYWXNJM-AWEZNQCLSA-N 315.417 3.365 0 40 DGAB biogenic,in-vitro O=C(NC1CCN(Cc2ccccc2)CC1)c1cc(Cl)c[nH]1 30057314 XXJLQNXICPLXHJ-UHFFFAOYSA-N 317.820 3.063 0 40 DGAB COC(=O)c1ccc(-c2cc3ccc(OC)cc3oc2=O)cc1 20426670 VHBBREDFYGYZMQ-UHFFFAOYSA-N 310.305 3.255 0 40 DGAB Cc1ccccc1-c1nnc(SCc2ccc(F)cc2)n1N 530200 XVFUWSCMQNEIPS-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2ccc(C(C)C)cc2)n2ncnc2n1 36619452 XAEZGGNXMVFXRV-ZDUSSCGKSA-N 323.400 3.047 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)CCc1c(C)noc1C 8128843 RJEIHJASCITTTC-GFCCVEGCSA-N 316.401 3.418 0 40 DGAB Cc1ccccc1NC(=O)CSc1nnc(-c2ccco2)o1 386054 KYQJRFZALBZIRM-UHFFFAOYSA-N 315.354 3.369 0 40 DGAB Cc1cc(C(=O)OCc2noc(-c3ccc(Cl)cc3)n2)on1 29392580 CYFVXXDCSBNQIA-UHFFFAOYSA-N 319.704 3.043 0 40 DGAB C[C@@H](C(=O)N[C@@H]1CCc2ccccc21)N1CCc2ccccc21 58166874 RWFBMROCHVQRQU-KBXCAEBGSA-N 306.409 3.241 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)C3CCC3)cc2F)C[C@@H](C)O1 46068218 HJVQVFHXAIFRHD-VXGBXAGGSA-N 306.381 3.178 0 40 DGAB COc1c(Br)cc(C)cc1C(=O)NC1CCCC1 57339398 KVVYEDIGWNBVLA-UHFFFAOYSA-N 312.207 3.439 0 40 DGAB O=C(Nc1cccc(NC(=O)C(F)(F)F)c1)c1ccccc1 8071235 VNVSVSNSYCLZRO-UHFFFAOYSA-N 308.259 3.440 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccccc2F)C1 102264141 ZOPIGYWDXSPTRN-QMTMVMCOSA-N 321.436 3.466 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N2CCCC[C@@H]2C)cc1 2627755 YFUXLTDEUVWQCF-LBPRGKRZSA-N 306.431 3.138 0 40 DGAB O=C(CN1CCCc2cc(F)ccc21)Nc1ccc(Cl)cn1 32825537 XSYWPCHSERNZRW-UHFFFAOYSA-N 319.767 3.265 0 40 DGAB Cc1oc(C)c(C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)c1C 21734605 FWWXORZFIXRBQN-INIZCTEOSA-N 315.369 3.191 0 40 DGAB O=C(NC1(c2nccs2)CCCC1)c1cc(C2CC2)on1 89885323 UTJBYFIVENHIIV-UHFFFAOYSA-N 303.387 3.208 0 40 DGAB COc1ccccc1CCn1cnc2c([nH]c3ccccc32)c1=O 525425 UGOSCGHWXNBMNK-UHFFFAOYSA-N 319.364 3.129 0 40 DGAB biogenic CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 69564683 MZXQEPVVSDVCSI-ROUUACIJSA-N 324.424 3.184 0 40 DGAB COCCOCCCC(=O)N1CCCC[C@H]1Cc1ccccc1 69527583 NSESNIXHGUBWSU-SFHVURJKSA-N 319.445 3.053 0 40 DGAB CCOCCCNC(=O)c1cccnc1Sc1ccccc1 22507876 SPRZWTINCOVRAT-UHFFFAOYSA-N 316.426 3.389 0 40 DGAB COc1ccccc1NCC(=O)NCc1ccc(Cl)cc1 8210837 MQBZZYSCKJJRQR-UHFFFAOYSA-N 304.777 3.077 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)N[C@H](C)c1nncn1C 46963808 SABMMPOJNKQBAN-GFCCVEGCSA-N 301.394 3.130 0 40 DGAB O=C(c1cnccn1)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 47294625 MLHYAEBWVRNSMR-UHFFFAOYSA-N 322.343 3.027 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)Nc1ccc(Cl)c(Cl)c1 24368079 YLRDDWZNKKPCAF-UHFFFAOYSA-N 313.188 3.391 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccccc1Cl)OC2=O 100260510 MONHAPHRAVDIBX-IAGOWNOFSA-N 321.804 3.078 0 40 DGAB O=C(c1ccccc1)N1CC=C(c2c[nH]c3ncccc23)CC1 55553159 LCXRZAIXEKCTIU-UHFFFAOYSA-N 303.365 3.492 0 40 DGAB COc1ccc(CCC(=O)NCc2ccc(F)cc2)cc1OC 3293579 UPKWNCZBHHQPHK-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB Cc1cc(CNC(=O)c2ccc(F)c(C(F)(F)F)c2)no1 44725793 QGFXUSOWQPKBSF-UHFFFAOYSA-N 302.227 3.071 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(Cl)s1 2150248 BVIVKIVARHZRRM-UHFFFAOYSA-N 309.746 3.481 0 40 DGAB CCOc1ccccc1CNS(=O)(=O)Cc1ccccc1C 20495086 RTBUTABYRZNEGI-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB Cc1nnc2ccc(C(=O)N(C)[C@@H]3CCCc4ccccc43)cn12 58413489 SJPYTNPXMFOHBY-QGZVFWFLSA-N 320.396 3.187 0 40 DGAB C[C@H]1CCN(C(=O)[C@H](C)n2cccn2)c2ccccc2S1 28504282 ZNSMWLBYCFXJNX-STQMWFEESA-N 301.415 3.362 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccccc2C)cc1OC 12771600 FULVIBGLXALZDE-CQSZACIVSA-N 313.397 3.432 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2ccc3c(c2)OCCO3)c1 3478804 HANSDZYCOLAKRO-VMPITWQZSA-N 311.337 3.118 0 40 DGAB Cc1ccccc1SCC(=O)Nc1ccc(C(=O)O)cc1 13166685 SRZWNFHOIDVNGN-UHFFFAOYSA-N 301.367 3.424 0 40 DGAB O=C(C1CC1)N(Cc1ccc2c(c1)OCCO2)C1CCCC1 65492657 FTKXUEBDLSLKTK-UHFFFAOYSA-N 301.386 3.139 0 40 DGAB CC(C)CCNC(=O)c1cnn(-c2ccccc2)c1-n1cccc1 6807005 GBVMMRFIUVWVBB-UHFFFAOYSA-N 322.412 3.439 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66771384 HZOGHQCXXBZSQS-ZBFHGGJFSA-N 313.397 3.478 0 40 DGAB CCCNC(=O)CSc1nc(C)nc2sc3c(c12)CCC3 5850177 PYRQBXDKUWSMNI-UHFFFAOYSA-N 321.471 3.107 0 40 DGAB COc1ccc(O)c(C(=O)OCC(=O)c2cc(C)ccc2C)c1 4951886 FJUYOQZJGXFRTP-UHFFFAOYSA-N 314.337 3.057 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1 67198442 HRNWSZAYYQKZDU-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB CCc1ccc(Nc2nn[nH]c2C(=O)NC2CCCCC2)cc1 67283466 XMILLEOUJWPOPL-UHFFFAOYSA-N 313.405 3.173 0 40 DGAB O=c1[nH]c(-c2cc(Br)ccc2O)nc2ccccc12 18219770 VBSKLELYKKVQGN-UHFFFAOYSA-N 317.142 3.058 0 40 DGAB CCOc1ccccc1[C@H](CC(=O)OC1CCCC1)NC(C)=O 77559710 XDGJQTVDVYJPQW-INIZCTEOSA-N 319.401 3.138 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 7802121 PAUFBAKVBMXXOQ-LJQANCHMSA-N 322.408 3.381 0 40 DGAB Cc1ccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)cc1 9273252 IQYLRUWUIVXKGK-UHFFFAOYSA-N 322.416 3.406 0 40 DGAB CN(C)C(=O)CSc1ccccc1C(=O)Nc1ccccc1 19676667 KXTNLFGPJMNRSU-UHFFFAOYSA-N 314.410 3.119 0 40 DGAB COc1cccc(-c2nc(CN[C@H](C)[C@H]3CCCO3)cs2)c1 71793582 CCSRKGZCJJFYRN-MLGOLLRUSA-N 318.442 3.476 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)Nc1ccnn1C(C)C 96433797 HZZYUHRQWDVJPC-LLVKDONJSA-N 320.368 3.494 0 40 DGAB CC[C@H](C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 19900139 SGHRSORVZFULQK-SFHVURJKSA-N 315.505 3.067 0 40 DGAB C[C@@H](c1ccccc1)[C@@H](C)NC(=O)CSc1ccncc1 78974533 JQEVLUHAOOXQGH-ZIAGYGMSSA-N 300.427 3.482 0 40 DGAB Cc1cc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c(C)o1 9710063 MIYUYPVEKDTNEE-UHFFFAOYSA-N 323.356 3.137 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1cc(C)n(C2CC2)c1C 84079493 FMNXDOJFKMSJNN-NSHDSACASA-N 314.433 3.281 0 40 DGAB CSc1ccc(NS(=O)(=O)c2ccc(Cl)s2)nc1 72286695 YGGWMODTIZHIDC-UHFFFAOYSA-N 320.848 3.319 0 40 DGAB C[C@H](CNC(=O)C(C)(C)Cc1cccc(Cl)c1)C[C@@H](C)O 84636998 GADFETGEPJZPFG-QWHCGFSZSA-N 311.853 3.432 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)N(CC(C)(C)O)C(C)C 95434888 PQUIJDBPVAGYRF-CQSZACIVSA-N 322.449 3.256 0 40 DGAB C[C@H](CNC(=O)N(C)Cc1cccn1C)c1ccc(F)cc1F 95415685 FBTUOYQOBNMSTA-GFCCVEGCSA-N 321.371 3.248 0 40 DGAB COCC[C@H](C)C(=O)N1CCS[C@H](C)[C@H]1c1ccccc1 73815129 GVLHILYIEJUSDT-LZWOXQAQSA-N 307.459 3.364 0 40 DGAB COc1cccc(-c2nnc(NCc3ccccc3)o2)c1OC 95939384 DKDWQEOMZQIWGQ-UHFFFAOYSA-N 311.341 3.366 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1ccc2[nH]cnc2c1 9918669 NHEBXDDSJKOHRR-UHFFFAOYSA-N 309.369 3.152 0 40 DGAB O=C(NC[C@@H]1CCCC[C@H]1O)Nc1ccccc1C(F)(F)F 75145010 KLNWJJCWANYXME-GXFFZTMASA-N 316.323 3.378 0 40 DGAB CSc1nsc(NC(=O)N(C)Cc2ccc(C)s2)n1 89656556 XZUNULOSLQJAGG-UHFFFAOYSA-N 314.461 3.294 0 40 DGAB C[C@@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N(C)C)c1ccccc1 408528383 HNEZDBUXBQMDHV-LLVKDONJSA-N 324.384 3.077 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C)c(C)n2)cc1Cl 35314985 AYUNFCCKTXSGMG-UHFFFAOYSA-N 322.821 3.181 0 40 DGAB CC(=O)N[C@H](C)C(=O)N1CCC[C@H]1c1cccc2ccccc12 79044388 PVSBTHGZEFTDGA-ACJLOTCBSA-N 310.397 3.028 0 40 DGAB C[C@@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 72203962 ICKLJMZYXGJZHD-KGLIPLIRSA-N 305.422 3.132 0 40 DGAB CC(=O)Nc1cccc(-n2cnnc2SCCC(C)C)c1 31620843 MYHOPKHOVNYJIC-UHFFFAOYSA-N 304.419 3.364 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 223131401 FFJJJCMFBYHLNO-OAHLLOKOSA-N 318.461 3.161 0 40 DGAB O=C(c1ccco1)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226245242 MYZNFNYHYHDSCI-UHFFFAOYSA-N 321.380 3.033 0 40 DGAB CCc1cccc(NC(=O)NC[C@@H](O)c2ccccc2F)c1 40098795 LSHQOMCJZWAUFW-MRXNPFEDSA-N 302.349 3.243 0 40 DGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CCC 223841250 PYQVGYLLUDXYOX-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB Clc1ccccc1Cc1nnc(NCc2cncs2)o1 195552220 IMFMNXWLWHCUCY-UHFFFAOYSA-N 306.778 3.382 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(C)cs1 96449571 CAOGMWUTTGMPBI-CYBMUJFWSA-N 322.405 3.407 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@@H](CCO)C2CC2)c1 96421957 XVYARHHXEFFTQI-ABAIWWIYSA-N 308.447 3.393 0 40 DGAB CCN(C(=O)c1cccs1)c1ccccc1S(=O)(=O)CC 96452918 BVKVDDHHIKQHRA-UHFFFAOYSA-N 323.439 3.208 0 40 DGAB O=C(Nc1ccnn1-c1ccccc1)[C@H]1OCCc2ccccc21 95432584 LOFLICPUPACJQQ-SFHVURJKSA-N 319.364 3.125 0 40 DGAB COc1ccccc1C[C@H](C)N(C)C(=O)c1cccc2cn[nH]c12 96431586 GLYBXDVXEBDFJF-ZDUSSCGKSA-N 323.396 3.275 0 40 DGAB Cc1nc(CN(CC(=O)O)Cc2ccc(Cl)cc2)cs1 580336250 FBLJFLIBZVGGKG-UHFFFAOYSA-N 310.806 3.192 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cc1 96158644 BVABHKILJXAHLL-LJQANCHMSA-N 314.473 3.214 0 40 DGAB CCOC[C@H]1CN(Cc2ccco2)Cc2ncn(CC3CC3)c21 96060307 ITQHAOWYSKXTKM-OAHLLOKOSA-N 315.417 3.022 0 40 DGAB N[C@@H]1CC[C@H](c2nc(-c3ccncc3)nn2-c2cccc(F)c2)C1 96164991 AIUDYMUHRXCKJJ-DZGCQCFKSA-N 323.375 3.063 0 40 DGAB CCN(C)c1cccc(NC(=O)N(CC(C)(C)O)C(C)C)c1 96483737 JMFJMMKQHDLXIP-UHFFFAOYSA-N 307.438 3.156 0 40 DGAB Cc1ccc(S(=O)(=O)CCCn2ncc(Cl)c2C)cc1 91600188 UEWDVJWVUQYJJG-UHFFFAOYSA-N 312.822 3.017 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)Cc2ccc(C)s2)ccn1 257231421 GGPJFRIBEBKGMQ-HNNXBMFYSA-N 315.442 3.399 0 40 DGAB COc1ccc(C(C)(C)CNC(=O)c2occ3c2CCC3)cc1 585081722 NCJSCVPJWHWBRZ-UHFFFAOYSA-N 313.397 3.485 0 40 DGAB C[C@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1O 585140180 NSJARYOWCAPKSI-SFYZADRCSA-N 304.173 3.453 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@@H](c2cnccn2)C1 257231506 GHACVHHYIPZIAS-OAHLLOKOSA-N 318.380 3.045 0 40 DGAB COc1ccc2c(c1)OC(C)(C)[C@H]1CC3(CCNCC3)CO[C@H]21 257332101 XVTICMTYOKLXKD-DOTOQJQBSA-N 317.429 3.314 0 40 DGAB CCCn1ccnc1CN1CCC(C)(c2nccs2)CC1 257308907 TYRWSGMGMSYLRV-UHFFFAOYSA-N 304.463 3.303 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@@H]3CNCC[C@H]3O[C@@H]21 257269277 MPIADRJTPOIXMN-MMTVNHQJSA-N 317.429 3.312 0 40 DGAB O=C(O)c1c(OC2CC2)cnc2c(Br)cccc12 685937441 PPKGNDWUMNXHJM-UHFFFAOYSA-N 308.131 3.237 0 40 DGAB c1csc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)c1 48682587 NFAACIUFRKDZAK-UHFFFAOYSA-N 313.382 3.157 0 40 DGAB O=C(Nc1nccs1)N(Cc1ccccc1)C[C@@H]1CCCO1 53748737 MDDCELMSMGRRTM-AWEZNQCLSA-N 317.414 3.356 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 69117602 ZPZHRWPQEYHHHS-JOYOIKCWSA-N 317.414 3.306 0 40 DGAB C[C@@H](NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)n1cccn1 69418022 WITUHJXCXMWRDI-CHWSQXEVSA-N 313.380 3.152 0 40 DGAB CC(C)CNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 5156779 XOQSAPZEMYTBRD-UHFFFAOYSA-N 303.387 3.209 0 40 DGAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1ccccc1Cl 5184279 DAFKZDQFVLJKTE-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB CCCCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 5713693 FKNJFABSTNGYAZ-INIZCTEOSA-N 316.401 3.220 0 40 DGAB Cn1cc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)cn1 12232552 HTSNQJXUQIZNGK-HNNXBMFYSA-N 314.389 3.043 0 40 DGAB CCN1C(=O)N[C@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 12949028 AANULVDJFJXXOF-MRXNPFEDSA-N 316.401 3.343 0 40 DGAB CCOC(=O)[C@H](Sc1ncccc1C(=O)O)c1ccccc1 16682208 SUVHDFOLLLBSEP-CYBMUJFWSA-N 317.366 3.176 0 40 DGAB Cc1cc(C)n(C2CCN(Cc3nc4ccccc4n3C)CC2)n1 19656985 NRNFUVGVTPMZJE-UHFFFAOYSA-N 323.444 3.224 0 40 DGAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(Cc4cncn4C)C[C@@H]32)nc1 643912045 BIBCFJSHENCPPL-MBOZVWFJSA-N 324.472 3.214 0 40 DGAB c1cc(OC[C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)ccn1 1776002035 ZUYKIOPMGIESEW-CQSZACIVSA-N 310.401 3.044 0 40 DGAB Cc1cc2nccc(C3CCN(Cc4ncccc4C)CC3)n2n1 2037846246 NHAIOZZOGFXRCG-UHFFFAOYSA-N 321.428 3.121 0 40 DGAB C[C@@H]1C[C@H](NCc2c(F)cccc2Br)CCN1C 390833404 HAYFLYWYDNPXCE-GHMZBOCLSA-N 315.230 3.161 0 40 DGAB Cc1c(C(=O)C(=O)N(C)C2CCCCC2)c2ccccc2n1C 4062377 OSCWYQQFFUOXLT-UHFFFAOYSA-N 312.413 3.461 0 40 DGAB CCn1cc(NC(=O)Nc2ccc(C(N)=O)cc2)c2ccccc21 5266161 BYKHTXMAQVCRIL-UHFFFAOYSA-N 322.368 3.404 0 40 DGAB COc1ccc2c(c1)CCC[C@@]2(O)CNc1nc2ccccc2o1 1775970803 RGJYMZIHCAKTON-LJQANCHMSA-N 324.380 3.472 0 40 DGAB CNC(=O)c1cccc(CSc2nc3ccccc3n2C)c1 78701911 DORSOKBMCGARRR-UHFFFAOYSA-N 311.410 3.225 0 40 DGAB O=C(Nc1cccc(N2CCNC2=O)c1)c1ccc(Cl)cc1 40108538 RWJJDRAKNXCZOY-UHFFFAOYSA-N 315.760 3.122 0 40 DGAB CNC(=O)c1ccc(OCc2csc(C(C)(C)C)n2)cc1 30979031 DYJAQGQUEVZJCD-UHFFFAOYSA-N 304.415 3.379 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 364636 WGZWZXZDIWZGKH-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB O=C(NCc1ccc(-c2nc3cnccc3o2)cc1)c1ccco1 32100275 NQTUDKYWFMSMJT-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2nc(C)cs2)c1 20729617 BACLZAUPVGCPLG-UHFFFAOYSA-N 301.371 3.054 0 40 DGAB Clc1ccc(N2CCC[C@H](c3nncn3C3CC3)C2)nc1 91628084 YUMALZNTBKQXGZ-NSHDSACASA-N 303.797 3.045 0 40 DGAB CCCN1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 32719013 HJUNUDVICSMKBW-UHFFFAOYSA-N 316.376 3.254 0 40 DGAB O=C1CCCN1C(=O)COc1ccc(Cl)c2ccccc12 2643369 DOHJGJDJTRHLIX-UHFFFAOYSA-N 303.745 3.021 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)NCCOc1ccccc1 32862668 ZOVSMCTVIAQVPH-INIZCTEOSA-N 312.413 3.386 0 40 DGAB COC(=O)Cc1csc(Nc2ccc(F)c(Cl)c2)n1 2664437 WRCBECPBVQNNNO-UHFFFAOYSA-N 300.742 3.395 0 40 DGAB O=C(CSc1nc2ccccc2o1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100647606 UDXWSHXOKQVZDV-NQBHXWOUSA-N 302.399 3.225 0 40 DGAB CC(C)C(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)c1 102910556 KHIASUHEEPIXBX-JLJPHGGASA-N 312.413 3.110 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCN(C2CCCCC2)CC1 783076 MUDUDEGHNUMALK-UHFFFAOYSA-N 306.837 3.431 0 40 DGAB CCN(C(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1cccc(C)c1 100266708 GETLWFGYMLNIOV-OALUTQOASA-N 315.413 3.470 0 40 DGAB COc1ccc(-n2nc(C)c3c(C(=O)O)cc(C4CC4)nc32)cc1 12395087 JGSXTOMEEZNFPW-UHFFFAOYSA-N 323.352 3.313 0 40 DGAB CCC(CC)c1cc[n+](CCN2C(=O)c3ccccc3C2=O)cc1 24158364 RBQVBLDOYDATSS-UHFFFAOYSA-N 323.416 3.174 0 40 DGAB CS[C@H](C)C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 43008427 KDMHQVNEVVAHHH-TZMCWYRMSA-N 321.442 3.263 0 40 DGAB CC(C)[C@@H](C)NC(=O)Nc1ccccc1CN1CCSCC1 61789454 CNJIWMWMVDEHMJ-CQSZACIVSA-N 321.490 3.401 0 40 DGAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2)SC(N)=N1 1410003 GDPCLDXKUXIMCM-ZDUSSCGKSA-N 304.415 3.405 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(C)cn1 12523393 KUKBAMXIYGOOKQ-KRWDZBQOSA-N 321.380 3.293 0 40 DGAB COc1c(N)cc(-c2nc3ncccc3o2)cc1Br 20134575 YXWBIFKNMINLJF-UHFFFAOYSA-N 320.146 3.243 0 40 DGAB COCc1ccccc1CNC(=O)c1cc(Cl)ccc1O 25304293 KXRBIHOGRDSXTD-UHFFFAOYSA-N 305.761 3.122 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CC[C@H]1N(C)Cc1cscn1 107359320 QWBDBTSRRWQFPY-MAUKXSAKSA-N 315.486 3.486 0 40 DGAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CCCC3)c1 1791432 RIIUORUAZMNEGP-UHFFFAOYSA-N 302.399 3.348 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1ccc(N2CCOCC2)cc1 12549352 XGDSZGHFCQLVKZ-LZCJLJQNSA-N 314.410 3.237 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1ccccc1F 26680735 XECILXSJQIZERV-GFCCVEGCSA-N 324.355 3.130 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)cc1 1993410 RQXRXKSXRCLZEJ-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1ccc(CNC(=O)c2cc3c(C)nn(C)c3s2)cc1F 10279299 VHRZQTDDACBLTK-UHFFFAOYSA-N 317.389 3.321 0 40 DGAB O=C(NCc1ccoc1)Nc1cccc(N2CCCCC2=O)c1 44949562 LZPJEQOBFNCMHZ-UHFFFAOYSA-N 313.357 3.118 0 40 DGAB O=C(OC1CCCCCCC1)c1ccc(N2CCNC2=O)cc1 58381849 FOFBBPRLYYNMDT-UHFFFAOYSA-N 316.401 3.486 0 40 DGAB N=C(NC(=O)c1ccc(F)cc1)Nc1nc2ccccc2s1 2297932 MEPJPGIXHXGBBY-UHFFFAOYSA-N 314.345 3.212 0 40 DGAB CN(CC12CC3CC(CC(C3)C1)C2)c1cc(=O)n2ccccc2n1 10998098 FFPDASVSXAMMMS-UHFFFAOYSA-N 323.440 3.347 0 40 DGAB CN(C(=O)c1nccc2ccccc12)C1Cc2ccccc2C1 69464761 ADENGGXZFXHFGK-UHFFFAOYSA-N 302.377 3.474 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)c1 5053818 QTLQKWIQPDMYRP-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB CN(C)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 49764009 MNIGICTWDZUUEU-QGZVFWFLSA-N 324.428 3.300 0 40 DGAB Cc1ccc(C(=O)OCC(=O)c2cc(F)ccc2F)c(O)c1 5225991 UDXJCSNCLZDAJT-UHFFFAOYSA-N 306.264 3.019 0 40 DGAB NC(=O)[C@@H](OC(=O)Cc1cccc2ccccc12)c1ccccc1 14072326 GWBOZJKXIXBGGD-IBGZPJMESA-N 319.360 3.152 0 40 DGAB COc1ccc(NC(=O)[C@H](C)SCc2cc(C)no2)cc1 14185264 HWYGPLHDZRYQQM-NSHDSACASA-N 306.387 3.252 0 40 DGAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)cc1C 4554957 WYNCAPLSYBZYRD-HXUWFJFHSA-N 323.392 3.049 0 40 DGAB Cc1cccc(OC(F)F)c1NC(=O)N[C@@H](CO)CC(C)C 69874479 PIILGNXNGOODHT-LLVKDONJSA-N 316.348 3.125 0 40 DGAB CSc1nnc(SC[C@H](O)c2ccc(F)cc2)s1 66347687 VZTHNWVENCLBNP-VIFPVBQESA-N 302.421 3.225 0 40 DGAB COc1cc(Cl)ccc1C(=O)NCC1(O)CCCCCC1 80037819 AGQJFKLUDMDHGF-UHFFFAOYSA-N 311.809 3.164 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1cccs1)c1ccccc1F 18236695 MTUAFAKCRJULTL-CQSZACIVSA-N 315.373 3.140 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCC(=O)Nc1ncccc1OC(F)F 71903611 XFPDQEKOUFFLOU-MNOVXSKESA-N 314.332 3.217 0 40 DGAB Cc1c(C)n(-c2cccnc2)c2ncn3nc(CC(C)C)nc3c12 9060802 FTQUIQVNXFICNP-UHFFFAOYSA-N 320.400 3.279 0 40 DGAB O=C(COc1ccccc1)NCCc1ccc(OC(F)F)cc1 9156549 GVASQDQEHMQUFS-UHFFFAOYSA-N 321.323 3.026 0 40 DGAB CC[C@H](OC(=O)c1cccc(C)c1C)C(=O)Nc1cc(C)on1 9453697 ZLBIFQJXAJPZON-AWEZNQCLSA-N 316.357 3.174 0 40 DGAB CC(C)(C)c1csc(CCNC(=O)NCc2ccco2)n1 71856578 XPZFTLJTMAWULR-UHFFFAOYSA-N 307.419 3.076 0 40 DGAB C[C@@H](OC(=O)c1ccccc1O)C(=O)Nc1ccccc1Cl 9752056 VDLNJZUDRZTDQX-SNVBAGLBSA-N 319.744 3.230 0 40 DGAB O=C(CCc1cccnc1)N1CCCC[C@H]1c1nccs1 72285820 DUNZUZCPPMNRPL-AWEZNQCLSA-N 301.415 3.225 0 40 DGAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)CCn1cccc1 72307022 MYTCPSBLVXERKW-UHFFFAOYSA-N 311.385 3.174 0 40 DGAB Cc1ccc(CNC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1 76042624 GJMKCOZSQCANSK-WMLDXEAASA-N 319.474 3.274 0 40 DGAB OC[C@H]1CCCN1Cc1cc(Br)ccc1Cl 78674414 AJGOGLQZDIMCOQ-LLVKDONJSA-N 304.615 3.059 0 40 DGAB CCS[C@H]1CC[C@@H](NCc2cn(C)nc2-c2cccnc2)C1 95990120 YIZKPLWZCDNGCI-CVEARBPZSA-N 316.474 3.246 0 40 DGAB c1cnc(N2CCCCC2)c(CNc2ncnc3ncccc23)c1 95973310 DTDUKAZICMTRRL-UHFFFAOYSA-N 320.400 3.022 0 40 DGAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2cccc(C(=O)O)c2)s1 95970426 LKTKXEWWOYFXKZ-KBPBESRZSA-N 315.394 3.175 0 40 DGAB Cc1nnc(NC(=O)N[C@H](C)c2cccc(Cl)c2)nc1C 95942340 WBQKJQZPOUPFDC-SNVBAGLBSA-N 305.769 3.025 0 40 DGAB CCN(C(=O)c1occc1C)c1ccccc1S(=O)(=O)CC 79015510 MCYKHUANUKBAOB-UHFFFAOYSA-N 321.398 3.048 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)c3csc(C)n3)cc2)o1 75144242 LVMMAVMMQHDYPI-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)OCCCc1ccncc1 68723516 BTUOVLUUTTYRDR-LBPRGKRZSA-N 321.323 3.303 0 40 DGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@H]1c1ccccc1 409376014 SELWMJAGFPFSPO-AWEZNQCLSA-N 300.383 3.454 0 40 DGAB Cc1ncsc1C(=O)Nc1cnccc1N1CCCCC1 79041144 LGVDSDVNKCVXJI-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB CC1(C)COCCN1C(=O)c1cc(F)cc(C(F)(F)F)c1 126698061 YKYILGHZBGOOPK-UHFFFAOYSA-N 305.271 3.096 0 40 DGAB Cn1cccc1CN(C(=O)Cc1ccccc1Cl)C1CC1 62018258 FBBYDUFODDBOOC-UHFFFAOYSA-N 302.805 3.412 0 40 DGAB O=C(Nc1ccc(-n2cc(Cl)cn2)nc1)c1cccs1 72401937 VVFQYILRMQGSFL-UHFFFAOYSA-N 304.762 3.235 0 40 DGAB CCc1ccc(OCC(=O)N(C)Cc2ccc(OC)cc2)cc1 47077051 LMTRKMQZQGZLBK-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB CN(C)c1ccnc(C(=O)Nc2ccccc2-c2ccncc2)c1 195573921 GRBQYPGDAJVSLR-UHFFFAOYSA-N 318.380 3.462 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C(C)C 222794137 XYHIJTZKNWYYOE-HOTGVXAUSA-N 314.458 3.456 0 40 DGAB CCOC(=O)c1nc(-c2cccc(C(F)(F)F)c2)ns1 196434200 RDWHFLWEKAAYOJ-UHFFFAOYSA-N 302.277 3.401 0 40 DGAB CCCCN(C)CC1CCN(C(=O)NCc2ccccc2)CC1 40157208 DEKPBXKMAMJQEX-UHFFFAOYSA-N 317.477 3.340 0 40 DGAB CSc1nnc(NC(=O)c2ccccc2OC(C)C)s1 223107783 RTPHOLWGOOKFMB-UHFFFAOYSA-N 309.416 3.300 0 40 DGAB O=C(NCCn1ccnc1)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 96424992 GGEKKFYEGQEVAK-KGLIPLIRSA-N 324.211 3.110 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@@H](C)n2ccnc2)[C@H]1c1ccccc1 96411312 GECUFRDUQANWNT-IJEWVQPXSA-N 315.442 3.149 0 40 DGAB CCC(=O)N1N=C(c2ccc[nH]2)C[C@H]1c1cccc2nccnc12 95115956 XNHSNBSLHVTPQO-INIZCTEOSA-N 319.368 3.046 0 40 DGAB Cc1cccc(N2CC[C@]3(CC(=O)N(c4ccsc4)C3)C2)n1 96077558 BSFNKGBBANTXHT-KRWDZBQOSA-N 313.426 3.085 0 40 DGAB F[C@H]1C[C@@H](CNC[C@@H]2CC=CCC2)N(Cc2nccs2)C1 583621393 BHTJCPJIINWWEB-ILXRZTDVSA-N 309.454 3.001 0 40 DGAB CCN1CC[C@@H](N(C)Cc2cc3ccccc3nc2O)C[C@H]1C 253534269 ROIRRISWIXKVFP-RHSMWYFYSA-N 313.445 3.245 0 40 DGAB C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128366 ZIOLMTCGMIJSNW-ZFHCCXERSA-N 304.434 3.025 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3ccc(Cl)cc3)C2)n1 257234872 GVKRWXCTDIHPKQ-CQSZACIVSA-N 317.820 3.320 0 40 DGAB CN(CCCOCc1ccccc1)C(=O)Nc1ccncc1F 281974120 OEOGNOCCAPGKGZ-UHFFFAOYSA-N 317.364 3.291 0 40 DGAB CCc1ccc(C(=O)Nc2nc([C@H]3CCCN3)cs2)cc1 585266738 PFUYUHZCUSDHPZ-CYBMUJFWSA-N 301.415 3.382 0 40 DGAB Cc1nccn1-c1ccc(CNCc2c(F)cccc2F)cn1 48782310 YDULDLJBWLCRQV-UHFFFAOYSA-N 314.339 3.144 0 40 DGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@H]1CCCO1 58054913 SYHOWVCKOCTDMV-WMLDXEAASA-N 302.418 3.176 0 40 DGAB Cc1csc([C@@H](NC[C@H](O)c2ccc(F)cc2)C2CC2)n1 97110105 MZAHVEOURSYXCT-GJZGRUSLSA-N 306.406 3.365 0 40 DGAB Cc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)cc1 5740313 NKWBVFNSUCIACF-UHFFFAOYSA-N 300.383 3.210 0 40 DGAB CSc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 12658178 CLQSPIPSVICWSA-UHFFFAOYSA-N 323.421 3.348 0 40 DGAB O=C1N=C(Nc2ccccn2)S[C@@H]1Cc1ccc(Cl)cc1 13425363 FNQSFQDQLXDDNB-GFCCVEGCSA-N 317.801 3.388 0 40 DGAB CN(C)c1ncc(CN[C@H]2[C@H](c3ccccc3)[C@@H]3CCC[C@H]32)cn1 19585568 NISXXCWSZBUJAB-NCXUSEDFSA-N 322.456 3.215 0 40 DGAB COc1cccc(OC)c1/C=C1\N=C(c2ccccc2)OC1=O 1698474 IXNWRNTXFCHKJM-KAMYIIQDSA-N 309.321 3.048 0 40 DGAB CC(C)=CC(=O)N1CC[C@@H](Oc2cc(C(F)(F)F)ccn2)C1 225733213 YYGRMJMMOSFPJS-GFCCVEGCSA-N 314.307 3.046 0 40 DGAB CCS(=O)(=O)c1ccccc1N[C@@H](C1CC1)[C@H]1CCCCO1 585091257 BBEZWPLTYSFYDK-WBVHZDCISA-N 323.458 3.240 0 40 DGAB COc1ccc(Cc2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744834 FPNOFUVPGMAIGW-UHFFFAOYSA-N 310.309 3.065 0 40 DGAB CC1(C)CC(=O)c2c([nH]c(-c3ccc4c(c3)OCCO4)c2O)C1 6667789 IMAIOHGSTHZHIX-UHFFFAOYSA-N 313.353 3.314 0 40 DGAB O=C(Cc1cccnc1)N1CCS[C@@H](c2cccs2)CC1 219516710 UCVZRWYVXHQRJO-OAHLLOKOSA-N 318.467 3.392 0 40 DGAB O=C(NC[C@@H](O)c1csc2ccccc12)c1ccsc1 225691746 WVQJLENEUUEVHK-CYBMUJFWSA-N 303.408 3.426 0 40 DGAB FC(F)(F)c1csc(N2CC(COc3cccnc3)C2)n1 2298182821 NQECPWLBTXFGGG-UHFFFAOYSA-N 315.320 3.072 0 40 DGAB OC(CCN1CC2CCN1CC2)(c1ccccc1)c1ccccc1 19170274 UPEFLHJBQAHLAS-UHFFFAOYSA-N 322.452 3.255 0 40 DGAB CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@@H]1C 84320 KGQYMZVRKCXZFR-AWEZNQCLSA-N 308.381 3.365 0 40 DGAB COc1ccc(-c2nn3c(CC(C)C)nnc3s2)c(OC)c1 11278593 UGVWTAUDNHOIPA-UHFFFAOYSA-N 318.402 3.069 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccccc2F)Cc2ccc(Cl)cc21 8020806 SLQLPDVWHUAAKS-CQSZACIVSA-N 319.719 3.199 0 40 DGAB CCC[C@H](C)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 51203799 PEHPPYWMBDWDDM-GUYCJALGSA-N 300.402 3.255 0 40 DGAB CCOC(=O)[C@H](CC(=O)O)C(c1ccccc1)c1ccccc1 1734780 YWNUBNVUDLXUJP-MRXNPFEDSA-N 312.365 3.473 0 40 DGAB Fc1ccccc1-c1oncc1-c1nnnn1-c1ccccc1 16523961 GIPDCBFCGAJVAD-UHFFFAOYSA-N 307.288 3.123 0 40 DGAB COc1ccc(OCCCC(=O)NCc2ccc(C)cc2)cc1 3608969 KPOGWIFFKISDSB-UHFFFAOYSA-N 313.397 3.479 0 40 DGAB O=C1N(Cl)C(=O)C2(c3ccccc3-c3ccccc32)N1Cl 3814356 DUZQUBOEJIUYKK-UHFFFAOYSA-N 319.147 3.482 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1C[C@@](C)(O)[C@@H]2O 4429078 OOVXZFCPCSVSEM-UPQMVPBKSA-N 316.441 3.273 0 40 DGAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)CCC)c1 6386482 PFYZJNXKCDOYKY-UHFFFAOYSA-N 321.446 3.428 0 40 DGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1 6741479 XKCOALSLNAEUPI-XUJVJEKNSA-N 311.809 3.099 0 40 DGAB CC(C)Oc1ccc(NC(=O)c2cccc3c2OCCO3)cc1 60136473 QKSZSCVTGWCOAM-UHFFFAOYSA-N 313.353 3.497 0 40 DGAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccs1 16730405 NCEXRVYNIKKRKK-UHFFFAOYSA-N 323.317 3.448 0 40 DGAB Cc1cc(CNC(=O)c2ccc(N(C)C)c(F)c2)ccc1F 58009681 BMKAZQBLMRCNIB-UHFFFAOYSA-N 304.340 3.269 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc12 104819308 DWFMIKZYBZZVCM-LPTSXCQYSA-N 317.458 3.498 0 40 DGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(C)cc1 24489468 FMUOFTMOFHAFCZ-CVEARBPZSA-N 301.386 3.072 0 40 DGAB COc1ccnc(Oc2cccc(C(F)(F)F)c2)c1C(N)=O 1392006 CUOCGSSEMZAGBU-UHFFFAOYSA-N 312.247 3.000 0 40 DGAB Cn1cc(CCC(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 106648455 JXRLSICZMHSJEC-LEUOFYLZSA-N 315.461 3.170 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccsc1 25190068 VLIIWZAJINKPJK-UHFFFAOYSA-N 315.394 3.057 0 40 DGAB NC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccccc1 26161699 DSMYUJAKMQITFJ-ZDUSSCGKSA-N 305.175 3.088 0 40 DGAB Cc1cc(C)c(NC(=O)c2nc3ccccc3c(=O)[nH]2)c(C)c1 28210349 HIMXTEGNQSQXRC-UHFFFAOYSA-N 307.353 3.101 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)CN(c1cc(Cl)nc(N)n1)CC3 26728126 XUEFQBLPRYBYTN-UHFFFAOYSA-N 313.792 3.065 0 40 DGAB Cc1noc([C@@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 26991028 PJWLFIOIABDOMQ-SECBINFHSA-N 320.780 3.331 0 40 DGAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccccc1F 58191623 WMLHQUSNGJMYJR-UHFFFAOYSA-N 304.409 3.210 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@@H](C)c1cc(C)sc1C)CN2 58294441 WKLBANUMSNLCHV-GXTWGEPZSA-N 304.463 3.262 0 40 DGAB CC1CCC(N2CCC(N(C)C(=O)c3cccnc3)CC2)CC1 58370338 VNVCXZXHFNOWQS-UHFFFAOYSA-N 315.461 3.197 0 40 DGAB O=C(NCc1ccccc1)c1cccc(Nc2ncccn2)c1 28095616 ZOVZEVNXAQNVFR-UHFFFAOYSA-N 304.353 3.150 0 40 DGAB CCN(CC(=O)Nc1ccccc1)Cc1ccc(OC)c(F)c1 8214155 BGJYLZLKOLDMNA-UHFFFAOYSA-N 316.376 3.295 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)/C=C(/C)Cc1ccccc1OC 69658059 RZSDYFAKBXQEBA-RTYFKUQISA-N 317.429 3.069 0 40 DGAB CNc1snc(C)c1C(=O)NCCc1ccc(Cl)cc1 16970105 CCYXBGPKFKVNTE-UHFFFAOYSA-N 309.822 3.119 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccco2)c(C)c1 3556355 YVSHTASFOYMDNG-ZDUSSCGKSA-N 301.342 3.389 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1NC(=O)c2ccccc2N1 8394966 FKLPPCLELSYPRM-GOSISDBHSA-N 318.380 3.343 0 40 DGAB CCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 8388794 RJSQZLZKOPSKJR-UHFFFAOYSA-N 304.434 3.080 0 40 DGAB O=C(CNC(=O)c1ccco1)Nc1ccc(-c2ccccc2)cc1 6651677 NLBHAZOCVYRTRQ-UHFFFAOYSA-N 320.348 3.315 0 40 DGAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2C=O)c1 4739425 XVFMFYDGVVOCHS-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB Cc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1C 4702733 UWTXSOSFZGHGMQ-UHFFFAOYSA-N 301.729 3.214 0 40 DGAB Cc1noc(C)c1C(=O)OCc1nc2ccccc2n1C(F)F 14902721 CYUPKFRDQIHBLH-UHFFFAOYSA-N 321.283 3.393 0 40 DGAB Cc1cccc(OCc2nn3c(-c4ccco4)nnc3s2)c1 4938841 PLXKIQXLRIHDCY-UHFFFAOYSA-N 312.354 3.333 0 40 DGAB Cc1nc(SCC(=O)Nc2cccnc2)n(CC(C)C)c1C 69927435 ZFMPLYLTVKJHIN-UHFFFAOYSA-N 318.446 3.282 0 40 DGAB COCc1cccc(C(=O)N2CCC[C@H](c3nccs3)C2)c1 67047606 HYRWQUBSLUEFTO-HNNXBMFYSA-N 316.426 3.309 0 40 DGAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)N1CCCCCC1 7059474 RYLSXKCIOBPIOF-LBPRGKRZSA-N 303.431 3.446 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@H]1c1cccc(F)c1 67528847 SNSHAOSKHBGIFH-NWDGAFQWSA-N 318.377 3.232 0 40 DGAB Cc1cc(C)c2c(=O)cc(C(=O)NCc3ccccc3)oc2c1 9194354 JSRCKJARIMOISY-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)NCCCc2c[nH]c3ccccc23)n1 71886454 MHUOQBOCDNLBPW-OAHLLOKOSA-N 324.428 3.291 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)o1 72232228 SRYBSUFRSODTFG-GFCCVEGCSA-N 303.362 3.114 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)c3ccccn3)C2)n1 72282258 UQBIMRJOTFETPV-GFCCVEGCSA-N 301.415 3.120 0 40 DGAB CC(C)c1ccc(-c2nc(C(=O)N3CC[C@H](N)C3)cs2)cc1 97019631 VVYROECOZYJWTG-AWEZNQCLSA-N 315.442 3.107 0 40 DGAB O=C(c1cccc2c1OCCO2)N1CC[C@H](c2ccccc2)C1 84525532 NWVVSFPQGNNBSK-HNNXBMFYSA-N 309.365 3.088 0 40 DGAB O=C(COc1ccccc1O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 95430591 RZXJRKVGKBGIPC-UONOGXRCSA-N 317.772 3.097 0 40 DGAB CSC[C@H](NC(=O)NCCc1ccncc1)c1ccccc1 95417663 NSXHDKKVEABXMY-INIZCTEOSA-N 315.442 3.028 0 40 DGAB CN(C)C(=O)Nc1ccc(Cl)c(C(=O)OCC(F)(F)F)c1 95433618 PNQGVNMJLJRJGA-UHFFFAOYSA-N 324.686 3.153 0 40 DGAB CCO[C@H](C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 78950842 YQUOCQCPCFTDKD-SFYZADRCSA-N 310.341 3.154 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2ccc3[nH]cnc3c2)C1 89275146 AVVZDTJFRMNSDR-CYBMUJFWSA-N 303.431 3.311 0 40 DGAB Cc1cc(C)cc(CNc2ccc(C(=O)N[C@H](C)CO)cc2)c1 79016785 UIGOLIZQDSQNNX-OAHLLOKOSA-N 312.413 3.026 0 40 DGAB Cc1cccc(OCC(=O)NCc2ccc(OC(C)C)cc2)c1 36559424 BMABBCRXOASWKL-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB COCc1cccc(NC(=O)c2c(OC)cccc2OC)c1 126082866 DJBPOYXXSPVGKD-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1OC 30850702 XXTQKVXVLAFSOZ-QGZVFWFLSA-N 313.397 3.477 0 40 DGAB CCOC[C@H]1CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 521257701 OSWJZYLUAGHCSG-AWEZNQCLSA-N 317.385 3.380 0 40 DGAB CC[C@@H](NC(=O)c1cn[nH]c1C)c1nc(C(F)(F)F)cs1 73278377 WYYRBMCSVDXZJM-MRVPVSSYSA-N 318.324 3.075 0 40 DGAB c1ccc(-c2oncc2-c2nn3c(C4CC4)nnc3s2)cc1 35326429 AGKVBWFJLYFHFK-UHFFFAOYSA-N 309.354 3.385 0 40 DGAB C[C@H]1CC[C@@H](CN2CCC(OCc3ccccc3F)CC2)O1 225598205 HUUUNAYJZGXZED-YOEHRIQHSA-N 307.409 3.374 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222942065 ROXQEFRSHVWGLP-CVEARBPZSA-N 314.458 3.049 0 40 DGAB COCCc1nc(N)cc(Nc2ccc(Cl)c(Cl)c2)n1 49467722 XTXUJKDENQIBCC-UHFFFAOYSA-N 313.188 3.298 0 40 DGAB C[C@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@@H](c2ccco2)C1 195531864 GAPCGJSCALIEHM-GOEBONIOSA-N 323.396 3.261 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1 224447149 DYNBLRSAUPSUAL-QGZVFWFLSA-N 317.360 3.178 0 40 DGAB COc1ccccc1CCCNC(=O)Cc1ccc(F)cc1 223031536 MIUOPTHKDPNQFL-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@](C)(CNc2cccc(CO)c2)C1 195230270 JJWVXWIQDPHMMH-GOSISDBHSA-N 320.433 3.238 0 40 DGAB CCCc1nc([C@H](NC(=O)c2ccco2)c2ccccc2)no1 96412096 OVTKYZCDPQWAGN-OAHLLOKOSA-N 311.341 3.135 0 40 DGAB C[C@@]1(NC(=O)Nc2ccc(SC(F)F)cc2)CCOC1 95440564 DKQUARZJYPUNBV-CYBMUJFWSA-N 302.346 3.302 0 40 DGAB c1ccc(-n2cnnc2CNc2ccnc3ccsc23)cc1 91429870 XNPZFWDPRBFLAX-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB Cc1ccnc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)c1 96183187 JEQJEJPHNXAPKE-UHFFFAOYSA-N 323.396 3.043 0 40 DGAB Cc1cccc(CN2CCC(c3ccnc4cc(C)nn34)CC2)n1 257216720 CVVFZGKJKDQKNE-UHFFFAOYSA-N 321.428 3.121 0 40 DGAB CC(C)[C@H](SCCn1cccn1)C(=O)N1CCCC[C@H]1C 585118492 QUJVUZMZEUUNNQ-CABCVRRESA-N 309.479 3.042 0 40 DGAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccoc1 85562218 MTNKDLWSMKFWLE-CQSZACIVSA-N 319.407 3.414 0 40 DGAB CCN1CCN(c2ccc(Br)cc2Cl)CC1 95915822 BXMKZQDQJPYLIS-UHFFFAOYSA-N 303.631 3.244 0 40 DGAB O=C(CCN1CCCCC1)c1ccc2c(c1)OCCCCO2 5514231 FZTUKKJKVWHJSU-UHFFFAOYSA-N 303.402 3.297 0 40 DGAB CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@@](C)(O)CC=C12 252505761 MSKFOQCDNOFJAT-DONSJTAYSA-N 322.489 3.135 0 40 DGAB biogenic,in-vitro O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@H](OCC2CC2)C1 390830303 KBUXWNPBFXDENX-AWEZNQCLSA-N 313.319 3.347 0 40 DGAB C[C@@H]1CCCCN1C(=O)CCCNC(=O)c1ccc(Cl)cc1 28494407 GZWCOXJRXVOSDE-CYBMUJFWSA-N 322.836 3.251 0 40 DGAB CCOC(=O)c1ccc(NC(=S)N2C[C@H]3CC[C@H]2C3)cc1 100237927 YQTGXYFCOLKVSH-FZMZJTMJSA-N 304.415 3.044 0 40 DGAB COc1cccc(C(=O)N2CC[C@@H](c3ccccc3)C2)c1OC 38567143 VCTBINDQSHCMKV-OAHLLOKOSA-N 311.381 3.334 0 40 DGAB CCc1ccccc1NC(=O)CNC(=O)OCc1ccccc1 50038023 KAVATVHLIFZSMY-UHFFFAOYSA-N 312.369 3.114 0 40 DGAB CN(C(=O)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CCCC1 40069727 JNKZTKWUPMAHDK-LBPRGKRZSA-N 320.820 3.094 0 40 DGAB CC(C)CNC(=O)[C@H](C)Nc1cccc(OC(F)(F)F)c1 20368658 LHOGYIRCXRRXKE-JTQLQIEISA-N 304.312 3.158 0 40 DGAB CCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21 100672805 QSJZIXCXEQQEME-UHFFFAOYSA-N 303.358 3.074 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)cc1 514391 ITIGFFDTJHOIAX-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB COCc1c(C(=O)N(C)Cc2cc(C)on2)oc2ccccc12 31658405 JPWNNXCLSAEDFY-UHFFFAOYSA-N 314.341 3.148 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@H](C)C1 11498238 QRSWLFDZPITJLC-SNVBAGLBSA-N 320.389 3.119 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cccnc1 29296758 GZCZERXZQPIEJG-GOSISDBHSA-N 305.381 3.469 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(O)c2)cc1Cl 3619200 UNTKYCDEUMRTER-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)COc2ccccc2)c1 4659307 OFFNAGGGDIUDQI-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 7928661 NTCZOYCTVWNBQX-QGZVFWFLSA-N 323.392 3.258 0 40 DGAB CCN1CCC[C@H](OC(=O)c2ccc(Br)cc2)C1 32962583 REHKIFLZEBUJET-ZDUSSCGKSA-N 312.207 3.090 0 40 DGAB O=C(c1cn(-c2cccc(C(F)(F)F)c2)nn1)C(F)(F)F 53647980 LBNJERSTWHMKEY-UHFFFAOYSA-N 309.169 3.031 0 40 DGAB COc1ccc(-c2cc(C(=O)Nc3ccccc3OC)n[nH]2)cc1 51315558 QSXRVIYOPVYFAN-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB CCc1c(C(=O)Nc2cccnc2)cnn1-c1ccc(F)cc1 24536887 SVBLMUJKODBGFT-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB O=C(c1ccccc1-n1cccn1)N1CCCc2ccccc21 47238801 UGKQPAXLDJZOSX-UHFFFAOYSA-N 303.365 3.465 0 40 DGAB CCc1nnc(NC(=O)c2ncoc2-c2cccs2)s1 57728842 PPEAQDAWODBFGN-UHFFFAOYSA-N 306.372 3.069 0 40 DGAB O=C(Nc1ccccc1Cn1cncn1)c1ccc2c(c1)CCC2 55968795 XZCWZACTURCOLO-UHFFFAOYSA-N 318.380 3.067 0 40 DGAB FC(F)n1ccnc1CSc1nc(CC2CCCC2)n[nH]1 25456010 MCCIKPDKABNVPB-UHFFFAOYSA-N 313.377 3.421 0 40 DGAB COC[C@@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 71904965 HBSOQTMZABKJMT-OAHLLOKOSA-N 313.401 3.368 0 40 DGAB Cc1cc(=O)oc2cc(OCc3nc(C(C)(C)C)no3)ccc12 22956103 RPZPZZLQXJGVDK-UHFFFAOYSA-N 314.341 3.361 0 40 DGAB C[C@H]1CC(NC[C@H]2CCCN(Cc3ccccc3)C2)C[C@@H](C)O1 110708043 PTNWHLDIWJUVMX-NNXNONAVSA-N 316.489 3.444 0 40 DGAB O[C@@H](COc1cccc2ccccc12)CSc1nncs1 58281647 QRDJOVRIRPDKGX-LBPRGKRZSA-N 318.423 3.223 0 40 DGAB O=S(=O)(Cc1ccccn1)Cc1csc(C2CCCC2)n1 58214949 NTAUQVLWWQKROT-UHFFFAOYSA-N 322.455 3.311 0 40 DGAB COc1cccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)c1 44922062 CHULABYOMBPTMH-AWEZNQCLSA-N 303.387 3.161 0 40 DGAB CC(C)c1noc([C@@H](C)Sc2nnc(NC3CC3)s2)n1 27811999 UGTWSVCMKKKXHY-SSDOTTSWSA-N 311.436 3.472 0 40 DGAB CC(C)c1ccc(-c2noc(CN(CCO)C(C)C)n2)cc1 58358051 JKCOXOWBVGYJAC-UHFFFAOYSA-N 303.406 3.063 0 40 DGAB CCOc1cccc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)c1 58421754 FWLJSZKCAGJDAF-CYBMUJFWSA-N 316.449 3.044 0 40 DGAB Cc1cc(NC(=O)CCN2CCC[C@H]2c2cccs2)no1 28634531 VDNQPCANHUBOJA-LBPRGKRZSA-N 305.403 3.210 0 40 DGAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1Cl)C2=O 3396907 JDEMWPQGDPHINM-ZBEGNZNMSA-N 306.793 3.341 0 40 DGAB COc1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1OC 3360865 OMFAKCIEDLPXHG-RMKNXTFCSA-N 301.317 3.495 0 40 DGAB CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)c(OCC)c1 408820071 SYMWJWOXDAOGDE-JYRVWZFOSA-N 307.371 3.150 0 40 DGAB CC(C)c1n[nH]c(-c2ccccc2NC(=O)CC(F)(F)F)n1 62281285 ZGDVOAGYFFDYEC-UHFFFAOYSA-N 312.295 3.486 0 40 DGAB COc1cccc(CC(=O)Nc2ccccc2OC(F)F)c1 3609246 PSWPDBYBYUPKDK-UHFFFAOYSA-N 307.296 3.478 0 40 DGAB Cc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(-n3cnnc3)c2)c1 69324335 DQKZQZIINWWDMH-QZTJIDSGSA-N 318.380 3.318 0 40 DGAB C[C@H](NCc1cnc(-c2ccccc2)nc1)[C@H](C)n1cccn1 69434598 NPJUIGHPMBVODV-GJZGRUSLSA-N 307.401 3.079 0 40 DGAB CSCCc1ccc(NC(=O)N[C@@H](C)[C@H]2CCCO2)cc1 69685313 MTHJTJZJUAMKLV-SWLSCSKDSA-N 308.447 3.281 0 40 DGAB CCCC(=O)Nc1cc(C)nn1-c1ccc(C(F)(F)F)cn1 65476388 IYKHCMQWOOUAAX-UHFFFAOYSA-N 312.295 3.333 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 14188451 VVHIOUZLLNLIEQ-MRVPVSSYSA-N 314.172 3.133 0 40 DGAB CNC(=O)c1ccccc1NC(=O)c1ccc2c(c1)CCCC2 19208764 BKVIPVADLXYCJW-UHFFFAOYSA-N 308.381 3.177 0 40 DGAB C[C@H](c1nnc(S)n1-c1ccc(F)cc1)N1CCCCC1 19229998 KNOGJOJWLPDNRE-LLVKDONJSA-N 306.410 3.242 0 40 DGAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccc(F)cc1 5562170 KNDSPLXGXWXPJX-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB Cc1nnc(NC(=O)c2ccccc2C(=O)c2ccccc2)s1 14903481 HAFMQCKZMGKSMI-UHFFFAOYSA-N 323.377 3.330 0 40 DGAB Cc1cc(C)c2c(CC(=O)Nc3nnc(C)s3)coc2c1 6809840 UXYGQOSJWAWJKB-UHFFFAOYSA-N 301.371 3.391 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)C1C[C@@H]2CCC[C@H](C1)C2=O 7216874 DEDJVRASCPMYCS-DXBFTMOHSA-N 313.397 3.022 0 40 DGAB Cc1cc(C(=O)Cn2ncc(=O)c3ccccc32)c(C)n1C1CC1 7245454 RIUYECZDZZUGAA-UHFFFAOYSA-N 321.380 3.033 0 40 DGAB CC(=O)Nc1ccc(CNC(C)(C)c2ncc(C)s2)cc1 80346443 VFAKHODDYBHCDT-UHFFFAOYSA-N 303.431 3.435 0 40 DGAB Clc1cc(Cl)cc(-c2ccc(CNc3nn[nH]n3)o2)c1 7602190 PLKHGUNQRBPRPP-UHFFFAOYSA-N 310.144 3.379 0 40 DGAB CCOC(=O)c1c(C)noc1NC(=O)Nc1cccc(C)c1 19897583 GLWXZLTVELZUTP-UHFFFAOYSA-N 303.318 3.112 0 40 DGAB C(=C/c1nn2c(-c3ccccn3)nnc2s1)\c1ccccc1 9575512 NDNOFQBCFCTKBU-MDZDMXLPSA-N 305.366 3.418 0 40 DGAB CC(C)Oc1ccc(NC(=O)N[C@@H](CCO)C(C)C)c(F)c1 76070225 SRNINZRSKMRCGX-AWEZNQCLSA-N 312.385 3.141 0 40 DGAB Cc1nnc([C@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)o1 76046808 ZAZCAILNUVBVEE-GWCFXTLKSA-N 303.410 3.058 0 40 DGAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@H](O)c3cccs3)cc12 76083840 LEEIIWFDNAACHQ-AWEZNQCLSA-N 318.373 3.140 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(OC)c(Cl)c2)[C@@H](C)C1 76058052 LHQOQJSQXCEWSV-WFASDCNBSA-N 324.852 3.085 0 40 DGAB CCN(C(C)=O)c1nc(CNc2ccccc2[C@@H](C)O)cs1 96999316 OCLMTEABUVIDIW-LLVKDONJSA-N 319.430 3.181 0 40 DGAB C[C@H](CC(N)=O)NC(=O)Nc1ccccc1SC1CCCC1 72295165 YIMCOQSAQLYVJK-LLVKDONJSA-N 321.446 3.107 0 40 DGAB Cc1cc(C)nc(NC(=O)N(C)Cc2cc(Cl)cn2C)c1 97143038 KOSANGTVRWNTTP-UHFFFAOYSA-N 306.797 3.354 0 40 DGAB Cc1cscc1C(=O)NC[C@@H]1CCN(C(=O)OC(C)(C)C)C1 97106954 BDWLEVQNSPMLLK-LBPRGKRZSA-N 324.446 3.043 0 40 DGAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@H](O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118923039 QUBMMHUOTQYUMC-GSDNACIXSA-N 320.473 3.296 0 40 DGAB C[C@H](OC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(F)c(F)c1 95449806 OKCLDQHANGDXOH-ZETCQYMHSA-N 313.687 3.225 0 40 DGAB O=C(c1cccc2cc[nH]c12)N1CCO[C@H](c2cccc(O)c2)C1 95424011 KGHNWAFWWKTVIL-KRWDZBQOSA-N 322.364 3.087 0 40 DGAB FC(F)(F)c1ccnc(NCc2cccc(-c3ncc[nH]3)c2)n1 95460520 DOSUHPKBUYBFPF-UHFFFAOYSA-N 319.290 3.498 0 40 DGAB Cc1ccc(NC(=O)NCCCCN2C[C@@H](C)O[C@H](C)C2)cc1 79064391 DYTFFNQWRCDKLN-HZPDHXFCSA-N 319.449 3.006 0 40 DGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCS[C@H]2CCCC[C@@H]21 79053816 QIDIKHRCQGBDHY-RCBQFDQVSA-N 323.433 3.480 0 40 DGAB COC[C@H](C)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 98056096 UQCHIVNTXUOIHG-HUYFXPKMSA-N 301.308 3.260 0 40 DGAB CC(C)C[C@@H](CCO)CNC(=O)N[C@H]1CCc2ccccc21 73561433 CSOGKZMBSVDOSG-PBHICJAKSA-N 304.434 3.018 0 40 DGAB C[C@@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1 75137121 PZHSOQJMBJKPBT-QMTHXVAHSA-N 320.780 3.057 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccc(OCC)cc2)o1 20033823 TZPBWPQHRVYOQM-UHFFFAOYSA-N 321.402 3.152 0 40 DGAB Cc1ccc(-c2nnc(CN(C)C(=O)Cc3ccccc3)o2)cc1 408714400 PYRNLRUZZKGBFT-UHFFFAOYSA-N 321.380 3.246 0 40 DGAB CC(C)N1CCC(c2cc(C(F)(F)F)nc3nccn23)CC1 72367728 QFYPBGHNJOKIED-UHFFFAOYSA-N 312.339 3.336 0 40 DGAB CC(=O)Nc1ccc(CNc2ncccc2OC(F)F)cc1 189272246 GMSVHKDRMLHROL-UHFFFAOYSA-N 307.300 3.254 0 40 DGAB Cc1ccc([C@H](C)NC(=O)c2cc(C)nc3c2cnn3C)c(C)c1 36615869 MZRMGGDWSMMNKQ-AWEZNQCLSA-N 322.412 3.385 0 40 DGAB CC(=O)N1CCC(Cc2ccnc(Cc3ccccc3)c2)CC1 72360601 KFRHJZACPWRPPZ-UHFFFAOYSA-N 308.425 3.473 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C1 72260054 DXGHVYGGOGOITL-VIFPVBQESA-N 311.307 3.454 0 40 DGAB CO[C@H]1c2ccccc2C[C@H]1Sc1nnc(N(C)C)s1 521395243 GJWMKSBGPARWFS-NEPJUHHUSA-N 307.444 3.009 0 40 DGAB CCOc1ccc(NC(=O)C2(C)CCCC2)cc1C(=O)OC 225787412 KHYUVIOOAHOKNK-UHFFFAOYSA-N 305.374 3.391 0 40 DGAB CC[Si](C)(C)CSc1nc(O)cc(=O)n1-c1ccccc1 221905023 WPKPAULDBPHYET-UHFFFAOYSA-N 320.490 3.298 0 40 DGAB O=C(O)c1cnc(-c2ccc(Cl)cc2)nc1N1CCCC1 49469032 SXDFKPHPPVUXQF-UHFFFAOYSA-N 303.749 3.095 0 40 DGAB C[C@@H](CNC(=O)CCc1ccncc1)Sc1ccccc1 81109114 JOHQRFMBJXRRMU-AWEZNQCLSA-N 300.427 3.311 0 40 DGAB CCCCOc1ccc(NC(=O)C2(OC)CCCC2)c(C)n1 225887601 YRNNSFRLKYTCAP-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CC[C@@H](C)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 96083707 UDWVXMIVRNHUPV-CQSZACIVSA-N 317.481 3.054 0 40 DGAB COc1ccnc(CSCc2nc(N)c3ccccc3n2)c1 97094901 YIKCORGBKWTCMA-UHFFFAOYSA-N 312.398 3.049 0 40 DGAB CCOc1cc(NC(=O)NC[C@@H](O)c2ccsc2)ccc1C 96418052 RYSNHRPWQRPRIB-CQSZACIVSA-N 320.414 3.310 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NC1(C)Cc2ccccc2C1 92244224 UTGBXVBWYNBYML-NSHDSACASA-N 313.401 3.209 0 40 DGAB Cc1cccn2c(CN[C@H](C)C[C@H](O)c3ccccc3)cnc12 95448814 NXWDYXDPSSRCGI-QAPCUYQASA-N 309.413 3.245 0 40 DGAB Cc1cc(N2CCC(CNC(=O)c3cccs3)CC2)ccn1 245015221 LRXFPNUMMKVCHR-UHFFFAOYSA-N 315.442 3.098 0 40 DGAB O=C(/C=C/c1ccccc1Cl)N1CC(Oc2cccnc2)C1 253475280 QVNBKWMUGATCFC-BQYQJAHWSA-N 314.772 3.038 0 40 DGAB CCOc1ccc(CNCc2cc(C(F)(F)F)n(C)n2)cc1 256049898 BXLQYRPWOKTIHG-UHFFFAOYSA-N 313.323 3.127 0 40 DGAB CC(C)Oc1nc2cccc(Br)c2cc1C(=O)O 685937040 IMUIZMYBGLNPJZ-UHFFFAOYSA-N 310.147 3.483 0 40 DGAB O=C(NCCC[C@@H]1CCCCO1)N[C@H]1CCc2ccccc21 97137926 MWIUEGSBKMSHQE-RDJZCZTQSA-N 302.418 3.322 0 40 DGAB CCOc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 5558782 BBNOIXZCZZYNQX-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB COC(=O)COc1ccc(-c2cc3ccccc3oc2=O)cc1 11766115 ITZRDWFHKULFOU-UHFFFAOYSA-N 310.305 3.012 0 40 DGAB CCOC(=O)/C(=C\c1ccc[nH]1)P(=O)(OCC)OCC 16957842 LLQRYQKRAKLSDM-ZRDIBKRKSA-N 301.279 3.185 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1F 17971002 MWXGPZZTZIHZSD-LLVKDONJSA-N 303.333 3.334 0 40 DGAB CC[C@H]1Oc2cc(N)ccc2N(Cc2ccccc2F)C1=O 19953816 BLETWYZZYAYJJA-OAHLLOKOSA-N 300.333 3.112 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ccnc(C(F)(F)F)c2)C1 1889098109 PIIYLTVVFDBSEU-ZDUSSCGKSA-N 323.318 3.462 0 40 DGAB CCOC(=O)C1=C(C)N(C)C(SC)=N[C@@H]1c1ccccc1 63631 PCVZWDOCJIWHOR-CQSZACIVSA-N 304.415 3.229 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C[C@@H](C)O1 35047604 OIELKWRUCPJWBR-SVDPJWKOSA-N 306.233 3.213 0 40 DGAB Cc1nc(S)sc1CC(=O)N1CCc2sccc2[C@H]1C 32845640 PWERGAOBZDBKQL-SECBINFHSA-N 324.496 3.490 0 40 DGAB Cc1cc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)no1 29121961 NQFMZGIDVFMKCZ-UHFFFAOYSA-N 304.394 3.024 0 40 DGAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027047 SCKWFJBWUFTIAS-XOBZYRBZSA-N 316.397 3.314 0 40 DGAB C[C@@H](N)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 32199670 SRVCPVNQBXHVIO-LLVKDONJSA-N 304.777 3.205 0 40 DGAB CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(F)cc2)c1C 8228688 TXRMHMPYJPXBKO-UHFFFAOYSA-N 322.361 3.207 0 40 DGAB Cc1ccc(S[C@H](C)C(=O)NCCCN2CCCCC2)cc1 10277119 RMWHCSULYXPAAX-MRXNPFEDSA-N 320.502 3.468 0 40 DGAB O=C(CCC(=O)c1ccccc1)Nc1ccc(N2CCCC2)nc1 22387233 RVJSBUZQBAVFLM-UHFFFAOYSA-N 323.396 3.283 0 40 DGAB CON(C)C(=O)c1cc(C(C)C)nc2c1c(C)nn2C(C)(C)C 42348914 NWVINJWVFLRBKY-UHFFFAOYSA-N 318.421 3.252 0 40 DGAB Cc1cc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)o1 23384580 REWUBWRNGNLGGK-SFHVURJKSA-N 313.397 3.482 0 40 DGAB CCn1nc(C)c2nc(C)nc(NCc3cccc(OC)c3)c21 57355261 KWHZJAOWQOZTGU-UHFFFAOYSA-N 311.389 3.084 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 104811776 ILKHTYLXMMANEQ-XYJRDEOASA-N 306.431 3.261 0 40 DGAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cccc(F)c1F)C2 108534441 YYRADSJINPSUMW-KBXCAEBGSA-N 322.399 3.045 0 40 DGAB C[C@H](C(=O)N[C@H]1CCc2ccccc21)N1CCc2ccccc21 58166878 RWFBMROCHVQRQU-KDOFPFPSSA-N 306.409 3.241 0 40 DGAB Nc1ccccc1C(=O)OCC(=O)Nc1cccc2ccccc12 1107050 NEXMBFSVZLOHCD-UHFFFAOYSA-N 320.348 3.218 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@@H]2CCC[C@@H]1COC2 101328555 YOHWAPICGRWOLD-ZIAGYGMSSA-N 323.820 3.277 0 40 DGAB CN(Cc1ccco1)C(=O)NCCCN(C)c1ccccc1F 57246485 NTEICUIEAQNWBH-UHFFFAOYSA-N 319.380 3.087 0 40 DGAB Cc1nc(CCNC(=O)[C@H](C)Oc2cccc(C)c2C)cs1 27988678 HMVJHMGJCVJRCA-ZDUSSCGKSA-N 318.442 3.195 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1F)Nc1cccc(Cl)c1 27350991 ZMJORTBPOTUOCG-CQSZACIVSA-N 308.740 3.334 0 40 DGAB Cc1ccccc1CNC(=O)CN1CCC[C@H]1c1ccccc1 10340530 UXTMTIIWIFJGAH-IBGZPJMESA-N 308.425 3.448 0 40 DGAB Cc1ccccc1CC(=O)NC(C)(C)c1noc(C(C)(C)C)n1 58343121 XQANGMJSTHHHQB-UHFFFAOYSA-N 315.417 3.270 0 40 DGAB CCn1c(CNC(=O)N(C)Cc2ccccc2)nc2ccccc21 58369735 XRHPSJAGTBPEHK-UHFFFAOYSA-N 322.412 3.398 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)[C@H]1CC=CCC1 58430419 YPGYGHHVCWWSPT-HNNXBMFYSA-N 309.369 3.350 0 40 DGAB N=C(N)NC[C@@H](c1ccccc1Cl)c1c[nH]c2ccccc12 58405057 BZLUYRFASXKCMM-ZDUSSCGKSA-N 312.804 3.436 0 40 DGAB Cc1cc(C(=O)OCC(=O)Nc2ccccc2Cl)c(C)o1 3250847 GFDLBKFELAZXCU-UHFFFAOYSA-N 307.733 3.345 0 40 DGAB Cc1ccc(C(=O)OCc2cnn(-c3ccccc3)c2)cc1O 12774854 SKHQLCGKYXVLDV-UHFFFAOYSA-N 308.337 3.243 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cn(Cc3ccccc3)nn2)c1 12803793 YYGMTYFAJOMHID-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CCn1nnc2cc(C(=O)N3CC[C@H]4CCCC[C@H]4C3)ccc21 23429540 PZNOOBNRJQUTOU-HIFRSBDPSA-N 312.417 3.104 0 40 DGAB Cc1cc(OCC(=O)Nc2ccc(C(F)(F)F)cc2)no1 12892908 ZTNPODAEGTWRCG-UHFFFAOYSA-N 300.236 3.019 0 40 DGAB Cc1cc2nc(C)c(CCC(=O)Nc3ccccc3)c(C)n2n1 7666838 ZVGRJOLWASBHGO-UHFFFAOYSA-N 308.385 3.226 0 40 DGAB O=C1CN(C(=O)c2cc3c(s2)CCCC3)c2ccccc2N1 12993491 GXPZQXWPORIYDD-UHFFFAOYSA-N 312.394 3.226 0 40 DGAB CC(C)n1c(C(=O)O)cc(Br)c1Br 68590795 HPEQRVOOMHWKPK-UHFFFAOYSA-N 310.973 3.292 0 40 DGAB COC(=O)/C=C/c1ccc(OC(=O)c2occc2C)c(OC)c1 22764882 PSBUUWRGAHXHBK-FNORWQNLSA-N 316.309 3.002 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CCC(=O)N1[C@@H](C)CCC[C@H]1C 6250065 WGZLMVFPQBJSFZ-GEEKYZPCSA-N 308.466 3.346 0 40 DGAB COc1ccc(C)cc1CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 5313147 ZLAVMYYLDRFRCG-ACJLOTCBSA-N 316.401 3.004 0 40 DGAB Cc1nc(C)c(C(=O)OCc2nc(-c3ccsc3)no2)s1 14122550 FBGIRDLGFZBVHL-UHFFFAOYSA-N 321.383 3.228 0 40 DGAB c1csc(-c2nnc(SCc3ncon3)n2C2CC2)c1 14171596 LCIIUOXJLWXLGA-UHFFFAOYSA-N 305.388 3.017 0 40 DGAB Cc1cccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)c1 4700488 JAXNXOCHHZCPRW-QGZVFWFLSA-N 314.473 3.466 0 40 DGAB O=C(Nc1ccc(F)cc1)c1cccc(CN2CCCC2=O)c1 7070645 HBHNAEAHSIROMN-UHFFFAOYSA-N 312.344 3.200 0 40 DGAB CCOc1ccc2nc(NC(=O)c3cc(C)no3)sc2c1 8849562 SQZPWXJKMJHBEZ-UHFFFAOYSA-N 303.343 3.244 0 40 DGAB CCn1c(CN2CC[C@H](Oc3ccncc3)C2)nc2ccccc21 93866302 JQRMJNLYVJIYOM-INIZCTEOSA-N 322.412 3.105 0 40 DGAB CC(C)(C)C1CCC(O)(CNC(=O)CCc2cscn2)CC1 71898096 LTWIVRPGAFAVGN-UHFFFAOYSA-N 324.490 3.159 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)Nc1ccc(Cl)c(F)c1 72292602 ALYMHGKJUBVTRE-LBPRGKRZSA-N 314.769 3.396 0 40 DGAB Cc1csc(CCCNC2CCN(c3nccs3)CC2)n1 97081012 BEXPLHBLDCQPGC-UHFFFAOYSA-N 322.503 3.099 0 40 DGAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccc(Cl)cn1 87482052 OIJXQFJEZWEXIF-MRXNPFEDSA-N 318.804 3.239 0 40 DGAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NC(C)C)cc1 72328973 QASLDBRTNKUCLH-UHFFFAOYSA-N 301.390 3.394 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)no1 76043941 FUYSNHNZNADVDO-LSDHHAIUSA-N 311.385 3.026 0 40 DGAB CCc1cnc(CNC(=O)NCc2cccc(Cl)c2)s1 76083964 RDGCLZHNWVSNQI-UHFFFAOYSA-N 309.822 3.358 0 40 DGAB CS(=O)(=O)c1ccccc1[S@@](=O)CCCC1CCCC1 95419254 NTNJVCICUGTEPH-LJQANCHMSA-N 314.472 3.168 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)c1nc[nH]n1 95460865 DLVWLPGSYMKMBT-LLVKDONJSA-N 315.377 3.009 0 40 DGAB CCc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)o1 95989327 JSTDHVPBOWQONJ-AWEZNQCLSA-N 319.332 3.235 0 40 DGAB CC[C@@H](NC(=O)c1cccc(C2OCCO2)c1)c1ccncc1 95978817 NMYYQTGORGTXGR-MRXNPFEDSA-N 312.369 3.008 0 40 DGAB CCOCCN1CCN([C@@H](C)CCc2ccccc2)C[C@@H]1C 95950832 GZSUCVASCKHUNC-ROUUACIJSA-N 304.478 3.050 0 40 DGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)N[C@H](C)c1ccccc1 408998468 MANMZMFSNXDZDC-KGLIPLIRSA-N 312.369 3.041 0 40 DGAB CCOc1ccc(CNS(=O)(=O)c2ccc(F)c(C)c2)cc1 74987163 KUIZVYVXBFUMSV-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB CC(=O)N1CCC[C@@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214431 WXWMNPPGWRFHDK-CQSZACIVSA-N 319.405 3.136 0 40 DGAB CCN(CC)c1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)o1 211536819 CKJXZWVTDDMYIK-FLIBITNWSA-N 323.374 3.035 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 70867997 CMTNIPOMTXEXBZ-ZETCQYMHSA-N 311.300 3.457 0 40 DGAB Cc1ccc2nc(SCc3ccccc3C)n(N)c(=O)c2c1 71768862 MVOJXSWKRWRQPG-UHFFFAOYSA-N 311.410 3.019 0 40 DGAB Nc1ccc(NC(=O)/C=C/c2ccco2)c(Br)c1 227157996 XNOLCNDHORKBBK-GQCTYLIASA-N 307.147 3.276 0 40 DGAB CCc1ccc(N(C)S(=O)(=O)c2ccc(OC)cc2)cc1 224856559 SPHPYIYQNGHZDK-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccc(OC)c(OC)c1OC 43214416 INLRXPJGCBXANV-UHFFFAOYSA-N 324.373 3.019 0 40 DGAB CCC[C@H](C)NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 44899928 WJYBPLBQHZHMHL-NWDGAFQWSA-N 311.447 3.489 0 40 DGAB Cc1ccccc1[C@@H](NS(=O)(=O)Cc1ccon1)C(C)(C)C 80283013 DXTWFAGYDBLSPD-OAHLLOKOSA-N 322.430 3.190 0 40 DGAB CN(C)c1ccc(-c2nnc([C@H]3CCN(CC4CC4)C3)o2)cc1 49170257 HXEMZFKVGPLGOS-HNNXBMFYSA-N 312.417 3.002 0 40 DGAB biogenic,in-vitro COc1cc([C@H]2C[C@@H](O)c3ccccc3N2)cc(OC)c1OC 225817188 GXHKCMCWXWGCDJ-HUUCEWRRSA-N 315.369 3.303 0 40 DGAB C[C@H](NC(=O)Nc1ccc2c(c1)OC(C)(C)O2)c1cccnc1 48542974 XPWIZUSQFCQLFL-NSHDSACASA-N 313.357 3.472 0 40 DGAB CC[C@H](CN[C@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 195549897 IXVSKCSMQYRPDP-DOMZBBRYSA-N 315.866 3.000 0 40 DGAB Cc1cc(C(=O)N(Cc2ccsc2)CC(F)(F)F)no1 44447443 FTAVZKJKPJSNQM-UHFFFAOYSA-N 304.293 3.249 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccc(F)cc2)C1 89223588 WRKFFLDTHRUFCE-CQSZACIVSA-N 308.397 3.172 0 40 DGAB COc1ccc(-c2cnc(-c3ccccc3C(N)=O)o2)c(OC)c1 224929224 VYYDETZFDSAFNV-UHFFFAOYSA-N 324.336 3.125 0 40 DGAB O=C([C@H]1CCCO1)N(CCC(F)(F)F)Cc1ccccc1 191942147 FCOPSQGFSHSOCW-CYBMUJFWSA-N 301.308 3.147 0 40 DGAB COc1ccccc1[C@@H](N[C@H]1CCC(=O)N(C)C1)C1CCCC1 91344101 AKEWYXYTFMEQLO-KXBFYZLASA-N 316.445 3.137 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)Cc1cccs1 96440762 UQSICWPZUVGJER-MHEUCROKSA-N 322.474 3.039 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cccnc1 96221890 RXVMTSRPZCRHTK-KRWDZBQOSA-N 321.380 3.379 0 40 DGAB biogenic CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2cccs2)C1 96435903 FFFZWSOCSMQOOI-NEPJUHHUSA-N 324.446 3.058 0 40 DGAB Fc1ccc2c(c1)nc1n2[C@@H](CNC2CCCCC2)COC1 96112723 JJASPKMHRCDRQN-AWEZNQCLSA-N 303.381 3.169 0 40 DGAB biogenic,in-vitro CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccnc1 96412202 TXSCASQGTGOAJV-IAQYHMDHSA-N 304.777 3.241 0 40 DGAB Cc1nc(CC(=O)N2CCC[C@@H]2CCc2ccncc2)cs1 257270565 MUSQWAHFZBFZNC-MRXNPFEDSA-N 315.442 3.013 0 40 DGAB CCNC(=O)C1(Cc2cccc(-c3ccncc3)c2)CCOCC1 257339052 ZAABOJYFJGRODD-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB CCC(F)(F)CN1CCC(C(=O)N2CCC(C)CC2)CC1 585141479 VIXIZSPULYNWCP-UHFFFAOYSA-N 302.409 3.002 0 40 DGAB C[C@H](N[C@H](C)c1nnnn1-c1ccccc1)c1cccc(F)c1 51592830 USJWJHWCRGEJLB-QWHCGFSZSA-N 311.364 3.213 0 40 DGAB Cc1csc(-c2ccc(C(=O)N3CCOC(C)(C)C3)cc2)n1 69438355 NAYRTMKPGMNCKQ-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 97035904 SFKVXILLGUNWRQ-STQMWFEESA-N 319.382 3.076 0 40 DGAB CC(C)Sc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 1573702 JULWUSXLGWOTLL-AATRIKPKSA-N 322.411 3.376 0 40 DGAB COc1cccc(C(=O)NCC2CCN(C3CCCC3)CC2)c1 23127968 ATTQANIJMPLQOZ-UHFFFAOYSA-N 316.445 3.080 0 40 DGAB Cc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1C 12490482 FEZUWXWLSSFCPV-UHFFFAOYSA-N 307.397 3.473 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(O)c(Cl)c2)cc1 20565625 AJNNDOPJGPROEH-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1ccccc1F 13695889 PQJVEQQYQCBIMV-UHFFFAOYSA-N 324.355 3.377 0 40 DGAB COc1cccc(CCNC(=O)C2(c3ccc(F)cc3)CC2)c1 21695685 HIYIPEBCUFHDQA-UHFFFAOYSA-N 313.372 3.225 0 40 DGAB COc1ccc(C[C@@](C)(O)CNc2nc3ccccc3o2)cc1 1775970169 FGDPFCRVQXONGH-GOSISDBHSA-N 312.369 3.242 0 40 DGAB Cc1cncc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1775972219 DHAZLJXZZPLVLA-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB Cc1ccsc1CCC(=O)N1CCC[C@H](c2cnn(C)c2)C1 1775965379 AOAZHMXGKOANRK-AWEZNQCLSA-N 317.458 3.129 0 40 DGAB CCc1nccn1CC1CN(c2nc(C(F)(F)F)cs2)C1 2086881855 NRHFNEXTOQLJEX-UHFFFAOYSA-N 316.352 3.057 0 40 DGAB O=c1cc(C2CC2)ncn1CC1CCN(Cc2ccccc2)CC1 585629616 PFIYJDAFRLXOIF-UHFFFAOYSA-N 323.440 3.033 0 40 DGAB Nc1nc(Cl)cc(NCc2csc(-c3ccccc3)n2)n1 40067540 KSIPIXGHYGSFPV-UHFFFAOYSA-N 317.805 3.448 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)NC[C@H](C)c1ccccc1 7963119 GMZCYFSXGKFBCM-INIZCTEOSA-N 324.424 3.035 0 40 DGAB CCOC(=O)c1oc(NC(=O)OC(C)(C)C)nc1C(F)(F)F 40566592 JAAIWTFENIJVER-UHFFFAOYSA-N 324.255 3.217 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2C)C1 40525465 IXKFLOBGNKOCBN-OAHLLOKOSA-N 318.417 3.419 0 40 DGAB Cc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)c(C)c1 3659673 FBFKKILFTRNZKI-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB O=C(NC1CCCCCCC1)C(=O)NC1CCCCCCC1 6021917 MVEMCAZOFPHRRG-UHFFFAOYSA-N 308.466 3.445 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)cc1 101275807 OSRZOTUUDQAZFX-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB COc1ccc(-c2csc(NC[C@@H]3CCCO3)n2)cc1OC 21264792 JJPFZTAQDZCJNA-LBPRGKRZSA-N 320.414 3.418 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)c1cccc(OC)c1 10543028 KTQHYOGFMBPJIE-INIZCTEOSA-N 304.434 3.080 0 40 DGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCCC1 32975343 QEBYYMFNLMNYIN-MRXNPFEDSA-N 317.433 3.235 0 40 DGAB COc1ccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 103333577 SDUIGRKHNCDYNF-WZRBSPASSA-N 306.431 3.179 0 40 DGAB CCc1ccc(NC(=O)CCn2cc(Br)cn2)cc1 28237615 FIQFJVWJWONAJT-UHFFFAOYSA-N 322.206 3.237 0 40 DGAB Cn1cc(NC(=O)COC(c2ccccc2)c2ccccc2)cn1 25306084 RJVHNMJAXFYFNR-UHFFFAOYSA-N 321.380 3.165 0 40 DGAB CN(C)CCNCc1ccccc1OCc1ccccc1F 22075305 QNPGCGQCJIGSNX-UHFFFAOYSA-N 302.393 3.056 0 40 DGAB Cc1ccc(C[C@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)cc1 107348844 FXQKLJFGBGTUDV-UYAOXDASSA-N 322.452 3.476 0 40 DGAB CCCCOC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 3097059 GDYOAZOQAVNWKW-UHFFFAOYSA-N 323.348 3.444 0 40 DGAB Cc1cc(OCC(=O)O)ccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 108070271 JBLFHLIABKJVJP-IHRRRGAJSA-N 317.385 3.223 0 40 DGAB CCCCCOC(=O)[C@H](C)n1cnc2sc(CC)cc2c1=O 1892815 CGKYCMLKFBMRCT-NSHDSACASA-N 322.430 3.315 0 40 DGAB O=C(Cc1ccccc1F)N[C@H](Cc1ncc[nH]1)c1ccccc1 12538754 FTPSRBFRPYWVIV-QGZVFWFLSA-N 323.371 3.192 0 40 DGAB CCn1cc(CN(C)C(=O)c2cc(Cl)ccc2Cl)cn1 28222039 NPAAXXADSMZNDN-UHFFFAOYSA-N 312.200 3.482 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58190789 FGSCQOIDKUMGGS-UONOGXRCSA-N 320.383 3.264 0 40 DGAB COCCCNC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 44894223 URPHVRLXAFMLJM-UHFFFAOYSA-N 322.792 3.080 0 40 DGAB COc1ccc(C(=O)Nc2onc3c2CCCC3)cc1Cl 27662386 PBRJEPWOWRMLED-UHFFFAOYSA-N 306.749 3.468 0 40 DGAB C[C@@H](NC(=O)c1c(F)cccc1F)c1ccc2c(c1)OCO2 27692526 BZZYPXNSFJZDTP-SECBINFHSA-N 305.280 3.185 0 40 DGAB Cc1ccccc1[C@H]1CCCN1C(=O)CNC(=O)c1ccccc1 58391516 JONUBONGADLKGA-GOSISDBHSA-N 322.408 3.089 0 40 DGAB CCCOC(=O)COC(=O)c1c(Cl)ccc(Cl)c1OC 2270230 GBXZSVWRSVZNNU-UHFFFAOYSA-N 321.156 3.112 0 40 DGAB O=c1c(Cl)c(Cl)cnn1Cc1cc(-c2ccccc2)on1 8221178 DLJVVHYLOFGUAV-UHFFFAOYSA-N 322.151 3.253 0 40 DGAB Cc1ccccc1C(C)(C)C(=O)N(C)Cc1cccc(C(N)=O)c1 58696769 SYKHELYNVRPGHO-UHFFFAOYSA-N 324.424 3.030 0 40 DGAB COCc1cccc(C(=O)Nc2cc(C(=O)OC)ccc2C)c1 8249290 IWBGHRXTIRCRBQ-UHFFFAOYSA-N 313.353 3.180 0 40 DGAB CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccco2)c1 48258411 RNLPOQRDXGJMTB-UHFFFAOYSA-N 301.346 3.258 0 40 DGAB Cc1ccc(Cl)c(OCC(=O)NCc2ccccc2F)c1 3455877 ZBNDGJGPTGSDLX-UHFFFAOYSA-N 307.752 3.483 0 40 DGAB O=C(CSc1ncnc2ccccc12)NCCc1ccccc1 3477322 ZZALUHFYWNYDSY-UHFFFAOYSA-N 323.421 3.081 0 40 DGAB c1nc(Nc2ccc(N3CCOCC3)cc2)c2ccsc2n1 3406881 JFJFKBIQVVEVGV-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB Cc1c(C(=O)N2CCc3ccccc32)cnn1-c1ccccc1 13006786 XYUHONMQHGLISC-UHFFFAOYSA-N 303.365 3.384 0 40 DGAB O=C(O)C1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 13167512 RYVLMKNPCMBVIK-UHFFFAOYSA-N 317.316 3.023 0 40 DGAB O=C(NCC(F)(F)F)c1ccc(C(=O)c2ccccc2)cc1 5273232 ORGPTSOPDKCTNI-UHFFFAOYSA-N 307.271 3.210 0 40 DGAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCCC[C@@H]3C)ccc(F)c21 14085672 QUOKKMDKZUKMGY-RYUDHWBXSA-N 319.376 3.295 0 40 DGAB NC(=O)[C@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 14073840 ZNCHSBQPKUAWQV-CYBMUJFWSA-N 323.270 3.089 0 40 DGAB c1ccc(-c2nnn(Cc3ncc(-c4ccccc4)o3)n2)cc1 6652056 SYPYRAKQLDJEST-UHFFFAOYSA-N 303.325 3.043 0 40 DGAB O=c1oc(-c2ccc(Br)cc2)nc2ccc(O)cc12 4824836 NUOPQQKCDNGBMW-UHFFFAOYSA-N 318.126 3.323 0 40 DGAB COC[C@@H](C)N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 6936875 JYRYQKRUFMXQBK-HUUCEWRRSA-N 312.413 3.305 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 16139083 FQZZKULUICLZOA-OAHLLOKOSA-N 323.348 3.467 0 40 DGAB O=C(COCC1CC1)NC(c1cccs1)c1cccs1 71915269 IEPHRWISYBBOTM-UHFFFAOYSA-N 307.440 3.442 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)c(F)c1 89948882 RMFOJBAZBPVBBZ-BBRMVZONSA-N 312.816 3.216 0 40 DGAB CC(=O)N1CC[C@@H](NC(=O)N(c2ccccc2)c2ccccc2)C1 96007752 DAHGENCJEJXAHP-MRXNPFEDSA-N 323.396 3.155 0 40 DGAB CO[C@]1(C)C[C@@H](NC(=O)N[C@H](C)c2nc(C)cs2)C1(C)C 76091754 CIDHKVCFDRWDGB-UEKVPHQBSA-N 311.451 3.015 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)c3ncoc3CC)C2)n1 72292377 OSLGJLPHWHTJDY-LLVKDONJSA-N 319.430 3.276 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)no1 72232355 RKBBHURZJWOHJR-SNVBAGLBSA-N 322.796 3.194 0 40 DGAB C[C@H](CN(C)C(=O)NC[C@@H]1Cc2ccccc21)c1nccs1 97107882 DEJAPOIDTCRPBS-OCCSQVGLSA-N 315.442 3.228 0 40 DGAB CC[C@H]1C[C@@H](C(=O)Nc2ccc(-c3ncccn3)cc2)CCO1 97235978 ZDHVAGVSVTZCJB-HOCLYGCPSA-N 311.385 3.287 0 40 DGAB O=C(Nc1cccnc1-n1cc(Cl)cn1)C1CCCCC1 72404095 KUNGLLNTRHBDJN-UHFFFAOYSA-N 304.781 3.440 0 40 DGAB CCc1nc2c(s1)[C@@H](OC(=O)c1ncoc1CC)CCC2 95414203 YCOIMBAUZHQSSO-NSHDSACASA-N 306.387 3.490 0 40 DGAB C[C@@H](OC[C@H]1CCCO1)C(=O)O[C@@H]1CCSc2ccccc21 110577261 VZAHCDAQVZLKRO-UMVBOHGHSA-N 322.426 3.351 0 40 DGAB C[C@H](NCCNC(=O)OC(C)(C)C)c1ccc2ccccc2n1 95421470 UTPGPPFYUSOLHG-ZDUSSCGKSA-N 315.417 3.410 0 40 DGAB COC[C@H](NCc1cccc(NC(=O)C2CCCC2)c1)C1CC1 95420594 AQPQFNISEDXAGV-SFHVURJKSA-N 316.445 3.330 0 40 DGAB Cc1cccnc1COc1ccc(C(=O)NCC(F)(F)F)cc1 95458696 BRZCAOUCDNJYGC-UHFFFAOYSA-N 324.302 3.261 0 40 DGAB CCc1cnc([C@H](C)NC(=O)Cc2ccccc2OC)s1 79018869 UATPQUVYVFRVGX-NSHDSACASA-N 304.415 3.134 0 40 DGAB CC(C)OCCCN(C)[C@@H]1CCN(c2ccccc2Cl)C1=O 95958277 CWXPPRNAKBNJDL-MRXNPFEDSA-N 324.852 3.192 0 40 DGAB COCCn1nc(C)c(NC(=O)c2coc3ccccc23)c1C 79659238 DPMBEXWHZIITJG-UHFFFAOYSA-N 313.357 3.145 0 40 DGAB COC(=O)c1ccc([C@H](C)N2CCO[C@H](c3ccc(C)o3)C2)o1 89266691 WUAJKNNCYMKXNV-LRDDRELGSA-N 319.357 3.102 0 40 DGAB Cc1cc(C(=O)NCc2nc3ccccc3n2C)c(C)n1C1CC1 9915600 NTEPHGHYGACPNQ-UHFFFAOYSA-N 322.412 3.257 0 40 DGAB CC[C@@H](C)N1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 1556627035 XLTAYXZUKVAVAR-LSDHHAIUSA-N 322.880 3.461 0 40 DGAB CC(=O)N1CC(c2nc(C)cc(-c3ccc(Cl)cc3)n2)C1 72360764 KKQCGKRDBKXBQJ-UHFFFAOYSA-N 301.777 3.051 0 40 DGAB Cc1cc(OCn2ccc(C(=O)N3CCCC3)n2)ccc1Cl 32610876 BAHZYQPYZAJIRQ-UHFFFAOYSA-N 319.792 3.117 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCCC[C@@H]2C)c(C)cc1C 72414609 DYGPYAFDMSXCBB-AWEZNQCLSA-N 311.447 3.265 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1cccc(O)c1 72336911 SFARDGHPXZAXQZ-PBHICJAKSA-N 320.396 3.005 0 40 DGAB CCOc1cc(N2CCC(c3nc(C)cs3)CC2)ncn1 123132371 NCYAWUAJFKYBKO-UHFFFAOYSA-N 304.419 3.024 0 40 DGAB C[C@@H]1CCC[C@H](OCc2cccc(NC(=O)N(C)CCO)c2)C1 77694644 KORYFLJUJCBGEZ-PBHICJAKSA-N 320.433 3.238 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)Nc2cc(Cl)c(Cl)cn2)n1 72529876 CBROWRXIZHGQKO-VIFPVBQESA-N 313.188 3.401 0 40 DGAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccnn1C 189483476 GJENSCKMUWANTO-BLLLJJGKSA-N 305.809 3.036 0 40 DGAB CN(Cc1nccs1)C(=O)c1c(O)cc(Cl)cc1Cl 80034572 MNDDVDMYQJYGSA-UHFFFAOYSA-N 317.197 3.428 0 40 DGAB CC(C)Oc1ccc(CNC(=S)Nc2cccnc2)cc1 225448229 ICCGPVZFZUUTKE-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB CN1CCN(c2nc(Nc3ccccc3)nc3ccccc23)CC1 41152433 XIFIXMLAUKTDGM-UHFFFAOYSA-N 319.412 3.125 0 40 DGAB COc1ccc(C(=O)n2cc(C=O)c3ccccc32)cc1OC 49920253 ZRBUHWJOHVOZOV-UHFFFAOYSA-N 309.321 3.160 0 40 DGAB COc1cccc(N(C)C(=O)COc2ccc(Cl)cc2)c1 222971580 GWDOWAZZVATEKR-UHFFFAOYSA-N 305.761 3.390 0 40 DGAB FC(F)(F)c1ccc(SCCO[C@H]2CCCCO2)nn1 193444874 QZLDAEWQVGSRLY-NSHDSACASA-N 308.325 3.131 0 40 DGAB COc1cccc(OCCNC(=O)Cc2ccc(C)cc2C)c1 225153102 WVXRJZJPTFHWFO-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CCc1oc2ccccc2c1CC(=O)N[C@@H]1COCC1(C)C 529464573 RHZYTZYTPMOWTK-MRXNPFEDSA-N 301.386 3.079 0 40 DGAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(Cc3cnn(C)c3)C[C@@H]21 96251696 AITYBBKTZHCYPH-UFYCRDLUSA-N 324.472 3.031 0 40 DGAB O=C(NCc1noc(C2(c3ccccc3)CC2)n1)c1ccccc1 95406760 DIHBUXCNZVPHBR-UHFFFAOYSA-N 319.364 3.080 0 40 DGAB COc1ccnc(NCc2ccc(OCC(F)(F)F)cc2)n1 97035856 KVWHRFOQSWTFBW-UHFFFAOYSA-N 313.279 3.038 0 40 DGAB CO[C@@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccnc1 96412201 TXSCASQGTGOAJV-XHDPSFHLSA-N 304.777 3.241 0 40 DGAB COC(=O)[C@H](C)CSCc1noc(-c2ccccc2C)n1 96471991 GUZMRELMATYZTN-LLVKDONJSA-N 306.387 3.087 0 40 DGAB O=C1N(Cc2cccc(F)c2)CC[C@]12CCN(CC1CCC1)C2 96159692 MCIOEVLAYHTGRV-IBGZPJMESA-N 316.420 3.050 0 40 DGAB O=C(O)CCc1ccccc1C(=O)NC1CC(c2ccccc2)C1 585134069 CHTIGFVLYOHIJF-UHFFFAOYSA-N 323.392 3.380 0 40 DGAB CSC[C@@H](C)c1nc(-c2ccncc2Br)no1 585120281 DICNEQQTWDFXSM-SSDOTTSWSA-N 314.208 3.361 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@H]2CCC[C@@H]21 53376826 JPRYGXFMHQKSRB-ROUUACIJSA-N 312.413 3.271 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc(-c2ccncc2)no1 69770562 ZPXSZAVLWDCBPE-GFCCVEGCSA-N 312.348 3.464 0 40 DGAB Brc1ccc(C2(NCC3CCOCC3)CC2)cc1 75611026 BQBWDLOKKGYPNQ-UHFFFAOYSA-N 310.235 3.454 0 40 DGAB CC(C)c1ccc2c(c1)[C@H](NC[C@@H]1CCS(=O)(=O)C1)CCC2 90401300 PSZNKNJIHCCLST-KBXCAEBGSA-N 321.486 3.212 0 40 DGAB CC[C@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C)nc1 189476430 QIZWHVNETJCZCG-IBGZPJMESA-N 312.413 3.193 0 40 DGAB COc1ccc2c(c1)CC[C@H]([C@H]1OC(=O)c3ccccc31)C2=O 11691431 FEFXLFJQCQUHKV-WMZOPIPTSA-N 308.333 3.352 0 40 DGAB O=C(c1ccc(F)cc1)N1CCO[C@H](c2ccc(F)cc2)C1 29112324 YGXMWOZYXXOTNN-INIZCTEOSA-N 303.308 3.179 0 40 DGAB Cc1nc2ccc(C(=O)Nc3cccc(Cl)c3)nn2c1C 2087045634 NZJVKDFJTWJHFS-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1cccc2ccccc12 62315 DPFAJACZNFMVPC-INIZCTEOSA-N 310.353 3.031 0 40 DGAB COc1ccc(-c2cc(CC(=O)N3CCCC[C@H]3C)no2)cc1 12866126 YOIIIEOGIUPCLQ-CYBMUJFWSA-N 314.385 3.294 0 40 DGAB CCN(CC=C(C)C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 14184403 KEQPKTDBEPIHBW-UHFFFAOYSA-N 305.809 3.365 0 40 DGAB O=S(=O)(c1cccc(F)c1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775973942 RQKQUBDZKOSJTC-HOTGVXAUSA-N 321.417 3.478 0 40 DGAB O=C(N[C@@H]1CCC12CCOCC2)c1ccccc1Br 585409435 SCLINUZLWACTMQ-CYBMUJFWSA-N 324.218 3.138 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1cccc(Cl)c1Cl 6652457 PNKGCMLNGQWMAG-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB Cn1c(S[C@H]2OC(=O)c3ccccc32)nnc1-c1ccccc1 96191759 IOGWKJVTRFWKNO-MRXNPFEDSA-N 323.377 3.443 0 40 DGAB COc1ccc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc2c1 192832 LTQVIFWXUMMVAT-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=S)NC1CC(C)(C)NC(C)(C)C1 7570380 DXMZXLDBDTUPSJ-TZMCWYRMSA-N 311.539 3.338 0 40 DGAB COc1ccc(CCC(=O)Nc2ccccc2F)cc1OC 3608737 CBVDOVZFIHGVOI-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB c1csc(-c2nc(CN3CCc4[nH]ncc4C3)cs2)c1 20865973 KHTQNKZRQNQVFT-UHFFFAOYSA-N 302.428 3.153 0 40 DGAB Cc1csc(CNC(=O)N[C@@H]2CCCOc3ccccc32)n1 69514400 MYLCVQDCXBQDHM-CYBMUJFWSA-N 317.414 3.165 0 40 DGAB Cc1oc(-c2cccs2)nc1CN1CCC[C@@H](CCO)C1 51916918 JCGAKFNISRWOHX-ZDUSSCGKSA-N 306.431 3.306 0 40 DGAB Brc1cccc(NCn2nnc3ccccc32)c1 363072 VVRNXNZGYSJLGT-UHFFFAOYSA-N 303.163 3.263 0 40 DGAB O=C(O)/C=C/c1cnc(-c2ccc(Br)cc2)nc1 8731022 ZMBFLSYEDIAKQE-LZCJLJQNSA-N 305.131 3.004 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)Sc2nnc3ccccn23)cc1 2645610 LXRWCWWEBXCVNG-LBPRGKRZSA-N 312.398 3.157 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1cccs1 22131919 ZWTWXTJMQNFIDE-AWEZNQCLSA-N 303.431 3.005 0 40 DGAB Cn1cc(C(=O)N(Cc2ccccc2)Cc2ccccc2)cn1 53459218 LUMOHCLGVROYFL-UHFFFAOYSA-N 305.381 3.263 0 40 DGAB O=C(NC1CCCCCCC1)N1CCN(c2nccs2)CC1 22424386 COTHIUSOZSGEHR-UHFFFAOYSA-N 322.478 3.088 0 40 DGAB C[C@H](NC(=O)c1cccc(C(N)=O)c1)c1cc2ccccc2o1 23056069 KIQMXKCEUVUFSS-NSHDSACASA-N 308.337 3.023 0 40 DGAB O=S(=O)(c1cccc(F)c1)N(Cc1ccccc1)C1CC1 23053306 WIFFXBWOOJHHNX-UHFFFAOYSA-N 305.374 3.179 0 40 DGAB CC(C)c1noc(CCCNC(=O)C(C)(C)c2ccccc2)n1 61457544 FGZOAEFUCQASHS-UHFFFAOYSA-N 315.417 3.220 0 40 DGAB Cc1cc(C)n(Cc2cccc(NC(=O)c3c(C)noc3C)c2)n1 69660196 LQBRCKFABHKOAU-UHFFFAOYSA-N 324.384 3.405 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N[C@@H](C)c3cccs3)ccc21 23436353 PJGQGRGRQFJULG-NSHDSACASA-N 314.410 3.148 0 40 DGAB Cc1cccc([C@@H](CC(=O)N[C@@H](C)CCC(C)C)NC(N)=O)c1 24463468 IAMQPSBUHFLLIP-GOEBONIOSA-N 319.449 3.035 0 40 DGAB CC(=O)c1cc(F)ccc1OCC(=O)c1cc(C)n(C)c1C 24765066 LZNJTBBZZNWJOP-UHFFFAOYSA-N 303.333 3.245 0 40 DGAB Cc1nnc(NC(=O)NCCCO[C@@H](C)c2ccccc2)s1 43408772 GTCRSKRPLPKLBY-NSHDSACASA-N 320.418 3.136 0 40 DGAB O=C(NC[C@H]1CCCO1)Nc1ccccc1SC(F)F 43552841 KPNLWUDMIKTHIN-SECBINFHSA-N 302.346 3.302 0 40 DGAB O=C(/C=C/c1ccccn1)NCc1cc(-c2ccccc2)no1 57380226 BUWNVCJKCRDLHM-MDZDMXLPSA-N 305.337 3.066 0 40 DGAB Cc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCCO3)no1 27055129 MZOGJTMPPQONRQ-MRXNPFEDSA-N 314.385 3.481 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3nccs3)o2)cc1 44872199 BUFMGNOGHWBERM-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB CCN(CC)C[C@H](C)OC(=O)c1ccc(Br)cc1 2180631 YGEFIJNKXDWELI-NSHDSACASA-N 314.223 3.336 0 40 DGAB O=C(c1ccccn1)N1CCC(Nc2ccccc2Cl)CC1 58244926 QRKFDFCHZRLKKF-UHFFFAOYSA-N 315.804 3.452 0 40 DGAB CN(C(=O)c1cc(-c2cccnc2)on1)[C@H]1CCc2ccccc21 44936824 LCMVITOXUUOQSZ-KRWDZBQOSA-N 319.364 3.496 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Nc2nnc(C3CC3)s2)on1 44972435 XTSQGOGMTUACFC-JTQLQIEISA-N 319.390 3.081 0 40 DGAB Cn1c(CN(Cc2ccccc2)Cc2ccco2)nnc1C1CC1 58342723 OHDMFPWMYGTHLL-UHFFFAOYSA-N 322.412 3.488 0 40 DGAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)CCN3)c1 20431805 FMJWOXTYIOISRG-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)N[C@@H]2CCc3ccccc32)C1 48283976 XRYPQJJGHAEXRX-MAUKXSAKSA-N 315.461 3.095 0 40 DGAB O=C(CN(Cc1c(F)cccc1Cl)C1CC1)N1CCCCC1 48375403 SDQVGDMDGRKSHM-UHFFFAOYSA-N 324.827 3.456 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 48309530 HATJZHBAHYJBGH-NVXWUHKLSA-N 318.436 3.439 0 40 DGAB COc1ccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)cc1 29607507 AYCIWEZHMKEEEM-ZIAGYGMSSA-N 315.335 3.475 0 40 DGAB COc1ccc2c(CC(=O)NCCc3ccccc3)coc2c1 3607479 OBDJFZJYXINJFA-UHFFFAOYSA-N 309.365 3.343 0 40 DGAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2ccccn2)cc1 81329151 DXONSYKEWUFNGZ-SFHVURJKSA-N 324.424 3.254 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccc(C)o2)cc1 14086183 BSDYLRMYYVYEDG-UHFFFAOYSA-N 300.358 3.322 0 40 DGAB O=C(NCc1nccs1)c1ccccc1C(=O)c1ccccc1 69321703 MLAAOVJBVMAPQF-UHFFFAOYSA-N 322.389 3.304 0 40 DGAB Cc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)cc1C 4510854 CCURHSFBSBBUFE-IBGZPJMESA-N 309.365 3.414 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccc(C)cc2)c1C 4548136 ZHVFVXNNCHJBHA-UHFFFAOYSA-N 315.369 3.378 0 40 DGAB CN(Cc1ccc(F)cc1)C(=O)c1cc(Cl)c2c(c1)OCO2 14200585 TUTJXKQCUQYWNK-UHFFFAOYSA-N 321.735 3.480 0 40 DGAB COc1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1OC 5529510 DOFNLCXGUFDUKO-AJKRIUKHSA-N 303.402 3.222 0 40 DGAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)Cc1ccccc1 69462824 OKRJXXOWGZVALL-UHFFFAOYSA-N 306.369 3.215 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C(N)=O)c2C)s1 69455451 OGILUGFTWKJCHN-CHWSQXEVSA-N 314.410 3.206 0 40 DGAB CCCn1c(SCC(=O)OCC)nnc1-c1ccccc1 409106124 MKKXVIZILCNSHC-UHFFFAOYSA-N 305.403 3.010 0 40 DGAB Cc1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 64799470 TUDPCTJTFKEABG-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB COc1ccc(-c2nc(C(=O)N[C@H](C)C3CC3)cs2)cc1 8727333 ZJBMBRJTHIYRBT-SNVBAGLBSA-N 302.399 3.347 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)cn1 6832006 NPQKLSZVUNYYSD-XBXARRHUSA-N 320.295 3.344 0 40 DGAB CCc1ccc(CNC(=O)COC(=O)c2sccc2C)cc1 67197928 RWSZWGVIVKNVHI-UHFFFAOYSA-N 317.410 3.092 0 40 DGAB Fc1ccc(N2CCN(c3ncnc4ccsc34)CC2)cc1 8746856 DZLWIXJEROHUHO-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB CC/C=C(\C)C(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 96256176 BDCHXPRHTRESDH-YIXHJXPBSA-N 322.399 3.402 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)cn1 71797004 HFJYJRVPSGQRGJ-OAHLLOKOSA-N 321.783 3.119 0 40 DGAB CN1C(=O)/C(=C/c2coc3ccccc3c2=O)c2ccccc21 96893641 GZEFKQDRPJLMCJ-XNTDXEJSSA-N 303.317 3.310 0 40 DGAB Cc1nn(C)c(C)c1OCc1noc(-c2ccc(Cl)cc2)n1 84012310 GQTIVSFLYTWAOF-UHFFFAOYSA-N 318.764 3.319 0 40 DGAB COc1cccc(-c2nsc(C(=O)NC3CCCC3)c2N)c1 67334825 KUYFQMPSTRYOOA-UHFFFAOYSA-N 317.414 3.073 0 40 DGAB COc1ccc(NC(=O)Cn2ccnc2)cc1Cc1ccccc1 76060776 WWYPXAZZOGLBHY-UHFFFAOYSA-N 321.380 3.121 0 40 DGAB CCc1nc([C@H]2CCCN(c3nc4cc(C)ccc4o3)C2)no1 72285215 UWWJQCBXZUDARN-LBPRGKRZSA-N 312.373 3.466 0 40 DGAB Cc1nnc([C@@H](C)N[C@H](C)c2ccc(-n3ccnc3C)cc2)o1 97081925 RBYQKXBFUZPKOS-VXGBXAGGSA-N 311.389 3.284 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NC[C@H](O)c3ccco3)s2)o1 97238029 FNCYGOGVNFHDAE-NSHDSACASA-N 317.366 3.373 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2c2ccc[nH]2)[nH]c2c1C(=O)CCC2 78637128 GYEUOPWWICWCPJ-AWEZNQCLSA-N 311.385 3.148 0 40 DGAB O=C(NCCc1c[nH]cn1)c1cc2cccc(Cl)c2s1 72406021 GQJDQNAGQJLCGN-UHFFFAOYSA-N 305.790 3.250 0 40 DGAB CSc1nc(C(=O)N(C2CC2)[C@H](C)C2CC2)c2ccccn12 84636302 OHQJLVAQXOTPAZ-LLVKDONJSA-N 315.442 3.459 0 40 DGAB CC[C@H](c1ccccc1)[S@@](=O)[C@@H](C)C(=O)N1CCCCC1 95411023 DTIDHCGTHAZFGR-CMPZQBNXSA-N 307.459 3.287 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c(C)c1 89612050 FYCYRJWRIVBYRO-LAYSSIRVSA-N 313.441 3.470 0 40 DGAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C)c1 20481790 ZDLBZCTUVXELHF-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB COc1cccc2cc(C(=O)Nc3ccc4c(c3)OCO4)oc12 8960625 JAAKXOLYNRMVNA-UHFFFAOYSA-N 311.293 3.422 0 40 DGAB biogenic Cc1cc(Nc2ncccn2)nc([C@@H]2CCCN2C2CCCC2)n1 72359941 YNDYCJGMTWKKDW-HNNXBMFYSA-N 324.432 3.398 0 40 DGAB CO[C@@H]1CC[C@@H](NC(=O)Nc2cc(F)ccc2OC(F)F)C1 189728616 QCCRHMYPPYUQLI-NXEZZACHSA-N 318.295 3.116 0 40 DGAB CC1(C)C[C@H](NC(=O)COc2ccccc2)c2ccccc2O1 121449163 PICDKBVVJWPURG-INIZCTEOSA-N 311.381 3.484 0 40 DGAB CC(C)c1ocnc1C(=O)NCCc1nc2ccccc2s1 74718437 SPDFJJYIHCEOMS-UHFFFAOYSA-N 315.398 3.380 0 40 DGAB Cn1cccc1CN(C(=O)CSc1ccc(F)cc1)C1CC1 62018283 MPVOMNFDBKTVME-UHFFFAOYSA-N 318.417 3.448 0 40 DGAB Cc1ccc(C)c(CC(=O)NCc2ccc(-n3ccnc3)cc2)c1 78462419 GJIJCBKCWVBPLZ-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB Cc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)cc1C 43210848 LKMNIDRPZDCAPB-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB COc1cccc(OCCNC(=O)/C=C/c2ccc(F)cc2)c1 223378721 BNTBPBLUMAPXFX-JXMROGBWSA-N 315.344 3.043 0 40 DGAB C[C@H](COc1ccccc1)NC(=O)Cc1cccc(Cl)c1 223009763 HXYMQWFQTGNDET-CYBMUJFWSA-N 303.789 3.466 0 40 DGAB CC[C@@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225186955 YZBKZBGSIVBMKP-LLVKDONJSA-N 302.403 3.354 0 40 DGAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NCC 224309092 NYYCYUZQQHBUNA-OAHLLOKOSA-N 324.852 3.383 0 40 DGAB Cc1cccc(NC(=O)Nc2cc(N3CCCCC3)ncn2)c1 75166286 IQTJVXZKNRTSEF-UHFFFAOYSA-N 311.389 3.419 0 40 DGAB CCS(=O)(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 195568251 JXWNKMRFBSWBFT-UHFFFAOYSA-N 311.325 3.254 0 40 DGAB CCOC[C@]12CCCO[C@H]1CCN(C(=O)CC1=CCCCC1)C2 96039465 LPCFHSDMGIIJBF-PKOBYXMFSA-N 321.461 3.311 0 40 DGAB CCc1ccc(CN2CC[C@@H](OC)[C@@H]2Cc2cccnc2)o1 96200136 ZOLIVUHKRLNKMW-ZWKOTPCHSA-N 300.402 3.069 0 40 DGAB O=C(C1=CCCCO1)N1CCn2cccc2[C@H]1c1ccccc1 96427157 CDMXVGHYSNUPIL-GOSISDBHSA-N 308.381 3.114 0 40 DGAB Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@]2(COC(C)C)C1 96040503 YIFJLDWXQHYNLK-ZWKOTPCHSA-N 322.449 3.088 0 40 DGAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2csnn2)o1 96433236 UDVJJENWDCGASR-GWCFXTLKSA-N 305.403 3.307 0 40 DGAB Cc1ccc(C[C@@H](C)NC(=O)CSCc2ccncc2)s1 96414567 KBLXENBTOKDDRB-GFCCVEGCSA-N 320.483 3.432 0 40 DGAB COc1ccccc1NC(=O)[C@]1(C)CC(c2ccccc2)=NO1 96192555 UDFLMFQKBNKLTD-SFHVURJKSA-N 310.353 3.217 0 40 DGAB COc1cccc(OC(=O)c2cccc(-c3nnc(C)o3)c2)c1 96473892 ZSZDRGXJQTXTHT-UHFFFAOYSA-N 310.309 3.273 0 40 DGAB Cc1ncsc1-c1ccc(C(=O)N2CCC(C)CC2)cn1 585182361 ISZSNNBEXYHWKW-UHFFFAOYSA-N 301.415 3.386 0 40 DGAB c1ccc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)cc1 585103490 XJUONBFSHDDQRY-GOSISDBHSA-N 301.430 3.094 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccccc1Cl 54534709 IMYAWMIKFYHJEF-UHFFFAOYSA-N 316.666 3.299 0 40 DGAB CCC(CC)(CNC(=O)N[C@H](C)Cc1ccsc1)N(C)C 52528932 KLHVUNMJOFWVRE-CYBMUJFWSA-N 311.495 3.099 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C 65465535 WOPVLMDOODVFFF-CABCVRRESA-N 317.433 3.322 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cccn3)C2)c1 65608479 YDOMOZVMEDXPAK-BZSNNMDCSA-N 309.413 3.159 0 40 DGAB CCCCC(=O)Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](C)N2 5266240 WLLNNCBSDOITQQ-GXTWGEPZSA-N 313.405 3.200 0 40 DGAB Cc1ccc(OCC(=O)NCCc2ccc(F)cc2)cc1C 5466018 STQRVBADNSJUMK-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB COc1ccc(OCCCC(=O)N2CCc3ccccc32)cc1 14401361 PJBWKBLJSIHBLL-UHFFFAOYSA-N 311.381 3.444 0 40 DGAB CC(C)(C)ONC(=O)C1(C)CCN(Cc2ccccc2)CC1 165414993 QEVGRGKUPSSHIX-UHFFFAOYSA-N 304.434 3.135 0 40 DGAB CCN1C(=O)S/C(=C/c2cccn2-c2ccc(O)cc2)C1=O 4514412 KKOUJBHEJDQKJV-GXDHUFHOSA-N 314.366 3.239 0 40 DGAB O=C(C1CCOCC1)N1CCCC[C@@H](c2ccc(F)cc2)C1 206874398 TVKCWHOPVXSDCU-MRXNPFEDSA-N 305.393 3.348 0 40 DGAB Cc1nccc(N2CCN(c3cccc(Cl)c3Cl)CC2)n1 1888876494 HBLUGHNMMSPXSN-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB Cc1cc(CN2CCC(COc3ccncc3Cl)CC2)on1 1848866578 UEKXZJYDRSBFCY-UHFFFAOYSA-N 321.808 3.322 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2ccn[nH]2)c1 24886757 ZRLBJKHJTSBHHX-UHFFFAOYSA-N 318.336 3.399 0 40 DGAB CCN(CC(=O)N[C@H](C)c1ccc2c(c1)CCCC2)C1CC1 29913167 IAPOOYZVFFZAFV-CQSZACIVSA-N 300.446 3.227 0 40 DGAB O=S(=O)(c1ccc(F)cc1)c1cnc2c(F)cccc2c1O 15829080 MKKVSMKEKLDIJH-UHFFFAOYSA-N 321.304 3.051 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 17315859 QVUMRHNNRJMYOV-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB O=C1Cc2cc(NC(=O)Nc3cccc(Cl)c3)ccc2N1 22506476 LXZQPOVAFISENH-UHFFFAOYSA-N 301.733 3.479 0 40 DGAB O=C1OC2(CCN(C(=O)c3ccsc3)CC2)c2ccccc21 211107867 ZHIPJEGCKCVPBJ-UHFFFAOYSA-N 313.378 3.050 0 40 DGAB CC1=C(C(=O)O[C@H](C)C(C)(C)C)[C@H](c2ccccc2)NC(=O)N1 36764 WMVIAMRXUDYHAP-DOMZBBRYSA-N 316.401 3.292 0 40 DGAB CCOc1ccc(-c2nnc3cccc(Cl)n23)cc1OC 92872 QXNWGOLMPODGLQ-UHFFFAOYSA-N 303.749 3.457 0 40 DGAB COC(=O)c1ccc([C@@H]2NC(=O)c3c(sc(C)c3C)N2)cc1 174029 KCLNLMWODZAWJN-CYBMUJFWSA-N 316.382 3.006 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 205206 OGRCGUSIPZQJLP-UHFFFAOYSA-N 300.343 3.344 0 40 DGAB COc1ccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)cc1 101084746 RJFUZJVGKOALAH-MAUKXSAKSA-N 310.353 3.465 0 40 DGAB CC(C)Oc1ccc(C(=O)Oc2ccc3c(c2)OCO3)cc1 3552282 HCNRVPJRJJPTLD-UHFFFAOYSA-N 300.310 3.422 0 40 DGAB O=C(NCCCOc1ccccc1)NCCc1ccccc1F 29324728 AMBAMPKFYHJQRF-UHFFFAOYSA-N 316.376 3.137 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(-n2cncn2)cc1 7778154 JIVUOIDAQCUPKM-GOSISDBHSA-N 318.380 3.075 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N(C)CC[C@@H]1CCC[C@@H](C)C1 108355558 GRPOQHVFFFHRNV-RISCZKNCSA-N 314.451 3.128 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 100848482 XSCPMNSNLVUERI-ROUUACIJSA-N 309.450 3.249 0 40 DGAB CC(C)(C)c1ccc(OCCCC(=O)N2CCC[C@H](O)C2)cc1 32720069 DEVVQAKYFYBLHH-INIZCTEOSA-N 319.445 3.126 0 40 DGAB CC(C)(C)C(=O)CSc1nc2ccccc2c(=O)n1C1CC1 7859652 WHSBJLNFLASADA-UHFFFAOYSA-N 316.426 3.439 0 40 DGAB CC[C@H](C)NC(=O)Cc1csc(COc2ccccc2)n1 33326128 MQZGBMOJZQFTIQ-LBPRGKRZSA-N 304.415 3.179 0 40 DGAB Cc1ccc(C(=O)n2cccc(C)/c2=N\C2CCCCC2)cn1 102826905 VMBYPJZSTQZFQM-DYTRJAOYSA-N 309.413 3.422 0 40 DGAB CCCCOC(=O)CSc1nncn1-c1ccccc1C 7986996 DHYBAXLRWHBQHO-UHFFFAOYSA-N 305.403 3.011 0 40 DGAB Cc1nc(CN[C@@H](c2ccc(F)cc2)c2nccn2C)cs1 42203807 GZLZMKALLQQFOI-HNNXBMFYSA-N 316.405 3.203 0 40 DGAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCC(C)CC1 811017 QGUPPXCCPGBPQK-UHFFFAOYSA-N 317.838 3.078 0 40 DGAB CC(=O)c1ccc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cc1 54272772 PJQQFVRRVFOHDF-KRWDZBQOSA-N 308.337 3.345 0 40 DGAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2[nH]cnc2c1 23387067 RYZWYNLLSLDPCF-WDEREUQCSA-N 311.307 3.414 0 40 DGAB Cc1cnc(NC(=O)CSc2ccc(F)cc2F)s1 12567788 OVJDVCLDKYVYDG-UHFFFAOYSA-N 300.355 3.461 0 40 DGAB Cc1sc2nc(-c3cnn(C)c3)[nH]c(=O)c2c1-c1ccccc1 54709744 MSBSIADLSBWPSP-UHFFFAOYSA-N 322.393 3.361 0 40 DGAB O=C(COc1ccc(Cl)cc1)OCC(=O)c1ccccc1F 3240590 CPDOBOCKFSXJJK-UHFFFAOYSA-N 322.719 3.284 0 40 DGAB Cc1cc(C)cc(C(=O)c2cccc(CN3CCOCC3)c2)c1 43211011 KFPFYDBZYKRRON-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CN(Cc1ccccc1)C(=O)COC(=O)c1cccc(Cl)c1 3264349 YMVBNYNOEAIXGV-UHFFFAOYSA-N 317.772 3.155 0 40 DGAB COc1ccc(C[C@@](C)(N)CNc2cnc3ccccc3n2)cc1 89904146 JICULLCUNPMVJG-LJQANCHMSA-N 322.412 3.010 0 40 DGAB C[C@@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 25772723 UTOAHUQJOXUJQR-SNVBAGLBSA-N 320.339 3.467 0 40 DGAB COCCOc1ccccc1C(=O)Nc1cc(C(C)C)on1 76060626 HTXYPNCPWNYGGT-UHFFFAOYSA-N 304.346 3.076 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)COC(=O)c1cccn1C 3295431 BIADOSOWKWNQKD-CYBMUJFWSA-N 314.385 3.334 0 40 DGAB CC1CCC(N(C)C(=O)Nc2ccccc2C(=O)N(C)C)CC1 44237899 FVSYEJBHLFIKGW-UHFFFAOYSA-N 317.433 3.431 0 40 DGAB CCCn1ncc(I)c1CO[C@H](C)CC 408716338 LSXMMEWBKAAVIN-SECBINFHSA-N 322.190 3.213 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)/C=C/c1ccccc1 3390866 QMFUMBYSDUIOGD-VAWYXSNFSA-N 309.365 3.499 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccn(COc2ccc(F)cc2)n1 27972342 MTMXCQOWDCSOMC-CYBMUJFWSA-N 317.364 3.073 0 40 DGAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3)n2)c(C)c(C)c1C 12783800 UVCDNCGCEKCRKD-UHFFFAOYSA-N 320.396 3.457 0 40 DGAB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(C)no2)o1 58427966 WPXNEMVCQCOIQS-INIZCTEOSA-N 324.384 3.228 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2N1 10641900 RVBLCUHURHGUHX-ZDUSSCGKSA-N 300.745 3.405 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1cccc(Cl)c1)c1ccco1 12875479 XQGCLHUGKKUICO-CYBMUJFWSA-N 307.781 3.357 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)NCCC2=CCCCC2)c1 3401058 XERUBHSJDDNRMO-UHFFFAOYSA-N 315.413 3.467 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12903134 ASKCCWZMERBGAN-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12976622 MARLSHBXVMTHLD-GFCCVEGCSA-N 315.344 3.017 0 40 DGAB CN(Cc1nc2ccccc2c(=O)[nH]1)Cc1ccccc1Cl 13058043 GXNFRKDRDXKYSY-UHFFFAOYSA-N 313.788 3.209 0 40 DGAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccco1 13108232 JDZNTGMSMHYYCY-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB COCc1c(C(=O)N2C[C@@H](C)OC[C@@H]2C)sc2ccccc12 69414891 CEAPBPNVJHQAKT-NWDGAFQWSA-N 319.426 3.297 0 40 DGAB COC(=O)COc1ccc2c(C)c(-c3ccccc3)c(=O)oc2c1 4340137 ADDQEDMVPZKJPG-UHFFFAOYSA-N 324.332 3.320 0 40 DGAB biogenic O=c1[nH]c2ccccc2nc1CN1CC=C(c2ccccc2)CC1 65458167 UMKVIMAETAZNTC-UHFFFAOYSA-N 317.392 3.212 0 40 DGAB CCN(CC)C(=O)[C@@H](C)Oc1cccc(Br)c1 20421595 IIRBCNRBYKYVSU-SNVBAGLBSA-N 300.196 3.085 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)c1 14575600 DBGOAKMFNSTZKM-SNVBAGLBSA-N 318.323 3.414 0 40 DGAB Cc1cccc(N2CCN(c3cc(=O)oc4ccccc34)CC2)c1 5740542 YAGZLWHRDRNINZ-UHFFFAOYSA-N 320.392 3.428 0 40 DGAB CN(C)CCNc1ncnc2cc(-c3ccc(F)cc3)sc12 5937060 YIXLWYIQKTVQGX-UHFFFAOYSA-N 316.405 3.471 0 40 DGAB C[C@@H](Nc1nnc(-c2ccccc2Cl)s1)c1nncn1C 96011524 YJIHJDHTFIXPKO-MRVPVSSYSA-N 320.809 3.160 0 40 DGAB C[C@@H](NC(=O)CSc1ccccn1)c1ccc(F)cc1F 9368257 MEQVVQSQXZGFLZ-SNVBAGLBSA-N 308.353 3.329 0 40 DGAB C[C@@H]1CCc2ccccc2N1Cc1cc(=O)n2ccccc2n1 9322807 DKWVBAKOPWPAIO-CQSZACIVSA-N 305.381 3.036 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(O)c(Cl)c1 9721531 AWBPAVBAIPQFEJ-UHFFFAOYSA-N 314.772 3.499 0 40 DGAB C/C(=C\C(=O)N[C@@H](C)c1cnn(C)c1C)c1ccc(F)cc1 96313740 RGJDRDIMWVGIRT-ZKQHCESOSA-N 301.365 3.148 0 40 DGAB COC[C@H](C)NCc1ccc(Br)c2cccnc12 96495888 NKDQKZUDQUYQCA-JTQLQIEISA-N 309.207 3.122 0 40 DGAB CCc1nc(C)c([C@@H](C)N(C)S(=O)(=O)CCC(C)C)s1 78903986 NSVAXPKTXKADKJ-GFCCVEGCSA-N 318.508 3.383 0 40 DGAB Cc1noc(C)c1CC(=O)N(Cc1ccccc1)c1ccncc1 97049474 CYCCPBSCQWNEEJ-UHFFFAOYSA-N 321.380 3.462 0 40 DGAB C[C@@H](C(=O)Nc1cc(C(=O)O)ccc1F)c1ccccc1F 97036143 YJISXCMXOYNMIQ-SECBINFHSA-N 305.280 3.405 0 40 DGAB CC(=O)NC1CCN(c2c(C)c(C)nc3ccc(F)cc23)CC1 97144713 RYMBNWYKZBQOPL-UHFFFAOYSA-N 315.392 3.096 0 40 DGAB CC(C)n1ncc2c1[C@@H](NC(=O)N(C)Cc1ccco1)CCC2 97143548 SBGGJYMMYJSKTG-HNNXBMFYSA-N 316.405 3.276 0 40 DGAB CCC1(CNC(=O)Nc2ccn(Cc3ccncc3)n2)CCC1 84323899 MMTHILSRBKJKHE-UHFFFAOYSA-N 313.405 3.028 0 40 DGAB C[C@H](CCO)CNC(=O)Cc1cc2c(ccc3ccccc32)o1 95435534 BJWBMNRMGAJEAK-CYBMUJFWSA-N 311.381 3.263 0 40 DGAB CCOc1ncccc1C(=O)N1CCCOc2ccc(C)cc21 95458309 APGINTGZCBFXCS-UHFFFAOYSA-N 312.369 3.218 0 40 DGAB C[C@@H](NCc1ccc(F)c(Br)c1)[C@@H]1CCOC1 95961930 PMYVMJIWPJCPOW-MWLCHTKSSA-N 302.187 3.103 0 40 DGAB C[C@@H](NCc1ccccc1F)c1ccc2c(c1)NC(=O)CO2 74333761 OVHWNUMBMLAIBE-LLVKDONJSA-N 300.333 3.007 0 40 DGAB CN(C)Cc1ccc(C(=O)N[C@H]2C[C@H]2c2ccc(F)cc2)cc1 89319405 RQTHZGCIUWMYQZ-ROUUACIJSA-N 312.388 3.173 0 40 DGAB Cc1ccc(C(=O)NC2(c3ccc4c(c3)OCO4)CC2)cc1C 89643184 BMAITTDHUODFEQ-UHFFFAOYSA-N 309.365 3.451 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1csc(C)n1 28251543 MAEVRSBQOCLXDB-OAHLLOKOSA-N 322.405 3.107 0 40 DGAB OCC1(CN[C@@H]2CCCC[C@H]2c2ccccc2)CCOCC1 521396920 GKZZKQUMBXYFKK-ZWKOTPCHSA-N 303.446 3.092 0 40 DGAB COc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 36635497 AVIVYGPXATYGAQ-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB CC(C)c1cc(C(=O)NCc2ccncc2)n(-c2ccccc2)n1 72404085 MWPYCEAENDWDNT-UHFFFAOYSA-N 320.396 3.321 0 40 DGAB CCOC(=O)c1cc(N)cc2nc(-c3ccccc3F)oc12 73641840 JHWYBAUUEBXADU-UHFFFAOYSA-N 300.289 3.393 0 40 DGAB Cc1cc(-c2nnc(CN3CC[C@H](c4cccnc4)C3)o2)c(C)o1 564920199 UGNMNISXSPWERV-HNNXBMFYSA-N 324.384 3.331 0 40 DGAB Cn1nc(-c2ccccc2)cc1C(=O)NCCc1ccsc1 49511794 VZRHVWLEFNINFY-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)c1 225749109 FZJAFSWAMWDCGS-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB CNCCCNc1cc(C)nc2ccc(Br)cc12 222687791 SSLHIKKGCZWGKM-UHFFFAOYSA-N 308.223 3.327 0 40 DGAB Cc1cc(C)c2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1 20358242 MIIGOKRLWZHBRI-KBPBESRZSA-N 301.386 3.019 0 40 DGAB biogenic CCOc1ccc(NC(=O)C(C)(C)OCC)c2cccnc12 225892585 CEWXQDNZSKTXGX-UHFFFAOYSA-N 302.374 3.387 0 40 DGAB COc1ncccc1CNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1 45076283 WFUFFRFMAFABCL-WFASDCNBSA-N 314.385 3.056 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CC 223605836 INCSDCPYHPXONG-MRXNPFEDSA-N 304.434 3.120 0 40 DGAB COc1ccc(-n2nc(C)c(CCC(=O)O)c2C)cc1Cl 41542676 KGYHEQVDXKOEES-UHFFFAOYSA-N 308.765 3.168 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC(C)(C)C 223312613 LZFIFFOJOKMQLS-MRXNPFEDSA-N 318.461 3.427 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)Nc2cccc3c2CCNC3)c1 576627449 QJHNFNPGHPGRMV-CQSZACIVSA-N 310.397 3.047 0 40 DGAB COC[C@@H]1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1 96197915 ODOXGGJTSFGEKH-HNNXBMFYSA-N 317.458 3.100 0 40 DGAB Cc1ccc(C(=O)N2CC[C@H](C)[C@H](C(=O)O)C2)c2ccccc12 1594345079 XSFPWABDRINEIR-SUMWQHHRSA-N 311.381 3.331 0 40 DGAB CCc1cc(C(=O)O[C@@H](C)c2ccc(OC)c(F)c2)cc(=O)[nH]1 97374885 OEHCNJWJCCWMFO-JTQLQIEISA-N 319.332 3.003 0 40 DGAB CCN(CCC(F)(F)F)C(=O)C[C@@H]1CSCCS1 96483613 SFNRKYUPQNWBSF-SECBINFHSA-N 301.399 3.026 0 40 DGAB Cn1ccnc1CSc1nnc(CCCc2ccccc2)o1 96430325 RHVXSJVWOCJYRO-UHFFFAOYSA-N 314.414 3.271 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@H]1CC[C@H](O)C1)c1cccs1 230484644 GWTTWCCWJFQFIX-IHRRRGAJSA-N 310.463 3.296 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)NCCc1cscn1 96481559 SHQCETUXEJLCIW-UHFFFAOYSA-N 324.837 3.227 0 40 DGAB CCCOc1ccc(CNC(=O)NC2CC=CC2)cc1OC 96469819 HBBYJWUUKSZWPY-UHFFFAOYSA-N 304.390 3.002 0 40 DGAB Cc1n[nH]cc1Nc1cc(C(F)(F)F)nc(-c2ccncc2)n1 96429288 WMYPEBWBCSUYBR-UHFFFAOYSA-N 320.278 3.333 0 40 DGAB Cc1ccc(OCCc2nnc(NC(=O)C(C)C)s2)cc1C 95116428 ZBNDJNLOIPJUHB-UHFFFAOYSA-N 319.430 3.371 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cccc3cccnc23)n1 257315602 VCCIWJIUUJUDOD-OAHLLOKOSA-N 306.369 3.244 0 40 DGAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccc(C)cc2)nc1 257304972 SNXQTOYHUZYJGL-FQEVSTJZSA-N 323.440 3.363 0 40 DGAB O=S(=O)(NC1(c2cccs2)CCCC1)c1ccccc1 390828230 PPCWUYTTXXZMCS-UHFFFAOYSA-N 307.440 3.496 0 40 DGAB Cc1ncccc1CN[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131453964 ZQOZMAPFUMOBQR-HOTGVXAUSA-N 319.449 3.316 0 40 DGAB COCc1nc(C(=O)N2CCc3sccc3[C@@H]2C)cs1 49156440 OLIUPIILVOTHNG-VIFPVBQESA-N 308.428 3.111 0 40 DGAB COC(=O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98210744 NDTGAQGWQCGPRI-SECBINFHSA-N 318.169 3.277 0 40 DGAB C[C@H](OC(=O)c1cn2ccccc2n1)c1nc2ccccc2n1C 79022938 RONIUELVTXPBHA-LBPRGKRZSA-N 320.352 3.139 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 107063842 XOSDUTDKPYYULC-VHDGCEQUSA-N 307.463 3.458 0 40 DGAB O=C(NCc1cc(C2CC2)ncn1)c1cccc(C(F)(F)F)c1 585360032 BUKZFJXLQZGFSN-UHFFFAOYSA-N 321.302 3.303 0 40 DGAB CCN(Cc1cc(=O)n2oc(C)cc2n1)c1ccc(Cl)cc1 15731939 XSFGZVMQWDSRMX-UHFFFAOYSA-N 317.776 3.276 0 40 DGAB COc1cc([C@H](Nc2ccccc2)SCC(=O)O)ccc1O 16758481 BCNHTUMRCYEYDI-MRXNPFEDSA-N 319.382 3.329 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(F)ccc1OC 19943385 KZGYCPBJRNITTL-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB CCc1cccc(CC)c1NC(=O)N(C)[C@@H](C)C[S@](C)=O 153537435 IANCKRREXOMWSB-LAJNKCICSA-N 310.463 3.042 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccco3)oc2c1 6304969 BBYFUIBDIVCFFD-FNORWQNLSA-N 311.297 3.031 0 40 DGAB O=C(CSc1nnc(-c2cccs2)o1)NC1CCCCC1 421722 BJFNZSIIBJYPEG-UHFFFAOYSA-N 323.443 3.339 0 40 DGAB Cc1c(C(=O)N(Cc2cccnc2)C2CC2)[nH]c2c1C(=O)CCC2 28515715 HADXMKQVAFBBOW-UHFFFAOYSA-N 323.396 3.042 0 40 DGAB CN(c1ccccn1)C1CCN(Cc2cc(F)ccc2F)CC1 1889130419 FJOVVFIKAWDPQI-UHFFFAOYSA-N 317.383 3.461 0 40 DGAB CCc1nc(Cn2cnc3ccc(Cl)cc3c2=O)cs1 31740919 XBTNENITOJXQAE-UHFFFAOYSA-N 305.790 3.117 0 40 DGAB COc1ccc(NC(=O)NCCc2cccs2)c(OC)c1 33923038 RQCIYYUEZQAGLV-UHFFFAOYSA-N 306.387 3.130 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3ncnc(C)c3C)C2)n1 1775995929 NPNTXBSEVNQSDW-MRXNPFEDSA-N 312.417 3.092 0 40 DGAB CCSc1ccccc1C(=O)N1CC(Oc2cccnc2)C1 238954687 XRWAUXSRXMBWTR-UHFFFAOYSA-N 314.410 3.097 0 40 DGAB Cc1csc(NC(=O)CN2CCC[C@@H]2c2cccs2)n1 32836176 ARJDNDLFFYDDFH-LLVKDONJSA-N 307.444 3.289 0 40 DGAB CC(=O)Nc1ncc(CN2CCC(c3ccccc3)CC2)s1 269683 ZTUPUNKLDDKVAZ-UHFFFAOYSA-N 315.442 3.481 0 40 DGAB CN(C)c1ccc(CCNC(=O)Cc2ccc(Cl)cc2)cc1 11693598 YACYHQZNWDFLQH-UHFFFAOYSA-N 316.832 3.307 0 40 DGAB Clc1ccc(N2CCC[C@@H](COc3nccs3)C2)nc1 2298188649 JDJICUPFCNDEDP-LLVKDONJSA-N 309.822 3.487 0 40 DGAB C[C@H](NC(=O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 40013747 KJYDCARAYHTDMK-HNNXBMFYSA-N 305.381 3.428 0 40 DGAB COc1cc(N[C@H](C)c2nc(C(C)C)no2)cc(OC)c1OC 40496477 CYCPXJJDSKOZKB-SNVBAGLBSA-N 321.377 3.392 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@]1(O)c1ccc(Br)cc1 55474 LGFVNGURPFMREG-ZUZCIYMTSA-N 321.170 3.454 0 40 DGAB COC(=O)[C@H](CCSC)NC(=O)Nc1ccc(C(C)C)cc1 2415502 DAOHCTQKBSQELX-AWEZNQCLSA-N 324.446 3.226 0 40 DGAB COc1ccccc1NC(=O)CSc1nc2ccccc2[nH]1 2591227 UCCAGDLBQHYKMU-UHFFFAOYSA-N 313.382 3.302 0 40 DGAB Fc1ccc(Cn2c(N3CCCNCC3)nc3ccccc32)cc1 2599351 JLSAYFORXPWAMK-UHFFFAOYSA-N 324.403 3.023 0 40 DGAB O=C(COc1ccccc1)Nc1cc(Cl)ccc1C(=O)O 6597841 GLZGWOIWRBJXCZ-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB CCN1C(=O)N/C(=C/c2cccc(Oc3ccccc3)c2)C1=O 6951824 NTZDYQAIBVEOBV-FOWTUZBSSA-N 308.337 3.392 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)c(C)c1 101275327 TULFYMYYBKBWAK-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)n1 32769384 VVWOBJMKHCWSBV-LLVKDONJSA-N 306.312 3.482 0 40 DGAB COc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)c(OC)c1 60353518 MJHGIXAZRJLKRD-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccc(F)cc2)Cc2ccc(Cl)cc21 8020597 RREAESQCOYAFMF-AWEZNQCLSA-N 319.719 3.199 0 40 DGAB CN(Cc1ccc2ccccc2c1)C(=O)CCn1ccccc1=O 32831035 UHGOWPHKMSYJRJ-UHFFFAOYSA-N 320.392 3.050 0 40 DGAB COC(=O)c1ccc(NC(=S)N[C@@H]2CCCC[C@@H]2C)cc1 8685877 RUDVHNAWAFHILW-SMDDNHRTSA-N 306.431 3.338 0 40 DGAB CCN(Cc1nc(-c2cccnc2)no1)Cc1ccccc1C 32928742 OTSLNQNJHHUKBX-UHFFFAOYSA-N 308.385 3.462 0 40 DGAB COC[C@H](NC(=O)C1CCC1)c1cccc(C(F)(F)F)c1 71911035 ZMDMQWUSIYMGRS-ZDUSSCGKSA-N 301.308 3.309 0 40 DGAB CC(C)C(NS(=O)(=O)Cc1ccc(Cl)cc1)C(C)C 9694926 RQOMSWVMIJRAMZ-UHFFFAOYSA-N 303.855 3.440 0 40 DGAB CCCCN(C(=O)c1cscn1)c1ccccc1C(=O)OC 71911325 KFPKLDBSXSNJBD-UHFFFAOYSA-N 318.398 3.377 0 40 DGAB CC(C)Oc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 29294915 JGQSGCZWRTWFOD-UHFFFAOYSA-N 317.360 3.422 0 40 DGAB COc1cc([C@H]2OC[C@@]3(CO)[C@@H](C)[C@H]2C(C)=C[C@H]3C)ccc1O 100537465 JVGXICUTXHMMNN-STEZGIMKSA-N 318.413 3.299 0 40 DGAB C[C@@]12CCC[C@H]1[C@@H]1[C@@H](O)C[C@H]3CC(=O)CC[C@]3(C)[C@H]1C(=O)C2 118930008 OWSDKGMPDGHRFF-NMCJAVFESA-N 304.430 3.138 0 40 DGAB Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)n(C)n1 43434953 DRGKBHKBERWWJV-KRWDZBQOSA-N 321.384 3.035 0 40 DGAB CC(C)COCCCNC(=O)Nc1ccccc1N1CCCC1 43485644 NVFGUHINFKCPKA-UHFFFAOYSA-N 319.449 3.471 0 40 DGAB CN(C)[C@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 108527803 YFRSPACCFOOXMB-INIZCTEOSA-N 322.880 3.415 0 40 DGAB CN(Cc1cccc(Cl)c1Cl)C(=O)c1cnsn1 47411850 ZFUHBCQYTNRCFB-UHFFFAOYSA-N 302.186 3.117 0 40 DGAB Cc1ccc2nc(SCc3ccc(Cl)cc3)nc(=O)n2c1 3134607 XSOIYRHISWDMMJ-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB Cc1occc1C(=O)N1[C@H]2CC[C@H]1[C@H](N(C)Cc1ccccc1)C2 104958597 COBRGTYBRGOXIW-YTQUADARSA-N 324.424 3.466 0 40 DGAB CCOCc1ccccc1CNc1ccc(C(=O)OC)c(C)n1 89988693 QYQHQVBHBLADCK-UHFFFAOYSA-N 314.385 3.325 0 40 DGAB CCCn1nc(C)cc1-c1nn2c(-c3ccccc3)nnc2s1 44891050 CZAACGXURAVWGX-UHFFFAOYSA-N 324.413 3.435 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@H]1CCCN(Cc2ccccc2)C1 58229159 YLBVRAHUSSSVHW-PKOBYXMFSA-N 312.457 3.371 0 40 DGAB C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nnc2n1CCC2 44934439 KKMRWHPEQDOBDZ-GFCCVEGCSA-N 312.417 3.013 0 40 DGAB O=C1N[C@H](c2ccc(OC(F)(F)F)cc2)Oc2ccccc21 2334073 GFTREKDAGOGPTO-AWEZNQCLSA-N 309.243 3.406 0 40 DGAB C[C@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccccc1 3396884 BUOKTVHOSAFXGZ-JTQLQIEISA-N 305.280 3.149 0 40 DGAB C[C@H](c1ccc(Cl)cc1Cl)N(C)c1ccc2nnnn2n1 12883998 NWTKWAOXFQTVRT-MRVPVSSYSA-N 323.187 3.024 0 40 DGAB COc1ccccc1C/C(C)=C/C(=O)N(C)CCc1ccccn1 69660585 WNZJUINOSIAYCB-FOCLMDBBSA-N 324.424 3.280 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@H](C)O1 22089204 UWVRKKXBBZGDRZ-KBPBESRZSA-N 304.434 3.032 0 40 DGAB CSc1ccc(CN(C)CC(=O)NCc2cccs2)cc1 13006121 JAIGXDPENWUEIL-UHFFFAOYSA-N 320.483 3.218 0 40 DGAB Cc1cc(C)c(C)c(OCC(=O)Nc2ccc3c(c2)OCO3)c1 22905266 AHUOXKRLQXVDDA-UHFFFAOYSA-N 313.353 3.358 0 40 DGAB O=C1[C@H]2[C@H]3CC[C@H](C3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4019237 RKWDVHZCIMPDHQ-KGOITJQVSA-N 309.287 3.241 0 40 DGAB Cc1cc(CN2CCN([C@H](C)c3ccc(F)cc3)CC2)no1 69419467 XIOJPNPLCGMGRU-CQSZACIVSA-N 303.381 3.001 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c(C)cc2=O)cc1 14094221 RWBGAFJXZHWODL-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB COc1ccc([C@@H](NC(=O)[C@@H]2CCCO2)c2ccccc2)cc1 14184300 DOSVRVXQIJUYGB-ROUUACIJSA-N 311.381 3.080 0 40 DGAB CN1CCc2c(sc(N)c2C(=O)Nc2ccc(Cl)cc2)C1 4554729 BUKJEPVHKDEQSD-UHFFFAOYSA-N 321.833 3.224 0 40 DGAB CCc1cc2c(CN3CCC(C)CC3)cc(=O)oc2cc1O 6609616 WIJKMEBXZKUHRA-UHFFFAOYSA-N 301.386 3.293 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@@H](n2ccnc2)C1 69917454 UAHGJUBCZAHKKL-CYBMUJFWSA-N 301.415 3.299 0 40 DGAB O=C(NC1CCCCC1)c1[nH]nnc1Nc1cccc(Cl)c1 67284017 JYBWLLFHBHFMQS-UHFFFAOYSA-N 319.796 3.264 0 40 DGAB CCN(CC)[C@H](CNC(=O)[C@H]1C[C@@H]1c1ccco1)CC(C)C 67612225 HQUVDDNSJNQEAF-JYJNAYRXSA-N 306.450 3.256 0 40 DGAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 7358916 IZEXBMZTKSAMGK-HOTGVXAUSA-N 315.461 3.203 0 40 DGAB CSc1ccccc1C(=O)O[C@@H](C)C(=O)NC1CCCCC1 7431667 ANZURMCOIBECBQ-LBPRGKRZSA-N 321.442 3.403 0 40 DGAB CC[C@@H](/C(O)=N/S(C)(=O)=O)c1cccc(C(F)(F)F)c1 83937402 ALXPNUOVYFKHLA-SNVBAGLBSA-N 309.309 3.115 0 40 DGAB CCc1cc(CNC(=O)N[C@@H](C)c2ccc(F)c(F)c2)on1 96421380 AKKKUIYBQQMUPQ-VIFPVBQESA-N 309.316 3.076 0 40 DGAB C[C@@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccnc1Cl 71894175 AHVJXWSBKGXJRF-IUODEOHRSA-N 316.788 3.337 0 40 DGAB Cc1cc([C@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)n[nH]1 84111233 NJONDGNPGHMRIP-KRWDZBQOSA-N 311.429 3.075 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3ccn[nH]3)C2)C1(C)C 72282716 WVKCHZNLOXXYQZ-LZWOXQAQSA-N 301.434 3.354 0 40 DGAB CN(C[C@@H]1CCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O 95356876 NPKQYXUTEDEBMG-NZVBXONLSA-N 316.228 3.062 0 40 DGAB CC[C@@H](Nc1ccc2nnc(C(F)F)n2n1)c1ncc(C)s1 95426281 ZAHPKORLZJXHNI-MRVPVSSYSA-N 324.360 3.390 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc(Cl)cn1 95430445 NTVSZKNVGMSVFG-NSHDSACASA-N 304.777 3.144 0 40 DGAB CC[C@@H](OC(=O)c1ccc(-c2nc(C)cs2)cc1)C(=O)OC 95977645 YRUFPGGWELGLBT-CYBMUJFWSA-N 319.382 3.227 0 40 DGAB COC[C@@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)on2)C1 85606156 ZPXZPITWFOGPGV-CYBMUJFWSA-N 315.373 3.232 0 40 DGAB c1csc(-c2nnn(Cc3coc(-c4cccs4)n3)n2)c1 9952367 PUFMVIJZUSEPAW-UHFFFAOYSA-N 315.383 3.166 0 40 DGAB CCn1nc(C)c(NC(=O)N[C@@H]2CCc3c(O)cccc32)c1C 89477629 HCBGQCVZKZIOGT-CQSZACIVSA-N 314.389 3.034 0 40 DGAB C[C@H]1CCc2nc(NC(=O)CCn3cc(Cl)cn3)sc2C1 28227854 IQBHBVBEXHNTTN-VIFPVBQESA-N 324.837 3.147 0 40 DGAB CC(C)CNC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314161 TZEKZWRVDKBSCS-UHFFFAOYSA-N 317.458 3.285 0 40 DGAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1ccccn1 32609729 JMRONPMZOSBMFN-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB COCCOCC(=O)Nc1ccc(NC2CCCCC2)cc1 79045080 SRYOVHXHJMOWSJ-UHFFFAOYSA-N 306.406 3.033 0 40 DGAB O=C(CCc1ccccc1)NC[C@@](O)(c1cccs1)C1CC1 75155274 JSTGEZWGCFLVKP-SFHVURJKSA-N 315.438 3.095 0 40 DGAB C[C@@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2)CCC1(F)F 565394533 JLGBVPFIWDEQEX-LLVKDONJSA-N 323.318 3.129 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1C 78403838 AJOPIBMJNMVVSE-LBPRGKRZSA-N 316.426 3.461 0 40 DGAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1C 225850370 LIBOHLKWPXTQOP-AWEZNQCLSA-N 308.403 3.029 0 40 DGAB CCN(CC)CCCNC(=O)c1ccc(SC(F)F)cc1 40039557 YIWUWLDGTMZAEN-UHFFFAOYSA-N 316.417 3.463 0 40 DGAB C[C@H](NC(=O)c1cnc(C2CC2)nc1)c1ccc(Cl)cc1 222600031 WVOWLMUAZQDXQN-JTQLQIEISA-N 301.777 3.498 0 40 DGAB COc1cc2nc(Cl)nc(NCC(F)(F)F)c2cc1OC 228953871 GHJYUNKAOAEMRS-UHFFFAOYSA-N 321.686 3.275 0 40 DGAB COc1cc(Cl)nc(NC(=S)N[C@H](C)c2ccccc2)n1 225963807 OSUJIAWQDNGKJN-SECBINFHSA-N 322.821 3.186 0 40 DGAB CO[C@H]1CCN(C(=O)N2CCCC2)C[C@@H]1Cc1cccc(C)c1 96110537 RRJDKXJZGVMMMW-ROUUACIJSA-N 316.445 3.090 0 40 DGAB CC(C)c1nccn1C[C@@H]1CCCN1C(=O)Nc1cccnc1 96407784 VISFLLHXAQMIBU-HNNXBMFYSA-N 313.405 3.098 0 40 DGAB COc1cccc(OC)c1CC(=O)N[C@H](C)Cc1ccsc1 96461945 INDCLDVUXCAAMA-GFCCVEGCSA-N 319.426 3.055 0 40 DGAB Cc1cc(C(=O)NCCc2nc(C(F)(F)F)cs2)c(C)o1 96432851 SSKRGKCMQXUQLZ-UHFFFAOYSA-N 318.320 3.344 0 40 DGAB CCc1c(C)nc2ccccc2c1N1CCC(NC(C)=O)CC1 96496057 TWPHISHMYGRUIG-UHFFFAOYSA-N 311.429 3.211 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)CC2=CCCCC2)cc1F 96425413 YCSZOJIPPVXQHX-UHFFFAOYSA-N 311.378 3.058 0 40 DGAB COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2)cc1 257304156 SKGYLQZVODAXSD-MRXNPFEDSA-N 312.417 3.033 0 40 DGAB COc1cc(CNCc2cc(Cl)ccc2OC(F)F)on1 585117361 ZJSTUAZUWLGTNL-UHFFFAOYSA-N 318.707 3.228 0 40 DGAB C[C@]1(C2CCNCC2)CCCCN(CCc2ccccc2)C1=O 257274966 NNKSYKICURTTEC-HXUWFJFHSA-N 314.473 3.248 0 40 DGAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 257273162 NFMZMKVCNGIHII-CQSZACIVSA-N 317.820 3.320 0 40 DGAB Cc1nc(CCNC(=O)Cn2c(C)cc3ccccc32)cs1 44896688 DLVBSBRPMQOTIV-UHFFFAOYSA-N 313.426 3.074 0 40 DGAB COCCCC(=O)Nc1ccc(Sc2nncs2)cc1 49317052 XLIVJJXVLVFYDP-UHFFFAOYSA-N 309.416 3.054 0 40 DGAB Oc1ccccc1N1CCN(Cc2ccc(Cl)cc2)CC1 57312685 JNNOHOYZCMCQSZ-UHFFFAOYSA-N 302.805 3.368 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)Nc3ccccn3)o2)cc1 69385405 OBWGXWMWNJFVPW-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1cccs1 90914232 VEZQMPVFBXSPJK-UAGQMJEPSA-N 316.470 3.034 0 40 DGAB CCn1cc(CNc2ccc(Br)c(OC)c2)cn1 80236860 NHKSXZPACQCGCZ-UHFFFAOYSA-N 310.195 3.286 0 40 DGAB CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1cccc(F)c1 1615160420 ZXJHSBUEDVPYBT-CJNGLKHVSA-N 304.409 3.442 0 40 DGAB O=C(Cn1c(-c2cccs2)cc2cccnc21)NCC1CC1 12118256 OAZQKIKZRZXHRL-UHFFFAOYSA-N 311.410 3.291 0 40 DGAB COc1ccc(CN(C)C(=O)Nc2cccc(OC)c2)cc1 13048672 QWYHFCSSCQNVCR-UHFFFAOYSA-N 300.358 3.368 0 40 DGAB CCCCC(=O)Nc1ccccc1C(=O)Nc1c(C)n[nH]c1C 14404799 UIXLZPLCWPYSMP-UHFFFAOYSA-N 314.389 3.408 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1C 19933813 PIPDNAFGNNUPSN-CYBMUJFWSA-N 313.353 3.408 0 40 DGAB CN1CCCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643574349 RGJPZKSIZXTCIK-AEFFLSMTSA-N 316.445 3.222 0 40 DGAB Cc1nc(C)c(C(=O)NC[C@H]2CCCN2c2ccccc2)s1 207991558 SXACIQVBJOURRD-OAHLLOKOSA-N 315.442 3.159 0 40 DGAB Cn1ccnc1SCc1cccc(C(=O)NC(C)(C)C)c1 31866683 NQJGDDHQVPPIMR-UHFFFAOYSA-N 303.431 3.241 0 40 DGAB COCc1cccc(C(=O)Nc2ccc(OC)cc2OC)c1 5279261 MESCQVQBCZBOSI-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)COc3ccccc3)ccc21 17289077 CLALRJDXYRZWSS-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB Cc1ccccc1NC(=O)NCc1ccnc(-c2cnn(C)c2)c1 575618151 JREZPJIJQWWCTD-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(OC)cc2)cc1C 16003404 GFEXCUJGSAHIRM-UHFFFAOYSA-N 319.382 3.494 0 40 DGAB CC(C)[C@@H]1Oc2ccc(N)cc2N(Cc2ccccc2F)C1=O 20276413 VTLPGEPHFLSVRT-KRWDZBQOSA-N 314.360 3.358 0 40 DGAB S=C(Cc1ccc2c3c([nH]c2c1)CCCC3)N1CCOCC1 233279 UPOKJEZWZYOJBT-UHFFFAOYSA-N 314.454 3.249 0 40 DGAB COc1ccc2nc(Nc3ncccc3C(=O)O)sc2c1 382846 VSPQOWXTRAHBLT-UHFFFAOYSA-N 301.327 3.142 0 40 DGAB Cc1cccc(NC(=O)NC[C@H](O)c2ccccc2F)c1C 40525338 JNKDSLBBTGJKEO-INIZCTEOSA-N 302.349 3.298 0 40 DGAB Cc1ccccc1-c1noc(CN2CCO[C@@H]3CCCC[C@@H]32)n1 40555460 WVROLLIIZXGDJS-JKSUJKDBSA-N 313.401 3.188 0 40 DGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccn1 20572980 FQDTWSXTENJSPB-OAHLLOKOSA-N 304.777 3.209 0 40 DGAB CC(C)Nc1nc(NC(C)C)c2cnn(-c3ccccc3)c2n1 1562384 IIFUBVQHFYERGM-UHFFFAOYSA-N 310.405 3.456 0 40 DGAB CN(C)CCCNc1nc(-c2ccncc2)nc2ccccc12 2255247 ZKZSRTDUPLWYSS-UHFFFAOYSA-N 307.401 3.055 0 40 DGAB COc1cccc(-c2cc(C(=O)NCc3ccccc3C)n[nH]2)c1 51315932 SLYVAUYMASCPLB-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H]3CC[C@](C)(C2=O)C3(C)C)cc1 3097280 DLTIGJNQDRWILU-KBXCAEBGSA-N 301.386 3.401 0 40 DGAB CN(C(=O)OC(C)(C)C)[C@@H](Cc1c[nH]c2ccccc12)C(=O)O 2583095 XLQCIKDAEIMMEU-AWEZNQCLSA-N 318.373 3.031 0 40 DGAB in-vitro COc1ccc2[nH]cc([C@H](C(=O)O)N3CCCCCC3)c2c1 20722958 SVQKGNQDISUWIK-MRXNPFEDSA-N 302.374 3.178 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c(C)c1 4576276 OZGSLFUSFRYCNH-HNNXBMFYSA-N 310.397 3.428 0 40 DGAB CCc1cccc2c(C(=O)CSc3nnc(N)s3)c[nH]c12 7535563 SRZBBRDRXADSGG-UHFFFAOYSA-N 318.427 3.139 0 40 DGAB CCOC(=O)[C@H](CC)[C@]1(C)NN=C(c2ccc(C)cc2)S1 7070010 NSLVFVURPJWIEP-XJKSGUPXSA-N 306.431 3.299 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 319546 FKWAHQSNYFFTKX-ZBEGNZNMSA-N 317.772 3.298 0 40 DGAB Cc1cc(C(=O)N2CCC(C)CC2)c2cnn(C(C)C)c2n1 11774903 UCALYKHLWWBESJ-UHFFFAOYSA-N 300.406 3.193 0 40 DGAB Sc1nc2ccccc2c2nc(COc3ccccc3)nn12 8559870 BCWKRRDHOINHGA-UHFFFAOYSA-N 308.366 3.145 0 40 DGAB COC(=O)c1ccc(NC(=S)N[C@@H]2CCCC[C@H]2C)cc1 8685876 RUDVHNAWAFHILW-BXUZGUMPSA-N 306.431 3.338 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCC[C@H]1C)[C@H]2C(=O)O 102308811 GUOHAOSSSNLHLQ-UVQHHTHUSA-N 305.418 3.081 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1cccc(F)c1 32869598 LMRMQPHLIAXTDD-UHFFFAOYSA-N 319.401 3.226 0 40 DGAB CC1(C)Cc2cccc(OCC(=O)NCC3CCCCC3)c2O1 2620553 DOJBZYTUEDFWEH-UHFFFAOYSA-N 317.429 3.475 0 40 DGAB C[C@@H]1CCc2noc(NC(=O)c3cc4ccccc4oc3=O)c2C1 11915470 KMIJUIDFQWRRMO-SNVBAGLBSA-N 324.336 3.158 0 40 DGAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@@H]32)oc2ccc(F)cc12 53378753 KORBOTRPQDCTKX-ZFWWWQNUSA-N 303.333 3.274 0 40 DGAB CCc1ccccc1NCC(=O)Nc1ccc2c(c1)OCCO2 21914108 FCOYKJGIYIDEFK-UHFFFAOYSA-N 312.369 3.071 0 40 DGAB CCCn1ccc(C(=O)Nc2ccc(-n3ccnc3C)cc2)n1 28245826 QNRZCNXLUZMPKS-UHFFFAOYSA-N 309.373 3.040 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C)cc1)C3 20632510 JKYWIPJJBKPEFQ-AWEZNQCLSA-N 320.396 3.298 0 40 DGAB O=S(=O)(NC1CCC(C(F)(F)F)CC1)c1cccs1 24838735 CTKITZCJPRNKOZ-UHFFFAOYSA-N 313.366 3.148 0 40 DGAB OC1CCN(Cc2c(-c3ccccc3)nc3sccn23)CC1 12540632 GNWRJNFARBVLLK-UHFFFAOYSA-N 313.426 3.020 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106648484 HTYVEOATOASBDX-CAOSSQGBSA-N 314.429 3.114 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2ccc(C)s2)cn1 12543196 OPPOMADUPAHAHT-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB Cc1ccccc1CCNC(=O)CCc1nc2ccccc2[nH]1 12531459 XVYYLOCTBYOAGT-UHFFFAOYSA-N 307.397 3.163 0 40 DGAB C[C@H](NC(=O)/C=C/c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 20675392 QIXJZAJIRRGESR-HTXSVMPGSA-N 313.445 3.154 0 40 DGAB COc1c(F)cc(NCC(=O)NC2CCCCCC2)cc1F 55893604 CCMQTPWGJOFSLE-UHFFFAOYSA-N 312.360 3.224 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(-c2nnco2)c1 44087325 GCMWCKGOGMTXPW-RISCZKNCSA-N 300.362 3.437 0 40 DGAB CN(Cc1ccccc1)C(=O)NCc1ccnc(N2CCCC2)c1 26303506 RTLZWRAXUUBKGC-UHFFFAOYSA-N 324.428 3.023 0 40 DGAB O=c1[nH]c2c(oc3ccccc32)c(=O)n1-c1ccc(Cl)cc1 57352089 UWJDFXCFGVURLZ-UHFFFAOYSA-N 312.712 3.079 0 40 DGAB CC(C)(C)NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1 35482329 QFDVHHHGOWCWOA-UHFFFAOYSA-N 320.396 3.463 0 40 DGAB CC(C)(C)C(=O)COC(=O)CCc1nc2ccccc2s1 3239696 YMTWNNWMMISWGY-UHFFFAOYSA-N 305.399 3.387 0 40 DGAB CCOC(=O)c1sc(NC(=S)Nc2ccccc2)nc1C 3227130 IPZBALWUGZSFFW-UHFFFAOYSA-N 321.427 3.437 0 40 DGAB CCOCCCNC(=O)c1c(C)noc1-c1ccc(C)cc1 35672349 FVJQJBUWIRDGCC-UHFFFAOYSA-N 302.374 3.115 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(F)cc1 113942837 HLERMMZOGFILBT-QGZVFWFLSA-N 317.360 3.308 0 40 DGAB NC(=S)c1ccc(C(=O)Nc2cccc(-n3cccc3)c2)cc1 58891685 ORFPAEICZCASLT-UHFFFAOYSA-N 321.405 3.364 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(F)c2F)o1 48261710 LHVKMKMLLXMTGR-MRVPVSSYSA-N 319.304 3.045 0 40 DGAB Cc1csc(NC(=O)CN(C)CCCCc2ccccc2)n1 48374466 VOEAAFWBMJTWCB-UHFFFAOYSA-N 317.458 3.345 0 40 DGAB COc1ccc2c(CC(=O)OCc3c(C)noc3C)coc2c1 3450589 IOQMPPBACUJMIT-UHFFFAOYSA-N 315.325 3.332 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccoc2)cc1OC 12911406 UKVLWXAYXCPAJA-CQSZACIVSA-N 301.342 3.274 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c1 13009883 RLQIHBYTOQRREH-NSHDSACASA-N 321.373 3.068 0 40 DGAB Cc1ccsc1CN(C)S(=O)(=O)c1ccc2c(c1)CCC2 8513025 PQCYHFAJHLHUCJ-UHFFFAOYSA-N 321.467 3.366 0 40 DGAB Cc1ccc(/[S@](C)=N\S(=O)(=O)c2ccc(C)cc2)cc1 13146947 HZTFMTGJVKQSNS-LJQANCHMSA-N 307.440 3.483 0 40 DGAB CN(Cc1ccsc1)S(=O)(=O)c1ccccc1Cl 8059549 XGNWWBDVDWMWPF-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1ccc(-c2cccs2)[nH]c1=O 63918523 LZZQQEGCMDBBDA-UHFFFAOYSA-N 314.410 3.022 0 40 DGAB O=C(CCNc1ncccn1)Nc1ccc(Cl)cc1Cl 13692645 KBZPJKBFLVWXCS-UHFFFAOYSA-N 311.172 3.224 0 40 DGAB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(F)cc3)n2)cc1 5087460 PBKHMVZNEOUNGP-UHFFFAOYSA-N 324.359 3.486 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 5439879 OYHZZUPDHIPVEV-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB COc1ccc(C(=O)NCCSCc2ccco2)cc1C 114426720 LQOIUVSMUVJGAT-UHFFFAOYSA-N 305.399 3.260 0 40 DGAB Cc1cccc(-c2nc(C)nn2CC(=O)N[C@@H](C)c2ccco2)c1 66082320 FCHFJMKBLIILMT-ZDUSSCGKSA-N 324.384 3.032 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OC[C@H]2CC2(Cl)Cl)c1C 7043445 BYDINJRQYDMNBK-SECBINFHSA-N 304.173 3.185 0 40 DGAB O=C(CC(F)(F)F)Nc1nnc(Cc2ccc(F)cc2)s1 69951789 MOGBXNDWXNMSPH-UHFFFAOYSA-N 319.283 3.159 0 40 DGAB COc1ccccc1NC(=O)Cc1ccc(OC(F)F)cc1 8718811 CTZOLYYFWSKXGX-UHFFFAOYSA-N 307.296 3.478 0 40 DGAB NC(=O)c1ccccc1NC(=O)Cc1c(Cl)cccc1Cl 9113421 RNNYGXHTUJKAAR-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB Cc1cc(CNC(=O)Nc2nc3sc(C)cc3s2)no1 83580787 DNNBSGRRNBNJQB-UHFFFAOYSA-N 308.388 3.284 0 40 DGAB Cc1cc(C(=O)NC2(C(=O)O)CCCCC2)c2ccccc2n1 71796240 WHWRAPBIDGFBDE-UHFFFAOYSA-N 312.369 3.061 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)[nH]c2c1 71797051 DTWFESVQINGQPF-QGZVFWFLSA-N 308.385 3.187 0 40 DGAB CNC(=O)Nc1cccc(NC(=O)Cc2cc(C)ccc2C)c1 71794725 JXPGGRRNDACZED-UHFFFAOYSA-N 311.385 3.236 0 40 DGAB CCc1nc([C@H](C)NC(=O)Nc2cnn(CC(C)C)c2)cs1 96435530 FXDZLZSJJYTWJI-NSHDSACASA-N 321.450 3.441 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@@H]2CCCC[C@@H]21 71826690 MLZGOOQPAJKGPN-RDJZCZTQSA-N 324.424 3.183 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1cccc(OC)c1OC 72298409 QHAKFWJNVWSVBO-OAHLLOKOSA-N 315.417 3.087 0 40 DGAB COc1cc(-c2noc([C@@H](C)Sc3ccccn3)n2)ccn1 89913690 SVKDSWHEKXZHJO-SNVBAGLBSA-N 314.370 3.389 0 40 DGAB O=C(OCc1cc2ccccc2[nH]c1=O)c1cc(F)ccc1F 75612642 VJLVWGKCNDEJJO-UHFFFAOYSA-N 315.275 3.163 0 40 DGAB Cc1nnc([C@H](C)OC(=O)C2(c3cccc(Cl)c3)CC2)o1 84291367 SFQFSNLNJBXNRU-VIFPVBQESA-N 306.749 3.367 0 40 DGAB C[C@@H](OC(=O)c1cccc2c1OCCO2)c1nc2ccccc2[nH]1 84647263 FUEFLFJGENZLSS-LLVKDONJSA-N 324.336 3.252 0 40 DGAB CN(C)c1noc(Cc2ccccc2NC(=O)OC(C)(C)C)n1 95439321 MDYSEMHUEYCGAD-UHFFFAOYSA-N 318.377 3.073 0 40 DGAB CN(C(=O)NC[C@H](c1ccco1)N1CCCCC1)C1CCC1 73442656 ZAGVUDBSUBUEGK-OAHLLOKOSA-N 305.422 3.001 0 40 DGAB CCCc1cc(C(=O)NCc2ccc([C@@H]3C[C@@H]3C)o2)cc(O)n1 1548491998 XKUUIUPUKQYUDA-XHDPSFHLSA-N 314.385 3.386 0 40 DGAB CC[C@@H](NCCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 39975604 JWYSGZWMCNTIMR-OAHLLOKOSA-N 317.389 3.061 0 40 DGAB Cc1[nH]nc(CCC(=O)N(C)Cc2cccc3cccnc23)c1C 1506414634 HDJXKFTXYOHWON-UHFFFAOYSA-N 322.412 3.166 0 40 DGAB c1ccc(N2CCN(c3nc(C4CC4)nc4c3CCC4)CC2)cc1 433812569 WTLFIWYASKSPNS-UHFFFAOYSA-N 320.440 3.169 0 40 DGAB CCCN1C(=O)c2cccc3c(N4CCCC4)ccc(c23)C1=O 39369845 CNMWKYUQDRRALT-UHFFFAOYSA-N 308.381 3.446 0 40 DGAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2C)cc1 30849366 QXHKHZJFFORSQF-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCCN(CCc1ccccn1)C(=O)Cc1ccc(OC)cc1 61436382 NITWETZWSNWVLG-UHFFFAOYSA-N 312.413 3.114 0 40 DGAB O[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 195560595 UZMCAPVSEXKTNH-AEFFLSMTSA-N 312.344 3.226 0 40 DGAB Nc1ncc(-c2nc(-c3cccc(C(F)(F)F)c3)no2)s1 89263076 ZFFFBNVHPIXDJX-UHFFFAOYSA-N 312.276 3.461 0 40 DGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccncc1 223939380 INKGRDZEKYDTJM-CQSZACIVSA-N 310.397 3.044 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 223131347 FFJJJCMFBYHLNO-HNNXBMFYSA-N 318.461 3.161 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 222898849 CYKQWQQVRDUPBO-GJZGRUSLSA-N 300.431 3.101 0 40 DGAB O=C(NCCN1CCCCC1)c1ccc2sc(Cl)nc2c1 225975531 RCBTXPJWFOSPAA-UHFFFAOYSA-N 323.849 3.165 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCN(CC2CCOCC2)CC1 191070438 AFOGZAPMVILIHU-PKOBYXMFSA-N 306.494 3.023 0 40 DGAB CCc1nn(C)c(CC)c1CNC1CCN(CC=C(C)C)CC1 97229820 HFRSTJXENUJPCC-UHFFFAOYSA-N 318.509 3.065 0 40 DGAB O=C(NCCn1ccc(-c2cccs2)n1)[C@H]1CC=CCC1 96103857 CWPFLFUEBNCAAE-ZDUSSCGKSA-N 301.415 3.084 0 40 DGAB COC(=O)N1CCC(N[C@@H](c2ccccc2)c2ccco2)CC1 97231779 ULKZTJIFWZXINN-KRWDZBQOSA-N 314.385 3.189 0 40 DGAB O=C(CCn1ncc2ccc(Cl)cc21)Nc1nccs1 96181986 MAEBOFVMYGUBTE-UHFFFAOYSA-N 306.778 3.175 0 40 DGAB CCc1oc2ccccc2c1CC(=O)NCc1ccncc1OC 529233569 QREPABMEBLVJNK-UHFFFAOYSA-N 324.380 3.258 0 40 DGAB Cc1cn2c([C@@H]3CCCN(C(=O)c4ccccn4)C3)cccc2n1 257213876 CJKZMXNXHUYIEH-OAHLLOKOSA-N 320.396 3.058 0 40 DGAB C[C@H](CC(=O)N1CCC(C)(N(C)C)CC1)Cc1cccc(F)c1 585129128 YTUWHUGHTNDSPC-HNNXBMFYSA-N 320.452 3.337 0 40 DGAB CO[C@@H]1CC[C@H](NC(=O)CC(C)(C)CC(=O)c2ccccc2)C1 252481967 CWBPHLOSHVHIKZ-JKSUJKDBSA-N 317.429 3.359 0 40 DGAB CO[C@@](C)(CNC(=O)c1ccccc1C)c1ccccc1F 96123439 FQQOZRYPADZNBL-SFHVURJKSA-N 301.361 3.426 0 40 DGAB CO[C@H]1CCN(Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 585278374 ROVSBHZYWAPIRV-MJGOQNOKSA-N 313.445 3.106 0 40 DGAB Cc1ccc(C)c(CS(=O)(=O)Cc2noc(C(C)(C)C)n2)c1 44938728 MWFSZHIQXNJAFO-UHFFFAOYSA-N 322.430 3.099 0 40 DGAB O=C(CCCC(=O)c1ccc(F)cc1)NCCc1ccco1 69381070 XUBNWXGEORZWIX-UHFFFAOYSA-N 303.333 3.131 0 40 DGAB Cc1cc(I)c(O)cc1Br 97437906 QMITYHKFHMHMQF-UHFFFAOYSA-N 312.932 3.068 0 40 DGAB CCCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)CC 13750864 FNJHNNOILKOTQH-UHFFFAOYSA-N 300.402 3.375 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccccc1 19130488 KRSJVMFDNYHXNB-DOTOQJQBSA-N 304.397 3.300 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)n1 32024948 ZQTDXYVCBLFZIQ-UHFFFAOYSA-N 304.353 3.408 0 40 DGAB CNC(=O)c1cc(NC(=O)NC2CCCCCC2)ccc1F 50086537 QFLQVTMPNPGHML-UHFFFAOYSA-N 307.369 3.030 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NCCCOCC1CC1 40024024 JIRADNIVUSGOEP-UHFFFAOYSA-N 312.797 3.287 0 40 DGAB Cc1nnc(NC(=O)CCn2ccc3c(C)cccc32)s1 40284955 UZGNFSHRWKNYIZ-UHFFFAOYSA-N 300.387 3.138 0 40 DGAB CNc1snc(C)c1C(=O)NC[C@@H]1CCCc2ccccc21 30897726 YMHRKVRPFDRLEO-ZDUSSCGKSA-N 315.442 3.343 0 40 DGAB CCc1cc2c(N[C@@H](C(=O)O)[C@H](C)CC)nc(C)nc2s1 572981 CUXKTIBIQATDCJ-PRHODGIISA-N 307.419 3.473 0 40 DGAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2ccsc2)no1 40528262 SJRINRXYRSUBFW-CYBMUJFWSA-N 305.403 3.210 0 40 DGAB O=C(OCc1nc(-c2cccc(F)c2)no1)c1cccc(F)c1 51315126 VWFSUFRZVCKUJF-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB CCCCCCc1c(C)c2ccc(OCC(N)=O)cc2oc1=O 2501621 OMAOOAJFFKYOFP-UHFFFAOYSA-N 317.385 3.088 0 40 DGAB CNCCCNCc1ccc(OCc2cccs2)c(OC)c1 7523941 ACCSERDWRXUBCX-UHFFFAOYSA-N 320.458 3.035 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1nc(C)c(C)s1 7685884 HJQJUSOWQDWBKY-UHFFFAOYSA-N 306.387 3.176 0 40 DGAB COc1cccc(-c2nc(C(=O)N3CCCC3)cs2)c1OC 29504864 ZQVMGVLMXRGGOJ-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB O=C(Nc1ccc(C(F)(F)F)cc1)NC1CCC(O)CC1 41065543 GIEGSZARQNUENW-UHFFFAOYSA-N 302.296 3.130 0 40 DGAB Cc1oc(C)c(C(=O)NCc2ccccc2Cn2ccnc2)c1C 32860074 XJIMPDXQWZPJQZ-UHFFFAOYSA-N 323.396 3.380 0 40 DGAB Cc1nc2cc(N[C@@H](C)C(=O)N3CCC(C)CC3)ccc2o1 52774510 OYMZKIXSAAPZDG-LBPRGKRZSA-N 301.390 3.195 0 40 DGAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 101276625 UDWIVSTWKGJPGU-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB COc1ccc(CCNc2nc(C)c(C(C)=O)s2)cc1OC 574027 BVLBVSFMHWVPQJ-UHFFFAOYSA-N 320.414 3.326 0 40 DGAB CC(C)COC(=O)[C@@H]1[C@@H](C(=O)OCC(C)C)[C@H]2C=C[C@H]1CC2 104365965 BISLPGDYPCUSGZ-VGWMRTNUSA-N 308.418 3.213 0 40 DGAB CCCCNC(=O)Oc1ccc2c(c1)c(C(=O)OC)c(C)n2C 3117905 IDWYBGKTCIELDS-UHFFFAOYSA-N 318.373 3.162 0 40 DGAB Cc1cnc(NC(=O)c2ccc(CN3CCCCC3)o2)s1 27979820 HDHXHSAICKOZAC-UHFFFAOYSA-N 305.403 3.283 0 40 DGAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)C1CCOCC1 24637822 ZYNJXUCERWAENJ-UHFFFAOYSA-N 324.352 3.453 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc2O1)Nc1ccc2c(c1)CCC2 43389871 YSQDRWBRCSWXOV-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccncc1 12538767 MDSUNRMGBYORJM-INIZCTEOSA-N 324.380 3.107 0 40 DGAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1O2)c1cc(C2CC2)nc2ccccc12 102682237 OAGYRBYGLGLDJP-RZAIGCCYSA-N 308.381 3.162 0 40 DGAB Cc1cc(C(=O)NC[C@@H](C)c2ccccc2)c2c(C)nn(C)c2n1 25447163 SJRCVMLPAQZZLL-GFCCVEGCSA-N 322.412 3.119 0 40 DGAB CCc1nc(C)ncc1C(=O)N1CC=C(c2cccs2)CC1 83817546 OCYRPVMJBICNKO-UHFFFAOYSA-N 313.426 3.338 0 40 DGAB CCN(C(=O)[C@@H](C)OC)[C@@H](c1ccc(C)cc1)c1cccnc1 71903065 RRHPVYCUSCYLQO-QAPCUYQASA-N 312.413 3.363 0 40 DGAB CCO[C@@H]1C[C@@H]1C(=O)Nc1nc2ccccc2n1-c1ccccc1 71933958 IYULYENSPSURMV-WMLDXEAASA-N 321.380 3.389 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 3238968 IUARXGTVQADAQF-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cccc(F)c1 1934169 PVZXQNZENCFCEX-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB C[C@H](Sc1nc2ncccn2n1)C(=O)c1ccc(Cl)cc1 10074619 SOMMORRNOADUPS-VIFPVBQESA-N 318.789 3.141 0 40 DGAB COc1ccc([C@H](NC(=O)CN2CCCC[C@H]2C)C(C)C)cc1 10053439 JLOVKSUFLAXQEE-DNVCBOLYSA-N 318.461 3.383 0 40 DGAB COc1ccc(CNC(=O)/C=C/c2cccs2)cc1OC 3302430 VQBPTTKGHGATSL-SOFGYWHQSA-N 303.383 3.095 0 40 DGAB c1ccc(Cc2noc(CN3CCC[C@@H]3c3ccc[nH]3)n2)cc1 48288788 CSAJYQRGTAACOM-MRXNPFEDSA-N 308.385 3.326 0 40 DGAB CONC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 48345925 FKVOTSFUVBAKDV-UHFFFAOYSA-N 324.789 3.253 0 40 DGAB O=C(NCCCn1cccn1)c1cccc(Oc2ccccc2)c1 27928681 UUOLVKCHJRBRNL-UHFFFAOYSA-N 321.380 3.496 0 40 DGAB Cc1nccc(CNC(=O)N[C@H]2CCC(C)(C)c3ccccc32)n1 69103458 UVWLHCUPWLEADI-KRWDZBQOSA-N 324.428 3.397 0 40 DGAB CC(=O)Nc1cccc(OC(=O)COc2ccccc2Cl)c1 13042494 GJMJSEMUGFGZMB-UHFFFAOYSA-N 319.744 3.283 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCSCC1 69371745 QTTBWZMBLGOCLX-UHFFFAOYSA-N 304.440 3.308 0 40 DGAB Cc1ccccc1CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69661395 VZKSPXSARLYPDK-QZTJIDSGSA-N 300.446 3.013 0 40 DGAB O=C(CN1CCC[C@H]1c1cccs1)NCc1ccccc1 8320472 CNOAPFPVMAFKSM-HNNXBMFYSA-N 300.427 3.201 0 40 DGAB COC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccccc1 5003766 DKTZHWKHJUUTPW-RVDMUPIBSA-N 315.756 3.284 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2cc(C3CC3)on2)c(OC)c1 65410579 DHTDNZMTQUKYJP-JTQLQIEISA-N 316.357 3.060 0 40 DGAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)cc1 8643452 DLZNQLSAQNWZRG-SFHVURJKSA-N 312.344 3.101 0 40 DGAB O=C(NCCc1cccs1)c1ccc(Br)cc1 17909492 QGGLJQPFZFRYEU-UHFFFAOYSA-N 310.216 3.483 0 40 DGAB Cc1cc(NCCOc2ccc3ccccc3c2)n2ncnc2n1 14202298 FLYJJIHTHPAFDU-UHFFFAOYSA-N 319.368 3.077 0 40 DGAB COC(=O)CCC(=O)NC(C)(C)c1cccc(C(F)(F)F)c1 66550380 QJGLEOOMZFLGQB-UHFFFAOYSA-N 317.307 3.010 0 40 DGAB Cn1cc(C(=O)Nc2cccc(-c3cn[nH]c3)c2)c(C(C)(C)C)n1 92283622 BPPOCISJASZDQR-UHFFFAOYSA-N 323.400 3.360 0 40 DGAB NC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc2ccccc12 15027418 KZNWZDMCGJBRMN-FQEVSTJZSA-N 316.404 3.252 0 40 DGAB Nc1nnc(SCc2ccc(F)cc2Br)s1 8751095 UYJNKTPMPCFKBA-UHFFFAOYSA-N 320.212 3.314 0 40 DGAB CC(C)c1cc(C(=O)N2CCOc3c(Cl)cccc32)n(C)n1 89893294 IXZCECSJTIJTLT-UHFFFAOYSA-N 319.792 3.236 0 40 DGAB c1ccc(CCN2CCC(c3c[nH]c4ncccc34)CC2)nc1 72296418 JELFVCHCNUOXIZ-UHFFFAOYSA-N 306.413 3.380 0 40 DGAB Cn1c(=O)cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc21 72325151 DEFLMLXBVJLTJG-UHFFFAOYSA-N 317.348 3.272 0 40 DGAB biogenic CCC(=O)N1CCC[C@@H](C(=O)N2CCC3(CCCCC3)CC2)C1 89941650 JVYAYHDVXQOZQV-MRXNPFEDSA-N 320.477 3.208 0 40 DGAB Fc1ccc(C2CC(NCc3cccnc3-n3ccnc3)C2)cc1 97371336 GZAZIYHIVZNUOU-UHFFFAOYSA-N 322.387 3.442 0 40 DGAB Cc1nc(C(C)(C)NC(=O)CCOCC(F)(F)F)sc1C 76477273 HDGJQLXPCRTFJP-UHFFFAOYSA-N 324.368 3.080 0 40 DGAB CN(C)c1ccc(C(=O)Nc2cnn(-c3ccccc3F)c2)cc1 88252244 VLIDJXWVECXILL-UHFFFAOYSA-N 324.359 3.330 0 40 DGAB Cn1ccc(COC(=O)CCc2ccc(Cl)cc2Cl)n1 95997538 HEDZIDDFWYSLLT-UHFFFAOYSA-N 313.184 3.403 0 40 DGAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CCc2cccnc2)C1 78877384 WKHKOWATMZRFBE-OAHLLOKOSA-N 309.413 3.133 0 40 DGAB CSc1nnc(CNc2c(F)cccc2-n2cccn2)s1 78903861 HBWAXEZLUJTYQS-UHFFFAOYSA-N 321.406 3.197 0 40 DGAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 27685115 RDHCNZYHJPGUHX-VIFPVBQESA-N 305.280 3.185 0 40 DGAB Cc1cc(NC(=O)c2ccc(COCC(F)(F)F)cc2)no1 23751470 COCNEQUUSJKMTL-UHFFFAOYSA-N 314.263 3.314 0 40 DGAB CNc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1=O 1557751 RAEOYMOPVHBBKE-UHFFFAOYSA-N 319.364 3.048 0 40 DGAB biogenic,in-vitro C[C@@H](Nc1cc(Cl)nc(N)n1)c1cccc(-n2ccnc2)c1 78570321 VPUABTRFEYRDBK-SNVBAGLBSA-N 314.780 3.071 0 40 DGAB c1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 72389883 DYZBXRBNBWHJHW-INIZCTEOSA-N 306.369 3.121 0 40 DGAB Cc1cnc([C@H](NCc2nnc(-c3ccco3)o2)C2CC2)s1 185299438 SMVOZWUIJZKZCJ-CYBMUJFWSA-N 316.386 3.335 0 40 DGAB O=C(c1ccc(Br)cc1)c1ccc2c(c1)OCO2 37358034 SEIDLAPXAKBREN-UHFFFAOYSA-N 305.127 3.409 0 40 DGAB O=C(CCc1ccc(F)cc1)N1CCCC[C@@H]1c1cc[nH]n1 72386258 DVZMNZMMFLWEJJ-MRXNPFEDSA-N 301.365 3.235 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(F)cc2)cc1 44949571 FNYUXMPEZHWSJO-UHFFFAOYSA-N 307.390 3.096 0 40 DGAB Cc1ncccc1NC(=O)C[C@H](CC(=O)O)c1cccs1 223128209 BOWVYBORJVZNNN-LLVKDONJSA-N 304.371 3.039 0 40 DGAB CCOCCOc1ccc(NC(=O)C2(OC)CCCCC2)cc1 225628984 AGDFQLKGCVTSIP-UHFFFAOYSA-N 321.417 3.390 0 40 DGAB COc1ccc(OC[C@@H](C)NC(=O)c2cccc(F)c2)cc1 224957589 LHHRRTFPOFWNLE-GFCCVEGCSA-N 303.333 3.032 0 40 DGAB CC(C)C(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41076508 AXDXWBPCMFDQPU-UHFFFAOYSA-N 321.793 3.101 0 40 DGAB c1ccc(CO[C@H]2CCCC[C@H]2N2CCN[C@@H]3CCC[C@@H]32)cc1 225718079 AOIYHYXUOPSXOB-WCIQWLHISA-N 314.473 3.341 0 40 DGAB Cc1nc(NC(=O)[C@H]2CCCO2)sc1Cc1ccccc1F 48374670 MALXYJABJMOZNW-CYBMUJFWSA-N 320.389 3.299 0 40 DGAB O=C(CCN1CCCC[C@@H]1C1(O)CC1)Nc1ccccc1Cl 576485588 AVPGRQXVBJNINT-OAHLLOKOSA-N 322.836 3.048 0 40 DGAB FC(F)(F)c1ccc(N2CCOCC2)cc1Br 95081269 QGLBCWXAHUZWJR-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB Cc1ccc(CN2CCc3ncnc(-c4ccncc4)c3CC2)o1 96255230 IOFQNGVFEJGRPB-UHFFFAOYSA-N 320.396 3.041 0 40 DGAB C[S@@](=O)c1ccc(CNCCSc2ccccc2F)cc1 96461183 XQTCUGXSPSOGCZ-NRFANRHFSA-N 323.458 3.445 0 40 DGAB CO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccc(C)s1 96104879 YDICBTWRLUWMSS-AWEZNQCLSA-N 322.405 3.383 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2c2nc3ccccc3o2)nc1 96122550 KTMGXPWMAZLAMV-CQSZACIVSA-N 322.368 3.139 0 40 DGAB CC(C)(C)N1CCC2(CC1)CN(C(=O)O)Cc1ccccc12 675082809 MWBNFCZVYCTDHC-UHFFFAOYSA-N 302.418 3.312 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](C3OCCO3)C2)cs1 69292855 ACKPGZKQZPMQAG-CYBMUJFWSA-N 310.463 3.071 0 40 DGAB CCC(CC)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69416843 QNHNNSYPNHWWDO-CQSZACIVSA-N 304.434 3.074 0 40 DGAB COc1ccc(F)cc1CSCC(=O)Nc1cc(C)no1 69741683 ZAQGIXKXPHDPEQ-UHFFFAOYSA-N 310.350 3.003 0 40 DGAB Cc1cc(C)nc(NC(=O)NCCc2sc(C)nc2C)c1 97378674 OZNPPSPMYMZYPH-UHFFFAOYSA-N 304.419 3.136 0 40 DGAB Cc1cc(C)nc(SCc2nnc(SC(C)C)n2C)n1 2706245 YGTFSHIEAGSCAF-UHFFFAOYSA-N 309.464 3.015 0 40 DGAB CC1=C(S(=O)(=O)c2ccccc2)[C@@H](c2ccccc2)N(C)O1 5757503 SFPHWCKTYRAJRD-MRXNPFEDSA-N 315.394 3.310 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 14219330 LDVPZOFMRWGKCW-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=S)NC(=O)C1CCCCC1 226353660 TXHJJGFBVWMNAI-UHFFFAOYSA-N 320.414 3.087 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2nnc(C(C)(C)C)s2)C1 1889091576 PKLYGRPURPZSBM-GFCCVEGCSA-N 318.446 3.197 0 40 DGAB NC(=O)[C@H](NCc1ccc(Cl)cc1Cl)c1ccccc1 30007564 MAYCJBSAGMQPQT-CQSZACIVSA-N 309.196 3.310 0 40 DGAB Cc1csc(C(=O)NC[C@H](O)c2ccc3c(ccn3C)c2)c1 245093435 RNHNFWNMHQOTAZ-HNNXBMFYSA-N 314.410 3.012 0 40 DGAB CC(=O)Nc1nc(CSc2ncnc3ccccc23)cs1 12364456 OBQHUGIGYQANDW-UHFFFAOYSA-N 316.411 3.337 0 40 DGAB CCCCC[C@H](C)NC(=O)CCc1nc(-c2ccccn2)no1 30578089 LPPTXPUWPTWGTG-ZDUSSCGKSA-N 316.405 3.149 0 40 DGAB CC(C)COCCCNC(=O)Cc1csc(-c2ccco2)n1 40493478 GCRWHBPNKABGGI-UHFFFAOYSA-N 322.430 3.125 0 40 DGAB O=C(Nc1cccnc1)c1cc(Cc2ccc(Cl)cc2)[nH]n1 1857793056 IPOPQJGGEYNCJU-UHFFFAOYSA-N 312.760 3.301 0 40 DGAB Cc1ccc(NC(=S)NC[C@H]2COc3ccccc3O2)cc1 169026 JTRFIURWUIFMCC-AWEZNQCLSA-N 314.410 3.121 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(C(C)C)n2C)c1C 412573 WSTLEDSHSNHYRT-UHFFFAOYSA-N 318.446 3.286 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)NCCc2ccccc2)c1 69528143 TWOOQCOKHXIGJO-CQSZACIVSA-N 310.397 3.049 0 40 DGAB O=C(Nc1ccc(NC(=O)c2cccs2)nc1)c1ccco1 1352799 IWZUVEVYEJSSTE-UHFFFAOYSA-N 313.338 3.241 0 40 DGAB Cc1nc(CN(C)S(=O)(=O)C[C@@H](C)c2ccccc2)cs1 89712408 RKXJXNFLQBKPQH-GFCCVEGCSA-N 324.471 3.017 0 40 DGAB C[C@@H](c1cccc(Cl)c1)N(C)CC(=O)NCc1ccco1 52162139 NWOSEWFKBLQXFZ-LBPRGKRZSA-N 306.793 3.242 0 40 DGAB Cc1nc(CC(=O)Nc2nc(-c3ccccn3)cs2)cs1 21362783 QQYTWQJLBCHXAM-UHFFFAOYSA-N 316.411 3.151 0 40 DGAB CC(=O)NC(=S)Nc1ccc(C(=O)OC2CCCCC2)cc1 8904201 OAWONLZNXRRWAK-UHFFFAOYSA-N 320.414 3.009 0 40 DGAB CN(CCC(F)(F)F)S(=O)(=O)c1cc(F)ccc1Cl 103157109 UOOGFRBTHYXOIJ-UHFFFAOYSA-N 319.707 3.052 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)/C=C/c1ccco1)CC3 12296332 YJNAFKAUTOEGRH-FNORWQNLSA-N 322.364 3.368 0 40 DGAB biogenic CCc1ccc(CNC(=O)N(C)Cc2c(C)noc2C)s1 46945415 IWBOWHOZMODZQK-UHFFFAOYSA-N 307.419 3.257 0 40 DGAB Cc1ccc(C(C)(C)C)cc1S[C@H]1CC(=O)[C@H]2OC[C@H]1O2 103003117 MKGHGRHUWHPWPR-KBMXLJTQSA-N 306.427 3.468 0 40 DGAB COCCOCc1cccc(NC(=O)N(C)Cc2ccco2)c1 47590325 DVLXGKCLXWOFIW-UHFFFAOYSA-N 318.373 3.107 0 40 DGAB COc1ccc2o/c(=N\O)c(C(=O)Nc3ccc(C)cc3)cc2c1 100620941 ACVNKAXNJVSYQE-ZZEZOPTASA-N 324.336 3.292 0 40 DGAB COc1cc(OC)c(C(=O)CCCCCCC(=O)O)cc1OC 43214197 RAHUICKUHWZUJN-UHFFFAOYSA-N 324.373 3.320 0 40 DGAB C[C@H](N)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 70172781 PATYZPHLABXJRK-UWVGGRQHSA-N 301.217 3.193 0 40 DGAB NC(=S)NNc1nc(-c2ccc3ccccc3c2)cs1 22124796 ZPCZDBTYVDXKPQ-UHFFFAOYSA-N 300.412 3.123 0 40 DGAB COc1ccccc1NC(=O)N1CCO[C@@H](c2ccccc2)C1 25533519 HUAXEOANRKPEKP-QGZVFWFLSA-N 312.369 3.301 0 40 DGAB O[C@@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 20218746 VPULMRMPHWSSHF-SFHVURJKSA-N 316.832 3.196 0 40 DGAB CCOCCC1(CNC(=O)Nc2ccc(OC)cc2)CCC1 89986803 HCFHRSSEHHVNEM-UHFFFAOYSA-N 306.406 3.414 0 40 DGAB C[C@H](O)CN1CCC(CN[C@@H](C)c2ccccc2Cl)CC1 69493316 YBUXWZPSBLVCSU-KBPBESRZSA-N 310.869 3.083 0 40 DGAB Cc1ccsc1C(=O)Nc1ccc(-n2cncn2)c(F)c1 58150062 CUBBZVQTOJRYRZ-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)c1ccc(F)cc1Cl 44979607 KSSNSHSTZZUGTC-UHFFFAOYSA-N 309.772 3.263 0 40 DGAB Cc1c(C(=O)N(Cc2ccncc2)C2CC2)[nH]c2c1C(=O)CCC2 58327616 DXIRDMPAHUSKSZ-UHFFFAOYSA-N 323.396 3.042 0 40 DGAB Cc1ccccc1OCCCSc1nnc(N)n1C1CC1 58356893 NXISILQIPJRHQY-UHFFFAOYSA-N 304.419 3.065 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2c(F)cccc2F)cc1 3397136 MTMCOECSGAWHLS-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(C(=O)N2CCCC2)cc1 11096484 MDPIVEZZBMKCFF-UHFFFAOYSA-N 308.381 3.104 0 40 DGAB C[C@H](CN[C@@H](c1ccc(F)cc1)P(=O)(O)O)c1ccccc1 12998752 BYMKZRBMSWTANU-MLGOLLRUSA-N 323.304 3.395 0 40 DGAB Cc1cc(C(=O)CSc2nnnn2C2CCCC2)c(C)s1 8428938 XUTXPLGUQCACAG-UHFFFAOYSA-N 322.459 3.442 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 69669565 RIMNVDDILJUEFU-GJZGRUSLSA-N 324.359 3.092 0 40 DGAB O=C(O)CS[C@@H]1c2ccccc2C(=O)N1Cc1cccs1 4108795 RYYSBQYTDNNEGK-OAHLLOKOSA-N 319.407 3.221 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 5120460 VWARKJNWOGYEBK-GFCCVEGCSA-N 315.394 3.029 0 40 DGAB C[C@H](NC(=O)CCC(=O)NCc1cccs1)c1ccccc1 4599392 LSLVTDZQYPATFG-ZDUSSCGKSA-N 316.426 3.022 0 40 DGAB CCCOc1cc(S(=O)(=O)N(CC)CC)ccc1Cl 8714696 XFJUBACEWXAQFA-UHFFFAOYSA-N 305.827 3.159 0 40 DGAB O=C1c2ccccc2N[C@H](c2cccnc2)N1Cc1ccco1 7112480 HILVPAUFBYSJII-KRWDZBQOSA-N 305.337 3.441 0 40 DGAB O=C(Cn1ncc(=O)c2ccccc21)OC1CCCCCCC1 67977497 DQHVASPWNSKRKV-UHFFFAOYSA-N 314.385 3.053 0 40 DGAB Clc1ccc(Cl)c(-c2ccc(CNc3nn[nH]n3)o2)c1 7602163 XSTGNGILNCEZQF-UHFFFAOYSA-N 310.144 3.379 0 40 DGAB C[C@H](c1cccnc1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1 68376437 VDMILKYUZLVZPM-CYBMUJFWSA-N 318.465 3.093 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2cc(C)on2)cc1OCC 7976954 TYFPQZIYOQGATQ-LBPRGKRZSA-N 318.373 3.271 0 40 DGAB CC[C@@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C 96010734 NYRYCPWFZZHSAN-LBPRGKRZSA-N 305.403 3.011 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1C(=O)NCc1cccs1 78868960 CWHJOJLSDQLVGR-QWHCGFSZSA-N 324.446 3.058 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(C)cc1 113951140 ONDOLPWDSNQPJA-SFHVURJKSA-N 313.397 3.477 0 40 DGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1cccc(F)c1 9709744 SVPIOCIHAUJWEM-UHFFFAOYSA-N 323.331 3.066 0 40 DGAB COc1cccc(NC(=O)[C@H](C)N(C)Cc2ccc(F)cc2)c1 9503071 NROSFMYAFTVYMK-ZDUSSCGKSA-N 316.376 3.293 0 40 DGAB CCO[C@H]1CCCN(C(=O)c2cc(C)nc3cc(F)ccc23)C1 71825628 ASVCEQHXNFHOCM-AWEZNQCLSA-N 316.376 3.323 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N1CCC(OCc2ccccc2)CC1 71872200 IXJLRTWOTXBHLA-UHFFFAOYSA-N 318.804 3.490 0 40 DGAB Cc1nc(COc2ccc(NC(=O)C3CCCC3)cc2)no1 71888194 VQLPOURVIUPIDZ-UHFFFAOYSA-N 301.346 3.086 0 40 DGAB Cc1cc(N[C@H]2COc3ccccc32)nc(-c2ccncc2)n1 84114724 GNYNYCSZBXXFNY-HNNXBMFYSA-N 304.353 3.393 0 40 DGAB CC(C)c1ccc([C@@H]2C[C@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 72293469 BQLILBXPJAZUBN-DLBZAZTESA-N 309.413 3.222 0 40 DGAB CCCC(=O)N1CCC(OC(=O)c2cc(C)c(CC)o2)CC1 95415942 FEHYIMWUEFATTC-UHFFFAOYSA-N 307.390 3.098 0 40 DGAB Cc1cccn2c(CNc3cccc(C[S@@](C)=O)c3)cnc12 95429153 DCEMSRXCEKJJRX-QFIPXVFZSA-N 313.426 3.133 0 40 DGAB C[C@H](NC[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)c(Cl)c1 95984205 XKPCZXJYSWHSJH-ZJUUUORDSA-N 324.273 3.325 0 40 DGAB OCc1ccc(CN2CCC[C@H](c3nc4ccccc4[nH]3)C2)o1 95982388 GXZSFTPODAKSSS-ZDUSSCGKSA-N 311.385 3.028 0 40 DGAB O=C(NCc1ccccc1)N1CCOC[C@@H]1c1ccc(F)cc1 74561205 WHEKCUIQSATFCO-QGZVFWFLSA-N 314.360 3.109 0 40 DGAB O=C(Cc1ccccc1)N1CCn2c(-c3cccs3)cnc2C1 306128055 GOYWLPLSCGEEHN-UHFFFAOYSA-N 323.421 3.197 0 40 DGAB Cc1cc(S(=O)(=O)NCCc2ccccc2)ccc1Cl 36638927 PQWYHCJMRWSGLX-UHFFFAOYSA-N 309.818 3.169 0 40 DGAB CCn1cc(C(=O)NCC(C)C)c(=O)c2cc(Cl)ccc21 181831415 AJLFSYIAVLZXAN-UHFFFAOYSA-N 306.793 3.061 0 40 DGAB O=c1c2ccccc2ncn1-c1cccc(OC(F)(F)F)c1 30874134 QRIXEIRZOMQCDQ-UHFFFAOYSA-N 306.243 3.284 0 40 DGAB O=C(Cc1ccon1)Nc1ccc(-c2ncc3n2CCCC3)cc1 72962654 KKUVYZMPEWXZFX-UHFFFAOYSA-N 322.368 3.056 0 40 DGAB Cn1nc([C@@H]2CCCO2)cc1NC(=O)c1ccccc1Cl 565343410 CLSJUILOOJCURA-ZDUSSCGKSA-N 305.765 3.177 0 40 DGAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NCc1nccs1 79043796 MHHSPQUTROPTKW-QMMMGPOBSA-N 314.769 3.019 0 40 DGAB CCOc1cccc(CNC(=O)CCc2ccccc2F)c1 48376468 VQKFZUZMIZOKNX-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB S=C(NCc1ccco1)Nc1ncc(Cl)cc1Cl 223900204 AFXVCYATUFPGHA-UHFFFAOYSA-N 302.186 3.468 0 40 DGAB COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)c1cccnc1 225431503 ZYROCOASVPSLIN-HNNXBMFYSA-N 312.369 3.122 0 40 DGAB COc1cc(NC(=O)[C@H](N)Cc2ccccc2)cc2ccccc12 224556184 NWIDLOZVSJGOFK-GOSISDBHSA-N 320.392 3.357 0 40 DGAB Cc1nnc([C@H](C)Sc2nnc(-c3ccccc3O)[nH]2)s1 194586710 PBIBCRVXAABVDR-ZETCQYMHSA-N 319.415 3.191 0 40 DGAB c1cn2c(CN3CCC(OC4CCCCC4)CC3)cnc2cn1 92736002 SAULWWBOZIHEIS-UHFFFAOYSA-N 314.433 3.043 0 40 DGAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1C[C@@H]2CCC[C@H]2C1 96462270 VTQKEMIJGVMTJF-HOTGVXAUSA-N 322.412 3.221 0 40 DGAB CC[C@](NC(=O)c1cccc2[nH]ccc12)(C(=O)O)c1ccccc1 581642705 HGFRUSTUOFQYJV-LJQANCHMSA-N 322.364 3.288 0 40 DGAB O=C(C[C@@H]1CCCN1C(=O)Cc1cccc(O)c1)c1ccccc1 97236719 JZMUSQOICNOMHE-KRWDZBQOSA-N 323.392 3.199 0 40 DGAB C[C@@H](CNC(=O)N(c1ccccc1)c1ccccc1)[S@@](C)=O 96501227 VUSUAZFIXFRPOF-FPTDNZKUSA-N 316.426 3.301 0 40 DGAB Cc1oncc1C(=O)NCc1cc(C2CC2)n(C2CCCC2)n1 96104121 SRBCKEGUTHPIOW-UHFFFAOYSA-N 314.389 3.102 0 40 DGAB O=Cc1cccc(C(F)(F)F)c1I 238572971 NCDFJAONKIWAGM-UHFFFAOYSA-N 300.017 3.123 0 40 DGAB C[C@H](SCC(=O)NCc1cccnc1)c1c(F)cccc1F 96409777 HTCWYXHMOZSTHN-NSHDSACASA-N 322.380 3.470 0 40 DGAB COC[C@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1ccco1 96445961 SCYVIBDKMIFGTO-JTQLQIEISA-N 307.350 3.074 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2nccn2C(F)F)c(C2CC2)n1 584333732 JLAGDCWGUDIOGM-UHFFFAOYSA-N 320.343 3.131 0 40 DGAB CC(C)NC(=O)c1c(-c2ccc(Cl)cc2)noc1[C@H](C)O 253400363 LEOIEJWFESCTNF-VIFPVBQESA-N 308.765 3.187 0 40 DGAB biogenic,in-vitro O=C(COC[C@@H]1CCCO1)Nc1cccc2c(Cl)nccc12 585124538 HIPPHJNPRCTGRI-NSHDSACASA-N 320.776 3.022 0 40 DGAB CCN1CC[C@@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 257225308 FFRQRMCAKKUGRK-CYBMUJFWSA-N 317.462 3.411 0 40 DGAB CCn1nc(C)c(N[C@@H](C)CC(=O)N2CCCCCC2)c1C 97232353 UWRREQXNRXBFPE-ZDUSSCGKSA-N 306.454 3.113 0 40 DGAB CC(=O)N[C@H]1CCCN(C2CCCC2)[C@H]1Cc1cccc(F)c1 1615140508 OJDZTXDNFYMXFH-OALUTQOASA-N 318.436 3.280 0 40 DGAB COc1cccc(Nc2nc(NC(C)C)nc(NC(C)C)n2)c1 5255722 BSNRGUXZBBMWTO-UHFFFAOYSA-N 316.409 3.264 0 40 DGAB COC(=O)c1ccccc1N[P@@](=O)(O)Oc1ccccc1 5606111 LYLSKZPCVZSIAD-UHFFFAOYSA-N 307.242 3.065 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(S)s2)c1C 5730727 ZCJJZGMTKAJCBL-UHFFFAOYSA-N 311.457 3.174 0 40 DGAB COc1ccc([C@H](C)NC(=O)CCn2ccc3ccncc32)cc1 12220840 KVAGSMQAFJDJEQ-AWEZNQCLSA-N 323.396 3.312 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)NCCCN1CCCCC1 13669846 HDQPQUMYUFRJMQ-HNNXBMFYSA-N 306.475 3.159 0 40 DGAB COc1cccc(-c2cc(O)n(-c3nc4ccccc4o3)n2)c1 14607862 IYCMOAIIDSSQMF-UHFFFAOYSA-N 307.309 3.395 0 40 DGAB Clc1ccc(N2CCN(c3ccc(Cl)nn3)CC2)cc1 15829777 VWNDMJHSZLBGNE-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB COc1cccc(C(=O)Nc2nnc(-c3ccco3)s2)c1 17248933 HYHVWTUVHUXXAN-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CCCCc1ccc(NC(=O)N2CCC[C@@H](CC(N)=O)C2)cc1 153288476 PWLIPYBHLWLHLK-HNNXBMFYSA-N 317.433 3.149 0 40 DGAB O=C(NC1CCC(F)(F)CC1)C1(c2ccccc2)CCOCC1 342089167 SAXNRGOPDCEHPO-UHFFFAOYSA-N 323.383 3.429 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3cccnc3)cs2)ncc1F 1888903844 ZHIBYQQWWZSRGD-UHFFFAOYSA-N 314.345 3.300 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888930467 LBODPCJMEBJSRS-IAGOWNOFSA-N 320.436 3.396 0 40 DGAB O=C(NCc1nc2cc(Cl)cnc2[nH]1)OCc1ccccc1 1857775624 QFMKWNADGZIBMA-UHFFFAOYSA-N 316.748 3.038 0 40 DGAB CC[C@H](CNC(=O)/C=C/c1c(C)nn(C)c1C)c1ccccc1 29476631 CQKJGVVWALSSKY-LPQFERQCSA-N 311.429 3.360 0 40 DGAB CCCCNS(=O)(=O)c1ccc(OC(F)F)c(Cl)c1 30288524 MUUQKPRUQCQOMQ-UHFFFAOYSA-N 313.753 3.020 0 40 DGAB Cc1csc(NC(=O)Cc2cc(-c3cccs3)on2)n1 12422271 ZELGNDVIIRPLPE-UHFFFAOYSA-N 305.384 3.349 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)[C@H]1CC=CCC1 1775966286 WKQVUKDOZVYYKZ-QWHCGFSZSA-N 301.342 3.046 0 40 DGAB CN(CCCNC(=O)c1c(F)cccc1F)c1ccccc1 30014936 ZNPKIWXRVKCGQL-UHFFFAOYSA-N 304.340 3.221 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)N[C@@H]3CCCC[C@@H]3C)cc2NC1=O 40023836 WJWALXCSBJUAEW-GMXVVIOVSA-N 317.389 3.106 0 40 DGAB CCCCc1nnc(NC(=O)N2CCc3ccccc3C2)s1 40103318 IKNBLKBANCLTHJ-UHFFFAOYSA-N 316.430 3.471 0 40 DGAB CN(Cc1cccs1)C(=O)[C@@H]1Cc2cc(Cl)ccc2O1 31526130 RTZPIIDAGJPMGF-AWEZNQCLSA-N 307.802 3.364 0 40 DGAB Cc1cc(Cl)ccc1S(=O)(=O)n1cnc2ccccc21 82779 RZVWXXLWENRHCD-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB COc1ccccc1OCC(=O)N[C@@H](c1ccccc1)C1CC1 11207255 KEATYXJXVCLZOS-IBGZPJMESA-N 311.381 3.342 0 40 DGAB Cc1c(-c2ccc(Cl)cc2)[n+]([O-])c(-c2ccccc2)c[n+]1[O-] 2352164 UOFYJYKABKOIPY-UHFFFAOYSA-N 312.756 3.249 0 40 DGAB CSc1cccc(NC(=O)COC(=O)c2ccccc2F)c1 3567331 MSYOJLIXICGBRP-UHFFFAOYSA-N 319.357 3.343 0 40 DGAB O=C(/C=C/c1ccc(Br)cc1)NCc1ccncc1 253758 JXXUYGSHCMZKOH-ZZXKWVIFSA-N 317.186 3.174 0 40 DGAB CCN(CC)CCOC(=O)N1CCC(Cc2ccccc2)CC1 4214964 BSRXEULOHCMVFG-UHFFFAOYSA-N 318.461 3.420 0 40 DGAB in-man CCCc1nnc(SCC(=O)Nc2ccccc2CC)[nH]1 11808035 YSDPDWBBWKUPBV-UHFFFAOYSA-N 304.419 3.050 0 40 DGAB Cc1nccn1Cc1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 29670592 TYGFHPDMAWMEBO-GOSISDBHSA-N 309.413 3.212 0 40 DGAB COc1ccc(OC(=O)c2cnn(-c3ccccc3)c2C)cc1 385359 KECZBGOYTMZNHZ-UHFFFAOYSA-N 308.337 3.409 0 40 DGAB Clc1ccccc1COc1ccccc1CNn1cnnc1 7602392 QPTMPCCQOPPCGR-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB CCc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 7928700 GECIOCSPDIZJNW-HNNXBMFYSA-N 309.365 3.208 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccco1)c1ccc(C)cc1 32748181 CLHJXDYFYTXXBU-CZUORRHYSA-N 314.385 3.033 0 40 DGAB Cc1ccccc1-c1noc(CNC(=O)NC2CCCCC2)n1 41152424 ZJFUCRIBPBASBJ-UHFFFAOYSA-N 314.389 3.177 0 40 DGAB CCCc1nc(Cn2cccc(C(F)(F)F)c2=O)cs1 32801720 TYBLUTJQHRMUJR-UHFFFAOYSA-N 302.321 3.324 0 40 DGAB COc1cc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc(Cl)c1OC 21895274 PCBLLXKHFQJDGG-GHMZBOCLSA-N 311.809 3.475 0 40 DGAB CN1CCN(Cc2ccccc2C(=O)C2CCCCC2)CC1 22028275 HLFJJTDDFOMVKO-UHFFFAOYSA-N 300.446 3.197 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCc2cc(-c3cccs3)on2)c1 22004051 REFMPSJCRWLWLB-UHFFFAOYSA-N 316.338 3.291 0 40 DGAB Cc1cccnc1[C@@H](NC(=O)COCc1ccccc1)C(C)C 71908537 QOVLDNQOQOEDGF-SFHVURJKSA-N 312.413 3.420 0 40 DGAB CCN1CCN(C(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 54559786 ASVWXTJXXVVVST-DHZHZOJOSA-N 300.446 3.161 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@@H]2c2cc(C)on2)c1 42300812 OTXFPLQNQRFBCX-MRXNPFEDSA-N 315.373 3.038 0 40 DGAB CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 57355887 DADDJZGOYAUTLZ-CJNGLKHVSA-N 320.458 3.107 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1F 23545245 MODUZHQZMAGVQS-LLVKDONJSA-N 312.344 3.201 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCc1cccs1 3238341 WTYYWCGRAMVXGV-ZIAGYGMSSA-N 323.458 3.404 0 40 DGAB O=C(OCC(=O)N1CCCC1)c1ccccc1Cc1ccccc1 3243838 LZWCKWOVENMEDW-UHFFFAOYSA-N 323.392 3.057 0 40 DGAB C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cn2)C1=O 1423585 ZSLFTWJRUNIOKC-RISCZKNCSA-N 314.772 3.418 0 40 DGAB Cc1ncc2c(n1)CN(Cc1ccc(F)c3cccnc13)CC2 69452063 RVTFZPAIJZGXFP-UHFFFAOYSA-N 308.360 3.031 0 40 DGAB CC(C)Sc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 56057523 JXEJWSQMJQRECA-UHFFFAOYSA-N 306.475 3.353 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)CC1CCCC1)c1ccc(F)cc1 12627658 WMRKSVSMGPLUMI-KRWDZBQOSA-N 315.392 3.345 0 40 DGAB CCOc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=O)cc1 27021857 WTMGCSJRGZYEAP-UHFFFAOYSA-N 324.336 3.006 0 40 DGAB COc1cc(C(=O)Nc2ncc(C)s2)cc(Cl)c1OC 10030729 PUEMOJCHRONKKH-UHFFFAOYSA-N 312.778 3.374 0 40 DGAB O=C(COCc1ccccc1)N1CCC[C@H]1c1ccc(O)cc1 58229883 BJAKJSSHNRMZFQ-SFHVURJKSA-N 311.381 3.273 0 40 DGAB CNc1ccc(NC(=O)N[C@@H](C)c2cc(F)ccc2OC)cn1 48308595 KOFQBYBCJHBFFN-JTQLQIEISA-N 318.352 3.154 0 40 DGAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C)C1=O 3462100 ALENYSXZBREMMX-LJQANCHMSA-N 308.381 3.352 0 40 DGAB Cc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2c(F)cccc12 12920620 QESJGFJLTPBPQN-UHFFFAOYSA-N 324.311 3.479 0 40 DGAB CN(Cc1cccc(F)c1)[C@H](C(=O)NC1CC1)c1ccccc1 12993017 ULHRXGXKPFHPHY-SFHVURJKSA-N 312.388 3.277 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)O)c1 13469949 UGHKGBZJVKFHOJ-QWHCGFSZSA-N 317.385 3.295 0 40 DGAB O=C1N[C@H](c2cnc(-c3cccs3)s2)Nc2ncccc21 83022758 SOGYWVPLKYLRGA-GFCCVEGCSA-N 314.395 3.121 0 40 DGAB CN(C)c1ccc(C(=O)N2CCCCC[C@H]2c2ccncc2)cn1 49764010 MNIGICTWDZUUEU-KRWDZBQOSA-N 324.428 3.300 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCCc1ccccc1 69739746 VVSSICUYBXFLLN-RBUKOAKNSA-N 300.446 3.095 0 40 DGAB O=c1c2ccccc2nnn1CSc1ccccc1Cl 6352079 NSSYAMPTNWYEPT-UHFFFAOYSA-N 303.774 3.195 0 40 DGAB CCCCn1nnc(NC(=O)c2ccc(Cl)cc2Cl)n1 6398172 FAPZAQJLQVVYAC-UHFFFAOYSA-N 314.176 3.032 0 40 DGAB O=C(CNc1ncnc2ccsc12)Nc1ccc(F)c(F)c1 14094820 KITPJOUELLIYAZ-UHFFFAOYSA-N 320.324 3.020 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H]1CCSc2ccccc21 14109286 PKZOCTXFPYTFFY-CQSZACIVSA-N 302.399 3.187 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1ccc(F)cc1C)c1ccccc1 6507693 KVPHZWXCRNVEDS-KRWDZBQOSA-N 314.360 3.340 0 40 DGAB COc1cc(C)c(NC(=O)[C@H]2CC2(Cl)Cl)cc1OC 8769667 YUJDNTMFSFDSHS-MRVPVSSYSA-N 304.173 3.145 0 40 DGAB O=C1C[C@@H](C(=O)NCCC2=CCCCC2)c2ccc(F)cc2N1 8734545 FWVWHDKKOAWSSR-OAHLLOKOSA-N 316.376 3.258 0 40 DGAB COC(=O)[C@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 6906394 KGTILTPHSJYANE-AWEZNQCLSA-N 323.458 3.009 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)s1 15194407 GNQVYRKZXYIKII-SECBINFHSA-N 323.345 3.080 0 40 DGAB O=C(COC(=O)/C=C/c1cccs1)NCCC1=CCCCC1 7167119 XVSZHOBFWAYFEF-CMDGGOBGSA-N 319.426 3.311 0 40 DGAB C[C@H](Sc1ncn[nH]1)C(=O)Nc1cccc(Cl)c1Cl 7813673 AHXAGJHNDFZQAB-LURJTMIESA-N 317.201 3.231 0 40 DGAB CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2=O 19323825 UANRTLGGDJISTC-UHFFFAOYSA-N 318.848 3.345 0 40 DGAB biogenic CC(=O)c1ccc(S(=O)(=O)N(C)CC2CCCCCC2)cc1 96006444 JDDYZJZVDJFWLX-UHFFFAOYSA-N 323.458 3.480 0 40 DGAB CCN1CCC(NC(=O)/C=C(\C)CCc2ccccc2)CC1 96257261 STAVUZURFHZWTF-FOCLMDBBSA-N 300.446 3.166 0 40 DGAB CCO[C@H]1CCCN(C(=O)Nc2ccc3c(c2)N(CC)CC3)C1 71795669 OGPWTWRDMFCFMO-INIZCTEOSA-N 317.433 3.102 0 40 DGAB COCC(C)(C)NC(=O)C[C@H](c1ccccc1)C(F)(F)F 71796436 OPWRREXRLOUHNI-GFCCVEGCSA-N 303.324 3.264 0 40 DGAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@H]1C[C@@H]1c1ccco1 89826423 XNGURNIJVALTKF-HRCADAONSA-N 321.380 3.206 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](OCCCc2ccccc2)C1 89830539 KHIUVDMJPZIXLA-OAHLLOKOSA-N 316.426 3.007 0 40 DGAB O=C(c1ccc2c(c1)COCO2)N1CC[C@H](Cc2ccccc2)C1 89830330 ZZHYNHHYAIIHOO-MRXNPFEDSA-N 323.392 3.258 0 40 DGAB CN(C)C1CCN(C(=O)c2csc(-c3cccs3)n2)CC1 71846622 HANSHHAPZMPWTC-UHFFFAOYSA-N 321.471 3.038 0 40 DGAB C[C@H](N[C@H](C)c1ccco1)c1ccc(S(C)(=O)=O)c(F)c1 89904726 UDPPVIJMRGHBTF-WDEREUQCSA-N 311.378 3.234 0 40 DGAB NC(=O)c1ccc(CSc2ncccc2Br)cc1 72290072 ZHPPWAMUZIUXEY-UHFFFAOYSA-N 323.215 3.235 0 40 DGAB CC(C)Cn1ncnc1C[S@@](=O)[C@H]1CCc2c(F)cccc21 97047715 AMALVIRRLDWJMI-NYHFZMIOSA-N 321.421 3.009 0 40 DGAB Cn1ccc2ccn(Cc3ccc(F)c4cccnc34)c(=O)c21 75610286 XJZBYMHNNZHYMA-UHFFFAOYSA-N 307.328 3.076 0 40 DGAB Cc1nsc(N2CCN([C@@H](C)c3ccc(F)cc3F)CC2)n1 72302099 ZWZWVMAPQZNLFE-JTQLQIEISA-N 324.400 3.008 0 40 DGAB O=C(Cc1noc(-c2cccc3ccccc23)n1)NC1CCCC1 72551335 AXLKOOCVKBAZPY-UHFFFAOYSA-N 321.380 3.491 0 40 DGAB CCCc1n[nH]c(S[C@H](C)c2cn(-c3ccccc3)nn2)n1 95414688 HVDPSJLDNKFKPD-LLVKDONJSA-N 314.418 3.191 0 40 DGAB Fc1ccc2c(c1)[C@H](NC[C@H]1CCN(CC(F)(F)F)C1)CC2 95420504 MCUDZEFXZRTGBE-IAQYHMDHSA-N 316.342 3.287 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2ccccc2OC(F)(F)F)[C@H]1C 95454884 RGODPVUNRLDQOG-UWVGGRQHSA-N 318.295 3.226 0 40 DGAB O=C(O[C@@H]1CCSc2ccccc21)c1ccc2nncn2c1 73289489 LPUIHRLBOQDJTK-CYBMUJFWSA-N 311.366 3.123 0 40 DGAB Cc1nc(C)c(CNC(=O)N[C@H](C)Cc2ccsc2)s1 78940528 ONMIYKCPTHLMTC-SECBINFHSA-N 309.460 3.252 0 40 DGAB Cc1cccc(C)c1CNc1cc(C(N)=O)ccc1CN(C)C 95986875 QJMKVHYBWFJDAO-UHFFFAOYSA-N 311.429 3.076 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)oc2c1)c1ccc[nH]1 95992299 ZNVDZYFIASMRNP-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB CC(C)(C)c1ccc([C@H]2CCCN2CC2(CO)COC2)cc1 89103880 PCZGTBXECORLID-QGZVFWFLSA-N 303.446 3.130 0 40 DGAB Cc1cc(F)cc2c(=O)c(C(=O)N3CC(C)(C)C3(C)C)c[nH]c12 89587413 OJQMMYVZAIMWTD-UHFFFAOYSA-N 316.376 3.236 0 40 DGAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 113945791 XKCUIZGOLDMHFM-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1OC 20502627 NBPGSFDSWZSAAM-CQSZACIVSA-N 313.397 3.432 0 40 DGAB Cc1nnc2sc(-c3ccccc3NC(=O)CC(C)C)nn12 408574452 QUGORQYTEAYKFT-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB Cc1cn2c(CN(C)C(=O)c3occc3C)c(C)nc2s1 120685636 DOUPRQVALOFPEO-UHFFFAOYSA-N 303.387 3.186 0 40 DGAB O=C(CSc1ccccc1)NCc1ccc(-n2ccnc2)cc1 30753759 DEKBABOHCUKKHL-UHFFFAOYSA-N 323.421 3.281 0 40 DGAB Cc1ccc(CNC(=O)Cc2csc(-c3ccncc3)n2)cc1 31868123 YHFOMSRQTVZNFJ-UHFFFAOYSA-N 323.421 3.372 0 40 DGAB COc1cccc(C(=O)N2CCC[C@@H](Cc3nccs3)C2)c1 72384990 UYMANVCUGFSKPD-ZDUSSCGKSA-N 316.426 3.247 0 40 DGAB Nc1ccc(Cl)c(-c2nc3cc(-n4cnnc4)ccc3o2)c1 30714869 JJGLDGMTYVABHM-UHFFFAOYSA-N 311.732 3.311 0 40 DGAB CCOC(=O)Cc1csc(COc2cc(C)cc(C)c2)n1 72228346 UKBUJBRKYHJLJM-UHFFFAOYSA-N 305.399 3.445 0 40 DGAB CCc1c(C)nc2cc(-c3ccoc3C)nn2c1NCCOC 72336860 UVDQMSJFXDXGEQ-UHFFFAOYSA-N 314.389 3.227 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)c2cccnc2C)cc1OC 74609861 GEYNKFJSVDNCAD-NSHDSACASA-N 318.348 3.037 0 40 DGAB COc1ccc(S(=O)(=O)NC(C)(C)CC(C)(C)C)cc1F 224392818 YUYPUYNQPBSFQV-UHFFFAOYSA-N 317.426 3.327 0 40 DGAB CSc1ccc(Cl)cc1S(=O)(=O)NCc1ccco1 223433077 PTIZEUWVWSCBPG-UHFFFAOYSA-N 317.819 3.133 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)NC2CCCCC2)cc1 225755512 XHHMQCMDQQGOLT-UHFFFAOYSA-N 312.417 3.313 0 40 DGAB O=C([C@@H]1CCCO1)N1CCc2cc(Cl)cc(Cl)c2C1 84209042 PGUXVSVHGYVLGX-ZDUSSCGKSA-N 300.185 3.057 0 40 DGAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1 224847579 KWBQFKAIZXFYFI-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB C[C@](O)(CNC(=O)c1c(F)cccc1Cl)c1ccsc1 80892278 WFYGWQJHKHWRRP-AWEZNQCLSA-N 313.781 3.178 0 40 DGAB COc1ccc(NC(=O)[C@@H]2CN(C)C[C@@H]2c2ccccc2)c(C)c1 226752824 OEHIHDXWQHCODQ-QZTJIDSGSA-N 324.424 3.288 0 40 DGAB CCCCC[C@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 40104356 KZOYBFXGQYTWBZ-LBPRGKRZSA-N 312.435 3.180 0 40 DGAB C[C@H](CCO)N[C@@H](c1ccc(Br)cc1)c1ccco1 195555504 UVMHJIRRBIVGGA-ABAIWWIYSA-N 324.218 3.492 0 40 DGAB C[C@H](NCc1ccnc(N)c1)c1cccc(OC(F)(F)F)c1 193529883 JZMLSTUMLYDOPJ-JTQLQIEISA-N 311.307 3.413 0 40 DGAB O=S(=O)(c1cccs1)N1CCC(c2cccs2)CC1 77103472 RKVPPOKZWMXSDT-UHFFFAOYSA-N 313.469 3.378 0 40 DGAB Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3(COCC3CC3)C2)nc1 96109188 YRFQLSOBJZJZME-APWZRJJASA-N 314.429 3.059 0 40 DGAB Cc1ccc(CCN(CC(F)(F)F)C(=O)c2cnccn2)cc1 96431439 BXSOKNKIVGFDMP-UHFFFAOYSA-N 323.318 3.032 0 40 DGAB CC[C@H](NC(=O)NC1CCC(C(F)(F)F)CC1)[C@H]1CCCO1 95440225 RKYOXLGJVHHWIG-IFWUJCSASA-N 322.371 3.364 0 40 DGAB CCO[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 96241672 ZRJQGKGCUGUYHW-CRAIPNDOSA-N 319.420 3.430 0 40 DGAB CCOCCn1c(CCCC(=O)O)nc2cc(Cl)ccc21 95095661 BVDYJXFNLGICDI-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB O=C(c1cccnc1)N1CCC[C@H](Cc2cnc3[nH]ccc3c2)C1 257325904 WUYBIGAWAHXCBM-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cc1ccncc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 607780320 WFNVDERVQWEWMC-UHFFFAOYSA-N 320.396 3.286 0 40 DGAB CO[C@@](C)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1F 96123464 FGYHQCNXRXAXCP-KRWDZBQOSA-N 323.314 3.396 0 40 DGAB CCc1cc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)no1 585286524 UDOTVHGHLDSKBJ-YVEFUNNKSA-N 306.406 3.047 0 40 DGAB CN(C)Cc1cc([C@@H]2CCCN2C(=O)c2ccsc2)ccn1 585182245 HVHAPIKTJLQGBK-INIZCTEOSA-N 315.442 3.182 0 40 DGAB COc1c(F)cc(NCC(=O)N[C@H]2CCCC[C@@H]2C)cc1F 55893657 RKBZQYMVHUHOQK-HZMBPMFUSA-N 312.360 3.080 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)c1nccc2ccccc12 63722710 QAJDQWKAWCMCME-UHFFFAOYSA-N 316.364 3.084 0 40 DGAB CC[C@H](NC(=O)c1ccc[nH]1)c1nc(C(F)(F)F)cs1 73278313 DNVDEOYQCFBYCI-ZETCQYMHSA-N 303.309 3.371 0 40 DGAB Cc1csc([C@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 95968561 CNBTYXXSNPEGOC-NWDGAFQWSA-N 319.396 3.129 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1CCNC(=O)C1CC1 5136977 MJHFMFZTCBVQNE-UHFFFAOYSA-N 304.390 3.326 0 40 DGAB O[C@@]1(c2ccccc2)CSC2=Nc3ccccc3[C@H]3CCN1N23 5395956 ZNWIULDAACUKJA-SJLPKXTDSA-N 323.421 3.244 0 40 DGAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)C1CCCCC1 12156103 BBVXYOJRQUMFHG-MRXNPFEDSA-N 301.386 3.088 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2cccc3ccccc23)cc1 13166255 JUKMJAHIXRPNEX-UHFFFAOYSA-N 305.333 3.468 0 40 DGAB COC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959801 RAPITAUAHIDTFB-UHFFFAOYSA-N 320.389 3.273 0 40 DGAB c1ccc(CC2CCN(c3cc(-n4cccn4)ncn3)CC2)cc1 1888908391 CCZVCGFXCNXJGC-UHFFFAOYSA-N 319.412 3.121 0 40 DGAB Cc1cnc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)s1 1889084133 HEAMMKDLCCXJSS-UHFFFAOYSA-N 323.853 3.000 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(Cc2c(F)cccc2Cl)C1 1889109010 PGFCPHPZKSHKTP-NSHDSACASA-N 312.816 3.216 0 40 DGAB Cc1cnn(CC2CN(C(=O)Nc3ccccc3Cl)C2)c1 1889149144 GBJMLJWTKGAYJK-UHFFFAOYSA-N 304.781 3.009 0 40 DGAB CCOCC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1 4063016 MWQXBRCLPSTRRE-UHFFFAOYSA-N 313.382 3.333 0 40 DGAB c1ccc(CSc2nnc3ccc(-c4ccco4)nn23)nc1 5141888 KPOMJXQJKJLSIZ-UHFFFAOYSA-N 309.354 3.072 0 40 DGAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1ccco1)C1CC1 5373928 KVJCRYRPLOSPGC-UHFFFAOYSA-N 310.353 3.221 0 40 DGAB CCCC(=O)Nc1cc(-c2cn3nc(OC)ccc3n2)ccc1C 11693458 OBELMDJIOFKZBR-UHFFFAOYSA-N 324.384 3.452 0 40 DGAB COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CCN2C)cc1 14439267 DLDZDBDYUZLISX-KRWDZBQOSA-N 313.397 3.181 0 40 DGAB biogenic O=C1Cc2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2N1 17149907 USJPEKWHOOTCPU-UHFFFAOYSA-N 320.270 3.452 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1ccc2nsnc2c1 36709753 GJCYCZNQCOSHKX-AWEZNQCLSA-N 309.394 3.499 0 40 DGAB CCc1ccc(Oc2nc3n(c(=O)c2CC)CCS3)cc1 5270968 VSHFKRXEPZLOGO-UHFFFAOYSA-N 302.399 3.266 0 40 DGAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1n[nH]c2ccccc12 22408857 PZHLRXBWJYFDTA-UWVGGRQHSA-N 311.307 3.414 0 40 DGAB CCCOc1ccc(C(=O)N2CCOC[C@@H]2C)cc1OCCC 40074438 TYLOMFFCUYAPMH-AWEZNQCLSA-N 321.417 3.125 0 40 DGAB CC[n+]1ccc(/C=C/c2ccc(OC)c(OC)c2OC)cc1 44494 HVMDOHTUNMABGN-VOTSOKGWSA-N 300.378 3.190 0 40 DGAB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccc(F)cc2)c1 36768281 GXLOOIBGNALCNQ-UHFFFAOYSA-N 300.333 3.056 0 40 DGAB O=C(COc1ccc(-c2nnco2)cc1)c1ccc(F)c(F)c1 7433513 HPINFVSPMMCVCO-UHFFFAOYSA-N 316.263 3.277 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)N1CCCCC1 4070809 OQUJHUXTTAQSMO-UHFFFAOYSA-N 301.415 3.043 0 40 DGAB CN([C@@H]1CCc2ccccc21)S(=O)(=O)Cc1ccc(F)cc1 29391876 BQODNLLONVUMBM-QGZVFWFLSA-N 319.401 3.275 0 40 DGAB Cc1noc(C)c1CN1CCC[C@@H]1c1ccc2c(c1)OCCO2 20947706 DAZDAPDMEZNTBY-MRXNPFEDSA-N 314.385 3.400 0 40 DGAB Cc1cccc(C)c1NC(=O)Nc1ccc(C(=O)O)c(O)c1 4771262 OLLNZJDWPKTXKK-UHFFFAOYSA-N 300.314 3.351 0 40 DGAB CCCn1c(C)cc(C(=O)CSc2nnc(CC)[nH]2)c1C 11714582 YGRBYOOEZGMHMZ-UHFFFAOYSA-N 306.435 3.170 0 40 DGAB Cc1ccc(N2C(=O)c3n[nH]c(C)c3[C@@H]2c2cccc(O)c2)cc1 6400905 WCIMVUDLCWLDHZ-SFHVURJKSA-N 319.364 3.482 0 40 DGAB Cc1ccc(NC(=O)NCC[C@H]2C(=O)Nc3ccccc32)cc1 32721134 YVWJSYKZTAQSKO-OAHLLOKOSA-N 309.369 3.243 0 40 DGAB CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccc(F)c1 21473666 OJVDAFHWAOQPGS-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB COc1ccc(CC(=O)NCCn2ccc3ccccc32)cc1 427796 ASHMCLPFOPFQLI-UHFFFAOYSA-N 308.381 3.009 0 40 DGAB biogenic O=C(NCCOc1ccccc1)c1csc2c1CCCC2 32971679 ITCLFFDKUAOMCS-UHFFFAOYSA-N 301.411 3.436 0 40 DGAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccco1)CO3 55393781 NPTQMCDIHUUWRD-UHFFFAOYSA-N 311.337 3.355 0 40 DGAB biogenic Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1C 9232156 YQLIJWZFLADJRS-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB CCc1ccsc1C(=O)N1CCC(c2nc(C)no2)CC1 53455149 NRSZSRYQMMFANQ-UHFFFAOYSA-N 305.403 3.022 0 40 DGAB 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@@]2(C)O 118927093 RNPQQCQDRWIESD-WMGYPJEJSA-N 320.473 3.320 0 40 DGAB Cc1ccc(NC(=O)c2ccc([S@@](=O)C(C)C)cc2)nc1 71921239 VMMRGMALHHSVNW-OAQYLSRUSA-N 302.399 3.158 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)Cn1cnc2cc(F)c(F)cc21 24425555 DZIDPGWBVDDGMM-GWCFXTLKSA-N 307.344 3.009 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C[C@H](O)c1ccc(F)cc1 105895505 NQSLSQSDXKLHED-IRXDYDNUSA-N 317.408 3.047 0 40 DGAB Cc1csc2nc(CN[C@H](C)c3cccc(F)c3)cc(=O)n12 43303317 LEZSFSVQGVJKQQ-LLVKDONJSA-N 317.389 3.054 0 40 DGAB O=S(=O)(NCc1cccc2ccccc12)c1ccc(F)cc1 63764518 VLUCLTHKBAFRFA-UHFFFAOYSA-N 315.369 3.457 0 40 DGAB O=C(Nc1cc(F)ccc1F)[C@H](c1ccccc1)n1cccn1 58014325 KIGMHYSYJRJOIS-INIZCTEOSA-N 313.307 3.389 0 40 DGAB Cc1noc(C)c1CN(C)CC(=O)c1c(C)[nH]c2ccccc12 58179550 ZSVCSBRRORBJHC-UHFFFAOYSA-N 311.385 3.396 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(F)c1)CC2 2197295 PSVKKOKBWHCJLE-UHFFFAOYSA-N 315.344 3.041 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccccc2)cs1 58229431 PAKDOAWZFDSDKU-LSDHHAIUSA-N 301.415 3.149 0 40 DGAB C[C@H]1CCc2noc(NC(=O)c3cc(=O)c4ccccc4o3)c2C1 27750454 ZEHWKSYBMBIHRJ-JTQLQIEISA-N 324.336 3.158 0 40 DGAB CCC[C@@H](C)NC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 48252460 WEBIAGUPLVJZKP-IAQYHMDHSA-N 310.825 3.212 0 40 DGAB Cc1nnc(SCc2nc(-c3ccccc3)no2)n1C1CC1 7617899 CMMUWUKDOROUSN-UHFFFAOYSA-N 313.386 3.264 0 40 DGAB O=C(CNC(=O)c1ccc2ccccc2c1)NC1CCCCC1 3452546 SNZIVTGWBYRKPJ-UHFFFAOYSA-N 310.397 3.019 0 40 DGAB O=C1CSc2ccc(C(=O)N3CCCc4ccccc43)cc2N1 3437519 OYGKPMITISRCAI-UHFFFAOYSA-N 324.405 3.324 0 40 DGAB COc1ccc(CNCc2ccc(-n3nc(C)cc3C)nc2)cc1 48742392 SMHPMVPGIGASAP-UHFFFAOYSA-N 322.412 3.183 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CCC(C)C)cc1 48908558 PNAUPLGLJKNENE-CQSZACIVSA-N 304.434 3.267 0 40 DGAB O=C(CSCc1cccnc1)Nc1cc(Cl)ccc1O 48919220 JBRLSOQPOPUIDA-UHFFFAOYSA-N 308.790 3.313 0 40 DGAB Cc1ccc(C)c([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 4040469 GINHWNMIJHCFEI-ZWKOTPCHSA-N 320.392 3.473 0 40 DGAB biogenic C[C@@H]1CCC[C@@H](NC(=O)COC(=O)/C=C/c2ccccc2)[C@@H]1C 6054078 PVLSEVPNNDPNPH-GZOJFQFASA-N 315.413 3.184 0 40 DGAB COc1ccc(/C=C/c2n[nH]c(-c3ccccc3O)n2)cc1O 6170676 TXXAAALLOXKZEI-VQHVLOKHSA-N 309.325 3.062 0 40 DGAB COc1cc(OCc2nc3ccccc3[nH]2)cc(OC)c1OC 6187473 KHDZLOXWGBUEJM-UHFFFAOYSA-N 314.341 3.168 0 40 DGAB C[C@H]1CN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)O1 65426424 MSHFNHZBVPJOKN-IWUURBKTSA-N 305.462 3.271 0 40 DGAB CC(C)(C(=O)O)[C@@H](O)c1cccc(OCc2ccccc2)c1 82164733 KXIZDHAFHFEPOU-INIZCTEOSA-N 300.354 3.410 0 40 DGAB in-vitro Cc1cccn2cc(CC(=O)N(C)[C@@H]3CCc4ccccc43)nc12 65594688 PJLRGTRCVLMTON-GOSISDBHSA-N 319.408 3.331 0 40 DGAB O=C(NCc1ccsc1)N1CCO[C@@H](c2ccccc2F)C1 65614531 WXSFWNBLZVNNOG-OAHLLOKOSA-N 320.389 3.170 0 40 DGAB Cc1cccc(C2(C(=O)NCc3ccnc(C)n3)CCCC2)c1 69581353 JSXXGSVUKRPQKT-UHFFFAOYSA-N 309.413 3.222 0 40 DGAB NC(=O)c1ccc(COC(=O)c2c(Cl)cccc2Cl)cc1 16747930 HVRZCAOKTVFDMN-UHFFFAOYSA-N 324.163 3.449 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1ccccc1 66300351 KDJPWKMHRWJVBG-LAJNKCICSA-N 305.374 3.102 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1oc2c(OC)cccc2c1C 69372901 JGOZPHXAWHKHDM-CYBMUJFWSA-N 317.385 3.248 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CSC[C@H](O)c1ccccc1 69310527 OAWAJZRMHVKMJF-LZWOXQAQSA-N 307.459 3.243 0 40 DGAB CCSc1nc2ccccc2c(=O)n1CCCOC(C)C 67259099 SBLDLMKHKIOYAJ-UHFFFAOYSA-N 306.431 3.324 0 40 DGAB CNC(=O)c1cn(-c2ccc(C)cc2)nc1-c1cccc(OC)c1 7038938 WRUJGJVRGNGROI-UHFFFAOYSA-N 321.380 3.216 0 40 DGAB CC(C)c1nc(CCNC(=O)NC2CCSCC2)cs1 69847387 KRBLQMAEUZQACR-UHFFFAOYSA-N 313.492 3.004 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)n(C)n1 9653770 YWOQUTQAKYXCQJ-UHFFFAOYSA-N 314.172 3.053 0 40 DGAB C[C@H]1CCN(C(=O)c2cc(C(N)=O)cs2)[C@H](c2ccco2)C1 75390288 OLRIJCLIQPZRCS-JQWIXIFHSA-N 318.398 3.053 0 40 DGAB CC(C)Oc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cn1 89890875 BLYZFBQISIYEHL-LBPRGKRZSA-N 317.364 3.447 0 40 DGAB Nc1nc(COC(=O)c2ccccc2Cl)nc2ccccc12 9379316 DCSPNOYGLSILRZ-UHFFFAOYSA-N 313.744 3.222 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)[C@@H](C(N)=O)c1ccccc1 96993567 UNBPZTADVNKPEJ-OAHLLOKOSA-N 322.330 3.364 0 40 DGAB COc1cc(C)ccc1OCCC(=O)N1C[C@@H]2CCC[C@H]2C1 96462196 WWZHIFRHDRKTNQ-GJZGRUSLSA-N 303.402 3.031 0 40 DGAB C[C@@H](NC(=O)COC1CCCC1)c1nc2c(s1)CCCC2 71896311 HFHUUKQDLNKXQA-LLVKDONJSA-N 308.447 3.158 0 40 DGAB O=C(c1cc(F)c(F)cc1Cl)N1CCO[C@@H]2CCC[C@@H]21 71830857 XXSROAARIVQEII-QWHCGFSZSA-N 301.720 3.012 0 40 DGAB Cn1nccc1NC(=O)Nc1cc(Cl)c(O)c(Cl)c1 97103418 XUOVFSDEFAIRDI-UHFFFAOYSA-N 301.133 3.077 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)[C@@H]1CCN(C2CCCCC2)C1 72313288 CSQBDUMVACLGMJ-HUUCEWRRSA-N 304.434 3.454 0 40 DGAB Cc1ccc([C@@H]2[C@H]3COc4ccccc4[C@@H]3Nc3ncnn32)cc1 72333060 WBBQLFAVVJKBNC-RYQLBKOJSA-N 318.380 3.351 0 40 DGAB COc1cccc2[nH]cc(Cc3nc4cc(F)ccc4c(=O)[nH]3)c12 97371598 DMNAMOOOQPDBPU-UHFFFAOYSA-N 323.327 3.143 0 40 DGAB C[C@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)c1ccsc1 84667433 KHWCPHXDTHUITJ-GWCFXTLKSA-N 317.414 3.476 0 40 DGAB Cn1cc(CNc2ccc(-n3nccc3C(F)(F)F)cc2)cn1 95428820 JGUMJTARWGKQKP-UHFFFAOYSA-N 321.306 3.237 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)N(C)C2CCC2)n1 95416277 XVAYNJNBSKEFJR-UHFFFAOYSA-N 312.417 3.183 0 40 DGAB C[C@@H](C[C@H](O)c1ccco1)NC(=O)N[C@H](C)Cc1ccsc1 95413411 JBFSMOKKJNXOLM-DYEKYZERSA-N 322.430 3.084 0 40 DGAB CCC(=O)N1CC[C@H](N[C@@H]2CCCOc3c(C)cc(C)cc32)C1 95423902 CDYGFJSTHIBSMY-DOTOQJQBSA-N 316.445 3.118 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1c(F)cccc1F 95430457 JTXYGPBCOOFMEW-LBPRGKRZSA-N 319.351 3.303 0 40 DGAB COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95984026 UFHGTAZCULRERM-RISCZKNCSA-N 322.453 3.077 0 40 DGAB CC(C)CC1(CNC(=O)N(C)Cc2cnccn2)CCCC1 88631354 JDHMUPLECIEWJZ-UHFFFAOYSA-N 304.438 3.225 0 40 DGAB CC(=O)c1c(F)cccc1NC[C@H]1CCN(CC(F)(F)F)C1 89265766 GHEUEDXEHWUXDW-LLVKDONJSA-N 318.314 3.324 0 40 DGAB COC(=O)c1csc(NC(=O)N2CCC[C@@H]2C2CCC2)c1 89404433 NHWBKCDHJJSWDG-GFCCVEGCSA-N 308.403 3.331 0 40 DGAB CO[C@]1(C)C[C@@H](NC(=O)N[C@H](C)c2csc(C)n2)C1(C)C 78952799 GJIRENQVZVDPCH-DDHOLCJHSA-N 311.451 3.015 0 40 DGAB NC(=O)Cc1c(-c2ccc(Cl)cc2)nc2ccc(Cl)cn12 22054496 ZOUWHRHJCHJSGJ-UHFFFAOYSA-N 320.179 3.336 0 40 DGAB in-vitro COc1ccccc1NC(C)(C)c1nnnn1-c1ccc(C)cc1 35622463 LLAINFSWTDKZCI-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)OCCO2 69430614 XUQJKUPAFPUYKB-LBPRGKRZSA-N 315.344 3.017 0 40 DGAB COc1cc(CNC[C@H]2CCCO2)ccc1OC1CCCC1 32202092 DXTAZDHFELFANZ-MRXNPFEDSA-N 305.418 3.285 0 40 DGAB O=C(NCC1CCCCC1)C1(c2ccccc2)CCOCC1 32648572 JVWFETXGCMWMAS-UHFFFAOYSA-N 301.430 3.431 0 40 DGAB Cc1noc2nc(-c3cccc(OC(F)F)c3)cc(C(=O)O)c12 36617500 QDUCGXWCGVYUJQ-UHFFFAOYSA-N 320.251 3.498 0 40 DGAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1cccc(C)c1 32812837 XNLJDZLSUTYDBQ-MRXNPFEDSA-N 316.401 3.164 0 40 DGAB CN(Cc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1 36140863 ZDMWGXVXOLAFOP-UHFFFAOYSA-N 308.381 3.086 0 40 DGAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1cc(-c2ccccc2)on1 530179002 KKOZSTZXDKGWRB-CHWSQXEVSA-N 314.385 3.415 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@@H]3C[C@](C)(O)[C@@H](O)[C@@]3(C)CC[C@@H]21 39941863 OOVXZFCPCSVSEM-XSEPRYCASA-N 316.441 3.273 0 40 DGAB Cc1cc(C)nc(OC[C@@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203023 QMTYQPHVOVPRJX-AWEZNQCLSA-N 321.421 3.262 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227250 PAQYZYLXTHVVGF-UONOGXRCSA-N 324.277 3.260 0 40 DGAB CCOc1cc(C(=O)Nc2cc(C)ccn2)nn1-c1ccccc1 72264700 DMWGAKRTVZKFSP-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB Cc1nn(C)cc1-c1nc2cnccn2c1NC1CCCCC1 72342055 HCPOOMDDSZGGCI-UHFFFAOYSA-N 310.405 3.183 0 40 DGAB CCCc1noc([C@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122415 KPJNQZFPAHDVQK-ZDUSSCGKSA-N 320.437 3.244 0 40 DGAB CCc1noc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 41122351 GQLWFCJDQIFUFP-NSHDSACASA-N 305.403 3.022 0 40 DGAB OC1CCN(CCCNC2c3ccccc3-c3ccccc32)CC1 195555464 WDZTWJPRIXBQRC-UHFFFAOYSA-N 322.452 3.193 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cccc(C=O)c2)C1 228909588 BBPYPVDCLCMNJM-OAHLLOKOSA-N 318.417 3.240 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(CC)cc2)cc1 224590449 RLICVTBJWKTFSM-UHFFFAOYSA-N 319.426 3.473 0 40 DGAB C[C@H](NCC1(N2CCCCC2)CCOCC1)c1ccsc1 89595217 COOVPPLXMGZSFU-HNNXBMFYSA-N 308.491 3.434 0 40 DGAB Cc1ccc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)nc1 226747339 RNHMATWKSCAKOG-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB c1ccc(CN2CCC[C@@]3(CCN(Cc4ccco4)C3)C2)nc1 96046940 BFINUIBTGMQNDY-LJQANCHMSA-N 311.429 3.163 0 40 DGAB COC(=O)C1(c2cccc(C(F)(F)F)c2)CCC(=O)CC1 90513063 SQTVUZSDDOWMDK-UHFFFAOYSA-N 300.276 3.259 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1CCOc2ccccc21)c1nccs1 96013783 UZQFAHGDSUPHJP-DGCLKSJQSA-N 317.414 3.070 0 40 DGAB Cn1nc(CNC(=O)c2cccc(C(F)(F)F)c2)cc1C1CC1 96099323 YMPRSQIOLHUNJT-UHFFFAOYSA-N 323.318 3.246 0 40 DGAB CC(C)n1cc([C@H](C)NC(=O)N2CCC[C@@H]2C2CCC2)cn1 96405750 CXYDYDJPJLUMON-XJKSGUPXSA-N 304.438 3.499 0 40 DGAB Brc1cc2c(cc1CN1CCCCC1)OCCO2 96511755 WTVJWOBIWZQPQH-UHFFFAOYSA-N 312.207 3.206 0 40 DGAB O[C@H]1CCCC[C@@H]1CCCNc1nnc(C(F)(F)F)s1 97099698 DPBLDDRGVUDWHK-BDAKNGLRSA-N 309.357 3.300 0 40 DGAB CCCN(CC(=O)O)C(=O)c1cccc(-c2nc(C)cs2)c1 97228636 WTCLFDZBFLMWKT-UHFFFAOYSA-N 318.398 3.055 0 40 DGAB Cc1cnc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 257339493 ZBZAUJLXLRHTJZ-MRXNPFEDSA-N 318.424 3.398 0 40 DGAB Cc1cc(CNC(=O)[C@@H](c2cccnc2)C2CCCCC2)no1 585121324 MAWNYPNNTBKVAA-QGZVFWFLSA-N 313.401 3.358 0 40 DGAB C[C@@H](Cc1cnn(C)c1)c1nc(C2(c3ccncc3)CCC2)no1 656035859 VWQMWAMBVFPIIG-ZDUSSCGKSA-N 323.400 3.014 0 40 DGAB COC1CCN([C@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 42567065 RIIRYDXSUHJDQG-GFCCVEGCSA-N 319.380 3.356 0 40 DGAB O=C(O)c1cc2cc(Br)ccc2nc1OCC1CC1 685937006 GQARWXIAOPHDLV-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1Nc2ccccc2C(=O)N1CC(F)(F)F 44979358 UZUDTIBCNKYHLY-CYBMUJFWSA-N 324.306 3.155 0 40 DGAB CC(=O)c1cccc(I)c1Br 96308635 AFZOEYDPPOYIIQ-UHFFFAOYSA-N 324.943 3.256 0 40 DGAB CCS[C@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 101273776 CRJIKEDAIVBNRT-JTQLQIEISA-N 304.198 3.378 0 40 DGAB c1coc(C(CNc2ncnc3cnccc23)c2ccco2)c1 1775971179 ILXQYKVVBLOIBB-UHFFFAOYSA-N 306.325 3.455 0 40 DGAB CCc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 5658721 IZAOZSDWDSBKQU-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB C[C@@H]1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H](C)O1 14118475 DDGPJLZDSPTSDB-GPMSIDNRSA-N 324.424 3.476 0 40 DGAB CC(C)OCCCNC(=O)c1ccc(N2CCCCC2)cc1 14400710 LOKYIZZMMYXDFK-UHFFFAOYSA-N 304.434 3.222 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 15013174 MAXFXBLBUZJLSJ-RIYZIHGNSA-N 316.744 3.334 0 40 DGAB COC(=O)c1cc(-c2ccc3c(c2)OCCO3)nc2ccccc12 16194078 GSQIAXHSBWMBAT-UHFFFAOYSA-N 321.332 3.460 0 40 DGAB COC(=O)[C@@H](NC1CCSCC1)c1ccc(Cl)c(F)c1 154689042 PWLIZGSHTJPGKX-ZDUSSCGKSA-N 317.813 3.178 0 40 DGAB Cc1cnc(N(C)[C@@H]2CCCN(Cc3ccccc3F)C2)nc1 1889125198 SLQBPHVOVHFCMP-MRXNPFEDSA-N 314.408 3.025 0 40 DGAB Nc1c(Cl)cccc1C(=O)OCCOc1ccccc1F 23494407 UKYSYLGAQFWRPP-UHFFFAOYSA-N 309.724 3.297 0 40 DGAB Cc1nc2ccc(Cl)cn2c1C(=O)N[C@@H](C)c1cccnc1 2037838332 DQJSLGJOIRLICW-JTQLQIEISA-N 314.776 3.182 0 40 DGAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 4346942 NIMLFKFFHIODPF-DAYGRLMNSA-N 305.462 3.329 0 40 DGAB Cc1nc(-c2ccc(NC(=O)COc3ccccc3)c(C)c2)no1 4742102 FKGCFWIZZHRCPR-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB O=C(CN1CCCCC1)NCCC12CC3CC(CC(C3)C1)C2 5043928 UAHSMNUIMYEKSK-UHFFFAOYSA-N 304.478 3.195 0 40 DGAB CSc1ncccc1C(=O)OCc1cc(-c2ccco2)on1 8209481 AYPQJGXBMUAVQE-UHFFFAOYSA-N 316.338 3.409 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1ncc(-c2ccccc2)o1 9321327 XSIGHJOJMRPHJT-UHFFFAOYSA-N 322.320 3.365 0 40 DGAB CCC(=O)N(CCn1cccn1)c1nc2c(F)cccc2s1 22604611 UFIJYWNXALSPIF-UHFFFAOYSA-N 318.377 3.075 0 40 DGAB CO[C@](C)(CNc1ncnc2cnccc12)c1ccccc1F 1775971883 WKGAUURYZQOOIZ-QGZVFWFLSA-N 312.348 3.138 0 40 DGAB COc1ccccc1NC(=S)Nc1ccc2c(c1)OCCO2 13790728 VFJUFSSHXIZBGG-UHFFFAOYSA-N 316.382 3.275 0 40 DGAB COc1ccc(OCCNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1 36644356 JXEUDDZJCRJDBD-SJORKVTESA-N 317.429 3.429 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 73059695 FSIBQVJSWKUDFL-RFAUZJTJSA-N 317.364 3.478 0 40 DGAB CCc1c(C(=O)NCCC2=CCCCC2)cnn1-c1ccccn1 40088750 IOWJRJJHEWYNJU-UHFFFAOYSA-N 324.428 3.450 0 40 DGAB COCCCc1nc2scc(-c3ccc(F)cc3)c2c(=O)[nH]1 50178971 VNHALCXSAHIKNI-UHFFFAOYSA-N 318.373 3.370 0 40 DGAB O=C(Nc1cnc2sccn2c1=O)Sc1ccccc1 33933 FHNFDPVJDHPBIS-UHFFFAOYSA-N 303.368 3.080 0 40 DGAB Clc1cccc([C@H]2C[C@@H](c3cccnc3)Nc3ncnn32)c1 221868 NVQKFOSOXFPIQV-LSDHHAIUSA-N 311.776 3.473 0 40 DGAB COc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(C)C 557584 MOINOJPGIMTGPS-UHFFFAOYSA-N 302.330 3.135 0 40 DGAB CCC(CC)(CC(=O)Nc1ccc(F)c(F)c1F)C(=O)O 11261354 NBWLLBNJLZBSQV-UHFFFAOYSA-N 303.280 3.324 0 40 DGAB O=C(NCc1cccc(F)c1)Nc1nnc(C(F)(F)F)s1 40526706 KXIUPVOVIBUDSN-UHFFFAOYSA-N 320.271 3.018 0 40 DGAB Nc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 1671147 KREILFDAFYILFY-UHFFFAOYSA-N 301.289 3.120 0 40 DGAB O=C(Nc1cc(Br)ccc1O)c1cc(C2CC2)on1 2465698 XDSVUSACZIKXJP-UHFFFAOYSA-N 323.146 3.272 0 40 DGAB COc1ccc(Cl)cc1CNCCCSc1ncccn1 4984183 UZIRKGCZCJACDN-UHFFFAOYSA-N 323.849 3.411 0 40 DGAB COc1ccc(CN2C(=O)N[C@@](C)(CCC(C)C)C2=O)cc1F 6851345 WNBPDRMJGYHXBS-KRWDZBQOSA-N 322.380 3.081 0 40 DGAB Cc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 32911502 LUFXDMVPMQNUDZ-SFHVURJKSA-N 308.425 3.389 0 40 DGAB CC(C)c1nnc(CSc2nccn2Cc2ccccn2)o1 71903285 YFDWMTDSHFIVIW-UHFFFAOYSA-N 315.402 3.125 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccccc1Cl 100659694 JJMYIEVLLAMGNF-BCIPIUJLSA-N 317.772 3.047 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814916 CBMDYRMUJDFFTC-LBPRGKRZSA-N 315.200 3.401 0 40 DGAB CC(=O)Oc1cc(-c2ccccc2)nn1-c1nc2ccccc2[nH]1 20478037 FJOAVEYCGHJBBT-UHFFFAOYSA-N 318.336 3.341 0 40 DGAB O=c1c(C2OCC3(CO2)C[C@@H]2C=C[C@@H]3C2)coc2ccccc12 100220318 RUCWEYBMCQHPJC-NYYJTOMGSA-N 310.349 3.421 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C12CC2 101309831 RZPKBKIEUXFXQC-RNHMSXNNSA-N 323.436 3.152 0 40 DGAB CCc1nc2ccccc2n1CC(=O)n1cccc/c1=N\C(C)C 23197983 BWSGURFXTTULQA-CZIZESTLSA-N 322.412 3.050 0 40 DGAB COCc1c(C(=O)NCc2nc(C)cs2)oc2ccccc12 23457089 JCTATDDYNCHQGA-UHFFFAOYSA-N 316.382 3.274 0 40 DGAB O=C(c1cn(-c2ccc(Cl)cc2)nn1)N1CCc2ccccc21 24841875 HAOSSVBDBXNWOB-UHFFFAOYSA-N 324.771 3.124 0 40 DGAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)C(F)(F)c2ccccc2)C1 55405271 BTMDDCNPVWZPLY-ZIAGYGMSSA-N 310.388 3.015 0 40 DGAB C[C@H](O)C[C@H]1CCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 108472030 DAKCTRQDDYAIRC-QJPTWQEYSA-N 324.387 3.298 0 40 DGAB C[C@@H](NC(=O)c1cccs1)c1nc(-c2ccc(F)cc2)no1 58269022 OABWESFXFCZZDT-SECBINFHSA-N 317.345 3.428 0 40 DGAB Cc1cccc2c1N[C@@H](c1cc(Br)co1)NC2=O 58263805 CJHJIYJDHFCPFG-GFCCVEGCSA-N 307.147 3.205 0 40 DGAB Nc1nc(CSc2nc3ccccc3[nH]2)nc2ccccc12 28082923 WPAJJOIOJIZGCG-UHFFFAOYSA-N 307.382 3.381 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1C 12660740 CTLZXMRCCPUUOE-FRFSOERESA-N 317.429 3.401 0 40 DGAB CCC(=O)Nc1ccc(C(=O)COc2ccc(OC)cc2)cc1 3346135 ZWMSDOILJGUXHF-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1sccc1-n1cccc1 48263344 DYMPAEYWKJOPMP-ZDUSSCGKSA-N 304.415 3.037 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2occc2C)n1 70004157 SCQYSDANWKLOFZ-HNNXBMFYSA-N 301.390 3.096 0 40 DGAB OC1CCC(Nc2nn3cc(-c4ccccc4)nc3s2)CC1 12823508 STLZVGCHLFZADF-UHFFFAOYSA-N 314.414 3.173 0 40 DGAB Cc1nccn1-c1cc(CNCc2cc(F)ccc2F)ccn1 48713932 KKFQYXKEVGMKNK-UHFFFAOYSA-N 314.339 3.144 0 40 DGAB CCn1nccc1C(=O)Nc1ccccc1C(=O)c1ccccc1 27938805 SBAJDJRHRHXQIW-UHFFFAOYSA-N 319.364 3.386 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)s1 5111039 OFJKSTIAIINXQB-GFCCVEGCSA-N 303.383 3.091 0 40 DGAB Cc1ccc2c(CC(=O)NCc3nc4ccccc4[nH]3)coc2c1 6315283 CDEYRSUMXSACMQ-UHFFFAOYSA-N 319.364 3.476 0 40 DGAB COCCCC(=O)N(C)C1CCN(c2ccc(Cl)cc2)CC1 65625710 UNAKRHCZKJGTKI-UHFFFAOYSA-N 324.852 3.194 0 40 DGAB COc1ccccc1CN(C)[C@@H](C)C(=O)NCC1CCCCC1 6602122 MUBZALUDFYHDRK-HNNXBMFYSA-N 318.461 3.212 0 40 DGAB COCC(=O)Nc1c(C)c(C(C)(C)C)nn1-c1ccccc1 69892735 GOOHQQUVKIVMTA-UHFFFAOYSA-N 301.390 3.063 0 40 DGAB CCCc1nc(CS(=O)(=O)[C@H]2CCCc3ccccc32)no1 66503176 HZIKGFXAGQMRBL-AWEZNQCLSA-N 320.414 3.015 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1c[nH]c2ccccc2c1=O 22234053 LKMDMFVTXLLOLT-GFCCVEGCSA-N 322.364 3.028 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)COCC(F)(F)F)c(C)n1C1CC1 67293760 SPVYECLEYJCNDD-VIFPVBQESA-N 318.339 3.137 0 40 DGAB COc1ccc(C(=O)OCc2cccc(F)c2)c(OC)c1OC 7512156 SMIHLAQNNWBXEF-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB COC[C@@H]1CCCN(C(=O)Nc2ccc(SC)c(F)c2)C1 76081994 VLKJEWGBZQWCAR-LLVKDONJSA-N 312.410 3.438 0 40 DGAB Cc1ccc(CN2CCC(N3CCCCC3=O)CC2)c(C)c1 93741648 PNNNMSPITKJWBE-UHFFFAOYSA-N 300.446 3.280 0 40 DGAB Cc1cc(CC(=O)N(C[C@@H]2CCCO2)C2CCC(C)CC2)no1 96425779 VZIIKTVERSHIHZ-IMRCBTMISA-N 320.433 3.112 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)COC[C@@H]2CCCO2)c1 71890837 LNOCISKVTUNFLE-DOMZBBRYSA-N 309.431 3.245 0 40 DGAB CCc1c(C(=O)OC)cnn1-c1nc2c(C)cccc2s1 19910249 BXDVKCSCAPTFPX-UHFFFAOYSA-N 301.371 3.139 0 40 DGAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(Cl)ccn1 72283628 FSQSVAYRWCDZQV-UHFFFAOYSA-N 312.760 3.102 0 40 DGAB CCCOc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1 29299058 CMPXRJHBFUXQHY-UHFFFAOYSA-N 317.360 3.423 0 40 DGAB Cc1cccc(C2CC(N[C@@H](C)C(=O)NCc3ccco3)C2)c1 97108564 OQZOFRYLHBNIPR-OOHWJJMZSA-N 312.413 3.129 0 40 DGAB CCc1nnc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)s1 78942666 GCZWVEHMVNLSBU-JGVFFNPUSA-N 307.341 3.408 0 40 DGAB CN(C)CCNc1nc(C2CC2)nc2sc3c(c12)CCCC3 95459408 DJZWRAGDXHGXHO-UHFFFAOYSA-N 316.474 3.421 0 40 DGAB CCCc1ncc(C(=O)Nc2cccc(NC(=O)NC)c2)s1 95401793 ATKDXHBKZBMBGU-UHFFFAOYSA-N 318.402 3.099 0 40 DGAB Cc1cccc(C2(C(=O)NC[C@@H](C(=O)O)c3ccccc3)CC2)c1 95425557 NNSWQFVUMKJBLS-QGZVFWFLSA-N 323.392 3.011 0 40 DGAB Cc1cccc(NC(=O)N[C@H]2CCC3(C2)OCCO3)c1Cl 95464610 MSGXMVVQAMETQN-NSHDSACASA-N 310.781 3.066 0 40 DGAB OC1=Nc2[nH]ncc2[C@@H](c2c[nH]nc2-c2ccccc2)SC1 79480207 AMTQQZVRXZKMGT-CQSZACIVSA-N 311.370 3.224 0 40 DGAB COc1ccccc1[C@@H]1CCCN1C(=O)CC1(O)CCCC1 73334717 ZUKABWIKWTXIDK-HNNXBMFYSA-N 303.402 3.054 0 40 DGAB CCS[C@H]1CC[C@@H](NC2CCN(c3nccs3)CC2)C1 95990245 AGGIHLVDXLJDQP-KGLIPLIRSA-N 311.520 3.376 0 40 DGAB COc1cnccc1[C@@H](C)NC(=O)N[C@@H](C)c1cc(C)oc1C 186788441 ZYRDWQDFWXUUJW-NEPJUHHUSA-N 317.389 3.421 0 40 DGAB O=C(NC[C@H](O)Cc1ccccc1)c1cccc(C(F)(F)F)c1 70639250 MAOZXLSSNVIDLS-OAHLLOKOSA-N 323.314 3.039 0 40 DGAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCc1cscn1 79032428 UHTOUTGTBNDUJM-UHFFFAOYSA-N 310.806 3.270 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)N[C@H](C)c2ccccc2)c1 32477418 ZYAKEUYFDUQYTO-CABCVRRESA-N 313.397 3.478 0 40 DGAB Cc1cc(-c2c[nH]nc2[C@H]2CCCN2C(=O)c2ccccc2)on1 72390708 NNVHGUHWWPKMFY-OAHLLOKOSA-N 322.368 3.350 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCCc2ccccc2)C1 48331997 SRFMPTKGTMNNCM-QZTJIDSGSA-N 316.489 3.494 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 71832005 YYXYIMRVRXFPRS-UHFFFAOYSA-N 308.853 3.467 0 40 DGAB COc1ccc(Cn2c(C(=O)O)c(C=O)c3ccccc32)cc1 45795963 LNYFAFOLKOTKTB-UHFFFAOYSA-N 309.321 3.209 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccccc1CN1CCSCC1 61789735 GTDMUADAQRINFJ-ZDUSSCGKSA-N 307.463 3.155 0 40 DGAB CCOC(=O)c1nc(-c2cccc(OC(F)(F)F)c2)[nH]c1C 199563623 LPHDYJJASDSALO-UHFFFAOYSA-N 314.263 3.460 0 40 DGAB CC(C)(C)[C@@H](NC(=O)[C@@H]1CC12CCNCC2)c1ccc(F)cc1 195530200 VOHWKXDHOGYRFR-HOTGVXAUSA-N 318.436 3.419 0 40 DGAB COc1ccc(CC[S@](=O)c2ccc(NC(C)=O)cc2)cc1 191174209 HCNDAUKWEXUYNK-QFIPXVFZSA-N 317.410 3.004 0 40 DGAB O=C1NCC[C@@H]1Nc1ccc(Oc2cccc3cccnc23)cc1 96482618 GFXGUQCHBVFFMI-INIZCTEOSA-N 319.364 3.328 0 40 DGAB O=C(/C=C/c1ccncc1)N(Cc1ccccc1)CC(F)F 96432653 CWGACFZHYKXPRP-VOTSOKGWSA-N 302.324 3.389 0 40 DGAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1ccsc1)C2 96044894 ZBRDGFHTCPDGHE-HNNXBMFYSA-N 317.458 3.008 0 40 DGAB CN(C(=O)/C=C/c1ccncc1)[C@@H]1CCCN(c2ccccc2)C1 96406407 HWFUSPMOZYBOIA-JBVUFVISSA-N 321.424 3.222 0 40 DGAB COCc1ccsc1C(=O)O[C@@H]1CCC[C@H]1n1cccn1 97234704 PHLSBRPAUURYLI-CHWSQXEVSA-N 306.387 3.042 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@]2(CCOC2)C1 96461983 DCAPVOQDNHYGCJ-UXLLHSPISA-N 320.820 3.018 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 257282642 OUPQAECJNMGLGD-ZDUSSCGKSA-N 303.431 3.118 0 40 DGAB CCCc1noc([C@H](C)N2CCN(c3ccccc3F)CC2)n1 44583748 VIPVAHJYJPSUSC-ZDUSSCGKSA-N 318.396 3.044 0 40 DGAB Cc1ccc(C)c(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 44871500 VLQJBKICKDKGNG-CYBMUJFWSA-N 300.406 3.093 0 40 DGAB O=C(Nc1nc[nH]n1)c1cccnc1SCC1CCCCC1 75139926 HRADMUHWAQFKTF-UHFFFAOYSA-N 317.418 3.124 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@@H]1O 5568191 PMAMYTOKWXLKLC-RYUDHWBXSA-N 303.189 3.418 0 40 DGAB CCC(=O)N(Cc1cc2ccccc2[nH]c1=O)c1ccccc1 13598742 GVGIGHVYNOKZON-UHFFFAOYSA-N 306.365 3.471 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1ccccc1F 16053456 RQOWGUCUBMTNJG-ZHACJKMWSA-N 321.355 3.341 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1 16274908 IXVKXGVBCOPREZ-YWPYICTPSA-N 318.442 3.257 0 40 DGAB CCOc1ccc(/C=C2\SC(=O)N(CC)C2=O)cc1OC 16679834 NEMPXEDEBNOMHM-LCYFTJDESA-N 307.371 3.150 0 40 DGAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 1977378 GJFJUDKGVBNQPO-LLVKDONJSA-N 317.316 3.018 0 40 DGAB CN(Cc1nccn1C)C(=O)Nc1ccc(Cl)c(Cl)c1 11008901 DFQOTFOJTJDERQ-UHFFFAOYSA-N 313.188 3.391 0 40 DGAB Cc1ccsc1CN1CC[C@H](COc2ccc(F)cn2)C1 1889109348 TXXGCEATDUHSDF-ZDUSSCGKSA-N 306.406 3.492 0 40 DGAB Cc1ccccc1C(=O)NCCc1ccc(-c2cnn(C)c2)cc1 1889255068 HCNAIKPFDNIZOT-UHFFFAOYSA-N 319.408 3.368 0 40 DGAB CC1(C)CN(C(=O)OCc2ccccc2)CC[C@H]1CC(=O)O 953109389 HLYAPRZYJKHXTN-AWEZNQCLSA-N 305.374 3.146 0 40 DGAB CC(C)Oc1ccc(C(=O)N2CCc3sccc3C2)cn1 33240545 DKTGTJIXAOAOLI-UHFFFAOYSA-N 302.399 3.129 0 40 DGAB CC(C)(C)c1cn(C2C[C@@H]3CC[C@H](C2)N3C(=O)C2CCC2)nn1 1776008815 OPZLGTSPZJVWLJ-YIONKMFJSA-N 316.449 3.070 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)N3CCCCC3)o2)cc1 421843 DDQCRHZQFISKMB-UHFFFAOYSA-N 317.414 3.150 0 40 DGAB O=C(NCCOc1ccc(F)cc1)c1c(F)cccc1Cl 23142382 IGKGQLUDDYKAMH-UHFFFAOYSA-N 311.715 3.427 0 40 DGAB C[C@@H](OC(=O)c1cc(Cl)cn1C)c1nc(-c2ccco2)no1 30746495 LAKDSOIAZPWAOG-MRVPVSSYSA-N 321.720 3.240 0 40 DGAB COc1cc(Nc2ncnc3ccccc23)cc(OC)c1OC 171449 DMOVIBQVKSSHCD-UHFFFAOYSA-N 311.341 3.399 0 40 DGAB COc1ncccc1CNC(=O)N(C)[C@H](C)c1cccs1 40553538 FTGCOVDHPVOFBM-LLVKDONJSA-N 305.403 3.054 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)NCc2cccs2)c1 40526950 YVVDKGRXVVECJV-UHFFFAOYSA-N 303.387 3.418 0 40 DGAB COc1cccc([C@@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)c1 1607715 OBEWQTCNLDQARO-KBXCAEBGSA-N 314.337 3.047 0 40 DGAB C[C@H](NCc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 20559279 CJBDUMXBWVDBJL-JTQLQIEISA-N 301.777 3.360 0 40 DGAB O=c1nc(NCc2ccccc2)c2c3c(sc2[nH]1)CCCC3 2884819 SMKBGYWLMGUDDV-UHFFFAOYSA-N 311.410 3.476 0 40 DGAB COC(=O)c1ccc(-c2ccc(CNCc3ccccn3)o2)cc1 6871754 GJGFZRAOCFKVBT-UHFFFAOYSA-N 322.364 3.418 0 40 DGAB O=C(C1CCCC1)N1CCC[C@@](CO)(Cc2ccccc2)C1 11713772 HWLAJRRMMABWCZ-LJQANCHMSA-N 301.430 3.020 0 40 DGAB O=S(=O)(NC1CCCCCC1)c1cccc2cccnc12 423480 VBIWKRQAANLXAY-UHFFFAOYSA-N 304.415 3.236 0 40 DGAB COc1ccc(COC[C@@H](O)CN[C@H](C)CCCC(C)C)cc1 2655941 BAPKHUKMWKHLGY-AEFFLSMTSA-N 323.477 3.377 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)CCc1ccccc1 8134472 FBPMBGZFYHCFLJ-UHFFFAOYSA-N 307.397 3.094 0 40 DGAB Cn1ccc(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)cc1=O 53644013 LSCCKZSHZSFKHY-KRWDZBQOSA-N 302.393 3.401 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1cccc(C)c1 113960241 STNDRYFRWCBIKG-INIZCTEOSA-N 313.397 3.477 0 40 DGAB O=C(Oc1ccc2c(c1)OCO2)c1ccc(Br)cc1 1017165 CUNUANXEAAIMFF-UHFFFAOYSA-N 321.126 3.397 0 40 DGAB CCOC(=O)c1ccc(N2CCc3sccc3[C@H]2C)nc1 24054964 LKSFPZUSQUFLKA-LLVKDONJSA-N 302.399 3.444 0 40 DGAB COc1ccccc1CN(CCO)C(=O)Nc1ccccc1C 47321726 PLJRIAVVHXWVKK-UHFFFAOYSA-N 314.385 3.030 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccn1 25054909 CSFCTXXDJVDJGL-LLVKDONJSA-N 310.332 3.102 0 40 DGAB COc1ccccc1OC[C@@H](C)NC(=O)NC1CCCCC1 57367461 QEDHNSXTFBQTQD-CYBMUJFWSA-N 306.406 3.094 0 40 DGAB O=C(NC1=NCCS1)c1cc2c(Cl)c(Cl)ccc2[nH]1 56199334 KSQZKXFCEQDLBM-UHFFFAOYSA-N 314.197 3.307 0 40 DGAB CCCCCNC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 25704437 VPMYVFILHUTVJZ-INIZCTEOSA-N 324.424 3.499 0 40 DGAB NC(=O)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 26219078 PYEZLMGIVUSAHE-CQSZACIVSA-N 308.303 3.022 0 40 DGAB CCN1CCC(N(C(=O)c2ccc3ccccc3n2)C2CC2)CC1 57370613 NTYONZGEWUMEJI-UHFFFAOYSA-N 323.440 3.324 0 40 DGAB Cc1cccc(S(=O)(=O)Nc2nc3ccccc3s2)c1 57724326 KHZUCZXWHGPICM-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB CC(C)CCN1CCN([C@@H](C)c2nc(C(C)(C)C)no2)CC1 47867670 PDJVOBDWPJTWJS-AWEZNQCLSA-N 308.470 3.092 0 40 DGAB Cc1c(C(=O)NCCc2c[nH]c3ccccc23)cnn1C(C)(C)C 44943908 ZADRXCBFKWLMOB-UHFFFAOYSA-N 324.428 3.400 0 40 DGAB C[C@H](CCNC(=O)Cc1cn2ccsc2n1)c1ccccc1 58331727 RLRXMSXRUFHHOZ-CYBMUJFWSA-N 313.426 3.248 0 40 DGAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)c(C)c1 23961255 NXCOLWLRIJDBNO-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c2cnn(C(C)C)c2n1 48286530 RYKFJGYHHFZACS-UHFFFAOYSA-N 312.417 3.239 0 40 DGAB CC(C)C[C@@H](NC(=O)c1csc2c1CC[C@@H](C)C2)C(=O)O 12940844 KGRYLNMZCAFGKT-ZWNOBZJWSA-N 309.431 3.102 0 40 DGAB CC(C)C[C@H](NC(=O)c1csc2c1CC[C@H](C)C2)C(=O)O 12940837 KGRYLNMZCAFGKT-GWCFXTLKSA-N 309.431 3.102 0 40 DGAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCOc2ccccc21 69327833 KVFKLDCIHUHOLS-CQSZACIVSA-N 317.335 3.490 0 40 DGAB COc1ccnc(CSC(=N)Nc2ccccc2OC)c1 13111047 CSNAEBHURXGNPM-UHFFFAOYSA-N 303.387 3.379 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)Nc1cccnc1N1CCCC1 65415368 YECFCVVRYOUTHI-CYBMUJFWSA-N 314.389 3.028 0 40 DGAB Cc1c(C)n(CCCN(C)C)c2ncnc(NCC(C)C)c12 5346152 LKDPXULMJNNSHY-UHFFFAOYSA-N 303.454 3.068 0 40 DGAB CCn1cnn(CN2CCC[C@H]2c2ccc(OC)cc2)c1=S 14184713 PTZQROXSTIKEBF-HNNXBMFYSA-N 318.446 3.237 0 40 DGAB CC(C)c1ccc(OCC(=O)N2C[C@H](C)OC(C)(C)C2)cc1 65608907 PFGMKJQYAGFXTQ-AWEZNQCLSA-N 305.418 3.215 0 40 DGAB O=C(Nc1cccc(-c2ccsc2)c1)N1CCC[C@H](O)C1 69951837 LRNDYMGMDADZHW-HNNXBMFYSA-N 302.399 3.404 0 40 DGAB Cc1nn(CCC(=O)n2nc(C)c(Cl)c2C)c(C)c1Cl 8714497 FFZJJMUMAMMWHO-UHFFFAOYSA-N 315.204 3.351 0 40 DGAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccc(F)cc1 4676314 AMKDVGYEDKOOSP-ZROIWOOFSA-N 314.341 3.457 0 40 DGAB COC[C@@H](C)NC(=S)NC(c1ccccc1)c1ccccc1 16182693 SVPXAXUGDYKSNZ-CQSZACIVSA-N 314.454 3.275 0 40 DGAB COc1cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1O 7886003 FBQCLBZJNMGJHF-KRWDZBQOSA-N 310.353 3.130 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)c1 16297479 KLCAOAUOZHBFOL-UHFFFAOYSA-N 319.408 3.439 0 40 DGAB O=C(Nc1nncs1)c1cc(Cc2ccccc2)ccc1O 72067430 MZIIJBWSRUNXKH-UHFFFAOYSA-N 311.366 3.087 0 40 DGAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC(n2ccnc2)CC1 96402580 XOGORNQWCOVMMT-UHFFFAOYSA-N 313.445 3.119 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)c1 71882497 PQKCHZPRYDNJMN-SECBINFHSA-N 319.430 3.462 0 40 DGAB Cc1noc([C@H](C)[S@@](=O)Cc2c(F)cccc2Cl)n1 71888568 OXZLUXWQDDLDFS-ZDVLTJLQSA-N 302.758 3.180 0 40 DGAB Cc1nc2ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc2o1 89729870 XFBAAZLEKYVENG-JTQLQIEISA-N 305.378 3.055 0 40 DGAB Cc1[nH]nc(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)c1C 72285750 DZGDAFGPDPTZCB-SNVBAGLBSA-N 309.316 3.119 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 72298669 PPAXYXPELBZGIZ-KGLIPLIRSA-N 308.447 3.117 0 40 DGAB O=C(c1cnccn1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086524 UVBKNOAKMIZLLD-LBPRGKRZSA-N 321.302 3.125 0 40 DGAB Cc1ccc(CN2CCC[C@H](c3nnc4ccccn34)C2)s1 97032572 RMOOSVZQDQFIMS-AWEZNQCLSA-N 312.442 3.479 0 40 DGAB C[C@H](NC(=O)C[C@@](C)(O)C1CC1)c1nc(C(C)(C)C)cs1 89913548 LUIVWTDUUKUHPI-MGPLVRAMSA-N 310.463 3.169 0 40 DGAB O[C@H](CNCc1c[nH]nc1-c1cccs1)c1ccccc1F 97159178 KZDYWAPIEFPWOT-CQSZACIVSA-N 317.389 3.101 0 40 DGAB C[S@](=O)Cc1ccccc1NC(=O)c1ccc(F)cc1F 97139758 MAOJEXIKCOPWJT-OAQYLSRUSA-N 309.337 3.096 0 40 DGAB Cc1csc([C@H](C)CNC(=O)NCCc2ccsc2)n1 97109784 RLBGTZITZNWXRU-SNVBAGLBSA-N 309.460 3.158 0 40 DGAB COC1(CN[C@@H](C)C(C)(C)c2ccc(F)cc2)CCOCC1 97374995 PGHMAMMUGSATNB-AWEZNQCLSA-N 309.425 3.277 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)C[C@H]2CCc3ccccc32)no1 76043687 VHJRMFLNSWOVNB-GDBMZVCRSA-N 311.385 3.162 0 40 DGAB NC(=O)c1ccc(C(=O)N2CCC(=Cc3ccccc3)CC2)cc1 84525638 NSVYYIKIKPYOSW-UHFFFAOYSA-N 320.392 3.105 0 40 DGAB O=C(c1ccnc(F)c1)N1CCN(CC2CC2)c2ccccc21 73304872 GQEWNNFRXQTNKZ-UHFFFAOYSA-N 311.360 3.098 0 40 DGAB C[C@@H]1CN(C(=O)CSC(C)(C)C)c2ccccc2NC1=O 78869218 SOMROZMXBJIYMR-LLVKDONJSA-N 306.431 3.140 0 40 DGAB CCS(=O)(=O)CCN[C@@H](C)c1cc2cc(Cl)ccc2o1 95987877 LYTWVNIFKFTIKN-JTQLQIEISA-N 315.822 3.172 0 40 DGAB O=C(O)c1cn(Cc2ccc(Cl)cc2)nc1C(F)(F)F 408717726 QJPIIUDLFZZVEY-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB CO[C@@H](CN[C@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 65748583 VPHOYLOAYAAPCO-KUHUBIRLSA-N 315.413 3.396 0 40 DGAB in-vitro COC(=O)C(C)(C)[C@H]1CCc2ccccc2N1C(=O)C(C)C 38337857 ZWUSTXYHRHIRAJ-OAHLLOKOSA-N 303.402 3.190 0 40 DGAB Cc1cc2c(c(=O)n1C)[C@@H](c1ccc(C(C)C)cc1)CC(=O)O2 524730477 KRCPMOHYPGXQAK-OAHLLOKOSA-N 311.381 3.258 0 40 DGAB biogenic Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccccc2F)cc1 72333837 DVALXHIRZFJLKM-ZDUSSCGKSA-N 315.344 3.168 0 40 DGAB CC(C)Nc1cc(F)ccc1NC(=O)[C@@H](O)c1ccccc1 73920520 SSFUVEVCXLXZOK-INIZCTEOSA-N 302.349 3.318 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c2ncccc2c1 120546239 NUGIFUOKRMOGAU-LBPRGKRZSA-N 323.400 3.327 0 40 DGAB COC(=O)c1cn(C(=O)c2ccc(OC)c(C)c2)c2ccccc12 222645682 DIVHCXFWIFSJOP-UHFFFAOYSA-N 323.348 3.433 0 40 DGAB COc1ccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225101627 IZUDHSLOUBLGJY-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB COc1cccc([C@H]2CCCN2Cc2ccoc2C(=O)O)c1 568059803 LIPYIDXXRYSFGB-OAHLLOKOSA-N 301.342 3.324 0 40 DGAB C/C=C1\CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(OC)cc12 44021136 DTEXULLZKFAGHZ-OPZPUMDESA-N 324.424 3.317 0 40 DGAB O=c1[nH]c(Nc2ccccc2Cl)nc2ncc3c(c12)CCC3 40373001 CMSTZRASKJWWAD-UHFFFAOYSA-N 312.760 3.204 0 40 DGAB Cc1nc(C(=O)N2c3ccc(Br)cc3C[C@@H]2C)co1 225890260 ONARLSJFTDABMB-QMMMGPOBSA-N 321.174 3.337 0 40 DGAB COc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42770180 ALLOEGGDTFMXCC-NSHDSACASA-N 314.223 3.369 0 40 DGAB COc1ccc(C)cc1C[C@H](OCc1ccccc1)C(=O)O 225119550 XYDKJFOEHMRLQJ-KRWDZBQOSA-N 300.354 3.216 0 40 DGAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)C 224643162 IXUINYJLOGVGTR-CYBMUJFWSA-N 324.852 3.382 0 40 DGAB OCC1CCN(c2ccc3cc(Br)ccc3n2)CC1 96418739 SGCWFOBAZHLFQP-UHFFFAOYSA-N 321.218 3.206 0 40 DGAB Cc1cccc(NC2CCN(C(=O)c3cccc(C)n3)CC2)c1 96420976 OLVAHAMWLMINKY-UHFFFAOYSA-N 309.413 3.415 0 40 DGAB CC(C)c1cc(C(=O)NC2CCCCC2)nc(N2CCCC2)n1 96101257 ZAYWYJXGMVGNEN-UHFFFAOYSA-N 316.449 3.263 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)cc1 96158643 BVABHKILJXAHLL-IBGZPJMESA-N 314.473 3.214 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)c1 96047583 KSDHVUXZTZPOEB-ROUUACIJSA-N 316.376 3.264 0 40 DGAB C[S@@](=O)Cc1ccccc1NC(=O)c1cc2ccccn2c1 97377142 UOKPQSNLYHHKSS-QFIPXVFZSA-N 312.394 3.070 0 40 DGAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 240685992 AJUVUWDJBCNZON-GFCCVEGCSA-N 322.836 3.107 0 40 DGAB O=C(CCC1CCCC1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252570364 WNMXLLIGSBDBRX-WKILWMFISA-N 317.433 3.253 0 40 DGAB Cc1ncsc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257213069 CGBLKZMUCBDHND-ZDUSSCGKSA-N 313.430 3.102 0 40 DGAB C[C@@H](Nc1ncnc2sc3c(c12)CCCC3)c1nccn1C 585099530 QILLXJMTAGMUNZ-SNVBAGLBSA-N 313.430 3.477 0 40 DGAB CC(=O)Nc1ccc(CN2CCC[C@]2(C)c2nccc(C)n2)cc1 257280704 OLZWWVNAVBZFBF-LJQANCHMSA-N 324.428 3.255 0 40 DGAB Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 390829531 FDCQMFQYQKOUAE-CYBMUJFWSA-N 303.793 3.093 0 40 DGAB CC(C)n1c(=O)nc(-c2ccccc2)c2cc3c(cc21)OCO3 1572317 FITUMOSFDCKONA-UHFFFAOYSA-N 308.337 3.373 0 40 DGAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 97035727 KHZNYMVVDXESQA-MLGOLLRUSA-N 322.364 3.360 0 40 DGAB Cc1ccccc1C(=O)NCCn1nc(C2CC2)cc1C1CC1 585300130 KXNREXHPRRBAQW-UHFFFAOYSA-N 309.413 3.376 0 40 DGAB Cc1cccc(NC(=S)NC(=O)/C=C/c2ccco2)c1C 556228 AUACJCJMFYDGMR-CMDGGOBGSA-N 300.383 3.423 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1 430746 LIOXWTXWHKNYGS-LFIBNONCSA-N 309.321 3.048 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCCCN1CCCCCC1 13673512 CXOWEFRMKLVIED-DHZHZOJOSA-N 304.409 3.221 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C 16172832 VXRPVNIULHXBBQ-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB COc1cccc(CN(CCN(C)C)Cc2cccs2)c1 19582596 GQXIUDLIAVYFLC-UHFFFAOYSA-N 304.459 3.321 0 40 DGAB O=C(c1ccco1)N(CCc1cccs1)C1CCOCC1 206675952 URUPSOZRXYDNRW-UHFFFAOYSA-N 305.399 3.205 0 40 DGAB CCCc1nnc(S/C(=C\c2ccc(F)cc2)C(=O)O)[nH]1 7342258 NTVIXWASRMXYIP-FLIBITNWSA-N 307.350 3.114 0 40 DGAB COc1cccc(-c2nc(-c3ccc4nccnc4c3)no2)c1 544997244 CDVNYBPCOWCIFB-UHFFFAOYSA-N 304.309 3.355 0 40 DGAB NC(=O)c1ccsc1NC(=O)CCSc1ccc(F)cc1 4496865 XQZZMLVRSUOYDC-UHFFFAOYSA-N 324.402 3.107 0 40 DGAB COc1cn(-c2ccc(F)cc2)nc1C(=O)Nc1ccccc1 12444022 XNNGPZBFDWOAAC-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB c1ccc(CN2C[C@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)cc1 480577757 JBRDSLMJLPORQJ-CALCHBBNSA-N 319.408 3.396 0 40 DGAB CCc1nnc(SCCCOc2c(C=O)cccc2OC)o1 8731619 HXLHMZBJINVAIX-UHFFFAOYSA-N 322.386 3.014 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1C 30221061 JFPYPNLNASDARX-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB Cc1cc(C(=O)Nc2cccc(N3CCNC3=O)c2)sc1C 40108534 HABMYFSFTVAGPB-UHFFFAOYSA-N 315.398 3.147 0 40 DGAB Cc1cc(C)cc(N(Cc2ccc(F)cc2)S(C)(=O)=O)c1 571583 MVRYYZGLHKOANH-UHFFFAOYSA-N 307.390 3.409 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)Nc2cccc(-c3nnco3)c2)C1 40526937 OGVPWGDIHPYSBR-RYUDHWBXSA-N 300.362 3.246 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)NCCC(C)C)cc1 1379556 WZBFCOBPHNBOCB-INIZCTEOSA-N 317.433 3.154 0 40 DGAB c1ccc(Nc2nc(N3CCOCC3)c3ccccc3n2)cc1 279942 CYMSDJGAQJNOTR-UHFFFAOYSA-N 306.369 3.210 0 40 DGAB aggregator Cc1cc(Nc2ccc3c(c2)OCO3)nc(-n2nc(C)cc2C)n1 4331206 KEQRMEDKEIMKKG-UHFFFAOYSA-N 323.356 3.060 0 40 DGAB CC(C)N(C(=O)CSC(=S)N1CCCCC1)C(C)C 6388423 XVSWRYOJGLJHAC-UHFFFAOYSA-N 302.509 3.136 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)CCc1ccccc1 6879954 QUHNOLUCUKVIMQ-UHFFFAOYSA-N 310.397 3.398 0 40 DGAB O=C1NC(=O)c2ccccc2/C1=C\NCCCC1CCCCC1 32585011 WUHWFHRHYSWZPH-GHRIWEEISA-N 312.413 3.248 0 40 DGAB Cc1cccc(C)c1N(Cc1ccc(F)cc1)S(C)(=O)=O 571906 YAWZKXVEFPRQEH-UHFFFAOYSA-N 307.390 3.409 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 103159307 BSEVBIJSEUMTNE-RBJBARPLSA-N 307.271 3.017 0 40 DGAB CC(C)Cn1cc(C(=O)NC[C@@H]2CCCN2C)c2ccccc21 58427388 TZYREWPWQFIJTK-HNNXBMFYSA-N 313.445 3.121 0 40 DGAB CC[C@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 12522602 UHSZBGHWGMRSOZ-INIZCTEOSA-N 306.369 3.400 0 40 DGAB Cc1nc(-c2cc(C(=O)N3CCOC[C@H]3C)cs2)cs1 55224145 VXMREEWKCCYFNJ-SECBINFHSA-N 308.428 3.041 0 40 DGAB O=C(Nc1cccc(Cl)c1)[C@@H]1CCCN1C(=O)c1ccco1 24987146 OGNOCTOAHZYTQV-ZDUSSCGKSA-N 318.760 3.176 0 40 DGAB O=C(CCc1ccccc1O)Nc1cc(-c2cccs2)n[nH]1 58157827 RWNCQPSUOJJORV-UHFFFAOYSA-N 313.382 3.415 0 40 DGAB c1cc2c(cc1-c1csc(NC[C@@H]3CCCO3)n1)OCO2 3351510 KICXBQXFTMKLGT-NSHDSACASA-N 304.371 3.130 0 40 DGAB O=C(c1ccc2c(c1)CCC2)N1CCC(CN2CCCC2)CC1 44954585 VEVZUSOXXZFUKB-UHFFFAOYSA-N 312.457 3.123 0 40 DGAB CCCc1noc(CCCC(=O)NCCc2cccc(C)c2)n1 58331720 WUPBHEZRBIVUDM-UHFFFAOYSA-N 315.417 3.012 0 40 DGAB O=C1N[C@@H](c2cc(Br)cs2)Oc2ccccc21 2232829 SGMPMXZOYIJSJW-GFCCVEGCSA-N 310.172 3.332 0 40 DGAB CN(Cc1nc(-c2ccccn2)no1)[C@@H]1CCc2ccccc21 48289915 NFZCZCUWEPIPLB-MRXNPFEDSA-N 306.369 3.251 0 40 DGAB O=C1OC(c2cccs2)=N/C1=C\c1cnn(-c2ccccc2)c1 12857378 DTEUPMLOVOXNKV-ZROIWOOFSA-N 321.361 3.278 0 40 DGAB c1sc(N2CCOCC2)nc1C12CC3CC(CC(C3)C1)C2 12802641 KRQTUYNOJMCDRZ-UHFFFAOYSA-N 304.459 3.448 0 40 DGAB Cc1nc2cc(C(=O)N3CCC[C@@H]3c3ccccn3)ccc2n1C 69421157 ULBFFZJKQJLOTM-GOSISDBHSA-N 320.396 3.254 0 40 DGAB CCn1cc(CC(=O)NC[C@H](O)c2ccccc2)c2ccccc21 69441226 LIJBDRWACZLBOY-IBGZPJMESA-N 322.408 3.054 0 40 DGAB O=C(O)C[C@@H](NC(=O)CCc1ccccc1)c1cccs1 13388884 GVYLAKIHICIEDX-CYBMUJFWSA-N 303.383 3.013 0 40 DGAB O=C(O)C[C@H](NC(=O)CCc1ccccc1F)c1cccs1 13389711 NXZTWJOFMNGONS-ZDUSSCGKSA-N 321.373 3.152 0 40 DGAB COC(=O)C(=C\c1ccccc1)/C(=C/c1ccccc1)C(=O)O 13556996 BTTPFHZJCDGQJR-MCOFMCJXSA-N 308.333 3.411 0 40 DGAB O=S(=O)(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 25375046 VPDWHHKLOGXZSC-BDAKNGLRSA-N 313.366 3.148 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 69527842 QQTQSMMMWCVAIT-ZDUSSCGKSA-N 322.836 3.109 0 40 DGAB Cc1ccc([C@@H](CNC(=O)Cc2cccs2)N2CCCC2)o1 69559851 WLQWCPUKYRWDAN-OAHLLOKOSA-N 318.442 3.145 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2F)cc1 28210913 YHIGVODCNVMWCQ-UHFFFAOYSA-N 309.243 3.143 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2cc(-c3ccccc3)no2)cn1 69740483 QMBWCMQKCIKOGC-SFHVURJKSA-N 308.385 3.412 0 40 DGAB CC(=O)Nc1cc(NC(=O)[C@H]2COc3ccccc3C2)ccc1C 65567305 CRNCNTIKDBFHNR-OAHLLOKOSA-N 324.380 3.143 0 40 DGAB O=C(Nc1cccc(Cl)c1SC(F)F)[C@H]1COCCO1 65603490 VPORNGYCTPKUMA-SECBINFHSA-N 323.748 3.009 0 40 DGAB Cc1ccc(NC(=O)c2ccccc2SCC(N)=O)cc1C 14201281 OHKJLFMUQPAJIK-UHFFFAOYSA-N 314.410 3.133 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOc1cccc(C)c1 14247276 QKTULAAIQVDAME-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB COc1ccc(OC)c(NC(=S)Nc2ncccc2C)c1 6633019 XWDLOQPYGDNDKI-UHFFFAOYSA-N 303.387 3.216 0 40 DGAB CCCCCC(=O)Nc1ccc(-c2nn3cnnc3s2)cc1 4822364 WHIMNIMVGUZDPA-UHFFFAOYSA-N 315.402 3.372 0 40 DGAB CCc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3)nn2)cc1 67262114 YLKAVZSXLJSCNU-AWEZNQCLSA-N 320.396 3.321 0 40 DGAB O=C1COc2ccc(-c3csc(-c4ccccn4)n3)cc2N1 7845279 RAURDEDKNXWSLF-UHFFFAOYSA-N 309.350 3.203 0 40 DGAB Cc1cccc2nc(C(=O)Nc3ccc4c(c3)OCCCO4)cn12 7942588 HOUJJPUPOGXZHE-UHFFFAOYSA-N 323.352 3.056 0 40 DGAB COc1ccccc1[S@@](=O)Cc1cnn(-c2ccccc2)c1 83982693 BWBLNXALSNRHMI-JOCHJYFZSA-N 312.394 3.189 0 40 DGAB COc1cccc2cc(C(=O)Nn3c(C)cc(C=O)c3C)oc12 408566186 FAMWMYHDIUSNSJ-UHFFFAOYSA-N 312.325 3.056 0 40 DGAB Cc1cc(NCc2ccc(CO)o2)nn1-c1cccc(F)c1 96494217 DGJAQAFQHNKGKR-UHFFFAOYSA-N 301.321 3.017 0 40 DGAB CCc1ccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)cc1 76057835 MXTPKQDZTBAJJU-QAPCUYQASA-N 302.462 3.232 0 40 DGAB C[C@@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 9883160 STJUAUCOPHMREW-SECBINFHSA-N 301.296 3.332 0 40 DGAB Cn1c(COC(=O)Cc2noc3ccccc23)nc2ccccc21 96999052 XDUVCNUSFBUHAJ-UHFFFAOYSA-N 321.336 3.000 0 40 DGAB Cc1ccc([C@@H]2CCCCCN2C(=O)[C@H](C)n2cccn2)o1 72291600 OOWXPZXDGZPODL-GJZGRUSLSA-N 301.390 3.489 0 40 DGAB CNc1nc(CNC(=O)Nc2cccc(C)c2Cl)cs1 84219390 DKMMPKFANBDDAP-UHFFFAOYSA-N 310.810 3.468 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)Nc2ccncc2)o1 97147927 TUNZNLYVEVFUEH-CQSZACIVSA-N 301.346 3.190 0 40 DGAB CCc1nc([C@H](C)NCC(=O)N2[C@@H](C)CCC[C@@H]2C)cs1 97112249 QOZUIRBEGBRDSO-AVGNSLFASA-N 309.479 3.146 0 40 DGAB Cc1nc([C@@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)no1 72300233 CKYZSCIKXWYSFH-SNVBAGLBSA-N 312.295 3.176 0 40 DGAB C[C@H](NC(=O)N(C)[C@@H](C)CO)c1cc(F)c(Cl)cc1Cl 97230483 CTTSBAZLRLAUKQ-YUMQZZPRSA-N 323.195 3.216 0 40 DGAB Cc1noc(C)c1Cc1nnc2sc(-c3ccccc3)nn12 72403821 OWTOZUQPCSPKDJ-UHFFFAOYSA-N 311.370 3.048 0 40 DGAB CCSc1cccc(NC(=O)N[C@H]2CCc3[nH]ncc3C2)c1 95440658 DNMHYEGJTJECSB-ZDUSSCGKSA-N 316.430 3.201 0 40 DGAB CCN(Cc1csc(COC)n1)Cc1cccc2c1OCO2 95404846 YVXISXVLXZDQRG-UHFFFAOYSA-N 320.414 3.040 0 40 DGAB Cc1nc2c3ccccc3nc(N[C@@H](C)Cc3ccoc3)n2n1 84929557 BSMJGLVTFGSZPB-NSHDSACASA-N 307.357 3.222 0 40 DGAB CCn1nc(C)cc1C(=O)N1C[C@H](C)Sc2ccccc21 88222989 YTPKISDXDXERLZ-LBPRGKRZSA-N 301.415 3.352 0 40 DGAB O=C(c1csc(-c2cc3ccccc3o2)n1)N1CCOCC1 95957307 NAUSBSARTDZMKH-UHFFFAOYSA-N 314.366 3.029 0 40 DGAB CCOC[C@@H]1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1 95973001 JNURXHVPUFCFFJ-CQSZACIVSA-N 321.465 3.173 0 40 DGAB C[C@H](Cc1ccsc1)NCC1(N2CCCCC2)CCOCC1 89594786 RKXTYTMWEAVVBD-MRXNPFEDSA-N 322.518 3.304 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3ccccc3F)C2=O)c1 409236500 SJYXVLUEOYPSCW-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB CC(C)C[C@@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1ccccc1 129339866 UBCBQQPXDJUDFE-SJLPKXTDSA-N 317.477 3.367 0 40 DGAB COc1cccc(NC(=O)[C@@H](SCCO)c2ccccc2)c1 33045862 VFPHSDAHVDDPOP-INIZCTEOSA-N 317.410 3.101 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)c2cnc(C)s2)cc1OC 79309605 YIADOSXKRGFKCD-MRVPVSSYSA-N 324.377 3.099 0 40 DGAB CN1CCC[C@H](c2cncc(NCc3cccc(F)c3)n2)C1 72365085 CYCYJDNIBGFDCU-AWEZNQCLSA-N 300.381 3.037 0 40 DGAB CC(=O)N(C)c1cccc(NC(=O)NCc2ccccc2F)c1 72596395 OPFQMLKZPIELIQ-UHFFFAOYSA-N 315.348 3.130 0 40 DGAB CCCCc1noc(C2CCN(C(=O)c3ccco3)CC2)n1 41121915 OMCMOOBOOCPQPR-UHFFFAOYSA-N 303.362 3.025 0 40 DGAB Cc1cccc(-c2cccc(CNC(=O)C3CCNCC3)c2)c1 225463078 DFSRTJMLEXDBSQ-UHFFFAOYSA-N 308.425 3.278 0 40 DGAB C[C@H]1C[C@H](C)CN(c2ccc(NC(=S)NC3CC3)cn2)C1 224031518 JAONIIWDDHDRTB-RYUDHWBXSA-N 304.463 3.013 0 40 DGAB CN(CC(=O)Nc1cccc(OC(F)F)c1)Cc1ccccc1 48309350 RDCPBMOGWFUDRJ-UHFFFAOYSA-N 320.339 3.359 0 40 DGAB COC(=O)c1cn(C(=O)c2ccccc2OC)c2ccccc12 222572361 ZQSXTDGVRYQSSK-UHFFFAOYSA-N 309.321 3.125 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(F)c(C)c1 41091248 BWYZBAUIHXYBLU-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CCc1nc(Nc2ccccc2OC)c2c(n1)c(C)nn2CC 226688200 JPRQFIAGRVBELP-UHFFFAOYSA-N 311.389 3.469 0 40 DGAB COc1ccc(CNC(=S)Nc2ccc(Cl)cn2)cc1 223924717 BDMSJJATELZGDK-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccco1 96109822 CZSKPKUFUGNAEX-CQSZACIVSA-N 324.384 3.027 0 40 DGAB COc1ccc([C@@](C)(O)[C@@H]2CCCN2C(=O)C=C2CCC2)cc1 583616015 CDGQIAWUMJSJQT-PKOBYXMFSA-N 315.413 3.004 0 40 DGAB Cc1nc2ccc(N(C)C(=O)c3ccncc3Cl)cc2[nH]1 95430411 YVYZRGJIWFYFHC-UHFFFAOYSA-N 300.749 3.196 0 40 DGAB CCn1ncc2c1CN(Cc1ccc(C)s1)C[C@H]2COC 96044562 VJUJUDQRFJJAKU-ZDUSSCGKSA-N 305.447 3.019 0 40 DGAB c1cncc(-c2ncnc3c2CCN(Cc2ccsc2)CC3)c1 96255308 ISMJBOWBIIPNFD-UHFFFAOYSA-N 322.437 3.201 0 40 DGAB CC(=O)c1c(F)cccc1NCC[S@](=O)Cc1ccccc1 96408671 WZHNNLXYYKSAFS-JOCHJYFZSA-N 319.401 3.389 0 40 DGAB Cc1cc(NC(=O)c2cnn(CC(C)C)c2C)n(C(C)(C)C)n1 584908299 UVNFELPNWJGNFG-UHFFFAOYSA-N 317.437 3.360 0 40 DGAB O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)c1cncnc1C1CC1 585140729 LQVKUYMIKCCJCQ-CTYIDZIISA-N 311.360 3.169 0 40 DGAB CCCn1ccc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)n1 257279958 OIXCDUPXRUECQY-CYBMUJFWSA-N 318.446 3.078 0 40 DGAB CNc1cccc([C@H]2CN(Cc3sccc3C)CCO2)n1 257240628 HUJYUFYSWIETPT-CQSZACIVSA-N 303.431 3.067 0 40 DGAB CCn1nccc1-c1cc(C2CCN(C(C)C)CC2)nc(C)n1 257285778 PIVUSBBPYMEUBZ-UHFFFAOYSA-N 313.449 3.256 0 40 DGAB CCOC(=O)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260658753 COUQADFBBDPWTB-SLEUVZQESA-N 318.442 3.338 0 40 DGAB Cc1cncc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)c1 585284743 HHWXKAIHRHLKSY-MAUKXSAKSA-N 302.418 3.200 0 40 DGAB Fc1cccc(Cl)c1CN1CC(c2nc(C3CC3)no2)C1 70637014 OGLACMPMCHXJPB-UHFFFAOYSA-N 307.756 3.339 0 40 DGAB Cc1cc(C[C@H](C)NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 89599208 DUWSQKBNNULSFZ-VIFPVBQESA-N 316.792 3.214 0 40 DGAB O=C(O)CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1 170308220 PNVSEYHLGRMPPJ-UHFFFAOYSA-N 303.745 3.067 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Br)c(Cl)c1 1083806280 CVNGMMJQYDYSGZ-ZANVPECISA-N 318.642 3.006 0 40 DGAB O=C1OC(/C=C\c2ccccc2)=N/C1=C\c1ccc2c(c1)OCO2 6060336 RSFMSMNQXDGDAA-NKZUWPRXSA-N 319.316 3.425 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Oc1cccc(C(F)(F)F)c1 16092454 GRYFVXTUNWKWOG-UHFFFAOYSA-N 321.276 3.078 0 40 DGAB c1ccc(-c2cc3ncccc3c(NC[C@@H]3CCCO3)n2)nc1 19402592 KKWMFCZRIFPJOM-ZDUSSCGKSA-N 306.369 3.283 0 40 DGAB CN(C)C[C@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 19582091 HCGIVETWDNALSU-KRWDZBQOSA-N 314.404 3.151 0 40 DGAB O=C(Cn1ccs/c1=N\C(=O)c1ccccc1)c1ccccc1 150183200 RUEVLJBUXSXCDF-HNENSFHCSA-N 322.389 3.174 0 40 DGAB O=C(NCCOc1ccccc1)c1ccccc1Br 16009504 RRCDJGYXWLZESG-UHFFFAOYSA-N 320.186 3.258 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888869545 SKVVROIXUSZEIR-RYUDHWBXSA-N 322.811 3.035 0 40 DGAB O=S(=O)(NC1CCCCC1)c1cccc(C(F)(F)F)c1 13070645 APPCEWAZYRBOEM-UHFFFAOYSA-N 307.337 3.316 0 40 DGAB COc1c(C)cccc1C(=O)Nc1ccc(Br)cn1 1439790 CCYLITGFKVAETE-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CC(C)c1nccn1CC1CN(C(=O)Nc2ccccc2F)C1 1889981606 PCVCAPDABWTZSX-UHFFFAOYSA-N 316.380 3.310 0 40 DGAB FC(F)(F)c1ccc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)cn1 2298042590 VEIOMQHMCRWJRE-VXGBXAGGSA-N 311.351 3.021 0 40 DGAB COCCOc1ccc(N(C)C(=O)c2ccncc2Cl)cc1 73077959 XYNUZPQXSJFMTG-UHFFFAOYSA-N 320.776 3.037 0 40 DGAB Cc1nc(NCc2ccccc2)sc1C(=O)NCC(C)C 40284206 HVBLKLLVLPPPST-UHFFFAOYSA-N 303.431 3.449 0 40 DGAB CC1CCN(CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1 7459904 CHUCHAJWXAQPLB-INIZCTEOSA-N 314.473 3.475 0 40 DGAB Cc1ccc(NC(=O)NC(=O)CN(C)c2ccccc2)c(C)c1 7589475 QZNLSIVNXFUCFX-UHFFFAOYSA-N 311.385 3.088 0 40 DGAB c1ccc2c(N3CCOCC3)nc(NC3CCCCC3)nc2c1 4186311 BRDFKDAPOBQCMG-UHFFFAOYSA-N 312.417 3.211 0 40 DGAB CCCC(=O)N(CCOC)c1nnc(-c2ccc(F)cc2)s1 4880321 SCBXHEVUPWSNNL-UHFFFAOYSA-N 323.393 3.124 0 40 DGAB C[C@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 300483 HBHDQNPFGNFTOS-WMLDXEAASA-N 304.409 3.162 0 40 DGAB O=C(O)CCSCc1ccc(CSCCC(=O)O)cc1 6221549 FYFLBAHOWFMEOA-UHFFFAOYSA-N 314.428 3.102 0 40 DGAB O=S(=O)(Nc1c(F)cccc1F)c1cccc(Cl)c1 7405352 LELQWDXBEWQTDZ-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB C[C@@H]1SCCN(C(=O)c2csc(-c3ccoc3)n2)[C@@H]1C 71911099 NAVKGFANBGAHIZ-ZJUUUORDSA-N 308.428 3.369 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)cc1 101275810 QMMJUMAVPDTYHX-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB Cc1nn2c3c(nnc2c1-c1cccc(Cl)c1)C(=O)CCC3 10156905 OAJDZVIAWIHAOS-UHFFFAOYSA-N 312.760 3.272 0 40 DGAB Cc1nnc(COC(=O)c2ccc(-c3ccc(O)cc3)cc2)o1 32910707 JDVAMWYNXPTJEY-UHFFFAOYSA-N 310.309 3.108 0 40 DGAB CC(=O)Nc1ccc(O[C@H](C)C(=O)N2CCc3ccccc32)cc1 32910834 NCSZNUIGAPXKAX-CYBMUJFWSA-N 324.380 3.002 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 528095 FJFKHXSUEFNERA-HOTGVXAUSA-N 323.375 3.454 0 40 DGAB COc1cc(C(=O)Nc2ccc(C)cn2)ccc1OC(F)F 9220579 CFXHGROGJWZDTP-UHFFFAOYSA-N 308.284 3.252 0 40 DGAB Cc1cc(C)cc(C(=O)NCC(=O)NCCC2=CCCCC2)c1 22651369 FZMIJVQJGQGJET-UHFFFAOYSA-N 314.429 3.040 0 40 DGAB Cc1ccc(C(=O)NCC(=O)NCCC2=CCCCC2)cc1C 22651446 LGEFTICROVCRBH-UHFFFAOYSA-N 314.429 3.040 0 40 DGAB C[C@H]1CC(=O)c2cn3nc(SCc4ccccc4)nc3nc2C1 20632279 SBXDIHTXBVFGKB-LLVKDONJSA-N 324.409 3.182 0 40 DGAB CO[C@](C)(C(=O)Nc1cnn(-c2ccccc2)c1)c1ccccc1 106635369 WWJFBTUCTDGAMP-IBGZPJMESA-N 321.380 3.373 0 40 DGAB CCOC(=O)c1sc2nccc(OC)c2c1-n1cccc1 1403449 SORCSHAYVRENNH-UHFFFAOYSA-N 302.355 3.272 0 40 DGAB C[C@H](COc1ccccc1)NC(=O)Cc1ccccc1Cl 55729927 CCYIXHPIMMLDIO-CYBMUJFWSA-N 303.789 3.466 0 40 DGAB CC(=O)C1(O)[C@@H]2c3ccccc3[C@@H]1c1c(F)c(F)c(F)c(F)c12 101050755 MCHIODWBMPJXOS-VXGBXAGGSA-N 322.257 3.154 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2nc(C3CC3)cs2)c1 26050385 JKHZZGPPSUOGFI-UHFFFAOYSA-N 316.382 3.241 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCCO1 26401347 AHTCBYUTCACEDS-YPMHNXCESA-N 319.430 3.005 0 40 DGAB CCCN(CC(F)(F)F)C(=O)c1ccc(NC2CC2)nc1 58271866 BXGBWXHUVIFPNS-UHFFFAOYSA-N 301.312 3.070 0 40 DGAB CC1(C)Cc2cccc(OCCNc3cncc(Cl)n3)c2O1 58363029 VERDFGBCXOCZGQ-UHFFFAOYSA-N 319.792 3.334 0 40 DGAB CCOc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 10507766 NKEGEXNZHJMZTA-UHFFFAOYSA-N 301.390 3.007 0 40 DGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc(C(C)C)cc2)on1 10998858 UGKXJLAVJVYGHF-LBPRGKRZSA-N 316.357 3.290 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2ccccc2Cl)c1 3332643 AVQGFJHPRKYWCZ-UHFFFAOYSA-N 318.804 3.419 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Nc2ccccc2F)cc1 3343860 JYKDGFXYPBJNNL-LLVKDONJSA-N 300.333 3.467 0 40 DGAB Cn1cc(C(=O)Nc2ccc(F)c(F)c2)c(-c2cccnc2)n1 48374901 IFGBZPLMPCMIDN-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB C[C@H](C1CC1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12977902 VLYDSRGLOPZZMX-CYBMUJFWSA-N 309.413 3.232 0 40 DGAB CC(C)CCNc1nc(-c2ccc(O)c(C(N)=O)c2)cs1 7718923 OSBIYCIMUSRPHG-UHFFFAOYSA-N 305.403 3.073 0 40 DGAB COc1cc(OC)c(C(=O)Nc2cc(F)ccc2C)cc1OC 3566420 FPXCKMBHQSWVRS-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB CN(C(=O)OC(C)(C)C)[C@@H](C(=O)O)C(C)(C)c1ccccc1 38265800 ZWQAFCGLXUTMKH-ZDUSSCGKSA-N 307.390 3.284 0 40 DGAB Cc1ccc(-c2noc(CN(C)Cc3cccc(O)c3)n2)cc1 80924373 GUYWOLZJHWUSFL-UHFFFAOYSA-N 309.369 3.383 0 40 DGAB C[C@@](CO)(NC(=O)Nc1cccc2cccnc12)c1ccccc1 69620407 KOWCPYMNRKQREA-IBGZPJMESA-N 321.380 3.264 0 40 DGAB CC(=O)c1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)cc1 13253204 FYRWPAZMBVDRBO-INIZCTEOSA-N 311.337 3.086 0 40 DGAB O=C1C(Cl)=C(Cl)C(=O)N1c1ccc(C(F)(F)F)cc1 64645704 SGFVPNZYYLHQLB-UHFFFAOYSA-N 310.058 3.268 0 40 DGAB O=c1cc(-c2c(O)ccc3ccccc23)nc2n1CCCCC2 16769085 NZDCQNZQQCDVTI-UHFFFAOYSA-N 306.365 3.496 0 40 DGAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccncc3)cc2)C1 22532166 CRBUQWQDFYQZRW-MRXNPFEDSA-N 323.440 3.244 0 40 DGAB CCOC1CCN(C(=O)Cc2c(C)[nH]c3ccc(F)cc23)CC1 65514937 DIMPNXSMBOKGLU-UHFFFAOYSA-N 318.392 3.185 0 40 DGAB COc1ccc(-c2csc3ncnc(NCCCN)c23)cc1 20322381 OHPYRTUABOLNOP-UHFFFAOYSA-N 314.414 3.128 0 40 DGAB COC(=O)c1ccoc1CSc1nnc(-c2ccccc2)o1 14201644 VZDXAMOHSUMDGQ-UHFFFAOYSA-N 316.338 3.409 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H]1CCSc2ccc(F)cc21 14247433 FIZVWJIPDUHDBU-GFCCVEGCSA-N 306.362 3.397 0 40 DGAB Cc1ccc(OC[C@H](O)CNC2C3CC4CC(C3)CC2C4)cc1 8326812 PSGHBNOSEPQIOV-ORPJZTTNSA-N 315.457 3.149 0 40 DGAB COc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@@H](C)C2)CC1 4745988 SQUUOBNSBPLQNM-HZPDHXFCSA-N 316.445 3.032 0 40 DGAB CC(C)CCCCCOc1ccc([C@]2(C)NC(=O)NC2=O)cc1 4863103 PYKIDWXJJMMIGH-SFHVURJKSA-N 318.417 3.336 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 69919649 WILIRSZTPYNSDT-GOSISDBHSA-N 323.440 3.412 0 40 DGAB CC(=O)N1C[C@H](C(=O)Nc2cc(C)cc(C)c2)Oc2ccccc21 15518777 DJFSWAYFMIBZTJ-GOSISDBHSA-N 324.380 3.056 0 40 DGAB CCN(C(=O)Nc1ccccc1SCC(N)=O)[C@@H](C)C(C)C 67664698 KAIWWCZDWBDGOF-LBPRGKRZSA-N 323.462 3.162 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)NC(C)C 67784517 NJIZXQIEUCWIQY-UHFFFAOYSA-N 304.173 3.099 0 40 DGAB CCc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1OC 8714836 DQGHLUJGAAXZLX-WFASDCNBSA-N 311.447 3.115 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@H](C(=O)NC3CC3)C2)s1 75417565 LWWQYOMRHRYXAD-WCQYABFASA-N 321.446 3.015 0 40 DGAB C[C@H]1C[C@@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 89920363 ZCVGCJCQBKGZHR-DZGCQCFKSA-N 316.474 3.482 0 40 DGAB COc1ccc2nc(C(=O)N(CC(F)(F)F)C3CC3)ccc2c1 83970177 DVPCNYOEJIXPIL-UHFFFAOYSA-N 324.302 3.410 0 40 DGAB Cc1ccc(F)cc1NC(=O)c1cc(Br)cn1C 9154039 PVQIEESUOBAUPT-UHFFFAOYSA-N 311.154 3.487 0 40 DGAB CCOc1ccccc1C1CCN(C(=O)c2cc(C)n[nH]2)CC1 71841973 RETXHQSCQOCXGO-UHFFFAOYSA-N 313.401 3.137 0 40 DGAB CCS(=O)(=O)Nc1ccccc1CN(C)C1CCCCC1 72268473 OOAUJWIGGRNADT-UHFFFAOYSA-N 310.463 3.213 0 40 DGAB CC(C)[C@H](NC(=O)c1ccsc1)c1ccc2[nH]c(=O)oc2c1 72283794 JPFRFYNAWTUPQT-AWEZNQCLSA-N 316.382 3.310 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)Nc2c(C)n[nH]c2C)cc1 76959210 VPFPQIQWZKJPPL-LLVKDONJSA-N 305.403 3.154 0 40 DGAB CSCC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 72285683 LHTWYNDXRZBCAU-MRXNPFEDSA-N 300.427 3.153 0 40 DGAB COc1ccccc1COC1CCN(Cc2ccco2)CC1 97051526 KURVMJUTEDJLQA-UHFFFAOYSA-N 301.386 3.469 0 40 DGAB Cn1ccnc1-c1nnc(NC(=O)[C@H]2CCCC(C)(C)C2)s1 97021666 BMRKSRULUPWHMP-JTQLQIEISA-N 319.434 3.094 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@@H](CO)c1ccccc1 97232919 FEFFRCKAJUDARI-KFWWJZLASA-N 301.411 3.010 0 40 DGAB COCc1ccc(CNC(=O)[C@H](C)c2cccs2)cc1F 95399279 XJAUQCWRJVXJEF-LLVKDONJSA-N 307.390 3.454 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n[nH]1 78902062 JIUULTZLEPRMFM-SFHVURJKSA-N 323.440 3.156 0 40 DGAB CN1CC[C@@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 95437870 VWZROAWNMDUTLY-CABCVRRESA-N 322.767 3.247 0 40 DGAB COc1ccccc1[C@H]1CCCN1C(=O)CC1(O)CCCCC1 73334477 HKQPLCDEVHJBON-MRXNPFEDSA-N 317.429 3.444 0 40 DGAB Cc1cnc(CN2CCN(c3ccc(F)cc3Cl)CC2)o1 95975551 VENRYVRNSGHLBJ-UHFFFAOYSA-N 309.772 3.098 0 40 DGAB CC(C)N(C[C@H]1C[C@@H]1C)S(=O)(=O)c1cc(F)cc(F)c1 95961890 LFKJHTDHWIJITB-WDEREUQCSA-N 303.374 3.020 0 40 DGAB CCOC(=O)N1CCC(N[C@@H](CC)c2nc(C)cs2)CC1 89152195 VXBRAMRLCGSNRL-ZDUSSCGKSA-N 311.451 3.113 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CC2CCCC2)n1 75129578 UIESQXSTCSTBBA-KRWDZBQOSA-N 303.450 3.461 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)NCCOc1ccccc1 25643228 CBZRPFVBEHPPLE-AWEZNQCLSA-N 301.411 3.362 0 40 DGAB CC(C)(C)OC(=O)NCC(=O)Nc1ccc(C(F)(F)F)cc1 67140812 GANYQTBTOKBARP-UHFFFAOYSA-N 318.295 3.169 0 40 DGAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccccc1F 32070469 RQEUKIALSIXIQQ-UHFFFAOYSA-N 301.346 3.254 0 40 DGAB Cc1csc(NC(=O)c2cc(-c3cccs3)nn2C)n1 79494953 CIUVRPCLPLWVFI-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB Oc1cc(-c2cccc(F)c2)nc2cc(-c3ccccn3)nn12 72391317 BNJBWBUOLIUAIV-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2N)cc1Br 38073919 SGUNWQNVHHGGIV-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB O=C(CCCc1nnc2ccccn12)Nc1ccc2[nH]ccc2c1 72402189 KBSLEKZSXKXZJI-UHFFFAOYSA-N 319.368 3.172 0 40 DGAB CCc1cc(N2CC=CCC2)n2nc3nc(C)cc(C)c3c2n1 72347825 SKJIZDDCLPLTPF-UHFFFAOYSA-N 307.401 3.223 0 40 DGAB Cc1cc(NCc2ncc(-c3cccs3)o2)ccc1C(N)=O 72912310 IOPZPZXGUNLKIY-UHFFFAOYSA-N 313.382 3.423 0 40 DGAB COc1ccccc1C(=O)OC[C@@H]1CCCN2CCCC[C@@H]12 13424991 AXUGOKFRYJOWGL-HOCLYGCPSA-N 303.402 3.117 0 40 DGAB biogenic Cc1cnc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)s1 185027678 QBDBEIMPLDORHO-LBPRGKRZSA-N 303.431 3.004 0 40 DGAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccsc1 40122081 VJEWNWCXHYMKMW-UHFFFAOYSA-N 315.442 3.454 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1Oc1ccccc1)n1cncn1 79039992 AZIGRHGHMFXSBJ-CQSZACIVSA-N 322.368 3.294 0 40 DGAB CC(=O)N(C)c1cccc(NC(=O)NCc2ccsc2)c1 72596433 RMHGKPBJPXHIOG-UHFFFAOYSA-N 303.387 3.053 0 40 DGAB CCOc1cc(C(=O)Nc2cccc(C)n2)nn1-c1ccccc1 72265217 YGVHOSSYEUFHBM-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1C 222973409 MMPZDMZUONYOIN-CVEARBPZSA-N 314.458 3.193 0 40 DGAB COc1ccc(OC)c(C[C@@H](Sc2ccccc2)C(=O)O)c1 225116053 HDDOHCASTVINNR-MRXNPFEDSA-N 318.394 3.492 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cnc(C(C)C)nc2C)c1 222574346 GQMUBUURDWWRFN-UHFFFAOYSA-N 312.373 3.119 0 40 DGAB CC[C@@H](CNC(=O)N1C[C@@H](C)[C@H](CO)C1)c1ccc(Cl)cc1 225626369 QSXAXUDYFRGBIR-IPYPFGDCSA-N 324.852 3.103 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@@H](c1ccco1)N1CCCCC1 40160815 VOJQHFZOBPGTAR-FDMDGMSGSA-N 314.385 3.229 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)(C)C 222821893 QOGPRBLHDJAYSI-LBPRGKRZSA-N 324.852 3.382 0 40 DGAB CCCOC1(C(=O)Nc2ccc(OCCOC)cc2)CCCC1 225655324 DBDSEIZAOPFVEW-UHFFFAOYSA-N 321.417 3.390 0 40 DGAB CN(C)CCNc1cc(Br)cc(C(F)(F)F)c1 88188213 NXJCOXGMGAEDOL-UHFFFAOYSA-N 311.145 3.441 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1 224577652 CUIOJYVDFXSQQX-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB C[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)c1ccc2ccccc2c1 230472283 JNWZLSVVTQGOIG-IYOUNJFTSA-N 312.413 3.361 0 40 DGAB CNC(=O)c1cccc(CCNc2cccc(F)c2C(C)=O)c1 96419461 LEYWMPFZNUJYPQ-UHFFFAOYSA-N 314.360 3.043 0 40 DGAB c1coc(CN2CCC3(CC2)C[C@@H](OCC2CCC2)CO3)c1 96207064 QFJNBRDTAJTAAW-QGZVFWFLSA-N 305.418 3.220 0 40 DGAB O[C@@H]1CCCC[C@H]1CCCNc1nnc(C(F)(F)F)s1 97099695 DPBLDDRGVUDWHK-DTWKUNHWSA-N 309.357 3.300 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@H](O)c1cc2ccccc2s1 96466487 ZXGGECWHZJIVMZ-ZDUSSCGKSA-N 300.383 3.001 0 40 DGAB COc1cccc([C@@H](N)c2nc(-c3cccc(Cl)c3)n[nH]2)c1 95533521 MQMQBGMVPDXSQZ-CQSZACIVSA-N 314.776 3.182 0 40 DGAB COc1ccc(CC(=O)c2cc(OC)c(OC)c(OC)c2)cc1 90547570 RYHLMQGPIHTNCA-UHFFFAOYSA-N 316.353 3.146 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccnc2)cc1 96446738 JYMQWVWRNAVEDX-KDOFPFPSSA-N 310.397 3.495 0 40 DGAB Cc1csc([C@H]2C[C@H]3CN(C(=O)c4ccco4)CC[C@@H]3O2)n1 96070567 SXKADIGGBGILMO-SGMGOOAPSA-N 318.398 3.037 0 40 DGAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cscn2)ccn1 257232903 GMYDWLCIEFUFRS-AWEZNQCLSA-N 301.415 3.084 0 40 DGAB Cc1nnsc1NC(=O)Nc1ccc(Br)cc1 256055498 IZQVBBGGHDXFQN-UHFFFAOYSA-N 313.180 3.253 0 40 DGAB Cc1cc(NC(=O)N[C@H](CCCO)c2ccccc2)sn1 584907679 YPVLBZDWKSNQTO-CYBMUJFWSA-N 305.403 3.087 0 40 DGAB C[C@@]1(c2ccccc2)CN(C(=O)c2cc(C(F)F)on2)CCO1 585132406 VVDQZPBRXDIXKJ-INIZCTEOSA-N 322.311 3.000 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCCC[C@@H]1c1ccn[nH]1 257215849 CRXXLWMMPOKHMN-GOSISDBHSA-N 324.428 3.377 0 40 DGAB COc1ccc(CC(=O)NC(C)(C)c2ccc(C)nc2)cc1F 390833414 HEDQEDYXJLHZKK-UHFFFAOYSA-N 316.376 3.132 0 40 DGAB Cc1sc2ncnc(SCc3ncnn3CCF)c2c1C 390835117 DBOJIOSQWBJXJT-UHFFFAOYSA-N 323.422 3.161 0 40 DGAB CC(C)NC(=O)N1CCCC[C@H]1c1nc(-c2ccccc2)no1 65562402 FZJUMFGXSQEOER-AWEZNQCLSA-N 314.389 3.382 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)NCc2cnc(C)s2)cc1 96419252 YGPQARQAHOPCNX-SNVBAGLBSA-N 322.455 3.257 0 40 DGAB CCCNC(=O)CSCc1ccc(Br)cc1 97528447 YCIBWRDLNHKDOW-UHFFFAOYSA-N 302.237 3.209 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CC(c3cccc(OC)c3)=NO2)cc1 5029352 FDYYKXCLEYFRNL-SFHVURJKSA-N 324.380 3.389 0 40 DGAB CCN1C(=O)C(C)(C)Oc2cc(C)c(C(=O)c3ccco3)cc21 12275133 PGNKKFVYKFBFAL-UHFFFAOYSA-N 313.353 3.343 0 40 DGAB Cc1ccccc1CCN[C@@H](c1cccc(F)c1)P(=O)(O)O 12949450 GSBWMRDNCLQWQI-MRXNPFEDSA-N 323.304 3.143 0 40 DGAB CCCOc1ccc(S(=O)(=O)NCc2cccs2)cc1 16807803 VOEQCAGKBGIHTO-UHFFFAOYSA-N 311.428 3.015 0 40 DGAB CCNC(=O)[C@@H]1Cc2ccccc2N1C(=O)CCC1CCCC1 10256006 IZLNKZCRYLOPQM-KRWDZBQOSA-N 314.429 3.051 0 40 DGAB O=C(c1cnc[nH]1)N1CCC[C@H](Cc2cnc3ccccc3c2)C1 1848355504 FXAXVMOIPLRTST-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cc1csc(CNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)n1 24683643 PUPHSKBZLNXQAC-UHFFFAOYSA-N 317.389 3.239 0 40 DGAB Cc1csc(NC(=O)CN2CCC[C@H]2c2cccs2)n1 32836177 ARJDNDLFFYDDFH-NSHDSACASA-N 307.444 3.289 0 40 DGAB COc1cccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)c1 471016056 BMMRQWVVLNAWBY-BGYRXZFFSA-N 322.452 3.259 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1cc2c([nH]c1=O)CCCC2 1429996 LUANIKSKIFLALG-UHFFFAOYSA-N 302.761 3.159 0 40 DGAB CCC(=O)N(C[C@@H]1CCCO1)c1nc2cc(OC)ccc2s1 11055655 AKDCXIFXVHUTEF-LBPRGKRZSA-N 320.414 3.227 0 40 DGAB O=C(Nc1ccc(SCc2ccncc2)nn1)c1ccco1 11696696 JMZRGDGTNGSHPV-UHFFFAOYSA-N 312.354 3.009 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 22766859 SKXCHUCDPPPRDB-CQSZACIVSA-N 307.394 3.312 0 40 DGAB CCc1cnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 1775972463 HHPZOHSIQSAEFZ-UHFFFAOYSA-N 319.412 3.327 0 40 DGAB C[C@H](NC[C@@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 4263204 BPKGMOLMHLPQOF-HNAYVOBHSA-N 311.425 3.266 0 40 DGAB C[C@H]1C=CCC[C@H]1COC(=O)C(=O)OC[C@@H]1CC=CC[C@@H]1C 4933498 RNKIHWNYGOGDOP-VGWMRTNUSA-N 306.402 3.277 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cc(F)cc(F)c1)S[C@H](C)C(=O)N2 6678401 NVSAFTNDXQICEY-KRTXAFLBSA-N 309.341 3.160 0 40 DGAB c1ccc(-n2ncc3c(NCc4cccs4)ncnc32)cc1 426456 RBILQSCYUFMHCR-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB COc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 32911527 JQECWGINXMGUTC-SFHVURJKSA-N 324.424 3.090 0 40 DGAB CCc1ccc(CNC(=O)Cc2ccc(OC)c(OC)c2)s1 32930294 MKPJJRSSYHEBLP-UHFFFAOYSA-N 319.426 3.187 0 40 DGAB O=C(NCCC1CCCCC1)c1cn(Cc2ccccc2)nn1 33121526 FQTXMHNUVHBQJS-UHFFFAOYSA-N 312.417 3.027 0 40 DGAB Cc1ccc2[nH]c3c(=O)n(CCc4ccc(O)cc4)cnc3c2c1 525802 QWEXOTMSVJOUQA-UHFFFAOYSA-N 319.364 3.135 0 40 DGAB biogenic COc1cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)ccc1C 22193279 VTSVOIHXRIAWFJ-UHFFFAOYSA-N 324.380 3.148 0 40 DGAB CON(C)C(=O)c1cccnc1Sc1ccc(C)c(C)c1 25715093 CESUBWFHMGANLS-UHFFFAOYSA-N 302.399 3.483 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 101276580 YNOMKAOUHXWRSQ-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB CCCCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)C=C(C)C 22885575 AVNWKNBZDQXKKY-UHFFFAOYSA-N 313.401 3.018 0 40 DGAB Cc1cccc(OCCNC(=O)COc2ccc(Cl)cc2)c1 21769542 JSBOELSNHSQGLP-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccccc1O)CC3 25543191 SOIXOGWSJUTJJU-UHFFFAOYSA-N 306.365 3.380 0 40 DGAB CSCCc1ccc(NC(=O)N[C@H](C)[C@H]2CCCO2)cc1 69685315 MTHJTJZJUAMKLV-IUODEOHRSA-N 308.447 3.281 0 40 DGAB CC[C@@H](NC(=O)NCCCCCC(=O)OC)c1cccs1 57242301 BATFQLKPKVOACV-GFCCVEGCSA-N 312.435 3.232 0 40 DGAB CC(C)(C)Sc1ccc(NC(=O)NCC(C)(C)C(N)=O)cc1 69656816 KIPUUJLVSKVINY-UHFFFAOYSA-N 323.462 3.210 0 40 DGAB O=C(COc1ncnc2ccccc12)NC1CCCCCCC1 3291582 QCRNEPREAIETOQ-UHFFFAOYSA-N 313.401 3.238 0 40 DGAB O[C@@H](CNc1ccc(Cl)cn1)COc1ccccc1Cl 35671995 GHARKQPDFUPUNI-NSHDSACASA-N 313.184 3.240 0 40 DGAB CC(C)c1cc(NC(=O)[C@H]2CC=CCC2)n(-c2ncccn2)n1 108732593 LTPAXLFOOVMWCO-ZDUSSCGKSA-N 311.389 3.081 0 40 DGAB O=C(CC[S@](=O)Cc1cccc(F)c1)Nc1ccccc1 58098675 XLISFCPXOUUKFI-OAQYLSRUSA-N 305.374 3.103 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccccc2Cl)CC1 44869613 VZHOCSPOUAQUDM-UHFFFAOYSA-N 308.853 3.263 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccccc1Cl 3323015 CCOHGXVJEHIVEJ-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB CCc1sc(C(=O)N2CCC[C@H](N3CCCC3)C2)cc1C 58919877 PLZWGDGEHCXIFY-AWEZNQCLSA-N 306.475 3.319 0 40 DGAB CCc1cccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c1 12822334 HQMGNQAHROUTKM-OAHLLOKOSA-N 308.381 3.241 0 40 DGAB CCc1cccc(OCC(=O)Nc2ccc(OC)c(OC)c2)c1 3611646 ZKDHRJHAXVBHPM-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB COc1ccc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c(OC)c1 28246811 MCSJMEVNHGQEQC-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB OCCCN(Cc1ncc(-c2ccc(Cl)cc2)o1)C1CC1 69973373 NRIBMCFIBJAHJT-UHFFFAOYSA-N 306.793 3.342 0 40 DGAB CCCCCc1nnc(NC(=O)c2ccc3[nH]cnc3c2)s1 6505265 IYBOHPGABAVKDC-UHFFFAOYSA-N 315.402 3.399 0 40 DGAB CCOc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 113969203 PDRZBDROINJWBK-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(F)cc1 7267444 BARPXHYCWYULAD-CQSZACIVSA-N 312.388 3.235 0 40 DGAB CCN(Cc1ccccc1F)C(=O)c1ccc(-n2cnnc2)cc1 67934709 GGQKYTYOVDTPOY-UHFFFAOYSA-N 324.359 3.069 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1cc(Cl)ccc1F 7753782 GCTFDLPQDVMTEV-UHFFFAOYSA-N 307.708 3.138 0 40 DGAB Clc1ccc(NCC2(N3CCCCC3)CCOCC2)nc1 81000962 VGPSKFQRZFWKJT-UHFFFAOYSA-N 309.841 3.182 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@@H]1c1cccnc1 71847675 SGBLDMTZYODKAS-IAGOWNOFSA-N 324.424 3.331 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1cc(Cl)c2c(c1)OCO2 71804304 GNZABVAOZKBGRU-VIFPVBQESA-N 323.801 3.491 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 72299122 ZKGYROYFDCALOY-LLVKDONJSA-N 317.414 3.160 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCCC[C@H]1c1nccs1 72285899 MDZOQNUPMAFWNN-LBPRGKRZSA-N 303.387 3.376 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@@H](C)C[C@H](O)c3ccco3)c2c1 97059805 RYZXCOUCZUMCLL-LRDDRELGSA-N 312.369 3.311 0 40 DGAB Cn1cc(NC(=O)Nc2ccc(Cl)cc2OC(F)F)cn1 97141016 MVXSSKJXHSMOIU-UHFFFAOYSA-N 316.695 3.319 0 40 DGAB CCC(CC)n1ccc(C(=O)Nc2ncccc2OC(F)F)n1 89943252 SZICPEIWAKTLNX-UHFFFAOYSA-N 324.331 3.493 0 40 DGAB CC(=O)c1c(Br)cccc1I 97437874 PWAZCKZKKPSFSW-UHFFFAOYSA-N 324.943 3.256 0 40 DGAB CN(CCc1cccs1)C(=O)NC[C@@H]1CCO[C@H]1C(C)(C)C 76087635 KUSLEZHLHPANJW-DZGCQCFKSA-N 324.490 3.383 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2o1)[C@H](O)c1ccc(F)cc1 95429983 TUFQWRNRSRAHOV-GTNSWQLSSA-N 313.328 3.424 0 40 DGAB CCOCCOC(=O)c1ccccc1NC(=O)c1ccccc1 21713097 VLAFHAAKLRECCU-UHFFFAOYSA-N 313.353 3.132 0 40 DGAB c1ccc2c(c1)CN[C@H](c1ccc3c(c1)OCO3)c1cccn1-2 55028057 MRWBRCPVLMGQSD-LJQANCHMSA-N 304.349 3.399 0 40 DGAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1 33916684 SNKYSEXEVYQIGQ-CQSZACIVSA-N 311.447 3.429 0 40 DGAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)c1cc2ccccc2[nH]1 72242511 YPOBTCFZDPGKPL-INIZCTEOSA-N 306.369 3.074 0 40 DGAB CCCCOC(=O)c1ccc(Sc2nc(CC)n[nH]2)c(N)c1 70462393 HDLVGSQRWOOLAZ-UHFFFAOYSA-N 320.418 3.057 0 40 DGAB CCOc1cc(C(=O)N2CCC(C)CC2)nn1-c1ccccc1 72265219 MXMPIQNYZRJGPU-UHFFFAOYSA-N 313.401 3.143 0 40 DGAB C[C@H](NC(=O)CCc1ccccn1)c1cccc(-n2cccn2)c1 73205218 JZHCGORHVDGKCP-HNNXBMFYSA-N 320.396 3.077 0 40 DGAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCSCC[C@@H]1C 190701189 YEQJQBQHPGOPJE-KBPBESRZSA-N 322.474 3.250 0 40 DGAB CSC[C@@H](CCO)N[C@H](C)c1ccccc1Br 195540965 HUGRIPKOJPJTLL-GHMZBOCLSA-N 318.280 3.214 0 40 DGAB CSc1ccccc1[C@@H](C)NC(=O)N[C@@H](C)c1cnn(C)c1 225694500 JGLNPKJOPKXETE-NWDGAFQWSA-N 318.446 3.263 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CC 223700349 WRUDMNJXUAQIKH-QGZVFWFLSA-N 318.461 3.429 0 40 DGAB CCn1c([C@@H](NC(=O)c2ccccc2C)C(C)C)n[nH]c1=S 85400128 FINSLJSLSAUAFX-ZDUSSCGKSA-N 318.446 3.396 0 40 DGAB COc1cc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)ncn1 225183784 LKGKXLVAWROGDI-SECBINFHSA-N 322.821 3.186 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344635 AJGBCQPEMPUBKP-CABCVRRESA-N 313.328 3.339 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C)N21 222704083 JFDTUXYKYFEBFE-UHOFOFEASA-N 312.442 3.400 0 40 DGAB C[C@@H]1C[C@H]1[C@@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 195530908 YTPSAVQKARNDPK-JGFGOQIWSA-N 317.820 3.130 0 40 DGAB C[C@@H](c1cccnc1)N(C)Cc1nc(-c2cccs2)no1 96485799 GNXOLCDXQQHZDP-NSHDSACASA-N 300.387 3.386 0 40 DGAB Fc1cccc(CN2CCC(NC[C@H]3CCCS3)CC2)c1 96479267 DIMGLLSGTRECBC-QGZVFWFLSA-N 308.466 3.275 0 40 DGAB O=C(c1ccncc1)N1CCOc2ccc(C(F)(F)F)cc21 96473792 FYJUCBNUZCWJBF-UHFFFAOYSA-N 308.259 3.140 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)c(Br)c1C(=O)O 96118809 BDHLCFXIGXKVFI-UHFFFAOYSA-N 315.554 3.201 0 40 DGAB CC1(C(=O)N2C[C@H]3CC[C@H]2[C@H]2CN(Cc4ccccc4)C[C@H]32)CC1 585091460 ZFISZAHRDBUTJL-YRXWBPOGSA-N 324.468 3.156 0 40 DGAB C[C@H](Nc1ncnc2sc3c(c12)CCCC3)c1nccn1C 585099529 QILLXJMTAGMUNZ-JTQLQIEISA-N 313.430 3.477 0 40 DGAB Cc1nc(-c2nc(O)c3c4c(sc3n2)SCCC4)[nH]c1C 585137335 SWWGAMIGGQRBHA-UHFFFAOYSA-N 318.427 3.442 0 40 DGAB O=C(CC1CCCC1)N1CCC(c2ccnc3ccnn23)CC1 257232762 GMHMRTFBLDSFNB-UHFFFAOYSA-N 312.417 3.016 0 40 DGAB O=C(O)c1ccccc1-n1cc(CN2CCc3ccccc32)cn1 257296625 RDPPLEKZECWLRI-UHFFFAOYSA-N 319.364 3.133 0 40 DGAB Cc1cc(C)cc([C@@H]2CCN(C(=O)C[C@@H](C)CC(=O)O)C2)c1 577076773 KQEGFNLFKNGSPH-HUUCEWRRSA-N 303.402 3.120 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)s1 45834732 JAVJYEKQHGWIDQ-JTQLQIEISA-N 303.387 3.038 0 40 DGAB C[C@@H](NC(=O)c1ccc(C(N)=S)cc1)c1ccccc1Cl 48551151 ZBSIFKJWDJKUBD-SNVBAGLBSA-N 318.829 3.465 0 40 DGAB COC(=O)Nc1cc(NC(=O)c2cccc(F)c2)ccc1F 66489636 SFYOQUFWMVQJJZ-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB C[C@]12C=CC(=O)NC1=CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](C(=O)O)CC[C@@H]12 96031849 YUTRZIYCTWYZCF-UUBMZHIOSA-N 315.413 3.110 0 40 DGAB in-vitro O=C(Cc1ccc(Cl)cc1)NCCCN1CCCCCC1 13671000 IURDBDDATFAUMY-UHFFFAOYSA-N 308.853 3.265 0 40 DGAB Cc1ccsc1CN(CCCN(C)C)Cc1ccccn1 13990741 SIZFDVHSIMYDCX-UHFFFAOYSA-N 303.475 3.405 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1Cl 169684044 UAVBADNMGQAKFD-DEEDKQTDSA-N 313.784 3.206 0 40 DGAB Cc1c(OC(=O)[C@H](C)O)ccc2c(=O)c(-c3ccccc3)coc12 2060999752 BSRGFHGRIHALGU-LBPRGKRZSA-N 324.332 3.055 0 40 DGAB CN(C)C1CC2(CCN(C(=O)/C=C/c3cccs3)CC2)C1 1565544580 NMEUOAWVCNVPNZ-AATRIKPKSA-N 304.459 3.094 0 40 DGAB O=C(COc1ccccc1)Nc1nc2c(F)cccc2s1 4331614 ZBJDJVUELKVRDE-UHFFFAOYSA-N 302.330 3.453 0 40 DGAB Cc1ccc([C@@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 10328881 XCUHXEPOIOKXQP-LJQANCHMSA-N 310.441 3.347 0 40 DGAB Cc1cc(N2CC(n3cnc4ccccc43)C2)nc(C2CC2)n1 1775974966 YYPOLGGSSLULIG-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB Cc1ccnc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298187287 SMMOAFZHHAWLHQ-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C\c2ccccc2)C1=O 20289872 OGEMNYONPJVGCD-XFXZXTDPSA-N 319.382 3.065 0 40 DGAB Fc1cccc(-c2nnn(Cc3cccc4cccnc34)n2)c1 11506416 LNCUJFDHAUYLCF-UHFFFAOYSA-N 305.316 3.076 0 40 DGAB CCOC(=O)c1cccc(C(=O)c2ccc(CN3CCC3)cc2)c1 2514610 DYKWLQCFFUZJOZ-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](OC(=O)c2ccco2)C(C)C)cc1 1328615 QDDMANDQJFEJFY-INIZCTEOSA-N 315.369 3.086 0 40 DGAB O=C(O)c1cccc2c(-c3cnn(-c4ccccc4)c3)[nH]nc12 31992310 UEUSKCRWTWAZAL-UHFFFAOYSA-N 304.309 3.114 0 40 DGAB CN(C)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 264075 DHRKLOQADLYBMP-UHFFFAOYSA-N 321.380 3.159 0 40 DGAB Cc1cc(C)nc(NC(=O)COc2ccc(Cl)cc2C)n1 4537811 RYTMFKPUFWVRDZ-UHFFFAOYSA-N 305.765 3.073 0 40 DGAB COc1cc2ncn(C/C=C/c3ccccc3)c(=O)c2cc1OC 20763123 ZFHFDRGTHYEDDH-RMKNXTFCSA-N 322.364 3.127 0 40 DGAB biogenic CCc1ccc(-c2noc(CSc3nccn3C)n2)cc1 17528267 LVMZVURVTKTTIB-UHFFFAOYSA-N 300.387 3.325 0 40 DGAB Cc1csc(CNC(=O)c2cc(-c3cccs3)on2)n1 21483335 HRKXHKMHOMKBRE-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB Cc1ccc(OCCCC(=O)NCCCN2CCCCC2)cc1 10279932 IRNINQRLCRAHSX-UHFFFAOYSA-N 318.461 3.146 0 40 DGAB CCc1cccc(NC(=O)CSC(=S)N2CCCC2)c1 8061093 FJGHGNWGNMULHQ-UHFFFAOYSA-N 308.472 3.301 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1cc(=O)[nH]c2ccccc12 52567966 LNIDJUYBYUNXNJ-LLVKDONJSA-N 324.405 3.349 0 40 DGAB Cc1ccc(-c2c(C)sc3nc(-c4nnc[nH]4)[nH]c(=O)c23)cc1 102747987 RYRKBWLUVFMUKN-UHFFFAOYSA-N 323.381 3.054 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCN[C@@H]3c1ccccc1OC 526532 UWXBXUJBRJFVHL-GOSISDBHSA-N 308.381 3.420 0 40 DGAB biogenic CCOC(=O)Cc1csc(Nc2cc(C)ccc2OC)n1 105651858 OLGRYAJOQNYSAP-UHFFFAOYSA-N 306.387 3.309 0 40 DGAB CCn1nc(C)c2nc(C)nc(NCCc3ccc(C)cc3)c21 57312569 MZXZMLIBZVVCOU-UHFFFAOYSA-N 309.417 3.426 0 40 DGAB COc1ccc(CNCc2c(C)nn(-c3ccccc3)c2C)cn1 42088238 HATGYIHEAWISJV-UHFFFAOYSA-N 322.412 3.183 0 40 DGAB O=C(NC[C@@H]1CCOC1)N(Cc1ccco1)Cc1cccs1 47068149 LGJVIUQATOUACF-ZDUSSCGKSA-N 320.414 3.089 0 40 DGAB Cc1nn(C)cc1CNC(=O)c1cccc(Oc2ccccc2)c1 28218926 IVFUCFOHRLYRPF-UHFFFAOYSA-N 321.380 3.451 0 40 DGAB Cn1cc(CCC(=O)N2CCC[C@@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 106648461 JXRLSICZMHSJEC-DZJNRPSUSA-N 315.461 3.170 0 40 DGAB C[C@@H]1CN([C@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 21809533 SUZPBBSUTBAACQ-GPCCPHFNSA-N 303.233 3.102 0 40 DGAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 27337786 CJOCLGLFQVDCOZ-HIFRSBDPSA-N 310.397 3.107 0 40 DGAB Cc1ccc(CC(=O)Nc2cnn(Cc3ccccc3)c2)cc1 58102780 XOCHNORVSZWPNT-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB Cc1nc(C(=O)N(C)Cc2ccc(OC(F)F)cc2)cs1 58108456 FNCJECCVYICZIP-UHFFFAOYSA-N 312.341 3.325 0 40 DGAB COc1ccccc1C(=O)[C@H](CCCO)[C@H]1CCOC(C)(C)C1 2116047 RGGBBFDNXPKSLS-LSDHHAIUSA-N 320.429 3.472 0 40 DGAB biogenic CC[C@@H](C(=O)NC[C@H]1CCCN(C(C)C)C1)c1ccccc1 58264635 HIMOYBIFLOMJKH-SJLPKXTDSA-N 302.462 3.417 0 40 DGAB Cc1ccc2c(CCNC(=O)c3cccnc3S)c[nH]c2c1 58228620 YCPZWZKWYMSVSR-UHFFFAOYSA-N 311.410 3.133 0 40 DGAB CC(C)[C@H](NS(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 27961566 RHAOCIZDUXPFND-HNNXBMFYSA-N 312.479 3.077 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N1Cc2ccccc2C1 69702439 OLBNYJXDGGEORF-UHFFFAOYSA-N 320.396 3.477 0 40 DGAB Cc1cc(Nc2cccc(=O)[nH]2)n(-c2ccc(Cl)cc2)n1 2236441 UQJPORNJAKLPDA-UHFFFAOYSA-N 300.749 3.266 0 40 DGAB CCCn1c(NC(=O)c2ccc(OC)nc2)nc2ccccc21 10652877 LQCACKNLTYAMLX-UHFFFAOYSA-N 310.357 3.102 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccccc1 3313051 YOYHNSQODCGFSL-INIZCTEOSA-N 302.805 3.373 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cccc3c2ccn3C)cc1 36352693 MZAXGLGXAPOBRR-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB CC(C)Oc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 3439882 VYSCUICDXXFCDV-UHFFFAOYSA-N 318.461 3.468 0 40 DGAB Cc1nnc(NC(=O)Cc2ccc(Cl)c(Cl)c2)s1 3557779 YTYFTQVQHBLRCU-UHFFFAOYSA-N 302.186 3.335 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCOCC1 19791740 OTZHIQOGDANTHW-IBGZPJMESA-N 307.397 3.293 0 40 DGAB COc1ccc(C2(NC(=O)Nc3nncs3)CCCC2)cc1 64345480 LMCHDUCTFFHNLQ-UHFFFAOYSA-N 318.402 3.138 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C 65465527 WOPVLMDOODVFFF-GJZGRUSLSA-N 317.433 3.322 0 40 DGAB COCc1ccccc1CN1C(=O)CC2(CCCCC2)C1=O 65553981 PLNWQNPWDOXGAI-UHFFFAOYSA-N 301.386 3.042 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1cc(C)ccc1C 6707689 RXUNGTIICOJFOR-UHFFFAOYSA-N 303.383 3.307 0 40 DGAB CCn1cnc2cc(NC(=O)Oc3ccccc3)ccc2c1=O 15108829 PLYMFTXKYVPWHU-UHFFFAOYSA-N 309.325 3.027 0 40 DGAB COc1ccc(OC)c(NS(=O)(=O)c2cc(C)ccc2C)c1 7056442 KCGSGYMHGBCXHU-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB OCCn1c(CN2CCCCCCC2)nc2ccc(Cl)cc21 7486721 SCHLJIJPIULEMI-UHFFFAOYSA-N 321.852 3.448 0 40 DGAB C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccsc1 90955549 KFBBGWFVBIADJS-SWLSCSKDSA-N 304.415 3.162 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1ccc(F)cc1F 68727188 OVDMSNTXNBIKAR-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB COC(=O)c1ccc(CNc2ccc(Br)cc2)o1 26227559 FHDTYRTXCJHVMN-UHFFFAOYSA-N 310.147 3.441 0 40 DGAB COC1CCC(N(C)Cc2nnc(-c3ccc(F)cc3)o2)CC1 96443358 LULMHDREXPEDIY-UHFFFAOYSA-N 319.380 3.265 0 40 DGAB CC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@H](C)C1 89937668 VHVFHTLSFCAHDU-MLGOLLRUSA-N 302.443 3.248 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)c3sccc3C3CC3)C2)no1 72232266 LVPIMMYPTPRJCB-LBPRGKRZSA-N 317.414 3.337 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72293480 BADCEYYOZWRHTF-BHYGNILZSA-N 309.413 3.228 0 40 DGAB c1cc([C@H]2CCCN2Cc2nnc(C3CC3)n2C2CC2)ccn1 97083907 CVZJWDHPQUXWEY-MRXNPFEDSA-N 309.417 3.223 0 40 DGAB O=C(O)CC1(NC(=O)c2cccc3cc[nH]c23)CCCCC1 97002852 CLVJXIALYGJUNX-UHFFFAOYSA-N 300.358 3.075 0 40 DGAB Cc1ncsc1CNC(=O)N[C@@H]1CCCc2sccc21 97094838 VQSLDLYAEVUWGP-LLVKDONJSA-N 307.444 3.390 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@H](C)C[C@H](O)c3ccco3)c2c1 97059809 RYZXCOUCZUMCLL-WBMJQRKESA-N 312.369 3.311 0 40 DGAB Cc1ccsc1[C@H]1C[C@H]1C(=O)NCc1cccc(C(=O)O)c1 97035850 QIRDMHDXPJEURN-UONOGXRCSA-N 315.394 3.175 0 40 DGAB CCOc1ncccc1NCc1cccc(OCCOC)c1 97229180 HVHZGDCQHBNKRG-UHFFFAOYSA-N 302.374 3.118 0 40 DGAB CCCCn1nc(-c2nc(C3CC3)no2)c2ccccc2c1=O 95394431 IRIBTZMCSKOSNZ-UHFFFAOYSA-N 310.357 3.124 0 40 DGAB COCCOc1ncccc1CN[C@@H]1CCCc2ccccc21 95420363 JZXATAQZQKWYIP-GOSISDBHSA-N 312.413 3.274 0 40 DGAB CCN(C)c1ccccc1CNCc1ccc(N2CCCC2)nc1 95412239 IKQLJDKWKJXOAF-UHFFFAOYSA-N 324.472 3.428 0 40 DGAB CC(C)[C@H](O)C1(CNCc2c[nH]nc2-c2cccs2)CC1 95989209 UWADPIZYSDWFHP-HNNXBMFYSA-N 305.447 3.025 0 40 DGAB CCc1ncsc1NC(=O)N[C@@H](C)[C@H]1COc2ccccc21 89282680 ATPGMIGLBOBTHQ-CMPLNLGQSA-N 317.414 3.392 0 40 DGAB CN(C(=O)Cc1ccc(NCc2cc[nH]n2)cc1)c1ccccc1 89365445 KRCZVDMWAZIVDF-UHFFFAOYSA-N 320.396 3.227 0 40 DGAB CCn1c(CNC[C@@H]2CCCn3cc(C)nc32)nc2ccccc21 89305491 ZRPOASNAJMAYAD-HNNXBMFYSA-N 323.444 3.228 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)c2ccc(C(N)=O)cc2)C1 75143334 CXQBDXZGJJAXMR-YOEHRIQHSA-N 322.408 3.112 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1cccc(Cl)c1 67791376 NNRGMRUWLRPRBF-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB O=C1N/C(=C/c2ccsc2)C(=O)N1c1ccc(Cl)cc1 409230611 DJNTWSORDYEDRB-KPKJPENVSA-N 304.758 3.499 0 40 DGAB O[C@]1(C(F)(F)F)NN=C2/C(=C/c3ccccc3)CCCC[C@H]21 408563856 QWQLPPNAJNWOIE-ZYICGEMBSA-N 310.319 3.470 0 40 DGAB O=C(c1ccc(Cl)cc1)[C@H](NCCO)c1ccc(Cl)cc1 31911496 OCPPTXZIUZMRKT-OAHLLOKOSA-N 324.207 3.499 0 40 DGAB COc1ccc(CCCNC(=O)Cc2ccc(F)cc2)cc1 36113237 PYHRCNPDIGZELT-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cnn(C)c1 189493986 KJLJSOQFCYPYCZ-LRDDRELGSA-N 305.809 3.036 0 40 DGAB CC[C@@H](C(=O)O)[S@](=O)C(c1ccccc1)c1ccccc1 526892630 FDZGMDATCSKXHT-BTYIYWSLSA-N 302.395 3.388 0 40 DGAB CCOC(=O)N(C)c1ccc(N[C@@H](C)c2nnc(C)o2)cc1 79029780 IQXILLJRIRTAGD-JTQLQIEISA-N 304.350 3.144 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CCc2ccnc(N)c2)CC1 74941288 UZBMELGLWLHOPB-UHFFFAOYSA-N 305.422 3.244 0 40 DGAB Cc1c(C(=O)NC2(c3ccc(F)cc3)CCCC2)cnn1C 72346509 IBMTYZFWFSJTLS-UHFFFAOYSA-N 301.365 3.067 0 40 DGAB Cc1ccc(SCC(F)(F)F)c(NCC(=O)N(C)C)c1 76714096 NKMJUVHELPECPQ-UHFFFAOYSA-N 306.353 3.150 0 40 DGAB Fc1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2ccn[nH]2)cc1 72395568 TZWOJCNTBJFICE-ZWKOTPCHSA-N 322.387 3.327 0 40 DGAB O=C(O)c1csc(CN2CCC(c3ccsc3)CC2)n1 566362208 QUSSLKBKKVEPDI-UHFFFAOYSA-N 308.428 3.282 0 40 DGAB CC(C)(C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225275371 IKTFXHQJCOUIPL-UHFFFAOYSA-N 319.474 3.398 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)N[C@H](C)CC 225050849 QUXOIWZIYQVRMU-HZPDHXFCSA-N 318.461 3.427 0 40 DGAB CCCOc1ncc(NC(=O)[C@@](C)(OCC)C2CC2)cc1C 225902521 OUFMFHQPULXHSB-KRWDZBQOSA-N 306.406 3.323 0 40 DGAB NC(=O)c1ccccc1Sc1ccc(Br)cn1 48889376 MSUJEQCBRWRBJO-UHFFFAOYSA-N 309.188 3.094 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCC1=CCCCC1 224462256 KHHJNUDZFDUQFV-QGZVFWFLSA-N 303.402 3.469 0 40 DGAB COc1cccc(C(=O)[C@H](C)OC(=O)c2cccc(F)c2)c1 41125377 FFRFGDUWEDODGX-NSHDSACASA-N 302.301 3.263 0 40 DGAB CC(C)(C)[Si](C)(C)O[C@H]1CN(Cc2ccccc2)C[C@@H]1O 195957337 NOGVPOUKDSTPPU-HOTGVXAUSA-N 307.510 3.254 0 40 DGAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 96058437 NAGKLTBGSVUZON-VQTJNVASSA-N 324.424 3.044 0 40 DGAB Cn1nc(CNC(=O)Nc2ccccc2Cl)c2c1CCCC2 96099186 UGIVMTJDOGSGQJ-UHFFFAOYSA-N 318.808 3.274 0 40 DGAB CCCCSCCC(=O)Nc1cnccc1-n1ccnc1 95399742 JOVIPQKVRVOPHW-UHFFFAOYSA-N 304.419 3.129 0 40 DGAB O=C1C[C@@H](c2ccc(F)c(F)c2)c2c(ccc3nsnc23)O1 96224078 JRZQCVMILCGVSX-QMMMGPOBSA-N 318.304 3.411 0 40 DGAB CCC(CC)C(=O)N=c1nc(-c2cccnc2Cl)[nH]s1 585130469 QVZMLTDPLVTVPW-UHFFFAOYSA-N 310.810 3.050 0 40 DGAB C[C@H](CNC(=O)Cc1cccnc1Cl)Oc1cccc(F)c1 585132044 NGEBTDGWWGXBFC-LLVKDONJSA-N 322.767 3.000 0 40 DGAB CC(C)Cc1cccc([C@H](C)C(=O)NC2CCC(O)CC2)c1 252488868 JAWHMZHIGNRZRU-NNGSBXSVSA-N 303.446 3.408 0 40 DGAB CC(=O)NCc1cccc([C@H]2CCCN2C2CCCCC2)n1 257241445 HYBBTNURAWTHBO-GOSISDBHSA-N 301.434 3.187 0 40 DGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@@H]2Cc1ccccc1 257238937 HNELXXRIXTULLA-UJMXGEILSA-N 312.457 3.139 0 40 DGAB CCN1CC[C@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 257254531 KDMUBDMYVDVKBH-LBPRGKRZSA-N 303.435 3.103 0 40 DGAB Cc1ccccc1[C@@H]([C@H](C)Nc1cccc(C(=O)O)n1)N(C)C 263405770 KNLVEBBQDYHYKW-SUMWQHHRSA-N 313.401 3.192 0 40 DGAB CC(C)(C)OC(=O)N1CCC(c2ccc(CCO)cc2)CC1 616621871 YEAMWGIHRRULTN-UHFFFAOYSA-N 305.418 3.336 0 40 DGAB CO[C@@](C)(C(=O)N[C@@H](C)c1nc(C(F)(F)F)cs1)C1CC1 293178194 HIAQXVCOPARACG-JVXZTZIISA-N 322.352 3.154 0 40 DGAB COc1ccccc1[C@H](CNC(=O)Nc1cccs1)OC 96385302 WBKHJVGXGMEDOK-ZDUSSCGKSA-N 306.387 3.266 0 40 DGAB O=C(/C=C/c1ccco1)NCc1ccnc(-c2ccncc2)c1 390826794 BYCUENPWDYJHSA-ONEGZZNKSA-N 305.337 3.066 0 40 DGAB COc1ccc(CN[C@@H](C(=O)NC(C)C)c2ccccc2)cc1 56142982 STCDMCQDAQUXBO-GOSISDBHSA-N 312.413 3.051 0 40 DGAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@H]32)oc2ccc(F)cc12 53378758 KORBOTRPQDCTKX-HIFRSBDPSA-N 303.333 3.274 0 40 DGAB Cc1ccc(OC2CCN(C(=O)CCC3CCCC3)CC2)nn1 96119400 AMKDTEPADXDJIJ-UHFFFAOYSA-N 317.433 3.125 0 40 DGAB CCOC(=O)N1CCN(Cc2csc(C3CCCC3)n2)CC1 746385859 FJYVSAWITAWHEP-UHFFFAOYSA-N 323.462 3.075 0 40 DGAB c1ccc(-c2nc(CN3CCN(C4CCC4)CC3)cs2)cc1 172198961 FHOALZQIVPLCPA-UHFFFAOYSA-N 313.470 3.480 0 40 DGAB CCn1cnc2c(Nc3cc(Cl)ccc3OC)ncnc21 1250204082 AKNPDRJGMRZBFQ-UHFFFAOYSA-N 303.753 3.252 0 40 DGAB CCCSc1n[nH]c(=O)nc1Nc1ccccc1OC(C)C 11905878 KRHNTCKYVIEMRQ-UHFFFAOYSA-N 320.418 3.198 0 40 DGAB CN(CCCNC(=O)/C=C/c1ccc(F)cc1)c1ccccc1 16237922 UTEAMKLKJRZSSV-JLHYYAGUSA-N 312.388 3.482 0 40 DGAB CCCn1c(CN2CC[C@H]3NCCCC[C@H]32)nc2ccccc21 19712506 UZEBIQZWWAQLNH-NVXWUHKLSA-N 312.461 3.163 0 40 DGAB CO[C@@H](CNC(=O)CCc1cccc(Cl)c1)c1ccco1 206862501 SHRXKEZBGZNFQA-HNNXBMFYSA-N 307.777 3.370 0 40 DGAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O 4515326 YKPWFAVCIRGJGH-QLJPJBMISA-N 324.783 3.480 0 40 DGAB CN(c1ccccn1)C1CCN(Cc2cc(F)cc(F)c2)CC1 1889130311 FNEAJHIBAAVBGB-UHFFFAOYSA-N 317.383 3.461 0 40 DGAB C[C@H]1CN(C(C)(C)CNc2nc3ccccc3o2)C[C@@H](C)O1 26083214 XZDURZQMXQKFNW-BETUJISGSA-N 303.406 3.128 0 40 DGAB CCOc1cc([C@@H]2NC(=O)c3cccc(C)c3N2)ccc1OC 27577739 SKMCEFFHGPLYEX-KRWDZBQOSA-N 312.369 3.256 0 40 DGAB O=C(Nc1ccc(SCc2ccccn2)nn1)c1ccccc1 11696663 VSCNDTUBBWCAMP-UHFFFAOYSA-N 322.393 3.416 0 40 DGAB C[C@H]1Cc2[nH]c(=S)n(CCc3ccccc3)c(=O)c2S1 26421970 YQZCLBMVHPCVIK-JTQLQIEISA-N 304.440 3.185 0 40 DGAB Cc1ccccc1NC(=O)N[C@H]1CCN(Cc2ccsc2)C1 585150078 YMXXAYHJYDMZGQ-HNNXBMFYSA-N 315.442 3.453 0 40 DGAB COC1=CC2=CN(Cc3ccccc3)C(=O)CC[C@H]2C=C1OC 604933957 MHLOGFJSVCLOLZ-HNNXBMFYSA-N 311.381 3.383 0 40 DGAB O=C(NC[C@@H](O)c1ccoc1)C1(c2cccs2)CCCC1 75171730 KVVAVXVHSRLIBN-CYBMUJFWSA-N 305.399 3.003 0 40 DGAB O=C(NCC[C@@H](O)c1ccccc1)c1nc2ccccc2s1 85436436 NSIDIINSMIHEGS-CQSZACIVSA-N 312.394 3.150 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Sc3ccc(N)cc3)C2=O)cc1 17032511 DFYJXSAQDPAWFY-OAHLLOKOSA-N 312.394 3.001 0 40 DGAB CN(CCCNC(=O)N1CCc2ccccc2C1)c1ccccc1 40068976 WQRZBWDIBDGMHP-UHFFFAOYSA-N 323.440 3.281 0 40 DGAB O=c1oc(=O)n(Cc2ccc(Cl)c(Cl)c2)c2ccccc12 195475 CEXHIAUUEJDSRO-UHFFFAOYSA-N 322.147 3.310 0 40 DGAB CCN(CC(=O)Nc1cc(C)nn1C(C)(C)C)c1ccccc1 50608839 BWIKNRSELKDFBD-UHFFFAOYSA-N 314.433 3.412 0 40 DGAB Cc1ccccc1N1CCN([C@H]2CCc3cc(O)ccc3C2)CC1 792 ZYGBSDBJSDMKLV-IBGZPJMESA-N 322.452 3.380 0 40 DGAB in-man C[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)[C@H](C)CO1 45525056 AMTPVOARFAKGHQ-NXEZZACHSA-N 308.428 3.121 0 40 DGAB Cc1nc2nc(NCc3ccccc3F)nn2c(C)c1Cl 2439297 RLRAQJIUYVXPTE-UHFFFAOYSA-N 305.744 3.146 0 40 DGAB Clc1nc(N2CCCCCC2)nc(N2CCCCCC2)n1 187216 LQMHOISJOWPGGP-UHFFFAOYSA-N 309.845 3.286 0 40 DGAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@H]1CC=CCC1 40510089 QIGNBENFCBOPFS-HNNXBMFYSA-N 300.402 3.126 0 40 DGAB C[C@H](NC(=O)NCc1cccc2cccnc12)c1cccnc1 68885889 HWTMZVJLFDTXGI-ZDUSSCGKSA-N 306.369 3.190 0 40 DGAB Cc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1 4355024 QPTGJJPHWOPUMK-UHFFFAOYSA-N 307.401 3.360 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@@]2(C)C(=O)CC[C@H]12 4655171 IUNYGQONJQTULL-DWFHNXMKSA-N 304.430 3.138 0 40 DGAB biogenic Cc1cccc(-c2cc3nc(C)cc(NCCCN(C)C)n3n2)c1 4969558 XEGDMEBEXWICKV-UHFFFAOYSA-N 323.444 3.377 0 40 DGAB Cc1cc(C(=O)OCc2nc(-c3ccc(F)cc3)no2)c(C)o1 7158779 HYKRDJMUWPEKTQ-UHFFFAOYSA-N 316.288 3.443 0 40 DGAB O=C(C[C@H]1Oc2ccccc2NC1=O)Nc1cccc(Cl)c1 7917596 BWRVXFBNFFOTPZ-CQSZACIVSA-N 316.744 3.068 0 40 DGAB CCN(C(=O)c1sc2nc3c(c(C)c2c1N)CCC3)C1CC1 32930571 RNVGDLUALFJSSB-UHFFFAOYSA-N 315.442 3.300 0 40 DGAB CC(C)Sc1nc(NN)c2c3c(sc2n1)COC(C)(C)C3 543769 HEHWMKWFEDKPCD-UHFFFAOYSA-N 324.475 3.329 0 40 DGAB CCN(C(=O)N[C@H](C)Cn1ccnc1)[C@@H](C)c1ccc(F)cc1 69621501 JOKDKYZHBJPDDS-KGLIPLIRSA-N 318.396 3.203 0 40 DGAB COc1ccccc1N1C(=O)c2ccccc2N[C@H]1c1cc[nH]n1 69600782 BJTNKEWSMZGKLR-QGZVFWFLSA-N 320.352 3.189 0 40 DGAB CC(=O)N[C@@H](CC(=O)NCc1ccccc1C)c1ccc(C)cc1 22979813 DLXBIONBAFLNLO-IBGZPJMESA-N 324.424 3.187 0 40 DGAB Nc1ccccc1C(=O)OCC(=O)Nc1ccc2ccccc2c1 1102811 AUDAOJDNPZXXDY-UHFFFAOYSA-N 320.348 3.218 0 40 DGAB CCc1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)cc1 20143887 LMALFXNFDLQMRW-UHFFFAOYSA-N 313.353 3.273 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 101275190 ORWYSTNPJGFXGL-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB CCNC(=O)c1ccc(Cl)cc1NCc1c(C)noc1C 55874404 ZRWBIQDDZASTDP-UHFFFAOYSA-N 307.781 3.307 0 40 DGAB CCc1nc(CC(=O)N(Cc2ccccn2)C(C)C)cs1 56097862 CUSYARSHLGCIGX-UHFFFAOYSA-N 303.431 3.080 0 40 DGAB CC(C)[C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 100067350 OELFLUMRDSZNSF-BBWFWOEESA-N 317.429 3.261 0 40 DGAB in-man Cc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)NC2CC2)o1 10025072 BBJCOHZNIHLOGR-ZHACJKMWSA-N 310.353 3.132 0 40 DGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1cc(-c2ccccc2)on1 44755346 LIRWBZYABQADSO-UHFFFAOYSA-N 321.292 3.028 0 40 DGAB Cc1nccc(C(=O)Nc2cnccc2Oc2ccccc2)n1 58324882 BRNFWLUJIOMGQD-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB COc1ccc2cc(C(=O)N(Cc3ccccn3)C3CC3)[nH]c2c1 58406536 SYKQZZLERLGKNQ-UHFFFAOYSA-N 321.380 3.376 0 40 DGAB O=C(CNC(=O)c1ccccc1Cl)Nc1cccc(Cl)c1 3366038 IDKMELYISQBCDU-UHFFFAOYSA-N 323.179 3.362 0 40 DGAB O=C(COc1ccc2ccc(C(F)(F)F)nc2c1)N1CCCC1 48287648 KMTPCAGUHIRERP-UHFFFAOYSA-N 324.302 3.255 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2ccccc2n1 48235936 IZJBHEGEBDCIMO-SGTLLEGYSA-N 320.348 3.402 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1F)C1CC1 12910672 RPZRWZRFRPYFPX-UHFFFAOYSA-N 323.364 3.318 0 40 DGAB O=C1NC2(CCCC2)C(=O)N1Cc1c(Cl)cccc1Cl 3605939 ITBYZLAKPFIHNH-UHFFFAOYSA-N 313.184 3.358 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 5120463 PZCKQPMXISVSFM-AWEZNQCLSA-N 301.411 3.443 0 40 DGAB Cc1cc(C)c2nc(NC(=O)CN3CCSC3=O)sc2c1 14181355 AUEOAMFRRQMICD-UHFFFAOYSA-N 321.427 3.020 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14123581 WCTVYASWPDHPMO-GFCCVEGCSA-N 311.360 3.255 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14110059 VIBMJMDRVWQJME-ONGXEEELSA-N 316.382 3.176 0 40 DGAB CC1CCN(C(=O)/C(=C\c2ccccc2)n2ccccc2=O)CC1 4575669 KHYWOJVTOFHLTM-OBGWFSINSA-N 322.408 3.105 0 40 DGAB O=C(O)c1ccc(C(=O)c2ccc(Br)cc2)cc1 4506542 CEXBCYLBJZXNNN-UHFFFAOYSA-N 305.127 3.378 0 40 DGAB CCn1c([C@H](NC(=O)c2ccccc2)C(C)C)n[nH]c1=S 5445066 NCWFGGQZJUYXEQ-GFCCVEGCSA-N 304.419 3.088 0 40 DGAB Cc1cc(OCCSc2nc(N)cc(N)n2)ccc1C(C)C 14640068 YMICHVSHYBYXCV-UHFFFAOYSA-N 318.446 3.244 0 40 DGAB COc1c(C)c(O)c2c(c1C)O[C@@H](c1ccc(O)cc1)CC2=O 14780100 VWWMSFMNICMFQB-CQSZACIVSA-N 314.337 3.430 0 40 DGAB biogenic O=C(CNc1ccc(F)cc1Cl)NCc1ccc(F)cc1 15122624 BUSWGGJRIDSDTF-UHFFFAOYSA-N 310.731 3.347 0 40 DGAB COc1ccc(-c2noc(CN3CCCC[C@@H]3C)n2)cc1OC 15261462 VDRAAVRMGDNODN-LBPRGKRZSA-N 317.389 3.128 0 40 DGAB CCc1ccc2c(COC(=O)c3cc(C)no3)cc(=O)oc2c1 7226286 KERVDZZVHURBKM-UHFFFAOYSA-N 313.309 3.009 0 40 DGAB COc1ccccc1Oc1ccc(NC(=O)c2cnn(C)c2)cc1 16303737 SVTXZEKXIWKMKR-UHFFFAOYSA-N 323.352 3.473 0 40 DGAB COc1cccc(-c2cc(=O)n(-c3nc4ccccc4s3)[nH]2)c1 9227012 JREPFEBWKHMIQO-UHFFFAOYSA-N 323.377 3.451 0 40 DGAB O=C(Cc1nc(Cc2ccccc2)cs1)NCc1ccco1 96009340 BWJUBIKUWPTKOR-UHFFFAOYSA-N 312.394 3.186 0 40 DGAB Cc1cnc(CCNC(=O)Nc2cc(C(C)(C)C)on2)s1 96434593 GMHORIBEAYECBW-UHFFFAOYSA-N 308.407 3.101 0 40 DGAB Cn1ncc2c(Nc3ccc(Br)cc3F)ncnc21 9532065 ASCLEAAZBCVPQW-UHFFFAOYSA-N 322.141 3.009 0 40 DGAB CNc1snc(C)c1C(=O)NCCc1ccc(Cl)s1 84026812 XUFRPPLECMWCGE-UHFFFAOYSA-N 315.851 3.181 0 40 DGAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 9895828 KLLBKMSEKFXJNI-YJBOKZPZSA-N 322.408 3.169 0 40 DGAB CN(C)CCN(Cc1ccncc1)Cc1ccc(Cl)cc1 23247740 GKROTWVZAOVSFS-UHFFFAOYSA-N 303.837 3.299 0 40 DGAB COc1ccc(CNCc2cccc(N(C)C)c2)c(OC)c1 75584075 ZHZPWDRCRJIZHW-UHFFFAOYSA-N 300.402 3.060 0 40 DGAB O=C(CCc1ccsc1)N1CC[C@@H](CN2CCCCC2)C1 72297638 CFYZQGJCZUTEFH-INIZCTEOSA-N 306.475 3.015 0 40 DGAB COCc1c(Cl)cccc1NC(=O)NCC1(OC)CCC1 97056827 PPFLBDAKLHEATE-UHFFFAOYSA-N 312.797 3.177 0 40 DGAB COC(=O)Nc1cccc(NC2CCN(CC(F)F)CC2)c1 97084514 OXEZDLGXXJWOTK-UHFFFAOYSA-N 313.348 3.006 0 40 DGAB CC[C@H]1c2ccccc2CCN1C(=O)c1cnc2c(c1)ncn2C 97050602 VHVWGFWFDZKHGZ-KRWDZBQOSA-N 320.396 3.118 0 40 DGAB C[C@@H](CN(C)C(=O)c1cc(F)cc2[nH]cnc12)c1nccs1 97108138 MIBAACOQVYDMPG-VIFPVBQESA-N 318.377 3.034 0 40 DGAB COc1ccc(NC(=O)NC2C[C@@H]3CCC[C@H](C2)N3C)cc1C 76069400 LRXFRTXINUKHLO-MQVJKMGUSA-N 317.433 3.140 0 40 DGAB C[C@@H](C(=O)N1CCC[C@@H](c2nccs2)C1)N1CCCCCC1 72300313 AOTPZTFIZZQXID-LSDHHAIUSA-N 321.490 3.114 0 40 DGAB Cc1ccc(CN2CCC(CNc3nnc(C4CC4)o3)CC2)o1 95358550 KIUAADXZAWLHIN-UHFFFAOYSA-N 316.405 3.173 0 40 DGAB CCOCCN(C)[C@H](c1cccnc1)c1ccc(F)cc1F 95400891 FBYLTFLUZAXYRQ-QGZVFWFLSA-N 306.356 3.418 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1 73921580 UJIKRGLVALAEDF-WCQYABFASA-N 310.357 3.017 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(F)cc1C 408707630 POPLQWYMYPDHML-ZDUSSCGKSA-N 308.397 3.405 0 40 DGAB COc1ccc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)cc1O 408838893 JULHPOKKZFCEEP-WSZGUFMCSA-N 321.332 3.410 0 40 DGAB Cc1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1Cl 73642623 UXQOUZVMJVLVOD-UHFFFAOYSA-N 313.788 3.310 0 40 DGAB COCCN1CCC[C@@H](c2nccnc2-c2cccc(F)c2)C1 72358498 XCHQKRHWJZKLBQ-OAHLLOKOSA-N 315.392 3.109 0 40 DGAB Cc1nc([C@@H](C)NC(=O)NCc2ccc(Cl)nc2)cs1 78663462 LLNAXKURPGWOIP-MRVPVSSYSA-N 310.810 3.060 0 40 DGAB COCCNC(=O)Nc1nc(-c2ccc(Cl)s2)cs1 43376870 JEJKAWIKWMLCJO-UHFFFAOYSA-N 317.823 3.293 0 40 DGAB C1=C[C@@H]2C[C@@H]1[C@@H](CN1CCN(CCCc3ccccc3)CC1)C2 222215842 RNNMSKIARPGIKI-NJDAHSKKSA-N 310.485 3.449 0 40 DGAB COc1ccc(CC(=O)N2CCCc3c(F)cc(F)cc32)cc1 40090383 PLGVMJPSDKSYFO-UHFFFAOYSA-N 317.335 3.495 0 40 DGAB COc1ccc(/C=C/C(=O)NCCOCc2ccccc2)cc1 223379365 YSERCKKONRQKLY-FMIVXFBMSA-N 311.381 3.041 0 40 DGAB CC(C)(O)CSCCN[C@H]1CCCOc2cc(F)ccc21 195557656 SBLNFJXRPHZCFF-AWEZNQCLSA-N 313.438 3.133 0 40 DGAB O=C(Cc1cccs1)NCCn1ccc(-c2ccsc2)n1 225577911 MZPCXDRTEMAEAT-UHFFFAOYSA-N 317.439 3.032 0 40 DGAB CC(C)=CCNC(=O)Nc1cccc(C(=O)N2CCCC2)c1 225628259 AOWBWIIVDLFBES-UHFFFAOYSA-N 301.390 3.010 0 40 DGAB O=C(Nc1ccc(-c2nnc3ccccn23)cc1)c1ccccn1 95476368 QQMWJUPXXAEXMV-UHFFFAOYSA-N 315.336 3.044 0 40 DGAB O=C(NCCC(F)(F)F)Nc1ccccc1OCC(F)F 96475055 XYPFDNXHBIUZQJ-UHFFFAOYSA-N 312.238 3.404 0 40 DGAB O=C(N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)[C@@H]1CCOC1 96486548 JNKSMMFNVVINLH-ZYHUDNBSSA-N 321.726 3.486 0 40 DGAB C[C@@H]1C[C@H]2CN(C(=O)c3cc4cc(Cl)ccc4o3)C[C@H]2O1 96045777 KZZMUUQWHONWJV-BPYAMOTFSA-N 305.761 3.336 0 40 DGAB O=C(O)[C@@H]1CCCN(c2cc(-c3ccccc3)nc(C3CC3)n2)C1 96516950 CZTLKDVTWLIFCB-OAHLLOKOSA-N 323.396 3.322 0 40 DGAB Cc1cnn([C@@H]2CCN(C(=O)c3coc4c(C)cccc34)C2)c1 580640877 DZPRZUUSGUFEKX-CQSZACIVSA-N 309.369 3.333 0 40 DGAB CC(C)n1nc(Cn2cccc2)c2c1CN(Cc1ccoc1)C2 96259153 IMKQFSOQJINUGM-UHFFFAOYSA-N 310.401 3.423 0 40 DGAB CCc1n[nH]c(NC(=O)c2ccoc2C2CC2)c1Br 252487673 HZIQUXPGEVCSFL-UHFFFAOYSA-N 324.178 3.457 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 257339056 ZAAQYXGJNZMZFQ-HNNXBMFYSA-N 323.440 3.302 0 40 DGAB COc1ccc(Cn2cc(NC(=O)c3occc3C)cn2)cc1 252485291 GQJHURIBBGNCCM-UHFFFAOYSA-N 311.341 3.094 0 40 DGAB CCn1ccnc1[C@H](C)NC(=O)c1cscc1C(F)(F)F 585114225 YWGCVYQXHVOWOA-QMMMGPOBSA-N 317.336 3.474 0 40 DGAB CCc1c(C)nc(SCC(=O)c2ccc(C)c(C)c2)[nH]c1=O 5021644 YYXQQJFDAGJJER-UHFFFAOYSA-N 316.426 3.233 0 40 DGAB CCN1C(=O)Nc2ccc(Cl)cc2[C@]1(O)c1ccccc1 5438354 BYLRNYNRGXIPPV-MRXNPFEDSA-N 302.761 3.401 0 40 DGAB S=C(Nc1ccc(N2CCCC2)nc1)NC1CCCCC1 11102468 PUQQGYZCDYWFTF-UHFFFAOYSA-N 304.463 3.301 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCCOC2)c2cccc(Cl)c2n1 12194428 IGQAPRBUJHDMTH-NSHDSACASA-N 304.777 3.105 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 16225888 ZGTPSBXINNLAJG-HYRRULHTSA-N 311.740 3.165 0 40 DGAB CN1C(=O)CN=C(c2c(F)cccc2F)c2cc(Cl)ccc21 13651906 DUNFPASORLTEGN-UHFFFAOYSA-N 320.726 3.432 0 40 DGAB COc1ccc(OC)c(NC(=O)CCOc2cccc(C)c2)c1 2638780 OXDABQBVHMGPKN-UHFFFAOYSA-N 315.369 3.420 0 40 DGAB Cc1cc(N2CCC[C@H](NC(=O)C3CC3)C2)nc2ccccc12 1888873336 GTSBDFJVMBUQEQ-HNNXBMFYSA-N 309.413 3.038 0 40 DGAB CCN1CCc2c(cccc2NC(=O)c2ccc(F)c(C)n2)C1 1888879114 MLGMBIAVADZHON-UHFFFAOYSA-N 313.376 3.159 0 40 DGAB CC(=O)N1CCc2ccc(NC(=O)CCc3ccccc3)cc2C1 9034874 YHNFEIAMIAEIRS-UHFFFAOYSA-N 322.408 3.163 0 40 DGAB COc1cccc(C(=O)/N=c2\sc3cccc(F)c3n2C)c1 100909207 VBWLMECIWVFZIO-VLGSPTGOSA-N 316.357 3.129 0 40 DGAB CN(C(=O)CN(C)[C@@H]1CCc2ccccc21)C1CCCCC1 40049994 SUBZPHHVPDHSSI-GOSISDBHSA-N 300.446 3.397 0 40 DGAB Cc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1F 30987422 JRHKQQXHRVMPMZ-UHFFFAOYSA-N 302.305 3.185 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnc3ccccc3c2C)cc1 133762 ABZDDFFMINHYMB-UHFFFAOYSA-N 301.353 3.494 0 40 DGAB O=C(CN1CCCCC1)NCC1(c2ccccc2)CCCC1 186079 BJVQFFCODZOABX-UHFFFAOYSA-N 300.446 3.101 0 40 DGAB CCCC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 569662 CCPFEXCFIQFDOD-UHFFFAOYSA-N 308.337 3.226 0 40 DGAB CC[C@@H]1SC2=NCN(c3ccc4ccccc4c3)CN2C1=O 1512463 PETNTFQJAQFRKJ-HNNXBMFYSA-N 311.410 3.285 0 40 DGAB COC(=O)c1ccc(NCc2cc(OC)ccc2OC)cc1 1645825 GSJMLMKCMARLRA-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB C[C@H]1Nc2c(ccc3ncccc23)C(=O)N1Nc1ccccc1 2042567 DASQVJOEXDOYLX-LBPRGKRZSA-N 304.353 3.476 0 40 DGAB CCOc1cccc(-c2nnc3sc(-c4ccccn4)nn23)c1 2423371 KFXSHKYRECXVHX-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)c1 101276365 QDBLDWSPLRLRIZ-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB COc1ccc(S(=O)(=O)NC(C)(C)C)c(Cl)c1Cl 382506 MJJLFZJLFBXQFR-UHFFFAOYSA-N 312.218 3.079 0 40 DGAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(C)cc1C 41095228 OWIJHLHATXVQMF-SMDDNHRTSA-N 311.447 3.169 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)O[C@@H]1C[C@H](C)OC1=O 32741795 ORFFXFJBPIBEAX-IONNQARKSA-N 323.395 3.041 0 40 DGAB CNc1nn(-c2ccccc2)c2c1C(=O)C[C@@H](c1ccco1)C2 10157187 RYBMHIBMDNXKKH-LBPRGKRZSA-N 307.353 3.420 0 40 DGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCCCc2ccccc21 32913169 LCAYMHZXTRGITI-UHFFFAOYSA-N 323.364 3.496 0 40 DGAB CCCCNC(=O)CCn1c(-c2ccc(C)cc2)n[nH]c1=S 21874555 OEVMQAJJXWMXPX-UHFFFAOYSA-N 318.446 3.223 0 40 DGAB Cc1noc(C)c1CNc1cccc(CS(=O)(=O)C(C)C)c1 71900482 WZTRETBEWRKCRP-UHFFFAOYSA-N 322.430 3.227 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@@H](C)Cc1cccs1 33205703 CELNVXSBDFXJSV-FGEFZZPRSA-N 323.849 3.204 0 40 DGAB CCOc1cccc(C(=O)Nc2onc3c2C[C@H](C)CC3)c1 11915441 BDRANEFLPJXIJK-LLVKDONJSA-N 300.358 3.450 0 40 DGAB CC(C)Oc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1 20141842 IKUISSXOBBOZPK-UHFFFAOYSA-N 313.353 3.102 0 40 DGAB O=c1[nH]c(-c2cccc(O)c2)nc2ccc(Br)cc12 53850672 ARSZLZUBFSZZHR-UHFFFAOYSA-N 317.142 3.058 0 40 DGAB Cc1cc(N[C@@H]2COc3ccccc32)nc(-c2ccncc2)n1 60862401 GNYNYCSZBXXFNY-OAHLLOKOSA-N 304.353 3.393 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cccn2)o1 27981321 ONXYJKANMBXUQG-ZDUSSCGKSA-N 307.353 3.116 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 20141849 HMRWGYVLUKIPAC-UHFFFAOYSA-N 315.325 3.130 0 40 DGAB CC(=O)Nc1ccc(CNCCc2c[nH]c3ccccc23)cc1 12598676 IBOAKDCHEVLIHI-UHFFFAOYSA-N 307.397 3.459 0 40 DGAB Cc1cccc(N2CCN(c3cnc4ccccc4n3)CC2)c1 26137735 FRSDBOOJHFNOHM-UHFFFAOYSA-N 304.397 3.265 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)c2ccccc2)c(C)c1 26358987 DXTZOUQSCSCNEF-UHFFFAOYSA-N 303.427 3.215 0 40 DGAB COc1ccccc1-n1ncc2c(C(C)C)nnc(S)c21 26421780 MZUOVCZURXIAAU-UHFFFAOYSA-N 300.387 3.236 0 40 DGAB COc1ccc(C(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3240324 RUMWVINLZZWFQU-UHFFFAOYSA-N 318.756 3.317 0 40 DGAB COc1ccc(CN(C)CCc2ccc(OC)c(OC)c2)cc1 3218130 TVHFJASIISSPET-UHFFFAOYSA-N 315.413 3.387 0 40 DGAB CCCOc1ccc2c(C)c(CCC(=O)O)c(=O)oc2c1C 2093734 QOFBBHGOBZQIMJ-UHFFFAOYSA-N 304.342 3.216 0 40 DGAB biogenic O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCCC1 69526252 MLBAXUKJZGYHJP-UHFFFAOYSA-N 312.369 3.338 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)[C@@H]1CCCN(c2ccccn2)C1 58246278 DGXMVLZMASSPIY-AEFFLSMTSA-N 321.424 3.102 0 40 DGAB COc1ccccc1OCCN1CCC[C@H]1c1cc(C)no1 44975823 VYADMCLLLDQWTI-AWEZNQCLSA-N 302.374 3.208 0 40 DGAB CCCN1C(=O)c2ccccc2N[C@H]1c1cn2ccccc2n1 58381484 CHVZICWFOSOXAL-QGZVFWFLSA-N 306.369 3.311 0 40 DGAB COc1ccc(CCC(=O)NCCCOC2CCCCC2)cc1 61547091 CFNAQYSTIAMQSJ-UHFFFAOYSA-N 319.445 3.483 0 40 DGAB Cn1ncc2c(SCCOc3cccc(Cl)c3)ncnc21 58529159 WCKNROCVZWFXNH-UHFFFAOYSA-N 320.805 3.188 0 40 DGAB CC(C)NC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12799872 WOBMEABETPQUTF-VQCYPWCPSA-N 322.459 3.042 0 40 DGAB CC[C@@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 113971220 HHPQUXITPHOIFD-MRXNPFEDSA-N 324.852 3.016 0 40 DGAB Cc1ccc(NC(=O)CS[C@H](C)C(=O)NC2CCCC2)cc1 8081461 LDABGFDVDOIFOQ-CYBMUJFWSA-N 320.458 3.114 0 40 DGAB C[C@@H]1SC(=N)N(c2ncc(Cc3ccccc3)s2)C1=O 16789806 NDJRCKOBXDYNEO-VIFPVBQESA-N 303.412 3.137 0 40 DGAB C1CCCN(C[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1 69564342 AVLXMGXADUXDJO-HNNXBMFYSA-N 318.465 3.035 0 40 DGAB Clc1ccccc1COc1cccc(CNc2nn[nH]n2)c1 22112228 RQMIZUPESQKXMQ-UHFFFAOYSA-N 315.764 3.044 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 4540112 ACGLRZSGAGQEEU-AWEZNQCLSA-N 319.719 3.199 0 40 DGAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@@H]2C1 4593014 KGZGAVOSMRBVRK-DDTOSNHZSA-N 306.793 3.131 0 40 DGAB O=C(OCc1cn2cc(Cl)ccc2n1)c1cccc(O)c1 5665783 IULMPHUVBXQHED-UHFFFAOYSA-N 302.717 3.050 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)s1 8777757 MHJLJNQSYFXIIP-VIFPVBQESA-N 316.382 3.337 0 40 DGAB CC[C@@H](C)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1 6975271 IRWSSSAUJGULPK-LLVKDONJSA-N 321.446 3.351 0 40 DGAB COc1cccc(CN(C)C(=O)c2ccc(CN(C)C)cc2)c1 68249755 CIXBFQZIEMUPPG-UHFFFAOYSA-N 312.413 3.029 0 40 DGAB O=C(CSCc1c[nH]c2ccccc12)NCc1ccco1 9667367 ZAEMYMGWZXGBNF-UHFFFAOYSA-N 300.383 3.311 0 40 DGAB COc1cc(C(=O)Nc2ccc(C)cn2)cc(Cl)c1OC 9321973 QYHSSTJAEBYVQZ-UHFFFAOYSA-N 306.749 3.313 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)on2)cn1 71796886 VXSGCNFRJDMRTJ-MRXNPFEDSA-N 322.368 3.052 0 40 DGAB CC(C)c1nc2n(n1)C[C@@H](NCc1cc3ccccc3o1)CC2 71877298 WAAKBGJEGSDKHS-AWEZNQCLSA-N 310.401 3.252 0 40 DGAB Cc1ccc(-n2cnc(C(=O)N(C)c3ccc(C)cc3C)n2)cc1 19910530 XTZKWTMITOLFKG-UHFFFAOYSA-N 320.396 3.469 0 40 DGAB CC(C)COc1ccc(NC(=O)c2ccnnc2)cc1Cl 89856394 UINHEVGHHKGGNS-UHFFFAOYSA-N 305.765 3.417 0 40 DGAB O=C(COCC1CC1)NCCc1nc(C2CCCCC2)cs1 72275261 DBQLMRXIIWSQKT-UHFFFAOYSA-N 322.474 3.276 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCCO[C@H]2CCC[C@H]21 72286739 QFHDGWITZYSIFQ-CVEARBPZSA-N 312.369 3.125 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1nc(C(C)C)no1 76047070 CWROFAJSQKOSTP-AAEUAGOBSA-N 303.410 3.138 0 40 DGAB O=C(C1CC=CC1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76059776 AITBZTYUDSEJNI-NSHDSACASA-N 313.323 3.101 0 40 DGAB COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 76019286 ZHALGIJGZZANAQ-YUELXQCFSA-N 323.820 3.234 0 40 DGAB Cc1cc(NC(=O)N2CCC(CO)CC2)ccc1OC(C)C 76070703 XIJJXIVEWXTDGS-UHFFFAOYSA-N 306.406 3.018 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CCCN2c2nccs2)cc1 78384122 LOJZVSGMEWPUPQ-CQSZACIVSA-N 301.415 3.313 0 40 DGAB C[C@H](CCc1cccc(F)c1)NC(=O)N(C)Cc1nccs1 95405663 MZJFZPHKGTYAAT-GFCCVEGCSA-N 321.421 3.445 0 40 DGAB COc1ccccc1Oc1ccc(NC(=O)[C@@H]2CCCN2)cc1 73350855 BKBYWEQBTCXFKS-HNNXBMFYSA-N 312.369 3.178 0 40 DGAB CC[C@@H](NC(=O)N1CCC2(CCOCC2)C1)c1cccs1 73794861 STJGALFYNSGVDO-CYBMUJFWSA-N 308.447 3.411 0 40 DGAB FC(F)(F)c1cc([C@H]2CCCN(Cc3cccnc3)C2)n[nH]1 78900828 SVDDZCAZNLJZSA-LBPRGKRZSA-N 310.323 3.203 0 40 DGAB C[C@@H](N[C@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 95968339 KMXGLMDHSXQJSR-DGCLKSJQSA-N 305.399 3.251 0 40 DGAB Cc1sc2ncnc(N(C)[C@H]3CCN(C)C[C@@H]3C)c2c1C 75105838 SMXHBZICMASRAO-GWCFXTLKSA-N 304.463 3.085 0 40 DGAB Cc1cc(Cn2ccc3ccn(Cc4ccccc4)c3c2=O)no1 89605074 OHZRSIMEWQMRDI-UHFFFAOYSA-N 319.364 3.196 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)NCc1ccccc1OC 30850706 XXTQKVXVLAFSOZ-KRWDZBQOSA-N 313.397 3.477 0 40 DGAB CC[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCO1 30231040 DSVHQKIATVXKQN-AWEZNQCLSA-N 303.333 3.337 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 408706850 GBCIXSDYYSZORI-WMLDXEAASA-N 316.445 3.121 0 40 DGAB Cn1c(SCCOc2ccccc2)nnc1-c1ccncc1 75331513 XFFNVLRDRIPFRZ-UHFFFAOYSA-N 312.398 3.048 0 40 DGAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2cccs2)C1 36364979 CBWHRHDYHFCTOI-SECBINFHSA-N 321.427 3.165 0 40 DGAB O=C(Nc1ccc(C2CCC2)cc1)c1ccc2c(n1)OCCO2 1542526945 YUQQYPZZRHFKMT-UHFFFAOYSA-N 310.353 3.373 0 40 DGAB COc1ccc(OCC(=O)n2c(C)c(C=O)c3ccccc32)cc1 216888880 BMCMOHPYUROWQY-UHFFFAOYSA-N 323.348 3.490 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C)c(N)c1 70462906 HELAPGQZCPAKNV-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1 38755267 NXYBSMNCYRABQD-ROUUACIJSA-N 313.397 3.292 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1cccs1 73013983 XOFLTZNRQVMBEL-LLVKDONJSA-N 304.371 3.052 0 40 DGAB OCc1nnc(SCCSC2CCCCC2)n1C1CC1 225689651 HRDAMWHFLHVNEG-UHFFFAOYSA-N 313.492 3.263 0 40 DGAB CCn1nncc1CN[C@H]1CC=C(c2ccc(F)cc2)CC1 417962059 BUPSWAHAOAUNFG-INIZCTEOSA-N 300.381 3.163 0 40 DGAB CCCCNC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225374435 DJEUXOKIMGQZEJ-UHFFFAOYSA-N 305.447 3.208 0 40 DGAB Cc1nccn1-c1ccc(CNC(=S)Nc2ccncc2)cc1 225459131 CVBRNQWUNSAIJZ-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB COc1ccc(CCCNC(=S)Nc2ncccc2C)cc1 225557917 JCAYOFGOZIRPRL-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB COc1ccc(NC(=O)c2cn(-c3ccc(F)cc3)cn2)cc1 226751749 KDUMRHKLVJJZPQ-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 195557811 WSCVARKLVSXGIA-SCDSUCTJSA-N 313.319 3.261 0 40 DGAB Cn1nnc(CN[C@@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 194289371 YHTQWZWJBXDHEJ-ZDUSSCGKSA-N 307.829 3.131 0 40 DGAB CCOCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 224406193 XXJHGVYKEVOLIJ-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB Cc1ccc([C@H](C)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)o1 97373999 YOTPKVHCBROHRC-RYUDHWBXSA-N 318.339 3.040 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCOC[C@@H]1CCCO1 95422497 IPHSGRMOLAFFML-DOTOQJQBSA-N 317.429 3.218 0 40 DGAB O=C(Nc1cnn([C@@H]2CCOC2)c1)Nc1ccccc1Cl 96123220 NYSWFLYJNVXCAF-LLVKDONJSA-N 306.753 3.142 0 40 DGAB CC[C@H](NC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1cc(F)ccc1F 96419005 IWQPCGQLUGNOEM-IOASZLSFSA-N 319.355 3.069 0 40 DGAB CCNc1ncc(C(=O)N[C@H](CC)c2ncc(C)s2)s1 95429502 LQFQMQURMKPLPY-SECBINFHSA-N 310.448 3.221 0 40 DGAB FC(F)CN1CCC(N[C@@H]2CCCc3sccc32)CC1 96476827 UWRSZHPYWFRWCK-CYBMUJFWSA-N 300.418 3.445 0 40 DGAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C2CCC2)C3)n1 247880929 QYFJQAFFBVOPPK-INIZCTEOSA-N 304.459 3.019 0 40 DGAB CO[C@H]1C[C@@H]2CN(C(=O)C(C)(C)c3ccc(C)cc3)C[C@@H]2C1 257219521 DHBVHQXROHALED-QLPKVWCKSA-N 301.430 3.156 0 40 DGAB CSC[C@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 584906841 SWKCPPMECYFXSE-IUCAKERBSA-N 311.838 3.393 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)CCc2cccs2)ccn1 257239994 HRQUREASQNVLBG-OAHLLOKOSA-N 315.442 3.481 0 40 DGAB Cc1cc(CCNC(=O)Nc2ccc(C(C)(C)C)cc2)nn1C 253399149 IMPXONLEPCKUCP-UHFFFAOYSA-N 314.433 3.390 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 96122294 WREWEQAFRXHOSZ-KRWDZBQOSA-N 314.360 3.303 0 40 DGAB O=C(c1cc2cc(Cl)ccc2o1)N1CCO[C@@H]2CCC[C@@H]21 53379336 CSIICDICOKEDJO-GXTWGEPZSA-N 305.761 3.480 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cnn1C 58245064 RFQOVKPPSLCBJC-JQWIXIFHSA-N 321.808 3.027 0 40 DGAB Fc1ccc([C@H]2CN(Cc3ccccn3)CCO2)cc1Cl 66844828 AYLRKPOAANPZRF-MRXNPFEDSA-N 306.768 3.448 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cccc(C)n1 12537811 IOVDKLQJBBKFLB-QGZVFWFLSA-N 321.380 3.293 0 40 DGAB Cc1ccc(S[C@@H](C)C(=O)NCCCN2CCCC2)cc1 13670596 NXDIFVNIZSSWSA-HNNXBMFYSA-N 306.475 3.078 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 13166581 FOUMPEUQHFWAQF-JTQLQIEISA-N 319.744 3.444 0 40 DGAB C[C@@H]1CN(C(=O)CCC(=O)c2ccc3ccccc3c2)CCO1 14122687 ZFAJDVUJQRWYRR-CQSZACIVSA-N 311.381 3.050 0 40 DGAB O=C(CNc1ccccc1OC(F)F)Nc1ccc(F)cc1 15124605 GCPPXNGPNGBLMW-UHFFFAOYSA-N 310.275 3.478 0 40 DGAB CCc1nc(N)nc2c1C(=O)C[C@H](c1ccc(Cl)cc1)C2 15424364 IXBSKVZETFMJBA-SNVBAGLBSA-N 301.777 3.187 0 40 DGAB O=C(O)/C(Br)=C(\Br)c1ccccc1 16889985 YCUQJKHDFXAMBE-BQYQJAHWSA-N 305.953 3.230 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@@H](OC)c1ccco1 206860609 QOOUXNCTXZEFSM-CQSZACIVSA-N 309.749 3.059 0 40 DGAB COc1ccc(C(N)=O)cc1OCc1ccc(F)cc1Cl 226318940 FUYAGMJTWKVJHW-UHFFFAOYSA-N 309.724 3.166 0 40 DGAB CC[C@@H]1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1 23701324 XYQYHMMLYHMMLX-OAHLLOKOSA-N 300.427 3.356 0 40 DGAB COc1ccc(-c2nnc([C@@H](C)OC(=O)C3CCC3)o2)cc1 26902309 MWPCZYUDUUFOBU-SNVBAGLBSA-N 302.330 3.150 0 40 DGAB C[C@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cccn1 28500513 JUOFNJLDZYDMPY-ZWNOBZJWSA-N 321.833 3.451 0 40 DGAB O=C(NCc1ccc(Oc2nccs2)cc1)c1ccncc1 245108381 SUISXSAEYPSNBY-UHFFFAOYSA-N 311.366 3.260 0 40 DGAB CCC(=O)NC[C@@H](c1cccs1)N1CCc2ccccc2C1 22907822 MXTKRVYBWZILOH-INIZCTEOSA-N 314.454 3.374 0 40 DGAB Fc1cc(Br)ccc1NCn1nnc2ccccc21 40890 AKXOKDIILNZEGQ-UHFFFAOYSA-N 321.153 3.403 0 40 DGAB CNc1snc(C)c1C(=O)NC[C@H]1CCCc2ccccc21 30897729 YMHRKVRPFDRLEO-CYBMUJFWSA-N 315.442 3.343 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)c1cc(Cl)ccc1F 31540550 AGJMBJMPUZEBQT-ZDUSSCGKSA-N 307.756 3.020 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1cccs1 69455581 WWFBIOGBTMHJBF-CVEARBPZSA-N 306.475 3.156 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@H](O)COCc2ccc(Cl)cc2)C1 240342 KSBZZJRLSSHLLD-VBQJREDUSA-N 311.853 3.195 0 40 DGAB COc1cc(C(=O)N(C)Cc2ccsc2)cc(OC)c1OC 17370964 KJKMAOQXKGGFDA-UHFFFAOYSA-N 321.398 3.046 0 40 DGAB COc1ccccc1C(=O)Nc1cc(Cl)ccc1C(=O)O 4201501 FVJWJWDUBOPNQB-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 32284979 HVOMHBZSLALRFP-GFCCVEGCSA-N 315.344 3.478 0 40 DGAB C[C@@H](NC(=O)Nc1nncs1)c1nc(C(C)(C)C)cs1 69698269 JAEXBRQHKSEOJK-SSDOTTSWSA-N 311.436 3.175 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(F)cc1 7971669 IXSJKZGAAUFPFB-UHFFFAOYSA-N 316.332 3.053 0 40 DGAB CCc1ccc(/C=C/C(=O)Nc2cnc3c(c2)c(C)nn3C)cc1 32899807 HBGVUZXYVZSFCD-MDZDMXLPSA-N 320.396 3.491 0 40 DGAB CC(C)CN(C(=O)CCNC(=O)c1ccc(Cl)cc1)C(C)C 32809934 GXWQQOTYQWKFES-UHFFFAOYSA-N 324.852 3.353 0 40 DGAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccc(F)cc1 55954319 RYTAJIPHGSILRB-CQSZACIVSA-N 317.360 3.097 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)o1 69699796 IMFQAPFFHZQQOU-CZUORRHYSA-N 315.417 3.369 0 40 DGAB CCc1nnc(SCCCOc2ccc(C=O)cc2OC)o1 8731617 RNSCYDLFMXKPCW-UHFFFAOYSA-N 322.386 3.014 0 40 DGAB c1ccc(CNc2ncnc3c2ncn3[C@@H]2CCCCO2)cc1 402732 POFWRMVFWIJXHP-AWEZNQCLSA-N 309.373 3.138 0 40 DGAB biogenic Cc1ccc(NC(=O)N[C@H](C)[C@@H](C)n2cncn2)cc1Cl 69668351 SHVQOQUTGGEYOA-GHMZBOCLSA-N 307.785 3.011 0 40 DGAB CC(C)(C)C(=O)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12118929 QLXAZZRCFBDMGF-UHFFFAOYSA-N 303.381 3.454 0 40 DGAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)c2ccccn2)CC1 100750001 VCCBWXJLVRBABR-FCEWJHQRSA-N 323.440 3.318 0 40 DGAB Cc1nn2c(nc(N3CCCCCC3)c3ccccc32)c1C=O 3178734 CCVBBSAUOCSFSC-UHFFFAOYSA-N 308.385 3.384 0 40 DGAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)NCc2ccc(Cl)cc2)C1 106744690 JMBFJQPPFXDILQ-HZSPNIEDSA-N 308.853 3.323 0 40 DGAB CO[C@H](C)c1nc(Cc2nc3scc(C)c3c(=O)[nH]2)cs1 89708860 MEAPIFOQZQKAHG-MRVPVSSYSA-N 321.427 3.048 0 40 DGAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc2c(c1)CCO2 25182471 YXGUDFOPHGZSOO-UHFFFAOYSA-N 319.364 3.119 0 40 DGAB CC1=C[C@H](C)[C@H]([C@@H]2NC(N)=Nc3nc4ccccc4n32)[C@@H](C)C1 53944168 MPVKDSOURSACLP-GVAFMPQTSA-N 309.417 3.323 0 40 DGAB CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 3269698 RKLNYXBGSUTCSH-LLVKDONJSA-N 304.173 3.223 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@@H]1CCC[C@@H](C2CC2)C1 89885408 IFOQSOYQOUHUSC-CHWSQXEVSA-N 303.431 3.023 0 40 DGAB CCCc1nnc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)s1 27794676 JSTYAUMPBHBWIP-GFCCVEGCSA-N 323.393 3.426 0 40 DGAB CCN(CC)c1ccc(C(=O)OCc2c(C)noc2C)cc1 3319182 PIRJIBVVOISTCH-UHFFFAOYSA-N 302.374 3.495 0 40 DGAB CC[C@@H]1Oc2cc(O)ccc2N(Cc2ccc(F)cc2)C1=O 36261099 XZVDIRJSMHJGGL-HNNXBMFYSA-N 301.317 3.236 0 40 DGAB C[C@H](NC(=O)CN(C)Cc1ccco1)c1ccccc1Cl 12754174 DIGDWUNBBXXOCK-LBPRGKRZSA-N 306.793 3.242 0 40 DGAB O=C(NCc1cccc(OCc2ccccc2)c1)[C@H]1CCCO1 48340820 IVVUJFCRSVGZQY-GOSISDBHSA-N 311.381 3.061 0 40 DGAB COc1cccc(CCCNC(=O)COc2cccc(C)c2)c1 66436421 ASQYJHGOJZCZSK-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@H](c1ccco1)N1CCCCC1 39984933 MHIMPZZGYMWWHV-JKSUJKDBSA-N 302.418 3.279 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(OC)c1 6324138 WCPSSQWLLUQESY-UHFFFAOYSA-N 312.369 3.087 0 40 DGAB Cc1cnc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)s1 14196532 SWIJUIHFXPOWTR-BQYQJAHWSA-N 310.382 3.289 0 40 DGAB C[C@]1(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCCO1 93353281 MHAVXNUGNAXTKU-OAHLLOKOSA-N 324.331 3.191 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3ccc(F)cc3)n[nH]2)cc1 14284230 JLCIGHRCOHYONZ-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(Cl)nc1 6636352 FTHPUNHJPDLXGY-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB CC(C)[C@H](CN1CCCC1)N(C)C(=O)OCc1ccccc1 6884385 SZXQJQQYDXXTEK-KRWDZBQOSA-N 304.434 3.375 0 40 DGAB CCc1nsc(NCC(=O)Nc2ccc(C)cc2Cl)n1 92626355 VDJWHFXEVMBCGS-UHFFFAOYSA-N 310.810 3.113 0 40 DGAB C[C@@](CC(=O)Nc1ccc(F)c(F)c1)(C(=O)O)c1ccccc1 8919156 OHDFXYGMHZPZQL-KRWDZBQOSA-N 319.307 3.336 0 40 DGAB COC(=O)c1sc(NC(=O)/C=C/c2cccc(F)c2)nc1C 7705886 HEACHEGIEJZPIC-VOTSOKGWSA-N 320.345 3.029 0 40 DGAB Cc1nnc(SCc2nc(-c3ccsc3)no2)n1C1CC1 7841232 NRTJQVPJODHFHU-UHFFFAOYSA-N 319.415 3.325 0 40 DGAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@@H]2CCCC[C@@H]21 68793729 AGRPOGFOIOTPGI-XOKHGSTOSA-N 305.393 3.174 0 40 DGAB Cc1nnc(SC[C@H](O)c2ccccc2)n1-c1ccccc1 9155927 OUYKWFMEWBXBIA-INIZCTEOSA-N 311.410 3.401 0 40 DGAB C[C@H](NC[C@H]1CCC[C@@H]1O)c1nc2cc(Cl)ccc2n1C 91349004 FBGVKAKTBFMQSU-RWSFTLGLSA-N 307.825 3.038 0 40 DGAB NC(=O)c1ccsc1NC(=O)CCCSc1ccccc1 9512525 BDNOPGPFJDOSEV-UHFFFAOYSA-N 320.439 3.358 0 40 DGAB O=C(NCc1nnc(-c2ccccc2)s1)N[C@H]1C=CCCC1 89853140 FEHNROQRDHOYHW-ZDUSSCGKSA-N 314.414 3.113 0 40 DGAB O=C(NCc1ccc(F)cc1)NCc1ccccc1OC(F)F 9710962 YVCFHSALYDUDRD-UHFFFAOYSA-N 324.302 3.427 0 40 DGAB CCn1c(C(=O)NCc2nccn2C(F)F)cc2ccccc21 72276826 UBIQYZMLAZSCRP-UHFFFAOYSA-N 318.327 3.183 0 40 DGAB COc1cccc(C[C@H](NC(=O)c2csnc2C)C2CC2)c1 97080474 JKLABHNLKOEOPQ-INIZCTEOSA-N 316.426 3.211 0 40 DGAB O=C(c1cnccn1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086523 UVBKNOAKMIZLLD-GFCCVEGCSA-N 321.302 3.125 0 40 DGAB COc1cccc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)c1 72329107 PRMAZDPKAKAGCH-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB CCc1ccc(-c2ccc(C(=O)NN3CCCCC3=O)o2)cc1 76065731 HVIUTVUAHBMOBR-UHFFFAOYSA-N 312.369 3.166 0 40 DGAB O=Cc1ccc(Sc2nnc(COc3ccccc3F)o2)o1 408555251 WELXWLIVEPAVCJ-UHFFFAOYSA-N 320.301 3.344 0 40 DGAB FC(F)CN1CCC(NC[C@H]2C[C@]23CCc2ccccc23)CC1 95986484 LHLUSPNQQTVNOW-DNVCBOLYSA-N 320.427 3.210 0 40 DGAB CCCn1cc(N[C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cn1 95991565 ZNSVAWGLDMOKOZ-STQMWFEESA-N 310.442 3.397 0 40 DGAB COc1cccc(NC(=O)Nc2nc(C)c(C(C)=O)s2)c1 27925387 UHNGJPOXGAQBRO-UHFFFAOYSA-N 305.359 3.307 0 40 DGAB CC(C)CNC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832389 KTYVTJHAIHZVQH-OAHLLOKOSA-N 308.853 3.324 0 40 DGAB CC1(C)[C@H](Cc2cc(CCO)on2)C[C@@H]1NC1CCCCC1 67889751 VXNADRFBLZTNGC-DYVFJYSZSA-N 306.450 3.089 0 40 DGAB biogenic,in-vitro O=C(c1csc2ccccc12)N1CCC2(CC1)OCCCO2 521394398 WLHWPUVBHNEPAD-UHFFFAOYSA-N 317.410 3.271 0 40 DGAB COc1ccc(C2=NO[C@](C)(C(=O)Nc3ccccc3)C2)cc1 35971959 ZKPSLLKPFKQSFU-SFHVURJKSA-N 310.353 3.217 0 40 DGAB CCn1nc(C)c2c(C(=O)N(C)C3CCCCC3)cc(C)nc21 36616942 MXAVHDQKVKYZSD-UHFFFAOYSA-N 314.433 3.473 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccncc1)c1cccs1 71195698 MIYVEBJPGUSZFQ-AWEZNQCLSA-N 324.409 3.136 0 40 DGAB Oc1cccc(CN(Cc2cccnc2)C2CCC(O)CC2)c1 77175883 RPZIBOMPXFADNH-UHFFFAOYSA-N 312.413 3.093 0 40 DGAB COc1cccc(C(=O)N2CC[C@H](c3ccccc3)C2)c1OC 38567140 VCTBINDQSHCMKV-HNNXBMFYSA-N 311.381 3.334 0 40 DGAB Cc1c(C(=O)NCCc2cccs2)c(=O)oc2ccccc12 38490185 YRWNUNCSJDZYNT-UHFFFAOYSA-N 313.378 3.135 0 40 DGAB Cc1ccc(C(=O)c2cccc(CN3CCOCC3)c2)cc1C 43211010 KOAHESXSDJDPSV-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB C[C@H]1C[C@@H](CNC(=O)c2cccc(O)c2)CN1Cc1ccccc1 195556821 ZJRLWPBKBXIZCK-RDJZCZTQSA-N 324.424 3.033 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@H]3C[C@@H]3C)cc2)C1 195529214 JGYJECHCDULUBN-RCJHGTSTSA-N 314.473 3.437 0 40 DGAB C[C@H]1CCCN(CCCNC(=S)Nc2ccccc2F)C1 44080814 PWSSOYAHGFOPCZ-ZDUSSCGKSA-N 309.454 3.234 0 40 DGAB O=C(Cn1ccc2ccc(F)cc21)Nc1ccc(Cl)cn1 40268330 BBADRQWGAUVZNR-UHFFFAOYSA-N 303.724 3.468 0 40 DGAB Nc1cc(Nc2ccccc2C(=O)O)nc(-c2ccc(F)cc2)n1 49468008 IHJJIKHKEBFEAZ-UHFFFAOYSA-N 324.315 3.307 0 40 DGAB Ic1cccc(-c2nc3cnccc3o2)c1 226281418 VXEJVJGDOGBTLG-UHFFFAOYSA-N 322.105 3.494 0 40 DGAB S=C(NC[C@@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 44665515 CTBCYMURTGAKRZ-INIZCTEOSA-N 320.458 3.473 0 40 DGAB Cc1cc(C)c2ccc(NC(=O)c3ccc4c(c3)OCO4)nc2n1 40818280 IDUNFEYBEYVAMI-UHFFFAOYSA-N 321.336 3.228 0 40 DGAB Cc1cc(CN(Cc2ccccc2)C[C@H](O)c2ccco2)on1 84135204 KPOGLBXULFQINA-KRWDZBQOSA-N 312.369 3.312 0 40 DGAB CCn1c([C@@H](C)N=c2nc(C(C)(C)C)o[nH]2)nc2ccccc21 572864645 YCILFRPOPAVDTH-LLVKDONJSA-N 313.405 3.332 0 40 DGAB Cc1ccccc1Cc1noc(Cn2cnc3ccccc32)n1 80284932 FGGOADMBZKERFG-UHFFFAOYSA-N 304.353 3.367 0 40 DGAB Cn1ccc2c(NC(=O)c3cc(-c4cccnc4)n[nH]3)cccc21 96117106 RWTKAUPEQZLKJB-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB O=C(c1cccn1CCc1ccccc1)N1CCc2cnccc21 97098151 MPKWTSASHZICEY-UHFFFAOYSA-N 317.392 3.329 0 40 DGAB CCO[C@H]1C[C@@H](NC2CCN(CC(F)F)CC2)C12CCCC2 96478809 IIBLMRUVCYLOCR-CABCVRRESA-N 316.436 3.043 0 40 DGAB COc1cc(-c2n[nH]c(=S)n2Cc2ccccc2)ccc1O 95929457 ZCRGPLMQCHDALR-UHFFFAOYSA-N 313.382 3.370 0 40 DGAB CCC(=O)Nc1ccc(Cl)c(NCC(=O)N(CC)C2CC2)c1 96427534 FXXOANRHFFQATH-UHFFFAOYSA-N 323.824 3.111 0 40 DGAB c1ccc(O[C@H]2COC3(CCN(Cc4ccoc4)CC3)C2)cc1 96221804 MBAAOHOKCCPJOF-GOSISDBHSA-N 313.397 3.482 0 40 DGAB CC(C)[C@@H]1CO[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1 96072041 LOESOPJPJRGQTL-FZMZJTMJSA-N 315.339 3.137 0 40 DGAB COc1ccc(CSc2nccn2-c2cccc(F)c2)nn1 252506059 VXNKMSFYYFVEDZ-UHFFFAOYSA-N 316.361 3.102 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251218895 MGEIFWGOINWVLT-ZQDZILKHSA-N 303.402 3.157 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2ccc[nH]c2=S)cc1 53664991 VWRSXIHLSXMONC-UHFFFAOYSA-N 301.371 3.345 0 40 DGAB C[C@]1(c2ccco2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 65516863 DWFMOXCMOSUCAC-OAHLLOKOSA-N 322.723 3.039 0 40 DGAB CC[C@@H](CSC)NC(=O)Nc1ccc(N2CCCC2)nc1C 96491521 PBFZJFRTJYGTQD-ZDUSSCGKSA-N 322.478 3.253 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)Cc1ccc2c[nH]nc2c1 577998910 ZMYUVMSAEXZBNC-GOSISDBHSA-N 322.412 3.198 0 40 DGAB CCC[C@@]1(CO)CCN(Cc2cccc(C(=O)O)c2Cl)C1 569593403 ZIKBWSSRPBBVMQ-MRXNPFEDSA-N 311.809 3.023 0 40 DGAB COC(=O)c1cccc(NC(=S)Nc2ccc(OC)cc2)c1 13795794 QDNMIGXRLHIIEV-UHFFFAOYSA-N 316.382 3.291 0 40 DGAB N#CCc1ccc(NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1 15028950 PZXYFIGPXQDYNA-RMKNXTFCSA-N 307.309 3.313 0 40 DGAB CCc1ccc([C@@H](CC(=O)O)N2C(=O)c3ccccc3C2=O)cc1 19784087 MSBOMSNSLQUTQG-MRXNPFEDSA-N 323.348 3.061 0 40 DGAB COc1ccccc1C(=O)COc1ccc2ccc(=O)oc2c1 5221587 KALXJMIRPRNWGG-UHFFFAOYSA-N 310.305 3.063 0 40 DGAB Cc1ccsc1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 13175980 BCIATAVGKZBNTN-LBPRGKRZSA-N 307.346 3.141 0 40 DGAB COc1cccc(-c2cc3c(=O)n(CC4CCCC4)ccn3n2)c1 1888913355 ZMMUYVFITAHTMM-UHFFFAOYSA-N 323.396 3.362 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)C1CCC1 1888914150 YKUVWJSJFYDXKU-OAHLLOKOSA-N 301.411 3.365 0 40 DGAB CC(C)(C)OC(=O)N1CCC(n2cc(C(C)(C)C)nn2)CC1 849134140 KAPDMMLOCRKUEF-UHFFFAOYSA-N 308.426 3.148 0 40 DGAB CC1CCC(NC(=O)c2ccn(-c3ccc(F)cc3)n2)CC1 31590972 UWPZCPXKELRYHG-UHFFFAOYSA-N 301.365 3.320 0 40 DGAB Cc1ccc(NC(=O)COc2cccc3c2CCC[C@H]3O)cc1 32691441 IOFFIYSGXKGEEA-QGZVFWFLSA-N 311.381 3.382 0 40 DGAB CC(C)C(=O)Nc1ccc(SCCN(C(C)C)C(C)C)nn1 13702185 BCDMINUJGPWGLH-UHFFFAOYSA-N 324.494 3.282 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccnc2)c(C)c1 7146750 QEGGWMNIQSHUTK-CQSZACIVSA-N 304.415 3.046 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1F 96407832 RJBGZUYTLZNZGR-ZIAGYGMSSA-N 317.335 3.433 0 40 DGAB CC[C@H]1c2ccsc2CCN1C[C@H](O)COCc1ccco1 40007541 LEUHXAYTWNNPRS-BBRMVZONSA-N 321.442 3.228 0 40 DGAB O=C(CCCc1cccs1)N[C@H](C(=O)O)c1ccccc1 20009739 UTDOJHHCXBBGLU-HNNXBMFYSA-N 303.383 3.013 0 40 DGAB CCc1cc2c(=O)c(-c3ccccn3)coc2cc1OC(C)=O 178276 HVXIDYRYKKBHDD-UHFFFAOYSA-N 309.321 3.343 0 40 DGAB biogenic Cc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1C 104093 AWTTVNTXDXUHKQ-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CCNC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@@H](C)C2 36646048 YCXVHMOUKLMUKK-SECBINFHSA-N 310.419 3.191 0 40 DGAB C[C@@H](Sc1nnc(N)s1)C(=O)C12CC3CC(CC(C3)C1)C2 11479852 YVVVVAWWICFHNH-HALIQOIHSA-N 323.487 3.386 0 40 DGAB C[C@@H]1CCCC(C)(C)[C@H]1NCCOC(=O)c1ccc(N)cc1 1711727 RQBCMASLXMHIPZ-CJNGLKHVSA-N 304.434 3.230 0 40 DGAB CNC(=O)Cc1ccc(NC(=O)C=C2CCC(C)CC2)cc1 71907992 SXEYAFMUNGDBTP-UHFFFAOYSA-N 300.402 3.050 0 40 DGAB CCc1c(C)nc(Nc2nc(C)c3cc(C)cc(C)c3n2)[nH]c1=O 10325322 JFELYTNKBUFEST-UHFFFAOYSA-N 323.400 3.253 0 40 DGAB CC(C)(CNC(=O)NCc1ccc(Cl)cc1)N1CCCCC1 32863551 YKXOSTKAAMQFKY-UHFFFAOYSA-N 323.868 3.404 0 40 DGAB Cc1cc(C)cc(Nc2nnc(S[C@H](C)C(=O)O)s2)c1 2617009 PLLZVLJAYWWDSC-SECBINFHSA-N 309.416 3.464 0 40 DGAB COc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 9188247 AWPPVXYAJUOKHT-PTNGSMBKSA-N 316.426 3.086 0 40 DGAB O=C(NCCSC1CCCC1)c1cnc2ccccc2n1 46453795 PSYRLZJWNTUZSG-UHFFFAOYSA-N 301.415 3.035 0 40 DGAB CCn1nc(C)c2ncnc(Nc3c(C)nn(C(C)C)c3C)c21 57312389 NYZGPFCNMSIWMZ-UHFFFAOYSA-N 313.409 3.292 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)cc2)on1 22911029 HJQHZBFDYGZXHI-WDEREUQCSA-N 307.781 3.314 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@H](c2ccccc2)O1 67828036 HOSYKALAFIBZRO-CXAGYDPISA-N 321.380 3.165 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2c(C)cccc2C)C1=O 101275236 YMESTXGIWSPBEA-OAHLLOKOSA-N 308.381 3.356 0 40 DGAB Cc1ccc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)nc1 27982148 FHZQVHXMMDKYTM-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB CN(C)c1cc(C(=O)N[C@@H]2CCSc3ccccc32)ccn1 47058518 JQRCFLYDRMWTBT-CQSZACIVSA-N 313.426 3.115 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(Cn3cccn3)cc2)cc1 47176893 GTLRSOIPEMCEJN-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB Fc1ccc(CN[C@H]2CCCN(c3cccnn3)C2)c(Cl)c1 105801975 SKIIEIVZBCPOJN-AWEZNQCLSA-N 320.799 3.028 0 40 DGAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3ccncc3)c2)n1 27970897 FLIIOKQQFULSOA-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB Cc1nc(Cc2ccccc2)sc1C(=O)Nc1cnn(C)c1 25310105 CRNKNIADZXTFEB-UHFFFAOYSA-N 312.398 3.028 0 40 DGAB Cc1cc(CN(C)C(=O)c2c(Cl)c3ccccc3n2C)no1 56889310 UUGUJQJRQUSTOS-UHFFFAOYSA-N 317.776 3.400 0 40 DGAB COc1ccc(NC(=O)C(F)(F)Oc2ccc(F)cc2)cc1 3117017 QGXOBRISGLYAIO-UHFFFAOYSA-N 311.259 3.445 0 40 DGAB NC(=O)[C@@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 26226349 KAGCYSMSWIFKGP-ZDUSSCGKSA-N 310.275 3.224 0 40 DGAB Cc1cn2c(n1)[C@H](CNCc1csc(C(C)C)n1)CCC2 89702150 OAUXKTZEPKXBCL-ZDUSSCGKSA-N 304.463 3.439 0 40 DGAB CSc1ccc(C(=O)CCC(=O)NCc2ccco2)cc1 26946460 MVCOGJQLJFPCNT-UHFFFAOYSA-N 303.383 3.281 0 40 DGAB O=C1NCCCC[C@H]1Sc1nnc(-c2cccc(Cl)c2)o1 10319262 AEPLBNGADDNNGL-LLVKDONJSA-N 323.805 3.151 0 40 DGAB Cc1noc(C)c1NS(=O)(=O)C1=Cc2ccccc2CC1 58366097 LMJCEXOUDYMKLC-UHFFFAOYSA-N 304.371 3.020 0 40 DGAB C[C@H](Nc1cc(Cl)nc(N)n1)c1ccc(OC(F)F)cc1 45026396 VQNJCCJHOIHUML-ZETCQYMHSA-N 314.723 3.487 0 40 DGAB CSc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1 10865818 UQCUSVIDSHVHFU-UHFFFAOYSA-N 303.431 3.330 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1C 3316705 XCDHGMPGFJKKFV-CZUORRHYSA-N 303.402 3.155 0 40 DGAB O=C(NCCOc1ccc2ccccc2c1)c1ccccc1O 10994869 YYSQLDUBIBJEGX-UHFFFAOYSA-N 307.349 3.354 0 40 DGAB CCOc1ccc(OCCSc2ncccc2C(=O)O)cc1 12778949 JOHOMZGKGRCPAW-UHFFFAOYSA-N 319.382 3.350 0 40 DGAB CNC(=S)N[C@@H](c1ccc2c(c1)CCC2)c1cccs1 17457849 UDYWMOXCKZFNOW-HNNXBMFYSA-N 302.468 3.420 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1F 7709429 UOYLCZKDRHYEBX-UHFFFAOYSA-N 320.320 3.314 0 40 DGAB C[C@@]1(c2cccc3ccccc23)NC(=O)N(CC(F)(F)F)C1=O 12976201 KBYYEWDLTQMTKX-HNNXBMFYSA-N 322.286 3.169 0 40 DGAB COC(=O)c1cc(NC(=O)Cc2ccccc2)ccc1Cl 8092199 VPTGMVHMDZWIFJ-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccco1 5139732 OGWBSWQHIPAMME-UHFFFAOYSA-N 324.380 3.482 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 69382105 XEJFLIJANKZMNC-ABAIWWIYSA-N 321.336 3.360 0 40 DGAB CN/C=C1/C(=O)N(c2ccc(Cl)cc2)C(=O)c2ccccc21 6904424 BKIIMCNPFGUZSX-XNTDXEJSSA-N 312.756 3.087 0 40 DGAB Cn1c(S[C@@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 8746501 UQBQYPNCGBSSNI-CQSZACIVSA-N 315.373 3.031 0 40 DGAB Cc1ncc(CNCc2cn3ccsc3n2)n1-c1ccccc1 84017773 CJFWFOHFSPOBAY-UHFFFAOYSA-N 323.425 3.180 0 40 DGAB COc1ccccc1CCNC(=O)c1cnc(C)cc1Cl 84077455 OCPJLRNBKQZYKF-UHFFFAOYSA-N 304.777 3.025 0 40 DGAB COc1cccc(C2=NN(C(N)=S)[C@H](c3ccccc3)C2)c1 19797225 WJWPQQNXZWMWBO-INIZCTEOSA-N 311.410 3.090 0 40 DGAB CC(C)N(C(=O)Cn1ccc2ccccc2c1=O)c1ccccc1 9498605 BKYVWRFUYFLCMP-UHFFFAOYSA-N 320.392 3.443 0 40 DGAB C[C@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccco1 96476463 YMWPHQRZTBJWBT-RDJZCZTQSA-N 300.402 3.004 0 40 DGAB CCCC(=O)Nc1cccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)c1 96487564 YESRWVZPZNYVEB-CZUORRHYSA-N 301.434 3.462 0 40 DGAB CCOC1CCN(C(=O)c2cc3c(C)cc(C)cc3[nH]2)CC1 71820678 UGKSDEKCCLSRMJ-UHFFFAOYSA-N 300.402 3.426 0 40 DGAB C[C@@H](CO)CS[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 72298272 PSXFEWAPLDIELS-UWVGGRQHSA-N 321.364 3.394 0 40 DGAB OCc1cccc(NCc2cn(-c3ccc(Cl)cc3)nn2)c1 97037430 WSUWJVMDIIGBDW-UHFFFAOYSA-N 314.776 3.025 0 40 DGAB COc1ccc2oc([C@@H](C)NCc3noc(C)n3)c(C)c2c1 97112122 DNHOQIPYKPKZEC-SNVBAGLBSA-N 301.346 3.292 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2F)cc1 72333836 DVALXHIRZFJLKM-CYBMUJFWSA-N 315.344 3.168 0 40 DGAB CC(C)(C(=O)NCCOc1ccc(Cl)cc1)c1cccnc1 95456776 IBSZEGYYJZQSBS-UHFFFAOYSA-N 318.804 3.208 0 40 DGAB Clc1cnccc1N1CCn2c(nnc2-c2ccccc2)C1 95408658 MSCUFKDJLDFEJC-UHFFFAOYSA-N 311.776 3.014 0 40 DGAB COc1ccc2c(c1)OCC[C@H]2NCc1cccc2cn[nH]c12 95409424 OMZMATCEILCTDV-MRXNPFEDSA-N 309.369 3.185 0 40 DGAB CC1(C)C[C@@H](NCc2nccn2Cc2ccccc2)C(C)(C)O1 95968686 OKBZGLUZLVORQS-MRXNPFEDSA-N 313.445 3.367 0 40 DGAB O=C(C[C@@H]1CNCCO1)Nc1ccc(SC2CCCC2)cc1 95962142 JGXHIPBIJZSXOX-CQSZACIVSA-N 320.458 3.038 0 40 DGAB C[C@H](c1cccnc1)N(C)C(=O)N[C@@H](c1nccs1)C1CC1 74708760 JEKRBLZONAGXEB-BXUZGUMPSA-N 316.430 3.392 0 40 DGAB CC[C@H](C)n1cc(I)c(COC(C)C)n1 408717006 USPSBJFQNWFLOM-VIFPVBQESA-N 322.190 3.384 0 40 DGAB O=C(O)c1cn(-c2ccc(F)cc2)c2cc(F)c(F)cc2c1=O 38882716 RWCWKPZDWFXAFG-UHFFFAOYSA-N 319.238 3.106 0 40 DGAB in-vitro CCN(CC)C[C@@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 566011194 MJSNFEKLWDQJGQ-ZDUSSCGKSA-N 318.392 3.376 0 40 DGAB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C(C)C)C3)o2)s1 72390087 XHJITTBHGVPQBK-GFCCVEGCSA-N 319.430 3.469 0 40 DGAB Cc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)c(C)c1 41056951 IBXKQIXYJBRUHB-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB CCCNC(=O)NCCSCc1c(F)cccc1Cl 225772238 RVSYDXKWLFFSAZ-UHFFFAOYSA-N 304.818 3.422 0 40 DGAB Cc1ccc(C(=O)NCC2(N3CCCCC3)CCCCC2)cn1 41947199 BQUWGVNEDWMHRX-UHFFFAOYSA-N 315.461 3.309 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CCC 223841300 PYQVGYLLUDXYOX-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB Cc1noc2ncc(NC(=O)CCSc3ccccn3)cc12 97227536 MPLRBHUGPIRQAZ-UHFFFAOYSA-N 314.370 3.047 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4ccccn4)C[C@H]3C2)s1 96053796 VIGHMSDUAOAPSU-HOTGVXAUSA-N 313.470 3.015 0 40 DGAB C[C@@H](Sc1ccccc1S(C)(=O)=O)c1nc(C2CC2)no1 96410910 RABMZIBUKLFMST-SECBINFHSA-N 324.427 3.204 0 40 DGAB Cn1c(S[C@@H]2OC(=O)c3ccccc32)nnc1-c1ccccc1 96191760 IOGWKJVTRFWKNO-INIZCTEOSA-N 323.377 3.443 0 40 DGAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1cccc(F)c1 96408345 BJKKGVULBARIAK-OAQYLSRUSA-N 305.374 3.265 0 40 DGAB COCCC(=O)N(C)[C@@H](c1ccncc1)c1ccc(Cl)cc1 96451785 WXOGTOGREWFTPF-QGZVFWFLSA-N 318.804 3.319 0 40 DGAB Cc1nc(CNC(=O)Nc2cccc(CSC(C)C)c2)no1 96435208 WMQDSPDAHBBKNL-UHFFFAOYSA-N 320.418 3.341 0 40 DGAB CCn1c2ccccc2c2cc(/C=C/C(=O)N[C@@H](C)CO)ccc21 97204647 JTZPYHUSLXQJCS-MARXPDLDSA-N 322.408 3.325 0 40 DGAB CC(C)CCc1cc(NC(=O)[C@@H]2OCC[C@@H]2C(C)C)n(C)n1 585083151 IUKKFXOMVVXDRB-GDBMZVCRSA-N 307.438 3.008 0 40 DGAB Cc1cccc(C(=O)OC(C)(C)C)c1NC(=O)[C@H]1CCCO1 585126253 UGPDRBVPNQQQLW-CYBMUJFWSA-N 305.374 3.068 0 40 DGAB C[C@H]1C[C@@H](C(=O)NCc2cn(C3CCC3)nn2)CC(C)(C)C1 585130184 KCKIZDQOLLROPX-QWHCGFSZSA-N 304.438 3.082 0 40 DGAB CC(=O)N1CCN(Cc2ccsc2)C[C@@H]1c1ccccc1 257254514 KDKVGSYDHDBQAO-QGZVFWFLSA-N 300.427 3.154 0 40 DGAB CO[C@H](C)CN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C 257277089 NWIZHGWCJVLDKL-SNVBAGLBSA-N 322.405 3.365 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)no1 257298513 RMAQMYXAPKUDPX-LLVKDONJSA-N 305.403 3.022 0 40 DGAB CO[C@@H](C)c1cccc(NC(=O)N(C)CCCN2CCCC2)c1 390835462 OIXFSXRYHKFPSE-HNNXBMFYSA-N 319.449 3.344 0 40 DGAB O=C(Nc1ccccn1)[C@@H]1CC(c2cccc(Cl)c2F)=NO1 1523002794 SKEHJBXUQBFROM-LBPRGKRZSA-N 319.723 3.006 0 40 DGAB CC(C)c1ccc(C(=O)N2CCN(Cc3ccccn3)CC2)cc1 53194671 QMRVDSDGLYOSMK-UHFFFAOYSA-N 323.440 3.163 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccco2)cn1 66511135 BNTCUXVFHYDEDB-UHFFFAOYSA-N 303.318 3.274 0 40 DGAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc2cc[nH]c2c1 72284881 YAUKWUFERAIDTL-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB O=C(N[C@@H]1CCC[C@H]1CO)c1ccc(CCC(F)(F)F)cc1 95433981 BSLPLQWSTPXEEM-UONOGXRCSA-N 315.335 3.072 0 40 DGAB COc1ccc(OC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 499032 NMVFJUYYKLDPAF-VZUCSPMQSA-N 314.337 3.331 0 40 DGAB CC(=O)Nc1ccc([C@H]2C=C(c3ccccc3)NC(=S)N2)cc1 5378519 RRZUPVKUJANVAY-QGZVFWFLSA-N 323.421 3.205 0 40 DGAB O[C@]1(c2ccccc2)CSC2=Nc3ccccc3[C@@H]3CCN1N23 5395958 ZNWIULDAACUKJA-WMZOPIPTSA-N 323.421 3.244 0 40 DGAB CN(C)C(=O)CSc1nc(-c2ccccc2)c2ccccc2n1 12138990 WPQGYGVKNWKBDM-UHFFFAOYSA-N 323.421 3.477 0 40 DGAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)[C@H]1CCOC1 12156724 LNZLQZOUYWWWPB-GOEBONIOSA-N 315.413 3.366 0 40 DGAB CC[C@@H](CN1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 12362950 KYLHNZHXPCDRIU-HNNXBMFYSA-N 318.436 3.238 0 40 DGAB Cc1nn2c(O)cc(-c3ccncc3)nc2c1-c1ccccc1 19582081 WILXMXSZBXTVJT-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB CN(C)C(=O)c1ccnc(NCc2ccc(Cl)c(F)c2)c1 158823399 OTZRJUPQKKRPIL-UHFFFAOYSA-N 307.756 3.188 0 40 DGAB c1csc([C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 157020465 DZFBSCAOOHMWGA-CQSZACIVSA-N 316.426 3.294 0 40 DGAB Cc1nc(C(=O)N[C@H]2CCCC[C@@H]2C)nn1-c1ccc(F)cc1 15191840 CWWXFIAAFIWRPO-NHYWBVRUSA-N 316.380 3.023 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CC[C@H](c4cc[nH]n4)C3)cc2c1C 1848352344 QYPKGYPUXUJCAP-AWEZNQCLSA-N 308.385 3.138 0 40 DGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 100059545 IEOCZOQZXTVXMY-JOCBIADPSA-N 321.376 3.147 0 40 DGAB CCc1nc2ccc(C(=O)N3Cc4cccnc4C3)cc2s1 585392977 USEMSBYPDXZBAQ-UHFFFAOYSA-N 309.394 3.410 0 40 DGAB Cc1nc2cc(NC(=O)c3cnc4onc(C)c4c3)ccc2o1 30940138 LONQMWPOWYIZBJ-UHFFFAOYSA-N 308.297 3.233 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnoc2-c2cccs2)cc1 88599 NTAQLXZLPPQPLL-UHFFFAOYSA-N 309.354 3.354 0 40 DGAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccccc1 72058 GBEPUPWLBYIWPY-UHFFFAOYSA-N 302.333 3.336 0 40 DGAB O=C(/N=c1\sccn1Cc1ccccc1)c1cc(Cl)c[nH]1 31088527 NWATYXWFLIKPOD-SDXDJHTJSA-N 317.801 3.321 0 40 DGAB Cc1cc(C)c2c(=O)n(C(=O)c3ccc(Cl)cc3)sc2n1 160333 YMAUKZYHCJAXOJ-UHFFFAOYSA-N 318.785 3.417 0 40 DGAB Cn1c2ccccc2c2ncn(CCc3ccccc3)c(=O)c21 2442201 PSBVKBACGZJYSN-UHFFFAOYSA-N 303.365 3.131 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@H]2CCCC[C@H]21 40553798 QUIOFUMIEBIDNH-OLZOCXBDSA-N 318.398 3.187 0 40 DGAB O=C(/C=C/c1nc2ccccc2o1)N1CCOc2ccccc21 36763846 JOKXYSRDZRQZMV-MDZDMXLPSA-N 306.321 3.267 0 40 DGAB COc1ccc2c(c1)C[C@@H](NCc1cncn1CC(C)C)CC2 67754511 SUGWMYZICJWGQY-KRWDZBQOSA-N 313.445 3.195 0 40 DGAB Cc1ccc(CNc2ncnc3c2cnn3[C@H]2CCCCO2)cc1 1681839 SHTJPRKZNARFGV-MRXNPFEDSA-N 323.400 3.446 0 40 DGAB CC(C)(O)CNCCCNc1ccnc2cc(Cl)ccc12 1706244 PVGKFEFXDTXWKX-UHFFFAOYSA-N 307.825 3.051 0 40 DGAB CCc1c(C)sc2ncn3nc(-c4ccn(CC)n4)nc3c12 2809241 ABVIODLNTKDTID-UHFFFAOYSA-N 312.402 3.093 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)[nH]n2)cc1 51315562 CAOGYJQIGAWUIQ-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB CCOC(=O)c1cccc(N(CC)Cc2c(C)noc2C)c1 59811787 DTRXPIZSLVQTTP-UHFFFAOYSA-N 302.374 3.495 0 40 DGAB CCc1cc2c(CN3CCC[C@H](C)C3)cc(=O)oc2cc1O 6851610 QFJGNHOSBKFTFZ-LBPRGKRZSA-N 301.386 3.293 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NCc2ccccc2)cc1 7790252 OWVSWWUKQQNZIQ-CYBMUJFWSA-N 301.411 3.492 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2)c1C 2632138 HIFCICYSHUXMGD-UHFFFAOYSA-N 304.321 3.200 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1 32760807 ZDSAZFQNECUNBS-AWEZNQCLSA-N 310.180 3.457 0 40 DGAB C[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccco1 32768863 LRYNUCUYLMZNES-JTQLQIEISA-N 317.370 3.201 0 40 DGAB O=C(c1cc(-c2ccccc2)no1)N1CCO[C@@H]2CCCC[C@@H]21 46481784 DNILEXXDZJEFBJ-JKSUJKDBSA-N 312.369 3.125 0 40 DGAB Cc1noc(C)c1CNc1cc(-c2ccccc2)nc2ncnn12 67905237 KUGDRUZZEOLTCZ-UHFFFAOYSA-N 320.356 3.008 0 40 DGAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccc(F)cc1 7535604 UARVQPAVNGSIAC-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB CCc1c(C)sc(NC(=O)c2cccc(C)c2)c1C(N)=O 2746676 JGINZJVLJALUQO-UHFFFAOYSA-N 302.399 3.279 0 40 DGAB COc1ccc(CCCC(=O)Nc2nc(C(C)=O)cs2)cc1 61134259 JHGUMPZEFWDUFQ-UHFFFAOYSA-N 318.398 3.316 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCc2ccc(O)cc2C1 41662078 UVVYLTOLMULEGS-UHFFFAOYSA-N 320.392 3.322 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)COC3)cs1)c1cccnc1 61340507 SZPISEMHUZGMDK-UHFFFAOYSA-N 323.377 3.488 0 40 DGAB COc1ccc(C2=NN(c3nc4ccccc4s3)C(=O)C2)cc1 100525327 XTNYJLMDGBTJQY-UHFFFAOYSA-N 323.377 3.446 0 40 DGAB O=C(COC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)cc1 104090046 WSFZGISQYONOQR-AVGNSLFASA-N 305.349 3.134 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2ccc(Cl)s2)cn1 12543101 HMIOLUYHCMTETA-UHFFFAOYSA-N 324.789 3.407 0 40 DGAB O=C(Nc1ccncc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 56498691 FCYCWPLFRKIJCZ-HNNXBMFYSA-N 307.357 3.327 0 40 DGAB C[C@H](NC(=O)N[C@H](C)c1ccc(F)c(F)c1)c1ccccn1 26186478 YCKTUBXTIWRVDR-MNOVXSKESA-N 305.328 3.481 0 40 DGAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1cccnc1)C3 57110888 MMIUKIXCNQSXFA-UHFFFAOYSA-N 322.364 3.103 0 40 DGAB CCC(=O)NCC(=O)Nc1ccc(S[C@H](C)CC)cc1C 58244691 NIRPRIHGMQPAML-GFCCVEGCSA-N 308.447 3.350 0 40 DGAB CO[C@H](C(=O)NCCSCc1ccccc1)c1ccccc1 20238611 AIBYWWJVCOASFW-KRWDZBQOSA-N 315.438 3.424 0 40 DGAB Cc1ccc(CNC(=O)C(=O)NCc2ccc(C(C)C)cc2)cc1 2174070 QLHJNQHIUSCJRU-UHFFFAOYSA-N 324.424 3.051 0 40 DGAB NC(=O)[C@H](Sc1ccc(C(F)(F)F)cn1)c1ccccc1 10320853 DWSKARACLNTWRH-GFCCVEGCSA-N 312.316 3.419 0 40 DGAB CSc1ccc(Cl)c(C(=O)NCCCn2cccn2)c1 27928402 ZXAKDLQGJXVHRM-UHFFFAOYSA-N 309.822 3.079 0 40 DGAB O=C(CNCc1cccc(Cl)c1)N1CCc2ccccc2C1 58445894 FCMSAVZHGZIDNS-UHFFFAOYSA-N 314.816 3.015 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1 3384869 FIBKMRPFTWZMJJ-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCC(=O)Nc2ccnn2C2CCCC2)C1 12760692 SVTMYFSTVMOJMI-GASCZTMLSA-N 318.465 3.305 0 40 DGAB CC[C@@H](NC(=O)Nc1cc(C)nn1C)c1ccc(OC)cc1 48234668 UFDJPJFWQHYNAX-CQSZACIVSA-N 302.378 3.010 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)Cc1ccc(C)cc1 12920559 VHTLTTDHIKNXPG-UHFFFAOYSA-N 323.392 3.304 0 40 DGAB O=C(CCC(=O)c1ccc2c(c1)CCC2)NCc1ccccc1 13007277 PHTOJHDCFIVVOB-UHFFFAOYSA-N 307.393 3.455 0 40 DGAB Cc1cccc(CC(=O)NCCc2c[nH]c(-c3ccccc3)n2)c1 13607996 GYWIEAIRDNXDCC-UHFFFAOYSA-N 319.408 3.287 0 40 DGAB COc1ccc(C(=O)NCc2cccc(Cl)c2)c(OC)c1 5062241 KCGVTTAIMAGDCF-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CNc1snc(C)c1C(=O)OCc1cc(-c2ccco2)on1 16553548 FIIRTOWDBWORHG-UHFFFAOYSA-N 319.342 3.098 0 40 DGAB CN(C(=O)Nc1ccccc1)[C@@H]1CCc2ccccc2NC1=O 13733453 ZZPXGBVWZMJVSK-MRXNPFEDSA-N 309.369 3.104 0 40 DGAB O=C(CCSc1nnc(-c2ccccc2)o1)N1CCCCC1 13857673 OZRCIYDLQYLGJC-UHFFFAOYSA-N 317.414 3.231 0 40 DGAB CC(C)(C)c1cc(NS(=O)(=O)c2ccc(Cl)s2)no1 13948470 KYESURATCDNFMN-UHFFFAOYSA-N 320.823 3.488 0 40 DGAB CN(C(=O)c1ccc(Cn2ccnc2)cc1)c1ccccc1F 69774819 HIOWEQWBXOKUPH-UHFFFAOYSA-N 309.344 3.347 0 40 DGAB CN(C(=O)c1cc(-c2ccco2)[nH]n1)c1ccc(F)c(F)c1 65846596 WWWMCCZKWPFPFF-UHFFFAOYSA-N 303.268 3.225 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1ccc2c(c1)OCCCO2 14386129 XJHPAEWPYHDNIM-UHFFFAOYSA-N 301.317 3.168 0 40 DGAB CCOCc1nnc(NC(=O)CCCc2ccccc2)s1 4696312 BIBGYUOBEUPZLB-UHFFFAOYSA-N 305.403 3.036 0 40 DGAB CCCCNC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 5707626 YSYZXPLTEDQHCG-GFCCVEGCSA-N 312.822 3.059 0 40 DGAB c1csc(-c2nc(CNCCCn3ccnc3)cs2)c1 66861969 BYYLULKNYDDKGH-UHFFFAOYSA-N 304.444 3.248 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCC(=O)c2ccccc2)c1 9388481 WYYALTGMUZFQMY-UHFFFAOYSA-N 310.353 3.247 0 40 DGAB NC(=O)C[C@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 93808580 WCZMAMGDVRGVNP-MRXNPFEDSA-N 316.445 3.095 0 40 DGAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1cnn(C)c1 72255178 LZBSKHBSNYHBOZ-CZUORRHYSA-N 323.400 3.368 0 40 DGAB COC[C@@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)c1ccco1 83897936 WWDNWYNFTOGGHE-HUUCEWRRSA-N 318.348 3.093 0 40 DGAB C[C@@H](NC(=O)N[C@H]1CCc2ccccc2C1)c1nccs1 72268249 LVIDCBRFNGYAJK-RISCZKNCSA-N 301.415 3.061 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 72235659 ZOBOCLCDXINQLL-INIZCTEOSA-N 317.458 3.358 0 40 DGAB Cc1noc(C)c1CN1CCC[C@H]1c1c(C)nn(C)c1Cl 75604974 ODKBYMYOAYFLJU-ZDUSSCGKSA-N 308.813 3.324 0 40 DGAB C[C@H](c1ccco1)N(C(=O)Cc1n[nH]c2ccccc12)C1CC1 95392974 KSVXLHLNOHSEGC-GFCCVEGCSA-N 309.369 3.451 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2ccc(Cl)s2)C2CC2)n1 95450833 RIUNTOHCXZJVCW-GFCCVEGCSA-N 307.806 3.381 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@H](C)N2CCc3ccccc32)c1C 73557001 HZHIODOXTGJDGS-LBPRGKRZSA-N 312.413 3.386 0 40 DGAB CCC1(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)COC1 79068917 CVIZTVGEGGNCRF-UHFFFAOYSA-N 303.358 3.093 0 40 DGAB Cc1nc(CNc2ccc(Cl)cc2Br)no1 95966873 CCDHSWUNXWARPS-UHFFFAOYSA-N 302.559 3.406 0 40 DGAB Cc1ccc(CC(=O)N[C@@H]2CCCOc3ccccc32)cc1O 89438935 NFQUJHJTVNLLTE-MRXNPFEDSA-N 311.381 3.273 0 40 DGAB CCC[C@](C)(CO)NC(=O)Nc1ccccc1Br 75094168 ONBSDUNLFOSMDO-CYBMUJFWSA-N 315.211 3.122 0 40 DGAB CC[C@@H](O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2 16250 WSXJPXFVULHYMX-QGZVFWFLSA-N 306.365 3.177 0 40 DGAB biogenic O=C(O)[C@@H]1CCc2ccccc2N1C(=O)OCc1ccccc1 39613152 SUWSCDKXOAADST-INIZCTEOSA-N 311.337 3.229 0 40 DGAB COc1ccc(/C=C/C(=O)N[C@@H](C)c2nc(C)cs2)cc1O 184997807 BLLQRSDMRYLCGJ-ZRQQLDRUSA-N 318.398 3.056 0 40 DGAB CC(C)c1nnc2sc(-c3cc(-c4ccco4)on3)nn12 32090121 PUGKQJFBWZAEAA-UHFFFAOYSA-N 301.331 3.224 0 40 DGAB O=C(O)c1conc1[C@@H](O[C@@H]1CCCCO1)c1ccccc1 504659478 CTEKQMBDOVQCNP-HIFRSBDPSA-N 303.314 3.005 0 40 DGAB C[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(F)cc1 38755329 FSWANMTUNAFEKN-LLVKDONJSA-N 311.353 3.145 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccccc1F)N(c1ccc(O)cc1)C2=O 66088073 DBXKDJFVSIQJLW-KRWDZBQOSA-N 323.327 3.313 0 40 DGAB CSC[C@@H](C)N(C)C(=O)Nc1cc(F)ccc1-n1cccn1 77460398 SNUACIKDVOXUFL-LLVKDONJSA-N 322.409 3.227 0 40 DGAB Cc1occc1[S@](=O)CCCc1nc(-c2ccccc2)no1 191201486 UFZTUFXBRFCJSY-JOCHJYFZSA-N 316.382 3.378 0 40 DGAB CCN(CC)C(=O)CCc1ncc(-c2cccc(OC)c2)o1 224848199 NXYBPXJLNRJJDU-UHFFFAOYSA-N 302.374 3.151 0 40 DGAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2cccc(F)c2)CC1 49796146 FUPOLYWWNHLQSC-AWEZNQCLSA-N 321.440 3.306 0 40 DGAB CCN(CC)c1ccc(N)cc1NC(=O)c1cccc(OC)c1 226261475 QEDDBVXPYHHZPG-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB CC(C)CO[C@H]1CCN(Cc2cccc(C(=O)O)c2Cl)C1 571453492 UGITYXGZICCYER-ZDUSSCGKSA-N 311.809 3.285 0 40 DGAB Cc1cc(NCc2ccc(C(F)(F)F)cc2C)n(CCO)n1 190913438 GYNNCUPTFPZPNJ-UHFFFAOYSA-N 313.323 3.123 0 40 DGAB O=C(O)c1ccn(-c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)n1 96517419 UFUIJHLARKOGGW-UHFFFAOYSA-N 324.315 3.044 0 40 DGAB Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccoc4)C3)C2=O)c1 96050564 NSNMBOIHBLXAOF-HXUWFJFHSA-N 324.424 3.213 0 40 DGAB C[C@@H](CCc1cccn1C)NC(=O)[C@H]1CCOc2ccccc21 96425741 NULBMSZQKNYOPI-YOEHRIQHSA-N 312.413 3.029 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@@H]1CC(C(F)(F)F)=NO1 583651684 QKHIEGHOMNLXRE-JTQLQIEISA-N 315.295 3.132 0 40 DGAB O=C([C@@H]1CCCO1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97372159 HICBBJXMQMGBJY-JSGCOSHPSA-N 313.319 3.200 0 40 DGAB Cc1ccc(CN2C[C@@H]3CCCO[C@@H]3[C@H](N3CCCC3)C2)s1 96057100 CWKCCUZSYJXKDZ-JQHSSLGASA-N 320.502 3.132 0 40 DGAB Cn1c(CSC2CCOCC2)cnc1SC(F)(F)F 585118799 CHVFARKMEYMJDZ-UHFFFAOYSA-N 312.382 3.444 0 40 DGAB COC(=O)[C@H](OP(=O)(OC(C)C)OC(C)C)C(F)(F)F 2570380 ZDYIYMOKTDFBPT-QMMMGPOBSA-N 322.216 3.065 0 40 DGAB COc1ccc(Br)cc1C(=O)Nc1cccc(C)n1 5331075 PPQVPRKDBSMZLW-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CC1(C)CC(C)(C)N(C(=O)N2CCOCC2)Cc2ccccc21 5388645 DBKDZAANGZAEAH-UHFFFAOYSA-N 316.445 3.401 0 40 DGAB C[C@H]1NC(=O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 5882888 QQAIQSYUNZHALI-RPVQJOFSSA-N 309.369 3.361 0 40 DGAB C=Cn1cc(CN2CCC(O)(c3ccccc3C)CC2)c(C)n1 12188732 GXEVWDPUBWOILS-UHFFFAOYSA-N 311.429 3.084 0 40 DGAB CN(Cc1ccccc1)C(=O)c1nc(-c2ccc(F)cc2)no1 12391665 MMXQKBLJBNORJM-UHFFFAOYSA-N 311.316 3.148 0 40 DGAB Cc1nccn1-c1cc(Nc2ccc(OC(F)F)cc2)ncn1 1888914741 NSAWLWJJQSIDCZ-UHFFFAOYSA-N 317.299 3.316 0 40 DGAB ClC1(Cl)C[C@H]1CSc1nnc(-c2ccncc2)o1 386063 JOJBOSNOBUFLIB-QMMMGPOBSA-N 302.186 3.418 0 40 DGAB CCCN(CCC)C[C@H](O)COc1ccc(C(=O)CC)cc1 4320416 XHFSRQFGNRKLAT-INIZCTEOSA-N 307.434 3.141 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)N(C)C)cc1C 10329644 LVHGGMLFLLFDEC-SFHVURJKSA-N 314.404 3.475 0 40 DGAB O=C(/C=C/c1cccs1)NCCn1cc(-c2ccco2)cn1 575615604 REXCPXRGIXNZLA-AATRIKPKSA-N 313.382 3.034 0 40 DGAB O=[S@](Cc1cccc(F)c1)Cc1cc(F)cc2c1OCOC2 96404544 XPFZOVIOMGEOTD-QFIPXVFZSA-N 324.348 3.280 0 40 DGAB O=C(O)[C@@]1(C(F)(F)F)CCN(Cc2ccc(Cl)s2)C1 104194241 MOGVOTURTVHYKP-SNVBAGLBSA-N 313.728 3.241 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1ccccn1 40119857 NSVNNVWIIYBHEF-HNNXBMFYSA-N 313.401 3.496 0 40 DGAB CCS(=O)(=O)c1ccccc1NC(=O)NC1CCC(C)CC1 40104979 MSBNQCMDRIZKRY-UHFFFAOYSA-N 324.446 3.180 0 40 DGAB Cc1nc(NC2CCCC2)sc1C(=O)NCc1cccnc1 40287410 GFFOTSTXBYAYHY-UHFFFAOYSA-N 316.430 3.131 0 40 DGAB CC[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 30853943 LDYFPMKGEJOCPN-SNVBAGLBSA-N 308.428 3.123 0 40 DGAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1Cl 261283 PLQJFSRJYJZTBQ-UHFFFAOYSA-N 314.728 3.099 0 40 DGAB CCc1c(C(=O)COc2ccc(C)nc2)[nH]c(C)c1C(C)=O 69696460 DSCVHGLDFPUHEC-UHFFFAOYSA-N 300.358 3.053 0 40 DGAB CCOc1ccc(-n2nc3c(OCC)nnc(C)c3c2C)cc1 1016778 VYPYDLGLIZSZOD-UHFFFAOYSA-N 312.373 3.230 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](C(N)=S)CC[C@@H]1c1ccccc1 2546146 WEBIJDMCKKACQD-OLZOCXBDSA-N 306.431 3.413 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)Nc1ccccc1F 6262391 LFNZVYVKLIMGEC-UHFFFAOYSA-N 317.320 3.437 0 40 DGAB CCOc1ccccc1OCCC(=O)Nc1nc(C)cs1 6790325 HIPONTAKAJYXDC-UHFFFAOYSA-N 306.387 3.258 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H]1CCc2ccccc21 32843566 DAXMKHNKNBQIOX-SFHVURJKSA-N 323.392 3.244 0 40 DGAB NC(=O)Nc1ccc(NC(=O)CCc2ccc(F)c(F)c2)cc1 32818046 MGLWMNFEBJZYTH-UHFFFAOYSA-N 319.311 3.027 0 40 DGAB O=S(=O)(NCc1cccc(C(F)(F)F)c1)c1cccs1 21821516 ZCWYVKVKRRYFGT-UHFFFAOYSA-N 321.345 3.245 0 40 DGAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc(=O)[nH]c1 32924366 PEBYSDLAPBDPSI-HNNXBMFYSA-N 302.399 3.098 0 40 DGAB Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1 29839191 SHYZNBRGWSEOSO-UHFFFAOYSA-N 308.425 3.173 0 40 DGAB CCOc1ccc(NC(=O)C(=O)Nc2ccc(C)c(C)c2)cc1 9912429 IHEXCBDOCCZZHX-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB c1cncc(CN2CCN(c3nc4ccccc4s3)CC2)c1 22092347 DALDSYUAWGWMDK-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB OC[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2ccccc12 71922316 NDXPOYZCVVECDF-AWEZNQCLSA-N 318.380 3.127 0 40 DGAB COc1cc(CCC(=O)Nc2ccnn2C(C)C)cc(OC)c1 22290496 MZNXNGBQXSIYEB-UHFFFAOYSA-N 317.389 3.053 0 40 DGAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)c1 101275235 HWYZMXPSVTVZOQ-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CN(C)c1ccccc1NC(=O)c1cncc(Br)c1 23152012 ONUGSZFHRZBYSR-UHFFFAOYSA-N 320.190 3.162 0 40 DGAB O=C(NCC(F)(F)F)N1CCCCC[C@H]1c1ccncc1 46915085 NHCVPKISSXENSK-LBPRGKRZSA-N 301.312 3.271 0 40 DGAB CCCOC(=O)c1nnc2sc(-c3ccccc3Cl)nn12 57332570 QMOWROYXBKJLJA-UHFFFAOYSA-N 322.777 3.073 0 40 DGAB Cc1ccc(O)c(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)c1 23563586 BITNAZXLZAELBN-CQSZACIVSA-N 321.380 3.377 0 40 DGAB O=C(Nc1ccccc1)c1cccc(NC(=O)[C@@H]2CCCO2)c1 24247890 WQYNQKQGPYUAIF-INIZCTEOSA-N 310.353 3.056 0 40 DGAB Cc1nsc(N)c1C(=O)OCc1cc(-c2ccccc2)on1 24841570 HJFOQWYVQOIJOB-UHFFFAOYSA-N 315.354 3.046 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 43727353 ZYYNKBODFRXOBE-ZDUSSCGKSA-N 312.413 3.298 0 40 DGAB C[C@H](NC(=O)Nc1cc(F)c(N(C)C)c(F)c1)c1cccnc1 56723558 RMFMKCCOKHGPRW-JTQLQIEISA-N 320.343 3.309 0 40 DGAB CNc1nc(SCc2nnc(C3CC3)o2)nc2ccccc12 58158449 RZEAOBUTWAZREF-UHFFFAOYSA-N 313.386 3.224 0 40 DGAB COc1cc([C@H](C)NC(=O)Nc2cn[nH]c2)ccc1OC(C)C 44970183 PPMVGOMALJRSOZ-NSHDSACASA-N 318.377 3.088 0 40 DGAB CCOC(=O)Cn1c2ccc(OC)cc2c2nc(C)sc21 2237695 ZJESBNJOTGUBSO-UHFFFAOYSA-N 304.371 3.131 0 40 DGAB CC(=O)n1cc(/C=C2\N=C(c3ccco3)OC2=O)c2ccccc21 2217182 MZHJVRUUNWPXRM-ZROIWOOFSA-N 320.304 3.239 0 40 DGAB N=C(N)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12 58405058 BZLUYRFASXKCMM-CYBMUJFWSA-N 312.804 3.436 0 40 DGAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1 10677948 LYVMOWTWDMGHFX-MRXNPFEDSA-N 323.364 3.394 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCN1CCCN(CC(F)(F)F)CC1 58577499 BFBAKXMKZDHVNZ-HUUCEWRRSA-N 322.415 3.152 0 40 DGAB CCC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccn2)c1 48258477 XZOVJODTYUQBFS-UHFFFAOYSA-N 312.373 3.060 0 40 DGAB COc1ccc(C(=O)N2CCC(Nc3ccccc3)CC2)cc1 48292023 SJSIEXQKHBQQJT-UHFFFAOYSA-N 310.397 3.412 0 40 DGAB CSc1ccc(COC(=O)[C@@H]2COc3ccccc3O2)cc1 3497984 ZFHQEUXSQYFKCH-INIZCTEOSA-N 316.378 3.292 0 40 DGAB C[C@@H](NCC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 12993078 QSRPNRQPLLQNBD-LLVKDONJSA-N 314.351 3.415 0 40 DGAB CCc1n[nH]c(SCc2nc3cc(Cl)ccc3n2C)n1 48598655 XHLJCUXGCRPVQX-UHFFFAOYSA-N 307.810 3.200 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 69899637 YQSNUSKKFILQDW-INIZCTEOSA-N 317.820 3.251 0 40 DGAB Cc1nc2ccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)O)cc2s1 13249543 WYPPNVQEWMDKRP-VXGBXAGGSA-N 316.382 3.210 0 40 DGAB Cc1ccc([C@@H](C)CCC(=O)Nc2ncnc3nc[nH]c23)cc1 4016575 AUQRGGFSDSCHNG-LBPRGKRZSA-N 309.373 3.184 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)cc1C 21915211 YQTOHVNGIQWSER-INIZCTEOSA-N 308.381 3.356 0 40 DGAB O=C([C@@H]1CC(c2ccc(F)cc2)=NO1)N1CCCc2ccccc21 5029885 CJDKMXZXFFBQTI-SFHVURJKSA-N 324.355 3.298 0 40 DGAB CCOc1ccccc1N(Cc1ccc(F)cc1)S(C)(=O)=O 408624112 FJYOUZNNYNYHEH-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccccc1C(F)(F)F 39956962 DHJLBUSFXBGSRT-SNVBAGLBSA-N 319.279 3.356 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCCOc2ccc(C)cc2)cc1 6347544 AXARSIYFDKKVET-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB O=C(OC[C@@H]1CC=CCC1)C1CCN(C(=O)c2ccco2)CC1 65577094 YRFFYPUDLNFINM-CQSZACIVSA-N 317.385 3.031 0 40 DGAB CC(C)C[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5352840 DBQIIQWWNCJPEG-INIZCTEOSA-N 316.401 3.106 0 40 DGAB in-vitro Cn1c(NC(=O)c2ccccc2OC(F)F)nc2ccccc21 6402155 PQJGKRDHLRYNKM-UHFFFAOYSA-N 317.295 3.427 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccco1 14183881 CNQASSIGWRVUPW-SNVBAGLBSA-N 316.382 3.205 0 40 DGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 4590212 RPDIQURGTSGHIT-SNVBAGLBSA-N 318.236 3.012 0 40 DGAB CCCCn1c(=O)c2ccccc2n2c(SC(C)C)nnc12 8710553 ARFRPDFZCQHMRR-UHFFFAOYSA-N 316.430 3.345 0 40 DGAB COc1cc(OC)c(OC)cc1/C=C1\C(=O)Nc2ccccc21 6638965 WKLBFJAURXDJRI-JYRVWZFOSA-N 311.337 3.205 0 40 DGAB biogenic Cc1cccc(NC(=O)CSc2nc(C(C)C)n[nH]2)c1C 6816016 NNAUEFWZPQMJGA-UHFFFAOYSA-N 304.419 3.276 0 40 DGAB CCCn1c(NC(=O)COc2ccccc2)nc2ccccc21 4941624 AXIVMHXTEYNANJ-UHFFFAOYSA-N 309.369 3.464 0 40 DGAB CCn1nnc2cc(C(=O)N[C@@H](C)CCc3ccccc3)ccc21 15563731 WGBPLYNFBUBJHX-AWEZNQCLSA-N 322.412 3.202 0 40 DGAB O=C(CN1CCCCCC1=O)O[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 71794545 VPKYUSKCEJQQMN-ARFHVFGLSA-N 307.434 3.291 0 40 DGAB CCn1c(CN[C@H](C)[C@H](C)n2cccn2)nc2c(F)cccc21 75606685 YMSUUVGULZRCEJ-OLZOCXBDSA-N 315.396 3.131 0 40 DGAB CCn1nc(C)c(NC(=O)Nc2ccc3c(c2)CCCO3)c1C 76070282 PXCWRUSYXCKGDP-UHFFFAOYSA-N 314.389 3.489 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)c1 71865898 WBRPZEKWNONXGW-KRWDZBQOSA-N 322.412 3.368 0 40 DGAB C[C@H](C/C(O)=N/S(C)(=O)=O)c1ccccc1C(F)(F)F 76758465 HCIRDCBWEWPLSJ-MRVPVSSYSA-N 309.309 3.115 0 40 DGAB O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@H](c2ccn[nH]2)C1 72295612 COCHEVARDYXQAW-ARFHVFGLSA-N 301.434 3.332 0 40 DGAB COc1ccccc1/C=C/CNC[C@H]1CCCn2cc(C)nc21 84257753 YVXWYKPJHPVNRK-ZGRWHYIRSA-N 311.429 3.381 0 40 DGAB O=C(Nc1ccc(-c2cccc(F)c2)c(F)c1)N1CC[C@H](O)C1 97107824 MYNAUUSJAGQGTQ-AWEZNQCLSA-N 318.323 3.230 0 40 DGAB Cc1ncc(/C=C/C(=O)Nc2ccc(-c3ncon3)cc2)s1 95395594 RTLRLTRYMOWQQM-VOTSOKGWSA-N 312.354 3.153 0 40 DGAB O=C(NCc1cn2ccsc2n1)C1(c2ccccc2)CCC1 95349495 PZXQWVRZCDYQES-UHFFFAOYSA-N 311.410 3.134 0 40 DGAB COc1cc(CNc2ccc(OC)nc2)c2c(c1)C[C@@H](C)O2 84718070 HNHPJGPFJMTTOX-LLVKDONJSA-N 300.358 3.034 0 40 DGAB CN(C)C(=O)Cc1ccccc1NCc1cccc2cccnc12 79016623 RZJYFDCYJPATJB-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB COc1cc(F)c(C(=O)NC2[C@H](C)CCC[C@H]2C)cc1OC 95965875 FYZUSSLWIFNHJJ-GHMZBOCLSA-N 309.381 3.397 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1 110678030 DCAPVOQDNHYGCJ-ZMSDIMECSA-N 320.820 3.018 0 40 DGAB Cc1ccc2c(c1)N(C(=O)c1nnc3ccccc3c1O)CCC2 75140977 FPBGHPJSEDWFTQ-UHFFFAOYSA-N 319.364 3.237 0 40 DGAB Cc1cccc(CC(=O)N2CCO[C@H](c3cccs3)C2)c1 89669449 BTPSOHHLWHKZQV-HNNXBMFYSA-N 301.411 3.199 0 40 DGAB Nc1c(-c2ccccc2)nnn1-c1ccc(Br)cc1 173395 WYKKTMOGJWNJQI-UHFFFAOYSA-N 315.174 3.279 0 40 DGAB biogenic CC(=O)N1CCc2ccccc2[C@@H]1[C@@H]1NCCc2ccccc21 31750737 AVKSIFQMKNTASD-WOJBJXKFSA-N 306.409 3.019 0 40 DGAB COc1cc(CCC(=O)Nc2cccc(-n3cccc3)c2)on1 79474431 IDJOGEQNJHOFAY-UHFFFAOYSA-N 311.341 3.045 0 40 DGAB CCC1(CC)NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 39570329 QTCCADKYKHKHDI-UHFFFAOYSA-N 314.307 3.316 0 40 DGAB CC[C@@H](C)Oc1ccc(C(=O)O)cc1I 39951778 OHACQAGAZPBNIP-SSDOTTSWSA-N 320.126 3.167 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1C 72227865 ZPDUVLYBGIBTJN-CVEARBPZSA-N 300.789 3.372 0 40 DGAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225693675 NRFXUFGTNAMRJO-QGZVFWFLSA-N 309.406 3.246 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C 222771052 RSXHJKUBJQPHNN-GJZGRUSLSA-N 300.431 3.019 0 40 DGAB CCCN(C)C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O 225433359 LZPUHHMTCJBHMV-JTQLQIEISA-N 306.337 3.016 0 40 DGAB biogenic,in-vitro CCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC(C)C 222455964 LYCFTPYIKRCSGC-MRXNPFEDSA-N 304.434 3.037 0 40 DGAB O=C(c1ccc(Cl)cc1)[C@H]1CCCN(C(=O)C(F)(F)F)C1 82238073 KBCCOGDOCYJHSQ-JTQLQIEISA-N 319.710 3.324 0 40 DGAB CCOC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(OC)cc1 575444758 JYYRENYCSOZWGI-AWEZNQCLSA-N 323.389 3.214 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 40088034 DTYOGNSYCKPYTL-YVEFUNNKSA-N 312.344 3.196 0 40 DGAB COc1ccnc(CN2CCC[C@H]2c2ccsc2)c1OC 225596683 PXNVMWVKCDDFIS-AWEZNQCLSA-N 304.415 3.497 0 40 DGAB C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@H]1c1ccc(O)nn1 530077818 XHYKIJOTCXHOCI-IPYPFGDCSA-N 303.406 3.062 0 40 DGAB Cc1nc(CN2CC[C@@H]3O[C@@H](COCC(C)C)CC[C@@H]32)cs1 96186669 MUJYFEGGUJYGDH-IKGGRYGDSA-N 324.490 3.246 0 40 DGAB COc1ccc(NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)cn1 96434010 OAIFDBOGNWTHIW-CYBMUJFWSA-N 318.402 3.128 0 40 DGAB O=C(CC1CC1)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 96221892 DMDCSNRYJURXLU-KRWDZBQOSA-N 315.413 3.016 0 40 DGAB CC[C@H](Nc1ccc2nnc(C)n2n1)c1cc(F)ccc1F 96419471 XLBGARBYKFFGSK-ZDUSSCGKSA-N 303.316 3.274 0 40 DGAB C[C@H](NC(=O)NCCOC1CCCCCC1)c1nccs1 96411442 PIPUGDNVSQAPJZ-LBPRGKRZSA-N 311.451 3.243 0 40 DGAB COc1cc(NC(=O)N2CC[C@@H](C)C2)ccc1Br 96446050 PEMPWWFTUXCUKC-SECBINFHSA-N 313.195 3.331 0 40 DGAB Oc1nncn1C1CCN(Cc2csc3ccccc23)CC1 585085444 PRIIDEDWPGVKFY-UHFFFAOYSA-N 314.414 3.036 0 40 DGAB CC(C)(C)C(=O)N1CCC(c2cccc(-c3cc[nH]n3)n2)CC1 257294518 QUNOFUZGNLHILJ-UHFFFAOYSA-N 312.417 3.224 0 40 DGAB Cc1csc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)c1 257313693 UTRKSKWJBDDLCZ-ZDUSSCGKSA-N 303.431 3.183 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)C3CCC3)cc2F)C[C@@H](C)O1 46068215 HJVQVFHXAIFRHD-TXEJJXNPSA-N 306.381 3.178 0 40 DGAB C/C(=C\C(=O)NCCCn1ccnc1C)CCc1ccccc1 69442859 BDUPLPHGELWUMN-FOCLMDBBSA-N 311.429 3.277 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 69739740 GXNUJSOOFYIVEF-RCCFBDPRSA-N 309.413 3.196 0 40 DGAB CO[C@H]1CCCC[C@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 84642866 MXIUEUQVKXUMSJ-OLZOCXBDSA-N 322.371 3.461 0 40 DGAB Cc1cccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)c1 14336878 IQCNFOKTBJHXRF-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB Cc1ccc(S(=O)(=O)[C@@]23N=NC(C)(C)[C@H]2N=NC3(C)C)cc1 5766432 OZSJQDTYFLOKMG-DOMZBBRYSA-N 320.418 3.322 0 40 DGAB CCn1c2ccc(Br)cc2c2nnc(S)nc21 5823305 JEHUBALMZIABHW-UHFFFAOYSA-N 309.192 3.051 0 40 DGAB C[C@H]1NC(=O)C[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882890 QQAIQSYUNZHALI-SKDZVZGDSA-N 309.369 3.361 0 40 DGAB CC(=O)c1ccc(NC(=O)Cc2cnn(-c3ccccc3)c2)cc1 14898264 DVCMTXUGUPNETL-UHFFFAOYSA-N 319.364 3.256 0 40 DGAB COc1ccc(CNC(=O)c2cc(Cl)ccc2F)cc1OC 15425945 NMYXERHZDXGILC-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB CCn1nc(C)c(-c2cncn2C[C@@H](C)N2CCCCC2)c1C 19719611 ROXNMEURZIJCFY-CQSZACIVSA-N 315.465 3.258 0 40 DGAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)(C)C)cc21 8959388 VUPHHADGVYGTDJ-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)[C@H]3CC=CCC3)cc2)cn1 1889125205 VTWODTRFCMCINQ-KRWDZBQOSA-N 309.413 3.102 0 40 DGAB CN(C)[C@@H](CNC(=O)/C=C/c1ccccc1)c1ccsc1 25810428 UJGYAUDYSUBAFK-FDMDGMSGSA-N 300.427 3.180 0 40 DGAB Cc1cc(C)c2c(NC(=O)/C=C/c3ccccc3)nn(C)c2n1 4743209 GRUPKJOCFXNAEV-MDZDMXLPSA-N 306.369 3.237 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)CC(=O)N2 38678316 WYDWLJUYFIWCMZ-UHFFFAOYSA-N 316.357 3.051 0 40 DGAB O=C(c1cc(-c2ccco2)n[nH]1)N1CCCC[C@@H]1c1cccnc1 247876969 UHKGUHBRKSZOLG-MRXNPFEDSA-N 322.368 3.432 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CSc2nncn2C)cc1 31496 ZAFRNTCICSNNOW-NSHDSACASA-N 304.419 3.059 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccsc1 40107713 XHTWQTMVSRPQIP-CYBMUJFWSA-N 301.367 3.454 0 40 DGAB O=C(NCCc1cccs1)Nc1cccnc1N1CCCC1 40121056 AECKPOKSNLTPJA-UHFFFAOYSA-N 316.430 3.108 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2cccc(Cn3ccnc3)c2)c1 30656918 KZGQIBIENJMMJO-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB COc1ccccc1CCNC(=O)c1ccc2c(ccn2C)c1 40288530 IVNDHQUZFVFVSY-UHFFFAOYSA-N 308.381 3.159 0 40 DGAB CC(C)C[C@@H](NC(=O)CN1CCSC1=O)c1ccccc1 30893753 HKFXVDULHCAYCN-CQSZACIVSA-N 306.431 3.059 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@H]1C[C@@H]2CC[C@H]1C2 479519 XPRKLRRZRRYZIW-INWMFGNUSA-N 320.392 3.105 0 40 DGAB CC(C)CC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 570385 YPCOLPXBZOKXHS-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB Cc1ccc(CC(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 578044 XDOGSTXIUDBTJQ-UHFFFAOYSA-N 312.388 3.025 0 40 DGAB Cc1cc(=O)oc2c(C)c(OCc3ccc(C(=O)O)o3)ccc12 32123765 KNOYJILMBCRUIL-UHFFFAOYSA-N 314.293 3.280 0 40 DGAB biogenic CCN(CC)CC[C@@](C(=O)O)(c1ccccc1)C1(O)CCCC1 6382387 IDAQTJVJSKHEHU-IBGZPJMESA-N 319.445 3.046 0 40 DGAB Cc1ccccc1CN(C)CC(=O)Nc1cc(C(C)(C)C)no1 7680941 SUIHUQVKXRBKRC-UHFFFAOYSA-N 315.417 3.351 0 40 DGAB CC(C)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 59391099 OBRPQCPYAGGYFX-UHFFFAOYSA-N 322.714 3.070 0 40 DGAB COc1ccc(C(=O)[C@H](c2ccccc2)C(OC)OC)cc1 367569 RSNOSHIYSMYWFG-INIZCTEOSA-N 300.354 3.281 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)NCCCN1CCCC[C@H]1C 52501752 SLLVOZWSWFKSRV-LSDHHAIUSA-N 323.506 3.243 0 40 DGAB Cc1ccccc1-c1nnc(SCc2ccn(C)c(=O)c2)o1 32937560 RKWMSTUQJWQNIH-UHFFFAOYSA-N 313.382 3.036 0 40 DGAB COc1cc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc(Cl)c1OC 21895277 PCBLLXKHFQJDGG-QWRGUYRKSA-N 311.809 3.475 0 40 DGAB C[C@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(F)cc1 12257442 FNRJJCPHALPYBM-VIFPVBQESA-N 322.409 3.361 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@@H](c2ccccc2)C1 22626740 KGKZGZYPVWAMCB-LJQANCHMSA-N 320.392 3.311 0 40 DGAB O=C(NCCOc1ccccc1)c1ccc(-c2cnco2)cc1 47625190 BWIWHWWEKNKULU-UHFFFAOYSA-N 308.337 3.150 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2ccncc2)cc1OC 12527475 TWVWJKCBTAPKDE-UHFFFAOYSA-N 306.749 3.395 0 40 DGAB c1ccc(C2=NCN(C[C@@H]3CCCO3)CN2c2ccccc2)cc1 22609071 AAKHSDAXOMNNOQ-IBGZPJMESA-N 321.424 3.349 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN1Cc2ccccc2C1 106303801 RVLBOEDAALWXRU-UHFFFAOYSA-N 316.788 3.303 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)Nc1ccccc1 1379709 QDOSLMMXCOTESQ-MRXNPFEDSA-N 315.417 3.132 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(OC(F)F)cc1 12559858 JCHFWDBPWFLVHT-UHFFFAOYSA-N 303.268 3.022 0 40 DGAB CCCc1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 34865633 FWJQPKPJVFOWAS-WFASDCNBSA-N 319.380 3.296 0 40 DGAB C[C@H](c1cc(F)ccc1F)N1CCC(NC(=O)C2CC2)CC1 56284252 GINFUMDDQJMBHJ-LLVKDONJSA-N 308.372 3.016 0 40 DGAB Cc1ccccc1-c1nc2cc3c(cc2c(=O)o1)OCCCO3 25605468 CFSYZRVWYFRDAB-UHFFFAOYSA-N 309.321 3.325 0 40 DGAB Cn1cnnc1SCC(=O)c1cc(Cl)ccc1Cl 3220898 OJWAYIUSSJOQNM-UHFFFAOYSA-N 302.186 3.097 0 40 DGAB C[C@H](C[C@H](O)c1ccco1)NC(=O)NC[C@H](C)c1ccsc1 108106100 FZULUSGSOIJSDA-SCRDCRAPSA-N 322.430 3.256 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 44895092 NZWXRTJOARTSEC-CYBMUJFWSA-N 321.384 3.369 0 40 DGAB CC(C)[C@@H](NC(=O)c1cccnc1)c1nc(-c2ccccc2)no1 58222635 CELQUTBZQSSYJC-OAHLLOKOSA-N 322.368 3.259 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)o1 44951245 RESQXFRBMBCMIC-TZMCWYRMSA-N 321.446 3.313 0 40 DGAB Cc1cccc(-c2cccc(CNc3ccc4nnnn4n3)c2)c1 58356928 HVNASQLTGKYIKF-UHFFFAOYSA-N 316.368 3.107 0 40 DGAB Cc1noc(C)c1COC(=O)Cc1ccc(Br)cc1 3319178 KELWYPRGFSLRJZ-UHFFFAOYSA-N 324.174 3.340 0 40 DGAB CCCCCNC(=O)NC1CCN(Cc2ccccc2)CC1 12971263 ZRAVQFGGECTWKX-UHFFFAOYSA-N 303.450 3.140 0 40 DGAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CC[C@@H]1CCCO1 69562287 QJYZCIWCKNUOJL-AWEZNQCLSA-N 317.364 3.124 0 40 DGAB c1ccc(C2(c3ccccc3)OC[C@H]([C@@H]3CCCCN3)O2)cc1 8659933 HGKAMARNFGKMLC-RBUKOAKNSA-N 309.409 3.445 0 40 DGAB in-man O=C1N=C(Nc2ccccn2)S[C@H]1Cc1ccccc1Cl 13598586 MGMLJWRFAOCMIV-LBPRGKRZSA-N 317.801 3.388 0 40 DGAB Cc1cnc(C(=O)N[C@H](c2ccccc2)c2cccs2)cn1 8753621 MWUXGHDHKREHFI-MRXNPFEDSA-N 309.394 3.366 0 40 DGAB Cn1ccnc1SCc1nnc(-c2ccc(Cl)cc2)o1 6369279 XNMYLBRTSNMWEO-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB COC(=O)c1cccc(NC(=O)CSCc2cccs2)c1 14023179 SHFOVOYZDMBZTP-UHFFFAOYSA-N 321.423 3.407 0 40 DGAB CS(=O)(=O)Cc1cccc(C(=O)NC2CCCCCCC2)c1 14181772 CAQCMRSLKFTULX-UHFFFAOYSA-N 323.458 3.074 0 40 DGAB Cc1ccc2nc(SCC(=O)NCc3cccs3)[nH]c2c1 6506546 DEELKRQBAYZJBT-UHFFFAOYSA-N 317.439 3.341 0 40 DGAB CC1CCC(NC(=O)C(=O)NCc2ccc(C(C)C)cc2)CC1 408708234 WCTSZSFJWSZZGP-UHFFFAOYSA-N 316.445 3.121 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)ccc1F 4744948 RLRNIGHOFPEVMO-FZMZJTMJSA-N 315.410 3.081 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 5650106 LKUCNRLEDYHFMU-CQSZACIVSA-N 303.745 3.286 0 40 DGAB Cc1c(NC(=O)c2ccc(C(C)C)cc2)cccc1-n1cnnn1 9154102 GZOYSASOZAKDDQ-UHFFFAOYSA-N 321.384 3.346 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)Cc2ccsc2)cc1 7926915 WSARHQGWCHPYEV-UHFFFAOYSA-N 302.399 3.021 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccc(F)cc1 8184774 WBCBBKURDAISTA-OAHLLOKOSA-N 317.364 3.377 0 40 DGAB CC[C@@H](C)n1ncc2c(C(=O)Nc3cc(C)on3)cc(C)nc21 69379666 AWRUPVGTQWSXDW-SNVBAGLBSA-N 313.361 3.259 0 40 DGAB CNC(=O)c1ccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 71844088 ZTSSDKJKCXIPCL-MRXNPFEDSA-N 323.396 3.068 0 40 DGAB CC(C)N1CCC(N[C@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 97082162 MPZYUJICJIIXGD-RBUKOAKNSA-N 319.468 3.033 0 40 DGAB CN(C(=O)Nc1cccc(F)c1)[C@@H](CCO)c1ccccc1 75533383 WQFGKTZNORWXSS-INIZCTEOSA-N 302.349 3.413 0 40 DGAB CCOc1ccc(N2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nn1 76017820 WDKDAVAQASXINQ-CYBMUJFWSA-N 323.400 3.136 0 40 DGAB CC[C@@H](CNc1ccc(C(=O)N(C)C)cn1)Oc1ccccc1 95395977 YAPSRDQBDHVUBT-HNNXBMFYSA-N 313.401 3.053 0 40 DGAB C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc2[nH]ncc2c1 95405832 UABCDYDWRJFFFJ-UGSOOPFHSA-N 321.380 3.165 0 40 DGAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc(F)c(F)c1 95430454 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Cc1ccc(SCC(=O)NCCOc2ccc(F)cc2)cc1 43756227 YEEFBUNCWZXAMV-UHFFFAOYSA-N 319.401 3.421 0 40 DGAB Cc1ncoc1C(=O)N1CCCCC[C@H]1c1noc(C(C)C)n1 329573428 VDAUUPRAURMONQ-LBPRGKRZSA-N 318.377 3.247 0 40 DGAB CCSc1nnc(NC(=O)Nc2ccccc2OC)s1 225770881 LZFJIUPOXQXJRB-UHFFFAOYSA-N 310.404 3.303 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CCCN(C(=O)C2CCCCC2)C1 41058382 AEKDQRBMNIGAFX-INIZCTEOSA-N 320.477 3.254 0 40 DGAB Cc1nc(CC(=O)NC[C@@H](C)Oc2ccc(Cl)cc2)cs1 81348312 HIIDTHVVCSMGOD-SNVBAGLBSA-N 324.833 3.231 0 40 DGAB CCS(=O)(=O)CCCSc1ncc(-c2ccccc2)o1 95401156 QVBWECXRKFDQJG-UHFFFAOYSA-N 311.428 3.259 0 40 DGAB c1cc(-c2noc([C@H]3CCCN3C3CCOCC3)n2)cs1 97103459 FDTKMWGZGAKDFS-CYBMUJFWSA-N 305.403 3.114 0 40 DGAB C[C@H](NC[C@@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 96490992 CZNAUZLKYAURTG-KBPBESRZSA-N 302.418 3.112 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)c1 96658880 LPXCHIAZCVAVHM-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)cc2-n2cccc2)cn1 585081292 ZIPVAOWWQRQRAI-LSDHHAIUSA-N 324.359 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Cc1nnc([C@@H]2CCCN(C(=O)Nc3cccs3)C2)s1 38666568 YRKKPTXALXQCCN-SNVBAGLBSA-N 308.432 3.320 0 40 DGAB Oc1c(F)c(Br)c(F)c(F)c1Br 2386420 VSDBPLLKPZOQSJ-UHFFFAOYSA-N 305.875 3.335 0 40 DGAB CCCCCCOc1ccc(C(=O)NCCCN(C)C)cc1 5614785 ITLNEIBBJCHEMQ-UHFFFAOYSA-N 306.450 3.327 0 40 DGAB Cc1ccc(C(C)C)c(OCc2nc3ccccc3c(=O)n2N)c1 5698298 WMZKCFJNLMFSNV-UHFFFAOYSA-N 323.396 3.121 0 40 DGAB CCOCCCNC(=O)c1ccccc1OCc1ccccc1 13687220 QZGYBLCNPAYVCA-UHFFFAOYSA-N 313.397 3.422 0 40 DGAB Cc1ccc(CNCc2cc3ccc(C)cc3n3nnnc23)cc1 13998152 YLRQXYIELCWGJY-UHFFFAOYSA-N 317.396 3.184 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccc(C)o1 19216549 SYCJOCUBCPRUJS-XJKSGUPXSA-N 308.385 3.201 0 40 DGAB Cn1c(CN2CCC[C@H](c3nccs3)C2)nc2ccccc21 157023549 TZYYPKNPMAAVFZ-ZDUSSCGKSA-N 312.442 3.409 0 40 DGAB CNC1CCC2(CC1)CCN(C(=O)OCc1ccccc1)C2 710676981 ZQAAEEGHASROED-UHFFFAOYSA-N 302.418 3.177 0 40 DGAB CC(=O)c1ccccc1NC(=O)COC(=O)CC1CCCCC1 6886339 VNRNIXHVCOJEQQ-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 61736 VWCQAZFZWPMLER-VUWOVVPOSA-N 323.392 3.343 0 40 DGAB COCc1ccccc1C(=O)NCc1cccc(OC(F)F)c1 50366611 YCDAEUNUFBCNJU-UHFFFAOYSA-N 321.323 3.364 0 40 DGAB CCCC(C)(C)NC(=O)c1nn(C(C)C)c(=O)c2ccccc12 50498787 HBUPWHJTFDTLID-UHFFFAOYSA-N 315.417 3.286 0 40 DGAB O=Cc1nc(Br)c(-c2cc(Cl)ccc2F)[nH]1 1857794633 FBAUTAIUUCQUNI-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB CCOc1ccc(C(=O)Nc2nnc(C(F)(F)F)s2)cc1 268371 BVRYEYQCDIFQJB-UHFFFAOYSA-N 317.292 3.208 0 40 DGAB Cc1cc(Nc2ccc(N3CCC(C)CC3)cc2)n2ncnc2n1 373416 NVVXSRKVXGWHBX-UHFFFAOYSA-N 322.416 3.413 0 40 DGAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C1CC1 410355 DPBCKEZFTBMMDM-UHFFFAOYSA-N 320.393 3.045 0 40 DGAB CCn1c(SCC(=O)Nc2ccc(C)cc2)nnc1C(C)C 411074 ICTMJPJDPDIRML-UHFFFAOYSA-N 318.446 3.461 0 40 DGAB CCCCOc1cc(S(=O)(=O)NCC(C)C)ccc1Cl 36638899 BDVTYMGBKVTSNY-UHFFFAOYSA-N 319.854 3.453 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(F)cc(F)c1 16129376 FGDJYMOMVQZLBT-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccccn1 20572982 FQDTWSXTENJSPB-HNNXBMFYSA-N 304.777 3.209 0 40 DGAB COc1ccccc1OCC(=O)NCc1ccc(Cl)cc1 3383417 GCRYPVQTIICNSW-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cc(=O)oc3ccccc23)cc1 20762555 AUKBTVDQAPHPLM-DHZHZOJOSA-N 321.332 3.454 0 40 DGAB biogenic O=c1c(-c2nc(-c3ccccc3)no2)c[nH]c2ccc(F)cc12 20739420 XFFJKLVJACHGQV-UHFFFAOYSA-N 307.284 3.384 0 40 DGAB COc1ccccc1CNn1c(-c2ccccc2)n[nH]c1=S 8496031 FJJNNFQYAPHIIW-UHFFFAOYSA-N 312.398 3.360 0 40 DGAB O=C(c1ccc(Cl)c(N2CCCC2=O)c1)N1CCCCC1 7911453 PNSMMGRIIZDASE-UHFFFAOYSA-N 306.793 3.093 0 40 DGAB Cc1ccc([C@H](NC(=O)c2cccc(NC(N)=O)c2)C2CC2)cc1 32865755 IKZRAGCJZLWLBP-KRWDZBQOSA-N 323.396 3.367 0 40 DGAB O=S(=O)(NCCSC1CCCC1)c1cccc(Cl)c1 32825859 PIJSKSPENYROGZ-UHFFFAOYSA-N 319.879 3.294 0 40 DGAB Cc1ccc(C(=O)Nc2ccncc2)cc1NC(=O)c1ccco1 9512494 AAXRYHPYPRGYCZ-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB c1ccc(-c2nnc(COc3ncnc4sccc34)o2)cc1 2645378 PAIBLSDGNZITNQ-UHFFFAOYSA-N 310.338 3.320 0 40 DGAB Cc1ccccc1OC[C@H](O)CN1CCc2sccc2[C@@H]1C 52816634 JBMRHORQILGVDY-LSDHHAIUSA-N 317.454 3.416 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 33228843 VBBFUZDNLZQKBN-LLVKDONJSA-N 320.414 3.312 0 40 DGAB Cc1ccc2nc(N[C@@H](C)C(=O)O)nc(-c3ccccc3)c2c1 520142 CPURVBANMAQXJZ-LBPRGKRZSA-N 307.353 3.490 0 40 DGAB COc1ccc(CCNC(=O)CCc2ccsc2)cc1OC 7988512 FUDRNJFBKHTMKY-UHFFFAOYSA-N 319.426 3.057 0 40 DGAB Cc1csc([C@@H](NC(=O)c2cc(C3CC3)on2)C2CC2)n1 89705409 HOGVSFUVRICXMU-ZDUSSCGKSA-N 303.387 3.198 0 40 DGAB CN(c1ccccc1)c1ccccc1C(=O)NC1=NCCS1 42195204 WZXWKVKPAWMBQM-UHFFFAOYSA-N 311.410 3.287 0 40 DGAB O=[N+]([O-])N(Cl)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100928999 AVRGXCCHOWRYSY-LGUIWLBCSA-N 309.591 3.120 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccc(F)cc2)Cc2ccc(Cl)cc21 8020608 RREAESQCOYAFMF-CQSZACIVSA-N 319.719 3.199 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccsc1)c1cccc(F)c1 24015087 ZFIZTZLAZANJQX-AWEZNQCLSA-N 315.373 3.140 0 40 DGAB O=C(Nc1nc2ccccc2s1)N[C@H]1CCN2CCCC[C@H]12 47104882 IYTOJXVQFBETDF-WCQYABFASA-N 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C[C@@H](NC(=O)CCc1cccnc1)c1ccc(-n2ccnc2)cc1 12582244 WBXNMSBORQDWGC-OAHLLOKOSA-N 320.396 3.077 0 40 DGAB CCn1ccnc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 69740346 SRDAFJKVZMBRHU-KRWDZBQOSA-N 322.368 3.263 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1C 3443228 DICMVIOHXIPHFF-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CCn1cc(NC(=O)CCc2nc(C)c(-c3ccccc3)o2)cn1 69778198 ZFYONMHGGASDSY-UHFFFAOYSA-N 324.384 3.438 0 40 DGAB CCCCC1=N[C@H]2Sc3c(NN)ncnc3[C@@H]2C2=C1CCC2 6309827 QZTDZQSWEYDDAF-LRDDRELGSA-N 315.446 3.403 0 40 DGAB CCCO[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 65495850 YMNFOWKLARZLQK-HNNXBMFYSA-N 300.402 3.128 0 40 DGAB CSc1ccc(CN(C)[C@H](C)C(=O)Nc2cc(C)on2)cc1 14142137 RVTMXDNYPIOMAC-GFCCVEGCSA-N 319.430 3.164 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1 69517933 KKRNCNMPIUJJMM-ZWKOTPCHSA-N 300.446 3.013 0 40 DGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCCc2ccccc21 5699664 KXHBHRQWAIXDRK-UHFFFAOYSA-N 309.337 3.106 0 40 DGAB O=C(CN(Cc1ccco1)c1cccc(F)c1)NCC1CCC1 66500811 WVSWEXTXLSYUII-UHFFFAOYSA-N 316.376 3.342 0 40 DGAB COCCCCNC(=O)Nc1cccc(-c2ncc(C)o2)c1 66975449 PVVZCESBLYIAAB-UHFFFAOYSA-N 303.362 3.198 0 40 DGAB Cc1cccc(C(=O)OCC(=O)c2ccc3c(c2)CCC3)c1O 4922624 BCDAFTXAORCWCW-UHFFFAOYSA-N 310.349 3.229 0 40 DGAB Cc1ccc(OCCN(C)S(=O)(=O)c2ccc(C)cc2)cc1 15364714 RFCMAGXJSFEZNS-UHFFFAOYSA-N 319.426 3.003 0 40 DGAB Cc1ccc(OCC(=O)N2CCC(C)CC2)c2c1[C@@H](C)CC2=O 8767003 RISUMKCBKZIXLN-AWEZNQCLSA-N 315.413 3.322 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)Nc2ccccc2)o1 7195766 ICMMFZAJDKFQBB-UHFFFAOYSA-N 315.354 3.369 0 40 DGAB COC(=O)[C@H](C)Sc1nnc(Nc2cccc(F)c2)s1 7576951 NJKQXNCASDHPHE-ZETCQYMHSA-N 313.379 3.074 0 40 DGAB Cc1cc(C(=O)CSc2cccc[n+]2[O-])c(C)n1C1CC1 7507480 BJDHHCJWZSYLNA-UHFFFAOYSA-N 302.399 3.048 0 40 DGAB CC(C)Cc1nnc2sc(-c3ccccc3-c3ncc[nH]3)nn12 71440224 NTWRNVIXOGWSHA-UHFFFAOYSA-N 324.413 3.441 0 40 DGAB Cc1cccc(C)c1O[C@@H](C)C(=O)Nc1cc(N)ccc1F 19736639 BRZHOWPFTOZRGK-LBPRGKRZSA-N 302.349 3.431 0 40 DGAB CC(C)c1nc([C@H]2CCCN2c2cnc3ccccc3n2)no1 75573025 ATRCZWWRYNOHRL-CQSZACIVSA-N 309.373 3.478 0 40 DGAB C[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 9496207 UIKKTNIQOJEKEE-JTQLQIEISA-N 320.801 3.140 0 40 DGAB CCCOc1ccccc1C(=O)NC[C@H](c1ccco1)N(C)C 9547729 CIJNUOFNNJRLOE-OAHLLOKOSA-N 316.401 3.101 0 40 DGAB Cc1nc(S[C@H]2CCN(c3ccccc3F)C2=O)oc1C 71899878 FFUXQICDFKQUNB-ZDUSSCGKSA-N 306.362 3.328 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 71882223 LQTXGYFNSLUSRN-ZIAGYGMSSA-N 313.405 3.222 0 40 DGAB C[C@@H](CNC(=O)CCc1ccc(C(=O)O)cc1)c1ccsc1 97017802 GMOLPCGKOSLSMU-LBPRGKRZSA-N 317.410 3.299 0 40 DGAB CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 97233925 WXHQVTDONXKUOQ-UONOGXRCSA-N 323.412 3.271 0 40 DGAB Cc1c(C(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cnn1C 95427288 WECXMDCCMBOFPG-VQIMIIECSA-N 309.413 3.270 0 40 DGAB CSc1ccc(CNCc2cc(C(N)=O)cs2)cc1C 95427565 ZFIGQUVVIULTJN-UHFFFAOYSA-N 306.456 3.167 0 40 DGAB CC(=O)N[C@@H](C)C(=O)NCC1(C2CCCCC2)CCCCC1 95980192 CKJKKNWVDORZOG-AWEZNQCLSA-N 308.466 3.158 0 40 DGAB Cc1cc2ncnc(N3CCC[C@H]4CN(C)CC[C@@H]43)c2cc1C 95945045 FBRXTDRODTUKNO-YJBOKZPZSA-N 310.445 3.167 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COc2ccc(F)cc2N)CC1 67800882 NBUHZNITPNUFIE-UHFFFAOYSA-N 324.396 3.434 0 40 DGAB Cc1ccc(NC(=O)CN(C)Cc2ccc(Cl)s2)nc1 60378151 PKBLBQIGVUNQDA-UHFFFAOYSA-N 309.822 3.175 0 40 DGAB Cc1cc(CN2CCC(c3ccc4cccnc4n3)CC2)on1 653805053 AGHNDFCCIHIAIH-UHFFFAOYSA-N 308.385 3.306 0 40 DGAB O=C(O)[C@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 37362068 SJHIMYIMGYLWCM-LBPRGKRZSA-N 303.280 3.197 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)CCc2csc(C)n2)cc1 79039889 XYJNNYXPMUCADW-CYBMUJFWSA-N 318.442 3.276 0 40 DGAB CC(C)(C)[C@H](NC(=O)CSc1ccncc1)C(F)(F)F 73133603 NWXHKGMICDPJAB-NSHDSACASA-N 306.353 3.267 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)NCCCc1ccccc1 70635880 SKNWRQLIKDNXSS-HNNXBMFYSA-N 318.442 3.022 0 40 DGAB O=C(Cc1cccs1)NC[C@H](O)c1cccc2ccccc12 70635944 OBDLRYUNCZIKSY-KRWDZBQOSA-N 311.406 3.294 0 40 DGAB CC(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 72363483 RBJQBRGAMWRVTL-OAHLLOKOSA-N 310.401 3.021 0 40 DGAB CCc1ccc(CCC(=O)N2CC(=O)N(C)c3ccccc32)cc1 74597412 VYBJSENIMKEKIV-UHFFFAOYSA-N 322.408 3.191 0 40 DGAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1Cl 30287884 JODVYJJXSUOQOE-UHFFFAOYSA-N 317.838 3.302 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H](c1ccccc1)n1cccc1 62021900 YPDLDYSFYYIPJF-GOSISDBHSA-N 320.348 3.445 0 40 DGAB CCN(CC)S(=O)(=O)c1cccc(COc2ccccc2)c1 72264760 JHBZFZBQCNOHTN-UHFFFAOYSA-N 319.426 3.296 0 40 DGAB Cc1ccc([C@H]2CCN(C(=O)c3cnc4c[nH]nc4c3)C2)c(C)c1 1568640646 HJITZVMVKCLIBW-AWEZNQCLSA-N 320.396 3.204 0 40 DGAB CNC(=O)c1cc(N)ccc1Nc1ccc(Br)cc1 225471610 SJBMOPYXEHQJCK-UHFFFAOYSA-N 320.190 3.135 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H]1CCCc2ccccc21 225594692 CDCDPMXJCBIADG-MRXNPFEDSA-N 319.401 3.490 0 40 DGAB C[C@H](Cc1nc(C(F)(F)c2ccc(F)cc2)no1)n1ccnc1 570455600 UGAKYHWCLZCCQD-SNVBAGLBSA-N 322.290 3.349 0 40 DGAB Cc1cc(C)cc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)c1 224298158 GZIDTQOOPGCBMM-UHFFFAOYSA-N 313.405 3.420 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C 222771110 RSXHJKUBJQPHNN-CABCVRRESA-N 300.431 3.019 0 40 DGAB CCNC(=O)c1cc(N)ccc1N[C@H](C)CCc1ccccc1 225495814 UVFMQOHWWLABDY-CQSZACIVSA-N 311.429 3.452 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)CCCc1ccccc1 224293834 MYXAVBKMAYUWAA-UHFFFAOYSA-N 312.417 3.121 0 40 DGAB COCCC(=O)Nc1cc(Br)c(F)cc1Cl 81664352 GYQBEBBDIUWBNB-UHFFFAOYSA-N 310.550 3.217 0 40 DGAB Cn1ccc(NC(=O)N2CC[C@@H](CSc3ccccc3)C2)n1 96434424 RGQDBAXWIGRAMR-CYBMUJFWSA-N 316.430 3.066 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C[C@@H](C)O1 96183944 IPZWMMWCCJZHGX-TXEJJXNPSA-N 319.332 3.460 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)c1 96047573 RUBPDDZDTSPLSD-FUHWJXTLSA-N 316.376 3.264 0 40 DGAB O=C(Nc1ccsc1Cl)N1CCC[C@H](CCO)CC1 331427711 IQCMUEUCEAYEAD-JTQLQIEISA-N 302.827 3.418 0 40 DGAB O=C(c1cccc(F)c1)N1CCCN(Cc2ccsc2)CC1 96489661 WXSSQRSDCVAKMB-UHFFFAOYSA-N 318.417 3.235 0 40 DGAB c1ccc(CN2CCO[C@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 96042160 UCZFMYLEMUBIAL-SLFFLAALSA-N 324.424 3.030 0 40 DGAB c1ccc2oc(-c3nnc4sc(-c5cnccn5)nn34)cc2c1 96194008 OZLUZNQTUBTFGQ-UHFFFAOYSA-N 320.337 3.056 0 40 DGAB CC(C)[C@@H]1OCC[C@H]1c1nc(COc2ccccc2F)no1 252487728 IAUGYMBPVNNJRI-ABAIWWIYSA-N 306.337 3.316 0 40 DGAB COc1ccc(OCc2noc(Cc3csc(C)n3)n2)cc1 390833245 FDSWFYXWWMJWHK-UHFFFAOYSA-N 317.370 3.013 0 40 DGAB Cc1ccc(C(=O)N2CCC(Oc3ccncc3)CC2)cc1F 575413819 PFEAVCVCPYXWJM-UHFFFAOYSA-N 314.360 3.213 0 40 DGAB CN(Cc1ccccn1)c1nc(-c2ccncc2)nc2c1CCC2 66810230 URYJXXJOVCNYOP-UHFFFAOYSA-N 317.396 3.059 0 40 DGAB CN(CC1CCCCC1)C(=O)c1cn(C)nc1-c1cccnc1 69328231 DYUMVGDDYMLXLR-UHFFFAOYSA-N 312.417 3.134 0 40 DGAB O=C(O)Cc1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98210725 PCRWHOPHUPAZKY-SECBINFHSA-N 318.169 3.117 0 40 DGAB CC(=O)Nc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 35937 BWKNVAATTFZSEZ-BOPFTXTBSA-N 320.348 3.298 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2cc(-c3ccccc3)[nH]n2)no1 29242948 WBAGOSLGDGWPES-QGZVFWFLSA-N 322.368 3.350 0 40 DGAB COc1ccc([C@H]2COc3c(ccc(O)c3C)C2)cc1OC 5758749 OFRBAEIYLSMBIS-CQSZACIVSA-N 300.354 3.437 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167876 KLDPBNCNYXVLKE-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CCOCc1nnc(NC(=O)c2cc(C)oc2C2CC2)s1 13997849 UMUOQARVILFPLA-UHFFFAOYSA-N 307.375 3.106 0 40 DGAB Cc1cc(C)n(C2CCN(Cc3c(C)nc4ccccn34)CC2)n1 19659049 WPTOUWKXCCRTGA-UHFFFAOYSA-N 323.444 3.293 0 40 DGAB c1ccc(N2C[C@@H]3[C@H](CCN3c3nccc4ccccc34)C2)nc1 1889208826 SWECFVALNGKOFS-SJLPKXTDSA-N 316.408 3.345 0 40 DGAB C[C@@H](NC(=O)C1CCOCC1)c1cccc(Br)c1 23111918 DMBVZDOANPJPIK-SNVBAGLBSA-N 312.207 3.053 0 40 DGAB O=C(OC1CCOCC1)N1CCS[C@H](c2ccco2)CC1 219423292 MEIZPJXIAIQZCL-AWEZNQCLSA-N 311.403 3.075 0 40 DGAB O=C(/C=C/c1ccccc1)NC(=S)Nc1cccnc1Cl 248664 HTQKJWCZGNOEMM-CMDGGOBGSA-N 317.801 3.261 0 40 DGAB Cc1ncc(CN[C@H](Cc2ccsc2)c2nccs2)cn1 19287270 VAMTULGGDPTALO-CQSZACIVSA-N 316.455 3.377 0 40 DGAB COc1ccc2cc(C(=O)NCCc3ccccc3F)[nH]c2c1 40058772 RBGSLXWTHXXPDG-UHFFFAOYSA-N 312.344 3.288 0 40 DGAB CC(=O)[C@H](C)n1c(C)nc2sc3c(c2c1=O)CC[C@@H](C)C3 20157859 LNFLZOSTSSPKQG-BDAKNGLRSA-N 304.415 3.041 0 40 DGAB COC(=O)C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl 31377155 UCVKCKNZKUCYJG-SWLSCSKDSA-N 321.804 3.417 0 40 DGAB Cc1ccc(-c2nnc(CSc3nc(C)cc(N)n3)o2)cc1 31617144 QEDAZPTWVDBSIH-UHFFFAOYSA-N 313.386 3.018 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)OCC(C)C)s1 17206259 WASXKSDNVWDTOJ-UHFFFAOYSA-N 307.375 3.418 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1cccc(F)c1 40544237 RFWCEVKUJMCUEM-NSHDSACASA-N 311.316 3.367 0 40 DGAB O=C(NCc1cc(Br)cs1)Nc1cccnc1 40554039 XRSPYNZSVILAHR-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB CCOC(=O)Oc1ccc(C(=O)Oc2ccccc2)cc1OC 1747321 ZCQHTGHGGYBPDN-UHFFFAOYSA-N 316.309 3.450 0 40 DGAB Cc1nnc(NC(=O)CSc2c(Cl)cccc2Cl)o1 31840061 KRXAHAITNLQNTG-UHFFFAOYSA-N 318.185 3.416 0 40 DGAB CCOC(=O)c1ccc2nc(C(F)(F)F)nc(Cl)c2c1 2697099 PPCYXZBAINOFOT-UHFFFAOYSA-N 304.655 3.479 0 40 DGAB O=C(O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)(F)F 226832 LYZQKJPJPOCQQM-MNOVXSKESA-N 311.263 3.242 0 40 DGAB Nc1ncc(Br)nc1N1CCC[C@H]1c1ccccc1 6745287 LIWNTOVGDIQDSL-NSHDSACASA-N 319.206 3.163 0 40 DGAB Cc1ccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)cc1 2623213 QABWDPLQKFDYNW-HXUWFJFHSA-N 320.392 3.279 0 40 DGAB Cc1c(NC(=O)C2CCCCC2)c(=O)n(-c2ccccc2)n1C 383566 VBMAEYDFKNNZAD-UHFFFAOYSA-N 313.401 3.003 0 40 DGAB Cc1c(C(=O)Nc2ccccc2)nnn1-c1cccc(Cl)c1 2692772 FPJVOZZDHSRHSM-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CC(C)Oc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c(F)c1 52268031 RIBLLNUYFQTYDI-VXGBXAGGSA-N 310.369 3.254 0 40 DGAB O=C(OCc1ccccn1)c1c2c(nc3ccccc13)CCC2 8194479 SBCVJRKISORCPF-UHFFFAOYSA-N 304.349 3.476 0 40 DGAB N[C@@H](CCSC(c1ccccc1)c1ccccc1)C(=O)O 8649827 MXSHINBCSMTRAF-HNNXBMFYSA-N 301.411 3.311 0 40 DGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1 12085353 QXBLHRKFHSBNGK-LLVKDONJSA-N 310.319 3.081 0 40 DGAB O=C(c1ccccc1F)N1CCN(c2ccc(Cl)cc2)CC1 2747539 VWNZWRYVYZUKDK-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CC[C@@H]2CCCC[C@@H]2C1 21972751 LEYHMIKPSSGOAJ-JKSUJKDBSA-N 315.413 3.387 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1C 578766 ANYZXIYQZZLANR-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2nc(N)nn21 531319 YIKOHTAXOUEZNT-HUUCEWRRSA-N 321.384 3.015 0 40 DGAB C[C@@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H](C)O1 22009098 ZOTSLULDLOHCRD-NXEZZACHSA-N 317.216 3.041 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 71924325 HNHMDEAUOXUVTK-NVXWUHKLSA-N 306.365 3.462 0 40 DGAB C[C@@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccccc1F 22226510 ABXGLKIXJJOMHT-FIKIJFGZSA-N 305.374 3.054 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(CC)cc2)C1 33612881 UWMLKLFIJICHCS-AWEZNQCLSA-N 304.390 3.056 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cn1 22412852 NEKNPBHGJVLPEI-CQSZACIVSA-N 306.369 3.067 0 40 DGAB O=C(CNCc1ccc(Cl)cc1)N1CCCc2ccccc21 89858428 DEHFLHNPLRZKOH-UHFFFAOYSA-N 314.816 3.409 0 40 DGAB CC1=NN(c2ccc(C)cc2)C(=O)[C@@H]1C(=O)Cc1ccc(F)cc1 103375134 CBSKAEAQOGMACU-SFHVURJKSA-N 324.355 3.285 0 40 DGAB Cc1ccc(N)c(NC2CCN(C(=O)OC(C)(C)C)CC2)c1 52507956 XCYREHXTZGVYLL-UHFFFAOYSA-N 305.422 3.389 0 40 DGAB C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 105646940 WBOVERIFEQOJAH-WBTNSWJXSA-N 309.413 3.427 0 40 DGAB Cc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)cc1C 24250458 ARKVJGBYSNFLMK-UHFFFAOYSA-N 302.418 3.137 0 40 DGAB CC(C)CC(=O)Nc1cc2c(cc1Br)OCCO2 24945363 ZDCQUODZLNXUNJ-UHFFFAOYSA-N 314.179 3.205 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCc3ccccc3C2)c1C 34879014 VNHGEHIVLHNRHC-UHFFFAOYSA-N 310.397 3.075 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccccc1C 22510279 WXXOMSOPBYNAJU-GOSISDBHSA-N 313.397 3.477 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1cc(Cl)cn1C 24085706 ADLHLLCZRAKBKA-UHFFFAOYSA-N 306.793 3.268 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@H](C)c1ccncc1 108087535 HYPASAYFPYCQCY-INMHGKMJSA-N 303.450 3.015 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cc1 108105592 ZHDKJNOCEIABIG-RUAUBTSSSA-N 320.458 3.479 0 40 DGAB CCc1ncncc1C(=O)N[C@H](C)c1ccc(OC(C)C)cc1 44485269 DEMGFVSGQBGVJZ-CYBMUJFWSA-N 313.401 3.317 0 40 DGAB COc1cc(CNC(=O)[C@@H](C)SCc2ccccc2)ccn1 44465150 VDASGMFBRWQXRC-CYBMUJFWSA-N 316.426 3.028 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)Cc1c(C)nn(C)c1C 12600364 OWZCVJRNVFJNBI-UHFFFAOYSA-N 321.808 3.189 0 40 DGAB CN(Cc1nnnn1C1CC1)c1ccc(Oc2ccccc2)cc1 58161182 KIZLDWBVTNUNTQ-UHFFFAOYSA-N 321.384 3.437 0 40 DGAB c1ccc(-c2n[nH]c(SCc3nc4ncccc4[nH]3)n2)cc1 58250508 JLKXHTGASQGMPR-UHFFFAOYSA-N 308.370 3.035 0 40 DGAB CCc1nc(CN(C)C(=O)[C@@H](C)OCc2ccccc2)cs1 58264385 RWIKLKCSUKXAJM-CYBMUJFWSA-N 318.442 3.269 0 40 DGAB CC[C@H](C(=O)N1CCC[C@H](c2nc(C)no2)C1)c1ccccc1 44979318 GLRFBWMMZUMEQB-HOTGVXAUSA-N 313.401 3.278 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)Nc1nnc(C2CC2)s1 58513382 PRWSIIGNZUGJHB-UHFFFAOYSA-N 316.386 3.019 0 40 DGAB CCOC(=O)c1ccsc1NC(=O)COc1cccc(F)c1 12790936 PRXPQIADYWIEON-UHFFFAOYSA-N 323.345 3.081 0 40 DGAB C[C@@H](CNC(=O)c1cccc(F)c1)N1CCc2ccccc2C1 45464870 CQZLKLGFDGROHO-AWEZNQCLSA-N 312.388 3.002 0 40 DGAB CCSCCC(=O)NC[C@@H]1CCCN(Cc2ccccc2)C1 62229899 RDHMRSQCOVQHPW-KRWDZBQOSA-N 320.502 3.158 0 40 DGAB COc1cc(NC(=O)CSc2ccccc2)cc(OC)c1 3604060 CXOYALMPLGPTGJ-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB COc1ccc(Cl)cc1CN1CCn2c(nnc2C(C)C)C1 70018306 FLGVQOLDFLPCND-UHFFFAOYSA-N 320.824 3.079 0 40 DGAB CN(C)c1cccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 38720513 DINWNUDRKGJERX-UHFFFAOYSA-N 306.369 3.395 0 40 DGAB O=C(Nc1ncccc1O)c1csc(-c2ccccc2F)n1 63665744 MGKKLTONHYPLFY-UHFFFAOYSA-N 315.329 3.302 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2cccc3c2OCCCO3)c1 69491644 RXEKBOQGXVCYPN-GJZGRUSLSA-N 315.417 3.092 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1c(F)cccc1F 408616124 WEFHOXWNCZCAMU-UHFFFAOYSA-N 318.323 3.357 0 40 DGAB COCCCNc1nc(-c2ccccc2O)nc2ccccc12 5100879 IACNWRSZMCWPAR-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 4484407 AEFDOSXKBNPNIU-YVEFUNNKSA-N 313.353 3.252 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccc[nH]1 65548622 HLCVYJSBZDAAKJ-GOSISDBHSA-N 310.397 3.246 0 40 DGAB COc1ccncc1NC(=O)c1ccc(-c2ccco2)nc1C 69533725 OHWQINDWLRJULT-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(-c3nc(C(C)C)no3)cc2)cn1 69571277 UYSRDKPDGAKSCX-UHFFFAOYSA-N 323.356 3.211 0 40 DGAB CC(C)Sc1ccc(Cl)cc1NC(=O)CCn1cncn1 69969982 OJKONVOCZVODHN-UHFFFAOYSA-N 324.837 3.461 0 40 DGAB CCc1nnc(NC(=O)CSc2ccc(C)cc2C)s1 5509169 GITGCPOSASLLMB-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@@H](CC(C)C)n2ncnc2N1 6668929 FUTJUJMJRHBJLK-CQSZACIVSA-N 311.389 3.204 0 40 DGAB COCc1ccc(C(=O)Nc2cc(OC)ccc2OC)cc1 8750074 BXIHXIWFNCOIPW-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)NC1CCCCCC1 8756297 KUUNDJAZBPLICN-UHFFFAOYSA-N 303.402 3.229 0 40 DGAB NC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(Cl)c1 64604805 OKVVYWAMMQQOCT-UHFFFAOYSA-N 314.772 3.032 0 40 DGAB Cc1ccc2[nH]c(S[C@@H](C)C(=O)Nc3cc(C)on3)nc2c1 7061207 UIVWBLTWBWKNLT-JTQLQIEISA-N 316.386 3.287 0 40 DGAB O=C(NCCCOC[C@@H]1CCCO1)Nc1ccc(Cl)cc1 8727120 CYEXBTFTOBPTKB-AWEZNQCLSA-N 312.797 3.047 0 40 DGAB Fc1ccc(-c2cc(-c3nc(-c4ccncc4)no3)n[nH]2)cc1 7424966 CKIFKJFIKPNKMU-UHFFFAOYSA-N 307.288 3.328 0 40 DGAB CC(=O)CCn1cnc2scc(-c3ccc(C)s3)c2c1=O 18959924 FBBKDKBVUOMEMD-UHFFFAOYSA-N 318.423 3.474 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)s1 9225643 NXGZTUVXUFHWBE-SSDOTTSWSA-N 314.461 3.039 0 40 DGAB C[C@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)n[nH]1 9316243 JFGCTVWCZSSZAK-JTQLQIEISA-N 322.459 3.026 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2cn3cc(C)ccc3n2)C1(C)C 71820086 HUQQYWJUYYOAFB-RDJZCZTQSA-N 311.429 3.497 0 40 DGAB C[C@H](c1ccc(F)c(F)c1)N1CCn2c(nnc2C2CC2)C1 71880308 ODJIQEMNYQDINF-SNVBAGLBSA-N 304.344 3.011 0 40 DGAB COc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1OC 408815160 GWRPYMNKEHYZAV-POHAHGRESA-N 313.762 3.023 0 40 DGAB Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1C[C@H]1c1ccco1 84185637 JDPJHWSFDPCHEO-CHWSQXEVSA-N 309.325 3.380 0 40 DGAB CCOCCCCNC(=O)Nc1cccc2ccc(C)nc12 72285071 GDZQOITUMDHFKM-UHFFFAOYSA-N 301.390 3.481 0 40 DGAB Cc1cccnc1[C@@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C 72285461 FVFZQZJWNUPJGE-SJORKVTESA-N 310.397 3.207 0 40 DGAB Cc1nc(CNC(=O)N(C)C[C@H](C)c2nccs2)c(C)s1 97086410 MAYSOFFTZMLPTH-VIFPVBQESA-N 324.475 3.162 0 40 DGAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)[C@H]2CCCO2)c1 97165258 GDPGHXTYJINOST-FUHWJXTLSA-N 324.380 3.445 0 40 DGAB CCCc1noc(CCCC(=O)N2C[C@@H](C)c3ccccc32)n1 77216459 SMVWGLAWUJFASN-CYBMUJFWSA-N 313.401 3.495 0 40 DGAB O=C(Nc1cc(C2CC2)nn1-c1ccccc1)C1CCOCC1 84569499 JCOFFRMUGFIYDI-UHFFFAOYSA-N 311.385 3.115 0 40 DGAB COC(=O)c1ccoc1CNC(C)(C)c1nc(C)c(C)s1 72865535 ICWNAOXHRZHQKG-UHFFFAOYSA-N 308.403 3.164 0 40 DGAB O=C(Cc1ccon1)Nc1ccc(Oc2cccc(F)c2)nc1 72968597 JYHZZFLGOAJVIC-UHFFFAOYSA-N 313.288 3.182 0 40 DGAB Cc1ccc(NC(=O)c2ccoc2C)cc1O[C@@H](C)C(=O)O 95464502 IRYWCTGISWEAJK-NSHDSACASA-N 303.314 3.001 0 40 DGAB O=C(O)C1(NCc2cc(-c3ccc(Cl)cc3)no2)CCCC1 95428033 SODNSKFSWOHKBB-UHFFFAOYSA-N 320.776 3.482 0 40 DGAB COCc1cc(C(=O)N2CCC(c3ccccc3C)CC2)no1 95403521 KFKHFVDWHKOBQX-UHFFFAOYSA-N 314.385 3.149 0 40 DGAB C[C@H](Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCC1 95439977 CMWFNNAHHVDUOT-CYBMUJFWSA-N 309.837 3.188 0 40 DGAB CC(C)SCc1cccc(NC(=O)N[C@H](C)c2nc[nH]n2)c1 95995570 OFNUCEPVDWFXST-LLVKDONJSA-N 319.434 3.329 0 40 DGAB O=C(Nc1cc(-c2ccncc2)n[nH]1)[C@H]1CSc2ccccc21 95960283 SXMHQXSRQPIBQX-ZDUSSCGKSA-N 322.393 3.300 0 40 DGAB CCC1CCC(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)CC1 408707682 LSCIKRJYSGYHKP-PCKAHOCUSA-N 314.429 3.125 0 40 DGAB C[C@@H](NC(=O)c1ccco1)C(=O)OCc1cccc2ccccc12 39222372 SKQWBCZTHTUSLM-CYBMUJFWSA-N 323.348 3.295 0 40 DGAB CC(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])c1ccccc1 3956995 IMTAQIPVTJOORO-UHFFFAOYSA-N 300.274 3.339 0 40 DGAB biogenic COCc1cccc(NC(=O)N2CCOC[C@H]2CC(C)C)c1 77201574 QTLFSHPDKZEQQL-MRXNPFEDSA-N 306.406 3.112 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)Nc1ncccc1O 30516259 ZQIMLRFPABXYJB-UHFFFAOYSA-N 301.327 3.064 0 40 DGAB NC(=O)c1ccc2oc(-c3ccccc3Br)nc2c1 216791461 MSXGSCOMNHOMNF-UHFFFAOYSA-N 317.142 3.356 0 40 DGAB Cc1c(Cl)cc(NC(=O)[C@H]2CCCC(=O)N2C)cc1Cl 1570000000 QZDPEBKQKTZROX-GFCCVEGCSA-N 315.200 3.251 0 40 DGAB CCCn1ccc2ccc(NC(=O)NC3CCN(C)CC3)cc21 76328068 ITJGTOTUZNAGHE-UHFFFAOYSA-N 314.433 3.267 0 40 DGAB C[C@@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 32544662 QYXXTFPNBVPVMX-ZCFIWIBFSA-N 302.277 3.214 0 40 DGAB CC[C@H]1CCC[C@H](NC(=O)N(C)Cc2nccn2C(F)F)C1 77611235 PUUCVSSTBYEZIP-RYUDHWBXSA-N 314.380 3.388 0 40 DGAB CN(Cc1nc(-c2ccc(C(C)(C)C)cc2)no1)C(=O)C1CC1 225387102 WFFNPHXRGDUGNR-UHFFFAOYSA-N 313.401 3.403 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 222866902 LTUKRWJUVLSLCC-HOTGVXAUSA-N 314.458 3.111 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCCC(C)C 222755204 RQUGNELJACAHSW-MRXNPFEDSA-N 318.461 3.366 0 40 DGAB O=C(c1ccc(C2OCCO2)cc1)c1cc(F)c(F)c(F)c1 43212696 MGFAKKRCJUJNQC-UHFFFAOYSA-N 308.255 3.380 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1 138685011 CCHXFRAQAFGXOH-NXHRZFHOSA-N 309.413 3.158 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccc(C=O)cc2)C1 228910932 ODSIAVYKEFVCRN-HNNXBMFYSA-N 318.417 3.240 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1CC(O)=Nc2c1cnn2C 49547903 JVPOMWABJOENFY-CQSZACIVSA-N 321.384 3.346 0 40 DGAB COc1cccc(OCC(=O)NCCSC2CCCCC2)c1 222788133 WJLRLTZIRLWNJP-UHFFFAOYSA-N 323.458 3.256 0 40 DGAB Cc1cccc(OCC(=O)NCCSCc2ccccc2)c1 41008010 OSMFXTUQUOLDGW-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB CCCCOc1ncc(NC(=O)C2(OC)CCCC2)cc1C 225887724 ASZXGTVOCFZHGA-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CN(C)c1cccc([C@@H]2CCCN2C(=O)c2ccc(CN)cc2)c1 225475197 RMORULJZPBFKGT-IBGZPJMESA-N 323.440 3.189 0 40 DGAB CCOc1ccc(C(N)=O)cc1COc1ccc(Cl)cc1 224495656 DYZHLTITHPFMCS-UHFFFAOYSA-N 305.761 3.417 0 40 DGAB CN(Cc1ccncc1)C(=O)NCCc1c(F)cccc1Cl 96474255 ZSJZFSBNIVJQOY-UHFFFAOYSA-N 321.783 3.258 0 40 DGAB CC(C)(C(=O)NC[C@@H](O)c1ccsc1)c1ccccc1F 96475408 RYPDVUYGSXCVMF-CQSZACIVSA-N 307.390 3.015 0 40 DGAB C[C@@H](CC(=O)N(C)CC(F)F)C(=O)c1ccc(Cl)cc1 96495024 XBRVWBQCJCKEOA-VIFPVBQESA-N 303.736 3.272 0 40 DGAB Cc1cc(-c2noc(CCN)n2)cc(C)c1OCc1ccccc1 95095367 DCWNYDMUOQCARP-UHFFFAOYSA-N 323.396 3.434 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)c1n[nH]c2c1CCCCC2 96232644 PWSXKYXVPYXZMT-UHFFFAOYSA-N 315.421 3.325 0 40 DGAB CCOC[C@@H]1CCC2(CCN(Cc3ccsc3)CC2)N1C 96216230 UFAJMXHXEJEEKO-INIZCTEOSA-N 308.491 3.213 0 40 DGAB CCc1cnc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)s1 96461745 RUGJTQYITLBRON-NSHDSACASA-N 305.407 3.188 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(F)c(Br)c1 96435591 LBNLWXNUWINHHH-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccc(F)cc3)CC2)c2ccccc21 96052494 KXUBJJSDVBLGCS-UHFFFAOYSA-N 324.399 3.336 0 40 DGAB Cc1ccc2nc(C(=O)N3CCCC[C@H]3c3[nH]ncc3C)cn2c1 257299410 RPZHIIFYGQQAHQ-HNNXBMFYSA-N 323.400 3.042 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n1 257277318 NXMFMOYEAXSBAQ-MRXNPFEDSA-N 320.396 3.286 0 40 DGAB COc1cccc(N(C(=O)OC(C)(C)C)C2(C(=O)O)CC2)c1 265540642 LGFCQFOKUQANEY-UHFFFAOYSA-N 307.346 3.054 0 40 DGAB O=C(NCCc1ccccc1)NCc1ccc(-c2ccoc2)nc1 390831347 RIPUKGOLRIPALH-UHFFFAOYSA-N 321.380 3.384 0 40 DGAB O=C(c1ccc(Cl)s1)N1CCC[C@H](Oc2ccncc2)C1 575604638 BKBNKHHRCMBSOW-LBPRGKRZSA-N 322.817 3.480 0 40 DGAB Cc1ccc(NC(=O)[C@H](NC[C@@H]2CCCO2)c2ccccc2)cc1 57024242 NTFKDVRIEMNYBT-RBUKOAKNSA-N 324.424 3.443 0 40 DGAB CCCS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 57006423 MJPZQAIUAPHBSM-UHFFFAOYSA-N 322.405 3.136 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)Cn2cc(Cl)cn2)c1 64579860 ZKQOBAZNLFDPLR-OAHLLOKOSA-N 303.793 3.209 0 40 DGAB CC[C@](C)(CNC(=O)C1(c2cccc(F)c2)CCC1)[C@@H](C)O 89942063 DLIDSYVLTPKHMP-CXAGYDPISA-N 307.409 3.161 0 40 DGAB Fc1cccc(CN[C@H]2CCN(Cc3ccccc3)C2)c1F 84535902 FIKLJWUXORCDNP-INIZCTEOSA-N 302.368 3.329 0 40 DGAB Cc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2F)cs1 1615144345 RSRWOHQGZULWHM-IRXDYDNUSA-N 320.433 3.159 0 40 DGAB CCCCCC(CCCCC)NC[C@@H](C)OS(=O)(=O)O 5523838 SIRBYVQBZDEEJL-CYBMUJFWSA-N 309.472 3.313 0 40 DGAB CC(=O)Nc1scc2c1nnc1c(-c3ccccc3)c(C)nn12 5532317 OHAFJICTYLDUPI-UHFFFAOYSA-N 323.381 3.273 0 40 DGAB COc1ccc(CCNC(=O)CCC(=O)c2ccccc2)cc1 5704823 WMJPNAJCUTUYCI-UHFFFAOYSA-N 311.381 3.017 0 40 DGAB O=C(c1ccco1)N1CCC[C@H](c2[nH]ncc2-c2ccncc2)C1 12221838 UBMWHOPZURNJHQ-AWEZNQCLSA-N 322.368 3.085 0 40 DGAB COc1ccc2[nH]cc([C@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 13535295 CAPKXBVTQCWBKD-FHSNZYRGSA-N 302.418 3.188 0 40 DGAB CCCC(=O)Nc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 14404599 QBJPXJPSXLOLPW-UHFFFAOYSA-N 300.362 3.017 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)O 15838451 SOVHQWURWBWHFZ-SNVBAGLBSA-N 315.354 3.093 0 40 DGAB COCCCN(Cc1cc(F)cc(F)c1)Cc1ccccn1 19593276 ZOBMFCVWVJEGQN-UHFFFAOYSA-N 306.356 3.399 0 40 DGAB Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@H]3CCOC3)N2)n1 12337987 OWDBOTJLGJDBGX-YNEHKIRRSA-N 306.456 3.478 0 40 DGAB CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@@H]3C2)cc1 253403380 PTDMRSHXOPZQEL-IXDOHACOSA-N 317.429 3.050 0 40 DGAB C[C@@H](NC(=O)NCCc1c[nH]c2ccccc12)c1ccccn1 26186159 MZVDKJYODPNDMP-CYBMUJFWSA-N 308.385 3.166 0 40 DGAB O=C(Nc1ccccc1Cl)[C@@H]1CC(c2ccccc2)=NO1 33145402 YVZPFUPBDOISFE-HNNXBMFYSA-N 300.745 3.472 0 40 DGAB Cc1cc(C(=O)N2CCC(N(C)c3ccccn3)CC2)c(C)o1 1889089590 OQYUJYDIIISALE-UHFFFAOYSA-N 313.401 3.032 0 40 DGAB Cn1ccc2cc([C@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 252493885 NFWTZZHKNYISQT-QPGLYAHGSA-N 320.392 3.041 0 40 DGAB CCN(Cc1ccccc1)C(=O)C(=O)c1c[nH]c2ccccc12 4163009 VHTCNWDWHFJXCU-UHFFFAOYSA-N 306.365 3.399 0 40 DGAB Cc1ccc(NC(=O)c2[nH]cnc2C(=O)Nc2ccccc2)cc1 4170355 ADAIDEJRQDIPQF-UHFFFAOYSA-N 320.352 3.223 0 40 DGAB Cc1ccc2ncc(C(=O)Nc3ccc(C(C)C)cc3)c(=O)n2c1 9830058 RBBFCWUIBODSCP-UHFFFAOYSA-N 321.380 3.379 0 40 DGAB Cc1ccccc1CN1CC(Cn2cc(Br)cn2)C1 1889133890 CPYLRZXWXPWXFX-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)c3cccc(OC)c3)C2)cc1 38566478 UUZLXLYLNUNEGV-INIZCTEOSA-N 311.381 3.334 0 40 DGAB Cc1cc(C(=O)N2CCC(O)(C(F)(F)F)CC2)ccc1Cl 89949971 POZJOVIAZIZQNV-UHFFFAOYSA-N 321.726 3.178 0 40 DGAB Cc1cc(S(=O)(=O)NC2CCCCC2)c2ncccc2c1 30836286 RYLAHYXXDCSVBN-UHFFFAOYSA-N 304.415 3.154 0 40 DGAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)cc2F)[C@@H](C(=O)O)C1 69679 FBPUHIZUSSEOAN-NEPJUHHUSA-N 309.312 3.351 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)cc1 7709430 DGZYQLPXEIGMPW-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB CCOc1ccc(C(C)C)cc1S(=O)(=O)Nc1ccncc1 384731 KRWSWRVFWLVOEC-UHFFFAOYSA-N 320.414 3.405 0 40 DGAB NC(=O)c1cc(-c2csc(-c3ccc(F)cc3)n2)ccc1O 7845448 BHDLKBZOUPPNNE-UHFFFAOYSA-N 314.341 3.421 0 40 DGAB COc1cc(CCCCC(=O)O)cc(Br)c1OC 1678802 UXDBBXNONLXSDM-UHFFFAOYSA-N 317.179 3.264 0 40 DGAB COc1cc2c(cc1NC(C)=O)-c1ccc(NC(C)=O)cc1C2 1713229 MZYXEYYWCGHWRZ-UHFFFAOYSA-N 310.353 3.183 0 40 DGAB CCN(CC)C(=O)c1ccc[n+](Cc2ccc(Cl)cc2)c1 1726168 FABOCUBTSPOEED-UHFFFAOYSA-N 303.813 3.158 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccco1 237537 SKWHMJPSZMZIML-ZHACJKMWSA-N 312.369 3.460 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CCC2=O 4025848 XGUHPTGEXRHMQQ-JZFYCYHFSA-N 302.414 3.060 0 40 DGAB biogenic Cc1cc(C)n(-c2nc3cc(Cl)ccc3n3c(C)nnc23)n1 6786313 MNUSKLIAPDQKLP-UHFFFAOYSA-N 312.764 3.042 0 40 DGAB CN(CCCNC(=O)/C=C/c1cccs1)Cc1ccccc1 32902651 MXMAYLDUGOGNSL-ZHACJKMWSA-N 314.454 3.400 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(C(=O)OC)cc2)cc1C 22250699 BJAADAIENXFALN-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CN(C)c1ccc(NC(=O)CCc2ccccc2Cl)cn1 22421220 QAMHJWLUFCIZTH-UHFFFAOYSA-N 303.793 3.372 0 40 DGAB O=C(CCN1CCC[C@@H](O)C1)Nc1ccccc1-c1ccccc1 54423977 UGFOKDGICGSWQQ-QGZVFWFLSA-N 324.424 3.139 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1cccc(OCCn2ccnc2)c1 42707366 MBMGESBXIAXVMP-OAHLLOKOSA-N 311.385 3.257 0 40 DGAB COc1cccc(CNC(=O)CNc2cccc(Cl)c2)c1 24040005 FRSGHVFOOQQBKH-UHFFFAOYSA-N 304.777 3.077 0 40 DGAB O=S1(=O)CC[C@@H](Nc2ccc(Oc3ccccc3)cc2)C1 21813314 RFPMAEKEMGSGDU-CQSZACIVSA-N 303.383 3.078 0 40 DGAB CCN(C(=O)c1ccncc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106630829 KOEHSYLEWCJSAR-APWZRJJASA-N 323.440 3.379 0 40 DGAB CCOC(=O)c1c(N)sc(Cc2ccc3c(c2)OCO3)c1C 3195818 SVSPAGWEDMLSSV-UHFFFAOYSA-N 319.382 3.135 0 40 DGAB C[C@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 25594758 MJBHJASTQJFCOC-SDBXPKJASA-N 324.833 3.058 0 40 DGAB CC(=O)c1ccccc1NCC(=O)NCc1ccc(C)c(F)c1 25606008 HODUKHXVZPKQNP-UHFFFAOYSA-N 314.360 3.065 0 40 DGAB CCCNC(=O)c1sc(COc2ccc(C)cc2)nc1C 16639940 KQAXNCBIERISFH-UHFFFAOYSA-N 304.415 3.479 0 40 DGAB COC(=O)c1cc(NC(=O)N2CCCCCC2)c(F)cc1F 58129938 AJBSFNNRZDWAMN-UHFFFAOYSA-N 312.316 3.159 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCc3ccccc32)c1 44891699 VLJZEBWVECBTHI-GOSISDBHSA-N 309.365 3.072 0 40 DGAB COc1ccccc1-c1noc(CN(CC(C)C)C2CC2)n1 58291103 ASRSJVHNPACZCV-UHFFFAOYSA-N 301.390 3.366 0 40 DGAB O=c1[nH]ncc(NCc2ccc(OC3CCCC3)cc2)c1Cl 58230486 XQTZCUYLDOGQPZ-UHFFFAOYSA-N 319.792 3.357 0 40 DGAB CCCn1nc(C(=O)N(CC(C)C)C2CCCCC2)ccc1=O 58713630 ZYNNXXSMAZLFMS-UHFFFAOYSA-N 319.449 3.084 0 40 DGAB Cc1cccc(C)c1OCCOC(=O)c1c(C)nn(C)c1Cl 48231416 BCJKWGJRBXCWKO-UHFFFAOYSA-N 322.792 3.235 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1ccccc1OC(C)C 48333233 QMWGMMIINVVNEJ-LBPRGKRZSA-N 316.401 3.499 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1C 3443493 HSIGRERGOAJULB-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB OC[C@@H](CNc1ncnc2cc(Cl)ccc12)Cc1ccco1 12912682 AZDMQVQXILWVQE-LLVKDONJSA-N 317.776 3.139 0 40 DGAB COc1ccc(-c2csc(NC(=O)C3CC3)c2C(=O)O)cc1 12919570 AKYOSKFMGSENHL-UHFFFAOYSA-N 317.366 3.470 0 40 DGAB COCc1nc(C(=O)N2CCc3sccc3[C@H]2C)cs1 49156437 OLIUPIILVOTHNG-SECBINFHSA-N 308.428 3.111 0 40 DGAB CCOc1ccccc1CNC(=O)C1=Cc2ccccc2OC1 64762337 QUIIYNSMUDUPLT-UHFFFAOYSA-N 309.365 3.178 0 40 DGAB O=c1cc2c(nn1Cc1ccc(F)cc1)-c1ccccc1CC2 6243026 FPBPHXQXMFOKOS-UHFFFAOYSA-N 306.340 3.196 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1OC(F)F)N1CCCCCC1 14167321 MSCPGASUWWFZDS-LBPRGKRZSA-N 312.360 3.491 0 40 DGAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 5559313 DYUHPHOZLPTTOC-BDJLRTHQSA-N 317.772 3.357 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(Cl)nc2)c1 5610221 DHRYUAOPBBCEAH-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cc(=O)c2ccccc2o1 8723811 FRBAKBAPAFQWFH-UHFFFAOYSA-N 319.360 3.255 0 40 DGAB Cc1ccc(-c2n[nH]c(SCCn3nc(C)cc3C)n2)cc1 68044066 LEIFZSDKYMFPEX-UHFFFAOYSA-N 313.430 3.386 0 40 DGAB C[C@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccccc1 408713464 ZTSWZIJGDUFIOI-ZDUSSCGKSA-N 306.365 3.030 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)c1cc(C2CC2)[nH]n1 72011363 FQCSDHMRBPVNRK-UHFFFAOYSA-N 304.781 3.259 0 40 DGAB CCOCCOc1cccc(C(=O)Nc2cc(N)ccc2C)c1 19736718 QAHCZGIMDZOIBP-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB CNC(=O)c1cccc(NC(=O)N2CC[C@H](c3ccccc3)C2)c1 71844089 NYBGPKCOMLHRLJ-INIZCTEOSA-N 323.396 3.068 0 40 DGAB Cc1ccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)cc1 9895165 NUXXRBFSOCHLRS-SFHVURJKSA-N 322.408 3.089 0 40 DGAB Cc1ccc(-n2nnnc2SC[C@H]2Cc3ccccc3O2)cc1 84177477 IGSZWISTNJJIJE-OAHLLOKOSA-N 324.409 3.067 0 40 DGAB CC(C)(C)OC(=O)NCCCNCc1c(F)cccc1Cl 72274456 BEQGDDNWLZAVBD-UHFFFAOYSA-N 316.804 3.484 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1ccc(OC)cc1OC 72298366 ZMYVXKNBZCXUCF-INIZCTEOSA-N 315.417 3.087 0 40 DGAB Cc1n[nH]c(C)c1CNC[C@H](c1ccccc1Cl)N(C)C 97159340 ZOLXORFQQYKNGT-MRXNPFEDSA-N 306.841 3.072 0 40 DGAB Clc1cc(N[C@@H]2CCSC2)ccc1CN1CCOCC1 97108621 APKJIFIUYAQTJJ-CQSZACIVSA-N 312.866 3.090 0 40 DGAB C[C@@H](CCCO)NCc1cc(Br)ccc1Cl 95425781 VXMKHTBCFRPZRX-VIFPVBQESA-N 306.631 3.353 0 40 DGAB O=C(CCc1cscn1)NC[C@H]1C[C@@]12CCc1ccccc12 79070085 UKYKRWDHCZGZLX-KDOFPFPSSA-N 312.438 3.096 0 40 DGAB Cc1c(Cl)cccc1NS(=O)(=O)c1ccc2c(c1)CCN2 20431750 KVJRJSNSTZEISJ-UHFFFAOYSA-N 322.817 3.417 0 40 DGAB CC(C)[C@H](OC(=O)c1ccc(Cl)s1)C(=O)N1CCCC1 95948016 KERIXQYBHYRYPB-LBPRGKRZSA-N 315.822 3.205 0 40 DGAB O=c1ccc(-c2ccccc2F)nn1Cc1nc2ccccc2o1 95965163 BNAXSPCEOCOARY-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB CC(C)=CCSc1ccccc1C(=O)N1CC[C@H](CO)C1 95976267 MBRQDDGFUPYNTP-AWEZNQCLSA-N 305.443 3.199 0 40 DGAB Cc1cc([C@@H]2CN(Cc3c(C)nn(C)c3C)CCO2)ccc1F 95978966 BRFUDCYWRMBNDE-SFHVURJKSA-N 317.408 3.058 0 40 DGAB COc1ccc([C@@H]2C[C@@H](C)CN2Cc2cnc3cnccn23)cc1 95982908 FTPFVWFGMFIVKC-KDOFPFPSSA-N 322.412 3.321 0 40 DGAB CCn1c(=O)n(CC)c2cc(NC(=O)c3ccccc3)ccc21 408528392 FXJYILJVEYCLRS-UHFFFAOYSA-N 309.369 3.095 0 40 DGAB CC(C)NC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38666494 LMDRFQYQKBWGCZ-NSHDSACASA-N 320.418 3.096 0 40 DGAB NC(=O)c1cc(Br)c2[nH]c(-c3ccccc3)nc2c1 216920959 VEIIJZBOJXCPMW-UHFFFAOYSA-N 316.158 3.091 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCc2c(F)cccc21 79320615 IVSPHKCFVBILHK-QFYYESIMSA-N 315.392 3.083 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 74120325 SOAXGBJOVPNHGL-HOTGVXAUSA-N 306.475 3.104 0 40 DGAB CCOCCOc1c(F)cc(Br)cc1C(C)=O 182350888 XZUOPHFKFZWOTN-UHFFFAOYSA-N 305.143 3.206 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccc(F)cc12 79027373 YSWFRCGDDVZCHS-HNNXBMFYSA-N 320.408 3.498 0 40 DGAB Cc1ccc(-c2ccc(CCC(N)=O)o2)c(Br)c1 216924327 ZADQENYXDNPUDD-UHFFFAOYSA-N 308.175 3.435 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F 72227534 ROKHSQSYZOFPDX-UONOGXRCSA-N 324.277 3.260 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)NCCc2ccccc2)c1 40758657 VDRFUZRYSUXLJK-UHFFFAOYSA-N 307.397 3.094 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)cc1 225743969 BVLZMSZFIGIZEJ-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1ccc2oc(CN3CCC[C@@H]3Cn3ccnc3)cc2c1 195573499 NLLGOAZKRSPCDJ-OAHLLOKOSA-N 311.385 3.303 0 40 DGAB C[C@@H](NC(=O)N1CCC=C(c2ccccc2)C1)c1ccnc(O)c1 578160465 JLNVVCLPNGECSN-CQSZACIVSA-N 323.396 3.347 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCOC[C@H]1CCCO1 95422500 IPHSGRMOLAFFML-WBVHZDCISA-N 317.429 3.218 0 40 DGAB O=C1C[C@@H](Cc2ccccc2)C(=O)N1c1nc2ccccc2s1 95346332 MFWVBWRHACIDNC-CYBMUJFWSA-N 322.389 3.419 0 40 DGAB CC(C)[C@H]1CN(C(=O)N[C@H](C)CC[C@@H]2CCCO2)CCS1 96439666 PWCDWQLLPVAREC-QLFBSQMISA-N 314.495 3.117 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@@]3(CCN(c4nccs4)C3)C2)c1 96072589 UTGYAFNQFGKOGA-HOCLYGCPSA-N 319.405 3.132 0 40 DGAB CSC[C@@H](C)NC(=O)c1ncoc1-c1ccccc1Cl 96425244 DJASTGCGNZHZOK-SECBINFHSA-N 310.806 3.476 0 40 DGAB c1ccc(CN2CC[C@H]3C[C@@H](c4nccs4)O[C@@H]3C2)cc1 96070672 YQRQIYQQSMDRJZ-HRCADAONSA-N 300.427 3.495 0 40 DGAB CCc1noc(C2CCC(NCCc3csc(C)n3)CC2)n1 95996264 SBTRAFBMRWJQNX-UHFFFAOYSA-N 320.462 3.255 0 40 DGAB CCC[C@H](NC(=O)NC[C@@H](O)c1cccs1)c1ccccn1 96415452 YPNTWTYVFYBCLQ-UONOGXRCSA-N 319.430 3.017 0 40 DGAB O=C(NCc1ccncc1)N[C@@H](C1CCCC1)C(F)(F)F 97377924 PKHQOBMECVCBSA-LBPRGKRZSA-N 301.312 3.002 0 40 DGAB O=C([C@@H]1CCCO1)N1CCC[C@]1(c1ccccc1)C(F)(F)F 97102345 RYIFKXLTTVTGPT-ZFWWWQNUSA-N 313.319 3.246 0 40 DGAB O=C(CC1CCCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257215250 CPHGWYLCCUGYKH-BPQIPLTHSA-N 314.429 3.278 0 40 DGAB Cc1cccc(CN2CCC(c3csc4nccn34)CC2)n1 257343915 ZUXNMPZBGKTYEI-UHFFFAOYSA-N 312.442 3.479 0 40 DGAB CC(=O)N1CCC[C@H](c2ccc(-c3ccc(C(=O)O)cc3)cn2)C1 257228300 FTIILUTVTWTICV-KRWDZBQOSA-N 324.380 3.173 0 40 DGAB Fc1cnc(NCc2ccc(N3CCCCCC3)nc2)nc1 269491707 OCDOQDQQFBXTRO-UHFFFAOYSA-N 301.369 3.003 0 40 DGAB COc1cccc(CN2CCC[C@@H]2c2c(C)nn(C)c2OC)c1 72267610 AXSRHCBKRFZGEI-MRXNPFEDSA-N 315.417 3.083 0 40 DGAB O=C(c1ccc2nc([C@@H]3CCCO3)oc2c1)N1CCCCC1 1553413572 BVMXPZCIAYDOFL-AWEZNQCLSA-N 300.358 3.305 0 40 DGAB N=c1ccccn1C(=O)C1=Cc2cc(Cl)cc(Cl)c2OC1 5104012 RVDYVUOTQGMQDA-UHFFFAOYSA-N 321.163 3.391 0 40 DGAB CCOc1ccc(-c2cc(C(=O)NCc3ccccc3)n[nH]2)cc1 15721737 GMSSIZVZKXEREN-UHFFFAOYSA-N 321.380 3.405 0 40 DGAB CCOC(=O)Cc1csc(NC(=S)Nc2ccccc2)n1 16682893 OPCJWMBRNSWMFS-UHFFFAOYSA-N 321.427 3.058 0 40 DGAB C[C@H]1CCCCN1C(=O)CCCCC(=O)N1CCCC[C@H]1C 17031867 JUJFXCLBPZBDMK-IYBDPMFKSA-N 308.466 3.349 0 40 DGAB Cc1nn(C)cc1-c1cncn1CC1(N(C)C)CCC(C)CC1 19719466 TXXZLOONLSTXRK-UHFFFAOYSA-N 315.465 3.103 0 40 DGAB Nc1cc(Br)ccc1NC(=O)COc1ccccc1 20520890 KXCORNJRXKQNCD-UHFFFAOYSA-N 321.174 3.049 0 40 DGAB CCc1nnc(C2CCN(C(=O)NC3CCCCC3)CC2)s1 23140935 QEZWMOMYGXDPJK-UHFFFAOYSA-N 322.478 3.322 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](C)S[C@]23C(=O)Nc2ccccc23)cc1 51773 BILOULZYQSERFU-KZULUSFZSA-N 324.405 3.268 0 40 DGAB COc1ccc(NC(=O)CSCc2ccco2)c(OC)c1 4263058 DTXUUPKFZRMYRW-UHFFFAOYSA-N 307.371 3.169 0 40 DGAB O=C(CCOc1ccccc1)Nc1nnc(-c2cccs2)o1 4330359 VHGRZKRTWQASAU-UHFFFAOYSA-N 315.354 3.206 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cccs1 12420840 PSEAQZJAXMVQMO-ZDUSSCGKSA-N 314.366 3.174 0 40 DGAB Fc1cccc2sc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)nc12 2070376349 OJSMROXDFFDMSL-VXGBXAGGSA-N 317.433 3.356 0 40 DGAB CNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccc(C)cc1 12419370 NNKDUEKVVYMMQR-UHFFFAOYSA-N 318.354 3.118 0 40 DGAB COc1ccc([C@H](C)NC(=O)N[C@H](C)c2ccccn2)cc1F 45560701 YYFPUWQSAVHBTI-NWDGAFQWSA-N 317.364 3.351 0 40 DGAB COc1ccc(NC(=O)[C@H](C)OCC(C)C)cc1OC(F)F 40521104 GVOIHHNLQUKQTN-JTQLQIEISA-N 317.332 3.296 0 40 DGAB CCCc1nnc2c3cnn(-c4ccc(C)cc4C)c3ncn12 540411 IHNXZQKVBVIELZ-UHFFFAOYSA-N 306.373 3.033 0 40 DGAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCCO3)c2C1 36770130 MDVPPOPTIVEUGX-KGLIPLIRSA-N 324.424 3.268 0 40 DGAB COc1ccc([C@H](N)CCc2cccc(OC)c2OC)cc1 1667046 BNXPPYKNSVMIIN-MRXNPFEDSA-N 301.386 3.345 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC(=S)Nc1ccccc1 331195 KQJAUPDXCVOBIG-UHFFFAOYSA-N 304.802 3.396 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccccc2OC)c1 6824235 XZUNHAJFLLLYOS-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB Cn1c(S[C@H]2CCCCC2=O)nnc1-c1ccccc1F 2642323 JBFGWMOZDAJXAU-ZDUSSCGKSA-N 305.378 3.225 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)c1cc(Cl)sc1Cl 69630748 KSPWVTWQTRWEJT-UHFFFAOYSA-N 304.202 3.325 0 40 DGAB CCc1nc(OCC(=O)Nc2ccccc2)c2ccccc2n1 33141677 MINFFBABBBLCPY-UHFFFAOYSA-N 307.353 3.210 0 40 DGAB Clc1cc(Cl)c(Oc2ccc3nnnn3n2)cc1Cl 22202597 YNZXRRUAOCAUGD-UHFFFAOYSA-N 316.535 3.272 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccccc1F 22702663 DQDBHBWDUHZLKU-VQHVLOKHSA-N 313.328 3.226 0 40 DGAB Cc1nonc1NS(=O)(=O)c1ccc(C2CCCCC2)cc1 28249129 YGBRJFYNSFXNNP-UHFFFAOYSA-N 321.402 3.227 0 40 DGAB COCC[C@H](C)NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 104387272 GTXRJQJFUYTAAF-WFASDCNBSA-N 322.453 3.078 0 40 DGAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(OC)cc2)c1 26032645 KGWBVEAYIXXNOR-ZDUSSCGKSA-N 315.369 3.248 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)cc1 101275109 JYLGNNKOKOELBV-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CCCc1nc(N(C)Cc2ccco2)c2c(n1)c(C)nn2CC 57355822 HHTVHJSVCMXLDY-UHFFFAOYSA-N 313.405 3.337 0 40 DGAB CCOC(=O)c1nnc2c(-c3ccccc3)c(C(C)C)nn2c1C 20797857 RNHOIWMTWZKBCP-UHFFFAOYSA-N 324.384 3.400 0 40 DGAB COc1ccc(CNc2nc(-c3ccccc3)no2)cc1OC 57354020 FGOLLHWZBVXGCA-UHFFFAOYSA-N 311.341 3.366 0 40 DGAB CC[C@H](C)c1ccc([C@@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 57315530 YVZLENUKTCTYMI-XEZPLFJOSA-N 319.449 3.070 0 40 DGAB O=C(Nc1cccnc1)c1cccc(OCc2cscn2)c1 12534458 WXUJPLJLQPOAQP-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB O=C(NCc1ccc(F)c(Cl)c1)c1n[nH]c2c1CCCC2 57416233 WOZOZYXKVAAHKR-UHFFFAOYSA-N 307.756 3.011 0 40 DGAB COc1cccc(NC(=S)NCCCN2CCCCCC2)c1 61247028 ACNPCYZYSVQMDI-UHFFFAOYSA-N 321.490 3.248 0 40 DGAB O=C(c1ccc2c(c1)OCCO2)N1CCCCc2ccccc21 47975767 BMWUIDVQVCIPSN-UHFFFAOYSA-N 309.365 3.441 0 40 DGAB O=c1ccccn1Cc1nnc(-c2ccc(Cl)cc2Cl)o1 58024854 BCTCUGWCGOLRCU-UHFFFAOYSA-N 322.151 3.253 0 40 DGAB CCOc1ncccc1C(=O)Nc1cccc(Cl)c1N(C)C 58180455 GCBQSQKUZIQQQU-UHFFFAOYSA-N 319.792 3.452 0 40 DGAB Cc1noc(C)c1CC(=O)NCC1(c2ccc(F)cc2)CCC1 58323636 VVEZUQYNGCMWRK-UHFFFAOYSA-N 316.376 3.211 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2O)cc1Br 12613754 LYJHTYBIASJOQM-UHFFFAOYSA-N 322.158 3.416 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNC[C@@H](c1ccco1)N(C)C 69161081 CDGPRRLFOUGVCF-ZDUSSCGKSA-N 324.856 3.182 0 40 DGAB c1ccc(Cc2noc(CN3CCOc4ccccc43)n2)cc1 48374264 BATOGAAUVXJEGK-UHFFFAOYSA-N 307.353 3.059 0 40 DGAB O=C(O)C[C@H](NC(=O)CCc1ccc(F)cc1)c1cccs1 13389895 PCZKPLJIFRLNGH-ZDUSSCGKSA-N 321.373 3.152 0 40 DGAB COc1cc(C[S@@](=O)c2ccccc2)nc(-c2ccccc2)n1 4060087 ABUSNSZDFCQMKW-QHCPKHFHSA-N 324.405 3.460 0 40 DGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1F 409002560 OPTOYCOAULEYGV-CQSZACIVSA-N 308.353 3.021 0 40 DGAB CCN(CC(=O)NC(C)C)C(=O)/C=C/c1cccc2ccccc12 14079751 WLUWMBQEEQJHKS-OUKQBFOZSA-N 324.424 3.226 0 40 DGAB COc1cc(Cl)c(C)cc1NCC(=O)Nc1cc(C)on1 65552633 ZJCBYQHEYAXCMI-UHFFFAOYSA-N 309.753 3.004 0 40 DGAB Cc1cc(Cn2cnc3sc(-c4ccccc4)cc3c2=O)no1 5313475 UAPZTLBPRNJBQL-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 4539889 PWPLKFIKLKIKJP-IBGZPJMESA-N 309.365 3.414 0 40 DGAB Cc1nnc2n1CCN(CCCOc1ccc3ccccc3c1)C2 69521613 UUNBFWFEENWXNA-UHFFFAOYSA-N 322.412 3.024 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)NCCc1ccccc12 66351298 AHNPIPNEOCUYGQ-UHFFFAOYSA-N 302.418 3.059 0 40 DGAB in-vitro CCn1ccnc1SCC(=O)N[C@H](C)c1ccc(F)cc1 8707784 CTIMFTARMCYVAB-LLVKDONJSA-N 307.394 3.012 0 40 DGAB O=C(CCC(=O)c1ccc(F)cc1)NCc1ccccc1F 6981743 BNXZDIQJTVEYCT-UHFFFAOYSA-N 303.308 3.244 0 40 DGAB CC(C)Cn1ccc2cc(NC(=O)c3ccn(C)c(=O)c3)ccc21 70773854 HSHPFHJBOATBRM-UHFFFAOYSA-N 323.396 3.248 0 40 DGAB Cc1cc(C)c2oc(C(=O)Nc3nccs3)cc(=O)c2c1 8843771 ZSHJWNZUZDKVDU-UHFFFAOYSA-N 300.339 3.119 0 40 DGAB CSc1cc(C(=O)NCc2ncc[nH]2)c(Cl)cc1Cl 83992831 HGKCOVDDVOGGLL-UHFFFAOYSA-N 316.213 3.368 0 40 DGAB CCN1CCC[C@H](Nc2nc(C)nc3sc4c(c23)CCC4)C1 71821702 YYJQMFPXGJKJEC-LBPRGKRZSA-N 316.474 3.385 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](CO)C2)cc1 71803479 QMMBRAPRLIJEEB-ZIAGYGMSSA-N 322.474 3.274 0 40 DGAB Cc1noc([C@H](C)[S@](=O)Cc2c(F)cccc2Cl)n1 71888570 OXZLUXWQDDLDFS-IIYDVTGLSA-N 302.758 3.180 0 40 DGAB Cc1ccc(OCCC(=O)N(C)Cc2cccc(O)c2)c(C)c1 84133546 CWWDFCRWILOAGU-UHFFFAOYSA-N 313.397 3.437 0 40 DGAB CC(C)(C)C(=O)Nc1cnn(Cc2ccc(-n3cccn3)cc2)c1 72296220 GKOJXQJBLCPETD-UHFFFAOYSA-N 323.400 3.102 0 40 DGAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)CCc1ccc(F)cc1 72295560 QRTBIOKCIWXJHT-OIISXLGYSA-N 305.393 3.078 0 40 DGAB OC[C@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 97033777 QAYOGBXWODPTKW-AWEZNQCLSA-N 308.853 3.145 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)c1cc(C(F)(F)F)ccc1F 97014946 PQAPEZSNTZJTFY-UHFFFAOYSA-N 315.270 3.114 0 40 DGAB CC(=O)N1N=C(c2ccc(C)o2)C[C@H]1c1nc2ccccc2n1C 97105798 WUOQVXZUZCMJFQ-INIZCTEOSA-N 322.368 3.172 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C12CCCC2 72304619 NZFXPUOGANSHAT-BRWVUGGUSA-N 322.493 3.105 0 40 DGAB O=C(/C=C/c1cc(Br)cs1)Nc1nncs1 78932362 NTKPAVORMALNFO-OWOJBTEDSA-N 316.205 3.014 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1 78935195 GCBUEZJESSSYDJ-GJZGRUSLSA-N 323.506 3.102 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1 175071124 KAXYJUXYNCFLLF-MRXNPFEDSA-N 317.360 3.178 0 40 DGAB Cc1ccc([C@@H]2CCCN2[C@@H](C)C(=O)NCC(F)(F)F)s1 95430695 YLRHGBYKXUDKLK-QWRGUYRKSA-N 320.380 3.260 0 40 DGAB CC(C)(C)NC(=O)NCc1nccn1CCCc1ccccc1 95411424 VPONKRNZJYPNLF-UHFFFAOYSA-N 314.433 3.114 0 40 DGAB CCCc1n[nH]c(SCc2csc([C@H]3CCCO3)n2)n1 95442157 CCOIAOCTOVUZIW-SNVBAGLBSA-N 310.448 3.358 0 40 DGAB COC(=O)[C@@H](C)[C@H](NCc1ccncc1Cl)c1ccccc1 79937348 VVPSFNFNUQPEAP-LRDDRELGSA-N 318.804 3.375 0 40 DGAB CCC[C@](C)(NC(=O)c1cc(Cl)sc1Cl)C(=O)O 95956935 KNMKWEDXCMKJLY-NSHDSACASA-N 310.202 3.428 0 40 DGAB Cc1nc(CN[C@@H]2CCN(Cc3ccccc3)C2)sc1C 88737925 DOGNXIOYFHQGSZ-MRXNPFEDSA-N 301.459 3.124 0 40 DGAB CN(C(=O)c1ccc2[nH]cnc2c1)c1ccc2ccccc2n1 75093042 KSWCSLRGQLESHA-UHFFFAOYSA-N 302.337 3.388 0 40 DGAB FCCn1cc(Br)c(COCCC(F)(F)F)n1 408715885 GGMBQDSOWFZRBU-UHFFFAOYSA-N 319.096 3.084 0 40 DGAB CN(CC(=O)Nc1ccc2ncccc2c1)C(=O)OC(C)(C)C 60381934 CYBPKGXMZXZVBW-UHFFFAOYSA-N 315.373 3.040 0 40 DGAB COc1ccc(Br)cc1C(=O)Nc1ccccc1N 70462864 JLUVXHRKHNNJRC-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(-c2nc(CN3CCC(C(=O)O)CC3)c(C)o2)cc1 32917377 XBAOOTXRFPFJNI-UHFFFAOYSA-N 314.385 3.255 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)NCCc2ccccc2)cc1 38832967 IFVBJDTVEZTVSD-UHFFFAOYSA-N 319.408 3.212 0 40 DGAB CSCc1cccc(S(=O)(=O)Nc2cc(C)ccn2)c1 72240334 ZVRZIEQABXMMIK-UHFFFAOYSA-N 308.428 3.054 0 40 DGAB O=C(c1ccc(CN2CCOCC2)cc1)c1cccc(Cl)c1 43210840 XBHJBPWNYLXVHD-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccccc2F)C1 228908709 MAFLORYDVGGCKK-CYBMUJFWSA-N 307.365 3.194 0 40 DGAB COc1ccccc1C[C@H]1CN(C(=O)OC(C)(C)C)CCC1=O 228909493 KOEAVIPKTHGVAC-AWEZNQCLSA-N 319.401 3.064 0 40 DGAB C[Si](C)(C)CN1C(=O)c2ccccc2[C@@]1(O)c1ccccc1 195524825 OEJXWGUNFGNNGO-SFHVURJKSA-N 311.457 3.213 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccc(C(F)(F)F)cc3)=NN[C@@H]2C1 228939358 ISHDJVITTSGJRM-DGCLKSJQSA-N 310.319 3.387 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)s1 222768895 BQFXISOACWYRQX-ZIAGYGMSSA-N 303.456 3.444 0 40 DGAB C[C@@H](NC(=O)Cn1ccc(=O)c2cc(F)ccc21)c1ccccc1 225748651 CTSCIUGWTDPIMH-CYBMUJFWSA-N 324.355 3.018 0 40 DGAB Cc1cccc(OCC(=O)NCCSCc2ccco2)c1C 138680513 BMXDVAXXUORJLZ-UHFFFAOYSA-N 319.426 3.325 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)NCCC[C@H]12 228975127 XRRQIGUDVJTTIW-YJBOKZPZSA-N 302.418 3.275 0 40 DGAB CC(=O)N(C)[C@H]1CCSc2ccc(Br)cc21 96404043 MEUIZNZQYQICBP-NSHDSACASA-N 300.221 3.464 0 40 DGAB FC(F)(F)c1ncccc1N1CCN(Cc2ccccc2)CC1 95080906 YYSYCKOMOXTRIF-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB C[C@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)C1CCOCC1 97377912 IAHNDYFCEOUIDT-GXFFZTMASA-N 322.371 3.222 0 40 DGAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(CNc2ccccc2)n1 95533968 JDUQUEIQXJGJGP-OAHLLOKOSA-N 313.792 3.118 0 40 DGAB c1ccc(-c2ncc(CN3CCC[C@@H](c4ccn[nH]4)C3)cn2)cc1 257311128 UICKOZRPSOPWKJ-QGZVFWFLSA-N 319.412 3.246 0 40 DGAB c1ccc(CN2CCC3(CC2)CO[C@@H](Cc2cccnc2)C3)nc1 257330060 XMPQESUFSGVUQJ-IBGZPJMESA-N 323.440 3.090 0 40 DGAB Cc1ccsc1C(=O)N(C)[C@@H]1CCCN(c2ccccn2)C1 257308503 TWXZJWUVCMNXQP-CQSZACIVSA-N 315.442 3.193 0 40 DGAB Cc1ccc(C[C@H]2CCCN2C(=O)Nc2ccnc(C)n2)cc1 547866978 CWZLRKATPWOXSZ-MRXNPFEDSA-N 310.401 3.332 0 40 DGAB Cc1ncc([C@@H](C)NC[C@]2(O)CCCc3ccccc32)s1 90409029 NMUZASMSHDVDLU-SJKOYZFVSA-N 302.443 3.326 0 40 DGAB Cc1ncsc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1 1615192025 POAARAAAJYWEBF-HOTGVXAUSA-N 302.443 3.020 0 40 DGAB CCc1ccc(/N=C/c2ccc(OCC(=O)O)c(OC)c2)cc1 8084769 VBQLCBQTEFIRKK-YBFXNURJSA-N 313.353 3.472 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2c(C)cccc2C)c1 5476673 CIIRZUPWUZDWRL-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB COc1ccc(NC(=O)CCc2ccc(F)cc2)c(OC)c1 18116757 WWGIEPHRKVTOCW-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB Cc1cc([C@H]2CCCCCN2Cc2c(C)nn(C)c2C)on1 19120206 BWRJZJZLZMNXBO-MRXNPFEDSA-N 302.422 3.451 0 40 DGAB CC(C)n1cc(CN2CC[C@@H](C(=O)N(C)C)C2)c2ccccc21 19747876 DMYXIFOLTVYZIX-OAHLLOKOSA-N 313.445 3.132 0 40 DGAB Cc1cc(N2CCC(CNC(=O)[C@H]3CC=CCC3)CC2)ccn1 253408692 YMRDDEAVQAZOSL-KRWDZBQOSA-N 313.445 3.079 0 40 DGAB Cc1ccc(C)c(SCC(=O)Nc2c(C)nn(C)c2C)c1 26468388 ZATZJHXUPOHTKT-UHFFFAOYSA-N 303.431 3.385 0 40 DGAB NC(=O)[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 40484978 UESPFVIEHUCCJY-CQSZACIVSA-N 324.302 3.266 0 40 DGAB C[C@H](N[C@H]1CCCCNC1=O)c1cc(F)c(Cl)cc1Cl 35055222 YXYFVYLOIDYPLA-SDBXPKJASA-N 319.207 3.452 0 40 DGAB CCC(=O)Nc1nc(-c2cc3ccccc3oc2=O)cs1 567899 FOROOOQUPVDMFL-UHFFFAOYSA-N 300.339 3.265 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)Cc1ccco1 32434576 DELHBLLUNCFBRG-JTQLQIEISA-N 313.806 3.151 0 40 DGAB O=C1C[C@@H]2Sc3ccccc3N=C2N(Cc2ccccc2)N1 20030948 PGKYXBKWJSCSDF-HNNXBMFYSA-N 309.394 3.128 0 40 DGAB CC(C)CCN1CCN(C(=O)CCCc2ccccc2)CC1 40121946 WIMXUTQXZZXDSE-UHFFFAOYSA-N 302.462 3.200 0 40 DGAB Fc1cccc(Cl)c1CNCc1ccnc(-n2cccn2)c1 30901002 IWINMSCGYZUALA-UHFFFAOYSA-N 316.767 3.350 0 40 DGAB CC(C)c1noc([C@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 40497189 WKLGGUZHODEYKK-WFASDCNBSA-N 319.380 3.467 0 40 DGAB CCOc1ccc(NC(=O)[C@]23CC[C@@H](C2)C(C)(C)C3=O)cc1 100868118 AGVMVKZCSSFSJN-KPZWWZAWSA-N 301.386 3.419 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CN1CCCCC1 2493222 QFJLVIBQTRNFGH-KRWDZBQOSA-N 300.446 3.413 0 40 DGAB C[C@@H](Nc1ncnc2[nH]cnc12)c1ccc(OC(F)F)cc1 40512419 BYHKTNMESGCBCF-MRVPVSSYSA-N 305.288 3.127 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2scnc2C)cc1OC 40529191 VJJWKQPFMGVOTL-SNVBAGLBSA-N 320.414 3.350 0 40 DGAB CCCN1[C@@H]2CCC[C@@H]1CC(NC(=O)c1ccc(OC)cc1)C2 1369917 WVBLWCCUEQTIIH-IAGOWNOFSA-N 316.445 3.221 0 40 DGAB Cc1ccc2c(c1)c1nc(C)sc1n2CCN1CCOCC1 20533465 XJENTHYGMMLMLM-UHFFFAOYSA-N 315.442 3.200 0 40 DGAB CC(=O)Nc1ccc(C2=NC3=Cc4ccccc4O[C@H]3O2)cc1 3035552 VATKVKPCSACQAX-SFHVURJKSA-N 306.321 3.181 0 40 DGAB CCCCCC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 29315349 PGUUNIPTNDXHDS-UHFFFAOYSA-N 318.826 3.230 0 40 DGAB Cc1cc(N)n2nc(-c3ccc(Br)cc3)cc2n1 208681 YCQIWFQDAPNLSD-UHFFFAOYSA-N 303.163 3.049 0 40 DGAB Cc1cc2occ(CC(=O)OCC(=O)NC(C)(C)C)c2cc1C 4493518 DJQLCLKMJZGPLP-UHFFFAOYSA-N 317.385 3.050 0 40 DGAB Cc1ccc(F)cc1S(=O)(=O)Oc1cccc2c1CCC2=O 32410623 ZYHCUEUBCJZYQE-UHFFFAOYSA-N 320.341 3.031 0 40 DGAB C[C@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 6201108 NRCIIYINZAFCAN-DZGCQCFKSA-N 318.417 3.263 0 40 DGAB CCc1cccc(NC(=O)COC(=O)CCc2ccccc2)c1 6375038 MYTSLDPKDWFGRS-UHFFFAOYSA-N 311.381 3.364 0 40 DGAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 102182619 QIPGXEQGRMPFOG-ZQDZILKHSA-N 319.474 3.126 0 40 DGAB Cc1nc2ccc(C(=O)Nc3nc4ccccc4[nH]3)cc2nc1C 32740535 HXIUAHSRAVRJNL-UHFFFAOYSA-N 317.352 3.375 0 40 DGAB O=C(OCCO)c1cc2sc(Nc3ccccc3)nc2s1 8165528 OGAQBDRPOJWJGK-UHFFFAOYSA-N 320.395 3.251 0 40 DGAB Cc1csc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)n1 8704954 UZCHSHGQPXJWOL-UHFFFAOYSA-N 321.402 3.214 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(F)cc2F)cc1OC 2626269 VQTLHIVYCPNNKC-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB Cc1ccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc1C 11915415 YNEIZRSOINEBKU-LLVKDONJSA-N 314.385 3.434 0 40 DGAB Cc1ccc2[nH]cc(CCN3C(=O)c4ccccc4C3=O)c2c1 551438 FUYBGYKLBWLIBW-UHFFFAOYSA-N 304.349 3.315 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@@H](C)c1ccncc1 22622065 KMQWXLIFOWMQML-NSHDSACASA-N 324.409 3.400 0 40 DGAB Cc1cc(C)n(Cc2cccc(C(=O)NC(C3CC3)C3CC3)c2)n1 58024035 NOBHCXTYPIKTJJ-UHFFFAOYSA-N 323.440 3.467 0 40 DGAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CCOCC2)c1 43211453 DTPIBDKXMQXCFI-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CC[C@@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@@]1(C)O 35327509 IHZLTVTTYVVGLD-MSOLQXFVSA-N 316.401 3.348 0 40 DGAB CN([C@H]1CCCc2ccccc21)S(=O)(=O)c1cccs1 8167133 GGJACVYPALBBIP-AWEZNQCLSA-N 307.440 3.446 0 40 DGAB Cc1cnc([C@H](NC(=O)N2C[C@@H]3CCC[C@H]3C2)C2CC2)s1 110678534 YQXWVECDFMICPP-MELADBBJSA-N 305.447 3.344 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCOc2ccccc2F)c1 8150642 ZAAYVNXGEFNOQT-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB O=C(COC(=O)c1cccc(F)c1)Nc1ccccc1Cl 1993706 FSDGDTMYHLIWIV-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1cccc(C[S@@](=O)CCC(=O)Nc2ccccc2)c1 58089311 CECHJCHHCWDXKZ-OAQYLSRUSA-N 301.411 3.273 0 40 DGAB CCCc1nc(NC(=O)c2cc(C(C)=O)c[nH]2)sc1CC 58137797 XVTZVIMJIPVWSC-UHFFFAOYSA-N 305.403 3.441 0 40 DGAB O=C(Cc1cccs1)NC1CCN(CC2CCCCC2)CC1 58290858 VCPRNJSXORJFSS-UHFFFAOYSA-N 320.502 3.452 0 40 DGAB COc1cccc(NCc2cc(=O)oc3cc(C)c(O)cc23)c1 2113679 OYDHVCFLCLJGEV-UHFFFAOYSA-N 311.337 3.428 0 40 DGAB biogenic c1ccc(N2CCN(Cc3ccc(-n4cccn4)cc3)CC2)cc1 12523427 PKQSDHHTBMYENT-UHFFFAOYSA-N 318.424 3.195 0 40 DGAB in-vivo C[C@@H](Nc1cccc(C(N)=O)c1)c1nc(-c2cccs2)no1 58343057 CYUWWTCEKFSGAF-SECBINFHSA-N 314.370 3.070 0 40 DGAB Cc1ccc([C@H](CNC(=O)Cc2ccccc2)N2CCCC2)cc1 27989152 BAKDSMIMYVQPMC-FQEVSTJZSA-N 322.452 3.491 0 40 DGAB C[C@H](Sc1nc(N)cc(N)n1)c1ccc(OC(F)F)cc1 58440704 OITDXXOPXIVKQN-ZETCQYMHSA-N 312.345 3.096 0 40 DGAB C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccs1 28405219 MMCASJCFNKXJHF-YPMHNXCESA-N 302.399 3.112 0 40 DGAB COc1cc(N[C@@H](C)C(=O)Nc2cccc(F)c2)cc(OC)c1 12605906 LOQVLUHQOYFTCO-NSHDSACASA-N 318.348 3.282 0 40 DGAB Cc1cccc(NCC(=O)N2CCN(c3ccccc3)CC2)c1C 3348356 RKDMOJKSHLJMGD-UHFFFAOYSA-N 323.440 3.064 0 40 DGAB COc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 12750676 PEXRVPRQQCAFHS-UHFFFAOYSA-N 324.380 3.070 0 40 DGAB Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(-n3cnnc3)c2)c1 69324326 DQKZQZIINWWDMH-MSOLQXFVSA-N 318.380 3.318 0 40 DGAB O=C(NC1CCCCC1)c1cccc(OC[C@H]2CCCO2)c1 12935461 SJKFONOCJANKMV-QGZVFWFLSA-N 303.402 3.307 0 40 DGAB CC[C@](NCc1nc2ccccc2o1)(C(=O)OC)c1ccccc1 69701372 YPUZNCNEEBRYAI-LJQANCHMSA-N 324.380 3.396 0 40 DGAB CCCc1nnc2sc(COc3ccccc3OCC)nn12 8392281 UQJLPUUWBAALFB-UHFFFAOYSA-N 318.402 3.116 0 40 DGAB Cc1cc(CNc2ncnc3sc4c(c23)CCCC4)no1 63248395 WOTRMENQUUCAKB-UHFFFAOYSA-N 300.387 3.479 0 40 DGAB O=[S@](CCNc1nc2ccccc2o1)c1ccccc1F 69770811 BBNBOQQIMHKIAU-NRFANRHFSA-N 304.346 3.187 0 40 DGAB Cc1nc(C2(NC(=O)Nc3ccc(F)cc3)CCCC2)no1 69453754 ZNHUVUFLZULPCZ-UHFFFAOYSA-N 304.325 3.108 0 40 DGAB O=C(c1cccc[n+]1[O-])N(Cc1ccccc1)Cc1ccccc1 64856288 AKAYEBKKAIOPIQ-UHFFFAOYSA-N 318.376 3.163 0 40 DGAB COc1ccc(Cc2nnc(S[C@@H]3CCCCC3=O)o2)cc1 39576185 NPNMKOODPMLABJ-CQSZACIVSA-N 318.398 3.273 0 40 DGAB Cc1cc(CNC(=O)c2ccnc(C)n2)c2[nH]c(C)c(C)c2c1 65490112 ACAASKLBJAEVQA-UHFFFAOYSA-N 308.385 3.122 0 40 DGAB CCn1cc(NC(=O)c2sc(C(C)(C)C)nc2C)ccc1=O 65565588 HEDNKZASHZYJJS-UHFFFAOYSA-N 319.430 3.183 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)/C=C/c3cccs3)ccc21 14136326 GEJDKGUZBNBFQY-FNORWQNLSA-N 312.394 3.309 0 40 DGAB CN1CCC[C@H](CSc2nnc(Cc3ccccc3F)o2)C1 69977893 JHUFNRFSZJUKKM-LBPRGKRZSA-N 321.421 3.233 0 40 DGAB COCCNCc1ccc(OC)c(OCc2ccccc2)c1 4700301 LVKQDLXYCMOUPI-UHFFFAOYSA-N 301.386 3.010 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(C(C)=O)cc1 7057420 XLMVMTGXXVWMSO-UHFFFAOYSA-N 319.382 3.089 0 40 DGAB Cc1c(Br)cccc1COC(=O)[C@@H]1OCC[C@@H]1C 90398323 IHAUQQHRVLPOSO-TVQRCGJNSA-N 313.191 3.226 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 20488746 YLYZDADUGMIYSX-OAHLLOKOSA-N 323.389 3.264 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 19311704 SZYHGKSILAEVTD-CQSZACIVSA-N 324.380 3.219 0 40 DGAB Cc1ccc(-c2nnc(Cn3ccc(=O)c4sccc43)o2)cc1 96423954 MMBHUDLNWMXAAY-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB CCC[C@@H](C)c1cc(NS(=O)(=O)Cc2ccccc2)[nH]n1 89949481 OIPQWCDEOICDCT-GFCCVEGCSA-N 307.419 3.255 0 40 DGAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 72282341 APCPMVDYDWJSDV-TZMCWYRMSA-N 303.431 3.072 0 40 DGAB Cc1cc(C)nc(NC[C@H](c2cccs2)N2CCCC2)n1 97008954 BDGKXRHCXYNLBM-CQSZACIVSA-N 302.447 3.404 0 40 DGAB CN1CCC[C@H]1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 97079797 ZGKZKUYMSXYCLI-QMMMGPOBSA-N 323.607 3.385 0 40 DGAB CC(C)Cn1ncnc1C[S@](=O)[C@H]1CCc2c(F)cccc21 97047716 AMALVIRRLDWJMI-OYHNWAKOSA-N 321.421 3.009 0 40 DGAB CCc1ccc([C@H]2C[C@@H](C)CCN2CCCS(C)(=O)=O)o1 76145162 MRQVKNAMOWTNDE-DZGCQCFKSA-N 313.463 3.050 0 40 DGAB Fc1cccc(C[C@H]2CCCN2c2cc(-n3ccnc3)ncn2)c1 77191964 NXGCJIFSRAGHFZ-MRXNPFEDSA-N 323.375 3.013 0 40 DGAB CO[C@@H]1CCCC[C@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 84642864 MXIUEUQVKXUMSJ-CHWSQXEVSA-N 322.371 3.461 0 40 DGAB CC(C)Cc1cnc(NC(=O)N(C)CCCn2ccnc2)s1 95426843 AKWDZSNABGODBK-UHFFFAOYSA-N 321.450 3.092 0 40 DGAB COc1cc(CN(C)Cc2ccncc2)c(SC)cc1OC 78876637 KBUXCQPPLONFKY-UHFFFAOYSA-N 318.442 3.453 0 40 DGAB CCOC(=O)C[C@@H](C)NC(=O)Nc1cc(Cl)ccc1Cl 79107737 ZKYPWAOXTWMFCW-MRVPVSSYSA-N 319.188 3.457 0 40 DGAB CCNCc1ccccc1NC(=O)[C@H](C)c1c(C)noc1C 95971519 YXFXSBMQIYJGBS-LLVKDONJSA-N 301.390 3.143 0 40 DGAB Cn1ccnc1-c1nnc(NCc2ccc(Cl)cc2)s1 95990308 GGLWFFFGVXFVFB-UHFFFAOYSA-N 305.794 3.204 0 40 DGAB CCN(CCCOc1ccc(NC(C)=O)cc1)CC(F)(F)F 95945730 UOTGPTVQYITCTK-UHFFFAOYSA-N 318.339 3.298 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]1c1ccco1 75130562 IYPYGQRDPOWTEW-KKUMJFAQSA-N 313.401 3.097 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1nc2ccccc2n1C 75132487 OTTFVFBBIAXGPH-KRWDZBQOSA-N 323.444 3.261 0 40 DGAB COc1ccc(OC)c(COC(=O)[C@H]2C[C@H]2c2ccco2)c1 121335866 XERCYRSFPWZXGB-KGLIPLIRSA-N 302.326 3.144 0 40 DGAB CNc1nnc(SCc2cnc(Br)s2)s1 521395188 WIQWEMBAYMUZMK-UHFFFAOYSA-N 323.266 3.091 0 40 DGAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1cccc(F)c1 36635742 NBOMAMRYPQIMMR-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2cc(Cl)ccn2)cc1 32818578 DCXLUBYOSHCSAM-UHFFFAOYSA-N 317.820 3.164 0 40 DGAB NC(=O)c1ccc(OCc2cccc(F)c2)c(Br)c1 216819120 HDFFFTRQYNBNMN-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB Cc1c(CCC(=O)Nc2ccc(C(F)(F)F)cc2)cnn1C 32610473 URJNFGNEOHTWAJ-UHFFFAOYSA-N 311.307 3.319 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1ccccc1 71195540 SWYAUZDGYMXLAP-INIZCTEOSA-N 318.380 3.075 0 40 DGAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)N1CCCC1 71326422 ZOYLSDUWWDTCBG-UHFFFAOYSA-N 322.821 3.480 0 40 DGAB COc1ccc(C)cc1NC(=O)c1c[nH]c2ccccc2c1=O 73509382 JCPPPMHFDXNRQT-UHFFFAOYSA-N 308.337 3.097 0 40 DGAB C[C@](O)(CCc1ccccc1)CNC(=O)Nc1cccs1 62021521 JODZLDAKUVBQST-INIZCTEOSA-N 304.415 3.253 0 40 DGAB Cn1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)cn1 78604170 AKCODCZVAXSFMB-VXGBXAGGSA-N 309.291 3.181 0 40 DGAB COC(=O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 71261636 IBFQRCJXZZIXGG-UHFFFAOYSA-N 309.321 3.103 0 40 DGAB CCc1[nH]c(C(=O)N(C2CC2)[C@H](C)C(C)C)c(C)c1C(=O)OC 49683489 QLYFEUGMACZZSI-GFCCVEGCSA-N 320.433 3.321 0 40 DGAB CCOC(=O)c1cccc(NCc2ccc(C(=O)OCC)o2)c1 40174281 YPOFEIJRBHQNLG-UHFFFAOYSA-N 317.341 3.245 0 40 DGAB COc1ccc(C(=O)CCC(=O)Nc2ccccc2)c(OC)c1 49926486 VOSLNQWNTZTMCN-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1OC 44946390 JZEOTEMUIKVZOG-MRXNPFEDSA-N 315.369 3.500 0 40 DGAB CCN(C(=O)[C@@H](C)C(=O)O)[C@@H](C)c1cccc(C(F)(F)F)c1 574452948 NGWIKFZBXMPQOI-ZJUUUORDSA-N 317.307 3.336 0 40 DGAB O=C(NCCc1ccccc1OC(F)F)N1C[C@H]2CC[C@H]1C2 191574675 DKJIIMHKDNLMHD-AAEUAGOBSA-N 310.344 3.024 0 40 DGAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1Cc1ccco1 223331903 UKAZIRUWYZHBRJ-HZPDHXFCSA-N 324.409 3.175 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2)c1C 224430001 ZNEVVSDHHYFEFJ-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 95423910 NRKKRGGMOJABBG-SJCJKPOMSA-N 322.399 3.407 0 40 DGAB CCCC12CN3CC(CCC)(CN(C1)C3c1cccs1)C2O 96463820 ZAVUXPPCDWQFIE-UHFFFAOYSA-N 320.502 3.325 0 40 DGAB biogenic Cc1ccc(CN2C[C@H]3CN(c4ccsc4)C(=O)[C@H]3C2)s1 96053684 BPXZAQLAJVSWFD-WFASDCNBSA-N 318.467 3.213 0 40 DGAB COc1ccc(C[C@H](C)CN(C)C(=O)c2cncc(F)c2)cc1 97230117 SAQQABLJVHMYDX-ZDUSSCGKSA-N 316.376 3.180 0 40 DGAB Cc1nc(-c2noc3ccc(C(=O)Nc4cccnc4)cc23)co1 96088139 UBWVLROEAOWCLY-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB Cc1csc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n1 96192514 JONDGCYOOSXWGV-OAHLLOKOSA-N 319.361 3.112 0 40 DGAB FC(F)(F)c1ccc(N2CCN(Cc3ccccc3)CC2)cn1 95080926 PDFOHRCWFUKKQA-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB COc1cccc(C(=O)N2CCC[C@H]2CCc2ccncc2)c1 257237915 HITZZGAZTYCABP-KRWDZBQOSA-N 310.397 3.328 0 40 DGAB CCn1cc(CN2CCC[C@@H](Cc3cccc(C)n3)C2)c(C)n1 257214606 CMPPTYRIABPXPX-KRWDZBQOSA-N 312.461 3.370 0 40 DGAB CCc1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)on1 257214092 CKMOKLBEDJRHPY-UHFFFAOYSA-N 319.430 3.196 0 40 DGAB Cc1cccc(C[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 257234901 GVNVAPCSQFDAES-HNNXBMFYSA-N 314.454 3.475 0 40 DGAB COCCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCO2)n1 273784326 GXWYMRXEYZNYSM-ZDUSSCGKSA-N 324.764 3.267 0 40 DGAB C[C@H](Sc1nnnn1C1CC1)C(=O)c1ccc(Cl)cc1 16375655 XVBCDDPZINTQTE-QMMMGPOBSA-N 308.794 3.025 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)Cc3ccccc3)c[nH]2)cc1 13608797 KCDSLFROXZYULU-UHFFFAOYSA-N 319.408 3.287 0 40 DGAB Cc1cc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)ccc1F 154996861 SZTZSIDPOGLKTD-KRWDZBQOSA-N 321.417 3.010 0 40 DGAB O=C(NCC1CCN(Cc2ccco2)CC1)C1CCCCC1 23016604 MZCLTEYRQWMVOM-UHFFFAOYSA-N 304.434 3.188 0 40 DGAB CN(C)C[C@@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 28317138 FNNWVDKWZQSCOX-HXUWFJFHSA-N 320.440 3.265 0 40 DGAB O=C(Cc1cccs1)N1CCN=C1SCc1ccccc1 429408 YXQGTCHPTNCMLX-UHFFFAOYSA-N 316.451 3.422 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ccnc3ccsc23)C1 2086882914 ANDTUDBAXLRLHH-LLVKDONJSA-N 303.431 3.037 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 108643055 ULEYDNXFHXQZMC-ZDUSSCGKSA-N 320.437 3.119 0 40 DGAB Cc1csc([C@H](NC(=O)c2cccc(N(C)C)c2)C2CC2)n1 96425468 DEYRKXGGVAXBBF-OAHLLOKOSA-N 315.442 3.399 0 40 DGAB COC(=O)c1ccc(NC(=S)N(C)c2ccccc2)cc1 134263 HOCVDXFIOYOPOG-UHFFFAOYSA-N 300.383 3.306 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCc2cccc(F)c2)on1 45593410 LPNKTRWWIYRMOT-AWEZNQCLSA-N 303.337 3.169 0 40 DGAB C[C@H]1CCc2onc(C(=O)NCCc3c[nH]c4ccccc34)c2C1 20572080 OKRNHOBXAQYLIH-LBPRGKRZSA-N 323.396 3.253 0 40 DGAB Cc1cccc(CCNCc2cc3ccc(C)cc3[nH]c2=O)c1 4160534 JEFYXWZCQQBXPH-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 6486782 IXZISWICNFSYLD-NSHDSACASA-N 317.316 3.018 0 40 DGAB CCCc1n[nH]c(SCc2noc(-c3cccc(C)c3)n2)n1 32331031 FQJOOKGWRGZTPF-UHFFFAOYSA-N 315.402 3.408 0 40 DGAB O=c1c(NCc2ccccc2)nccn1-c1cccc(Cl)c1 20986709 HCCHPOINOQOTBA-UHFFFAOYSA-N 311.772 3.498 0 40 DGAB CCN(C(=O)CSc1nnc(C2CC2)n1C)C1=CCCCC1 6610023 IFSFPOYMRIDNLK-UHFFFAOYSA-N 320.462 3.091 0 40 DGAB S=C(Nc1ccc(Br)cn1)NC1CCCC1 6971223 XDQSTHSIQRBWAD-UHFFFAOYSA-N 300.225 3.073 0 40 DGAB C[C@H](Nc1ccc2nnnn2n1)c1ccc(-c2ccccc2)cc1 29526123 LYJHZLMCAQYSEM-ZDUSSCGKSA-N 316.368 3.359 0 40 DGAB C[C@@H](Sc1nnc2ccccn12)c1nc(-c2ccco2)no1 29738653 AIPARNNODNHRAJ-SECBINFHSA-N 313.342 3.226 0 40 DGAB CCOc1ccccc1CN(C[C@H](C)O)C(=O)c1ccccc1 32819156 YOIZEFHHHZUZEL-HNNXBMFYSA-N 313.397 3.109 0 40 DGAB CN1CCCC[C@@H]1CCSc1nccc(C(F)(F)F)n1 32903557 NYWGOPNGTHEIPN-SNVBAGLBSA-N 305.369 3.462 0 40 DGAB COC(=O)c1ccc(NC(=O)Nc2ccc3nccnc3c2)cc1 107813749 FYYDZNWJNKPLCJ-UHFFFAOYSA-N 322.324 3.060 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c1 100184608 TZHHQUNYLQIQEU-JOCBIADPSA-N 321.376 3.147 0 40 DGAB CC(C)[C@H](C)NC(=O)c1cccc(OCc2cscn2)c1 21872368 NQNVOIARMOAYDM-LBPRGKRZSA-N 304.415 3.496 0 40 DGAB CN(Cc1ccco1)C(=O)NCC1(c2ccccc2F)CC1 71914623 UEDFXJJYSJQFKN-UHFFFAOYSA-N 302.349 3.292 0 40 DGAB NC(=O)[C@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1 71921783 ONNDBCWFYSJWNP-CYBMUJFWSA-N 301.733 3.120 0 40 DGAB CN(C)c1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 22389209 FXRARMOQTIHSCZ-UHFFFAOYSA-N 310.401 3.000 0 40 DGAB O=C(NCCCNCc1ccccc1)c1cccc2cccnc12 22501015 GEOPOPLODRJAOW-UHFFFAOYSA-N 319.408 3.145 0 40 DGAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1F 22134346 CIQFQJONHFFTJJ-MRXNPFEDSA-N 323.364 3.394 0 40 DGAB CN1CCc2nc(NC(=O)c3cc4ccccc4o3)sc2C1 22905100 MHVXLZAMOSWCOX-UHFFFAOYSA-N 313.382 3.130 0 40 DGAB O=C(NCc1cccnc1)c1cnn(-c2ccccc2)c1C1CC1 12546021 LEVCCMSMIALNJI-UHFFFAOYSA-N 318.380 3.075 0 40 DGAB FC(F)n1ccnc1CSc1nnc2[nH]c3ccccc3n12 12530285 JVWQOQDITQKKSJ-UHFFFAOYSA-N 320.328 3.095 0 40 DGAB Cc1csc(N2CCN([C@H](C)c3cccnc3)C[C@H]2C)n1 106840804 SAJCVKNZNHBLIA-ZIAGYGMSSA-N 302.447 3.118 0 40 DGAB Cn1cc(NC(=O)c2ccc(-n3cnc4ccccc43)cc2)cn1 25306412 BUNDTUBLIAYZAW-UHFFFAOYSA-N 317.352 3.011 0 40 DGAB O=C(CN1Cc2ccccc2[C@H](c2ccccc2)C1)N1CCCC1 43669872 ZMNYXMSKXJUTRR-FQEVSTJZSA-N 320.436 3.257 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)SCc1cc(C)no1 56229829 LSGLPORMAHVHLG-NSHDSACASA-N 306.387 3.252 0 40 DGAB CSc1ncc(C(=O)Nc2cccnc2)n1-c1ccccc1 12538575 VKBLHPZIFREBEF-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB C[C@@H](CNC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 89953411 RYAUSUYIMUYBIS-ZDUSSCGKSA-N 307.353 3.270 0 40 DGAB Cc1nc(-c2ccc(NC(=O)C/C=C/C(=O)O)cc2)cs1 44980270 GKGSQVLAQZKKHN-DUXPYHPUSA-N 302.355 3.088 0 40 DGAB CCCC(C)(C)NC(=O)Cc1csc(-c2cccnc2)n1 58341910 JHUROKGSRMEWNK-UHFFFAOYSA-N 303.431 3.443 0 40 DGAB CCOc1ncccc1C(=O)NCCc1cccc2cccnc12 12771028 CQIBJEUJGSLGSM-UHFFFAOYSA-N 321.380 3.001 0 40 DGAB CCCCn1nnnc1CSc1nc2ccccc2s1 48309391 QSQXHHWTAPZCMT-UHFFFAOYSA-N 305.432 3.375 0 40 DGAB CC(C)c1noc([C@@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 38488348 VUDIBXPOGAPCNL-CQSZACIVSA-N 311.385 3.202 0 40 DGAB Cc1ccc(N2C(=O)CS[C@@]23C(=O)Nc2ccccc23)cc1C 4104555 UPEAWSLWYOETRW-SFHVURJKSA-N 324.405 3.188 0 40 DGAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CC)C2 6039770 DFWOQRIILAHKGS-SNVBAGLBSA-N 308.447 3.491 0 40 DGAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCn2c1nc1ccccc12 5208245 OKGYXLUVJHUKAG-UHFFFAOYSA-N 320.327 3.317 0 40 DGAB C[C@H]1COCCN1C(=O)c1ccc(Sc2ccccn2)cc1 65529101 IZXDAURIPKNNTF-ZDUSSCGKSA-N 314.410 3.094 0 40 DGAB Cc1ccccc1-n1ncc2c1ncn1c(-c3ccco3)nnc21 5325215 IHQVQIXSMUYFNY-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB N=c1oc2ccc(Cl)cc2cc1C(=O)Nc1nccs1 6567472 ONBHHFZTXFVARB-UHFFFAOYSA-N 305.746 3.274 0 40 DGAB COCc1cccc(N[C@@H](C)C(=O)N(C)Cc2ccccc2)c1 69486375 FFMLCTKVTPPQDD-HNNXBMFYSA-N 312.413 3.292 0 40 DGAB Clc1ccccc1-c1[nH]ncc1-c1nnnn1-c1ccccc1 5635484 UJUFOTHFCATCJS-UHFFFAOYSA-N 322.759 3.373 0 40 DGAB CC(C)c1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 7055484 ICVXZEZCOKCKJB-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccncc1 7504631 GWGBEKFPQGCLHP-UHFFFAOYSA-N 304.777 3.210 0 40 DGAB CCOC(=O)c1sc([C@H](C)NC(=O)c2occc2C)nc1C 89984809 WHBCZUQVWXQIAR-JTQLQIEISA-N 322.386 3.021 0 40 DGAB Cc1cn2c(CN3CCC[C@@H](c4cn[nH]c4)C3)c(C)nc2s1 92810018 DWIQQLQLIAPOAN-CYBMUJFWSA-N 315.446 3.115 0 40 DGAB CC[C@@](C)(CNC(=O)C1(c2cccc(F)c2)CCC1)[C@H](C)O 89942064 DLIDSYVLTPKHMP-GUYCJALGSA-N 307.409 3.161 0 40 DGAB CCN(Cc1ccccn1)Cc1cc(OC)cc2c1O[C@H](C)C2 93338646 SAEXJVAGDSPTFI-CQSZACIVSA-N 312.413 3.436 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)[C@@H]1CC(=O)N(C2CCCC2)C1 9363947 RTNDNNOCRNKIIZ-SNVBAGLBSA-N 324.783 3.209 0 40 DGAB Cc1nc(CNC(=O)N[C@@H](C)Cc2ccsc2)sc1C 96439352 ZUZAOWOKFQNVHR-VIFPVBQESA-N 309.460 3.252 0 40 DGAB CC(=O)N1C[C@@H](C(=O)Nc2cccc(C)c2C)Oc2ccccc21 9503801 HFJRTMQPWJGKGF-SFHVURJKSA-N 324.380 3.056 0 40 DGAB O=C1OC(c2ccccc2)=N/C1=C/C1=Cc2ccccc2OC1 96935607 HVTLMRWSDLSIDX-LFIBNONCSA-N 303.317 3.350 0 40 DGAB CCc1cnccc1C(=O)N[C@@H](c1ccn(C)c1)C(F)(F)F 97110754 DGKIYNMOVUUIKR-ZDUSSCGKSA-N 311.307 3.016 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@H](C)c2c(C)n[nH]c2C)cn1 97107227 MHYZBKSBUHACAU-LLVKDONJSA-N 315.421 3.010 0 40 DGAB O=C(Nc1ccc2c(c1)COC2)N1CCCC[C@@H]1c1cn[nH]c1 97113545 OCRWGVXMXCHTPF-MRXNPFEDSA-N 312.373 3.199 0 40 DGAB CNC(=O)N1CCC(OCc2ccc(Cl)c(Cl)c2)CC1 95414495 NPSDTWJSSJPZHU-UHFFFAOYSA-N 317.216 3.314 0 40 DGAB O=C(O[C@H]1CCSc2ccccc21)c1ccc2nncn2c1 73289491 LPUIHRLBOQDJTK-ZDUSSCGKSA-N 311.366 3.123 0 40 DGAB O=C(Nc1cccnc1Cl)[C@H]1CC(c2cccc(F)c2)=NO1 79431136 RNHKZUDFZOEXIV-CYBMUJFWSA-N 319.723 3.006 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 89289172 IJCOOXOIKIBWQY-ZNMIVQPWSA-N 311.422 3.040 0 40 DGAB COCc1nccc([C@H]2CCCN(Cc3cccc(F)c3)C2)n1 89420466 ZRWXHDWOSIXVJO-HNNXBMFYSA-N 315.392 3.142 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@H](C)c2nc(C)cs2)s1 75092115 BORYAQXMVFBEEY-SNVBAGLBSA-N 324.475 3.373 0 40 DGAB c1csc(CN2CCn3c(-c4ccsc4)cnc3C2)n1 306137337 QTMUREGRRUHVNA-UHFFFAOYSA-N 302.428 3.084 0 40 DGAB Cn1nc2c(c1NC(=O)Cc1ccc3ccccc3c1)CCC2 38510657 PPIPPWCGJYIRPW-UHFFFAOYSA-N 305.381 3.243 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)NCCC2=CCCCC2)c1 72331127 OTYHYOCKOZLNMM-UHFFFAOYSA-N 315.413 3.087 0 40 DGAB COc1cccc(C(=O)NC[C@@H](O)c2cccc3ccccc23)c1 70635961 CKMJLYOKYYVVKY-LJQANCHMSA-N 321.376 3.312 0 40 DGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1cccs1 7213620 HYLNZSWFWOZQPX-VQHVLOKHSA-N 313.831 3.492 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCN1CCCCC1 40107515 WGEWOLYCUKECIA-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB CC(C)Cc1noc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123245 CIBAGIIQPDZKKU-AWEZNQCLSA-N 305.422 3.164 0 40 DGAB Cc1csc(CN2CCc3nccc(Br)c3C2)n1 521396546 ZCBXBHJGAJGULI-UHFFFAOYSA-N 324.247 3.167 0 40 DGAB CCc1noc([C@@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 41122329 GHTZGNYZGVTMSY-CQSZACIVSA-N 305.422 3.308 0 40 DGAB CC(C)N(C)CC(=O)N[C@@H](C)c1ccc(-c2cccnc2)cc1 81992439 UBUYKUQFIKPNOP-HNNXBMFYSA-N 311.429 3.266 0 40 DGAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(F)c1 225096592 WPHCQABATFOUIX-UHFFFAOYSA-N 323.389 3.222 0 40 DGAB O=C(NCC(F)F)Nc1c(F)cc(F)cc1Br 192281695 AAUMQMVSSXNSJN-UHFFFAOYSA-N 315.064 3.114 0 40 DGAB CC(C)[C@@H](NC(=O)CC[S@@](C)=O)c1ccc(Cl)cc1F 195557819 ODWVQSPKUVEVBB-JLTOFOAXSA-N 319.829 3.061 0 40 DGAB CCCC[C@@H](CC)CNC(=O)COc1cc(OC)cc(OC)c1 224254395 ZAYRQPUPDNCAEM-CQSZACIVSA-N 323.433 3.415 0 40 DGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCS1 96443120 FLNSOQFAAVEBIB-NSHDSACASA-N 324.789 3.329 0 40 DGAB COCc1ccccc1C(=O)NCCc1ccc(C)c(OC)c1 96420558 DIVIINWNXSTRSM-UHFFFAOYSA-N 313.397 3.123 0 40 DGAB Cc1ccccc1[C@H]1CN(C(=O)CCc2ccccn2)[C@@H](C)CO1 96425673 HGSORRLPROCKBY-QFBILLFUSA-N 324.424 3.311 0 40 DGAB C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)C(C)(C)C 96431030 XPRRSKULZTXVFN-LLVKDONJSA-N 324.421 3.469 0 40 DGAB CCS[C@H]1CC[C@]1(O)CNC(=O)Nc1ccccc1Cl 96451120 AMYBGCIOCSCASK-JSGCOSHPSA-N 314.838 3.108 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2nnc(C)o2)cc1 96442075 VRMYABKPJPAAMP-SNVBAGLBSA-N 313.313 3.259 0 40 DGAB COc1ccc(C)nc1NC(=O)[C@@H]1CSc2ccccc21 96445657 HRURAWUJEMUKMX-GFCCVEGCSA-N 300.383 3.227 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1ccc(C)s1 245237848 ZINGKEJQYJJENF-XQQFMLRXSA-N 307.415 3.003 0 40 DGAB Cc1cc(C(F)(F)F)nc([C@@]2(C)CCCN2c2ncccn2)n1 257329570 XKMXOPRICUTOHJ-CQSZACIVSA-N 323.322 3.109 0 40 DGAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cnsn1 585094442 DNVGRGXYDRZNHX-QMMMGPOBSA-N 307.810 3.261 0 40 DGAB O=C(NCCc1ccccn1)[C@@H](c1cccnc1)C1CCCCC1 585121750 YFJKDMZGVVFLFX-LJQANCHMSA-N 323.440 3.499 0 40 DGAB COc1cc(CN(C)[C@H](C)c2ncccn2)ccc1OC(F)F 585120824 NYURLPHFPIISFT-LLVKDONJSA-N 323.343 3.280 0 40 DGAB CCCn1nc(C)c(C(=O)N2CCCC[C@@H]2c2ccn[nH]2)c1C 257294860 QWAJJOJXXJSNQG-OAHLLOKOSA-N 315.421 3.000 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@@H]1CCSc3ccccc31)CN2 58304961 DCJCYBHPVQBMKW-UKRRQHHQSA-N 314.458 3.060 0 40 DGAB CC(=O)N1CCC(CCN[C@@H](C)c2ccccc2N(C)C)CC1 93946910 CAUWZDJEYIYHRM-HNNXBMFYSA-N 317.477 3.052 0 40 DGAB Cc1oc(CN(C)C(=O)CCc2ccccc2F)cc1C(=O)O 95425065 FDPWIHWPITVUQP-UHFFFAOYSA-N 319.332 3.017 0 40 DGAB O=C(CSC1CCCC1)NC[C@](O)(c1ccccc1)C1CC1 96025987 BSSNXIUWFFOHOK-SFHVURJKSA-N 319.470 3.076 0 40 DGAB CC(C)n1cc(NC(=O)c2cncnc2-c2ccccc2)cn1 558387154 NEYFVLFUOCXWST-UHFFFAOYSA-N 307.357 3.173 0 40 DGAB CC(C)(C)c1ccc(C(=O)N2CC(Oc3ccncc3)C2)cc1 589988586 QKONKJJPLIXCGD-UHFFFAOYSA-N 310.397 3.283 0 40 DGAB O=C1COCC(=O)N1c1ccc(Oc2ccc(Cl)cc2)cc1 5674267 SIYQOKUWEOIFRC-UHFFFAOYSA-N 317.728 3.022 0 40 DGAB CCCn1nc(C)c(CN(C)Cc2n[nH]c3c2CCCC3)c1C 12147157 UVFWXOJWJJPBTO-UHFFFAOYSA-N 315.465 3.144 0 40 DGAB Cc1cccc(NC(=O)CSc2ccccc2C(=O)O)c1 13189144 VXDIWYZSQPOKFV-UHFFFAOYSA-N 301.367 3.424 0 40 DGAB O=C(CCC(=O)c1cccs1)N[C@H]1CCOc2ccccc21 6948257 NXPVOPYLHVYQLJ-ZDUSSCGKSA-N 315.394 3.351 0 40 DGAB O=C(NC1CC1)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN1 953083723 VHTWTMNLNYARQF-NRFANRHFSA-N 320.436 3.297 0 40 DGAB Cc1cc(N2CCC[C@H](COc3ncccc3Cl)C2)ncn1 2298187283 RWWQJJBQMDSBKZ-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCO2 40074704 JALYWVACZUJUEE-SECBINFHSA-N 307.733 3.023 0 40 DGAB Cc1ccccc1C(=O)NCc1ccccc1-n1ccnc1C 20110679 HLNXXDYXJPLWGM-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB O=C(CCOc1ccccc1)NCc1nc2ccccc2s1 31098180 AHTOGNMOIQXRFC-UHFFFAOYSA-N 312.394 3.382 0 40 DGAB COc1ccc(N(C)C(=O)Nc2ccc3nsnc3c2)cc1 205122 RNSGPJXHNMALFZ-UHFFFAOYSA-N 314.370 3.368 0 40 DGAB CC(=O)c1nn(-c2ccc(F)cc2)cc1C(=O)c1ccccc1 36649139 XFYFLBJNRVAGQR-UHFFFAOYSA-N 308.312 3.445 0 40 DGAB CC(C)(C)c1ncc(CNc2ccc(CC(N)=O)cc2)s1 59181103 NGUFYNZFCHZTFU-UHFFFAOYSA-N 303.431 3.081 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N[C@H](c1ccccc1)C1CC1 11211770 LCQWAPDZGIMFFG-HXUWFJFHSA-N 323.392 3.268 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1ccccc1F 7709435 LBODIVLKSINRFD-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB CCn1ccnc1S[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 11889056 SSEABRUJEBSKSH-LBPRGKRZSA-N 317.414 3.225 0 40 DGAB Cc1cc(Cn2ncc3ccccc3c2=O)c2ccccc2n1 71913918 OWGPPLXLKXTIAS-UHFFFAOYSA-N 301.349 3.301 0 40 DGAB [O-][n+]1c2c(n(O)c1-c1cccnc1)-c1cccc3cccc-2c13 6276693 CIXOYXUDVCYDKL-UHFFFAOYSA-N 301.305 3.221 0 40 DGAB CCCN1C(=O)S/C(=C/c2cccc(OCC)c2O)C1=O 6879166 GAPJEFXBYDEYGF-FMIVXFBMSA-N 307.371 3.237 0 40 DGAB COC(=O)c1cc(CSc2nc(C)c(C)c(C)n2)oc1C 7696122 QXMSFUXDKHPWHU-UHFFFAOYSA-N 306.387 3.382 0 40 DGAB Cc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1 2635397 XXNNYIJYSIECAF-UHFFFAOYSA-N 302.280 3.296 0 40 DGAB COc1ccc(-c2ccc(/C=C/C(N)=O)o2)c(Br)c1 57353780 KXRMHBGOZGKCNO-QPJJXVBHSA-N 322.158 3.216 0 40 DGAB CC1CCC(=CC(=O)N2CCC[C@H](CNC(=O)C(C)C)C2)CC1 71908122 DFGGMPPRQJYCHC-OMOCHNIRSA-N 320.477 3.134 0 40 DGAB CC(C)(C)c1cnc(CN2CCN(c3ccccc3F)CC2)o1 41646406 SLHPJQIVXLENIU-UHFFFAOYSA-N 317.408 3.433 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@H](C(=O)N1CCCCCC1)[C@H]2C(=O)O 102596104 HUDUFLMCJZOISQ-VDERGJSUSA-N 305.418 3.082 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC1CC(C)(C)NC(C)(C)C1 61031767 LIRABYPLSMAMSI-UHFFFAOYSA-N 307.438 3.145 0 40 DGAB C[C@@H](Sc1nc(C(C)(C)C)n[nH]1)C(=O)Nc1ccc(F)cc1 12257438 FNRJJCPHALPYBM-SECBINFHSA-N 322.409 3.361 0 40 DGAB Cc1nc(COc2ccc(F)cc2)sc1C(=O)NC1CC1 23054968 OHKZYHXYFGFRDN-UHFFFAOYSA-N 306.362 3.062 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@@H]1CCCC[C@@H]1C 109351264 LGPUFMUNOIMBHS-BSWGFACKSA-N 315.413 3.326 0 40 DGAB COc1ccc2c(CC(=O)Nc3ccc(OC)nc3)coc2c1 12484422 ZBZLLOJEBPRZMC-UHFFFAOYSA-N 312.325 3.026 0 40 DGAB COC(=O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 12417577 IOQFFVWYRWJEKD-AWEZNQCLSA-N 324.332 3.194 0 40 DGAB biogenic,in-vitro CC(C)CN1CCC(NC(=O)NCc2ccc(Cl)cc2)CC1 42860455 NIPCNBIHHIQIIN-UHFFFAOYSA-N 323.868 3.260 0 40 DGAB CCO[C@H](C(=O)N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 106668915 AAOBBQSMBJCAOK-HKUYNNGSSA-N 324.424 3.159 0 40 DGAB CC(=O)c1cn(S(=O)(=O)c2ccc(C)cc2)c2ccccc12 1613270 DNDMNPLPNYMHGJ-UHFFFAOYSA-N 313.378 3.389 0 40 DGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1n[nH]cc1Cl 28229312 YALVHMNFTWNHHR-UHFFFAOYSA-N 305.643 3.214 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCN(C)C[C@H]2C)c1 108111129 SQFQXDXUSPEOHV-DOMZBBRYSA-N 309.841 3.452 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3cccc(F)c3)no2)cc1 64988176 NUEDTQHGENKCAL-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB C[C@@H](NC(=O)CN(C)[C@H](C)c1cccnc1)c1cccs1 108364419 REFSBVXITHUNSX-CHWSQXEVSA-N 303.431 3.013 0 40 DGAB Cc1c(NC(=O)NCCCn2ccnc2)cccc1OC(F)F 69775044 GAFRSWFIMHNWKB-UHFFFAOYSA-N 324.331 3.005 0 40 DGAB NC(=O)Nc1ccc(C(=O)OCc2ccccc2Cl)cc1 3443407 TXOLARFGRVHCRS-UHFFFAOYSA-N 304.733 3.188 0 40 DGAB CCc1cc(C(=O)N[C@H]2CCCc3c2cnn3C)sc1C 12974368 ZOEMOVHUFJAUQM-ZDUSSCGKSA-N 303.431 3.160 0 40 DGAB C[C@H](C(=O)Nc1ccc(OC(F)F)c(Cl)c1)n1cccn1 12904847 LBJCUBCEHPHIJC-MRVPVSSYSA-N 315.707 3.338 0 40 DGAB CC(C)[C@H](C)NC(=O)COC(=O)c1c(Cl)cccc1Cl 3529723 DZZWSMHDZWMZJH-VIFPVBQESA-N 318.200 3.311 0 40 DGAB C[S@](=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 48942630 QDXHTPJFXPAZFR-HXUWFJFHSA-N 306.412 3.010 0 40 DGAB CC(C)CCc1nc(CSc2nnc(N)s2)cs1 49151704 IHUJRQZZJCJNDX-UHFFFAOYSA-N 300.478 3.458 0 40 DGAB COCCNc1nnc(Sc2nc3ccccc3s2)s1 49237699 NBMRMSMEVIGOFQ-UHFFFAOYSA-N 324.456 3.357 0 40 DGAB Cc1cc(C)cc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c1 4385195 BGMWKNVJUUPEPN-HNNXBMFYSA-N 314.429 3.105 0 40 DGAB Cc1cc(N[C@H](C)Cc2ccncc2)nc(N2CCCCC2)n1 65382488 XAIXAWRLGAUUHU-CQSZACIVSA-N 311.433 3.213 0 40 DGAB COc1ccc2cc(C(=O)N(Cc3cccnc3)C3CC3)[nH]c2c1 65512952 NHEVXXPJPLXEFL-UHFFFAOYSA-N 321.380 3.376 0 40 DGAB NC(=O)c1c(NC(=O)CC2CCCC2)sc2c1CCCC2 14228424 CRSLAYBWGVRYQL-UHFFFAOYSA-N 306.431 3.245 0 40 DGAB O=C(NCCOCC(F)(F)F)c1ccc(Cl)c(Cl)c1 4761288 JLMUEPLDKBLPDV-UHFFFAOYSA-N 316.106 3.302 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)n1ccc(C(F)(F)F)n1 27973878 BDNGGFARGSGYQK-ZETCQYMHSA-N 318.686 3.150 0 40 DGAB CC(=O)OCc1ccc(C(=O)Nc2cccc(C(C)=O)c2)cc1 6905924 ZSDQVFQNEVXCQW-UHFFFAOYSA-N 311.337 3.205 0 40 DGAB Fc1cccc(-c2cn[nH]c2C2CCN(c3cnccn3)CC2)c1 67714139 KKAAMLGSESRILA-UHFFFAOYSA-N 323.375 3.390 0 40 DGAB O=C(N[C@H]1CCC[C@H](C2CC2)C1)c1ccccc1Cn1cncn1 80489782 ZIPRIHINPRXDNW-RDJZCZTQSA-N 324.428 3.025 0 40 DGAB Cc1ccc(NC(=S)NCCNc2ccccn2)cc1Cl 7442862 RIJJOWBJGUCHSK-UHFFFAOYSA-N 320.849 3.442 0 40 DGAB CN(CCc1ccccn1)C(=O)c1cc(-c2ccccc2)no1 68014628 FGAVVDKDBLJNIG-UHFFFAOYSA-N 307.353 3.051 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 71042357 FPECAUPDLHUTFP-ZDUSSCGKSA-N 320.414 3.290 0 40 DGAB O=S(=O)(c1c(Cl)cccc1C(F)(F)F)N1CCCC1 89768082 VTAKGVUGVLNWTG-UHFFFAOYSA-N 313.728 3.143 0 40 DGAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(-n2cccn2)cc1 75347609 QMOKPQNYYFAIFL-GFCCVEGCSA-N 322.368 3.229 0 40 DGAB C[S@@](=O)c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1 93666197 YQMAHJOJHLKLEV-JTSKRJEESA-N 321.486 3.348 0 40 DGAB Cc1cccc(-c2ccc(C(=O)N(C)[C@@H](C)C3CC3)c(=O)[nH]2)c1 71793183 CZNMEKLKUOYGLQ-ZDUSSCGKSA-N 310.397 3.221 0 40 DGAB COc1cccc([C@@H]2SCC(=O)N2c2ncc(C)s2)c1 19926982 VKZHKTHHLPUXKX-ZDUSSCGKSA-N 306.412 3.239 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)c3c(C)noc3C(C)C)C2)n[nH]1 84110635 MYTCGVKGBPZLQS-CYBMUJFWSA-N 316.405 3.158 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)c1ccc(C(=O)O)s1)C1CC1 97017684 KJNSQSZQMBYNFX-VIFPVBQESA-N 305.355 3.405 0 40 DGAB Cc1cc(C)nc(NC[C@@H](c2cccs2)N2CCCC2)n1 97008951 BDGKXRHCXYNLBM-AWEZNQCLSA-N 302.447 3.404 0 40 DGAB CC(C)c1csc([C@@H]2CCCN(C(=O)c3ncccn3)C2)n1 72300323 HAHNSPKAPPGUJH-GFCCVEGCSA-N 316.430 3.076 0 40 DGAB CCn1c([C@H]2CCCN(C(=O)C3(C)CCCC3)C2)n[nH]c1=S 78622269 XUJZIDBHLFSLNM-LBPRGKRZSA-N 322.478 3.247 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2cc(C(F)(F)F)ccc2O)c1 78992673 YJBNVRFPMOEPHM-UHFFFAOYSA-N 312.247 3.194 0 40 DGAB C[C@H]1Cc2ccccc2N1CCNC(=O)/C=C/c1ccc(F)cc1 95385737 SZOQBFQTBLVWLO-SHQCLWGWSA-N 324.399 3.406 0 40 DGAB CCC(C)(C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 95392610 JZNOHGZFUFVSAW-VIFPVBQESA-N 324.475 3.161 0 40 DGAB CC(C)C[C@H](C(=O)N[C@H]1CCC[C@@H](C)C1)N1CCCCC1=O 79069189 KBWXWNWCMJXFMJ-OWCLPIDISA-N 308.466 3.109 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)CCc2cccc(F)c2)cc1F 95977864 VZOOPBINDQNPIW-QFIPXVFZSA-N 323.364 3.274 0 40 DGAB CCOc1ccc(CNC2CCN(CC(F)F)CC2)cc1F 95967760 QRQKOICDXXTUTO-UHFFFAOYSA-N 316.367 3.044 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)Cn1ccc(=O)c2ccccc21 95955060 IKIGIRLDWZAKIR-HNNXBMFYSA-N 320.392 3.221 0 40 DGAB CN(Cc1cccs1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117448 BCFSZCDKVWDCPM-UHFFFAOYSA-N 324.405 3.376 0 40 DGAB O=C(NCc1ccc(O)c(F)c1)c1ccccc1C(F)(F)F 75143791 JZOOWAFUIFXPQR-UHFFFAOYSA-N 313.250 3.480 0 40 DGAB CCOc1ccc(S(=O)(=O)n2ccnc2C)cc1C(C)(C)C 27588145 PGEPEFYQHPYJRS-UHFFFAOYSA-N 322.430 3.125 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1C 32585576 RJMHNPFZPLNGNG-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB O=C(NC[C@@H](O)Cc1ccccc1)c1cccc(C(F)(F)F)c1 70639247 MAOZXLSSNVIDLS-HNNXBMFYSA-N 323.314 3.039 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72228090 ZZCARHSUPXOKSB-JKSUJKDBSA-N 316.788 3.154 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)CCCC2=O 563597440 HRGABTTXHCGKBH-UHFFFAOYSA-N 312.369 3.382 0 40 DGAB CN(C(=O)C1(c2ccccc2)CCCC1)[C@@H]1CCCC[C@H]1O 224389124 DZMOQORXKGPQPP-IAGOWNOFSA-N 301.430 3.260 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CC 223653310 SREHCDYZFNJMQH-QGZVFWFLSA-N 318.461 3.429 0 40 DGAB Cc1cn(-c2ccccc2)nc1O[C@H](C)C(=O)NC1CCCC1 226851781 GSCLLXXXYQBZHZ-CQSZACIVSA-N 313.401 3.007 0 40 DGAB Cc1occc1C(=O)N1CCC(c2nc(C(C)C)no2)CC1 41121966 NCQNXKSBIDXLKR-UHFFFAOYSA-N 303.362 3.114 0 40 DGAB Cc1ccc(C(=O)N2CC[C@H](C)[C@@H](C(=O)O)C2)c2ccccc12 1594345078 XSFPWABDRINEIR-GUYCJALGSA-N 311.381 3.331 0 40 DGAB CCSC1(CNC(=O)Nc2cccc(F)c2)CCOCC1 96421374 KQSPVMYIAQOJKS-UHFFFAOYSA-N 312.410 3.250 0 40 DGAB CSc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1F 96435405 GVZZZMRIORYDQK-ZDUSSCGKSA-N 323.437 3.250 0 40 DGAB CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3C[C@H]4CC[C@]3(CC[C@@H]12)C[C@]4(O)CO 1077996702 MGZCTUDLVVCKCA-IZVMADOGSA-N 322.489 3.113 0 40 DGAB biogenic CCOC(=O)c1nnsc1-c1conc1-c1ccccc1F 96319539 VLMWQGFYIUYEEK-UHFFFAOYSA-N 319.317 3.176 0 40 DGAB CCc1[nH]nc(NC(=O)C(C)(C)COCc2ccccc2)c1C 252486250 HKDLJRAUTZACCH-UHFFFAOYSA-N 315.417 3.462 0 40 DGAB CC(C)C(=O)Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 96024251 VVKWQXLDBFIVCW-UHFFFAOYSA-N 307.353 3.185 0 40 DGAB C=CC(=O)N1CCC[C@@H](c2ccnc(Nc3cccc(C)n3)c2)C1 585291526 RGBYOVYRPBUPEO-MRXNPFEDSA-N 322.412 3.421 0 40 DGAB C[C@H](NCc1cc2n(n1)CCCC2)c1ccccc1-n1cccn1 585090065 IQGWQPQENHLFKY-HNNXBMFYSA-N 321.428 3.256 0 40 DGAB CS[C@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1 49317056 VKKOSRXNLGUJAV-MRVPVSSYSA-N 311.457 3.379 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1Cc1ccc(F)cc1 55999175 GAPNTJFZEXTDJK-MRXNPFEDSA-N 316.376 3.207 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1F 68726917 BCEKFNKUNQXBND-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB CC1(COC(=O)/C=C/c2ccc(Br)s2)COC1 66522632 LLYLKMJSJLQOFP-HWKANZROSA-N 317.204 3.104 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66771380 HZOGHQCXXBZSQS-HOCLYGCPSA-N 313.397 3.478 0 40 DGAB CCCNC(=O)Nc1ccc(CC(=O)N(C)CCC(C)C)cc1 69416074 PFJYKFSNKOQLJO-UHFFFAOYSA-N 319.449 3.265 0 40 DGAB COc1cccc(C(=O)O[C@H](c2ccccc2)c2ccccn2)n1 83939819 WGIPGSJJBCHWGA-GOSISDBHSA-N 320.348 3.432 0 40 DGAB COC(=O)CCc1c[nH]c2c(F)ccc(Br)c12 1857793106 KQBCHDKCNQOHSI-UHFFFAOYSA-N 300.127 3.175 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1 5471425 FDLJIZTYWHHXCT-UHFFFAOYSA-N 311.790 3.409 0 40 DGAB CCCc1cc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)[nH]n1 12143742 RFMXJYMMBBYMOF-SFHVURJKSA-N 320.396 3.277 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)COc1cccc(C)c1C 13390827 WLDOJBXNVZBZOX-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC12CC(Br)(Br)C(=O)C3[C@@H]1CCC[C@H]32 17190330 BCMYWQPYOXUYLB-NLZKFAMNSA-N 322.040 3.498 0 40 DGAB Nn1c(Cc2ccccc2)nnc1SCc1ccccc1F 226299271 RSZSPEROXAASDN-UHFFFAOYSA-N 314.389 3.014 0 40 DGAB CCCC(CCC)C(=O)Nc1c(C)nc2ccc(C)cn2c1=O 12180771 NUKDUWAQPYUAKP-UHFFFAOYSA-N 315.417 3.466 0 40 DGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1ccc(Cl)c(Cl)c1 12689825 ZHLMNZNQKWTIPX-QWRGUYRKSA-N 310.180 3.445 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCn1cc(-c2ccccc2)cn1 244983819 ISJPUBBUCJXBER-UHFFFAOYSA-N 323.371 3.048 0 40 DGAB Cc1cccn2c(=O)nc(SCc3ccccc3Cl)nc12 4504223 YQGZCQCDOQMIBL-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB O=C(O)C1(S(=O)(=O)c2ccc(Cl)c(Cl)c2)CCCC1 6659071 RZAKQRJUUAOHKQ-UHFFFAOYSA-N 323.197 3.165 0 40 DGAB CCN1C(=O)c2cccc3c(NC(=O)c4cc(C)no4)ccc1c23 12422533 CYMYQDPXKLZYFL-UHFFFAOYSA-N 321.336 3.369 0 40 DGAB C[C@H](O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)s1 225686911 DCQIPCWBBFUNCO-JTQLQIEISA-N 309.818 3.427 0 40 DGAB O=C(O)c1nc2ccccc2c(C(=O)O)c1-c1ccc(O)cc1 89200 XQSXPWNRZVQROF-UHFFFAOYSA-N 309.277 3.004 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1 40107714 XHTWQTMVSRPQIP-ZDUSSCGKSA-N 301.367 3.454 0 40 DGAB Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1 20103662 JBXHVTXKFGUEJZ-UHFFFAOYSA-N 301.289 3.242 0 40 DGAB O=C(CSc1ncccc1C(=O)O)Nc1cccc(Cl)c1 217944 LFNDWEYVOFFYBO-UHFFFAOYSA-N 322.773 3.164 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NCc1ccco1 411378 XJOOVISQGQJJCR-UHFFFAOYSA-N 315.760 3.357 0 40 DGAB Cc1ccc(NC(=O)NCc2cccnc2)c(Br)c1 40526240 LTRJXXPVJCOUQG-UHFFFAOYSA-N 320.190 3.474 0 40 DGAB Cc1nc2ccc(NC(=O)NCCc3ccccn3)cc2s1 40526423 TYGOPBTWCMBQCY-UHFFFAOYSA-N 312.398 3.364 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104669 USTXZXQVLIVEIS-KLLSCFHFSA-N 320.473 3.032 0 40 DGAB biogenic,in-vitro CCCCCOC(=O)O[C@@H](C)C(=O)OCCOCCCC 4411264 IUZFZDRLEJETTP-ZDUSSCGKSA-N 304.383 3.078 0 40 DGAB C/C=C/C=C/C(=O)OCC(=O)Nc1cccc(C(F)(F)F)c1 6642467 LUNYRTULHZEZBM-CRBCFSCISA-N 313.275 3.319 0 40 DGAB CC(C)NC(=O)CCS[C@H]1CCc2ccccc2N=C1O 11865948 KWXDICYQMZQHIY-AWEZNQCLSA-N 306.431 3.237 0 40 DGAB CCN(CC)[C@@H](C)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 46266370 RWOZIPJBJYGKHH-YOEHRIQHSA-N 321.440 3.403 0 40 DGAB COC[C@H](C)NC(=O)c1cn(Cc2ccccc2)c2ccccc12 32901784 DAZLPVWJWKPTNQ-HNNXBMFYSA-N 322.408 3.454 0 40 DGAB Cc1ccoc1C(=O)NCc1c(C)nn(-c2ccccc2)c1C 21933404 ZCZOFNGPBUSPAF-UHFFFAOYSA-N 309.369 3.321 0 40 DGAB O=C(CSCc1ccc(Cl)s1)Nc1ncccc1O 22263799 FYIHDGPYBYURAE-UHFFFAOYSA-N 314.819 3.374 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 53573749 LUIRIZKQVHZMND-OWCLPIDISA-N 310.445 3.471 0 40 DGAB COc1ccc(C(=O)COc2ccc(-c3nnco3)cc2)cc1 22698231 HVJNZVIXRUOZOS-UHFFFAOYSA-N 310.309 3.007 0 40 DGAB CCc1ccc([C@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 816180 GHKIJUYDSCXLEB-CQSZACIVSA-N 309.365 3.494 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccccc1 33882795 QTGJLLUGEPDNFX-VXGBXAGGSA-N 309.387 3.122 0 40 DGAB CC(C)[C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)C(=O)O)CC1 101723567 OELFLUMRDSZNSF-ULQDDVLXSA-N 317.429 3.261 0 40 DGAB world COC(=O)COc1cccc(NC(=O)c2cccc(Cl)c2)c1 24948763 RKTRAZJPRSVDRP-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB COc1ccc(Nc2ncnc3ccsc23)cc1NC(C)=O 24214481 KGYLBJAATQJVDD-UHFFFAOYSA-N 314.370 3.402 0 40 DGAB CC(C)c1csc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)n1 25002102 ADKSBQHHIQRGHX-LLVKDONJSA-N 315.398 3.331 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)c1cc(C2CC2)nc2ccccc12 110680817 OAGYRBYGLGLDJP-NXOUGTEYSA-N 308.381 3.162 0 40 DGAB c1ccc(CN2CCN(c3ncnc4sccc34)CC2)cc1 57366634 FTAPOTCUJVOFNL-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB O=C(COc1ccccc1)Nc1nc2ccc(F)cc2s1 1866410 WYNKRDMYYTVJSP-UHFFFAOYSA-N 302.330 3.453 0 40 DGAB COc1ccc(S(=O)(=O)Nc2nccs2)c2ccccc12 35685620 ZSZKLLBAZRNBJN-UHFFFAOYSA-N 320.395 3.106 0 40 DGAB O=C(CCc1ccsc1)NC[C@@H]1CCN(c2ccccc2)C1 27827413 FZHQCJPSYAVZDY-INIZCTEOSA-N 314.454 3.323 0 40 DGAB Cc1c(C(=O)N[C@H](C)CC[C@H]2CCCO2)oc2c1C(=O)CCC2 58423977 RXKKOEVNNIXUFA-DGCLKSJQSA-N 319.401 3.185 0 40 DGAB CC(C)CCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 28204632 WONXLSOKJAHTOG-UHFFFAOYSA-N 300.358 3.308 0 40 DGAB Cc1ccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 3443350 QXGONHZQSIEMLH-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB Cc1[nH]c2ccc(C(=O)NC[C@H](C(C)C)N(C)C)cc2c1C 12914728 FEUKFDSXMPFZOP-QGZVFWFLSA-N 301.434 3.101 0 40 DGAB O=C1c2ccccc2C(=O)N1CCOc1ccccc1Cl 3606484 RQRFJWZCYBTJAU-UHFFFAOYSA-N 301.729 3.015 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)[C@@H]2CC=CCC2)cc1 48910214 ZNQNTEKHYPJPKX-GDBMZVCRSA-N 314.429 3.187 0 40 DGAB O=C1c2ccccc2[C@H](O)N1COc1ccc(Cl)cc1Cl 4110058 QCHCPGFITXZMSS-AWEZNQCLSA-N 324.163 3.477 0 40 DGAB Cc1cccc(N2C[C@](O)(c3ccccc3)[N+]3=C2CCCC3)c1 13799562 JOPUSAZZHUKGIL-FQEVSTJZSA-N 307.417 3.255 0 40 DGAB C[C@@H](NC(=O)CCNC(=O)Oc1ccccc1)c1ccccc1 408998141 AJXCXEKABLFXBN-CQSZACIVSA-N 312.369 3.043 0 40 DGAB COc1ccc([C@H](C)NC(=O)Nc2c(C)n[nH]c2C)cc1F 65407509 QXOOJJBKGNUEQR-QMMMGPOBSA-N 306.341 3.057 0 40 DGAB CC(=O)NCc1ccc(-c2csc(-c3cccc(O)c3)n2)o1 65519252 CGWDXPPJRFOQED-UHFFFAOYSA-N 314.366 3.412 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCOc3ccccc32)c1C 14186160 RLUQSDZBCQGWIK-AWEZNQCLSA-N 312.369 3.088 0 40 DGAB Fc1ccc(OCc2nn3c(-c4ccco4)nnc3s2)cc1 4511808 UINQFXFPOZXGKE-UHFFFAOYSA-N 316.317 3.164 0 40 DGAB Cc1ccc2nc(SCC(=O)N3CCCCCC3)[nH]c2c1 6536789 IWACPUAKZOPSDZ-UHFFFAOYSA-N 303.431 3.366 0 40 DGAB CN(C(=O)c1ccc(-n2cnnc2)cc1)[C@@H]1CCc2ccccc21 69483869 HNOFNPPSRABUHV-GOSISDBHSA-N 318.380 3.027 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)CC[C@@H]2CCCO2)cc1 69416923 SHZAUMLHSINCEV-PBHICJAKSA-N 305.418 3.044 0 40 DGAB Cc1ccc(-c2nnc(SCc3nccn3C)o2)c(C)c1 66260481 WUKUIRLUMULXPE-UHFFFAOYSA-N 300.387 3.379 0 40 DGAB C[C@@H](O)CN1CCC(CN[C@H](C)c2ccccc2Cl)CC1 69493321 YBUXWZPSBLVCSU-ZIAGYGMSSA-N 310.869 3.083 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@H]1CC=CCC1 6821713 SPESJGFGSMKZTE-ZDUSSCGKSA-N 320.820 3.471 0 40 DGAB CC1CCN(C(=O)c2cc3c(nc4sccn43)s2)CC1 8746372 VXXKLLPYEPLIDA-UHFFFAOYSA-N 305.428 3.483 0 40 DGAB CCc1nc2n(n1)CCC[C@H]2NC(=O)NC1CCCCCCC1 87024546 FOBBQJQKNZKWJW-CQSZACIVSA-N 319.453 3.088 0 40 DGAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1Cl 9751943 UKBYEWVUMVLQHT-JTQLQIEISA-N 319.744 3.230 0 40 DGAB CC1CCC(N(C[C@H]2CCCO2)C(=O)c2cscn2)CC1 96425782 XDYVHWXFBQFDEY-JXQTWKCFSA-N 308.447 3.343 0 40 DGAB O=C(NCc1ccccc1CO)Nc1cccc(C(F)F)c1 71854033 NKXMCWQIAFUOOX-UHFFFAOYSA-N 306.312 3.438 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72232163 XQLDILLJOIBFSW-GFCCVEGCSA-N 303.362 3.114 0 40 DGAB CCc1nc([C@@H]2CCCN2C(=O)[C@@H](C)c2cc(C)oc2C)no1 72299195 AQLLJCXRORWUMQ-FZMZJTMJSA-N 317.389 3.309 0 40 DGAB CC(C)(C)c1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)no1 97113229 FTJCGECTCXHGPF-LBPRGKRZSA-N 317.393 3.454 0 40 DGAB C[C@@H](CNC(=O)c1ccccc1-n1cccn1)Nc1ccccc1 72311615 UDWJAYVWBNGUOT-HNNXBMFYSA-N 320.396 3.103 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)c2cnn3ccc(C)nc23)cc1 75671308 JAPPCPBRFWHLQB-CYBMUJFWSA-N 308.385 3.091 0 40 DGAB COc1cccc(-c2cnc(CSCc3noc(C)n3)o2)c1 76068355 CONBYCLWHOEAHZ-UHFFFAOYSA-N 317.370 3.475 0 40 DGAB CC(C)C[C@@H](CCO)CNC(=O)N[C@@H]1CCc2ccccc21 73561425 CSOGKZMBSVDOSG-RHSMWYFYSA-N 304.434 3.018 0 40 DGAB CC(=O)c1ccc(NC(=O)NCc2ccnc(NC3CC3)c2)cc1 95996730 IWRAVXOQSFLHOS-UHFFFAOYSA-N 324.384 3.180 0 40 DGAB C[C@H]1CCc2[nH]c3c(C(=O)N[C@H](C)CCCO)cccc3c2C1 95966940 MTXRLMUBGNRGJP-QWHCGFSZSA-N 314.429 3.184 0 40 DGAB Cc1nc(C(=O)Nc2ccc(N3CCCC3)c(Cl)c2)c[nH]1 95957676 DKCSCSRIKNFTPZ-UHFFFAOYSA-N 304.781 3.224 0 40 DGAB C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[C@H]1CCOC1 95995057 BJIRPKVCBYFXBX-DCAQKATOSA-N 310.360 3.078 0 40 DGAB Cc1c(F)cccc1NS(=O)(=O)c1cc(F)cc(F)c1 75082624 PITNBGUEBNDWKV-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB COC1CCN(C(=O)N[C@H](C)Cc2cc(C)cc(C)c2)CC1 75111405 PJIDKHYPFNJYOW-OAHLLOKOSA-N 304.434 3.055 0 40 DGAB NC(=O)[C@H](Nc1ccc(OC2CCC2)c(F)c1)c1ccccc1 78996696 QAIIFNFNNVRZBL-QGZVFWFLSA-N 314.360 3.396 0 40 DGAB CO[C@H](CNC(=O)CCc1cscn1)c1cccc(Cl)c1 78934534 QBHHRUHGRZXMKW-CQSZACIVSA-N 324.833 3.233 0 40 DGAB CONC(=O)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 36728680 WLEBQHPPBCUMOG-NSHDSACASA-N 324.730 3.473 0 40 DGAB Cc1ccc(C)c(C(=O)N2CCc3nc(C4CC4)ncc3C2)c1 529933294 VJEBVVHAKZRYQZ-UHFFFAOYSA-N 307.397 3.169 0 40 DGAB Nc1ccc(Cl)cc1N1CCN(Cc2ccccc2)CC1 122517379 QWGQOOGOJRVUSH-UHFFFAOYSA-N 301.821 3.244 0 40 DGAB CC(C)NC[C@H](O)COc1ccccc1[C@@H]1C[C@@H]2CC[C@H]1C2 71325805 NACJSVRGPPMZRS-MUQADHOPSA-N 303.446 3.328 0 40 DGAB in-man Cc1ccc2cc(S(=O)(=O)n3nnc4ccccc43)ccc2c1 36636395 FSEFTDZVJACWHS-UHFFFAOYSA-N 323.377 3.130 0 40 DGAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1 225894985 KSJQSLNYKOUTCW-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB CC1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2F)CC1 42645911 SVJUTNRQERLTGI-UHFFFAOYSA-N 312.772 3.113 0 40 DGAB O=C(Nc1cccc(OC(F)F)c1)[C@@H]1COc2ccccc2C1 48344613 NGFGGKMEACPNRT-LBPRGKRZSA-N 319.307 3.478 0 40 DGAB Nc1ncccc1-c1nc(-c2ccccc2Br)no1 89263309 YXHZYWLRCGTLRW-UHFFFAOYSA-N 317.146 3.143 0 40 DGAB CC(C)C(NC(=S)Nc1ccc2c(c1)OCCO2)C(C)C 225327191 VZKRDFFFODKYIP-UHFFFAOYSA-N 308.447 3.425 0 40 DGAB CC[C@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)OC 192838456 DKJUDAXPTJGAHS-ZDUSSCGKSA-N 316.357 3.204 0 40 DGAB CC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225604865 LNGCFHJKXXNCNU-OAHLLOKOSA-N 315.797 3.119 0 40 DGAB CCCOC(C)(C)C(=O)Nc1ccc(OCCCN(C)C)cc1 225727331 MCRIAUHQPNVIBQ-UHFFFAOYSA-N 322.449 3.161 0 40 DGAB COC(=O)[C@H](C)CN(C)Cc1csc(-c2ccsc2)n1 48335951 ROBFBHOBZLNKSS-SNVBAGLBSA-N 310.444 3.113 0 40 DGAB C/C(=C/c1ccccc1)CNCC(=O)N1Cc2ccccc2C1 330031790 DIHGDICXANCUIZ-WJDWOHSUSA-N 306.409 3.222 0 40 DGAB O=C(O)c1ccc(OC(F)(F)[C@@H](F)OC(F)(F)F)cc1 98210724 ZAHWGTRXNJVLNR-QMMMGPOBSA-N 304.142 3.188 0 40 DGAB OC[C@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccccc1 97238568 KGRAWNQZDPZUDO-INIZCTEOSA-N 312.344 3.304 0 40 DGAB CCSCC[C@@H](C)NC(=O)C1(c2ccccc2)CCOCC1 96433086 ROIOEFITNQPLTB-OAHLLOKOSA-N 321.486 3.383 0 40 DGAB CN(Cc1ccccc1)c1ccc2ccc(C(=O)NC3CC3)cn12 96146139 HLTMDVQEJNDYMZ-UHFFFAOYSA-N 319.408 3.468 0 40 DGAB Cc1cc(-c2nc(N3CCCC3)sc2CC(=O)O)ccc1F 95097141 LXCHRLAMFYRVLA-UHFFFAOYSA-N 320.389 3.485 0 40 DGAB CCOc1ccc(CSc2nnc(-c3ccco3)n2C)nc1 96459656 IJCGEZHGTKZOCY-UHFFFAOYSA-N 316.386 3.161 0 40 DGAB c1cncc(C[C@@H]2[C@H](OCC3CC3)CCN2Cc2ccncc2)c1 96069939 ZXUZRXSSSPLVJE-WOJBJXKFSA-N 323.440 3.089 0 40 DGAB CCOC[C@@H]1CN(Cc2ccoc2)Cc2cn(CC3CC3)nc21 96059956 CVBAPSGIFMHAKM-KRWDZBQOSA-N 315.417 3.022 0 40 DGAB C[C@@H](Nc1cccc(Oc2ccccn2)c1)C(=O)N1CCCC1 96437332 MWQMZZYDWLOLTR-CQSZACIVSA-N 311.385 3.297 0 40 DGAB c1cncc(CN2CC3(C[C@@H](OCC4CCCC4)CCO3)C2)c1 247920902 CHISWFWFYTZGIH-SFHVURJKSA-N 316.445 3.022 0 40 DGAB Cc1cnccc1CN1Cc2nccn2C[C@H]1c1ccccc1 257235768 GZIMQTQWKRJLSP-SFHVURJKSA-N 304.397 3.344 0 40 DGAB CC[C@@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1ccccc1 585121516 RJBXEJOFFDJQLE-SJORKVTESA-N 308.381 3.129 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)CCCCC[C@H](C)O)cc1 585121433 PEFOQDTUVMTHCR-INIZCTEOSA-N 321.461 3.464 0 40 DGAB Cc1nc([C@H]2CCCCN2C(=O)c2ccccc2)cc2cncn12 257228289 FTHVJJNQLYLXQT-GOSISDBHSA-N 320.396 3.405 0 40 DGAB Cc1ccc(N[C@@H]2CCNC(=O)CC2)c(OCC(F)(F)F)c1 585141649 YOXSQXDSQPDXEX-NSHDSACASA-N 316.323 3.017 0 40 DGAB O=C(/C=C/c1ccccn1)NCc1ccc(Br)cc1 69744973 XSFMKRFFGLYOGR-CMDGGOBGSA-N 317.186 3.174 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)nn2C(C)C)cc1OC 11695167 IDXVOVSZNAVCCK-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(C1CCCCC1)N1CCC(c2n[nH]c3ncccc23)CC1 12670281 LZNHBZGSWFZURF-UHFFFAOYSA-N 312.417 3.244 0 40 DGAB COc1ccccc1CNCc1cc2ccc(C)c(C)c2[nH]c1=O 13999131 QQMMCDYTSJANKG-UHFFFAOYSA-N 322.408 3.443 0 40 DGAB Cc1cccc(OC[C@@H](O)Cn2ccnc2-c2ccccc2)c1 17135482 CCEFOULEWDQVMK-KRWDZBQOSA-N 308.381 3.298 0 40 DGAB CC(C)c1cnc(CNc2nnc(-c3ccncc3)o2)s1 154757940 UVVQDTYBIMXEFI-UHFFFAOYSA-N 301.375 3.324 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2occc2C)c1C 9050836 WGWDLNGHVXRFFV-LBPRGKRZSA-N 317.341 3.164 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)C(=O)c1c[nH]c2ccccc12 4163180 ZEPCPGDPSSKYRS-CQSZACIVSA-N 320.392 3.488 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2cccc(F)c2)o1 4329723 GEJKHXNUOINHNX-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1cc(Cl)ccc1-n1ncc2c(N3CCCC3)ncnc21 9787367 IMQXXJNVTMVFIH-UHFFFAOYSA-N 313.792 3.378 0 40 DGAB Cc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(F)C3)cc1Cl 1775968045 LGYLOCVIFMUQEH-RYUDHWBXSA-N 317.813 3.302 0 40 DGAB Cc1oncc1CN1CC(n2c(C3CC3)nc3ccccc32)C1 1775974791 QGUNYQZNZTYWGM-UHFFFAOYSA-N 308.385 3.267 0 40 DGAB Clc1ccc2oc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)nc2c1 1889133950 JKRJSDUWPVWXQX-TXEJJXNPSA-N 317.820 3.402 0 40 DGAB c1csc(OC2CCN(Cc3nc4c(s3)CCC4)CC2)n1 2086875433 GZWCYLPRFSLFFG-UHFFFAOYSA-N 321.471 3.132 0 40 DGAB COc1ccccc1[C@@H](C)N(C)S(=O)(=O)c1cccc(F)c1 30524486 HLYSSIKCALDFTE-GFCCVEGCSA-N 323.389 3.216 0 40 DGAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1 415842 GVVWPBIKNZGIPY-SNVBAGLBSA-N 323.443 3.149 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@@H](O)c1ccccc1F 40513507 YWFXNKURUWKQRZ-OAHLLOKOSA-N 318.348 3.080 0 40 DGAB Cc1cc2c(=O)cc(-c3ccc(O)cc3)oc2c(C(=O)O)c1C 1620489 WGSGXJHQSGQOFW-UHFFFAOYSA-N 310.305 3.481 0 40 DGAB CCSc1nnc(NC(=O)COc2cccc(C)c2C)s1 3592235 KVHMJFDGVYZGRW-UHFFFAOYSA-N 323.443 3.284 0 40 DGAB C[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1 240063 BCNYNLZUUAPJGS-QMMMGPOBSA-N 305.355 3.416 0 40 DGAB O=C(CCCCC(=O)N1CCCCCC1)N1CCCCCC1 4742798 BPCSJBSQFHKGSY-UHFFFAOYSA-N 308.466 3.352 0 40 DGAB CCN(C(=O)C1CC1)[C@@H](c1ccc(OC)cc1)c1cccnc1 71903071 MICAZGOOGZNVDC-SFHVURJKSA-N 310.397 3.438 0 40 DGAB O=C(OCc1nnsc1Cl)c1ccc2ncsc2c1 21226264 UUTSJTZECWZBFI-UHFFFAOYSA-N 311.775 3.158 0 40 DGAB CNC(=O)c1cc(NC(=O)C[C@@H](C)n2cccc2)ccc1Cl 69622880 SNEKGGGEJITLGK-LLVKDONJSA-N 319.792 3.091 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)c1cc2ccccc2[nH]1 32966857 YCSSVXBJJWFVTJ-CQSZACIVSA-N 322.364 3.080 0 40 DGAB COC(=O)c1cccc(OCc2nc(-c3ccccc3C)no2)c1 32957859 PYMCWKBILBVZSJ-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)NCc2ccccc2)n1 33145153 FIBSMMQHEMPOEX-UHFFFAOYSA-N 301.390 3.006 0 40 DGAB CCCC(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 545736 UXGKUVHVCCSICB-UHFFFAOYSA-N 305.428 3.423 0 40 DGAB Cc1cccc(CNc2ccc3nnc(-c4ccccc4)n3n2)n1 53574619 ALGCWLLRZFFOAA-UHFFFAOYSA-N 316.368 3.107 0 40 DGAB COc1ccc(CNCc2cccc(OC)c2OC)cc1OC 22772061 UBEWXNWSJKFMQV-UHFFFAOYSA-N 317.385 3.011 0 40 DGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC4=NCCS4)cc3c2C1 23027915 ORZLEICNPUICQM-SNVBAGLBSA-N 313.426 3.125 0 40 DGAB O=C(CCc1ccc2c(c1)CCO2)Nc1ccc(F)cc1F 68741193 FFDWSYZYYQVZPT-UHFFFAOYSA-N 303.308 3.471 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102597200 MRDDKGSOAPBVGT-CYDGBPFRSA-N 311.376 3.070 0 40 DGAB COC(=O)CSc1nnc(Nc2c(C)cccc2C)s1 3323081 ZIGQIQFJPFUDPM-UHFFFAOYSA-N 309.416 3.164 0 40 DGAB Cc1c(C)n(Cc2ccccn2)c2ncn(CC(C)C)c(=N)c12 101480235 WMNPSHQFVBTTFR-UHFFFAOYSA-N 309.417 3.033 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2c(F)cccc2F)no1 24764117 OVIMZIOZSSAFRT-AWEZNQCLSA-N 321.327 3.037 0 40 DGAB O=C(CCCc1nc2ccccc2s1)Nc1ncccc1O 12527018 ZLCZYFWFXMDVGT-UHFFFAOYSA-N 313.382 3.358 0 40 DGAB Cc1ccc([C@@H](NC(=O)c2cnccn2)c2cccs2)cc1 8936782 RKKKEWBCWPLXHL-MRXNPFEDSA-N 309.394 3.366 0 40 DGAB CC1(C)CC(NC(=O)NCc2ccc(Cl)cc2)CC(C)(C)N1 26180247 HULIZLSKWIYZSP-UHFFFAOYSA-N 323.868 3.448 0 40 DGAB O=C(c1ccc2[nH]c(=S)oc2c1)N1CCC2(CCOCC2)C1 81485248 VSFHFRCENNHIDJ-UHFFFAOYSA-N 318.398 3.133 0 40 DGAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)o1 8157102 BNKZQOOTAVJXOR-DYVFJYSZSA-N 312.369 3.334 0 40 DGAB CCCn1ccc(C(=O)Nc2nc3ccc(C)cc3s2)n1 28244240 NKJHGMKBBKXPEL-UHFFFAOYSA-N 300.387 3.464 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccc(C)cc3)n[nH]2)cn1 12627513 MLCGYOYPYHXMFD-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1 10029587 VLEJRTRCSGUZOQ-CYBMUJFWSA-N 311.337 3.073 0 40 DGAB Cc1ccc(C)c(NC(=O)COc2cccc3c2CCC3=O)c1 10197735 WYAWTQQAKWRAAL-UHFFFAOYSA-N 309.365 3.450 0 40 DGAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)/C=C/c1ccc(C)o1 58200888 YQDVHLFQVYWSFL-AATRIKPKSA-N 320.295 3.477 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)Nc1cn[nH]c1 58248076 HOOICVCSGNVTMH-UHFFFAOYSA-N 312.345 3.388 0 40 DGAB CS(=O)(=O)c1ccc(-c2csc(-c3ccccn3)n2)cc1 12622549 UCYMVNCHMKMUHN-UHFFFAOYSA-N 316.407 3.276 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)n(C)n1 58390475 FFCYMIRNAIGCTI-QLFDAEIZSA-N 316.449 3.455 0 40 DGAB NC(=O)[C@H](OC(=O)c1occc1-c1ccccc1)c1ccccc1 10422646 CIMCCPBYTKLTIE-MRXNPFEDSA-N 321.332 3.330 0 40 DGAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C)ccc1C 3329319 XYDXUFUNKMAJBE-IBGZPJMESA-N 322.408 3.215 0 40 DGAB CCN(C(=O)c1cn2cccnc2n1)[C@@H](C)c1ccc(F)cc1 58567364 VGCXGXFACXVLTM-LBPRGKRZSA-N 312.348 3.092 0 40 DGAB Cc1nnsc1C(=O)N(Cc1ccc2cc[nH]c2c1)C1CC1 36366729 NQTRIUHXSOHMKC-UHFFFAOYSA-N 312.398 3.133 0 40 DGAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)on1 10960004 ZRKLMWYXQWJACP-AWEZNQCLSA-N 312.373 3.377 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CN2C[C@H](C)O[C@@H](C)C2)cc1 12788306 KGLLWYOOSJOIBA-KKUMJFAQSA-N 304.434 3.248 0 40 DGAB Cc1cccc(CN2CCn3c(-c4ccsc4)cnc3C2)n1 306126567 DZBQSUVOTHBMJG-UHFFFAOYSA-N 310.426 3.331 0 40 DGAB Cc1c(-c2cc(C(F)(F)F)n3ncc(Cl)c3n2)cnn1C 20616576 FFHXDSYQQGUIIW-UHFFFAOYSA-N 315.686 3.110 0 40 DGAB O=C(COc1ccc(C(=O)c2ccccc2)cc1)NC1CCCC1 3474753 ZGLGSMHPQKFQNR-UHFFFAOYSA-N 323.392 3.355 0 40 DGAB Cc1ccc(C(=O)c2ccccc2C(=O)Nc2ccn(C)n2)cc1 13021519 VWBLFCYZPPEZID-UHFFFAOYSA-N 319.364 3.212 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)cc1C 13320348 MJSKIYANFCWTMW-IMJJTQAJSA-N 301.386 3.148 0 40 DGAB COc1ccccc1NCc1nc2sc(C)c(C)c2c(=O)[nH]1 13362348 ARXWPMBGJXMHFW-UHFFFAOYSA-N 315.398 3.222 0 40 DGAB CCCN1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 13326603 BYLNDKMNGZEPDC-UHFFFAOYSA-N 301.217 3.161 0 40 DGAB O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(O)cc1 63927586 MOMTUFVRBZHKSO-UHFFFAOYSA-N 315.350 3.021 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccc2)cc1 8428626 ODDCNDZUJGZINZ-CYBMUJFWSA-N 305.399 3.077 0 40 DGAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@H]1CCCO1 69533173 OLQQBLWUQZGRGG-CRAIPNDOSA-N 310.397 3.350 0 40 DGAB O=C(COCC1CC1)Nc1[nH]ncc1-c1cccc(Cl)c1 69537398 AINBSERLMGBONC-UHFFFAOYSA-N 305.765 3.095 0 40 DGAB CC(C)NC(=O)COC(=O)c1ccccc1Oc1ccccc1 6351019 LIVNCTKXZFUZPF-UHFFFAOYSA-N 313.353 3.160 0 40 DGAB Cn1cc(C(=O)OCc2ccc3c(c2)OCO3)c2ccccc21 65577678 VGPWSBSMFXXERD-UHFFFAOYSA-N 309.321 3.264 0 40 DGAB Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N[C@@H](C)C(C)C 65593449 FQVJKNVSUAVCPV-AWEZNQCLSA-N 317.433 3.397 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2sccc2C)c1 14163828 OXPPGQRGSPDKKF-BQYQJAHWSA-N 314.410 3.458 0 40 DGAB Cc1ccc(OC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1C 6598216 JUASLNMAOYVEKE-UHFFFAOYSA-N 322.364 3.392 0 40 DGAB COc1ccccc1NC(=O)CN1CC[C@H]2CCCC[C@@H]2C1 6588008 WBORWTJDPUEWCA-HUUCEWRRSA-N 302.418 3.146 0 40 DGAB Cc1cccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c1C 4694349 LOTFARCZLMOALV-UHFFFAOYSA-N 318.461 3.108 0 40 DGAB C[C@@H](C(=O)NCCC(=O)O)c1ccc(-c2ccccc2)c(F)c1 6764235 CPBPASUSXLMRIY-GFCCVEGCSA-N 315.344 3.187 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2C)c1C 14785714 RWRXUSUJKCKBJO-UHFFFAOYSA-N 304.321 3.118 0 40 DGAB Cc1cc(SCC(=O)NC(C)C)nc(-c2ccc(F)cc2)n1 67257218 RYTSLCPEHVULRH-UHFFFAOYSA-N 319.405 3.208 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CSCc1ccc2c(c1)OCO2 7149651 VIXCORGCIXLJID-GXTWGEPZSA-N 321.442 3.343 0 40 DGAB COC(=O)c1c(C)cccc1NC(=O)c1ccc(F)cc1F 9689908 IFWVMYKTYKAHGZ-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB C/C=C/c1ccc(O[C@H](C)C(=O)NCC(F)(F)F)c(OC)c1 9313769 UHLUTPCMNCDIPE-ORAHPGNNSA-N 317.307 3.174 0 40 DGAB O=C(NCc1ccccn1)c1cc(C2CC2)nn1-c1ccccc1 9379188 RKHGCRVNNJVHIC-UHFFFAOYSA-N 318.380 3.075 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCNCc1ccncc1 71792594 GGUZHDUMELYXDG-UHFFFAOYSA-N 303.793 3.162 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)C[C@@H]2CCc3ccccc32)no1 76043680 VHJRMFLNSWOVNB-HOCLYGCPSA-N 311.385 3.162 0 40 DGAB COc1ccc([S@@](=O)[C@@H](C)c2nc(C(C)(C)C)no2)cc1 97001665 WBAWLCZJJVFRJP-CHNSCGDPSA-N 308.403 3.245 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCCC1CC1 97080535 BLEIZIUBLIEJGP-OAHLLOKOSA-N 304.438 3.453 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CC[C@H]1CCOC1 97145694 VYBZCMLQCCTPIN-GOEBONIOSA-N 317.429 3.048 0 40 DGAB Cc1cnc([C@@H](NCC(=O)Nc2ccccc2F)C2CC2)s1 97110857 BNZSMGPSUVDEQH-HNNXBMFYSA-N 319.405 3.270 0 40 DGAB O=C(CCc1cccc(Cl)c1)N1CCC[C@@H](c2ccn[nH]2)C1 84367687 QNHVRLCZRPRNDT-CQSZACIVSA-N 317.820 3.402 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccccc1Cl 78898167 JIYOVAYKOHNFAO-LRDDRELGSA-N 306.837 3.077 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 84637106 GDFRPGJCGWULAS-KDOFPFPSSA-N 320.392 3.477 0 40 DGAB COC[C@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 79547527 ZPZQQUDVQTVYMR-SECBINFHSA-N 305.271 3.096 0 40 DGAB C[C@H](C(=O)N(Cc1ccccc1)c1ccccn1)n1cccn1 74126177 HGFIVPUABNQZEV-OAHLLOKOSA-N 306.369 3.073 0 40 DGAB COCCCN(C)C(=O)/C=C/c1cc(Br)cs1 79771511 XBLPSTRLGRGHHK-SNAWJCMRSA-N 318.236 3.019 0 40 DGAB Cc1ccc(C(=O)NCCNc2ccc3ccccc3n2)s1 95960414 WJILYSRCHIHKLD-UHFFFAOYSA-N 311.410 3.447 0 40 DGAB CC1(C)C[C@@H]1C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 95973260 PUTQYNCLSDVATP-GOEBONIOSA-N 315.413 3.128 0 40 DGAB CCC[C@H]1CCc2ccccc2N1Cc1nc(COC)no1 95992549 PKUMYSZTPJUNDB-AWEZNQCLSA-N 301.390 3.338 0 40 DGAB N[C@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 95939018 XVKWYMXOUUXLHN-ZDUSSCGKSA-N 323.165 3.227 0 40 DGAB in-vitro Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2cnn(C)c2)c(C)s1 89582367 PSSFGIFBBDQHAT-WDEREUQCSA-N 306.435 3.220 0 40 DGAB CCc1cccc(N2CCC(NC(=O)c3ccncc3)CC2)c1 60240234 CQXMGQZGZUHDNZ-UHFFFAOYSA-N 309.413 3.043 0 40 DGAB CCN(CC)CCCN1C(=O)c2cccc3cccc(c23)C1=O 31847875 XATOAGXTUPPXKZ-UHFFFAOYSA-N 310.397 3.168 0 40 DGAB C[C@H](CNC(=O)CCc1ccsc1)N1CCc2ccccc21 33056236 NETIPVLRSWZOFE-CQSZACIVSA-N 314.454 3.248 0 40 DGAB COc1cc(OC)c(NCc2ccncc2)cc1Br 121789846 UORDXAOQNUCQDX-UHFFFAOYSA-N 323.190 3.473 0 40 DGAB O=C(CN1CCc2ccccc2C1)NC12CC3CC(CC(C3)C1)C2 35546369 ACFDFJAPYWYGQD-UHFFFAOYSA-N 324.468 3.130 0 40 DGAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)[C@@H]1C 529527727 QOGWAMGLYUFAGF-QZCUMHFISA-N 314.429 3.195 0 40 DGAB O=C(NCc1ccc(F)cc1F)c1cn[nH]c1-c1cccs1 72329452 MXOVDLANRBDUDC-UHFFFAOYSA-N 319.336 3.346 0 40 DGAB CCn1nc(C)c2nc(C(C)C)nc(Nc3cnn(C)c3C)c21 226688394 OZDDIPVNWNTKGJ-UHFFFAOYSA-N 313.409 3.064 0 40 DGAB CC1(C)CN(C(=O)Nc2ccc3c(c2)COC3)CC(C)(C)O1 190184676 JZRJKSKBDBJZMB-UHFFFAOYSA-N 304.390 3.138 0 40 DGAB COc1ccc(C(=O)CCC(=O)Nc2ccccc2)cc1OC 49926472 MUSWADXQDNXSPM-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB COc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)O)c(OC)c1 225111793 BFYFYBHDGAJVHV-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CCc1ccc(C[C@H](Oc2ccccc2OC)C(=O)O)cc1 225043353 NUFCYQOOSDVZGZ-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB COc1ccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)cc1 225101533 QIJKCGPNCDSXBD-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Fc1cccc(F)c1NC(=S)NCc1ccc2c(c1)OCO2 225376969 IMQUWNMQIJHUDO-UHFFFAOYSA-N 322.336 3.180 0 40 DGAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1F 199415820 SMAXFIWTMXTHPB-SFHVURJKSA-N 313.372 3.316 0 40 DGAB COc1cccc(C[C@@H](Oc2cccc(Cl)c2)C(=O)O)c1 225099042 QULMHDPTBFAXKX-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cc1ccc(C(=O)N2CCC(O)(c3ccccc3Cl)CC2)o1 192404727 ILMQZWJUDBFUKT-UHFFFAOYSA-N 319.788 3.365 0 40 DGAB COCc1c(Cl)cccc1NC(=O)N[C@H](CO)C(C)(C)C 195557341 XTKSOTDVRZUIKZ-CYBMUJFWSA-N 314.813 3.015 0 40 DGAB CC(C)[C@H](NC(=O)CC[S@@](C)=O)c1ccc(Cl)cc1F 195557820 ODWVQSPKUVEVBB-VBKZILBWSA-N 319.829 3.061 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 97374646 ZSEOKAWGUFAAIW-HTQZYQBOSA-N 319.348 3.214 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)c2ccc(F)cc2C)c1 96694528 WIZRJCKGLBDQAI-UHFFFAOYSA-N 321.417 3.354 0 40 DGAB Cc1ccc(-c2csc3nc(CCC(=O)O)nn23)cc1C 95095792 PZFQHVASFSDPLA-UHFFFAOYSA-N 301.371 3.092 0 40 DGAB C[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ncc(C(C)(C)C)o1 96447863 ORRHYPWPXHBTGG-LLVKDONJSA-N 313.401 3.431 0 40 DGAB CN(C)c1ccc(NC(=O)N2CCO[C@H]3CCC[C@H]32)cc1Cl 96415948 ROJZGIOOGJLCDH-CABCVRRESA-N 323.824 3.191 0 40 DGAB COc1ccc(Br)c(CNC(=O)OC(C)(C)C)c1 95934362 YJMICQKLIMSXDO-UHFFFAOYSA-N 316.195 3.482 0 40 DGAB COc1ccccc1N1CCN(c2ccncc2Cl)CC1 267203298 AMGXSEDJRBGBAN-UHFFFAOYSA-N 303.793 3.070 0 40 DGAB Cc1cc(C)c(C=O)c(OCn2cc(Br)cn2)c1 96526232 BOZZBYNTBRVBKU-UHFFFAOYSA-N 309.163 3.111 0 40 DGAB CC[C@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 242697930 CYGMEZHENUBHHB-ZETCQYMHSA-N 322.714 3.212 0 40 DGAB O=C(O)CCc1cccc([C@@H]2CCCN2Cc2ccccc2)n1 257283203 OXEFYHBJUIUGGK-SFHVURJKSA-N 310.397 3.436 0 40 DGAB COC(OC)[C@@H](C)Sc1nnc2sc3ccccc3n12 585119254 ZJMVWLBHKMGMKS-MRVPVSSYSA-N 309.416 3.044 0 40 DGAB CCn1nccc1-c1cc(C)nc([C@@H]2CCCN(C(C)C)C2)n1 257278502 OCMNUCYQEIVRFK-OAHLLOKOSA-N 313.449 3.256 0 40 DGAB C[C@]12CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@H]1CCC2=O 257346199 UXZGHAVOAACUIL-DQJSYKEWSA-N 306.446 3.074 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@H](Cc3cccnc3)C2)c1 257238425 HKYNFZUTVNOSHE-GOSISDBHSA-N 324.424 3.114 0 40 DGAB CN1C(=O)N(c2ccc(F)cc2)[C@@H]2[C@H](c3cccnc3)CC[C@@H]21 257278431 OCFYTNBYXXXBNC-YESZJQIVSA-N 311.360 3.407 0 40 DGAB Cc1cc2cc(NC(=O)[C@@H](C)Sc3nncs3)ccc2[nH]1 42770434 XEHHVSONEKREPA-SECBINFHSA-N 318.427 3.447 0 40 DGAB CC(C)CN(CC(C)C)C(=O)C(=O)Nc1ccc(Cl)cc1 52817183 IOXKUOQSKTWFLW-UHFFFAOYSA-N 310.825 3.419 0 40 DGAB COc1ccc2[nH]cc(C3=CCN(Cc4nc(C)no4)CC3)c2c1 53073741 AERIVIVLBKKSPH-UHFFFAOYSA-N 324.384 3.157 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)no1 67888460 UJIVLIMGWPNZMC-NSHDSACASA-N 305.403 3.022 0 40 DGAB CCN(CC)C(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 3136192 JRERKTUXUJYFES-SDXDJHTJSA-N 322.408 3.326 0 40 DGAB O=C(NC(=S)N1CCCCC1)C12CC3CC(CC(C3)C1)C2 5184977 NFAMOUTYHSSMOE-UHFFFAOYSA-N 306.475 3.090 0 40 DGAB CC[C@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 12117447 IDZBCIDELHWWTH-KRWDZBQOSA-N 324.424 3.085 0 40 DGAB ON1C(c2c(F)c(F)c(F)c(F)c2F)N(O)[C@@H]2CCCC[C@@H]21 13122962 HTCXOWDCVVSXNB-JQHFCGMOSA-N 324.249 3.088 0 40 DGAB CN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccs1 28795843 PBBJIFXKGQWCTO-OAHLLOKOSA-N 310.382 3.335 0 40 DGAB Cc1ccc(-n2c(-c3ccccc3)cnc2SCC(N)=O)cc1 6977470 QSBHMXZUYVGIAG-UHFFFAOYSA-N 323.421 3.425 0 40 DGAB CC1(C)CC(=O)c2cnc(Nc3nc4ccccc4[nH]3)nc2C1 87759 DPFVXJZFTTUQCK-UHFFFAOYSA-N 307.357 3.252 0 40 DGAB O=C(OCc1ccccc1)[C@@H]1CCCN1C(=O)c1cccs1 74207 BBHSFCJBRGSXFO-AWEZNQCLSA-N 315.394 3.096 0 40 DGAB O=C(CCc1ccco1)NCCc1c[nH]c2cc(F)ccc12 50766763 GHOCLCMIYBEVKV-UHFFFAOYSA-N 300.333 3.192 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 44324 WWEKRFVDPUXATR-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB COc1ccccc1C(=O)Oc1ccc2c(C)cc(=O)oc2c1 77982 FOVVFMHJAGJENL-UHFFFAOYSA-N 310.305 3.329 0 40 DGAB biogenic CCOC(=O)c1sc(=S)n(-c2ccccc2OC)c1N 88397 DIMYACCFVLIZQP-UHFFFAOYSA-N 310.400 3.036 0 40 DGAB O=C(O)[C@H]1[C@H]2C[C@@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 100941185 BZYPJYMCKWWCSL-XOKHGSTOSA-N 323.348 3.024 0 40 DGAB CC(C)CNC(=O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)cc1 1379852 VQOLJORRAWCALS-CQSZACIVSA-N 323.824 3.109 0 40 DGAB O=C1[C@H]2CCCC3CCC[C@H](C(=O)N1NC1CCCCC1)C32 1735475 LTNYXXYPHUXJQP-ZTTSNEECSA-N 304.434 3.025 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 299219 QCUWHOQHXKCMDM-UHFFFAOYSA-N 307.353 3.308 0 40 DGAB O=C(c1ccc2[nH]ccc2c1)N1CCN(Cc2ccccc2)CC1 20622251 FNQKXOYJSHQLHE-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1c(C)noc1C 3564145 FDNDTWUACBYTEX-UHFFFAOYSA-N 322.748 3.049 0 40 DGAB COc1ccc(C(=O)NCCCc2ccc(N(C)C)cc2)cc1 11693629 TWVJVUWFSVCVGA-UHFFFAOYSA-N 312.413 3.124 0 40 DGAB O=C(O)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7886060 RRSKKGUEORWHEA-INIZCTEOSA-N 308.337 3.114 0 40 DGAB COc1ccc(-c2cc3cccc(OC)c3oc2=O)cc1OC 11869946 PLZMPTVQPGFVSD-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic Cc1cn2nc(NC[C@@H]3CCN(c4ccccc4)C3)sc2n1 29624703 UNFAEDVNCAVFSN-ZDUSSCGKSA-N 313.430 3.038 0 40 DGAB FC(F)(F)Cn1nnnc1SCc1ccc(Cl)s1 60350151 UQUSQFSYUIEBAT-UHFFFAOYSA-N 314.745 3.243 0 40 DGAB CCC[C@H]1CCCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 69484173 JNSFXLVEOFSMAT-LBPRGKRZSA-N 321.396 3.359 0 40 DGAB CC(C)Cn1cc(C(=O)NC[C@H]2CCCN2C)c2ccccc21 58427391 TZYREWPWQFIJTK-OAHLLOKOSA-N 313.445 3.121 0 40 DGAB C[C@@H]1C[C@@H](Sc2nc(NC3CC3)c3ccccc3n2)C(=O)O1 9739976 WRTFTNWUKZUECV-NOZJJQNGSA-N 315.398 3.000 0 40 DGAB Cc1ccc(C(=O)NCCNc2nc3ccccc3o2)cc1F 42097791 ZPPIKKSUKKJOOZ-UHFFFAOYSA-N 313.332 3.117 0 40 DGAB CCN(CC)C(=O)C1CCN(Cc2ccccc2Cl)CC1 785858 ZOVRSJIQUUSNLG-UHFFFAOYSA-N 308.853 3.420 0 40 DGAB C[C@@H]1CCc2cc(F)ccc2N1C(=S)NC[C@@H]1CCCO1 2770936 HYDBKJDKAGNQGB-RISCZKNCSA-N 308.422 3.020 0 40 DGAB Cc1noc(COC(=O)c2cc3cc(Cl)ccc3nc2C)n1 23383003 KVKBWDSXUWKSOS-UHFFFAOYSA-N 317.732 3.245 0 40 DGAB O=C(C=C(C1CC1)C1CC1)Nc1nnc(-c2ccccn2)s1 55446694 RGFROHJMNPCMIB-UHFFFAOYSA-N 312.398 3.285 0 40 DGAB Cc1ccccc1C[C@H](C)NC(=O)Cc1noc2ccccc12 55556018 BVPMTTBNYLREGQ-AWEZNQCLSA-N 308.381 3.426 0 40 DGAB CCCc1noc([C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 44583862 IMJGNVWFVVSKTC-CYBMUJFWSA-N 318.396 3.044 0 40 DGAB Cc1ccccc1OC(=O)[C@H]1CC(=O)N(c2ccccc2F)C1 44717705 TVUGYDSFTONTOM-ZDUSSCGKSA-N 313.328 3.093 0 40 DGAB O=S(=O)(c1cccc(F)c1)N1CCCCc2ccccc21 47992005 HXDSJNHBIJCLRG-UHFFFAOYSA-N 305.374 3.357 0 40 DGAB O=C1N[C@H](c2cccc(OC3CSC3)c2)Nc2ccccc21 20244048 YHUMXTDQECWXOR-MRXNPFEDSA-N 312.394 3.035 0 40 DGAB C/C(=C/C(=O)O)C(=O)Nc1nc(-c2ccc(C)cc2)c(C)s1 10272009 WBHOOXGFEUZCOH-NTMALXAHSA-N 316.382 3.396 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)o1 44949445 OMJQDAMLKOCLMK-OLZOCXBDSA-N 321.446 3.313 0 40 DGAB CC[C@@H](NC(=O)CCOC(C)C)c1nc(-c2ccccc2)c[nH]1 58304711 NFWLFWLSBUPBCD-OAHLLOKOSA-N 315.417 3.459 0 40 DGAB NC(=O)c1cnc(NC(=O)/C=C/c2cccc3ccccc23)s1 10847553 ABAQDMNDLRPSIG-CMDGGOBGSA-N 323.377 3.047 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1 3329165 VYBPCGUYJWXBDL-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CCOc1ccc(OCCOC(=O)c2ccc(O)cc2)cc1 3316188 IYRYAUZJCREQBJ-UHFFFAOYSA-N 302.326 3.027 0 40 DGAB C[C@H](Sc1nnc2ccccn12)C(=O)c1ccc(F)c(F)c1 3348190 ITBHMNOGTSLNEO-VIFPVBQESA-N 319.336 3.371 0 40 DGAB Cc1cc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)on1 69588981 QLEABKDWQHSFQH-UHFFFAOYSA-N 324.384 3.413 0 40 DGAB COc1ccccc1S(=O)(=O)N(C)[C@@H](C)c1ccccc1 48440413 OBJHLQMWMFVRFL-ZDUSSCGKSA-N 305.399 3.077 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 69870782 OXNRGLFULYVZMK-IEBWSBKVSA-N 323.440 3.475 0 40 DGAB O=C(CSc1ccccn1)Nc1ccnn1C1CCCC1 8705061 WSRWNGXZBPSMIR-UHFFFAOYSA-N 302.403 3.124 0 40 DGAB COc1ccc(-n2ccnc2SCc2cc(C)on2)cc1 8707679 SPQUWKIKNHGSAI-UHFFFAOYSA-N 301.371 3.470 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12 14023375 HZVWVQLUJTYMDB-UHFFFAOYSA-N 308.337 3.136 0 40 DGAB O=C(OCc1nc(-c2ccsc2)no1)c1cc(Cl)c[nH]1 14095105 KOSPWKZXJDCOJL-UHFFFAOYSA-N 309.734 3.137 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)NCc2cc[nH]n2)C2CC2)o1 65554551 WPRAQMGZZWQGCF-XHDPSFHLSA-N 314.389 3.000 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)[C@@H]1Cc2cc(Cl)ccc2O1 14135365 ALSLYDNQYKAUNZ-HNNXBMFYSA-N 317.728 3.011 0 40 DGAB Cc1ccccc1CN1CCC[C@@H](C(=O)N2CCCCC2)C1 4746260 TUUINEWAZSNRQR-GOSISDBHSA-N 300.446 3.220 0 40 DGAB CC[C@H](CNC(=O)c1cccc(NC(N)=O)c1)c1ccccc1 15597589 KNOQJGDIOMKDHC-CYBMUJFWSA-N 311.385 3.101 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1 25646446 GZDFMZAAIFJLMG-ZDUSSCGKSA-N 319.788 3.303 0 40 DGAB O=c1oc(-c2cccs2)nn1CN1CCC[C@H]2CCCC[C@@H]21 7989984 QUPIWMLGDSMCPM-OLZOCXBDSA-N 319.430 3.177 0 40 DGAB COc1ccc(-c2ccc(CNC(=O)[C@@H](C)OC)s2)cc1 96446377 WDTYDBPJYXNURA-LLVKDONJSA-N 305.399 3.075 0 40 DGAB CC[C@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408162 XNAJDXNGXZSOOT-NWDGAFQWSA-N 312.360 3.029 0 40 DGAB C[C@H](NC(=O)COC[C@H]1CCCO1)c1csc2ccccc12 71879994 YPFBMPHGIIAWET-QWHCGFSZSA-N 319.426 3.274 0 40 DGAB C[C@H]1CN(C(=O)c2cccn2Cc2cccs2)CC(C)(C)O1 71831211 YGSZDJAYGAPROB-ZDUSSCGKSA-N 318.442 3.237 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](O)c2ccc3ccccc3c2)c(C)n1 71890810 SDERDMYSIBCKOA-LJQANCHMSA-N 320.392 3.315 0 40 DGAB Cc1nc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cs1 71894153 QBUJMYGOYHHCED-UHFFFAOYSA-N 308.369 3.431 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)Nc2cc(C)on2)cc1 71810896 FFIVLNLCBAAVFR-AWEZNQCLSA-N 301.346 3.361 0 40 DGAB Cc1ccc(CSCC(=O)NCC(C)(C)C[C@H](C)O)cc1 76086486 KYYLYQGIADERNV-AWEZNQCLSA-N 309.475 3.142 0 40 DGAB CCC(=O)c1cccc(NC(=O)N(CCO)C2CCCCC2)c1 97113440 IENJSVKKGTYLCO-UHFFFAOYSA-N 318.417 3.438 0 40 DGAB COc1ccc(Cl)cc1CNCc1cnccc1N(C)C 97115675 BJNSNZMJNBIJNG-UHFFFAOYSA-N 305.809 3.099 0 40 DGAB CC1(C)Cc2cccc(CN3CCC(NCC4CC4)CC3)c2O1 97229197 NYXGIZQCGYXNHR-UHFFFAOYSA-N 314.473 3.364 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84525410 RACRJIXGIOPPJG-ARFHVFGLSA-N 323.396 3.414 0 40 DGAB Cc1ncc2c(n1)CCC[C@@H]2Nc1ccc(Br)cn1 95399776 FWYMSPOYGQIPLO-ZDUSSCGKSA-N 319.206 3.432 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1ccc2[nH]c(C(F)F)nc2c1 95443769 ACNXOWOHVAKGEK-JTQLQIEISA-N 309.316 3.398 0 40 DGAB CCN(Cc1cccs1)C(=O)C[C@@H]1CSCCS1 95433505 FDAJLQDFAWZEHY-GFCCVEGCSA-N 301.502 3.335 0 40 DGAB CCOc1ccc(CSCc2cccc(C(=O)NC)c2)nc1 95418057 IBGAJYPEPKQEOT-UHFFFAOYSA-N 316.426 3.273 0 40 DGAB Cc1nc(Cl)cc(N2CCC[C@H]2CC(=O)c2ccco2)n1 95467667 ZIDQGQRNHXUOCQ-NSHDSACASA-N 305.765 3.273 0 40 DGAB Cc1cc(NC(=O)Nc2ccccc2OC(F)(F)F)nn1C 95460842 WCTSIUCDCBSQHP-UHFFFAOYSA-N 314.267 3.271 0 40 DGAB CCc1ccc(CN[C@@H](C)c2cccc(NS(C)(=O)=O)c2)o1 95415429 NAXYOMQZGHPGFT-LBPRGKRZSA-N 322.430 3.064 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2ccncc2Cl)c(Cl)c1 95447379 PEXIRONZAAWMHW-UHFFFAOYSA-N 324.167 3.000 0 40 DGAB CC(C)[C@@H](C(=O)O)[S@](=O)Cc1ccc(C(F)(F)F)cc1 97826607 LEEPCYDDRNDMJN-YBTHPKLGSA-N 308.321 3.063 0 40 DGAB Cc1ncc(C(=O)Nc2cnccc2N2CCCCC2)s1 79041041 UVCDETFQCZGVKD-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB CC[C@](C)(NC(=O)c1cccc(C(=O)O)c1)c1nc(C)cs1 95976720 MJZGIVIIGJTJOV-INIZCTEOSA-N 318.398 3.205 0 40 DGAB Cc1ccccc1[C@@H](NCC(=O)Nc1c(C)n[nH]c1C)C(C)C 95985097 GDLTYTPVAPJWKK-KRWDZBQOSA-N 314.433 3.260 0 40 DGAB Cc1cnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)s1 28224775 IIDMUUJWXBRHLO-UHFFFAOYSA-N 308.428 3.131 0 40 DGAB CCc1cccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)c1 67292609 IRXCKNGCMCRKCR-VZCXRCSSSA-N 322.364 3.335 0 40 DGAB Cc1cc(C)n(CCCNC(=O)c2cc3ccccc3cc2O)n1 23246278 JQOIFOWHCIKSPT-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB CN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)cc2)C1=O 409188929 KSOIZKPQLASLAT-RVDMUPIBSA-N 310.378 3.360 0 40 DGAB CC(C)OC(=O)NCCOC(=O)Nc1ccc(Cl)cc1 3014496 OYGKZISHHKFFGI-UHFFFAOYSA-N 300.742 3.023 0 40 DGAB biogenic C[C@@H](OC[C@@H]1CCCO1)C(=O)O[C@H]1CCSc2ccccc21 78442687 VZAHCDAQVZLKRO-IPYPFGDCSA-N 322.426 3.351 0 40 DGAB Cc1cccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)c1C 33784539 HGTHFFZQVITSJP-UHFFFAOYSA-N 307.390 3.409 0 40 DGAB CC[C@@]1(C)OC(=O)N(CCc2c[nH]c3ccc(C)cc23)[C@]1(C)O 35327500 IHZLTVTTYVVGLD-QZTJIDSGSA-N 316.401 3.348 0 40 DGAB C[C@H]1COc2ccccc2N1C(=O)Cc1ccc(Cl)nc1 72531976 CJPRIFCSCMUSIK-NSHDSACASA-N 302.761 3.092 0 40 DGAB C[C@@H](OCC1CCN(C(=O)OC(C)(C)C)CC1)c1cnccn1 72203972 IHEPEGRKHMYCIS-CYBMUJFWSA-N 321.421 3.201 0 40 DGAB CC(C)n1ccc(C(=O)NCCc2nc3ccccc3s2)n1 74718548 HFVAFKUTRMODHU-UHFFFAOYSA-N 314.414 3.046 0 40 DGAB CCOc1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 33145385 OGKNNCDNBDVFNN-KRWDZBQOSA-N 310.353 3.217 0 40 DGAB C[C@@H](N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 72203929 XHVIHPAHSMZJAP-ZIAGYGMSSA-N 305.422 3.132 0 40 DGAB Cc1cc(CNC2CCN([C@H](C)Cc3ccccc3)CC2)no1 560126790 HUKHBAUBECBYOY-OAHLLOKOSA-N 313.445 3.168 0 40 DGAB CC(C)[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 76670627 URVDRLUVIPHJGM-SECBINFHSA-N 310.246 3.457 0 40 DGAB C[C@@H](NC(=O)COC1CCCC1)c1cccc(-n2cccn2)c1 73205054 HQONAMWSYRCDEM-CQSZACIVSA-N 313.401 3.009 0 40 DGAB Cn1cc(CN2CC[C@@H](Cc3cnc4ccccc4c3)C2)cn1 72368001 KIEFWYOWKACWRZ-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 42646730 XREYLOJMXHJQBE-CJNGLKHVSA-N 318.417 3.107 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)c(C)c1 223518806 HPECQIWCJBGIKX-UHFFFAOYSA-N 310.397 3.186 0 40 DGAB CC(C)[C@H](NC(=O)c1sccc1Cl)C1(CO)CCC1 581439028 HTORWZPMNVJGEZ-LBPRGKRZSA-N 301.839 3.319 0 40 DGAB FC(F)(F)Oc1cnc(Cl)cc1I 91252413 DPEXAPQDSCSEEO-UHFFFAOYSA-N 323.439 3.238 0 40 DGAB CCN(C)c1ccc(/C=C/c2nc(C(=O)O)c(C)s2)cn1 352035910 UZJPWPRQZZFKHU-SOFGYWHQSA-N 303.387 3.171 0 40 DGAB COCC(=O)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 55227969 OHSCYFZCILVJCL-INIZCTEOSA-N 308.381 3.062 0 40 DGAB COc1ccccc1C[C@H]1CCCN([C@H](C)c2nnc(C)o2)C1 66894003 CQAVZZPLNINGTA-UKRRQHHQSA-N 315.417 3.402 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@H](C)CCC[C@H]1C 68962638 NDPVTOZMBWGXAY-ZIAGYGMSSA-N 317.433 3.155 0 40 DGAB CC(C)c1noc(CN(C)Cc2nc3ccccc3s2)n1 69394206 NXXUNUARWOXMBH-UHFFFAOYSA-N 302.403 3.435 0 40 DGAB COCCOCCCC(=O)N1CCCC[C@@H]1Cc1ccccc1 69527581 NSESNIXHGUBWSU-GOSISDBHSA-N 319.445 3.053 0 40 DGAB C[C@@H](C/C(O)=N/S(C)(=O)=O)c1ccccc1C(F)(F)F 76758462 HCIRDCBWEWPLSJ-QMMMGPOBSA-N 309.309 3.115 0 40 DGAB COc1cc(C(=O)NCCC[C@H]2CCC[C@@H]2O)ccc1Cl 97022235 NVZZJTCASQNVEV-RISCZKNCSA-N 311.809 3.020 0 40 DGAB Cn1nc(C2CCCC2)cc1NC(=O)c1cccc2cn[nH]c12 97082031 MCZCOXLPDWUGSF-UHFFFAOYSA-N 309.373 3.206 0 40 DGAB CCOCCCNC(=S)Nc1cccc(C(F)(F)F)c1 57434781 DTWSKRXGVDRAAZ-UHFFFAOYSA-N 306.353 3.418 0 40 DGAB CC[C@H](O)CCNC(=O)Nc1cccc(C)c1Br 95945552 OPXCOIVNOLLDOZ-JTQLQIEISA-N 315.211 3.040 0 40 DGAB CCCCC[C@H](O)CC(=O)O[C@@H](CCCCC)CC(=O)O 216292282 ZDDYUVZDVHQVRW-KBPBESRZSA-N 302.411 3.285 0 40 DGAB biogenic,in-vitro COc1ccccc1OCC(=O)Nc1ccc(OC(C)C)cc1 5644338 YYUHTZJEGGGGAU-UHFFFAOYSA-N 315.369 3.500 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C(=O)N1c1cccc2ccccc12 169305903 VIUCACLIKCQYBA-INRFCZIPSA-N 315.372 3.397 0 40 DGAB CC(C)Oc1ccc(NC(=S)NCc2ccncc2)cc1 202992420 NZDGDUOELDSERI-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB O=C(NCCn1cc(-c2ccccc2)cn1)Nc1ccccc1 245026616 NDFFXYWHZRVILG-UHFFFAOYSA-N 306.369 3.372 0 40 DGAB O=c1oc2ccccc2cc1-c1cn(-c2ccc(F)cc2)c(=O)[nH]1 2466201 BLUCBDIPSNKYEU-UHFFFAOYSA-N 322.295 3.078 0 40 DGAB Cc1nn(CC(=O)Nc2nc3ccccc3s2)c(C)c1Cl 4753732 GKZCHQRSYQTTNS-UHFFFAOYSA-N 320.805 3.402 0 40 DGAB COc1ccc([C@H]2CCN(c3ncnc4cnccc34)C2)cc1 1775970935 KJKFKXQRRBTOAO-AWEZNQCLSA-N 306.369 3.027 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2cccc(Cl)c2)CC1 1004020235 AAZIJFXVHLIVOJ-UHFFFAOYSA-N 308.853 3.467 0 40 DGAB O=C(NCC[C@@H](O)c1ccccc1)c1cc(-c2ccccc2)on1 72243182 IDVSVGHTMRVFGB-QGZVFWFLSA-N 322.364 3.195 0 40 DGAB CC(C)c1ccc(CN2CCN(C(=O)C3CCC3)CC2)cc1 40162194 DDRQIIKCTQWGKU-UHFFFAOYSA-N 300.446 3.254 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)CCNC(=O)C2CCCC2)c1 30888490 BAUVEYILDNPGQW-HNNXBMFYSA-N 316.445 3.177 0 40 DGAB CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C(C)(C)C)C2 280984 KDVJWVZVZCHFNN-SECBINFHSA-N 308.447 3.347 0 40 DGAB CCOc1cc(CNCc2ccncc2)cc(Cl)c1OC 360301 GVTSAKXCJQFWHF-UHFFFAOYSA-N 306.793 3.432 0 40 DGAB Cc1ccc(NC(=O)c2[nH]nc(C)c2Br)c(C)c1 40556004 FGLGQOZOYKIDOB-UHFFFAOYSA-N 308.179 3.350 0 40 DGAB CCOC(=O)CCCC(=O)c1cccc(CN2CCCC2)c1 2515098 VBLZGUDBCSCOOJ-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB CC(C)Sc1nnc(NC(=O)Cc2ccc(F)cc2)s1 7345405 ULZCMYVTCFJYRK-UHFFFAOYSA-N 311.407 3.359 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1C 32586199 CXMFSKAMYINJMX-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1c1nc2ccccc2s1 69667074 FTDUCEJNYJDIGR-GJZGRUSLSA-N 315.442 3.276 0 40 DGAB CCc1c(C)nn2c(O)cc(Cc3c[nH]c4ccccc34)nc12 100776138 BBAGSYPVYKEVHZ-UHFFFAOYSA-N 306.369 3.378 0 40 DGAB CCOC(=O)N[C@H](CNC(=O)c1cc(C)ccc1C)CC(C)C 32914570 QKLCMYZERVQUPV-HNNXBMFYSA-N 320.433 3.194 0 40 DGAB COc1ccc([C@H]2C3=C(O)C[C@H](C)CC3=Nc3ncnn32)cc1 102672970 XZFMTWLOJRDCAB-HWPZZCPQSA-N 310.357 3.204 0 40 DGAB Cc1ccc(F)cc1NC(=O)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102971673 OOHDRYOLHAWNIK-LGBHXNNWSA-N 303.377 3.404 0 40 DGAB CCONC(=O)c1sc2nc(C(F)(F)F)ccc2c1C 29764231 SCBNCXLOTAJBTI-UHFFFAOYSA-N 304.293 3.305 0 40 DGAB CC(C)CNC(=O)CSCc1ccccc1Br 58165009 BYPGRRDSKUFWOD-UHFFFAOYSA-N 316.264 3.455 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCN(c2ccccc2)CC1 24772055 HMSSGRUSEAITHE-FQEVSTJZSA-N 320.436 3.455 0 40 DGAB Cn1cc(CCC(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)cn1 106648458 JXRLSICZMHSJEC-DKIMLUQUSA-N 315.461 3.170 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108860287 LNDBOYAKFWSGQU-FXUDXRNXSA-N 317.429 3.405 0 40 DGAB Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(C)c1Cl 102599845 MZLJWZPEGTVBHN-FBUXBERBSA-N 323.868 3.484 0 40 DGAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H](C)C(C)C 47988639 FEXSYGDAWKUOLD-LBPRGKRZSA-N 303.406 3.053 0 40 DGAB CSc1nnc(CN2CCCCC2)n1Cc1ccccc1 57530357 XMFKPIWZTAXFEQ-UHFFFAOYSA-N 302.447 3.034 0 40 DGAB CO[C@@H](CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 47907544 VVEKOYLMTDUWGL-AWEZNQCLSA-N 302.374 3.224 0 40 DGAB Cc1cc(C)c(C)c(S(=O)(=O)NCc2ccccc2)c1C 3277501 NYBLXCSLTQEWGY-UHFFFAOYSA-N 303.427 3.399 0 40 DGAB Cc1nc(N2CCN(C)CC2)c2c(-c3ccccc3)csc2n1 8064139 ZCRNMPBTXONLAQ-UHFFFAOYSA-N 324.453 3.419 0 40 DGAB O=C(Nc1ccccc1O[C@@H]1CCOC1)N1C[C@H]2CCC[C@@H]2C1 89814139 GXZUYJLSWKWZCG-RBSFLKMASA-N 316.401 3.118 0 40 DGAB CN(Cc1ccncc1)C(=O)Cc1ccc(-n2cccc2)cc1 58158532 YGPONBVOWPFFKV-UHFFFAOYSA-N 305.381 3.073 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2cn(C)c3ccccc23)no1 58290696 BYTSBWYRRFIPSB-GOSISDBHSA-N 323.396 3.381 0 40 DGAB O=C(Cc1cccc(F)c1)NC1CCN(CC2CCCC2)CC1 58208613 KWWVOSHNWJRQIF-UHFFFAOYSA-N 318.436 3.139 0 40 DGAB COc1cccc(Oc2ccc(CNc3ncccn3)cn2)c1 44976593 UACXKCHSPDAXDR-UHFFFAOYSA-N 308.341 3.285 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@H](C)O[C@H](C)C1 12781212 BVUPMWDDSKVKPX-TXEJJXNPSA-N 316.426 3.368 0 40 DGAB CC(C)NC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12799875 WOBMEABETPQUTF-FGEFZZPRSA-N 322.459 3.042 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1ccnn1Cc1ccccc1 12763736 CKZMYMVZFKCRKR-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3ccc(O)cc3)cs2)o1 48265380 OLDFAQIFCKMVPW-UHFFFAOYSA-N 314.366 3.347 0 40 DGAB O=C(NCc1cccc(OCc2ccccc2)c1)[C@@H]1CCCO1 48340818 IVVUJFCRSVGZQY-SFHVURJKSA-N 311.381 3.061 0 40 DGAB CCOCCCNC(=O)c1sc(-c2ccc(F)cc2)nc1C 17401583 CLWHGOLVITYEOB-UHFFFAOYSA-N 322.405 3.414 0 40 DGAB CN(C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1)c1ccccc1 12982983 HFGVRMVWDPWNFC-NTEUORMPSA-N 320.392 3.255 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)c1ccccc1Br 3552732 AQHLPBVIRYEOQV-UHFFFAOYSA-N 324.203 3.430 0 40 DGAB O=Cc1c(Cl)ncnc1N1CCC(Cc2ccccc2)CC1 4089466 CARLVEXLBZOQIQ-UHFFFAOYSA-N 315.804 3.402 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)NCc1ccccc1 4275530 FGHHCAMWVSQIBX-UHFFFAOYSA-N 323.421 3.347 0 40 DGAB Cc1cc(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)on1 69486079 ARTGJKHZNRKYCI-CYBMUJFWSA-N 316.405 3.234 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 65564521 ZPHZFCYRNMOPNO-SJLPKXTDSA-N 323.440 3.171 0 40 DGAB CCc1ccc(OC(=O)c2ccc(Cn3cncn3)cc2)cc1 29026795 BRSWCGNTKBOIDP-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB COc1cc(NC(=O)c2ccccc2O)c(OC)cc1Cl 21513485 MXYKCELXRPHQST-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB CCOc1c(Cl)cc(C(=O)NCc2cccnc2)cc1OC 6588809 QALLDCDFQAFKRU-UHFFFAOYSA-N 320.776 3.072 0 40 DGAB Cc1cccn2c(NC(=O)[C@H]3CCCO3)c(-c3ccccc3)nc12 6610571 UURITQKOUFUMHX-OAHLLOKOSA-N 321.380 3.427 0 40 DGAB COc1ccc(N[S@](=O)c2ccc(OC)c(C)c2OC)cc1 5721601 VVPHENDNFFKBIT-QFIPXVFZSA-N 321.398 3.156 0 40 DGAB Cc1cccc(OCC(=O)c2c(O)c3ccccc3oc2=O)c1 5730714 YQGVEKUPRDVAGA-UHFFFAOYSA-N 310.305 3.069 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1)NC1CCCCCC1 6942849 VFFIMSYEGJFOQQ-OUKQBFOZSA-N 301.386 3.082 0 40 DGAB Cc1c(C(=O)O[C@@H]2CCOC2=O)oc2c1ccc1ccccc12 7007695 ILBAAPPNPQPLFD-CQSZACIVSA-N 310.305 3.367 0 40 DGAB CCc1ccccc1NC(=O)c1cnn(-c2ccccn2)c1C 8715147 NUFKXUACOHAFQG-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB CC(C)(C)C(=O)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8743270 RYGSLOZDIWSJJM-UHFFFAOYSA-N 301.365 3.147 0 40 DGAB CC1CCN(C(=O)COc2ccc(F)c3c2C(=O)C[C@@H]3C)CC1 8708928 HRORGSBSWFLXRW-LBPRGKRZSA-N 319.376 3.153 0 40 DGAB Cc1n[nH]c2ncc(NC(=O)/C=C/SCc3ccco3)cc12 90407461 IHKVQPCVFZCRDH-GQCTYLIASA-N 314.370 3.245 0 40 DGAB Cc1cnc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)s1 8935410 GLAASPOCXUYSNX-UHFFFAOYSA-N 306.435 3.102 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cc2F)cnn1-c1ccccn1 19910980 WVBVDMLPJCMITQ-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CC(=O)Nc1cccc(COC(=O)CO[C@H]2CCC[C@H](C)C2)c1 71903235 RCICUXDWBCMFMG-GUYCJALGSA-N 319.401 3.284 0 40 DGAB COCCCCN(C)[C@H](c1ccc(F)cc1)c1ncccn1 71910673 CHCGBRVZCYZKNZ-MRXNPFEDSA-N 303.381 3.064 0 40 DGAB Cc1noc(C)c1CC(=O)N(CC(C)(C)C)c1cccnc1 72288230 RKAJUUVRGFNUFC-UHFFFAOYSA-N 301.390 3.308 0 40 DGAB COCCN[C@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 97036978 GBUNUYVUVSKARC-HZMBPMFUSA-N 304.217 3.307 0 40 DGAB CC(=O)Nc1ccc(CNc2nnc(CC(C)(C)C)o2)cc1 97045494 OIORNCJBELXWHO-UHFFFAOYSA-N 302.378 3.229 0 40 DGAB CC[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1c(C)nn(C)c1C 76201068 QPTYEKOXHDEGJN-UBHSHLNASA-N 324.494 3.023 0 40 DGAB CCCc1cc(N[C@@H](C)Cc2ccsc2)n2ncnc2n1 84758978 DOBMNFNJOYWRNM-NSHDSACASA-N 301.419 3.181 0 40 DGAB CCC(=O)N(C)c1ccccc1C(=O)Nc1c(CC)noc1C 95991432 PBHXBNIOSJHOFA-UHFFFAOYSA-N 315.373 3.171 0 40 DGAB COc1ccc([C@H]2C[C@@H](C)CN2Cc2ccc(CO)o2)cc1 95982910 CNWGDKSBDHURGX-FZKQIMNGSA-N 301.386 3.364 0 40 DGAB CCC(O)(CC)CN1CCC[C@H](c2nc3ccccc3[nH]2)C1 95992545 RLLVKDULSXWWRS-AWEZNQCLSA-N 301.434 3.293 0 40 DGAB COCc1cccc(C(=O)N(c2nc(C)cs2)C2CC2)c1 78869285 LIURIHPECALKIM-UHFFFAOYSA-N 302.399 3.407 0 40 DGAB COC(=O)c1csc(NC(=O)N(C)[C@H](C)c2ccco2)c1 79110523 CLHZHJZBERIBSL-SECBINFHSA-N 308.359 3.353 0 40 DGAB Cc1nc2c(c(Oc3ccc(-n4cncn4)cc3)n1)CCCC2 543876784 DHTUQRYIUQLCHQ-UHFFFAOYSA-N 307.357 3.037 0 40 DGAB Cc1ccccc1OC[C@@H]1CCCN(C(=O)c2cccnc2)C1 62555549 VBDSIBQOYIVKJW-MRXNPFEDSA-N 310.397 3.321 0 40 DGAB COC(=O)c1ccc(OC(C)C)c(NCc2cc(C)on2)c1 60208138 WPZHBGRPQDKPRN-UHFFFAOYSA-N 304.346 3.169 0 40 DGAB COc1ccc(Cl)c2sc(NC(=O)c3cnccn3)nc12 36702484 JUXMIAAGOPIZTK-UHFFFAOYSA-N 320.761 3.001 0 40 DGAB Cc1nnc([C@H]2CCCN(C(=O)Nc3cccs3)C2)s1 38666569 YRKKPTXALXQCCN-JTQLQIEISA-N 308.432 3.320 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412866 UZHCDMIGFKTUQI-LNKGRISISA-N 323.440 3.268 0 40 DGAB CN1Cc2ccccc2[C@H]1CNC(=O)c1ccc2cnccc2c1 1535621404 ZTKGRDYMSYWUTE-LJQANCHMSA-N 317.392 3.151 0 40 DGAB O=C(NC1CCOCC1)C1(Sc2ccccc2)CCCC1 78876526 RVBJEJDDHYAFHG-UHFFFAOYSA-N 305.443 3.387 0 40 DGAB O=C(NCc1ccccc1F)c1nnsc1-c1ccccc1 72239958 PQXZUBUAEFCSND-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc(=O)[nH]c1 72212279 ADOJTHKBKFFDCX-INIZCTEOSA-N 312.369 3.239 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@@H](c3ccccc3)C2)cc1 565249687 FPNDFCXQEABXAA-QGZVFWFLSA-N 309.365 3.405 0 40 DGAB CCCN(CCO)C(=O)Nc1cccc(N2CCCCCC2)c1 77723962 BONCCEALCQYKJY-UHFFFAOYSA-N 319.449 3.303 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)[C@@H](C)CCOc1ccccc1 73074982 YKDXJXOCROJDRN-UONOGXRCSA-N 315.417 3.011 0 40 DGAB Cc1nscc1C(=O)NC(C)(C)COCc1ccccc1 225598539 NUOITSCSHSJRIK-UHFFFAOYSA-N 304.415 3.177 0 40 DGAB Cc1ccc(C)c([C@H]2CN(CCCCC(=O)O)[C@@H](C)CO2)c1 225574877 GJZGDJOMMCPCAT-DOTOQJQBSA-N 305.418 3.320 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](c3nc(C(C)C)no3)C2)o1 41123652 QRRZMKKTXHILQM-GFCCVEGCSA-N 303.362 3.114 0 40 DGAB COc1cccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)c1 44922059 CHULABYOMBPTMH-CQSZACIVSA-N 303.387 3.161 0 40 DGAB COc1cccc(NC(=O)N[C@@H]2CCO[C@H]2c2ccccc2)c1 83062635 FWMNEICQRXBPDI-SJORKVTESA-N 312.369 3.347 0 40 DGAB c1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)cc1 49169640 JEDHMSSOFQFYJH-INIZCTEOSA-N 306.369 3.121 0 40 DGAB biogenic,in-vitro CCN(CC)CCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1 225601771 WCUKSYIATVGDCT-SFHVURJKSA-N 322.449 3.161 0 40 DGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2)CC1=O 44716289 MXWVGMCCSKTUQA-GOEBONIOSA-N 308.381 3.235 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(-c3nc(C)no3)cc2)c1 46018785 YWDWKSJZIQNSAH-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1ccc([S@@](C)=O)c(F)c1 80130310 RCUYRJMFYHMGCX-QFIPXVFZSA-N 320.389 3.227 0 40 DGAB Cc1cc(C)n(-c2ccc(N3CCC[C@@H]3c3ccco3)nn2)n1 96413736 WAULBXGZDPZAJE-CQSZACIVSA-N 309.373 3.214 0 40 DGAB C[C@H](O)[C@@H](C)S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 96494628 QEPFZDCMFJIAID-IGJMFERPSA-N 317.813 3.087 0 40 DGAB CCOc1cccnc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 96451164 IOGHABNURYEZDL-UHFFFAOYSA-N 324.380 3.115 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccco3)CC2)[C@H]1c1ccccc1 96100232 VRYZAROQKVDXOP-QGZVFWFLSA-N 310.397 3.075 0 40 DGAB COC(=O)c1cc(C(=O)N[C@@H](C)c2cccc(Cl)c2)ccn1 96456880 PGAAPVYCJFDUCM-JTQLQIEISA-N 318.760 3.013 0 40 DGAB CC(C)(C)OC(=O)N1CCc2oc(Br)cc2C1 96509842 UJELULXOWCPAAE-UHFFFAOYSA-N 302.168 3.335 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)NCC(F)(F)F 49535536 CGWBLNJCWNZHKD-UHFFFAOYSA-N 302.079 3.051 0 40 DGAB COC(=O)c1cc(F)c(C)c(OCc2nnc(C(C)C)o2)c1 95451652 KIAVZLSVKNRAOT-UHFFFAOYSA-N 308.309 3.006 0 40 DGAB C[C@H]1C[C@@H](Sc2nnc(CCCc3ccccc3)o2)C(=O)O1 96430335 MQFATJXHCGPXQN-WCQYABFASA-N 318.398 3.041 0 40 DGAB Cc1cccc(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)n1 257294267 QTHMJGPLABMXIQ-OAHLLOKOSA-N 307.401 3.041 0 40 DGAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1c1ccn[nH]1 257286271 PKYOZUYDZMUHII-MRXNPFEDSA-N 306.369 3.325 0 40 DGAB O=C(c1c[nH]cn1)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257210343 BUFAMDSPJVJNJJ-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CN2CCCOCC2)cc1 257294287 QTKLEGCDKWCKEP-UHFFFAOYSA-N 311.381 3.274 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](c3ccnc(C)n3)C2)c[nH]1 257257664 KQPPDPXPWGXPFY-OAHLLOKOSA-N 313.449 3.230 0 40 DGAB COC(=O)c1cccc(-c2noc([C@H]3CCO[C@H]3C(C)C)n2)c1 252481327 CJBCRDJQDMVBDT-KBPBESRZSA-N 316.357 3.052 0 40 DGAB CCCCn1cc(CN2CCC[C@H](c3ccn[nH]3)C2)c(C)n1 257275559 NPWVPACLSRVNPD-HNNXBMFYSA-N 301.438 3.094 0 40 DGAB O=C(NOCc1ccc(F)cc1Br)C1CCCC1 67448945 HNMKHRYJOQGHPT-UHFFFAOYSA-N 316.170 3.326 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 95947285 CRFFYGYKSJGQAM-ZDUSSCGKSA-N 324.384 3.188 0 40 DGAB O=C(CCc1ccncc1)Nc1cc(Cl)cc2c1OCC2 97162091 XLTPDJLDGIWHTR-UHFFFAOYSA-N 302.761 3.241 0 40 DGAB Cc1ncsc1C(=O)N[C@@H](Cc1ccccc1)C(F)(F)F 89565459 JIPIQZSYDZOKHZ-NSHDSACASA-N 314.332 3.355 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1 80088169 VMWWKMWAOMKKLH-WBMJQRKESA-N 318.417 3.256 0 40 DGAB CCOc1ccc(/C=C/C(=O)NCc2ccco2)cc1OC 55707 KVOPHMVRDYIDKZ-VQHVLOKHSA-N 301.342 3.017 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Oc2nc3ccccc3[nH]2)c(C)c1 5214518 ZBPNDAPJHLTUTE-UHFFFAOYSA-N 316.382 3.256 0 40 DGAB Cc1ccn(CCNC(=O)c2[nH]c3c(Cl)cccc3c2C)n1 12199153 TWILFPRRNFPMBK-UHFFFAOYSA-N 316.792 3.065 0 40 DGAB Cc1ccccc1CN1CCC(O)(c2cccnc2F)CC1 13227662 QMFRNRUIJRFUHM-UHFFFAOYSA-N 300.377 3.013 0 40 DGAB COc1ccc(O[C@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604743 RSDYZGJIEZFNJY-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CCOc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1 13676608 WUUPGZGHIRWHNN-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB Cc1ccc2c(CC(=O)N3C[C@@H](C)C[C@@H](C)C3)cc(=O)oc2c1 17862892 CXOVAQFVKHWYEF-OKILXGFUSA-N 313.397 3.148 0 40 DGAB Cc1cc(C)c(C[n+]2ccccc2)c(C)c1C[n+]1ccccc1 2565161 INKXZWDSHSEQRC-UHFFFAOYSA-N 304.437 3.283 0 40 DGAB CN(c1ncc(Cl)cn1)C1CCN(CC2CCCC2)CC1 1848585752 PICWAZVMDUFCSX-UHFFFAOYSA-N 308.857 3.221 0 40 DGAB O=C(CSc1ccc(Cl)nn1)c1ccc2c(c1)CCO2 28486266 OIZHHIKLIOWYKS-UHFFFAOYSA-N 306.774 3.040 0 40 DGAB O=C(CSc1ncc(-c2ccccc2)[nH]1)NCc1ccccc1 13233829 MZOKHHMKJRFIDV-UHFFFAOYSA-N 323.421 3.485 0 40 DGAB Cn1cc([C@@H]2CCCCN2C(=O)/C=C/c2cccs2)cn1 585148697 BPNDELLARYJVCD-KIUWMYQTSA-N 301.415 3.249 0 40 DGAB CC(C)c1nnc(SCCCOc2ccccc2C=O)n1C 8731688 NFNUKMOEAGCGOU-UHFFFAOYSA-N 319.430 3.312 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)CC1CCCC1)c1ccccc1F 40475581 JYOIMNRJKNJPIB-KRWDZBQOSA-N 315.392 3.345 0 40 DGAB Cc1cc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2[nH]1 31721959 WOASBQKXQXLHBN-UHFFFAOYSA-N 304.346 3.416 0 40 DGAB C[C@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 429241 YTRWIGCMUUYASI-AWEZNQCLSA-N 308.381 3.304 0 40 DGAB COc1ccc(C2=CCN(C(=O)c3cccc(C)n3)CC2)cc1 40542402 IDSYGNFAFWOOEY-UHFFFAOYSA-N 308.381 3.328 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2cc3c(s2)CC[C@H](C)C3)cnn1C 36763500 QIXJYFAZUGVCIC-WDEREUQCSA-N 317.458 3.406 0 40 DGAB CCCc1noc([C@H](C)Nc2cccc(N3CCOC3=O)c2)n1 40511420 YFFNEPPYVPKFBB-NSHDSACASA-N 316.361 3.152 0 40 DGAB Cc1ccccc1NCN1C(=O)[C@@H]2CC[C@](C)(C1=O)C2(C)C 2255716 GJQRSVANRABPSC-SCLBCKFNSA-N 300.402 3.176 0 40 DGAB O=C(CCCCC(=O)NCc1ccccc1)NCc1ccccc1 3145298 MFBKELHPKHLNTH-UHFFFAOYSA-N 324.424 3.180 0 40 DGAB COC(=O)CSc1nc(C)cc(-c2ccc(Cl)cc2)n1 6501228 MBZRFNUDMDDTBN-UHFFFAOYSA-N 308.790 3.371 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1ccccn1 6747846 JLLIYCJZMLNKAW-GOSISDBHSA-N 318.380 3.427 0 40 DGAB O=C(O)[C@H](c1c[nH]c2cc(F)ccc12)N1CCc2ccccc2C1 20745867 XOMHYUMIFAWCSJ-SFHVURJKSA-N 324.355 3.491 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccccc1F 55693597 ULKIPCMFJULVSN-CQSZACIVSA-N 301.361 3.260 0 40 DGAB O=C(NCCc1ccc(O)cc1)[C@H]1CCCC[C@H]1C(F)(F)F 89787467 WJYMZNNYQKIESV-UONOGXRCSA-N 315.335 3.420 0 40 DGAB O=C(COC(=O)c1cc(C2CC2)nc2ccccc12)c1ccc[nH]1 21439359 DSXHEWXLFJJVBZ-UHFFFAOYSA-N 320.348 3.480 0 40 DGAB C[C@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 9915375 LGNGBMNZDPJMGU-JTQLQIEISA-N 320.751 3.295 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1COc2ccccc2C1 12517395 QJGHTHNRFYQHSF-INIZCTEOSA-N 322.408 3.477 0 40 DGAB CCn1nc(C)cc1NC(=O)COc1ccc2ccccc2c1 28241257 ABFRKABIGKEFBC-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc3c(s2)CC[C@H](C)C3)no1 25137046 IDIRAESLYNNBJH-JTQLQIEISA-N 304.415 3.442 0 40 DGAB COc1ccc(Cl)cc1CN1CCC[C@@H](CCC(=O)O)C1 43585239 JWOYHSIHSFVMNQ-LBPRGKRZSA-N 311.809 3.425 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1Cc1ccccc1 25515991 VQGKSDPOORUNND-INIZCTEOSA-N 309.365 3.263 0 40 DGAB COc1cc(/C=C/C(=O)N2CCCc3ncccc32)cc(OC)c1 25673828 KRFBOCQJRVBKTM-BQYQJAHWSA-N 324.380 3.091 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)COc1ccc(Cl)cc1Cl 35127103 YDTUSOPROPOCJM-UHFFFAOYSA-N 314.172 3.351 0 40 DGAB Cc1c(C)c2ccc(OCC(=O)OC(C)(C)C)c(C)c2oc1=O 3269014 MKHUCLQRZWVOKP-UHFFFAOYSA-N 318.369 3.439 0 40 DGAB CCCCCCNC(=O)CCNC(=O)c1ccccc1Cl 35655434 UWBCVMZDIXWPED-UHFFFAOYSA-N 310.825 3.156 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCC[C@H](C)C1 58087258 IEYICNHPSOPDAL-WFASDCNBSA-N 317.433 3.397 0 40 DGAB Cc1ccc(CC(=O)NCc2ncc(-c3ccccc3)[nH]2)s1 58327696 LZQNSTYCVPDWIY-UHFFFAOYSA-N 311.410 3.306 0 40 DGAB CCOc1cccc([C@H](C)NCc2c(C)nn(C)c2N(C)C)c1 58421755 FWLJSZKCAGJDAF-ZDUSSCGKSA-N 316.449 3.044 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1 3341072 XAXHIPVGEGGUJJ-INIZCTEOSA-N 308.381 3.466 0 40 DGAB C[C@@H](c1cccc(Cl)c1)N(C)CC1CCN(CCO)CC1 69628583 PSKRLXRDQVFGEU-AWEZNQCLSA-N 310.869 3.037 0 40 DGAB COc1cccc(NC(=O)N[C@H](CN(C)C)c2ccccc2)c1 48252807 KPBNPRKQURCWMW-QGZVFWFLSA-N 313.401 3.120 0 40 DGAB CC(C)C[C@@H]1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 3487789 FCGSGIUYRMXYMB-LBPRGKRZSA-N 314.307 3.172 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2c(F)cccc2F)c1 3443031 YWJKLUUTDWSXRM-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1ccccc1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 13000514 BATZXDLDEANSLR-IBGZPJMESA-N 308.425 3.447 0 40 DGAB C[C@@H](C(=O)Nc1c(F)cccc1F)N1CCc2ccccc21 8308565 DELMCDSQGHEECJ-NSHDSACASA-N 302.324 3.355 0 40 DGAB Cc1cccc(OCc2nnc(S)n2Cc2ccco2)c1 4279467 BFDCKJCXUUYYGI-UHFFFAOYSA-N 301.371 3.096 0 40 DGAB Cc1cc(C)cc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 5245910 VFVSIHZKMBCSDS-HNNXBMFYSA-N 320.396 3.375 0 40 DGAB CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1C 14060758 NUPTZTORXHVMCF-UHFFFAOYSA-N 321.380 3.481 0 40 DGAB Cn1c(SCc2ccc(F)cc2)nnc1-c1ccc(N)cc1 4676313 JTRYUSWXLBYFLC-UHFFFAOYSA-N 314.389 3.496 0 40 DGAB COc1ccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557399 ZJPRBMXVXJAMPO-UHFFFAOYSA-N 315.413 3.159 0 40 DGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1c[nH]c2ccccc12 5798139 MQYLUQJTGMZNHZ-UHFFFAOYSA-N 320.270 3.231 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2ccncc2)c1 15513561 KJISEGMAUYNWJG-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2N[C@H]1CCSc2ccccc21 90223347 SMMBBKWJKCKNOV-UONOGXRCSA-N 300.431 3.248 0 40 DGAB Cc1ccc(OCc2nn3c(C(C)(C)C)nnc3s2)cc1 8706348 AEZXCNBRWULPBP-UHFFFAOYSA-N 302.403 3.371 0 40 DGAB Cn1c(SC[C@@H]2CC2(Cl)Cl)nnc1-c1ccncc1 7214444 NBSRRUJDKGYITH-VIFPVBQESA-N 315.229 3.163 0 40 DGAB O=C(NC1CC1)[C@@H](Oc1ccc(F)c(F)c1)c1ccccc1 7401530 MTWQOMDFPBAQBH-INIZCTEOSA-N 303.308 3.364 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 7400885 XCGQQQQWGORCSZ-HNNXBMFYSA-N 314.429 3.287 0 40 DGAB CCCCCCSc1nnc(-c2ccccc2N)c(O)n1 9804807 PELGEWWSMJKVOO-UHFFFAOYSA-N 304.419 3.499 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2coc(-c3cccs3)n2)cn1 71797334 HXJJTSYJMYCXOM-CQSZACIVSA-N 314.414 3.474 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@H](C)n1cccc1 71872151 YUZJNBUOUZDXIE-BBRMVZONSA-N 314.433 3.153 0 40 DGAB CC(C)c1nnc(CN(CCCO)[C@H]2CCc3ccccc32)o1 71907836 DWWOJYFAPLEVDC-INIZCTEOSA-N 315.417 3.065 0 40 DGAB Cc1cc([C@@H](NC(=O)[C@@H](C)n2cncn2)C(C)C)c(C)s1 71903616 LSGYOYFZOCPFGY-RISCZKNCSA-N 306.435 3.031 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)o1 97142613 NVNNUAOEJRWJSQ-UZTGREDQSA-N 324.424 3.238 0 40 DGAB CCN(C(=O)COc1cccc([C@@H](C)O)c1)C1CCCCC1 72313878 ZZMXSVYPDHKOIO-CQSZACIVSA-N 305.418 3.300 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@H]1CC(=O)Nc2cc(F)ccc21 97218199 PFRCHRCBSDOHCN-HNNXBMFYSA-N 320.408 3.392 0 40 DGAB O=C(Cc1ccn[nH]1)N[C@H]1CCCOc2c1ccc1ccccc21 95409464 VHQIDDHBHOLGHS-KRWDZBQOSA-N 321.380 3.136 0 40 DGAB C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1F 75126070 LSNMHPNQFZROBW-CYBMUJFWSA-N 302.349 3.241 0 40 DGAB O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@H](CO)C1 75128201 NPXXFUQODMZOFQ-GUYCJALGSA-N 320.408 3.081 0 40 DGAB CN(CCCNC(=O)Cc1ccc(F)cc1)c1ccccc1 60634678 PBGKQDXIPNGOPN-UHFFFAOYSA-N 300.377 3.011 0 40 DGAB O=C(c1cccnc1)N1CC[C@@H](Cc2cccc3ncccc23)C1 72367640 LYQZINZLAFKUCT-HNNXBMFYSA-N 317.392 3.335 0 40 DGAB CN(C(=O)c1ccccc1F)c1nnc(-c2cccnc2)s1 35312731 ZQHQAGPRLLWMFK-UHFFFAOYSA-N 314.345 3.016 0 40 DGAB Cc1nnc(NC(=O)c2csc(Nc3ccccc3)n2)s1 35596730 WRGGMCLWNLISAE-UHFFFAOYSA-N 317.399 3.299 0 40 DGAB CCc1nnc(SCc2nnc(-c3ccccc3)o2)n1CC 75331887 LFVMPIRTJQULPJ-UHFFFAOYSA-N 315.402 3.203 0 40 DGAB CCn1cc(NC(=O)N(C)[C@H](C)Cc2ccccc2OC)cn1 80620631 OKELXORMPVDLCX-CYBMUJFWSA-N 316.405 3.007 0 40 DGAB O=C(c1cnns1)N1CCc2c(Cl)cc(Cl)cc2C1 135607761 LLRFBIYMNPCAOL-UHFFFAOYSA-N 314.197 3.043 0 40 DGAB CCOC(=O)Cc1csc(Nc2ccccc2OCC)n1 133819388 VAEPZLVGZRVZMT-UHFFFAOYSA-N 306.387 3.391 0 40 DGAB CO[C@H](CNC(=O)c1c(C)noc1C)c1ccc(Cl)s1 225704939 GTNDETAEQGRUEX-SECBINFHSA-N 314.794 3.124 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccc(OCCC)cc1 192679427 LOGBSJMZYFMAPA-UHFFFAOYSA-N 306.406 3.110 0 40 DGAB CCn1cc(NC[C@@](C)(O)c2cccc(C(F)(F)F)c2)cn1 97377326 XQWKDIKFFOTEAT-CQSZACIVSA-N 313.323 3.241 0 40 DGAB CC(C)(C)n1cnc(C(=O)N2CCCSc3ccccc32)n1 582234416 ZOVNMQLNHCYAFZ-UHFFFAOYSA-N 316.430 3.176 0 40 DGAB O=c1c2ccsc2ccn1Cc1nc2cc(F)ccc2o1 97236161 YTJRLNJBPXXFPD-UHFFFAOYSA-N 300.314 3.392 0 40 DGAB COc1ccc(C2=N/C(=C/c3ccc(F)c(F)c3)C(=O)O2)cc1 96019638 NTWQSSGXWWUINT-OQLLNIDSSA-N 315.275 3.318 0 40 DGAB CS(=O)(=O)Cc1nc(-c2cccc(C(F)(F)F)c2)cs1 96417555 KBIDASSTBUCZDG-UHFFFAOYSA-N 321.345 3.374 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 253504597 HMFQSUMWKTYRNZ-YTTOFPCESA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1cccc2ncccc12 257278675 ODEIQMFSIHRUOU-WOJBJXKFSA-N 323.440 3.210 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)N1C(=O)CCCc2ccccc21 252494660 OBGCKACRKJDVNG-CQSZACIVSA-N 308.381 3.383 0 40 DGAB COc1ccc2c(c1)[C@H](C(=O)N[C@H](C)c1ncc(C)s1)CC2 277682682 OWPUEJYQBAUNAI-BXUZGUMPSA-N 316.426 3.367 0 40 DGAB CO[C@@H](CNC(=O)CCc1ccccc1F)c1ccsc1 96120640 VGFNBPJVRSUWIF-HNNXBMFYSA-N 307.390 3.324 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3ccccc3)C[C@@H]21 585110008 OWCXHUZDONHVBZ-GDBMZVCRSA-N 307.397 3.012 0 40 DGAB Clc1ccc2ncnc(N3[C@H]4CC[C@H]3c3c[nH]nc3C4)c2c1 1775975498 IYBULWCPCAYTDU-BONVTDFDSA-N 311.776 3.273 0 40 DGAB O=C(N[C@H]1CC2(CCOCC2)Oc2ccccc21)c1ccco1 12337405 QCGSALSNQHVNFY-AWEZNQCLSA-N 313.353 3.082 0 40 DGAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(C)cc1 15381330 DRRODNDFOCEIKM-VAWYXSNFSA-N 311.381 3.212 0 40 DGAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)cc1F 17467223 UQVPRKDTEWEKHO-WBMJQRKESA-N 309.356 3.386 0 40 DGAB COc1cc(CNC[C@@H](C)O)ccc1OCc1ccc(C)cc1 8550145 LVGYXBPNTWYEJG-OAHLLOKOSA-N 315.413 3.053 0 40 DGAB CCCCCCC1=C(C)C(=O)N([C@@H](C(=O)O)[C@H](C)CC)C1=O 253402144 NZKFGKHNLPXKQI-BXUZGUMPSA-N 309.406 3.141 0 40 DGAB biogenic,in-vitro Cc1cnccc1O[C@@H]1CCN(c2nnc(C)c3ccccc23)C1 1889151973 KRPAILAPCWYDHN-OAHLLOKOSA-N 320.396 3.299 0 40 DGAB CC(=O)Nc1nc([C@H]2CCCCN2Cc2coc(C)n2)cs1 2037838324 DILPBVOPQYLRPE-CQSZACIVSA-N 320.418 3.125 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C1 100616356 XHCQPQMOYOZWIE-XMUKKISLSA-N 308.164 3.305 0 40 DGAB CCc1nnc(NC(=O)CSc2ccc(Cl)cc2)s1 197800 YVFZOOFJIQJGGZ-UHFFFAOYSA-N 313.835 3.485 0 40 DGAB CC[C@H](C)NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 317986 CWXHBQHYAWUPQJ-LBPRGKRZSA-N 308.385 3.233 0 40 DGAB CC(C)CN(C(=O)C1CCC1)c1nnc(-c2ccncc2)s1 1356729 AIGYBBFDFQEKSC-UHFFFAOYSA-N 316.430 3.389 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCC[C@@H](C)C1 2778718 QKZFBHQDFFLCPC-MWLCHTKSSA-N 303.328 3.030 0 40 DGAB COc1ccc2cc(CN[C@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 4130508 XRNWYVIHEPPHAR-WBMJQRKESA-N 300.402 3.205 0 40 DGAB CC(C)=C1[C@H]2C=C[C@@H]1[C@@H](C(=O)Nc1cccc(C)c1)[C@H]2C(=O)O 4461749 FFQJOTRBYKJZOZ-ABFRBSLYSA-N 311.381 3.403 0 40 DGAB CCN(C(=S)NCc1ccc2c(c1)OCO2)C1CCCCC1 6881507 FPRYQVSNWTVYDI-UHFFFAOYSA-N 320.458 3.444 0 40 DGAB Cc1noc([C@H](C)NC(=O)Nc2ccc(OC(C)C)cc2C)n1 69617668 XGPFXYIPKBPKPG-NSHDSACASA-N 318.377 3.356 0 40 DGAB COc1cccc(CNC(=O)COc2ccc(Cl)cc2C)c1 2651164 HTUDNLSPKNZEAX-UHFFFAOYSA-N 319.788 3.352 0 40 DGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1CSCc1ccc(Cl)cc1 104346455 HZZZSAWVLHCGGQ-KBPBESRZSA-N 321.829 3.482 0 40 DGAB O=C(Nc1cccc(Cl)c1)[C@@H]1CC(c2ccccc2)=NO1 32922728 AZZGNFSAZAAYKU-HNNXBMFYSA-N 300.745 3.472 0 40 DGAB COc1ccc(OC[C@H](O)CNC2CCCC2)c(C(C)(C)C)c1 2624244 LGKZHIZKWDAFRJ-OAHLLOKOSA-N 321.461 3.265 0 40 DGAB CCc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)cc1 10812562 MAJZGXFBMYLZOL-UHFFFAOYSA-N 308.425 3.140 0 40 DGAB Cc1csc(C2=C(O)CN(CCc3cccs3)C2=N)n1 102734085 BVUIHKVRZVZGEC-UHFFFAOYSA-N 305.428 3.318 0 40 DGAB Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)O)ccc2C)c1 582474 NRTJENABORLPEN-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB c1cc2c(cc1[C@H]1CCCN1Cc1noc(C3CC3)n1)OCO2 69709945 UXPMJAIEMHBROJ-CYBMUJFWSA-N 313.357 3.013 0 40 DGAB C[C@H](CN(C(=O)C1CCC1)c1ccccc1)NC(=O)C1CCC1 69743109 COPDCZDNEXEOOW-CQSZACIVSA-N 314.429 3.125 0 40 DGAB Cc1nc(CCNC(=O)Cc2c(F)cccc2Cl)cs1 22761602 ZDNJQECGHRIVGI-UHFFFAOYSA-N 312.797 3.145 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N[C@H](C)Cn1ccnc1 54508669 CCBFJYHHNWTUOK-LLVKDONJSA-N 322.796 3.145 0 40 DGAB COC(=O)c1ccc(NCc2nc(-c3ccsc3)no2)cc1 12534741 AINMGHUTVZBXEE-UHFFFAOYSA-N 315.354 3.197 0 40 DGAB O=C(Nc1ccc(Cl)cc1)[C@@H]1CCCN1C(=O)c1ccco1 24831101 NZMOSKUOTUCHCP-ZDUSSCGKSA-N 318.760 3.176 0 40 DGAB CCNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cccs2)c1 43680146 BWMPGYQTVDHTJF-NSHDSACASA-N 317.414 3.381 0 40 DGAB COC(=O)C[C@@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc21 61997420 MPLJWECLZKFIGB-CYBMUJFWSA-N 313.328 3.133 0 40 DGAB CC(=O)N(C)Cc1cccc(NC(=O)CSC(C)(C)C)c1 25914234 ARUOBIJORORFKS-UHFFFAOYSA-N 308.447 3.135 0 40 DGAB O=C(NCCCN1CCCC1)Nc1ccccc1C(F)(F)F 58196367 HZVUASNDOBCOEX-UHFFFAOYSA-N 315.339 3.313 0 40 DGAB O=C(C[C@@H]1OC(=O)c2ccccc21)NCc1ccc(Cl)cc1 3263818 YDIPATKWPVKHKZ-HNNXBMFYSA-N 315.756 3.258 0 40 DGAB CC(=O)N[C@@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 58224790 SEXSSWQVKBHOQE-CYBMUJFWSA-N 314.401 3.102 0 40 DGAB Cc1ccccc1Cn1c([C@H]2CC(=O)N(C)C2)nc2ccccc21 27789122 GFNWFRZOXOAREK-INIZCTEOSA-N 319.408 3.339 0 40 DGAB COC(=O)C1(NC(=O)c2c(F)cccc2Cl)CCCCC1 58304974 CLXWMBLQCAROMV-UHFFFAOYSA-N 313.756 3.085 0 40 DGAB CCOC(=O)N[C@@H](Nc1ccc(C)cc1)C(=O)c1ccccc1 28294173 MIOSZOOUEKDAAY-QGZVFWFLSA-N 312.369 3.362 0 40 DGAB O=C(Cc1cn2ccccc2n1)Nc1ccc(Cl)cc1F 12795618 LJHCKOHUPKXJJJ-UHFFFAOYSA-N 303.724 3.308 0 40 DGAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccc(F)cc1 3402427 FKBCILXQFXWNPR-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB Cc1nc(CC(=O)NCCCSc2ccccc2)cs1 3534363 KTRUGCHEAJBLMF-UHFFFAOYSA-N 306.456 3.293 0 40 DGAB C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 25368267 DFGBEHGDXHCJCT-ZDUSSCGKSA-N 307.390 3.049 0 40 DGAB CN(C)Cc1ccccc1CNCc1c[nH]nc1C(C)(C)C 65492241 FJHSYKNFBCOIMO-UHFFFAOYSA-N 300.450 3.059 0 40 DGAB COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccccc1Cl 6754779 QUBUKFDIPAUWBR-UHFFFAOYSA-N 301.729 3.078 0 40 DGAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccccc2)cc1C 8868563 HRIHHAVLZVZFGW-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB NC1=Nc2nc3ccccc3n2[C@H](c2ccc3ccccc3c2)N1 7126854 UVXSOMGZXFWLJH-QGZVFWFLSA-N 313.364 3.286 0 40 DGAB Cc1nc(SCC(=O)N[C@@H](C)c2ccccc2)nc(C)c1C 7253523 HVKQSASCSNDPDM-AWEZNQCLSA-N 315.442 3.371 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)c1 69226138 ULQWZYNFGVOPCI-UONOGXRCSA-N 314.433 3.467 0 40 DGAB COCC(C)(C)NC(=O)C[C@@H](c1ccccc1)C(F)(F)F 71796435 OPWRREXRLOUHNI-LBPRGKRZSA-N 303.324 3.264 0 40 DGAB CC[C@@H](NC(=O)NCc1ccc(C)nc1)c1nc(C)cs1 71856624 LZKNNXKWUUKIRL-CYBMUJFWSA-N 304.419 3.105 0 40 DGAB C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@H]1CCOC1 89839110 ZAZKNXLTUNMXGZ-UWVGGRQHSA-N 302.201 3.077 0 40 DGAB COC(=O)Nc1ccc(O[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 71965507 LIGIWAVHMNNWEW-ZDUSSCGKSA-N 322.405 3.278 0 40 DGAB Cc1cc(F)ccc1C(=O)OCc1nnc(C2CC2)n1C1CC1 97084174 IEGUANVOMSREBV-UHFFFAOYSA-N 315.348 3.295 0 40 DGAB CCOC(=O)C1CCN(Cc2ccccc2OCC(C)C)CC1 72313428 XRKDJQRFIGJCHL-UHFFFAOYSA-N 319.445 3.497 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC[C@@H]2CCC[C@@H]21 84335610 BOXXZEICCMHXSH-JQWIXIFHSA-N 316.327 3.242 0 40 DGAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1c1ccc[nH]1 84525302 IXAOTZUEGVCWFQ-IAGOWNOFSA-N 309.369 3.196 0 40 DGAB CC[C@@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 84734723 NNYKVZOJDVMCQT-UONOGXRCSA-N 304.419 3.096 0 40 DGAB CC(C)c1nnc(CN2C(=O)c3cccc4cccc2c34)n1C 95462981 LFQGOIXHGRMUKW-UHFFFAOYSA-N 306.369 3.252 0 40 DGAB C[C@@H](Cc1cccc(Br)c1)NC1CCN(C)CC1 95419524 VWZLMFVLPZDYEH-LBPRGKRZSA-N 311.267 3.064 0 40 DGAB COc1ccc([C@H](C)NC[C@](C)(O)c2ccc(C)o2)cc1F 95423189 BHDWSRDIUFGQGF-SJCJKPOMSA-N 307.365 3.294 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NC/C=C/c1ccccc1 95402520 BIXNSERVGIJITQ-AWHANYKDSA-N 312.457 3.327 0 40 DGAB Cc1ccc(C)c(OC2CCN([C@@H]3CCCC[C@H]3O)CC2)c1 95975616 BZUJULODEPSJMM-QZTJIDSGSA-N 303.446 3.450 0 40 DGAB COC(=O)c1c(C2CC2)csc1NC(=O)c1scnc1C 79055396 OCWHUDKIWHIWIT-UHFFFAOYSA-N 322.411 3.429 0 40 DGAB COCCCn1cnnc1S[C@@H]1CCc2ccc(F)cc21 79001378 FEBFHFZGUZQIHG-CQSZACIVSA-N 307.394 3.233 0 40 DGAB COc1cc(N[C@H]2CCCN(C(=O)CC(C)C)C2)cc(OC)c1 79111536 PFFWACDHWRTITC-AWEZNQCLSA-N 320.433 3.153 0 40 DGAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1cccc(Cl)c1 217721183 BOSZZQDLQMJXGI-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(NCCOc1ccc(F)cc1)N1CCc2sccc2C1 28996182 OOTGUOGPTLZQPE-UHFFFAOYSA-N 320.389 3.034 0 40 DGAB CCc1noc(-c2ccc(NC(=O)COc3ccccc3)cc2)n1 64580050 FVIZSXGUUBMRJM-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2ccc(N3CCCC3)nc2)c1 31314181 RDYMPQWOSSILRI-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB CCOC(=O)N[C@@H](CNC(=O)c1ccc(C)cc1C)CC(C)C 31705089 VHFRPVQGJMCRBT-OAHLLOKOSA-N 320.433 3.194 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1C 78403840 AJOPIBMJNMVVSE-GFCCVEGCSA-N 316.426 3.461 0 40 DGAB CCOC(=O)c1cnc2c(C(F)(F)F)cccc2c1N(C)C 40169761 LQZIYDVZFBAYQL-UHFFFAOYSA-N 312.291 3.496 0 40 DGAB COc1cnccc1[C@@H](C)NC(=O)N[C@H](C)c1cc(C)oc1C 186788425 ZYRDWQDFWXUUJW-VXGBXAGGSA-N 317.389 3.421 0 40 DGAB Cc1cc(N)cc(Cl)c1NC(=O)c1ccc2c(c1)OCO2 227147431 YVVOBCVJCYCDPA-UHFFFAOYSA-N 304.733 3.212 0 40 DGAB Cc1ccc2[nH]cc(CCC(=O)OCCOc3cccnc3)c2c1 80293268 QHEAQKMHIHMCNX-UHFFFAOYSA-N 324.380 3.426 0 40 DGAB Cc1cnccc1N1CCC(C(=O)N2CC(C(C)(C)C)C2)CC1 571380192 ZIUZRKONSWSXEU-UHFFFAOYSA-N 315.461 3.111 0 40 DGAB CNC(=O)c1ccccc1-c1ncc(-c2cccc(OC)c2)o1 224896803 PULBQCBICYTOKG-UHFFFAOYSA-N 308.337 3.377 0 40 DGAB CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)c(C)c1 224644478 AMXUZWVPTJKJIO-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB COc1cccc(C[C@H](Oc2ccccc2Cl)C(=O)O)c1 225098990 AJMQVQDSZHVKID-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)c1 81639338 MGYPUTYOFXCNOM-CABCVRRESA-N 315.413 3.376 0 40 DGAB C[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1F)c1nccs1 96439958 WXOWDFIZQJMHHF-MNOVXSKESA-N 323.393 3.110 0 40 DGAB Cc1nc(C)c(CN[C@H](C)CC(=O)N2CCCCCC2)s1 96478496 LGFJYQLDGLIJPJ-GFCCVEGCSA-N 309.479 3.031 0 40 DGAB O=C1N(CC2CC2)c2ccccc2[C@@]12CCN(Cc1ccoc1)C2 96100318 JRQPZYCEMMICLQ-FQEVSTJZSA-N 322.408 3.180 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)CC[S@](C)=O)cc2)cc1 95448735 PALFFZPHUJTBGD-JOCHJYFZSA-N 317.410 3.494 0 40 DGAB Cc1ccc(OCCc2nnc(NC(=O)C(C)C)s2)cc1 95116380 GKIQRLCRVTUEAL-UHFFFAOYSA-N 305.403 3.063 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NCC[S@](=O)C(C)(C)C 96477875 FKYSUXFBXZWCKH-LAJNKCICSA-N 324.515 3.364 0 40 DGAB Cc1ncsc1C(=O)OC[C@@H]1CCN(c2ccccc2)C1 96442391 CACCGVWXFCGLJH-CYBMUJFWSA-N 302.399 3.135 0 40 DGAB C[C@@H](CN[C@@H](C)c1cccc2ccccc12)CS(C)(=O)=O 96490750 ALHBPOGDAOMIGP-KBPBESRZSA-N 305.443 3.171 0 40 DGAB CCS(=O)(=O)c1ccccc1N[C@H](C1CC1)[C@@H]1CCCCO1 585091254 BBEZWPLTYSFYDK-DOTOQJQBSA-N 323.458 3.240 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251216289 LKLAZQTUPPBQSF-PYTWLRIVSA-N 303.402 3.157 0 40 DGAB CC(C)n1nccc1CN1CCC[C@H]1c1ccnc(N(C)C)c1 257292437 QLLYDAMQLVHAQW-KRWDZBQOSA-N 313.449 3.262 0 40 DGAB O=C(O)c1cc2c(Br)cccc2nc1OCC1CC1 685937050 JCMZYCAOYNWSTL-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB CCc1sc(C(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1C 54660634 KBMKAJYJYJMMGE-GFCCVEGCSA-N 319.430 3.330 0 40 DGAB CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)c1cccnc1 71903194 PWBDAKFISPZALW-INIZCTEOSA-N 304.415 3.099 0 40 DGAB C[C@@H]1Cc2ccc(O)c3c2[C@@H](C1)O[C@@]31OCc2c(O)cccc21 1772591541 DUGITLZTNWBCLB-HDMZQJPESA-N 310.349 3.483 0 40 DGAB CCCSc1nc2ccc(NC(=O)/C=C/C(=O)O)cc2s1 1573700 OFSGXTWZAYZXMC-AATRIKPKSA-N 322.411 3.378 0 40 DGAB CC[C@H](NC(=O)[C@H](C)n1cc(Cl)cn1)c1ccc(OC)cc1 19500458 IMQGXVFOGKUMAE-NHYWBVRUSA-N 321.808 3.374 0 40 DGAB Cc1c(-c2cncn2CC(=O)NC(C)(C)C)[nH]c2ccccc12 19719634 OXYDWOJGXSBKOW-UHFFFAOYSA-N 310.401 3.255 0 40 DGAB O=C(NCCC1=CCCCC1)c1cnc(-c2ccccc2)[nH]c1=O 19937180 KSXSZWZMYVOMRJ-UHFFFAOYSA-N 323.396 3.057 0 40 DGAB COc1cccc(OC)c1/C=C1/N=C(c2ccccc2)OC1=O 1698473 IXNWRNTXFCHKJM-SDNWHVSQSA-N 309.321 3.048 0 40 DGAB CCNC(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 106608376 ATLNGFGKCZHEPG-UHFFFAOYSA-N 324.211 3.418 0 40 DGAB COc1cc2c(cc1OC)[C@@H](CCc1c(C)noc1C)NCC2 12337066 YLRGSKMTUSMEON-MRXNPFEDSA-N 316.401 3.128 0 40 DGAB FC(F)(F)c1cc(N2CC(Cn3cc(Cl)cn3)C2)ccn1 1889095434 CYJTYURMGATKRR-UHFFFAOYSA-N 316.714 3.087 0 40 DGAB Cc1cc(OC2CN(C(=O)c3ccc(Cl)s3)C2)ccn1 1889136281 NUOSCOLDIUDJSZ-UHFFFAOYSA-N 308.790 3.008 0 40 DGAB C[C@H]1CCc2sc(NC(=O)C3CCCCC3)c(C(N)=O)c2C1 5920801 CYXQWYGJLCZZBR-JTQLQIEISA-N 320.458 3.491 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)no1 9204328 NWQAJGCAIYNJIY-UHFFFAOYSA-N 313.338 3.251 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 30863723 YEAVURXBDSYICH-TXEJJXNPSA-N 319.430 3.235 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 40462037 LCAQXOLPJLQRMG-LBPRGKRZSA-N 300.324 3.167 0 40 DGAB Cc1cc(C(=O)N2CC(=O)Nc3ccccc32)c2ccccc2n1 40460006 PPCCXJYGXGDNDA-UHFFFAOYSA-N 317.348 3.142 0 40 DGAB O=C(O)[C@H]1[C@@H]2C[C@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 100941189 BZYPJYMCKWWCSL-IAOVAPTHSA-N 323.348 3.024 0 40 DGAB O=C(C(c1ccccc1)c1ccccc1)N1[C@H]2CC[C@H]1CC(O)C2 101179116 FPCHYNVZGDFKKW-ROUUACIJSA-N 321.420 3.333 0 40 DGAB COc1cc(OC)c(NC(=O)c2cc(C(C)=O)c[nH]2)cc1Cl 11604115 XPDDPHCRCDEWCS-UHFFFAOYSA-N 322.748 3.140 0 40 DGAB C[C@@H](CNc1ccccc1SCC(N)=O)c1ccccc1 37071796 XQZJXPFCYOQBOA-ZDUSSCGKSA-N 300.427 3.480 0 40 DGAB CCNCc1cc(Br)c(OCC)c(OCC)c1 8227127 PBGQMPWCARJYKR-UHFFFAOYSA-N 302.212 3.356 0 40 DGAB CCOc1ccc(CN(C)C(=O)NCCCOCC(C)C)cc1 32802175 RNMIWHKWVSECJQ-UHFFFAOYSA-N 322.449 3.289 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 102445121 YYAJZBDJQVJNEZ-IHRRRGAJSA-N 316.401 3.418 0 40 DGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccoc1 33053434 FUZPPLPOZLKMGX-UHFFFAOYSA-N 319.382 3.248 0 40 DGAB Cc1c(Cl)ccc(S(=O)(=O)Nc2ccncc2)c1Cl 863573 RMDATIZJEHOZIH-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB COc1ccccc1C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 1088559 AXUGOKFRYJOWGL-GOEBONIOSA-N 303.402 3.117 0 40 DGAB biogenic,in-vitro CN(C)[C@@H](CNc1ncnc2sccc12)c1cccs1 54771837 ZDYMMBVFXYTRKS-NSHDSACASA-N 304.444 3.468 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc(-n2ccnc2)nc1 1385351 PTFHFIOEEJJJLG-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB O=C(/C=C/c1ccccn1)Nc1cccc(Oc2ncccn2)c1 55303710 OTIRCANTJQDOID-CMDGGOBGSA-N 318.336 3.316 0 40 DGAB Cc1nc(-c2cc(C)n(CC(=O)N[C@@H](C)C3CC3)c2C)cs1 25595375 AJIXSIBJOPWDMD-NSHDSACASA-N 317.458 3.452 0 40 DGAB C[C@@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CCO1 24014487 LOZOPECOZMAPSX-OAHLLOKOSA-N 310.397 3.160 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2 20431813 MESDOEONUOJGPI-UHFFFAOYSA-N 302.399 3.018 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 1961857 PVROTYLLNXWSJZ-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 22524877 WXMZFHGTOROXKA-OAHLLOKOSA-N 317.316 3.320 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)c3ccco3)cc2)C[C@H](C)O1 58193283 MYQJQNCIKNFVEP-STQMWFEESA-N 300.358 3.146 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1 27582226 KHZBWPAWLTXRRG-HNNXBMFYSA-N 300.427 3.315 0 40 DGAB CC(C)N1C[C@H](Nc2ncc(C(F)(F)F)cc2Cl)CC1=O 58231515 PDDHEPJFMSOWCE-SECBINFHSA-N 321.730 3.175 0 40 DGAB COc1ccc(NCCC(=O)N(Cc2ccco2)C2CC2)cc1 58378321 AOSKDGANMQWHQR-UHFFFAOYSA-N 314.385 3.281 0 40 DGAB O=C(CCCOC(=O)c1ccc2c(c1)OCO2)c1ccccc1 3322227 QEEHBFSGWXXHIF-UHFFFAOYSA-N 312.321 3.235 0 40 DGAB O=C1S[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1 2308273 AGFQESIYERTOLH-CYBMUJFWSA-N 302.330 3.464 0 40 DGAB CSc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1 3368686 YWJSIYXLNQQMNO-UHFFFAOYSA-N 321.423 3.412 0 40 DGAB C[C@@H](NC(=O)CN(C)Cc1ccco1)c1ccccc1Cl 12754169 DIGDWUNBBXXOCK-GFCCVEGCSA-N 306.793 3.242 0 40 DGAB CN(Cc1cccc(Cl)c1Cl)c1ncccc1C(N)=O 12983212 SFQAYMLCUXRRFU-UHFFFAOYSA-N 310.184 3.124 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1 12979881 NJIPPAAMJUIVMO-IBGZPJMESA-N 321.424 3.130 0 40 DGAB Cc1noc(C)c1C(=O)OCC(=O)c1cc(C)n(C2CC2)c1C 3564977 ROXBNWJRMDTEBO-UHFFFAOYSA-N 316.357 3.084 0 40 DGAB Cc1cccc(C)c1OCCOc1cccc2c1NC(=O)CO2 91601105 FFRXYBSSMLBFJV-UHFFFAOYSA-N 313.353 3.092 0 40 DGAB CC[C@@H](Nc1ccc(OC)c(Cl)c1)C(=O)Nc1cc(C)on1 14019212 PFAXGJQMNZXWSM-GFCCVEGCSA-N 323.780 3.474 0 40 DGAB CSc1ccc(CN(C)C(=O)c2ccc3c(c2)OCO3)cc1 14077856 BNRFGJSYXUXPKP-UHFFFAOYSA-N 315.394 3.409 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)Cc1cn2ccsc2n1 8778620 NBWXQTRBODBRQQ-JTQLQIEISA-N 317.439 3.146 0 40 DGAB Cc1cc(C)n(C(=O)Cc2nnc(-c3ccc(C)c(C)c3)o2)n1 67172659 PWXBQPWGDNOYBM-UHFFFAOYSA-N 310.357 3.050 0 40 DGAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc2ccccc2c1 5938573 QOKJOSLPRZGOQT-NSHDSACASA-N 312.398 3.088 0 40 DGAB FC(F)COc1ccc(CN2CCC(c3cc[nH]n3)CC2)cc1 92810734 BLTMMBKGWGICGT-UHFFFAOYSA-N 321.371 3.433 0 40 DGAB COc1cccc(CC(=O)Nc2ccccc2N2CCCC2)c1 15951976 JSCOQLMZWXEAQV-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB CCCCc1nnc(NC(=O)COc2ccccc2F)s1 7800251 NSIVOKAEPYUKND-UHFFFAOYSA-N 309.366 3.037 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)[nH]c2c1 71797052 DTWFESVQINGQPF-KRWDZBQOSA-N 308.385 3.187 0 40 DGAB O=C(c1sccc1Br)N(CC(F)F)C1CC1 71883506 WRVNQJWNKKCDBV-UHFFFAOYSA-N 310.163 3.380 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)c2c(C)noc2C)n1 72232442 LHAFYGOOIRMRHL-LBPRGKRZSA-N 305.403 3.424 0 40 DGAB C[C@@H](c1nc(-c2cccnc2)no1)N1CCC(n2cccc2)CC1 71904292 JYUBWVWWEDUCBF-AWEZNQCLSA-N 323.400 3.331 0 40 DGAB C[C@H]1SCCN(C(=O)c2ccc(-c3cnco3)cc2)[C@@H]1C 71911085 DMOBUAUORPACCB-VXGBXAGGSA-N 302.399 3.308 0 40 DGAB C[C@H](CC1CCOCC1)Nc1ccccc1O[C@H]1CCOC1 97037975 FPHOXZJQPITFDG-ZBFHGGJFSA-N 305.418 3.471 0 40 DGAB CO[C@@H](C)c1nc(Cn2c([C@@H](C)O)nc3ccccc32)cs1 97082435 INULWCYHPFOHGJ-MNOVXSKESA-N 317.414 3.302 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)CC[C@@H]1CCOC1 97145691 VYBZCMLQCCTPIN-ZBFHGGJFSA-N 317.429 3.048 0 40 DGAB CCCS(=O)(=O)N(Cc1ccc(O)cc1)C1CCCCC1 95399835 FKFGPNABVMKWER-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cccc3[nH]ccc23)[C@H](CC)C1 89949061 HACAQIDAPGULLZ-PBHICJAKSA-N 313.445 3.295 0 40 DGAB Cc1ncc(C(=O)N2CCSc3ccc(Cl)cc32)c(C)n1 95464269 WKEYSRGGRNHXMX-UHFFFAOYSA-N 319.817 3.499 0 40 DGAB COc1ccc([C@@H](C)NC[C@@](C)(O)c2cccs2)c(OC)c1 95422996 FUJLKBRMWQBHGC-SJKOYZFVSA-N 321.442 3.324 0 40 DGAB Cc1cc(Cl)c(C(=O)NCC(C)(C)N2CCCCC2)cn1 89575534 RAPJWSCMQZMESW-UHFFFAOYSA-N 309.841 3.038 0 40 DGAB O=C1CC2(CCCCC2)C(=O)N1Cc1ccc2ncccc2c1 546020116 ABYUUIZNKLNLQS-UHFFFAOYSA-N 308.381 3.444 0 40 DGAB C[C@@H](CNC(=O)CCc1ccsc1)N1CCc2ccccc21 33056235 NETIPVLRSWZOFE-AWEZNQCLSA-N 314.454 3.248 0 40 DGAB CCNC(=O)[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1ccccc1 79452419 KOTXXBRGRMSNKF-OCCSQVGLSA-N 306.406 3.025 0 40 DGAB CC(=O)OCC(C)(C)CC(=O)N[C@]1(c2ccccc2)CC1(C)C 1557663004 VSLJFWXMIDXUJL-IBGZPJMESA-N 317.429 3.407 0 40 DGAB Cn1c(=O)oc2cc(Cl)c(C(=O)Nc3ccccc3)cc21 30835690 RXRLPOMGUZEXEV-UHFFFAOYSA-N 302.717 3.037 0 40 DGAB CC[C@H]1CCCN(C(C)(C)CNC(=O)CCc2ccccn2)C1 78916822 JETUIAFHTPIGSK-INIZCTEOSA-N 317.477 3.031 0 40 DGAB CN(Cc1nc2ccccc2n1C)[C@H](CCO)c1ccccc1 72772791 CIMAKNAEUHHCDR-QGZVFWFLSA-N 309.413 3.129 0 40 DGAB S=C(Nc1ccc2c(c1)OCO2)NC1(C2CC2)CCCC1 225852267 POPZCSPSYPUGBI-UHFFFAOYSA-N 304.415 3.425 0 40 DGAB O=C(NCCCN1CCc2ccccc21)NC1CCCCC1 225756537 VYOIXHIJKPEJTJ-UHFFFAOYSA-N 301.434 3.071 0 40 DGAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2C)no1 225816646 FKYJSXYQGAEESO-CYBMUJFWSA-N 301.390 3.282 0 40 DGAB CCOc1ccc(C(=O)NCCCN2CCCCC2)cc1Cl 225763760 LSRDKAXVYQGTOS-UHFFFAOYSA-N 324.852 3.345 0 40 DGAB CC(C)C[C@@H](C(=O)NCc1nc2ccccc2[nH]1)n1cccc1 575444518 QZDFFXQSVNDGJK-INIZCTEOSA-N 310.401 3.268 0 40 DGAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2)nc1 225784490 DMPZLTILGWGZRM-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB CCC(CC)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225801409 NHHNTTHGMKXZDF-UHFFFAOYSA-N 305.447 3.288 0 40 DGAB COc1cc(C)c([S@](=O)Cc2cnc(C)s2)cc1OC 83080169 SBOUWHBSSRVIFC-FQEVSTJZSA-N 311.428 3.085 0 40 DGAB Cc1cc(N)cc(Cl)c1NC(=O)COc1ccccc1F 227145519 SRYAUIAMQWXUDO-UHFFFAOYSA-N 308.740 3.387 0 40 DGAB Cn1cccc1CN1CCC2(CC1)CCN(Cc1ccoc1)C2 96062856 HDTVGTFJVMLJIC-UHFFFAOYSA-N 313.445 3.106 0 40 DGAB COC(=O)NCCCC(=O)N1CCCCC[C@@H]1c1ccc(C)o1 96414190 DKOGGNSJRIIGGC-CQSZACIVSA-N 322.405 3.168 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@]2(c3ccccc3)CCC(=O)NC2)c1 578515357 BEIYGMQSFHGXTR-FQEVSTJZSA-N 322.408 3.090 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 95915153 GDSVYESFMBJGLS-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cn1cc(-c2nc(C[S@](=O)CC3CCCCC3)cs2)cn1 96403881 DXRIHKDMMWNGIT-NRFANRHFSA-N 323.487 3.373 0 40 DGAB CCc1cc(Br)cc2c3nnc(S)nc3n(C)c12 96319348 GSALBWQRGDLKQT-UHFFFAOYSA-N 323.219 3.130 0 40 DGAB CC(C)Oc1ccccc1CNC(=O)N(C)Cc1cccnc1 95394357 RTQLYKDLDKSTPT-UHFFFAOYSA-N 313.401 3.210 0 40 DGAB Cc1cc(CN2Cc3ncc(C)n3C[C@H]2c2ccccc2)no1 257278067 OAQXTWMUVGQHLI-KRWDZBQOSA-N 308.385 3.245 0 40 DGAB Cn1nccc1CN1CCC(C)(c2ncc(Cl)s2)CC1 257307739 TTWTZOPULKCDAK-UHFFFAOYSA-N 310.854 3.084 0 40 DGAB CC[C@H](C)NC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 252482607 DKKUWDSDYPCBJI-AWEZNQCLSA-N 315.417 3.161 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257212745 CESYCWZRINTMBY-CQSZACIVSA-N 315.442 3.185 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@@H]1C(=O)O 263554008 XYUPZOOQQNGONR-SLEUVZQESA-N 305.374 3.037 0 40 DGAB COc1ccc(F)cc1C(=O)c1cc(OC)c(OC)c(OC)c1 95916941 SGXQMLVZDHIUSJ-UHFFFAOYSA-N 320.316 3.091 0 40 DGAB CC[C@@](CNC(=O)c1ccc(OC)cc1)(OC)c1ccccc1 96391565 IQUOHITUTOODCV-IBGZPJMESA-N 313.397 3.377 0 40 DGAB CCOC(=O)c1cc(Br)c2cc(OC)ccc2n1 685936805 ALXMDMJATYGNNT-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB NC(=O)[C@@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 62239458 WYHCEYAQKMWUCU-CVEARBPZSA-N 300.789 3.144 0 40 DGAB c1ccc(-c2cnc(CN3CCC[C@H]3Cn3cccn3)o2)cc1 69893087 MOBMIMCQFLTBCS-INIZCTEOSA-N 308.385 3.203 0 40 DGAB CCN(CC)CC(=O)Nc1ccc(N(C)C)cc1C(F)(F)F 58820736 DYEOZXOSXQUGQF-UHFFFAOYSA-N 317.355 3.052 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(N2CCCC2)nc1 104723814 VMCGFUQZRRTJMS-XIRDDKMYSA-N 313.445 3.124 0 40 DGAB Cn1cccc1[C@@H]1CCCCCN1C(=O)CC1(O)CCCC1 72848706 XLRHCIPAERAWIX-INIZCTEOSA-N 304.434 3.164 0 40 DGAB CC(C)c1nc([C@H](C)NC(=O)c2ccc(C(=O)O)cc2)cs1 95969744 CAMHVAKNYMYFSC-JTQLQIEISA-N 318.398 3.456 0 40 DGAB O=C(O)Cc1cccc(NC(=O)CC2(c3ccccc3)CC2)c1 1548449094 JNBBAGZHOMTOSK-UHFFFAOYSA-N 309.365 3.374 0 40 DGAB Cc1cccc(-n2c(C)nnc2S[C@H]2CCCCC2=O)c1 5359568 HKZNMXLXWWQISC-HNNXBMFYSA-N 301.415 3.488 0 40 DGAB CC[C@@H](CN1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 12239823 QSPPFDFBIDWRDF-KRWDZBQOSA-N 318.436 3.238 0 40 DGAB CN1C(=O)S/C(=C/c2ccc(F)c(Br)c2)C1=O 6440434 CMIJSRUBBNEDGU-WEVVVXLNSA-N 316.151 3.254 0 40 DGAB O=S(=O)(c1ccc(Cl)s1)n1cnc(Cl)c1Cl 2577814 HVNNIGHEEYCEBE-UHFFFAOYSA-N 317.606 3.142 0 40 DGAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1)N1CCc2sccc2C1 10767649 KPBJKYXNDKKQAI-JTQLQIEISA-N 322.380 3.412 0 40 DGAB CCc1cnc(OC2CCN(C3Cc4ccccc4C3)CC2)nc1 1888854106 UFVHJJDDYAWJIN-UHFFFAOYSA-N 323.440 3.050 0 40 DGAB CN(C)[C@H](CNC(=O)C1CCC1)c1csc2ccccc12 1888864220 UKKJFGKPBAMVQU-OAHLLOKOSA-N 302.443 3.420 0 40 DGAB c1ccc(CN2CCN(c3ncnc4ccsc34)CC2)cc1 28619941 GHKCFDQZYGRNTK-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB CCn1ccc2c(OCC(=O)c3ccccc3)cccc2c1=O 4584101 ZTJJHXMRWOXBJJ-UHFFFAOYSA-N 307.349 3.283 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)Nc3cccs3)ccc21 22506792 LCSGQTZSNLKDOG-UHFFFAOYSA-N 301.371 3.301 0 40 DGAB O=C(NCc1cncc(-c2cncnc2)c1)c1ccc(Cl)cc1 1775967975 HLGCINWMIVSZMZ-UHFFFAOYSA-N 324.771 3.122 0 40 DGAB CCOC(=O)c1[nH]c2ccccc2c1NC(=O)C1CCCC1 2721924 GKCMQVGDCPZMKE-UHFFFAOYSA-N 300.358 3.473 0 40 DGAB C[C@H](Cc1ccoc1)NC(=O)c1cccc(Br)c1 84829356 LZMBDGGQARGUBQ-SNVBAGLBSA-N 308.175 3.403 0 40 DGAB CNC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 17445 STCDPYYJUKUPSJ-UHFFFAOYSA-N 318.376 3.381 0 40 DGAB COCCN(Cc1ccccc1)C(=O)Cc1ccccc1F 40160487 LCHOKRHZTFDQSH-UHFFFAOYSA-N 301.361 3.043 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)Cc1nnc(-c2ccccc2)o1 40465930 MMXDJNRHIQFCRM-UHFFFAOYSA-N 323.352 3.097 0 40 DGAB CCCc1noc([C@@H](C)Nc2cccc(N3CCOC3=O)c2)n1 40511419 YFFNEPPYVPKFBB-LLVKDONJSA-N 316.361 3.152 0 40 DGAB CCC[C@@H](C)NC(=O)C[C@H]1c2ccccc2C=CN1C(C)=O 51203798 PEHPPYWMBDWDDM-DYVFJYSZSA-N 300.402 3.255 0 40 DGAB CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(Cl)cc1 234902 DZBMYZNTPLRCBY-LFIBNONCSA-N 314.772 3.456 0 40 DGAB O=C(NC(=S)NCCc1ccccc1)c1cc2ccccc2o1 1000798 LDBFXXFEKWRINQ-UHFFFAOYSA-N 324.405 3.280 0 40 DGAB Fc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1F 32091250 NPTWMIKPQHDKCW-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)c3ccccc3)cc12 3911830 LFJJVQGOMLOKQS-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)N2CCCc3ccccc32)s1 20982992 RULNQFPHXWYQQU-JTQLQIEISA-N 319.455 3.307 0 40 DGAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(F)cc1F 59927557 VACCMAUPNDCNQQ-RXMQYKEDSA-N 324.278 3.142 0 40 DGAB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)cc1C 6966739 CISYBWIDXLKUDQ-LICLKQGHSA-N 323.396 3.233 0 40 DGAB Cc1occc1-c1nnc(SC/C=C/c2ccccc2)n1N 21177778 AEQYXJZJOFIHQA-VMPITWQZSA-N 312.398 3.366 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@@H]3C)cc1 32820178 FKBVCFZJBMYZCN-RYUDHWBXSA-N 324.380 3.183 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@H](C)OCC(F)(F)F 32924227 PDIIWXNHJBVLDG-QWRGUYRKSA-N 319.323 3.148 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2ccc(Cl)c(Cl)c2)no1 32929635 CRHRGLXRCVHRDP-UHFFFAOYSA-N 320.197 3.405 0 40 DGAB Cc1ccc(S(=O)(=O)NC2C3CC4CC(C3)CC2C4)cc1 2776942 IYMYRLWDUCXKDM-UHFFFAOYSA-N 305.443 3.098 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1oc2c(F)cccc2c1C 22838126 PKSSNGGWMRXTEU-UHFFFAOYSA-N 301.321 3.483 0 40 DGAB Cc1nn(CCC(=O)Nc2cnn(C(C)C)c2)c2ccccc12 57280006 RVNNSISQMIVPEB-UHFFFAOYSA-N 311.389 3.151 0 40 DGAB CCCn1nc(C(=O)Nc2ccc([C@H](C)CC)cc2)ccc1=O 23659865 NMGJWDGOFSCAKF-CYBMUJFWSA-N 313.401 3.419 0 40 DGAB CN(C(=O)c1cccc(Nc2ncccn2)c1)c1ccccc1 24482773 DXUFVXAZQSKTQL-UHFFFAOYSA-N 304.353 3.497 0 40 DGAB CCOc1ccccc1NC(=O)[C@H](C)Sc1cc(C)ncn1 1286609 DSTWXFBNDMUYSA-LBPRGKRZSA-N 317.414 3.303 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@@H]1CCCc2ccccc21 12907638 PTXWFKNFADOQRV-CRFBAAHOSA-N 323.392 3.409 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@H]1C=CCC1 8349820 WVHYDBDAEFZWRI-CABCVRRESA-N 310.401 3.143 0 40 DGAB CC1(C)C[C@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CCO1 4084356 UOTICQZRTZNIMS-CYBMUJFWSA-N 312.413 3.258 0 40 DGAB biogenic COc1ccc2c(CN3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc2c1 69442723 XLYAAQNDCQTODV-QGZVFWFLSA-N 324.380 3.467 0 40 DGAB Cc1cc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)no1 65487702 VHUYINKTKTYTOW-ZDUSSCGKSA-N 321.446 3.311 0 40 DGAB CCOc1cccc([C@H](C)NC(=O)NCc2csc(C)n2)c1 65586915 UQGWHJBQFYKIHX-NSHDSACASA-N 319.430 3.411 0 40 DGAB COc1ccc(-c2nnc(SC[C@H]3CCCO3)o2)cc1OC 14183724 MKIOFMOBGHMLHP-LLVKDONJSA-N 322.386 3.025 0 40 DGAB CCSCCC(=O)Nc1ccccc1NC1CCN(C)CC1 69808806 QAJUPUOKCWLUHR-UHFFFAOYSA-N 321.490 3.274 0 40 DGAB COc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)cc1 14265013 OAMGRRQCZYYVGJ-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OC(F)F 6589046 BCCDDNHZAIACAB-HNNXBMFYSA-N 321.279 3.118 0 40 DGAB Nc1nc(CSc2ccccc2)nc(Nc2ccccc2)n1 7370838 ZPGKZRYHKBHNPE-UHFFFAOYSA-N 309.398 3.490 0 40 DGAB Cc1ccc(CNc2nccn(-c3cccc(F)c3)c2=O)cc1 15732394 AUMDSPQOLKUXHY-UHFFFAOYSA-N 309.344 3.292 0 40 DGAB CC(C)C[C@@H]1COCCN1C(=O)c1csc(-c2ccoc2)n1 71042355 FPECAUPDLHUTFP-CYBMUJFWSA-N 320.414 3.290 0 40 DGAB O=C(c1cnc(-c2ccccc2)nc1)N1C[C@H]2CC=CC[C@@H]2C1 89851377 DZUUECLEGQREHN-HZPDHXFCSA-N 305.381 3.182 0 40 DGAB Cc1cc(O)c(-c2ccnc3c(-c4ccccc4)cnn23)c(=O)o1 71284980 OQXOEZOQRKQEJZ-UHFFFAOYSA-N 319.320 3.031 0 40 DGAB C[C@H](CNC(=O)N1C[C@H](C)c2ccccc21)CC1(C)OCCO1 89941172 AIAWORJWGGORQR-KBPBESRZSA-N 318.417 3.109 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)cc(F)c1 9544527 ODAHGVFPAAVPFE-VFZGTOFNSA-N 305.280 3.132 0 40 DGAB Cc1ccc(CC(=O)NC[C@H](c2ccco2)N2CCCC2)cc1 9502515 FHGOMACSXMYNLJ-QGZVFWFLSA-N 312.413 3.084 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)Nc3nonc3C)ccc2c1 71853303 HJYHIJLJYPDAHV-JTQLQIEISA-N 311.341 3.282 0 40 DGAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CC[C@H]1c1ccccc1 71827028 OTXQMEFLURICLZ-MSOLQXFVSA-N 321.424 3.272 0 40 DGAB Cc1nccc(CNC(=O)N2CCCC[C@@H]2Cc2ccccc2)n1 84290734 FBYRPKZXXMMWHS-GOSISDBHSA-N 324.428 3.092 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@H]1CCOC1 95434335 KMCXBIIHMLXIOW-INIZCTEOSA-N 312.369 3.176 0 40 DGAB COc1ccc([C@H](C)[C@@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 95419779 COLKJQJEDXWCCX-LBTNJELSSA-N 312.413 3.003 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95434172 WMGWEIILEGEWIQ-HOCLYGCPSA-N 316.401 3.425 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@@H](C)N2CCc3ccccc32)c1C 73556998 HZHIODOXTGJDGS-GFCCVEGCSA-N 312.413 3.386 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 78935684 YFIFLJAHKUAVNY-RBUKOAKNSA-N 324.424 3.047 0 40 DGAB O=C(O)c1cccc(CNC(=O)c2cccc(F)c2Cl)c1 95970422 PJEWLUTXQDJMAA-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB Cc1ccc(C)c([C@@H]2CCCN2c2ccc3nnc(C)n3n2)c1 89616472 PFRNBRFSJGJKRY-INIZCTEOSA-N 307.401 3.391 0 40 DGAB COc1cccc(OC)c1C(=O)Nc1ccc(F)c(F)c1F 20025484 XKMMGVZKHJXELP-UHFFFAOYSA-N 311.259 3.373 0 40 DGAB C[C@H]1CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C[C@H](C)O1 72393707 DAFJWPXEWQBGKD-UWVGGRQHSA-N 313.323 3.191 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2ccc(C(C)C)cc2)n2ncnc2n1 36619453 XAEZGGNXMVFXRV-CYBMUJFWSA-N 323.400 3.047 0 40 DGAB O=C(N=c1[nH]cc[nH]1)c1ccc2ccn(Cc3ccccc3)c2c1 72402442 XMJORVRQZJEUEV-UHFFFAOYSA-N 316.364 3.087 0 40 DGAB Cc1ccccc1[C@H]1C[C@@H](C)N(c2ccc3nnc(C)n3n2)C1 77984000 IZHSIHFROKBQDE-HIFRSBDPSA-N 307.401 3.124 0 40 DGAB COc1ccccc1C(=O)NCC(c1ccco1)c1ccco1 670477608 PQANEZLCFNICGU-UHFFFAOYSA-N 311.337 3.443 0 40 DGAB C[C@@H](NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 80634857 ULXGVDVKHUOYBH-CYBMUJFWSA-N 310.357 3.026 0 40 DGAB Cc1ccc2oc(CCC(=O)NCCOc3ccccc3)nc2c1 224946471 LEDJGVXIVSGZLL-UHFFFAOYSA-N 324.380 3.264 0 40 DGAB COCCOc1ccc(SCc2cn3cccnc3n2)cc1 225444413 KJRJLGXSBPUCPK-UHFFFAOYSA-N 315.398 3.047 0 40 DGAB C[C@H](O)CCN[C@@H](C)c1nc2cc(C(F)(F)F)ccc2n1C 195553586 LUSGTYRQXSEEKN-UWVGGRQHSA-N 315.339 3.014 0 40 DGAB Nc1ncccc1-c1nc(-c2cccc(C(F)(F)F)c2)no1 89263314 TYUIXBCVPJNKLL-UHFFFAOYSA-N 306.247 3.400 0 40 DGAB CC[C@@H](C)N1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 96254186 CXDBEVBUMKMSCT-GFCCVEGCSA-N 303.454 3.028 0 40 DGAB CN(Cc1cnccn1)C(=O)Nc1ccccc1SC(F)F 96410596 CWUFNXJQMPCTDD-UHFFFAOYSA-N 324.356 3.455 0 40 DGAB CSc1ccc(/C=C/C(=O)NC[C@@](C)(O)c2ccco2)cc1 81836352 LTCYCELCUBDIKP-PYUISTEWSA-N 317.410 3.039 0 40 DGAB C[S@](=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 96426983 JEEVYFOSWMAEJN-BSDIHXDHSA-N 303.358 3.215 0 40 DGAB O=C(CCc1ccncc1)NCc1ccccc1OCC1CC1 96417158 VBZYNVRYIHSDSC-UHFFFAOYSA-N 310.397 3.119 0 40 DGAB CCCC1(O)CCN(Cc2cnc([C@H]3CCCO3)s2)CC1 585084716 YXRYPCFGWCIBLB-CQSZACIVSA-N 310.463 3.122 0 40 DGAB Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245239736 BDHQHVKEOGPBOF-YTGMWSOZSA-N 303.446 3.149 0 40 DGAB Cc1cc2cc(C(=O)N3CCO[C@@H](c4ccncc4)C3)ccc2o1 257307256 SXWVMSVFDHNLOB-GOSISDBHSA-N 322.364 3.350 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@@H](O)c2cn(C)c3ccccc23)c1 96096411 TYXYBLSUIBACIQ-LJQANCHMSA-N 322.408 3.259 0 40 DGAB Cc1nn(CCNC(=O)c2ccoc2)c(C)c1-c1cccs1 575613004 RVHBVYLNCGVZEK-UHFFFAOYSA-N 315.398 3.251 0 40 DGAB CN(CC1CCNCC1)C(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1 1524112035 BZBAJQGHHSXCAV-VQTJNVASSA-N 322.452 3.401 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@H]1CN1CCCC1 58019064 OBZAMLPPWFNKJP-HNNXBMFYSA-N 307.825 3.432 0 40 DGAB Cc1nc(C2CCN(C(=O)NCCC3=CCCCC3)CC2)no1 69655739 OVASFYKYATYVCI-UHFFFAOYSA-N 318.421 3.158 0 40 DGAB CSCCc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 69684958 FGNDQDSFMKQIQD-STQMWFEESA-N 308.447 3.233 0 40 DGAB O=C(c1ccc(Br)o1)N1CCC2(CC1)CC2(F)F 405081652 GPUFMJPTFRXTNM-UHFFFAOYSA-N 320.133 3.304 0 40 DGAB CC(=O)N1CCCN(CCc2cc(Cl)cc(Cl)c2)CC1 194380843 BYHXYPJRDUBMFV-UHFFFAOYSA-N 315.244 3.090 0 40 DGAB O=C(Nc1ccc(Cl)cc1Br)[C@@H]1CCOC1 95418895 YNPNAISKGSIKBV-SSDOTTSWSA-N 304.571 3.078 0 40 DGAB CN(CCc1ccccn1)C(=O)c1ccccc1Br 12694204 XAVYXNRHPDVFDT-UHFFFAOYSA-N 319.202 3.159 0 40 DGAB Cc1cccc(OCCN(C)[C@H](C)C(=O)NC2CCCCC2)c1 12785107 HQCYTEYSNKNLBP-MRXNPFEDSA-N 318.461 3.143 0 40 DGAB O=C(Cc1csc(-c2cccs2)n1)Nc1cccnc1 15826739 ZQSVOCLFCMVHIJ-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CC(C)(C)OC(=O)N1CCc2[nH]nc(Nc3ccccc3)c2C1 19083237 CQKMRGMRPCAFPG-UHFFFAOYSA-N 314.389 3.447 0 40 DGAB O=C(/C=C/c1nc2ccccc2s1)OCC(=O)c1ccc[nH]1 6165804 XAFLRZFDYWRQSA-BQYQJAHWSA-N 312.350 3.064 0 40 DGAB CCc1ccccc1N1C(=O)/C(=C\c2cccc(O)c2)NC1=S 7336561 PYRKXKUJBZJJLH-RVDMUPIBSA-N 324.405 3.217 0 40 DGAB O=C(O)[C@@H]1CCCCN1Cc1ccc(Cl)c2cccnc12 154710605 DTVAXQAZBLDNCC-AWEZNQCLSA-N 304.777 3.327 0 40 DGAB CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@@H]3C2)cc1 253403375 PTDMRSHXOPZQEL-BRWVUGGUSA-N 317.429 3.050 0 40 DGAB Cc1ccccc1CN1C(=O)[C@H](C)N(c2ccc(F)cc2)C1=O 10685004 RCCOXXQUEHDXCQ-ZDUSSCGKSA-N 312.344 3.491 0 40 DGAB COc1cccc(-c2cc3c(=O)n(CC=C(C)C)ccn3n2)c1 1888913792 XAURJUIMQJFEEZ-UHFFFAOYSA-N 309.369 3.138 0 40 DGAB O=C(Cc1cccc2ccccc12)Nc1nnc(-c2ccno2)o1 12234507 CSTZAGCWWPCPGQ-UHFFFAOYSA-N 320.308 3.059 0 40 DGAB Cc1cc(C(=O)/N=c2/sc3cc(C(C)C)ccc3n2C)no1 101025835 GNBGFTAYGIXXGW-WUKNDPDISA-N 315.398 3.401 0 40 DGAB CCc1nc(NC(=O)Cc2ccc(OC)cc2OC)sc1C 40118991 HUHMNTPGSOOLLC-UHFFFAOYSA-N 320.414 3.212 0 40 DGAB Cc1ncc(-c2nnnn2-c2ccccc2)c(-c2ccccc2)n1 3125844 SJSDKIBRWPDOPO-UHFFFAOYSA-N 314.352 3.095 0 40 DGAB CCCCc1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 3148477 CKIVKNUOWKXSFY-UHFFFAOYSA-N 310.397 3.284 0 40 DGAB CCCn1c(=S)[nH]c2nc(N3CCC(C)CC3)sc2c1=O 101416298 OYSSCIOYXDPKSK-UHFFFAOYSA-N 324.475 3.162 0 40 DGAB O=C(/C=C/c1ccccc1OC(F)F)NCCc1ccccn1 32657320 XASAGSDUFATCTJ-CMDGGOBGSA-N 318.323 3.055 0 40 DGAB CCn1c([C@@H](NC(=O)c2ccc(F)cc2)C(C)C)n[nH]c1=S 6451385 QJNQJIDRMFLGBB-LBPRGKRZSA-N 322.409 3.227 0 40 DGAB C[C@H]1CCc2onc(C(=O)NCc3ccc(Cl)cc3)c2C1 7000150 WTFSVBXXTKMDEX-JTQLQIEISA-N 304.777 3.383 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1ccc(C)c(C)c1 7842542 KAWQRTBYQMSTIQ-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB Cc1nccn1Cc1cccc(CNC(=O)[C@H]2CC=CCC2)c1 29670588 TYGFHPDMAWMEBO-SFHVURJKSA-N 309.413 3.212 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)c1 69442353 JWBRLOSPNQXMHD-HNNXBMFYSA-N 301.390 3.187 0 40 DGAB O=C(NC1CCCC1)c1cc2nc(C3CC3)cc(C(F)F)n2n1 2775024 VPVPVUQKTKDCLV-UHFFFAOYSA-N 320.343 3.217 0 40 DGAB COc1ccc(C(=O)Oc2cccc(C)c2F)c(OC)c1OC 96002219 MDKRUCAATQZTHT-UHFFFAOYSA-N 320.316 3.379 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Oc2ccccc2)sc1C(=O)O 37404775 OAMXVBXPWKWNSV-JTQLQIEISA-N 305.355 3.161 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCNC(=O)C1CCCC1)C2 106062289 LETVHQBZFJREKX-DOXZYTNZSA-N 320.477 3.014 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)cc1C 24756029 STMSGGBZPKGGMP-UHFFFAOYSA-N 317.433 3.264 0 40 DGAB COCCOc1cc(NC(=O)c2cc(C)oc2C)ccc1OC 24936705 HQXAIGAJBDZTHJ-UHFFFAOYSA-N 319.357 3.183 0 40 DGAB CC(C)N(CCC(=O)O)C(=O)c1cc2c(F)cccc2s1 37585506 SKLYGESJRRUPKV-UHFFFAOYSA-N 309.362 3.366 0 40 DGAB COC(=O)C[C@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 113721135 RIHNYKFQUWABML-LBPRGKRZSA-N 313.781 3.469 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCO[C@@H]2CCC[C@H]21 56194081 DCENOQOADHXSSE-HUUCEWRRSA-N 304.777 3.215 0 40 DGAB FC(F)(F)Cn1ccnc1CSc1nccn1C1CC1 57747335 WJNYPCTXGNYRJP-UHFFFAOYSA-N 302.325 3.269 0 40 DGAB CC[C@H](S[C@H](C)c1nc(-c2ccccc2C)no1)C(N)=O 89941846 KRYALCSNDKYLTO-PWSUYJOCSA-N 305.403 3.103 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c1 58007185 PNIAXQCCLWCZEW-XNJGSVPQSA-N 302.418 3.385 0 40 DGAB Cc1cccn2cc(CC(=O)Nc3nc(C4CC4)cs3)nc12 58246046 BVYRSVMBBBFDFP-UHFFFAOYSA-N 312.398 3.158 0 40 DGAB C[C@H](NC(=O)c1cccs1)c1nc(-c2ccc(F)cc2)no1 58269018 OABWESFXFCZZDT-VIFPVBQESA-N 317.345 3.428 0 40 DGAB O=C(CN1CCC[C@@H]1c1ccccc1)NCc1ccc(F)cc1 10339682 CBUUGUSRWFJIRE-GOSISDBHSA-N 312.388 3.279 0 40 DGAB CCN(CC)S(=O)(=O)c1cc(C)c(Br)cc1C 27824318 BILJFMDGGTWYBJ-UHFFFAOYSA-N 320.252 3.096 0 40 DGAB CC[C@@H](C)N(C)CCNC(=O)Nc1nc2ccccc2s1 58306653 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CCc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1OC 8714837 DQGHLUJGAAXZLX-IUODEOHRSA-N 311.447 3.115 0 40 DGAB O=c1cc(N2CCCCC2)nc2scc(-c3ccccc3)n12 6811693 CVKHFRPPPGOHDF-UHFFFAOYSA-N 311.410 3.413 0 40 DGAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 5917584 AJWWTMYUEAVSKQ-SECBINFHSA-N 308.447 3.347 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 7400906 YJHLASWLSPPDPA-INIZCTEOSA-N 309.365 3.278 0 40 DGAB CCOc1ccc(CC(=O)N[C@@H]2CCc3ccccc3C2)cc1 69318500 YPJGAXOAVCCYHW-GOSISDBHSA-N 309.409 3.302 0 40 DGAB CCN(C(=O)[C@@H]1CC(=O)Nc2ccccc21)c1ccccc1C 71796200 AUBLKWHSKIIIEB-OAHLLOKOSA-N 308.381 3.474 0 40 DGAB Cc1cccc(C[S@@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)c1 71858886 WWINDQSDCWMLQA-NYHFZMIOSA-N 315.438 3.295 0 40 DGAB CCOc1cc(Cl)ccc1C(=O)Nc1ccc2nncn2c1 97048458 FERFLWVOGXQRKL-UHFFFAOYSA-N 316.748 3.034 0 40 DGAB COCCN[C@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 97036975 GBUNUYVUVSKARC-YGRLFVJLSA-N 304.217 3.307 0 40 DGAB Cc1cc(Cn2ccnc2-c2cncc(Br)c2)no1 97085729 RQEDPAXXGWPDLX-UHFFFAOYSA-N 319.162 3.052 0 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WAYIDSXJQGPRPI-YUMQZZPRSA-N 319.630 3.298 0 40 DGAB COc1ccc2cc(C(=O)Nc3ccccc3C)c(=O)oc2c1 5125669 BCXQTWCOIFPTRZ-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCn1/c(=N\C(=O)c2ccccc2OC)sc2ccccc21 12180881 ZSBSWCZETRMRLM-ISLYRVAYSA-N 312.394 3.472 0 40 DGAB Cn1cc([C@H]2CCCCCN2C(=O)c2ccc(F)cc2)cn1 12232532 RRAVXYJXUQUGPK-MRXNPFEDSA-N 301.365 3.317 0 40 DGAB Cn1ncc2c1CCCN(C(=O)c1ccccc1C(F)(F)F)C2 19289665 HHZSADOEFKJAQQ-UHFFFAOYSA-N 323.318 3.028 0 40 DGAB Cc1noc(-c2c[nH]nc2[C@@H]2CCCCN2C(=O)C2CC2)c1C 19557839 ABUMZUJGBPWNNQ-AWEZNQCLSA-N 314.389 3.145 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)CSC1CCCC1 225597341 UVDRTPHVULSFIO-CYBMUJFWSA-N 319.470 3.345 0 40 DGAB O=C(CSc1ncnc2ccccc12)NCc1ccccc1 3351894 AHNNKWXUZVXIBB-UHFFFAOYSA-N 309.394 3.038 0 40 DGAB Cc1ccc(C)c(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)c1 5154399 YUBAUPFNDKFJSY-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB COc1ccccc1OC[C@@H](O)CNC(C)(C)CC(C)(C)C 8844750 FSLXSHRYGLEZQH-AWEZNQCLSA-N 309.450 3.239 0 40 DGAB Cc1cc2cc(NC(=O)c3cnn(-c4ccccc4)n3)ccc2[nH]1 40072690 MJBNEEVNJGVPJM-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)CNc1ccc2c(c1)CCO2 40071590 SLEQEZWFRKCJMS-OAHLLOKOSA-N 324.424 3.171 0 40 DGAB CN1C(=O)[C@@H](C(=O)Nc2cccc(Cl)c2)c2ccccc21 20031781 VCHDNJBAORWSJK-CQSZACIVSA-N 300.745 3.039 0 40 DGAB CCc1cc(=O)n2c3ccccc3n(Cc3ccccc3F)c2n1 40485140 LEUVBTCMBAJCNU-UHFFFAOYSA-N 321.355 3.399 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)[C@H](C)c2ccccc2F)cs1 40514092 DLPZJXGWTMRAMA-SECBINFHSA-N 321.377 3.074 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccc(C(N)=O)cc1 81330 MJKSWAXYIIPRPI-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB Cc1ccc(C(=O)OCCCn2c(=O)[nH]c3ccccc32)c(C)c1 7979861 BDZWHAVQPMSUQH-UHFFFAOYSA-N 324.380 3.194 0 40 DGAB CC(C)(C)C(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 558535 YDRSWGGUJDDIRZ-UHFFFAOYSA-N 319.430 3.118 0 40 DGAB Cc1ccc2c(c1)nnn2C1CCN(C(=O)c2ccccc2)CC1 1380719 FKOMFFJYBLEAFH-UHFFFAOYSA-N 320.396 3.217 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1c1ccc(OC(F)(F)F)cc1 101340627 XNVOFGMGIUDPPE-TXEJJXNPSA-N 311.259 3.041 0 40 DGAB COc1ccccc1CNC(=O)CCCOc1ccc(C)cc1 3606677 TVHGFLPIMXAJCB-UHFFFAOYSA-N 313.397 3.479 0 40 DGAB CN(Cc1ccc(Cl)s1)C(=O)c1cccc(NC(N)=O)c1 20911210 JBGVOSTWRGEDHM-UHFFFAOYSA-N 323.805 3.164 0 40 DGAB COC(=O)c1ccc2nc(NC(=S)NC(C)(C)C)sc2c1 6615221 IGXOJGUYSQXZEE-UHFFFAOYSA-N 323.443 3.168 0 40 DGAB COc1cccc(C(=O)OCc2nc(-c3cccs3)no2)c1 7120825 DJJYNEWHGBUVPU-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB COc1ccc(CC(=O)NC23CC4CC(CC(C4)C2)C3)cc1F 7917859 HKEJATHBZLETEQ-UHFFFAOYSA-N 317.404 3.462 0 40 DGAB CCCNC(=O)c1cc(C)nc2c1cnn2Cc1ccc(C)cc1 32784573 SGILVDMIIRNRQE-UHFFFAOYSA-N 322.412 3.236 0 40 DGAB Cn1ncc2c(N3CCC[C@H]3c3cccc(Cl)c3)ncnc21 52448557 CDZALSMFOBVABU-AWEZNQCLSA-N 313.792 3.358 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cnc3c(c2)c(C)nn3C)c(C)c1 32899746 PYAYCSKUFMHCJJ-UHFFFAOYSA-N 322.412 3.166 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)CCc1nc(C(C)(C)C)no1 32940388 PCWNTUAVWXDAKZ-LBPRGKRZSA-N 313.401 3.278 0 40 DGAB O=C(NC(=O)C(F)(F)F)NC(c1ccccc1)c1ccccc1 509884 ONTLIIPHMCJTBJ-UHFFFAOYSA-N 322.286 3.164 0 40 DGAB Cc1cc(Br)ccc1NCC(=O)N1CCCCC1 57364273 ZQJRZEMWVNLKHZ-UHFFFAOYSA-N 311.223 3.182 0 40 DGAB CSc1ncccc1C(=O)Nc1ccc(NC(C)=O)cc1 515902 NZLKGGGLRLUVJF-UHFFFAOYSA-N 301.371 3.014 0 40 DGAB O=c1c2ccccc2cnn1-c1cccc(Br)c1 24002769 FRJUFOHSZKYCFB-UHFFFAOYSA-N 301.143 3.148 0 40 DGAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccccc1Cl 43210853 JKPBLYDSZACPQS-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB O=C(NCc1cc(-c2ccc(Cl)cc2)no1)C(F)(F)F 1393819 RWSTXBAYSOHEKN-UHFFFAOYSA-N 304.655 3.174 0 40 DGAB COc1ccc(CC(=O)Nc2nc(C3CC3)cs2)cc1OC 25560528 BTNBRUTXYJTPJP-UHFFFAOYSA-N 318.398 3.219 0 40 DGAB O=C(NCCCn1cccn1)c1ccc2c(c1)Cc1ccccc1-2 24773104 RWJCKILYZWUEOV-UHFFFAOYSA-N 317.392 3.274 0 40 DGAB O=C(O)[C@@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 35296756 RPMAYBQDRBKEKF-SNVBAGLBSA-N 318.200 3.169 0 40 DGAB Cc1ccc(C)c(-n2nnnc2SCc2nc(C)c(C)o2)c1 58160905 RUQVFHSGQOVJIQ-UHFFFAOYSA-N 315.402 3.176 0 40 DGAB Cc1ccc([C@@H](NC(=O)CCN2CCSC2=O)C2CC2)cc1 58196224 JWYOFIJYOLXHIN-MRXNPFEDSA-N 318.442 3.121 0 40 DGAB COCC[C@@H](C)NC(=O)c1cc(Br)ccc1Cl 58174804 WFXODGDORWANLC-MRVPVSSYSA-N 320.614 3.257 0 40 DGAB O=C(Cc1ccccc1F)NC1CCN(CC2CCCC2)CC1 58266008 WISSINAAYJLTKL-UHFFFAOYSA-N 318.436 3.139 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCCO1 44910443 HLSKJVRIIXVMRU-KOLCDFICSA-N 302.827 3.110 0 40 DGAB COc1cccnc1NC(=O)[C@H](C)Oc1ccccc1Cl 58323096 HRNSRMQTEGELQJ-JTQLQIEISA-N 306.749 3.150 0 40 DGAB CCOc1ccc(C(=O)Oc2ccc(-c3nnco3)cc2)cc1 36393178 IFTLFZPAQSZBPI-UHFFFAOYSA-N 310.309 3.355 0 40 DGAB CCCc1nc(Cn2ncc(Cl)c(Cl)c2=O)cs1 48354519 CHNWSVJHOAQBQU-UHFFFAOYSA-N 304.202 3.007 0 40 DGAB CN(C(=O)CCn1cncn1)c1ccc(Oc2ccccc2)cc1 69368129 RXQXDAFEXBSAGB-UHFFFAOYSA-N 322.368 3.124 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1c(F)cccc1F 3445607 XVEXDUFVZHQVCU-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB CC[C@@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2C)CCO1 69568862 KODXOBTVZZIUCZ-CQSZACIVSA-N 316.426 3.370 0 40 DGAB COc1ccc(C=O)cc1COc1ccc(C(C)=O)cc1OC 6159072 AQECLKWCZSRNED-UHFFFAOYSA-N 314.337 3.298 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccccc1Cl 6436428 QUCKVVHRXSAMMN-IUODEOHRSA-N 322.836 3.155 0 40 DGAB CC(=O)N1C[C@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 5529490 NRDMIEMDHPNDSD-AWEZNQCLSA-N 308.381 3.222 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3ccncc3)C2)c1 62555845 TZTIDDGJWQRNCJ-INIZCTEOSA-N 310.397 3.321 0 40 DGAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1c(F)cccc1F 8708861 BCICJCFQXXXWBS-VIFPVBQESA-N 322.277 3.178 0 40 DGAB COc1cccc(N2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)c1 5818433 UZCWFEGYCDVIRL-CYBMUJFWSA-N 321.380 3.400 0 40 DGAB C[C@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)O 5880854 ORHGLKNUJMIPHV-LURJTMIESA-N 318.276 3.321 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)[C@H](C)CSC 80471490 BNUVJVGIIQHATA-GHMZBOCLSA-N 314.426 3.288 0 40 DGAB Cn1cc(NC(=O)Nc2ccc(Cl)c(OC(F)F)c2)cn1 96003127 XHPXDTXWJGQZOG-UHFFFAOYSA-N 316.695 3.319 0 40 DGAB CCCCSCCC(=O)N[C@H]1COc2cc(F)cc(F)c21 96010263 ITXVZYJTRYQHJR-LBPRGKRZSA-N 315.385 3.438 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)no1 96001109 GLSIDYDLJFLTQL-LBPRGKRZSA-N 320.780 3.184 0 40 DGAB Cc1ncc(CNC(=O)NCC2(c3cccc(F)c3)CC2)s1 96417685 KYRDPNBHZLMIPA-UHFFFAOYSA-N 319.405 3.122 0 40 DGAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1nccs1 71879739 NBKWLFDPRHZBPP-AVGNSLFASA-N 311.451 3.099 0 40 DGAB CCc1ccc([C@@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(C)(C)C)o1 72285198 FDBHGJKWZVNEPO-GOEBONIOSA-N 320.433 3.056 0 40 DGAB CCNC(=O)N1CCC[C@H]1c1nc(-c2ccccc2F)c[nH]1 97014528 TWYVVQAXHVBRPO-AWEZNQCLSA-N 302.353 3.082 0 40 DGAB C[C@@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCC1=O 89920205 ISDTVTLGNQZKTK-QAPCUYQASA-N 313.441 3.473 0 40 DGAB Cc1nc(NC(=O)N(C)Cc2ccco2)ccc1Br 97143632 RLEISZARONVAHS-UHFFFAOYSA-N 324.178 3.409 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)c1cc(=O)[nH]c2ccccc12 72324698 JHNDQAGNIIQDKU-UHFFFAOYSA-N 303.321 3.262 0 40 DGAB biogenic CCn1cc(C2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)cn1 97203650 JOPLDIUBMTWIFV-LBPRGKRZSA-N 315.421 3.104 0 40 DGAB C[C@H](CCc1cccc(F)c1)N1CCC(c2nncn2C)CC1 97370754 DBFLXMRLQMLZCK-CQSZACIVSA-N 316.424 3.155 0 40 DGAB Cc1ncsc1CCN1CCC[C@@H]1c1noc(C2CC2)n1 76047516 HBNRWWIMOYLOFN-GFCCVEGCSA-N 304.419 3.092 0 40 DGAB Cc1n[nH]cc1CNc1cccc(CNC(=O)OC(C)(C)C)c1 95428803 NHMDVBGYKHEQEM-UHFFFAOYSA-N 316.405 3.355 0 40 DGAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccccc1Cl 95469829 WEKFQJHANOZUGR-LLVKDONJSA-N 304.777 3.271 0 40 DGAB O=C(c1cscn1)N1CCCCC[C@H]1C[C@H](O)c1ccco1 95418207 FWXLOIZBFIRVIF-JSGCOSHPSA-N 320.414 3.245 0 40 DGAB O=C(c1cc2ccccc2cc1O)N1CCC[C@H](N2CCCC2)C1 73108298 UVKPEAJIVZZUCE-KRWDZBQOSA-N 324.424 3.246 0 40 DGAB Cc1cccc(N2CCN(Cc3nccn3C(F)F)CC2)c1C 73135927 XMEQXUITOHHGPZ-UHFFFAOYSA-N 320.387 3.217 0 40 DGAB CCNC(=O)N[C@H](c1ccccc1OC(F)F)C(F)(F)F 95994628 VHANLQKMVVEUHX-SECBINFHSA-N 312.238 3.211 0 40 DGAB COc1cc([C@H](C)NC(=O)NCc2cccc(C)n2)ccc1F 95980054 JHHNIIIUIKILLX-LBPRGKRZSA-N 317.364 3.098 0 40 DGAB C[S@@](=O)c1ccc(CNc2ncnc3ccc(F)cc23)cc1 79026559 AOXLNAMOCAETMO-QFIPXVFZSA-N 315.373 3.118 0 40 DGAB COc1ccc(OC)c2sc(NCc3ccccn3)nc12 75172878 ABMUNUSXKYUURV-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(-c2cnco2)cc1 79105922 OCXHEHOEGNDMFW-GFCCVEGCSA-N 324.336 3.326 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@H](C)n2ccnc2)[C@H]1c1ccccc1 110601727 GECUFRDUQANWNT-OFQRWUPVSA-N 315.442 3.149 0 40 DGAB O=C(O)c1cccc(CSc2nnc(-c3ccccn3)o2)c1 33758524 YHPAFUXDRUUAKE-UHFFFAOYSA-N 313.338 3.122 0 40 DGAB Cc1ccc(SC[C@@H]2CSc3nc(=O)cc(C)n32)cc1 36724539 WCYXFCYHSHNNDZ-GFCCVEGCSA-N 304.440 3.299 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1 72378972 JSUGAPCTYAEKMZ-QGZVFWFLSA-N 315.804 3.404 0 40 DGAB COc1ccccc1C(=O)c1cc2cccc(OC)c2oc1=O 71289406 TYADQGXDFBIFDD-UHFFFAOYSA-N 310.305 3.041 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(C[S@@](C)=O)c1 79360889 PWAAZJPKSJFXMX-NRFANRHFSA-N 301.411 3.055 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)C2CC2)C1 48344995 ZHYQKOTZIHOVNG-GJZGRUSLSA-N 300.446 3.191 0 40 DGAB COc1ccc(CC(=O)N2CCCC[C@@H]2c2cccnc2)cc1 225419024 YSHARLAKBBOPTE-GOSISDBHSA-N 310.397 3.387 0 40 DGAB biogenic CC(C)N1CCC(NC[C@H]2CCN(C)c3ccccc32)CC1 195558871 PSYNUADUVJZVEL-MRXNPFEDSA-N 301.478 3.073 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)NCc1cccs1 42646689 CFDNVJDVZGUVSN-UHFFFAOYSA-N 302.399 3.126 0 40 DGAB COc1ccc(Br)cc1Cc1ccc(C(=O)O)o1 84222671 NNBUAVGDUVDCOW-UHFFFAOYSA-N 311.131 3.340 0 40 DGAB CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CC 224073727 YYCUMNAEZMLOIU-KRWDZBQOSA-N 318.461 3.163 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2N[C@@H](c1ccccc1)c1ccccn1 195553783 JMQNIDIKBXNMOO-MSOLQXFVSA-N 319.412 3.196 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2)c1C 44625021 AMFNTHJMJKOEMB-UHFFFAOYSA-N 301.317 3.102 0 40 DGAB CC(=O)c1ccc(S(C)(=O)=O)c(NCCC2=CCCC2)c1 195557978 FTLWEAHAVIXWAN-UHFFFAOYSA-N 307.415 3.205 0 40 DGAB CSc1ccc(N2CCC(Oc3ccc(F)cc3)CC2)nn1 81000215 XFEPLRMNTLJUGH-UHFFFAOYSA-N 319.405 3.385 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1cccnc1 96412200 TXSCASQGTGOAJV-ABAIWWIYSA-N 304.777 3.241 0 40 DGAB O=C(O)C1(c2cc(Br)cc(Br)c2)CC1 238693933 KWCMNTJFFRCTRC-UHFFFAOYSA-N 319.980 3.328 0 40 DGAB COC(=O)CCCC(=O)c1cc(Br)ccc1F 82726870 QNJDQABVHNKXAU-UHFFFAOYSA-N 303.127 3.114 0 40 DGAB O=C(Nc1cccc(COC2CCCCC2)c1)N1CC[C@@H](O)C1 97371533 KGDQBFZIDNOTIN-MRXNPFEDSA-N 318.417 3.134 0 40 DGAB Cn1nccc1CNc1cccc(-c2ccc3c(c2)CCO3)n1 97094816 HZJQCQSDMYIDOY-UHFFFAOYSA-N 306.369 3.029 0 40 DGAB Cc1noc(C)c1-c1ccc(OC[C@@H]2CCNC(=O)CC2)cc1 584103199 LWKPAEJHNYCGDE-AWEZNQCLSA-N 314.385 3.254 0 40 DGAB Cc1nc(CN2CCC[C@@H](c3ccnc(N(C)C)c3)C2)cs1 257254959 KFMOHDQZSNKOMM-OAHLLOKOSA-N 316.474 3.292 0 40 DGAB O=C(O)CN1C[C@H]2CCC[C@H](Cc3cccc(Cl)c3)[C@H]2C1 257309772 UCHZYXKHOPOIBP-IIAWOOMASA-N 307.821 3.315 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)c2ccc(F)c(F)c2)c(C)o1 85561324 WTYZMHOZHISNHQ-HNNXBMFYSA-N 309.312 3.028 0 40 DGAB Cc1csc([C@H](C)CNc2ncc(Br)cn2)n1 273294349 KZGJEEHPKLRPDN-SSDOTTSWSA-N 313.224 3.220 0 40 DGAB Cc1nnc([C@H]2CCN(Cc3ccc(-c4ccccn4)cc3)C2)o1 49169268 RAFPKVXZWYZCSQ-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB biogenic,in-vitro Cc1noc([C@H](C)Sc2nnc(Cc3cccc(F)c3)o2)n1 67753938 ZKHSSYLCMRSZPX-QMMMGPOBSA-N 320.349 3.344 0 40 DGAB Cc1nn(C)c(C)c1CN[C@H]1CCN(c2cccc(Cl)c2)C1 95990138 UOVXMLIUFUHOAB-HNNXBMFYSA-N 318.852 3.059 0 40 DGAB CC(C)(C)c1[nH]c2ncccc2c1CN1CCC[C@@H](CO)C1 12219882 WWQKBIWAJIGZDD-CYBMUJFWSA-N 301.434 3.065 0 40 DGAB Cc1cc(C)cc(CN(C)S(=O)(=O)c2ccc(F)cc2)c1 12768999 VQMIYOSOBYZMGD-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccc(F)cc1 13083491 PGIMRQYQUXGNEI-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 19815875 NOEWMQAPQGHRFC-SNVBAGLBSA-N 319.744 3.444 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)ncn2C 163012918 WAHUXALTGVGISI-AWEZNQCLSA-N 307.397 3.324 0 40 DGAB COc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1Cl 5676021 IQGRULWXWBTZMX-UHFFFAOYSA-N 309.156 3.318 0 40 DGAB Cc1ccc2nc(N3CCC[C@H](NC(=O)C4CC4)C3)sc2c1 1889116972 LJLYYBMSMJCJCX-ZDUSSCGKSA-N 315.442 3.100 0 40 DGAB CC(=O)Nc1ccc(OC(=O)[C@H](C)Oc2cccc(F)c2)cc1 24753019 IZXAOPOCEOMOSG-NSHDSACASA-N 317.316 3.157 0 40 DGAB C[C@H]1CN(C(=O)c2cc3cccc(Br)c3o2)CCO1 33229683 PUGCQAXVPZTLPT-VIFPVBQESA-N 324.174 3.056 0 40 DGAB Cc1nc(C(=O)N[C@H](C)c2cccc(Br)c2)co1 22538542 IOAAVTZFUZKZLK-MRVPVSSYSA-N 309.163 3.237 0 40 DGAB COC(=O)c1cc(-c2ccc(Br)cc2F)on1 260040534 CFKQRRBNVJBMND-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB Cc1ccc(NC(=O)c2ccc(OC(=S)N(C)C)cc2)cc1 34673 FSBDAAKAFYIGAI-UHFFFAOYSA-N 314.410 3.473 0 40 DGAB CCCCCOc1ccc(NC(=O)C(=O)NCCC(C)C)cc1 3085164 XSXUVAREXRYUCV-UHFFFAOYSA-N 320.433 3.356 0 40 DGAB CCOC(=O)C[C@H](C(=O)OCC)c1c(C)[nH]c2ccccc12 4093745 KELBHUNNZFYPRI-ZDUSSCGKSA-N 303.358 3.076 0 40 DGAB Nc1nc2c(c(NC(=O)Nc3cccc(Cl)c3)n1)CCCC2 11024102 XLMADKOYRVNACG-UHFFFAOYSA-N 317.780 3.235 0 40 DGAB COc1cccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)c1OC 4588654 UHBJVPXATSSKMC-PTNGSMBKSA-N 323.348 3.357 0 40 DGAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccc(F)cc2)o1 40152247 JFTXUZJQOZGGKZ-UHFFFAOYSA-N 319.380 3.323 0 40 DGAB CCOCc1ccccc1CNC(=O)c1cc(C2CC2)on1 30508372 PEDBVTZFPYZRFK-UHFFFAOYSA-N 300.358 3.019 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCn4c3nc3ccccc34)cc2c1 30662167 JURJDZDFCGRSLE-UHFFFAOYSA-N 316.364 3.486 0 40 DGAB O=C(NCCNc1ncccc1C(F)(F)F)c1ccsc1 40555194 HYXVUCIILZOVAN-UHFFFAOYSA-N 315.320 3.004 0 40 DGAB O=C(CSCc1ccccc1)Nc1cccnc1-n1cccn1 31951063 AYGVWMVBDRYVFM-UHFFFAOYSA-N 324.409 3.139 0 40 DGAB O=C1CC[C@@](c2ccccc2)([C@]2(c3ccccc3)CCC(=O)O2)O1 1728686 LZSPGROMWQQYPU-WOJBJXKFSA-N 322.360 3.451 0 40 DGAB C[C@@H](CN1CCCC1)OC(=O)c1ccc(Br)cc1 210698 FTGYIFWMHPWALZ-NSHDSACASA-N 312.207 3.090 0 40 DGAB CCOC(=O)Cc1c(C)nc2cc(-c3ccccc3)nn2c1C 208586 IWGORGYWQUPMNF-UHFFFAOYSA-N 309.369 3.119 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)Cc2csc(-c3ccccn3)n2)C1 29515075 HVIPVWOFXDMJCF-CHWSQXEVSA-N 315.442 3.252 0 40 DGAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1ccc(F)c(F)c1 8187830 BUNYGXSEUMBLAI-CHWSQXEVSA-N 308.372 3.415 0 40 DGAB C[C@H]1C[C@H](C)CN(C[C@H](O)COCc2ccc(Cl)cc2)C1 3865258 KSBZZJRLSSHLLD-ZQIUZPCESA-N 311.853 3.195 0 40 DGAB C[C@@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 4250105 KTMQFEXZNPLSNX-CYBMUJFWSA-N 322.364 3.160 0 40 DGAB COc1ccc2oc3c(c2c1)NC(=O)CN=C3c1ccccc1 380839 TVMRUIKOSLPSKE-UHFFFAOYSA-N 306.321 3.231 0 40 DGAB Cc1ccc2oc(=O)c(-c3nc(-c4cccnc4)no3)cc2c1 6867986 PCGYKCACMUYZFC-UHFFFAOYSA-N 305.293 3.213 0 40 DGAB O=C(COC(=O)CCC1CCCC1)Nc1ccc(Cl)cn1 2623125 CFPAPTHPFYHAJT-UHFFFAOYSA-N 310.781 3.187 0 40 DGAB Cc1cccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 408716 FBVMEXKJRKVQRJ-IAGOWNOFSA-N 306.365 3.165 0 40 DGAB biogenic CCC(C)=C1[C@@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]21 100773080 AFCXYLNPPATXIV-IYVPYFHTSA-N 311.356 3.474 0 40 DGAB COCCc1ncc(CNC2(c3ccc(Cl)cc3)CC2)cn1 57823138 QULDFUHSGDXSMF-UHFFFAOYSA-N 317.820 3.098 0 40 DGAB CN(C)C(=O)c1cccnc1Oc1cccc(Br)c1 60605767 VKZBRRXPCFWBAQ-UHFFFAOYSA-N 321.174 3.338 0 40 DGAB CCCC(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1 546822 OTPXMEDQNCWPQX-UHFFFAOYSA-N 322.459 3.494 0 40 DGAB aggregator CSc1nc2sc3c(c2c2nncn12)C[C@H](C(C)C)OC3 547408 HHZQISQHLUTQDA-SECBINFHSA-N 320.443 3.158 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 580017 LYNBXZYYLXXOMH-HNNXBMFYSA-N 313.353 3.254 0 40 DGAB Cc1ccc(NC(=O)N(C)C[C@@H]2COc3ccccc3O2)cc1 46703941 PXNGAHLGRSIMBI-OAHLLOKOSA-N 312.369 3.299 0 40 DGAB COc1cc(S(=O)(=O)N2CCc3ccccc32)c(C)cc1C 16780316 VKIGMXQNPQPCQY-UHFFFAOYSA-N 317.410 3.063 0 40 DGAB O=C(O)[C@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 20282951 GPMRWWDIUGJBIG-DDTOSNHZSA-N 307.777 3.198 0 40 DGAB CC[C@@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 24020469 CJMCDLPXVAOGNU-CQSZACIVSA-N 322.364 3.045 0 40 DGAB C[C@H]1CCCN(C[C@H](C)NC(=O)C(F)(F)c2ccccc2)C1 106529560 BTMDDCNPVWZPLY-KBPBESRZSA-N 310.388 3.015 0 40 DGAB S=c1n(CN(Cc2ccncc2)C2CC2)cc2ccccn12 12543576 NFLKITSJABXLSX-UHFFFAOYSA-N 310.426 3.487 0 40 DGAB O=S1(=O)N=C(Sc2nc3ccccc3o2)c2ccccc21 1586999 YBKRSLIBNIADDB-UHFFFAOYSA-N 316.363 3.069 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N3CCO[C@H]4CCC[C@H]43)cc2c1 56193926 WNYWMFCWRZPSTL-MSOLQXFVSA-N 310.397 3.245 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)c1cc2ccccc2c(=O)[nH]1)C1CC1 56183040 GAYXXVGCFMYSJE-LBPRGKRZSA-N 322.364 3.487 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2csnn2)cc1 56271195 QRHWZCVUEMOGCR-HNNXBMFYSA-N 317.414 3.304 0 40 DGAB COc1cc(F)ccc1NC(=O)NCCCN1CCC(C)CC1 44235939 REOHUVXYRPWKBC-UHFFFAOYSA-N 323.412 3.078 0 40 DGAB CCn1c(CN(C)C(=O)c2cc(Cl)c[nH]2)nc2ccccc21 58223321 ZBVOKRLPYUFHOJ-UHFFFAOYSA-N 316.792 3.310 0 40 DGAB COCCOCCC(=O)N[C@@H](C)c1ccc2ccccc2c1 58210714 VTLOCPNZWVXYIC-AWEZNQCLSA-N 301.386 3.070 0 40 DGAB COc1ccc(NC(=O)NCCCCNc2ccccn2)cc1 58245562 HSNJAWCRPJQMFG-UHFFFAOYSA-N 314.389 3.104 0 40 DGAB CN(C(=O)c1ccc2c(O)[nH]c(=S)nc2c1)C1CCCCC1 58431924 QFCBLRYCLVHOTD-UHFFFAOYSA-N 317.414 3.403 0 40 DGAB CC1=NN(c2ccc(C(=O)N[C@H](C)c3ccccn3)cc2)CC1 58402024 XBCXHFQIZYGJOE-CQSZACIVSA-N 308.385 3.159 0 40 DGAB CC1(C)Cc2nc3oc4c(N5CCCC5)ncnc4c3cc2CO1 2365751 HPPRDJGPULJXHN-UHFFFAOYSA-N 324.384 3.223 0 40 DGAB O=C(CCOc1ccccc1)Nc1ccc(NC(=O)C2CC2)cc1 10925674 IQDFTGRBXFBSQX-UHFFFAOYSA-N 324.380 3.443 0 40 DGAB C[C@@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCO2 10959778 XZOVQGYTQZWXEW-GFCCVEGCSA-N 320.348 3.455 0 40 DGAB CC(C)c1cccc(NC(=O)c2ccc(CNC(N)=O)cc2)c1 12929735 REPCYTUEZYOYCY-UHFFFAOYSA-N 311.385 3.231 0 40 DGAB O=C(CC(C1CC1)C1CC1)N1CCCC[C@@H]1Cn1cccn1 70018326 UEPJANYTTNXUSN-MRXNPFEDSA-N 301.434 3.091 0 40 DGAB O=C(COc1cccc(F)c1)N1CCSc2ccccc21 12973981 DAKXENVDIBKKJE-UHFFFAOYSA-N 303.358 3.343 0 40 DGAB O=C(CN1CCSC1=O)Nc1ccc(SC(F)F)cc1 12928875 UCUVIEVTOOEWQM-UHFFFAOYSA-N 318.370 3.109 0 40 DGAB Fc1cccc(CN(Cc2nc(-c3ccccn3)no2)C2CC2)c1 70011866 NJWIZGJXNMAKID-UHFFFAOYSA-N 324.359 3.435 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)c1ccc2c(c1)OCCO2 65000986 TXUUFIYEPWLVIC-UHFFFAOYSA-N 315.373 3.104 0 40 DGAB CCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)(C)C 5163239 QTQCGKNJMBAPLP-UHFFFAOYSA-N 300.402 3.374 0 40 DGAB CC(C)[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccs1 65411608 MKRAMZIFYVJWQD-CQSZACIVSA-N 306.435 3.020 0 40 DGAB Cc1cc(NC(=O)N2CCC(C(=O)c3ccccc3)CC2)no1 65521334 HUOAFRFZMMDXJV-UHFFFAOYSA-N 313.357 3.110 0 40 DGAB COCc1cccc(C(=O)N[C@H]2C[C@@H]2c2ccccc2OC)c1 69517649 JVNAZWNMRPWFJT-SJORKVTESA-N 311.381 3.128 0 40 DGAB Cc1ccc2c(c1)S[C@@H](C(=O)Nc1ccc3c(c1)OCO3)C2 14180371 QDLGLONCYHFKHF-MRXNPFEDSA-N 313.378 3.379 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COc2ncnc3ccccc23)c1C 6602006 XIWHWGPGLIFFKT-UHFFFAOYSA-N 323.352 3.039 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)Cc1ccc(C)cc1 7070940 DSYSEVXDUUUXKB-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB CC(=O)Nc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)s1 8772635 UWPGNKAETKAOBE-UHFFFAOYSA-N 303.339 3.128 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 7785350 OXXQVRRKZVQWAO-SWLSCSKDSA-N 305.422 3.222 0 40 DGAB C[C@@H](NCC1(C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 90772784 QQGJJQYKUNFXEX-CYBMUJFWSA-N 300.402 3.484 0 40 DGAB Cc1nc(CN[C@H](C)CC(=O)N(C)c2ccccc2)c(C)s1 90888730 DUNGKWXLHFSLPK-GFCCVEGCSA-N 317.458 3.291 0 40 DGAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)Nc1ccccc1F 7946968 CQUBRROEXQPGGS-ZHACJKMWSA-N 322.343 3.117 0 40 DGAB Cc1nnc(NC(=O)Cc2csc(-c3ccsc3)n2)s1 19202860 WLPRHNPOKMSZPY-UHFFFAOYSA-N 322.440 3.213 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@H]2C(C)(C)O)c2ncccc2c1 96496570 KABUECVIFNQVAX-HNNXBMFYSA-N 313.401 3.310 0 40 DGAB Cc1ccccc1OCCCNC(=O)Cc1c(C)noc1Cl 71847803 HRZRSIAGOMHNDB-UHFFFAOYSA-N 322.792 3.073 0 40 DGAB Cc1cccnc1[C@H](NC(=O)COCc1ccccc1)C(C)C 71908536 QOVLDNQOQOEDGF-GOSISDBHSA-N 312.413 3.420 0 40 DGAB CCN1CCC(N(C)Cc2ncc(-c3cccs3)o2)CC1 71920920 GQXMRUAUUUWSTA-UHFFFAOYSA-N 305.447 3.319 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)[C@@H]1CCc2ccccc21 72234178 DOLCCTXZEVZWMC-QZTJIDSGSA-N 323.440 3.430 0 40 DGAB CCN(C(=O)c1cnccn1)[C@@H](Cc1ccc(C)cc1)C1CC1 72297025 IGVZNPIYOWQROC-SFHVURJKSA-N 309.413 3.268 0 40 DGAB O=C(Nc1ccnc2ccnn12)c1cc(Cl)cc2cccnc12 72273361 VHKQGEOYHQUYAM-UHFFFAOYSA-N 323.743 3.183 0 40 DGAB O=C(C[C@H]1CCCCO1)N1CC=C(c2ccccc2F)CC1 97147805 PHGPSHNUTNKYMQ-OAHLLOKOSA-N 303.377 3.401 0 40 DGAB Cc1nc(Cl)cc(NCc2cccc(NC(=O)N(C)C)c2)n1 76063539 ZPOPWPBXTDMCOU-UHFFFAOYSA-N 319.796 3.144 0 40 DGAB Cc1cc(C)c(C(=O)N[C@H](C)c2cc(C)sc2C)c(=O)[nH]1 76713651 GJMIHROBNFNGBA-LLVKDONJSA-N 304.415 3.161 0 40 DGAB Cc1ccc(-n2nnnc2NCc2cc3ccccc3o2)cc1 77305478 ULWDPOPKBAIUEI-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB CCOc1cc(C)ccc1NC(=O)CN1Cc2ccccc2C1 84805007 FMAKXSBQVUNDBA-UHFFFAOYSA-N 310.397 3.348 0 40 DGAB O=C(NC[C@@H]1CCO[C@@H]1c1ccccc1)c1ccc2[nH]cnc2c1 98014494 NKMNNGFVYGICLX-MAUKXSAKSA-N 321.380 3.071 0 40 DGAB CC(C)c1ccc([C@H]2CCCCN2CC2(CO)COC2)cc1 95978929 MFQSLXNAOWYNFV-GOSISDBHSA-N 303.446 3.346 0 40 DGAB CSc1cc(NC(=O)NC[C@H](C)c2nccs2)ccn1 95939212 KDEHZCYKFTVAFV-VIFPVBQESA-N 308.432 3.185 0 40 DGAB CC(C)Nc1nnc(SCc2cn3ccccc3n2)s1 9921550 ADLMMJPGZRYQHF-UHFFFAOYSA-N 305.432 3.298 0 40 DGAB COc1ccccc1C[C@@H](C)CC(=O)Nc1nnc(C)s1 75134272 BYONHTYLRXLGTE-SNVBAGLBSA-N 305.403 3.063 0 40 DGAB Cc1cc2ncc(C(=O)NCCCCc3ccccc3)c(C)n2n1 25387813 POTAPLWWCFSELR-UHFFFAOYSA-N 322.412 3.099 0 40 DGAB Cc1cc(C)c2c(n1)oc1c(=O)n(Cc3ccccc3F)cnc12 32072463 OOODNOCAMGBVAA-UHFFFAOYSA-N 323.327 3.342 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 30288009 DITAIGVGJAJQFV-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 36697620 PRGRNKZYEXRHOL-UHFFFAOYSA-N 314.341 3.012 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 38756191 FZJWRBRSQGLNNB-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB CC[C@@H](NC(=O)NCc1cccc(N(C)C)c1)c1ccncc1 73941181 RLYLJKGNHIDVAV-QGZVFWFLSA-N 312.417 3.098 0 40 DGAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 72227393 BGAQQMMWUQPCJQ-KGLIPLIRSA-N 307.180 3.409 0 40 DGAB Cc1cc(N(C)C)cc([C@H]2CCN(Cc3csc(C)n3)C2)n1 72386119 KIVLZQNQZQPKLH-AWEZNQCLSA-N 316.474 3.210 0 40 DGAB CCOC(=O)c1ccc(CNC(=O)Nc2cccc(F)c2C)o1 79817728 KMJUQUPILHOGEE-UHFFFAOYSA-N 320.320 3.226 0 40 DGAB CCc1nc(CNc2nc(C)nc3c(C)nn(CC)c23)cs1 226688098 NGXTYYOLVPQQBT-UHFFFAOYSA-N 316.434 3.094 0 40 DGAB Cc1cccc(NC(=S)NCCCN(C)c2ccccc2)n1 225749170 SDBQLMJIVSBJLH-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB CCN(CC)C(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O 225435650 ZTWKUHSWPXUUPO-JTQLQIEISA-N 306.337 3.016 0 40 DGAB biogenic,in-vitro CCOC(=O)c1ccc(NC2=CC(=O)N(c3ccccc3)C2)cc1 227163542 CUKULBWEDYFGJX-UHFFFAOYSA-N 322.364 3.206 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@@H](C3(C)OCCO3)C2)c1F 195560112 ASRAUIOHYGRUOC-CYBMUJFWSA-N 322.380 3.141 0 40 DGAB CCCCc1ccc(-c2nnc(SCC(=O)O)n2C)cc1 228928997 GKPJAKDGWDTHHD-UHFFFAOYSA-N 305.403 3.001 0 40 DGAB CCOCCCNC(=O)Nc1ccc(Br)cc1C 48300543 GEDGIYQVSPLODC-UHFFFAOYSA-N 315.211 3.306 0 40 DGAB O=C(C[C@@H]1CCCO1)NC1(c2cccc(Br)c2)CC1 96418906 VBKCUZJWCKRWGA-ZDUSSCGKSA-N 324.218 3.124 0 40 DGAB COc1ccc([C@@H](C)NCCn2ccnc2)c(Br)c1 96493333 BTQGBKKBKGUEAK-LLVKDONJSA-N 324.222 3.005 0 40 DGAB OCCC[C@@H](Nc1ncc(Br)cn1)c1ccccc1 96419508 KJCBNNRQRRDXAF-CYBMUJFWSA-N 322.206 3.165 0 40 DGAB CCCc1nc(CN2CCOC[C@H]2c2cccn2C)cs1 97379621 LHZPJTHLMIWVBV-HNNXBMFYSA-N 305.447 3.008 0 40 DGAB CCc1nc2c(s1)[C@H](N[C@H](C)Cc1cc(C)[nH]n1)CCC2 90534094 XHLYUMYGRUSXFL-ZWNOBZJWSA-N 304.463 3.335 0 40 DGAB COc1cccc2c1CCCCN2C(=O)Cc1csc(C)n1 96484068 PSIKLNQLKUVZTP-UHFFFAOYSA-N 316.426 3.372 0 40 DGAB COc1cc(F)ccc1-c1ccnc2nc(CC(C)C)nn12 95472817 GLGIWERHQYDBQW-UHFFFAOYSA-N 300.337 3.138 0 40 DGAB CC(C)(C)N(CC(N)=O)Cc1cnoc1-c1ccc(Cl)cc1 97370598 JYASYIRHEFPBOJ-UHFFFAOYSA-N 321.808 3.081 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc2cc[nH]c12 245344033 WZBQFYLEFMDEFY-CFVMTHIKSA-N 312.369 3.026 0 40 DGAB CC(C)(C)c1nc2cc(NC(=O)NCc3cocn3)ccc2o1 584906777 YCYCFIONKDIMQO-UHFFFAOYSA-N 314.345 3.435 0 40 DGAB C[C@H](CC(=O)N1CCC([C@@H](C)CO)CC1)Cc1cccc(F)c1 585090590 SGAVUNSTGOJMBE-GJZGRUSLSA-N 321.436 3.261 0 40 DGAB O=C1CC[C@]2(CCCN(Cc3cccc(F)c3)CC2)N1CCF 585100261 JDDNHNMYXSBGJQ-SFHVURJKSA-N 322.399 3.142 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(c3ccccc3)CC2)n1 44583655 VXZKVOLANGXNRQ-CQSZACIVSA-N 300.406 3.076 0 40 DGAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1nncs1 48039780 KKWZLHQVTCCGDH-VIFPVBQESA-N 313.386 3.171 0 40 DGAB CN(CCc1ccc(F)cc1)CC(=O)N1CCCCCCC1 55023470 UZRIHTYGUVKWTD-UHFFFAOYSA-N 306.425 3.093 0 40 DGAB CC(=O)N1CCC[C@@H](c2nc(Cc3ccccc3)cs2)C1 96009350 WRDLDDQPRCHNQN-OAHLLOKOSA-N 300.427 3.460 0 40 DGAB CCn1cc(-c2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)cn1 19525129 OSBXMTPHZFWWSS-UHFFFAOYSA-N 323.331 3.124 0 40 DGAB O=C(Cc1ccc(F)cc1)NCC1CCN(C2CCCC2)CC1 23127960 SGCQBCZWURSKIN-UHFFFAOYSA-N 318.436 3.139 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3cc(C)nc(C)n3)C2)n1 1888844493 ADPSWZSWSSHYMZ-MRXNPFEDSA-N 312.417 3.092 0 40 DGAB Cc1nc(C)c(C(=O)NCCCOCc2ccccc2)s1 25841457 CVKYUPRRZJURAY-UHFFFAOYSA-N 304.415 3.097 0 40 DGAB Cc1ccoc1C(=O)NC[C@H](c1cccs1)N1CCCC1 27606531 SJZWKWSGJIQIBE-CYBMUJFWSA-N 304.415 3.216 0 40 DGAB Cc1ccc(CC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 31565499 QLWGWVRLTNXRIA-HXUWFJFHSA-N 322.452 3.318 0 40 DGAB CC[C@@H]1CO[C@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 1565550427 CUSBUIVYFBHSJG-KBXCAEBGSA-N 303.402 3.035 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)COc2ccccc2-3)on1 11693205 YQECHCJBOLBRDH-UHFFFAOYSA-N 313.338 3.251 0 40 DGAB CC(C)(C)OC(=O)N1CCC(O)(c2ccc(F)c(F)c2)CC1 79033248 WWECDQPIMZIVPZ-UHFFFAOYSA-N 313.344 3.183 0 40 DGAB COc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@H]2CC(C)(C)C3)cc1 102974170 TZVKMTAZWTZMBU-DYVFJYSZSA-N 323.458 3.285 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NCc2ccc(OC(C)C)nc2)o1 40120825 BFUFBFWNHYJXIQ-CYBMUJFWSA-N 317.389 3.331 0 40 DGAB Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(C)c(C)c2)n1 182098 HGOUFOWEIFBTND-UHFFFAOYSA-N 309.373 3.345 0 40 DGAB CCCc1cc(C(=O)Cc2ccc3c(c2)OCO3)c(O)cc1O 138875 SOIFXIDUZIIFTO-UHFFFAOYSA-N 314.337 3.204 0 40 DGAB biogenic O=C(Nc1cccc(N2CCOC2=O)c1)c1ccccc1F 31927904 PFPQETSUZZOJFB-UHFFFAOYSA-N 300.289 3.035 0 40 DGAB CC[C@H](NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2 20502856 HBUFJZGUGSDTFC-IEKYFPHUSA-N 301.434 3.145 0 40 DGAB CC(C)c1ccsc1C(=O)N1CCC(c2nncn2C)CC1 69376036 RXNKEQAXYXGPBV-UHFFFAOYSA-N 318.446 3.020 0 40 DGAB Cc1ccnc(NC(=O)CN(C)Cc2ccc(Cl)s2)c1 60378142 YEDFGOLALTWZRE-UHFFFAOYSA-N 309.822 3.175 0 40 DGAB O=C(CSc1ccc(-c2ccco2)nn1)NC1CCCCC1 4357721 VXGYKBVCUAETPN-UHFFFAOYSA-N 317.414 3.278 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 367690 DINPLSZQURGVOI-UHFFFAOYSA-N 308.337 3.082 0 40 DGAB Cc1ccc(CNC(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 386873 ZTJLOMQVZURCIZ-UHFFFAOYSA-N 323.440 3.335 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)c1cn2cccnc2n1 52282092 CVHWBIRTKCIGPC-LBPRGKRZSA-N 320.352 3.309 0 40 DGAB CCOc1cc2c(cc1CNCc1cccc(O)c1)O[C@@H](C)C2 32740428 JTBIPSPFRKJBOE-ZDUSSCGKSA-N 313.397 3.404 0 40 DGAB CCc1cccc2c(C(=O)COC(=O)c3ccc(O)cc3)c[nH]c12 2663242 JXTNQLXAUDJOOA-UHFFFAOYSA-N 323.348 3.476 0 40 DGAB aggregator CCOc1ccc(CNC(=O)c2cc(OC)cc(OC)c2)cc1 10448521 AVWREEMSVRCUHX-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB Fc1ccc(C2=C[C@H](c3ccccc3F)n3nnnc3N2)cc1 101052657 MFGLCMJQOMSMDH-OAHLLOKOSA-N 311.295 3.007 0 40 DGAB CN(Cc1ccsc1)C(=O)c1cc(Cl)c2c(c1)OCO2 24384642 ZTLIQPYMIFESKV-UHFFFAOYSA-N 309.774 3.402 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)Nc2ccnn2C(C)C)c1 43010559 BEHINMQKWAAZGY-CYBMUJFWSA-N 317.389 3.016 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C[C@H](O)c1ccc(F)cc1 105895508 NQSLSQSDXKLHED-SJORKVTESA-N 317.408 3.047 0 40 DGAB NC(=O)[C@@H](c1ccsc1)c1ncc(C(F)(F)F)cc1Cl 3133896 AVBJLUPAAYMMGZ-VIFPVBQESA-N 320.723 3.433 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 12540504 LCMZMPIVVVIHNQ-LLVKDONJSA-N 322.368 3.012 0 40 DGAB c1cncc(CSc2nnc(NCc3ccco3)s2)c1 27812746 CUQUDJGRZCKXOB-UHFFFAOYSA-N 304.400 3.431 0 40 DGAB CC(C)C[C@@H](C)OCCC(=O)Nc1ccc(C(F)(F)F)nn1 96006622 IDPQHDGQBMUZHP-SNVBAGLBSA-N 319.327 3.275 0 40 DGAB CCOc1cc2c(=O)oc(-c3ccccc3F)nc2cc1OC 25605461 MXZFTWUJRFARGE-UHFFFAOYSA-N 315.300 3.401 0 40 DGAB C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCO1 26402253 PAAGKKAFQPIHJG-YJBOKZPZSA-N 316.445 3.218 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N[C@H](C)C[C@H](O)c2ccccc2)C1 108104334 ZXMHKVHDNRQCNW-BVUBDWEXSA-N 322.474 3.082 0 40 DGAB CCNC(=O)[C@@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 57867940 AQJDLFKZPQPQNH-CYBMUJFWSA-N 314.351 3.054 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)c1ccc(O)c(Cl)c1 58246870 JODPICFGPWKKSR-UHFFFAOYSA-N 303.745 3.257 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NCc1cccnc1N(C)C 44969316 JNDYDWNDXGADTN-LBPRGKRZSA-N 318.446 3.112 0 40 DGAB c1ccc2[nH]c(-c3nc[nH]c3-c3nc4ccccc4[nH]3)nc2c1 27832120 GJWZLOMKYIHMNU-UHFFFAOYSA-N 300.325 3.496 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCc1ccc2c(c1)OCO2 10409627 YIUAEERXBPPVEJ-UHFFFAOYSA-N 301.317 3.434 0 40 DGAB C[C@H]1CN(C(=O)Cc2csc(-c3ccsc3)n2)[C@@H](C)CO1 36398607 JWCHNGIDZHMLEW-QWRGUYRKSA-N 322.455 3.050 0 40 DGAB COc1cc(Nc2ncnc3sccc23)cc(OC)c1OC 3406885 GMWNVYPEXFOENZ-UHFFFAOYSA-N 317.370 3.461 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccsc1)c1ccccc1Cl 13259072 XBEDLUNPEXYLTP-LBPRGKRZSA-N 309.774 3.347 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nccn2Cc2ccccc2)c1 69967176 RSWBGCJWIALVPY-SJORKVTESA-N 323.444 3.176 0 40 DGAB Cc1sc2ncnc(S[C@@H](C)C(=O)N3CCCC3)c2c1C 6113212 XYTPQUYHBDIQKE-NSHDSACASA-N 321.471 3.411 0 40 DGAB COC(=O)c1cc(CSC(=N)N)ccc1OCCC(C)C 5150588 KTRMCWILXYBTEP-UHFFFAOYSA-N 310.419 3.025 0 40 DGAB Cc1cc(C(=O)NCCOc2ccccc2)c(C)n1C(C)C 49984533 WUXIHFMKMWQHJS-UHFFFAOYSA-N 300.402 3.495 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1ccnc(Sc2ccccn2)c1 65493627 RXBDQTOIKRXOKL-CYBMUJFWSA-N 315.398 3.135 0 40 DGAB Cc1n[nH]c(SCCOc2cccc(Br)c2)n1 14075659 NXKLEXVOYMNXOL-UHFFFAOYSA-N 314.208 3.047 0 40 DGAB C[C@H]1Sc2ccc(C(=O)N[C@H](C)c3ccco3)cc2NC1=O 14183529 ZWCFGZBVQSFILG-NXEZZACHSA-N 316.382 3.203 0 40 DGAB Cc1ccc(CNc2ccc3nnc(C(F)(F)F)n3n2)cc1 9336267 BDIVBIBXOLVLKP-UHFFFAOYSA-N 307.279 3.064 0 40 DGAB O=C(CCc1cccnc1)Nc1nc(-c2cccnc2)cs1 9368613 DZJFNHGBTSRGRO-UHFFFAOYSA-N 310.382 3.171 0 40 DGAB COc1cccc(CN(C)C(=O)c2cc(C)oc2C)c1OC 6859712 MDCKVERFSYDSLD-UHFFFAOYSA-N 303.358 3.186 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(O)c1 8917290 XUIBFITZDLVVAI-INIZCTEOSA-N 321.332 3.064 0 40 DGAB CC(C)c1nc(CN2C=Nc3ccccc3S2(=O)=O)cs1 67649987 CFVYOXUZRCBOCG-UHFFFAOYSA-N 321.427 3.131 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccnn2-c2cccc(Cl)c2)o1 81346933 VLAHPFABVNASKS-UHFFFAOYSA-N 316.748 3.383 0 40 DGAB C[C@@H](NC(=O)CNc1cc(CO)ccc1Cl)c1ccccc1 68923586 RPXLYZVNNXBYTL-GFCCVEGCSA-N 318.804 3.122 0 40 DGAB COc1ccc(CNC(=O)Cc2ccccc2Cl)cc1OC 8112094 YVWOJPHDGGMRLY-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@@H]2Cc3ccccc3O2)s1 71883130 JVKXDWPVOFSAGO-ABAIWWIYSA-N 316.426 3.283 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCc2cccs2)n1 71870044 REDAPWXBTKNWGH-HNNXBMFYSA-N 317.458 3.185 0 40 DGAB CC[C@H](Nc1ccc(Oc2ccccc2OC)cc1)C(N)=O 71902399 ZSXHXPXZSWCXJR-AWEZNQCLSA-N 300.358 3.163 0 40 DGAB CCOc1cc(C(=O)Nc2c(C)nn(C)c2C)cc2occc12 72240100 HFCKYOWHUNFMPG-UHFFFAOYSA-N 313.357 3.434 0 40 DGAB Cc1n[nH]c(C)c1CNCc1ccc(CN2CCCCC2)cc1 97159176 NJVNJZDOYRCMSL-UHFFFAOYSA-N 312.461 3.302 0 40 DGAB COc1ccc(CNC(=O)c2cccc(Cl)c2)c(OC)c1 72331431 DIVJXFUQEYDLKZ-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(CC[C@@H]1CCOC1)Nc1cc(Cl)c(O)c(Cl)c1 97379026 OXLJQAVPHWZOQB-MRVPVSSYSA-N 304.173 3.454 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@]3(CCSC3)C2)o1 95426118 SFTJXJHKFMPECX-HEHGZKQESA-N 324.446 3.003 0 40 DGAB CC(C)(C)c1cnc(SCC(=O)NCc2ccccc2)o1 95416503 DVBSORYWPAGDOU-UHFFFAOYSA-N 304.415 3.381 0 40 DGAB COc1ccc(Cl)cc1CNc1ncnc2ncccc12 95973309 VDVWPDZTYVRRRA-UHFFFAOYSA-N 300.749 3.299 0 40 DGAB O=S(=O)(CCc1ccccc1)N[C@@H]1CCCc2ccccc21 79226149 GFXQRDDDWVKOCW-GOSISDBHSA-N 315.438 3.226 0 40 DGAB CC1(C)[C@@H](OC(=O)c2ccco2)C[C@@H]1OC(=O)c1ccco1 95997346 HHEXKJOKLFEHTD-STQMWFEESA-N 304.298 3.054 0 40 DGAB Cc1cccc(CN(Cc2ccccc2)C(=O)[C@@H]2CCO[C@H]2C)n1 95983311 AQRIWMFEQCEZSH-QFBILLFUSA-N 324.424 3.344 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 89582347 NXLSNWPXICPBOX-ZFWWWQNUSA-N 321.490 3.306 0 40 DGAB O=C(COc1ccccc1)Nc1cc(-c2ccc(F)cc2)no1 27990005 UNBADUSZXBISPG-UHFFFAOYSA-N 312.300 3.498 0 40 DGAB O=C(O)c1csc(-n2nc(C(F)F)cc2-c2ccco2)n1 33435787 PIZLRPCMWHUGHS-UHFFFAOYSA-N 311.269 3.225 0 40 DGAB COc1ccc(C)cc1CCNC(=O)c1c(F)cccc1F 32744848 KILWMDOCTZUTFM-UHFFFAOYSA-N 305.324 3.254 0 40 DGAB CSc1nccc(NC[C@H]2CCCN2C(=O)OC(C)(C)C)n1 72203083 KQJZMRDNQNKIHZ-LLVKDONJSA-N 324.450 3.010 0 40 DGAB CCN(Cc1ccoc1)C(=O)c1ccccc1NC(=O)OC 79045429 TYIBEQJJRTUJRB-UHFFFAOYSA-N 302.330 3.120 0 40 DGAB CN(CCc1ccccn1)C[C@@H]1CCN(Cc2ccccc2)C1 76110293 XSJJLPIDGMSCCV-IBGZPJMESA-N 309.457 3.078 0 40 DGAB Cc1nc(NC(=O)c2cc(-c3ccccc3)nn2C)sc1C 72402932 JZCFUCHVQZCSCS-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB Cc1cc(-c2c[nH]nc2[C@@H]2CCCN2C(=O)c2ccccc2)on1 72390707 NNVHGUHWWPKMFY-HNNXBMFYSA-N 322.368 3.350 0 40 DGAB CC(=O)NC1CCC(NCC2(Sc3ccccc3)CC2)CC1 132930595 BTERUOQYMIWTSV-UHFFFAOYSA-N 318.486 3.348 0 40 DGAB CCOc1cc(C(=O)Nc2nc3c(C)cccc3s2)ncn1 225532104 FWCKQSBUHBTDES-UHFFFAOYSA-N 314.370 3.046 0 40 DGAB C[C@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccccc1 42645676 VFOGJXMNSASBAR-GFCCVEGCSA-N 316.788 3.198 0 40 DGAB OC[C@H](NCc1csc(C2CCCCC2)n1)[C@@H]1CCCOC1 574019008 NFOURCHVNATGNG-ZBFHGGJFSA-N 324.490 3.068 0 40 DGAB COc1ccc(Cn2nc(-c3ccccc3F)ccc2=O)cc1 44900795 ONDAUYYSOWULLG-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB CCCOc1ccc(C(=O)NCCOCc2ccccc2)cc1 224271892 CPIRCUBDEIECND-UHFFFAOYSA-N 313.397 3.422 0 40 DGAB C/C=C/C(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85556971 CRIXQFWYJUOQMY-NSCUHMNNSA-N 314.307 3.046 0 40 DGAB COc1ccc(NC(=O)[C@H]2CN(C)C[C@@H]2c2ccccc2)c(C)c1 226752828 OEHIHDXWQHCODQ-MSOLQXFVSA-N 324.424 3.288 0 40 DGAB COc1cc(OC)cc(C(=O)c2ccc(C3OCCO3)s2)c1 43210449 JUYXAPDSDQLRKH-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB CCOCCC1(CNC(=O)N2CCSCC[C@@H]2C)CCC1 190029021 SUGCEFAYXMSTCH-AWEZNQCLSA-N 314.495 3.120 0 40 DGAB COc1ccc(Cl)c(C(=O)O)c1NC(=O)OC(C)(C)C 199555916 GNIOMYXOAPPVKH-UHFFFAOYSA-N 301.726 3.394 0 40 DGAB CCC(CC)(CO)NC(=O)Nc1ccccc1CC(F)(F)F 83573384 RRUHWCICZYNIHZ-UHFFFAOYSA-N 318.339 3.464 0 40 DGAB C[C@H](O)CCN[C@H](c1ccc(Br)cc1)c1ccco1 195555484 KRIQRXPJVNSARC-XHDPSFHLSA-N 324.218 3.492 0 40 DGAB C[C@@H](CNC(=O)NC[C@@H](C)c1nccs1)c1ccsc1 96502688 DDHUCTVJUCDXJD-WDEREUQCSA-N 309.460 3.411 0 40 DGAB CCn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1ccco1)C2 96059927 QECFDVWFVVYXFC-MRXNPFEDSA-N 315.417 3.022 0 40 DGAB c1ccc(-n2ccc(CNc3cccc(-n4cnnc4)c3)n2)cc1 92172687 UUTPYFOIQCTIIO-UHFFFAOYSA-N 316.368 3.065 0 40 DGAB CCOCCC1(C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)CCCC1 95418450 IZLFBVFWSUDGMX-OAHLLOKOSA-N 319.449 3.103 0 40 DGAB C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 90914402 RJKKNJYGGPSMDZ-WBAXXEDZSA-N 316.470 3.034 0 40 DGAB CCc1cc(CN[C@H]2CCCOc3ccc(OC)cc32)on1 531721457 QSHYXLPOXCPWLB-INIZCTEOSA-N 302.374 3.249 0 40 DGAB CSc1cnn(-c2ccccc2)c1NC(=O)[C@H]1CCCS1 95427984 XFUNASUHMBZRTB-GFCCVEGCSA-N 319.455 3.428 0 40 DGAB CS(C)(=O)=Nc1ccc(NC(=O)CCc2ccncc2)cc1 585086030 HQACJGAKNQUXIA-UHFFFAOYSA-N 317.414 3.012 0 40 DGAB Cc1ccc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)cn1 257277572 NYMNPJAZGJPLMD-UHFFFAOYSA-N 315.442 3.349 0 40 DGAB O=C(NCCn1ccc(C(F)(F)F)n1)c1cc2ccccc2o1 96098968 QYVBEZWUCGTBJT-UHFFFAOYSA-N 323.274 3.078 0 40 DGAB CC(=O)N1CC[C@H](Cc2ccnc(-c3nc(C)c(C)s3)c2)C1 585179611 GQNDYIAQNZMFHA-OAHLLOKOSA-N 315.442 3.233 0 40 DGAB S=C(NC1CCCCC1)NC1CCN(CC2CCCC2)CC1 62863099 ZURWFGJWXHFXHX-UHFFFAOYSA-N 323.550 3.438 0 40 DGAB CC(=O)Nc1ccc(-c2csc(N3CCSCC3)n2)cc1 69569342 BPCYGADUYBDCNL-UHFFFAOYSA-N 319.455 3.322 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1 69738299 AUDFUKNHMBWOLN-HNNXBMFYSA-N 308.385 3.150 0 40 DGAB Cc1nc(CNc2ccc(C)c(N3CCOC3=O)c2)cs1 81196783 AZRSFHSLBPCQCS-UHFFFAOYSA-N 303.387 3.329 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccs1 585300010 GGKWQWMGRPFXNA-UHFFFAOYSA-N 301.415 3.129 0 40 DGAB COC(=O)c1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 5654773 INGDBSFSLYYZNL-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1cccc(C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)c1 12648635 YFZYDUPKZBDVHX-AWEZNQCLSA-N 307.390 3.105 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 12802925 YRSCGTUURXPCNA-YOEHRIQHSA-N 322.408 3.254 0 40 DGAB Cc1cc(CN[C@H](CS(C)(=O)=O)c2ccccc2)ccc1F 154996973 SZTZSIDPOGLKTD-QGZVFWFLSA-N 321.417 3.010 0 40 DGAB Cn1ncc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1Cl 160110 QZOYEVQBZWSRHU-UHFFFAOYSA-N 319.670 3.224 0 40 DGAB O=C(Nc1ccccn1)c1cccc(OCc2cscn2)c1 27654501 HAYILOTWAOHARD-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB O=C(O)C[C@@H](NC(=O)Cc1cccs1)c1ccc(Cl)cc1 4686091 GJXHSFHWGIHPSF-CYBMUJFWSA-N 323.801 3.276 0 40 DGAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1cccs1 23127202 SEBWDUMBHUALSS-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NCc2cccnc2OC(C)C)o1 40120828 DQUJNOHABYMBLC-ZDUSSCGKSA-N 317.389 3.331 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](c3c[nH]c4ccccc34)C2=O)cc1 100745519 IJEFRJDBAXYOIS-HNNXBMFYSA-N 320.348 3.224 0 40 DGAB biogenic COCCN(C(=O)c1csc(-c2ccc(C)cc2)n1)C1CC1 40542430 AIBJVTNNGOMTJI-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB Cc1cc2c(cc1C)[C@H](NCC[C@@H](C)[S@@](C)=O)CCCO2 108372295 TUEHNUMTURZHKW-NVAPDCRFSA-N 309.475 3.264 0 40 DGAB COc1cccc(CNC(=O)c2cc(C)nc3ccccc23)c1 217266 RIJLSEWWAAWGGR-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB CC(C)CNC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 1336751 RTQWXKFEJFFKGN-UHFFFAOYSA-N 322.449 3.251 0 40 DGAB COc1cc(CNC(=O)Nc2nc3ccccc3s2)ccn1 29332260 KCLJXFPMZARPCG-UHFFFAOYSA-N 314.370 3.022 0 40 DGAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCCCCC3)c2c1 20722961 SVQKGNQDISUWIK-INIZCTEOSA-N 302.374 3.178 0 40 DGAB Cc1cc(C(=O)COC(=O)/C=C/c2ccc(F)cc2)c(C)n1C 4836253 OREMULXHBQDEJP-RMKNXTFCSA-N 315.344 3.220 0 40 DGAB N[C@@H](Cc1c[nH]c2ccccc12)CN1CCCc2ccccc21 11805278 VAYVXKMCSCOZJS-KRWDZBQOSA-N 305.425 3.491 0 40 DGAB Cc1cccc(CCC(=O)Nc2cccnc2-n2cccn2)c1 32817032 QMAIMZFJCDLCGQ-UHFFFAOYSA-N 306.369 3.147 0 40 DGAB COc1ccccc1[C@@H]1Nc2nonc2N=C2CCCC(O)=C21 102742573 DSHYLBQCWPUPPG-AWEZNQCLSA-N 312.329 3.314 0 40 DGAB CCOc1cc(C(=O)Nc2nccs2)ccc1OC(F)F 2796877 KGKZXZAPRISMJP-UHFFFAOYSA-N 314.313 3.396 0 40 DGAB O=C(CCN1CCCc2ccccc21)N1CCc2ccccc21 22197424 GHFZYHLXKCRUHB-UHFFFAOYSA-N 306.409 3.419 0 40 DGAB CCc1ccccc1NC(=O)[C@@H]1CN(C(C)=O)c2ccccc2O1 22401057 WIQLADMCZQAVIH-SFHVURJKSA-N 324.380 3.002 0 40 DGAB COc1cccc(Oc2cc(-n3nc(C)cc3C)nc(C)n2)c1 12408543 MBWRNKMZVVOMCM-UHFFFAOYSA-N 310.357 3.388 0 40 DGAB Cc1ccccc1C(=O)N1CCC(c2n[nH]c(C3CC3)n2)CC1 69415174 FHQOVKVDCKXXOS-UHFFFAOYSA-N 310.401 3.010 0 40 DGAB O=C(CCc1ccsc1)NCc1ccccc1-n1ccnc1 55696118 FOSJTEHZWDEWFX-UHFFFAOYSA-N 311.410 3.183 0 40 DGAB O=C(O)[C@H]1CC2(SCCCS2)c2cc(F)ccc2O1 26460462 YMQXVPAZYSEQDG-LLVKDONJSA-N 300.376 3.084 0 40 DGAB O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108106062 CYNKYAOHECPYCO-MPESAESLSA-N 322.355 3.035 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCN(C)c2ccccc2)c1 24241194 FKXZISIUZFVYNM-INIZCTEOSA-N 312.413 3.015 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1ccccc1)C1CC1 58064777 WETVZQLJSFJKHA-UHFFFAOYSA-N 318.380 3.072 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2cccc3cnccc23)CC1 44713445 NHFVAONVLCETEV-UHFFFAOYSA-N 313.401 3.292 0 40 DGAB COc1ccc(N(C(=O)c2cnc(C)cn2)[C@@H](C)C2CC2)cc1 58180599 WAQPQOXMRJSZAK-ZDUSSCGKSA-N 311.385 3.239 0 40 DGAB C[C@@H](C(=O)N1CCc2ccccc2C1)n1ccc(C(F)(F)F)n1 27974033 STYYFGNJTDLGQC-NSHDSACASA-N 323.318 3.048 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(N2CCCC2)c(F)c1 48137931 PSGPSEMPESGNHI-UHFFFAOYSA-N 314.364 3.143 0 40 DGAB Cc1ccc2c(COC(=O)c3ccc(O)cc3)cc(=O)oc2c1C 3323725 XAHXPIJNALQZBO-UHFFFAOYSA-N 324.332 3.472 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)NCCCc1ccccc1 3454305 ZBKJGMJAKRURNH-MRXNPFEDSA-N 308.425 3.187 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 3552726 OTQSZQMPPWKJON-UHFFFAOYSA-N 303.387 3.455 0 40 DGAB CC[C@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 69148163 WYTRFCYNMMSMEH-LBPRGKRZSA-N 302.374 3.198 0 40 DGAB COC(=O)c1ccc(COC(=O)c2ccc3ccccc3n2)cc1 3619451 AXBJSBUNQSNRHE-UHFFFAOYSA-N 321.332 3.378 0 40 DGAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2ccc(F)cc2)CC1 3832029 LUSPAVMINXYZIB-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1nccc2ccccc12 64875213 LXJNAJQPJAUQED-UHFFFAOYSA-N 320.348 3.339 0 40 DGAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OCC(C)C 13843888 MJOBPOWCEAFQCH-ZSOIEALJSA-N 321.398 3.444 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1ccc(N(C)C(C)=O)cc1 6262291 BWVZWZAMRNPXTG-MDWZMJQESA-N 324.380 3.330 0 40 DGAB Cc1cccc2[nH]c(C(=O)OCC(=O)Nc3ccccc3)cc12 9155994 LKZZAJSEMLKTSI-UHFFFAOYSA-N 308.337 3.272 0 40 DGAB C[C@H](OC(=O)CCC1CCCC1)c1nc2ccccc2c(=O)[nH]1 5356166 SKQMVRDIWDYKAB-LBPRGKRZSA-N 314.385 3.498 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)NC1C2CC3CC(C2)CC1C3 6552188 UINCWXQKSPZWFU-ILAVUIRHSA-N 324.468 3.379 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 14787849 ZSEMHKHRRUKVHF-UHFFFAOYSA-N 301.367 3.276 0 40 DGAB O=C(CCCNC(=O)c1cccs1)NC1CCCCCC1 19164128 WLTNNHOHKGWFPD-UHFFFAOYSA-N 308.447 3.097 0 40 DGAB CC(=O)N(C)c1ccc(N[C@@H](C)c2nc(C3CC3)no2)cc1 68351833 GRBUTCNNIJPUDF-JTQLQIEISA-N 300.362 3.103 0 40 DGAB CC[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CCO1 71186151 QMQVWMAMUJFBCF-JTQLQIEISA-N 302.296 3.348 0 40 DGAB Cc1cccc(NC(=O)CCN2C(=O)COc3ccccc32)c1C 8060313 ZUYUTLAVSZKTLE-UHFFFAOYSA-N 324.380 3.058 0 40 DGAB O=[S@](Cc1nc(-c2cccs2)no1)c1cccc(F)c1 83979285 CPZCLSKDIWHLIX-FQEVSTJZSA-N 308.359 3.245 0 40 DGAB Cc1nc(C)c(CCNC(=O)N[C@@H](C)Cc2ccsc2)s1 71888444 VQCTWSGTCLHDKX-JTQLQIEISA-N 323.487 3.294 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@](=O)Cc1cccc(Cl)c1 71858993 MSUQCIOHXFVHRB-GIPWTMENSA-N 313.850 3.036 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)c1ccc(NC(N)=O)cc1 9676944 ODIPWHVFARIARV-UHFFFAOYSA-N 303.749 3.391 0 40 DGAB CN(Cc1ccc(C(N)=O)cc1)Cc1ccc(C(F)(F)F)cc1 9690050 IWBLMSQVMSMRHG-UHFFFAOYSA-N 322.330 3.436 0 40 DGAB COc1c([C@H]2CCCN2c2nc3ccccc3o2)c(C)nn1C 72276574 WQJIJBMXFCPJRD-CYBMUJFWSA-N 312.373 3.220 0 40 DGAB CC(C)CCC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 72293581 CVDMFXGTANVGML-ZIAGYGMSSA-N 312.454 3.184 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2[nH]ccc2c1 97001636 IFRPCRAIDAYWED-UHFFFAOYSA-N 308.337 3.138 0 40 DGAB CC(C)N1CCC[C@H](Cc2cnc(Br)cn2)CC1 72343855 BGDSKTCHPQLOLN-LBPRGKRZSA-N 312.255 3.292 0 40 DGAB C[C@H](NC(=O)[C@H]1CC[C@@H](C)O1)c1ccccc1C(F)(F)F 97228217 BGSOWNQCNWFHIQ-GBIKHYSHSA-N 301.308 3.450 0 40 DGAB CC(C)CC(=O)Nc1cccc(CNCC2=CCCOC2)c1 84456682 UQPBCQPQVKSPMS-UHFFFAOYSA-N 302.418 3.108 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)c3ccsc3)C2)n[nH]1 76060091 QMHIEHHEXVZYDT-CHWSQXEVSA-N 303.431 3.289 0 40 DGAB c1ccc2c(c1)CCSC[C@@H]2NCCCOC[C@@H]1CCOC1 95423022 LEPITJVDHUTJRA-YJBOKZPZSA-N 321.486 3.050 0 40 DGAB COC(=O)c1ccc(COC(=O)c2cccc(Cl)c2)cc1 409215861 BSYVPEKJQKZEPW-UHFFFAOYSA-N 304.729 3.484 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)s1 33055285 FKAXDBBDHRTWIE-GFCCVEGCSA-N 300.427 3.238 0 40 DGAB CC[C@H](NC(=O)[C@@H](CC)OC1CCCC1)c1c(C)nn(C)c1C 72527493 AGXFGRHALRHUQB-JKSUJKDBSA-N 321.465 3.342 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1c[nH]c2ccc(F)cc2c1=O 32606297 HZDFFZIGXHVUSQ-UHFFFAOYSA-N 318.254 3.198 0 40 DGAB Cc1ccc(-c2ccc3nnc([C@H]4CCCCN4)n3n2)cc1C 217563196 CJZOPPOVLSKODJ-MRXNPFEDSA-N 307.401 3.223 0 40 DGAB CO[C@@H]1CCCN(C(=O)c2cnccc2Oc2ccccc2)C1 558629343 RHNJFNKTAUTPCJ-OAHLLOKOSA-N 312.369 3.125 0 40 DGAB COc1cccc2c(N[C@H]3CCCc4c3cnn4C)nccc12 565991203 CYQNXCNMWXKAIH-HNNXBMFYSA-N 308.385 3.466 0 40 DGAB CCn1ccc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)n1 72242992 QQDQFDHYJUMUHN-UHFFFAOYSA-N 323.278 3.050 0 40 DGAB Cc1ccc2[nH]c(C(=O)NCc3nnc(C4CC4)s3)cc2c1 563296308 BCORDDFKQKVCMY-UHFFFAOYSA-N 312.398 3.135 0 40 DGAB O=C(NC1CCOCC1)N1CCC(CCc2ccccc2)CC1 80087185 CTMDOTOJQZMXJZ-UHFFFAOYSA-N 316.445 3.220 0 40 DGAB O=C(O)c1conc1[C@@H](O[C@@H]1CCCCO1)c1ccc(F)cc1 504206475 VAKCHQZZVIWYSP-HIFRSBDPSA-N 321.304 3.145 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)Nc1nnc(SC)s1 225615517 LDOYEDDRDJYIED-JTQLQIEISA-N 323.443 3.365 0 40 DGAB Cc1ccc(CNCc2cccn2C)c(OC[C@@H]2CCOC2)c1 88753573 OQEVJTGLEMWMKI-MRXNPFEDSA-N 314.429 3.039 0 40 DGAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1cccc(C(N)=O)c1 616616668 OAMNBZQHSFOLFA-AWEZNQCLSA-N 304.390 3.248 0 40 DGAB Cc1cc(NC(=O)NC[C@H](C)Sc2ccccc2)n(C)n1 96433773 DEFNDUFRZXWVEH-LBPRGKRZSA-N 304.419 3.031 0 40 DGAB O=C(N[C@@H](CC(F)(F)F)c1ccccc1)c1cn2c(n1)CCC2 582063911 LLHMVEIPDVEASC-LBPRGKRZSA-N 323.318 3.253 0 40 DGAB COc1cccc([C@H](N)c2nc(-c3cccc(Cl)c3)n[nH]2)c1 95533520 MQMQBGMVPDXSQZ-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB Cc1ccc(CN2CCc3[nH]c4ccccc4c(=O)c3C2)cc1 85345700 LQOPWVWAYJKOGY-UHFFFAOYSA-N 304.393 3.395 0 40 DGAB COc1cc(C(=O)C(F)(F)Br)cc(F)c1F 382673331 GHGJLIWVTIXDIY-UHFFFAOYSA-N 301.033 3.144 0 40 DGAB c1ccc(CNCCc2nc([C@@H]3CCCSCC3)no2)cc1 575415109 RLNNVIMOXNWGQH-OAHLLOKOSA-N 317.458 3.403 0 40 DGAB C[C@@H]1CC[C@H](C(=O)NCCc2c[nH]c3cc(F)c(Cl)cc23)O1 585124223 HNVVNGFCEBHRBJ-RFAUZJTJSA-N 324.783 3.187 0 40 DGAB CC(C)N1C[C@H]2c3ccccc3[C@@H](NC(=O)C(C)(C)C)[C@H]2C1 585109238 DOUUFIYRCXOWIO-YESZJQIVSA-N 300.446 3.327 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CCC(N)CC2)C(F)(F)C1 1083104389 UABIINADLYYICF-UHFFFAOYSA-N 304.381 3.150 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@@H]1CCCN1Cc1ccccc1 63108328 DWBZEGVESZUINF-AQNXPRMDSA-N 320.436 3.323 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ccn[nH]3)C1)CCCC2 72369520 IGAXKSKWUXFNEZ-CYBMUJFWSA-N 313.401 3.210 0 40 DGAB Cc1cc(F)cc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)c1 87389982 IWPMZVXSBCUCLI-CYBMUJFWSA-N 319.298 3.318 0 40 DGAB COc1ccc(NC(=O)c2cscn2)cc1Br 78467658 QQSQGRKBRQFRER-UHFFFAOYSA-N 313.176 3.167 0 40 DGAB O=S(=O)(NCc1cccc(Cl)c1)c1ccc(F)c(F)c1 5756939 ZNMLQRHYLVEUKF-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB COc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1Cl 13167548 LOIHPFLUEPJIPF-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccccc1CN1C(=O)C(=O)c2cc(Cl)ccc21 15922174 NZRONQGMOYAKDV-UHFFFAOYSA-N 301.729 3.078 0 40 DGAB Cc1ccc([S@@](=O)/C=C/S(=O)(=O)c2ccc(C)cc2)cc1 16932093 GTPJYKULSJJURI-YVNCXZRQSA-N 320.435 3.356 0 40 DGAB COc1ccc(NC(=S)NCCc2cccs2)c(OC)c1 17056210 LWFXZTJIQSMNNH-UHFFFAOYSA-N 322.455 3.294 0 40 DGAB O=C(NCc1ccc(Cn2cccn2)cc1)Nc1ccccc1 17744951 RQVXCWPBBFZHPQ-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1 293034 KMLSILMAIBWQRS-MHWRWJLKSA-N 309.321 3.048 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1F)c1ccc2nccn2n1 1889186890 FFWGSTUOXCDLIF-UHFFFAOYSA-N 324.237 3.140 0 40 DGAB C[C@H](NC(=O)c1cn2ccccc2n1)c1ccc(F)c(F)c1 24752687 WISQVHPVMXLGND-JTQLQIEISA-N 301.296 3.104 0 40 DGAB Cc1nnsc1C(=O)Nc1ccccc1C(=O)c1ccccc1 4584554 IFNROTZNSMTTLE-UHFFFAOYSA-N 323.377 3.330 0 40 DGAB Cc1ncnc(C(=O)Nc2cccc(Br)c2)c1C 1888864022 VNFWTDDDJSSSFJ-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CN(C)c1nccc(CNC(=O)Nc2ccc3ccccc3c2)n1 206728836 TVKGHXRFTLDAPO-UHFFFAOYSA-N 321.384 3.018 0 40 DGAB CCCc1nnsc1C(=O)N1CC[C@H](c2ccccc2)C1 38567063 OJUNYTBJAJOBBU-ZDUSSCGKSA-N 301.415 3.120 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H]1CCc2ccccc21 40049998 KYDBGAHMYIXSCE-IIDMSEBBSA-N 300.446 3.395 0 40 DGAB CCc1ccccc1NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 100270624 OOAOSOAEXSJSJL-ROUUACIJSA-N 301.386 3.309 0 40 DGAB Clc1ccc(-c2nnn(Cc3ccc(Cl)nc3)n2)cc1 31653540 JVEGDEQHPRQXPL-UHFFFAOYSA-N 306.156 3.090 0 40 DGAB COc1ccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)cc1 100834909 CMIFCKMWXAZVJK-AWEZNQCLSA-N 310.382 3.404 0 40 DGAB C[C@H](Oc1cccc(Br)c1)C(=O)NCc1ccco1 150360 QHQSJOAFGAKEJL-JTQLQIEISA-N 324.174 3.126 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CN2CCC[C@@H]2C(C)(C)O)cc1 89725073 CDXDLTHAJUUMHP-MRXNPFEDSA-N 318.461 3.158 0 40 DGAB CC(=O)CC(=O)Nc1ccc(Cc2ccc(NC(C)=O)cc2)cc1 1722570 TTYNFZTWUQZOIS-UHFFFAOYSA-N 324.380 3.153 0 40 DGAB CC[C@@H](C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29255174 CDCMPIMZRWXCBV-OAHLLOKOSA-N 324.424 3.170 0 40 DGAB CCc1nnc(NC(=O)COc2ccc(Cl)c(C)c2)s1 4093688 YXVDLFAJRNSTJQ-UHFFFAOYSA-N 311.794 3.080 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCC3)cn1 69628231 VDCRCIRCYHEWTB-LJQANCHMSA-N 323.440 3.205 0 40 DGAB COc1ccc(NC(=O)c2ccc(C(C)=O)s2)c(OC)c1 9252866 ZXIVIUZTIFAYBG-UHFFFAOYSA-N 305.355 3.220 0 40 DGAB COc1ccc(C)cc1Cn1nc(-c2ccccc2)ccc1=O 52892797 XZWLSIINJXZVMY-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB CCS(=O)(=O)c1ccccc1N[C@@H](C)c1cccc(O)c1 37124561 CYUMHBDUMODSGK-LBPRGKRZSA-N 305.399 3.359 0 40 DGAB CC(=O)c1cc(C(=O)NCCCn2ccc3ccccc32)n(C)c1 53657624 JWHWEGQDCBVZJE-UHFFFAOYSA-N 323.396 3.003 0 40 DGAB CC(C)OCCCNC(=O)Cc1cccc(C(F)(F)F)c1 42236310 QQHOBHCFHOMCKX-UHFFFAOYSA-N 303.324 3.179 0 40 DGAB C[C@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 24067188 BCFKUSFVSKPWNW-RNVIBTMRSA-N 309.365 3.348 0 40 DGAB Cc1ccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)nc1 12522922 KBALYIAAKQBPEX-INIZCTEOSA-N 312.369 3.200 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(C/C=C/c2ccccc2)CC1 107484854 UEZXQKXPKSRQCS-LEARLUKTSA-N 324.468 3.280 0 40 DGAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)c1 12554505 LYAVEMLVGXGBHN-ZDUSSCGKSA-N 311.385 3.393 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 10221379 WABFPQNFWOARRS-UHFFFAOYSA-N 322.408 3.497 0 40 DGAB O=C(NCc1ccccc1F)N1CC[C@@H](Nc2ccccc2)C1 58230221 JLSXLPAPSWMNMD-MRXNPFEDSA-N 313.376 3.222 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1ccc(Cl)s1 58392556 LAOQSNJBTXDGEK-JTQLQIEISA-N 312.870 3.360 0 40 DGAB CC[C@@H]1Oc2cc(O)ccc2N(Cc2ccccc2F)C1=O 36261103 JOKAMYGUIJKFPH-HNNXBMFYSA-N 301.317 3.236 0 40 DGAB O=C(NCCc1cn2ccccc2n1)c1ccc2ccccc2c1 12666316 YAAIPWIYUMOKSY-UHFFFAOYSA-N 315.376 3.460 0 40 DGAB CCC[C@H](C)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 12793589 RMHFWTIVRJIVIU-NSHDSACASA-N 302.422 3.319 0 40 DGAB CCCCN(CC(F)(F)F)C(=O)c1ccc(NC(C)=O)cc1 48311104 NZELJFRYPXQLLM-UHFFFAOYSA-N 316.323 3.450 0 40 DGAB CC(C)N(C)CC(=O)Nc1nc2ccccc2n1-c1ccccc1 63467723 BZHQXUBQWQGBFE-UHFFFAOYSA-N 322.412 3.304 0 40 DGAB COc1ccc(C(=O)CS(=O)(=O)c2ccc(Cl)cc2)cc1 4087898 UHZCNPOTRFEWPB-UHFFFAOYSA-N 324.785 3.005 0 40 DGAB Cc1cccc(C)c1OCC(=O)NCCc1ccc(F)cc1 5062580 VHRZVOBTFKDMLE-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CC(C)(C)c1csc(CCNC(=O)Cc2ccccc2)n1 65008705 WNXFQNBEDQXEBG-UHFFFAOYSA-N 302.443 3.342 0 40 DGAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)no1 6588820 XHVDOBURBVYZRJ-UHFFFAOYSA-N 302.664 3.490 0 40 DGAB C[C@@H](NCc1c(F)cccc1Cl)c1nnc2ccccn12 15593720 MHYJWQQLVBBAST-SNVBAGLBSA-N 304.756 3.373 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(N2CCCC2=O)cc1 7641478 RKDMRXUMVFVOSA-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc2ncccc2c1 71280217 FRZFGRLASILKHQ-ZDUSSCGKSA-N 322.368 3.429 0 40 DGAB O=C(NNc1ccccc1C(F)(F)F)c1cc(C2CC2)on1 71794544 IFTGNHHVILWCCA-UHFFFAOYSA-N 311.263 3.328 0 40 DGAB C[C@@H](NC(=O)N(C)CC1CC1)c1cccc(N2CCCC2)c1 87281134 WZATUNCJFAMULU-CQSZACIVSA-N 301.434 3.399 0 40 DGAB C[C@H](NC(=O)C[C@@H](C)C(=O)c1ccc(Cl)cc1)[C@@H]1CCOC1 97045178 LCMPZAKVXOIJCJ-MBNYWOFBSA-N 323.820 3.090 0 40 DGAB CSC[C@H](C)NC(=O)NCCc1cccc2ccccc12 77344591 SHKMXQOHKBUWGS-ZDUSSCGKSA-N 302.443 3.433 0 40 DGAB C[C@H](NC(=O)Nc1cccc(N2CCCC2)c1)C1CCOCC1 95416936 ZYPUVAQLDYBMRC-AWEZNQCLSA-N 317.433 3.223 0 40 DGAB COc1ccc2c(c1)N(Cc1nc3cccnc3s1)CCO2 95445420 NLHDJCDMVYEMLH-UHFFFAOYSA-N 313.382 3.099 0 40 DGAB Cc1cc(CC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)n[nH]1 95427292 LELUHHCJKQQSNX-VQIMIIECSA-N 309.413 3.189 0 40 DGAB COc1ccc(F)cc1C[S@](=O)Cc1ncc(C(C)C)o1 85224265 RKCYEPAIELXYRR-OAQYLSRUSA-N 311.378 3.395 0 40 DGAB COc1cccc(C[C@H](C)NCc2ccc([S@@](C)=O)cc2)c1 85323762 GVRYQWPBLPZBOW-FPTDNZKUSA-N 317.454 3.153 0 40 DGAB C[C@@H]1CCC[C@@H](C)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 95961371 QOFVXUYZARLGQV-CHWSQXEVSA-N 319.836 3.358 0 40 DGAB CCc1cc(CNC(=O)N(C)c2cc(Cl)ccc2OC)on1 89282943 ULFXQXWQSQZSLV-UHFFFAOYSA-N 323.780 3.245 0 40 DGAB CC(=O)c1c(C)nc(C)nc1SCc1nnc(C(C)C)o1 89525978 JEDHVMNPNFWJDA-UHFFFAOYSA-N 306.391 3.095 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2cc(F)ccc2F)cc1 29977173 LDKQABTWQANHLJ-UHFFFAOYSA-N 318.367 3.393 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NC(=O)C2=CCCC2)C1 120156130 ZZHGKOKTARCGGP-UONOGXRCSA-N 308.422 3.049 0 40 DGAB FC(F)(F)COc1cccc(-c2nc(-c3ccccn3)no2)n1 125607785 GKOODEIKLFVEET-UHFFFAOYSA-N 322.246 3.135 0 40 DGAB Cc1onc(CN(C)Cc2cccc(OC(C)C)c2)c1C(=O)O 518783086 YUSXDIMKDSYADV-UHFFFAOYSA-N 318.373 3.100 0 40 DGAB C[C@@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)C1 72340758 RYDIIPINCFIXLV-CYBMUJFWSA-N 323.400 3.373 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2cccnc2)[nH]n1 74630113 XZFCFZBFGWWBCM-UHFFFAOYSA-N 318.258 3.141 0 40 DGAB CC(=O)c1c(F)cccc1NC1CCN(C(=O)CC(C)C)CC1 78987882 QVVNOACZSQUQKP-UHFFFAOYSA-N 320.408 3.477 0 40 DGAB COc1ccc([C@@H](CO)N(C)Cc2cccc3cccnc23)cc1 79091284 UEMILVPRHIJXTG-LJQANCHMSA-N 322.408 3.409 0 40 DGAB C[C@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@H](C)O1 36108196 VWNPDOBODKGLFJ-KWBADKCTSA-N 303.233 3.102 0 40 DGAB CN(CC(F)F)C[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)CC1 2362803072 CLTOZMQRINFNTD-TXEJJXNPSA-N 306.397 3.267 0 40 DGAB Cc1cnc(NC(=O)N(C)Cc2cnc(C(C)C)nc2)s1 520328561 JXMDIZDHSVUSPN-UHFFFAOYSA-N 305.407 3.029 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCN(Cc2ccco2)CC1 46322119 RVEKAYJLKDURIP-UHFFFAOYSA-N 323.396 3.027 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOc1ccccc1C 225040497 YPTCOYOACQTUTH-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CCn1cccc1[C@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222635206 HHTDPHPXFZFVJR-MAZHCROVSA-N 312.442 3.492 0 40 DGAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CC 222905307 ZKNYASVOPXERFJ-CQSZACIVSA-N 322.424 3.259 0 40 DGAB CC(C)n1c(=O)sc2cc(NC(=O)c3cccnc3)ccc21 225182304 YTQIUMKWBDCJTO-UHFFFAOYSA-N 313.382 3.291 0 40 DGAB CCS(=O)(=O)c1ccccc1NC(=O)NC1CCCCCC1 40104980 AAQXKFNWQIXPGU-UHFFFAOYSA-N 324.446 3.325 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CSCN2C(=O)OC(C)(C)C)c1 80343985 HXYFHUZFSWKBBX-ZDUSSCGKSA-N 322.430 3.244 0 40 DGAB Oc1c(Br)cc(C(F)(F)F)nc1Br 47218591 CWBQWGGBPLWHMW-UHFFFAOYSA-N 320.890 3.331 0 40 DGAB CCc1nnc(Cn2nc(C)nc2-c2ccc3ccccc3c2)o1 96409797 BBEXHWBNFFAOQB-UHFFFAOYSA-N 319.368 3.400 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H](O)C(C)C 96435335 VBEVCMLCOIHMEM-MRXNPFEDSA-N 308.422 3.058 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1CCC[C@@H]1c1ccc(F)cc1 96492921 AIZAXBPQNOKNOE-OAHLLOKOSA-N 321.392 3.469 0 40 DGAB CCCOC(N[C@@H](C)c1ccc(OC)c(OC)c1)OCCC 24717741 NSIJAAAOSVVHJI-ZDUSSCGKSA-N 311.422 3.491 0 40 DGAB biogenic Cc1cc(C)n(C[C@@H](C)CN[C@H](C)c2cnn(C(C)C)c2)n1 96476627 RWMXGOZQJTUSCI-XJKSGUPXSA-N 303.454 3.264 0 40 DGAB CCc1cc(O)nc(SCc2cc(Cl)c3c(c2)OCO3)n1 579069855 CGPLWXLTMLIGQN-UHFFFAOYSA-N 324.789 3.419 0 40 DGAB Cc1ncsc1COC(=O)c1c(C(C)C)nn(C)c1Cl 96441904 CSYJANOPQRIEPP-UHFFFAOYSA-N 313.810 3.319 0 40 DGAB Cc1ccc(CN2CC3(C[C@@H](Oc4cccnc4)CS3)C2)o1 248126196 WZGQHRNMTWLQRB-MRXNPFEDSA-N 316.426 3.122 0 40 DGAB c1ccc(O[C@H]2C[C@@H]3CN(Cc4nccs4)C[C@@H]3C2)cc1 257226943 FMXLWYHKDYZHBB-FOLVSLTJSA-N 300.427 3.433 0 40 DGAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cncs2)ccn1 257338066 YVQPZRFVFIUERS-CQSZACIVSA-N 301.415 3.084 0 40 DGAB COC(C)(C)C(=O)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257253574 JZKWFUFYGWBGGQ-AWEZNQCLSA-N 312.413 3.051 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 257286343 PLEZWUJDZGRITB-AWEZNQCLSA-N 317.820 3.320 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@@H]1CCc1ccncc1 257232740 GMEGSDOVNQTHRO-GOSISDBHSA-N 324.424 3.474 0 40 DGAB O=C(C(F)=C1CCC1)N(Cc1ccncc1)Cc1cccnc1 585088754 YQEUHQFRGKXUHE-UHFFFAOYSA-N 311.360 3.413 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@@H](C(=O)O)[C@H](C)O[C@H]21 257272088 NBABOPKAAYDAMU-QMPIGLIWSA-N 320.385 3.423 0 40 DGAB COCCN(Cc1ccoc1)C(=O)CSCc1ccccc1 85474302 WRCMFBUUZUPUJF-UHFFFAOYSA-N 319.426 3.188 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)nc1)NCc1cccs1 390830792 NLSMHBJGKIRBTE-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB COc1cccc([C@@H](CNC(=O)c2cccc(Cl)c2)OC)c1 96389804 XZRNHYLGHWLQGL-MRXNPFEDSA-N 319.788 3.466 0 40 DGAB COCOc1ccc(Br)c(OC(F)(F)F)c1 953037785 MKMVNGNAFLOEDW-UHFFFAOYSA-N 301.058 3.330 0 40 DGAB COCc1nnc2n1CCN(Cc1cccc3ccccc13)[C@@H]2C 585098067 SYMMGVIPLLQOOB-CQSZACIVSA-N 322.412 3.155 0 40 DGAB C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(F)(F)[C@@H](C)C2)cn1 685543169 FVOMOVPSZSGNKR-QWRGUYRKSA-N 312.364 3.363 0 40 DGAB O=C(C[C@H]1C=CCC1)NC1CCN(c2ccc(F)cc2)CC1 53244355 IODJGXYCXKWYNS-AWEZNQCLSA-N 302.393 3.267 0 40 DGAB COC(=O)Nc1cc(NC(=O)Cc2ccc(C)cc2)ccc1F 66489339 QEQKSHGDGRUGCC-UHFFFAOYSA-N 316.332 3.494 0 40 DGAB C[C@H](NCc1csc(-c2ccco2)n1)[C@@H](C)n1cccn1 69372303 ONYYUFADYAAHSA-NWDGAFQWSA-N 302.403 3.339 0 40 DGAB CCc1ccc(CCNC(=O)[C@H](C)Cc2c(C)n[nH]c2C)cc1 73819674 GWVGAJMAVRETOL-CYBMUJFWSA-N 313.445 3.126 0 40 DGAB O=S(=O)(Nc1ncc(Cl)cc1Cl)c1ccccc1 16491513 OOGVXJTUWBLQCM-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB Cc1cnc(C(=O)N[C@H]2[C@H]3CCCC[C@H]3[C@@H]2c2ccccc2)cn1 19239010 WDQXDRVEKYNEHE-NEPXVJNWSA-N 321.424 3.487 0 40 DGAB Nc1cccc2c1CCCN2C(=O)c1coc(Br)c1 195546759 RBOHCCPSCRODAG-UHFFFAOYSA-N 321.174 3.217 0 40 DGAB O=C(COc1ccccc1F)NCC1(c2ccc(F)cc2)CC1 11899815 VEBUVFIAUIWTNN-UHFFFAOYSA-N 317.335 3.192 0 40 DGAB Cc1ccc(Cc2nnc(Nc3ccc(C)cc3)[nH]c2=O)cc1 5154347 MENUNEWHZOCQEH-UHFFFAOYSA-N 306.369 3.116 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(N(C)C)cc2C)c1C 40111577 SWANHUGSUXAVEO-UHFFFAOYSA-N 313.401 3.461 0 40 DGAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCC3)cc1 303787 GAPJDZMJFAYXSQ-UHFFFAOYSA-N 323.318 3.338 0 40 DGAB OC1CCC(Nc2ncnc3sc4c(c23)CCCC4)CC1 8149145 ALDTYPHVJVLUSK-UHFFFAOYSA-N 303.431 3.286 0 40 DGAB CC[C@H]1CN(Cc2noc(-c3ccc(Cl)cc3)n2)CCO1 69658631 NBEMPYCLGHZWCB-ZDUSSCGKSA-N 307.781 3.001 0 40 DGAB CC(C)(C)NC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 1337073 ZXZYPEOEGOFWML-UHFFFAOYSA-N 322.449 3.393 0 40 DGAB CCCC[C@@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 1575113 OFULIMNERCHOMM-DZGCQCFKSA-N 310.850 3.462 0 40 DGAB CC[C@@H](CNC(=O)/C=C/c1c(C)nn(C)c1C)c1ccccc1 29476627 CQKJGVVWALSSKY-PCUGXKRQSA-N 311.429 3.360 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](O)c3ccccc32)cc1 1686657 UUQNDKFZKZJVTF-QGZVFWFLSA-N 317.410 3.018 0 40 DGAB COc1ccc(-c2csc(NC[C@H]3CCCO3)n2)cc1OC 21264796 JJPFZTAQDZCJNA-GFCCVEGCSA-N 320.414 3.418 0 40 DGAB CN(Cc1ccco1)C(=O)COC(=O)c1ccc2ccccc2c1 21238986 PNDPZIGQEOCEJF-UHFFFAOYSA-N 323.348 3.248 0 40 DGAB O=C(COc1ccc(F)cc1Cl)NCc1ccc(F)cc1 8304247 QQVSJDNQUOSRDN-UHFFFAOYSA-N 311.715 3.313 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)NCCC2CCCCC2)c1 8335613 NLYUCTBTGCLRRY-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB COc1ccc(C(=O)CSc2nc(C)nc3c2CCC3)cc1 12016887 UXHUGTWLLALBCX-UHFFFAOYSA-N 314.410 3.257 0 40 DGAB Cc1cccc(C)c1C(=O)c1ccc(CN2CCN(C)CC2)cc1 22027918 OIVMSUKECZIKKV-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB C[C@H](O)c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 53755890 MOAPICPQJBDCFN-JTQLQIEISA-N 306.312 3.340 0 40 DGAB Cc1noc(C)c1CSCC(=O)Nc1nc(C2CC2)cs1 23134979 ZFROWTARPRAIPE-UHFFFAOYSA-N 323.443 3.497 0 40 DGAB O=C(CSc1ccc(C(F)(F)F)cn1)N1CCCCC1 47339564 QOXDZEQOVFZPEN-UHFFFAOYSA-N 304.337 3.205 0 40 DGAB Cc1cc(O)n2nc(-c3cccc(Br)c3)cc2n1 104693122 OFPVOLCWEFTCPI-UHFFFAOYSA-N 304.147 3.173 0 40 DGAB Cc1cnn(CCC(=O)Nc2ccc(C)c(OCC(F)F)c2)c1 69349778 VBRIZIVNQZYFGB-UHFFFAOYSA-N 323.343 3.173 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)N1CCc2sccc2C1 43164934 SVZUFKDDRQTFCK-CQSZACIVSA-N 314.410 3.340 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)C1C(=O)CC(C)(C)CC1=O 104216579 CCVJWWKWOFAJTP-UHFFFAOYSA-N 307.777 3.161 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCCc2cccs2)on1 43310126 YQPBUHJMOFPISU-ZDUSSCGKSA-N 305.403 3.134 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N(Cc1ccco1)C1CC1 43359712 XNTGDJVNUXWWTK-UHFFFAOYSA-N 304.375 3.205 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)Nc3nccs3)c12 28802766 UGARUCHLZNEBOE-UHFFFAOYSA-N 300.343 3.117 0 40 DGAB C[C@H](NC(=O)CC(C)(C)C)c1nc(-c2ccc(F)cc2)no1 58174023 WYAWCRXSBKLINL-JTQLQIEISA-N 305.353 3.489 0 40 DGAB CN1C[C@@H](Nc2nc(-c3cccs3)nc3ccccc23)CC1=O 58167829 RXXULBPJGKLNRG-NSHDSACASA-N 324.409 3.001 0 40 DGAB Cc1cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)on1 44874755 JRWRPAHNMNLIOS-UHFFFAOYSA-N 310.140 3.048 0 40 DGAB COc1cccc(NCc2cc(=O)oc3cc(OC)ccc23)c1 2125102 LGLREHBGXQGIHS-UHFFFAOYSA-N 311.337 3.422 0 40 DGAB biogenic CCOc1cccc([C@@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)c1 58332155 ZSDPQGCGOFONIW-CHWSQXEVSA-N 317.389 3.060 0 40 DGAB CC(C)=CC(=O)NCc1ccc(C(=O)N2CCCCCC2)cc1 28347855 YJGXNZXEKIRBKV-UHFFFAOYSA-N 314.429 3.285 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 20040337 SFMXJYCQDIBKNP-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB COC(=O)c1ccc(NCc2nc(-c3cccs3)no2)cc1 48354941 XDXIRSLUZWHQQB-UHFFFAOYSA-N 315.354 3.197 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)c(O)c1 3494697 VWPQZMQSLFMNIL-UHFFFAOYSA-N 319.401 3.087 0 40 DGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 8499780 GITOMMIPURKILB-CQSZACIVSA-N 311.381 3.210 0 40 DGAB CCN(CC)[C@@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 69845992 UPTXUTPSPIINSU-GOSISDBHSA-N 311.429 3.123 0 40 DGAB Cc1occc1C(=O)Nc1nnc(COc2ccccc2)s1 13746664 JNXRNPCAOJHXDT-UHFFFAOYSA-N 315.354 3.271 0 40 DGAB C[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1ccc(Cl)cc1 69513946 YBHBPPGTSVCVDM-KGLIPLIRSA-N 310.869 3.083 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)c1nccc2ccccc12 65530467 HEEBFUICPJOOKQ-UHFFFAOYSA-N 302.337 3.041 0 40 DGAB Cc1ccc(CNC(=O)Cc2csc(-c3ccccn3)n2)cc1 14122938 VEAITOFIIHNWNA-UHFFFAOYSA-N 323.421 3.372 0 40 DGAB Cn1cc(/C=C(\Cl)c2nc3ccc(Cl)cc3c(=O)[nH]2)cn1 14180091 XICJKIHVGNXQJT-WCIBSUBMSA-N 321.167 3.047 0 40 DGAB COc1ccc([C@H](CNC(=O)c2cccc(C)c2)N(C)C)cc1 6509968 RSOAQLBYDFMKMT-SFHVURJKSA-N 312.413 3.036 0 40 DGAB CN(Cc1c(F)cccc1Cl)[C@@H](C(N)=O)c1ccccc1 14709890 ODEHDAUXXXITDJ-OAHLLOKOSA-N 306.768 3.138 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3)nn2)cc1C 67261907 OKSJMELOGNDZOK-HNNXBMFYSA-N 320.396 3.375 0 40 DGAB O=C(c1c(F)cccc1F)N1CC[C@H](Nc2ccccc2)C1 67298122 NWGLECIQCXPCMR-ZDUSSCGKSA-N 302.324 3.291 0 40 DGAB O=C(Nc1cccc(F)c1)c1ccc(CN2CCCC2=O)cc1 7127770 XHRYAKXQSDQMOT-UHFFFAOYSA-N 312.344 3.200 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc(C)c(OC)c2)c1 8943501 YQRLQAHEDFOXFR-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB COC(=O)CCCCCCCNC(=O)Nc1ccccc1OC 83982581 JMOZRYGQUTVWIM-UHFFFAOYSA-N 322.405 3.330 0 40 DGAB C[C@H](O)C[C@@H](CNC(=O)c1cccc2[nH]ccc12)c1ccccc1 89894876 PUXXLLFFTCWBIY-HOCLYGCPSA-N 322.408 3.452 0 40 DGAB O=c1ccn(Cc2nnc(-c3cccs3)o2)c2ccsc12 89800102 JPNLHZMLNPCACZ-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB OCc1ccc(CN2CC[C@@H](Oc3ccccc3Cl)C2)o1 93838483 NIKDWULZHKXRRF-CYBMUJFWSA-N 307.777 3.079 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)N(C(C)C)C1CCOCC1 96451140 HMZHELSTBHVNFG-INIZCTEOSA-N 323.408 3.399 0 40 DGAB COc1ccccc1CC1CCN(CC[C@H]2CCCN2C)CC1 83877900 KMIZQHYHYLHHCR-LJQANCHMSA-N 316.489 3.434 0 40 DGAB COc1ccc2c(c1)OCC(/C=C1/N=C(C(C)(C)C)OC1=O)=C2 96939678 CXXKSSAGXIWBRS-RIYZIHGNSA-N 313.353 3.356 0 40 DGAB c1ccc(NC[C@H]2CCN(c3ncnc4ccsc34)C2)nc1 97200876 MYXXLAKJSODCOY-GFCCVEGCSA-N 311.414 3.025 0 40 DGAB CCN(CC)C(=O)C1(N[C@H](C)c2ccccn2)CCCCC1 97231430 ZRHVUWUEMICCBX-OAHLLOKOSA-N 303.450 3.304 0 40 DGAB C[C@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1nccs1 84667938 WEUAGNAUFKHHRT-VIFPVBQESA-N 312.826 3.038 0 40 DGAB Cc1cc(NS(=O)(=O)c2c(Cl)cccc2Cl)no1 78394318 PFXVATPQOQVDFV-UHFFFAOYSA-N 307.158 3.091 0 40 DGAB C[C@H](N[C@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 95422555 SWWTVZSJSRQELA-JSGCOSHPSA-N 300.427 3.484 0 40 DGAB Cc1cc(CSCC(=O)NCC2(c3ccccc3)CC2)on1 78555609 VETBCEICOZIBPP-UHFFFAOYSA-N 316.426 3.064 0 40 DGAB COc1cc(C(=O)N2CCCC[C@@H]2C(C)C)cc(OC)c1OC 78769602 YCKCOPABOVVIRG-CQSZACIVSA-N 321.417 3.363 0 40 DGAB Cc1ccc(C[C@H](NC(=O)C2=CCCCO2)c2cccnc2)cc1 73731519 VZWIHLPIIKZRRW-SFHVURJKSA-N 322.408 3.484 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cccc(F)c1 78896899 BKRJJVALZOLBCU-GDZNZVCISA-N 304.409 3.123 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)NC1(CCO)CCCCC1 79045037 RIMFGVNICWHUIU-UHFFFAOYSA-N 322.453 3.288 0 40 DGAB CCOc1ccccc1CNC(=O)/C=C/c1ccc(OC)cc1 20452553 USSIKHROXNSEAT-JLHYYAGUSA-N 311.381 3.424 0 40 DGAB O=C(Cc1cccs1)NCCSCc1ccccc1F 60906337 AQQWGRRZCQBBTR-UHFFFAOYSA-N 309.431 3.479 0 40 DGAB CC(C)n1cc(Br)c(COCC(F)(F)F)n1 408717079 VNUHQHKHXAVALO-UHFFFAOYSA-N 301.106 3.305 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1cccc(Cl)c1 30850945 UEQPYUJHJHTYMF-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Cc1ccc(C)c([C@H]2CCCN2Cc2cnc(C(=O)O)cn2)c1 530163476 NWJQIOCXVLYJIK-QGZVFWFLSA-N 311.385 3.129 0 40 DGAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)C1CCCC1 35538075 JYABUCGXTWFIEZ-UHFFFAOYSA-N 305.765 3.196 0 40 DGAB C[C@H](Nc1ccc2c(c1)CCCO2)c1nc2ccccc2c(=O)[nH]1 79030446 PKCLOKIEBXFWLP-LBPRGKRZSA-N 321.380 3.421 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1 78403873 PMYQTSKQGWAQOI-GFCCVEGCSA-N 316.426 3.406 0 40 DGAB CN1CCC[C@H]1c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 72365698 NVZVAGMUASBAKV-AWEZNQCLSA-N 316.792 3.149 0 40 DGAB CCC(CC)NS(=O)(=O)c1ccc2cc(OC)ccc2c1 225108038 OGDLTVMFRWYGJJ-UHFFFAOYSA-N 307.415 3.315 0 40 DGAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1cccs1 40122086 ILRUYQFOLCLJNC-UHFFFAOYSA-N 315.442 3.454 0 40 DGAB CCN(CC(C)(C)O)C(=O)Nc1cc(-n2cccc2)ccc1F 83561960 ZTJOJDTWKCONHG-UHFFFAOYSA-N 319.380 3.241 0 40 DGAB CCOc1ccc(C(N)=O)cc1COc1cccc(Cl)c1 224484878 NNQWXXSXBOPVPG-UHFFFAOYSA-N 305.761 3.417 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccc(F)cc1 225744452 AUGKOBVBFPHNNN-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2)C1 44140350 ZABLUNIABZRMSM-HUUCEWRRSA-N 305.491 3.341 0 40 DGAB Cc1cnc(NC(=O)C[C@H](CC(=O)O)c2ccc(F)cc2)s1 226750850 NLQDJOJLKBRFLC-LLVKDONJSA-N 322.361 3.178 0 40 DGAB CCCOC(C)(C)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225837357 LXGZDTCORMTZII-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB Cc1ccccc1CS(=O)(=O)NC[C@@H](C)c1ccccc1 224166956 AAAVQQWZFYHBIE-OAHLLOKOSA-N 303.427 3.218 0 40 DGAB COc1cccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)c1 225099140 QUBBTKRZZOVZMC-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CCOC(=O)c1nnc2cc(Br)ccc2c1Cl 225743610 OLSDNWWLNCUHGC-UHFFFAOYSA-N 315.554 3.222 0 40 DGAB CCn1c(C)cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222734497 UNFXCNWHGKHYIX-JKSUJKDBSA-N 314.458 3.122 0 40 DGAB O=C(c1cnccn1)N(CCC(F)(F)F)Cc1ccccc1 191937767 VIZGVLRNQNBADQ-UHFFFAOYSA-N 309.291 3.071 0 40 DGAB OCCCNCc1cccc(-c2cccc(-c3cc[nH]n3)c2)c1 20820884 BKCKUDNMMJPICM-UHFFFAOYSA-N 307.397 3.216 0 40 DGAB CC1(C)CC(=O)Nc2ccc(NC(=O)COc3ccccc3)cc21 96182993 FHNDRDLJQOCLNC-UHFFFAOYSA-N 324.380 3.324 0 40 DGAB c1cc(Oc2nccs2)cc(-c2nc([C@@H]3CCOC3)no2)c1 95411055 WKPDTKDHAWNJAT-LLVKDONJSA-N 315.354 3.489 0 40 DGAB CCO[C@H](C)c1noc(CNC(C)(C)c2nc(C)c(C)s2)n1 96443576 ZROTYBKMYIXDTJ-SNVBAGLBSA-N 324.450 3.265 0 40 DGAB Cc1cccc(C(C)(C)NC(=O)c2cc(O)nc(C3CC3)n2)c1 579373276 YLDPFJDPFLYTCK-UHFFFAOYSA-N 311.385 3.033 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)C(C)(C)c1cccc(Cl)c1 96446447 NZXYOCSTZOQWKT-UHFFFAOYSA-N 318.804 3.263 0 40 DGAB COC[C@@H]1CN(Cc2cccs2)Cc2c1cnn2CC1CC1 96197911 SFVOESRSHHFUNA-AWEZNQCLSA-N 317.458 3.100 0 40 DGAB Cc1ccc([C@H](C)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 97232175 AAZBGAISJFDVEY-AWEZNQCLSA-N 318.442 3.217 0 40 DGAB CN(Cc1ccccn1)[C@@H](C(=O)O)c1ccc(C(F)(F)F)cc1 1598531120 VHMCFQKXTGUTSN-CQSZACIVSA-N 324.302 3.358 0 40 DGAB Oc1cccc(-c2nc(O)c3c4c(sc3n2)CCCCC4)n1 585137286 QQRZTBCFOMUKAT-UHFFFAOYSA-N 313.382 3.433 0 40 DGAB C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)[C@H]1CCCCO1 585123279 VLVBGPLADPKEBP-DGCLKSJQSA-N 318.339 3.070 0 40 DGAB CC(=O)N1CCC[C@@H]1c1ccnc2ncc(-c3ccc(F)cc3)n12 257276103 NSJSGHXGEMZDQC-OAHLLOKOSA-N 324.359 3.219 0 40 DGAB CC(C)(C)[C@H](NC(=O)c1cccc(C(=O)O)c1)C(F)(F)F 535617425 QOBJDSNWLYDSSL-LBPRGKRZSA-N 303.280 3.092 0 40 DGAB O=C(Nc1ccc2nc[nH]c2c1)c1cc(=O)c2ccc(F)cc2o1 390834659 LWPABAOKZFHJQM-UHFFFAOYSA-N 323.283 3.061 0 40 DGAB COc1c(F)cc(NCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1F 55893659 RKBZQYMVHUHOQK-IINYFYTJSA-N 312.360 3.080 0 40 DGAB CCOc1ccc(C(=O)c2cc3ccc(OC)cc3oc2=O)cc1 166527407 VCLXIQZPAZJKDZ-UHFFFAOYSA-N 324.332 3.431 0 40 DGAB COCCCN(CCOC)C(=O)Nc1c(C)cc(C)cc1C 56530933 OJIYUOHPXWJDJK-UHFFFAOYSA-N 308.422 3.129 0 40 DGAB CCCc1cc(C(=O)NCc2ccc([C@H]3C[C@@H]3C)o2)cc(O)n1 1548491997 XKUUIUPUKQYUDA-NHYWBVRUSA-N 314.385 3.386 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)Nc1ccc(C)cc1 68962715 JWTSRSFQAZXFIS-UHFFFAOYSA-N 311.385 3.312 0 40 DGAB Cc1cc(NC(=O)NC2(c3noc(C)n3)CCCCCC2)no1 72288941 HSIUZUWYYOPDFT-UHFFFAOYSA-N 319.365 3.046 0 40 DGAB C[C@@H](CN(C)C(=O)NC[C@H]1Cc2ccccc21)c1nccs1 97107883 DEJAPOIDTCRPBS-GXTWGEPZSA-N 315.442 3.228 0 40 DGAB C[C@@H](CCNC(=O)N1CCC2(CCOCC2)C1)c1ccccc1 98014460 FEFZRSGBDMKEDF-INIZCTEOSA-N 316.445 3.392 0 40 DGAB Cc1nn(Cc2noc3c2CCCC3)c(C)c1Br 96412930 JLGZVTBAPVGOJK-UHFFFAOYSA-N 310.195 3.178 0 40 DGAB COc1ccc([C@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5513947 FFUWTGVRKRNVNE-MRXNPFEDSA-N 320.348 3.240 0 40 DGAB Nc1ccccc1NC(=O)Cc1ccc(Br)cc1 22214655 NWAQBDYFOKEBSJ-UHFFFAOYSA-N 305.175 3.213 0 40 DGAB Cc1cnn(-c2cc(N[C@@H]3CCCc4ccccc43)ncn2)c1 1888906661 DWGFHYWCODYWBE-MRXNPFEDSA-N 305.385 3.460 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1888930468 LBODPCJMEBJSRS-IRXDYDNUSA-N 320.436 3.396 0 40 DGAB COc1cccc(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)c1 27864331 BCPJZJNMLDZBJN-KGLIPLIRSA-N 315.335 3.475 0 40 DGAB O=C(Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1)C1CCCCC1 30175857 NOYGUPZBBYDRCV-INIZCTEOSA-N 316.401 3.323 0 40 DGAB Cc1cc(C)c(C)c(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)c1 4305122 NIMLFKFFHIODPF-RVKKMQEKSA-N 305.462 3.329 0 40 DGAB O=C(CCc1ccccc1)Nc1cc2c3c(c1)CCN3C(=O)CC2 5153406 UCZHEBCSCXAPLT-UHFFFAOYSA-N 320.392 3.093 0 40 DGAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775973516 INHDWMDCOCYKDS-GJZGRUSLSA-N 321.417 3.478 0 40 DGAB CC(=O)Nc1ccc(CN2CC(n3cnc4ccccc43)C2)cc1 1775979008 XMOKKXLCCKSHIK-UHFFFAOYSA-N 320.396 3.052 0 40 DGAB O=S(=O)(NC[C@@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)s1 100159009 AQULQMCRLFLXAW-BBBLOLIVSA-N 305.852 3.116 0 40 DGAB OC[C@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 122896218 GCHJDLZYVLRENQ-NSHDSACASA-N 310.319 3.462 0 40 DGAB O=c1c(Cl)c(NCc2ccco2)cnn1-c1ccccc1 126660 RBYJNMXDUIOYIT-UHFFFAOYSA-N 301.733 3.091 0 40 DGAB Nc1ccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)cc1 7468486 RKVXZFYIPNVNSH-UHFFFAOYSA-N 323.396 3.147 0 40 DGAB Cc1cccc(NC(=O)NCCCN(C)CC(F)(F)F)c1C 45950313 JXJDYBWACWMBRW-UHFFFAOYSA-N 317.355 3.309 0 40 DGAB O=S(=O)(NC1CCCCCCC1)c1cncc(Cl)c1 89764636 CMKJZXQZFGEBFQ-UHFFFAOYSA-N 302.827 3.126 0 40 DGAB O=C(COc1ccc(Cl)c(Cl)c1)Nc1nccs1 29737592 XRXHNYSKGFRBAG-UHFFFAOYSA-N 303.170 3.467 0 40 DGAB CCn1[nH]cc/c1=N\C(=O)c1ccc(Oc2ccccc2)cc1 102862671 OAUKRIDJBPZACF-LVZFUZTISA-N 307.353 3.370 0 40 DGAB CCc1nc2c(c(=O)[nH]1)[C@H](c1ccc(Cl)cc1)C(C)(C)O2 8642339 BQEWUNDEJADDOO-ZDUSSCGKSA-N 304.777 3.289 0 40 DGAB O=C1Nc2ccccc2[C@@H]1CCNc1ncnc2ccsc12 22015544 SXBSKOARTNTOCB-NSHDSACASA-N 310.382 3.229 0 40 DGAB C[C@@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccncc1 22622129 MNBWLOJSZFHFHT-OAHLLOKOSA-N 320.396 3.077 0 40 DGAB NC(=O)c1cccc(OCCCOc2ccc(Cl)cc2)c1 42113075 IGJZDSQRGNGCQO-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Fc1cc(CN2CCN(C3CCCC3)CC2)c2ncccc2c1 46513623 NSMSEIVZFHDBHV-UHFFFAOYSA-N 313.420 3.434 0 40 DGAB C[C@@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1Cl 23046063 GWDYVJUOHLUKKB-SNVBAGLBSA-N 303.745 3.357 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@@H]2C[C@@H](C)OC2=O)c1 54155805 JZCZBQAFZCJTNT-TZMCWYRMSA-N 302.399 3.285 0 40 DGAB CC(=O)Nc1ccc(CN[C@@H]2CCN(Cc3ccccc3)C2)cc1 23480172 SIFIKXCENQXSHO-HXUWFJFHSA-N 323.440 3.009 0 40 DGAB CCc1ccccc1NC1=NCC(=O)N1Cc1ccc(F)cc1 20143108 LITMWIGMKHCBRZ-UHFFFAOYSA-N 311.360 3.198 0 40 DGAB CCc1c(C(=O)N2CCC[C@@H](C)C2)cnn1-c1ccc(F)cc1 24487242 QJVTULBOBULCPX-CYBMUJFWSA-N 315.392 3.446 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1ccc(Cl)cn1)c1cccs1 26089247 HSAUMRBYIIYJCE-LLVKDONJSA-N 323.805 3.003 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)cc1 51315596 NWGGKAKNENHCQA-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB C[C@]12CC[C@@]3(O)[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 118925004 UXZGHAVOAACUIL-IWLBWFBKSA-N 306.446 3.074 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc(F)cc1F 58146886 BNDCUGRODJVRRN-LLVKDONJSA-N 320.339 3.263 0 40 DGAB COCCN1C(=O)[C@H](Sc2ccccc2)[C@H]1c1cccs1 58203124 LMFUXTMFBDEJSG-HUUCEWRRSA-N 319.451 3.439 0 40 DGAB CC(C)(C)c1ncc(NC(=O)Cc2noc3ccccc23)cn1 58231378 CMCJMPRTBWYFII-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB Cn1c(CNC(=O)c2cc(Cl)ccc2F)nc2ccccc21 12529471 LMLGYEAYRRTHGJ-UHFFFAOYSA-N 317.751 3.296 0 40 DGAB CC(C)[C@@H](NS(=O)(=O)N(C)C)c1ccc(C(C)(C)C)cc1 27961562 RHAOCIZDUXPFND-OAHLLOKOSA-N 312.479 3.077 0 40 DGAB O=C(CSc1ncnc2ccccc12)N1CCCCCC1 3271002 FSWYKJAKFOIPNZ-UHFFFAOYSA-N 301.415 3.125 0 40 DGAB Cc1ccccc1-n1cc(C(=O)Nc2ccc(N(C)C)cc2)cn1 112161248 SRXSHCVVXFLPTB-UHFFFAOYSA-N 320.396 3.499 0 40 DGAB Cc1cccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)c1 2350912 UQXUIJSXTNUMST-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB C[C@@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(F)cc1 3389010 JMAPPVRPHUKROF-CHWSQXEVSA-N 312.344 3.342 0 40 DGAB Cc1ccccc1NC(=O)COc1ccc(/C=C\[N+](=O)[O-])cc1 409007258 NHIAUNZLVGUYNE-KHPPLWFESA-N 312.325 3.260 0 40 DGAB CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 3486649 JHIHAKSGOJGXCV-KSSFIOAISA-N 317.429 3.282 0 40 DGAB Cc1ccc(OCC(=O)Nc2nnc(-c3ccco3)s2)cc1 17249762 QWYBBZMMHXLQTO-UHFFFAOYSA-N 315.354 3.124 0 40 DGAB Cc1sc2nc(CC(=O)c3cccs3)[nH]c(=O)c2c1C 48412404 CAUBPMSIBBWABE-UHFFFAOYSA-N 304.396 3.088 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)[nH]c2c1 69922635 VXOQKDFYZLYJLJ-MRXNPFEDSA-N 322.412 3.459 0 40 DGAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1 5062012 HUSLVRHXOCPGQV-SNVBAGLBSA-N 319.744 3.230 0 40 DGAB CCOC(=O)C(=CNc1cc(Cl)ccc1C)C(=O)OCC 4551325 YUFJLWJCGOMGIF-UHFFFAOYSA-N 311.765 3.070 0 40 DGAB Cc1ccc(C)c(NC(=O)COc2ccc3c(c2)OCCO3)c1 8987202 JBJCCLBDFMRZKZ-UHFFFAOYSA-N 313.353 3.092 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 30754254 VKMUOQIYWITBLA-MRXNPFEDSA-N 305.399 3.125 0 40 DGAB COc1ccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1 5818441 CIDLANNEWKSGLF-ZDUSSCGKSA-N 321.380 3.400 0 40 DGAB O=C(CNc1ccccc1N1CCCCC1)NCc1ccccc1 15123222 NXRZGEZLUVOMQY-UHFFFAOYSA-N 323.440 3.405 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(N)s2)cc1 7535772 ARLZVFKUKLVEHP-SECBINFHSA-N 322.459 3.363 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)s1 7776674 UCZWDFZZRUOBFG-LURJTMIESA-N 315.370 3.244 0 40 DGAB Cc1occc1C(=O)OCc1cc(=O)oc2c(C)c(O)ccc12 7850726 LHQJEDHNYUOISZ-UHFFFAOYSA-N 314.293 3.065 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3cccs3)cc2NC1=O 8016002 FCIGLFOJLVWPLZ-BREXMAIKSA-N 314.366 3.119 0 40 DGAB CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)c1ccc(F)cc1 8132215 CCVLYHXIKNRWLS-VIFPVBQESA-N 322.361 3.061 0 40 DGAB COc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1C 8131773 GWRXQFNRDVQZHT-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB c1cc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)n[nH]1 93841018 ATAWCJMBYLMYLX-LBPRGKRZSA-N 302.447 3.125 0 40 DGAB O=C(C[C@H]1C=CCC1)NCCc1ccn(-c2ccc(F)cc2)n1 96431458 MQQMFCFGHQLOPG-AWEZNQCLSA-N 313.376 3.026 0 40 DGAB Cc1ncsc1COC(=O)c1ccc(-c2cnco2)cc1 71898379 YIJIOZUJVDVDFW-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB O=C(Nc1cccc2ncccc12)c1ccc(-n2cccn2)nc1 19911011 DSEYSICBTRHPAD-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB O=C(NCC1CCC1)N1CC[C@H](COCc2ccccc2)C1 89836689 KIEZVAYBEHDYBB-KRWDZBQOSA-N 302.418 3.035 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1CCCOc1ccccc1 9646903 NJHOXNBBHPKYNL-UHFFFAOYSA-N 316.401 3.100 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 25689841 YEOLZKXEXYYGLC-AWEZNQCLSA-N 324.380 3.219 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 72273763 IZPWVGNQNJGXIK-CQSZACIVSA-N 318.446 3.019 0 40 DGAB OC[C@H](CN[C@H]1CCCc2ccc(F)cc21)Cc1ccccn1 97034627 YOWIOKXKKQZEEK-LIRRHRJNSA-N 314.404 3.039 0 40 DGAB O=C(CCc1ccccn1)NC[C@H]1C[C@@]12CCc1ccccc12 87413450 MHDXMRCZSIWUJO-UZLBHIALSA-N 306.409 3.035 0 40 DGAB COCCOc1ccc(C(=O)N(C)[C@@H](C)c2ccco2)cc1 84661181 PWAPULXWCZTEGV-ZDUSSCGKSA-N 303.358 3.138 0 40 DGAB COc1ccc(NC(=O)c2cc(C)c(F)cc2F)cc1CO 95447839 NOAMZUZVVSAHJT-UHFFFAOYSA-N 307.296 3.026 0 40 DGAB C[C@H](C(=O)Nc1n[nH]c2c(Cl)cccc12)C1CCOCC1 95440000 UGGOZAHPYJMOKM-VIFPVBQESA-N 307.781 3.218 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1nnc(CC(C)C)o1 76046915 VESPOAAOWHJMKF-JSGCOSHPSA-N 317.437 3.213 0 40 DGAB O=C(COc1ccccc1O)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 95430589 RZXJRKVGKBGIPC-ZIAGYGMSSA-N 317.772 3.097 0 40 DGAB CC(=O)c1csc(C(=O)N[C@@H](C)[C@@H]2COc3ccccc32)c1 95438296 JCGGKQSGNLYZIT-HZMBPMFUSA-N 315.394 3.245 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCCC[C@H]3C)c12 27984917 KDSKQDKLUAVVJA-LLVKDONJSA-N 312.417 3.169 0 40 DGAB Cc1cccn(CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)c1=O 95984478 BQQPUWJQCZXFMI-CQSZACIVSA-N 324.380 3.123 0 40 DGAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCc2c(F)cccc2Cl)C1 1548946605 DILBTRRNPLLEMR-IAQYHMDHSA-N 323.799 3.207 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)cn1 519183498 RANGBRBURJUNRK-CYBMUJFWSA-N 317.316 3.144 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3ccsc3)ccc21 38706789 XBZQCRJMCYDPTN-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB COc1ccc([C@H](CO)N(C)Cc2cccc3cccnc23)cc1 79091278 UEMILVPRHIJXTG-IBGZPJMESA-N 322.408 3.409 0 40 DGAB COc1cc(OC)c2cc(C(=O)O)n(Cc3ccccc3)c2c1 71976875 KSRSRTCMBPKTRV-UHFFFAOYSA-N 311.337 3.405 0 40 DGAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)cn1 565817065 CXAQOYMYMGKSCX-QGZVFWFLSA-N 313.376 3.324 0 40 DGAB CCCCNC(=O)CSc1nc2cc(Cl)ccc2n1C 46882438 RRKSMTWYFLOZHS-UHFFFAOYSA-N 311.838 3.235 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C 222771246 RSXHJKUBJQPHNN-HUUCEWRRSA-N 300.431 3.019 0 40 DGAB CC(C)N(C)C(=O)NC[C@H]1CCCC[C@H]1OCC(F)(F)F 86402916 GQVAYLNDQAGFSP-VXGBXAGGSA-N 310.360 3.174 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)c1ccc2nc(Cl)ccc2c1 81796389 AAXWPPSODAFEMK-MNOVXSKESA-N 306.793 3.025 0 40 DGAB Cc1nnsc1C(=O)Nc1cc(-c2ccco2)ccc1F 225418201 UFYGRGZSETVOPL-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(C)c(Cl)c2)cc1 224115587 TTWCTMMIMKBWIO-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CSc1c(Cl)cccc1NC(=O)NCc1nccn1C 96435386 BTCADMIWCPLITQ-UHFFFAOYSA-N 310.810 3.117 0 40 DGAB O[C@H](CN(Cc1ccccc1)c1ncccn1)c1cccs1 96483174 KGFGCWIBPDRSCE-OAHLLOKOSA-N 311.410 3.278 0 40 DGAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4sccc4C)C[C@H]3O2)no1 96046192 LRYVKTNQGVHGEG-BFHYXJOUSA-N 319.430 3.100 0 40 DGAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCCC1 96276215 UMGFWPMXTUNXSS-UHFFFAOYSA-N 305.765 3.196 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccc(F)cc2)CC1 98213805 QMZCKURPFXLGRL-UHFFFAOYSA-N 322.424 3.344 0 40 DGAB CO[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccc(C)s1 96104673 XRCJPJMCMVECHD-AWEZNQCLSA-N 307.390 3.242 0 40 DGAB COC(=O)c1ccc(OC)c(C(=O)Nc2c(F)cccc2F)c1 95080547 VELLMBJRASNGLO-UHFFFAOYSA-N 321.279 3.012 0 40 DGAB CN(C)[C@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96079172 QOUUJTNXOHVZQR-KRWDZBQOSA-N 308.429 3.021 0 40 DGAB Cc1c[nH]c([C@@H]2CN(Cc3ccc(Cl)c(F)c3)CCO2)n1 257231358 GGINBEKOCOULQZ-AWEZNQCLSA-N 309.772 3.084 0 40 DGAB c1c[nH]c(-c2nccnc2[C@H]2CCCN(C3CCCCC3)C2)n1 257224643 FCRRTEXNRXDKBA-AWEZNQCLSA-N 311.433 3.379 0 40 DGAB C[C@@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccoc1C1CC1 585122428 DOVHSPATZAMCLI-LLVKDONJSA-N 310.353 3.140 0 40 DGAB CC[C@@H](C)n1ncc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)c1C 390833677 LIAPWPCHNYRWNO-VXGBXAGGSA-N 308.426 3.194 0 40 DGAB COCC[C@H]1CN(C(=O)CC2=CCCCC2)Cc2cccn2C1 585095538 VTOTYIZZDYQNJD-QGZVFWFLSA-N 316.445 3.374 0 40 DGAB O=C1NCCCC[C@H]1SCc1coc(-c2ccccc2)n1 78555666 JSWRCPSABOJHKS-CQSZACIVSA-N 302.399 3.244 0 40 DGAB COc1ccccc1CNC(=O)CCOc1ccc(C)c(C)c1 13014761 SHJRALADZDEOKV-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1ccc(Cn2c(C)cc(=O)n3c4ccccc4nc23)cc1 13636966 PMBWNHMSWYOOSC-UHFFFAOYSA-N 303.365 3.314 0 40 DGAB COc1cc2c(cc1OC)[C@@H](CNC(=O)/C=C/c1ccccc1)C2 1564834 HWLXMCMRERXUQW-ROJDOSBLSA-N 323.392 3.173 0 40 DGAB C[C@@H](Cc1nc(-c2ccnn2C)cs1)n1cc(Cl)cn1 585090653 IYBNOYAVMPCISR-VIFPVBQESA-N 307.810 3.197 0 40 DGAB CCCCc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14161961 QZQXXMQKYCOYDA-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)sc1C(=O)O 37404773 OAMXVBXPWKWNSV-SNVBAGLBSA-N 305.355 3.161 0 40 DGAB C[C@H](c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1 1776008264 AWHYCCGCZKVWOZ-CYBMUJFWSA-N 301.365 3.220 0 40 DGAB CC(C)C(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38666453 FJUAWRNBAMVRAV-LLVKDONJSA-N 305.403 3.160 0 40 DGAB COc1cccc(COC(=O)c2cncc(Br)c2)c1 32963794 SBEWNQLPBOEBDO-UHFFFAOYSA-N 322.158 3.210 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 40088268 VEKHADISTHNFHX-MRXNPFEDSA-N 319.408 3.298 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 69580 UUVBXPLDTFUHNK-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB O=C(c1cccs1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40481274 YUNYBSQKOHQVMJ-GFCCVEGCSA-N 316.430 3.043 0 40 DGAB Cc1cc(C(=O)CCC(=O)NCc2cccnc2)c(C)s1 7981365 PDVUTYPCKUMUGJ-UHFFFAOYSA-N 302.399 3.039 0 40 DGAB [O-][n+]1c2c([n+]([O-])c(-c3ccccc3)c1-c1ccccc1)CCCC2 2275482 PIXBMAZGQLWBLL-UHFFFAOYSA-N 318.376 3.166 0 40 DGAB CC(C)C(=O)NC(=S)Nc1nc2ccc(Cl)cc2s1 3314877 WWMHHNDNJISCDQ-UHFFFAOYSA-N 313.835 3.419 0 40 DGAB O=c1c(-c2nc(-c3ccccc3F)no2)c[nH]c2ccccc12 20738523 SGGIXSPTVQJLNQ-UHFFFAOYSA-N 307.284 3.384 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1OC 4714041 ZXEWCFASUIMAJJ-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB COc1ccc(S(=O)(=O)N2CCC[C@H](C)C2)c2ccccc12 32401072 NIIUMPLFCILAPN-ZDUSSCGKSA-N 319.426 3.269 0 40 DGAB Cc1ccc(C2=NN(C(=O)[C@H]3CCCO3)[C@@H](c3ccco3)C2)cc1 385986 OUPZKVPAJKDOHG-SJLPKXTDSA-N 324.380 3.445 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)Cc1ccccc1O 72067513 VGZMQOMCXQPHHS-UHFFFAOYSA-N 304.777 3.293 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1 29795974 VKUNYQWHQWAYFY-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1 10670431 RGKKOGROWILRQJ-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccccc2)CC1 9062538 ACHAGXCFPCJKQR-QXAKKESOSA-N 312.457 3.203 0 40 DGAB COc1ccc(CCC(=O)N2CCC[C@@H]2c2cc(C)on2)cc1 21718858 FOMPDSRUOXLGOW-QGZVFWFLSA-N 314.385 3.288 0 40 DGAB CCCC1CCC(CN[C@H]2CCc3nc(CC)nn3C2)CC1 89949976 BPDQEYZMIRUDNC-GPANFISMSA-N 304.482 3.351 0 40 DGAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CCC4)N2)cc1 525660 XCOZGOCQEYYNBO-AWEZNQCLSA-N 300.383 3.100 0 40 DGAB CC(=O)c1cc(C(=O)NCC2(c3ccccc3)CCC2)n(C)c1 42038438 HHFCEUPTBUGBPR-UHFFFAOYSA-N 310.397 3.079 0 40 DGAB Cc1ccc(C(=O)CCC(=O)N[C@@H](C)c2ccncc2)s1 22621952 BJIUXKZEFBFVJP-LBPRGKRZSA-N 302.399 3.292 0 40 DGAB Cc1noc(C)c1CN1CCC[C@@H]1c1c(C)nn(C)c1Cl 75604970 ODKBYMYOAYFLJU-CYBMUJFWSA-N 308.813 3.324 0 40 DGAB O=C(CCc1ccccc1O)NC1CCN(c2ccccc2)CC1 54220072 PVBYXPCSYJSSIT-UHFFFAOYSA-N 324.424 3.110 0 40 DGAB Cc1cc(OCC(=O)N[C@H](C)c2cccc3ccccc23)no1 23433838 WDFQBUQANNUQLV-CYBMUJFWSA-N 310.353 3.392 0 40 DGAB C[C@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccn1 23675458 MYVLQGOAUNKBJF-MAUKXSAKSA-N 322.408 3.325 0 40 DGAB CC(C)Cc1ccc([C@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1 12401498 JGBGRKVWIMSUHP-YOEHRIQHSA-N 318.461 3.005 0 40 DGAB C[C@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 24518770 AWFFVOJLQXWTFV-SCLBCKFNSA-N 312.388 3.496 0 40 DGAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106523881 FOTRPQNJJTWSOL-YEWFCNIMSA-N 323.440 3.356 0 40 DGAB CCC[C@@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1 61855967 PSMAVTBRELJEKL-OAHLLOKOSA-N 319.449 3.104 0 40 DGAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(F)c1 101276554 BBYJBTBQEAOZEU-CQSZACIVSA-N 318.735 3.223 0 40 DGAB O=C(O)CC[C@@H]1CCCN(Cc2ccc(Br)o2)C1 43585485 GEYJSDVVVBOJRW-JTQLQIEISA-N 316.195 3.119 0 40 DGAB C[C@@H](NC(=O)Cc1cc(Cl)c2c(c1)OCCO2)c1ccco1 25460712 DPSRPLSZQXZOJK-SNVBAGLBSA-N 321.760 3.124 0 40 DGAB COc1ccccc1NC(=O)NCc1ccc(-n2ccnc2)cc1 66888115 PDIUVIAITHHWDN-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 27584286 OGSAGAZKMSPMJL-OAHLLOKOSA-N 318.417 3.454 0 40 DGAB COc1ccccc1[C@@H]1CC(c2ccsc2)=NN1C(C)=O 58268769 RBKWUTQEERQCMD-HNNXBMFYSA-N 300.383 3.454 0 40 DGAB Cc1nc(COc2ccccc2C(=O)Nc2ccccc2)no1 12687297 CFOHUOHBRVDDJX-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB Cc1cccc(-n2ccnc2S[C@@H]2CCCCNC2=O)c1C 10989672 CENWKXPZXWJKCU-OAHLLOKOSA-N 315.442 3.250 0 40 DGAB O=C(Cc1cccc(F)c1)OCc1nc(-c2ccccc2)no1 12752242 DSEOOJBTFFBMRS-UHFFFAOYSA-N 312.300 3.162 0 40 DGAB C[C@@H](NCc1csc(-c2ccccn2)n1)[C@@H](C)n1cccn1 69368497 MFRBMADNYULVNY-CHWSQXEVSA-N 313.430 3.141 0 40 DGAB CSc1nc(C)c(CCC(=O)Nc2ccccc2O)c(C)n1 12928048 JLOIDAYTOROPLX-UHFFFAOYSA-N 317.414 3.092 0 40 DGAB CS[C@@H](C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 48942673 SFFOGWATEBMKCD-VIFPVBQESA-N 312.822 3.157 0 40 DGAB C[C@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 63193304 NCTFUGXKQYIQQV-GWCFXTLKSA-N 300.324 3.047 0 40 DGAB OC1=N[C@@H](c2cc(Br)cs2)N2CCCC[C@@H]12 65531457 HMQQGYVELSTUEQ-WCBMZHEXSA-N 301.209 3.334 0 40 DGAB CCCOC(=O)c1cc2cc(Br)ccc2oc1=O 4537089 WXJPCKRFBNNQFM-UHFFFAOYSA-N 311.131 3.122 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](n2cccn2)C1 65625374 XFQYSNTXLWFQHI-AWEZNQCLSA-N 315.442 3.301 0 40 DGAB CC(C)CNC(=O)COc1ccc2c(C(C)C)cc(=O)oc2c1 5466494 NAUGTGGRXKEQEB-UHFFFAOYSA-N 317.385 3.067 0 40 DGAB CN(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)c1ccccc1 69532358 LJANSRPUWBULAB-UHFFFAOYSA-N 318.380 3.421 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCCC[C@@H]3C)n[nH]2)cc1 6942451 XRFKWSJCKCTHFD-ZDUSSCGKSA-N 313.401 3.490 0 40 DGAB C[C@@H](SC1=NCCS1)C(=O)Nc1ccc2c(c1)CCC2 15642280 BAKHZERNDVTKMU-SNVBAGLBSA-N 306.456 3.338 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O 16074825 AKGPYHXWYUAVIS-CRAIPNDOSA-N 323.481 3.059 0 40 DGAB O=c1[nH]c(Cc2cccnc2)nc2scc(-c3ccco3)c12 77491351 AOQNVOSYKGUERB-UHFFFAOYSA-N 309.350 3.230 0 40 DGAB Cc1cc(NC(=O)[C@H](C)OC(=O)c2ccc3ccccc3c2)no1 9315274 CHIFIXHDVYEOGV-LBPRGKRZSA-N 324.336 3.320 0 40 DGAB CC/C=C(\C)C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 96298485 RVCZYACSMXKJQP-UEIWYUPXSA-N 305.393 3.454 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)cn1 71796713 MBRMBQQRWHBJAL-ZACQAIPSSA-N 313.376 3.026 0 40 DGAB CSc1ccc(CNC(=O)N(CC(C)(C)O)C(C)C)cc1 96483805 WKJRIJBUOMUQIR-UHFFFAOYSA-N 310.463 3.099 0 40 DGAB C[C@@H]1SCCN(C(=O)c2csc(-c3ccoc3)n2)[C@H]1C 71911100 NAVKGFANBGAHIZ-UWVGGRQHSA-N 308.428 3.369 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)[C@H](C)Cc3cccs3)C2)no1 72295335 FTWBECJBCIHMJX-DGCLKSJQSA-N 319.430 3.024 0 40 DGAB COc1cc(C(=O)N(CC(F)F)c2cccc(Cl)c2)on1 97108946 REGMNBSYYQNBLZ-UHFFFAOYSA-N 316.691 3.249 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccccc2C(C)=O)c1 72879761 WMHYCAQQEXUECK-LBPRGKRZSA-N 324.380 3.339 0 40 DGAB CCC(=O)N1CC[C@H](N[C@@H]2CCCSc3ccccc32)C1 95423870 QDKINYMPRFGIRF-DZGCQCFKSA-N 304.459 3.214 0 40 DGAB CCc1nnc([C@@H](C)N(C)Cc2ccccc2N2CCCC2)o1 95978474 NIGFKZITGDICPK-CQSZACIVSA-N 314.433 3.425 0 40 DGAB COC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 38026061 FXOQJNFOCYPSPI-NSHDSACASA-N 313.756 3.037 0 40 DGAB CC(C)c1ccc2nc(Cc3ccc(C(N)=O)cc3)nc(O)c2c1 519938141 RJXRFQKBBDINLG-UHFFFAOYSA-N 321.380 3.149 0 40 DGAB Cc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O 36635492 YCLHZBLMVPASRX-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O 32652042 BSSOIWTVBJTZQV-AWEZNQCLSA-N 320.392 3.279 0 40 DGAB Cc1cc(O[C@@H](O)Cn2cnc3ccccc32)ccc1Cl 76555325 DQSRJLNAXNYDRH-MRXNPFEDSA-N 302.761 3.396 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-n2cccn2)cc1 75347080 KCXNXXPUZPOGRW-MFKMUULPSA-N 324.211 3.243 0 40 DGAB Cc1cc(F)ccc1[C@@H]1CCCN1C(=O)c1cnn2ncccc12 564539099 TVVUYGQWRQLDTH-INIZCTEOSA-N 324.359 3.154 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccccn1)c1cccs1 71195632 LSYVOIKVPDXCRF-ZDUSSCGKSA-N 324.409 3.136 0 40 DGAB Cc1cc(NCCN(C)C)n2nc(C)c(-c3cccs3)c2n1 72341688 MVHUBAVUEBSXPA-UHFFFAOYSA-N 315.446 3.048 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 222987864 ZFYUIWQCIUODIH-JKSUJKDBSA-N 314.458 3.491 0 40 DGAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccc(Cl)cc1 44259649 IRGPAWDZYNQBRU-UITAMQMPSA-N 317.772 3.426 0 40 DGAB Fc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42773535 BRALKCHOHFHKAK-JTQLQIEISA-N 302.187 3.357 0 40 DGAB CCOC(=O)c1cc(N)ccc1Nc1ccc(OC)cc1OC 225480657 UNGCZOMSTUAVQI-UHFFFAOYSA-N 316.357 3.206 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)NC3CCCCC3)c2c1 225753471 XGXCCXAWGIOWIY-UHFFFAOYSA-N 312.413 3.067 0 40 DGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccn1 224555546 ZJFRZLCPYLDXQU-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCOc2ccc(F)cc2)c1 224392506 DZUZYHPWWQCNLD-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB Cc1nc(O)c(C(=O)NCc2cccnc2)cc1-c1ccccc1 530685730 DQYAOHZMSKFQIU-UHFFFAOYSA-N 319.364 3.088 0 40 DGAB COc1cc(CNC(=O)[C@H]2CC23CCCC3)c2ccccc2n1 530615877 ZVRMCHGTWWFOBA-OAHLLOKOSA-N 310.397 3.440 0 40 DGAB C[C@H](CO)N[C@@H](c1ccc(Br)cc1)c1ccco1 97234071 HBXQXDDKKSURLU-YGRLFVJLSA-N 310.191 3.102 0 40 DGAB CC(C)SCc1cccc(NC(=O)NCc2nccn2C)c1 96435207 IAOMQWAORAYNSS-UHFFFAOYSA-N 318.446 3.383 0 40 DGAB CC[C@H]([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96519461 ILVSTMBVXONYCK-IAGOWNOFSA-N 304.411 3.210 0 40 DGAB CCOC(=O)c1c(NC(=O)OC(C)(C)C)ccc(F)c1F 143528664 NEDHMVBVZLFIOQ-UHFFFAOYSA-N 301.289 3.489 0 40 DGAB Cc1nc(COCc2cnc3n2CCN(C(C)C)[C@H]3C)cs1 96206018 YHJDUCCSAGXNMX-LBPRGKRZSA-N 320.462 3.150 0 40 DGAB COc1ccc(C[C@H]2CN(Cc3ccco3)CC[C@H]2OC)cc1 96110231 ZPOMTPPZFHFOCM-QFBILLFUSA-N 315.413 3.368 0 40 DGAB C[C@@H](CC(=O)Nc1nc2ccsc2s1)c1cnn(C)c1 580406716 WTHXQWLRMKCQJN-QMMMGPOBSA-N 306.416 3.224 0 40 DGAB Cc1nc(-c2ccc(N3CCC[C@@](C)(F)C3)nc2)nc(O)c1C 583912565 BIELSWWLMCXGDL-QGZVFWFLSA-N 316.380 3.189 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cnccn1 257214635 CMRWGKPHYWPKIK-GOSISDBHSA-N 307.397 3.333 0 40 DGAB CC(C)(NC(=O)N[C@H](CCCO)c1ccccc1)C(F)(F)F 585119803 VCDVDMWZCJGAGK-GFCCVEGCSA-N 318.339 3.140 0 40 DGAB Cc1cccnc1NC(=O)c1ccn(-c2ccccc2Cl)n1 50582563 YKMYQHRXSOLDOR-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1 69660996 NPZZFCOEJRWNFA-HNNXBMFYSA-N 309.369 3.415 0 40 DGAB CSC[C@@H](C)C(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 71910575 FUMOERGXSUVHMO-CZUORRHYSA-N 306.475 3.415 0 40 DGAB Cc1cc(C)n(C[C@@H](C)NC(=O)c2cc3cc(F)ccc3o2)n1 71910526 CJXPOTBMNUZQNN-LLVKDONJSA-N 315.348 3.204 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)c2cccnc2NC(C)C)C1 74120100 UNNCUHUDILLQKC-CHWSQXEVSA-N 307.463 3.258 0 40 DGAB Cc1ccc(N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)nn1 585234499 YEFGNIPFCZXIEK-INIZCTEOSA-N 324.428 3.257 0 40 DGAB N#C/C(=N/Nc1ccccc1Cl)C(=O)N1CCCCCC1 2320918 LXOHUTPQPSVNEB-RGEXLXHISA-N 304.781 3.034 0 40 DGAB CCOc1ccc2oc(C(=O)NC[C@H]3CCCO3)c(C)c2c1 12869362 KKIJHNYCGXBVKG-CYBMUJFWSA-N 303.358 3.049 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)CCCN2 20431785 PYDZQCFKURUVBC-UHFFFAOYSA-N 322.817 3.499 0 40 DGAB CCSc1nnc(NC(=O)c2ccc(OC)c(F)c2)s1 14119149 NPJVQUOTNOHCKH-UHFFFAOYSA-N 313.379 3.050 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)c3c(F)cccc3F)ccc21 9827717 PFZXIYAQURGLSY-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB CCCCc1[nH]c(SCC(=O)Nc2cc(C)ccn2)nc1C 15083741 IZCCAEMABYPOCT-UHFFFAOYSA-N 318.446 3.495 0 40 DGAB CCCn1/c(=N/C(=O)C(C)(C)C)sc2cc3c(cc21)OCO3 101061470 QRDHFMCANPFYLF-ICFOKQHNSA-N 320.414 3.315 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1cccnc1 40119861 VLVRJVLGYFVTNG-OAHLLOKOSA-N 313.401 3.496 0 40 DGAB COc1cccc2c1N(Cc1noc(C(C)(C)C)n1)CCC2 40153987 LNZLWPIBMLZWCN-UHFFFAOYSA-N 301.390 3.329 0 40 DGAB Cc1n[nH]c(-c2ccc(NC(=O)Cc3cccc(F)c3)cc2)n1 50897369 SAWFBPKRRNTUAL-UHFFFAOYSA-N 310.332 3.100 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](O)c2ccccc2F)c1C 40525339 JNKDSLBBTGJKEO-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB CC[C@@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1 16694804 QJGQHRWBRGGCJI-OAHLLOKOSA-N 307.397 3.383 0 40 DGAB C[C@@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1 8197578 XTDAOFUBDVFHAE-VIFPVBQESA-N 312.291 3.156 0 40 DGAB Cn1cc(-c2nc(-c3ccc(F)cc3)no2)c(=O)c2ccccc21 20726942 GIIRFUKMRQIOAL-UHFFFAOYSA-N 321.311 3.395 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)N[C@@H]1CCSc2ccccc21 32339886 XQCMZHIOMZYPAJ-GXSJLCMTSA-N 319.348 3.307 0 40 DGAB C[C@@H]1CC[C@H]2C(=O)N(CNc3cccc(Cl)c3)C(=O)[C@H]2C1 102071062 GHTCTQKZYZCPNA-HONMWMINSA-N 306.793 3.131 0 40 DGAB c1coc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107711921 AXHWVVFYWPBOKW-ROUUACIJSA-N 305.418 3.077 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2C)nc1C 2653896 WJMLTBLZCPXAOV-UHFFFAOYSA-N 318.398 3.497 0 40 DGAB Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1F 529890 WCZGKJGEPPQKQD-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB CCNC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 11922045 JDOXAGRNELIJBN-UHFFFAOYSA-N 305.381 3.348 0 40 DGAB CC(C)=CC(=O)OCC(=O)N1CC[C@@H](C)Sc2ccccc21 22747244 OFXAEVJODOSEGD-CYBMUJFWSA-N 319.426 3.413 0 40 DGAB CCCN1C(=O)N[C@@H](c2ccccc2Cl)C(C(=O)OC)=C1C 24834335 WJWFCCCHMAGUJD-AWEZNQCLSA-N 322.792 3.263 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 104624535 BGCODIHFSIVSQR-KCQAQPDRSA-N 300.402 3.153 0 40 DGAB O[C@](CCN1CCOCC1)(c1ccc(Cl)cc1)C1CCCC1 26958549 ADCAHIAYVYLHND-SFHVURJKSA-N 323.864 3.440 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2cccs2)cc1OC 23435722 JHOSKNRVYHHGLR-NSHDSACASA-N 305.399 3.185 0 40 DGAB COc1ccc([C@H](C)NCc2cccc3c2OCCO3)cc1F 42796646 NOFMNCSGFNZMGD-LBPRGKRZSA-N 317.360 3.456 0 40 DGAB CC(C)NC(=O)Nc1cccc(NC(=O)CC[C@H]2CCCO2)c1 24550384 YDLXNFGVFWDRDN-OAHLLOKOSA-N 319.405 3.114 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1cc(Br)c[nH]1 37494846 IPRBJYQSENWDSK-NSHDSACASA-N 321.174 3.031 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H](c3nccs3)C2)cc1 114741919 UAEXJTOEJBVPJK-CYBMUJFWSA-N 322.455 3.020 0 40 DGAB CCCCOC(=O)c1ccc(-n2nc3cc(C)c(N)cc3n2)cc1 57353833 YQEFZCMULPZYEW-UHFFFAOYSA-N 324.384 3.268 0 40 DGAB O=S(=O)(Nc1ccccc1O)c1ccc(Cl)cc1Cl 107552114 MRUQTZGDSGRGJW-UHFFFAOYSA-N 318.181 3.500 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 101275509 DFEKTRZFLRGONN-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CC1CCN(CCCNC(=O)c2nccc3ccccc23)CC1 58006044 RJJCUCBSNNDMLE-UHFFFAOYSA-N 311.429 3.087 0 40 DGAB Cc1ccc(C(=O)N2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 58142485 MAFIBFAFBINHFL-HNNXBMFYSA-N 316.445 3.008 0 40 DGAB CN(CCCNC(=O)c1ccc2ccccc2n1)c1ccccc1 10237647 XISUXFVKTJTOLU-UHFFFAOYSA-N 319.408 3.491 0 40 DGAB CC[C@@H](C)n1c(S[C@H]2CCOC2=O)nnc1-c1ccccc1 58202526 YTGBKKQQUACMQK-YPMHNXCESA-N 317.414 3.324 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N(C[C@H]1CCOC1)C1CC1 44941394 XXPYALKTHOHCFC-LLVKDONJSA-N 318.398 3.044 0 40 DGAB CCCCCOc1ccc(CSc2nnc(C)n2N)cc1 2276351 LCTOZLNJMFGYEH-UHFFFAOYSA-N 306.435 3.162 0 40 DGAB CCNC(=O)c1cccc(CNC(=O)c2ccc(Cl)cc2)c1 36390709 AIGCEQSWIFUZFY-UHFFFAOYSA-N 316.788 3.020 0 40 DGAB OCCNc1nc2ccccc2n1Cc1ccc(Cl)cc1 12697889 FZEVOMSXUPCHJH-UHFFFAOYSA-N 301.777 3.142 0 40 DGAB O=C(Oc1ccc(-c2ccnc3ncnn23)cc1)c1ccccc1 22607211 ICVAAZVIFGWKSQ-UHFFFAOYSA-N 316.320 3.011 0 40 DGAB O=S(=O)(CCNCc1cccc(Cl)c1)Cc1ccccc1 48362804 OBEJPHYYHFGCPT-UHFFFAOYSA-N 323.845 3.045 0 40 DGAB Cc1cccc([C@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 48354102 YYKCVKUINFMAOF-FUHWJXTLSA-N 300.446 3.390 0 40 DGAB O=C(O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 13175829 IDRSQNRIKMTWKX-TZMCWYRMSA-N 307.777 3.328 0 40 DGAB CC(C)CCn1cnc2c(oc3nc4c(cc32)CCCC4)c1=O 13135601 XXDGXRKCWRAWRC-UHFFFAOYSA-N 311.385 3.463 0 40 DGAB O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccc(F)cc1 38580538 YSOYIRVLNFPVDR-OAHLLOKOSA-N 317.316 3.268 0 40 DGAB COc1cc(/C=C/C(=O)NC2CCCC2)ccc1OC(F)F 6078681 LMJHROGNABSLOG-VQHVLOKHSA-N 311.328 3.369 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCc1ccsc1 13725099 ANTPZBHAAGEDSZ-UHFFFAOYSA-N 301.820 3.021 0 40 DGAB CC(C)c1ccc(C(=O)NCCNC(=O)c2cccs2)cc1 8401586 CYBAFJDNLZFOAD-UHFFFAOYSA-N 316.426 3.031 0 40 DGAB COCc1nc(C(=O)N2CCCc3c(C)cc(C)cc32)cs1 65623513 ZUZHKDWUMYJLQO-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB O=C(OCc1nccn1C(F)F)c1ccc2ccccc2n1 8750988 IUBJQBCHLDBLMG-UHFFFAOYSA-N 303.268 3.183 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2nnc(C(C)C)s2)c1 5697694 VQIWNWFGTLWHRT-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB O=C(Nc1ccc(F)cc1F)N1CCn2c1nc1ccccc12 8725209 FDBFYPUJAGGDRF-UHFFFAOYSA-N 314.295 3.367 0 40 DGAB COCCNC(=S)Nc1ccc(Oc2ccccc2)cc1 6790368 VORYZLLABMYNQZ-UHFFFAOYSA-N 302.399 3.412 0 40 DGAB Cc1ccccc1OCC(=O)Oc1ccc2c(C)cc(=O)oc2c1 4945052 XIZTTYNBUIZGIZ-UHFFFAOYSA-N 324.332 3.394 0 40 DGAB O=C1OC(c2cccc(F)c2)=N/C1=C/C1=Cc2ccccc2OC1 96019599 UZVRGYPHBVJMEB-CXUHLZMHSA-N 321.307 3.489 0 40 DGAB CCc1ncc(C(=O)N2CCO[C@H](c3ccc(F)cc3)C2)s1 71830990 QODQPLCCZPCWSY-ZDUSSCGKSA-N 320.389 3.058 0 40 DGAB Cc1c(C(=O)NC2(c3ccc(Cl)c(Cl)c3)CC2)cnn1C 71840968 ULQGYXRKHBKDSN-UHFFFAOYSA-N 324.211 3.454 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)Nc1cnn(CC(F)(F)F)c1 71921451 QVXDYXLPVVTLFW-UHFFFAOYSA-N 320.221 3.368 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1c1ncnc2c1CCC2 72276559 HNCBILYVLNEJDS-ZDUSSCGKSA-N 317.824 3.002 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 97039555 ZUPCUVKGFQTZPK-AWEZNQCLSA-N 323.820 3.376 0 40 DGAB CCCOc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1 97050553 MTIDCXUPMOQPLE-UHFFFAOYSA-N 310.357 3.009 0 40 DGAB Cc1ncsc1CNc1nnc([C@H]2Cc3ccccc3O2)o1 97045482 RUWLEJNSIQVHSA-GFCCVEGCSA-N 314.370 3.123 0 40 DGAB C[C@H](Cc1cccs1)C(=O)N(C)Cc1ccc(C(=O)O)cc1 97018551 WMJXVEFKZWVGNB-GFCCVEGCSA-N 317.410 3.284 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@H]1CC=CCC1 75602233 HJILJVSQZCZIAC-QWHCGFSZSA-N 307.825 3.402 0 40 DGAB C[C@H](O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 97232744 KISOVGAVUOGDDB-ZDUSSCGKSA-N 324.380 3.119 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)Cc1cccnc1 97233758 KZPHUXZCAKIQGF-MRXNPFEDSA-N 312.417 3.108 0 40 DGAB O=C(/C=C/c1cnccn1)Nc1cccc(CN2CCCCC2)c1 84374349 OAPWKABUUKLUTP-BQYQJAHWSA-N 322.412 3.114 0 40 DGAB Clc1ccc2nc(CNc3cccc(-c4nc[nH]n4)c3)cn2c1 84374484 ZRJLRHSSQZZFFZ-UHFFFAOYSA-N 324.775 3.385 0 40 DGAB CSC[C@@H]1CCN(C(=O)c2cc(C)ccc2-n2ccnc2)C1 76083927 QYZLJJRBRXVHBG-CQSZACIVSA-N 315.442 3.006 0 40 DGAB Cc1noc2ncc(NC(=O)c3ccc(O)c(Cl)c3)cc12 95406943 FUUYXFNPIBOJOA-UHFFFAOYSA-N 303.705 3.143 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cccc(CO)c1 78384869 APTFVHGXMCVYAU-HZPDHXFCSA-N 322.474 3.042 0 40 DGAB Cc1cc(C(=O)N(c2cccnc2)C(C)C)ccc1-n1cncn1 78985623 GSSMEGIFZMOIHH-UHFFFAOYSA-N 321.384 3.026 0 40 DGAB CCc1ccc(CS[C@H]2CCN(C3CCOCC3)C2=O)cc1 89284879 LZLYSSLSEDLGIK-KRWDZBQOSA-N 319.470 3.262 0 40 DGAB COc1ccc(/C=C/c2cc(C(=O)O)c3c(C)nn(C)c3n2)cc1 64876013 YAHHHXUGJVCXMT-QPJJXVBHSA-N 323.352 3.154 0 40 DGAB CCCCCN(C)c1ccc(F)cc1CNCCC(=O)N(C)C 75093196 QFOBWBYGRXVBFJ-UHFFFAOYSA-N 323.456 3.020 0 40 DGAB Cc1cccc(-c2ccc(C(=O)N(C)Cc3ccoc3)c(=O)[nH]2)c1 75121888 GWLHALCJRJEMNB-UHFFFAOYSA-N 322.364 3.216 0 40 DGAB O=C(NCCn1cnnc1C1CC1)Nc1cccc2ccccc12 75109751 OLTRQBYRYXYJRL-UHFFFAOYSA-N 321.384 3.130 0 40 DGAB CCOC(=O)CC1(N(C)C(=O)c2cnc(C)s2)CCCCC1 75146179 HAPIZPVFJARMKQ-UHFFFAOYSA-N 324.446 3.180 0 40 DGAB Cc1ccc(NC(=O)CN2CCCC[C@@H]2c2ncc[nH]2)cc1C 89643214 NJVGUGRNMYAEDD-MRXNPFEDSA-N 312.417 3.192 0 40 DGAB Cc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236214 RQLJPPAZOYYTIO-UHFFFAOYSA-N 310.328 3.238 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CNc2ccccc2N)CC1 67800738 RZQQGZABRNMVAT-UHFFFAOYSA-N 305.422 3.328 0 40 DGAB C[C@H](C(=O)N1Cc2cncnc2C1)c1ccc2ccccc2c1 1556793099 QIANBRFEQNKLIG-ZDUSSCGKSA-N 303.365 3.276 0 40 DGAB COc1ccc(C(=S)NCc2ccccc2C)c(OC)c1 408577278 SEPSSMQJKKABIC-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1ccc(OC)c(F)c1 32587683 CZWCCGAQHDWZHN-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB CCCC(=O)Nc1nc(-c2ccccc2)c(CC(=O)O)s1 31976110 XZBYVBMKUNRPOK-UHFFFAOYSA-N 304.371 3.176 0 40 DGAB C[C@H](C(=O)Nc1c2c(cc3c1CCC3)CCC2)N1CCCCC1 33889520 JSSQOQZPYZSHFN-CQSZACIVSA-N 312.457 3.477 0 40 DGAB O=C(CN1CCCCCC1=O)c1ccc(Br)cc1 27526797 UPTFHDMSRSCOOO-UHFFFAOYSA-N 310.191 3.034 0 40 DGAB C[C@@H](Sc1nc2cc(F)c(F)cc2[nH]1)c1nnnn1C1CC1 187859050 JIUURHBQIOBFKK-ZCFIWIBFSA-N 322.344 3.016 0 40 DGAB COCCNC(=O)c1ccc(Nc2ccccc2Cl)c(N)c1 225423173 CGWJEIHHFBUFIP-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB COc1cccc(O[C@@H](Cc2cc(C)ccc2C)C(=O)O)c1 225028789 QPLUTOHWPSOJDZ-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1Cc1ccco1 223331995 UKAZIRUWYZHBRJ-CVEARBPZSA-N 324.409 3.175 0 40 DGAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 225619638 NREHVUUEPUOMBI-KRWDZBQOSA-N 309.406 3.246 0 40 DGAB Cc1cccc(CC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)c1 74583981 WJJJUZOVOSKATE-QGZVFWFLSA-N 323.392 3.282 0 40 DGAB C[S@](=O)Cc1ccccc1NC(=O)CCc1cccs1 131412266 WREWNGXETZQVKJ-HXUWFJFHSA-N 307.440 3.198 0 40 DGAB FC(F)(F)c1cccc(N2CCN(Cc3ccccn3)CC2)c1 48264579 QIEWXQYFXDFSCZ-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB CC(C)CC(=O)Nc1cc(C(=O)O)ccc1Br 226354148 CVEWUOXPDRCLAZ-UHFFFAOYSA-N 300.152 3.132 0 40 DGAB Cc1c(NC(=O)[C@H](C)O[C@@H]2CCC[C@H](C)C2)cccc1C(N)=O 96407171 LAEHPRCIADXUNY-FPMFFAJLSA-N 318.417 3.016 0 40 DGAB C[C@@H](CC(=O)NC[C@@H]1CCOC1)c1ccccc1C(F)(F)F 96422304 POFXMOAYNYAXFB-RYUDHWBXSA-N 315.335 3.352 0 40 DGAB Cc1ccc(CNc2cc(C(=O)N3CCCCC3)nc(C)n2)cc1 96182854 BPQOEAMEQJRAKV-UHFFFAOYSA-N 324.428 3.332 0 40 DGAB CN(CC1CCC1)C(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 96418101 NIWYOMSDQZFRKY-MRXNPFEDSA-N 304.390 3.118 0 40 DGAB Cc1ncc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)s1 96442378 ZPURCGIWDIUNKI-ZDUSSCGKSA-N 302.399 3.135 0 40 DGAB COc1ccc(CN2CCC[C@H]2C[C@H](O)c2ccco2)cc1 91958794 RFDPTZQQZIRLQG-RDJZCZTQSA-N 301.386 3.376 0 40 DGAB Cc1ccccc1CN1CC2(C[C@@H](Oc3cccnc3)CCO2)C1 248165026 RDTDJYDEJUPGHY-SFHVURJKSA-N 324.424 3.202 0 40 DGAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CNCC1CCCCC1 245227891 XTULGTCCHMSQNX-BXWFABGCSA-N 306.494 3.487 0 40 DGAB C[C@@H](CC(=O)O)CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 582975888 RDTHLHDSOGTRET-CYBMUJFWSA-N 317.429 3.370 0 40 DGAB CCOC(=O)C[C@H](n1nc(C(F)(F)F)cc1C)C(F)(F)F 675031835 PLUSYQVADNQCHK-QMMMGPOBSA-N 318.217 3.267 0 40 DGAB Cc1noc(C)c1CNC(=O)Nc1cccc(Cl)c1N(C)C 67546462 FSCPUMCELSJGCJ-UHFFFAOYSA-N 322.796 3.333 0 40 DGAB COC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c1 69487978 BRLBNZWSAPZSGN-HNNXBMFYSA-N 313.357 3.170 0 40 DGAB C[C@H](O)CN1CCC(CN[C@H](C)c2ccccc2Cl)CC1 69493320 YBUXWZPSBLVCSU-UONOGXRCSA-N 310.869 3.083 0 40 DGAB Cn1ccnc1CN1CCCC[C@H]1c1nc(-c2ccccc2)no1 69653879 ZIASYNPKEZNCRV-HNNXBMFYSA-N 323.400 3.197 0 40 DGAB O=C(CN1CCCc2ccccc21)N1CCCc2ccccc21 159613 XNZPCWAIEDVLJY-UHFFFAOYSA-N 306.409 3.419 0 40 DGAB Cc1c(Br)c(=O)oc2c1ccc1oc(S)nc12 3849499 ICCWFOMMMRKIFF-UHFFFAOYSA-N 312.144 3.294 0 40 DGAB biogenic O=C1c2ccccc2CC[C@H]1C(O)(C(F)(F)F)C(F)(F)F 5941380 SUPUNQIGTWFZBO-SECBINFHSA-N 312.209 3.287 0 40 DGAB Cn1cc([C@@H]2CCCCCN2C(=O)c2c(F)cccc2F)cn1 12232541 ITBWJRAJPJHROK-HNNXBMFYSA-N 319.355 3.456 0 40 DGAB CCOc1ccc(-c2c(C(F)(F)F)n[nH]c2N)cc1OCC 14987936 LIAVTYYOFMYRGG-UHFFFAOYSA-N 315.295 3.475 0 40 DGAB COc1ccc(NC(=O)Nc2c(C)nc(OC)nc2C)c(C)c1 206720716 LPEZPBDWJYVGNU-UHFFFAOYSA-N 316.361 3.063 0 40 DGAB CCN(C)[C@H]1CN(C(=O)c2scnc2C)C2(CCCCC2)C1 19704927 LNDDEYLJIJCKKH-CQSZACIVSA-N 321.490 3.321 0 40 DGAB COc1cc(OC)c(C(=O)Nc2ccccc2F)cc1OC 496857 VRMXODPGGAFWNJ-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB Cc1cnccc1OCC1CCN(C(=O)C2CC(F)(F)C2)CC1 1889104456 DCFQPAADSIINJN-UHFFFAOYSA-N 324.371 3.053 0 40 DGAB Cc1ccccc1NC(=O)NC[C@@]1(O)CCCc2sccc21 1889139297 XPXWDCSVPRYYOO-KRWDZBQOSA-N 316.426 3.402 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)c2ccc(Cl)s2)c1 32028827 BDBAQNYJPOPXRE-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB O=C(NCc1nccnc1-c1cccs1)c1ccsc1 575620858 REXFIWZSZIAVMQ-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB O=C(O)[C@H]1CC[C@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 140151839 BDLDVMZWIHUIMJ-RYUDHWBXSA-N 316.382 3.250 0 40 DGAB Cc1[nH]c2ccccc2c1CC(=O)NCCCN1CCCCC1 40070165 IWEKDZYFYUUSRQ-UHFFFAOYSA-N 313.445 3.011 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)N[C@H](C)c3ccccc3)CC2=O)cc1 50538 FWKSVBIDJAPAJH-WBVHZDCISA-N 322.408 3.225 0 40 DGAB Cc1noc(C)c1COc1ccc(Br)cc1C=O 20298269 KNDGWTQCGZWPDN-UHFFFAOYSA-N 310.147 3.445 0 40 DGAB Cc1cc(C)n(CNc2nc3c(s2)C(=O)CC(C)(C)C3)n1 36865 VZOGFJVWFJJPLA-UHFFFAOYSA-N 304.419 3.181 0 40 DGAB CCOc1ccc(NC(=O)COc2cccc(F)c2)cc1OC 7973437 HEKGSQPIMXXEAO-UHFFFAOYSA-N 319.332 3.251 0 40 DGAB Cc1ccccc1NC(=O)CCn1c(=O)sc2ccccc21 245976 SQARNCDZRRRHRM-UHFFFAOYSA-N 312.394 3.400 0 40 DGAB COc1ccccc1C[C@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 249091 GKWRYRQCYVLYOF-INIZCTEOSA-N 323.392 3.434 0 40 DGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)NCCCCc1ccccc1 3096093 IXLNPBARHKASTP-HOTGVXAUSA-N 303.402 3.017 0 40 DGAB Cc1ccc(C(=O)NCCCN2CCc3ccccc32)s1 29520374 RQMFXNKUSSNRMY-UHFFFAOYSA-N 300.427 3.239 0 40 DGAB FC(F)(F)c1ccnc(Nc2ccc(N3CCCC3)nc2)n1 29520691 NOQZYXNWZYPVCD-UHFFFAOYSA-N 309.295 3.234 0 40 DGAB Cc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)s1 4944836 GCYZINPHHUIESY-NSHDSACASA-N 311.362 3.339 0 40 DGAB Cc1ccc(C2=C[C@@H](c3ccncc3)n3nc(C)nc3N2)cc1 7499324 HKMVDQCZVMRWMS-KRWDZBQOSA-N 303.369 3.346 0 40 DGAB O=C(COC(=O)c1ccc2ncsc2c1)Nc1ccccc1 2628106 CNUQOKWZSBXEFV-UHFFFAOYSA-N 312.350 3.092 0 40 DGAB Cc1ccn([C@@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)n1 2782307 DISGISANGGLHIS-NSHDSACASA-N 319.434 3.290 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2[C@@H]31 525691 DWHIPRRZWKTEEK-SFHVURJKSA-N 304.349 3.278 0 40 DGAB biogenic COC1CCN(C(=O)c2csc(-c3ccc(C)cc3)n2)CC1 53886114 LVDWDYZVQPBXAF-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB CCCn1ccc(C(=O)Nc2ccn(Cc3ccccc3C)n2)n1 28245344 RRTQQHABIMVFHS-UHFFFAOYSA-N 323.400 3.099 0 40 DGAB CCC[C@@H](C)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 16601509 BHSBQVHRTSZAOH-GFCCVEGCSA-N 300.358 3.450 0 40 DGAB CCc1nc(CN2CCN(c3ccccc3OC)CC2)cs1 42642998 MYWCGNGRUBYNJU-UHFFFAOYSA-N 317.458 3.036 0 40 DGAB C[C@@H](NC(=O)c1ccn(-c2ccccc2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 105646930 WBOVERIFEQOJAH-AESZEHBQSA-N 309.413 3.427 0 40 DGAB O=C(Cn1cnc2cc(F)c(F)cc21)Nc1cccc(F)c1 24381248 FNJAWUUFLZDAQV-UHFFFAOYSA-N 305.259 3.092 0 40 DGAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 101276500 SIYQLJFSTWWLHL-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB O=C(CN1CCCCC1)Nc1cc(C2CC2)nn1-c1ccccc1 24833468 ZUJDFCGWKYCHBB-UHFFFAOYSA-N 324.428 3.174 0 40 DGAB CCCCC(=O)Nc1nnc(Cc2nc3ccccc3[nH]2)s1 20582144 UVFIAJBGCNXQQJ-UHFFFAOYSA-N 315.402 3.134 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 25441151 GLWWRCHCIKJCPG-LLVKDONJSA-N 304.415 3.136 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cc(N2CCCC2)ccn1 25539198 OWUTXHZOIZQBED-UHFFFAOYSA-N 315.804 3.265 0 40 DGAB CC(=O)Nc1cccc(NCc2nc(-c3ccco3)no2)c1C 26784145 APIKLDDFDNRNDZ-UHFFFAOYSA-N 312.329 3.209 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1CCOC(C)(C)C1 27639523 VDXRIHLGNGUVDR-UHFFFAOYSA-N 322.455 3.431 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)NOCc1ccccc1 45039713 RYJMJTINNHFOQC-UHFFFAOYSA-N 301.390 3.117 0 40 DGAB CCCC(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 58427411 MVAJLGNYTXYAJX-UHFFFAOYSA-N 323.824 3.206 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNCc1ccco1 28297070 IVBSGDHIIAXBHH-INIZCTEOSA-N 312.413 3.310 0 40 DGAB Cc1cc(C)c(OCC(=O)Nc2nnc(C3CC3)s2)c(C)c1 3552690 WEFIJTSECXLFLS-UHFFFAOYSA-N 317.414 3.358 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C[C@@H]3C=CCC3)cc2)CC1 9157342 PBAMKAAPIOCWIF-MRXNPFEDSA-N 313.445 3.123 0 40 DGAB O=C(CCC(=O)c1ccc(Cl)cc1)O[C@H]1CCCCC1=O 6078557 PYFIQHDTLSPYCV-HNNXBMFYSA-N 308.761 3.358 0 40 DGAB CCOc1cc(C(=O)Nc2cccnc2)ccc1OC(F)F 6393495 WVOLRRJISRIMBQ-UHFFFAOYSA-N 308.284 3.334 0 40 DGAB Cc1ccnc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)c1 28235574 HBDRMKSOLHZXQW-UHFFFAOYSA-N 324.306 3.121 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2F)CC1 5394993 FRPRJYZRDHUAAE-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB C[C@H](O)CN1CCC(CN[C@H](C)c2ccc(Cl)cc2)CC1 69513951 YBHBPPGTSVCVDM-UONOGXRCSA-N 310.869 3.083 0 40 DGAB C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2cccs2)C1 65826776 VYHWMLKFAZQURS-GOEBONIOSA-N 314.454 3.242 0 40 DGAB CC[C@@H](C)NC(=O)C1CCN(CCCc2ccccc2)CC1 4691571 FENCWBAKEAQKTN-MRXNPFEDSA-N 302.462 3.246 0 40 DGAB S=C1NC2(CCCC2)N=C1c1ccc(Br)cc1 4891065 GGIPMYRPTZWBJM-UHFFFAOYSA-N 309.232 3.439 0 40 DGAB O=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)OCO2 8719340 YDUYOOVDTPYFBV-UHFFFAOYSA-N 322.364 3.190 0 40 DGAB Cc1cc(C)c(NC(=O)CN(C)CCc2ccccn2)c(C)c1 9157724 OAQLOSDWVZLQOV-UHFFFAOYSA-N 311.429 3.120 0 40 DGAB O=C(NCCOc1ncccc1Cl)c1cccc2cc[nH]c12 89807887 TXWWWKFONBJFDE-UHFFFAOYSA-N 315.760 3.025 0 40 DGAB Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@H](C(=O)O)C1 96479491 CRBGGEFONGVWSX-LBPRGKRZSA-N 322.430 3.046 0 40 DGAB CCc1cc(CNC(=O)N2CCCC[C@H]2c2cccn2C)on1 83820438 GQFHGJRPSAFJCV-INIZCTEOSA-N 316.405 3.012 0 40 DGAB CC(C)n1cc(NC(=O)N(C)C[C@H](C)c2nccs2)cn1 97107491 AAVXRABNEOGLPB-NSHDSACASA-N 307.423 3.188 0 40 DGAB O=C(NC[C@@H]1CCC[C@@H]1O)Nc1cccc(-c2nccs2)c1 76069662 IGFQICJEKGDUNN-JSGCOSHPSA-N 317.414 3.093 0 40 DGAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H]1C[C@H]1C 76018084 CLQDMMTZLAMKGV-OTYXRUKQSA-N 317.389 3.081 0 40 DGAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccncc1 72403909 HEFDFOTZHCLVCW-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB O=C(c1ccc(Oc2ccccc2)cc1)N1CCN(C2CC2)CC1 84556930 CPWDUSZYXBBHQR-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB c1ccc2c(c1)CCSC[C@H]2NCCCOC[C@@H]1CCOC1 95423023 LEPITJVDHUTJRA-MAUKXSAKSA-N 321.486 3.050 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NCCc2ccccc2F)CC1 78517720 JVMDQFXDGHTCTB-UHFFFAOYSA-N 322.424 3.357 0 40 DGAB C[C@@H](NC(=O)C[C@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 95993660 WAOWXOBFJFNNLU-ABAIWWIYSA-N 317.351 3.377 0 40 DGAB CC(C)[C@H]1CN(C(=O)c2cc(C3CC3)[nH]n2)c2ccccc2N1 78994657 NUKRWMJRBODUOZ-MRXNPFEDSA-N 310.401 3.384 0 40 DGAB Cc1cc(C(=O)OC2CCN(CC(F)(F)F)CC2)c(C)o1 78984789 OLAIJPWLKSATJL-UHFFFAOYSA-N 305.296 3.080 0 40 DGAB CCC1(CNC(=O)[C@@H]2CCCCN2Cc2cccnc2)CCC1 75108381 BQMNXNCRDFMNKI-KRWDZBQOSA-N 315.461 3.133 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2cc(C)ccc2O)cc1 75106839 QQURKSLGNAQTKJ-MDZDMXLPSA-N 303.383 3.422 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(C)cc1 23038728 YBZUKZFHCFECAC-GOSISDBHSA-N 313.397 3.348 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1Cl)[C@H]1C=C[C@H]2C1 409380677 ASQIXDLVANOVKS-WBRVRECLSA-N 322.191 3.301 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccnc(C)c2)cc1 72219468 LACXFIYIKHRGOO-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB Cc1nc(Nc2ncccn2)cc([C@@H]2CCCN2CC(C)C)n1 72363453 BWUWOQYDXHSMFZ-HNNXBMFYSA-N 312.421 3.112 0 40 DGAB CCc1c(C)[nH]c2c(I)cccc2c1=O 38005055 UQRSTVOXJHDEAG-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB CC[C@@](O)([C@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 72208771 GYUAVEAGNWTQAY-GXFFZTMASA-N 311.344 3.337 0 40 DGAB C[C@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccncc1 72265163 OKMGYVVDSDBFMT-HNNXBMFYSA-N 310.397 3.007 0 40 DGAB BrC1(Br)[C@H]2[C@@H]3C=CC4C=C[C@@H](C43)[C@H]21 71785633 QWWBXFAHVQNSFL-UZFJAPLISA-N 302.009 3.337 0 40 DGAB CC(C)n1nccc1NC(=O)[C@@]1(C)CC(c2cccs2)=NO1 226747656 ZZIXJWQMCGLQFD-OAHLLOKOSA-N 318.402 3.047 0 40 DGAB CC(C)c1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 44380065 VSLNMMXASDDVKB-UHFFFAOYSA-N 307.390 3.428 0 40 DGAB C[S@](=O)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 85308326 BXEZDRILBBZWEV-VGOFRKELSA-N 315.438 3.428 0 40 DGAB CCOC1(C(=O)Nc2ccc(OC)nc2C)CCC(C)CC1 225901633 JZRHRGVOFNXJHF-UHFFFAOYSA-N 306.406 3.323 0 40 DGAB Cc1cnc(CNC(=O)[C@@H](C)c2ccc(C(=O)C(C)C)cc2)o1 225785542 NUURGZVUXJRDPE-ZDUSSCGKSA-N 314.385 3.242 0 40 DGAB COc1ccc([C@H]2CC(c3ccsc3)=NN2C(C)=O)cc1O 225536936 SQTXFVFERFCQPA-CQSZACIVSA-N 316.382 3.160 0 40 DGAB COc1ccc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 138164915 KEMKNYHUDSMERR-YRGRVCCFSA-N 321.442 3.101 0 40 DGAB COC[C@@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1 193534244 KMVJQSSPOUBUIC-LSDHHAIUSA-N 311.809 3.103 0 40 DGAB CCOc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)O)cc1 225106521 ZDMMQLUPMGRIHH-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB BrC1(Br)[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@H]3[C@H]21 195529078 OLRUHJPVOOXZIZ-XZMUKCQDSA-N 304.025 3.250 0 40 DGAB c1ccc(COC[C@]23CCCO[C@H]2CCN(C2CCC2)C3)nc1 96040277 NGZZMZXGBBFMBF-RBUKOAKNSA-N 316.445 3.022 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H]2SCCc3ccccc32)cn1 96454673 UPVKPLKIQRHAHZ-KRWDZBQOSA-N 312.438 3.079 0 40 DGAB Cn1cc(C[C@@H]2CCN(C(=O)c3sccc3C3CC3)C2)cn1 96445091 AMBYPZDWVXEKNJ-LBPRGKRZSA-N 315.442 3.064 0 40 DGAB CCO[C@H]1C[C@@H](NC2CCC(O)(C(F)(F)F)CC2)C12CCC2 95423223 YERGNNIBUQSHJG-ICRTXTNUSA-N 321.383 3.160 0 40 DGAB CC(=O)NCCCSCc1cc(=O)oc2cc(C)c(C)cc12 96453034 NTMHPDNCZQTJDV-UHFFFAOYSA-N 319.426 3.169 0 40 DGAB NC1=Nc2ccccc2CN1C1CCN(Cc2ccccc2)CC1 95093616 XNNFBBLTVHCALP-UHFFFAOYSA-N 320.440 3.113 0 40 DGAB Cc1c(C(=O)O[C@@H](c2ccccc2)c2nccs2)cnn1C 91775498 TVNDTUQDKXEDBQ-AWEZNQCLSA-N 313.382 3.131 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cccnc1)[C@@H](C)C2 97236790 OZFRJIGVWBPUHO-KBXCAEBGSA-N 309.413 3.465 0 40 DGAB CN(CCc1cccs1)C(=O)N[C@H]1COc2ccccc21 96439607 WCKCRRQPTUQYPM-AWEZNQCLSA-N 302.399 3.066 0 40 DGAB CN(C)c1cccc([C@H]2CCCN2C(=O)c2cscn2)c1 96410170 UBBLOXNTBMNWNC-OAHLLOKOSA-N 301.415 3.186 0 40 DGAB Cc1cccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)n1 96255161 JKAVLBMLFPJZSO-UHFFFAOYSA-N 320.396 3.041 0 40 DGAB Cc1ccc([C@@](C)(O)CNC(=O)c2c(F)cccc2Cl)o1 96444514 LUXXSODDQBCTSX-HNNXBMFYSA-N 311.740 3.018 0 40 DGAB COCCC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372130 ZZMQQYXITBAZHN-GFCCVEGCSA-N 301.308 3.058 0 40 DGAB CC(C)C[C@H](CN[C@@H]1CCC[C@@H](c2cccnc2)C1)C(=O)O 263116203 ZPWNZKWCNTUBRC-DJIMGWMZSA-N 304.434 3.444 0 40 DGAB COC(=O)c1ccc(N[C@@H]2CCSc3c(F)cccc32)nn1 298736842 VZPIOKSSNUJSMI-LLVKDONJSA-N 319.361 3.051 0 40 DGAB CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C=C/c1ccccn1 66726089 OEZIGDKWHZMVTA-OUKQBFOZSA-N 323.440 3.205 0 40 DGAB Clc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1 301650838 JQELHBGCPXZWML-UHFFFAOYSA-N 320.849 3.396 0 40 DGAB COC(=O)CSc1nc2ccccc2n1Cc1ccccc1 292336 GFLUNGANKPSFCB-UHFFFAOYSA-N 312.394 3.350 0 40 DGAB O=Cc1ccc(C(F)(F)F)c(I)c1 139955736 REEASCRMMSWHJT-UHFFFAOYSA-N 300.017 3.123 0 40 DGAB COc1ccc2ccc3c(c2c1)CC[C@@H](C(=O)O)[C@@H]3CC(=O)O 5732159 TXKQSMYGJLDMBI-GDBMZVCRSA-N 314.337 3.054 0 40 DGAB CCOc1ccc(NC(=O)COc2c(C)cccc2C)c(N)c1 226358890 YZSMNELHIZGMEA-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB Cc1nnc(SCC(=O)NC(C)(C)C)n1C1CCCCC1 382754 HUOCFPJNSGJGGV-UHFFFAOYSA-N 310.467 3.099 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)NC(C)(C)CC)c1C 8128748 XPTAJXLQFUNKBQ-LBPRGKRZSA-N 308.422 3.158 0 40 DGAB Cc1noc2ncc(C(=O)NCCCOC3CCCCC3)cc12 30935793 DCOZVGYMEIZOAY-UHFFFAOYSA-N 317.389 3.000 0 40 DGAB COc1ccc2c(c1)c(CC(N)=O)c(C)n2Cc1ccccc1 1685327 RUPYVFAPAMOERU-UHFFFAOYSA-N 308.381 3.034 0 40 DGAB CCCCn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479092 DKAHEJZXXHDUHE-UHFFFAOYSA-N 302.765 3.036 0 40 DGAB O=C(NC[C@@](O)(c1ccsc1)c1cccs1)c1ccco1 245130893 VCVVINJWQYHDJS-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2noc3c2CCCC3)cc1 40157204 VOVFSMQNXMTXQO-LBPRGKRZSA-N 314.385 3.443 0 40 DGAB Cc1ccc(Nc2ncnc3c2nnn3Cc2ccccc2)cc1 159215 RAUFVDOBVHXCSO-UHFFFAOYSA-N 316.368 3.322 0 40 DGAB CC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccc(Cl)cc1Cl 226166 GKPFYCPDYDOIQH-MNOVXSKESA-N 320.197 3.041 0 40 DGAB COc1ccccc1CC(=O)Nc1ccccc1Cn1cccn1 36759857 ZHTADRIVKVRRGJ-UHFFFAOYSA-N 321.380 3.121 0 40 DGAB O[C@@H](c1cccnc1)[C@H](CCc1ccccn1)c1ccccn1 1562927 LSZHEKVMJRHLKW-MJGOQNOKSA-N 305.381 3.322 0 40 DGAB Cc1ccc(-c2cc(Cn3cnc4sccc4c3=O)on2)cc1 32316887 MQQIFZCIXYAXNC-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB COc1cc(OC)c(C(=O)OCc2ccccc2)cc1OC 365272 HBMBVNIDYNDQQV-UHFFFAOYSA-N 302.326 3.069 0 40 DGAB O=C(NC(=S)Nc1ccc(OC(F)F)cc1)c1ccccc1 4868745 PKYOLGRYFUEHHD-UHFFFAOYSA-N 322.336 3.415 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CCCCN1C(=O)c1cccs1 32905807 ZZQCOLBGPKKCRS-CQSZACIVSA-N 320.458 3.192 0 40 DGAB O=C(NCCc1coc(-c2ccccc2)n1)N1CCCCCC1 69629096 UTVRWPWEOSNMRD-UHFFFAOYSA-N 313.401 3.470 0 40 DGAB O=C(Nc1ccccc1F)N1CCN(Cc2ccsc2)CC1 52817038 QMBZVFICDFMMLI-UHFFFAOYSA-N 319.405 3.237 0 40 DGAB CCOC(=O)Cc1csc(NC(=O)c2cc(C)c(C)s2)n1 2731319 YSFXXIRGTGQGPZ-UHFFFAOYSA-N 324.427 3.179 0 40 DGAB Cc1ccccc1CSc1nnc(-c2ccccc2F)n1N 532509 HTCWVQCIHRGIJZ-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB CO[C@H](C)c1noc(CNc2ccc(F)cc2OCC2CC2)n1 83142641 LLLZNGQIBCSCMS-SNVBAGLBSA-N 321.352 3.317 0 40 DGAB O=C(O)CCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 857572 AZEMTZJTVCMXHI-UHFFFAOYSA-N 323.352 3.423 0 40 DGAB O=C(NCCCCOC1CCCCCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 110681373 CNAMRHBRJZXYMJ-BRWVUGGUSA-N 324.465 3.125 0 40 DGAB CN(C/C=C/c1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 23653946 RVGBBXFZXMHEQK-JXMROGBWSA-N 305.381 3.068 0 40 DGAB CCOc1ccc(NC(=O)NCc2ccncc2)cc1Cl 47600999 OMJVYAUBNBROSN-UHFFFAOYSA-N 305.765 3.455 0 40 DGAB CN(CC(=O)Nc1ccccc1Cl)C(=O)Cc1cccs1 24600467 IKAYABWLPLHXCJ-UHFFFAOYSA-N 322.817 3.041 0 40 DGAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1CC=CCC1 106155155 TUADSHGSRJLZLJ-RTBURBONSA-N 312.457 3.371 0 40 DGAB C(=C/N1CCCC1)\c1nnnn1-c1ccc(-c2ccccc2)cc1 55153049 BDKIQTDUXSUREQ-NTCAYCPXSA-N 317.396 3.396 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1n[nH]c2ccccc12 12540827 OTMNRNZVMMWMJZ-GFCCVEGCSA-N 309.369 3.371 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 55748997 SGECJZIECLHGFB-MELADBBJSA-N 321.465 3.203 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(Br)cc2O)c1 44490520 MYRZHBOYYMPZJO-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB COc1ccc(C(=O)Nc2ccc(C)cc2Br)cn1 12623972 PSXWPAAXXXCTCD-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cn3ccccc3n2)N1C1CC1 58381537 CCAVBDYAYAETKX-QGZVFWFLSA-N 304.353 3.063 0 40 DGAB C[C@@H](NC(=O)CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 2279282 MIDRZCZSDLTAPX-HUUCEWRRSA-N 310.397 3.131 0 40 DGAB CCOc1ccc(C(=O)COc2ccc(NC(C)=O)cc2)cc1 3326699 WWZOMRGMHUQGCW-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB aggregator CCCCCOc1ccc(CSc2nnc(CC)n2N)cc1 2315680 MIVINZHNRKAOMH-UHFFFAOYSA-N 320.462 3.416 0 40 DGAB Cc1ccc(C(=O)Cn2cnc3sc4c(c3c2=O)CCC4)cc1 12765567 XHXRYLGBCWTERR-UHFFFAOYSA-N 324.405 3.138 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1ccncc1 48207674 HFBFDGWFTVCGNK-OAHLLOKOSA-N 312.373 3.244 0 40 DGAB Cc1ccc(C(C)C)c(OCC(=O)Nc2nnc(C)s2)c1 3557805 LYPWTFIXIFNOHS-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1ccc(C)cc1 13007031 KBDZASUURUKACX-INIZCTEOSA-N 316.401 3.164 0 40 DGAB COc1cc(C=O)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 4027597 QEVIUWIOYIQVMW-JKSUJKDBSA-N 303.402 3.151 0 40 DGAB biogenic O=C(CCCc1ccccc1)N1CCC[C@H]1CN1CCCC1 49783702 ASBRDHZSNAUNHP-SFHVURJKSA-N 300.446 3.096 0 40 DGAB Cc1ccccc1-c1nnn(Cc2nc3ccccc3s2)n1 5169314 HWENSJDLYDHPKE-UHFFFAOYSA-N 307.382 3.307 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2ccccc2)s1 17247300 KNCAUVSDISTYKN-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1ccc(CNC[C@@H]2CCc3nnc(C(C)C)n3C2)s1 69818778 LIMBAWILDMYZFH-ZDUSSCGKSA-N 304.463 3.124 0 40 DGAB CCn1ncc2ccc(NC(=O)C3=Cc4ccccc4OC3)cc21 65479100 PJKBSKHHFVNSEG-UHFFFAOYSA-N 319.364 3.471 0 40 DGAB Cc1nc(C)n(C[C@@H]2CCCN(Cc3cccc(F)c3F)C2)n1 69820205 CCBPOGUHAAUMKU-CQSZACIVSA-N 320.387 3.085 0 40 DGAB Cc1nc(C)n(C[C@H]2CCCCN2c2nc3ccccc3o2)n1 69872241 MZYKVCXNHCTEHA-CQSZACIVSA-N 311.389 3.095 0 40 DGAB Cc1ncsc1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 65504896 QQXPUMFCERILBB-RISCZKNCSA-N 302.399 3.054 0 40 DGAB Cc1nnc(CSc2nc(Cc3ccccc3)c(C)[nH]2)o1 5312388 PRXBWQBOFDDXJN-UHFFFAOYSA-N 300.387 3.293 0 40 DGAB Cn1cccc1[C@H]1CCCCCN1S(=O)(=O)c1cccs1 14160005 CKASIDZIHSAVDP-CQSZACIVSA-N 324.471 3.393 0 40 DGAB COc1ccc(CN(C)Cn2[nH]c(C(C)(C)C)nc2=S)cc1 14168631 STOOLTYODDEWTR-UHFFFAOYSA-N 320.462 3.336 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccccc2OC)c1 5510826 GZCCFEMUEFKGHC-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 409237566 VLFHNPXFLHTLHF-UKTHLTGXSA-N 322.792 3.430 0 40 DGAB Cc1nc(NC(=O)Cc2cnn(-c3ccccc3)c2)sc1C 14900099 JYFKUUGGAAVJMW-UHFFFAOYSA-N 312.398 3.127 0 40 DGAB COc1ccc(NC(=O)/C=C/c2cc(C)n(C3CC3)c2C)cn1 7136531 JYHOFMZAKTVSQT-XBXARRHUSA-N 311.385 3.495 0 40 DGAB Cc1ccccc1CN(C)CC(=O)Nc1cccnc1Cl 7458772 FTDYPUJXWGBCRZ-UHFFFAOYSA-N 303.793 3.114 0 40 DGAB C[C@@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)c1ccccc1 7990857 OTXMSTVMUFUWLX-CQSZACIVSA-N 324.376 3.369 0 40 DGAB Clc1cc(Cl)cc(CNCCCNc2ncccn2)c1 83474373 GOANYXNDRPFODG-UHFFFAOYSA-N 311.216 3.375 0 40 DGAB C[C@@H](CCc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 9420304 VUIQJTCNWOVWLH-JTQLQIEISA-N 301.781 3.440 0 40 DGAB CC(C)Cc1cc(-c2nn3c(-c4ccccc4)nnc3s2)n[nH]1 9421094 PNSKXSXJKVQMLE-UHFFFAOYSA-N 324.413 3.441 0 40 DGAB CSC[C@@H](CCO)N[C@@H](C)c1ccc(Br)s1 96478193 LAKLVMFWLRGXAG-DTWKUNHWSA-N 324.309 3.275 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 71857213 AMHHVHIJJMTZAR-AVGNSLFASA-N 322.371 3.318 0 40 DGAB c1ccc2oc(CCCN3CCC[C@@H](c4ccn[nH]4)C3)nc2c1 72272648 MHHFXUQUQHYFOX-CQSZACIVSA-N 310.401 3.363 0 40 DGAB Cc1nnc([C@H](C)Nc2cnn(Cc3ccc(Cl)cc3)c2)o1 97140119 PVUWSQCABHQWQD-JTQLQIEISA-N 317.780 3.449 0 40 DGAB COc1cccc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c1 28235408 PDELKVMJYMNUGE-GOSISDBHSA-N 310.397 3.298 0 40 DGAB Cc1nc(-n2cccc2)sc1C(=O)Nc1ccnn1C(C)C 72405565 DUXCJHNGXIRYGI-UHFFFAOYSA-N 315.402 3.272 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCCCC[C@@H]2C(N)=O)cc1Cl 79097472 VSWJDTBHRIEZFS-GXTWGEPZSA-N 323.824 3.204 0 40 DGAB Cc1cccc(C(C)(C)CNC(=O)C2(C)COC(C)(C)OC2)c1 95453121 HDCOWYQHWWXIOY-UHFFFAOYSA-N 319.445 3.178 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2cc(F)c(F)cc2F)C2CC2)n1 95450851 AQFMCYUZCILJCL-CQSZACIVSA-N 321.302 3.083 0 40 DGAB COc1ccc([C@H]2CC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 98095674 PLHOSPLRVLUAEX-KGLIPLIRSA-N 321.373 3.220 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(CC)cc2)[C@@H](CC)C1 89284871 OTSJTBKSSPNTIM-ROUUACIJSA-N 302.462 3.376 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCCc2ccc(F)cc21 89391611 QUKPTHGODCPOJG-KRWDZBQOSA-N 315.392 3.292 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2ccccn2)s1 75092056 WPHKLIMGWAAIBX-NSHDSACASA-N 304.419 3.003 0 40 DGAB C[C@H](NC(=O)Cc1ccc[nH]1)c1cccc(Br)c1 89565674 NAWNQGMCMSCKAU-JTQLQIEISA-N 307.191 3.197 0 40 DGAB Cc1nc(C)c(C(=O)N[C@H]2CC(C)(C)Oc3cc(F)ccc32)o1 89558176 SKAUHKJWTJPKLV-ZDUSSCGKSA-N 318.348 3.463 0 40 DGAB C[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)[C@@H]2C1 409061742 HCOAZUAYCICIML-KKFJDGPESA-N 322.327 3.280 0 40 DGAB C[C@H](N(C)C(=O)Nc1cccc(N2CCOC2=O)c1)C1(C)CC1 75108112 APNMLSMCTWQGCE-LBPRGKRZSA-N 317.389 3.296 0 40 DGAB CN(C)C(=O)c1ccccc1NC(=O)Cc1c[nH]c2ccccc12 32817428 MNKCFCLDVSZADY-UHFFFAOYSA-N 321.380 3.051 0 40 DGAB O=C1C(=O)N(CCOc2cccc3ccccc23)c2ccccc21 32594509 HWDMWPLFPOQSOP-UHFFFAOYSA-N 317.344 3.448 0 40 DGAB NNc1cc(-c2cccc(NC(=O)C(F)(F)F)c2)cs1 39320595 BMCVEGDRCLRYJJ-UHFFFAOYSA-N 301.293 3.202 0 40 DGAB Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 30855208 KPYQVAKBXKKGPI-UHFFFAOYSA-N 310.397 3.080 0 40 DGAB COc1cccc(OC)c1C(=O)NCCc1ccc(Cl)cc1 74924523 BDDPSGOGTORDBY-UHFFFAOYSA-N 319.788 3.330 0 40 DGAB Cn1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1 78604175 AKCODCZVAXSFMB-RYUDHWBXSA-N 309.291 3.181 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccc(C)cn23)cc1 71459321 JMMNIOHSXXMWAI-UHFFFAOYSA-N 322.368 3.162 0 40 DGAB COc1cccc(COc2cc(C)nc(N3CCCCC3)n2)c1 73691403 SGFMPKJIYCQDJZ-UHFFFAOYSA-N 313.401 3.363 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)COc2ccc(F)cc2)c1 224042264 MLRHYSCJIBXSNC-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1nccs1 80398914 HCKBIRFNUFROJG-ZDUSSCGKSA-N 312.398 3.414 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(-n2cccn2)cc1 49744470 FJTYTFBUNVZSGU-UHFFFAOYSA-N 324.384 3.222 0 40 DGAB O=C(/C=C/c1ccccc1)NCC1CCN(c2cccnc2)CC1 225654602 FFJUOIKNPRRSGJ-CMDGGOBGSA-N 321.424 3.128 0 40 DGAB CCCCNC(=O)N1CCC[C@H](c2nc([C@H](C)CC)no2)C1 41123207 RVVYTSQQJPQLIA-OLZOCXBDSA-N 308.426 3.272 0 40 DGAB CCOC(=O)c1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225322853 COUQADFBBDPWTB-JMSVASOKSA-N 318.442 3.338 0 40 DGAB COc1ccc([C@@H]2CC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 98095673 PLHOSPLRVLUAEX-KBPBESRZSA-N 321.373 3.220 0 40 DGAB C1=C(c2c[nH]c3ncccc23)CCN(Cc2nnc(C3CC3)o2)C1 96414817 LDUDMTBYVHTWBT-UHFFFAOYSA-N 321.384 3.113 0 40 DGAB COc1ccc(CN2CCN(CC3CC3)c3ncccc3C2)cc1 96060975 GIOAFBCCQNQAPI-UHFFFAOYSA-N 323.440 3.322 0 40 DGAB COc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1 95097157 IZAULMLXFYMWAY-UHFFFAOYSA-N 318.398 3.046 0 40 DGAB c1ccc(CN2C[C@H]3CCC[C@@H](CNc4ccncc4)[C@H]3C2)nc1 96081937 SZJGANUOXDUVMU-SQGPQFPESA-N 322.456 3.437 0 40 DGAB COCc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C[C@@H](C)N2 95471696 NSNUWWFSSDVLLZ-DOMZBBRYSA-N 300.406 3.341 0 40 DGAB C[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccco2)C1 96443608 KGUFSKGJOTZUAT-CJNGLKHVSA-N 323.396 3.489 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)s1 257221820 DQQVPQBXPKYNRJ-ZDUSSCGKSA-N 319.430 3.005 0 40 DGAB CC1CCN(c2nnc(-c3ccccn3)n2Cc2ccco2)CC1 585080736 ZWNBSOYMXDKAPI-UHFFFAOYSA-N 323.400 3.218 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)COc3cccc(F)c3)CC[C@@]2(C)C1 257290286 QCHBCSQBUNKENO-NUJGCVRESA-N 321.392 3.011 0 40 DGAB Clc1nccc2cc(CN3CCC4(CC3)OCCO4)sc12 585136848 VTHSBSJVGKIKNR-UHFFFAOYSA-N 324.833 3.289 0 40 DGAB CC[C@@H]1COCCN1Cc1ccc(F)c(Br)c1 49595597 SZRCDLQOHRGXPZ-LLVKDONJSA-N 302.187 3.199 0 40 DGAB Cc1cc(C)cc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 69419052 QDJTZVJJPOTJDI-UHFFFAOYSA-N 324.428 3.319 0 40 DGAB COC(=O)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)CC2 953033834 VKYQFAVQJALXKY-UHFFFAOYSA-N 311.422 3.367 0 40 DGAB COC(=O)c1ccc(OCC(=O)Nc2c(C)cccc2C)cc1 5403243 TXSIWVBZRJKOET-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1ccccc1CNC(=O)Cc1cc(-c2ccccc2)on1 12861577 QIVFCJLAVVGMBZ-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB Cc1ccc(NC(=O)COc2cc(Cl)ccc2C(=O)O)cc1 13085205 BZAFOTGDABYZNN-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1ccc(CN2CCN(C[C@H]3CC=CCC3)CC2)cc1 19359699 ZTAZSXIAIPIZNM-KRWDZBQOSA-N 300.446 3.169 0 40 DGAB Fc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19789364 AZSDHGDESITJQU-BPQIPLTHSA-N 300.421 3.156 0 40 DGAB COc1ccccc1-c1cc(C(=O)N2[C@H]3C=CC[C@H]2CC3)[nH]n1 206916366 ISZJDLJGJAYGLD-STQMWFEESA-N 309.369 3.018 0 40 DGAB O=C(NCc1ccccc1)[C@@H]1CCCN(Cc2ccccc2)C1 38832767 YSBZUCBAAFRCEM-LJQANCHMSA-N 308.425 3.215 0 40 DGAB CN(C)c1ccc(Sc2ccc3nc(N)nc(N)c3c2)cc1 1568037 XBBZMWRNKBGJPJ-UHFFFAOYSA-N 311.414 3.011 0 40 DGAB Cc1cc(C)cc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)c1 2298092146 ZXQGIRLMEWJKBU-HNNXBMFYSA-N 323.400 3.366 0 40 DGAB COc1cccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)c1 565705 XWJYEEBHHXYRET-HNNXBMFYSA-N 314.410 3.490 0 40 DGAB C[C@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccco1 75156232 YAMGDYMWMOJTGC-AWEZNQCLSA-N 314.168 3.224 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1ccc2nc[nH]c2c1 40268249 PFKZERNIQQNCKX-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB CCN(CC)[C@@H](CNC(=O)Nc1cc(C)on1)c1ccsc1 31097311 MQQVZAUXRNKKAS-ZDUSSCGKSA-N 322.434 3.249 0 40 DGAB COc1ncccc1CNC(=O)N(C)[C@@H](C)c1cccs1 40553537 FTGCOVDHPVOFBM-NSHDSACASA-N 305.403 3.054 0 40 DGAB CC(=O)Nc1nnc(Cc2ccc(Cl)cc2Cl)s1 103523 IWQICCSKMCNYAY-UHFFFAOYSA-N 302.186 3.394 0 40 DGAB Cc1nnc(SCC(=O)c2ccc(Cl)cc2Cl)[nH]1 11657493 NCFARGCWEGFWGF-UHFFFAOYSA-N 302.186 3.395 0 40 DGAB Fc1ccccc1[C@H]1C2=C(Nc3ncnn31)c1ccccc1OC2 101353435 FQQQXNGXQZWOSK-KRWDZBQOSA-N 320.327 3.236 0 40 DGAB O=C(Nc1cccc(O)c1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4504976 HPTUIUXNCRHRTH-HNNXBMFYSA-N 316.744 3.177 0 40 DGAB O=C1c2ccc(Br)cc2C(=O)N1c1ccccc1 362536 VIDLHMORTSMJKV-UHFFFAOYSA-N 302.127 3.250 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cccc(F)c1F)S[C@H](C)C(=O)N2 6678408 BYQGGMYRWNMCFL-JMCQJSRRSA-N 309.341 3.160 0 40 DGAB CCOc1ccccc1[C@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678517 ORDMDCPFAAQQGP-IINYFYTJSA-N 317.414 3.280 0 40 DGAB COc1cc(S(=O)(=O)Nc2c(C)cccc2C)ccc1F 7361069 NRXSMJCNHKXJIC-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1cc(CNC(=O)c2cc3c(C)nn(C)c3s2)ccc1F 11984784 CAHBYGVLNPMFSY-UHFFFAOYSA-N 317.389 3.321 0 40 DGAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1 10677230 TWYHMRSIFGZLTB-INIZCTEOSA-N 323.364 3.394 0 40 DGAB C[C@@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 32900247 NAKNSVWHVGKWFS-INIZCTEOSA-N 319.408 3.335 0 40 DGAB CC(=O)c1ccccc1NC(=O)CCCSc1nncs1 16865783 IZUXSIAEJVCHKS-UHFFFAOYSA-N 321.427 3.252 0 40 DGAB COc1ccccc1NC(=O)Nc1ccc2c(c1)CCC(=O)N2 22506998 FORNZCSIIKIXHH-UHFFFAOYSA-N 311.341 3.224 0 40 DGAB Cc1ccsc1CN(C)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 23702367 PHNFPQVHILKPNF-LBPRGKRZSA-N 313.426 3.486 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)Nc3ccccc3)C2)no1 69219273 IUQPIKVTXVEUMD-LBPRGKRZSA-N 300.362 3.044 0 40 DGAB Cc1csc(Sc2ccc(-n3nc(C)cc3C)nn2)n1 24990836 YVDFIJUCYGNIRD-UHFFFAOYSA-N 303.416 3.195 0 40 DGAB Cc1cc(-c2nn3c(-c4cccc(Cl)c4)nnc3s2)no1 20739727 ZIVFVPJGHTUTCG-UHFFFAOYSA-N 317.761 3.470 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1C[C@@H]1c1ccc(F)cc1 24905128 QEIZZLYCXXCXAQ-HZPDHXFCSA-N 322.343 3.149 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)Nc1nc(C2CC2)cs1 26051817 IITHQNCCVNGHEJ-UHFFFAOYSA-N 316.382 3.321 0 40 DGAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3CCC(C)CC3)c2c1 20730692 DWTCITKNRBBQNN-INIZCTEOSA-N 302.374 3.034 0 40 DGAB COC(=O)c1ccc(C(=O)Oc2ccc3ncccc3c2)cc1 58174827 PNDGSUQPXJKURR-UHFFFAOYSA-N 307.305 3.241 0 40 DGAB O=C1C(=O)N(CN2CCC[C@@H]2c2cccs2)c2ccccc21 23717957 ZSSJAMXVSYMUOL-CQSZACIVSA-N 312.394 3.072 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)CSc1nncn1C1CC1 58367939 YMKDNZLPVYYQNI-UHFFFAOYSA-N 312.398 3.378 0 40 DGAB Cc1cc(C)c2c(c1)[C@H](NC(=O)c1c(C)noc1C)CCO2 58358193 VORXTGIWAAXEFX-CQSZACIVSA-N 300.358 3.162 0 40 DGAB CCCn1c2c(c(SCc3ccccc3)nc1=O)CCC2 27994836 QNLKNJINBBXXRN-UHFFFAOYSA-N 300.427 3.434 0 40 DGAB CCc1nc2sc(C(=O)Nc3cc(C)on3)c(N)c2cc1C 36359541 JBUJQANALTVNGF-UHFFFAOYSA-N 316.386 3.298 0 40 DGAB CC(C)N(C)c1ccc(NC(=O)NCC[C@@H]2CCCO2)cc1F 48262479 YGTMGRXZLYUWLX-AWEZNQCLSA-N 323.412 3.361 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2s1)c1nnc2ccccn12 48374562 FGRNQWRCWWRHSH-NSHDSACASA-N 322.393 3.435 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1-c1nc2ccccc2[nH]c1=O 3455735 JRGGKBWIFXVQKH-UHFFFAOYSA-N 316.364 3.393 0 40 DGAB O=C(NCCc1ccc2c(c1)OCCO2)c1cc2ccccc2o1 3486522 RSSQMAWUVUHHGX-UHFFFAOYSA-N 323.348 3.177 0 40 DGAB O=C(CCC1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 12942932 AHJYKYXXTJAQRI-UHFFFAOYSA-N 300.402 3.488 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCCCO2)NCc1ccccc1 13096815 MHDZLYLVQAQBHG-CSKARUKUSA-N 309.365 3.178 0 40 DGAB C[C@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccccc1 7577632 VGICGAMGMRKNCN-VIFPVBQESA-N 320.443 3.232 0 40 DGAB CCc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)O 5277925 BDJXFZURGOANDT-INIZCTEOSA-N 312.369 3.066 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 6384174 GYZLYGKIRSFYMV-UHFFFAOYSA-N 322.364 3.201 0 40 DGAB CCn1c([C@@H](C)NC(=O)c2scnc2C)nc2ccccc21 65565596 REHCRTIJJAXCAO-LLVKDONJSA-N 314.414 3.312 0 40 DGAB COc1cccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)c1 5302842 PWIGPHYKIAMZHY-UHFFFAOYSA-N 322.364 3.173 0 40 DGAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@H](C)C(C)(C)C 69818240 YQZFKJCDPQTDRJ-DYVFJYSZSA-N 316.445 3.073 0 40 DGAB COc1ccc(NC(=O)CCc2nnc(-c3ccccc3)o2)cc1 8754507 FIWGGSJWYBOMIG-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB O=C(c1cncn1-c1ccccc1)N1CCc2sccc2C1 9896599 MBBLYZKWUXNNCU-UHFFFAOYSA-N 309.394 3.132 0 40 DGAB CCCCN(C)S(=O)(=O)c1cc(Cl)c(C)cc1OC 9061942 CRQCHJMNPXZLGW-UHFFFAOYSA-N 305.827 3.078 0 40 DGAB CCSc1ccc(Cl)cc1C(=O)N1CCc2[nH]ncc2C1 84187335 OVFWQHJBLCYOIE-UHFFFAOYSA-N 321.833 3.374 0 40 DGAB CCN(C)C(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@H]2C)c1 72295445 NOFWSKYYNWZDMM-HUUCEWRRSA-N 316.445 3.429 0 40 DGAB CN(C)c1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 9322119 MZLVLSKACSRPQH-UHFFFAOYSA-N 323.396 3.132 0 40 DGAB COc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)cc1C 27588465 TUKWZMUJVMPWIV-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(C)c(C)c3)n2)cc1 19910681 RKFRVEUVIMKRSB-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1ccc(F)cc1-n1cccc1 97115709 CUNHKHOQBATLNP-UHFFFAOYSA-N 313.332 3.402 0 40 DGAB Cc1csc(CCNCc2c[nH]nc2-c2ccc(C)o2)n1 97159569 BFRJWBQNUNDCNQ-UHFFFAOYSA-N 302.403 3.075 0 40 DGAB O=C(NCc1ccc(F)c(Cl)c1)c1ccc2c(c1)OCO2 72331481 KXNFFIMHLUYJMW-UHFFFAOYSA-N 307.708 3.138 0 40 DGAB O=C(c1ccncc1)N1CCC(Oc2ccccc2Cl)CC1 95436378 ZEGRDMDPQGJXFJ-UHFFFAOYSA-N 316.788 3.419 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)C1(Cc2ccccc2)CCC1 95411688 RSWNUCFVUHPHAJ-QGZVFWFLSA-N 323.440 3.327 0 40 DGAB Cc1cc(C)cc([C@@H](O)CN(C)Cc2cc(Cl)cn2C)c1 95965203 UYESOIUELOTHOM-KRWDZBQOSA-N 306.837 3.461 0 40 DGAB CS[C@H]1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 95960115 MPSIZMBTEWEWRR-BWLFODOESA-N 311.472 3.251 0 40 DGAB Cc1cccn(CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)c1=O 95984477 BQQPUWJQCZXFMI-AWEZNQCLSA-N 324.380 3.123 0 40 DGAB NC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2ccccc2)cc1 9959204 KPWYEWIFVKNBJO-MRXNPFEDSA-N 309.369 3.155 0 40 DGAB COc1cccc(C2(NC(=O)c3ncoc3-c3ccco3)CC2)c1 89469677 UTRBYBBUWBDCOM-UHFFFAOYSA-N 324.336 3.362 0 40 DGAB CC[C@H]1CCc2ccccc2N1C(=O)c1ccc2nnc(C)n2c1 75093910 IQSYCTUHJXBBRJ-INIZCTEOSA-N 320.396 3.409 0 40 DGAB O=C(NC[C@H]1Cc2ccccc21)c1ccnc(OC2CCC2)c1 89567672 YZSSOLWAIDOLBU-OAHLLOKOSA-N 308.381 3.083 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)no1 23679653 JYLDIBLKFRZZRM-SECBINFHSA-N 309.163 3.237 0 40 DGAB C[C@@H](CNC(=O)N(C)Cc1ccco1)Oc1ccccc1F 75316720 JGXCBBODBBHJBO-LBPRGKRZSA-N 306.337 3.028 0 40 DGAB Cc1ccc(C)c(N2CCN(c3ccnc(C4CC4)n3)CC2)c1 152679150 WCULPOGBCVOVNZ-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN2c2cccnc2)n1 72384609 QPVNEUIDTSDPGG-AWEZNQCLSA-N 324.413 3.332 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N1CCC[C@@H]1c1ccncc1 30577720 ABGJSLHIQNPSEG-GOSISDBHSA-N 318.380 3.245 0 40 DGAB CCNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCNC1 72391953 UHEWKYXRUURRGQ-NRFANRHFSA-N 322.452 3.402 0 40 DGAB Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1C 44880274 AGZOTECAOVCHNY-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1C 225322049 GMNBAVQFLIEFOB-JMSVASOKSA-N 318.442 3.257 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@H]2CC[C@@H]1C2 225810081 NTUPIDBSZLTFNM-MISXGVKJSA-N 313.319 3.389 0 40 DGAB COCCN(Cc1ccsc1)C(=O)CCc1ccccc1 42382151 PKBKHWDWHDTTSA-UHFFFAOYSA-N 303.427 3.356 0 40 DGAB C1CCC(O[C@H]2CCCC[C@H]2N2CCN[C@@H]3CCCC[C@@H]32)C1 225714793 ARUFQWJKFOKKNK-HCXYKTFWSA-N 306.494 3.473 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1c(C)noc1C 97379256 MBIWWCIKVVYUJG-CQSZACIVSA-N 314.385 3.150 0 40 DGAB COC(=O)[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 97095200 DJLJQXFOMGAELT-NSHDSACASA-N 310.781 3.065 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(OC(=O)c3ccsc3)c2)n1 96442597 IEWGPVBIPVDKRK-UHFFFAOYSA-N 312.350 3.026 0 40 DGAB Cc1nc([C@@H]2COCCN2C(=O)c2sccc2C)cs1 96217376 PPCLHSBJWUGCFP-LBPRGKRZSA-N 308.428 3.035 0 40 DGAB CCO[C@@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 96220593 QHVUWFWVJUGOCT-HNNXBMFYSA-N 323.820 3.140 0 40 DGAB Fc1cc(Br)cc(OCCC2OCCCO2)c1F 95734035 IAFMFVSHYWPKOZ-UHFFFAOYSA-N 323.133 3.259 0 40 DGAB Cc1cc2c(=O)n(Cc3ncc(C(C)(C)C)o3)cnc2s1 96485494 RTXJPPLEICWHML-UHFFFAOYSA-N 303.387 3.100 0 40 DGAB CCOC(=O)CCCCN1CCC[C@@H](N2CCCCCC2)C1 96417425 QXBFVEOQXRIZMY-QGZVFWFLSA-N 310.482 3.060 0 40 DGAB C[C@H](NC(=O)Nc1cc(-c2ccco2)ccc1F)[C@@H](C)CO 96435491 XAJOBQQIAKTWBT-QWRGUYRKSA-N 306.337 3.224 0 40 DGAB CC(C)[C@H](NC(=O)c1ccco1)c1nc(-c2ccccc2)no1 96277347 HKSORQDDGWNOHI-AWEZNQCLSA-N 311.341 3.457 0 40 DGAB CCC[C@H](CN(C)C1CCS(=O)(=O)CC1)c1ccccc1 95986758 HYFPUUOWEBGLMQ-MRXNPFEDSA-N 309.475 3.079 0 40 DGAB CC(C)n1nccc1CN1CCC(C)(c2nccs2)CC1 257247673 IZZWYCFTLOLUNJ-UHFFFAOYSA-N 304.463 3.474 0 40 DGAB C[C@@H](c1nnnn1C1CCCCC1)N(C)CCC(F)(F)F 252489918 KEYFWJOAHAEVMC-JTQLQIEISA-N 305.348 3.124 0 40 DGAB CCCCOc1ncccc1CNC(=O)c1cnc(C2CC2)o1 585121512 RHORVMUSTGZGDF-UHFFFAOYSA-N 315.373 3.056 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)CSc1ccc(C)nn1 585118078 ANWJVVAWNJZSMD-UHFFFAOYSA-N 319.405 3.065 0 40 DGAB c1csc(-c2n[nH]cc2CN2CCC[C@H]2c2cnccn2)c1 257333398 YBJFOPQTJPJITJ-AWEZNQCLSA-N 311.414 3.265 0 40 DGAB Cc1ccc(C(=O)N2CC(Cc3nccc4cc[nH]c34)C2)cc1 257316389 VFJVJUMXTZESAF-UHFFFAOYSA-N 305.381 3.186 0 40 DGAB CS(=O)(=O)/N=C(\O)CC1(CCc2ccccc2)CCCC1 73086960 XWJOETXZFFQTPF-UHFFFAOYSA-N 309.431 3.486 0 40 DGAB COC(=O)c1ncc(Br)cc1OCc1ccccc1 575423917 SSCRFKYQCJJYAJ-UHFFFAOYSA-N 322.158 3.210 0 40 DGAB Fc1cccc(Cc2nnc(SC[C@H]3CCCCO3)o2)c1 67754755 MFKBYCQPGALOBG-CYBMUJFWSA-N 308.378 3.461 0 40 DGAB Fc1ccc2ncnc(NCc3ccnc(N4CCCC4)c3)c2c1 69150503 QWMQCAFGUMUFSL-UHFFFAOYSA-N 323.375 3.376 0 40 DGAB CCc1c(C)sc2nc(Cc3ccn(C(C)C)n3)[nH]c(=O)c12 77109065 ZUMGYFKUTHKCKN-UHFFFAOYSA-N 316.430 3.224 0 40 DGAB Cc1nc2ccccc2nc1N1CC(n2cnc3ccccc32)C1 1775974677 ZEQNEOYFXQOZJK-UHFFFAOYSA-N 315.380 3.349 0 40 DGAB COc1ccc(NC(=S)Nc2ccc(C(=O)O)cc2)cc1 5798440 YZCNDOBIQNGEIW-UHFFFAOYSA-N 302.355 3.202 0 40 DGAB Cn1ccc([C@H]2CCCCCN2C(=O)Cc2cccs2)n1 19291019 CUISARCZTGOKCA-OAHLLOKOSA-N 303.431 3.168 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)N(C)C(=O)C(C)(C)CO2 8959317 QLIIWCQSGXIXCF-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB COc1ccc2c(C(F)(F)F)cc(SCC(=O)O)nc2c1 20120556 AYOCBYXNSKSZMF-UHFFFAOYSA-N 317.288 3.439 0 40 DGAB CCOc1ccc(-c2nnc(NC(=O)C3CCCC3)o2)cc1 3435753 IZTSXQLNJOJUFO-UHFFFAOYSA-N 301.346 3.264 0 40 DGAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2cccnc2)c1 1888842544 HXOUJICISKHFOM-XYPWUTKMSA-N 302.809 3.300 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1ccc(N2CCCC2)nc1 29982907 ACCZLAUVVGZZCT-UHFFFAOYSA-N 322.368 3.004 0 40 DGAB CCOc1ncccc1CNC(=O)Cc1coc2cc(C)ccc12 30308905 HWGQKAQEGFXKQP-UHFFFAOYSA-N 324.380 3.394 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@@](C)(C(=O)O1)C2(C)C 351815 XSCPMNSNLVUERI-ZWKOTPCHSA-N 309.450 3.249 0 40 DGAB Cc1c(C(=O)C(=O)N2CCc3ccccc32)c2ccccc2n1C 4062585 KNSXQXRDMLHFOB-UHFFFAOYSA-N 318.376 3.259 0 40 DGAB O=C(/C=C/c1ccc(OC(F)F)cc1)NCc1ccccn1 7781568 VKONCEHGRNVCGA-RMKNXTFCSA-N 304.296 3.013 0 40 DGAB COc1cccc(C2=C[C@@H](c3ccccc3)n3ncnc3N2)c1 100996224 ZOJUPEDQWPNCGT-KRWDZBQOSA-N 304.353 3.343 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N[C@H]1CCSc2ccccc21 32338782 CRUKCYQIGSRKJU-NSHDSACASA-N 321.833 3.349 0 40 DGAB COC(=O)c1c(C)c2c(C)cc3ccccn3c-2c1C(=O)OC 384096 SQDDRYSFAXVCTQ-UHFFFAOYSA-N 311.337 3.234 0 40 DGAB Cc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c(C)c1 6678338 TTZUZBWTKZASNW-SMDDNHRTSA-N 301.415 3.498 0 40 DGAB CCn1nnnc1NCc1ccc2c(c1)c1ccccc1n2CC 6871206 NBNUJHZWGQUBJQ-UHFFFAOYSA-N 320.400 3.433 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2cc(C)n(C)c2C)cc1 8051928 GZNRLHLNVUFLGW-UHFFFAOYSA-N 300.358 3.071 0 40 DGAB CCCCc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102332510 UCFCHNXVMUNHTQ-OTRWWLKZSA-N 313.397 3.491 0 40 DGAB COc1ccc2[nH]cc([C@H](O)CN3C[C@@H](C)C[C@H](C)C3)c2c1 102686267 CAPKXBVTQCWBKD-ZJNRKIDTSA-N 302.418 3.188 0 40 DGAB O[C@H](CN[C@@H]1C[C@@H]2CC[C@@H]1C2)COc1cccc2ccccc12 104148947 BVGSRENJZPUAPS-KLICCBINSA-N 311.425 3.358 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2cc[nH]c2c1 33241448 FBYCSYHYERTJOD-UHFFFAOYSA-N 306.369 3.415 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(N2CCCC2)nc1 22389223 XWTHTERUOHUHCF-UHFFFAOYSA-N 311.385 3.333 0 40 DGAB C[C@H]1CCC[C@H](N2CCN(C(=O)c3ccccc3F)CC2)C1 783016 OSVKRSHERBDJFS-GJZGRUSLSA-N 304.409 3.162 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)cc1 58051264 VRFZBJIQPMQNMG-KBPBESRZSA-N 317.433 3.274 0 40 DGAB C1=NN2C(=NC3=C(CCc4ccccc43)[C@H]2c2ccccc2)N1 1251893 FQMCCKNWCBHRAB-GOSISDBHSA-N 300.365 3.303 0 40 DGAB COCC(=O)Nc1ccccc1NC(=O)c1ccc(Cl)cc1 24644613 VDFNRWXHDBKBLB-UHFFFAOYSA-N 318.760 3.177 0 40 DGAB CCN(Cc1cc(=O)n2cccc(C)c2n1)Cc1cccs1 24740382 OLRNBCSJMOOYSI-UHFFFAOYSA-N 313.426 3.087 0 40 DGAB COc1cccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)c1 101275887 QEAWAKQXIHOMIY-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2cccc(F)c2)c2nccn2C)cc1 12507191 JQXLKUJISHRQAB-QGZVFWFLSA-N 323.371 3.387 0 40 DGAB Cc1cccc(C(=O)N[C@@H]2CSc3ccc(C)cc3C2=O)c1 1404144 CZJSUVDDVPIJQA-OAHLLOKOSA-N 311.406 3.390 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc3[nH]c(C)cc3c2)cc1 1502421 KBEGQASQCWZEBX-UHFFFAOYSA-N 316.382 3.286 0 40 DGAB CCOC(=O)c1sc(-c2cccc(OC)c2OC)nc1C 25667000 XCWMQKKKQBFIDT-UHFFFAOYSA-N 307.371 3.312 0 40 DGAB Cc1nn(-c2ccc(NC(=O)[C@@H]3CCCO3)cc2)c(C)c1Cl 28242592 QHEXMRBPZFYTLR-AWEZNQCLSA-N 319.792 3.260 0 40 DGAB CCOC(=O)c1cccc(OCc2nnc(-c3ccccc3)o2)c1 12622909 ISCHEEQRUOSZEO-UHFFFAOYSA-N 324.336 3.492 0 40 DGAB Cc1ccccc1C[S@](=O)CCC(=O)Nc1ccccc1 58098715 IFFDWJMQKUQLGU-NRFANRHFSA-N 301.411 3.273 0 40 DGAB CCCCNC(=O)C[S@@](=O)Cc1ccc(C(C)(C)C)cc1 58130870 FJEZNHFXWFFOAH-OAQYLSRUSA-N 309.475 3.149 0 40 DGAB Cc1cccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)n1 27654908 SHEFUSSAEKEALD-MRXNPFEDSA-N 312.369 3.200 0 40 DGAB CNc1snc(C)c1C(=O)N[C@H](C)c1cc(C)ccc1OC 28064410 PCMUCQCPVPXNKZ-SNVBAGLBSA-N 319.430 3.301 0 40 DGAB Cc1nc(C(=O)N[C@H](C)c2ccccc2)nn1-c1ccc(F)cc1 12762312 UGGDKGTZHMSCKL-GFCCVEGCSA-N 324.359 3.206 0 40 DGAB Cc1ccn2cc(C(=O)Nc3ccc4c(c3)OCCCO4)nc2c1 8216078 WVRYPSADGCYLND-UHFFFAOYSA-N 323.352 3.056 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2sccc2C2CC2)c1 70015514 FOACGPVEAOKVAD-AWEZNQCLSA-N 315.442 3.435 0 40 DGAB CC(C)Oc1cccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1 20141607 SCZFUZXBLMXFNG-UHFFFAOYSA-N 315.325 3.130 0 40 DGAB CCCN(CC(=O)O)C(=O)Nc1cc(Cl)ccc1Cl 38020824 QDOQCCXEOGBHCL-UHFFFAOYSA-N 305.161 3.322 0 40 DGAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc(Cl)cc2)no1 12908976 BMQATDMJTJNCQY-CQSZACIVSA-N 319.792 3.412 0 40 DGAB CSc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1 13140801 KYCNDQCQMGIJIM-NYYWCZLTSA-N 312.394 3.159 0 40 DGAB Cc1cccc(COC(=O)CNC(=O)c2ccc(C)c(C)c2)c1 6110727 FAMVOMRDCNPMPI-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB CC[C@H]1c2ccsc2CCN1CCC(=O)Nc1cc(C)on1 39992518 UZTHGWOLOHEVRM-ZDUSSCGKSA-N 319.430 3.383 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c1 6456621 AWRVKBSPXFPTLY-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB C[C@@H]1Sc2ccc(C(=O)N[C@H](C)c3ccco3)cc2NC1=O 14183527 ZWCFGZBVQSFILG-ZJUUUORDSA-N 316.382 3.203 0 40 DGAB CCOc1cc2c(cc1CNC(=O)C1CCCC1)O[C@@H](C)C2 5406559 RQTUJHABDKFFOQ-LBPRGKRZSA-N 303.402 3.215 0 40 DGAB Cc1ccc2c(c1)[nH]c1c(=O)n(CCc3ccccc3)cnc12 5478397 WQJVXHIYKGYPLG-UHFFFAOYSA-N 303.365 3.429 0 40 DGAB CCCN1CCCC[C@@H]1C(=O)N1CCC[C@H](c2nccs2)C1 67048411 PIGLVPZWIWEUKT-LSDHHAIUSA-N 321.490 3.114 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)CCc1ccsc1 89894920 ZLAAZKOSCDCHCT-CZUORRHYSA-N 303.427 3.309 0 40 DGAB CCNC(=O)COC(=O)/C(=C/c1cccs1)c1cccs1 7778697 LDXLOSOBSKBBLR-FMIVXFBMSA-N 321.423 3.030 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1OC 19736204 OMMIYAOASBGMNV-MRXNPFEDSA-N 314.385 3.382 0 40 DGAB CC(=O)Nc1cccc(NCc2noc(Cc3ccccc3)n2)c1 96461374 YORMWYLZRIPUIP-UHFFFAOYSA-N 322.368 3.231 0 40 DGAB CCn1c(C)cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c1C 71865137 CUJVASXICWILDC-MRXNPFEDSA-N 314.433 3.016 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@H]2c2ccsc2)n1 71828086 QZMGESIDFBTNFS-HIFRSBDPSA-N 303.431 3.486 0 40 DGAB CCO[C@@H]1CCCN(C(=O)c2cc(C)nc3cc(F)ccc23)C1 71825627 ASVCEQHXNFHOCM-CQSZACIVSA-N 316.376 3.323 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCCC[C@@H]2Cn2cccn2)c(C)o1 71865428 GYCHFWZHIRAAQL-GOEBONIOSA-N 315.417 3.278 0 40 DGAB CCN(Cc1cccc(N[C@@H](C)C2CCN(C)CC2)c1)C(C)=O 97045635 ZUQOIWDTINQPHJ-HNNXBMFYSA-N 317.477 3.197 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97001627 RHUXXYLDEYMSCC-INIZCTEOSA-N 308.337 3.114 0 40 DGAB CC(C)COc1cccc(CN2CCC(c3nc[nH]n3)CC2)c1 97033969 SSJFZQBBNMASBQ-UHFFFAOYSA-N 314.433 3.219 0 40 DGAB CCN(Cc1ccccn1)C(=O)c1cc(-c2ccccc2)[nH]n1 84262006 YHRMKBWFDYJAJQ-UHFFFAOYSA-N 306.369 3.134 0 40 DGAB O=C1N=C(N2N=C(c3ccco3)C[C@@H]2c2ccco2)CS1 97166267 JDXBFOXLHOVWLR-SNVBAGLBSA-N 301.327 3.289 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N1CCc2c1cccc2C(F)(F)F 97115815 OYWXCPULRDYXCS-UHFFFAOYSA-N 323.318 3.259 0 40 DGAB Cc1cc(F)ccc1NC(=O)N1CC[C@@H](CN2CCCCC2)C1 97164626 NYKMSEWCPHSRLH-HNNXBMFYSA-N 319.424 3.474 0 40 DGAB Cc1cccc([S@](=O)Cc2cc(F)cc3c2OCOC3)c1 79106436 QPTBSDZIMYNQER-NRFANRHFSA-N 306.358 3.308 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2o1)[C@@H](O)c1ccc(F)cc1 95429986 TUFQWRNRSRAHOV-PIGZYNQJSA-N 313.328 3.424 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(C)on2)cc1 98014124 SZBACGPWDSXYKL-WBVHZDCISA-N 314.385 3.189 0 40 DGAB CCn1ccnc1CN(C)Cc1ccccc1Br 95958184 DNSCBHUAFALEKN-UHFFFAOYSA-N 308.223 3.298 0 40 DGAB Cc1occc1CNc1ccc(C(=O)N2CCC[C@@H](C)C2)cn1 95958802 SVVURYHYXAALLP-CYBMUJFWSA-N 313.401 3.467 0 40 DGAB C[C@@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc(F)cc1 31030288 BIDUAQRKOGIKOO-ZDUSSCGKSA-N 316.376 3.352 0 40 DGAB CN(CC1CCNCC1)C(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1 1524112033 BZBAJQGHHSXCAV-UXHICEINSA-N 322.452 3.401 0 40 DGAB Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3csc(C)n3)C2)n1 72386118 KIVLZQNQZQPKLH-CQSZACIVSA-N 316.474 3.210 0 40 DGAB CCOc1ccc(C(=O)NCCCc2ccccc2OC)cc1 219954426 MYVJMJXDEGGINT-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB NC(=S)N1N=C(c2cccnc2)C[C@@H]1c1ccc(Cl)cc1 72333070 RCTWIMKASMRFDX-CQSZACIVSA-N 316.817 3.130 0 40 DGAB Cc1cccc(NS(=O)(=O)c2cccc(COC(C)C)c2)n1 72265393 GJJQMESXCRMXPG-UHFFFAOYSA-N 320.414 3.116 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCCC[C@H]2C)cc1C 72414608 LLTYHTQZABLXDQ-CQSZACIVSA-N 311.447 3.265 0 40 DGAB CCOc1ccc(NC(=O)c2[nH]ncc2Br)cc1C 78927484 SPGSWWCTHDHXHD-UHFFFAOYSA-N 324.178 3.132 0 40 DGAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccccc2F)C1 44080812 PWSSOYAHGFOPCZ-CYBMUJFWSA-N 309.454 3.234 0 40 DGAB CC[C@@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 41184660 CIUOTKFPFTUMQU-SNVBAGLBSA-N 307.781 3.237 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1OC 44901205 KXNIPMICZWRYOR-NSHDSACASA-N 321.398 3.094 0 40 DGAB CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCC 224739749 RTPZOWHNJWZITG-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB COc1ccc(C(=O)NCCCN2CCC[C@@H](C)C2)cc1Cl 225692607 ZCLZVGMPFVEHRF-CYBMUJFWSA-N 324.852 3.200 0 40 DGAB O=C(NCc1nccn1CCCc1ccccc1)c1ccoc1 81933380 TUVZBCTXIGSCDF-UHFFFAOYSA-N 309.369 3.039 0 40 DGAB CCOc1ccc(NC(=O)C2(OCC)CCCCC2)c(C)n1 225899020 RRAFXTUHGOQLLC-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CC 225162241 GQOOGBJYMHAPQB-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB Cn1cc(-c2csc(NC(=O)CSC(C)(C)C)n2)cn1 96423317 SQJYDWFAHOUXFR-UHFFFAOYSA-N 310.448 3.014 0 40 DGAB C[C@@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccncc2)c1 90181864 CJDYFDHYWHGFMT-RDTXWAMCSA-N 321.424 3.163 0 40 DGAB CO[C@@H]1CCN(Cc2csc(C)n2)[C@H]1Cc1ccccc1 96087459 VBUDCLWOTOUNPD-DLBZAZTESA-N 302.443 3.284 0 40 DGAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1ccccc1Cl 96308979 USEQOVSEHLHPLP-CYBMUJFWSA-N 318.735 3.223 0 40 DGAB CC(C)n1ncc2c1[C@@H](NCc1cccnc1N(C)C)CCC2 585083582 IXWWGHOWECZORV-INIZCTEOSA-N 313.449 3.092 0 40 DGAB COc1ccc([C@@H]2C[C@@H]3CN(Cc4ccccc4)C(=O)[C@H]32)cc1 585138337 GJMGLZTVVYGQTA-NZSAHSFTSA-N 307.393 3.457 0 40 DGAB Cc1nn(C)c(C)c1CN1CCC(C)(c2nccs2)CC1 257202929 ANXJDEHVKLDKMW-UHFFFAOYSA-N 304.463 3.047 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2cc(F)c(Cl)cc2Cl)n1 64316033 YCMKGLXQVOHNGX-RXMQYKEDSA-N 318.135 3.315 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccccc3OC)OC2=O)cc1 297525 KDFHTDPSXURABW-RVDMUPIBSA-N 309.321 3.048 0 40 DGAB CC(C)c1ccc(-n2nnnc2S[C@H]2CCCCC2=O)cc1 5217109 CJQBIPODKCJRIM-HNNXBMFYSA-N 316.430 3.390 0 40 DGAB Nc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 5934306 LYJRXPVYZLZUSN-UHFFFAOYSA-N 307.382 3.026 0 40 DGAB CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12222142 DCCHTHCQQFGTBV-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1 13667991 LDBBLALAQMJJTO-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB CN1CCC(NC(=S)Nc2ccc(Cl)c(Cl)c2)CC1 13775562 GRLRAUYHFRHHLB-UHFFFAOYSA-N 318.273 3.374 0 40 DGAB Cc1ccc(CN2Cc3ccccc3O[C@@H](CN(C)C)C2)s1 19217269 UKDQIXUBWZPZHY-INIZCTEOSA-N 316.470 3.381 0 40 DGAB Cc1cccc(N2CCN(c3nc4cnccc4s3)CC2)c1 1888906458 HXAVTXONGQRAES-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB Cn1nccc1-c1ccc(CNC(=O)/C=C/c2ccccc2)o1 1889030185 HWJCMNQRTJRINJ-JXMROGBWSA-N 307.353 3.010 0 40 DGAB O=C(OCC(=O)c1ccc(Cl)s1)c1cc(Cl)c[nH]1 25194923 ZDXPOIYWBIYDQP-UHFFFAOYSA-N 304.154 3.423 0 40 DGAB Clc1ccc2nc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)oc2c1 1889133957 MDJYOWHCWMPQOQ-RYUDHWBXSA-N 317.820 3.402 0 40 DGAB CC(C)N1CCC2(CCC(=O)N2Cc2cccc(F)c2)CC1 2055819296 NUAOCSROCLJMTM-UHFFFAOYSA-N 304.409 3.191 0 40 DGAB CC[C@@](CNc1ncnc2ncccc12)(OC)c1ccccc1 1775971473 PBWUWKUAEQGHGF-SFHVURJKSA-N 308.385 3.389 0 40 DGAB CCOC(=O)c1cnc2c(Br)cncc2c1Cl 57354305 BSBLMXNEFWXNOI-UHFFFAOYSA-N 315.554 3.222 0 40 DGAB Cc1ccc(CNC(=O)[C@H]2Cc3cc(Cl)ccc3O2)s1 40122220 QAUIKDMOOKVCEB-CQSZACIVSA-N 307.802 3.330 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1 28836213 RBSSLGPWRIJBDT-CYBMUJFWSA-N 316.401 3.222 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)[C@H]1Cc2ccccc2C1=O 408380 XOMGAFLXSGXOAG-CQSZACIVSA-N 304.349 3.120 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1F 1934170 BPFCGGXSRLWDBX-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 69669580 RIMNVDDILJUEFU-HUUCEWRRSA-N 324.359 3.092 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2cccs2)c(C)c1 7216736 XNBKSYCHQPAZRM-UHFFFAOYSA-N 309.456 3.494 0 40 DGAB O=C(Nc1ccc(S(=O)(=O)C(F)F)cc1)C1CCCCC1 7407941 LFQLVTVKTLNYLI-UHFFFAOYSA-N 317.357 3.202 0 40 DGAB CC(C)NC(=O)Cc1csc(COc2ccc(Cl)cc2)n1 32836431 HSZJZBDAXKFFEE-UHFFFAOYSA-N 324.833 3.443 0 40 DGAB CCCCCNC(=O)NCc1c(C)nn(-c2ccccc2)c1C 32802107 HCVYTGADRBUIBB-UHFFFAOYSA-N 314.433 3.479 0 40 DGAB CCCc1cc(N[C@H](C)Cc2ccsc2)n2ncnc2n1 60451917 DOBMNFNJOYWRNM-LLVKDONJSA-N 301.419 3.181 0 40 DGAB O=C(NCCN1CCCC1)C(c1ccccc1)c1ccccc1 523644 AULRAAKNJYYTLO-UHFFFAOYSA-N 308.425 3.031 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100179636 FRINMYWKWPHCRN-WJQMWINMSA-N 323.392 3.033 0 40 DGAB CC(=O)c1cccc(NC(=O)Cc2csc3nc(C)cn23)c1 25050466 FKBMFZONDZCARU-UHFFFAOYSA-N 313.382 3.088 0 40 DGAB OCCCNc1ncnc2scc(-c3ccc(F)cc3)c12 1781950 ZQEPFSGYYOKKEN-UHFFFAOYSA-N 303.362 3.292 0 40 DGAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1cc(C2CC2)on1 58627155 WTDMFRNASKYAGH-UHFFFAOYSA-N 306.705 3.156 0 40 DGAB C[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)[C@@H](C)CO1 45445989 XTGVPYXYVBRLKB-KBPBESRZSA-N 300.402 3.126 0 40 DGAB Cc1cc(C)n(-c2ccc(NC(=O)c3n[nH]cc3Cl)cc2)n1 36615132 GFEWJXZWJOQILB-UHFFFAOYSA-N 315.764 3.118 0 40 DGAB COc1ccccc1[C@H](C)N[C@H](C)C(=O)NCc1cccs1 12796646 JSTIKEGQAARPQX-QWHCGFSZSA-N 318.442 3.112 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c(C)c1 12748277 FSWHYKQANXENEM-SFHVURJKSA-N 314.404 3.475 0 40 DGAB Cc1ccc([C@@H]2CCCN2Cn2ncc3ccccc3c2=O)cc1 12885516 DLZCZMDMJORASS-IBGZPJMESA-N 319.408 3.500 0 40 DGAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)/C=C/c1ccccc1 69743198 XFSHKDNHSCQQSJ-BQYQJAHWSA-N 304.353 3.432 0 40 DGAB CCn1c(C)nnc1S[C@H](C)C(=O)c1cc(F)ccc1F 70040419 PUTDXNHSOUTESI-MRVPVSSYSA-N 311.357 3.248 0 40 DGAB Cn1c(SCc2nc3ccccc3c(=O)[nH]2)nc2ccccc21 13598245 MCVQUWGDUFIAJO-UHFFFAOYSA-N 322.393 3.102 0 40 DGAB COc1cc(C(=O)OCc2cn3cc(C)ccc3n2)ccc1C 8352849 NMGVFOSLLXNSOH-UHFFFAOYSA-N 310.353 3.317 0 40 DGAB Cc1cc(C(=O)Oc2ccc3c(c2)OCO3)c2ccccc2n1 6213228 XMQYOGOULPOJID-UHFFFAOYSA-N 307.305 3.491 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccc3c(c2)nc(C)n3C)no1 65505174 CCODDDDNSBOZTI-QGZVFWFLSA-N 324.384 3.155 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccsc1)c1ccccc1Cl 14166485 QOUCMLGUJRHKPA-CYBMUJFWSA-N 323.801 3.436 0 40 DGAB O=C1NC2(CCCC2)C(=O)N1Cc1ccc(Cl)cc1Cl 4548180 VTSVAPUWASYODF-UHFFFAOYSA-N 313.184 3.358 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1OC 4680857 YKCFNHUAFBDEEY-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB CC(C)CNC(=O)c1cccc(NC(=O)Cc2cccs2)c1 4695749 WBEPCVLOXJIWPI-UHFFFAOYSA-N 316.426 3.315 0 40 DGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)c1ccc[nH]1 4602144 JADSDRKQDBRGMZ-UHFFFAOYSA-N 303.318 3.179 0 40 DGAB COc1ccccc1C(=O)N1CCN([C@H]2CCC[C@@H](C)C2)CC1 4745984 SQUUOBNSBPLQNM-CVEARBPZSA-N 316.445 3.032 0 40 DGAB COc1cccc(N2CC[C@H](CNC(=O)C[C@H](C)C3CC3)C2)c1 69586955 XASSGDASAQCYNW-LSDHHAIUSA-N 316.445 3.074 0 40 DGAB Cn1cc(/C=C/C(=O)N2CCC[C@H](c3ccccc3)CC2)cn1 66764952 DTTPWOZAJSNBLP-BBVFFXRHSA-N 309.413 3.230 0 40 DGAB COc1ccc(O)c(C(=O)c2cnn(-c3cccc(C)c3)c2)c1 15232229 DDWFGLOIZBAORY-UHFFFAOYSA-N 308.337 3.126 0 40 DGAB O=C(CN1CCc2ccccc2C1)Nc1cccc2ncccc12 8744860 KFWIUINHNUMLMN-UHFFFAOYSA-N 317.392 3.232 0 40 DGAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2cc(N)ccc2F)c1 19736604 MSXRISIEDUGWBE-LBPRGKRZSA-N 302.349 3.431 0 40 DGAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N(C)Cc1ccsc1 9387373 QFNBIPCKCWXSLI-JTQLQIEISA-N 310.369 3.485 0 40 DGAB COc1cc(C)ccc1O[C@H](C)C(=O)NCC1CCCCC1 9545036 PCMWWPPUGFWLDP-CQSZACIVSA-N 305.418 3.467 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccc(Cl)cc1 71859176 JOPJIDWBRYYDLK-YBTHPKLGSA-N 313.850 3.036 0 40 DGAB COc1ccc(NC(=O)c2ccccn2)cc1Br 71900013 MZMBSTPCGUVQCI-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB COc1cccc2cc([C@H](C)NCCc3nc(C)no3)oc12 97034680 BEOKYNNJFZTWAQ-JTQLQIEISA-N 301.346 3.026 0 40 DGAB C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1)c1cccs1 97017490 CMUHGFYGNIOKOS-MFKMUULPSA-N 321.373 3.323 0 40 DGAB CO[C@@H](C)c1noc(COc2cccc3c2OC(C)(C)C3)n1 89913705 ZHNRALPJHWTVIB-JTQLQIEISA-N 304.346 3.070 0 40 DGAB Fc1ccc(-c2n[nH]c(CNc3ccc(Cl)cn3)n2)cc1 72305641 BVCINRMZWSCHGI-UHFFFAOYSA-N 303.728 3.271 0 40 DGAB O=C(NCc1nc[nH]n1)c1cc(-c2ccccc2)ccc1Cl 95394936 XMTJHCWLBXRPLD-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB OCCOc1ccccc1CN[C@@H]1CCc2cc(Cl)ccc21 95423120 IOTLNTQCUCXHQZ-QGZVFWFLSA-N 317.816 3.488 0 40 DGAB O=C(N[C@@H]1CCc2[nH]ncc2C1)N(CC1CC1)C1CCCCC1 95425184 OGTHDEDRQJISCL-OAHLLOKOSA-N 316.449 3.021 0 40 DGAB CC(C)[C@@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccccc1 95466945 PKFCCVVNHMKEPX-OAHLLOKOSA-N 313.405 3.061 0 40 DGAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CCCCC4)on1 95407496 HLESPMLZKZWXOF-UHFFFAOYSA-N 315.398 3.072 0 40 DGAB Cc1ccc(-c2cc(Cn3c(=O)oc4cccnc43)on2)cc1 95963307 YRMQKOFCGKVNPW-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB O=c1[nH]c(C[C@@H]2CCCCO2)nc2cc(C(F)(F)F)ccc12 95993724 LQXHQAICEVXLCB-JTQLQIEISA-N 312.291 3.054 0 40 DGAB O=C(N[C@H]1CCCc2occc21)c1ccc(-c2ccco2)[nH]c1=O 75125286 HPCDMLYYAUKVBM-ZDUSSCGKSA-N 324.336 3.035 0 40 DGAB O=C(c1cccc2[nH]ccc12)N1CCO[C@H](c2cccc(O)c2)C1 89780613 QKMCWAHKMWTARS-SFHVURJKSA-N 322.364 3.087 0 40 DGAB CC(=O)c1ccc(NC(=O)COc2cccc3[nH]ccc23)cc1 20737480 QCDASNRUWAZNPU-UHFFFAOYSA-N 308.337 3.388 0 40 DGAB CON(C)C(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 24987022 XNWKYRXLIWXMBB-UHFFFAOYSA-N 317.370 3.202 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 36020405 FJZKBPUBWKYMHG-HTZOKLMBSA-N 302.414 3.346 0 40 DGAB C[C@H](NC(=O)c1ccncc1)c1ccc(-c2cncnc2)cc1 73251980 DJXAJLXUAJSIOY-ZDUSSCGKSA-N 304.353 3.030 0 40 DGAB O=C(O)[C@@H](c1ccc(OCc2ccccc2)cc1)N1CCCC1 70453334 CEDYFAHSMSXLQJ-GOSISDBHSA-N 311.381 3.487 0 40 DGAB O=C(CCc1ccccn1)NC1(c2cccc(Cl)c2)CC1 76935203 GUPRPQZDDNCKQK-UHFFFAOYSA-N 300.789 3.473 0 40 DGAB CC(C)c1ccc([C@H]2CCCCN2C[C@](C)(O)C(=O)O)cc1 566361658 LCTIYAYCVPSPOR-AEFFLSMTSA-N 305.418 3.173 0 40 DGAB COCc1nc2c(s1)CN(C(=O)c1ccc(Cl)cc1)CC2 41194456 CYEKELAKJVVWKU-UHFFFAOYSA-N 322.817 3.141 0 40 DGAB CNc1nc(-c2ccc(OC)c(NC(=O)C3CC3)c2)cs1 226098360 HMOJLVCHJONODN-UHFFFAOYSA-N 303.387 3.209 0 40 DGAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C(C)C 222852004 IJEDPQRKGCBEMG-JKSUJKDBSA-N 314.458 3.284 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@H]1CCOC1 96459201 ILDVEKCAWSAFMX-LURJTMIESA-N 322.561 3.217 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)C1 97234469 RMBYJXADCZLHKX-RBSFLKMASA-N 322.478 3.321 0 40 DGAB CCn1cc2c(n1)[C@H](COC)CN(Cc1ccc(C)s1)C2 96059882 PKUHKPWGBVMCTE-AWEZNQCLSA-N 305.447 3.019 0 40 DGAB O=C(NC1CCC(F)(F)CC1)c1cccc(-n2cccn2)c1 342056873 NIVBYNCWPYFBBA-UHFFFAOYSA-N 305.328 3.180 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1C[C@@H]1c1ccco1 245344203 YBYKPWDGYXBMPF-KBMXLJTQSA-N 310.397 3.250 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cc(CC(C)C)no1 257289655 PZPSIRQLQNDOST-CQSZACIVSA-N 316.405 3.272 0 40 DGAB COCC1(C(=O)NC[C@H](C)c2nc3ccccc3s2)CCC1 252498623 RGFKMVJITLYQIU-LBPRGKRZSA-N 318.442 3.333 0 40 DGAB CC(=O)N1CCC[C@@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257240126 HSDMYHOJPXTKIS-GOSISDBHSA-N 316.376 3.305 0 40 DGAB O=C(Cc1ccsc1)NC1(c2cccs2)CCOCC1 390829229 XPEVSELIYOENAF-UHFFFAOYSA-N 307.440 3.174 0 40 DGAB O=C(N[C@H]1C[C@@H]1c1cccc(F)c1)c1cc2ccccc2oc1=O 67091886 RKSAUQOFHVWGEW-ZBFHGGJFSA-N 323.323 3.218 0 40 DGAB COc1ccc([C@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1Cl 69776219 RMAFNDUGSWVLJH-GXTWGEPZSA-N 324.852 3.258 0 40 DGAB C[C@](O)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 70639592 HJBVJZWZZJAWCW-BTCBHJBXSA-N 313.441 3.227 0 40 DGAB COc1ccc(OCC(=O)Nc2ccc(OC(C)C)cc2)cc1 5644327 IDKGNVXAXSLPSC-UHFFFAOYSA-N 315.369 3.500 0 40 DGAB CCNS(=O)(=O)c1ccc(-c2ccc(OCC)cc2)cc1 11566459 YDOLITQXFUXDMX-UHFFFAOYSA-N 305.399 3.051 0 40 DGAB Cc1occc1-c1nc(N2CCCCC2)ncc1-c1cnccn1 12739004 DMMIXYTWKXPUDG-UHFFFAOYSA-N 321.384 3.492 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2Cl)C1 13646478 PCYURQFCTSIWCX-OKILXGFUSA-N 308.853 3.438 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCc3ccccc32)c1 18078408 IVEQMBFKPHBIRP-UHFFFAOYSA-N 306.365 3.016 0 40 DGAB C[C@@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc2c(c1)OCO2 27687635 GUGYCMSQNQZYNJ-GFCCVEGCSA-N 323.348 3.069 0 40 DGAB CCOC(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C 953018923 IWWLBTIYDLXXED-GDBMZVCRSA-N 319.401 3.234 0 40 DGAB Brc1ccc(C2=N[C@H]3c4ccccc4C[C@H]3O2)nc1 1988187984 FSQRABKCFHVOFA-KGLIPLIRSA-N 315.170 3.287 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)/C=C/c1ccccc1 4135043 KCVIUDXXAFGYQH-ZHACJKMWSA-N 306.321 3.184 0 40 DGAB Cc1cccn2c(=O)nc(SC/C=C/c3ccccc3)nc12 4503982 WKTISMAFSMBGNT-UXBLZVDNSA-N 309.394 3.203 0 40 DGAB Cc1cccc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c1 5153392 AJJYKAOWOMSPGZ-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB Cc1nc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)sc1C 100175320 ANWJVHXPSHGFCI-HOTGVXAUSA-N 306.431 3.484 0 40 DGAB CC1CCN(C[C@H](O)COc2ccc(C(C)(C)C)cc2)CC1 313258 LNGKMRBDRAFHSM-KRWDZBQOSA-N 305.462 3.456 0 40 DGAB COc1cccc(N2CCN(c3ccc(Cl)cn3)CC2)c1 90345070 YXFSZIYSOTUIJM-UHFFFAOYSA-N 303.793 3.070 0 40 DGAB COc1ccc(CCN(C)c2cnc3ccccc3n2)cc1OC 30561254 WGSCUIFYBDJBQG-UHFFFAOYSA-N 323.396 3.326 0 40 DGAB O=C(C[C@H](NCc1cccs1)C(=O)O)c1ccc(Cl)cc1 41843 OJEQASZBWFPBMY-ZDUSSCGKSA-N 323.801 3.217 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1ccccc1Cl 130829 FATONHCGBTYFIK-UHFFFAOYSA-N 317.772 3.455 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@@H](C)C1 36714410 MRJBVEBWQGLNNP-KDOFPFPSSA-N 312.413 3.209 0 40 DGAB Cc1sc(NC(=O)C2CC2)c(C(=O)OC[C@@H]2CCCO2)c1C 11563928 WDBGSCVGQNHWFO-LBPRGKRZSA-N 323.414 3.049 0 40 DGAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F 7404572 BOABFPSPQFAPJO-LBPRGKRZSA-N 305.374 3.356 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(C(=O)NC(C)(C)C)CC1 2513662 CCVZFNLQHVQYBS-UHFFFAOYSA-N 309.841 3.279 0 40 DGAB Cc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 101026386 LPYFSVYQLVDJQS-INIZCTEOSA-N 307.332 3.177 0 40 DGAB CCN(C[C@H](O)COc1ccc(C(C)=O)cc1)C1CCCCC1 1475576 JYXKEGINCUOKHZ-SFHVURJKSA-N 319.445 3.284 0 40 DGAB Cc1cc(C)n2nc(C(=O)Nc3ccc(C(C)(C)C)cc3)nc2n1 2638743 UEJKELXCIQVZNA-UHFFFAOYSA-N 323.400 3.291 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)n1nnc2ccccc21 3191864 VOCXYVVYSFBVGO-UHFFFAOYSA-N 322.151 3.457 0 40 DGAB C[C@@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccccc1 3452794 MHOHOKIETOSOLE-CYBMUJFWSA-N 324.409 3.387 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2cccc(Cl)c2F)cc1 20933459 FHAOSOBUEGPHSG-UHFFFAOYSA-N 320.751 3.368 0 40 DGAB C[C@H](NC[C@@H](O)COCc1cccs1)[C@@H]1C[C@H]2CC[C@H]1C2 102145508 RDPZQLWGYFRVLV-JGFGOLAASA-N 309.475 3.040 0 40 DGAB Cc1ccc(C(=O)[C@H](C)Sc2nnnn2-c2ccccc2)cc1 2651489 HMHITLMULLRSLD-ZDUSSCGKSA-N 324.409 3.334 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)NCCSCc1ccco1 8041703 JHQFTUOXCXEDPT-INIZCTEOSA-N 319.426 3.487 0 40 DGAB COc1ccc([C@@H](C)NC2CCOCC2)cc1Br 37105857 LXPHTMMXDYRKFT-SNVBAGLBSA-N 314.223 3.287 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1CC(c2ccccc2)=NO1 33167654 WPIJHGRMVCVGSK-AWEZNQCLSA-N 313.382 3.152 0 40 DGAB CS(=O)(=O)CCCN1CCC[C@@H]1c1cccc2ccccc12 103141445 BRBPUWCDHPEWOT-GOSISDBHSA-N 317.454 3.411 0 40 DGAB COc1cccc(SCC(=O)n2cccc/c2=N\C(C)C)c1 103315664 JCQBRUKSQAKFJX-FBMGVBCBSA-N 316.426 3.238 0 40 DGAB Cc1cn2c(CC(=O)N[C@H](C)[C@H]3C[C@H]4CC[C@H]3C4)csc2n1 103413928 GJYBZBRJBONUST-UKTARXLSSA-N 317.458 3.188 0 40 DGAB CCOc1cccc(CNS(=O)(=O)c2cc(C)ccc2C)c1 56071320 RYHFQOZQGFCUQJ-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1nccs1 42652154 WMFKHZBPPBIFER-LBPRGKRZSA-N 320.418 3.085 0 40 DGAB O=C(OCc1cccc(F)c1F)c1cc2ccccc2c(=O)[nH]1 24509425 WKFGURFDIWZIOE-UHFFFAOYSA-N 315.275 3.163 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c(C)c1 100736910 QBBAWFDMPDVLTB-WCVJEAGWSA-N 307.393 3.313 0 40 DGAB CCn1cnnc1SCc1nc(-c2ccc(Cl)cc2)no1 7868728 UNLIDRVNXYMFPZ-UHFFFAOYSA-N 321.793 3.294 0 40 DGAB C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccc(F)cc1 12539497 JINRDCMWHHMQEQ-SNVBAGLBSA-N 312.300 3.130 0 40 DGAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 100750189 MTCCMEDODPNOBJ-DAYGRLMNSA-N 315.461 3.017 0 40 DGAB CC(=O)c1cc(C(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1 44231356 WZUUSSGOCQJCCB-VXGBXAGGSA-N 316.323 3.079 0 40 DGAB COCCOc1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 44301329 MPLGXLBLMJIKKE-CJNGLKHVSA-N 306.406 3.412 0 40 DGAB COc1cccc([C@H]2C=C(c3ccccc3)N=C3NN=NN32)c1 1805473 LGFWDVWXCNRCSV-MRXNPFEDSA-N 305.341 3.334 0 40 DGAB CCC[C@@H](Nc1ncnc2ccc(Br)cc12)C(=O)O 1912282 CUDATLCKNUUVIF-LLVKDONJSA-N 324.178 3.058 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C)c1 10277510 MOIBBDCIANKLQA-GDZNZVCISA-N 302.418 3.385 0 40 DGAB COCCn1cc(NC(=O)N[C@H](c2cccs2)C(C)C)cn1 44967124 RVXPJSBNANZBID-AWEZNQCLSA-N 322.434 3.110 0 40 DGAB C[C@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC(C)(C)C 10535904 KFJOZTQUDUCPIH-QMMMGPOBSA-N 306.353 3.496 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N1CCc2sccc2C1 10924820 CWFDSGKWKPZRMN-ONEGZZNKSA-N 321.833 3.042 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)Cc2ccccc2C)c1C 58958409 FLRDWNZXWAYZBT-UHFFFAOYSA-N 312.413 3.217 0 40 DGAB O=C(CCSCc1ccccn1)NCCc1cccs1 48222907 QYDLBCURCQMHLO-UHFFFAOYSA-N 306.456 3.125 0 40 DGAB c1ccc2oc(N3CCC[C@H]3c3nnc4n3CCCCC4)nc2c1 48345575 KWHKHAMKFOPDFX-AWEZNQCLSA-N 323.400 3.487 0 40 DGAB COc1ccc(C(=O)OCc2ccccc2F)c(OC)c1OC 3403598 WAQYTKVBAPLSTI-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB CC1CCC2(CC1)NC(=O)N(Cc1c(F)cccc1Cl)C2=O 3457992 ZWSBYZKICSIPEI-UHFFFAOYSA-N 324.783 3.480 0 40 DGAB O=C(c1ccc2ccccc2n1)N1CCCC[C@@H]1Cn1cccn1 69778626 RCLNMGMFFVEVTF-MRXNPFEDSA-N 320.396 3.126 0 40 DGAB Cc1ccc(C2=NN(c3cccc(C(=O)O)c3)C(=O)CC2)s1 13087001 HNSYWAHKKSIZNS-UHFFFAOYSA-N 314.366 3.286 0 40 DGAB CC/C=C(\C)C(=O)NCc1ccc(N2CCCCCC2)nc1 48940045 QJSSLHNLQLJJNS-OVCLIPMQSA-N 301.434 3.435 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(N)c1 3885486 ADXNDRWIQBHXKF-UHFFFAOYSA-N 310.806 3.137 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2cccnc2)c1 13201422 MBKOICCNUFEXEG-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB COCc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 25334741 JBYSCDDBECUJDE-LBPRGKRZSA-N 303.333 3.378 0 40 DGAB O=C1C[C@@H](c2cccc(F)c2)c2c(c3ccccc3[nH]c2=O)O1 13571359 LFXSLAPNGXZTTQ-ZDUSSCGKSA-N 309.296 3.108 0 40 DGAB C[C@H]1C[C@H](c2ccccc2)n2nc(NC(=O)C(C)(C)C)nc2N1 5272129 LAMVUFDHLBTFEL-WCQYABFASA-N 313.405 3.056 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)c1 69442351 JWBRLOSPNQXMHD-OAHLLOKOSA-N 301.390 3.187 0 40 DGAB CSCc1nnc(SCc2cn3cccc(C)c3n2)o1 65551776 XAPYYRBVCAZCAO-UHFFFAOYSA-N 306.416 3.181 0 40 DGAB Cc1ccc2cc3c(nc2c1)N(NC(=O)c1ccccc1F)CC3 5323258 CWNHEXHAJGEPBM-UHFFFAOYSA-N 321.355 3.390 0 40 DGAB COc1ccc([C@@H](NC(=O)c2c(C)noc2C)C(C)C)cc1 14166218 ZWLRIJQZSSJTGZ-INIZCTEOSA-N 302.374 3.427 0 40 DGAB Cc1sc2nc([C@H](C)N3CCC(C)CC3)[nH]c(=O)c2c1C 8424857 YKRCUJGBSJDNLL-NSHDSACASA-N 305.447 3.394 0 40 DGAB COc1cccc(OC)c1OC(=O)[C@H](C)Oc1ccc(C)cc1 6639598 NFZKYTWHASKHAA-ZDUSSCGKSA-N 316.353 3.385 0 40 DGAB Cc1sc2ncn3nc(-c4ccc5c(c4)OCO5)nc3c2c1C 4784404 DOQACNCJLBXZIT-UHFFFAOYSA-N 324.365 3.352 0 40 DGAB Clc1ccccc1[C@H]1CN(CCc2ccncc2)CCO1 69594407 RSJNMWCUXLUTJD-QGZVFWFLSA-N 302.805 3.351 0 40 DGAB Cc1cc2oc(=O)cc(CSc3cccc[n+]3[O-])c2cc1C 4825511 WBWVXUBAWNHGGC-UHFFFAOYSA-N 313.378 3.336 0 40 DGAB Clc1ccc(-c2cnc(CN3CC(n4cccn4)C3)o2)cc1 69810845 GAERQQPUVSVXRU-UHFFFAOYSA-N 314.776 3.248 0 40 DGAB C[C@@H](NCc1cc(-c2cccs2)on1)[C@@H](C)n1cccn1 69951937 GZXQZTSIHYYUKQ-VXGBXAGGSA-N 302.403 3.339 0 40 DGAB CCOC(=O)c1cnc2c(C)c(Cl)ccc2c1NCCCO 5958478 SMCYVNCZQPURJX-UHFFFAOYSA-N 322.792 3.168 0 40 DGAB Cc1occc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 21706229 MNBLWUWCRLDGIG-HNNXBMFYSA-N 313.353 3.337 0 40 DGAB COc1ccc(NC(=O)C2=Cc3ccccc3OC2)c(OC)c1 9112244 XPQGVXOZPUPIOD-UHFFFAOYSA-N 311.337 3.118 0 40 DGAB COC(=O)c1sccc1CN1Cc2ccccc2OC[C@H]1C 96007877 OZSWYLGIWMEBKA-GFCCVEGCSA-N 317.410 3.318 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@H](C)c1nc(C(C)(C)C)no1 72299747 RHLXREACPNOSPB-DGCLKSJQSA-N 317.437 3.312 0 40 DGAB O=C1CCCN1CCN1CCSC[C@H]1c1ccc(Cl)cc1 72286555 JCUCSXVQKRZAKM-HNNXBMFYSA-N 324.877 3.052 0 40 DGAB c1ccc2oc([C@H]3CCCN(Cc4nnc(C5CC5)o4)C3)nc2c1 71824715 UDTWNVWBPKSZHN-ZDUSSCGKSA-N 324.384 3.468 0 40 DGAB CN1CCC[C@@H](CSc2nnc(NCc3ccco3)s2)C1 71804183 NKIGGWINBOXSCZ-LLVKDONJSA-N 324.475 3.177 0 40 DGAB CSc1ccc(C(=O)NCc2ccc(-n3cccn3)cc2)o1 71899958 PLQGTAFNOAZNRN-UHFFFAOYSA-N 313.382 3.117 0 40 DGAB Cc1cccc([C@H]2CCCCCN2C(=O)Cc2cnn(C)c2)c1 71910494 CHOARGUFUKUFBM-GOSISDBHSA-N 311.429 3.415 0 40 DGAB C[C@@H]1CCC[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)[C@@H]1C 97080720 WHUVVLSTUBWZTE-CKEIUWERSA-N 309.475 3.146 0 40 DGAB O=C(N[C@H]1CCC[C@H]1CO)c1ccc(CCC(F)(F)F)cc1 95433982 BSLPLQWSTPXEEM-KBPBESRZSA-N 315.335 3.072 0 40 DGAB CC1CCN([C@@H](CN)c2ccccc2OC(F)(F)F)CC1 20016658 LDSVURVHZNNSHU-ZDUSSCGKSA-N 302.340 3.317 0 40 DGAB Cc1cnccc1NS(=O)(=O)c1ccccc1C(F)(F)F 75137616 BZZDDLJPZJLFNU-UHFFFAOYSA-N 316.304 3.210 0 40 DGAB CCCCC(=O)Nc1cc2nc(O)[nH]c2cc1N(CC)CC 408534715 WNJDFFVLWPQRLN-UHFFFAOYSA-N 304.394 3.243 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H](c3nccs3)C2)s1 67047116 JSELVGMFMYZLSL-LBPRGKRZSA-N 306.456 3.462 0 40 DGAB C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@H]1CO 189746703 BCDPBDXZBRHBHR-DYVFJYSZSA-N 318.417 3.243 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1cccc2nsnc12 35672808 NAYQFNYEZJZMKF-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CCn1c(=O)n(CC)c2cc(NC(=O)Cc3ccccc3)ccc21 408526742 CHKCYYZJKONLKG-UHFFFAOYSA-N 323.396 3.024 0 40 DGAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@](C)([C@@H](O)CO)C=C3CC[C@H]12 36375260 NCAZLDCEJHFJDT-SOTAWHFNSA-N 322.489 3.280 0 40 DGAB biogenic,in-vitro O=C(c1ccc(Cl)c(F)c1)N1CCC(Cc2cnc[nH]2)CC1 1520814847 UXPDLLBEAVAOOO-UHFFFAOYSA-N 321.783 3.297 0 40 DGAB CN(C)C(=O)c1cccc([C@@H]2CCCN2C2CCCCC2)n1 72355750 MWVFLPAISRXEKF-KRWDZBQOSA-N 301.434 3.253 0 40 DGAB CCCCNc1nc(N(C)c2ccccc2)nc(-n2ccnc2)n1 37868558 KUGLEHGRXKMLME-UHFFFAOYSA-N 323.404 3.037 0 40 DGAB O=C(Nc1ccccc1Cl)[C@H]1CC(c2ccccc2)=NO1 33145403 YVZPFUPBDOISFE-OAHLLOKOSA-N 300.745 3.472 0 40 DGAB CCc1ccc(NC(=O)C(=O)NC2CCC(CC)CC2)cc1 73743205 MYNRXFPKZKDVOR-UHFFFAOYSA-N 302.418 3.273 0 40 DGAB O=C(CSc1ccc(F)cc1)NC[C@@H]1Cc2ccccc2O1 33112431 WVHMQNSWGCXNKR-AWEZNQCLSA-N 317.385 3.038 0 40 DGAB CCn1c(=O)n2nc(-c3ccco3)nc2c2c(C)c(C)sc21 32072603 MGOCSJXEFPPFLZ-UHFFFAOYSA-N 314.370 3.002 0 40 DGAB CC[C@@](C)(NCc1ccccc1)c1nnnn1-c1ccc(C)cc1 35622745 KSYQYLWMNZBIHL-LJQANCHMSA-N 321.428 3.386 0 40 DGAB COc1cccc(C[C@H]2CCCN2CCc2cscn2)c1 562528966 YIFWBDFISOVHGD-MRXNPFEDSA-N 302.443 3.401 0 40 DGAB Cc1cc2nc(NN)sc2c(C)c1NC(=O)c1ccccc1 45888498 OBFKVBXLMBLCRN-UHFFFAOYSA-N 312.398 3.451 0 40 DGAB COCc1ccccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 44550714 YYTZGBHXMNTPBZ-SJCJKPOMSA-N 313.353 3.000 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCC2CCCCC2)c(C)c1 225205484 YODNJPRCVIVIKW-UHFFFAOYSA-N 311.447 3.171 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NCC(C)C 224664788 YAXJGZNDGFYXMA-QGZVFWFLSA-N 318.461 3.284 0 40 DGAB CCOc1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 224695645 DLCCRQXSFKRRHB-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB Cc1cnc(C(=O)N2CC[C@H](CSc3ccccc3)C2)cn1 81286999 FQFHEGWPOHCLSJ-AWEZNQCLSA-N 313.426 3.039 0 40 DGAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)Nc1cccs1 225789843 ILRJIHSOSIOOKD-CQSZACIVSA-N 302.399 3.353 0 40 DGAB Brc1ccc(-c2nc([C@@H]3CCCCN3)no2)cc1 40443334 VRYMDAKGUVNNDJ-NSHDSACASA-N 308.179 3.314 0 40 DGAB O=C(NCc1ccccc1)c1cc2cccc(Cl)c2oc1=O 226038956 DWRPQYSZYMIANY-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB C1=C[C@@H]2C[C@H]1C[C@@H]2CN1CCN(CCCc2ccccc2)CC1 222215909 RNNMSKIARPGIKI-PWRODBHTSA-N 310.485 3.449 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccccc3C2)C1 96479090 AUFAZGJAZBFXIX-OOSNJVJTSA-N 305.487 3.213 0 40 DGAB c1ccc(O[C@@H]2COC3(CCN(Cc4ccccn4)CC3)C2)cc1 96073189 CPIPEMMBHWFQAW-IBGZPJMESA-N 324.424 3.284 0 40 DGAB CCOc1ccc(CCC(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)cc1 96045970 DIIKZVNZHSFYIY-ZVZYQTTQSA-N 317.429 3.044 0 40 DGAB CC(C)c1nnc2n1C[C@H](NCc1ccc(Cl)s1)CC2 97199488 NGPUWDTXOVMPLM-SNVBAGLBSA-N 310.854 3.221 0 40 DGAB Cc1cc(Cl)cc(C)c1O[C@H](C)c1nnc2n1CCOC2 580570642 GHEPIDCAQRCSDS-LLVKDONJSA-N 307.781 3.219 0 40 DGAB Oc1cccc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)n1 585120251 BTPLTTPGEUBHDR-OAHLLOKOSA-N 322.368 3.174 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 257283126 OWVWCFJXNBXVSJ-CQSZACIVSA-N 322.412 3.294 0 40 DGAB CC(C)C[C@H](CN[C@@H]1CCC[C@H](c2cccnc2)C1)C(=O)O 263116211 ZPWNZKWCNTUBRC-USXIJHARSA-N 304.434 3.444 0 40 DGAB O=C(CC(F)(F)F)N1CCC(Oc2ccncc2Cl)CC1 390826381 JMKKTPHBOSZQJW-UHFFFAOYSA-N 322.714 3.057 0 40 DGAB O=C(Cc1ccccc1Cl)N1CC[C@H](c2ccccn2)C1 575603961 MUHWGUJZZRQHPQ-AWEZNQCLSA-N 300.789 3.294 0 40 DGAB CCOC(=O)c1cnc2ccccc2c1NC[C@@H]1CCCO1 50928280 WTBVHVFAYKRSIQ-LBPRGKRZSA-N 300.358 3.002 0 40 DGAB C[C@@H](O)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 69626270 QHHTTWHQSQBVPJ-CYBMUJFWSA-N 308.381 3.080 0 40 DGAB COc1ccccc1C[C@H]1CCCN1C(=O)Nc1ccncc1 69676316 PWPVKMYBJDLHAA-MRXNPFEDSA-N 311.385 3.329 0 40 DGAB Cc1nc(NCc2cccc(F)c2)cc(C2CCNCC2)n1 72365084 VRLOXSMNJYTVQG-UHFFFAOYSA-N 300.381 3.003 0 40 DGAB Nc1cc(-c2ccc(Br)c(C(F)(F)F)c2)n[nH]1 124491028 AFAOJUFMKFMIRR-UHFFFAOYSA-N 306.085 3.440 0 40 DGAB CCCCO[C@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 1543531990 BLBGLKLUZFRNHI-HOTGVXAUSA-N 315.417 3.048 0 40 DGAB Cc1nc2ccccc2n1C1CN(c2ncnc3sccc23)C1 1775974492 TYGYSHOPZWLHMH-UHFFFAOYSA-N 321.409 3.411 0 40 DGAB Cc1c(Cl)ccc2c1NC(=O)[C@]2(O)CC(=O)c1ccccc1 5567333 YVMFCOJRWCGURT-KRWDZBQOSA-N 315.756 3.061 0 40 DGAB COC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 15953794 JXLWJCVCHNLVIM-SOLBZPMBSA-N 319.401 3.130 0 40 DGAB biogenic Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3cccnc3)o2)cn1 19215104 WFMWWWAQWOMJGW-INIZCTEOSA-N 321.384 3.172 0 40 DGAB c1csc(-c2cc3cccnc3n2CCN2CCOCC2)c1 19347195 WKQACAKFQZELLB-UHFFFAOYSA-N 313.426 3.097 0 40 DGAB CC(=O)N1CCCCC[C@@H]2[C@@H]1CCN2Cc1cccc(C)c1 19712156 BAXOGCVLEAWGKG-MOPGFXCFSA-N 300.446 3.360 0 40 DGAB CCN1CCCCN[C@@H]2CCCC[C@@H]2Oc2ccccc2C1=O 643561452 MNLZDYPOSRBSKC-AEFFLSMTSA-N 316.445 3.222 0 40 DGAB O=C(C1CCCC1)N1CC[C@H](Oc2ccc3ccccc3n2)C1 252537464 LGRVARPQJAYRBC-INIZCTEOSA-N 310.397 3.405 0 40 DGAB COc1ccc(CN(C)C(=O)c2cn(C(C)C)nc2C)cc1C 580089479 GXBAYJKVJSJKNQ-UHFFFAOYSA-N 315.417 3.362 0 40 DGAB O=C(CSC1CCCC1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828009 NJULSHMUADPNMB-AWEZNQCLSA-N 323.462 3.067 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2)C1 3312294 JOBJAPNZHWNASZ-RYUDHWBXSA-N 309.793 3.001 0 40 DGAB CCN(C(=O)CSc1ncccc1C(=O)O)C1CCCCC1 3354201 AZQBBJFSQBARRS-UHFFFAOYSA-N 322.430 3.053 0 40 DGAB O=C(NCc1cc(-c2ccccc2)ncn1)c1ccccc1F 585357982 OUOAYLGRTJJEIJ-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(Cl)c(F)c1 39956978 VDJNAHJXLUXEJK-SNVBAGLBSA-N 303.717 3.130 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cccc3c2ccn3C)c1 40266321 QUVTYUOLPFEWBH-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@@H](O)c1ccccc1F 40526393 BUFZSGZVPYOFDQ-OAHLLOKOSA-N 302.349 3.298 0 40 DGAB CCOCc1ccc(CNC(=O)NCCc2ccccc2)cc1 28994032 SKUQKFYUGDBZKC-UHFFFAOYSA-N 312.413 3.265 0 40 DGAB CCCn1nnnc1NC(=O)c1ccc(-c2ccccc2)cc1 569431 UVSUWADPZBDBNV-UHFFFAOYSA-N 307.357 3.002 0 40 DGAB COc1ccc(NC(=O)c2c(-c3ccccc3)noc2C)cn1 2534731 OWPCYOOIUUNLDS-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C1OCCN1CCc1nc(-c2cc(F)ccc2F)cs1 45816815 HVSRFAWTTQMFEU-UHFFFAOYSA-N 310.325 3.083 0 40 DGAB O=C(NCc1ccsc1)NCc1cccc(OC(F)F)c1 51303137 VRSXMTJELUJSCQ-UHFFFAOYSA-N 312.341 3.349 0 40 DGAB [O-][n+]1c2c([n+]([O-])c3ccccc31)CCCCCCCCCC2 1613792 JHHMCBWFKYQJPB-UHFFFAOYSA-N 300.402 3.326 0 40 DGAB CCCCCOC(=O)c1cccc(NC(=O)CN(CC)CC)c1 1671752 OEDPOLZJSJHMKR-UHFFFAOYSA-N 320.433 3.314 0 40 DGAB O=C1c2ccccc2CC[C@@H]1Sc1nnc(-c2ccncc2)o1 4279704 HACUHSCSLFEULP-AWEZNQCLSA-N 323.377 3.421 0 40 DGAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@H](c2ccccc2)[C@@H]1c1ccccc1 4973010 YAQLZIKGHVLJJZ-MHORFTMASA-N 324.376 3.146 0 40 DGAB O=C(CN1C2=[N+](CCS2)C[C@H]1c1ccccc1)c1ccccc1 6116293 OLQCVOAQCJAAMJ-KRWDZBQOSA-N 323.441 3.042 0 40 DGAB Cc1ccc(C)c([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678350 FXRFGCAEQNLUBV-FZMZJTMJSA-N 301.415 3.498 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cc(Cl)ccc2O)c1 21518785 KAMDNDFPGLSOLU-UHFFFAOYSA-N 304.733 3.256 0 40 DGAB O=C(N[C@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccccc12 32819909 SXKVENRONXMXSF-INIZCTEOSA-N 319.408 3.172 0 40 DGAB CCC(C)(C)NC(=O)CCc1c(C)nc2c(c(C)nn2C)c1C 32892732 ZQCBOGOCVCRPEV-UHFFFAOYSA-N 316.449 3.131 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 32981767 SRAXYRGRIPRZQX-UHFFFAOYSA-N 313.357 3.045 0 40 DGAB Cc1c(C(=O)Nc2n[nH]c(-c3ccccn3)n2)oc2ccccc12 32934784 RSALZEGVGIKJMZ-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)N[C@@H](C)c2ccncc2)c1 57279328 QSXPRHPIYMRNHW-AWEZNQCLSA-N 308.385 3.007 0 40 DGAB O=C(Cc1cccc2ccccc12)NCCc1ccc(O)cc1 54040814 HGURIFGQEQIDAG-UHFFFAOYSA-N 305.377 3.447 0 40 DGAB CN1C[C@]2(C)CN(C(=S)Nc3ccccc3)C[C@@](C)(C1)C2 100333279 RHDRZTNIKIGIQY-IAGOWNOFSA-N 303.475 3.047 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N(C)C2=CCCC2)cc1 42689093 IABCRIADPNDALZ-UHFFFAOYSA-N 304.415 3.263 0 40 DGAB O=C(NCCCCc1ccccc1)c1cc(=O)[nH]c2ccccc12 24926183 GXSWOVUNSFZSKU-UHFFFAOYSA-N 320.392 3.281 0 40 DGAB CCOc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106519753 LWPHRFLXYGBXNO-LLDVTBCESA-N 317.429 3.405 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCCCO2)c1nc(C2CC2)no1 56143076 DSDBRVFRHFCYPW-SNVBAGLBSA-N 301.346 3.281 0 40 DGAB Cc1ccc(C)c(-n2nnc3c2SC[C@@]3(O)c2ccccc2)c1 35682858 GPOROXGKFUVXDD-GOSISDBHSA-N 323.421 3.226 0 40 DGAB O=C(COC(=O)c1cnc(Cl)c(Cl)c1)c1ccccc1 3228166 UDECZCJOPZIEEL-UHFFFAOYSA-N 310.136 3.428 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccc(O)c(Cl)c1)c1ccsc1 58155280 IJJLACWDMDLSDR-CYBMUJFWSA-N 324.833 3.140 0 40 DGAB Cc1cc(N(C)C)ccc1NC(=O)Cc1c(C)noc1Cl 58280892 BMEXCSBDROKEOM-UHFFFAOYSA-N 307.781 3.192 0 40 DGAB Fc1ccc(Cl)cc1-c1nnc2sc(-c3cc[nH]n3)nn12 36360793 FPDWDWMPHSJALE-UHFFFAOYSA-N 320.740 3.035 0 40 DGAB Cc1ccc(-c2noc(COC(=O)c3ccsc3)n2)cc1 25119279 RVLPXXIODFTRFP-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB CCOc1ccc(C(=O)OCc2c(C)noc2C)cc1OCC 3319494 RVPJRRQWBKRDPN-UHFFFAOYSA-N 319.357 3.446 0 40 DGAB Cc1ccc(Oc2ccc(Oc3ccc4nnnn4n3)cc2)cc1 12748112 QMVZHJJDTQTXDH-UHFFFAOYSA-N 319.324 3.412 0 40 DGAB CCn1ncc2ccc(NC(=O)c3cnc4ccccc4n3)cc21 62581578 HAHYBYSPHJRMQG-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1cc(F)cc(F)c1 12993041 ZTBRVWZFOIQFJD-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB Cc1ccnc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)c1 69453259 YLEBVZWOOGQFMF-MRXNPFEDSA-N 323.396 3.023 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 48908098 QDWRCTMIQIDNPW-CQSZACIVSA-N 316.445 3.411 0 40 DGAB Cc1nn(C)c(Cl)c1CNC1CCN(CC2CCCC2)CC1 63319777 MXCHBFYGKMRNHU-UHFFFAOYSA-N 324.900 3.126 0 40 DGAB Cc1cc(COC(=O)Cc2csc(-c3cccs3)n2)no1 17936602 AKSWCUJRFIAFDM-UHFFFAOYSA-N 320.395 3.454 0 40 DGAB Cc1cc(Br)cc2sc(NC(N)=S)nc12 22125073 VWJCRPYBSJDOJB-UHFFFAOYSA-N 302.222 3.023 0 40 DGAB CC[C@@H]1c2cccn2CCN1Cc1cnc(SC)n1CC 13995721 KVQHELNCKHVZKM-CQSZACIVSA-N 304.463 3.393 0 40 DGAB CCn1c(C)cc(C(=O)COC(=O)c2sc(C)nc2C)c1C 6366568 MBVIPKIIXHAJAR-UHFFFAOYSA-N 320.414 3.238 0 40 DGAB NC(=O)C1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 65492757 CKRPRZIAGJNKBR-UHFFFAOYSA-N 322.408 3.128 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CCC(Cc3ccccc3)CC2)c1 14138853 XGVNTPUZMPWPJV-UHFFFAOYSA-N 310.397 3.312 0 40 DGAB CC(C)(C)OC(=O)N1N=C2CCCCC[C@@H]2[C@@]1(O)C(F)(F)F 4503226 KPWCHMCWGLGPEW-TVQRCGJNSA-N 322.327 3.424 0 40 DGAB C[C@@H](OC(=O)c1csc2c1CCCC2)C(=O)NC1CCCC1 5968348 KAFBBUODRWQVPL-LLVKDONJSA-N 321.442 3.231 0 40 DGAB CCc1cccc(NC(=O)COC(=O)Cc2ccc(C)cc2)c1 7069861 PWTURNBFMXATFJ-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2cc(C)nn2C2CCCC2)n1 28245690 YPEZZIPEGCNZFH-UHFFFAOYSA-N 321.812 3.429 0 40 DGAB CCCn1c(NC(=O)[C@H]2Cc3ccccc3O2)nc2ccccc21 15586721 MWEHAZRVTAOWFB-QGZVFWFLSA-N 321.380 3.389 0 40 DGAB Cc1nc(SCC(=O)N[C@H](C)c2ccccc2)nc(C)c1C 7253525 HVKQSASCSNDPDM-CQSZACIVSA-N 315.442 3.371 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccccc1F 15860047 XFSLAYQEUFKOTA-MRXNPFEDSA-N 316.376 3.376 0 40 DGAB COc1ccc(CN2CCO[C@H](c3ccc(C)o3)C2)cc1OC 93864961 CBPOZEDMPBYVAD-SFHVURJKSA-N 317.385 3.179 0 40 DGAB CC(C)OCCC(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 71910579 DYSNKGMJZKUUDX-KRWDZBQOSA-N 304.434 3.231 0 40 DGAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccc(F)cc1 72286778 ZJZFINIMNRXHAW-NRFANRHFSA-N 305.374 3.265 0 40 DGAB COC(=O)c1ccccc1CN(C)C(=O)CCc1cccs1 72288426 UVFGWISCQRLBGO-UHFFFAOYSA-N 317.410 3.126 0 40 DGAB Cc1cnc(CN(CCCO)[C@@H]2CCCc3ccccc32)cn1 84258387 NYLAKSMLXHCUEI-LJQANCHMSA-N 311.429 3.047 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCOc1cccc(C)c1 21785115 SXVQKPADCAHSRI-ZHACJKMWSA-N 311.381 3.212 0 40 DGAB O=C(CSCc1ccn(-c2ccccc2)n1)N1CCCCC1 95351482 YQEFXDKMNJCAQD-UHFFFAOYSA-N 315.442 3.118 0 40 DGAB CC[C@@H](NC(=O)N1CC[C@@H](OCC(C)C)C1)c1nccs1 95413514 LAWDGIDTOVLLDI-CHWSQXEVSA-N 311.451 3.051 0 40 DGAB CN(c1ccccc1)c1ccc(C(=O)NCc2nccs2)cn1 77223502 XAYWVFXWOVSDQS-UHFFFAOYSA-N 324.409 3.236 0 40 DGAB O=S(=O)(Nc1ccncc1F)c1ccc2ccccc2c1 95994054 FACCZWXCLLMLNP-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB CCOC[C@H]1CCCN(c2cc(COC)nc(C(C)(C)C)n2)C1 95973002 JNURXHVPUFCFFJ-AWEZNQCLSA-N 321.465 3.173 0 40 DGAB CC(=O)NCCCS[C@@H](C)C(=O)Nc1c(C)cc(C)cc1C 78555801 CAXNUWAXENAWPZ-AWEZNQCLSA-N 322.474 3.198 0 40 DGAB O=C(COC(=O)c1nccc2ccccc12)Nc1ccc(F)cc1 64875134 IMCZJYIKGDKRIH-UHFFFAOYSA-N 324.311 3.169 0 40 DGAB Cn1nc(C(=O)NCc2ccc(F)c(Cl)c2)c2ccccc21 72331724 FYIIHDSSDVOHPI-UHFFFAOYSA-N 317.751 3.296 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccnc2)cc1 225643758 HUPPHTKNDDBMNW-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB COc1ccc(CNC(=O)c2ccc3oc(Cl)nc3c2)cc1 225976726 PZUWQPOUJWSJBJ-UHFFFAOYSA-N 316.744 3.420 0 40 DGAB COc1cccc(NS(=O)(=O)c2cccc(Cl)c2C)c1 48652242 YTILPOMEHNPZFA-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 572505457 BYASHJVVAQUUKN-QZTJIDSGSA-N 324.355 3.027 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NC(C)(C)C 224086022 YRTJOEFAQWAPCQ-CYBMUJFWSA-N 322.424 3.258 0 40 DGAB CSc1cccc(C)c1NC(=O)NC(C)(C)c1nc(C)no1 225478991 SSUVKBJQHYWKME-UHFFFAOYSA-N 320.418 3.465 0 40 DGAB CO[C@@]1(CNC(=O)c2cc3ccccc3s2)CCSC1 225623510 VFFQJBMXYRBZGY-OAHLLOKOSA-N 307.440 3.153 0 40 DGAB Cc1nc(CC(=O)N2C[C@H](C)CN(C)c3ccccc32)cs1 96425554 IKZQRWKKZJFYOT-GFCCVEGCSA-N 315.442 3.113 0 40 DGAB O=C(C1CC1)N1CCC2(CCCN2Cc2ccc(F)cc2)CC1 96075312 LOCICKIWMOOPHG-UHFFFAOYSA-N 316.420 3.193 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@]3(CCN(Cc4ccoc4)C3)C2)c1 96047581 KSDHVUXZTZPOEB-ZWKOTPCHSA-N 316.376 3.264 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1c(C)noc1-c1ccccc1 97095896 DQFCPJPPWHSIEJ-UHFFFAOYSA-N 311.341 3.436 0 40 DGAB c1cnc(N2CCC[C@]3(CCN(Cc4cccs4)C3)C2)nc1 96047143 GYKZWRDUHCVUNX-QGZVFWFLSA-N 314.458 3.031 0 40 DGAB CCOC(=O)CCc1ccc(NC(=O)/C=C/c2ccncc2)cc1 96417093 FKHXANGWRKEHJJ-WEVVVXLNSA-N 324.380 3.229 0 40 DGAB O=C(Nc1cccc2c(Cl)nccc12)N1CCSCC1 585119876 YHRZVAARQXVYBE-UHFFFAOYSA-N 307.806 3.469 0 40 DGAB CN(Cc1nc(-c2cccc(Br)c2)no1)CC1CC1 52127970 PEWWBXCQMSVHOC-UHFFFAOYSA-N 322.206 3.341 0 40 DGAB O=C(Nc1cccs1)N1CCC(Oc2ccccn2)CC1 85556924 KUMOXAYNMDYMIS-UHFFFAOYSA-N 303.387 3.218 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)c1ccccc12 91691607 YMTSETBJEDMYKO-UHFFFAOYSA-N 303.358 3.083 0 40 DGAB O=C(Cc1ccsc1)NC[C@@H]1CCN(c2ccc(F)cc2)C1 57057513 KHVJOECEERCUNA-AWEZNQCLSA-N 318.417 3.072 0 40 DGAB C[S@@](=O)Cc1cccc(C(=O)Nc2cccc3cccnc23)c1 54225730 CXUBLANWLNPNLW-QHCPKHFHSA-N 324.405 3.366 0 40 DGAB COC(=O)Nc1cc(NC(=O)c2ccccc2F)ccc1F 66489639 PFVKGUKYTBHUJD-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2nc3ccccc3o2)n1 71876059 NDLVNPHIOLAZNE-HNNXBMFYSA-N 310.401 3.306 0 40 DGAB CN(Cc1ccc(F)cc1)[C@H]1CCN(c2ccccc2F)C1=O 78670690 RTZZUHXFMWNYMJ-KRWDZBQOSA-N 316.351 3.202 0 40 DGAB COc1ccnc(COC(=O)c2cnn(C3CCCC3)c2C)c1 97022875 NBEHSZLQCFUFRR-UHFFFAOYSA-N 315.373 3.067 0 40 DGAB COc1ccc(/C=C/c2cccc[n+]2C)cc1CN1CCCC1 5002317 TWSLXAWBXVBDSU-CSKARUKUSA-N 309.433 3.286 0 40 DGAB CN(C)C(=O)C1(Cc2ccccc2-c2ccccc2)CCNCC1 19700704 FGNNSXUHFSTUFO-UHFFFAOYSA-N 322.452 3.354 0 40 DGAB Cc1ccc([C@H](Cn2cncc2-c2cn(C)nc2C)N(C)C)cc1 19719467 YRGZYKIELMYCMO-IBGZPJMESA-N 323.444 3.203 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@@H]1CCCc2ccccc21 12907646 PTXWFKNFADOQRV-URKNILKWSA-N 323.392 3.409 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1Cl 100084173 UAVBADNMGQAKFD-PKJRCAFQSA-N 313.784 3.206 0 40 DGAB CCOc1ccc(-c2ccc3nnc(SCC)n3n2)cc1 5167758 MITHBPPVHJQNEP-UHFFFAOYSA-N 300.387 3.302 0 40 DGAB COc1cccc(CC(=O)N2CCCc3c(F)cc(F)cc32)c1 40090386 ZLKFUGXMWPBQGW-UHFFFAOYSA-N 317.335 3.495 0 40 DGAB O=C(NCc1ccc(F)cc1)N1CCC[C@H](C(F)(F)F)C1 30979988 XSCAIVDLESXGSL-NSHDSACASA-N 304.287 3.310 0 40 DGAB Cc1nn(-c2nc3ccccc3n2C)c2c1C(=O)CC(C)(C)C2 140637 YAZWDURKNKRSAI-UHFFFAOYSA-N 308.385 3.223 0 40 DGAB COc1cccc2cc(-c3ccc(OC(C)=O)cc3)c(=O)oc12 11866507 VKPGRKIIPCQWJR-UHFFFAOYSA-N 310.305 3.394 0 40 DGAB biogenic CNC(=O)c1ccc(CN(c2nc3ccccc3o2)C2CC2)cc1 51796074 FSMPQNHCUKVJEZ-UHFFFAOYSA-N 321.380 3.356 0 40 DGAB CNc1cc(=O)n(C2CCCCC2)c(=O)n1C1CCCCC1 339602 QYOWYODKVOOOJF-UHFFFAOYSA-N 305.422 3.062 0 40 DGAB Cc1cc(C)c2c(NC(=O)c3ccccc3Cl)nn(C)c2n1 4743166 XXQUHYUKHWYADD-UHFFFAOYSA-N 314.776 3.491 0 40 DGAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1 7248952 YFJZNYIOHXZGHG-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB O=C(NCc1ccccn1)c1occc1COc1ccccc1 21325386 ROBQRJYRUCOJPW-UHFFFAOYSA-N 308.337 3.184 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3cnccn3)n2)cc1C 2640489 GEWYTKRHKBVVAJ-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB CC(=O)CSc1nc2ccccc2c(=O)n1-c1cccc(C)c1 2623832 VXKPCMKLTNLXLC-UHFFFAOYSA-N 324.405 3.375 0 40 DGAB CC1(C)CC(=O)c2cnc(NC(=O)/C=C/c3ccccc3)nc2C1 497843 PPQUCWQMEBAIED-CMDGGOBGSA-N 321.380 3.284 0 40 DGAB CC(C)(C)c1nnc(C2CCN(Cc3cccnc3)CC2)o1 32936875 BHRFMYXQXAXNJU-UHFFFAOYSA-N 300.406 3.142 0 40 DGAB COc1cccc([C@H](CNC(=O)C2CCCC2)N2CCCC2)c1 22869495 DCGXGEXPWZQAKQ-SFHVURJKSA-N 316.445 3.139 0 40 DGAB C[C@H](NC(=O)NCC(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104258262 IOXDTILFBOMQKW-LMRQPLJMSA-N 318.392 3.132 0 40 DGAB O=C(Nc1cccc2c1CCCC2)c1cnn(-c2ccccc2)n1 23109795 JKLBGOVUVIMNJM-UHFFFAOYSA-N 318.380 3.398 0 40 DGAB O=C(c1cccc(Cn2ccnc2)c1)N1CCc2sccc2C1 47271283 MRKSRWJLMGDTIV-UHFFFAOYSA-N 323.421 3.191 0 40 DGAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)c1 101275897 MWFKYYSZLJFBMV-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 24027271 PFUWNBZAZOGJFZ-LJQANCHMSA-N 322.408 3.204 0 40 DGAB CN(C(=O)COc1ccc(Br)cc1)C1CCCC1 20451891 MAJOMAYRXURFHZ-UHFFFAOYSA-N 312.207 3.229 0 40 DGAB O=C(O)/C=C\C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 100908420 SICCKMPTWLIUBA-WAYWQWQTSA-N 308.746 3.043 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)c1nc(N2CCCC2)ncc1Cl 47537622 FMBYNQMSFKCBKC-GFCCVEGCSA-N 324.856 3.285 0 40 DGAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccccc2)SC(N)=N1 1410002 GDPCLDXKUXIMCM-CYBMUJFWSA-N 304.415 3.405 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cc(F)cc(F)c1 100189416 SKCCEHZOLXVSJB-RHSMWYFYSA-N 301.340 3.325 0 40 DGAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1cnccn1 12591375 XNJLAGKMSDWVDH-BQYQJAHWSA-N 302.337 3.294 0 40 DGAB Cc1nc(CN(C)CCC(=O)Nc2ccccc2F)cs1 58004478 HTVTXCLCNDYENO-UHFFFAOYSA-N 307.394 3.051 0 40 DGAB CC(C)CN(C)C(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 58431200 CFBGNFISIPTQFW-MRXNPFEDSA-N 324.424 3.307 0 40 DGAB CCc1cccc2c(-c3csc(CC(=O)N(C)C)n3)c[nH]c12 48355371 GPABXCMUMOUQMV-UHFFFAOYSA-N 313.426 3.485 0 40 DGAB Cc1cc(C)c(NC(=O)CN(C)CCOC(C)(C)C)c(C)c1 48367431 WGPHMKCLGZJZCO-UHFFFAOYSA-N 306.450 3.297 0 40 DGAB CCc1nc(CSc2nc3nc(C)c(C)c(C)n3n2)cs1 48367514 CSBQKUKWEHPHPJ-UHFFFAOYSA-N 319.459 3.361 0 40 DGAB COc1ccc(C(C)=O)cc1COc1ccc(NC(C)=O)cc1 3403900 HBUHRVYNIQQGML-UHFFFAOYSA-N 313.353 3.435 0 40 DGAB CCn1nnc2cc(C(=O)Nc3cccc4ncccc34)ccc21 3405299 ZAQBVRCBSMHTPV-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CCCCCNS(=O)(=O)c1cc(Cl)ccc1OCC 408556358 IAWVHAJIIZPXLB-UHFFFAOYSA-N 305.827 3.207 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2occc21)c1ccc2c(c1)CCC2 12972383 NMANMPSBEXNPKF-MRXNPFEDSA-N 317.410 3.124 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@H](c2ccc(F)cc2)C(C)C)c1 39995702 LAQUSLFVEOCPAX-INIZCTEOSA-N 302.349 3.484 0 40 DGAB Cc1cc(C)n(C2CN(c3ccnc(-c4ccccc4)n3)C2)n1 69453961 JFHPAMWEWZHUSI-UHFFFAOYSA-N 305.385 3.018 0 40 DGAB COc1ccc(CN(C)Cc2cccnc2Cl)cc1OC 65541997 VWRHTDUMNBGAOM-UHFFFAOYSA-N 306.793 3.384 0 40 DGAB C[C@H](c1nc(-c2ccccc2)no1)N1CCC[C@@H]1Cn1cccn1 69967046 KQXTZNDADGXIOW-GDBMZVCRSA-N 323.400 3.159 0 40 DGAB CCC[C@@H]1c2ccccc2CCN1C(=O)c1cc(COC)on1 80293495 KVBBLOCMEXOKCG-QGZVFWFLSA-N 314.385 3.361 0 40 DGAB Cc1cnc(C(=O)N[C@@H](c2ccccc2)c2cccs2)cn1 8753618 MWUXGHDHKREHFI-INIZCTEOSA-N 309.394 3.366 0 40 DGAB CN(Cc1ccccc1F)Cc1cc(=O)oc2cc(O)ccc12 7421654 AOLRQIUHQATRPN-UHFFFAOYSA-N 313.328 3.270 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)NCc3ccccc3)n2)cc1 7401870 CQLGDKIBEJIMMF-UHFFFAOYSA-N 321.380 3.294 0 40 DGAB C[C@@H](SCC(=O)Nc1ccncc1)c1nc2ccccc2[nH]1 9156613 LGAUQEKXCLVCPY-LLVKDONJSA-N 312.398 3.391 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)cn1 71796926 HMQOCERZLPLKAS-CQSZACIVSA-N 315.442 3.338 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)CCc1c(C)noc1C 27064931 LPPHYIPELYYBTL-UHFFFAOYSA-N 314.385 3.212 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1cccs1 71820812 WJLICJXJIMABGT-ZDUSSCGKSA-N 315.394 3.383 0 40 DGAB C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1cccnc1Cl 71894176 AHVJXWSBKGXJRF-SWLSCSKDSA-N 316.788 3.337 0 40 DGAB C[C@@H]1C[C@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1 72281408 QPMVWQSKKAKOBT-WBMJQRKESA-N 310.353 3.055 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccncc1 71921037 AIRPCBGRWJMIRK-MRXNPFEDSA-N 324.428 3.210 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72283083 NCNCNIUQZQUPFB-NVXWUHKLSA-N 309.413 3.236 0 40 DGAB Fc1ccccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 72299856 XYDAQHZKTBIMSZ-CQSZACIVSA-N 301.365 3.466 0 40 DGAB C[C@@H](NC1CCOCC1)c1ccc(OCC(F)(F)F)cc1 95420567 GDBMNUAUZMGCPH-LLVKDONJSA-N 303.324 3.457 0 40 DGAB CC[C@@H](NCCCc1cn[nH]c1C)c1ccc2c(c1)OCCO2 95420033 CFDNMZZRROVSCA-MRXNPFEDSA-N 315.417 3.163 0 40 DGAB COc1ccc(C(=O)Oc2ccc3nc(C)c(C)nc3c2)cc1 408976944 TYZUIZDZTDBWNV-UHFFFAOYSA-N 308.337 3.474 0 40 DGAB CC(C)NC(=O)CSCc1csc(Br)c1 95953846 MRWCLANZVWNPRV-UHFFFAOYSA-N 308.266 3.268 0 40 DGAB CC(C)(C(=O)N1CC(C)(C)C1(C)C)c1ccc2c(c1)OCCO2 95963155 NOUBLNOYKRJQGG-UHFFFAOYSA-N 317.429 3.382 0 40 DGAB CCc1ccc(CC)c(NC(=O)N2CC[S@](=O)C(C)(C)C2)c1 89284673 ZRGKGPDCZUAQQM-JOCHJYFZSA-N 322.474 3.186 0 40 DGAB CCOc1ccc(CNC(=O)N(C)Cc2nccs2)cc1C 74879767 JSABHROWTRVMGY-UHFFFAOYSA-N 319.430 3.192 0 40 DGAB Nc1nc(Cl)cc(N[C@H]2CCCC[C@@H]2OC2CCCC2)n1 89646474 QKTCFIWBRAFGFE-RYUDHWBXSA-N 310.829 3.395 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1c[nH]c2ccccc2c1=O 22234094 AFYHJBORHNREOE-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CC(=O)Oc1ccc([C@]2(C)NN=C(c3ccccc3)S2)cc1 409077636 FBPXMFAHBCMBSA-QGZVFWFLSA-N 312.394 3.483 0 40 DGAB Cc1occc1C(=O)N1CCn2c(-c3cccs3)cnc2C1 306136587 PXSIQOMJNSKQRB-UHFFFAOYSA-N 313.382 3.169 0 40 DGAB COc1ccccc1-c1cc(C(=O)Nc2nc(C)cs2)no1 32830328 DYABAJRJLUOMJI-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc(Cn3cccn3)cc2)c1 32611553 XIGRNUOXNSOXHW-UHFFFAOYSA-N 319.364 3.386 0 40 DGAB Cc1cc(-c2cnc(NCc3ccncc3)nc2C2CC2)on1 72340357 IIOAVBWXNWQQPR-UHFFFAOYSA-N 307.357 3.325 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3C)C2=O)cc1 36635337 MLTGJKJYWXJSET-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB C[C@@]1(c2ccc(F)cc2)CCN(C(=O)CCc2cccnc2)C1 564822178 IMAYSNOMQKQWIT-LJQANCHMSA-N 312.388 3.344 0 40 DGAB O=C1C[C@@H](c2cccc(Cl)c2)c2ncn(-c3cccnc3)c2N1 35324426 BOXKERMWGZSJOE-AWEZNQCLSA-N 324.771 3.395 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 33185816 REKWDBYPFQRBTR-WDEREUQCSA-N 316.323 3.331 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NC2CCCC2)cc1OC 30753420 ICRCXMMZJAPVHK-LLVKDONJSA-N 309.431 3.243 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CCC3CCCC3)C2)n1 72369653 XBCCRSMMXLRKBS-MRXNPFEDSA-N 301.434 3.380 0 40 DGAB CCCCc1noc([C@H]2CCCN(C(=O)c3ccoc3C)C2)n1 41122489 CHADTERHMQZWKK-ZDUSSCGKSA-N 317.389 3.333 0 40 DGAB CC(C)OCCCNC(=O)COc1ccccc1C(F)(F)F 40018218 IYYWVOFGNBCLNU-UHFFFAOYSA-N 319.323 3.016 0 40 DGAB O=C(Nc1ccc(CNc2ncccc2F)cc1)c1cccnc1 84485352 JNBFGARPAWZXDM-UHFFFAOYSA-N 322.343 3.480 0 40 DGAB O=C(CCNC(=O)NC1CCCCC1)Nc1cccc(Cl)c1 40040423 NUFKRUTYOSWUMS-UHFFFAOYSA-N 323.824 3.301 0 40 DGAB O=C(c1cccc(Cl)c1)c1ccccc1CN1CCOCC1 43211441 RKSFETSNPGQUNE-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)N[C@@H](C)CC 225584644 PBTXTNJJZLFNLG-DOTOQJQBSA-N 318.461 3.427 0 40 DGAB O=C(O)[C@@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2O1 225331228 ZZOZKNFMERZXLN-HNNXBMFYSA-N 303.745 3.192 0 40 DGAB C[C@H]1CC(C)(C)C[C@@H]1NC1CCN(Cc2ccncc2)CC1 193124972 FAKMXCNHEZWDFT-YJBOKZPZSA-N 301.478 3.460 0 40 DGAB O=C(NCCC1=CCCCC1)c1csc(-c2cnccn2)n1 44123853 LKGNCWNEMZEFQR-UHFFFAOYSA-N 314.414 3.220 0 40 DGAB OC1=Nc2c(ncn2-c2cccnc2)[C@H](c2ccc(O)cc2)C1 40267850 AUNXYJMVCZHPQN-AWEZNQCLSA-N 306.325 3.097 0 40 DGAB Cc1ccc(COc2ccc(Br)cc2C(N)=O)cc1 226319150 PBONZBYUUOBYME-UHFFFAOYSA-N 320.186 3.435 0 40 DGAB O=C(c1ccc(Cl)cc1F)N1CCC[C@@H](c2ccn[nH]2)C1 96402864 HPBAUDKICVNLAY-SNVBAGLBSA-N 307.756 3.222 0 40 DGAB COc1ccccc1C1=NN(C(C)=O)[C@H](c2cccs2)C1 95116083 YDFKHGFRSLMOJV-AWEZNQCLSA-N 300.383 3.454 0 40 DGAB CCc1ccc(CNc2cc(-c3ccoc3C)nn2CCO)o1 96473058 HXUYDUSNSLZYDH-UHFFFAOYSA-N 315.373 3.211 0 40 DGAB C[C@@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 95423909 NRKKRGGMOJABBG-SJKOYZFVSA-N 322.399 3.407 0 40 DGAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)N1CCCC1 253408567 YEQOYRFVJCFSRF-JTQLQIEISA-N 320.776 3.284 0 40 DGAB biogenic,in-vitro O=C(COc1ccccc1)N1CCC[C@@H]1CCc1ccncc1 257297661 RIIRAVBAYXZTBZ-QGZVFWFLSA-N 310.397 3.084 0 40 DGAB Cc1cc(C)cc([C@H]2CCN(C(=O)C[C@H](C)CC(=O)O)C2)c1 577076772 KQEGFNLFKNGSPH-GJZGRUSLSA-N 303.402 3.120 0 40 DGAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2ccsc2)C3)c1 585105473 XGAQHDYDPRTUSL-HNNXBMFYSA-N 318.467 3.282 0 40 DGAB COC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1 43309688 YWMBBTKYGDKRQB-UHFFFAOYSA-N 319.386 3.291 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCC(CCN(C)C)CC2)c1 56540254 FKYORQUQJOSXQR-UHFFFAOYSA-N 317.433 3.085 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NCC1(c2ccc(F)cc2)CC1 69350886 RIYNADBIVJGKMX-LLVKDONJSA-N 316.376 3.382 0 40 DGAB Cc1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)no1 69557714 UPNUSONFHXIHOJ-UHFFFAOYSA-N 312.354 3.177 0 40 DGAB COc1ccc(C(=O)N2CCCc3cc(C(C)C)ccc32)nn1 75142961 GLTKZPUYACFOJU-UHFFFAOYSA-N 311.385 3.202 0 40 DGAB CC(C)Nc1cccc(CNC(=O)N(C)CC2CCOCC2)c1 95982154 TUUJTJLHLQCSJM-UHFFFAOYSA-N 319.449 3.075 0 40 DGAB Cc1cnc(CN2CCc3cc(Br)ccc3C2)o1 192258229 ZQSLZZMBNRGEEX-UHFFFAOYSA-N 307.191 3.304 0 40 DGAB Cc1cnc(N2CC[C@@H]3OCCC[C@@H]3C2)c(Br)c1 194323903 PBPWLPRCTUBDEE-YPMHNXCESA-N 311.223 3.158 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc(Cl)cc1 5570032 TZYPGJJFRHWUOW-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)C(C)(C)C)c1 14404576 MHNDEGDFUMQKNL-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB Cn1ccc(NC(=O)CCc2ccc(-c3ccccc3F)o2)n1 14899652 BWEWENRFYQNXHS-UHFFFAOYSA-N 313.332 3.391 0 40 DGAB COC(=O)CC1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 15423836 NLFLJHSNNYYKPI-UHFFFAOYSA-N 315.335 3.481 0 40 DGAB CCOC(=O)[C@@H](Sc1ncccc1C(=O)O)c1ccccc1 16682207 SUVHDFOLLLBSEP-ZDUSSCGKSA-N 317.366 3.176 0 40 DGAB CCCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1cc(C)no1 19501360 AGWRJFMROWRBRZ-CQSZACIVSA-N 316.405 3.237 0 40 DGAB Cc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1C 6301387 LEBLNBRMIUBOGH-UHFFFAOYSA-N 316.382 3.254 0 40 DGAB COc1cccc(NC(=O)CSCCOc2ccccc2)c1 6843749 QUPXFDLMPPULTG-UHFFFAOYSA-N 317.410 3.446 0 40 DGAB CCN(CC(=O)NCc1cccs1)Cc1cccc(F)c1F 15570689 QYMFWSWDIDECCK-UHFFFAOYSA-N 324.396 3.165 0 40 DGAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c1 32413076 BWHJOYANYZMNAY-HNNXBMFYSA-N 320.389 3.055 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)CCc2ccccc2)o1 4276026 UIHFRCUMOHIZBH-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1ccc(-c2ccc(SCC(=O)N3CCCC3)nn2)cc1 4356042 YOEPWXFIPUUPBI-UHFFFAOYSA-N 313.426 3.167 0 40 DGAB CC(C)c1ccc(NC(=O)N[C@@H](Cn2ccnn2)C(C)C)cc1 575617508 WFLASFKOMWDKMV-INIZCTEOSA-N 315.421 3.248 0 40 DGAB Cc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)cc1C 5154403 OMZNMRLQBUKOPX-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB CCCc1nnc(SCCCOc2ccc(C(=O)O)cc2)o1 15418583 QRTWYFXVYJTGLH-UHFFFAOYSA-N 322.386 3.282 0 40 DGAB O=C(Cc1noc2ccccc12)N1CCC[C@H]1c1cccnc1 71810743 UJXOPDTUWTWTLN-INIZCTEOSA-N 307.353 3.129 0 40 DGAB O=S(=O)(c1ccc2ccccc2c1)n1cnc2ccccc21 178618 XBVZLEZLYUQFDX-UHFFFAOYSA-N 308.362 3.427 0 40 DGAB CC(C)c1noc(CCC(=O)NCc2ccccc2Cl)n1 31548109 LERVWNRDFLTCTJ-UHFFFAOYSA-N 307.781 3.095 0 40 DGAB COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)oc2c1 44193 SNFNEAMPSJJIQE-UHFFFAOYSA-N 306.321 3.355 0 40 DGAB CN(CCC(=O)N(Cc1cccnc1)C1CC1)c1ccccc1 69662680 GPUVZUVNZJHIJU-UHFFFAOYSA-N 309.413 3.099 0 40 DGAB CC(C)=C1[C@H]2C=C[C@@H]1[C@H](C(=O)Nc1cccc(C)c1)[C@H]2C(=O)O 335401 FFQJOTRBYKJZOZ-FSDCSDTHSA-N 311.381 3.403 0 40 DGAB CC1=C(S(=O)(=O)c2ccccc2)[C@H](c2ccccc2)N(C)O1 1612039 SFPHWCKTYRAJRD-INIZCTEOSA-N 315.394 3.310 0 40 DGAB Cc1nnc(SCC(=O)NCc2ccccc2)c2ccccc12 238405 XVCCNTBKOKGXDB-UHFFFAOYSA-N 323.421 3.347 0 40 DGAB O=C1O[C@H]([C@@H]2CCCCC2=O)C(Cl)=C1Oc1ccccc1 3102169 HMKYFALCCRBFSO-BXUZGUMPSA-N 306.745 3.201 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(-c3ncc[nH]3)cc2)s1 101444507 JKMHDTOATCOHEF-UHFFFAOYSA-N 319.411 3.247 0 40 DGAB CCOc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@@]2(C)[C@@H](O)[C@@H](O)C[C@H]12 6657154 ZEQNGLSQEXECAG-JBKQDOAHSA-N 316.441 3.273 0 40 DGAB C[C@H](SCc1ccccc1)C(=O)NCCCN1CCCCC1 10277004 VZEFCKAEZOCDLA-INIZCTEOSA-N 320.502 3.301 0 40 DGAB COc1cc(C(=O)NCc2ccccc2)ccc1OC(F)F 2794667 OCJWLAHFHTYLST-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(F)c1F 89895005 JGENNSBSWOQDGF-XHDPSFHLSA-N 305.324 3.207 0 40 DGAB O=C(c1cccc(N2CCCC2=O)c1)N1CCc2ccccc2C1 21897719 JTRDZOVFRULKMR-UHFFFAOYSA-N 320.392 3.012 0 40 DGAB Cc1ccccc1C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2 33193788 VJYNRZMLRASQLK-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB CN(Cc1ccco1)C(=O)COC(=O)c1cccc2ccccc12 22705162 XXSZKRAOLDYKIX-UHFFFAOYSA-N 323.348 3.248 0 40 DGAB COc1ccc([C@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1F 54044069 UXPOVTJHZDPBLE-QMMMGPOBSA-N 323.755 3.155 0 40 DGAB Cc1ccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)nc1 12527734 MHBZRGPNYHVXHV-UHFFFAOYSA-N 314.433 3.431 0 40 DGAB CCSc1nccc(-c2nn(-c3ccc(C)cc3)ccc2=O)n1 1398855 QCLHNTMULVZWCW-UHFFFAOYSA-N 324.409 3.110 0 40 DGAB Cc1ccc2nc(COc3ccc(Cl)cc3)cc(=O)n2c1 3246548 ZBSDBTTWODCHQQ-UHFFFAOYSA-N 300.745 3.235 0 40 DGAB O=C(CCc1cccs1)Nc1ccc(N2CCCC2)cn1 25662507 AVQFUYQFCQSBKU-UHFFFAOYSA-N 301.415 3.315 0 40 DGAB C[C@@H](CS(=O)(=O)N(C)[C@H](C)c1ccco1)c1ccccc1 107589890 HEINPJFKLRKWRJ-UONOGXRCSA-N 307.415 3.406 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Nc1cc2c(cc1Cl)OCCO2 171539648 IXOURJUVEZULPD-UHFFFAOYSA-N 322.752 3.095 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@@H]1C(=O)O 35571145 RJSXGIUXOYNBAE-ZIAGYGMSSA-N 305.374 3.254 0 40 DGAB O=C(NC[C@H]1CCN(C2CC2)C1)c1occc1-c1ccccc1 58106529 HLRFBKMSNAJGRD-CQSZACIVSA-N 310.397 3.161 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccccn2)cc1F 58342678 LOYBLBOQBQRVAM-QGZVFWFLSA-N 313.376 3.264 0 40 DGAB CC(C)C(=O)Nc1nnc(COc2ccc(Cl)cc2)s1 2380494 YUSLUMVTMULBML-UHFFFAOYSA-N 311.794 3.365 0 40 DGAB O=C(COC(=O)c1cc2c(s1)CCCC2)Nc1ccccc1 3498866 QFQUGSSGAGVMRS-UHFFFAOYSA-N 315.394 3.422 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)c(F)c1 3536936 IQMTXFNUMTVCDS-LLVKDONJSA-N 302.324 3.355 0 40 DGAB COc1ccc(CN[C@@H](c2ccccc2)c2n[nH]c(C)n2)cc1 69169027 JOTHVBSAFBSXCH-KRWDZBQOSA-N 308.385 3.001 0 40 DGAB Cc1ccsc1CN(CC(=O)Nc1nccs1)C(C)C 49001548 NJCGSKITCUHAQU-UHFFFAOYSA-N 309.460 3.362 0 40 DGAB Cc1cc(C(=O)N2CCCC2)c2c(-c3ccccc3)noc2n1 13642263 RVMHVAORTLRJMP-UHFFFAOYSA-N 307.353 3.434 0 40 DGAB Cc1cccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)c1C 69419798 QWUBMGZZCPSSRB-GUYCJALGSA-N 322.408 3.311 0 40 DGAB CCOC(=O)CC(=O)c1cc(Br)ccc1Cl 67799455 DZORJLYCPDFHRP-UHFFFAOYSA-N 305.555 3.238 0 40 DGAB CCC(CC)C(=O)Oc1ccc(NC(=O)c2cnn(C)c2)cc1 65489105 NJLOQIRPNWQWLW-UHFFFAOYSA-N 315.373 3.014 0 40 DGAB CCC[C@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 65590401 HIMQTOAWCBDDOH-AWEZNQCLSA-N 323.458 3.133 0 40 DGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@@H]1c1ccccc1 14101205 PCWJPLJTAHNRBU-MRXNPFEDSA-N 323.364 3.491 0 40 DGAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)c1ccccc1 408528272 FQWQLNHCJHLMCT-UHFFFAOYSA-N 324.384 3.367 0 40 DGAB CC(C)n1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)cn1 66386058 TZYXASOXWYYTGV-KRWDZBQOSA-N 312.417 3.067 0 40 DGAB CNC(=O)c1ccc(CN(C)C(=O)C[C@@H]2CCC[C@H](C)C2)cc1 69983004 BLBMIHQPJITENB-GOEBONIOSA-N 316.445 3.221 0 40 DGAB Fc1ccc([C@@H]2CN(Cc3ccccn3)CCO2)cc1Cl 66844827 AYLRKPOAANPZRF-INIZCTEOSA-N 306.768 3.448 0 40 DGAB Cc1cc([C@@H](C)NC(=O)c2cccc3c2OCCO3)c(C)o1 67077531 NZTIDDIRDWBCRO-LLVKDONJSA-N 301.342 3.159 0 40 DGAB C[C@@H](CCc1ccccc1)NCc1nc(=O)c2sccc2[nH]1 6908462 VHKCVCQVFPRRCK-LBPRGKRZSA-N 313.426 3.096 0 40 DGAB Cc1nnc(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 8728733 QLISVTAKFCPCEI-GFCCVEGCSA-N 323.418 3.098 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 8762487 DGFYSPFQNRFWPU-IINYFYTJSA-N 309.431 3.246 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1 80088176 VMWWKMWAOMKKLH-LRDDRELGSA-N 318.417 3.256 0 40 DGAB C[C@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccsc1 78062853 BPMZIMDJUARDLV-JTQLQIEISA-N 300.383 3.375 0 40 DGAB CC1CCN(c2nc(Nc3ccccc3)c3cnn(C)c3n2)CC1 9212210 IRIYNWXFUVGMTN-UHFFFAOYSA-N 322.416 3.343 0 40 DGAB OC[C@@H]1CCCN(c2ncc(Br)c3ccccc23)C1 78876105 CNIJWTUGTHBKIT-LLVKDONJSA-N 321.218 3.206 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@](=O)Cc1cccc(Cl)c1 71858992 MSUQCIOHXFVHRB-YBTHPKLGSA-N 313.850 3.036 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccncc1F 71921832 NMKQLMXSEKPJJU-GFCCVEGCSA-N 316.332 3.022 0 40 DGAB CC[C@H](C)n1nccc1NC(=O)c1cc(Cl)nc(N(C)C)c1 71903321 VIXIHJPOZPUIHX-JTQLQIEISA-N 321.812 3.221 0 40 DGAB CC[C@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1noc(C)n1 72309276 DYVIUMYBLROWAU-PPGNKHEKSA-N 305.765 3.312 0 40 DGAB O=C(O)Cc1c(-c2ccc(Cl)cc2)c2ccccc2[nH]c1=O 72314390 DYYDJGSHKPZXBH-UHFFFAOYSA-N 313.740 3.476 0 40 DGAB O=C(NCCc1ccc(O)cc1)Nc1cccc2c1OCCC2 84445721 AJVJJDNMTCMMBX-UHFFFAOYSA-N 312.369 3.081 0 40 DGAB CCC(CC)n1ccc(C(=O)Nc2ccc(C(=O)OC)s2)n1 95428521 PHTAGWSOYSJGLF-UHFFFAOYSA-N 321.402 3.345 0 40 DGAB CC[C@@H](NCc1ccnc(OC)c1)c1ccc2c(c1)OCCO2 95420000 LWZJOQAXXWVIQI-OAHLLOKOSA-N 314.385 3.102 0 40 DGAB Cc1noc(-c2cccnc2N2CCC[C@H]2c2ccccn2)n1 95963869 QHVBSLBAPGMQHI-HNNXBMFYSA-N 307.357 3.177 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H]1CCCC[C@H]1Cc1ccco1 95947465 MPLZLAKGFJZNIS-DZGCQCFKSA-N 302.374 3.416 0 40 DGAB Cn1cc(CCc2nc(-c3cccc(C(F)(F)F)c3)no2)cn1 95955918 SNEYYSUVIFREPH-UHFFFAOYSA-N 322.290 3.274 0 40 DGAB CCn1c(C)nnc1COc1ccc(Oc2ccccn2)cc1 95994808 WVSYLAJTFGESHR-UHFFFAOYSA-N 310.357 3.373 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H]2CCc3ccc(F)cc32)C1 95969027 SPAINJOHIWKWDZ-GAPZROTKSA-N 309.450 3.482 0 40 DGAB Cc1ccc(O)c(CNc2cccc(Oc3cnccn3)c2)n1 89626779 KCNYSEKLBRGYJO-UHFFFAOYSA-N 308.341 3.290 0 40 DGAB COc1cccc(OC)c1C(=O)CCCNC(=O)OC(C)(C)C 72221404 JFBOSHQKKNSJAB-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2nnsc2-c2ccccc2)C1 72239976 GRBRKXONVMWLJU-VXGBXAGGSA-N 301.415 3.323 0 40 DGAB CSc1ncc(C(=O)Nc2ccc(Br)cc2)cn1 33665780 ZONXCJBGYPGGIO-UHFFFAOYSA-N 324.203 3.213 0 40 DGAB Cc1ccc(C)c2sc(NCCCN3CCOCC3)nc12 61968155 KISTVMLVVCIZGY-UHFFFAOYSA-N 305.447 3.047 0 40 DGAB Cc1nccn1-c1cccc(C2CCN(C(=O)C3CCC3)CC2)n1 72378945 GFDPDZLBFYVQIK-UHFFFAOYSA-N 324.428 3.082 0 40 DGAB CCc1noc([C@H]2CCCCN2C(=O)c2cc(C)oc2C)n1 46087186 YEGPCTOVKOEJTD-CYBMUJFWSA-N 303.362 3.209 0 40 DGAB COc1ccc(C)cc1C[C@@H](Oc1cccc(C)c1)C(=O)O 225117147 UNGYSEPPGHTDIK-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1cccc(C)c1)C(=O)O 225103771 KOGZYYNTJQKFOV-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 226749224 HPVUHIFQWWVSRG-SJKOYZFVSA-N 304.365 3.110 0 40 DGAB C[C@@]12CCC(=O)C=C1CC[C@H]1[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@H]12 43704739 RZRPTBIGEANTGU-PXHWLCEJSA-N 300.398 3.266 0 40 DGAB CCNC(=O)N[C@H]1CCC[C@@H](OC(=O)Nc2ccc(F)cc2)C1 75165987 YYLZYEACJIUHRO-UONOGXRCSA-N 323.368 3.005 0 40 DGAB O=C(C[C@H]1CCCNCC1)N1CCC(c2ccccc2F)CC1 574917389 WJKCCYPLWABZCE-HNNXBMFYSA-N 318.436 3.312 0 40 DGAB Cc1csc(NC(=O)N2CCC(F)(c3ccccn3)CC2)n1 577616231 NNAWSKGWRYQDFM-UHFFFAOYSA-N 320.393 3.339 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)NCc2ccc(Cl)nc2)C1 96439131 YPKMUVKSYXJIGT-RYUDHWBXSA-N 313.854 3.208 0 40 DGAB Cc1cc(C)c(-c2csc3nc(CCC(=O)O)nn23)cc1C 95095793 PKOIROGTMWNQOX-UHFFFAOYSA-N 315.398 3.400 0 40 DGAB O=C(c1cccs1)N1CCC2(CCN(CC3CC3)CC2)CC1 96047304 BILIBUDYJJDSGP-UHFFFAOYSA-N 318.486 3.476 0 40 DGAB CNc1cnc(C[C@H]2CCCN(C(=O)c3ccccc3)CC2)cn1 257324767 WQBOCGJJIVNVSW-HNNXBMFYSA-N 324.428 3.003 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257247617 IZTTULAWRWMTEV-CQSZACIVSA-N 320.396 3.053 0 40 DGAB CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257307954 TUWFRKSYMJTDFC-YHDCXSKOSA-N 312.457 3.139 0 40 DGAB C[C@H]1c2c(F)cccc2CCN1C(=O)c1occ2c1CCOC2 585081786 BAOZRNWQAQIHEH-NSHDSACASA-N 315.344 3.251 0 40 DGAB Cc1ncsc1-c1ccc(C(=O)NCCc2ccccc2)cn1 257285624 PIAGFSCEELWBDR-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB Cn1cc(CN2CCC[C@@H](c3cnccn3)C2)c2ccccc21 257322233 WFCVVTNJFSGPKA-OAHLLOKOSA-N 306.413 3.348 0 40 DGAB CCCc1cc(C(=O)N2CCC(C)(c3nccs3)CC2)no1 257252954 JWWXCAKQKRLFLN-UHFFFAOYSA-N 319.430 3.278 0 40 DGAB Cc1c[nH]c([C@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 257268303 MLBGQCPNPWDLFH-LBPRGKRZSA-N 313.430 3.159 0 40 DGAB Cc1ccc(CN(CC(=O)Nc2nccs2)C(C)C)s1 49001665 CEMVKVBWJAXRHY-UHFFFAOYSA-N 309.460 3.362 0 40 DGAB O=C(O)CC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 95389914 BBHYVRCWAWNIHS-UHFFFAOYSA-N 316.184 3.320 0 40 DGAB C[C@@H]1Cc2cc(CN(C)Cc3n[nH]c4c3CCCC4)ccc2O1 12147161 KBBWVRMCEDHYCT-CYBMUJFWSA-N 311.429 3.244 0 40 DGAB Cc1cc(OC(=O)c2cccs2)n(-c2nc3ccccc3[nH]2)n1 13639558 GSHRMRGRFSCBPM-UHFFFAOYSA-N 324.365 3.338 0 40 DGAB OC1CCN(Cc2c(-c3cccs3)[nH]c3ncccc23)CC1 19345223 YIARTMFFTQBJTM-UHFFFAOYSA-N 313.426 3.248 0 40 DGAB O=C(C1CC1)N1CCN(c2nc3c(Cl)cccc3s2)CC1 5181929 ONOSBXSYDOFDAS-UHFFFAOYSA-N 321.833 3.008 0 40 DGAB O=C(Nc1ccc(Br)cc1)c1cc(C2CC2)ncn1 1888863861 NCMXCZPXYBSWOP-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCO[C@H](C)C2)cc1 37191868 MXAWRYWCLSYROU-APWZRJJASA-N 324.424 3.396 0 40 DGAB O=C(NCc1ccnc(-c2cccnc2)c1)NC1CCCCC1 225641025 BGJMVSONECCHGJ-UHFFFAOYSA-N 310.401 3.276 0 40 DGAB O=C(/C=C/c1cccs1)NCCn1cc(-c2ccoc2)cn1 575615111 MJVKSMBYRZVPTM-ONEGZZNKSA-N 313.382 3.034 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@H](n2cnc3ccccc32)C1 575618978 YKMHSARVUXTXMA-NPQIQWPPSA-N 307.353 3.116 0 40 DGAB C=CC(=O)N1CCC[C@@H]1c1cc(Nc2ncccc2C)nc(C)n1 585292664 QCEMFMCANVTCCK-OAHLLOKOSA-N 323.400 3.082 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc21)c1c(F)cccc1Cl 75155665 FMMJYTLXTKXRKW-KRWDZBQOSA-N 319.763 3.043 0 40 DGAB O=C(NCCc1cccs1)[C@H]1CCCN1Cc1ccccc1 50024531 NTRSGEVYEDXHEJ-QGZVFWFLSA-N 314.454 3.071 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)NCCC1=CCCCC1 20447659 SVGYKHFSXOWQRP-UHFFFAOYSA-N 301.386 3.007 0 40 DGAB O=c1cc(CN2CCC(c3ccccc3)CC2)nc(C2CC2)[nH]1 20445032 PDRIUAAFCAEXLS-UHFFFAOYSA-N 309.413 3.027 0 40 DGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)[C@@H]1CC=CCC1 40509945 PFAXEBMSNCDBTP-MRXNPFEDSA-N 312.413 3.146 0 40 DGAB CS[C@H](C)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 40523595 YERCMBCOQAWTNE-LLVKDONJSA-N 301.415 3.051 0 40 DGAB CCOC(=O)c1cc(-c2ccc(OCC)cc2OCC)on1 1857794031 YBGXHMNTBAGHNY-UHFFFAOYSA-N 305.330 3.316 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccncc2)c1 15827452 UMXTYWZQBCWDGR-INIZCTEOSA-N 312.369 3.076 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)Cc1ccccc1Cl 7535561 GTAFLVRYZBZLMZ-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CCc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 3127135 QYQBRKRPKMGCLL-UHFFFAOYSA-N 324.424 3.327 0 40 DGAB Cc1nc(SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)nc(C)c1C 2622783 AUKAPCXEYQQCON-ZIBATOQPSA-N 321.490 3.435 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccc(F)cc1F)S[C@@H](C)C(=O)N2 6678413 PWYYIEDTIDDNJU-JVXZTZIISA-N 309.341 3.160 0 40 DGAB CNc1c(NC(=O)c2cccc(F)c2)c(=O)oc2ccccc12 6823178 CJCFSXBGTZJWKJ-UHFFFAOYSA-N 312.300 3.226 0 40 DGAB CCCCn1nnnc1NCc1ccc(Cl)c(Cl)c1 7262140 HJUQDGIKTFXLNU-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB CC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccc(F)cc3)nn21 101892621 RZFLHHCFDYITJW-UHFFFAOYSA-N 322.343 3.230 0 40 DGAB C[C@H]1CCc2sc(C(=O)NCCc3ccccn3)cc2C1 21183597 ADOJHGRKSRDBEQ-LBPRGKRZSA-N 300.427 3.240 0 40 DGAB CCOc1ccccc1CNS(=O)(=O)c1ccc(F)cc1C 53670833 VIRSSBUVDWQAME-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1F 32754421 MLTCOUUAAKHTMO-CYBMUJFWSA-N 321.417 3.422 0 40 DGAB O=[S@@](Cc1nc(-c2ccsc2)no1)Cc1ccccc1F 32801252 UQVHDJFXEKDDCG-NRFANRHFSA-N 322.386 3.386 0 40 DGAB Cc1nc(SCC(=O)N[C@@H](C)c2ccco2)n(C2CC2)c1C 32894159 VXBZNBLONIYQRO-NSHDSACASA-N 319.430 3.397 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C)C(=O)NCC2CCCCC2)n1 21691863 LTUOGYUPWQKUNV-LLVKDONJSA-N 310.467 3.105 0 40 DGAB Cc1cc2nc(Oc3cccc(C(N)=O)c3)c3ccccc3n2n1 32923485 SQVOPOVPEJYRDY-UHFFFAOYSA-N 318.336 3.082 0 40 DGAB CCCCCNC(=O)N(C)Cc1cnn(-c2ccccc2)c1 32909419 XBHJQIUPGMNNEP-UHFFFAOYSA-N 300.406 3.204 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc2c(c1)CCCC2 28247943 GWWPLYVSIPYDDG-UHFFFAOYSA-N 322.817 3.415 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1 23055027 MRHKCWBZTXFEBH-HNNXBMFYSA-N 321.380 3.337 0 40 DGAB Cc1occc1C(=O)NCc1ccc(CN(C)C(C)C)cc1 54703270 NPPSAGQNYWQHAZ-UHFFFAOYSA-N 300.402 3.358 0 40 DGAB Cc1cc(CNC(=O)CN(C)[C@@H](C)c2ccccc2)ccc1F 24687044 YKAUIENNJFNPGH-HNNXBMFYSA-N 314.404 3.443 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102194351 ZMJGCXJSQJOYOS-SJXGUFTOSA-N 317.429 3.187 0 40 DGAB Nc1nc(Cl)cc(NCCOc2ccc3ccccc3c2)n1 26708454 PIEZANFBWLTFOD-UHFFFAOYSA-N 314.776 3.356 0 40 DGAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)[C@H]1CCCO1 27923266 WSKRPBBIBKPUPC-QGZVFWFLSA-N 321.380 3.202 0 40 DGAB CC1CCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)CC1 10028966 SRFDDRODQSGWDF-UHFFFAOYSA-N 322.836 3.109 0 40 DGAB COc1ccc(N(C(=O)c2cnc(C)cn2)[C@H](C)C2CC2)cc1 58180600 WAQPQOXMRJSZAK-CYBMUJFWSA-N 311.385 3.239 0 40 DGAB Cc1cc2occ(CC(=O)N3CCOCC3)c2cc1C(C)C 36047929 JCAYIYMFANWBOT-UHFFFAOYSA-N 301.386 3.266 0 40 DGAB Cc1nonc1NC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 27664718 ZWZWLWJYFWBLBC-LLVKDONJSA-N 303.362 3.082 0 40 DGAB O=C1N/C(=C/c2ccc(Cl)s2)C(=O)N1Cc1ccccc1 2123761 JBLAMFVZBWSIPQ-XYOKQWHBSA-N 318.785 3.494 0 40 DGAB O=C(COC(=O)c1ccc2c3c(cccc13)CC2)c1ccc[nH]1 12697010 UHFADCWERKRXGI-UHFFFAOYSA-N 305.333 3.306 0 40 DGAB O=C(COC(=O)c1cccnc1Cl)c1ccc(Cl)s1 3327757 UCTPEUVERKLRHL-UHFFFAOYSA-N 316.165 3.490 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccccc1F 3384124 LBIMQRPPIOAEKJ-SNVBAGLBSA-N 307.346 3.380 0 40 DGAB O=C(CCc1nc2ccccc2s1)O[C@@H]1CCCCC1=O 3302485 BYRUBZYDULHAGY-CYBMUJFWSA-N 303.383 3.284 0 40 DGAB COc1ccc(CN(CC(=O)Nc2ccccc2)C2CC2)cc1 7661747 FGFDYIOPQAGGEL-UHFFFAOYSA-N 310.397 3.298 0 40 DGAB CCCCS[C@H](C)C(=O)NCc1ccc(-n2cccn2)cc1 48367293 FRDJQOKLDIHTOQ-CQSZACIVSA-N 317.458 3.410 0 40 DGAB CC(C)CCNC(=O)CSc1nc2ccc(Cl)cc2[nH]1 3501069 KSLRBVDOKIFQPO-UHFFFAOYSA-N 311.838 3.471 0 40 DGAB COc1ccc(NC(=O)c2cc(Cl)c(OC)c(OC)c2)cn1 8017279 SCYLCZKCMPUVER-UHFFFAOYSA-N 322.748 3.013 0 40 DGAB O=C1c2ccccc2C(=O)N1CCCOc1ccc(Cl)cc1 4324305 MIDXCLCTKYCENK-UHFFFAOYSA-N 315.756 3.405 0 40 DGAB O=C1OCC[C@@H]1Sc1nc(-c2ccco2)nc2ccccc12 14093897 AFCFOKHQDUAIST-ZDUSSCGKSA-N 312.350 3.297 0 40 DGAB O=C(C1CCC1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 65621960 SZCARAWXDWVJCR-OALUTQOASA-N 312.457 3.442 0 40 DGAB Cc1nc(SCC(=O)NCC(C)C)c2c(C)c(C)sc2n1 5428877 RVMDZMYPQCCNMA-UHFFFAOYSA-N 323.487 3.481 0 40 DGAB Cc1ccc([C@@]2(O)CN3C=CC=CC3=[N+]2C2CCCCC2)cc1 14356929 BRKSOJZUXBRWCT-FQEVSTJZSA-N 309.433 3.283 0 40 DGAB COc1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1N 21519845 MELMMDBNDDDPPQ-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cc1cccc(OC[C@H](O)CNC23CC4CC(CC(C4)C2)C3)c1 7015485 UXRVMLGSHSRAGA-ZCYBBYNQSA-N 315.457 3.293 0 40 DGAB C[C@H](OC(=O)c1cc2sc3ccccc3c2s1)C(N)=O 7144184 LFIUDLCEIWVJDN-ZETCQYMHSA-N 305.380 3.147 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)nc1 69538190 UMXKWNPSUHFRTR-INIZCTEOSA-N 323.396 3.023 0 40 DGAB O=C(Nc1ccc(-n2cnnn2)cc1)c1cccc2ccccc12 15646399 HMLMSZXWSZZMHO-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@@](O)(CC(=O)NCc1ccnc2ccccc12)c1ccccc1 97059659 OJIYMUVQIBOVMF-HXUWFJFHSA-N 320.392 3.149 0 40 DGAB Cc1ccc(O)c(CNc2cccc(Oc3ncccn3)c2)n1 97020064 RJMXEXLAVCCUNA-UHFFFAOYSA-N 308.341 3.290 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1ccccc1F 71858968 RFWVBCVHLGPJJA-XMHCIUCPSA-N 319.401 3.126 0 40 DGAB CC(C)(C)c1ccc(NC(=O)NCCC[C@@H]2CCCCO2)nn1 97138312 CLQZLCYBGVASMS-ZDUSSCGKSA-N 320.437 3.245 0 40 DGAB Fc1cc(Cl)cnc1N[C@@H]1CCO[C@@]2(CCSC2)C1 95426383 IHXAZRZIDABUGC-MFKMUULPSA-N 302.802 3.341 0 40 DGAB CC1CCN(CC(=O)N[C@H](c2ccccc2)c2ccco2)CC1 98081183 BFDMKWGYQBDZDQ-LJQANCHMSA-N 312.413 3.217 0 40 DGAB CCCOc1ccc(CNc2cc(C(=O)N(C)C)ccn2)cc1 95958771 BLMPDZJBEJIPKI-UHFFFAOYSA-N 313.401 3.184 0 40 DGAB CCc1nc(C(=O)N2CCn3cccc3[C@@H]2c2ccccc2)c[nH]1 89279875 QDQBLDPEILSODP-SFHVURJKSA-N 320.396 3.019 0 40 DGAB COC(=O)Nc1cccc(OCC(=O)Nc2ccc(C)cc2)c1 75117403 DBUBHFQENSMPLZ-UHFFFAOYSA-N 314.341 3.191 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCCN2CCCC[C@H]12 504400706 GZRWUMIGVOLZJV-NVXWUHKLSA-N 320.864 3.263 0 40 DGAB biogenic C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cnn(C)c1 189494007 KJLJSOQFCYPYCZ-MLGOLLRUSA-N 305.809 3.036 0 40 DGAB CC(C)c1nnc(CN2C[C@H](n3cccn3)Cc3ccccc32)o1 75929831 AQINVFZXLGYUSY-OAHLLOKOSA-N 323.400 3.194 0 40 DGAB CCN1CCO[C@](O)(c2cc(Cl)cc(Cl)c2Cl)C1 31924530 BWWONPXPSMTYEI-LBPRGKRZSA-N 310.608 3.144 0 40 DGAB C[C@H]1CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C[C@@H](C)O1 72393706 DAFJWPXEWQBGKD-AOOOYVTPSA-N 313.323 3.191 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)c(C)c1 31780080 RCNBWTCKNBDCTR-UHFFFAOYSA-N 322.408 3.360 0 40 DGAB c1ccc(-c2cc(CNC3CCCCC3)c3nnnn3c2)cc1 72392288 SVZFRGCLUBHMRZ-UHFFFAOYSA-N 307.401 3.214 0 40 DGAB CC(=O)Nc1cnc(C)n1-c1nc(-c2ccc(F)cc2)cs1 41124301 FDVLGMFJNKNUFE-UHFFFAOYSA-N 316.361 3.402 0 40 DGAB CCOc1cc(-c2nc(-c3ccc(O)cc3)n[nH]2)ccc1OC 85385050 IWMIPHOHHOFLBQ-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB O=C(C[C@H]1CCCN1C(=O)c1cscn1)c1ccccc1 85482671 ZEGPGBYGQGNVBA-CYBMUJFWSA-N 300.383 3.021 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(N2CCCC2)c(N)c1 226267946 QIQMEXKRLLRKKB-UHFFFAOYSA-N 311.385 3.130 0 40 DGAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCC[C@@H]1C 226852894 VBJBCAKYLQHYEK-GJZGRUSLSA-N 313.401 3.041 0 40 DGAB O=C(c1ccoc1)N1CC[C@@H](Oc2cccc3cccnc23)C1 225704977 VHEZGJYAPLCZQB-OAHLLOKOSA-N 308.337 3.121 0 40 DGAB C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CSCc1ccncc1 96411689 IIEOBFKLIPMLLK-KBMXLJTQSA-N 304.459 3.494 0 40 DGAB Cc1cc(C)c(-c2nc(N(C)C)sc2CC(=O)O)cc1C 95097118 DLRKMMAHIWICSC-UHFFFAOYSA-N 304.415 3.428 0 40 DGAB COC(=O)c1ccc(NC(=O)NCCC(F)(F)F)cc1Cl 96435001 XJOKNXAYLWPATN-UHFFFAOYSA-N 324.686 3.201 0 40 DGAB CCN(CC)CCNC(=O)c1ccc(Oc2cccc(F)c2)o1 96183954 GONOPEJQVVAALN-UHFFFAOYSA-N 320.364 3.283 0 40 DGAB Cn1nc(CNC(=O)CCSc2ccccc2)cc1C1CC1 96099319 HSJOSUICRLHRGJ-UHFFFAOYSA-N 315.442 3.096 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)Cc3ccccc3C)C2)n1 257231312 GGDHGBVWKFPPRF-KRWDZBQOSA-N 309.413 3.042 0 40 DGAB C[C@@H](NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCCO1 585123281 VLVBGPLADPKEBP-YPMHNXCESA-N 318.339 3.070 0 40 DGAB COc1cc(Br)c([C@H](O)C(F)(F)F)cc1OC 42268431 NWFAVNWQIGDZSJ-VIFPVBQESA-N 315.085 3.062 0 40 DGAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CCC[C@@H]1c1cccs1 47106100 WHHMVBNUQMTYDQ-RBSFLKMASA-N 319.474 3.221 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccc(F)cc3)c2N)c1 11692196 FECSKHJFNGUZJD-UHFFFAOYSA-N 324.359 3.463 0 40 DGAB Cc1cc(C)n(CCCC(=O)Nc2cccc3nc(C)[nH]c23)n1 12143804 NAPSBRDDFNHADL-UHFFFAOYSA-N 311.389 3.104 0 40 DGAB O=C(c1cccnc1)C1CCN(C(=O)C2CCCCC2)CC1 12157018 BDPIFOXEAURKPK-UHFFFAOYSA-N 300.402 3.083 0 40 DGAB CCCCCCNC(=S)Nc1ccc(C2=NCCO2)cc1 16638113 JROWYLNEDKAYBP-UHFFFAOYSA-N 305.447 3.330 0 40 DGAB CCCn1c(CN2C[C@H]3CCCN3C[C@@H]2C)nc2ccccc21 19526007 XIXUFCARCVYXMU-JKSUJKDBSA-N 312.461 3.115 0 40 DGAB C[S@@](=O)(=NC(=O)Nc1cccnc1Cl)c1ccccc1 161060 ODCUKAOYNQRNLD-FQEVSTJZSA-N 309.778 3.424 0 40 DGAB CC1(C)COc2ccc(NC(=O)C3CCCC3)cc2NC1=O 8959856 ZORGTRYRKMADSF-UHFFFAOYSA-N 302.374 3.172 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)N1C[C@@H](C)O[C@H](C)C1 23654382 HVMPCHPGVAIXKO-BZPMIXESSA-N 300.402 3.157 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2cc(Br)ccc2N)C1 24978058 IUPOWBZLJSPZFT-AOOOYVTPSA-N 311.223 3.149 0 40 DGAB in-vivo COc1ccc(-c2cc(=O)c3cccc(CC(=O)O)c3o2)cc1 1582679 BSMWETPLQKJEMF-UHFFFAOYSA-N 310.305 3.096 0 40 DGAB COc1ccc(SCC(=O)Nc2cccc(OC)c2)cc1 7789977 FYJMEWUQCOQYMX-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)OCc3ccccc3)ccc21 16916579 LCEOACOOUZVBPL-UHFFFAOYSA-N 310.353 3.344 0 40 DGAB COc1cccc(CN(C)CCOc2ccccc2)c1OC 40161697 ZXOXPUWTVWBUFX-UHFFFAOYSA-N 301.386 3.215 0 40 DGAB CC(C)CN1CCC(C(=O)N[C@H](C)CCc2ccccc2)CC1 40150753 CKKKOVPEMHPEMR-QGZVFWFLSA-N 316.489 3.492 0 40 DGAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccoc1 40108491 VILUEUOIZNXHNL-SNVBAGLBSA-N 308.175 3.403 0 40 DGAB CCOC(=O)c1c(NC(=O)N2CCCC2)sc2c1CCCC2 20100247 BHNAPCNKHCAWPS-UHFFFAOYSA-N 322.430 3.431 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 40457463 CJGZCAHPPTVSGV-RHSMWYFYSA-N 303.402 3.259 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 44326 XZMWHRISPDRURG-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB COc1ccc2c(c1)C(=O)C[C@@H](c1cccc(OC)c1OC)O2 57764 VCOXKEDHNTZBAP-KRWDZBQOSA-N 314.337 3.419 0 40 DGAB biogenic COc1ccc(C2=N/C(=C/c3cccc(OC)c3)C(=O)O2)cc1 430728 WLJPBHDQNZJMCL-LFIBNONCSA-N 309.321 3.048 0 40 DGAB C[C@@H]1CCCC(C)(C)[C@@H]1NCCOC(=O)c1ccc(N)cc1 1711729 RQBCMASLXMHIPZ-CZUORRHYSA-N 304.434 3.230 0 40 DGAB CC(C)(C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 2620320 YJIDYDBHDSEDOF-UHFFFAOYSA-N 320.396 3.463 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)C(C)(C)C 3548527 QVCFOMOSONXRRY-UHFFFAOYSA-N 301.342 3.422 0 40 DGAB CC(C)[C@H](C)NC(=O)COC(=O)c1cc2c(s1)CCCCC2 3552970 MMEMUNUPANBGJI-LBPRGKRZSA-N 323.458 3.335 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 3627767 LVMYBRQNWAMAOA-AWEZNQCLSA-N 321.735 3.425 0 40 DGAB Nc1nccc(/C=C/c2ncc(C(F)(F)F)cc2Cl)n1 4051668 OTAPCPYCAYGAFW-OWOJBTEDSA-N 300.671 3.296 0 40 DGAB CC(C)CC(=O)Nc1nnc(COc2ccccc2F)s1 4714933 JLPLKHZUCXBIDR-UHFFFAOYSA-N 309.366 3.241 0 40 DGAB Cc1cccc(C(=O)O)c1C[C@H]1NCC[C@H]2c3ccccc3N[C@@H]21 4830730 JZMNBICLWOBJHN-KYNGSXCRSA-N 322.408 3.176 0 40 DGAB in-vitro Cc1sc2nnn(Cc3cccc(Cl)c3)c(=O)c2c1C 5009905 RIKCUIWTVLAVJK-UHFFFAOYSA-N 305.790 3.172 0 40 DGAB Cc1ccc(C)c(-n2ncc3c2ncn2c(C(C)(C)C)nnc32)c1 5303289 MMIVGKVEONCBSI-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB CNC(=O)c1c2c(nc3ccc(Br)cc13)CCCC2 5447482 UPCHRJACJGZIOU-UHFFFAOYSA-N 319.202 3.236 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)N=c1[nH]c2ccccc2[nH]1 5998971 DHOFXKDQSOOIHQ-SNVBAGLBSA-N 315.760 3.044 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1 6033583 LGPUFMUNOIMBHS-USXQRBQRSA-N 315.413 3.326 0 40 DGAB c1ccc2oc(C3=NN=C(NC[C@@H]4CCCO4)SC3)cc2c1 6237843 COUGSEDZVJNIJO-LBPRGKRZSA-N 315.398 3.008 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(C)s2)c1C 7387349 VYRUSGJPRUTQPT-UHFFFAOYSA-N 319.382 3.244 0 40 DGAB COC(=O)c1ccc(Cn2c(-c3nnco3)cc3ccccc32)o1 7453793 NPZYZZKTRNNZKW-UHFFFAOYSA-N 323.308 3.119 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)NCc1ccccc1 8007389 UDSAASPJFCZBON-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CCOC(=O)c1sc2[nH]c(-c3cccnc3)cc(=O)c2c1C 8424603 MBBUNGGVOBZGOL-UHFFFAOYSA-N 314.366 3.137 0 40 DGAB O=C(NC(=S)NNc1ccccc1)c1cccc2ccccc12 9140673 YBFJMDGHGBEFDG-UHFFFAOYSA-N 321.405 3.471 0 40 DGAB Cn1c([C@@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 9184797 JGVQOMMQZLMSOF-GFCCVEGCSA-N 311.410 3.151 0 40 DGAB C[C@@H]1CCCN(CC(=O)NCc2ccc(Cl)cc2Cl)C1 9996416 MFSYPIBOWOIOLN-LLVKDONJSA-N 315.244 3.342 0 40 DGAB COc1ccc(OCCNC(=O)c2ccccc2SC)cc1 10291147 QPODNUYWWLIRPE-UHFFFAOYSA-N 317.410 3.226 0 40 DGAB Sc1nnc([C@H]2COc3ccccc3O2)n1C1CCCC1 11692628 YDZVMAGABFVQFM-CYBMUJFWSA-N 303.387 3.194 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(F)cc(F)c1 11724162 NULZYYKLWOCXAR-UHFFFAOYSA-N 305.280 3.378 0 40 DGAB Cc1nn(C)cc1CN(C)C(=O)c1cc(Cl)ccc1Cl 12065024 GLPWFQDHUWVKNW-UHFFFAOYSA-N 312.200 3.308 0 40 DGAB Cc1cc(C)c(NC(=O)CCNC(=O)Cc2ccccc2)c(C)c1 12768104 WYBCNJRKSJGUMR-UHFFFAOYSA-N 324.424 3.299 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2)c1 12817651 WKBTWVVBKCJTIO-CQSZACIVSA-N 303.365 3.464 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 13029331 DHPPJUPFJVDSRX-IYBDPMFKSA-N 324.424 3.401 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc(Cl)s1)c1cccs1 13388972 UKKXXRKPFUGJEJ-SSDOTTSWSA-N 315.803 3.409 0 40 DGAB O=c1c2ccccc2cnn1CN(Cc1ccccc1F)C1CC1 14304481 OLAJJDRZIBMTOX-UHFFFAOYSA-N 323.371 3.158 0 40 DGAB O=C(COCc1nc2ccccc2s1)Nc1ccccc1O 16483082 QYLUXPFWHGQGEC-UHFFFAOYSA-N 314.366 3.157 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccccc1 19130492 KRSJVMFDNYHXNB-WBVHZDCISA-N 304.397 3.300 0 40 DGAB CC(C)[C@H](CCNCCN1CCOCC1)c1ccc(Cl)cc1 20590735 MDTPLFLJCZRVKH-SFHVURJKSA-N 324.896 3.392 0 40 DGAB CCOc1cc2c(cc1CNC(=O)c1ccoc1C)O[C@@H](C)C2 21557609 LAGWOBMAXROSPO-NSHDSACASA-N 315.369 3.240 0 40 DGAB CN(CCN1CCCCC1)Cc1cnn(C2CCCCC2)c1 22916154 UXGNIRJIJDSCKS-UHFFFAOYSA-N 304.482 3.306 0 40 DGAB CN(C)C1(CNC(=O)CCc2cccs2)CCCCCC1 25443512 LYSBKROKYRBUQC-UHFFFAOYSA-N 308.491 3.452 0 40 DGAB CN(CCNC(=O)CCc1ccc(F)cc1)c1ccccc1 25467342 HJYBGJZACDMZMB-UHFFFAOYSA-N 300.377 3.011 0 40 DGAB OCc1nc2ccccc2n1CN1CC=C(c2ccccc2)CC1 25763920 ZMOFNRIVAAJZFR-UHFFFAOYSA-N 319.408 3.275 0 40 DGAB CCOc1ccc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)on2)cc1 25900418 XVORWAXCJWZPKL-QWHCGFSZSA-N 317.389 3.060 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)/N=c1/sccn1C 26367264 KODKKXOYYRHCIX-BMRADRMJSA-N 315.423 3.260 0 40 DGAB Cc1ccccc1Cn1cc(NC(=O)Cc2ccccc2)cn1 27920263 AUJYCHTWSWYOOZ-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB CCCn1ccc(C(=O)Nc2nc3ccc(OC)cc3s2)n1 27971617 BFAHXPWMRRRWPW-UHFFFAOYSA-N 316.386 3.164 0 40 DGAB CC(C)(C)c1nc(CSc2nncn2-c2ccccc2)no1 28008713 UVJIQMBJQBKBBV-UHFFFAOYSA-N 315.402 3.240 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@@H]2CCCCNC2=O)c1 28943558 GMAUYYGHKJEHJL-OAHLLOKOSA-N 315.442 3.250 0 40 DGAB O=C(Nc1ccc(F)cc1F)N1CCN=C1Cc1ccccc1 32610666 KBSBDUAPRJKTMG-UHFFFAOYSA-N 315.323 3.454 0 40 DGAB Nc1nc(SC[C@H](O)c2ccccc2)nc2sccc12 32854204 IKPPVHVKDQVAJX-NSHDSACASA-N 303.412 3.099 0 40 DGAB Nc1snc2cc(Br)cc(Br)c12 34929214 VDEIJZJQYHDIFE-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cn2C)[C@@H]1C 35180400 BMANYVHZBIPTKF-CKYFFXLPSA-N 313.239 3.342 0 40 DGAB O=C(O)[C@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1 35296855 CCHFPKAFXPRSHG-JTQLQIEISA-N 318.200 3.169 0 40 DGAB Cn1cccc1[C@H]1CCCN1Cc1nc(O)c2sccc2n1 35399824 QDXJQUVDHYDFEZ-CYBMUJFWSA-N 314.414 3.073 0 40 DGAB Cc1nc2ccc(C(=O)N3CCc4ccccc4C3)cc2nc1C 36139329 YQVAQJOARPXHNP-UHFFFAOYSA-N 317.392 3.445 0 40 DGAB CCN(CC)c1nc(-c2cnn(CC)c2C)cc(C(F)F)n1 36618618 HCRGXKUSDADAAN-UHFFFAOYSA-N 309.364 3.452 0 40 DGAB C[C@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)N(C)c1ccccc1 40107990 BDACQVFNEMDZOY-RISCZKNCSA-N 315.244 3.211 0 40 DGAB CC(C)(CNC(=O)c1cc2ccccc2o1)N1CCCCC1 41297997 BHXDQDUPRNPTTP-UHFFFAOYSA-N 300.402 3.427 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 42652976 XGFQMDJYJHPWLB-ZHACJKMWSA-N 317.366 3.106 0 40 DGAB COc1cccc(OCC(=O)Nc2cccc(SC)c2)c1 44508981 WSSRWNZGAZIJER-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB Cc1cc(CNC(=O)C[C@H]2OC(=O)c3ccccc32)ccc1F 44893086 FNYLGOPYRBZIHW-MRXNPFEDSA-N 313.328 3.052 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)Nc2cccnc2N2CCCC2)o1 48171991 HYSSRTAKZSUBEM-CYBMUJFWSA-N 314.389 3.466 0 40 DGAB CC(C)(C)C[C@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 48340849 HDHYXAKTHCNGST-HNNXBMFYSA-N 318.396 3.101 0 40 DGAB CC(=O)N[C@H](CC(=O)N(C)C1CCCCCC1)c1cccs1 54724595 PBYZJVLNLWQYGI-OAHLLOKOSA-N 322.474 3.497 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2sccc2C)c1C 58217580 FCPDLDNJTBXGTD-UHFFFAOYSA-N 304.415 3.349 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)N1CCN(C2CC2)CC1 58231376 LRAUWAJXWOKMEJ-UHFFFAOYSA-N 313.323 3.017 0 40 DGAB CC(C)(C)c1ccc(OC[C@@H](O)CSc2nncs2)cc1 61730162 ZOCKWLXFKGCKER-GFCCVEGCSA-N 324.471 3.368 0 40 DGAB CCc1oc2ccccc2c1CNCc1nnc2ccccn12 61743465 MQRWJPKEXCARGN-UHFFFAOYSA-N 306.369 3.328 0 40 DGAB COC(=O)CCCNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 62714663 RSTRSSQWDRYSRF-FMIVXFBMSA-N 303.402 3.067 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1 65607718 NYZOWEMQIZWITK-UHFFFAOYSA-N 318.465 3.022 0 40 DGAB Cc1nc2ccccc2nc1CN1CCC[C@@H]1c1cnn(C)c1 71799341 LMJCCPGFTXAMCF-GOSISDBHSA-N 307.401 3.009 0 40 DGAB O=C(CCc1ccncc1)N1CCCC[C@@H]1c1nccs1 72285813 LUKGMRKLODOAGQ-CQSZACIVSA-N 301.415 3.225 0 40 DGAB Cc1nccn1CCCC(=O)N1CCCC[C@@H]1c1nccs1 72285887 HAAXZEMVSJHRQC-CQSZACIVSA-N 318.446 3.182 0 40 DGAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72379412 FFNIJXJCSVPQGO-OAHLLOKOSA-N 301.777 3.480 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccnc(-c2ccc(Cl)cc2)n1 72379413 FFNIJXJCSVPQGO-HNNXBMFYSA-N 301.777 3.480 0 40 DGAB Cn1cc(CC(=O)Nc2ccc(CCC(F)(F)F)cc2)cn1 75108590 VOCPKEGWQLEBNK-UHFFFAOYSA-N 311.307 3.096 0 40 DGAB CCc1cccc(NC(=O)Nc2cnc(N3CCCC3)nc2)c1 75161965 RRAJVWXCNNOMIB-UHFFFAOYSA-N 311.389 3.283 0 40 DGAB CO[C@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 76343668 OCYLJAXQCNBPPT-LBPRGKRZSA-N 303.324 3.195 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)OC(=O)Cc1ccccc12 76914473 IEEVQVFVTGGACU-UHFFFAOYSA-N 317.385 3.012 0 40 DGAB Cc1cc(NC(=O)[C@@H]2CCCN(C)C2)ccc1Br 82336169 ARHAVZRSFSXCLQ-LLVKDONJSA-N 311.223 3.038 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)N1CCC[C@H](CO)C1 84560188 UKFGPLHDENWBOE-LBPRGKRZSA-N 317.414 3.046 0 40 DGAB COc1ccc(NS(=O)(=O)C[C@@H](C)c2ccccc2)cc1F 84640581 GPCRVCGXKLZRTK-GFCCVEGCSA-N 323.389 3.380 0 40 DGAB Cc1csc([C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C2CC2)n1 89705330 SBIUQBGPXHLNSL-HIFRSBDPSA-N 321.490 3.283 0 40 DGAB C[C@@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O 90518244 RBUMWEATONXZAT-QDUSTFBWSA-N 307.459 3.180 0 40 DGAB c1ccc2c(c1)CC[C@@H]2NC1CCN(CCc2ccncc2)CC1 95421519 ZTCDFQMCSSWZIM-NRFANRHFSA-N 321.468 3.366 0 40 DGAB Cn1cc(CNc2cc(CC3CC3)nn2-c2ccccc2)cn1 95455317 YTQNTDQLFFYLFE-UHFFFAOYSA-N 307.401 3.170 0 40 DGAB CN1C(=O)C[C@@H](C(=O)N2CC[C@H]2c2ccccc2)c2ccccc21 95954214 XYUJMYBUPQCFDU-SJORKVTESA-N 320.392 3.110 0 40 DGAB CC(C)N(C)C(=O)CSc1ccccc1Br 95972805 KFUILZDKAFUKJR-UHFFFAOYSA-N 302.237 3.408 0 40 DGAB COc1ccccc1C[C@H](C)CC(=O)N(C)Cc1cc(C)on1 96404721 PGRMLDKOTCCLTL-ZDUSSCGKSA-N 316.401 3.219 0 40 DGAB CC(C)=CCSc1ccccc1C(=O)N1CCC(O)CC1 96420654 PRHPWBRPLYFWOE-UHFFFAOYSA-N 305.443 3.342 0 40 DGAB COc1c(Cl)cc(NC(=O)NCc2ccon2)cc1Cl 96447152 CLGIYHAGHWHUPS-UHFFFAOYSA-N 316.144 3.312 0 40 DGAB C[C@H](Nc1ccc(Br)cn1)c1nnc2ccccn12 96453381 ZNFAQLJNYCQKHU-VIFPVBQESA-N 318.178 3.060 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1c(C)noc1C 96454228 PWKPWJJEINYLGU-OAHLLOKOSA-N 302.374 3.074 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)O)o1 96480295 DKQFLUZKJFOGRU-CXAGYDPISA-N 315.369 3.099 0 40 DGAB C[C@H](CC(=O)N(C)CC(F)F)C(=O)c1ccc(Cl)cc1 96495026 XBRVWBQCJCKEOA-SECBINFHSA-N 303.736 3.272 0 40 DGAB C[C@@H](CCC[C@H](C)C(=O)O)NCc1cnn(-c2ccccc2)c1 97212616 DQYYQWNHBZGBTE-GJZGRUSLSA-N 315.417 3.241 0 40 DGAB C[C@H](NCCSCc1ccccc1)c1nnc2n1CCCC2 192780162 AKRICRYNEDXFDG-AWEZNQCLSA-N 316.474 3.198 0 40 DGAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)COc1ccccc1F 206756467 VIDBZZHAMWJHAE-FUNVUKJBSA-N 309.406 3.090 0 40 DGAB Cc1ccccc1C(=O)N1CCC2(CC1)OC(=O)c1ccccc12 211107933 AURTVZLIZWHGLO-UHFFFAOYSA-N 321.376 3.297 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC(C)(C)C 222902374 CFXJTBGRTHFJEV-CYBMUJFWSA-N 322.424 3.258 0 40 DGAB O=C(Cc1cccc(Br)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225613190 WFXXKTITUNIKBL-YRGRVCCFSA-N 308.219 3.296 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](CC2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 227104627 NJRTUEXXPWWSFV-WAYYCVMKSA-N 323.751 3.331 0 40 DGAB Cc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1C 228920620 BTVMTFCZNWYVDE-UHFFFAOYSA-N 322.416 3.111 0 40 DGAB CC(C)Cc1ncc(-c2nccnc2C[C@H]2CCCNC2)s1 257218928 DEVZWICZLUDHQH-CYBMUJFWSA-N 316.474 3.341 0 40 DGAB CCCCCC(=O)NC(=S)Nc1c(C)ccc2nsnc12 408572573 KIMUOJSUUIQHCI-UHFFFAOYSA-N 322.459 3.393 0 40 DGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCCC1 409003557 SPNLNUYJZDKMRK-MRXNPFEDSA-N 324.465 3.473 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3sccc3C)C2=O)cc1 409244180 YZDYXRCOVWMEBL-NTEUORMPSA-N 312.394 3.458 0 40 DGAB O=C(O)c1conc1[C@H](O[C@@H]1CCCCO1)c1ccc(F)cc1 504206476 VAKCHQZZVIWYSP-UKRRQHHQSA-N 321.304 3.145 0 40 DGAB CCc1nc2ccc(Cl)cn2c1C(=O)N1C2CCC1CC2 572810297 LPGWPFRPJGDISG-UHFFFAOYSA-N 303.793 3.317 0 40 DGAB Cc1ccc(N(Cc2cccs2)C(=O)[C@@H](C)C(=O)O)cc1 844245960 FXUWILBJZGXABX-GFCCVEGCSA-N 303.383 3.310 0 40 DGAB CC1(C)CN(C(=O)c2ccc(Cn3cccn3)o2)[C@H]2CCC[C@H]21 1551157503 UHOMSOBQIWYTDO-CABCVRRESA-N 313.401 3.175 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3c(F)cccc3s2)C1 1888870202 YQJWDFKIMIYNMP-JTQLQIEISA-N 321.421 3.176 0 40 DGAB CCSc1nc2c(c(=O)n1-c1ccc(F)cc1)CCCC2 1888932245 OTGRJPDXMYMYDU-UHFFFAOYSA-N 304.390 3.362 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2cccnc2)CC1 10483 VGOAMNKXAIHIRL-UHFFFAOYSA-N 315.804 3.006 0 40 DGAB CC1=C(C)C[C@H](C(=O)Nc2ccc(F)cc2F)[C@@H](C(=O)O)C1 69676 FBPUHIZUSSEOAN-RYUDHWBXSA-N 309.312 3.351 0 40 DGAB CCCC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 512953 HAAIDTUCRSDNJM-UHFFFAOYSA-N 308.337 3.226 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NCc2cccc(Cl)c2)cc1 11610116 ICRSFPMWMIEVQL-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccc(C(=O)O)cc1 1648590 NPTMSBMCCAPHNY-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1sccc1C1CC1 89885299 MCNGXDRHAGEKDW-ZDUSSCGKSA-N 317.414 3.253 0 40 DGAB Cc1ccc2nc(SCc3cccc(Cl)c3)nc(=O)n2c1 4503745 MNVMRKALEDIGQM-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2ccccc2F)c1 7792306 IEIFINBOKOVWAT-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB Cc1nc2ccccc2n1C[C@@H](O)COCc1ccccc1F 21275339 SQTAXJUJAHCGDD-OAHLLOKOSA-N 314.360 3.062 0 40 DGAB Cc1ccc([C@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243770 YHGUDIDDJITDIT-MRXNPFEDSA-N 305.337 3.328 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 102398408 PLEOAGJMJJGBJQ-KHYOSLBOSA-N 324.428 3.212 0 40 DGAB COC(=O)c1ccc(C)c(NCC(=O)Nc2ccccc2C)c1 7976737 DPICSQIQXBZBGJ-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB CC(C)(C)OC(=O)NCCC(=O)Nc1nc2ccccc2s1 7922622 FOSIXCIMMADNAJ-UHFFFAOYSA-N 321.402 3.150 0 40 DGAB CCCC[C@H](CC)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 32945652 XABFXQSMAACBNZ-NSHDSACASA-N 321.446 3.159 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)c(C)s1 29897851 USKNFDPTPBOSPV-LLVKDONJSA-N 318.446 3.174 0 40 DGAB O=C(OCc1ccccc1F)c1c(Cl)nc2ccccn12 32936179 OSFLGSUMGFRDCA-UHFFFAOYSA-N 304.708 3.484 0 40 DGAB CCCC(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 9140569 TUPLYVLRDVCLTN-UHFFFAOYSA-N 307.202 3.312 0 40 DGAB Cc1sc(CCN2CCCC2=O)nc1-c1ccc(F)cc1 42182412 WCGJIJNBUZXRPG-UHFFFAOYSA-N 304.390 3.423 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccnc(Cl)c2)c1C 27442487 DEHWOJSABSUINF-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 100892246 HATUQRDWMMYCIN-QZTJIDSGSA-N 301.386 3.419 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccsc1 47165936 SVVLGZKDLQGFQA-WCQYABFASA-N 324.446 3.325 0 40 DGAB COc1ccc(CCNCc2c[nH]nc2-c2cccs2)cc1 24001921 SGPXUVJZUJLKIG-UHFFFAOYSA-N 313.426 3.479 0 40 DGAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1S 42852872 QSSABJHBJRORMR-IUCAKERBSA-N 304.337 3.221 0 40 DGAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H]1CCCO1 42866598 NKTRPMXUSSQDQQ-RYUDHWBXSA-N 319.430 3.178 0 40 DGAB COc1cccc([C@H]2CCCN2Cc2ncc(Cl)n2C)c1 54979010 HLKKQSPPSABBHT-CQSZACIVSA-N 305.809 3.419 0 40 DGAB Cc1noc(C)c1C(=O)OCc1cc(Cl)c2c(c1)OCO2 24983406 DYTFWOWBVICGDO-UHFFFAOYSA-N 309.705 3.031 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H]1C(=O)N(c3cc(C)cc(C)n3)C(=O)[C@H]12 102662376 GMXCSMUFVUALIH-PYTWLRIVSA-N 310.397 3.180 0 40 DGAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@H]1C[C@H]1c1ccco1 107494308 XNGURNIJVALTKF-OWCLPIDISA-N 321.380 3.206 0 40 DGAB O=C(NC[C@H](O)c1ccccc1F)Nc1cccc(Cl)c1 27350989 ZMJORTBPOTUOCG-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB O=C(COC(=O)c1cccnc1Cl)c1cccc(Cl)c1 3228433 JRVGGNXANWXRGB-UHFFFAOYSA-N 310.136 3.428 0 40 DGAB C[C@H](NC[C@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 58296410 HSQXVJOLVOWATQ-RYUDHWBXSA-N 324.350 3.294 0 40 DGAB CCCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 27794656 FKGDQOGUNZCYDN-NSHDSACASA-N 323.393 3.426 0 40 DGAB COC[C@H](C)NC(=O)c1ccc(CSc2ccccc2)o1 28277188 PAXQSUXAHCZIRJ-LBPRGKRZSA-N 305.399 3.337 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc(Cl)c(C(=O)O)c1 20143743 ARHXOCKTYQIARZ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C1C[C@@H](C(=O)Nc2cccc(F)c2)c2ccc(F)cc2N1 12799586 ZCLCHZCQGPXWMK-CYBMUJFWSA-N 302.280 3.029 0 40 DGAB C[C@@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1ccco1 48290433 MYRWVSHINAXKLR-RXMQYKEDSA-N 306.269 3.033 0 40 DGAB CC(=O)COC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 3475165 BILKWMUNFKXFAX-UHFFFAOYSA-N 308.337 3.080 0 40 DGAB COc1ccc(NC(=O)N2CCc3sccc3C2)cc1F 48450979 MTAYONPOUQXVBO-UHFFFAOYSA-N 306.362 3.486 0 40 DGAB COc1cccc(=O)c2c(C)n(-c3ccc(C(=O)O)cc3)c(C)c12 3999909 DOYOMWGGFUTYAT-UHFFFAOYSA-N 323.348 3.314 0 40 DGAB biogenic OCCN(Cc1ccccc1)c1ncnc2c1oc1ccccc12 6078792 MVPSXQUTRRBXMO-UHFFFAOYSA-N 319.364 3.375 0 40 DGAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)[C@@H]1CCOC1 65475537 YQDIKLXTBOKYBN-OAHLLOKOSA-N 308.381 3.356 0 40 DGAB CC(C)C[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5352842 DBQIIQWWNCJPEG-MRXNPFEDSA-N 316.401 3.106 0 40 DGAB in-vitro C[C@@H](Nc1cccc(N2CCCCC2)c1)C(=O)NC(C)(C)C 66389884 LLNQZPIDHGGWEH-CQSZACIVSA-N 303.450 3.392 0 40 DGAB C[C@H](SC1=NCCS1)C(=O)Nc1ccc2c(c1)CCC2 15642281 BAKHZERNDVTKMU-JTQLQIEISA-N 306.456 3.338 0 40 DGAB CC/C=C(\C)C(=O)NC1CCN(Cc2ccccc2F)CC1 96309339 MCFHLOPYXGIHGQ-MKMNVTDBSA-N 304.409 3.263 0 40 DGAB O=C(CSCc1cccnc1)N1CCCc2cccc(F)c21 71853648 PJDYPKCSTPGBJP-UHFFFAOYSA-N 316.401 3.433 0 40 DGAB Cc1cc(CC(=O)N2CC(C)(C)Sc3ccccc32)no1 84116986 HAPGRSVJJPEODF-UHFFFAOYSA-N 302.399 3.443 0 40 DGAB COC(=O)NCc1ccc(N[C@H](C)c2nc(C(C)C)no2)cc1 71910253 FKEHPPJVMZSPHM-LLVKDONJSA-N 318.377 3.222 0 40 DGAB CCOc1ccccc1NC(=O)N[C@H](CCO)c1ccccc1 72294157 NBUTUSKAJHXQBE-OAHLLOKOSA-N 314.385 3.331 0 40 DGAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)c1cccc2cc[nH]c12 97036531 RKBHELFQZGGJMW-INIZCTEOSA-N 322.364 3.422 0 40 DGAB CCCN1CC[C@H](CNC(=O)Nc2ccc(OC(C)C)cc2)C1 97258120 AGWIICQTXYFTCD-OAHLLOKOSA-N 319.449 3.327 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)CCc3cccs3)C2)n[nH]1 76059800 PDTQMVMLNIESSG-ZDUSSCGKSA-N 303.431 3.118 0 40 DGAB CN(C)[C@H](C(=O)Nc1nccs1)c1c(F)cccc1Cl 78869328 BTFWECTZOVDGAL-NSHDSACASA-N 313.785 3.177 0 40 DGAB O=C(NCC(C1CC1)C1CC1)c1cncc(Br)c1 88458887 VYLHZDGKRBRWJV-UHFFFAOYSA-N 309.207 3.010 0 40 DGAB CCC(CC)(CO)NC(=O)Nc1cccc(CC(F)(F)F)c1 79051749 ASVURIKSVJXBFM-UHFFFAOYSA-N 318.339 3.464 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@H](CCC(=O)O)C1 95992019 BQKLDWXFWPZGCL-QWHCGFSZSA-N 309.431 3.030 0 40 DGAB CC(C)[C@H](C)SCC(=O)Nc1cccc(C(=O)N(C)C)c1 79082365 VYCOOHSUDQZSAM-LBPRGKRZSA-N 308.447 3.105 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2c(C)noc2C)n1 75131839 ISLOMAYRQBDUGC-MRXNPFEDSA-N 302.422 3.159 0 40 DGAB CC(C)OCCN1CCC(C(=O)c2cc(F)ccc2F)CC1 61078920 OVCLOXOVSWIPEO-UHFFFAOYSA-N 311.372 3.285 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1c[nH]c2ccccc2c1=O 22234059 BFENYLQLNSOHRG-GOSISDBHSA-N 318.376 3.336 0 40 DGAB CC(C)CCNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 67897874 YDCVCLIUSRXMKO-UHFFFAOYSA-N 318.392 3.428 0 40 DGAB biogenic,in-vitro CC(C)C(=O)N1N=C(C2CCCCC2)C[C@]1(O)C(F)(F)F 409351344 SOHOPWUNFMHCDL-ZDUSSCGKSA-N 306.328 3.062 0 40 DGAB CC(C)(C)NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 32379450 SRTXNQKEWJSHTI-UHFFFAOYSA-N 322.836 3.107 0 40 DGAB O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)o1 72260082 YQSSJGXUMRPNLH-UHFFFAOYSA-N 311.341 3.089 0 40 DGAB CCn1c(SCc2ccc(F)cc2)nnc1-c1cnn(C)c1 32604371 FTMQWSRJYOASBH-UHFFFAOYSA-N 317.393 3.130 0 40 DGAB Cc1cc([C@H]2CCCN2Cc2ccc(C(=O)O)cc2F)on1 563278753 VHSANTMUFKUSPJ-CQSZACIVSA-N 304.321 3.157 0 40 DGAB C[C@@](O)(CNc1ncnc2ccc(F)cc12)c1ccsc1 77236605 AJBYJESVBQRAJJ-OAHLLOKOSA-N 303.362 3.150 0 40 DGAB CC(C)c1nnc2sc(-c3cc(Cl)c4c(c3)OCO4)nn12 44921065 HFNAXEVSRGLTHO-UHFFFAOYSA-N 322.777 3.358 0 40 DGAB CCOC(=O)CN(C(=O)c1ccnc2ccccc12)C(C)(C)C 193827296 ISBKWWOGRORWMF-UHFFFAOYSA-N 314.385 3.039 0 40 DGAB CC(C)c1nnc(CCC(=O)O[C@@H]2CCc3ccccc3C2)o1 80290005 IYRGCJDRQCYYEX-OAHLLOKOSA-N 314.385 3.226 0 40 DGAB Cc1cc([C@](C)(O)CNC(=O)c2cc3ccccc3[nH]2)c(C)o1 80899143 RTXBRHHQADMIAB-GOSISDBHSA-N 312.369 3.015 0 40 DGAB c1coc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)c1 96200781 RDCOTLOJEVQQKJ-OALUTQOASA-N 312.413 3.287 0 40 DGAB CC(C)(C)OC(=O)NC1(c2noc(-c3ccco3)n2)CCC1 96405344 MKQOBVBJTDVRIA-UHFFFAOYSA-N 305.334 3.234 0 40 DGAB Cc1nsc(NC(=O)c2nc(C)oc2-c2ccccc2)n1 97376328 FVCHFUJWXXFZRT-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB COc1cc(Cl)ccc1C(=O)Nc1ccc([S@@](C)=O)cc1 96427001 KWHGPAOAJOELNP-NRFANRHFSA-N 323.801 3.338 0 40 DGAB C[C@@H](CCn1cccn1)Nc1cccc(C(=O)N2CCCC2)c1 97234766 KANYTQFFKPZQBQ-HNNXBMFYSA-N 312.417 3.010 0 40 DGAB CS(=O)(=O)Cc1ccccc1NC[C@@H]1CCc2ccccc21 584908447 DHWMUQZMNCJNRU-HNNXBMFYSA-N 315.438 3.373 0 40 DGAB CCc1cc(CCCS(=O)(=O)c2ccc(C)c(C)c2)on1 585136788 SOQIZRAGOIPLGN-UHFFFAOYSA-N 307.415 3.260 0 40 DGAB CC(C)c1nc(COc2ccc(N=S(C)(C)=O)cc2)no1 585123036 RGGPEAOAOCWJCL-UHFFFAOYSA-N 309.391 3.131 0 40 DGAB Cc1n[nH]cc1CN1CC[C@@H](Cc2ccnc3ccccc23)C1 257210403 BULRPSRXZMOBNO-HNNXBMFYSA-N 306.413 3.331 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)C[C@H](CC(=O)O)c2ccccc2)C1 252515314 IJDRUHJABQUVLE-IIAWOOMASA-N 303.402 3.140 0 40 DGAB Clc1ccccc1C[C@@H]1COCCN(C2CCOCC2)C1 257293763 QRCMTONRVUAANO-AWEZNQCLSA-N 309.837 3.010 0 40 DGAB Cc1cc(C)c(C(=O)O)cc1NC(=O)CCc1nccs1 262548292 SNYWUXNNFIMBGF-UHFFFAOYSA-N 304.371 3.029 0 40 DGAB Cc1cc(SCC(=O)NCc2ccccc2)nc(C(C)C)n1 8936279 NXAIBIXPGHBNSA-UHFFFAOYSA-N 315.442 3.317 0 40 DGAB CN(C)Cc1cc(Br)ccc1Oc1ncccn1 575422817 JCEJOQBSMYTRDU-UHFFFAOYSA-N 308.179 3.093 0 40 DGAB C[C@@H](NC[C@H](c1ccsc1)N(C)C)c1nc(C(C)(C)C)no1 69157775 CLTFNKWNSRRWDW-DGCLKSJQSA-N 322.478 3.382 0 40 DGAB Cc1ncsc1CNCc1cc(Cl)c2c(c1)OCCO2 71212646 GJEBXZZZBXFUCG-UHFFFAOYSA-N 310.806 3.166 0 40 DGAB COc1cc(C(=O)NC2[C@@H]3CCCC[C@@H]23)cc(Cl)c1OC 101457366 IDSWAZRKWHSYTM-GHMZBOCLSA-N 309.793 3.276 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1cc(Br)ccc1Cl 1083806347 LHXQBGDHULMXHE-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB CN(C)c1ccc(C(=O)NCc2ccc(OC(F)F)cc2)cc1 11510775 CZLYLQVPVXJSCA-UHFFFAOYSA-N 320.339 3.284 0 40 DGAB C[C@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2 11914997 IUQIYICENMVXFA-JTQLQIEISA-N 304.321 3.099 0 40 DGAB Cc1c(C)n(C[C@@H](O)Cn2ccnc2)c2c(Cl)cccc12 12421912 PRZDNUWIZSXTSM-ZDUSSCGKSA-N 303.793 3.169 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 13154545 QCKPIKBKCZBMEY-DJBIQUGXSA-N 321.298 3.407 0 40 DGAB COC(=O)c1cccc(NC(=O)CCC(=O)c2ccccc2)c1 15976687 QTLUJMIYEMNLDK-UHFFFAOYSA-N 311.337 3.075 0 40 DGAB CCn1c(CNC(=O)C2(c3ccccc3)CC2)nc2ccccc21 16046725 MTTMWFUTHPVUHE-UHFFFAOYSA-N 319.408 3.404 0 40 DGAB O=C(O)CCCc1nc(-c2ccc(Cl)cc2Cl)no1 17087030 HJPULQSCRQKXFW-UHFFFAOYSA-N 301.129 3.451 0 40 DGAB Cc1cc(OC[C@H]2CCCN(C[C@H]3CCCCO3)C2)ccn1 1888842704 WJMWPAZTLACBKL-FUHWJXTLSA-N 304.434 3.050 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2ncc(Cl)cc2Cl)C1 1888853203 SFWHKFMDTNOJNO-VIFPVBQESA-N 316.232 3.129 0 40 DGAB Cc1nccc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1888888155 JRGNETGSTJQXLS-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB Cn1nc(-c2cccs2)cc1CNC(=O)Cc1cccs1 1775966565 LPFPBBAJNCCCPU-UHFFFAOYSA-N 317.439 3.069 0 40 DGAB O=C(Cn1cccn1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206879800 XMQPRAGSEWYYSQ-OAHLLOKOSA-N 317.820 3.333 0 40 DGAB Cc1ccc(-n2cc(C(=O)N(C)CC3CCCCC3)nn2)cc1 40093616 YALMACCUUQXYIS-UHFFFAOYSA-N 312.417 3.228 0 40 DGAB CCCc1noc(CCC(=O)Nc2cccc3c2CCCC3)n1 30799408 NWXBXMAIZMGPQB-UHFFFAOYSA-N 313.401 3.472 0 40 DGAB Cc1ccc(C2=NNC(=S)C3=CNc4ccccc4N32)cc1 31287 URBHCIYYXJSYIX-UHFFFAOYSA-N 306.394 3.361 0 40 DGAB O=C(NCCCc1ccccc1)c1cn[nH]c1-c1ccccc1 28927105 HQPYWFDTGDWNLB-UHFFFAOYSA-N 305.381 3.439 0 40 DGAB CCOC(=O)CCC(=O)c1ccccc1CN1CCCCC1 2515538 ZCHIRWCVPHTAFY-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB CCOc1ccccc1C(=S)NCc1ccc2c(c1)OCO2 4720998 DEZCCTLQARVOSJ-UHFFFAOYSA-N 315.394 3.279 0 40 DGAB O=S1(=O)c2ccccc2C(O)(c2ccccc2)c2ccccc21 4726199 LBVZDBOJWNAZQS-UHFFFAOYSA-N 322.385 3.117 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N[C@H]1CCCc2ccccc21 6933583 YWZHSFQYAPVKQZ-KRWDZBQOSA-N 323.392 3.194 0 40 DGAB CCC(=O)Nc1ccc(C(=O)COC(=O)c2cccs2)cc1 7533612 QDXWXZQZYPLGME-UHFFFAOYSA-N 317.366 3.136 0 40 DGAB CCOC(=O)COc1cc(OCC=C(C)C)ccc1C(C)=O 21299855 JSTNTJMMYLABFH-UHFFFAOYSA-N 306.358 3.176 0 40 DGAB O=C(c1ccc(Cl)cc1)n1c(S)nc2ccccc2c1=O 103650469 WXSXUFROJKULAO-UHFFFAOYSA-N 316.769 3.027 0 40 DGAB CC[C@H](C(=O)N1CCC(c2nc(C)no2)CC1)c1ccccc1 41121815 WFNYIASFEMAPEA-INIZCTEOSA-N 313.401 3.278 0 40 DGAB Cc1cc(S[C@H](C)C(=O)Nc2ccc(F)cc2)nc(C)n1 12016798 NNWOEFRXDMCBTE-SNVBAGLBSA-N 305.378 3.352 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC2CCCCCCC2)cc1C 60775010 HKFNZIUTECCKLY-UHFFFAOYSA-N 302.418 3.471 0 40 DGAB COc1cccc(-c2nnc3n2N=C(C(C)(C)C)CS3)c1 531741 WJHCCSRZEBRIMU-UHFFFAOYSA-N 302.403 3.310 0 40 DGAB COc1cccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 530255 PJFXSRMJXXDGMP-CYBMUJFWSA-N 321.380 3.102 0 40 DGAB O=C(Nc1cnn(CC(F)F)c1)c1ccc2[nH]c(=S)oc2c1 81045953 VWQMSTUSDHBITP-UHFFFAOYSA-N 324.312 3.204 0 40 DGAB O=C(NCc1ccc(CN2CCCCC2)cc1)Nc1cccnc1 12543758 QLEVIZRKTSGJDR-UHFFFAOYSA-N 324.428 3.389 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)cc1 23702722 XPWOSCZGGXFYLB-GOSISDBHSA-N 324.380 3.002 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1C[C@H]2CC[C@H]1C2 105577169 GUZHSAPXLFFRMF-ZQIUZPCESA-N 314.429 3.455 0 40 DGAB Cc1ccc(CNC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 24566676 QETRIAKDKTYMPA-HNNXBMFYSA-N 317.458 3.159 0 40 DGAB O=C(Nc1nccs1)c1ccc(OCc2cccnc2)cc1 24546557 ZEQFLARGKAVJQH-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB O=C(/C=C/c1ccco1)Nc1ccc(F)c(NC(=O)C2CC2)c1 24841734 ZHEVFNJQRNUNOO-SOFGYWHQSA-N 314.316 3.419 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)NCC2CCC(C)CC2)cc1 56818817 RMIXHCPNPUTWOM-UHFFFAOYSA-N 317.433 3.271 0 40 DGAB Cc1ccc(NC(=O)N(CCN(C)C)Cc2ccncc2)s1 75415418 OOZGNFQGIWCPNO-UHFFFAOYSA-N 318.446 3.047 0 40 DGAB C[C@@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 22605986 MMSGCMUDYCUOHX-LLVKDONJSA-N 310.328 3.158 0 40 DGAB COc1ccc(CC[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 60157352 NMUCIFPXRXRCFX-CYBMUJFWSA-N 323.396 3.323 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c1 12626108 MJVOJJSYUBPGBP-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB Fc1ccccc1N1CCN(Cc2noc3c2CCCC3)CC1 108850251 PMUZACKZJLZJPJ-UHFFFAOYSA-N 315.392 3.015 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCc2ccccc2)C1 58172955 BWFNPYRZAOGDNH-CALCHBBNSA-N 316.489 3.492 0 40 DGAB COc1cccc(NC(=O)[C@@H](c2ccccc2)N2CCCC2)c1 3351795 ZMMIFRVJPCCYOV-GOSISDBHSA-N 310.397 3.471 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)C)cc1C 16453071 DIEKHFKTQNGAHM-GFCCVEGCSA-N 304.419 3.234 0 40 DGAB Cc1ccc2ncn(Cc3coc(-c4cccs4)n3)c(=O)c2c1 58264182 NDEFSKMDCJFPGY-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB COc1cccc(NC(=O)c2snnc2-c2ccccc2)c1 36366005 UDVWEMVQUUOYKV-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCCOC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12787327 DBZQFTVVYVNAQO-UHFFFAOYSA-N 314.385 3.080 0 40 DGAB CN(C)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 48265714 MVYNKDDHUPVENR-INIZCTEOSA-N 302.805 3.373 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NC(C1CC1)C1CC1 12951463 KRZYBQXJEZAYFO-IZZDOVSWSA-N 307.397 3.190 0 40 DGAB CCc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12995067 HHOHRYZANGMXGK-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB CCN(CC)C(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20608555 WLDWUGNYLZVGNR-UHFFFAOYSA-N 322.836 3.061 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 70037413 OMEZHEXDEYHKMD-HNNXBMFYSA-N 301.390 3.096 0 40 DGAB CC(C)[C@@H](C)NC(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 69389776 CREWBBMJYHPACJ-GHMZBOCLSA-N 320.368 3.280 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccc(C)cc1 14014940 SPOGPRHNAHJTDY-UHFFFAOYSA-N 303.383 3.041 0 40 DGAB c1ccc(CNc2nnc(Sc3ncccn3)s2)cc1 14140646 BCYTZAUHGVRWDX-UHFFFAOYSA-N 301.400 3.091 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@H](C)O1 14166725 XMDGXHOPQJNPJT-RYUDHWBXSA-N 323.483 3.415 0 40 DGAB Cc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)n[nH]1 28239611 VGJXMAXAJQADEZ-UHFFFAOYSA-N 307.353 3.403 0 40 DGAB c1ccc(-c2cc(CN3CCC[C@H](c4cn[nH]c4)C3)n[nH]2)cc1 92810199 FQFGZRMFEXSPLO-HNNXBMFYSA-N 307.401 3.179 0 40 DGAB CC(C)COC(=O)Nc1cccc(NC(=O)Nc2cn[nH]c2)c1 67554755 KDQVYELPRTYHIQ-UHFFFAOYSA-N 317.349 3.258 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc2ccccc2c1 9113787 OHAXCNWPJOBGBQ-KSSFIOAISA-N 324.424 3.265 0 40 DGAB CCc1cc2c(=O)n(CCOc3ccccc3F)cnc2s1 9390267 ZXFMEMSKVJSQKN-UHFFFAOYSA-N 318.373 3.239 0 40 DGAB CC(C)c1nnc(CN2CCC[C@H]2C[C@H](O)c2ccccc2)o1 76075613 REBLMNPNYVNPHD-HOTGVXAUSA-N 315.417 3.281 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)CCc2ccco2)n1 71865477 LYCIJVIFMLMQGF-INIZCTEOSA-N 315.417 3.107 0 40 DGAB CCC(CC)[C@H](CNC(=O)Nc1ccccc1COC)N(C)C 71920199 JLXFMKCFSALMAA-KRWDZBQOSA-N 321.465 3.321 0 40 DGAB COc1ccccc1NC(=O)N1C[C@@H](O)C[C@@H]1C1CCCCC1 72285610 WFVNFXAGWFFQGN-GOEBONIOSA-N 318.417 3.243 0 40 DGAB CCN(CC)C(=O)[C@@H](C)Sc1ccc(Br)cn1 97150666 OKWBEZDGPHQPKF-SECBINFHSA-N 317.252 3.193 0 40 DGAB CCc1ncsc1C(=O)N[C@@H](C)CC(=O)c1ccc(F)cc1 97230435 DGLLAANYVGWOBF-JTQLQIEISA-N 320.389 3.236 0 40 DGAB O=C(c1ccc2nncn2c1)N1CC2(CCCC2)c2ccccc21 84579290 JEKVYOXTRDZHIQ-UHFFFAOYSA-N 318.380 3.202 0 40 DGAB O=c1c2oc3ccccc3c2ncn1Cc1ccc(F)c(F)c1 72751216 YIHIJICQYHMCOE-UHFFFAOYSA-N 312.275 3.469 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc[nH]c2=S)cc1 97673638 KZZXYLASVPPZAB-UHFFFAOYSA-N 302.355 3.173 0 40 DGAB CC(=O)c1csc(C(=O)N[C@H](C)C[C@H](O)c2ccccc2)c1 95417792 XEFVWLDRCDQEGP-ABAIWWIYSA-N 317.410 3.193 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCCO[C@H]1CCOC1 95423736 RLGZRDYXYHHJKP-DOTOQJQBSA-N 317.429 3.218 0 40 DGAB CC(C)S(=O)(=O)Cc1ccc(NCc2cccnc2)cc1 95428920 YNDFXQAKHHTBHI-UHFFFAOYSA-N 304.415 3.017 0 40 DGAB NC(=O)[C@@H](NCc1ccc(-c2cccnc2)cc1)c1ccccc1 95404437 ABXRVIGCKCPRAB-IBGZPJMESA-N 317.392 3.065 0 40 DGAB O=C(C[C@H]1CCCC1(F)F)NCc1nc2cc(F)ccc2o1 1548453533 QDBXAZSGLFWOAE-SECBINFHSA-N 312.291 3.409 0 40 DGAB O=C(CC1CCCC1)NCC1(c2ccccc2)CCOCC1 38591717 SYNDPYDOJPHRJH-UHFFFAOYSA-N 301.430 3.431 0 40 DGAB COCc1ccccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 79336441 XCUZBBSEKQEABA-IBGZPJMESA-N 324.424 3.436 0 40 DGAB O=C(Nc1ccn2nccc2c1)c1ccc(C(F)(F)F)nc1 217957472 RGOGSMRNXBUGFH-UHFFFAOYSA-N 306.247 3.000 0 40 DGAB CC1(C)[C@H](c2ccccc2)C[C@H]1NCCn1cnnc1C1CC1 123530677 GLARDDHVCWTSKI-DLBZAZTESA-N 310.445 3.327 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 72227116 VROHEIWMFYHSQD-NWDGAFQWSA-N 312.316 3.182 0 40 DGAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc1OC 35857412 FOIXJKJVLPARQZ-KRWDZBQOSA-N 324.380 3.401 0 40 DGAB CC(C)Nc1cc(F)ccc1NC(=O)[C@H](O)c1ccccc1 73920516 SSFUVEVCXLXZOK-MRXNPFEDSA-N 302.349 3.318 0 40 DGAB NCCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 34196274 NSMZTYPXRYZENQ-UHFFFAOYSA-N 323.484 3.133 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N([C@@H](c2ccccc2C)C2CC2)C1=O 558274177 KYLQEOVRBVUHBP-KNXALSJPSA-N 300.402 3.413 0 40 DGAB NC(=S)Nc1cccc(NC(=O)c2ccccc2Cl)c1 72229788 NOQWLUSVDNSVGL-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C3CCCCC3)c2)n1 47318239 NUNNAQLLNMLBPF-UHFFFAOYSA-N 311.385 3.264 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)[nH]1 222853616 AVJXXSNCLUKHOS-HUUCEWRRSA-N 300.431 3.099 0 40 DGAB Cc1nc(COc2ccc(CNc3ncccn3)cc2)cs1 195573300 XGXZIWCKCNUZJU-UHFFFAOYSA-N 312.398 3.433 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)N[C@@H](C)CC 225050602 KQYSUFAOFQBJJF-LSDHHAIUSA-N 304.434 3.037 0 40 DGAB CC(C)Sc1nnc(NC(=O)Cc2ccccc2F)s1 225452319 FQNFIEVTPWHZFN-UHFFFAOYSA-N 311.407 3.359 0 40 DGAB Cc1cccnc1NC(=S)N[C@H](C)COc1ccccc1 225784435 HTLFTXLRMVWRIA-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB O=C(COc1cccc2c1CCCC2)NCCc1ccccc1 225777161 ALHMAODKCLOLPS-UHFFFAOYSA-N 309.409 3.303 0 40 DGAB O=C1NCc2ccc(NCc3sccc3Br)cc21 195564581 SEKCQUIUOMRTND-UHFFFAOYSA-N 323.215 3.366 0 40 DGAB CCO[C@@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@H](C)C1 225900614 IAECCHHDWWBDOR-SJCJKPOMSA-N 306.406 3.323 0 40 DGAB O=C(CCCc1nnc2ccccn12)NC1CCCCCCC1 96223596 BKOQMTJLVWSMLY-UHFFFAOYSA-N 314.433 3.281 0 40 DGAB COC(=O)c1cc(NC(=O)NCCC(F)(F)F)ccc1Cl 96434048 KPMPELUWQMNSDQ-UHFFFAOYSA-N 324.686 3.201 0 40 DGAB CC[C@H]1CN(C(=O)Nc2cnn(C)c2)CC[C@H]1c1ccccc1 96445884 UNUYULGPLPTGGL-WMLDXEAASA-N 312.417 3.468 0 40 DGAB CC(=O)c1c(C)nc(C)nc1SCCc1csc(C)n1 95453253 GFYMVJXRFWLOAZ-UHFFFAOYSA-N 307.444 3.396 0 40 DGAB COc1ccccc1/C=C/CN1CCC(c2ccnn2C)CC1 92810434 PGKGYHJNYIJXLN-FNORWQNLSA-N 311.429 3.322 0 40 DGAB C[C@H](C(=O)N[C@@H](CC(=O)O)c1cccs1)c1cccs1 96479648 VBFWOXNOOZQLDI-UWVGGRQHSA-N 309.412 3.245 0 40 DGAB C[C@H](NC(=O)Nc1nccs1)c1cccc(-n2ccnc2)c1 96433661 LXRUKPOLZGAPMD-NSHDSACASA-N 313.386 3.212 0 40 DGAB Cc1ccncc1CO[C@@H]1CCOC2(C1)CN(C1CCCC1)C2 247838575 OOEYPNPAYBRWON-GOSISDBHSA-N 316.445 3.083 0 40 DGAB CCN(CC)C(=O)c1onc(-c2ccc(F)cc2)c1[C@H](C)O 253395646 CBDILWLXGMTQMQ-JTQLQIEISA-N 306.337 3.016 0 40 DGAB biogenic,in-vitro c1ccc(CN2CCC3(CC2)CO[C@H](Cc2cccnc2)C3)nc1 257330061 XMPQESUFSGVUQJ-LJQANCHMSA-N 323.440 3.090 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1cc(Cl)no1 257277408 NXVMCQNBSNBXCR-GFCCVEGCSA-N 322.796 3.046 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(Cc3nccn3C(C)C)C2)c1 257257815 KREOPWRQJAXDTG-OAHLLOKOSA-N 313.449 3.199 0 40 DGAB CON1CCC(Cc2nc(Cc3ccccc3Cl)no2)CC1 585133687 QROUODRLDSZIIX-UHFFFAOYSA-N 321.808 3.130 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257259277 KXPSLPPXGOUFPV-AWEZNQCLSA-N 309.369 3.402 0 40 DGAB CC(C)N1[C@H]2CCCC(=O)N[C@@]2(C)C[C@H]1Cc1ccccc1 257231482 GGXLSPWJQQFQHQ-AOIWGVFYSA-N 300.446 3.139 0 40 DGAB Cc1cc(C(N)=O)cc(C)c1OC(=O)c1cccc(Cl)c1 256054590 WXKJTHBXJUSFSP-UHFFFAOYSA-N 303.745 3.275 0 40 DGAB Cc1cc(C(=O)NCc2nncn2C(C)C)c(C)cc1Cl 280492411 KFQAZGJNQIAKGK-UHFFFAOYSA-N 306.797 3.059 0 40 DGAB CO[C@H]1C[C@@H]2CN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C[C@@H]2C1 585260797 MHONTGGCSOEYRA-ZSHCYNCHSA-N 312.413 3.282 0 40 DGAB O=[S@](CCSc1ncc2ccccn12)c1ccccc1 47221991 QEJVORRRXKSJTD-FQEVSTJZSA-N 302.424 3.234 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NC(=O)Oc2ccccc2)CC1 68868016 QNMJQJKCHBULJR-UHFFFAOYSA-N 320.389 3.175 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2ccc(F)c3cccnc23)cn1 69921743 CJPWMNGXHHSUPI-QGZVFWFLSA-N 310.376 3.445 0 40 DGAB CCc1ncc2c(n1)CN(CCCc1nc3ccccc3o1)CC2 69949443 AWMUJPWGJOYDBL-UHFFFAOYSA-N 322.412 3.171 0 40 DGAB Cc1ccc(Cn2cccc(NC(=O)c3ccco3)c2=O)cc1 5000883 AOEPYPKQPXOMGS-UHFFFAOYSA-N 308.337 3.050 0 40 DGAB CC1(C)CC(=O)C(Cc2ccccc2)(C[n+]2ccccc2)C(=O)C1 5414968 HXWPYDOEAFGBNJ-UHFFFAOYSA-N 322.428 3.161 0 40 DGAB CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@@]2(O)CCN1C(C)=O 12861351 CTGDXOZPIXKQGX-BHIYHBOVSA-N 317.429 3.300 0 40 DGAB biogenic CSCC[C@@H]1NC(=S)N(c2ccc(C(C)C)cc2)C1=O 14200842 XROJUODQQMEXAA-ZDUSSCGKSA-N 308.472 3.153 0 40 DGAB CCC(CC)C(=O)N1CCC(c2nnc3n2CCCCC3)CC1 19500121 ICJQGGRATFQREW-UHFFFAOYSA-N 318.465 3.147 0 40 DGAB CCn1cncc1CN1CCC[C@H](c2cc3cccnc3[nH]2)C1 19578639 FRCNQJFRPFEIFG-HNNXBMFYSA-N 309.417 3.159 0 40 DGAB COc1cccc(CN2CCC(N(C)c3ccccn3)CC2)c1 1889124880 BUBKYRLZCKJSEW-UHFFFAOYSA-N 311.429 3.191 0 40 DGAB c1ccc(OCCCN2CC[C@@H]3CN(c4ccccn4)C[C@@H]32)cc1 1889130398 TWYXCSCIQWYJGK-MJGOQNOKSA-N 323.440 3.061 0 40 DGAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(Cl)cc1 31098302 BCFCWQZSPVVDKY-AWEZNQCLSA-N 320.776 3.204 0 40 DGAB CSc1cccc(NC(=O)C(=O)Nc2ccc(C)cc2)c1 10326317 UZFPNKAFAFVSIX-UHFFFAOYSA-N 300.383 3.294 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 17010518 BWRGLKIQFGYGCN-UHFFFAOYSA-N 308.381 3.465 0 40 DGAB C[C@H]1Cc2cc(-c3cc(CNC(=O)c4ccco4)no3)ccc2O1 38751445 NVLFUDKWHMRDRS-NSHDSACASA-N 324.336 3.188 0 40 DGAB O=C(Cc1cc(C(=O)O)c2ccccc2n1)Nc1ccccc1 20523272 ZEMRXGGLTYGNDX-UHFFFAOYSA-N 306.321 3.114 0 40 DGAB COCCCCNC(=O)c1c(-n2cccc2)sc(C)c1C 40108378 QVERTQWREKEYPX-UHFFFAOYSA-N 306.431 3.312 0 40 DGAB S=C1NCN(CCC2=CCCCC2)CN1Cc1ccccc1 20171581 KXDDELXQTXMZBM-UHFFFAOYSA-N 315.486 3.484 0 40 DGAB Cc1ccc(NC(=O)CN(C)[C@H](C)c2nc(C(C)C)no2)cc1 40496438 LYVWWQWBFFYQDP-CYBMUJFWSA-N 316.405 3.133 0 40 DGAB Cc1cc(C)n(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 192097 KJRMKWJWBIEPIK-UHFFFAOYSA-N 319.213 3.352 0 40 DGAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(C)n1)NCC2 20494356 LEEUVQZTYQCXTA-LJQANCHMSA-N 312.413 3.423 0 40 DGAB CCOCCCC(=O)Nc1cc2c(cc1Cl)OCCCO2 40548435 PQGWJIZJRKFVFO-UHFFFAOYSA-N 313.781 3.257 0 40 DGAB CCn1cnc2cc(NS(=O)(=O)c3ccc(C)cc3)ccc21 268733 BWRLFAVXHFYLJO-UHFFFAOYSA-N 315.398 3.165 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c1 578715 LDWZHJIDPXWSOX-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB CNC1=Nc2ccc(Cl)cc2[C@H](c2ccccc2)N(O)C1 2045117 YMPXMTJJHMOCFO-INIZCTEOSA-N 301.777 3.384 0 40 DGAB COc1ccccc1CNC(=O)COc1ccc(Cl)cc1 3606678 AZYYTLKIZPOYGC-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB Cc1ccccc1[C@H]1CC(=O)Oc2c1c(=O)n(C)c1ccccc21 4944163 NXNVKCUBDQQQHJ-OAHLLOKOSA-N 319.360 3.288 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](Sc1ncccc1C(=O)O)C2=O 6617289 KLGUXBXVONFYAQ-SIVJFFJCSA-N 305.399 3.266 0 40 DGAB COc1cccc(CN(C)C(=O)N[C@@H]2CCCC[C@H]2C)c1OC 32863288 BVJKTIOFESNBFT-UKRRQHHQSA-N 320.433 3.424 0 40 DGAB Sc1nc2ccccc2c2nc(CCc3ccccc3)nn12 32937949 XDBCUGXHSAMXLJ-UHFFFAOYSA-N 306.394 3.351 0 40 DGAB O=Cc1cn(CC(=O)N2CCc3ccccc3C2)c2ccccc12 555441 AYWZPQNFCBIXHR-UHFFFAOYSA-N 318.376 3.039 0 40 DGAB Cc1ccc(C)c(OC(=O)CCNC(=O)c2ccsc2)c1C 22396693 OZAWBFYBSWREAO-UHFFFAOYSA-N 317.410 3.399 0 40 DGAB Cc1cccc(OCCN(C)C(=O)Cc2noc3ccccc23)c1 25323012 ISQDFWKYRFMISE-UHFFFAOYSA-N 324.380 3.216 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)C1CCC(F)(F)CC1 179234162 WABVZTPUEVZSFO-UHFFFAOYSA-N 311.328 3.169 0 40 DGAB Cc1nc(CC(=O)NCc2cccc(C(F)(F)F)c2)cs1 25981852 BESPQCQSOZVATC-UHFFFAOYSA-N 314.332 3.329 0 40 DGAB CCc1ccc([C@@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 101027522 SAQLLPHQPVGHCQ-KRWDZBQOSA-N 303.369 3.292 0 40 DGAB O=C1N[C@@H](c2ccc(O)c(Br)c2)Nc2ccccc21 12533772 VNKVVKZDHIQVQO-ZDUSSCGKSA-N 319.158 3.009 0 40 DGAB CSc1ccc([C@H](C)NC(=O)/C=C/c2cnn(C)c2)cc1 27162380 XSZBZMPBUOFCQY-KFRNIWOLSA-N 301.415 3.033 0 40 DGAB Cn1cnnc1Sc1ccc(Cl)cc1NC(=O)C1CCC1 12568381 MVEZOZDXBAGSJD-UHFFFAOYSA-N 322.821 3.358 0 40 DGAB CC(C)(C)CC(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58208603 VVXMOIYHGCUHEQ-LBPRGKRZSA-N 303.324 3.291 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)[C@H]1CCCO1 27898379 YGMKDASNPLHXQG-MWLCHTKSSA-N 306.387 3.009 0 40 DGAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1ccccc1 58367548 HEAGNRZOLKDXBA-AWEZNQCLSA-N 309.287 3.169 0 40 DGAB CCCN(C(=O)CCS(C)(=O)=O)c1cccc2ccccc12 69176535 KBTYCFCZGGSPPT-UHFFFAOYSA-N 319.426 3.018 0 40 DGAB COc1cc(C=O)cc(Br)c1OCc1ccncc1 20284967 JJIOLSNDYBOKNT-UHFFFAOYSA-N 322.158 3.244 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(F)cc1Cl 70038143 PQYOOLLUASGLMH-DLBZAZTESA-N 324.827 3.454 0 40 DGAB COc1cccc(C(=O)Nc2cc(NC(C)=O)ccc2F)c1 12907796 MCZRVIUNADXMAO-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB c1ccc(CSCCNCc2c[nH]nc2-c2cccnc2)cc1 69387802 BMPABJCGUDPJDB-UHFFFAOYSA-N 324.453 3.495 0 40 DGAB CC(C)(C)N(Cc1ccccc1)C(=O)Cn1nnc2ccccc21 8325619 SBUVWQFUMLRQAA-UHFFFAOYSA-N 322.412 3.259 0 40 DGAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2oc(C)nc2C)cc1 175189808 NQMKFKFRVLBMES-HEHNFIMWSA-N 321.380 3.191 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1F 69517860 QQNFCDSWAJGMAD-AHCXZYCDSA-N 316.420 3.014 0 40 DGAB C[C@@H](Sc1nncs1)C(=O)N[C@H]1CCCc2ccccc21 5101211 RLSPRJHWYIOXSR-MFKMUULPSA-N 319.455 3.213 0 40 DGAB CCOc1ncccc1C(=O)N[C@H]1CCSc2ccccc21 5176859 OMWNSTUNOBWTDT-AWEZNQCLSA-N 314.410 3.447 0 40 DGAB CN1CCc2c(sc3c2C(O)=N[C@H](/C=C/c2ccco2)N3)C1 4349420 XGLVTTABPAVMKO-IHVVCDCBSA-N 315.398 3.099 0 40 DGAB O=C(NCCc1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1 13957094 FNGVIWAWPSSJDP-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB CCN(C(=O)Nc1ccccc1SCC(N)=O)[C@H](C)C(C)C 65408645 KAIWWCZDWBDGOF-GFCCVEGCSA-N 323.462 3.162 0 40 DGAB CCN(Cc1cccs1)Cn1nc(-c2cccs2)oc1=O 14021046 HKADNUNPJJUIOX-UHFFFAOYSA-N 321.427 3.106 0 40 DGAB O=C(c1cc(F)cc2[nH]cnc12)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924650 CYQPNSJDWHRNCD-KCXRBIIJSA-N 313.376 3.353 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 6787556 YWWOLPZOUCIVNW-WCQGTBRESA-N 317.355 3.466 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@H](C(F)(F)F)C1 9317878 NUAOPZVNEYTQMY-LBPRGKRZSA-N 323.318 3.491 0 40 DGAB Cc1ccc2oc(C(=O)N3CCCC[C@H]3Cn3cccn3)cc2n1 71865434 MZPQXVGHTYFGSA-AWEZNQCLSA-N 324.384 3.028 0 40 DGAB Fc1ccc(CNC2CCN(c3ccccn3)CC2)c(F)c1 78969115 NJJVHVQAGARHSQ-UHFFFAOYSA-N 303.356 3.118 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)c2scnc2C)o1 97147858 OUODTZVSSDZUSU-GFCCVEGCSA-N 306.387 3.168 0 40 DGAB COC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 84686268 SLYKMPWJJKSEAP-RYUDHWBXSA-N 305.378 3.375 0 40 DGAB C[C@H]1CN(CCCNCc2ccc3ccccc3c2)C[C@H](C)O1 84706304 YIJIIFAXJSPIFU-IRXDYDNUSA-N 312.457 3.429 0 40 DGAB Cc1cnc(NC(=O)NCCC(C)C)c(Br)c1 95446351 QUIAVISLIPAFDR-UHFFFAOYSA-N 300.200 3.320 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)cc1 95438289 OFOOOTHYRJNLEG-PXAZEXFGSA-N 309.365 3.184 0 40 DGAB CC(C)CCOc1cccc(NC(=O)c2cccc(=O)n2C)c1 95441103 BRIVUWZHAHDEQJ-UHFFFAOYSA-N 314.385 3.063 0 40 DGAB CC(C)c1sc(Cl)nc1C(=O)NCCc1nccs1 95480978 IEKXBPOLUJHGLX-UHFFFAOYSA-N 315.851 3.349 0 40 DGAB O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccc2[nH]cnc2c1 98014495 NKMNNGFVYGICLX-YJBOKZPZSA-N 321.380 3.071 0 40 DGAB Cc1cccc(CN[C@@H](C)C2(N3CCOCC3)CCCC2)c1 95941422 OLYRZGSTIQQTOX-KRWDZBQOSA-N 302.462 3.118 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NCCOCc1ccccc1 177071030 BTQVNFJUNUKFTA-UHFFFAOYSA-N 303.789 3.216 0 40 DGAB COc1ccc([C@H](C)NCCc2nc(C(C)C)no2)c(F)c1 89578770 LMELXKGZVUNVKL-NSHDSACASA-N 307.369 3.234 0 40 DGAB O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@H]1c1ccncc1 89564639 ACYKERMVAGSQRL-KRWDZBQOSA-N 323.396 3.385 0 40 DGAB CCCCCC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 75107363 VAXSVYPLRGAEBD-ROUUACIJSA-N 300.446 3.157 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1 27971736 LXAAIKHQECIKBR-GASCZTMLSA-N 313.401 3.038 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@@H](c1cccs1)N1CCCC1 32763392 LUXZEXMUWCMMAZ-KIUWMYQTSA-N 316.426 3.308 0 40 DGAB Cc1cc([C@@H](C)NCC(=O)N[C@H](C)c2cccs2)c(C)o1 183808061 ULELMASOQHJNJL-VXGBXAGGSA-N 306.431 3.486 0 40 DGAB C[C@]1(C(=O)O)CC(c2ccc(OCc3ccccc3)cc2)=NO1 71981012 ZWMKRMBBUSNTFX-GOSISDBHSA-N 311.337 3.233 0 40 DGAB CC(=O)c1ccc(F)c(F)c1OC[C@H](O)Cc1ccccc1 188194726 BTNUBUAVTKMXJH-CYBMUJFWSA-N 306.308 3.150 0 40 DGAB O=C(Nc1ccc(OCCN2CCCCC2)cc1)C(F)(F)F 225586587 HLRIEYNIUMLUPR-UHFFFAOYSA-N 316.323 3.052 0 40 DGAB CCNC(=S)Nc1nc(C)c(Br)cc1Cl 223866296 HBAKGXLCNQTUQP-UHFFFAOYSA-N 308.632 3.112 0 40 DGAB CCCO[C@@H]1CCCN(Cc2ccc(C(=O)O)c(F)c2)CC1 568883212 FOIZJHZWKVFPFR-CQSZACIVSA-N 309.381 3.305 0 40 DGAB CCc1noc(-c2cc(Cl)ccc2NC(=O)[C@@H]2CCCO2)n1 84577373 LHSHBQNOQIOGMS-LBPRGKRZSA-N 321.764 3.070 0 40 DGAB CCc1noc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 40714404 DPZLSOKSIMOUFU-NKSUMMKUSA-N 311.385 3.051 0 40 DGAB C[C@H](NC(=O)NCC[C@H](O)C(F)(F)F)c1cccc(Cl)c1 95399094 PWPCQUGURANXDV-KWQFWETISA-N 324.730 3.014 0 40 DGAB Cc1ccncc1CNC(=O)N[C@@H]1CCOc2c(C)cccc21 578415593 STHWXXSVSMWTNZ-MRXNPFEDSA-N 311.385 3.021 0 40 DGAB COc1ccc(N(Cc2ccco2)C(=O)[C@@H]2CCCO2)cc1F 96416786 HAYPQFYTCZSNAR-INIZCTEOSA-N 319.332 3.140 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1cccc(Cl)c1 96098632 LZGLYSMVDMRDIM-UHFFFAOYSA-N 319.796 3.457 0 40 DGAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)c1ccc(O)cc1F 97095341 OFAVHJIEWMPGOT-JTQLQIEISA-N 319.380 3.282 0 40 DGAB CC[C@H](C)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96063255 FZCHYRPQSNRAQW-KBXCAEBGSA-N 304.409 3.049 0 40 DGAB O=C1N(c2cccnc2)CC12CCN(CC1CCCCC1)CC2 96202962 RNGIHNZZQJAYKO-UHFFFAOYSA-N 313.445 3.091 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@@H](Cc2cccnc2)C1 257339879 ZDOGVXXEBNLGBQ-HNNXBMFYSA-N 300.427 3.167 0 40 DGAB CCS(=O)(=O)N(Cc1ccsc1)c1ccc(C(C)=O)cc1 585137098 ICCHLRBURHFOJY-UHFFFAOYSA-N 323.439 3.307 0 40 DGAB C[C@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1O 585140178 NSJARYOWCAPKSI-HTQZYQBOSA-N 304.173 3.453 0 40 DGAB CC(C)n1nccc1CN1Cc2nccn2C[C@H]1c1ccccc1 257264199 LTHQDRPIVGLGIT-SFHVURJKSA-N 321.428 3.418 0 40 DGAB CO[C@H]1CN(C(=O)c2ccncc2)CC[C@@H]1Cc1ccccc1C 585279961 UPIROEYDNRYWMD-MOPGFXCFSA-N 324.424 3.110 0 40 DGAB C[C@@H](NCc1cc2n(n1)CCCC2)c1ccccc1-n1cccn1 585090066 IQGWQPQENHLFKY-OAHLLOKOSA-N 321.428 3.256 0 40 DGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(F)cc1 69442715 XNBMKEOYSMTTLL-CYBMUJFWSA-N 321.417 3.422 0 40 DGAB C[C@H](NC[C@]1(O)CCc2ccccc21)c1ccccc1N(C)C 90779784 QKTAFNYVPHBCRC-MGPUTAFESA-N 310.441 3.237 0 40 DGAB Cc1ccc(CN[C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)nc1 97103490 BYQKRHHPTIUBMB-GJZGRUSLSA-N 319.449 3.316 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1cccc(Cl)c1 5086833 UEBAFBCQJSMLFB-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB C[C@H](CNC1CCCCC1)OC(=O)c1ccc(N(C)C)cc1 5929886 UKUMWZATPGKUFM-CQSZACIVSA-N 304.434 3.220 0 40 DGAB Cc1cc(-c2cnc(N3CCCCC3)nc2[C@@H]2CCCO2)on1 12142272 MIXKETYBILOGED-AWEZNQCLSA-N 314.389 3.282 0 40 DGAB CCOc1cccc(NC(=O)c2c(OC)cccc2OC)c1 13631802 YMCPBFWNQPOQFB-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1 13938138 GNUNXVUPIWEEJW-AWEZNQCLSA-N 319.426 3.433 0 40 DGAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(CCCc2ccccc2)CC1 19359855 RNNMSKIARPGIKI-QHAWAJNXSA-N 310.485 3.449 0 40 DGAB CC[C@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc(F)cc1 19500430 QOBMZEBTSGONKG-AWEZNQCLSA-N 324.359 3.492 0 40 DGAB O=C1CC[C@@H](C(=O)Nc2cccc(CSC3CCCC3)c2)N1 155218431 WUWFDQDIODIXOT-HNNXBMFYSA-N 318.442 3.080 0 40 DGAB CCC(CC)[C@@H]1C[C@H](NC2CCC3(CC2)OCCO3)CCO1 157892255 VAGDTCNDNJCNCF-SJORKVTESA-N 311.466 3.246 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)c1 3451434 XAKYSAMXGFGJAI-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB C[C@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1 12749975 MSNNPMLLEXKFLL-JTQLQIEISA-N 311.403 3.195 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1n[nH]c2ccccc12 12235265 YMHRDQJNCRXVOY-UHFFFAOYSA-N 301.733 3.477 0 40 DGAB COc1ccc(Nc2nc(N)cc(NCc3ccco3)n2)cc1 17887471 CUJHTQKLWSIELD-UHFFFAOYSA-N 311.345 3.016 0 40 DGAB CCN(CC)c1ccc(CNC(=O)c2cc(F)cc(F)c2)cn1 40118597 FATWCCWZENZTRX-UHFFFAOYSA-N 319.355 3.136 0 40 DGAB CCOc1ccc(N[C@H](C(N)=O)c2ccccc2)cc1OCC 40481492 JVZHSJABOTZNQY-KRWDZBQOSA-N 314.385 3.123 0 40 DGAB C[C@@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 40549778 VCZGUSCIAOBRAC-LLVKDONJSA-N 324.302 3.357 0 40 DGAB O=C(CCN1Cc2ccccc2C1)c1ccc2c(c1)OCCO2 286554 WUZBYWWJJUUVDJ-UHFFFAOYSA-N 309.365 3.046 0 40 DGAB aggregator COc1cccc(NC(=O)NCCCN(C)c2ccccc2)c1 11558049 XGGJIFKQYRTFKA-UHFFFAOYSA-N 313.401 3.343 0 40 DGAB Cc1nn(-c2ccccc2)nc1C(=O)NCCC1=CCCCC1 17334945 JVLXCJBSEODDFB-UHFFFAOYSA-N 310.401 3.196 0 40 DGAB Cc1nc2ccccc2c(=O)n1C[C@H](O)c1ccccc1Cl 51319325 PLXWBXGCOQOILD-INIZCTEOSA-N 314.772 3.092 0 40 DGAB Cc1ccccc1CC(=O)Nc1cc2c(cc1F)CCC(=O)N2 32047564 QSMXOBFKRAXBKI-UHFFFAOYSA-N 312.344 3.200 0 40 DGAB COC(=O)C1(Br)c2ccccc2-c2ccccc21 1676410 LPFNZUQDSQYWTN-UHFFFAOYSA-N 303.155 3.479 0 40 DGAB COc1ccc(-n2nc3c(c2NC(=O)C(C)C)CSC3)cc1 4077174 SIVOZAHMIKAPRY-UHFFFAOYSA-N 317.414 3.222 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1ccsc1 32727297 SCEFHXMMMYCXLD-UZYOAWRESA-N 315.394 3.060 0 40 DGAB CCONC(=O)c1nc(-c2ccc(F)cc2)n2c1CCCCC2 32826726 HDVMHSZVTFDPMC-UHFFFAOYSA-N 317.364 3.097 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N[C@H](C)[C@@H](C)CO 76081723 HBWPPZPHVURCSZ-GXTWGEPZSA-N 308.422 3.058 0 40 DGAB C[C@H](NC(=O)CN1CCc2cc(F)c(F)cc21)c1ccccc1 32935644 UIKJQRUFCGQHEJ-LBPRGKRZSA-N 316.351 3.205 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C1=O 100397576 CXJSEJWMMXJMDC-NWOLRWQLSA-N 313.784 3.206 0 40 DGAB CSc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1 12039092 CBFSGQQCWIOYQL-UHFFFAOYSA-N 318.398 3.150 0 40 DGAB Cc1ccsc1CNC(=O)N1CCc2ccc(O)cc2C1 46987449 OOLOEFPZPDEJSH-UHFFFAOYSA-N 302.399 3.030 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)NCc2sccc2C)on1 46987484 WDSPQQYLHSTNET-GFCCVEGCSA-N 305.403 3.400 0 40 DGAB COCCNC(=O)Nc1ccc(N2CCc3ccccc32)cc1 47788531 MPXQMVXMUIZGTH-UHFFFAOYSA-N 311.385 3.149 0 40 DGAB C[C@H]1CCCCN1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213714 CJWMPMQBXURRSF-CWLGOENISA-N 309.494 3.453 0 40 DGAB COCC(=O)Nc1ccc(C(=O)Nc2ccccc2Cl)cc1 1006563 JGYASACVAKFZQY-UHFFFAOYSA-N 318.760 3.177 0 40 DGAB C[C@@H](NC(=O)CN1CCC[C@H]1c1ccsc1)c1ccco1 106075144 SFMSFFXHUCBFQF-OCCSQVGLSA-N 304.415 3.355 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccccn1 43231360 NKPHZMLGRNOKQE-CYBMUJFWSA-N 316.430 3.102 0 40 DGAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)cc1 1320289 XQFBEZLQGKXWJU-HXUWFJFHSA-N 323.392 3.360 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1cnn(Cc2ccccc2)c1 25768740 KDJPNUGVHGROIQ-UHFFFAOYSA-N 324.409 3.129 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1c(F)cccc1F 89894944 LBCNIQZRVWXBOT-YVEFUNNKSA-N 319.351 3.136 0 40 DGAB CCc1nnc(NC(=O)CSc2ccc(F)cc2F)s1 12686190 UEVDSKKKSOZKST-UHFFFAOYSA-N 315.370 3.110 0 40 DGAB CN(Cc1ccccc1)C(=O)NCc1cnn(-c2ccccc2)c1 58066894 XYZKEWJCTVLXLT-UHFFFAOYSA-N 320.396 3.214 0 40 DGAB NC(=O)[C@@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 27660708 UKHYFCQHCPJXEW-HNNXBMFYSA-N 309.394 3.395 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@H](C)c1cc(C)sc1C)CN2 58294450 WKLBANUMSNLCHV-OCCSQVGLSA-N 304.463 3.262 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]2CCCC[C@@H]21 58330786 VCMMXBRKCAIZTI-HOCLYGCPSA-N 310.401 3.062 0 40 DGAB O=C(NCc1cccs1)NCc1nc2ccccc2s1 36398506 RYLLVYIPDSVYEM-UHFFFAOYSA-N 303.412 3.357 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1 3489913 FXAUWCVRHNKWIX-CQSZACIVSA-N 311.381 3.283 0 40 DGAB O=C(COc1c(F)c(F)cc(F)c1F)NC1CCCCC1 3438663 WBPZZBMCHBNOBJ-UHFFFAOYSA-N 305.271 3.071 0 40 DGAB Cc1ccc(CNC(=O)COC(=O)c2ccc(Cl)cc2)cc1 3512156 NWTBUJROHQZVNB-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB CN(C)c1ccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 3571395 GCOSGAQZYALBPE-UHFFFAOYSA-N 322.364 3.274 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)c1 13020956 KSXFZCMSTBPQKN-MRXNPFEDSA-N 318.442 3.168 0 40 DGAB c1csc(-c2nc(CN3CCCN(C4CC4)CC3)co2)c1 69776381 PKLIDQJQNIBRHW-UHFFFAOYSA-N 303.431 3.073 0 40 DGAB COc1ccc2nc(C(=O)N(CC(F)F)C3CC3)ccc2c1 78550671 NVGWQNXYFNGTFO-UHFFFAOYSA-N 306.312 3.113 0 40 DGAB COc1ccc(Br)cc1NC(=O)c1cccc(N)c1 49562766 PFCUOFGNCHUGLX-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cn1cc(CC(=O)Nc2nc3c(s2)CCC3)c2ccccc21 65489292 QRRGTYONYTXYHN-UHFFFAOYSA-N 311.410 3.305 0 40 DGAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)NC1CCCCC1 14116242 NVRCTHOGPBBSRU-UHFFFAOYSA-N 322.459 3.118 0 40 DGAB Cc1occc1C(=O)Nc1cccc(Cl)c1N1CCOCC1 14126761 OCXCEGGXWYVNFC-UHFFFAOYSA-N 320.776 3.330 0 40 DGAB CCCc1nnc(NC(=O)c2cccc(NC(=O)CC)c2)s1 4731907 RLTORDXAPNQZQO-UHFFFAOYSA-N 318.402 3.091 0 40 DGAB COc1ccc(F)cc1NC(=O)c1ncccc1OC(C)C 92872497 JIYSTVONBPLQAS-UHFFFAOYSA-N 304.321 3.269 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2ccc(F)cc2)c1C 7514878 KYRFLWSPAKOZBU-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB Cc1ccc2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cc(=O)n2c1 7587590 IJWLSHRONAPGEC-RDJZCZTQSA-N 311.429 3.158 0 40 DGAB COc1ccc2cc(C(=O)NCCCN3CCCC3)ccc2c1 9390051 LHWFLSKBXCLRHO-UHFFFAOYSA-N 312.413 3.064 0 40 DGAB CCN(CC(C)(C)O)C(=O)Nc1cccc(N(C)C(C)C)c1 83567858 QOFDBFPQKIDLKI-UHFFFAOYSA-N 307.438 3.156 0 40 DGAB O=C(COc1ccc2ccccc2c1)Nc1ccc2nn[nH]c2c1 79021369 FKIOLEWQECJHMX-UHFFFAOYSA-N 318.336 3.129 0 40 DGAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 21915503 WKBKYAJCKDSFJM-INIZCTEOSA-N 324.380 3.056 0 40 DGAB NC(=O)c1ccc(Cl)c(NC(=O)CCc2ccc(F)cc2)c1 71890902 DZZHKWNDRJNVMJ-UHFFFAOYSA-N 320.751 3.149 0 40 DGAB O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCOC1 71921745 MRGAQFQKMJSOIJ-MWLCHTKSSA-N 307.699 3.096 0 40 DGAB OCc1ccccc1NC1CCN(Cc2cccc(F)c2)CC1 97045785 HOXZVLYPNGJGLD-UHFFFAOYSA-N 314.404 3.395 0 40 DGAB COCc1ccc(CNc2ccccc2N2CCCC2=O)o1 97035166 GVANRVIXVKALSE-UHFFFAOYSA-N 300.358 3.165 0 40 DGAB CC(C)(C)c1cc(NC(=O)C2CCOCC2)n(C(C)(C)C)n1 84241119 BKCGGYMPDXQPLT-UHFFFAOYSA-N 307.438 3.301 0 40 DGAB O=C(NCCC[C@H]1CCCCO1)N[C@H]1CCc2ccccc21 97137942 MWIUEGSBKMSHQE-WBVHZDCISA-N 302.418 3.322 0 40 DGAB CC(C)(Cc1cccc(Cl)c1)C(=O)N1CCc2[nH]ncc2C1 84370322 UAJTUZHIACHFKC-UHFFFAOYSA-N 317.820 3.217 0 40 DGAB CCn1c(NCc2cc(C(N)=O)cs2)nc2cc(C)ccc21 97377969 GHAALTHSPDEUCL-UHFFFAOYSA-N 314.414 3.137 0 40 DGAB O=C(NO[C@@H]1CCCCO1)c1csc(-c2cccs2)n1 84444981 YDNFVOABEFBHAH-LLVKDONJSA-N 310.400 3.060 0 40 DGAB O=C(CCSCc1ccccn1)Nc1cc(F)ccc1O 95443646 APPUZDKHYDKNIO-UHFFFAOYSA-N 306.362 3.188 0 40 DGAB Cc1ccc(CCC(=O)N[C@H](C)C[C@@H](O)c2ccccc2)o1 89652899 PWELAQKTKCJXGY-CXAGYDPISA-N 301.386 3.149 0 40 DGAB C[C@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](O)[C@@H]4O)[C@@H]3CC[C@@H]2CC1=O 118923396 AOBJJIQCLHDHTP-SZJIUBTOSA-N 320.473 3.176 0 40 DGAB O=C1CSc2ccccc2N1C(=S)NC1CCCCC1 28527558 BVCGQGOUCYZCNT-UHFFFAOYSA-N 306.456 3.333 0 40 DGAB c1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccco4)C[C@H]2C3)cc1 306125083 CGJWHTIQXRFTRA-SJORKVTESA-N 319.408 3.447 0 40 DGAB CCCCN1CCC[C@@H]1c1ccc(N2CCOCC2)nc1C 72219630 GWOGISRNKAHWHJ-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB CCN(CC)CCNc1ncnc2c1oc1nc(C)c(C)cc12 71283340 AOGIDRYBYPZVME-UHFFFAOYSA-N 313.405 3.142 0 40 DGAB Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3ccccc32)c1 225718369 INQNUABJHYLRFJ-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB Cc1ccc(CS(=O)(=O)NCCSC2CCCC2)cc1 224442755 XWWJDDAFKVDQTA-UHFFFAOYSA-N 313.488 3.090 0 40 DGAB Cc1cc(NC(=O)COc2cccc3c2OC(C)(C)C3)sn1 42383243 SFMYRCFFDAJDKI-UHFFFAOYSA-N 318.398 3.183 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2ccc(OC)c(C)c2)cc1 224380875 FSCIPYHOJHETEO-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1ccccc1 42646529 CHVMNHQNWCZACF-UHFFFAOYSA-N 310.397 3.239 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2ccco2)cc1C 44444018 UNPOYUXSQPAKFZ-CQSZACIVSA-N 307.415 3.114 0 40 DGAB Cc1cccc2cc(C(=O)NCCc3ccccc3)c(=O)oc12 226034270 QSZHVNUAUUNTRG-UHFFFAOYSA-N 307.349 3.074 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 43953211 KBNJWDFQPOTSPV-IUODEOHRSA-N 324.446 3.180 0 40 DGAB C[C@@H]1CN(Cc2cnc(-c3ccccn3)s2)C(C)(C)CO1 195563311 KVUDYPYOAOQZKO-GFCCVEGCSA-N 303.431 3.204 0 40 DGAB CCOC[C@H]1CN(Cc2ccoc2)Cc2cn(CC3CC3)nc21 96059957 CVBAPSGIFMHAKM-QGZVFWFLSA-N 315.417 3.022 0 40 DGAB Cc1nc(C(=O)N=c2[nH]cc[nH]2)c(-c2ccccc2Cl)s1 95478090 HEKDDNIMNTWTMS-UHFFFAOYSA-N 318.789 3.169 0 40 DGAB Cc1cnc(CCNC(=O)Nc2ccc3c(c2)CCCO3)s1 96434467 NTYZGPCIAJTFLE-UHFFFAOYSA-N 317.414 3.141 0 40 DGAB CC(C)n1cc([C@H](C)NC(=O)N2CCC[C@H]2C2CCC2)cn1 96405752 CXYDYDJPJLUMON-BBRMVZONSA-N 304.438 3.499 0 40 DGAB CCCOc1cccc(NC(=O)NCCc2cscn2)c1 96481584 BEOGSXHTSIDHAU-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445194 YKCNINQQLKNUEM-NSHDSACASA-N 320.389 3.490 0 40 DGAB Cc1cc(N(C)C)cc([C@H]2CCN(Cc3scnc3C)C2)n1 257299632 RQWIMAYSBUVTQB-AWEZNQCLSA-N 316.474 3.210 0 40 DGAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)c1cc2ccccc2[nH]1 257258757 KVKCHHOLXGGEIH-XBQLCILLSA-N 323.440 3.303 0 40 DGAB COc1ncccc1-c1csc(NCCc2ccccn2)n1 252484076 FNOKPNTWJFYGCN-UHFFFAOYSA-N 312.398 3.263 0 40 DGAB CC(C)N1CCC(c2ccnc(Nc3cc(F)ccn3)n2)CC1 257255891 KJIBPVUMXHJLLA-UHFFFAOYSA-N 315.396 3.342 0 40 DGAB C[C@H]1c2ccc(F)cc2C[C@@H](C)N1C(=O)c1cc(C(=O)O)co1 262809471 PAMFJRPVOOTGCO-ZJUUUORDSA-N 317.316 3.265 0 40 DGAB Cn1ccc([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 390830197 JKEZZIHHLNZKCS-SNVBAGLBSA-N 309.822 3.155 0 40 DGAB O=C(Nc1cc([C@@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1ccc(F)c(O)c1 1544383193 QIDZRWLRZVFPLE-JBLDHEPKSA-N 315.348 3.410 0 40 DGAB Cc1nsc(N2CCN(c3cc(Cl)ccc3C)CC2)n1 301357518 MRMDIHQYVQDAQS-UHFFFAOYSA-N 308.838 3.135 0 40 DGAB Cc1ccccc1NC(=O)N1CCCN([C@@H]2CCSC2)CC1 1565522579 KUPFMNNWNSKNKI-OAHLLOKOSA-N 319.474 3.040 0 40 DGAB Cc1ccccc1C1(O)CCN(C[C@H](O)c2ccccc2)CC1 12292079 MXOQEFMVFKNUBL-IBGZPJMESA-N 311.425 3.012 0 40 DGAB CCc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c1 12566077 UJMXFARRNANJTR-UHFFFAOYSA-N 322.364 3.431 0 40 DGAB CCCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 13748608 TXUDFZMXPWMVMX-UHFFFAOYSA-N 319.474 3.399 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC(=S)NCc1ccccc1 14001985 UMCJLJATSIMVGZ-UHFFFAOYSA-N 318.829 3.073 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)c(OC)c1 14255313 CKVPHKFZTXYNJV-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB COC(=O)c1sccc1NC(=O)C(Cl)=C(Cl)Cl 159469 NXTHHNYKGPPHMY-UHFFFAOYSA-N 314.577 3.359 0 40 DGAB CCCC(=O)N1CCN(c2nc3cc(C)cc(C)c3s2)CC1 5182225 JHYLHGPGANRBCD-UHFFFAOYSA-N 317.458 3.362 0 40 DGAB Cc1sc2ncnc(SCC(=O)Nc3ccon3)c2c1C 10340314 APCZRSXPZFOWAQ-UHFFFAOYSA-N 320.399 3.027 0 40 DGAB Cc1cccc(CS(=O)(=O)NCC2(c3ccsc3)CC2)c1 1888930343 KRIFSODUNKRYSX-UHFFFAOYSA-N 321.467 3.208 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc(Cl)c(C)c2)cc1 28119126 TXRJUNMTKZWIMA-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCn2c1nc1ccccc12 30650945 PMKRPPAVDVKNHF-UHFFFAOYSA-N 313.744 3.056 0 40 DGAB Cc1nc(C(=O)N[C@H](C)c2ccc(Br)cc2)co1 22538509 MIRLIISZERXILD-MRVPVSSYSA-N 309.163 3.237 0 40 DGAB CSc1ccc(C(=O)Nc2nnc(-c3ccco3)o2)cc1 4517668 CIVWUCUCHXNUMZ-UHFFFAOYSA-N 301.327 3.304 0 40 DGAB Cc1ccc(Cc2nnc(Nc3ccc(C)c(C)c3)[nH]c2=O)cc1 5154402 PJFBWQOEAQPMLO-UHFFFAOYSA-N 320.396 3.425 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1 17307472 XZHLLHHZPFWYFX-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB CC(C)(C)c1ccc(N2CCC(Oc3nccs3)CC2)nn1 2086884338 DOKSQAHUKSGBKZ-UHFFFAOYSA-N 318.446 3.278 0 40 DGAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@H]2CC[C@H]1COC2 101328527 NUOMDSVNHKCFJG-HOTGVXAUSA-N 309.365 3.482 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1cc2ccccc2c(=O)[nH]1 30014330 FSYJPLFQEZRPLA-NSHDSACASA-N 324.405 3.349 0 40 DGAB CCOC(=O)Cc1c(C)nc2c(-c3ccccc3)c(C)nn2c1C 54165 UZVXLARVEUPDER-UHFFFAOYSA-N 323.396 3.427 0 40 DGAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc3ccccc23)NC(=O)N1 126807 GQALHZASNRSVHL-KRWDZBQOSA-N 324.380 3.419 0 40 DGAB C[C@@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 197719 KPLHLZRTFOXTCQ-NFQUHZNNSA-N 319.360 3.063 0 40 DGAB O=C(NCc1ccccc1F)[C@@H]1COc2ccc(Cl)cc2C1 7960905 QZUDVXPLOYBDMM-ZDUSSCGKSA-N 319.763 3.347 0 40 DGAB O=c1onc(-c2ccc(Cl)cc2)n1Cc1ccc(F)cc1 1332596 GVVZHVJENLNQQA-UHFFFAOYSA-N 304.708 3.344 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 3057464 NPXCLVIWZHBKKF-GJZGRUSLSA-N 304.434 3.196 0 40 DGAB O=C(CNCc1cccs1)Nc1ccc(N2CCCC2)cc1 4896258 SEOVCBIORJLBQJ-UHFFFAOYSA-N 315.442 3.077 0 40 DGAB COc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)c(OC)c1 7000159 OPWOIZUCZQVSKE-JTQLQIEISA-N 316.357 3.069 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2C=O)CC1 52507731 QYUKBCDPNJYYKP-UHFFFAOYSA-N 324.808 3.210 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1 55651237 TYLVKGWOQRCWMF-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CCOc2ccccc21 89873000 VBZVWTUQQKBJHQ-KRWDZBQOSA-N 320.392 3.393 0 40 DGAB Cc1ccc2cccc(NC(=O)[C@@H]3COc4ccccc4O3)c2n1 11917467 GRQWNPLISXGMSN-KRWDZBQOSA-N 320.348 3.322 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2ccccc2OC2CCCC2)cn1 46666471 NUSGKUIVNSXHOJ-ZHACJKMWSA-N 311.385 3.393 0 40 DGAB Cc1ccc(C)c(N2CCN(C(=S)NC3CCCC3)CC2)c1 9877039 NQKDIZROQXVQKI-UHFFFAOYSA-N 317.502 3.243 0 40 DGAB C[C@@H](NC[C@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 89904607 ZPWCXLWSOJOUBP-KDOFPFPSSA-N 301.409 3.044 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 20490513 WQUKMQBFTZYXKB-HNNXBMFYSA-N 303.427 3.484 0 40 DGAB CCc1c(C)sc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C(N)=O 102196903 DCHRNKYJQVKAOZ-CKYFFXLPSA-N 306.431 3.093 0 40 DGAB Cc1cccc(Nc2nn3c(=O)c4ccccc4nc3s2)c1 2971384 LCVNTDGCWYGYIW-UHFFFAOYSA-N 308.366 3.356 0 40 DGAB O=C(CSc1nc2ncccc2[nH]1)Nc1cccc(Cl)c1 794823 OWJAZBGLVRCUHC-UHFFFAOYSA-N 318.789 3.342 0 40 DGAB Cc1cccc(OCCCNC(=O)c2cccc(N(C)C)c2)c1 12397595 ZPBIBFIVIVLMEB-UHFFFAOYSA-N 312.413 3.260 0 40 DGAB CSc1cccc(NC(=O)NCCCn2ccnc2C)c1 47324641 DYCVZYCTXIAGJW-UHFFFAOYSA-N 304.419 3.125 0 40 DGAB Fc1ccc(-c2nn3c(-c4ccccn4)nnc3s2)cc1F 61721638 VMEZXOZREVUEID-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB Cc1occc1C(=O)N1CCN(Cc2ccc(Cl)s2)CC1 23791867 YQFNRBNOHKMQLN-UHFFFAOYSA-N 324.833 3.261 0 40 DGAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCc2sccc2C1 34871969 CWHRBQXRGKDKLS-QGZVFWFLSA-N 312.438 3.126 0 40 DGAB COc1ccc(CN[C@H](C(=O)NC(C)C)c2ccccc2)cc1 56142983 STCDMCQDAQUXBO-SFHVURJKSA-N 312.413 3.051 0 40 DGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1cccnc1 24535708 FVJFTCWJNODJST-QGZVFWFLSA-N 310.401 3.040 0 40 DGAB CC[C@@H](c1ccccc1)N(CC(=O)OC)Cc1nc(C)c(C)o1 89947884 HPHGRDNWRDOJPB-INIZCTEOSA-N 316.401 3.418 0 40 DGAB CCC(=O)CSc1nnc(Nc2ccc(OC)cc2)s1 58292801 DOBDVMFZGPWNDW-UHFFFAOYSA-N 309.416 3.362 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12 12808186 CXDXVTWMXHLOOZ-GFCCVEGCSA-N 322.364 3.028 0 40 DGAB CC(=O)c1ccc(NC(=O)COc2ccc3c(c2)CCC3)cc1 3494353 VPPRLFGGNVCWRH-UHFFFAOYSA-N 309.365 3.395 0 40 DGAB CCc1ccccc1NC(=O)[C@H](C)n1cc(Br)cn1 28223923 SBLYAEWRMSQZNT-JTQLQIEISA-N 322.206 3.408 0 40 DGAB O=S(=O)(Cc1ccccc1)NC12CC3CC(CC(C3)C1)C2 13938737 FDZCKYGKUSFWCD-UHFFFAOYSA-N 305.443 3.075 0 40 DGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1 6316069 NZLMMMKVJOPTQA-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 4484410 AEFDOSXKBNPNIU-SJKOYZFVSA-N 313.353 3.252 0 40 DGAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@@H](C)c2ccccc2)n1 65565171 UNTGZGCJEIDDIS-AWEZNQCLSA-N 320.396 3.131 0 40 DGAB COc1ccc(NC(=O)Cc2c(C)nc3ccccc3c2C)cn1 17296463 KGZHXHRCZFWDPW-UHFFFAOYSA-N 321.380 3.436 0 40 DGAB Cc1ccccc1C(=O)NCC1CCN(Cc2ccco2)CC1 23127999 KCPVOUOUHYPPRU-UHFFFAOYSA-N 312.413 3.230 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1cccc(O)c1 8752514 DBOWURPRJWVCHT-CYBMUJFWSA-N 313.353 3.193 0 40 DGAB COc1ccc2c(CC(=O)OCC(=O)C(C)(C)C)coc2c1 7007579 MKOIORILSBDHPZ-UHFFFAOYSA-N 304.342 3.142 0 40 DGAB O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 80564060 RLNXZQDLADYTMR-INIZCTEOSA-N 306.406 3.303 0 40 DGAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccco1)C2=O 19320329 BVNYKTJDLUKFMR-UHFFFAOYSA-N 302.418 3.065 0 40 DGAB COc1ccc(-c2oc3c(C)cccc3c(=O)c2O)cc1OC 72194121 JAYFWMSEDRTNCG-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB in-vitro CC1=CC[C@@H]2CN(C(=O)c3ccc(-n4cccn4)cc3)C[C@@H]2C1 71762913 LAYDSZNLCFPGIQ-SJORKVTESA-N 307.397 3.301 0 40 DGAB CC(C)Sc1ccc(Cl)cc1NC(=O)[C@H]1COCCO1 71847622 YAPAKWIVBYMCTO-GFCCVEGCSA-N 315.822 3.194 0 40 DGAB CS[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 71915331 QZBUGIORULXYAW-ZMSDIMECSA-N 320.502 3.249 0 40 DGAB OC[C@@H]1CCCN(Cc2c(Cl)cccc2N2CCCC2)C1 97033778 QAYOGBXWODPTKW-CQSZACIVSA-N 308.853 3.145 0 40 DGAB COc1ccc([C@@H](C)Nc2ccc(C)c(C(N)=O)c2)c(OC)c1 97232134 ICQNUWWQHAHIQP-GFCCVEGCSA-N 314.385 3.284 0 40 DGAB Cc1nc(CNC(=O)Nc2cc(C(C)(C)C)on2)sc1C 78937031 QRPILTSOWMCRSI-UHFFFAOYSA-N 308.407 3.367 0 40 DGAB C[C@](O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccs1 79000626 UJBDDQHAFCIYNV-LBPRGKRZSA-N 319.213 3.021 0 40 DGAB Cc1cc(Cl)cc(C)c1CNCC1(N(C)C)CCOCC1 95975527 SDYICKAEBSQJFI-UHFFFAOYSA-N 310.869 3.157 0 40 DGAB CCOc1ccc(CNC(=O)c2ccc3[nH]ncc3c2)cc1C 95963040 JFJXQHSEWQEBSC-UHFFFAOYSA-N 309.369 3.200 0 40 DGAB CCOC(=O)CSc1nc(C)cc(-c2ccc(C)cc2)n1 409385522 MVLSUSNAUWOTRV-UHFFFAOYSA-N 302.399 3.416 0 40 DGAB O=C(Nc1cnn(-c2ccccn2)c1)N1CCC[C@H]2CCC[C@@H]21 86298667 PICMBAOMIRWSJZ-HIFRSBDPSA-N 311.389 3.064 0 40 DGAB Cc1[nH]nc(NC(=O)[C@H]2CCCCO2)c1-c1ccc(F)cc1 530275393 BAWWMLOCLFCNSK-CYBMUJFWSA-N 303.337 3.032 0 40 DGAB Cc1ccc(C)c(N2C(=O)N(C)c3ccccc3S2(=O)=O)c1 6918430 YGLRZRYVXBPBKT-UHFFFAOYSA-N 316.382 3.069 0 40 DGAB c1ccc(-c2nccc(N3CCC[C@@H](c4ncc[nH]4)C3)n2)cc1 78445512 PGKNBOSRKJJHNA-OAHLLOKOSA-N 305.385 3.251 0 40 DGAB CC(C)CNC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579097 OMFNBPFMIHQNEE-UHFFFAOYSA-N 317.389 3.011 0 40 DGAB CCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1C(=O)OC 225816260 IFGZBUVAXPJCFF-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB O=S(=O)(N[C@H]1CCc2cc(Cl)ccc21)c1cccs1 49336136 JPQAEDGFXBGEKU-LBPRGKRZSA-N 313.831 3.367 0 40 DGAB CCNC(=O)Nc1nc2c(Br)cccc2s1 42381225 RCYKCJOQVNZAJM-UHFFFAOYSA-N 300.181 3.200 0 40 DGAB S=C(NCCOc1ccccc1Cl)Nc1cccnc1 225780960 PRFQQRPRXVRANV-UHFFFAOYSA-N 307.806 3.100 0 40 DGAB COc1ccc(CNC(=O)c2ccc3ccn(C)c3c2)cc1OC 40283092 IHHSLCPMIVASCL-UHFFFAOYSA-N 324.380 3.126 0 40 DGAB O=c1[nH]c(-c2cccc(Br)c2)nc2ccccc12 48622857 INWHPBGNSUYRME-UHFFFAOYSA-N 301.143 3.353 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 47173832 PBVUTDXKFBUHJR-MLGOLLRUSA-N 308.385 3.475 0 40 DGAB CC[C@H](c1ccc(F)cc1)[S@](=O)c1nnc(C2CC2)n1C 83076744 AJUDMYDSJYJLDE-LRTDBIEQSA-N 307.394 3.091 0 40 DGAB COC(=O)c1cn(C(=O)NC2CCCCC2)c2ccccc12 222654261 PTCCKBXELMTVMS-UHFFFAOYSA-N 300.358 3.318 0 40 DGAB Cc1ccc(C[C@H](NC(=O)C2=COCCC2)c2ccccn2)cc1 95397554 RGFLHDYANXEGAY-IBGZPJMESA-N 322.408 3.484 0 40 DGAB Cn1nccc1NCc1ccc(Br)c2cccnc12 96496329 OIFDBENVRDXLAB-UHFFFAOYSA-N 317.190 3.343 0 40 DGAB CC[C@@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96519462 ILVSTMBVXONYCK-IRXDYDNUSA-N 304.411 3.210 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)CC1 248159564 KKNUIEMOCVUUHO-QQFBHYJXSA-N 322.493 3.355 0 40 DGAB COC(OC)[C@@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 585085766 UCWHHAJYJQDTBG-HNNXBMFYSA-N 315.369 3.247 0 40 DGAB CS[C@@H]1CC[C@@H](N[C@H](C)CC(=O)N(C)c2ccccc2)C1 253371016 ZMYPPYZYMBRJPI-IIAWOOMASA-N 306.475 3.302 0 40 DGAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)n1 257257768 KQZLZFSTUPIZHK-GFCCVEGCSA-N 324.359 3.035 0 40 DGAB COc1cccc(CN2CCC[C@@H]2c2nc(C)cn2C)c1F 257234761 GUYMNGUJRZNJOG-CQSZACIVSA-N 303.381 3.213 0 40 DGAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)COc1ccccc1O 95430584 VECDXRJQDKNOEX-GFCCVEGCSA-N 315.344 3.056 0 40 DGAB C[C@@H](CCS(C)(=O)=O)N[C@H](C)c1cc2ccccc2s1 188158142 ZMBNVSAEEDDTAS-NWDGAFQWSA-N 311.472 3.375 0 40 DGAB CC[C@H]1CN(C(=O)Nc2cccc(OC)c2)CC[C@H]1CC(=O)O 5414334 IFXCHEYBGFHSKR-STQMWFEESA-N 320.389 3.050 0 40 DGAB biogenic,in-vitro CC[C@@H](CC(=O)N[C@H]1CCCOC1)c1c[nH]c2ccccc12 12194481 QFRKNHBHUSLQMX-KBPBESRZSA-N 300.402 3.347 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1cccc(NC(=O)CC(C)C)c1 14404652 WRIHMYRLUZSHBH-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB CCOC(=O)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1 164365 CJMBMQDRRCGPOG-UHFFFAOYSA-N 313.144 3.099 0 40 DGAB O=c1c2oc3ccccc3c2ncn1CCOc1ccccc1 5797371 HLEUFUFHPIYNKH-UHFFFAOYSA-N 306.321 3.222 0 40 DGAB CO[C@H](CCSC)CNC(=O)C12CC3CC(CC(C3)C1)C2 1888904145 ASORCEMYYWKNAG-UZZMVUAXSA-N 311.491 3.087 0 40 DGAB c1cc2c(NCc3ccc(-c4ccoc4)nc3)ncnc2cn1 2087154194 ZHZNWJCJEHSLKM-UHFFFAOYSA-N 303.325 3.292 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1COC2(CCCCC2)O1 4941169 YOUSEQMFYMGWEB-HNNXBMFYSA-N 323.820 3.075 0 40 DGAB CC[C@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1 24906528 ZGJRXZJSTLYTRV-INIZCTEOSA-N 306.369 3.400 0 40 DGAB O=C(NCC1(c2ccsc2)CCCC1)NC1CCOCC1 225556497 VZXUGSVNLXFCER-UHFFFAOYSA-N 308.447 3.038 0 40 DGAB COc1ccc([C@@H]2CCCCCN2CCN2CCCC2=O)cc1 32916351 RCDNUXRKGFSYMB-SFHVURJKSA-N 316.445 3.235 0 40 DGAB Cc1cc(C(=O)NC2=NCCS2)c(C)n1C1CCCCC1 73092257 BJKFGOFIMKYJCB-UHFFFAOYSA-N 305.447 3.443 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(ccn3C)c2)c1 40286329 JYBIFLHJEYYQEC-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB COc1cc(N)ccc1NC(=O)c1ccc(Br)cc1 20343290 HYNQQEGBYKBOSG-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(C(=O)Nc2ccc(Br)c(C)n2)cc1 515026 STBBBVHVEQTGIG-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB Cc1ccnc(SCC(=O)Nc2ccc(F)c(Cl)c2)n1 620465 FGYBVDRASFKGPB-UHFFFAOYSA-N 311.769 3.308 0 40 DGAB CCOc1ccc(-c2nnn(Cc3ccccc3Cl)n2)cc1 919947 HXUKJSIMNKULOQ-UHFFFAOYSA-N 314.776 3.441 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1F 29571043 QVDIGJLUDHHZSN-AWEZNQCLSA-N 322.380 3.472 0 40 DGAB O=C(NC1CCCC1)c1ccc(C(=O)NC2CCCC2)cc1 1702742 QBJIQCVBXZDRSG-UHFFFAOYSA-N 300.402 3.031 0 40 DGAB COc1cc(N[C@@H](C)CCCN(C)C)c2ncccc2c1OC 2046446 GZBXZZJSARMYPE-ZDUSSCGKSA-N 317.433 3.394 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)cc1C 3424921 YZMPFEPBTKRBAW-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C)c1ccccc1 4011821 DJKAHODAMHQADM-IAISJRAMSA-N 303.402 3.391 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 4015927 XHCQPQMOYOZWIE-OZVVPTBGSA-N 308.164 3.305 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 364638 AQDAYZSIDFEBHM-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H]1c1cccs1 8076168 DFWIXVPKYBQUCD-WFASDCNBSA-N 315.394 3.252 0 40 DGAB O=C(COc1ccccc1Cl)Nc1onc2c1CCCC2 11915005 UMCBFCMNMQGPEU-UHFFFAOYSA-N 306.749 3.224 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3cccc(F)c3)no2)cn1 32922772 MBWXWAFDIFGVAT-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB C[C@@H]1[C@@H](NC(=O)CSc2nccn2C2CC2)CCC[C@H]1C 103437449 DPVVSBKFYWLVNR-DYEKYZERSA-N 307.463 3.251 0 40 DGAB CCCCc1ccc(C(=O)N2CCC(C(=O)OCC)CC2)cc1 53566283 SSTYJBRTGNVXQT-UHFFFAOYSA-N 317.429 3.445 0 40 DGAB O=C1COc2cc(C(=O)Nc3ccc(F)cc3Cl)ccc2N1 22595376 FPNVTDUTQJMSDK-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB O=C(C[C@@H]1CSc2ccccc2NC1=O)Nc1ccccc1 984119 JQROSJPTTJLFDJ-GFCCVEGCSA-N 312.394 3.376 0 40 DGAB CCCN(CCC)S(=O)(=O)c1ccc(Br)cc1 3172742 ZFZALRHJCZCYRJ-UHFFFAOYSA-N 320.252 3.260 0 40 DGAB Cc1ccc(OCCNC(=O)CSCc2ccccc2)cc1 59372483 SPVJSGUARYBQBH-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB C[C@H](CNC(=O)c1cc2ccccc2s1)CN1CCCC1 55539306 JDSNUNMIWRDIKY-CYBMUJFWSA-N 302.443 3.363 0 40 DGAB Cc1ccc(-c2ncc(C(=O)Nc3nccs3)c(C)n2)cc1 1401204 KMDRGXIKALBUJS-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB O=C(N1CCC[C@H](c2ccn[nH]2)C1)C12CC3CC(CC(C3)C1)C2 89884741 WOUDUFCFALWLDL-DZPQGLOJSA-N 313.445 3.332 0 40 DGAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccccn2)no1 96001237 RZORQVBXDAPWIA-AWEZNQCLSA-N 314.389 3.346 0 40 DGAB O=C(c1ccoc1)N1CCN(Cc2ccc(F)cc2Cl)CC1 27467950 LXAZJLRTJFBZQX-UHFFFAOYSA-N 322.767 3.030 0 40 DGAB Cc1cccc(NC(=O)COc2cccc3c2CCC3=O)c1C 10197601 DBHMNWMINOLKQL-UHFFFAOYSA-N 309.365 3.450 0 40 DGAB Cc1cc(C)c2c(c1)[C@H](NC(=O)c1cccnc1S)CCO2 58244273 DHKCNSKGGGKOLS-CQSZACIVSA-N 314.410 3.241 0 40 DGAB Cc1ccc(S[C@@H](C)C(=O)NCCCCCC(=O)O)cc1 12794417 IJOYOXHPJTUPJT-ZDUSSCGKSA-N 309.431 3.237 0 40 DGAB O=C(Cc1cccs1)Oc1ccc(N2CCCC2=O)cc1 28255747 SKXATSIKWFPRIR-UHFFFAOYSA-N 301.367 3.023 0 40 DGAB COc1cccc(-n2cnc3c2N=C(O)C[C@H]3c2cccnc2)c1 36365930 TULBGTVNGPMIQC-HNNXBMFYSA-N 320.352 3.400 0 40 DGAB COc1ccccc1NC(=O)c1snnc1-c1ccccc1 36367139 GLCBQQISELQXAC-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1cccc(NS(=O)(=O)c2cc(C)c(C)cc2C)c1 28577450 OWECDIOMYFTGLD-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccccn2)c(C)n1Cc1ccco1 58978189 YSRBUAYPTHDOMC-UHFFFAOYSA-N 323.396 3.413 0 40 DGAB Fc1ccc(CN(C[C@H]2CCOC2)C2CC2)c2ncccc12 48262023 FBGMNMVYLFZYJF-CYBMUJFWSA-N 300.377 3.375 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)C2CCCCC2)cc1 48908101 QDWRCTMIQIDNPW-AWEZNQCLSA-N 316.445 3.411 0 40 DGAB C[C@H]1Oc2ccccc2C(=O)N(Cc2ccccc2Cl)C1=O 6757180 KSTYJSVJIPVVGN-LLVKDONJSA-N 315.756 3.290 0 40 DGAB CNC(=O)c1s/c(=N\c2ccccc2)n(-c2ccccc2)c1C 6800807 REBZYSCULAMOME-ZZEZOPTASA-N 323.421 3.439 0 40 DGAB CC1(C)CCc2cc3c4c(c(=O)oc3c(O)c2O1)CCCC4 8879678 QIFWZDHYPDIHRK-UHFFFAOYSA-N 300.354 3.481 0 40 DGAB biogenic O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)c(F)c1 7405346 NAGFDLXPRKZDJI-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Cc1ccc2cc3c(nc2c1)N(S(=O)(=O)c1ccccc1)CC3 15841938 LYQVTGNTQVFVID-UHFFFAOYSA-N 324.405 3.295 0 40 DGAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1cccc(F)c1 7878562 YEJJCTOIVFVNDH-NSHDSACASA-N 304.390 3.445 0 40 DGAB C[C@@H](C(=O)NCCN(C)C)c1ccc(-c2ccccc2)c(F)c1 9304450 YLVAUBQKOXBQFR-CQSZACIVSA-N 314.404 3.274 0 40 DGAB Cc1cc(C)n(CCc2nc(-c3ccccc3Cl)no2)n1 9531337 TWQGTKXMSWMQOB-UHFFFAOYSA-N 302.765 3.446 0 40 DGAB COc1cccc(CN2CCC[C@H]2c2c(C)nn(C)c2OC)c1 72267609 AXSRHCBKRFZGEI-INIZCTEOSA-N 315.417 3.083 0 40 DGAB Cc1cccc(NCC2CCN(Cc3csc(C)n3)CC2)n1 97163301 NRIQLDVSKKHCPK-UHFFFAOYSA-N 316.474 3.479 0 40 DGAB CC[C@H](NCC(=O)Nc1ccccc1F)c1c(C)noc1C 97111117 OEKDWSAKQQRUCA-ZDUSSCGKSA-N 305.353 3.110 0 40 DGAB c1ccc(CCN2CCC(NC[C@@H]3CCCS3)CC2)cc1 95412787 KCUXPQAGNUATNQ-SFHVURJKSA-N 304.503 3.179 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2ncccc2c1 95417759 SDVPBRHSTVHMDW-KUHUBIRLSA-N 320.392 3.477 0 40 DGAB CCC(CC)N(CCOC)C(=O)c1coc(Br)c1 79168099 QEHLTEXIUSZPHZ-UHFFFAOYSA-N 318.211 3.319 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)CCc1c(C)noc1C 95957217 IVBGHOYCTQFDJK-UHFFFAOYSA-N 316.401 3.200 0 40 DGAB CCSCCC(=O)NC[C@H](O)c1ccc2ccccc2c1 89275232 GWAISIMQLAMNCD-INIZCTEOSA-N 303.427 3.133 0 40 DGAB Cc1ccn2c(CNc3cccc(Cn4cccn4)c3)cnc2c1 89700836 APHUVGCSXWBTDL-UHFFFAOYSA-N 317.396 3.500 0 40 DGAB CCOc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1 409011309 HAFWFIUWYVYMHR-FOWTUZBSSA-N 308.337 3.183 0 40 DGAB CCCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1C 72219643 HZXUCJMXHCSPMM-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB Fc1ccccc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 72389900 SXYYLNQQSPRWCL-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB Cc1ccccc1CNC(=O)Nc1ccc(C(=O)NC2CC2)cc1 43918112 TWNJECXKPUKRQD-UHFFFAOYSA-N 323.396 3.209 0 40 DGAB CC(C)Cc1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 41123237 IFGHQFOUUQYCNA-LBPRGKRZSA-N 319.430 3.349 0 40 DGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)Nc2ccccc2)CC1=O 44716291 MXWVGMCCSKTUQA-GDBMZVCRSA-N 308.381 3.235 0 40 DGAB CC[C@@H](C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225273887 GTYBQUCVFVJSBD-CYBMUJFWSA-N 319.474 3.398 0 40 DGAB COC[C@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1Cl 225600572 MKUFCBYSESUVOB-JTQLQIEISA-N 315.797 3.117 0 40 DGAB COc1cccc(N[C@H]2OC(=O)c3c2c2ccccc2n3C)c1 49543493 WOBVGRWSRWTFKX-KRWDZBQOSA-N 308.337 3.468 0 40 DGAB biogenic COc1cccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)c1 228910083 GMOGCQUWTDDHKS-CQSZACIVSA-N 319.401 3.064 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccc(F)cc3)c2)n1 47318297 QLTFHMLNNLETJS-UHFFFAOYSA-N 323.327 3.137 0 40 DGAB C[S@](=O)c1ccc(CNCCc2ccc(F)cc2F)cc1 85323475 WZEDDQXBRWWAJS-OAQYLSRUSA-N 309.381 3.035 0 40 DGAB Cc1ccnc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)c1 97200722 ACYJCARPWCNBNF-OAHLLOKOSA-N 322.412 3.465 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 96445068 LUBUQENPGSGFQS-NVXWUHKLSA-N 310.397 3.255 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 96490912 NBWQWTQOMSLRGK-HOTGVXAUSA-N 316.788 3.303 0 40 DGAB CC(C)(C)c1cc(C(=O)NC[C@@H](O)c2ccccc2Cl)no1 96437365 LTUHRYHYILGWBS-CYBMUJFWSA-N 322.792 3.089 0 40 DGAB Cc1nccc([C@H]2C[C@@H]3CCN(Cc4cccs4)C[C@H]3O2)n1 96046151 ULHLFCFABBENJC-IAOVAPTHSA-N 315.442 3.199 0 40 DGAB COCC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 96500195 SDQXSJCNKVFQHC-SNVBAGLBSA-N 315.213 3.071 0 40 DGAB c1ccc(N[C@@H]2CCO[C@]3(CCN(C4CCCC4)C3)C2)nc1 96206488 WOAQSLUXIDPQIJ-CRAIPNDOSA-N 301.434 3.060 0 40 DGAB O=C1CCc2ccc(N[C@H]3CCN(Cc4ccccc4)C3)cc2N1 96482890 GTVXBBTUKYSJST-SFHVURJKSA-N 321.424 3.258 0 40 DGAB CCOc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCC(=O)C[C@@H]1C 95449318 LPQJPWMHJZXBBJ-QEORTHHSSA-N 315.413 3.194 0 40 DGAB C[C@H](COc1ccccc1C(F)(F)F)NC1CCOCC1 95420784 PXOUPPQPYXTBSX-LLVKDONJSA-N 303.324 3.241 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)s1 52928566 XZFIERQNGNYXOB-MRVPVSSYSA-N 307.396 3.267 0 40 DGAB C=CC(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 585293113 XEANSYHTBFOEGI-GFCCVEGCSA-N 314.414 3.174 0 40 DGAB Cc1ccc(F)cc1C(=O)NCc1ccnc(OCC2CC2)c1 67333434 LUQOHYDGTBAVSI-UHFFFAOYSA-N 314.360 3.248 0 40 DGAB CC(C)N(C(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1)C1CC1 95953191 KIRQMBPEVXNOON-NSHDSACASA-N 312.822 3.294 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCCOc2c(F)cccc21 97046935 WSDIAZXSDQDOBD-LBPRGKRZSA-N 306.362 3.234 0 40 DGAB COc1ccc(NC(=O)c2cccs2)cc1N1CCCC1=O 5440922 NGIQQHRIEFADMU-UHFFFAOYSA-N 316.382 3.136 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)Cc2ccccc2Cl)cc1 24969543 YGFWFCZQWCUJRU-UHFFFAOYSA-N 316.788 3.157 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H](C)c1cccs1 32674843 OAFDWVQEHAJMCC-NSHDSACASA-N 317.410 3.379 0 40 DGAB O=C(Cn1ccc2ccc(Br)cc21)NC1CCCC1 20730888 USIUGWNNNBBHSL-UHFFFAOYSA-N 321.218 3.463 0 40 DGAB COc1cccc2cc(C(=O)N3[C@H](C)CCC[C@H]3C)c(=O)oc12 778132 KHHMKTHXMMEWHB-VXGBXAGGSA-N 315.369 3.205 0 40 DGAB biogenic Fc1ccc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCC2CC2)cc1F 2055745985 XENKRNKQSXOPOU-OKZBNKHCSA-N 323.383 3.123 0 40 DGAB Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(C)o2)nc1 40139473 KDPMEXRODPROCS-AWEZNQCLSA-N 316.405 3.154 0 40 DGAB CC(C)CN1CCC(NC(=O)c2ccc(Cl)cc2F)CC1 46049647 YKALVMZEHFHHCN-UHFFFAOYSA-N 312.816 3.329 0 40 DGAB CCN(C[C@@H](O)COc1ccc(C(C)=O)cc1)C1CCCCC1 1475578 JYXKEGINCUOKHZ-GOSISDBHSA-N 319.445 3.284 0 40 DGAB O=C1NC(=O)C(c2ccc(Cl)cc2)(c2ccc(Cl)cc2)N1 1865457 QUIIKRQNYWCNAM-UHFFFAOYSA-N 321.163 3.076 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(C(=N)N)cc1Br 2599226 FLEHCHATPUXQST-UHFFFAOYSA-N 314.183 3.080 0 40 DGAB COc1ccc(NS(=O)(=O)c2cccc(C)c2)cc1Cl 2645523 TXHYQMQPRLXTIG-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCC[C@@H](C)C1 2778717 QKZFBHQDFFLCPC-KOLCDFICSA-N 303.328 3.030 0 40 DGAB COc1ccc(C(=O)[C@H]2SC(N)=N[C@H]2c2ccccc2)cc1 3019702 ZCHDLPRNEZDIPX-HOCLYGCPSA-N 312.394 3.049 0 40 DGAB CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@H]12 6200106 MICZNRRTCUCNTP-WSKOLGIYSA-N 303.446 3.336 0 40 DGAB CCSc1nnc(NC(=O)c2ccc3ccccc3n2)s1 2658027 DUUWHYWCCQNXKS-UHFFFAOYSA-N 316.411 3.451 0 40 DGAB Cc1ccccc1CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69661391 VZKSPXSARLYPDK-ROUUACIJSA-N 300.446 3.013 0 40 DGAB O=C(CCn1ccccc1=O)Nc1ccc(Cl)cc1Cl 32831007 WISBKFYCLQLLEK-UHFFFAOYSA-N 311.168 3.184 0 40 DGAB O=C(CN1C(=O)CCCc2ccccc21)Nc1ccc(F)cc1 21870651 VHJCETKOEBGFPI-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB O=C(NCCCN1CCCC1)c1ccccc1Cc1ccccc1 53287838 LHQROCAGGSNFIS-UHFFFAOYSA-N 322.452 3.493 0 40 DGAB CCOc1ccc(C2=C[C@@H](c3ccccc3)N3NC=NC3=N2)cc1 100594101 OJOJDITWWZWACK-SFHVURJKSA-N 318.380 3.386 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2)c(C)c1 24434498 VOPBBICHISYBLW-INIZCTEOSA-N 316.426 3.224 0 40 DGAB C[C@]1(O)CC[C@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 118913919 HDBFDASDLMVRNX-LBBSNDMKSA-N 322.489 3.112 0 40 DGAB biogenic,in-vitro O=C(NC1CCCCC1)c1cn2c3c(cccc3c1=O)CCC2 22235114 YOZFIMDOOOUOJT-UHFFFAOYSA-N 310.397 3.010 0 40 DGAB C[C@@H](Oc1cccc(C(F)(F)F)c1)c1ccnc2ncnn12 1401839 YTCCATZUGASCNG-SECBINFHSA-N 308.263 3.283 0 40 DGAB Cc1ccn2cc(C(=O)N3CCc4sccc4[C@H]3C)nc2c1 25382167 LOGGXUZDIPXRGG-GFCCVEGCSA-N 311.410 3.464 0 40 DGAB O=c1c2sc3ncccc3c2[nH]c(=S)n1Cc1ccco1 101416247 ZFBFZIGKVWYFIR-UHFFFAOYSA-N 315.379 3.310 0 40 DGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCC(C)CC1 26843514 VMOAHFMIWNBYRJ-UHFFFAOYSA-N 311.447 3.239 0 40 DGAB O=C(c1ccoc1)N1CCN([C@@H]2CCCc3ccccc32)CC1 58065228 DKHZEEMCAQENFZ-GOSISDBHSA-N 310.397 3.115 0 40 DGAB CN(C)c1cccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)c1 44868522 YADLHWKTMWRXEM-LBPRGKRZSA-N 300.324 3.167 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)CC[C@H]2CCCO2)cc1C 58246187 WUBCJRJHZURHOR-HZPDHXFCSA-N 305.418 3.146 0 40 DGAB O=C(COC(=O)c1ccc(O)cc1O)c1ccc2ccccc2c1 10386775 GSCOGDPLOVPZGN-UHFFFAOYSA-N 322.316 3.291 0 40 DGAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccnc(Cl)c1 58424367 FAXWIBQLRJJTEB-BXUZGUMPSA-N 315.804 3.103 0 40 DGAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc2c(c1)OCO2 20140706 RVZPIOQWBDIUBO-UHFFFAOYSA-N 319.700 3.019 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NCC(F)(F)F 91624436 OLVVCIRTSUJPBJ-LLVKDONJSA-N 318.343 3.216 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@@]21COCCN1 306146010 ZHCFQGHTGJMPNR-GOSISDBHSA-N 318.417 3.185 0 40 DGAB CCOc1ccccc1OCCC(=O)NCc1ccccc1F 8748236 XVKJTDNEPGMBJY-UHFFFAOYSA-N 317.360 3.310 0 40 DGAB COC(=O)c1sc(NC(=O)/C=C/c2ccc(F)cc2)nc1C 6254966 UPAUQGXHWUZNEJ-VMPITWQZSA-N 320.345 3.029 0 40 DGAB COc1cccc(NC(=O)COc2cc(C)ccc2C(C)=O)c1 8705377 CDDBCQKRMMCXMK-UHFFFAOYSA-N 313.353 3.224 0 40 DGAB CCCn1c(C)nnc1COc1ccc(C(C)=O)cc1Cl 119536065 LAIBSLDHRBSWKF-UHFFFAOYSA-N 307.781 3.432 0 40 DGAB CN(C)C(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242711 YHAJWCVYOURMEP-UHFFFAOYSA-N 323.421 3.477 0 40 DGAB Cc1nccc(C(=O)N2CCCc3cc(C(F)(F)F)ccc32)n1 65541734 FWHITFWLPDVWKC-UHFFFAOYSA-N 321.302 3.397 0 40 DGAB COc1ccc(-c2nc(C(=O)N3CCCC3)cs2)cc1OC 14139424 XOCDBRNQJUTPLA-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCc1ccccc1 14242097 PBPZPHVXKYHVAO-UHFFFAOYSA-N 308.385 3.251 0 40 DGAB Cc1nc(NC(=O)CCc2ccc3c(c2)OCO3)sc1C 14239431 UOZCPRMGLGGCCR-UHFFFAOYSA-N 304.371 3.060 0 40 DGAB CCOc1ccccc1CNC(=O)c1cc(OC)cc(OC)c1 20110720 IIIHZVYNVUWCSO-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB CCCc1cc(=O)oc2cc(O[C@@H](C)C(=O)OC)c(Cl)cc12 4749551 AXOHAEJRCVPOFG-VIFPVBQESA-N 324.760 3.339 0 40 DGAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1 5686568 IEVYUPROKYLJOR-YGRLFVJLSA-N 317.414 3.334 0 40 DGAB O=C(CNCc1cccs1)Nc1ccc(C(F)(F)F)cc1 5763855 XPUPYSHQMFEBMS-UHFFFAOYSA-N 314.332 3.495 0 40 DGAB Cc1ccc(NC(=O)CN2CCC[C@@H]2c2cccn2C)cc1C 7039187 HRMVOJFOEALVQE-GOSISDBHSA-N 311.429 3.418 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 7696757 WFPPBMRKHQPKQA-UHFFFAOYSA-N 305.381 3.453 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1cccs1 7846740 XSUNMBFMBQBKBJ-UHFFFAOYSA-N 324.833 3.481 0 40 DGAB CCc1onc(C)c1NS(=O)(=O)c1cc(C)c(C)s1 91019270 PAZDIMIPZGTBLU-UHFFFAOYSA-N 300.405 3.025 0 40 DGAB CCOCCC1(CNC(=O)[C@H]2COc3ccccc32)CCCC1 89986868 BSQHUSREJUDECA-INIZCTEOSA-N 317.429 3.266 0 40 DGAB CCCc1nc([C@@H](NC(=O)CC(C)C)c2ccccc2)no1 71914361 PLSPMGNDQRHNSE-INIZCTEOSA-N 301.390 3.274 0 40 DGAB CC(=O)c1ccc(NC(=O)NCc2cccnc2)cc1Cl 97084169 LQEFDQGHSBMQIM-UHFFFAOYSA-N 303.749 3.259 0 40 DGAB COC(=O)[C@H](N[C@@H](C)c1cc2ccccc2o1)c1cccnc1 97111337 BAXGUVMMOXFJHE-YVEFUNNKSA-N 310.353 3.393 0 40 DGAB O=C(c1cc2c(cc1O)CCCC2)N1CCOc2ccccc2C1 84582096 BFHSRUXTDPREMN-UHFFFAOYSA-N 323.392 3.306 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@H](C)OC[C@@H]1c1ccccc1 84705587 NYGMNCKHHHDTPW-DZGCQCFKSA-N 314.385 3.400 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccncc2)CC1 95401519 ZVTSKOIBVJVBLL-AWEZNQCLSA-N 319.449 3.207 0 40 DGAB CC(C)[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1N 95944684 YSLXBJNLYCEKPD-QGZVFWFLSA-N 318.442 3.086 0 40 DGAB O=C(CCCc1ccc(F)c(F)c1)NCCc1cscn1 95964762 QGZNIELXWXUJBJ-UHFFFAOYSA-N 310.369 3.103 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H]1C[C@@H](O)c1ccccc1 78935654 SQUIMNQOQPBDMM-LSDHHAIUSA-N 316.426 3.180 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2CN2CCCC2)cc1 30556772 XFFURJVYDZKTOQ-UHFFFAOYSA-N 322.452 3.450 0 40 DGAB COCCCCC(=O)Nc1ccc(OC)c(Br)c1 78996890 XJSHIWSNPXRFCH-UHFFFAOYSA-N 316.195 3.213 0 40 DGAB COc1ccc2[nH]c([C@H]3CCN(C(=O)c4ccccc4)C3)nc2c1 35442879 CSGMFJIRYAADTP-AWEZNQCLSA-N 321.380 3.201 0 40 DGAB biogenic,in-vitro COc1ccc2nc(CNc3ncn(C(C)(C)C)n3)sc2c1 530435262 KRFBSAMCYKHIAA-UHFFFAOYSA-N 317.418 3.264 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N[C@H](C)c1ccc(F)cc1 1539329504 VGCSMDUEXMKLEI-PEBVRCNWSA-N 315.344 3.231 0 40 DGAB Cc1nc(NCc2ccccc2F)cc([C@H]2CCCNC2)n1 72365044 ATZPHBPQHMYPRH-AWEZNQCLSA-N 300.381 3.003 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccc(Cl)cc2)CC1 73742918 GSDZEACWCOEFNW-UHFFFAOYSA-N 308.809 3.364 0 40 DGAB CC(C)[C@H](NC(=O)/C=C/c1ccc(Cl)c(Cl)c1)C(=O)O 33456186 DXWKKGCRDOMUAH-BPJJOFIESA-N 316.184 3.232 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72228092 ZZCARHSUPXOKSB-HZPDHXFCSA-N 316.788 3.154 0 40 DGAB CCCO[C@H]1CCCN(Cc2ccc(C(=O)O)c(F)c2)CC1 568883211 FOIZJHZWKVFPFR-AWEZNQCLSA-N 309.381 3.305 0 40 DGAB CCOC(=O)c1ccc(Nc2cc(N)nc(SCC)n2)cc1 49467525 XNLVZPKPUXPOBB-UHFFFAOYSA-N 318.402 3.091 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCC(C)C 224277399 PLMGKOTXZSLCIQ-CYBMUJFWSA-N 324.852 3.239 0 40 DGAB COc1cccc(CCCNC(=S)Nc2cccnc2)c1 225555165 WGSYGLZYKDPFCR-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB Cc1nn(C)c2nccc(OCc3cccnc3C(F)(F)F)c12 530164033 MPVTVTYRSBCZBK-UHFFFAOYSA-N 322.290 3.270 0 40 DGAB O=C(c1ccsc1)N1CC2(CCN(Cc3ccsc3)C2)C1 96046493 IYNLRJCJUSNQPP-UHFFFAOYSA-N 318.467 3.158 0 40 DGAB C[C@H]1CCCCN1C(=O)CCn1ncc2ccc(Cl)cc21 96181972 VKXGMRSGRCRCAZ-LBPRGKRZSA-N 305.809 3.481 0 40 DGAB O=C(OC1([C@@H]2CCOC2)CC1)c1cnc2ccc(F)cc2c1 95443312 OEUUDEJLORSDNG-CYBMUJFWSA-N 301.317 3.100 0 40 DGAB O=S(=O)(Nc1ccc(OC(F)F)cc1F)c1cccs1 330032033 HJAUCNZYGGUBLV-UHFFFAOYSA-N 323.317 3.289 0 40 DGAB C[C@H](c1ccccc1F)N(C1CC1)S(=O)(=O)c1cccnc1 96427801 JBZFXZVRCQPUKL-GFCCVEGCSA-N 320.389 3.135 0 40 DGAB CCOc1cc(NC(=O)NC[C@@](C)(O)c2ccco2)ccc1C 96434574 OUTROUVCDLKGNT-QGZVFWFLSA-N 318.373 3.016 0 40 DGAB CC(=O)N1CC[C@@H](Cc2ccc(-c3nc(C)c(C)s3)nc2)C1 257333169 YALZCMALYDUITA-HNNXBMFYSA-N 315.442 3.233 0 40 DGAB Cc1nccc([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257241237 HXGDWCXDRQSYDL-SFHVURJKSA-N 321.424 3.440 0 40 DGAB CC(=O)c1ccc(Br)c(I)c1 90756351 AJBPPIREFBJQPB-UHFFFAOYSA-N 324.943 3.256 0 40 DGAB Cc1nnsc1C(=O)N[C@@H](c1ccsc1)c1cccs1 828234693 FXHUFNHKPDCGBJ-NSHDSACASA-N 321.452 3.489 0 40 DGAB Cn1c(-c2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21 68343521 ZNUOKLZNZIWTDN-UHFFFAOYSA-N 318.336 3.481 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 68156210 CPZHEOREENCKDZ-LBPRGKRZSA-N 310.401 3.318 0 40 DGAB O=S(=O)(Nc1cccc(C(F)(F)F)n1)c1ccccc1F 71909626 QLQYQOUHGDKXOZ-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB c1ccc2oc([C@H]3CCCN(C[C@@H]4CCCOC4)C3)nc2c1 675515989 UHOZUKMGDZCKOK-GJZGRUSLSA-N 300.402 3.434 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 40462040 LCAQXOLPJLQRMG-GFCCVEGCSA-N 300.324 3.167 0 40 DGAB CCc1ccc(C(=O)NCc2nnc(SC)n2C(C)C)cc1 5001709 ZVLZYLIIQOHJMV-UHFFFAOYSA-N 318.446 3.073 0 40 DGAB Cc1ccc2nc(C(F)(F)F)cc(N3CCCNCC3)c2c1 2243373 NWEBRDKVSKEUNH-UHFFFAOYSA-N 309.335 3.362 0 40 DGAB Cc1ccc(Cc2nnc(SCc3ccccc3)n2N)cc1 226299521 SXHGXZYBDRVDQG-UHFFFAOYSA-N 310.426 3.183 0 40 DGAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)CC)ccc21 8958946 XDHNJGBBZQDARG-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB Clc1ccc(CN2CCN(c3ccncn3)CC2)c(Cl)c1 1203392992 RJWHMQFWYAKRJQ-UHFFFAOYSA-N 323.227 3.106 0 40 DGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC(CF)CC1 1888856852 NCANGEIDQCUUNP-UHFFFAOYSA-N 319.355 3.048 0 40 DGAB CC(=O)Nc1ccc(CCCCc2cccc(C(=N)N)c2)cc1 1583116 XDYCSHXPLSQNMR-UHFFFAOYSA-N 309.413 3.494 0 40 DGAB CCCc1cc(=O)[nH]c(SCc2cc(OC)cc(OC)c2)n1 5154797 FDXDERISNLVDMO-UHFFFAOYSA-N 320.414 3.032 0 40 DGAB CO[C@H](CCSC)CNC(=O)c1cccc(C(F)(F)F)c1 1775967408 QLQAPVMQIUIHES-GFCCVEGCSA-N 321.364 3.203 0 40 DGAB O=C(CC[C@H]1COc2ccccc2O1)Nc1ccc(Cl)nc1 28541801 XNKOJKQULCTCKF-LBPRGKRZSA-N 318.760 3.294 0 40 DGAB CSCc1csc(NC(=O)NCCc2ccccc2)n1 36662225 FNDOORLASMFPCH-UHFFFAOYSA-N 307.444 3.370 0 40 DGAB O=C(NC[C@@]1(O)C=CCCC1)c1csc(-c2ccccc2)n1 606440814 SXNSJDIAULZNTE-QGZVFWFLSA-N 314.410 3.011 0 40 DGAB COc1ccc(C)cc1NC(=O)Cn1cc(C=O)c2ccccc21 5986773 PDESOYPLSHNHPQ-UHFFFAOYSA-N 322.364 3.410 0 40 DGAB CCC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 15954164 QQRYQGYWFJBEFE-NZSAHSFTSA-N 317.429 3.300 0 40 DGAB biogenic CCOc1cc2c(cc1CNC(=O)c1occc1C)O[C@@H](C)C2 24646621 MCOZHRIRJZPWCM-LBPRGKRZSA-N 315.369 3.240 0 40 DGAB CC1CCN(C(=O)c2cccc(NC(=O)c3ccncc3)c2)CC1 20113109 DBLXUURWYQYCMD-UHFFFAOYSA-N 323.396 3.206 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc([S@@](C)=O)cc2)cc1 30898219 LYCOIHIMCFHVMP-NRFANRHFSA-N 301.411 3.005 0 40 DGAB CCNC(=O)[C@H](C)N1CCC(c2nc3ccccc3s2)CC1 9364599 PDHXFCWNGKFFFO-LBPRGKRZSA-N 317.458 3.000 0 40 DGAB C[C@H]1CCc2noc(NC(=O)COc3ccccc3Cl)c2C1 9306594 ADKHOUPBJTYTIG-JTQLQIEISA-N 320.776 3.470 0 40 DGAB CCN(CC1CC1)C(=O)c1cc2c(nc3sccn32)s1 69747016 GIKVNBUQZQUXJL-UHFFFAOYSA-N 305.428 3.483 0 40 DGAB CCOC(=O)c1cc2c(oc1=O)-c1cc(C)ccc1O[C@@H]2C 1611941 HXTSYZKLTBASCP-SNVBAGLBSA-N 300.310 3.245 0 40 DGAB CN(CCc1nccs1)Cc1cnn(-c2ccc(F)cc2)c1 93844128 NYOFIFAGMVGSSI-UHFFFAOYSA-N 316.405 3.142 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc2ccccc2oc1=O 3958933 KKDGGMWPWSQWMX-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 6202119 NRCIIYINZAFCAN-UKRRQHHQSA-N 318.417 3.263 0 40 DGAB CCOP(=O)(OCC)c1ccc(-c2cccnc2)nc1S 6392919 ZEUNIAWEPFPUQG-UHFFFAOYSA-N 324.342 3.324 0 40 DGAB CCCn1nnnc1NCc1cc(Cl)cc(Cl)c1OC 7263343 XUXKEXPWLXVVLS-UHFFFAOYSA-N 316.192 3.011 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2ccccc2C(=O)O)cc1 12017177 KVCRMXMHXVSWTM-FMIVXFBMSA-N 311.337 3.435 0 40 DGAB O=C1[C@@H]2CCC[C@H]2C(=O)N1Cc1ccc(-c2cccnc2)cc1 102344523 AEPIZAFNCOVOCI-IAGOWNOFSA-N 306.365 3.034 0 40 DGAB CCOC(=O)c1ccc(NC(=S)NC2CCCCC2)cc1 2768456 DIZLFQRTLUMOKS-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB CCOc1ccc(-n2nc(C(=O)O)nc2-c2ccc(C)cc2)cc1 8730812 ODKWPWLOXCISRF-UHFFFAOYSA-N 323.352 3.340 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)NC2CCCCC2)c1 47579415 TVEOYPXWAIAPTI-LBPRGKRZSA-N 303.406 3.338 0 40 DGAB COc1ccc(CNC(=O)CCn2nc(C)c3ccccc32)cc1 57279412 OOPMSCDAJNVSKI-UHFFFAOYSA-N 323.396 3.060 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(N(C)C)nc2)s1 22419370 UAYOEUPWCSVQMT-UHFFFAOYSA-N 317.414 3.119 0 40 DGAB Cn1cc(C(=O)N[C@@H](c2ccc(Cl)cc2)C(F)(F)F)cn1 96420958 ACGVXIFIDYPRHI-NSHDSACASA-N 317.698 3.107 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)c1 101275176 YBMRQOGIZYOKOY-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB CC(C)C(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@H](C)C1 76057459 AYMQPSIFMRYTIW-DOMZBBRYSA-N 321.490 3.003 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)Nc1nccs1 42754916 VJZSNUYWKVNYRZ-UHFFFAOYSA-N 316.430 3.061 0 40 DGAB CC(C)OCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 24828691 CSBPCWULXHMGFQ-UHFFFAOYSA-N 323.392 3.443 0 40 DGAB NC(=O)[C@@H](c1cccs1)c1ncc(C(F)(F)F)cc1Cl 1385483 PFOPPXJOFQLSHN-VIFPVBQESA-N 320.723 3.433 0 40 DGAB Cc1ccc(NC(=O)NCc2ccncc2)c(Br)c1 43328520 NYZJDPFKWYQEKQ-UHFFFAOYSA-N 320.190 3.474 0 40 DGAB CN(c1ncnc2[nH]ccc12)C1CCN(Cc2ccccc2)CC1 78160463 DBFABLXCQZVCIF-UHFFFAOYSA-N 321.428 3.059 0 40 DGAB O=C1c2cccnc2C(=O)N1c1ccc(OC(F)(F)Cl)cc1 1427940 AQMYFEIQKDGWBP-UHFFFAOYSA-N 324.670 3.050 0 40 DGAB Cc1ncsc1C(=O)N1CCC(N(C)c2ccccc2)CC1 57090141 QMHXHSUHHJKKNC-UHFFFAOYSA-N 315.442 3.193 0 40 DGAB CCOc1ncccc1NC(=O)c1nc(Cl)ccc1Cl 27515613 SFGXSZLQWNTRLV-UHFFFAOYSA-N 312.156 3.434 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc(O)c(Cl)c3)ccc21 58195670 CJUHDGKGUPFNOX-UHFFFAOYSA-N 316.748 3.063 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1F 44890290 OEYCVMYRUCFGHS-CJNGLKHVSA-N 313.376 3.121 0 40 DGAB CCc1noc(C)c1C(=O)N[C@H](C)CCc1ccc(OC)cc1 58201935 RFUXABBUFMQNGH-GFCCVEGCSA-N 316.401 3.305 0 40 DGAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1cccnc1 27922305 RORIELOGDFCRIT-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB C[C@@H]1CCc2ccccc2N1CCNC(=O)NCc1ccccc1 36394118 CBOVALMJXQTARV-MRXNPFEDSA-N 323.440 3.327 0 40 DGAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc(C)c(C)c2)cn1 12809796 ZFQGAHZWKOZQRV-ZDUSSCGKSA-N 313.353 3.135 0 40 DGAB Cc1occc1-c1nnc(SCC[C@H]2CCCCN2C)n1C 49710814 NECYQURKSMFPRY-CYBMUJFWSA-N 320.462 3.350 0 40 DGAB CN(C(=O)Nc1ccccc1CC(N)=O)C1CCCCCCC1 65584853 ZSVORDBXDRHAMA-UHFFFAOYSA-N 317.433 3.291 0 40 DGAB O=C(NC1CCCC1)C1CCN(Cc2ccccc2F)CC1 4699636 ATLCJAWLGPCUFG-UHFFFAOYSA-N 304.409 3.097 0 40 DGAB COc1ccccc1C(=O)N1CCN(C2CCCCCC2)CC1 4700147 DITFFHYXMRPEJC-UHFFFAOYSA-N 316.445 3.176 0 40 DGAB CC[C@@H]1Oc2ccccc2C(=O)N(Cc2ccccc2F)C1=O 6758415 QCQLMHFCWZXYBR-HNNXBMFYSA-N 313.328 3.166 0 40 DGAB Cc1ccc(C(N)=O)c(OCc2cc(Cl)c3c(c2)OCO3)c1 9114511 HIQRNODBPBQRLJ-UHFFFAOYSA-N 319.744 3.055 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(Br)c(C)c2)no1 9118768 FEHKPMOPTXJHKK-UHFFFAOYSA-N 324.178 3.105 0 40 DGAB C[C@H](Sc1ccc(C(C)(C)C)cc1)C(=O)N1CCNC1=O 7130910 UMOSZLRJOFHJGC-NSHDSACASA-N 306.431 3.017 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7406730 FCFQQIXULJZJBA-IUODEOHRSA-N 324.833 3.041 0 40 DGAB COc1ccc(F)cc1S(=O)(=O)NCCC1=CCCCC1 7616216 XGYZUQZMHAODPU-UHFFFAOYSA-N 313.394 3.003 0 40 DGAB COc1ccc(OC)c(NC(=O)N(C)[C@@H](C)c2cccnc2)c1 68524998 YTBISRSPUBJWHE-LBPRGKRZSA-N 315.373 3.324 0 40 DGAB COc1ccc(NC(C)=O)cc1Nc1ncnc2sccc12 7984060 FQGSDZLWUHCSCW-UHFFFAOYSA-N 314.370 3.402 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)NC1CCCCCC1 7985132 AFEPYUFJKFSMCE-UHFFFAOYSA-N 303.402 3.279 0 40 DGAB CCOc1ncccc1C(=O)OCCOc1cc(C)cc(C)c1 16695229 AGJSKKBGUHSRPO-UHFFFAOYSA-N 315.369 3.333 0 40 DGAB CCCCOc1ccccc1-c1n[nH]c(SCCC(=O)O)n1 26806829 HIRZTYCOJOBOMN-UHFFFAOYSA-N 321.402 3.217 0 40 DGAB c1ccc(-c2csc(CN[C@@H]3CCc4ncnn4C3)c2)cc1 69491547 QYVIFOHDTMKHFZ-OAHLLOKOSA-N 310.426 3.111 0 40 DGAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2F)cc1 19736632 FAOLUHGCWZIELD-LLVKDONJSA-N 302.349 3.376 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2c[nH]nc2-c2ccc(C)o2)c1 71882224 LQTXGYFNSLUSRN-KBPBESRZSA-N 313.405 3.222 0 40 DGAB O=C(c1ccccn1)N1CCc2ccc(Br)cc21 71900097 DIMPKOFGMNUATM-UHFFFAOYSA-N 303.159 3.047 0 40 DGAB Cn1cc(/C=C(/CCC(=O)O)c2nc3ccccc3s2)cn1 96939757 QHGCFTBJIPSKOE-WQLSENKSSA-N 313.382 3.435 0 40 DGAB C[C@H](CN1C(=O)N[C@@H](C(C)(C)C)C1=O)c1ccc(F)c(F)c1 97045976 LLDRDCZOULCVOO-NOZJJQNGSA-N 310.344 3.035 0 40 DGAB C[C@H](Nc1ccc(Oc2cccc3cccnc23)cc1)C(N)=O 97085766 QUUQNSWHCJPIBS-LBPRGKRZSA-N 307.353 3.313 0 40 DGAB C[C@H]1C[C@H](NC2CCN(Cc3ccccn3)CC2)CC[C@H]1C 97113403 AXABCHIFBUYAHV-SOLBZPMBSA-N 301.478 3.460 0 40 DGAB CC(C)(O)CNC(=O)c1ccc(-c2nc3ccccc3s2)o1 72304479 GGTYEWDWEAOTEF-UHFFFAOYSA-N 316.382 3.057 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)O)n2CC(C)C)cc1 72328110 WZTRQIOGVUKDIU-UHFFFAOYSA-N 305.403 3.086 0 40 DGAB O=S(=O)(c1cccs1)N(CCC(F)(F)F)C1CCC1 84442242 IRYJQCSYCHEGEQ-UHFFFAOYSA-N 313.366 3.244 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[C@@]2(CCOC2)C1 95410559 WRLRPLBQCWQTLF-PKOBYXMFSA-N 314.429 3.350 0 40 DGAB Cc1ccc(CCC(=O)Nc2cccc(-n3cnnc3C)c2)o1 95450795 OLPGFYLXXAOQDB-UHFFFAOYSA-N 310.357 3.048 0 40 DGAB C[C@H](NC(=O)N1CCc2ccccc2[C@H]1CO)c1cccs1 95417072 LUAPDFGANKDTCW-SWLSCSKDSA-N 316.426 3.110 0 40 DGAB CC(C)[C@@H](C(=O)O)[S@@](=O)Cc1ccc(C(F)(F)F)cc1 97826605 LEEPCYDDRNDMJN-PRWKNARSSA-N 308.321 3.063 0 40 DGAB Cc1ccc(NC2CCN(CCCn3ccnc3C)CC2)cc1 95975831 CGNMVIWFWSRTER-UHFFFAOYSA-N 312.461 3.467 0 40 DGAB Cc1ccc(CCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCSC2)o1 89652886 DLIZTGCCKMAYRS-HOCLYGCPSA-N 323.458 3.034 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1cccc(Cn2cccn2)c1 32817267 ZPFIHPGEDZJEQW-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB COc1ccc(C(=O)CSc2nc(C)cs2)c(OC)c1 60385648 WOEWALIMZRVQEQ-UHFFFAOYSA-N 309.412 3.444 0 40 DGAB O=C(N[C@@H]1CCN(CCCC2CCCC2)C1)c1ccccc1 1009949094 IOGSYKAVWJXUFP-GOSISDBHSA-N 300.446 3.461 0 40 DGAB Cc1cc(NC(=O)c2ccc(-c3cccs3)nc2C)n(C)n1 75568809 AHNIFVXSNBFTHU-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB COCCCn1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)n1 77513467 OECYLZSUSAHWAB-GFCCVEGCSA-N 320.393 3.012 0 40 DGAB CC(C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35315115 LUEBFUMYCRFXQL-UHFFFAOYSA-N 303.431 3.037 0 40 DGAB CCNc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72213060 QAAGSKUNJSDLFY-UHFFFAOYSA-N 307.394 3.001 0 40 DGAB Cc1cc(C(=O)Nc2cc(-c3ccc(F)cc3F)no2)no1 81783322 DOCVGMPBUDCKBH-UHFFFAOYSA-N 305.240 3.169 0 40 DGAB C[C@@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)O)cc12 226105711 BZNLOKLELVWANM-SECBINFHSA-N 311.366 3.472 0 40 DGAB Cc1nc(C)c(CC(=O)NCCc2ccc(Cl)cc2)s1 41179654 XEWABGUZGFAXFX-UHFFFAOYSA-N 308.834 3.315 0 40 DGAB COCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225607736 QMQHTMJHBWZTHZ-KRWDZBQOSA-N 309.406 3.102 0 40 DGAB O=C(NCCOCc1ccccc1)c1ccc(Cl)cc1F 225144803 LLXSGHRKZADYKQ-UHFFFAOYSA-N 307.752 3.426 0 40 DGAB O=C(CCCc1ccc2c(c1)OCCO2)NCC1=CCCCC1 224944869 VRPVMKPNRKXFEH-UHFFFAOYSA-N 315.413 3.397 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCC 225101471 HGAIRXVNZUKZQJ-MRXNPFEDSA-N 304.434 3.120 0 40 DGAB Cc1ccnc(C(=O)N2C[C@H]3CCC[C@@]3(COCC3CC3)C2)c1 96109187 WGGCBSQEVRUNIJ-APWZRJJASA-N 314.429 3.059 0 40 DGAB COc1cncc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)n1 576442848 MRSBZAMLBYMHLK-KRWDZBQOSA-N 323.396 3.243 0 40 DGAB Cc1nn(C)c2cc(NC(=O)c3cc(-c4ccoc4)[nH]n3)ccc12 583598439 LVYVLYGQYDSTMU-UHFFFAOYSA-N 321.340 3.117 0 40 DGAB C[C@]1(NC(=O)Nc2cccc(CCC(F)(F)F)c2)CCOC1 96485080 YNQQSRRXCZSOCQ-AWEZNQCLSA-N 316.323 3.482 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490864 KUNYZRBSLDKYDQ-CHWSQXEVSA-N 322.817 3.365 0 40 DGAB CSC(C)(C)CNC(=O)NCCc1csc(C(C)C)n1 96439708 LDMPIFKCFGXZLF-UHFFFAOYSA-N 315.508 3.250 0 40 DGAB CC(C)SCC(=O)N[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 539446819 QQHSPURGKNSNBK-HIFRSBDPSA-N 315.385 3.053 0 40 DGAB Cc1ccc(F)c(-c2noc(NC(=O)[C@H]3CCCO3)c2C)c1 585085734 IDIMRRZMVVCHGW-CYBMUJFWSA-N 304.321 3.215 0 40 DGAB Cc1nccc(CN2CCC(C)(c3ncc(C)s3)CC2)n1 257294456 QUGIXHMXQYVOPM-UHFFFAOYSA-N 302.447 3.104 0 40 DGAB CC(=O)N1CCC(c2cccc(Nc3cccc(C)n3)n2)CC1 257215782 CRPOGTWAJGEYSC-UHFFFAOYSA-N 310.401 3.255 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2CCc2ccnc(C)c2)cn1 257262983 LNWGGTGCGRKSCZ-SFHVURJKSA-N 309.413 3.331 0 40 DGAB COCCCN(CCOC)C(=O)Nc1cccc2ccccc12 56346881 PTBBTSUFQUUWMO-UHFFFAOYSA-N 316.401 3.357 0 40 DGAB O=C(N[C@@H]1CCc2c(F)cccc21)c1cc2ccccc2c(=O)[nH]1 56325503 TXQTVZBTFKVBBM-MRXNPFEDSA-N 322.339 3.085 0 40 DGAB CC(=O)Nc1cc(NC(=O)N2CC(C)(C)C2(C)C)ccc1F 75092134 NTZXYTKOOYEVHE-UHFFFAOYSA-N 307.369 3.436 0 40 DGAB CCS[C@H]1CC[C@@]1(O)CNC(=O)c1sccc1C1CC1 89275025 HQZJOFUPDIMWEY-SWLSCSKDSA-N 311.472 3.002 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CCc1ccccc1Cl)C(=O)O 95749090 JNIQRDWUMGDPKP-GFCCVEGCSA-N 313.781 3.251 0 40 DGAB CCn1c(C)cc(C(=O)COc2ccc3c(c2)OCO3)c1C 12974503 TWRXUBFGJAMCLZ-UHFFFAOYSA-N 301.342 3.115 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@@H]1C[C@H]1C)CC1(CCOCC1)O2 12337450 WNWBDFOCJJTNMC-IIAWOOMASA-N 315.413 3.140 0 40 DGAB O=C(O)C1(Cc2cc(-c3ccc(F)cc3F)no2)CCOCC1 13265802 YXEHUKUZBOVFIB-UHFFFAOYSA-N 323.295 3.044 0 40 DGAB c1ccc2c(c1)ncn2CCOCCn1cnc2ccccc21 16545648 PPELCFMQCSHFPJ-UHFFFAOYSA-N 306.369 3.103 0 40 DGAB CSc1ccc([C@H](C)NC(=O)c2cnc(C)nc2C)cc1 19937155 NEOGNVGGHLEMLD-JTQLQIEISA-N 301.415 3.306 0 40 DGAB COc1ccc(NC(C)=O)cc1Nc1cc(C(F)F)nc(C)n1 1888930451 TTZMCEBYZRMXSG-UHFFFAOYSA-N 322.315 3.433 0 40 DGAB CCc1cnc(N2CCC(COc3ncccc3C)CC2)nc1 1775995724 GIUCJRVTUJZNPM-UHFFFAOYSA-N 312.417 3.038 0 40 DGAB Fc1ccc(F)c(CN2CCC[C@@H](COc3ncccn3)C2)c1 1775995965 OUVQTHOUSPRDBS-CYBMUJFWSA-N 319.355 3.046 0 40 DGAB O=C(CC(F)(F)F)N1CC[C@H](Oc2ccc3ccccc3n2)C1 245108446 SXNKDJMVXAHUAM-LBPRGKRZSA-N 324.302 3.167 0 40 DGAB c1ccc(CO[C@H]2CN(C3CCCC3)C[C@@]23CCCO3)cc1 2037849927 ONEQFKZPHWHJHX-OALUTQOASA-N 301.430 3.379 0 40 DGAB Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c(C)c1 53329 STEZSPHFNBRFRC-GOSISDBHSA-N 324.405 3.188 0 40 DGAB CC[C@@H](C(=O)NCCc1cn2ccccc2n1)c1ccccc1 2960886 ZOBUYDKDFUWVMK-QGZVFWFLSA-N 307.397 3.187 0 40 DGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccc1Cl 4325600 PSFREWYVBVJZSC-UHFFFAOYSA-N 323.801 3.143 0 40 DGAB CCOC(=O)c1csc(NC(=O)CSc2ccccc2)n1 4496636 XLHLWEMWNRXHQA-UHFFFAOYSA-N 322.411 3.051 0 40 DGAB O=C(Nc1ccc2c(c1)CCCN2C(=O)C1CC1)c1ccco1 5373873 HMJROPYNTMGLIU-UHFFFAOYSA-N 310.353 3.221 0 40 DGAB Fc1ccc2nc(N3CC(COc4cccnc4)C3)sc2c1 2298224371 WFPMNKLWJWLLGD-UHFFFAOYSA-N 315.373 3.346 0 40 DGAB O=C(Nc1cccc(-c2nnn[nH]2)c1)c1cc2ccccc2s1 39978231 CELQHMHYEGMHHD-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB C[C@@H](NC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1Cl 50290301 BYZWZXZGSOSVKJ-SSDOTTSWSA-N 302.157 3.035 0 40 DGAB CSc1nc2ccccc2c(=O)n1[C@H]1CCOC(C)(C)C1 119060 USTDQPWLHGQZTO-NSHDSACASA-N 304.415 3.249 0 40 DGAB CCc1nc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)sc1C 40553194 HUUMFJYUYANLFH-NSHDSACASA-N 315.398 3.078 0 40 DGAB Cc1ccoc1C(=O)Nc1cccc(N2CCOC2=O)c1C 75349919 PHOKKUCQTNZEBL-UHFFFAOYSA-N 300.314 3.105 0 40 DGAB C[C@@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nnc(-c2ccccc2)o1 29456719 JUHSXCMABNHVDB-SNVBAGLBSA-N 321.340 3.079 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)c2ccc(F)cc2F)c1 32028916 QABLKRUYRIIEDG-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB COc1ccc2oc(=O)c(-c3cn4ccc(C)cc4n3)cc2c1 244942 DCCQIFALWAYPOM-UHFFFAOYSA-N 306.321 3.425 0 40 DGAB Cc1ccc(CNc2ncnc3c2cnn3[C@@H]2CCCCO2)cc1 2044694 SHTJPRKZNARFGV-INIZCTEOSA-N 323.400 3.446 0 40 DGAB Cc1cccc(C)c1Nc1nnc(Cc2ccccc2)c(=O)[nH]1 2718717 ZTLLIMCPVBVIPU-UHFFFAOYSA-N 306.369 3.116 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)cc1 3489664 MAVIDOIKZLKWHV-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB Cc1ccc(C2=NN(C(=O)[C@H]3CCCO3)[C@H](c3ccco3)C2)cc1 385987 OUPZKVPAJKDOHG-FUHWJXTLSA-N 324.380 3.445 0 40 DGAB C[C@@H](Sc1cnc2ccccc2n1)C(=O)NCc1ccccc1 32778379 BLSQZMMVLZBSST-CYBMUJFWSA-N 323.421 3.427 0 40 DGAB COC(=O)c1cccc(COC(=O)c2ccc(C(C)=O)s2)c1 32776838 KZCHBZFYCQONQC-UHFFFAOYSA-N 318.350 3.094 0 40 DGAB CC(C)NC(=O)N(C)[C@@H](c1ccc(F)cc1)c1cccnc1 69667262 LSKDORBPEFNEBE-INIZCTEOSA-N 301.365 3.360 0 40 DGAB Cc1ccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)cc1 547665 UJWXXTWRMWIHKC-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB CC[C@@H](NC(=O)CN1CCCCCC1=O)c1ccc(Cl)cc1 22491609 QOFUZSAJZBDBOT-OAHLLOKOSA-N 322.836 3.310 0 40 DGAB O=C(c1cnn(-c2ccccc2Cl)c1)N1C[C@H]2CC[C@H]1C2 103724097 ZOXVUBZGONYSRG-AAEUAGOBSA-N 301.777 3.150 0 40 DGAB O=C(O)CCCCNC(=O)C(c1ccccc1)c1ccccc1 3058815 GHGVNDYAIMHWMK-UHFFFAOYSA-N 311.381 3.190 0 40 DGAB CC(C)(C)SCC(=O)NC1CCN(Cc2ccccc2)CC1 23155497 NGHPIHKCKGHWMD-UHFFFAOYSA-N 320.502 3.299 0 40 DGAB CCc1nnc(NC(=O)Cc2c(C)[nH]c3ccccc23)s1 24763205 MEPXDRRACNNHQS-UHFFFAOYSA-N 300.387 3.071 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)NCc1ccccc1)c1ccccc1 25123146 MPPDXOKLOGYEHX-KRWDZBQOSA-N 320.396 3.009 0 40 DGAB COc1cccc(-c2noc(C(=O)N[C@H](C)c3ccccc3)n2)c1 1429937 VMBWIKVWNPJTBJ-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB Cc1cc(C)c2c(N)c(-c3nc4ccccc4c(=O)[nH]3)sc2n1 1430855 BFHVVOHMFMNQMA-UHFFFAOYSA-N 322.393 3.399 0 40 DGAB CC(C)OCCN1C(=O)N[C@@](C)(c2ccc(C(C)C)cc2)C1=O 25606722 LBTNTUWLMFXDQT-SFHVURJKSA-N 318.417 3.002 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)N(C)Cc3ccsc3)cc12 48103476 BXEAGFHJLLOZPG-UHFFFAOYSA-N 315.402 3.002 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4CCC(=O)C[C@]34C)[C@@H]1CC[C@H]2O 118928331 PRCPAPQMRSUFRB-NMCJAVFESA-N 304.430 3.138 0 40 DGAB O[C@@H](Cn1cnc2ccccc21)c1ccc(OC(F)F)cc1 58135406 OJJHLUMACGNPBE-HNNXBMFYSA-N 304.296 3.371 0 40 DGAB O=C(Cc1ccc2c(c1)CCO2)N(Cc1ccsc1)C1CC1 58194230 GJPLTTRCQLFFQR-UHFFFAOYSA-N 313.422 3.417 0 40 DGAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccncc3)C2)CC1 58174425 MVNNHEWKABFNIB-MRXNPFEDSA-N 316.449 3.057 0 40 DGAB CNC(=S)N(C)[C@]1(c2ccccc2Cl)CCCCC1=O 3321093 OUQXFCNETWTVPD-HNNXBMFYSA-N 310.850 3.115 0 40 DGAB COC(=O)c1oc(CN(Cc2ccccn2)C(C)C)cc1C 58223596 GKYNFONEHSGRER-UHFFFAOYSA-N 302.374 3.180 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2cn[nH]c2)c1 58279272 FHVNNYYOQVSBLT-CXAGYDPISA-N 313.401 3.150 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)NCCCCN1CCCC[C@@H]1C 58331090 REHZAXUZVBMPGG-KBPBESRZSA-N 321.465 3.166 0 40 DGAB NC(=O)c1ccc(C(=O)N(C2CC2)[C@H]2CCc3ccccc32)cc1 58430972 BHNLPKKJGWHCBO-SFHVURJKSA-N 320.392 3.078 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C2CCCC2)c1 48304318 KTIOPUUQIFVHRM-CYBMUJFWSA-N 302.418 3.021 0 40 DGAB CCOc1ccccc1C(=O)N[C@@H](CC(=O)O)c1cccs1 13389109 KUOYLONFHZHIMU-LBPRGKRZSA-N 319.382 3.093 0 40 DGAB CCc1ccc([C@@H]2C[C@H](C)CCN2CCCS(C)(=O)=O)o1 76145158 MRQVKNAMOWTNDE-HIFRSBDPSA-N 313.463 3.050 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 6125536 OYCVZLJRWLWZNI-GJZGRUSLSA-N 301.386 3.417 0 40 DGAB CCc1ccccc1OCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 8393082 SBXVIRGCUCOYFQ-CYBMUJFWSA-N 323.396 3.382 0 40 DGAB Cc1nc2ccc(NC(=O)N3C[C@@H](C)OC(C)(C)C3)cc2o1 65453678 ZGWMXRVSZUKRNA-SNVBAGLBSA-N 303.362 3.167 0 40 DGAB CCCCC[C@@H](C)NC(=O)CCC(=O)NCc1cccs1 4599961 CPIDTSNQRWJNDG-CYBMUJFWSA-N 310.463 3.230 0 40 DGAB O=C(NCC(F)(F)F)C1(c2ccccc2Cl)CCOCC1 69483939 IJVZNFJWEYKYDD-UHFFFAOYSA-N 321.726 3.067 0 40 DGAB CC(C)(C)SCCNC(=O)CCc1ccc2c(c1)OCCO2 113969716 GKSDBGHPLMNVJG-UHFFFAOYSA-N 323.458 3.038 0 40 DGAB CC(C)COCCC(=O)Nc1c(-c2ccc(F)cc2)ncn1C 69416921 JTYVSXRJFANDPN-UHFFFAOYSA-N 319.380 3.227 0 40 DGAB COc1ccc(F)cc1C(=O)C(=O)N(C)[C@@H]1CCCC[C@H]1C 69535226 BFNALIXLPLDVEY-BXUZGUMPSA-N 307.365 3.054 0 40 DGAB O=C(Nc1ccccc1F)N[C@H]1CCN(Cc2ccccc2)C1 8755952 OSFOQGZVJBXGMN-HNNXBMFYSA-N 313.376 3.222 0 40 DGAB COc1ccc(Cc2nnc(SC(=O)c3ccco3)o2)cc1 409390572 FJHWYBWYGGYOJW-UHFFFAOYSA-N 316.338 3.195 0 40 DGAB O=C(NC1CCCCCCC1)c1ccc(N2CCOC2=O)cc1 71898458 HOTKJAVQLHLPQU-UHFFFAOYSA-N 316.401 3.486 0 40 DGAB COc1ccc([C@H](CO)N(C)Cc2ncc(C(C)(C)C)o2)cc1 71904391 CJCQWKNFHGQTGG-HNNXBMFYSA-N 318.417 3.146 0 40 DGAB O=c1c(NCc2ccc(F)cc2)nccn1-c1cccc(F)c1 9639154 MEEYOGUJZYTGFE-UHFFFAOYSA-N 313.307 3.123 0 40 DGAB Cc1nnc(NC(=O)Cc2ccc(OCC(C)C)cc2)s1 84296665 MGDOWSXKPQBBGF-UHFFFAOYSA-N 305.403 3.063 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1ccc([S@@](C)=O)cc1 97104817 HLYWAQAHACHXQZ-NRFANRHFSA-N 304.371 3.082 0 40 DGAB O=C(NCCCOc1cccc2cccnc12)[C@H]1C[C@@H]1C1CC1 84493969 PEEDVEVHKRRJFH-CVEARBPZSA-N 310.397 3.166 0 40 DGAB CC(C)Oc1ncccc1CNCc1cccc(-n2cccn2)c1 95415409 PQJHRTMQWYVEHQ-UHFFFAOYSA-N 322.412 3.344 0 40 DGAB CNC(=O)c1cnc(/C=C/c2cccc(-c3cnn(C)c3)c2)s1 95447054 FJTWBBFLLAHXCO-VOTSOKGWSA-N 324.409 3.074 0 40 DGAB CN(C(=O)N[C@H]1CCC[C@H](C2CC2)C1)C1CCC(CO)CC1 95430523 LLENNUNRKHWPRK-DBGUYSSFSA-N 308.466 3.148 0 40 DGAB CCc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409230327 BZDDKNJJOXNDLL-SDNWHVSQSA-N 305.399 3.322 0 40 DGAB Cc1nnc(CNC(C)(C)c2ccc(C(C)(C)C)cc2)n1C 95984947 BKOORCVENVKEAZ-UHFFFAOYSA-N 300.450 3.446 0 40 DGAB C[C@H](c1ccccn1)N1CCN(c2ccncc2Cl)CC1 95980422 RVJXCXHLAVSTGD-CYBMUJFWSA-N 302.809 3.013 0 40 DGAB Cc1nc2cc(C(=O)N3c4ccccc4C[C@H]3C)ccc2n1C 74957550 JTPOEDVSFWJDTF-GFCCVEGCSA-N 305.381 3.473 0 40 DGAB O=C(NC[C@@H]1C[C@H]2C=C[C@@H]1C2)c1snnc1-c1ccccc1 170610784 HTNFDZYPJCNEPI-YUTCNCBUSA-N 311.410 3.147 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 408714519 SPOXAZPGNJTWKL-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB COc1ccc(CNc2ccc(Br)cn2)cc1OC 36750326 BXJJEZHHJYKLGN-UHFFFAOYSA-N 323.190 3.473 0 40 DGAB FC(F)(F)c1nn2c(Cc3ccccc3Cl)nnc2s1 71284335 FILQWRVDIYACDE-UHFFFAOYSA-N 318.711 3.449 0 40 DGAB COC(=O)c1ccc([C@@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71283324 ATOTWGIELBWITI-ZDUSSCGKSA-N 313.357 3.374 0 40 DGAB Cc1nnc(CN(CC(C)C)[C@@H]2CCCc3cccnc32)n1C 126964920 LNGDTAPDYLCUML-MRXNPFEDSA-N 313.449 3.054 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225643664 LKEWEIJUJFUXGN-CQSZACIVSA-N 315.442 3.452 0 40 DGAB Cc1nc2ncccn2c1-c1csc(-c2cccc(N)c2)n1 85397364 KRZWFPSIRFAWAM-UHFFFAOYSA-N 307.382 3.410 0 40 DGAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225737907 ZFDNNYKLRPDDIX-QGZVFWFLSA-N 323.389 3.074 0 40 DGAB CC(C)NC(=S)Nc1ccc(N2Cc3ccccc3C2)nc1 223875477 HULDRNRYUYBCCO-UHFFFAOYSA-N 312.442 3.297 0 40 DGAB Cc1nc(CC2CC2)oc1C(=O)N[C@@H]1C[C@H]1c1ccsc1 530001880 JJMUECNXXBZRSF-QWHCGFSZSA-N 302.399 3.283 0 40 DGAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(C)cc1 146268313 XTZNUWBCHRMNLE-UHFFFAOYSA-N 311.353 3.488 0 40 DGAB Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@@H]3c2ccccc2)o1 96199588 CGXVLZVCDZOZJQ-GOSISDBHSA-N 324.424 3.226 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccn(-c2ccc3ccccn23)n1 96155312 HVIQYGLEHOYCSB-AWEZNQCLSA-N 308.385 3.140 0 40 DGAB C[C@H](Sc1nc2ncccn2n1)c1ncc(C(C)(C)C)o1 96447681 QYLPIEDVKXDNQR-VIFPVBQESA-N 303.391 3.263 0 40 DGAB CCc1ccc([C@@H]2COCCN2Cc2cn3ccsc3n2)o1 96413016 IZMCRBYUZLEKFU-AWEZNQCLSA-N 317.414 3.125 0 40 DGAB CCOCCO[C@H](C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 96414180 ULGBACNGWVHOEG-HZPDHXFCSA-N 323.433 3.473 0 40 DGAB CCOC(=O)Nc1nn(C(=O)OCC)c2cc(Cl)ccc12 255187037 AWRAUHZSNZWIGT-UHFFFAOYSA-N 311.725 3.263 0 40 DGAB CCCn1cc(CN2CCC[C@@H](Cc3nccs3)C2)cn1 257246474 IUGHUEUQRZZPJV-AWEZNQCLSA-N 304.463 3.204 0 40 DGAB c1ccc(Nc2cc([C@@H]3CCCN3c3ncccn3)ccn2)nc1 257217131 CXOONOCIFQHXEK-HNNXBMFYSA-N 318.384 3.352 0 40 DGAB Cn1c(CN2[C@H]3CC[C@H]2c2ccccc23)nc2ccccc2c1=O 265752516 FTTBZJNCRYXUKE-ROUUACIJSA-N 317.392 3.325 0 40 DGAB O=C(O)[C@@H]1C[C@@H]1C(=O)N(Cc1ccsc1)c1ccccc1 262089609 HTWJRDLBWLEFAU-UONOGXRCSA-N 301.367 3.002 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56200649 QAMFLWPMEJPUET-JOYOIKCWSA-N 309.291 3.486 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)COC(C)C)c1nc2ccccc2[nH]1 58245432 HPHMKNZBEMPYIM-WBMJQRKESA-N 303.406 3.191 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2Cn2cccn2)c(C)n1C(C)C 69919039 KPSPHBFARCLPIS-MRXNPFEDSA-N 314.433 3.187 0 40 DGAB CN(C)Cc1cc(CNC(=O)CCc2cccs2)ccc1F 75139700 AJOHGQBASGHKJR-UHFFFAOYSA-N 320.433 3.198 0 40 DGAB C/C(=C\C(=O)NCc1ncc[nH]1)c1cccc(C(F)(F)F)c1 98056112 WZLIEFUFROMKFJ-JXMROGBWSA-N 309.291 3.148 0 40 DGAB C[C@@H]1CN(C(=O)NCCc2cccc(Cl)c2)CC2(CCC2)O1 575744189 HRWXYRBKCQBUHK-CYBMUJFWSA-N 322.836 3.236 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H]2CCCc3ccccc32)cc1 5442895 HURGBNDTQRLOQL-GOSISDBHSA-N 308.381 3.452 0 40 DGAB Cn1cc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)cn1 12232556 HTSNQJXUQIZNGK-OAHLLOKOSA-N 314.389 3.043 0 40 DGAB CCn1c(SCC(=O)Nc2ccccc2)nnc1C(C)C 13995559 DTCUQZVPIRPFCZ-UHFFFAOYSA-N 304.419 3.152 0 40 DGAB O[C@H](COCc1ccc(Cl)cc1)Cn1cnc2ccccc21 15346761 BTURLNYBSLUEJB-HNNXBMFYSA-N 316.788 3.267 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)[C@@H]1COc2ccccc2O1 3547870 DQCUXQFAQHMFKJ-AWEZNQCLSA-N 307.708 3.258 0 40 DGAB Cc1cccc2sc(N3CCC[C@H](NC(=O)C4CC4)C3)nc12 1888873385 XMLVEAUKFGRDMF-ZDUSSCGKSA-N 315.442 3.100 0 40 DGAB S=C(NC[C@@H]1CCCO1)NC1c2ccccc2-c2ccccc21 22270966 NKRBMUFPTJVFPJ-ZDUSSCGKSA-N 324.449 3.400 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(Cl)cc1 32667869 KQHFQCJKWQFANY-ZBEGNZNMSA-N 317.772 3.185 0 40 DGAB CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)c1ccc(CN)cn1 37593681 UHNNGDBVHLMPFM-UHFFFAOYSA-N 323.393 3.217 0 40 DGAB CC(C)CN1CC[C@@H]2CN(C(=O)c3sccc3F)C[C@@H]2CC1 2056223405 JSYNGOLVLJKMLZ-OKILXGFUSA-N 324.465 3.327 0 40 DGAB Oc1ccccc1-c1nnc(S)n1-c1cccc2ncccc12 9421959 QHLCVVLXLWWHND-UHFFFAOYSA-N 320.377 3.477 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1cccs1 13695904 DYWKEAGOGNRKOP-UHFFFAOYSA-N 312.394 3.300 0 40 DGAB CCC(CC)CN1CC[C@@H](OCC2CC2)[C@@H]1Cc1cnn(C)c1 2055718080 FVSWGMACBDHDKZ-RBUKOAKNSA-N 319.493 3.268 0 40 DGAB C[C@@H]1CCCCN1CCNc1nc(S)nc2ccccc12 2499687 UZXYPFJZCQUKEU-GFCCVEGCSA-N 302.447 3.205 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@H](N)C1 71790651 SHDNLRJVAIEXBN-BXUZGUMPSA-N 312.360 3.017 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)N(C)CC3CC3)cc2)C[C@@H](C)O1 50079896 OVGFVRBNQBOPMR-ZIAGYGMSSA-N 317.433 3.174 0 40 DGAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc[nH]c1=S 30688330 POCJQAUKTOUPSJ-UHFFFAOYSA-N 310.382 3.241 0 40 DGAB COc1ccccc1NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 40478325 VTAWLSSVXAFBAW-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1ccccc1-n1cccn1 40548563 ZZUZANRWMOYSIE-UHFFFAOYSA-N 318.336 3.195 0 40 DGAB Cc1cc(C)n(C(=O)c2ccc(COc3ccc(F)cc3)o2)n1 214961 BPLNNNQLWXPQEF-UHFFFAOYSA-N 314.316 3.500 0 40 DGAB O=C(Cc1ccccc1)N1CCN(c2ccc(Cl)cc2)CC1 483916 SJNXZCYZIJTMJS-UHFFFAOYSA-N 314.816 3.231 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccccc1 517203 POOSGWSOLUTHOS-SJFMBGHLSA-N 304.393 3.324 0 40 DGAB biogenic C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nncs1 804733 PABVGZJLARNOTP-ZCFIWIBFSA-N 318.185 3.251 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cc(F)ccc1F)OC2=O 1432742 XBQVXVQKRWGHBD-HZPDHXFCSA-N 309.312 3.025 0 40 DGAB O=c1c2ccccc2nnn1Cc1ccc(Cl)c(Cl)c1 3579137 YUBXAQGNGYKVKE-UHFFFAOYSA-N 306.152 3.147 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C(=O)N1Cc1ccccc1 4492002 LHVNCKKBACCNEW-NBMJBFSESA-N 319.404 3.474 0 40 DGAB Cc1cc2occ(CC(=O)OCC(=O)c3ccc[nH]3)c2cc1C 4493541 KARRXCQMTRICOP-UHFFFAOYSA-N 311.337 3.346 0 40 DGAB CCOc1cc(/C=C2\SC(=O)NC2=O)ccc1OC(C)C 4691366 DNUKQXVRINSOLR-JYRVWZFOSA-N 307.371 3.196 0 40 DGAB C[C@H]1C[C@H](C)CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 4731546 GJFBHIPQNDJNNZ-RYUDHWBXSA-N 301.839 3.148 0 40 DGAB O=C(COC(=O)c1n[nH]c2ccccc12)c1ccc2c(c1)CCC2 4822939 QRSNVXHFEZILHK-UHFFFAOYSA-N 320.348 3.091 0 40 DGAB Cc1ccsc1/C=c1/sc2nc3c(C)cccc3n2c1=O 5756100 VNSIWAAGXCILBZ-MDWZMJQESA-N 312.419 3.135 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1ccsc1 6423675 DXHPLYBHVJQHTL-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Br)cc1 6795013 UTGZDKZTBGAZPY-GHMZBOCLSA-N 311.223 3.357 0 40 DGAB O[C@@H](c1nnc(-c2ccccc2)o1)c1ccccc1OC(F)F 7002456 TUNXJTWEGFVOPX-CYBMUJFWSA-N 318.279 3.420 0 40 DGAB COc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)cc2C)C1=O 7212942 XIMYARHOGDCWHH-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB C[C@H](NC(=O)c1ccc(O)cc1)c1ccc(-n2ccnc2)cc1 7736369 BCRKXIKGCMUMQF-ZDUSSCGKSA-N 307.353 3.069 0 40 DGAB C[C@H](O)CNCc1ccc(OCc2ccccc2Cl)cc1 8498020 BSUNKQKPOXWKQA-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB CCc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC)cc1 8735219 PVOKDOQJNYRQSO-UHFFFAOYSA-N 305.381 3.461 0 40 DGAB CC(C)C(=O)N(Cc1ccco1)Cc1cc2ccccc2[nH]c1=O 9010418 DFACPEWNAZVPOP-UHFFFAOYSA-N 324.380 3.306 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 9954843 IMAGJQHLUBRVCV-UHFFFAOYSA-N 322.286 3.317 0 40 DGAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(F)c(F)c1 10197636 MACLZBJKKYMWHJ-UHFFFAOYSA-N 317.291 3.111 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCc2ccc(F)c(C)c2)c1 10551763 UQXKKJMFBUWDDH-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1F)c1cccs1 11373377 VABWQUVAIPPJAG-CYBMUJFWSA-N 324.352 3.232 0 40 DGAB COC(=O)COc1c(Cl)cc(Cl)c2ccc(C)nc12 12484541 LJZQMJBLQNLKKK-UHFFFAOYSA-N 300.141 3.402 0 40 DGAB Cn1c(SCc2nc(N)c3ccccc3n2)nc2ccccc21 12531719 ZHQHVHLPAFMDRT-UHFFFAOYSA-N 321.409 3.391 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)c2cccnc2-n2cccn2)cc1 12794076 LTEXAMIWKCTMGS-CQSZACIVSA-N 320.396 3.321 0 40 DGAB CN(C)[C@H](CNC(=O)c1cccc(Cl)c1)c1ccsc1 13011218 IUUXLUZHMQGWQD-CQSZACIVSA-N 308.834 3.434 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1ccc(F)c(F)c1 13265232 QEKDWYHAOOKXPL-YVEFUNNKSA-N 301.340 3.325 0 40 DGAB CCN1CCN(C(=O)c2ccccc2CCc2ccccc2)CC1 13688353 CRHATJHSIMJKEL-UHFFFAOYSA-N 322.452 3.250 0 40 DGAB CC(C)=CCC/C(C)=C\CC[C@@H](C)NCCN1CCNCC1 20159099 UDVLXVKLNWJVCX-PMEBHBLGSA-N 307.526 3.343 0 40 DGAB C[C@H]1CN(C2CCN(Cc3ccccc3Cl)CC2)C[C@H](C)O1 20329823 AZDORFUDLGFHJW-GJZGRUSLSA-N 322.880 3.414 0 40 DGAB CCc1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1 21800419 CSYAVGBGCGZEHK-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2ccccc2O)c1 21866392 UUXWELWJNLWGED-UHFFFAOYSA-N 322.158 3.416 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1)c1ccccc1F 24837629 LJMRVMXSLOEMPD-GOSISDBHSA-N 323.371 3.008 0 40 DGAB O=C(Nc1cnn(Cc2ccc(Br)cc2)c1)C1CC1 27920938 UIGVJECTMANWBQ-UHFFFAOYSA-N 320.190 3.042 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o1 28576131 FAWGNGHZAAVCHQ-NSHDSACASA-N 324.174 3.104 0 40 DGAB CCN(CCCN1C(=O)c2ccccc2C1=O)Cc1ccccc1 28628526 XXSXUFUJLDNHEC-UHFFFAOYSA-N 322.408 3.195 0 40 DGAB CC[C@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1OC 31615948 MBBICMRFLXEECR-AWEZNQCLSA-N 309.369 3.453 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1 32029500 DJBZQZAHOBLBFL-XHDPSFHLSA-N 323.820 3.444 0 40 DGAB COC(=O)c1cnc(NC(=O)CCSc2ccccc2)s1 32493867 IUYFQAZQOZAWSY-UHFFFAOYSA-N 322.411 3.051 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 34916225 RLQMXPYKJWVOCI-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB Cc1cc(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)ccc1Cl 37530402 ASCOOIJCINVEAP-YDHLFZDLSA-N 311.853 3.366 0 40 DGAB Cc1cnn(C)c1C(=O)Nc1nc(-c2cccs2)cs1 38506329 ANKIZQBNMUHDKM-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 40160423 CPCVGLUXXOSELE-UHFFFAOYSA-N 321.735 3.196 0 40 DGAB COc1ccccc1CN(C)C(=O)COc1ccccc1Cl 44849944 XAZJTOSCZMDPCU-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB O=C(NCCc1cccnc1)N1CCC[C@@H]1c1ccsc1 44967864 VJHCAJJDKZKYEW-OAHLLOKOSA-N 301.415 3.232 0 40 DGAB CC(=O)C1(O)[C@H]2c3ccccc3[C@@H]1c1c(F)c(F)c(F)c(F)c12 45071350 MCHIODWBMPJXOS-GTKHYJCHSA-N 322.257 3.154 0 40 DGAB CCn1c2ccccc2c2cc(NC(=O)C(=O)NC3CC3)ccc21 48625675 LCHDZFPDHXLETH-UHFFFAOYSA-N 321.380 3.032 0 40 DGAB O=C(/C=C/c1ccccc1Cl)Nc1ccc2c(c1)CC(=O)N2 49506637 HDPSMUXKPDHLHM-VMPITWQZSA-N 312.756 3.487 0 40 DGAB C[C@@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 52835777 NDEOVGPWKDUGOJ-LBPRGKRZSA-N 316.788 3.198 0 40 DGAB O=C(c1cc(Cl)sc1Cl)N1CCO[C@H]2CCC[C@H]21 53376140 ZCCIASCKDAVAEB-BDAKNGLRSA-N 306.214 3.448 0 40 DGAB Cn1cnn(CN[C@@H](c2ccc(F)cc2)C(C)(C)C)c1=S 57087817 HBMJVOBZWVMEFX-ZDUSSCGKSA-N 308.426 3.425 0 40 DGAB O=C(Nc1nccs1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 57197506 PEINLQPMLNBPGW-STQMWFEESA-N 321.377 3.324 0 40 DGAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 57561996 DJLFODMVSWPYJO-TXEJJXNPSA-N 303.406 3.463 0 40 DGAB Cc1nn(C)cc1CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 57811086 LNHXBVHXYXVWNR-SFHVURJKSA-N 317.408 3.049 0 40 DGAB Cc1cc(NC(=O)CCc2c(C)noc2C)n(-c2ccccc2)n1 58203504 ZDGSTCNOYACFTL-UHFFFAOYSA-N 324.384 3.357 0 40 DGAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccccc1F 60357317 WLCURRBFCCGFKO-CYBMUJFWSA-N 301.427 3.462 0 40 DGAB CC(=O)N1CCC2(CCN(Cc3ccc(Cl)cc3)CC2)C1 63527794 YVONZAGBVFEOHI-UHFFFAOYSA-N 306.837 3.174 0 40 DGAB O=C1N[C@H](c2csc(-c3cccs3)n2)Nc2ncccc21 69351124 BUKTVEYDDNHPQK-GFCCVEGCSA-N 314.395 3.121 0 40 DGAB CSc1sc(NC(=O)c2ccc(CN(C)C)cc2)nc1C 69527874 WVYSUDZAUSZLEP-UHFFFAOYSA-N 321.471 3.487 0 40 DGAB Cc1csc(C2CCN(C(=O)CCc3ccco3)CC2)n1 69587077 DFWJWVRNHSQMTN-UHFFFAOYSA-N 304.415 3.383 0 40 DGAB O[C@H](CNc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1 69843734 DXRSFRVIISNYNH-SNVBAGLBSA-N 317.698 3.294 0 40 DGAB O=C(NCC(F)(F)F)[C@@H](OC1CCCC1)c1ccccc1 71185161 AOQOMRWVOPMCAH-ZDUSSCGKSA-N 301.308 3.365 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(CC)cc2)cc1 72228099 GMIBBJHGJMBNKH-ROUUACIJSA-N 310.397 3.063 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)no1 72232172 YFKBEIPESHYBFA-ZIAGYGMSSA-N 303.406 3.255 0 40 DGAB Cc1nn(Cc2ccc(F)cc2)c(=O)c2cc3sccc3n12 72334578 RJKCMWQSXVPLFM-UHFFFAOYSA-N 313.357 3.207 0 40 DGAB c1ccc(-c2noc([C@@H]3CCN(Cc4cccnc4)C3)n2)cc1 72369819 YIDVCSXXHXSMFX-MRXNPFEDSA-N 306.369 3.121 0 40 DGAB COCCn1ccc2c(NC(=O)c3c(C)noc3C)cccc21 72403952 KRLYQLYBVRHCOW-UHFFFAOYSA-N 313.357 3.145 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@@H]1CCc2ccc(F)cc21 73059698 FSIBQVJSWKUDFL-BJOHPYRUSA-N 317.364 3.478 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2cc(C)cc(C)c2)CC1 73743196 LAZCAVZAUDLEMG-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB O=C(Nc1ccccc1F)N1C[C@@H](O)C[C@H]1C1CCCCC1 75613024 QCQMHSUAXNTFPW-BBRMVZONSA-N 306.381 3.373 0 40 DGAB Cc1ccccc1-n1nccc1NC(=O)[C@@H]1C[C@@H]1c1cccnc1 79094850 NHWJTHCNHRXKLG-HZPDHXFCSA-N 318.380 3.318 0 40 DGAB COc1c(F)cc(NC(=O)Nc2cnn(CC(C)C)c2)cc1F 80170331 HHWOPLDVJRLHEO-UHFFFAOYSA-N 324.331 3.470 0 40 DGAB C[C@@H](C(=O)Nc1cc(C2CCOCC2)[nH]n1)c1ccccc1F 81094344 FIWMMUWPAWFWQT-LLVKDONJSA-N 317.364 3.185 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNc2ccc(-n3ccnn3)cc2)o1 89656139 JLAVOYGCKFZEMP-UHFFFAOYSA-N 320.356 3.171 0 40 DGAB Cc1ccn2ncc(C(=O)N3CCCCC[C@@H]3c3ccco3)c2n1 95399033 DWPLEZIHTSJPQF-OAHLLOKOSA-N 324.384 3.388 0 40 DGAB CN(Cc1ccncc1)C(=O)[C@H]1CCCCN1Cc1ccccc1 95400369 OFWBHFNYPLTBPJ-LJQANCHMSA-N 323.440 3.095 0 40 DGAB COc1ccc([C@H]2CCN(c3nnc(C4CC4)s3)C2)cc1 95428476 LARHUGDGFNQIJT-ZDUSSCGKSA-N 301.415 3.418 0 40 DGAB Cc1noc(C)c1CC[S@@](=O)[C@H]1CCc2c(F)cccc21 95439221 DLWITDPAPRXLPJ-KKSFZXQISA-N 307.390 3.409 0 40 DGAB CCC1(NC(=O)c2nc(-c3ccco3)sc2C)CCOCC1 95445795 HGDMQHPKJNLJAZ-UHFFFAOYSA-N 320.414 3.401 0 40 DGAB COC(=O)[C@H]1CCCCC[C@H]1NCc1nc2ccccc2o1 95941450 GPMDUHNDQJMJCB-QWHCGFSZSA-N 302.374 3.039 0 40 DGAB COC[C@@H]1c2c(cnn2CC2CC2)CCN1Cc1cccs1 96197851 QPLYZOZSBPMBTF-MRXNPFEDSA-N 317.458 3.100 0 40 DGAB COc1ccc(-c2nc(-c3cnn(C)c3)cs2)cc1OC 96421293 AMOZBELSOXBJGU-UHFFFAOYSA-N 301.371 3.228 0 40 DGAB O=C(Nc1ccsc1)[C@H]1CCCN(C(=O)NC2CCCC2)C1 96444744 IWWVQVPSPPTPGH-LBPRGKRZSA-N 321.446 3.051 0 40 DGAB CCc1cnccc1C(=O)N1CCC[C@H](NCc2ccccc2)C1 97034987 PRARJXUNDBDESZ-SFHVURJKSA-N 323.440 3.038 0 40 DGAB CCC[C@H](NC(=O)CC(=O)NC)c1ccc(Cl)c(Cl)c1 97097236 IWGZEFQLHGQZDG-LBPRGKRZSA-N 317.216 3.087 0 40 DGAB 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@@]2(C)O 118927100 RNPQQCQDRWIESD-SWZZCJHLSA-N 320.473 3.320 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4CC[C@@H](C4=C(C)C)[C@@H]3C2=O)c1 169311373 NVUNITSESMJPAG-MVJTYMMSSA-N 323.392 3.371 0 40 DGAB C[C@@H]1COc2ccccc2N1C(=O)c1cc(-c2cccnc2)on1 175356207 AQWWFDJLKGHJIV-GFCCVEGCSA-N 321.336 3.164 0 40 DGAB CO[C@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[C@@H]1C 190256508 YDKCOJIIMINRIS-SJCJKPOMSA-N 316.401 3.094 0 40 DGAB Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)NC[C@@H](C)O 192495986 ZNRFSGJAYPKXEB-HIFRSBDPSA-N 318.442 3.020 0 40 DGAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1cccc(Cl)c1 225318193 LIUMZDWFHGCOBY-UHFFFAOYSA-N 321.735 3.206 0 40 DGAB CCCSc1nnc(NC(=O)Cc2ccccc2F)s1 225452353 CZFLBOFZCTZBGS-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2cccc(C)n2)cc1 225563568 FKQHOZGYAQUFAD-UHFFFAOYSA-N 301.415 3.064 0 40 DGAB Cc1nc(C(=O)N2c3ccc(Br)cc3C[C@H]2C)co1 225890274 ONARLSJFTDABMB-MRVPVSSYSA-N 321.174 3.337 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cn(-c2ccc(F)cc2)cn1 226753850 ZAPMEQRWCGFXJG-UHFFFAOYSA-N 313.307 3.081 0 40 DGAB C=CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@@H](C)CC[C@H]1C(C)C 255189891 SVCGWMBVZDVRFL-NXOAAHMSSA-N 322.493 3.280 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(CC(C)C)C2)n1 257278601 OCWLKCUHWPYTCZ-ZDUSSCGKSA-N 317.462 3.430 0 40 DGAB CC(C)C(=O)N1CCC(c2nc(CC3=CCCC3)no2)CC1 273776228 RVSFPBLHLATZGQ-UHFFFAOYSA-N 303.406 3.084 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 408706648 BRPCTIVSMZTHEG-ZDUSSCGKSA-N 308.397 3.405 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)Cc1nc2c(s1)CCC2 678811839 GJHPGFQNHAKESI-UHFFFAOYSA-N 316.426 3.035 0 40 DGAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1cnc(Cl)cc1Cl 1565550131 QTNOYXPJSOHSAX-SBMIAAHKSA-N 315.200 3.028 0 40 DGAB O=C(O)CC(=O)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl 1601886210 AYZSILCEIPOJOH-INIZCTEOSA-N 321.735 3.159 0 40 DGAB Cn1c(N2CC3(CC(c4ccccc4)C3)C2)nc2cccnc21 1775970505 OSGSSNCTIUVHDP-UHFFFAOYSA-N 304.397 3.352 0 40 DGAB C1CCC(CN[C@H]2CCc3onc(CN4CCCC4)c3C2)CC1 2055739189 NUJSLWIVBDFHLF-INIZCTEOSA-N 317.477 3.298 0 40 DGAB Cc1cccc(C)c1Nc1ncnc2c1ncn2C[C@@H]1CCCO1 2087045484 NDYUXHXAGQSJLL-AWEZNQCLSA-N 323.400 3.366 0 40 DGAB O=C(CCc1ccccn1)Nc1cc(C(F)(F)F)ccc1O 81458639 PUIKSLSBVAXIJG-UHFFFAOYSA-N 310.275 3.377 0 40 DGAB CCCNC(=O)c1cccc(NC(=O)N(C)Cc2ccco2)c1 45738329 VCKYVVLEBBPTFX-UHFFFAOYSA-N 315.373 3.083 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2cnc3ccccc3n2)cc1 428047 LZRSWERFWVAYBF-UHFFFAOYSA-N 321.336 3.059 0 40 DGAB Cc1nc(NC(=O)COc2ccccc2)ccc1Br 515019 AAZFQUDSXGPPJM-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB CCn1c(SCc2ccccc2C)nnc1-c1cnccn1 523727 FPJOEEFGEZDSLP-UHFFFAOYSA-N 311.414 3.356 0 40 DGAB COc1ccccc1OCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 29278539 WWRCWNOTHQMVFN-UHFFFAOYSA-N 323.352 3.103 0 40 DGAB C[C@H](Nc1nc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 29401420 HQXBLXYECYGNEU-NSHDSACASA-N 316.382 3.404 0 40 DGAB Cc1nc(CCNC(=O)CCc2ccc(Cl)cc2)cs1 29550943 AUCWRYGKXFFUIX-UHFFFAOYSA-N 308.834 3.396 0 40 DGAB O=C(CP(=O)(O)CC(=O)c1ccccc1)c1ccccc1 3121500 SNSGDTLUMBRCLO-UHFFFAOYSA-N 302.266 3.023 0 40 DGAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c(C)c1 316498 UZISMCOGTBERDU-IBGZPJMESA-N 309.365 3.025 0 40 DGAB C[C@@H](OC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 2649649 BQBRRYBFQMZKGG-CQSZACIVSA-N 301.386 3.239 0 40 DGAB COc1cccc(CC(=O)NCCc2csc(C(C)C)n2)c1 69696743 KSTCHHBNDPOSBE-UHFFFAOYSA-N 318.442 3.177 0 40 DGAB Cc1cc(OCC(=O)Nc2cccc(C(=O)O)c2)ccc1Cl 10776567 PKJWUKLFUFFSDF-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1ccc2oc(C(=O)Nc3nnc(C)s3)c(C)c2c1 8405718 WXIBRVKCXDEBJG-UHFFFAOYSA-N 303.343 3.162 0 40 DGAB C[C@H](O)CN(C(=O)C(=O)c1ccc(Cl)cc1)C1CCCCC1 69700792 QJKAYNWSBFICDI-LBPRGKRZSA-N 323.820 3.065 0 40 DGAB c1ccc(CCn2c(CN3CCOCC3)nc3ccccc32)cc1 21785164 VSITWFVBMCBAER-UHFFFAOYSA-N 321.424 3.111 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)s2)on1 22911280 JBZNRARGXUMWAJ-VIFPVBQESA-N 313.810 3.157 0 40 DGAB Cc1ccsc1CNC(=O)CSCc1c(C)noc1C 23137768 KYXNISUHVWOIEM-UHFFFAOYSA-N 310.444 3.211 0 40 DGAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccoc1 23880892 LOBDZECLFHKAMV-UHFFFAOYSA-N 305.284 3.297 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1COc2ccccc2C1 16959208 XJBQAEKLVAPPBL-SJFHUFEGSA-N 311.425 3.323 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 56517456 LRKHIOSVJRAHJW-SOUVJXGZSA-N 319.449 3.183 0 40 DGAB C[C@H](NCc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 25364907 CTTWKDHPDWHEAR-LBPRGKRZSA-N 314.339 3.396 0 40 DGAB CC(C)c1cccc(O[C@@H](C)C(=O)N(C)C2CCN(C)CC2)c1 56057487 SPWIDOHVTCHHCG-HNNXBMFYSA-N 318.461 3.130 0 40 DGAB O=C(Nc1cc(Cl)ccc1NC1CC1)[C@H]1C[C@H]2CC[C@H]1O2 107589387 FRJCDBVPNLUYPZ-TYNCELHUSA-N 306.793 3.420 0 40 DGAB COc1ccc(CNc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 35287237 QUSKXTAAADWUNJ-UHFFFAOYSA-N 303.749 3.130 0 40 DGAB c1ccc(Cn2nc(CNC3CC3)c(-c3ccccc3)n2)cc1 35287300 XHTAEIQKBNXWGA-UHFFFAOYSA-N 304.397 3.245 0 40 DGAB C[C@H]1CN(C(=O)NCc2ccco2)C[C@@H](c2ccsc2)O1 89936975 CMMNYBYGERPHOB-FZMZJTMJSA-N 306.387 3.013 0 40 DGAB Cc1cccc(S(=O)(=O)N[C@@H]2CCc3cc(C)ccc32)c1 57019671 UOFBKYFFUJQYEE-QGZVFWFLSA-N 301.411 3.269 0 40 DGAB C[C@@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 26303295 GRFHJNDLCJPKIR-OAHLLOKOSA-N 324.428 3.242 0 40 DGAB CCC[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1F 89949735 ZAEMJLXBMVKZBZ-GHJWDPDVSA-N 324.371 3.042 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)N[C@H]1C[C@H]2CC[C@H]1O2 108105610 KAYRQOUGKRMBSZ-YYIAUSFCSA-N 300.402 3.147 0 40 DGAB Cc1nnc(SCc2cc(O)n(-c3ccccc3C)n2)s1 10157389 UZYDJOAJLIIEAP-UHFFFAOYSA-N 318.427 3.339 0 40 DGAB CCC(O)(CC)CNC(=O)N[C@H](C)Cc1cccc(Cl)c1 57615321 OWVZDMMPIZCRSJ-GFCCVEGCSA-N 312.841 3.121 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1ccc(-n2ccnc2)cc1 24050829 JETDIGAVGWYEFT-UHFFFAOYSA-N 317.392 3.334 0 40 DGAB CCOC(=O)[C@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1 3201385 BLWHGJLXBJKRNY-GOSISDBHSA-N 324.332 3.476 0 40 DGAB CCOCCSc1nnc2cc(C)c3ccc(OC)cc3n12 58152714 LYVOVGYLKKFWQD-UHFFFAOYSA-N 317.414 3.328 0 40 DGAB COCc1ccccc1C(=O)NCCCOc1ccc(F)cc1 58290350 IQVMGWRLJXIPQE-UHFFFAOYSA-N 317.360 3.171 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)Nc1ccc2ncccc2c1 58329192 RAAGXDGHVKGHMS-UHFFFAOYSA-N 313.401 3.116 0 40 DGAB COc1ccc(OS(=O)(=O)c2c(C)cc(C)cc2C)cc1 58704234 JOCGDRGBANHBPP-UHFFFAOYSA-N 306.383 3.388 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)cc1 28611268 MDWOJLFATWYURX-UHFFFAOYSA-N 315.344 3.113 0 40 DGAB CN(Cc1cc(Br)cs1)C(=O)c1ccccn1 48069564 BDNWBTDTNSOYTH-UHFFFAOYSA-N 311.204 3.178 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc3ccc(OC)cc3[nH]2)c1 48263247 RFKRDUQDWLSLNJ-UHFFFAOYSA-N 324.336 3.215 0 40 DGAB CCn1cc(NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cn1 24577347 JGZXFDSTBTZOFT-UHFFFAOYSA-N 321.446 3.246 0 40 DGAB C[C@H](Cn1cccn1)NCc1csc(Cc2ccccc2)n1 69414571 VZBQECNRMQOSBM-CQSZACIVSA-N 312.442 3.109 0 40 DGAB Cc1[nH]ncc1C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 69485682 OBYVMKNUSVVALZ-ZWNOBZJWSA-N 309.291 3.023 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 62865203 PLSRGSMAMNXPSJ-LLVKDONJSA-N 318.398 3.369 0 40 DGAB CCOc1ccc(C(=O)OCc2cc3ccccc3[nH]c2=O)cc1 5177475 DDXDBRPGVYMACW-UHFFFAOYSA-N 323.348 3.284 0 40 DGAB COc1ccc(CCNC(=O)CCOc2ccc(C)cc2)cc1 6375644 YHGPJGVGOJFKKC-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB Cc1cccn2c(CNC3CCC4(CCNCC4)CC3)cnc12 67740958 UZOAFVHDFNFYFB-UHFFFAOYSA-N 312.461 3.045 0 40 DGAB O=C([C@H](c1ccccc1)n1cccn1)N1CCc2ccccc2C1 65535825 FGYHZERRKCZGBE-IBGZPJMESA-N 317.392 3.057 0 40 DGAB CC(C)N1CCc2c(sc3c2C(O)=N[C@H](c2ccc[nH]2)N3)C1 4555303 QTLYIIYFAAOBHL-AWEZNQCLSA-N 316.430 3.272 0 40 DGAB C[C@H]1CN(Cn2nc(-c3ccccc3F)oc2=S)C[C@H](C)O1 14238658 MWXIQWPJWMCPQS-QWRGUYRKSA-N 323.393 3.078 0 40 DGAB CC(C)NC(=O)CCc1nc2ccccc2n1-c1ccccc1 6650650 UYPYBHNZAUMMAN-UHFFFAOYSA-N 307.397 3.483 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3C)oc12 67292624 GHZGKCYPUXKJBI-VZCXRCSSSA-N 322.364 3.390 0 40 DGAB O=C(Nc1ccccn1)c1nn(-c2ccccc2)c2c1CCC2 9157567 XNKZVCVEXNIBPO-UHFFFAOYSA-N 304.353 3.008 0 40 DGAB CC(C)NC(=O)[C@@H](C)Sc1ncc(-c2ccccc2)n1C 7131175 ISRUHBPJEHPXTD-GFCCVEGCSA-N 303.431 3.092 0 40 DGAB CCOCc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)o1 8982588 YKFLLIGMFOVEDR-UHFFFAOYSA-N 317.341 3.163 0 40 DGAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1Cl 7597588 WRSUDNQZIPNULW-BDJLRTHQSA-N 317.772 3.357 0 40 DGAB CC(C)N(Cc1ccccc1)S(=O)(=O)c1ccc(Cl)nc1 16094013 ANRHSAZLFCYTMP-UHFFFAOYSA-N 324.833 3.334 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)[C@H]2CC=CCC2)cc1 16001158 MAGOJXQBSBSVSC-AWEZNQCLSA-N 300.402 3.463 0 40 DGAB CCc1ccc2c(CNc3cccc(CO)c3)cc(=O)oc2c1 72120240 WLYQVUUSRAPSRO-UHFFFAOYSA-N 309.365 3.460 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCOC1 71921746 MRGAQFQKMJSOIJ-ONGXEEELSA-N 307.699 3.096 0 40 DGAB O=C(Cc1ccsc1)Nc1nc(-c2ccccn2)cs1 9884737 GKEMHPAPNWWOBC-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccncc1 27979372 GANLNOGHQPZADW-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB Cc1ccc(NNC(=O)c2ccc(NC3CC3)nc2)cc1Cl 84183084 YIDJARAGAPWGKM-UHFFFAOYSA-N 316.792 3.375 0 40 DGAB C[C@H]1C[C@H](OC(=O)C2c3ccccc3Oc3ccccc32)C(=O)O1 72274604 LBZDDBAUOMWBSB-ZBEGNZNMSA-N 324.332 3.171 0 40 DGAB CC(=O)Nc1ccc(CCNCc2ccc(F)cc2F)cc1 78411696 NOMYWSWQLGJYEA-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB COC(=O)CCCC(=O)N1CCC[C@@H]1c1ccccc1Cl 97060119 UMLXJTMZMWXXJZ-CQSZACIVSA-N 309.793 3.347 0 40 DGAB COc1cc(C2(C(=O)NC3CCOCC3)CCCC2)ccc1C 78666210 RTFCFHZDVAXFSK-UHFFFAOYSA-N 317.429 3.111 0 40 DGAB CSc1c(F)cc(NC(=O)N(C)C[C@@H]2CCCO2)cc1F 97107736 BCRVFRCNWUVYPB-JTQLQIEISA-N 316.373 3.329 0 40 DGAB CCc1nc([C@H](C)NCc2nc(-c3ccco3)no2)cs1 97112271 LNVQTZXWCRAMMU-VIFPVBQESA-N 304.375 3.199 0 40 DGAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Nc1ccncc1 72414383 ZEJGPWHBCRJRQP-UHFFFAOYSA-N 320.414 3.323 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1COc2ccccc21 95396682 ZVIYSDIBXJITMN-OAHLLOKOSA-N 305.337 3.191 0 40 DGAB COc1cc(Cl)c(NC(=O)NCc2ccn(C)c2)cc1OC 95406649 CUVFMKFZOCKDLI-UHFFFAOYSA-N 323.780 3.017 0 40 DGAB Cc1cc(CNC(=O)N[C@@H](C)C2CCOCC2)cc(C)c1F 95416816 MXEBRRDIJQFNMH-ZDUSSCGKSA-N 308.397 3.057 0 40 DGAB Cc1ccn2c(NC(=O)[C@@H]3C[C@H]3c3ccccc3C)nnc2c1 88253331 ANVSAHMQXLXERT-LSDHHAIUSA-N 306.369 3.088 0 40 DGAB O=C(CC[C@H]1CCCOC1)Nc1cc(Cl)cc2c1OCC2 95944387 DXHIMPZMXVJCNL-LLVKDONJSA-N 309.793 3.420 0 40 DGAB O=C(Nc1ccccc1Oc1ccccc1)c1cc[nH]c(=O)c1 74716001 LRGZXMGAAOBMCV-UHFFFAOYSA-N 306.321 3.420 0 40 DGAB Cc1ccc(C(C)C)c(OC[C@@H](O)CNCc2ccco2)c1 9970627 FGVZKHBHOQAUHM-HNNXBMFYSA-N 303.402 3.241 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)c2ccc(-c3ccco3)[nH]c2=O)o1 75125375 HXDFNSXTKXJMMS-LLVKDONJSA-N 312.325 3.027 0 40 DGAB COc1ccc([C@H](C)OCS(=O)(=O)c2ccccc2)cc1 3847541 HTPIYXMZNLFLIY-ZDUSSCGKSA-N 306.383 3.204 0 40 DGAB biogenic O=C(Nc1ncccc1O)c1ccc2[nH]c3c(c2c1)CCCC3 32721943 WCTCYTMZFKIXTF-UHFFFAOYSA-N 307.353 3.400 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 72227980 HRHQAAAKUDMQAK-ZIAGYGMSSA-N 307.180 3.409 0 40 DGAB C[C@H](CNC(=O)c1cc(F)ccc1F)N(C)c1ccccc1 36397815 RVEVCCZPSZODIH-GFCCVEGCSA-N 304.340 3.220 0 40 DGAB Cc1ncc(/C=C/C(=O)N[C@H](C)COc2ccccc2F)s1 78996277 QEWVYQWKTKRXLF-WSKFYRRCSA-N 320.389 3.188 0 40 DGAB O=C(c1cnc(O)c2ccccc12)N1CC2(CCC2)[C@H]1C1CC1 558632348 QXQPAQNXONDTND-MRXNPFEDSA-N 308.381 3.345 0 40 DGAB O=C(Nc1nccs1)N[C@H]1CCCN(c2ccccc2F)C1 135445972 IRWCPJOIEKVEJD-NSHDSACASA-N 320.393 3.073 0 40 DGAB CO[C@H](CNC(=O)N[C@@H](C)c1c(C)noc1C)c1ccccc1 73043164 VTHIQIRPICWRCB-XHDPSFHLSA-N 317.389 3.039 0 40 DGAB COCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)cc1 225590646 FVRHTAPOHFSZHN-UHFFFAOYSA-N 312.580 3.021 0 40 DGAB O=C(c1cc(F)c(F)c(F)c1)c1ccc(C2OCCO2)s1 198663121 IGONMTMACONOSV-UHFFFAOYSA-N 314.284 3.442 0 40 DGAB Fc1cc2ncn(Cc3nc(-c4ccco4)no3)c2cc1F 192831579 GHTVXDZWOUDSPG-UHFFFAOYSA-N 302.240 3.006 0 40 DGAB CC(C)OCCCNC(=S)Nc1ccc2sncc2c1 225172994 KKZMHZBRZURFFK-UHFFFAOYSA-N 309.460 3.398 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@@H](C)c1cnn(C(C)C)c1 96486737 WJHKWQBFJDYSCD-RYUDHWBXSA-N 317.437 3.175 0 40 DGAB CCn1cc2c(n1)CN(Cc1ccoc1)C[C@H]2COCC1CC1 96060419 GXUICFSACFNQPA-INIZCTEOSA-N 315.417 3.022 0 40 DGAB CC(=O)Nc1cccc(CN(C)Cc2ccc(Cl)nc2)c1 96452936 ZYTATLAJVUSJCA-UHFFFAOYSA-N 303.793 3.325 0 40 DGAB CC[C@H](C(=O)Nc1cnn(C2CCOCC2)c1)c1ccccc1 96104589 HXFRECHDFOGLSN-KRWDZBQOSA-N 313.401 3.367 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@H]3c2ccccc2)o1 96100242 QRVOZRGYSFUXSM-SFHVURJKSA-N 324.424 3.384 0 40 DGAB CCNC(=O)N1CCc2ccc(NC(=O)C3(C)CCCC3)cc21 96425346 PSUHPTDCQGSKHV-UHFFFAOYSA-N 315.417 3.297 0 40 DGAB C[C@H]1CN(CCC2CCN(CCC(F)(F)F)CC2)C[C@@H](C)O1 96455933 WLRKIMFQKLSMGH-OKILXGFUSA-N 322.415 3.150 0 40 DGAB O=C(Nc1ccc(NCc2cnon2)cc1)N1CCCCCC1 583651226 JDPVWKXQSYMPQZ-UHFFFAOYSA-N 315.377 3.090 0 40 DGAB CN(CCC(F)(F)F)C(=O)Nc1ccc(C(C)(C)C)nn1 96476183 NUONNJIHTOPASS-UHFFFAOYSA-N 304.316 3.190 0 40 DGAB C/C(=C\c1ccccc1)CN1CCN(c2ncccc2F)CC1 536696603 XMBMWZZPCXUBDV-JQIJEIRASA-N 311.404 3.446 0 40 DGAB c1ccc2cc(CN3CCO[C@@H](c4cnccn4)C3)ccc2c1 257313637 UTLFSOYBSCMBAV-LJQANCHMSA-N 305.381 3.203 0 40 DGAB Cn1cc(SCCCC(=O)Nc2cc(F)ccc2F)cn1 257173609 SFJLCDYVFRAKIY-UHFFFAOYSA-N 311.357 3.209 0 40 DGAB Cc1cc(Nc2nc(C)cs2)nc([C@@H]2CCCN(C)C2)n1 257209391 BQECITBXRFDPKL-GFCCVEGCSA-N 303.435 3.103 0 40 DGAB Cn1c(COC(=O)CCSc2ccccc2)cnc1Cl 585135764 APDVXIJXCQALCR-UHFFFAOYSA-N 310.806 3.299 0 40 DGAB C=CC(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 585292790 SHGIAUKKHLXHPP-OAHLLOKOSA-N 322.412 3.187 0 40 DGAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1 58161080 KRCQTGZVZPLBRQ-NEPJUHHUSA-N 324.877 3.174 0 40 DGAB C[C@@H]1C[C@H]1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889995 JBRJVMFHVMPYHY-BXUZGUMPSA-N 302.349 3.429 0 40 DGAB Cc1cccc(N2CCN(c3nnc(C4CC4)s3)CC2)c1C 301702367 UFPJXMFQPGQSNF-UHFFFAOYSA-N 314.458 3.359 0 40 DGAB Cc1cc(C(=O)N2CCC(CSCc3ccco3)CC2)no1 85472465 VHPOQTRRGJXFFF-UHFFFAOYSA-N 320.414 3.362 0 40 DGAB COC(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 1904937 QVRYEPSONOKKOG-UHFFFAOYSA-N 307.396 3.337 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCOCC1 19878981 ORRPPIQZKSMRDI-LJQANCHMSA-N 307.397 3.293 0 40 DGAB Cc1nc2cc(NC(=S)NC(=O)c3cccs3)ccc2[nH]1 6694159 XZPAWANLNSREIU-UHFFFAOYSA-N 316.411 3.060 0 40 DGAB CCCCC(=O)N1CCC[C@@](O)(COc2ccc(F)cc2)CC1 2037912565 ORUHDXSJVXKUGQ-SFHVURJKSA-N 323.408 3.138 0 40 DGAB O=c1[nH]c(Nc2ccccc2)nnc1Cc1ccccc1Cl 8553738 HUOQFXZOCQJRQF-UHFFFAOYSA-N 312.760 3.153 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1ccsc1 1775965885 NSHKKEHUGJAMQE-LLVKDONJSA-N 303.339 3.065 0 40 DGAB O=C(NCc1cc(C2CC2)ncn1)c1cc2ccccc2s1 585361199 XZNDABWHFUFSTK-UHFFFAOYSA-N 309.394 3.499 0 40 DGAB CCSc1nc2[nH]c(-c3ccc4ccccc4c3)cc(=O)n2n1 101397151 YHVFNEHWZIVSGO-UHFFFAOYSA-N 322.393 3.350 0 40 DGAB CC[C@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 40514180 ZQOMIGJCNCLPTK-LBPRGKRZSA-N 319.430 3.379 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)c1csc(-c2ccc(F)cc2)n1 40500944 JJULAXGYALKZDR-WDEREUQCSA-N 320.389 3.199 0 40 DGAB CC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccc(Cl)cc1Cl 226173 GKPFYCPDYDOIQH-WDEREUQCSA-N 320.197 3.041 0 40 DGAB COCCOCc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 69181580 GHJBTIVUIMUTGD-OAHLLOKOSA-N 318.417 3.327 0 40 DGAB CCc1ccccc1NC(=O)C1=NN(c2ccccc2)C(=O)CC1 536608 QGVYRDKMUFTYRW-UHFFFAOYSA-N 321.380 3.371 0 40 DGAB CCCCc1nc(CN2CCC[C@H](C3OCCO3)C2)cs1 69292852 ACKPGZKQZPMQAG-ZDUSSCGKSA-N 310.463 3.071 0 40 DGAB CS(=O)(=O)N1CCS[C@@H]1c1ccc(Cl)cc1Cl 796496 XLQMDPFTWNTLQZ-SNVBAGLBSA-N 312.243 3.000 0 40 DGAB CC1(C)CN(C(=S)N2CC(C)(C)SC2=O)C(=O)S1 1589306 VGEOAVXEAUDLTH-UHFFFAOYSA-N 304.462 3.166 0 40 DGAB Cc1nn(CC(C)C)c(Cl)c1/C=C/C(=O)NCc1ccco1 20888829 JIILWFYBZIGMOO-VOTSOKGWSA-N 321.808 3.424 0 40 DGAB Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)no2)cc1 32624217 JFNXNSSROQWJEA-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB CCCC(=O)Oc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1 4997900 HCJSLIQJRYGCCM-SFHVURJKSA-N 311.337 3.213 0 40 DGAB COc1cc(C(N)=O)cc(Cl)c1OCc1ccc(C)cc1 6300146 WABRJAVCKBZEII-UHFFFAOYSA-N 305.761 3.335 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)o1 7746454 KGEFZZVTWCTPPL-ZBINZKHDSA-N 307.390 3.137 0 40 DGAB O=S(=O)(Nc1ccncc1Cl)c1ccc(Cl)s1 69366867 YWLYUVNLUGLCDT-UHFFFAOYSA-N 309.199 3.251 0 40 DGAB Cc1nc2n(n1)[C@@H](c1ccccc1)C=C(c1ccccc1O)N2 10156718 IZBGDZOHRVZUKI-MRXNPFEDSA-N 304.353 3.348 0 40 DGAB O=C1NC(c2cccc(F)c2)=N/C1=C\c1ccccc1Cl 2756869 DAIOWTYYBMCSOC-ZROIWOOFSA-N 300.720 3.397 0 40 DGAB C[C@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CCO1 103444902 SNEUEJSGOYDAJH-JKSUJKDBSA-N 324.424 3.401 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1cc(F)ccc1C 12321004 BKWPJRLCYNIOLQ-INIZCTEOSA-N 317.316 3.432 0 40 DGAB Cc1nc2scc(C)n2c1CNc1ccc(C(=O)O)cc1 37414530 WFLYDEBHGJSGDX-UHFFFAOYSA-N 301.371 3.323 0 40 DGAB Cc1c(C)n(C[C@H](O)Cn2ccnc2C)c2c(Cl)cccc12 12421918 MOKAOEXRKLOEBX-CQSZACIVSA-N 317.820 3.478 0 40 DGAB COC(OC)c1ccnn1-c1ncc(C(F)(F)F)cc1Cl 3134784 CGOHJGLTCRUVJN-UHFFFAOYSA-N 321.686 3.231 0 40 DGAB CN1CCN(c2nc(C34CC5CC(CC(C5)C3)C4)cs2)CC1 23386439 CIKNPXNQGBQAQX-UHFFFAOYSA-N 317.502 3.363 0 40 DGAB O=C(Nc1cccc(OCCn2ccnc2)c1)C1CCCCC1 42706640 XRZIQWJWPWFJBR-UHFFFAOYSA-N 313.401 3.481 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)NCCc2ccsc2)c1 43034934 YBTOWTZUZOWHHL-ZDUSSCGKSA-N 319.426 3.021 0 40 DGAB COc1ccc(CC(=O)Nc2ccccc2OC(F)F)cc1 3293642 UOTUCZDWUUAUDH-UHFFFAOYSA-N 307.296 3.478 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2[C@H](C)c2nc(C3CC3)no2)c1 106908067 SAONDQLQHXDCQR-UKRRQHHQSA-N 315.421 3.068 0 40 DGAB CCC[C@@](C)(NC(=O)c1csc2c1CCCC2)C(=O)OC 35249713 NHMZSMVHEQVWNE-MRXNPFEDSA-N 309.431 3.089 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)N[C@@H](C)c2ccncc2)cc1 27406521 URNDWKLQRLDSIF-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB CC(C)(C)NC(=O)c1ccc(NC(=O)OCC(F)(F)F)cc1 57985257 BGHXTHUUKVKIOE-UHFFFAOYSA-N 318.295 3.326 0 40 DGAB CCc1nnsc1C(=O)NC[C@H](c1ccccc1)C(C)C 27629426 BLIWULFUJKPPAU-ZDUSSCGKSA-N 303.431 3.270 0 40 DGAB CC(=O)Nc1cccc2c1N(C(=O)COc1ccccc1)CCC2 58265849 QCGHRQITMZUHKX-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCc3ccccc32)cc1C 10752417 OQZDBCSYTXKMPV-KRWDZBQOSA-N 301.411 3.269 0 40 DGAB CCc1noc(CSc2nc(/C=C/c3cccs3)n[nH]2)n1 12781849 SBFAIFFKMVENSD-AATRIKPKSA-N 319.415 3.274 0 40 DGAB COc1ccc(CCNC(=S)c2cccc(OC)c2)cc1 408571986 DREQEHUOBLUWKY-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB CCC[C@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccccc1 48229255 PCXWYGJZBDTRNY-CJNGLKHVSA-N 314.385 3.056 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1C[C@H]1c1cccc(F)c1 62648666 SNSHAOSKHBGIFH-RYUDHWBXSA-N 318.377 3.232 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2C)c1C 3587703 LPTRPAURZLVRBC-UHFFFAOYSA-N 313.353 3.182 0 40 DGAB CCOC(=O)c1ccoc1CN1CCC[C@@H]1c1cc(C)no1 69445105 VKIZIDVPENKLKM-CYBMUJFWSA-N 304.346 3.090 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@H]1CN1CCCC1 63704757 JDRVZCANCBCXBZ-OKZBNKHCSA-N 316.420 3.016 0 40 DGAB CN(C)c1cccc(C(=O)N2CCC(c3ccncc3)CC2)c1 8602037 ZBBDZXWFKWVHPX-UHFFFAOYSA-N 309.413 3.167 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](CC(C)C)NC(=O)C(F)(F)F 408720391 MVMFVOWGTOZNFV-GFCCVEGCSA-N 316.323 3.027 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(F)c1 14182313 DWPXDBCIPRNAMM-ZDUSSCGKSA-N 324.359 3.240 0 40 DGAB C/C=C/C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5463467 WMYYHPMAVQTGFK-CDAZIORVSA-N 301.264 3.152 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1cccnc1 14555872 WUQAZMGLJZTCMD-UHFFFAOYSA-N 323.396 3.350 0 40 DGAB O=C(Cc1cccs1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 66707583 MDIFOVCNJMOVOK-HNNXBMFYSA-N 323.364 3.169 0 40 DGAB O=C(NCCSCc1ccccc1F)c1ccc(O)cc1 8945078 WMDXYWOSXMVMBG-UHFFFAOYSA-N 305.374 3.195 0 40 DGAB Cc1ccc2c(c1)CCCN2[C@@H](C)C(=O)NCc1ccccc1 7214182 DDNWJKMPBPIBHI-INIZCTEOSA-N 308.425 3.453 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1ccc2nsnc2c1 15841190 ZQQAMSRMVXNSCI-UHFFFAOYSA-N 319.773 3.362 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)Nc2ccccc2)c(C)c1 16031314 QZXHIHUZLBVTHX-UHFFFAOYSA-N 311.385 3.454 0 40 DGAB CCCCOc1ccc(C(=O)OCC(=O)c2ccc[nH]2)cc1 7786675 ZBVLPDWIRKHWRV-UHFFFAOYSA-N 301.342 3.233 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1c(C)cccc1C 7863347 OGYRWSMQQFQTKR-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1cc(F)ccc1F 8106071 ARMIDCOVPBJTDX-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB CC[C@@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)N(C)C 96007779 RSBRMWMKSQLWHA-CYBMUJFWSA-N 305.422 3.024 0 40 DGAB COC[C@@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)C1CC1 93352381 NAZOCFZWAUJQIL-GFCCVEGCSA-N 324.331 3.047 0 40 DGAB CCC(=O)Nc1cccc(C(=O)N2CCS[C@@H](C(C)C)C2)c1 96432249 PXKNDAJIPSPIDO-OAHLLOKOSA-N 320.458 3.249 0 40 DGAB Cc1ccc(-n2ncc3c(N4CCCC4)ncnc32)cc1Cl 9532246 DOEHSRPJEHKAJX-UHFFFAOYSA-N 313.792 3.378 0 40 DGAB CC[C@@H](COC)NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 89943603 GDKGTEWEQMGFPE-ZBFHGGJFSA-N 319.449 3.072 0 40 DGAB COCc1ccc(C(=O)N2CCSC[C@@H]2c2ccccc2)o1 72286096 VGWWEDFBYIWJGC-OAHLLOKOSA-N 317.410 3.356 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNC2CCN(CC(C)C)CC2)o1 97159588 BTAWIEGNDOTGDF-UHFFFAOYSA-N 316.449 3.188 0 40 DGAB CC[C@H](N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 95466882 LZSYJUBSSDPRNL-AWEZNQCLSA-N 312.866 3.160 0 40 DGAB Cc1nc(CSc2ccccc2S(C)(=O)=O)sc1C 95427635 FRJRRCITYGIYAA-UHFFFAOYSA-N 313.469 3.456 0 40 DGAB COc1ccc(CN2CCCN([C@H]3CC[C@H](C)C3)CC2)cc1 95455301 NJINLYLLAGYQDW-WMZOPIPTSA-N 302.462 3.392 0 40 DGAB CCN(C)CCNC1CCC(O)(c2ccc(C(C)C)cc2)CC1 95454549 LKEAHLDGFYSEDG-UHFFFAOYSA-N 318.505 3.482 0 40 DGAB Cc1cnc(CC(=O)N(C)[C@H](C)c2sc(C)nc2C)s1 95451523 WWTBIGBLHNLPNB-SNVBAGLBSA-N 309.460 3.287 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N(Cc1ccco1)C[C@H]1CCCO1 95429532 YYYYWVFJBRCRAR-CYBMUJFWSA-N 308.765 3.083 0 40 DGAB Cc1cc(=O)c(C(=O)N2CCc3cc(C(C)(C)C)ccc32)c[nH]1 73229266 QIYADKYOGAJFPH-UHFFFAOYSA-N 310.397 3.184 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)[C@@H](C)Oc2ccccc2)s1 79737960 ZWLCJBJONQAKQT-GFCCVEGCSA-N 304.415 3.270 0 40 DGAB O=C1NC2(CCCC2)C(=O)N1Cc1cc2ccccc2s1 95992510 XYYIQCNALVFQEN-UHFFFAOYSA-N 300.383 3.266 0 40 DGAB CC[C@@H](C)Oc1cc(C(=O)N(C)Cc2nc(C)cs2)ccn1 95991092 BAWQZHNSVOYSAJ-GFCCVEGCSA-N 319.430 3.296 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 89754997 PYKGHUKTWONPCX-YPMHNXCESA-N 315.870 3.104 0 40 DGAB COc1ccc(OC)c(-c2cc(-c3ccccc3)nc(N)n2)c1 71977626 VRGBJHURVAFAPK-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB CC(=O)Oc1ccccc1/C=C/c1nc2ccccc2c(=O)o1 4546570 RGKCDMDLYUUHKL-ZHACJKMWSA-N 307.305 3.284 0 40 DGAB COc1ccc(C(=O)n2c(C)c(C=O)c3ccccc32)cc1OC 216958601 MDMYSMQPBLNAJB-UHFFFAOYSA-N 323.348 3.468 0 40 DGAB C[C@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccncc1 78520093 SUJIMWBFDXWKDM-NSHDSACASA-N 323.318 3.390 0 40 DGAB NCC1(c2cc(-c3ccc(Br)cc3)on2)CCC1 72220673 WPQUUQOCWMRFJF-UHFFFAOYSA-N 307.191 3.485 0 40 DGAB c1cnc(Nc2nccc([C@@H]3CCCN3C3CCCCC3)n2)cn1 72377354 NXGBRVGXGVGITF-INIZCTEOSA-N 324.432 3.480 0 40 DGAB COc1cc2cc(CNc3ccccc3)c(=O)[nH]c2cc1OC 85346563 XVATYBKUIDQZJX-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB CCN(C(=O)[C@H](C)C(=O)O)[C@H](C)c1cccc(C(F)(F)F)c1 574452947 NGWIKFZBXMPQOI-VHSXEESVSA-N 317.307 3.336 0 40 DGAB FC(F)c1nc(N2CC[C@]3(CCCNC3)C2)c2ccccc2n1 575029879 VAQCISKAPFVEHB-KRWDZBQOSA-N 318.371 3.147 0 40 DGAB C[C@@H](NCCCn1ccnc1)c1cc(Br)cs1 193939276 OZOJVXJXMACJIP-SNVBAGLBSA-N 314.252 3.448 0 40 DGAB Cc1ccc2ncc(CN(C)Cc3cn(C)nc3C(C)C)n2c1 93867393 GEWLOKBSFNDFKW-UHFFFAOYSA-N 311.433 3.132 0 40 DGAB CC[C@H](NC(=O)NCCc1ccc(F)cc1F)c1ccncc1 96440154 XLJPTQOWPHTFIA-INIZCTEOSA-N 319.355 3.353 0 40 DGAB CC(C)(C)c1ncc(C(=O)N2CCc3c(F)cc(F)cc32)cn1 585083738 DNFKAPTWSVHXKS-UHFFFAOYSA-N 317.339 3.255 0 40 DGAB Cc1cc(N2CCC[C@@H]2c2nc(C)cc(C(F)(F)F)n2)ncn1 257227786 FQWGKMWOXYHMNN-LLVKDONJSA-N 323.322 3.244 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)no1 257289654 PZPSIRQLQNDOST-AWEZNQCLSA-N 316.405 3.272 0 40 DGAB Cc1nccc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257269180 MOWYAOYLYCJREG-LJQANCHMSA-N 321.424 3.180 0 40 DGAB Cc1ccc(CN(CCO)Cc2cc(-c3ccccc3)on2)o1 390834706 ROIHABQFWGHBAC-UHFFFAOYSA-N 312.369 3.238 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1cccc(Cl)c1Br 719458994 BIOJLTPSINKYCR-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB CCO[C@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1 575402610 CRJKHKHWAGQCDD-MRXNPFEDSA-N 323.396 3.031 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 585102609 CAEJJRKMYFHADR-MRXNPFEDSA-N 307.409 3.233 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)CC(C)(C)C)cc1 48908465 LUMHPOIJXNHGKX-ZDUSSCGKSA-N 304.434 3.267 0 40 DGAB CC(C)CCSc1nnc(CNC(=O)c2ccccc2)o1 5107219 SSXOIHXVDYOUAA-UHFFFAOYSA-N 305.403 3.138 0 40 DGAB COc1cccc(CSc2nc(C)cc(C)c2C(N)=O)c1 14112710 RKFJHJYWCNRXGQ-UHFFFAOYSA-N 302.399 3.098 0 40 DGAB CC(=O)c1cccc(NC(=S)NC(=O)/C=C\c2ccccc2)c1 17024816 YSAGXLHPCOMVTG-KHPPLWFESA-N 324.405 3.416 0 40 DGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)cc1 169690649 IEOCZOQZXTVXMY-LVYXFOGZSA-N 321.376 3.147 0 40 DGAB Cc1nnc(SCc2nc(-c3ccccc3C)no2)s1 7192622 SNPQSFPPHVVCDD-UHFFFAOYSA-N 304.400 3.497 0 40 DGAB FC(F)(F)c1ccnc(OC2CCN(C3CCCC3)CC2)n1 1888834188 GFOLONZPKCBSFC-UHFFFAOYSA-N 315.339 3.281 0 40 DGAB O=C(Nc1nnc(SCc2ccccc2F)s1)C1CC1 6237381 NPWYHXGIVJRFSK-UHFFFAOYSA-N 309.391 3.318 0 40 DGAB COC(=O)Nc1ccc2c(c1)N(C(=O)c1ccccc1)CCC2 13959211 ACVYWPSFWDOMJB-UHFFFAOYSA-N 310.353 3.458 0 40 DGAB CN(C)c1cccc(C(=O)NCc2cncc(-c3ccoc3)c2)c1 575620523 OADZGCAMZCTJQC-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB C[C@H](NC(=O)c1ccccn1)c1cccc(Br)c1 40069407 XEBPVJHOMPXHKB-JTQLQIEISA-N 305.175 3.335 0 40 DGAB CCN(C(=O)CCNC(=O)NC1CCCCC1)c1ccccc1 40059519 DNLUMZLMARUIOI-UHFFFAOYSA-N 317.433 3.062 0 40 DGAB Clc1nc(NCc2ccccc2)nc(NCc2ccco2)n1 278559 FVKXUIYKAXPCHC-UHFFFAOYSA-N 315.764 3.342 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(C)o1 69601366 FRBDTGHNDFXITC-RRQGHBQHSA-N 304.434 3.085 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)cc1 7400658 YJGWCZCAMQTTNS-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c1 2663999 AUJBECVZNVHWMP-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(OC)c1 32876659 BNSQMAVQDMPBPM-ZDUSSCGKSA-N 322.364 3.149 0 40 DGAB Cc1cc2ncc(-c3ccc(Br)cc3)c(N)n2n1 8569781 GDFSJQQIVSOMNZ-UHFFFAOYSA-N 303.163 3.049 0 40 DGAB C[C@H]1CCc2noc(NC(=O)COc3ccc(Cl)cc3)c2C1 11915727 OFEVMCPFNBJGSV-JTQLQIEISA-N 320.776 3.470 0 40 DGAB CCOC(=O)N[C@@H](CNC(=O)c1cc(C)ccc1C)CC(C)C 32914569 QKLCMYZERVQUPV-OAHLLOKOSA-N 320.433 3.194 0 40 DGAB CC(C)c1noc([C@H](C)Nc2cccc(N3CCCC3=O)c2)n1 46814961 LZHBVBQQQJSEPZ-LBPRGKRZSA-N 314.389 3.493 0 40 DGAB O=C(NCCc1ccccc1F)NCCc1ccccc1F 54046527 XAKCKDKHSPRVNC-UHFFFAOYSA-N 304.340 3.049 0 40 DGAB O=C(c1cccs1)N1CCC([C@H](O)c2ccccc2)CC1 23384231 XLDFFFGHPVHEGH-MRXNPFEDSA-N 301.411 3.334 0 40 DGAB COc1ccc2nc(SCC(=O)N(C)C3=CCCC3)[nH]c2c1 42678685 SYWFYWSNUVYQAE-UHFFFAOYSA-N 317.414 3.190 0 40 DGAB Cc1cccc([C@H](CC(=O)N[C@@H](C)CCC(C)C)NC(N)=O)c1 24463480 IAMQPSBUHFLLIP-HOCLYGCPSA-N 319.449 3.035 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCc2ccccc21 43359891 LFERZVMVUSLJAY-LBPRGKRZSA-N 300.387 3.225 0 40 DGAB O=C1[C@@H]2CCC[C@@H]2N1CN(C1CC1)[C@@H]1CCCc2ccccc21 106919223 FLHDTFIVLISWIP-QRVBRYPASA-N 310.441 3.497 0 40 DGAB COCCN(C)C(=O)N[C@H]1CCSc2ccc(Cl)cc21 56816889 SNXBJSXJQFFQHB-LBPRGKRZSA-N 314.838 3.165 0 40 DGAB CC(=O)c1cc(C(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)n(C)c1 44231360 WZUUSSGOCQJCCB-NEPJUHHUSA-N 316.323 3.079 0 40 DGAB CCn1nc(C)c(C(=O)Nc2ccc(-n3ccnc3C)cc2)c1C 28243282 HCHMKAUQXZCIBE-UHFFFAOYSA-N 323.400 3.266 0 40 DGAB CC[C@@H](OC(=O)c1cc(C)cc(C)c1)C(=O)Nc1cc(C)on1 12600769 WEJGAABJDFYWNT-CQSZACIVSA-N 316.357 3.174 0 40 DGAB Cc1cc(C)cc(NC(=O)COc2cccc3c2CCC3=O)c1 10197701 GISRRVBYENBGQC-UHFFFAOYSA-N 309.365 3.450 0 40 DGAB Cc1cccc2c1N[C@@H](c1cnn(-c3ccccc3)c1)NC2=O 27578252 ZYNYDRISNIJMMP-QGZVFWFLSA-N 304.353 3.035 0 40 DGAB CC(=O)N(C)c1ccc(NC(=O)/C=C/c2csc(C)n2)cc1 58201384 SRQWERNEKYPORS-RMKNXTFCSA-N 315.398 3.086 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc2ccccc2[nH]1 58215228 XVHFCWMLXVULTB-UHFFFAOYSA-N 304.353 3.316 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc(C3CC3)nn2C(C)(C)C)no1 44949821 GHNXPOVADVQJND-UHFFFAOYSA-N 316.405 3.084 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)o1 44949456 OMJQDAMLKOCLMK-QWHCGFSZSA-N 321.446 3.313 0 40 DGAB Cc1cc(C(=O)NCc2cc3ccccc3[nH]2)c2c(C)noc2n1 58901191 RUOYSXCULQIGOS-UHFFFAOYSA-N 320.352 3.251 0 40 DGAB O=C(NCCC(=O)N1CCC[C@H]1c1ccsc1)C1CCCC1 48278201 SLQPZALDCVHRGH-HNNXBMFYSA-N 320.458 3.108 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)NCc1ccc(C)cc1 12815324 KHFUTMFNXXJQEA-UHFFFAOYSA-N 311.381 3.065 0 40 DGAB COc1cc(C(=O)Nc2ccc(C(C)=O)cc2)cc(OC)c1C 3479585 KPZACTMALAUXEO-UHFFFAOYSA-N 313.353 3.467 0 40 DGAB Cc1cccc(-c2nnc(-c3ccc(C(=O)N(C)C)cc3)o2)c1 12913009 HMYUHSBTUHPFKU-UHFFFAOYSA-N 307.353 3.414 0 40 DGAB COc1ccccc1CN(C)Cc1nc(O)c2sccc2n1 12984338 ZOSZFWMFRBLKLT-UHFFFAOYSA-N 315.398 3.038 0 40 DGAB CC(C)(C)N1C(=O)C[C@H](C(=O)O)[C@H]1c1ccc(Cl)c(F)c1 70271591 OCIIVILFDNJYOS-TVQRCGJNSA-N 313.756 3.252 0 40 DGAB in-vitro Cc1cc2c(F)c(Oc3ncnn4cc(O)c(C)c34)ccc2[nH]1 3937939 NBBOVDMBSDVVFP-UHFFFAOYSA-N 312.304 3.464 0 40 DGAB CC[C@H]1COCCN1Cc1ccc(F)c(Br)c1 49595598 SZRCDLQOHRGXPZ-NSHDSACASA-N 302.187 3.199 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)n1C(C)C 69849165 NNJYVRBACSJGFV-KRWDZBQOSA-N 314.433 3.397 0 40 DGAB CC(C)=CC(=O)N(C)C1CCN(c2ncnc3ccccc23)CC1 69972345 CAHMRYXNNPDQNP-UHFFFAOYSA-N 324.428 3.023 0 40 DGAB Cc1nc2c(C)cccc2c(O)c1CN(C)C1CCN(C)CC1 8911506 ICMLQTCESOZVLB-UHFFFAOYSA-N 313.445 3.083 0 40 DGAB CCOc1ccc(-c2nc(CN[C@@H](C)COC)cs2)cc1 7004729 JNHXBIFZNYTFSM-LBPRGKRZSA-N 306.431 3.333 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)CCc1c(C)noc1C 8983907 TZZTVHNGKJALHK-UHFFFAOYSA-N 316.357 3.039 0 40 DGAB CNc1nnc(SCCOc2ccccc2Cl)s1 7102115 SPQUBRYEMDWWIO-UHFFFAOYSA-N 301.824 3.404 0 40 DGAB O=C(COc1ccccc1F)Nc1ccccc1N1CCCC1 7107195 SWLHYNBYZDVJOT-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB CN1CCN(c2ccc(Cl)cc2NC(=O)CC(C)(C)C)CC1 7814346 JOXQWMUQTPPERJ-UHFFFAOYSA-N 323.868 3.467 0 40 DGAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccsc2)nc1C 9114294 SOCOJLKZSOQCPI-SNAWJCMRSA-N 322.411 3.342 0 40 DGAB CC(=O)N1CCCCC[C@@H]1c1noc(-c2ccc(F)cc2)n1 96001373 UTQLFPGLUFIGLO-CQSZACIVSA-N 303.337 3.339 0 40 DGAB O=C1N[C@@H](c2ccccc2Br)Nc2ccccc21 9737686 FQGFFRUYSHLDDP-ZDUSSCGKSA-N 303.159 3.303 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)NCCCc2ccc(O)cc2)C1 96462973 FLHXUXPFSHUSEK-GDBMZVCRSA-N 322.474 3.250 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)Nc1ccnc2ccnn12 71888858 MFNCAMZTJFPSID-UHFFFAOYSA-N 319.368 3.172 0 40 DGAB C[C@@H](NCc1noc(C2CC2)n1)c1ncc(-c2ccccc2)o1 97112306 WMOWTAQPQCPSAW-LLVKDONJSA-N 310.357 3.453 0 40 DGAB O=C(c1cn2ccccc2n1)N(C[C@H]1CCOC1)c1ccccc1 78584703 WAWPYRPTIAKXDN-OAHLLOKOSA-N 321.380 3.018 0 40 DGAB O=C(NC[C@H](O)c1ccc(F)cc1)[C@H]1CCCc2ccccc21 78684675 FRWMOALLEXKKJM-ROUUACIJSA-N 313.372 3.095 0 40 DGAB CN1CCCN(C(=O)C2(C)CCOCC2)c2cc(Cl)ccc21 78877258 OAEOCSDLTJTTPV-UHFFFAOYSA-N 322.836 3.330 0 40 DGAB Cc1cccc2c(CCNC(=O)NC3CCSCC3)c[nH]c12 78942278 QAEQSQQPOJVZCN-UHFFFAOYSA-N 317.458 3.214 0 40 DGAB Cc1n[nH]cc1CNc1cnc(Cl)c(Br)c1 95990286 STNZXETULWRJMM-UHFFFAOYSA-N 301.575 3.141 0 40 DGAB CCc1noc(C)c1NC(=O)[C@H](c1ccccc1)N(C)CC 95985581 MXDNBAJTFNRAOO-INIZCTEOSA-N 301.390 3.177 0 40 DGAB CCNC(=O)c1ccc(NCc2csc(CC)n2)c(C)c1 86202313 JAEQUVFNTCDODR-UHFFFAOYSA-N 303.431 3.376 0 40 DGAB Cc1cccc(OCC(=O)NCCCN(C)c2ccccc2)c1 23428175 HHKSCFCYJUTCBE-UHFFFAOYSA-N 312.413 3.017 0 40 DGAB O=C(/C=C/c1ccc(-c2ccccc2F)s1)N1CCOCC1 29511339 KCMPXKCWQFGUJN-SOFGYWHQSA-N 317.385 3.426 0 40 DGAB COc1ccccc1CNC(=S)c1cccc(OC)c1OC 408575231 TWDOTHAUBGJGGR-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 36635750 RMBPCWQJJFKETQ-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 72227973 CCUIYCTZMBUXPJ-KGLIPLIRSA-N 307.180 3.409 0 40 DGAB COc1ccc(Cl)cc1N1CC[C@@H](NCc2ccccn2)C1 78979915 ICNWXGBNWPWXEV-OAHLLOKOSA-N 317.820 3.112 0 40 DGAB N[C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1cccs1 72227118 VROHEIWMFYHSQD-VXGBXAGGSA-N 312.316 3.182 0 40 DGAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1 72228945 BKNMDBWLESDILY-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB C[C@@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 72203964 ICKLJMZYXGJZHD-ZIAGYGMSSA-N 305.422 3.132 0 40 DGAB CSCc1cccc(NC(=O)CCCn2ccnc2C)c1 71890203 VKWVXWKPHOWQHL-UHFFFAOYSA-N 303.431 3.473 0 40 DGAB CCN(Cc1ccc2[nH]ccc2c1)C(=O)NCCc1cccnc1 225530563 LQQAZBWXPQSVTB-UHFFFAOYSA-N 322.412 3.337 0 40 DGAB CCOc1cc2nn(-c3ccc(OC(C)C)cc3)nc2cc1N 226265114 MVZISPOAAUNFHE-UHFFFAOYSA-N 312.373 3.189 0 40 DGAB CC[n+]1cc(Br)cc(-c2nc3cc(N)ccc3o2)c1 226778064 RFVAHTOCALTCLI-UHFFFAOYSA-N 319.182 3.147 0 40 DGAB CC(=O)c1cc(Cl)c(Cl)cc1OCC(=O)NCC1CC1 193100703 PLUPPWLJQCWRFY-UHFFFAOYSA-N 316.184 3.101 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CC 225162275 GQOOGBJYMHAPQB-INIZCTEOSA-N 304.434 3.038 0 40 DGAB Cn1nc2c(c1CNC(=O)c1cc3ccccc3s1)CCC2 225817846 JAIWVQLJSFFVJA-UHFFFAOYSA-N 311.410 3.054 0 40 DGAB CCCCNC(=O)Nc1ccc2c(c1)c(OC(C)C)nn2C 227164816 ZIZBPNRAKCJRPM-UHFFFAOYSA-N 304.394 3.282 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NC[C@@H](C)Cc1cccs1 96440850 RJHNTDCBKOPGCY-NSHDSACASA-N 321.446 3.373 0 40 DGAB CC(=O)c1cccc(NC(=O)NC[C@@H]2CCO[C@H]2C(C)C)c1 96454090 RYBARDJCVFYEOZ-HOCLYGCPSA-N 304.390 3.072 0 40 DGAB Cc1nc([C@@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)cs1 96410682 JLMHCBFIPVQWIZ-BTKVJGODSA-N 323.443 3.072 0 40 DGAB c1cc(COC[C@@]23CCC[C@@H]2CN(Cc2ccoc2)C3)ccn1 96218346 XSSUYHYVNIHYQJ-MOPGFXCFSA-N 312.413 3.494 0 40 DGAB O=C(NCc1cccs1)N(Cc1ccco1)C1CCOCC1 96025032 PUEQGNNGEUKKRH-UHFFFAOYSA-N 320.414 3.232 0 40 DGAB CO[C@@H]1CSC2(C1)CN(C(=O)c1oc3ccccc3c1C)C2 253592442 ZMYGBNGTJAZLLL-LBPRGKRZSA-N 317.410 3.088 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 68727115 RQHIVFSSWTUNDP-UHFFFAOYSA-N 322.368 3.133 0 40 DGAB COc1ccccc1N1CC[C@@H](CNC(=O)C[C@H](C)C2CC2)C1 69420598 ZYUMRDKJAKTWSA-GJZGRUSLSA-N 316.445 3.074 0 40 DGAB COCc1c(Br)cccc1NC(=O)[C@@H](C)SC 69590113 RCLQXMSGIXFIJL-MRVPVSSYSA-N 318.236 3.286 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCO3)cn1 69564736 HJYOSASNIOGTPP-OAHLLOKOSA-N 310.353 3.096 0 40 DGAB CC1CCC(N(C(=O)CSc2nncs2)C2CC2)CC1 70039050 WHYLQTMNFQKMFT-UHFFFAOYSA-N 311.476 3.200 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 71186020 GOZLMWPZLUVTLH-GOSISDBHSA-N 311.429 3.378 0 40 DGAB O=C(OC[C@@H]1CCCO1)c1ncoc1-c1ccccc1Cl 76090265 BTSYVPSIMVIOCG-JTQLQIEISA-N 307.733 3.331 0 40 DGAB O[C@@H](CNC1CCSCC1)c1cccc(C(F)(F)F)c1 107713723 JGQAJMOVLNPZQT-ZDUSSCGKSA-N 305.365 3.224 0 40 DGAB CC1CCN(CCCNC(=O)CCSc2ccccc2)CC1 13671003 UWXFTDNVXXJJBT-UHFFFAOYSA-N 320.502 3.407 0 40 DGAB COc1cc2c(cc1OC)[C@H]1C[C@H](O)[C@@H](CC(C)C)CN1CC2 13983450 WEQLWGNDNRARGE-UAGQMJEPSA-N 319.445 3.030 0 40 DGAB world c1cc2c(c(Nc3c4c(nc5ncnn35)CCC4)c1)CCCC2 15786694 BYDMVLOMROQGDV-UHFFFAOYSA-N 305.385 3.235 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 34916279 YJUKGGWEUQJVFI-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 3271278 CFDKYNPTUZGLLM-UHFFFAOYSA-N 312.398 3.282 0 40 DGAB CCN1C(=O)c2ccccc2N[C@@H]1c1c[nH]nc1-c1cccnc1 30543365 LLHNPKZADXANFU-KRWDZBQOSA-N 319.368 3.058 0 40 DGAB COC(=O)c1ccc(OCCOc2ccc(F)cc2)c(OC)c1 40159344 ISCQXSIQSJXEJN-UHFFFAOYSA-N 320.316 3.079 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2ccc(F)cc2)o1 5268452 MZWRBSVKLRABHW-UHFFFAOYSA-N 315.279 3.196 0 40 DGAB COc1cc(S(=O)(=O)Oc2ccc(F)cc2)c(C)cc1C 1775978179 ODDANHAECILJQK-UHFFFAOYSA-N 310.346 3.219 0 40 DGAB O=S(=O)(c1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CCC1)C2 1775970988 MANVFBVWHYHWOV-HOTGVXAUSA-N 303.427 3.483 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1ccc2ccccc2n1 575619226 IXXKCURUIOTKBS-UHFFFAOYSA-N 303.365 3.437 0 40 DGAB Cc1cccnc1OCC1CCN(c2ncc(Cl)cn2)CC1 585525783 CKACNJWZNYACBO-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 4987970 WRXPPANOWYQWCJ-HXUWFJFHSA-N 323.392 3.017 0 40 DGAB Cc1ccc(N2C(=O)CCS[C@@]23C(=O)Nc2ccccc23)cc1 33972 DWORARQWIXXBCR-SFHVURJKSA-N 324.405 3.270 0 40 DGAB CC(C)C(=O)Nc1ccc(CNC(=O)NC2CCCC2)cc1 30987391 SMVQPTCASWTQRF-UHFFFAOYSA-N 303.406 3.023 0 40 DGAB COc1ccc(N2C(=O)[C@H](C)[C@@H](Cc3ccc(C)cc3)C2=O)cc1 100539007 VBULHFYJIXMMEF-RDTXWAMCSA-N 323.392 3.372 0 40 DGAB Cc1ccc(-c2nnc(COc3cc(C)ccc3C(N)=O)o2)cc1 31609794 MZZUNYMQJZFMJB-UHFFFAOYSA-N 323.352 3.031 0 40 DGAB Cc1cc(C)c2c(c1)O[C@](O)(C(F)(F)C(F)(F)F)CC2=O 554662 PCVZMQANBMXMKG-NSHDSACASA-N 310.218 3.155 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1cccnc1 29304095 ZNHBXEQVXKJVJA-ZDUSSCGKSA-N 321.302 3.473 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2F)c1 3556084 BRRPZWFERISXRS-UHFFFAOYSA-N 301.317 3.102 0 40 DGAB CCCC(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 324731 MBNWTLZLDLOJFN-ZDUSSCGKSA-N 317.364 3.382 0 40 DGAB COc1cc(OC)cc(C(=O)NCCc2c[nH]c3ccccc23)c1 7990521 QDINILSJORXYNZ-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic CCCN1C(=O)/C(=C\c2ccc(Cl)cc2)C(C(=O)OC)=C1C 6654668 ODCASDHBCXPKJX-UVTDQMKNSA-N 319.788 3.423 0 40 DGAB CCc1nnc(S/C(=C\c2ccc(C)c(OC)c2)C(=O)O)o1 7508290 FMGUYBFDQNKVNG-WQLSENKSSA-N 320.370 3.167 0 40 DGAB Cc1ccc(Oc2ccc(N3C[C@@H](C(=O)O)CC3=O)cc2)cc1 7881366 KVSNULQUDORQDS-ZDUSSCGKSA-N 311.337 3.225 0 40 DGAB Cc1ccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)cc1 2699792 VZQUZYIZOWKFCP-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H](c2ccccc2)N2CCOCC2)c1 21822406 JFPKOUNTBXFGCL-LJQANCHMSA-N 324.424 3.315 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1c(C)nn(C)c1C 29953463 XFMKILGCHUFDRB-UHFFFAOYSA-N 322.412 3.383 0 40 DGAB CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@@]3(C)C[C@H]3C(=O)OCC)CC[C@]21C 104051782 DVMQQAMKHPKYQE-KIJPQYJASA-N 308.418 3.191 0 40 DGAB C[C@H](OC(=O)c1ccc(C(N)=O)cc1)c1ccccc1Cl 23046064 GWDYVJUOHLUKKB-JTQLQIEISA-N 303.745 3.357 0 40 DGAB O=C(CCC(=O)c1cccs1)Nc1nc2c(s1)CCC2 23040843 PWUHSHASQVRJHM-UHFFFAOYSA-N 306.412 3.295 0 40 DGAB Clc1ccc([C@@H]2C=C(c3cccnc3)Nc3ncnn32)cc1 101353399 JMVADYSALAORNI-HNNXBMFYSA-N 309.760 3.383 0 40 DGAB CCN(CC)S(=O)(=O)N[C@H](C)c1cccc2ccccc12 23397387 SLHOZOGFKFAGBI-CYBMUJFWSA-N 306.431 3.077 0 40 DGAB Cc1cccc(C)c1NC(=O)c1c(O)n(C)c2ccccc2c1=O 1257993 MKIBNVYCRYYVTN-UHFFFAOYSA-N 322.364 3.113 0 40 DGAB COCc1ccccc1NCC(=O)NC1CCCCCCC1 55849104 FHLNGNSDEKZRCA-UHFFFAOYSA-N 304.434 3.474 0 40 DGAB CCNCc1cccc(NC(=O)[C@@H]2CCOc3ccccc32)c1 107225491 LMUNVMFLICDCAS-QGZVFWFLSA-N 310.397 3.301 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)c1cccc(C)n1 26309148 DQBUDEJLUZVWLS-UHFFFAOYSA-N 311.429 3.162 0 40 DGAB Nc1nc(SCc2ccc(Br)cc2Cl)n[nH]1 57810644 KBOTVYHLCGQBNE-UHFFFAOYSA-N 319.615 3.095 0 40 DGAB Cc1ccc2cc(C(=O)NCCCCn3ccnc3)c(C)nc2c1 58245221 DPWGRBOJEXUGRJ-UHFFFAOYSA-N 322.412 3.258 0 40 DGAB C[C@H](CC(=O)NCC1(c2cccc(F)c2)CCOCC1)C1CC1 58281925 PONULTYCQPYEFY-CQSZACIVSA-N 319.420 3.426 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)OCc1nccn1C(F)F 12529545 UABKQCQRAKDSCF-UHFFFAOYSA-N 319.311 3.436 0 40 DGAB CCCCOC(=O)COC(=O)c1cc(Cl)c(O)c(Cl)c1 2266628 SXWRKHNOUXKNBH-UHFFFAOYSA-N 321.156 3.199 0 40 DGAB Cc1cccc(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)c1 36398479 WHUBVJQWEDDQKS-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2ccc(F)cc2)c1 3217061 UVEHUSOKRGIRRR-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCCCCCC2)c1C 12612614 IGIQRVYETOKDJH-UHFFFAOYSA-N 306.406 3.215 0 40 DGAB CC(C)C(=O)N1CCCN(C(=O)Nc2ccccc2Cl)CC1 69222713 ZSZKGTVJIRLVNE-UHFFFAOYSA-N 323.824 3.062 0 40 DGAB COc1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1 3434283 UIFNBVSJCCMGQE-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB O=C(c1cccn1Cc1ccccc1)N1CCO[C@H]2CCCC[C@@H]21 69392867 NBOLOYALRVWYAH-HKUYNNGSSA-N 324.424 3.320 0 40 DGAB C[C@@H](O)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 8394183 DARUXQLZDXLLKG-ZCFIWIBFSA-N 317.197 3.436 0 40 DGAB CC(=O)c1ccc(NC(=S)Nc2ccc(CCO)cc2)cc1 17052764 QXASQJJVWCPNMG-UHFFFAOYSA-N 314.410 3.233 0 40 DGAB COc1cc(NC(=O)[C@@H](C)Oc2ccccc2F)cc(OC)c1 24565234 ARHBFOPWCKEKSW-LLVKDONJSA-N 319.332 3.249 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)N1CCC(C2OCCO2)CC1 69527614 SQASJOMUMUIKQO-UHFFFAOYSA-N 324.808 3.265 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCO3)cn1 69564740 HJYOSASNIOGTPP-HNNXBMFYSA-N 310.353 3.096 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)s1 15194409 GNQVYRKZXYIKII-VIFPVBQESA-N 323.345 3.080 0 40 DGAB FC(F)(F)c1ccccc1-n1c(S)nnc1-c1cnccn1 5927286 OATXUJVUGQPUHK-UHFFFAOYSA-N 323.303 3.032 0 40 DGAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1ccon1 67288250 QMEPZHLVIZYKRE-UHFFFAOYSA-N 304.309 3.266 0 40 DGAB Cc1ccc2c(c1)CCCN2CC(=O)N1CCc2ccccc2C1 15450549 WRFHGEBPTKMWRG-UHFFFAOYSA-N 320.436 3.333 0 40 DGAB CCN(C(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1cccnc1 68363708 KBJMFPVZLRIUPB-SFHVURJKSA-N 323.440 3.347 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1 19736199 YEGCSUZEQYFZCY-JTQLQIEISA-N 320.776 3.337 0 40 DGAB Cc1cccc(C)c1O[C@H](C)C(=O)Nc1cc(N)ccc1F 19736638 BRZHOWPFTOZRGK-GFCCVEGCSA-N 302.349 3.431 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)Nc1cccc(C(C)=O)c1 9322776 FPIFSLYIPRYZBV-GFCCVEGCSA-N 312.369 3.337 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1 9364516 YQDMPRSTROWDDX-GFCCVEGCSA-N 309.369 3.453 0 40 DGAB Cc1ccoc1C(=O)NCCCOc1cccc2cccnc12 71846972 VQDAPPRCLQNTSA-UHFFFAOYSA-N 310.353 3.335 0 40 DGAB C[C@@H](NC(=O)COC[C@H]1CCCO1)c1csc2ccccc12 71879996 YPFBMPHGIIAWET-CHWSQXEVSA-N 319.426 3.274 0 40 DGAB CCC[C@@H](NC(=O)c1c[nH]c(C)cc1=O)c1ccc(F)cc1F 89949740 LEKJKHNDZQSKGZ-OAHLLOKOSA-N 320.339 3.233 0 40 DGAB CSC[C@H](C)C(=O)Nc1cc(C)c(Br)cn1 97012460 FDXRUKXLOMAMRN-QMMMGPOBSA-N 303.225 3.090 0 40 DGAB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/[C@H]1CCOC1 84341164 UORLSODZFRKSEN-NGZXACEBSA-N 303.240 3.048 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCC[C@H](C)C2)ccc1Cl 72414667 TWKHJWMYKGPWPU-NSHDSACASA-N 317.838 3.159 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@H](NC2CCSCC2)C1=O 95398196 FAEHTTRUVPCCCP-HNNXBMFYSA-N 322.449 3.115 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cc(F)ccc1F 78896977 XIRBSCIULUCRRS-PEBVRCNWSA-N 322.399 3.262 0 40 DGAB C[C@H](CC(=O)c1cccs1)NC(=O)c1ccc(Cl)cn1 95979604 OLNIQJXJYFZASH-SECBINFHSA-N 308.790 3.188 0 40 DGAB CC(=O)c1csc(NC(=O)[C@@H]2SCCc3sccc32)n1 74236604 VTMJEKOIXVMXIH-LLVKDONJSA-N 324.452 3.376 0 40 DGAB Cc1ccc(-c2cnc(CCC(=O)NCc3ccc[nH]3)o2)cc1 75148670 VEJCUZIPKWGWHQ-UHFFFAOYSA-N 309.369 3.227 0 40 DGAB FC(F)n1ccnc1CSc1nc2ncc(Cl)cc2[nH]1 73923841 MAUVCEXNZDOZOT-UHFFFAOYSA-N 315.736 3.495 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2)cc1 219488476 QAXKJAPQLKXSDX-HZPDHXFCSA-N 313.397 3.346 0 40 DGAB COc1ccc(C(=O)NCCCn2ncc3ccc(C)cc32)cc1 72239515 OLGNLGUBKOFXLT-UHFFFAOYSA-N 323.396 3.173 0 40 DGAB [O-][n+]1ccccc1SC[C@H](O)c1ccc(C(F)(F)F)cc1 71948349 SSJVQXILOBUMPX-LBPRGKRZSA-N 315.316 3.165 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccc(F)cc2C)CC1 73743078 LPFGSLDQPXWXIH-UHFFFAOYSA-N 306.381 3.158 0 40 DGAB Cc1ccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)cc1 71764997 QDJMMKNNBWSLHZ-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB COC(=O)c1cccc(C(=O)O[C@@H]2CCCc3ccccc32)n1 79077334 FMNUMNUUXIZPCF-MRXNPFEDSA-N 311.337 3.103 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1 224577997 DUTROCRQSBCEGU-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1cccs1 225597023 IVWOWGLZMZFSMZ-IYNGYCSASA-N 313.422 3.444 0 40 DGAB O=C(NCCSCc1cccs1)[C@H]1C[C@H]1c1ccco1 49398267 UCRZDQGAEWONDV-OLZOCXBDSA-N 307.440 3.494 0 40 DGAB CSc1nnc(NC(=O)COc2ccccc2C(C)C)s1 40988829 HBIZQOMEFJHEJL-UHFFFAOYSA-N 323.443 3.401 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(CCC(F)(F)F)C2)c1 83403333 CIDLQWNUFBMMBR-NSHDSACASA-N 303.324 3.446 0 40 DGAB CCc1ccc(CC)c(NC(=O)NCc2nncn2C2CC2)c1 85615745 KQSJWQUMMJJIEH-UHFFFAOYSA-N 313.405 3.060 0 40 DGAB CC(C)c1nnc(NCc2cc(Cl)c3c(c2)OCCO3)o1 96494338 KXVXPFINMQMSNM-UHFFFAOYSA-N 309.753 3.230 0 40 DGAB C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1)c1ccsc1 96479598 HVZAPKVHCZBPTI-YGRLFVJLSA-N 321.373 3.323 0 40 DGAB c1ccc(NC[C@@H]2CCC[C@@H]3CN(Cc4cccnc4)C[C@@H]32)nc1 96249016 UYUQWNGQTFKOBD-IPMKNSEASA-N 322.456 3.437 0 40 DGAB O=C(N[C@@H](c1nccs1)C1CC1)N[C@@H]1C[C@H]1c1ccccc1 96439480 POOKJVNUQORRJW-RRFJBIMHSA-N 313.426 3.450 0 40 DGAB CC(C)C[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 96476803 INFSKTHEUGYCAY-UKRRQHHQSA-N 315.383 3.395 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2ocnc2C(F)(F)F)C1 585131937 KDVCWFOBXCHRHC-VIFPVBQESA-N 322.352 3.441 0 40 DGAB Cn1cc(-c2cccs2)nc1CCNC(=O)c1ccsc1 85471188 HKZDQZNGACWDFQ-UHFFFAOYSA-N 317.439 3.183 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 43556441 AVIDEMDGCZWPCY-GFCCVEGCSA-N 317.418 3.255 0 40 DGAB C[C@@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C1CC1 42884607 QMHMNCNZKGOCFX-LLVKDONJSA-N 313.376 3.028 0 40 DGAB C[C@]1(C(=O)NC[C@H](O)c2cccc(Cl)c2)CC1(Cl)Cl 46689482 AIZHUDIMIUXDHY-CMPLNLGQSA-N 322.619 3.074 0 40 DGAB CSCC(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 54136266 HZARXBVKJFKBSH-UHFFFAOYSA-N 301.415 3.188 0 40 DGAB COc1ccc(-c2cnc(CN3CCCC[C@H]3CCO)o2)cc1 69249957 DRVPLJVMCCWDIS-HNNXBMFYSA-N 316.401 3.087 0 40 DGAB COc1ccc(-c2cc(N(C)Cc3c(C)noc3C)[nH]n2)cc1 77360621 SIZJURJGYBRRGN-UHFFFAOYSA-N 312.373 3.327 0 40 DGAB Cc1cc(C)c(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)c(C)c1 12169966 KNQHFBWODOQHRM-IIDMSEBBSA-N 305.462 3.329 0 40 DGAB CCCc1ccc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 12170196 WZKBTNVVFFZMCN-JZXOWHBKSA-N 305.462 3.357 0 40 DGAB C[C@@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 15952018 CAJHTYAYNZQRIR-CYBMUJFWSA-N 322.836 3.109 0 40 DGAB CCN1CCCc2cc(CCNC(=O)C3CCCC3)ccc21 22732597 GIESTAWDHKFZFP-UHFFFAOYSA-N 300.446 3.308 0 40 DGAB Clc1ccc(-c2nnn(C[C@H]3CC3(Cl)Cl)n2)cc1 15355041 GAGNXKJDURNJKA-MRVPVSSYSA-N 303.580 3.187 0 40 DGAB O=C(c1cnc[nH]1)N1CCC(Cc2cccc3ncccc23)CC1 1848355560 ZGBILHIKBKNSJU-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CCCCC2)cc1)NC1CC1 20535043 VDPYPCLEVAEKRI-UHFFFAOYSA-N 301.390 3.033 0 40 DGAB Cn1cc([C@@H]2CN(C(=O)c3ccccc3)Cc3ccccc32)cn1 585409740 USKYYEZTNYFFFM-IBGZPJMESA-N 317.392 3.208 0 40 DGAB C[C@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C[C@H](C)O1 40104661 KEFXLOOQNICACU-UWVGGRQHSA-N 318.295 3.226 0 40 DGAB O=C(NCCc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1 31040162 PDRWPZUSBUYSNC-UHFFFAOYSA-N 323.396 3.399 0 40 DGAB O=c1c2ccccc2cnn1Cc1cc(F)cc2cccnc12 31606804 LPSYPTCUIWDVJW-UHFFFAOYSA-N 305.312 3.132 0 40 DGAB Cc1cc(C)c2c3c(oc2n1)C(=O)N(c1ccccc1)CC(=O)N3 131393 RKVJKANFUPUCCW-UHFFFAOYSA-N 321.336 3.044 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccccc2-n2ccnc2)c1 45859987 MXPUJCYQKIRGNT-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COCc1ccc(Cl)cc1 2388711 XXUGCJCPVHCUOK-ZQIUZPCESA-N 311.853 3.480 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1 4111945 OFYBDLTYCPMVLC-MKBNYLNASA-N 304.365 3.108 0 40 DGAB COc1ccc(-c2noc(=O)n2Cc2cc(C)ccc2C)cc1 4966381 JLEOQETWZIAFQD-UHFFFAOYSA-N 310.353 3.177 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccc(F)cc1F)S[C@H](C)C(=O)N2 6678424 PWYYIEDTIDDNJU-KRTXAFLBSA-N 309.341 3.160 0 40 DGAB COCCN1CC(O)=C(c2nc(-c3ccccc3)cs2)C1=N 102727359 VIXPLASJFQUYTM-UHFFFAOYSA-N 315.398 3.018 0 40 DGAB COc1c(Cl)cc(S(=O)(=O)N2CCCCC2)cc1Cl 9061868 QCXQAEJZDXSZEY-UHFFFAOYSA-N 324.229 3.177 0 40 DGAB Cc1cc(NC(=S)NC(=O)C(C)C)ccc1Br 9064098 ILAYBRPVEQBMRI-UHFFFAOYSA-N 315.236 3.227 0 40 DGAB c1ccc(-n2ncc3c2ncn2c(-c4cccs4)nnc32)cc1 546259 DGILSEHRXNQRRV-UHFFFAOYSA-N 318.365 3.192 0 40 DGAB CSc1ncc(C(=O)NC2CCCC2)n1-c1ccc(F)cc1 22006529 MPPJIAAOOAEFLY-UHFFFAOYSA-N 319.405 3.406 0 40 DGAB Cc1cc(N2CCC(C(=O)N3CCCC3)CC2)c2ccccc2n1 41873325 JFGAGLZCERTDPT-UHFFFAOYSA-N 323.440 3.382 0 40 DGAB O=C(CN1CCCCCCC1)Nc1ccc(N2CCCC2)cc1 12546179 BOTHPVSHHKITMS-UHFFFAOYSA-N 315.461 3.491 0 40 DGAB CCc1ccc(S(=O)(=O)N(C)c2ccc(OC)cc2)cc1 59488849 QVLYLZIYBVAEEO-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3noc(C)n3)C2)C1(C)C 106904204 QIPVBXLJXOJMJD-ZNMIVQPWSA-N 317.433 3.322 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@@]3(CCSC3)C2)o1 108118953 SFTJXJHKFMPECX-ZENOOKHLSA-N 324.446 3.003 0 40 DGAB CCO[C@@H]1C[C@H](N[C@H](C)CC(=O)OC(C)(C)C)C12CCCC2 108376684 JBDQQZCBUQMFOD-QLFBSQMISA-N 311.466 3.434 0 40 DGAB CC[C@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 20886589 YHLRIHZBELMHDO-YJBOKZPZSA-N 324.424 3.463 0 40 DGAB Cc1ccc(NC(=O)COc2cccc3c2CCC3=O)cc1F 10197856 VFQVEFSPINGJBN-UHFFFAOYSA-N 313.328 3.281 0 40 DGAB CCc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1 10222102 QVQYXVAGWQNEJQ-UHFFFAOYSA-N 319.408 3.407 0 40 DGAB Cc1ccccc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 58291940 WFEWPVSBZVRYEM-OAHLLOKOSA-N 323.314 3.477 0 40 DGAB Cc1cc(CSc2ncccc2C(=O)NC2CCCC2)no1 27774729 YROXSXQUGRUUMA-UHFFFAOYSA-N 317.414 3.343 0 40 DGAB COc1ccc(CNC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 27995067 MQYNVYVCFQWWIC-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB COc1c(CN[C@@H]2CCSc3ccc(F)cc32)c(C)nn1C 58406099 WFZRIWPWHITQPW-CQSZACIVSA-N 321.421 3.203 0 40 DGAB COc1ccc(COC(=O)c2ccc(-n3cccn3)cc2)cc1 12770270 IXYWOFHDCBORAT-UHFFFAOYSA-N 308.337 3.238 0 40 DGAB Cc1cc(C(F)(F)F)nc(N[C@H](C)CN2CCCCC2)n1 36613467 SWPJWYGFIJCMEZ-LLVKDONJSA-N 302.344 3.090 0 40 DGAB CC(C)(C)n1cc(C(=O)NCCCCOc2ccccc2)cn1 48281446 HWMUOMVJAZLCBV-UHFFFAOYSA-N 315.417 3.227 0 40 DGAB CC(C)[C@@H](C(=O)NCc1ccccc1)N1CCc2ccccc2C1 48304218 MWMLMVRAADEZLS-FQEVSTJZSA-N 322.452 3.386 0 40 DGAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NCc2ccco2)cc1 8327414 WWEJQKUDVHYHNT-LLVKDONJSA-N 318.398 3.035 0 40 DGAB COCc1c(C(=O)NCc2ccc(C)nc2)oc2ccccc12 49195908 JVQYXCAUGXFRGN-UHFFFAOYSA-N 310.353 3.213 0 40 DGAB O=c1sc2ccccc2c(=O)n1Cc1ccccc1Cl 4091651 GJFHZDOMKKROCL-UHFFFAOYSA-N 303.770 3.125 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 6207251 PUTWCGQFDRWTKR-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB CC(C)(C)N1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(Cl)c(F)c1 70271590 OCIIVILFDNJYOS-RNCFNFMXSA-N 313.756 3.252 0 40 DGAB in-vitro C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N(C)c1ccccc1 5531094 VJTMPRRXEKKUOS-ZDUSSCGKSA-N 322.364 3.376 0 40 DGAB COc1ccc(-c2nsc(NC(=O)c3ccoc3C)n2)cc1 69843894 CAKVVEOCHGKNEW-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB O=C(NC1CCCCCCC1)[C@H]1CC(=O)N(c2ccccc2)C1 4815830 PORIWPPVHKBCRT-HNNXBMFYSA-N 314.429 3.269 0 40 DGAB COC[C@H](C)n1c(SCC(C)C)nc2ccccc2c1=O 6851203 FSSKUUFKBAANNE-LBPRGKRZSA-N 306.431 3.352 0 40 DGAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc2ccccc2c1 5938574 QOKJOSLPRZGOQT-LLVKDONJSA-N 312.398 3.088 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 9154921 AVEWQCPXVINQOD-RHSMWYFYSA-N 318.442 3.203 0 40 DGAB CC(C)(C(=O)O)[C@@H](O)c1ccc(OCc2ccccc2)cc1 83255261 GCTLDDCFPJNPJU-INIZCTEOSA-N 300.354 3.410 0 40 DGAB in-vitro CCOCCOc1ccc(C(=O)Nc2cc(N)ccc2C)cc1 19736711 ZTDRCAFQDYRQMH-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2ccc(C)cc2)cc1OC 22524346 JFJBMBHCEWVVEK-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB C[C@H](NC(=O)c1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 9467620 NISPBUUWGHQZOI-VIFPVBQESA-N 301.296 3.332 0 40 DGAB CC(C)(C)Cc1cc(NC(=O)c2cc3ccccc3c(=O)[nH]2)[nH]n1 76022887 OHKTUXAHORDLNN-UHFFFAOYSA-N 324.384 3.092 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c1 72296904 MGHLYVNBOLTXKX-WMLDXEAASA-N 312.413 3.218 0 40 DGAB COc1ccc(Cl)c(NC(=O)N2CCC[C@H]2C(C)(C)O)c1 97047276 MITNAKNXNCNYIY-ZDUSSCGKSA-N 312.797 3.116 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2[C@H](C)O)nn1C(C)(C)C 97046320 CPZBCUHOZRDTDL-LBPRGKRZSA-N 301.390 3.252 0 40 DGAB CCCCc1nc(C)sc1C(=O)NCCc1nccs1 72403484 CPLWMFLGOKOBLB-UHFFFAOYSA-N 309.460 3.223 0 40 DGAB O=C(CCC(=O)NC1CCCC1)NCCCC1CCCCC1 95439346 WKHARKDXQUPAPP-UHFFFAOYSA-N 308.466 3.302 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1c(F)cccc1Cl 95945414 WDQHWEIWCICFKY-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB Cc1noc(C)c1CN[C@H]1CCN(c2ccc(Cl)c(F)c2)C1 95990180 DAGXFAIXZLOGHE-LBPRGKRZSA-N 323.799 3.452 0 40 DGAB CSc1c[nH]nc1NC(=O)[C@H](C)Oc1cccc(Cl)c1 95964490 SLXSIYKPUUCUAE-QMMMGPOBSA-N 311.794 3.191 0 40 DGAB CCc1nn(C)c2[nH]nc(NC(=O)c3sccc3C3CC3)c12 89282704 MOQCIKTWMUCJBJ-UHFFFAOYSA-N 315.402 3.050 0 40 DGAB CCN(CC)c1ccc(C(=O)N(C)c2c(C)noc2C)c(O)c1 89241346 XCKSHFSGTOTTHV-UHFFFAOYSA-N 317.389 3.120 0 40 DGAB c1ccc([C@H]2CO[C@@H]3CC[C@@H](n4nnc5ccccc54)N23)cc1 63110719 WMDJEWDGKBLINT-KZNAEPCWSA-N 306.369 3.123 0 40 DGAB CCOC(=O)C1=C(C)N=C2SC=CN2[C@@H]1c1ccccc1 409376015 SELWMJAGFPFSPO-CQSZACIVSA-N 300.383 3.454 0 40 DGAB CCOc1ccc2ccccc2c1[C@@H]1NC[C@H](C(=O)O)S1 408980814 XWWXQKFSXGYAHM-UKRRQHHQSA-N 303.383 3.027 0 40 DGAB CCn1c(=O)c(N(C)[C@@H](C)c2ccccn2)nc2ccccc21 518515693 VTPRKCWUFRQUFU-ZDUSSCGKSA-N 308.385 3.009 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccoc2)cc1 186122160 GZVDXXILCYVWKZ-KGLIPLIRSA-N 307.415 3.101 0 40 DGAB O=C(NC[C@H]1CCOC2(CCC2)C1)Nc1cc(C2CC2)ccn1 556632863 IRYWUKZPTYOEPL-ZDUSSCGKSA-N 315.417 3.430 0 40 DGAB COc1cc(C(=O)NCc2ccco2)nc2c(C)cc(F)cc12 72329521 BJPWAPPTWCMJCZ-UHFFFAOYSA-N 314.316 3.214 0 40 DGAB CCc1noc([C@@H]2CCCN(C(=O)c3sccc3C)C2)n1 41122341 XHXUWVTXUPOJCK-LLVKDONJSA-N 305.403 3.022 0 40 DGAB CC(C)Oc1ccc(CNC(=S)Nc2ccncc2)cc1 225448272 HJPUYLNODNBYFO-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccc(C)cc2)cc1C 225658635 OLAMVFDDGKPNHS-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CSc1ccc(Cl)cc1S(=O)(=O)Nc1nccs1 223441044 HWWKXAMATBZBID-UHFFFAOYSA-N 320.848 3.319 0 40 DGAB Nc1ccc(-c2n[nH]c(-c3ccc(Br)o3)n2)cc1 40169525 WMAFAWOLXURRGC-UHFFFAOYSA-N 305.135 3.076 0 40 DGAB C[C@H]1CCCN(CCCNC(=S)Nc2cccc(F)c2)C1 225736387 VQOCULDKMHEYTP-ZDUSSCGKSA-N 309.454 3.234 0 40 DGAB O=C(Nc1cc[nH]n1)Nc1ncc(Cc2cccc(F)c2)s1 195343131 MMTZFJXQELGUMB-UHFFFAOYSA-N 317.349 3.240 0 40 DGAB Cc1nc(SCC[C@H]2CCCN2C)n(C[C@@H]2CCCO2)c1C 96485295 NDZXYZJTJGUAGG-CVEARBPZSA-N 323.506 3.255 0 40 DGAB CCn1nc(CN2CC[C@H](c3cccnc3)C2)c2ccccc21 578132855 BHDJALNVEMPYQA-INIZCTEOSA-N 306.413 3.441 0 40 DGAB c1ccc2c(c1)CCSC[C@@H]2NC1CCN(C2CC2)CC1 96476448 JPQVWJZPRHVWLA-SFHVURJKSA-N 302.487 3.233 0 40 DGAB c1cc2n(c1)[C@@H](COCc1ccncc1)CN(C1CCCC1)C2 253597003 YWRHZPNJQDUTDP-LJQANCHMSA-N 311.429 3.399 0 40 DGAB O=C(O)c1ccccc1-n1cnc(CN2CCc3ccccc32)c1 257228613 FUOGPZDMUQPWPJ-UHFFFAOYSA-N 319.364 3.133 0 40 DGAB CCn1cc(S(=O)(=O)Nc2c(C)csc2Cl)nc1C 585129416 IVZICMFXPJNUKW-UHFFFAOYSA-N 319.839 3.036 0 40 DGAB CC1CCN(Cc2csc(NC(=O)c3ccsn3)n2)CC1 294386379 CVYRLFNHWQLZCG-UHFFFAOYSA-N 322.459 3.084 0 40 DGAB CCO[C@H](CC)C(=O)Nc1ccc(Sc2nncs2)cc1 57227603 QBIJHFNVWMAXFZ-GFCCVEGCSA-N 323.443 3.443 0 40 DGAB CCCCN1CCCC[C@@H]1CNC(=O)Nc1c(C)noc1C 69699365 GBINCRTVKCZQMJ-CQSZACIVSA-N 308.426 3.068 0 40 DGAB Cc1nc(C)c(-c2nnc(SC[C@H]3CCCCO3)o2)s1 69620455 PGBLQBZDOQUAHM-SNVBAGLBSA-N 311.432 3.471 0 40 DGAB CC1(C)[C@@H]2C[C@@H]1CC=C2COC[C@H](O)CNCc1ccccc1 101748431 CRLYEWHFWWOPNO-IPMKNSEASA-N 315.457 3.146 0 40 DGAB COc1cccc(OC)c1C(=O)Nc1ccc(N(C)C)cc1 559993 ZTZLQBRTBLENOV-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB O=C(CN1CCC(c2ccccc2F)CC1)NC1CCCC1 12113945 NHFOSEDKNWOIFI-UHFFFAOYSA-N 304.409 3.064 0 40 DGAB COc1ccc(CN(C)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19586423 LLUBGAYQDSYOEP-RBUKOAKNSA-N 315.388 3.449 0 40 DGAB O=C(NC1C[C@@H]2CC[C@H](C1)N2C1CC1)c1ccc(Cl)cc1 35291731 FWMBFLKMSWCYHJ-VHRNVKJDSA-N 304.821 3.228 0 40 DGAB CCc1ccc([C@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)cc1 554158546 ALKVQONYKXCSGI-SFHVURJKSA-N 311.429 3.024 0 40 DGAB O=C(NC1CCCCCC1)c1ccc(N2CCCC2=O)cc1 260300 YWPSYMQPSXAFTK-UHFFFAOYSA-N 300.402 3.266 0 40 DGAB Cc1cncnc1N1CCN(Cc2cccc3ccccc23)CC1 1306922479 SDJBPBDKTDCCBZ-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB CCOc1ccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9134355 HQUHVSXMCXFLNP-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ncc(-c2ccccc2)o1 206584663 CCRAYCNKDRAKMJ-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB O=C(COc1ccc(F)cc1)NCc1ccc(-c2ccoc2)o1 585147914 HPCSOUYXRJCYOS-UHFFFAOYSA-N 315.300 3.374 0 40 DGAB CCOC(=O)c1csc(NC(=O)CCCc2cccs2)n1 40457475 UMNUWOORKZCIMV-UHFFFAOYSA-N 324.427 3.343 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 40457464 CJGZCAHPPTVSGV-WMLDXEAASA-N 303.402 3.259 0 40 DGAB CCN(CC)C(=O)CSc1nnc(-c2cc(C)cc(C)c2)o1 415485 DTOWAJZRDPPHIW-UHFFFAOYSA-N 319.430 3.314 0 40 DGAB C[C@@H]1CN(CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H](C)O1 20572473 FXBUKHBBVZDQJF-NXEZZACHSA-N 317.216 3.041 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 260257 SQVDVDSCVDSNEV-CJNGLKHVSA-N 300.402 3.122 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2)nc1 1352703 ODEFODTYRXJHGH-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB COc1cc(NCCCCCCN)c2ncccc2c1OC 1873634 DWYYPHBWAAFIRH-UHFFFAOYSA-N 303.406 3.183 0 40 DGAB Cc1ccc2cccc(OCC(=O)NCc3ccccc3)c2n1 6865731 HFUUAMRORGTRKY-UHFFFAOYSA-N 306.365 3.238 0 40 DGAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1 7308883 APPNSJSJYSQQIM-AWEZNQCLSA-N 308.403 3.029 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 7685400 TUIPCYJEBKCADN-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB Clc1snnc1CSc1ncnc2sccc12 29868816 YQFUFMSWCNBBEI-UHFFFAOYSA-N 300.821 3.489 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)N[C@@H]1CCc2ccccc21 32843565 DAXMKHNKNBQIOX-GOSISDBHSA-N 323.392 3.244 0 40 DGAB c1csc(Cc2n[nH]c(SCCc3ccncc3)n2)c1 32893269 GGHRJPBDKGYXDI-UHFFFAOYSA-N 302.428 3.187 0 40 DGAB Cn1cc(Cl)c(C(=O)Nc2ccccc2Br)n1 483714 AOMDGILIFFIJOL-UHFFFAOYSA-N 314.570 3.088 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccoc2C)c1C 7858302 ZWJIMVMGGDLFBA-GFCCVEGCSA-N 317.341 3.164 0 40 DGAB CCOc1ccc(NC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 102923744 DDBPPLROZBHLGF-CXTCDGGRSA-N 315.413 3.355 0 40 DGAB Cc1ccccc1/C=C1\NC(=O)N(Cc2ccc(F)cc2)C1=O 2813005 SRZANZRCEGDBGQ-YBEGLDIGSA-N 310.328 3.227 0 40 DGAB Cc1cccc(-n2ncc3c(NCc4ccco4)ncnc32)c1 544788 MSCRCGPMXVKEBL-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 22193391 HMSXIZHSTALRMP-UHFFFAOYSA-N 322.408 3.459 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1cccs1)c1ccc(F)cc1 12531609 CNYKCADPBHGEOZ-CQSZACIVSA-N 315.373 3.140 0 40 DGAB O=C(CC[C@H]1Cc2ccccc2NC1=O)OC1CCCCC1 23362226 OJWVHUNOLNXSKL-AWEZNQCLSA-N 301.386 3.454 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H](CN2CCCCCC2)C1 69742154 HQQZVJKPPLOKPG-ZWKOTPCHSA-N 304.478 3.457 0 40 DGAB C[C@@H](CNC(=O)CCc1ccc(Cl)s1)CN1CCCC1 55541457 SPVAUUYFIYUIBA-LBPRGKRZSA-N 314.882 3.182 0 40 DGAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)s1 25177999 WTULYLLLQKWVKH-UHFFFAOYSA-N 301.367 3.046 0 40 DGAB Cc1ccc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c(C)c1 58283209 SPXOFKFQGVUXHL-UHFFFAOYSA-N 316.445 3.070 0 40 DGAB Cc1noc2ncc(C(=O)NCC3(c4ccccc4)CCC3)cc12 12792477 NFBMGFWKDPDBST-UHFFFAOYSA-N 321.380 3.383 0 40 DGAB O=C(CC1CCCC1)NCc1cccc(NC(=O)C2CC2)c1 10763703 ZMYLJBARVRGFBE-UHFFFAOYSA-N 300.402 3.232 0 40 DGAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)no1 10872781 NIWJHCYQNZYLIO-UHFFFAOYSA-N 311.297 3.081 0 40 DGAB COc1cc(NC(=O)c2ccc(N)cc2)c(OC)cc1Cl 20193565 MZWXEEMQBPMCBX-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(CCc1ccccc1)NCCOc1ccc(Cl)cc1 60675981 SZVMMFVZDSLKSU-UHFFFAOYSA-N 303.789 3.468 0 40 DGAB C[C@]1(c2ccccc2)CC(=O)N(c2cc(F)ccc2F)C1=O 48311263 ZLPPKYUSCMNNES-QGZVFWFLSA-N 301.292 3.186 0 40 DGAB CSc1ncccc1C(=O)Nc1cc2c(cc1Cl)OCO2 12815247 WGGMVPUFHVKYIJ-UHFFFAOYSA-N 322.773 3.438 0 40 DGAB O=C(NC1CC1)c1cn(-c2ccccc2)nc1-c1cccs1 8077147 QOSYXWCKQOILCR-UHFFFAOYSA-N 309.394 3.493 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2c(c1)OCO2 8128263 BIAGMRBMZADTMR-LBPRGKRZSA-N 313.353 3.223 0 40 DGAB CCn1nc(C)cc1-c1nn2c(-c3ccccc3)nnc2s1 8203029 CEADMGUEEMLNMC-UHFFFAOYSA-N 310.386 3.045 0 40 DGAB C[C@@]1(C(=O)NCc2cccc3cccnc23)CC1(Cl)Cl 49465835 GBWZSWWIAVZVQS-AWEZNQCLSA-N 309.196 3.435 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(-c3nccn3C)c2)cn1 65152842 JRQCLCQCHQEXPZ-UHFFFAOYSA-N 322.368 3.133 0 40 DGAB Cc1ccnc(NC(=O)[C@@H]2CCCCN2C(=O)c2ccccc2)c1 69453258 YLEBVZWOOGQFMF-INIZCTEOSA-N 323.396 3.023 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCCCC[C@@H]1c1cccn1C 65402264 UDWUTRGWFCPXTA-QGZVFWFLSA-N 315.417 3.316 0 40 DGAB COCc1nc(C(=O)N2CCC(c3ccccc3)CC2)cs1 65493231 NGAVOYSKSWDZCF-UHFFFAOYSA-N 316.426 3.309 0 40 DGAB CCCCN1C(=O)[C@@](O)(CC(=O)C(C)(C)C)c2ccccc21 4554966 JQUDIMFSSGMKDZ-GOSISDBHSA-N 303.402 3.026 0 40 DGAB CCc1cc2c(SCC(=O)N[C@H](C)CC)ncnc2s1 8428887 FBWSYNCRIXHWRN-SECBINFHSA-N 309.460 3.261 0 40 DGAB CC(C)C(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 4681690 KHQUZXQPXLILLE-UHFFFAOYSA-N 310.397 3.254 0 40 DGAB biogenic COc1ccc(NC(=O)CCN2C[C@@H](C)C[C@H](C)C2)c(OC)c1 4744630 SWWAYZZLBLKRTF-KBPBESRZSA-N 320.433 3.010 0 40 DGAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(F)c(F)c1 7050594 CUBIOHJATLUCBT-UHFFFAOYSA-N 309.337 3.254 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCCO2 24664833 IRIJDABPLUDREI-UHFFFAOYSA-N 317.772 3.383 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2ccc(C)cc2F)c1 7683586 BGNXWUSTIMYQNU-UHFFFAOYSA-N 316.376 3.213 0 40 DGAB COc1ccccc1-c1cc(=O)n(-c2nc3ccccc3s2)[nH]1 9305467 PEEOWJSNOGUWOP-UHFFFAOYSA-N 323.377 3.451 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cnn(-c2ccccc2)c1 9337721 NZWXRFYQLDZDJY-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB C[C@H](CCc1ccccc1)Nc1nc(Cl)nc2[nH]cnc12 9420305 VUIQJTCNWOVWLH-SNVBAGLBSA-N 301.781 3.440 0 40 DGAB COc1ccc(CN(CCC(=O)N2CCC[C@@H]2C)C2CC2)cc1 75591977 NEPMBJVEIZSZMS-HNNXBMFYSA-N 316.445 3.061 0 40 DGAB COc1ccnc(C(=O)N2C[C@@H](C(C)C)Nc3ccccc32)c1 96449920 BYYIFRAVZKZOLN-INIZCTEOSA-N 311.385 3.187 0 40 DGAB C[C@@H]1CN(C(=O)c2cccn2Cc2cccs2)CC(C)(C)O1 71831210 YGSZDJAYGAPROB-CYBMUJFWSA-N 318.442 3.237 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 71908752 RBLSBHOPVXBJDN-HKUYNNGSSA-N 324.424 3.217 0 40 DGAB O=C(Nc1nccs1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 89262039 QOFADJJKBPMMAU-NWDGAFQWSA-N 323.805 3.448 0 40 DGAB COc1ccc2onc(CC(=O)N(C3CCCC3)C3CC3)c2c1 520998008 BUSKVHMQVUWIAW-UHFFFAOYSA-N 314.385 3.313 0 40 DGAB O=C([C@@H](O)C1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1 188550168 ZHNMMAAUUINUHF-SFHVURJKSA-N 317.429 3.072 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC[C@H](Cc2nccs2)C1 72384995 GFYDBHYSCATAJS-GFCCVEGCSA-N 304.390 3.377 0 40 DGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCOC(C)C 44884890 XYILZWWHAKJYLW-HNNXBMFYSA-N 313.825 3.429 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@H](C)S(=O)(=O)C1CCC1 568031832 PVYRXNASOHYBAW-LBPRGKRZSA-N 309.431 3.104 0 40 DGAB CCOCCCNC(=O)[C@@H](CC)Oc1ccc2c(c1)CCCC2 225681659 WKJAPOBXRRDSEU-GOSISDBHSA-N 319.445 3.266 0 40 DGAB Cc1nc2ccc(NC(=O)c3ccc(Br)o3)cc2[nH]1 44298567 RDSJPSBBJNNPGA-UHFFFAOYSA-N 320.146 3.479 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccncc2)cc1 225643823 PQQXRZTXWKFKCK-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB CC[C@H](C)[C@@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 194098410 CVZPANZSTPJWRV-QWHCGFSZSA-N 318.417 3.190 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CCC[C@@H]1COC2 85471101 YOHWAPICGRWOLD-OKILXGFUSA-N 323.820 3.277 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@H](C)O[C@@H](C)C3)c2cc1Cl 21821973 CTHBTGDHGXVMDT-RYUDHWBXSA-N 321.804 3.364 0 40 DGAB biogenic c1coc(CN2CCC3(CC2)CO[C@@H](COCC2CC2)C3)c1 96105960 ZTUFAJAXGJYCTM-QGZVFWFLSA-N 305.418 3.077 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCCC2=CCCCC2)cc1C 96658787 QDDQQJNRRQBFJJ-UHFFFAOYSA-N 323.458 3.481 0 40 DGAB COc1c(CN2CCC(OC3CCCCC3)CC2)c(C)nn1C 92736113 ZSRUVKUAYJHACS-UHFFFAOYSA-N 321.465 3.051 0 40 DGAB CO[C@@H]1CCCCC[C@@H]1NC(=O)c1csc([C@@H]2CCCO2)n1 96484883 BZHZBXULXUEXPU-YUTCNCBUSA-N 324.446 3.072 0 40 DGAB CCn1c(CN[C@H]2CCCc3nc(O)ccc32)nc2ccccc21 580590012 SQOALVMTKWXZDF-AWEZNQCLSA-N 322.412 3.324 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2c2cccc(N(C)C)c2)n1 96410198 MMKIZJHDCGKMJQ-SFHVURJKSA-N 309.413 3.433 0 40 DGAB CCc1ccsc1CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 97378463 ZCXGTFJWRRBMDT-KGLIPLIRSA-N 308.447 3.067 0 40 DGAB CC(C)C(=O)N1CCCC[C@@H]1CCc1cccc(N(C)C)n1 257241384 HXWKMRYUFWBQGM-MRXNPFEDSA-N 303.450 3.117 0 40 DGAB Cc1cc(C)nc(N[C@H]2CCN(c3ccc(Cl)cc3)C2)n1 540647087 BSTVWSSFXTWBBB-AWEZNQCLSA-N 302.809 3.438 0 40 DGAB CCNC(=O)c1cccc(CNc2ccnc(C(F)(F)F)c2)c1 283580532 OYOQRISICFNALY-UHFFFAOYSA-N 323.318 3.462 0 40 DGAB C[C@H]1C[C@@H](NC(=O)N2CCC3(CCCCC3)CC2)c2ncnn21 661533538 JMSQPACQMCKMHG-UONOGXRCSA-N 317.437 3.040 0 40 DGAB CC(=O)Nc1nc([C@H]2CCCCN2Cc2cc(C)on2)cs1 585268815 ZEOUDLPHOPDJFG-CQSZACIVSA-N 320.418 3.125 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1cc(=O)c2cc(Cl)ccc2o1 55454693 QHQSPMGHZVOXDK-UHFFFAOYSA-N 317.772 3.365 0 40 DGAB CN(Cc1nc(-c2ccccn2)no1)Cc1ccccc1Cl 69529172 SWBIXSOXDQUZLK-UHFFFAOYSA-N 314.776 3.417 0 40 DGAB COc1ccc(-c2nsc(NC(=O)c3occc3C)n2)cc1 69895328 ZOMUARCVHKUYSB-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB CCOCCCCNC(=O)N1CCc2ccc(Cl)cc2C1 90548763 MYSMFEPOLUSTTC-UHFFFAOYSA-N 310.825 3.224 0 40 DGAB CCCCN1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 5867911 JQMCWUHMPCVUKS-MDWZMJQESA-N 305.355 3.252 0 40 DGAB COC(=O)[C@H]1CCc2ccccc2N1C(=O)CCc1ccccc1 12156127 CMFQWABSTKJYCF-GOSISDBHSA-N 323.392 3.140 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2C(=O)O)cc1 13083441 DZWCWUDHFZKCRT-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Nc1cncc(I)c1Nc1ccccc1 5286383 FUALPFAUEJTUAT-UHFFFAOYSA-N 311.126 3.012 0 40 DGAB Cc1cccnc1CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 643914157 MUYKAJAUHHFDGN-OALUTQOASA-N 314.404 3.097 0 40 DGAB Nc1nc(Nc2ccccc2)nc(SCc2ccccc2)n1 1567840 FVXGGAKXBQZVRE-UHFFFAOYSA-N 309.398 3.490 0 40 DGAB COc1ccc(/C=C/c2cc(C(F)(F)F)[nH]c(=O)n2)c(F)c1 4386095 IGIJPDQNFVDZMK-DUXPYHPUSA-N 314.238 3.107 0 40 DGAB O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1ccc(Cl)cc1 4941412 RUGMAOQFSFHHET-CYBMUJFWSA-N 310.781 3.147 0 40 DGAB c1ccc2nc(N3CCC[C@H](COc4ccncc4)C3)cnc2c1 1775972842 YIRKYEWZLMTMTA-HNNXBMFYSA-N 320.396 3.320 0 40 DGAB O=C(NC[C@@H](c1cccs1)n1cccn1)Nc1cccs1 575614502 VBLZIKXTPYPXIM-NSHDSACASA-N 318.427 3.417 0 40 DGAB CC[C@H](Nc1cc(C)cc(C)c1)C(=O)Nc1nnc(C)s1 7460341 DHCUYSPJYAHVSW-ZDUSSCGKSA-N 304.419 3.293 0 40 DGAB CSc1ccccc1C(=O)NCC[C@H](O)c1ccccc1 85436430 RLGSTMNPNVFLKZ-HNNXBMFYSA-N 301.411 3.262 0 40 DGAB O=C(Cc1noc2ccccc12)NCc1nc2ccccc2s1 30972637 BJGSILWKGYQUQP-UHFFFAOYSA-N 323.377 3.296 0 40 DGAB Cc1ncsc1C(=O)NCc1ccc(COC(C)C)cc1 40541813 AVIRWBLNJJUTSN-UHFFFAOYSA-N 304.415 3.307 0 40 DGAB CC(=O)N1[C@@H](C(=O)O)CS[C@@H]1c1ccc(Cl)cc1Cl 226168 GKPFYCPDYDOIQH-GHMZBOCLSA-N 320.197 3.041 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccccc2Cl)cc1 386136 DZZFEPZTWJJPTP-UHFFFAOYSA-N 323.801 3.061 0 40 DGAB NC(=O)c1cccnc1N1CCC(CCc2ccccc2)CC1 29441053 RIPFCVXSPGRJMU-UHFFFAOYSA-N 309.413 3.030 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)cc1Cl 16101658 IQUHXVMHAADJBP-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB COc1ccc(CCOC(=O)Nc2ccccc2)cc1OC 1426061 PEOTXMOJONMQMM-UHFFFAOYSA-N 301.342 3.495 0 40 DGAB CSc1ccc(CNCCCSc2ncccn2)cc1 4984181 CUCVOXYNUHMTIJ-UHFFFAOYSA-N 305.472 3.471 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 10449980 FRYFIJCHXVIQER-KGLIPLIRSA-N 311.381 3.440 0 40 DGAB CC1(C)C[C@@H]2C[C@](C)(CN2c2nc(Cl)nc3[nH]cnc23)C1 101491396 HIOBQTUVKFDNTH-PSLIRLAXSA-N 305.813 3.411 0 40 DGAB CNC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 32922481 GLMUTXOSGJZCGR-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB C[C@@]1(c2cccs2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 53863092 OCCHGVALUSZYOY-HNNXBMFYSA-N 320.801 3.369 0 40 DGAB O=C(NC(=S)N1CCCC1)C(c1ccccc1)c1ccccc1 578938 DPTOIWDHGFQAFQ-UHFFFAOYSA-N 324.449 3.315 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47085600 JNGPJOJEKFKTBX-GXSJLCMTSA-N 317.414 3.306 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccsc2)c1 24342189 NAOIIDOCTVXPGU-NSHDSACASA-N 305.399 3.185 0 40 DGAB CN(C)CCN(C(=O)/C=C/c1ccsc1)c1ccccc1 58100508 LVQJINNDTOJSCW-CMDGGOBGSA-N 300.427 3.356 0 40 DGAB C[C@H](NC(=O)[C@H](C)N(C)Cc1ccco1)c1ccc(F)cc1 24972917 FWLWQXPGHRSKJB-STQMWFEESA-N 304.365 3.116 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccc(O)cc2)N1C[C@H]1CCCO1 12553308 XKKZNDLNGISTSS-QAPCUYQASA-N 324.380 3.138 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)CSc3ccccc3)cc12 25049638 ZAEMCBXWSCWMDE-UHFFFAOYSA-N 312.398 3.008 0 40 DGAB CCCn1cc(C(=O)NC[C@@H]2CCCN2CC)c2ccccc21 57030933 UFQXWWMVZFBYEI-HNNXBMFYSA-N 313.445 3.265 0 40 DGAB C[C@@H]1CCc2onc(C(=O)NCc3ccccc3Cl)c2C1 20572093 PTCIYJXJGCPCSU-SNVBAGLBSA-N 304.777 3.383 0 40 DGAB CC[C@H]1CCCCN1C(=O)NCc1cc(F)cc2c1OCOC2 69743033 XZSICCXNAYSQEL-HNNXBMFYSA-N 322.380 3.166 0 40 DGAB CCC[C@@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)CC1 57909412 VPBRHUYYQNRLHC-CQSZACIVSA-N 319.474 3.467 0 40 DGAB c1ccc2c(NCc3cc[nH]n3)nc(-c3ccncc3)nc2c1 58166410 WMIAUMOQSKIFAK-UHFFFAOYSA-N 302.341 3.027 0 40 DGAB CON(C)C(=O)c1ccccc1SCc1c(C)noc1C 36037254 PWUXRNMKEBDQOF-UHFFFAOYSA-N 306.387 3.217 0 40 DGAB CC[C@@H](Sc1ncc2ccccn12)C(=O)Nc1cc(C)on1 58377849 GXXPSVACHBZEJI-GFCCVEGCSA-N 316.386 3.140 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccnn2Cc2ccccc2)cc1 28291804 DYIMGDRVRNWITC-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB COc1cccc(CCNC(=O)Cc2c[nH]c3ccccc23)c1 48300352 BMAFOOLIBLDTTG-UHFFFAOYSA-N 308.381 3.078 0 40 DGAB COc1cccc(NC(=O)COC(=O)c2cc(C)cc(C)c2)c1 3401765 QKBVSEVHAQHTFO-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1ccc(C)c(CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)c1 3545618 RFVCDDZCDHKRCY-FQEVSTJZSA-N 320.392 3.197 0 40 DGAB CCCc1cc(O)nc(S[C@H](C)C(=O)c2ccccc2)n1 18046218 SGLNSXXUCQWAIQ-LLVKDONJSA-N 302.399 3.498 0 40 DGAB CS[C@@H](C)C(=O)N(CCc1ccccc1)Cc1ccncc1 69452995 CYALRXLAJWXGGF-HNNXBMFYSA-N 314.454 3.404 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)cc1 6204810 ZYVFGHHLUBWCPZ-AWEZNQCLSA-N 300.402 3.115 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)NC1(c2ccccc2)CCC1 65565382 OLDOIIJZOMCAMI-CYBMUJFWSA-N 311.429 3.336 0 40 DGAB O=C(Nc1ccc(OC(=O)[C@H]2CCCO2)cc1)c1ccsc1 69898743 NAXIMUZAIXXBRP-CQSZACIVSA-N 317.366 3.085 0 40 DGAB O=C(CCNC(=O)c1ccc(Cl)cc1)OC1CCCCC1 14464516 SNOPDLYDTMBKHM-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB COc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(Cl)c1 6757550 NZMABQYGMJCXEL-UHFFFAOYSA-N 301.729 3.078 0 40 DGAB O=C(NC1CCC(O)CC1)N[C@@H](c1ccc(F)cc1)C1CCC1 69980501 AZVATCXACFBYIL-OFLPRAFFSA-N 320.408 3.270 0 40 DGAB CC(=O)c1ccccc1NC(=O)CC1(C(=O)O)CCCCC1 8746193 AWFKKAYFXGBSDZ-UHFFFAOYSA-N 303.358 3.253 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)oc2C)c1 4930964 IIVHVKRVSYRCTL-CYBMUJFWSA-N 301.342 3.389 0 40 DGAB ClC1(Cl)C[C@@H]1CSc1nnc2[nH]c3ccccc3n12 6983125 WEQJBSIRNJUGMC-SSDOTTSWSA-N 313.213 3.497 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1c1cccs1 15835782 JZQMFUJVVDDRIZ-GFCCVEGCSA-N 301.367 3.454 0 40 DGAB CCc1nc2ccccc2n1C1CCN(c2ncccn2)CC1 92961375 SONFJRFVXJFPAO-UHFFFAOYSA-N 307.401 3.230 0 40 DGAB Cc1ncccc1C(=O)N[C@@H](C)Cc1nc2ccccc2s1 84041701 SDNSSJPXUZIIOP-NSHDSACASA-N 311.410 3.361 0 40 DGAB C/C=C/c1cc(C(=O)Nc2nccs2)cc(OC)c1OC 9364627 DJCNLOONMGXTPL-SNAWJCMRSA-N 304.371 3.446 0 40 DGAB COC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 71793463 XRCLKWGWUMMJIO-UHFFFAOYSA-N 320.776 3.246 0 40 DGAB COC(=O)NCc1ccc(NC(=O)/C=C/c2ccsc2)cc1 72287090 YAZMJRQQZFTXTI-QPJJXVBHSA-N 316.382 3.256 0 40 DGAB Cc1cc(O)ccc1NC(=O)Cc1c(C)nn(C(F)F)c1C 76084398 RCPKKPFQBJQQKA-UHFFFAOYSA-N 309.316 3.090 0 40 DGAB O=C(NCc1ccccc1N1CCCC1)[C@@H]1C[C@@H]1c1ccco1 84504762 ODDZSQPYVBOXFE-JKSUJKDBSA-N 310.397 3.300 0 40 DGAB Cc1cccc(CN(C)C(=O)c2cc(-c3ccccc3)[nH]n2)n1 78027571 UJIWPDRIKFCYLX-UHFFFAOYSA-N 306.369 3.052 0 40 DGAB CN(C)C(=O)c1ccc(-c2noc(-c3ccc(F)cc3)n2)cc1 95403445 YTQXCMDMXLBZKA-UHFFFAOYSA-N 311.316 3.245 0 40 DGAB COc1ccc2c(c1)c(C(=O)Nc1cnn(C)c1)cn2C(C)C 95472079 BHFKTNZYYIPIPH-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB COCc1nc(C)cc(N2CCC[C@H](Nc3ccccc3)C2)n1 95415096 XYXLCWRHWLEBGJ-INIZCTEOSA-N 312.417 3.012 0 40 DGAB C[C@H](NC(=O)N[C@@H](c1ccco1)C(C)(C)C)C1CCOCC1 95417171 BPWVGAXZHMEONX-WFASDCNBSA-N 308.422 3.481 0 40 DGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCS[C@@H]2CCCC[C@@H]21 79053829 QIDIKHRCQGBDHY-VBNZEHGJSA-N 323.433 3.480 0 40 DGAB Fc1cccnc1N1CCC(OCCOc2ccccc2)CC1 95964504 WOKQTTNDNOGBGB-UHFFFAOYSA-N 316.376 3.285 0 40 DGAB COc1ccc(CN(C)Cc2ccccc2Br)cn1 89356254 GNIYVBVVDFGSOA-UHFFFAOYSA-N 321.218 3.485 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)CCc1nc2ncccc2[nH]1 79495320 XCGDLDWUROLBNW-CQSZACIVSA-N 322.412 3.028 0 40 DGAB Cc1ncc2c(n1)CN(Cc1csc(-c3ccccc3)n1)CC2 75128769 ZTMTZPLYYWXRGA-UHFFFAOYSA-N 322.437 3.467 0 40 DGAB CCN(CC)C(=O)[C@H](NCc1ncccc1C)c1ccccc1 75140154 QWFWYQKKTQLQOO-GOSISDBHSA-N 311.429 3.089 0 40 DGAB Cn1cc(CCCNCc2ccc(Cl)c3cccnc23)cn1 89755643 VDXVGWIBUXZNRQ-UHFFFAOYSA-N 314.820 3.344 0 40 DGAB CN[C@@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1 61886121 KHCZBRQXKFBDLU-DOTOQJQBSA-N 303.789 3.498 0 40 DGAB Cc1c(I)c(C(F)F)nn1C(C)C 408716781 QWAHSSAPHWTVBI-UHFFFAOYSA-N 300.090 3.315 0 40 DGAB O=C(Nc1ccccc1)c1nc2ccccc2nc1N1CCCC1 32642833 GMSBUHYPQSYYMX-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB CCOC(=O)c1cn(CC)c2cc(-c3ccncc3)ccc2c1=O 33506528 OHZAFYAURIOSNE-UHFFFAOYSA-N 322.364 3.260 0 40 DGAB COc1ccc(CCCNC(=O)COc2ccc(C)cc2)cc1 36113255 RLCIFOWABOTJKD-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB C[C@H](NC[C@@]1(CCO)CCOC1)c1cc2ccccc2s1 188154808 AZANZNGVCDSIAA-SUMWQHHRSA-N 305.443 3.341 0 40 DGAB CCOc1ccc(CNC(=O)COc2cc(C)ccc2C)cc1 218950773 VQZAXQRETQYLIY-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CCOc1cccc(CNC(=O)COc2cccc(C)c2C)c1 48373777 GTPMOFIHSWWRKN-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CC(C)c1cccc2c1CCN(C(=O)C1CCN(C)CC1)C2 188120789 DBKCQSSLHQFJAY-UHFFFAOYSA-N 300.446 3.037 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccsc2)N2CCC2)c(C)o1 225593333 REAZKHPGWVFJBJ-OAHLLOKOSA-N 304.415 3.135 0 40 DGAB CC1CCN(C(=O)c2cc3cc(Cl)ccc3oc2=O)CC1 226041812 XOGQBDNVUMIBHM-UHFFFAOYSA-N 305.761 3.319 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)N1CCOC[C@H]1C1CC1 89862249 HFFCRDPIUWOTRN-AWEZNQCLSA-N 323.824 3.049 0 40 DGAB OC1(CNCc2ccc(F)c(C(F)(F)F)c2)CCSCC1 96484924 UZPIAUAJASBIMZ-UHFFFAOYSA-N 323.355 3.192 0 40 DGAB O=C(NCc1nccs1)N[C@@H]1CCC[C@@H]1Cc1ccccc1 96415303 UIGINLJWYZBFAS-HUUCEWRRSA-N 315.442 3.354 0 40 DGAB O=C(CSC1CCCC1)N1CCO[C@H](c2ccccc2)C1 96025663 LNXVERWQXHVEJT-INIZCTEOSA-N 305.443 3.262 0 40 DGAB CCc1ccc(CC)c(-c2csc(CS(C)(=O)=O)n2)c1 96417544 RAIXYAXRUHQEFG-UHFFFAOYSA-N 309.456 3.480 0 40 DGAB COc1cc([C@H](C)N[C@@H]2CCc3nc(C)cn3C2)ccc1F 96489378 AKAAWMPZMUVNBJ-GXTWGEPZSA-N 303.381 3.005 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2sccc2S(C)(=O)=O)c1 96411630 UAGZXMCNJZOZOE-UHFFFAOYSA-N 309.412 3.021 0 40 DGAB O[C@H](Cn1cc(Cl)cn1)c1ccc(OC(F)(F)F)cc1 95438803 YZYBSUCYYSUEJH-LLVKDONJSA-N 306.671 3.169 0 40 DGAB O=C(c1ccco1)N1CCC(Oc2ccncc2Cl)CC1 244947559 DMCPDARLMVVZEN-UHFFFAOYSA-N 306.749 3.012 0 40 DGAB CCN1CCC(N2CCC(Cc3ccnc(C)c3)CC2)CC1 257271657 MZFPRHLOKTZOCX-UHFFFAOYSA-N 301.478 3.129 0 40 DGAB CCCC1(O)CCN(Cc2cnc([C@@H]3CCCO3)s2)CC1 585084715 YXRYPCFGWCIBLB-AWEZNQCLSA-N 310.463 3.122 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCC(Cc2ccncc2)CC1 257332607 XXZYHCGRTFJXLP-UHFFFAOYSA-N 316.351 3.455 0 40 DGAB CCn1cc(-c2nccnc2CC2CCN(C(C)C)CC2)cn1 257240001 HRRMFPMOXJGRNU-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB CCOCC[C@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 585104985 NCCPOFZRABVFBD-KRWDZBQOSA-N 318.461 3.188 0 40 DGAB Cc1ccccc1C(=O)N1CC[C@]2(CCCN2CC(C)C)C1 585099336 GEKFAFOINNZBSE-LJQANCHMSA-N 300.446 3.332 0 40 DGAB Cc1c(C(=O)N2c3ccccc3C[C@H]2C)[nH]c2c1C(=O)CCC2 44715620 IFDHNPLEYJBZHP-LLVKDONJSA-N 308.381 3.434 0 40 DGAB Cc1nncn1-c1cccc(NC(=O)c2ccc3cc[nH]c3c2)c1 95450804 RSAORZRKAZLUTE-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB COc1ccc(Cn2c(=O)sc3ccccc32)cc1OC 814284 HTMUXRBZBDQVEA-UHFFFAOYSA-N 301.367 3.129 0 40 DGAB NC(=O)c1ccc(NC(=S)Nc2ccc(Cl)cc2)cc1 13798484 SGVYYXFBBGLFGY-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB Cc1ccc(OCCN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)cc1 15102631 CSYYJUABWPZDKN-WMZOPIPTSA-N 318.461 3.001 0 40 DGAB C[C@H]1CN(C(=S)Nc2ccc(OC(F)F)cc2)C[C@@H](C)O1 16210988 JXPODBSWWUYMGN-AOOOYVTPSA-N 316.373 3.094 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N)cc2Cl)cc1OC 20343554 OBHPFJYGNGODSX-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(CCC(=O)N1CCOCC1)c1ccc(-c2ccccc2)cc1 9515869 SPCBEGLMPRQYBL-UHFFFAOYSA-N 323.392 3.175 0 40 DGAB CCn1cc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c2ccccc21 13228415 KFHGXUFCFBOELU-BETUJISGSA-N 301.390 3.302 0 40 DGAB O=C1Cc2cc(NC(=O)c3c(F)cccc3Cl)ccc2N1 17149680 WBBJOHOLVJVABW-UHFFFAOYSA-N 304.708 3.226 0 40 DGAB O=C(NCc1cncc(-c2ccoc2)c1)NCc1cccs1 575621391 WSHJLPYGXLGANH-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB O=C(NCC[C@@H](O)c1ccco1)c1ccc(Cl)cc1Cl 77111117 YKSHYVRVOFVYGU-GFCCVEGCSA-N 314.168 3.440 0 40 DGAB COc1ccc(C2=CCN(C(=O)COc3ccccc3)CC2)cc1 40119693 BFJUSQSOHPZXJO-UHFFFAOYSA-N 323.392 3.390 0 40 DGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@H]2CCCO2)cs1 40475568 XAKFVTZOYVGSFJ-MRXNPFEDSA-N 314.410 3.187 0 40 DGAB COc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1OC 197270 JXYVWQWICPKSPP-FMIVXFBMSA-N 315.350 3.110 0 40 DGAB N[C@@H]1N=C(c2ccc(Cl)cc2)C2=C(N1)c1ccccc1CC2 1648869 QYKUVRRPDDEXDP-GOSISDBHSA-N 309.800 3.332 0 40 DGAB Cc1c(C)n(Cc2ccco2)c2ncn(Cc3ccco3)c(=N)c12 101154972 QNRCYBZUEZXZNA-UHFFFAOYSA-N 322.368 3.217 0 40 DGAB CC1CCN(c2nc3sc4c(c3c3ncnn23)CCC4)CC1 2194222 YFIVOPXYMMRZCC-UHFFFAOYSA-N 313.430 3.064 0 40 DGAB COc1ccc(CCNC(=O)COc2ccc(Cl)cc2)cc1 296449 SSPSQIIODNARMP-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB O=C(Nc1cccc(Br)c1)c1cncc(Cl)n1 3851961 GSDHUCYPCWYWFH-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB biogenic CC(=O)Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 3629570 WRDDUWAOAXNARV-UHFFFAOYSA-N 310.762 3.049 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccc(Cl)s1 4107507 LWYHCMKFNSYAKA-UHFFFAOYSA-N 306.734 3.099 0 40 DGAB CCN(CC)[C@@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 347601 AHWONPJLHQVHGO-ZDUSSCGKSA-N 300.446 3.333 0 40 DGAB Cc1cnc(NC(=O)COc2cccc(C(F)(F)F)c2)s1 6790632 YBZFDFDUSBFXNP-UHFFFAOYSA-N 316.304 3.488 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 6903601 HWRKWCQYNPHHBN-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB COC(=O)c1cn(CC(=O)Nc2cccc(C)c2)c2ccccc12 6967382 RUDKPXHEKLERKH-UHFFFAOYSA-N 322.364 3.375 0 40 DGAB COc1ccc([C@@H]2C[C@@H](OC(C)=O)ON2c2ccccc2)cc1 481568 LOKIDVKJGMLQDP-ROUUACIJSA-N 313.353 3.467 0 40 DGAB O=C(Nc1cccc(Cl)n1)C1=NO[C@H](c2ccccc2)C1 81550332 MBTHIRMAGYBQMV-LBPRGKRZSA-N 301.733 3.191 0 40 DGAB Clc1cc(COc2ccc3c(c2)OCO3)cc2c1OCCO2 21998597 XQGUSYHZOGLDIN-UHFFFAOYSA-N 320.728 3.419 0 40 DGAB COC1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 53885808 CCMQRBZAHAZRQX-UHFFFAOYSA-N 303.333 3.337 0 40 DGAB COc1cc2ncnc(NCc3ccccc3F)c2cc1OC 1386816 LKCOSGLABKTVRI-UHFFFAOYSA-N 313.332 3.398 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(OC)c(N)c2)c1 57340425 ZTSNEUIFNISIER-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB Cn1ccc(NC(=O)N2CCC(Cc3cccc(F)c3)CC2)n1 107056816 LFQMVXMGCXULKH-UHFFFAOYSA-N 316.380 3.046 0 40 DGAB CC(=O)c1ccc(NC(=S)Nc2cccc(CO)c2)cc1 27232106 ZHZPRQVYHGRWIH-UHFFFAOYSA-N 300.383 3.190 0 40 DGAB O=C(OCc1ccccc1Br)[C@@H]1C[C@H]2CC[C@H]1O2 108349650 NMXCDTWXFUJZEW-NQBHXWOUSA-N 311.175 3.060 0 40 DGAB CCO[C@H](C)C(=O)NCc1cccc(CN2CCCCCC2)c1 58278468 JXTIZJLFCIMKPE-MRXNPFEDSA-N 318.461 3.104 0 40 DGAB COCc1cccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)c1 36392824 HWIDVVGLWNINEZ-WMLDXEAASA-N 305.418 3.158 0 40 DGAB CCONC(=O)c1ccc(-c2nnc(-c3ccccc3)o2)cc1 10893269 TVIHWOBLPUXIHY-UHFFFAOYSA-N 309.325 3.085 0 40 DGAB Cc1ccc(Nc2nnc(S[C@H]3CCOC3=O)s2)c(C)c1 3367213 ALGLRQJWJSXPNO-NSHDSACASA-N 321.427 3.306 0 40 DGAB Cc1cc(C)c2oc(-c3ccc(NC(N)=S)cc3O)nc2c1 20154561 CKMZSBUJBQXOMU-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)C(=O)NCCC1=CCCCC1 8230440 QAARJPHMKKDVJG-AWEZNQCLSA-N 315.417 3.203 0 40 DGAB Cc1cc(-c2csc(CCN3CCOC3=O)n2)c(C)s1 48640399 LPMHMJXJKFHJSM-UHFFFAOYSA-N 308.428 3.483 0 40 DGAB C[C@H](Sc1nc2ccccc2c(=O)n1C)C(=O)c1ccccc1 6260236 NJVNDLRTNQVIIS-LBPRGKRZSA-N 324.405 3.297 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2ccncc2)ccc1OC(F)F 5226934 ROKPJUHHQXFOQD-JTQLQIEISA-N 322.311 3.183 0 40 DGAB CC(C)(C)c1cnc(CN2CC[C@@H](CNc3ccccn3)C2)o1 65457902 FAASUHNCFJKLAJ-AWEZNQCLSA-N 314.433 3.301 0 40 DGAB COc1cccc(CN(C)Cc2nc(O)c3sccc3n2)c1 14018338 HXLTUVOBYMYKPJ-UHFFFAOYSA-N 315.398 3.038 0 40 DGAB CC(C)N1C(=O)S/C(=C/c2ccc(N3CCCC3)o2)C1=O 409023254 ZMMYSUFDPCHLND-FMIVXFBMSA-N 306.387 3.325 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC[C@@H](C)CC1 65534474 NYVRSECLAHQJPD-UKRRQHHQSA-N 312.413 3.150 0 40 DGAB COC[C@@H](C)NC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14189635 WTGMDCXQHJRCAG-GFCCVEGCSA-N 303.333 3.383 0 40 DGAB Cc1ccc2oc(C(=O)N3CCc4ccccc4C3)cc(=O)c2c1 14142296 SFYBILKAIHFLRQ-UHFFFAOYSA-N 319.360 3.300 0 40 DGAB CCCCNC(=S)N1CCN(c2cccc(Cl)c2)CC1 5503803 FXDIFQQTFQSKRG-UHFFFAOYSA-N 311.882 3.137 0 40 DGAB CC(C)c1cc(N2CCOC3(CCOCC3)C2)nc(C(C)C)n1 90113318 JFFXZUKSLXNSSY-UHFFFAOYSA-N 319.449 3.109 0 40 DGAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccncc1 7338610 BLXRMQHZZOJIPM-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB CC(C)(C)C(=O)c1nnn(-c2cccc(C(F)(F)F)c2)c1N 71328593 AVPMRYLVXGTQRY-UHFFFAOYSA-N 312.295 3.097 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)C1CCCC1 84017059 XTXBRADRXDXMMV-UHFFFAOYSA-N 319.430 3.173 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)Nc2ccccc2O)cc1 9364383 XSWDKBLXTKRXCU-UHFFFAOYSA-N 316.382 3.081 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cc(Cl)c[nH]1 9337128 YYCYUWWIFAZMKO-UHFFFAOYSA-N 306.749 3.026 0 40 DGAB CCN(Cc1nc(-c2cnn(C)c2)cs1)C(=O)OC(C)(C)C 89969389 YUDDBYDYTKUILQ-UHFFFAOYSA-N 322.434 3.301 0 40 DGAB O=C(COc1ccccc1-c1ccccc1)Nc1c[nH]ccc1=O 71812677 FVNGPLCDZBTWAR-UHFFFAOYSA-N 320.348 3.059 0 40 DGAB CCOCCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 71909304 WWHZIDZZEVRKEK-MRXNPFEDSA-N 318.461 3.145 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)c1ccc(-c2ccco2)[nH]c1=O 71903760 ZANVGHBEYQFEEZ-UHFFFAOYSA-N 319.320 3.369 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C(=O)[C@H]2CCCOC2)c1 71900182 HPUXWFIKNVLWCC-SFHVURJKSA-N 324.424 3.345 0 40 DGAB CSC[C@@H](C)NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 97080515 SWRSFOCVTOFXMA-BXUZGUMPSA-N 324.494 3.405 0 40 DGAB Cc1nc2ccccc2c(N2CCO[C@H](c3cnn(C)c3)C2)c1C 97085996 UCWMCZYAHIPESK-SFHVURJKSA-N 322.412 3.163 0 40 DGAB Cc1nc(NC(=O)/C=C/c2cccnc2)ccc1Br 72512161 ZRZLVGRAVXJNRM-QPJJXVBHSA-N 318.174 3.199 0 40 DGAB C[C@@H](O)CNCc1cn(-c2ccccc2)nc1-c1cccs1 72713919 ZBBDFMGANJJKFV-CYBMUJFWSA-N 313.426 3.071 0 40 DGAB C[C@@H](O)C[C@@H](C)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 84636999 GADFETGEPJZPFG-CHWSQXEVSA-N 311.853 3.432 0 40 DGAB Cc1ccccc1SCC(=O)NCc1cc(C(=O)O)c(C)o1 95361117 SHNQSCMJZWLYQL-UHFFFAOYSA-N 319.382 3.003 0 40 DGAB CC(=O)N1CC[C@@H](NCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 84714856 ZQYZBBYDDZOQAU-KBXCAEBGSA-N 302.462 3.331 0 40 DGAB COc1cc(C)c([S@@](=O)Cc2ncc(C(C)C)o2)cc1OC 95414526 LPLQJMYWEHGEMR-JOCHJYFZSA-N 323.414 3.431 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)NCc2csc(C3CC3)n2)C1 78941670 ZMOGCBYRFHYZBW-PWSUYJOCSA-N 311.476 3.104 0 40 DGAB CCOc1ccc(CCC(=O)N(C)C[C@H]2CCCC[C@H]2O)cc1 95994581 UNSOWTIRCQAAOV-SJLPKXTDSA-N 319.445 3.027 0 40 DGAB COc1cc(CN(C(=O)c2cc(C)c(C)o2)C2CC2)ccc1O 95976921 KMQRXPSFVXSOQS-UHFFFAOYSA-N 315.369 3.415 0 40 DGAB CCOCCN1CCN(Cc2ccc(Cl)s2)C[C@@H]1CC 95950834 XOXYLNIJBIJULC-ZDUSSCGKSA-N 316.898 3.334 0 40 DGAB C[C@@H](CO)CS[C@@H](C)C(=O)Nc1cc(Cl)ccc1F 74788146 SLDDLFUIGHKUSO-IUCAKERBSA-N 305.802 3.168 0 40 DGAB CC(C)C[C@@H](O)CNC(=O)Nc1ccccc1C(F)(F)F 75126284 JMVBCCDTYCDLBP-SNVBAGLBSA-N 304.312 3.234 0 40 DGAB O=c1c2cc(F)ccc2ncn1[C@@H]1CCc2ccccc2N=C1O 36360917 VAEACFCFVRAVDM-MRXNPFEDSA-N 323.327 3.311 0 40 DGAB CCn1nc(C)c(CNc2nnc(CC3CCCC3)o2)c1C 181810738 QWJIVDYTLNFWDP-UHFFFAOYSA-N 303.410 3.248 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)C(C)(C)CO1 36075979 KSBJZNDHTOCIGJ-JTQLQIEISA-N 301.308 3.345 0 40 DGAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@@H](N)C[C@H]1C 520723067 JDZBWUVMOAFAAT-BFYDXBDKSA-N 318.461 3.224 0 40 DGAB O=C(NCC1CCC(F)(F)CC1)c1cccc2oc(O)nc12 564344889 AMYGPQXUFCGDOL-UHFFFAOYSA-N 310.300 3.089 0 40 DGAB Cn1cnc(-c2ccc(C(F)(F)F)cc2Br)n1 2362801635 MFHDJOQYJFEUKL-UHFFFAOYSA-N 306.085 3.263 0 40 DGAB CC(C)n1cc(I)c(=O)c2ccccc21 72207209 BMRFGMPRAFFDST-UHFFFAOYSA-N 313.138 3.187 0 40 DGAB CN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCCN2C=O)cn1 72214470 JDQREDXUUYLRRR-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB Nc1nc(-c2ccc(F)cc2)cc(-c2ccc3c(c2)OCO3)n1 71977690 ZCNXAUJJXKVCGV-UHFFFAOYSA-N 309.300 3.261 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)N[C@H](C)CC 225666357 XZDHLKDTZJXGMY-CZUORRHYSA-N 322.424 3.258 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)(C)C 224050767 XVNIUWQNXAZYRD-LBPRGKRZSA-N 324.852 3.382 0 40 DGAB C[C@H]1CCSCCN1C(=O)Nc1ccc(C(C)(C)C)nn1 225402658 KEWOOFGNZBZEJW-NSHDSACASA-N 308.451 3.133 0 40 DGAB Cc1cc(=O)c(C(=O)NC(C)(C)c2ccc(F)cc2Cl)c[nH]1 81402200 CAPKXKWRGAFCQW-UHFFFAOYSA-N 322.767 3.141 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NC(C)(C)Cc1ccccc1 225601299 LRONTZNOGCLRAK-UHFFFAOYSA-N 321.417 3.434 0 40 DGAB Cc1cc(C)cc(NC(=O)c2cn(C)c3ccccc3c2=O)c1 41056930 GWKCGDAWTFUYBI-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB O[C@H](c1cc(C(F)(F)F)ncc1Br)C(F)(F)F 91356086 FFCWYSAHZZYWLC-ZCFIWIBFSA-N 324.018 3.459 0 40 DGAB O=C(O)c1ccc(OC(F)(F)[C@H](F)OC(F)(F)F)cc1 98210723 ZAHWGTRXNJVLNR-MRVPVSSYSA-N 304.142 3.188 0 40 DGAB Cc1nc(C2CC2)oc1C(=O)N[C@H](C(C)C)C1(CO)CCCC1 580215313 USAPCVIOAHWROU-OAHLLOKOSA-N 320.433 3.168 0 40 DGAB CCCCSCCC(=O)Nc1ccn(Cc2ccncc2)n1 96416434 AVOCVTAVAJCIFM-UHFFFAOYSA-N 318.446 3.188 0 40 DGAB Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2cc(F)ccc2F)n1C 96423557 MHVQUBLHCOKAQK-ZFWWWQNUSA-N 304.340 3.032 0 40 DGAB CC(C)(C)OC(=O)CCSCc1nc(N)c2ccccc2n1 252507799 WUBNYUPSARVERJ-UHFFFAOYSA-N 319.430 3.177 0 40 DGAB CC[C@@H](C)n1ccc(NCc2cnn(CC(F)(F)F)c2)n1 256053375 REABSFRSPDUZQE-SNVBAGLBSA-N 301.316 3.225 0 40 DGAB c1cncc(OCC[C@@H]2CN(C3CCCC3)Cc3ccnn32)c1 253588909 YQVLHDWEXDBJMI-QGZVFWFLSA-N 312.417 3.047 0 40 DGAB CC1(C)CC[C@@H]2C[C@H](NC(=O)CCn3cncn3)c3cccc1c32 390834125 SKODKZYMQAYJHR-CJNGLKHVSA-N 324.428 3.084 0 40 DGAB CCN(Cc1ccc(F)c(F)c1)C(=O)NCc1cccnc1 56359027 PTSCDHVSIXUFGN-UHFFFAOYSA-N 305.328 3.092 0 40 DGAB CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C 77028582 JMOUFFUEOMOHGD-UHFFFAOYSA-N 315.369 3.354 0 40 DGAB in-vitro CCc1ccc(NC(=O)c2ccccc2S(=O)(=O)CC)cc1 14014943 JTDBVJAQKQQQMF-UHFFFAOYSA-N 317.410 3.295 0 40 DGAB COc1ccc(-c2c(C)nn3c(=O)cc(C(C)(C)C)[nH]c23)cc1 17879098 OZOPXAHTHVLNOY-UHFFFAOYSA-N 311.385 3.304 0 40 DGAB C[C@H]1CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C[C@@H](C)O1 19717970 YHHNBMRJYBQORH-OKILXGFUSA-N 322.412 3.234 0 40 DGAB CCN(CC(=O)NC(C)C)C(=O)c1cc(Cl)sc1Cl 8776900 GEAAIJFASSPUBO-UHFFFAOYSA-N 323.245 3.042 0 40 DGAB O=C(CSc1nc(C2CCCC2)n[nH]1)NC1CCCCCC1 12103542 MABBHTQXPYNBNW-UHFFFAOYSA-N 322.478 3.393 0 40 DGAB COc1cccc(CN(C)C(=O)c2ccc(C)c(F)c2)c1OC 21635874 YTTHKCOQJMEKTK-UHFFFAOYSA-N 317.360 3.424 0 40 DGAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2nnc(C)s2)c1 40489551 REQKKIXWCTZXNI-UHFFFAOYSA-N 303.387 3.065 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(C)C)[C@@H]2C1=O 100046109 VWCQAZFZWPMLER-OSLDLMBLSA-N 323.392 3.343 0 40 DGAB Cc1cccnc1OCC1CCN(C(=O)[C@@H]2CC=CCC2)CC1 585526041 FYYIPUIOJAUYEG-QGZVFWFLSA-N 314.429 3.364 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 40025473 ZKGSZUNLVDZCCW-AWEZNQCLSA-N 323.820 3.074 0 40 DGAB Cn1cc(-c2nc(C(=O)NCCC3=CCCCC3)cs2)cn1 40142819 LCWNNDKRKDDEAJ-UHFFFAOYSA-N 316.430 3.164 0 40 DGAB Cc1nc(NC(=O)c2cnsn2)sc1-c1ccccc1 40150853 AGMZOZYSWQFNBR-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB CCCOc1cccc(N[C@H](C)C(=O)Nc2cc(C)on2)c1 30495078 ZMLWEBSMUUFQAQ-GFCCVEGCSA-N 303.362 3.211 0 40 DGAB Clc1ccc(SCc2nc(Cc3ccccc3)no2)nn1 31655177 CKIKAYYOXUKWDL-UHFFFAOYSA-N 318.789 3.396 0 40 DGAB Cc1ncsc1C(=O)NCc1cccc(COC(C)C)c1 40541846 UFKLBCWUNLZEOJ-UHFFFAOYSA-N 304.415 3.307 0 40 DGAB O=Cc1nc(Br)c(-c2c(F)cccc2Cl)[nH]1 1857794830 LZBQGZQGKIPCIG-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB COCCn1cc(NC(=O)N[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)cn1 45637394 LILJJTCTUZRVEA-FVQBIDKESA-N 322.453 3.112 0 40 DGAB COc1cccc([C@@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)c1 1607714 OBEWQTCNLDQARO-KSSFIOAISA-N 314.337 3.047 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(N2CCCC2=O)cc1 6769354 RSFLLFJBDUYEGM-UHFFFAOYSA-N 308.381 3.086 0 40 DGAB CN(Cc1csc2ccccc12)c1ncnc2c1cnn2C 52241328 OMYZLCVWKCKKMB-UHFFFAOYSA-N 309.398 3.214 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)s2)cc1 10511228 VZBZHFUYJOEPME-UHFFFAOYSA-N 315.803 3.057 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NCc1ccccc1Cl 8041164 NHFDSFFLUZGQDQ-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB O=C(COc1ccccc1F)c1ccc(N2CCCC2=O)cc1 7549234 IYHSJMKPXISRNO-UHFFFAOYSA-N 313.328 3.214 0 40 DGAB O=C(CCC1CCCC1)N1CCN(c2ccccc2F)CC1 505464 BKILCZBLLDMIIO-UHFFFAOYSA-N 304.409 3.445 0 40 DGAB CC(C)CNC(=S)Nc1cnn(Cc2ccccc2F)c1 2793555 SDUCDNWQSRQLDF-UHFFFAOYSA-N 306.410 3.013 0 40 DGAB CC[C@H]1CCCCN1Cc1ccc(NC(=O)CCC(=O)O)cc1 818819 ZMUDKKJNQULOGV-INIZCTEOSA-N 318.417 3.254 0 40 DGAB COc1ccccc1NC(=O)N(C)Cc1nc2ccccc2[nH]1 23151845 LQQIOGSXYPAXNJ-UHFFFAOYSA-N 310.357 3.235 0 40 DGAB c1ccc(N2CCCN(Cc3nc(-c4ccoc4)no3)CC2)cc1 105608292 GTOQAYCUIHUCAJ-UHFFFAOYSA-N 324.384 3.042 0 40 DGAB O=C(CCC1CCCCC1)N[C@H]1CCCc2[nH]c(=O)ccc21 43055518 DUFXSNUTBUPURW-HNNXBMFYSA-N 302.418 3.229 0 40 DGAB CN(Cc1ccc(Cl)s1)C(=O)c1ccnc(N(C)C)c1 47747554 YOMUZMXAUHJZTF-UHFFFAOYSA-N 309.822 3.135 0 40 DGAB COc1ccccc1CN[C@H](CN1CCCC1=O)c1ccccc1 47794797 YBIYHWVJLKUZKH-GOSISDBHSA-N 324.424 3.149 0 40 DGAB CC(C)N(C(=O)[C@H](C)Oc1ccc2ccc(=O)oc2c1)C(C)C 7634478 GOWKIDSMXHIEHU-ZDUSSCGKSA-N 317.385 3.206 0 40 DGAB O=C(COC(=O)/C=C/c1ccc(F)cc1)NC1CCCCCC1 7653824 BTOXTLAQCNUHNH-FMIVXFBMSA-N 319.376 3.221 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2ccccc2C)c(C)c1 57471975 KOMJSUURJKNICI-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1ccccc1OS(=O)(=O)c1ccc(Cl)s1 16090365 WIAKWUSVYCNSBT-UHFFFAOYSA-N 304.776 3.178 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)N1CCC(n2cccn2)CC1 109026148 MWTBITTYHHKWLI-UHFFFAOYSA-N 306.316 3.030 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1n[nH]c2ccccc12 12540831 OTMNRNZVMMWMJZ-LBPRGKRZSA-N 309.369 3.371 0 40 DGAB O=C(Nc1cccc(CN2CCSCC2)c1)c1ccco1 58282745 OWLCUZYZILHKPT-UHFFFAOYSA-N 302.399 3.081 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccs2)cc1 3261021 BTMBVJLFXSFCPA-LLVKDONJSA-N 303.383 3.495 0 40 DGAB O=C(CSc1nnc2ccccn12)c1cc2ccccc2o1 3349861 PEWOQHOCQOADPZ-UHFFFAOYSA-N 309.350 3.451 0 40 DGAB O=C(NCCc1ccco1)c1ccc(CN2CCCCC2)cc1 12782782 SGCZAYAMINXGHU-UHFFFAOYSA-N 312.413 3.238 0 40 DGAB CC(=O)c1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1 3499971 VHUKYGGLESEZKR-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB c1ccc2sc(N3CCN(c4nccs4)CC3)nc2c1 12908827 OMBYIGMNBNHOHM-UHFFFAOYSA-N 302.428 3.079 0 40 DGAB Cc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1C 12939674 DAJPAWVOBCPKSD-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CC(C)c1nn(C)cc1CNCc1ccccc1Cn1cccn1 48685185 MNUFPOYYYOQTRV-UHFFFAOYSA-N 323.444 3.078 0 40 DGAB CCCCc1c(O)c2c([nH]c1=O)C[C@H](c1ccccc1)CC2=O 4114648 IFRBGIPRJDKYMX-ZDUSSCGKSA-N 311.381 3.336 0 40 DGAB CSc1ccc(CNC(=O)NCc2c(C)noc2C)cc1 69738258 ILXGJCZOQMTHLU-UHFFFAOYSA-N 305.403 3.013 0 40 DGAB CC(C)NC(=O)C(=O)Nc1cc(F)ccc1Oc1ccccc1 69777044 KONFGRMQCAWPPL-UHFFFAOYSA-N 316.332 3.081 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)c(C)c1 8130437 FENQBSQNTKQMLF-UHFFFAOYSA-N 307.390 3.345 0 40 DGAB NC(=O)c1ccc(OCc2ncc(-c3ccc(F)cc3)o2)cc1 8225135 KCYYIABSRAZMHY-UHFFFAOYSA-N 312.300 3.159 0 40 DGAB Cc1ccccc1NC(=O)CSc1ncn(-c2ccccc2)n1 4656053 ZUVOUKHXTFIYDF-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C 69202047 ZAZODLYPWQBDRP-CHWSQXEVSA-N 305.422 3.443 0 40 DGAB COc1ccc(C(=O)COC(=O)c2cc3ccccc3[nH]2)cc1 5531533 WHDDKBNXISLYQJ-UHFFFAOYSA-N 309.321 3.216 0 40 DGAB CC1=CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)O)C1 4713585 VOKRAUZDTBXLAD-WDEREUQCSA-N 316.382 3.292 0 40 DGAB CCCc1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 4943111 JHQYREYQXWZNEE-UHFFFAOYSA-N 311.794 3.406 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2cc(C)oc2C)c1 4930969 IIVHVKRVSYRCTL-ZDUSSCGKSA-N 301.342 3.389 0 40 DGAB COc1ccc(C(=O)CSc2nnc(C3CC3)o2)cc1F 7289967 DQKCTWCQJFQBNL-UHFFFAOYSA-N 308.334 3.070 0 40 DGAB COc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8849040 XCWLTVYJOHGQRV-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB COc1ccsc1C(=O)N[C@H](C)CC(=O)c1ccccc1 89894647 PTJRWYKCIJUCPW-LLVKDONJSA-N 303.383 3.148 0 40 DGAB COc1cc(C)ccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 9112395 OYLUCQBPULACEL-CYBMUJFWSA-N 317.360 3.399 0 40 DGAB O=C(Cc1ccon1)NCCc1cccc(-c2ccccc2)c1 89851203 DSAPEYQBBVHUPY-UHFFFAOYSA-N 306.365 3.243 0 40 DGAB O=C(c1ccc[nH]1)N1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96008126 WCOKHIYUFARBNX-AWEZNQCLSA-N 324.302 3.247 0 40 DGAB O=C(CNc1cccc(CC(F)(F)F)c1)NCc1ccco1 96427590 AYACHMYPAOJQKX-UHFFFAOYSA-N 312.291 3.113 0 40 DGAB CCc1nc([C@@H]2CCCN2C(=O)c2cc(C)sc2C)no1 72299201 PFPZUGIPTXFIKK-LBPRGKRZSA-N 305.403 3.288 0 40 DGAB CCN(C1CCCCC1)S(=O)(=O)c1cncc(Cl)c1 89960916 ZBEFTPNCXBITPI-UHFFFAOYSA-N 302.827 3.078 0 40 DGAB Cn1cccc(NC(=O)CSc2ccc3ccccc3c2)c1=O 71905505 QLRIBCVJFZYDKU-UHFFFAOYSA-N 324.405 3.269 0 40 DGAB COc1ccc(-c2noc(-c3cc(C(C)C)[nH]n3)n2)cc1OC 9638113 GJBTVJJMLFNODD-UHFFFAOYSA-N 314.345 3.267 0 40 DGAB CCc1cc(C(=O)NCC2CCN(C(=O)[C@H](F)CC)CC2)n[nH]1 97372841 GOWSXMPAFKYQDY-LIEFOEBCSA-N 324.400 1.689 0 40 DGAB CN1CCC[C@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@@H]21 95436252 XMENLKXELBYEBF-GJZGRUSLSA-N 312.523 3.241 0 40 DGAB CC(C)OC[C@H](O)CN(Cc1ccco1)Cc1cccs1 98066300 UPNIIWZWBSNHKT-CQSZACIVSA-N 309.431 3.129 0 40 DGAB CC(C)n1cc([C@@H](C)NC[C@]2(O)CCCc3ccccc32)cn1 95967851 XTXPPEICVCQWLD-DNVCBOLYSA-N 313.445 3.339 0 40 DGAB O=C(c1ccccc1NCCC1=CCCCC1)N1CC[C@@H](O)C1 95979074 YNWARMBYJKTYDY-MRXNPFEDSA-N 314.429 3.196 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(CC)cc2)[C@H](CC)C1 89284874 OTSJTBKSSPNTIM-MSOLQXFVSA-N 302.462 3.376 0 40 DGAB Cc1cc(C)c(/C=c2\sc3nc4ccccc4n3c2=O)cc1C 408718242 DPTDZDXCHUTSHJ-YVLHZVERSA-N 320.417 3.382 0 40 DGAB Cc1cc(O)ccc1CC(=O)N1CC=C(c2ccccc2C)C1 1528094613 KWSFOAIJABRFJK-UHFFFAOYSA-N 307.393 3.477 0 40 DGAB C[C@H](Oc1ccccc1F)C(=O)Nc1cccc2nsnc12 35672855 MSYWBLBRXFXPKW-VIFPVBQESA-N 317.345 3.236 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 30005282 PYXSMRYVALSRMF-ZDUSSCGKSA-N 313.401 3.200 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(SC(F)(F)F)cc2)CCO1 40024238 YWHKLFPUCIYSDA-SECBINFHSA-N 305.321 3.159 0 40 DGAB Cc1cc(C)c2oc(=O)cc(CN3C[C@H](C)O[C@H](C)C3)c2c1 16738342 GPKXOXKYDFBUGR-OKILXGFUSA-N 301.386 3.019 0 40 DGAB biogenic CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccccc1 224667677 HCKZTRGCMKGITF-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB c1ccc2c(c1)CCOC21CCN(c2ncnc3[nH]ccc23)CC1 570180508 BIVKXJOBYWXLGI-UHFFFAOYSA-N 320.396 3.026 0 40 DGAB CCOc1ccc(C[C@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225107759 MYIGKCWMFCBIOW-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB O=C(COc1cccc2c1CCCC2)NCCCc1ccco1 225774393 AAIWBWJQAVKVLT-UHFFFAOYSA-N 313.397 3.286 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NCC(C)C 224173719 KNFJAZAULAMXRR-MRXNPFEDSA-N 318.461 3.284 0 40 DGAB CCOC(=O)COc1cccc(C(=O)Nc2ccccc2F)c1 48375097 ARVIWBNOWJYXMN-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814522 ORNXTNHATNAANS-CYBMUJFWSA-N 301.390 3.282 0 40 DGAB C[C@@H]1C[C@@H](CNC(=O)c2cccc(O)c2)CN1Cc1ccccc1 195556819 ZJRLWPBKBXIZCK-WBVHZDCISA-N 324.424 3.033 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccncc2)C[C@@H]1Cc1cccc(C)c1 96110205 RXDDRDGQDZUHDS-RBUKOAKNSA-N 324.424 3.110 0 40 DGAB COc1ccc(C[C@H]2CN(Cc3ccoc3)CC[C@@H]2OC)cc1 96110546 NREKRLKYPKSBJZ-HKUYNNGSSA-N 315.413 3.368 0 40 DGAB Cc1ccnc(NC[C@@H]2CCN(Cc3cnc(C)s3)C2)c1 97200809 UNYVGTDKUPXPCX-AWEZNQCLSA-N 302.447 3.089 0 40 DGAB CC(C)n1cc(C(=O)N[C@H]2CN3CCC2CC3)c2ccccc21 95479266 KUULWKPQAXGQAA-KRWDZBQOSA-N 311.429 3.046 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNC1CCN(C[C@@H]2CCOC2)CC1 97098961 WNBOKGZMGSWSCE-JENIJYKNSA-N 306.494 3.069 0 40 DGAB COc1ccnc(CSCc2cnc3c(c2)c(C)nn3C)c1 97094899 XRPGOYZSMRYQOX-UHFFFAOYSA-N 314.414 3.114 0 40 DGAB CCOC(=O)[C@@H]1[C@@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@H]21 248317792 NNSGKJRIAUOMNB-QPIFLIKFSA-N 320.772 3.263 0 40 DGAB Cc1csc(C(=O)N2CC[C@@H](c3nc(C)cc(C)n3)C2)c1 257307753 TTYCVVRREDHPJD-CYBMUJFWSA-N 301.415 3.093 0 40 DGAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)/C=C/c1ccccc1 96098558 RBRDKTYTGZXNSW-ZHACJKMWSA-N 322.412 3.346 0 40 DGAB O=C(c1ccsc1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830784 NKVMYABCGOZFPT-KBPBESRZSA-N 314.410 3.358 0 40 DGAB CC[C@@H](Sc1nncn1C1CC1)C(=O)c1ccc(OC)cc1 70037873 RBSRHLMDSMMIGR-CQSZACIVSA-N 317.414 3.375 0 40 DGAB CN(CCC(F)(F)F)C(=O)c1csc(-c2ccco2)n1 65759656 CCNHEGKSJSENHV-UHFFFAOYSA-N 304.293 3.428 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(C)cc1C)c1ccncc1 95961872 IBNGJUIBWVMZHC-OAHLLOKOSA-N 304.415 3.128 0 40 DGAB c1cc(-c2ccc(-c3noc(CN4CCCCC4)n3)cc2)ncn1 12337087 KORXEKHWQPPTTK-UHFFFAOYSA-N 321.384 3.180 0 40 DGAB CC(=O)Nc1nc(C)c(-c2nc(-c3cccc(C)c3)no2)s1 15669992 MRCXYISZSPVUBD-UHFFFAOYSA-N 314.370 3.435 0 40 DGAB CSc1nc(NC(=O)Nc2ccc(Cl)c(Cl)c2)n[nH]1 16248663 JRQVXQWVLOWGPC-UHFFFAOYSA-N 318.189 3.477 0 40 DGAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@@H]2CCCO2)n1 19240138 WQLMOCLWOUFZLK-STQMWFEESA-N 322.455 3.092 0 40 DGAB CN(C)[C@H](CCC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 521394349 GRTPCGRBEIURRX-DLBZAZTESA-N 318.461 3.143 0 40 DGAB Cc1cnc(OC[C@@H]2CCCN(c3ccc(Cl)cn3)C2)nc1 1776000717 HERIHPUPIQHJAP-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1cc2nc(C)ccc2o1 8798658 VJOXKZIUQWHMDN-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1ccno1 38678741 CVSCWHDQFSBZLF-UHFFFAOYSA-N 313.338 3.241 0 40 DGAB COc1cccc2cc(C(=O)NCc3cc(C4CC4)ncn3)oc12 585360733 QFPQKUAEFSWGSB-UHFFFAOYSA-N 323.352 3.039 0 40 DGAB O=C1O[C@H](Nc2ccc(Br)cn2)c2ccccc21 20170641 RUJAXARQZZSRFQ-LBPRGKRZSA-N 305.131 3.125 0 40 DGAB NC(=O)NC[C@@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 40555608 JWEGNPWDCGTFFR-AWEZNQCLSA-N 321.424 3.137 0 40 DGAB O=C(Nc1cc(Cl)cc(Cl)c1)C(=O)NC1CCCCC1 2534565 FJDWRHSTNQRFPL-UHFFFAOYSA-N 315.200 3.381 0 40 DGAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)OCCO3)c1 7968724 UFMHMHRZBYKELH-SOFGYWHQSA-N 323.348 3.312 0 40 DGAB CC(=O)O[C@H]1c2ccccc2C[C@]2(OC(C)=O)c3ccccc3[C@H]12 1712200 QILKONMDKUVPBN-AABGKKOBSA-N 322.360 3.403 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(Cl)s1 2640364 HSDZJCDBEDZJOF-UHFFFAOYSA-N 309.746 3.481 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(OC)cc2)cc1 3422959 ZDGXHTSLZZVDKN-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB Cn1c(SCC(=O)c2ccc(F)cc2)nc2cccnc21 4092988 FQUSUYBKQGWUQJ-UHFFFAOYSA-N 301.346 3.082 0 40 DGAB O=C(NC1CCCCC1)c1ccccc1OC[C@@H]1CCCO1 32491748 MJMRMMORDXNIBV-HNNXBMFYSA-N 303.402 3.307 0 40 DGAB CC(C)CCN(c1ccc2nnc(C(F)(F)F)n2n1)C1CC1 32788502 HDTOEWMTLAZAFS-UHFFFAOYSA-N 313.327 3.158 0 40 DGAB C[C@@H](CC(=O)N[C@@H](C)c1ccccc1)NC(=O)c1ccccc1 32736088 QDJNVMWZYOMQEL-GJZGRUSLSA-N 310.397 3.072 0 40 DGAB Cc1nc2cc(NC(=O)c3cc4ccccc4c(=O)[nH]3)ccc2o1 32721456 NBCSMTWLURIICC-UHFFFAOYSA-N 319.320 3.230 0 40 DGAB CCCc1ccc(C(=O)[C@@H](C)Sc2nnc(N)s2)cc1 2623673 JSLYAOLLIYLLTQ-SECBINFHSA-N 307.444 3.436 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 58168229 QLGSEEALMUENKX-SSDOTTSWSA-N 324.283 3.355 0 40 DGAB COc1ccc(C(=O)N(C)C2CCC(C)CC2)c(OC)c1OC 32841640 VOPKTTCOTYFQKN-UHFFFAOYSA-N 321.417 3.363 0 40 DGAB CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)NC(C)C 535616 NKJSQPVZLYSDOD-UHFFFAOYSA-N 307.325 3.014 0 40 DGAB Cc1cccc(C2(C(=O)NCc3nc4ccccc4[nH]3)CC2)c1 53132804 TUXQFLQSIZVNCJ-UHFFFAOYSA-N 305.381 3.219 0 40 DGAB Cc1ccc2cc(CN3CCN(C)CC3)c(Cl)nc2c1C 22876106 UPLGFKPDABKCOK-UHFFFAOYSA-N 303.837 3.252 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)N[C@@H]1CCOc2ccccc21 25053686 ZVGVZAUBIVPWOU-HZPDHXFCSA-N 324.380 3.333 0 40 DGAB CN(C(=O)c1cnc2ccccc2n1)[C@@H]1CCc2ccccc21 24774824 YVAZWSVEGSKWOK-GOSISDBHSA-N 303.365 3.389 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(SC)ccc1C 24728945 IWZMIANEOWJHHJ-CQSZACIVSA-N 309.431 3.034 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C)cc1C 113960841 HMAXQMUIOQRBET-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB C[C@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccc(F)cc1 12539499 JINRDCMWHHMQEQ-JTQLQIEISA-N 312.300 3.130 0 40 DGAB CCc1ccccc1N[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 12512720 GFCKDGFBXXHLAF-GFCCVEGCSA-N 312.369 3.417 0 40 DGAB C[C@@H](NC(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 3297834 SWAFSXYWOKZARU-GFCCVEGCSA-N 317.772 3.374 0 40 DGAB CCC[C@@H](C)N(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1C 58330940 HHHSXVJHLPRTJH-CYBMUJFWSA-N 305.422 3.349 0 40 DGAB COc1c(N)cc(-c2nc3cnccc3o2)cc1Br 26509104 XAZQVNFZCHFHSL-UHFFFAOYSA-N 320.146 3.243 0 40 DGAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c(C)c1 48332024 WLDZXCFQZUTRHG-HOTGVXAUSA-N 302.462 3.401 0 40 DGAB O=C(CSc1ccc(F)cc1)NC(=O)NC1CCCCC1 3532946 NNWIJCFPBCIHNH-UHFFFAOYSA-N 310.394 3.076 0 40 DGAB Cc1cc(C)n(CCN2CCC(COc3ccccc3)CC2)n1 69220987 YWQRUOIAMCFKHJ-UHFFFAOYSA-N 313.445 3.291 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)Nc1cc(F)ccc1F 13069896 KDPBOWSZONUWDL-LLVKDONJSA-N 320.339 3.263 0 40 DGAB O=C(CC(C1CC1)C1CC1)N1CCCC[C@H]1Cn1cccn1 70018323 UEPJANYTTNXUSN-INIZCTEOSA-N 301.434 3.091 0 40 DGAB COc1cc2c(cc1-c1nc3ccc(C(=O)O)cc3[nH]1)O[C@H](C)C2 48877325 VENVUUDILZSJKX-SECBINFHSA-N 324.336 3.260 0 40 DGAB CC(=O)NCc1ccc(C(=O)N2CCC[C@H]2C2CCCCC2)o1 69378656 BXLXYRKQNVNQGY-INIZCTEOSA-N 318.417 3.101 0 40 DGAB C[C@H]1CN(c2nn3cc(C(C)(C)C)nc3s2)CC(C)(C)O1 65280747 RHYDPAMHQFJKPW-JTQLQIEISA-N 308.451 3.092 0 40 DGAB Fc1ccc(-n2nnnc2-c2c[nH]c3c(F)cc(F)cc23)cc1 4568170 LHKKZBRYPCHZCG-UHFFFAOYSA-N 315.258 3.228 0 40 DGAB C1CCC(CN[C@@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1 69816656 MOTJIPJCLLQFMF-MRXNPFEDSA-N 318.465 3.081 0 40 DGAB CSc1ccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)cc1 69589800 HXVXCKAGSOVNDI-JKSUJKDBSA-N 314.410 3.188 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@H](n4ccnc4C)C3)[nH]c2c1 69922630 VXOQKDFYZLYJLJ-INIZCTEOSA-N 322.412 3.459 0 40 DGAB CCCC[C@H](CC)CNC[C@H](O)COCc1ccc(OC)cc1 6939325 ALVXVTRQYGBRMM-WMZOPIPTSA-N 323.477 3.379 0 40 DGAB COc1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1OC 5959031 RDWPEWUBRZBYQD-UHFFFAOYSA-N 324.380 3.044 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccc(C)o2)cc1 15296525 JDEMCHUEPZTHGE-OAHLLOKOSA-N 314.429 3.460 0 40 DGAB Cc1ccc(-c2nnc(S[C@H]3CCCCC3=O)n2C)cc1 8707016 CYXZYQPOEHMXIH-AWEZNQCLSA-N 301.415 3.394 0 40 DGAB Cc1noc(C)c1CNC(=O)Cn1ccc2ccc(Cl)cc21 67762813 WNXKPEOHCBLCCP-UHFFFAOYSA-N 317.776 3.216 0 40 DGAB C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@H](c2ccccc2)O1 71828243 RAPCEJVPXHHRLU-UKRRQHHQSA-N 315.417 3.329 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N2CCC(CO)CC2)cc1 71803470 QYSDHJMGZYXFCE-ZDUSSCGKSA-N 322.474 3.274 0 40 DGAB CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@@H](C)c1ccccn1 71904757 GMUXCGUQLIDVPV-JKSUJKDBSA-N 318.465 3.049 0 40 DGAB CS[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 71915333 QZBUGIORULXYAW-UXLLHSPISA-N 320.502 3.249 0 40 DGAB Cc1ccc(-c2nnc(CN(C)C(=O)c3cccs3)o2)cc1 408714645 UBBVKEQLVAXYEV-UHFFFAOYSA-N 313.382 3.379 0 40 DGAB CC[C@H]1C[C@@H](C(=O)Nc2ccnn2Cc2ccsc2)CCO1 97053273 XYTPOAKOMKLVGL-KBPBESRZSA-N 319.430 3.137 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccnn2C(C)(C)C)cc1 97164896 ZAIPIZORFUXBDC-UHFFFAOYSA-N 307.419 3.001 0 40 DGAB CC(=O)c1ccc(N(C)C)cc1OCc1nnc(C(C)C)o1 97114906 QNWFZHPJXSUKHR-UHFFFAOYSA-N 303.362 3.041 0 40 DGAB CCOc1cc(CNC(=O)c2cccc(F)c2)ccc1OC 72331476 JDZGJVPICGRFDQ-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB Cc1ccccc1-c1noc(CN2CCC(c3cn[nH]c3)CC2)n1 97202653 IGAANDGSZRZZFY-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB NC(=O)CC[C@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 84459292 CNNCEGAFIJTOMQ-GFCCVEGCSA-N 317.820 3.370 0 40 DGAB Cc1n[nH]c(C(C)C)c1C(=O)N[C@H](C)COc1ccc(F)cc1 95978363 NXMUFPLYWMHQQN-LLVKDONJSA-N 319.380 3.178 0 40 DGAB CCO[C@@H](C)c1nccn1CC(=O)Nc1ccc(Cl)cc1 89521861 XHGQJHQBSCNILC-NSHDSACASA-N 307.781 3.273 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)cnc1Cl 75110158 RVMIAFOTBWUCHS-VIFPVBQESA-N 322.796 3.401 0 40 DGAB Cc1cc(NC(=O)CN2c3ccccc3CC[C@@H]2C(C)C)on1 89608775 KXVXXRYJWNETPI-OAHLLOKOSA-N 313.401 3.399 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)O)cc1 30851239 GKINIXCNQHHTHA-MRXNPFEDSA-N 313.353 3.489 0 40 DGAB NNc1nc2cc(NC(=O)c3cccc(Cl)c3)ccc2s1 72229796 YXXYVHJAHUTUAD-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB O=C(NC[C@H](c1ccsc1)c1ccco1)C1CCOCC1 675007922 DGCIVUYZSUXTLN-CQSZACIVSA-N 305.399 3.016 0 40 DGAB Cn1cc(CN2CC[C@H](Cc3cccc4cccnc34)C2)cn1 72368004 YUIUWTITHFEOKP-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB Cc1cccc(NC(=O)COc2ccccc2-c2nc(C)no2)c1 46012374 RWFGRBWGCRVFMO-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB COc1ccc([C@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 223352656 MVUBWHNZILYMQM-AWEZNQCLSA-N 313.397 3.432 0 40 DGAB CC[C@H](C)Oc1ccc(NC(=O)C(F)(F)F)cc1C(=O)OC 225782115 ZLJJGVGNZNFRAD-QMMMGPOBSA-N 319.279 3.151 0 40 DGAB COc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1F 224050568 OFYKDKXKZLOQSX-UHFFFAOYSA-N 317.360 3.260 0 40 DGAB Cc1ncc(CN[C@H](CCO)c2ccccc2)n1-c1ccccc1 84046776 DOECFUNGRITEQM-HXUWFJFHSA-N 321.424 3.394 0 40 DGAB CC(C)N(CCc1nccs1)c1ccc(C(F)(F)F)nn1 193376264 MURUJYJXUQCFFC-UHFFFAOYSA-N 316.352 3.409 0 40 DGAB O=S(=O)(Cc1cccc(C(F)(F)F)c1)Nc1ccccn1 96416292 FHDOOEJOWFSBEQ-UHFFFAOYSA-N 316.304 3.042 0 40 DGAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1cc(-c2ccccc2)on1 530179001 KKOZSTZXDKGWRB-AGGWBTHJSA-N 314.385 3.415 0 40 DGAB Cc1cnn(CCC(=O)N2CC[C@@H](C)C[C@H]2c2ccc(C)o2)c1 96433160 URUMDCGACJNZQV-CJNGLKHVSA-N 315.417 3.483 0 40 DGAB Cc1ccc2cccc(C(=O)NC[C@H]3CCN(C(C)C)C3)c2n1 96420711 AJMNELWDCVNSFE-OAHLLOKOSA-N 311.429 3.003 0 40 DGAB CCn1cc(CNc2ccc(N=S3(=O)CCCC3)cc2)cn1 585118459 PRSYTVDCRQMWCR-UHFFFAOYSA-N 318.446 3.408 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2n[nH]c3cc(Cl)ccc23)cc1 255189077 NNTICFMQFANFDO-UHFFFAOYSA-N 321.789 3.326 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 257333629 YCJCYDPOVQVMMV-SHTZXODSSA-N 314.433 3.228 0 40 DGAB C[C@@H](Cc1ccoc1)NS(=O)(=O)c1cccc2ccccc12 84953096 SBXSJOCHPAOMTO-ZDUSSCGKSA-N 315.394 3.342 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CNC1CCN(C2CC2)CC1 55043120 QJLAJKCSDVIBGZ-UHFFFAOYSA-N 324.472 3.206 0 40 DGAB COc1ccc([C@@H]2C[C@@H]2C(=O)N(C)c2cc(C(C)C)[nH]n2)cc1 75146312 JQWRQSNQFTVLSW-GJZGRUSLSA-N 313.401 3.308 0 40 DGAB Cc1ocnc1CNC(=O)N1CCC[C@@H]1CCc1ccccc1 92520704 UWWWUHQLVPXLOG-MRXNPFEDSA-N 313.401 3.290 0 40 DGAB Cc1cccc([C@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C2)c1 1579756893 NLUNYPMVWUNNBA-OALUTQOASA-N 308.425 3.053 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@H](C)O1 11560671 OMGSMHBQTAZILW-STQMWFEESA-N 321.376 3.147 0 40 DGAB O[C@H](COc1cc(Cl)ccc1Cl)CN1CCCCC1 6790649 VVSOPLKCVXOPGR-LBPRGKRZSA-N 304.217 3.219 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1ccc(C(=O)O)cc1 13166580 FOUMPEUQHFWAQF-SNVBAGLBSA-N 319.744 3.444 0 40 DGAB CC(C)CCNS(=O)(=O)Cc1c(Cl)cccc1Cl 13678310 WCFNOTHJFPACOK-UHFFFAOYSA-N 310.246 3.459 0 40 DGAB Cc1cc(Nc2ccc(C(=O)O)cc2)nc(N2CCCCC2)n1 19798014 PQWNLFBFOXECHT-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB CC(C)Nc1cccc(CNC(=O)c2ccc(O)cc2F)c1 164715876 JZJSLJFYBINCIS-UHFFFAOYSA-N 302.349 3.282 0 40 DGAB Cc1c(C(=O)NCCN2CCCCCC2)oc2c(F)cccc12 71884620 OJVREXLAXKBZIN-UHFFFAOYSA-N 318.392 3.486 0 40 DGAB CCN(CC)C[C@H](O)CNc1ccnc2cc(Cl)ccc12 1700323 ZVFMMJFXUUKKFN-CYBMUJFWSA-N 307.825 3.003 0 40 DGAB Cc1ocnc1CN1CCC(COc2ccncc2Cl)CC1 1889090940 PHBAZVYEGYGUHW-UHFFFAOYSA-N 321.808 3.322 0 40 DGAB CC1(C(=O)NC2CC3(CCN(Cc4ccccc4)CC3)C2)CC1 2056225751 ARRKMKXHJZBRRV-UHFFFAOYSA-N 312.457 3.348 0 40 DGAB COc1ccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)cc1 4276071 BTTIWTIBWOPJMI-KPKJPENVSA-N 321.336 3.397 0 40 DGAB COc1ccc([C@@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc1O 7616091 OGQRMMXFVUCJRL-KRWDZBQOSA-N 324.380 3.407 0 40 DGAB c1coc(C(CNc2ncnc3ncccc23)c2ccco2)c1 1775971172 HXPPBMFRCXXMEA-UHFFFAOYSA-N 306.325 3.455 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 108643056 ULEYDNXFHXQZMC-CYBMUJFWSA-N 320.437 3.119 0 40 DGAB O=C(NC[C@@H](O)c1csc2ccccc12)NC1CCCC1 585372606 TWTPXAHNICVJTA-CQSZACIVSA-N 304.415 3.177 0 40 DGAB NC(=O)[C@@H](Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 30495484 SACRLDSXOUIBHF-AWEZNQCLSA-N 324.302 3.266 0 40 DGAB O=C1OC(c2ccc(Br)o2)=N/C1=C\c1ccccc1 198050 FYZNMOONFMBEQN-NTMALXAHSA-N 318.126 3.387 0 40 DGAB CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O 49472 LKGKYSMQYXQABD-IAGOWNOFSA-N 304.390 3.247 0 40 DGAB COc1ccc2[nH]c(C)c3c2c1[C@@]1(C)N(CC3)C(=O)OC1(C)C 99702 QIRMVQCDKUIWPS-GOSISDBHSA-N 314.385 3.487 0 40 DGAB CCC1=NN(C(=O)c2cccc(OC)c2)[C@@](O)(c2ccccc2)C1 342790 TXAZRSCBIKBODV-IBGZPJMESA-N 324.380 3.152 0 40 DGAB Cn1c(-c2cccc([N+](=O)[O-])c2)cnc1NCc1cccc(O)c1 819090 VDLHQAOSEMVLHL-UHFFFAOYSA-N 324.340 3.313 0 40 DGAB CCN(CC)[C@H](C)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 46266369 RWOZIPJBJYGKHH-RHSMWYFYSA-N 321.440 3.403 0 40 DGAB O=C(CSCc1ccc(Cl)cc1)NCc1ccccn1 308583 LFLOIJZOCLJOSS-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3cccs3)o2)C1 4186151 GVVWPBIKNZGIPY-JTQLQIEISA-N 323.443 3.149 0 40 DGAB CN(Cc1ccc(Cl)nc1)C(=S)NCc1ccccc1 6638138 IUBXGLKEJZCKNZ-UHFFFAOYSA-N 305.834 3.242 0 40 DGAB COc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 32911525 JQECWGINXMGUTC-GOSISDBHSA-N 324.424 3.090 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(C(=O)C3[C@H]4CCC[C@H]34)C2)c1 102688054 IGMRORMRYMIFTP-DQYPLSBCSA-N 315.413 3.066 0 40 DGAB Cc1cc(C)nc(SCc2ccccc2C(=O)NC2CC2)n1 33002055 NVILINANEWAPKU-UHFFFAOYSA-N 313.426 3.278 0 40 DGAB CCC(CC)NC(=O)COc1ccc(Br)cc1 2765267 CHPFPBMSRGNFLP-UHFFFAOYSA-N 300.196 3.133 0 40 DGAB O=C(Nc1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 41172224 AAJDRFVCBCLUGH-MRXNPFEDSA-N 300.333 3.431 0 40 DGAB O=C(COC(=O)c1ccccn1)Nc1ccc2ccccc2c1 807497 CJZQLVHDJNHQFD-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@H]1C1CCCC1 54138847 OVDXROFSEJTSRT-KRWDZBQOSA-N 310.397 3.323 0 40 DGAB COc1ccc(C(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12435600 SXVDZANKQZHURQ-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB CC(=O)Nc1cccc(NC(=O)Cc2ccc3c(c2)CCC3)c1 23120510 QQGJCMKHOVRZMF-UHFFFAOYSA-N 308.381 3.315 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2Br)cc1N 22173030 DLIGHWGNVQLQLD-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(-c2nc3cnccn3c2NC[C@@H]2CCCO2)s1 57721457 GPKRMXTWSDGQTA-LBPRGKRZSA-N 314.414 3.357 0 40 DGAB Cc1[nH]c2c(C(=O)Nc3ccc(CC(N)=O)cc3)cccc2c1C 24492672 URRRTVGIZOGWES-UHFFFAOYSA-N 321.380 3.065 0 40 DGAB CC(C)c1ccc(CNS(=O)(=O)Cc2ccccc2)cc1 1446464 MLKUOFBNXABXIL-UHFFFAOYSA-N 303.427 3.430 0 40 DGAB CCC(CC)NC(=O)CNc1cc(NC(=O)C2CC2)ccc1C 55849296 BRBJAWNDAVZZMF-UHFFFAOYSA-N 317.433 3.060 0 40 DGAB CCC[C@H](C(=O)NCCNC(=O)c1ccccc1)c1ccccc1 25573676 NCNXJUHGXVPDQM-SFHVURJKSA-N 324.424 3.117 0 40 DGAB O=C(c1noc2c1CCCC2)N1CCC[C@H]1Cc1ccccc1 56328264 HSORSBATQYFZPV-HNNXBMFYSA-N 310.397 3.401 0 40 DGAB S=C(NCCSCc1ccco1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 103185129 YFTLTNFONGJKFN-YRGRVCCFSA-N 310.488 3.166 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccccc1Cl 3257738 KVXSRNJCABQXLU-UHFFFAOYSA-N 306.793 3.485 0 40 DGAB Cc1ccc(CC(=O)NC[C@H]2COc3ccccc3C2)cc1C 8328706 FVMLCSMMXRVVAS-KRWDZBQOSA-N 309.409 3.213 0 40 DGAB CCOC(=O)c1ccoc1COC(=O)c1ccc(Cl)c(N)c1 10875104 NDQRTLPZUOGHOP-UHFFFAOYSA-N 323.732 3.049 0 40 DGAB COc1ccc([C@H](NC(=O)Nc2cc(C)on2)C2CC2)cc1 48250369 XFWMSOVVIVDOIT-OAHLLOKOSA-N 301.346 3.264 0 40 DGAB Cc1cc([C@H]2CCCN2Cc2nc(-c3ccsc3)no2)on1 48275614 JJWLCKJPGVTIBI-GFCCVEGCSA-N 316.386 3.432 0 40 DGAB CCSc1nnc2n(-c3ccccc3)c(=O)c3ccccc3n12 3537209 YGGPAGZTAXABTK-UHFFFAOYSA-N 322.393 3.145 0 40 DGAB C=C1c2ccccc2C(=O)N1CCC(=O)N[C@H](C)c1ccccc1 12982175 NPHTVTJKPQJQLA-CQSZACIVSA-N 320.392 3.381 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3620458 ONVIOASDTABOHB-UHFFFAOYSA-N 309.365 3.131 0 40 DGAB CS[C@@H](C)C(=O)Nc1cccc(Cn2nc(C)cc2C)c1 69739423 JMJOEARCINRBCE-ZDUSSCGKSA-N 303.431 3.238 0 40 DGAB Cc1ccccc1CCNCc1cc2cccc(C)c2[nH]c1=O 4160532 CFVCBACLDWMPBK-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB CSc1cccc(NC(=O)COc2ccc3c(c2)OCO3)c1 6128821 GRXRJKUXAWDZIQ-UHFFFAOYSA-N 317.366 3.155 0 40 DGAB Cc1cccc(Cc2cnc(N3C(=N)S[C@H](C)C3=O)s2)c1 4384919 MHFJPGDMYSQGCH-SNVBAGLBSA-N 317.439 3.445 0 40 DGAB COC(=O)c1cc(-c2cc(F)ccc2F)nc2onc(C)c12 39983757 SRFDPIUFBOWQPB-UHFFFAOYSA-N 304.252 3.263 0 40 DGAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)[C@H]1CCOC1 65475539 YQDIKLXTBOKYBN-HNNXBMFYSA-N 308.381 3.356 0 40 DGAB CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NC1CCOCC1 69842847 YKYHRNJSBKJLAS-MYSGNRETSA-N 303.402 3.172 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc3c(c2)nc(C)n3C)no1 65505169 CCODDDDNSBOZTI-KRWDZBQOSA-N 324.384 3.155 0 40 DGAB CCc1ccccc1NC(=O)c1ccccc1SCC(N)=O 14158508 NWQMLMSCQLCATA-UHFFFAOYSA-N 314.410 3.079 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccc(F)c1 5478204 XZRPZNNYZCGGON-CTDFXDFQSA-N 322.383 3.463 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(O)cc2)N(C)C3=O)cc1 21523432 DTSWLLWNGWMPED-SFHVURJKSA-N 319.364 3.266 0 40 DGAB COc1cc(OC)cc(C2=NC3(CCCCC3)NC2=S)c1 4891170 QSBPPNUSXPXZMJ-UHFFFAOYSA-N 304.415 3.084 0 40 DGAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1cccnc1 27921809 WNCNBAVOARTSBY-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB C[C@H]1OCC[C@@H]1C(=O)OCc1cnc(-c2ccccc2)s1 92372065 MKBSCWRRWGLAHU-RISCZKNCSA-N 303.383 3.278 0 40 DGAB COc1ccc(CNC2=NN=C(c3ccccc3)CS2)cc1 5884058 VDZNVYMUHYFTJS-UHFFFAOYSA-N 311.410 3.292 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2cccc(C)c2)NC(=O)N1 5866975 FPSNZFAZCPNIDT-QGZVFWFLSA-N 321.380 3.262 0 40 DGAB CCC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4998724 QLDJBDMRBDREAL-STQMWFEESA-N 322.836 3.306 0 40 DGAB COCc1ccccc1C(=O)NCCN1c2ccccc2C[C@H]1C 68293531 BLTLHHZXFHLVKV-OAHLLOKOSA-N 324.424 3.014 0 40 DGAB O=S(=O)(c1ccccc1)c1nc2ccccc2nc1Cl 9142747 ZBDWWRZJWLUXAY-UHFFFAOYSA-N 304.758 3.116 0 40 DGAB CC[C@@H](C)c1ccc(C2=CSC3=NS(=O)(=O)CCN23)cc1 7736500 BGFNWMBMAJBPIX-LLVKDONJSA-N 322.455 3.247 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 69172256 YCGXLRGDQOKFPF-CHWSQXEVSA-N 310.388 3.344 0 40 DGAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@H]3CCCC[C@@H]32)n1 71839159 MQXQZJAFXLZFRP-STQMWFEESA-N 323.824 3.037 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1 71886258 LVMXGQJBVAWRKV-GFCCVEGCSA-N 320.414 3.434 0 40 DGAB CSc1ccc(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)o1 72281063 RNVJYBMDLJUAMP-UHFFFAOYSA-N 314.370 3.347 0 40 DGAB CCc1cc(C(=O)OCc2cc(C)nc3ccccc23)cc(=O)[nH]1 97047110 AEJKGAMVSURFQM-UHFFFAOYSA-N 322.364 3.151 0 40 DGAB COc1ccc(C[S@](=O)Cc2nc(C)c(C)o2)c(Cl)c1 97083646 KCFDESGEWTYKQO-HXUWFJFHSA-N 313.806 3.402 0 40 DGAB C[C@H](O)C[C@H]1CCCN1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 97136468 DAKCTRQDDYAIRC-TUAOUCFPSA-N 324.387 3.298 0 40 DGAB O=C(Nc1ccccc1-n1cncn1)c1ccnc2ccccc12 95349384 ZEXLNKGMXQMUAU-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@H](CCc1ccc(F)cc1)NCc1cccc(C(N)=O)c1 95419658 CFCXJTOLJADYPI-CYBMUJFWSA-N 300.377 3.036 0 40 DGAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1n[nH]c2ccccc12 95450639 CRBDZHRXBIDREC-JTQLQIEISA-N 313.382 3.016 0 40 DGAB CCS[C@@H]1CC[C@@]1(O)CNCc1cc(F)cc2cccnc12 95415533 MURDABJJTHXTMO-NVXWUHKLSA-N 320.433 3.110 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N2CCC3(CCOCC3)C2)c1 98014553 OESQTGGHPWZBLS-MRXNPFEDSA-N 316.445 3.311 0 40 DGAB Cc1ccc(-n2nc(C)cc2NC(=O)CC2=CCCCC2)nn1 79064871 PGBKSUAZEXTYFG-UHFFFAOYSA-N 311.389 3.108 0 40 DGAB Cc1cnccc1NC(=O)Nc1cnn(Cc2ccccc2)c1 95981982 KVLUAWPRZWIAFA-UHFFFAOYSA-N 307.357 3.279 0 40 DGAB CCc1sc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)cc1C 89280287 APVVECLPFFFADJ-GFCCVEGCSA-N 303.431 3.362 0 40 DGAB C[C@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)c1cccs1 75092980 MZUWTBOJHDWPHT-NSHDSACASA-N 312.394 3.010 0 40 DGAB C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccccc1F 75126066 LSNMHPNQFZROBW-ZDUSSCGKSA-N 302.349 3.241 0 40 DGAB CN(C(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CCC1 75147805 CPVAGWIYILABSJ-UHFFFAOYSA-N 318.417 3.336 0 40 DGAB COCc1c(C(=O)OCc2cc(C)no2)oc2ccccc12 26468675 QDWWNXZPBQVRPT-UHFFFAOYSA-N 301.298 3.233 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)Cc1ccccc1F 65740172 ZLHNPJXNNCZOPP-UHFFFAOYSA-N 323.371 3.179 0 40 DGAB CC(C)C(NC(=O)c1ccc(CN2CCCC2=O)cc1)C(C)C 22535171 HCULSEKXEUDYDL-UHFFFAOYSA-N 316.445 3.219 0 40 DGAB CCCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 408549408 SHLLAAHQMYPZON-ZROIWOOFSA-N 321.398 3.459 0 40 DGAB CC[C@@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 71902534 VKLLJXYBEDFSJL-GOSISDBHSA-N 317.454 3.472 0 40 DGAB O=C(NCC1CC=CC1)c1cncc(-c2ccc3c(c2)CCO3)c1 529711026 OXRSWCWOUNJMAD-UHFFFAOYSA-N 320.392 3.380 0 40 DGAB OCCNc1nc(Nc2cccc(Cl)c2)nc2ccccc12 32617683 SWJWRLQIHTYZMK-UHFFFAOYSA-N 314.776 3.431 0 40 DGAB COc1ccc(-c2nc(Cn3cnc4ccccc43)no2)cc1 76555341 YLZWGLVYLNXKLZ-UHFFFAOYSA-N 306.325 3.143 0 40 DGAB CC(C)n1cc(C(=O)Nc2cccnc2)c2ccccc2c1=O 72401093 UJANTBCVAJPHML-UHFFFAOYSA-N 307.353 3.230 0 40 DGAB Fc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)c1 72322092 GKLHGLNVUYUHHH-INIZCTEOSA-N 301.365 3.142 0 40 DGAB biogenic,in-vitro CCc1nnc2sc(Cc3ccc(Br)cc3)nn12 73638810 ZGBWBTLCLWQDOH-UHFFFAOYSA-N 323.219 3.102 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)cn1 72330220 RKYJZQLPBARLIE-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2F)C1 48267582 FULSEZSWWCAXLE-HZPDHXFCSA-N 320.452 3.243 0 40 DGAB COCCn1nc(C)c(Nc2ccc(C(F)(F)F)cn2)c1C 225590360 VIIUZYFOLOKPFT-UHFFFAOYSA-N 314.311 3.304 0 40 DGAB CCc1cccc2c(/C=C3/C(=O)N(CC)C(=S)N3C)c[nH]c12 44598994 KVXRVEPGHCAGIG-ZROIWOOFSA-N 313.426 3.150 0 40 DGAB COc1ccc(S(=O)(=O)NCC2CCCCC2)c(C)c1C 225205310 ZROSLWIASGJXPS-UHFFFAOYSA-N 311.447 3.171 0 40 DGAB CCOC(=O)c1cc(NC(=O)C(F)(F)F)ccc1OC(C)C 225782309 FSOINHWBPIMXQZ-UHFFFAOYSA-N 319.279 3.151 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2ccc(F)cc2)cc1OC 49930967 VZJBOINBCRADPX-UHFFFAOYSA-N 317.360 3.044 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC(C)(C)C 223268007 KGYWCCURNTYANR-MRXNPFEDSA-N 318.461 3.427 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(C(=O)[C@@H]3CC=CCC3)C2)c1 81639335 MGYPUTYOFXCNOM-HUUCEWRRSA-N 315.413 3.376 0 40 DGAB O=C(CSCc1ccccc1)NCCOCc1ccccc1 223396502 NMUIBMIMSNXDHL-UHFFFAOYSA-N 315.438 3.253 0 40 DGAB Cc1ccc2oc(=O)c(C(=O)N3CCc4ccccc4C3)cc2c1 226037452 ZNPJDGTWTIZVMH-UHFFFAOYSA-N 319.360 3.300 0 40 DGAB COc1ccc(-c2nc(-c3ccc(C)c(N)c3)no2)cc1OC 225174760 VECBIEYMSGULEW-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(C)c1 223854887 SVDBCOWLHHFUHG-AWEZNQCLSA-N 313.463 3.498 0 40 DGAB CCCCCNS(=O)(=O)c1cc2c(cc1OC)CCCC2 223088252 OEFXKOVNIPFSQA-UHFFFAOYSA-N 311.447 3.043 0 40 DGAB O=C(Nc1ccsc1Cl)N1CCC[C@@H](CCO)CC1 331427714 IQCMUEUCEAYEAD-SNVBAGLBSA-N 302.827 3.418 0 40 DGAB Cn1ccc2ccc(C(=O)NCCc3nc4ccccc4[nH]3)cc21 96116931 MQRDXQGGSVTDDX-UHFFFAOYSA-N 318.380 3.027 0 40 DGAB CCn1c(S[C@H]2CCC[C@@H](OC)C2)nnc1-c1cccnc1 585119124 SGCKGIOOLUZECN-KGLIPLIRSA-N 318.446 3.410 0 40 DGAB O=C(Cc1cccs1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 252572046 YVYDGVVHSHTCJX-HDJSIYSDSA-N 316.426 3.192 0 40 DGAB O=C(/C=C/c1cccs1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828537 RTFGMRDWWPXOTN-UZYOAWRESA-N 317.414 3.166 0 40 DGAB CCOC(=O)c1cc(-c2ccc(Br)s2)[nH]n1 1525635378 NPOMLOPZUYNICW-UHFFFAOYSA-N 301.165 3.077 0 40 DGAB Cc1ccc(-c2cccc(C[C@@]3(C(=O)N(C)C)CCNC3)c2)cc1 72391915 GXTOPPWIKKEQSO-NRFANRHFSA-N 322.452 3.272 0 40 DGAB CO[C@@H](CNC(=O)CC[C@H]1CCCO1)c1cccc(Cl)c1 76067411 AFZRPVGBDZJRNH-CABCVRRESA-N 311.809 3.103 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCOC[C@H]2CC(C)C)c1 78706694 NNIALMWISBAXFR-MRXNPFEDSA-N 304.390 3.168 0 40 DGAB O=C(NCCCc1nccs1)[C@@H]1SCCc2sccc21 79947577 UOYOXOVLEOGCNA-CYBMUJFWSA-N 324.496 3.284 0 40 DGAB CCSc1nsc(NC(=O)Nc2cccc(C(C)=O)c2)n1 13108136 SVHVIRBGQRDCIB-UHFFFAOYSA-N 322.415 3.497 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)cc1 14153092 LCDXONIVGTWIFL-UHFFFAOYSA-N 316.788 3.325 0 40 DGAB COc1ccc(CC(=O)NCCSc2ccccc2)cc1 14184414 YMZVNNYAHZBLIK-UHFFFAOYSA-N 301.411 3.146 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccc(C)cc3)sc2C1 15880155 PLIZTEKQWWWHEH-UHFFFAOYSA-N 301.415 3.082 0 40 DGAB Cc1cccc(OC[C@H](O)Cn2ccnc2-c2ccccc2)c1 17135483 CCEFOULEWDQVMK-QGZVFWFLSA-N 308.381 3.298 0 40 DGAB COc1ccc2c(c1)C[C@@H](c1cccnc1)N[C@H]2c1cccnc1 19562628 KAJZTDCWTIYVLU-PMACEKPBSA-N 317.392 3.462 0 40 DGAB COc1ccccc1/C=C/CN1CC[C@@H]2NCCCCC[C@H]21 19712500 AGNBNOONGAZQFU-XJMNNFRSSA-N 300.446 3.315 0 40 DGAB CCOC(=O)Cc1nc(Cl)c2c3c(sc2n1)CCCC3 5459031 GTFMYWFQVHIDLV-UHFFFAOYSA-N 310.806 3.329 0 40 DGAB O=C1/C(=C/c2ccccc2O)C(=S)SN1Cc1ccco1 1563174 YOIHDVOJULTDJB-WQLSENKSSA-N 317.391 3.387 0 40 DGAB COc1ccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)cc1 7830912 VDPUWKLXAUCWJO-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB CC(C)(C)c1cn2nc(C(=O)N3Cc4ccccc4C3)ccc2n1 1888909507 KQCAVVCOYNQUMN-UHFFFAOYSA-N 320.396 3.183 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cnn1C 36763504 QIXJYFAZUGVCIC-GHMZBOCLSA-N 317.458 3.406 0 40 DGAB O=C(/C=C/c1ccoc1)NC[C@@H](O)c1cccc2ccccc12 206701964 HZBRTVJAQFIEAS-GFOMBABLSA-N 307.349 3.296 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc3ccsc23)C1 2298187923 IORYHPOEABDCNF-GFCCVEGCSA-N 317.458 3.427 0 40 DGAB O=C(Cc1ccccc1Cl)NCC[C@H](O)c1cccs1 77113655 WRJYZIWGYGTTNJ-ZDUSSCGKSA-N 309.818 3.184 0 40 DGAB CC(C)N(C)S(=O)(=O)NCC1(c2ccccc2)CCCCC1 40105635 GAAHAWLYTPDRTR-UHFFFAOYSA-N 324.490 3.063 0 40 DGAB COC(=O)Nc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1 30692177 QCNGTLQHDDABEG-UHFFFAOYSA-N 317.370 3.062 0 40 DGAB C[C@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1cccs1 40480123 FPRBDCOATDSZOJ-ZETCQYMHSA-N 313.308 3.378 0 40 DGAB O=C(c1c(F)cccc1F)N1CCO[C@H](c2ccc(F)cc2)C1 29117713 GEBRYOGKSWFHEV-HNNXBMFYSA-N 321.298 3.318 0 40 DGAB Cc1cc(C)cc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 544117 QDDMBOQSZUMCDF-UHFFFAOYSA-N 321.380 3.425 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@H]1c1ccsc1 45966013 OFQCOOACFVGJRL-AWEZNQCLSA-N 317.414 3.198 0 40 DGAB Cc1cccn2c(=O)cc(CN(C)[C@H]3CCc4ccccc43)nc12 29486260 PGNIVVMAVQDXIN-SFHVURJKSA-N 319.408 3.122 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(Cl)cn2)c(C)c1 303921 XZUJJEKUEVIAIW-UHFFFAOYSA-N 310.806 3.461 0 40 DGAB O=C(NC1CC1)C(=O)c1c(-c2ccccc2)cc2ccccn12 7604311 QGLNSUXLZUNJRG-UHFFFAOYSA-N 304.349 3.068 0 40 DGAB C[C@H](C(=O)NC1CCCC1)N(C)CCOc1cccc(Cl)c1 32805941 MVKKCFFTRGFRQP-CYBMUJFWSA-N 324.852 3.098 0 40 DGAB C[C@@H](NC(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1 495331 QLNHUSWQXWMCEH-GFCCVEGCSA-N 324.409 3.421 0 40 DGAB Cc1cnn(CCNCc2ccccc2Oc2cccnc2)c1 71872140 VIAHNGANNWUTEJ-UHFFFAOYSA-N 308.385 3.169 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 12352018 GRAOSOWNPLKREM-ZDUSSCGKSA-N 324.380 3.286 0 40 DGAB C[C@@H]1CC(=O)c2sc(NC(=O)c3cccnc3Cl)nc2C1 3101992 IZMQKUNTSIIJOZ-ZETCQYMHSA-N 321.789 3.209 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccs1 43419182 LFDCDAXLCZWNIE-SNVBAGLBSA-N 324.427 3.034 0 40 DGAB C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCCCC1 25408004 CLFSAWKKFFBMKJ-HNNXBMFYSA-N 313.445 3.091 0 40 DGAB NC(=O)c1ccccc1OCc1coc(-c2cccc(F)c2)n1 26007638 DSJBADKHDQZGCE-UHFFFAOYSA-N 312.300 3.159 0 40 DGAB CNC(=O)c1ccc(/C=C/C(=O)OCC2CCCCC2)cc1 83882274 XSQJFJGKUUURKC-FMIVXFBMSA-N 301.386 3.183 0 40 DGAB Cc1ccc(NC(=O)c2ccc([S@](=O)C(C)C)cc2)nc1 71921240 VMMRGMALHHSVNW-NRFANRHFSA-N 302.399 3.158 0 40 DGAB COc1cccc(CNc2nccc(C(F)(F)F)n2)c1OC 71968750 IAKCPCGHJGEKIO-UHFFFAOYSA-N 313.279 3.125 0 40 DGAB CCCCCC[C@@H]1C[C@](C)(C(=O)CNc2ccccn2)OC1=O 1901954 PDPLZGMSPMHKOY-RDTXWAMCSA-N 318.417 3.355 0 40 DGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NCc1ccccc1 12617727 VPULPPHVAIBDET-JLHYYAGUSA-N 320.392 3.143 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1cccc(Br)c1 27927182 ZYXBLAVUJHOGPQ-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB CCCOc1c(Br)cc(C(=O)O)cc1OCC 2140787 KRDVGXLPEZGQSG-UHFFFAOYSA-N 303.152 3.335 0 40 DGAB COC(=O)c1ccc(COc2c(F)c(F)c(F)c(F)c2F)o1 2219553 KZHPRBPFBJLCBY-UHFFFAOYSA-N 322.185 3.341 0 40 DGAB CN(C)C(=O)[C@H]1CCCN1Cc1ccc(Cl)cc1Cl 58452492 DTEIUDIDNMBKAD-CYBMUJFWSA-N 301.217 3.046 0 40 DGAB O=C1C[C@H](c2ccco2)Cc2nc3nc4ccccc4n3cc21 2349695 CBUDGVQIAAJEEX-LLVKDONJSA-N 303.321 3.388 0 40 DGAB Fc1ccc(-c2n[nH]cc2CNCCCOCC2CC2)cc1 48301131 MFPDXURWXTZKOC-UHFFFAOYSA-N 303.381 3.122 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)Nc1cccc(F)c1 3465756 AKTVHRYHEIGOLL-UHFFFAOYSA-N 301.346 3.433 0 40 DGAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCCN2C)cc1 69975751 VGIJRDYFTPXBRJ-INIZCTEOSA-N 317.433 3.094 0 40 DGAB Cc1cccc(C2(C(=O)N3CCC[C@H](n4ccnc4)C3)CCC2)c1 69900981 QJAGCJSVYGMOOB-SFHVURJKSA-N 323.440 3.477 0 40 DGAB Cc1ccccc1CNC(=O)c1cnc2c(cnn2C(C)C)c1 12912431 UUQIZHMTJDUCEG-UHFFFAOYSA-N 308.385 3.251 0 40 DGAB Cc1ccc(-c2noc(COC(=O)c3cccs3)n2)cc1 12926447 BVXGDTKTUGSWFN-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c(C)c1 12988915 ZJXJYDCIJOIJBH-GUYCJALGSA-N 318.442 3.004 0 40 DGAB O=C(NCCCn1ccc2ccccc21)c1n[nH]c2ccccc12 8745866 WVIDREQRCRNRDI-UHFFFAOYSA-N 318.380 3.338 0 40 DGAB CCN1C(=O)c2cccc3c(N4CCCCC4)ccc(c23)C1=O 4172204 UQUHZKNKGQNRPW-UHFFFAOYSA-N 308.381 3.446 0 40 DGAB Cc1nn(Cc2ccc(F)cc2)c(Cl)c1C(=O)N1CCCC1 14051372 LAXNEUHJLCHKJP-UHFFFAOYSA-N 321.783 3.268 0 40 DGAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1 6422018 OGAMVTLPKJHBGJ-JTQLQIEISA-N 318.760 3.106 0 40 DGAB C[C@@H](OC(=O)c1cc(Br)c[nH]1)C(=O)c1ccccc1 14197271 WWWPSCIXXQIRQY-SECBINFHSA-N 322.158 3.205 0 40 DGAB O=c1c(Cl)c(N2CCCCC2)cnn1Cc1ccc(F)cc1 6758769 GLAVARREIYXQOI-UHFFFAOYSA-N 321.783 3.074 0 40 DGAB CCc1cccc2c(C(=O)CSc3cccc[n+]3[O-])c[nH]c12 5780053 JSUQRTFKLJKWFT-UHFFFAOYSA-N 312.394 3.339 0 40 DGAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccncc1 6890766 AQOFRIUXJSLHSH-UHFFFAOYSA-N 321.332 3.034 0 40 DGAB Cc1ccc(F)cc1NCc1cc(=O)n2c(C)csc2n1 15292307 NSUXZCDQOMZWHV-UHFFFAOYSA-N 303.362 3.124 0 40 DGAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003131 GRWVMLKQDRNTFO-JGVFFNPUSA-N 322.739 3.080 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1Cl)c1cccc(F)c1 7405288 VGYUNRNNOBERLG-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Nc1nc(-c2ccccc2)cn1NC(=O)Nc1ccccc1F 9338279 FMZIYXRGFBYERG-UHFFFAOYSA-N 311.320 3.047 0 40 DGAB in-vitro C[C@@H](CCc1ccccc1)NCCNC(=O)c1ccccc1F 8221154 CMODYBJXPBLBCI-HNNXBMFYSA-N 314.404 3.166 0 40 DGAB Cn1ccc(NS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 16978441 OOFAINNKQZBYFN-UHFFFAOYSA-N 319.430 3.269 0 40 DGAB COc1ccccc1NC(=O)c1cc2c(c(OC)c1)O[C@H](C)C2 8328631 SXEWDUSEYKEHEG-LLVKDONJSA-N 313.353 3.280 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 69436013 ICBWXXPHHUHMJB-IAGOWNOFSA-N 315.800 3.252 0 40 DGAB C1=CC[C@@H]2CN(Cc3nc(CCc4ccccc4)no3)C[C@H]2C1 75768006 BXMSBTITCCLTRL-IAGOWNOFSA-N 309.413 3.253 0 40 DGAB CCC[C@H]1SCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 72289975 AKYLBFRDBHGBPN-CQSZACIVSA-N 322.455 3.046 0 40 DGAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@@H](CC1CCC1)c1ccccc1 97048275 YNZNJQQNWDTTCQ-JQHSSLGASA-N 314.429 3.154 0 40 DGAB CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 97045166 KKNQIDJRXCHYFW-CYBMUJFWSA-N 309.431 3.030 0 40 DGAB CCc1ccc(O)c(NC(=O)c2ncoc2[C@H]2CCCO2)c1 72307571 PAVURMNMTMIFMS-CYBMUJFWSA-N 302.330 3.046 0 40 DGAB O=C(NCCCOc1cccc2cccnc12)[C@H]1C[C@H]1C1CC1 84493975 PEEDVEVHKRRJFH-HOTGVXAUSA-N 310.397 3.166 0 40 DGAB CC[C@H](OC1CCCCC1)C(=O)N[C@H](C)c1c(C)nn(C)c1C 84718717 PBHNUFIKWLIVNQ-WBMJQRKESA-N 321.465 3.342 0 40 DGAB Cc1nn(C)cc1C(=O)N1[C@@H](C)c2ccc(F)cc2C[C@H]1C 95455930 WFTSTAPAOCKVST-PWSUYJOCSA-N 301.365 3.016 0 40 DGAB c1ccc(N[C@@H]2CCN(c3ccnc(N4CCCCC4)n3)C2)cc1 95467709 AIICMHPJLPRLGN-QGZVFWFLSA-N 323.444 3.158 0 40 DGAB NC1(C(=O)Nc2ccc3nc(-c4ccc(F)cc4)oc3c2)CC1 95971679 DVTDXDFPUZZUHL-UHFFFAOYSA-N 311.316 3.064 0 40 DGAB O=C(NC[C@@H]1CCCC[C@@H]1O)Nc1ccccc1C(F)(F)F 75145004 KLNWJJCWANYXME-GWCFXTLKSA-N 316.323 3.378 0 40 DGAB COc1ccccc1NC(=O)N1CCCC[C@H](N2CCCC2)C1 75134369 GQDYNYMWPVYSDA-HNNXBMFYSA-N 317.433 3.177 0 40 DGAB Cc1n[nH]c(SCc2ccc(NC(=O)c3ccco3)cc2)n1 20293665 PUHSGMMTNDXQQD-UHFFFAOYSA-N 314.370 3.251 0 40 DGAB CCCCCOc1ccc(NC(=O)C(=O)N[C@@H](C)CC)cc1 409258266 SKHAHTIXKLEAGV-ZDUSSCGKSA-N 306.406 3.109 0 40 DGAB COc1cccc(CNC(=O)c2cn[nH]c2-c2ccc(C)cc2)c1 72328920 BMDWYTDOGZGMOQ-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB CC(C)Sc1nc2ccc(NC(=O)/C=C\C(=O)O)cc2s1 31769034 JULWUSXLGWOTLL-WAYWQWQTSA-N 322.411 3.376 0 40 DGAB Cc1cc(C)cc([C@H]2CCCN2C(=O)c2nccn3ccnc23)c1 73676931 HOTNRGUILQIHKP-MRXNPFEDSA-N 320.396 3.323 0 40 DGAB Cc1oncc1C(=O)N1CCS[C@@H](c2cccs2)CC1 219517177 UHXPZMFTZLGTIQ-CYBMUJFWSA-N 308.428 3.365 0 40 DGAB COc1ccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)cc1 216957551 NWQFJXCMBBEKTA-UHFFFAOYSA-N 309.321 3.345 0 40 DGAB CC(=O)CC[C@H](C)CCCc1cccc(C(=O)O)c1C(=O)O 219398205 TVCWEUOMMJRDSK-LLVKDONJSA-N 306.358 3.411 0 40 DGAB COc1ccc(-c2nnc(-c3c(C)nc4sccn34)o2)cc1 216612304 YAHRDEODYFHEKD-UHFFFAOYSA-N 312.354 3.430 0 40 DGAB CCCn1nccc1C(=O)Nc1nc2c(C)cccc2s1 32611546 OMDFTGAOFGPJTP-UHFFFAOYSA-N 300.387 3.464 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccc(C)nc2)cc1 72211248 ZENCLMHRIHERJZ-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB Cc1ccccc1CS(=O)(=O)NC[C@H](C)c1ccccc1 224167007 AAAVQQWZFYHBIE-HNNXBMFYSA-N 303.427 3.218 0 40 DGAB CC(=O)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225263042 VQJBIXABEXAODE-NTUHNPAUSA-N 303.412 3.099 0 40 DGAB CC(=O)c1cccc(Nc2ccc(C(=O)NC(C)C)cc2N)c1 225435789 JWQVNPFQOMWKIL-UHFFFAOYSA-N 311.385 3.353 0 40 DGAB O=C(NCCSCc1cccc(Cl)c1)c1cccnc1 225428004 DOWGEDBXRHZPQE-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCCC(C)C 222905520 OGLYUPVHZIZICT-CQSZACIVSA-N 322.424 3.115 0 40 DGAB CC(C)(O)CSCCNC(=O)c1ccc2ccccc2c1 96412638 FGVDNKRZKBEVKQ-UHFFFAOYSA-N 303.427 3.074 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H](C(N)=S)CC[C@@H]1c1ccccc1 90586784 WEBIJDMCKKACQD-CHWSQXEVSA-N 306.431 3.413 0 40 DGAB NC(=O)C1CCN(c2ccccc2NCc2ccsc2)CC1 96499636 SCFFRZFFFVNSQT-UHFFFAOYSA-N 315.442 3.062 0 40 DGAB O=C(c1ccccc1)N1C[C@H]2CCC[C@H](Cc3cncnc3)[C@H]2C1 257302752 SEELLHAZXRXTPD-GUDVDZBRSA-N 321.424 3.208 0 40 DGAB CO[C@H]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)c2ccccc2)C1 252481964 CWBPHLOSHVHIKZ-CVEARBPZSA-N 317.429 3.359 0 40 DGAB Cc1nn(C)c(C)c1CCN[C@@H](CC(C)C)c1ccccn1 95419707 LGZFDBZYHMOCNY-SFHVURJKSA-N 300.450 3.351 0 40 DGAB COC(=O)Cc1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 106524210 XHIASPKZJLTPAR-SOUVJXGZSA-N 301.386 3.167 0 40 DGAB CNC(=O)c1ccc(Nc2ccc(Br)cc2)c(N)c1 212161832 JUPFGRSQURSJEN-UHFFFAOYSA-N 320.190 3.135 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)c(N)c1 226301255 CUIONQAQLBMYLG-CHWSQXEVSA-N 314.385 3.087 0 40 DGAB CSc1ccc([C@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 2348575 LCMLWHQUOMHYST-OAHLLOKOSA-N 323.373 3.348 0 40 DGAB COc1ccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc2c1 100703773 RCHRVEHDGLZISU-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB CC(C)(C)OC(=O)N[C@](C)(Cc1c[nH]c2ccccc12)C(=O)O 2583316 LJPMZDOWNYFYCN-QGZVFWFLSA-N 318.373 3.078 0 40 DGAB Cc1nnc(CSc2nnc(-c3c[nH]c4ccccc34)o2)o1 8191907 JKYIAWCYRMUEEW-UHFFFAOYSA-N 313.342 3.202 0 40 DGAB Oc1ccc(Nc2nc(Cl)nc(NCc3ccco3)n2)cc1 293737 KUCPQPDPLGDNEI-UHFFFAOYSA-N 317.736 3.179 0 40 DGAB aggregator O=C(CSc1ncccn1)c1ccccc1Br 3277250 BEVWNSBRKILCNG-UHFFFAOYSA-N 309.188 3.214 0 40 DGAB Cn1c(SCc2cccc(Cl)c2)nc2c(c1=O)SCC2 4339314 PCUFLFRZLJAHHJ-UHFFFAOYSA-N 324.858 3.374 0 40 DGAB CCOc1ccc(C)cc1S(=O)(=O)N[C@H](C)c1ccccc1 41095167 DQRFJSJKMIPUCD-CQSZACIVSA-N 319.426 3.433 0 40 DGAB Cc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)on1 46398998 JWBYKFDFZPBCOS-UHFFFAOYSA-N 314.385 3.283 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1cccc(F)c1 32763332 XWKSZKCBEBWLMK-HNNXBMFYSA-N 318.417 3.454 0 40 DGAB C[C@@H](Sc1nncn1C)C(=O)c1ccc(C(C)(C)C)cc1 2625139 QKLKRSTXMJDPLC-LLVKDONJSA-N 303.431 3.476 0 40 DGAB CCCN1CCC(NC(=O)c2ccc3c(c2)CCCC3)CC1 8130799 ZOUBLGWDQVHPOE-UHFFFAOYSA-N 300.446 3.170 0 40 DGAB CCOc1cc(CNCCCN(C)C)cc(Cl)c1OCC 8253877 MYZJKPXTPMZRIP-UHFFFAOYSA-N 314.857 3.179 0 40 DGAB COc1ccccc1[C@@H]1N(c2ccccc2)C(=O)N2CCCN12 552717 LQQHZJAKNBIYGF-KRWDZBQOSA-N 309.369 3.257 0 40 DGAB Cc1cc(NCc2cn3cc(Cl)ccc3n2)ccc1C(N)=O 103464544 ZVSLAZVPEYVUEZ-UHFFFAOYSA-N 314.776 3.007 0 40 DGAB C[C@@H]1C[C@@]2(CO)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O 118928798 OXYCLRYUYLGPSO-NIFXDIKSSA-N 320.473 3.178 0 40 DGAB CC[C@H](C)c1ccc(O[C@@H]2CN[C@H](C(=O)OC)C2)c(Cl)c1 42783115 NKLWJNRHKHGBRR-JKOKRWQUSA-N 311.809 3.136 0 40 DGAB CC[C@@H]1CCc2sc(C(=O)N(C)Cc3cnn(C)c3)cc2C1 24474139 GAKXBEIODCHHOI-GFCCVEGCSA-N 317.458 3.269 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102227308 VMCHLGWSINPFOR-ASHKBJFXSA-N 313.850 3.443 0 40 DGAB CCN1CCC(n2nccc2NC(=O)CC2=CCCCC2)CC1 106915968 DGQBPULNNLTIKX-UHFFFAOYSA-N 316.449 3.369 0 40 DGAB Cc1ccc2c(CC(=O)N[C@H](C)c3cnn(C)c3C)coc2c1 24998640 ZQPTWSSTAJKGRG-GFCCVEGCSA-N 311.385 3.203 0 40 DGAB CCCCC(=O)Nc1ccc(OC)c(OC[C@@H]2CCCO2)c1 48189868 LGFUAXVLRDQNBM-AWEZNQCLSA-N 307.390 3.382 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2)C1 3312292 JOBJAPNZHWNASZ-VXGBXAGGSA-N 309.793 3.001 0 40 DGAB CCOc1ccccc1NC(=S)Nc1ccc(OC)nc1 3359050 OILQSOHKTSNJAI-UHFFFAOYSA-N 303.387 3.298 0 40 DGAB CN(CCOc1ccccc1)C(=O)c1ccc(Br)o1 44274086 OYKYSPDHKGPPDA-UHFFFAOYSA-N 324.174 3.193 0 40 DGAB COC(=O)c1ccsc1NC(=O)[C@@H]1CCOc2ccccc21 76795430 FZRKVPOLUPOQJV-LLVKDONJSA-N 317.366 3.040 0 40 DGAB CC(C)N1CCC(N[C@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 108495531 MPZYUJICJIIXGD-OALUTQOASA-N 319.468 3.033 0 40 DGAB CCCN(Cc1nnc(C2CCC2)o1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 77321355 VWCJBZVLOYRUOF-IMJJTQAJSA-N 319.449 3.363 0 40 DGAB COc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 1981110 UOAXPIILHWAVCY-LLVKDONJSA-N 317.316 3.018 0 40 DGAB O=C(NC1CC1)[C@@H](N[C@H]1CCc2c(F)cccc21)c1ccccc1 58282236 FHVVFNRERIAIHH-OALUTQOASA-N 324.399 3.423 0 40 DGAB CN(C)[C@H](C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 62090487 JMGYSLQDNNTOBJ-KRWDZBQOSA-N 316.832 3.302 0 40 DGAB O[C@H](CSc1nnnn1C1CCCCC1)c1ccccc1 10422384 QKVIDSJSNNPXMZ-CQSZACIVSA-N 304.419 3.004 0 40 DGAB Cc1ccc(NC(=O)COc2ccc3ccc(=O)oc3c2)cc1 3493784 SULBWMWHDARKFN-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@@H](C)CC1 62927824 HVDVTKXRHRJRHV-LLVKDONJSA-N 316.430 3.171 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)Cc1n[nH]c2ccccc12)C1CC1 65115799 KSVXLHLNOHSEGC-LBPRGKRZSA-N 309.369 3.451 0 40 DGAB Cc1nnc(NC(=O)CSCc2ccccc2Cl)s1 13944188 YPHJXNLTTVWQJE-UHFFFAOYSA-N 313.835 3.372 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2ccccc2-n2cnnn2)cc1 6305338 XXLCAKLOFLPUGZ-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB CC(C)COCCCNS(=O)(=O)c1ccc2ccccc2c1 14190297 RYUVDCUZIURUBE-UHFFFAOYSA-N 321.442 3.181 0 40 DGAB CC(=O)c1cnn(-c2cc(Oc3ccccc3)nc(C)n2)c1C 5428939 RAIVCMJHJFQKDT-UHFFFAOYSA-N 308.341 3.274 0 40 DGAB COc1cccc(C(=O)NC(=S)Nc2ccc(C)cc2C)c1 5587834 ICMYXLCQOMVRRX-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB Cc1nn([C@H](C)CC(=O)n2nnc3ccccc32)c(C)c1Cl 8714511 XQUPWAPEHGQMGL-SECBINFHSA-N 317.780 3.190 0 40 DGAB Cc1ccc(C(=O)Cn2nc(-c3cccs3)oc2=O)cc1C 8777218 IGOWLDGXJOTAKI-UHFFFAOYSA-N 314.366 3.065 0 40 DGAB CCc1cccc(NC(=O)COC(=O)c2cc(C)oc2C)c1 4930136 RUAFLTBLPCJMHO-UHFFFAOYSA-N 301.342 3.254 0 40 DGAB CCN1CCN(C(=O)CCc2ccc(C(C)(C)C)cc2)CC1 23227792 SASJVNGZMRGLET-UHFFFAOYSA-N 302.462 3.081 0 40 DGAB COC(=O)c1sccc1NC(=O)Nc1ccc(F)cc1F 6938010 DDSKMBCGIGWPHA-UHFFFAOYSA-N 312.297 3.457 0 40 DGAB c1ccc(-c2nc3c(c(N4CCCCCC4)n2)CCNC3)cc1 67654860 QCHHISYKCWBUHC-UHFFFAOYSA-N 308.429 3.170 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 15624835 FVMPEFHWHGPPIT-UHFFFAOYSA-N 311.337 3.303 0 40 DGAB COc1ccc(NS(=O)(=O)c2cccc(F)c2)cc1Cl 7428317 NFRWGWWJQWRLAA-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1 7785353 OXXQVRRKZVQWAO-DOMZBBRYSA-N 305.422 3.222 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccsc1 9387354 WEDNXLRXNNMXLU-SNVBAGLBSA-N 309.822 3.256 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)COC[C@H]2CCCO2)c1 71890838 LNOCISKVTUNFLE-SWLSCSKDSA-N 309.431 3.245 0 40 DGAB COc1cccc(Cc2nnc(NC(=O)C=C(C)C)s2)c1 71884481 VFHWTHFFUDSIBY-UHFFFAOYSA-N 303.387 3.042 0 40 DGAB CCOC(=O)CC(=O)c1ccc(Cl)c(Br)c1 97054400 IHOADSQFWLZGMH-UHFFFAOYSA-N 305.555 3.238 0 40 DGAB in-vitro CCOc1c(Cl)cccc1NC(=O)N(C)Cc1noc(C)n1 97080846 QUGQBRXYBVYERS-UHFFFAOYSA-N 324.768 3.094 0 40 DGAB Cc1ccc(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)cc1F 97159649 DMWAUTZHHJONIR-CYBMUJFWSA-N 314.360 3.292 0 40 DGAB Cc1n[nH]c(C)c1CNCc1cccc(OCc2ccccn2)c1 97159235 JSFOWJBDSLQQKR-UHFFFAOYSA-N 322.412 3.290 0 40 DGAB Cc1cccc(-c2noc(CNc3c(C)cccc3C(N)=O)n2)c1 72312413 UNOXJPOKFAVAHC-UHFFFAOYSA-N 322.368 3.064 0 40 DGAB COc1cc(Cl)ccc1C(=O)Nc1ccc2c(c1)CC(=O)N2 72819639 YQOTXQUBXYVSJR-UHFFFAOYSA-N 316.744 3.096 0 40 DGAB Cc1ncccc1NC(=O)CCc1nc(-c2ccccc2)no1 73347675 GPGBVQRUDKOQOR-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1nc(CN(C)c2ncccc2C(=O)OC(C)C)cs1 95941114 FBKJJSVEVQXZDV-UHFFFAOYSA-N 305.403 3.048 0 40 DGAB C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 95978200 KXYJLFLMABIJNV-GUYCJALGSA-N 313.376 3.075 0 40 DGAB CCOC(=O)N1CCC(NC[C@@H]2C[C@@H]2c2ccccc2)CC1 89153726 XPDJYFXWBKJJAK-DOTOQJQBSA-N 302.418 3.001 0 40 DGAB COC(=O)[C@H]1CCN(C(=O)c2ccc(F)cc2)c2ccccc21 89227946 FLBCMCCHFABQEJ-HNNXBMFYSA-N 313.328 3.133 0 40 DGAB CCOC(=O)c1cccc(NC(=O)CNc2ccccc2C)c1 409393684 YZINYODVBDHVST-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB O=C(NCc1ccccc1C(F)(F)F)c1n[nH]cc1Cl 32610849 MTQCOCPGYSIIJK-UHFFFAOYSA-N 303.671 3.012 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)Nc2nc(C)cs2)c1 33229157 LBBWKAOYKKCIIB-LLVKDONJSA-N 306.387 3.004 0 40 DGAB CN1CCC[C@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306134467 NOQSLUIAFGHJRK-HNNXBMFYSA-N 310.376 3.345 0 40 DGAB CC(C)C[C@H](C)OC(=O)C1CCN(C(=O)c2ccoc2)CC1 78442410 BHBKCANGTDOXCQ-ZDUSSCGKSA-N 307.390 3.110 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1ccc(Br)cc1 78605557 AKAPNAVVOVEUSU-UHFFFAOYSA-N 323.190 3.384 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 36121649 BSEVBIJSEUMTNE-KGOITJQVSA-N 307.271 3.017 0 40 DGAB Nn1c(SCc2ccc3ccccc3c2)nnc1C(F)(F)F 128599167 SORCYBUDCSGACR-UHFFFAOYSA-N 324.331 3.456 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NC[C@H](O)Cc1ccccc1 70639245 SNVAYYHMNKVXEZ-SIFUEBAJSA-N 315.800 3.073 0 40 DGAB COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)cc1OC 71978196 NISJORSLZSAWBO-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB CCc1noc(-c2cccc(NC(=O)COc3ccccc3)c2)n1 33012811 UQKQRMXLUYPYPX-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB COc1ccc(CCC(=O)N(Cc2cccn2C)C2CC2)cc1 62018277 HMYJIHYNYVCORB-UHFFFAOYSA-N 312.413 3.158 0 40 DGAB Cc1cc(/C=C(\C#N)C(=O)NC2CC2)c(C)n1-c1ccc(F)cc1 45828898 HTTRPFVFCQMODJ-XNTDXEJSSA-N 323.371 3.419 0 40 DGAB O=C(NC1CCC2(CC1)OCCO2)N1CCC2(CCCCC2)C1 73631708 SARKJKHUBDFHNB-UHFFFAOYSA-N 322.449 3.038 0 40 DGAB C[C@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(F)cc1 225721390 UPNNZLBMXDLYRB-ZDUSSCGKSA-N 324.355 3.018 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225052602 IVWZMULUGWZZCN-IYBDPMFKSA-N 302.462 3.401 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(C(=O)[C@H]3CC=CCC3)C2)c1 81639331 MGYPUTYOFXCNOM-GJZGRUSLSA-N 315.413 3.376 0 40 DGAB CCN(CC(C)(C)O)C(=O)Nc1ccc(SC)c(F)c1 83573071 CUGSOMIOSVUNCL-UHFFFAOYSA-N 300.399 3.172 0 40 DGAB CCO[C@H](C)c1nc(Cn2cc(-n3cccc3)cn2)cs1 81081308 RROORHCWKZFDBY-GFCCVEGCSA-N 302.403 3.276 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1ccc(Cl)cc1 225470938 SSIGYJSYHRFMKS-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB c1ccc(C[C@H]2CN(c3ncccn3)CC[C@@H]2OCC2CC2)cc1 96111193 MCMOROQOTUPTCM-OALUTQOASA-N 323.440 3.341 0 40 DGAB O=C(NC[C@@H](O)C1CC1)Nc1sc2ccccc2c1Cl 96406764 KFKJKXOIYDXLCU-SNVBAGLBSA-N 310.806 3.447 0 40 DGAB NC(=O)c1csc(CNc2ccc(SC(F)F)nc2)c1 97232043 RTTVTSWGEAJHCU-UHFFFAOYSA-N 315.370 3.169 0 40 DGAB C[C@@H](C(=O)N(C)[C@@H](C)c1ccncc1)N1CCc2ccccc2C1 96412361 QHTPDZYJNXSOTL-HOTGVXAUSA-N 323.440 3.048 0 40 DGAB NS(=O)(=O)c1nc(-c2ccccc2)sc1-c1ccccc1 94992792 MDQAFYOKXSTTRN-UHFFFAOYSA-N 316.407 3.125 0 40 DGAB CC[C@H]([C@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96519585 PQQKPQCWSDGECH-VXGBXAGGSA-N 311.230 3.240 0 40 DGAB C[C@@H]1C[C@@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC(C)(C)C1 97236249 GBPVYKCZBUGZMB-TZMCWYRMSA-N 317.433 3.184 0 40 DGAB Cc1ccc(CN2C[C@H]3CC[C@H]2[C@@H]3Oc2ccccn2)s1 248109810 QKKOAOYUCXFROE-UKPHBRMFSA-N 300.427 3.493 0 40 DGAB O[C@@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnoc2C2CC2)C1 583614648 JOVPHZLRNMOCDD-CZUORRHYSA-N 320.339 3.138 0 40 DGAB Cc1cncc([C@@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257312097 UMNIBOVIQYMJTP-CQSZACIVSA-N 323.387 3.317 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)Cc3ccccc3F)CC[C@@]2(C)C1 257274245 NKEMNSWPRUYMNB-KYJSFNMBSA-N 305.393 3.174 0 40 DGAB CN(C)CCc1ccc(NC(=O)C2(c3ccncc3)CCC2)cc1 585122162 OUUFAYBUXLYDOF-UHFFFAOYSA-N 323.440 3.246 0 40 DGAB Cc1c[nH]c([C@@H]2CN(Cc3ccc(Cl)cc3F)CCO2)n1 257322429 WFYDFAOICFCBNR-AWEZNQCLSA-N 309.772 3.084 0 40 DGAB CC1(C)CN(C(=O)NCc2cc3ccccc3s2)CC[C@H]1O 287619111 UADKESQAJZHJMC-OAHLLOKOSA-N 318.442 3.204 0 40 DGAB CO[C@H]1CCCN(C(=O)c2ccnc(C)c2)[C@H]1Cc1ccccc1 585275385 BBXVVMLFOWZCRT-OALUTQOASA-N 324.424 3.252 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)CCCc2cccs2)C1 43589659 WFTAGEJXKMPBBQ-CYBMUJFWSA-N 309.431 3.174 0 40 DGAB Cc1n[nH]cc1CNC(=O)C1(c2cccc(C(F)(F)F)c2)CC1 69568015 TUTUAQYWMKHRLC-UHFFFAOYSA-N 323.318 3.085 0 40 DGAB Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)NCC(C)C 69874248 QSKNZIJCCHNGSD-UHFFFAOYSA-N 303.406 3.009 0 40 DGAB COc1ccc(-c2cc(CC(=O)N3CCC[C@H](C)C3)no2)cc1 12866140 LDNLOJJYQNPUPT-ZDUSSCGKSA-N 314.385 3.151 0 40 DGAB Cc1cccc2sc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)nc12 12998452 OBONINOXVBAURS-GHMZBOCLSA-N 318.398 3.434 0 40 DGAB C[C@@H](NC(=O)c1ccccc1F)c1nc(-c2ccccc2)no1 13495433 NKVXZUPICOLEJR-LLVKDONJSA-N 311.316 3.367 0 40 DGAB COC(=O)c1ccc(NC(=O)/C=C/c2ccccc2OC)cc1 13981251 UYHCLDHXHZTUEZ-FMIVXFBMSA-N 311.337 3.134 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)CC(C)C 14404788 BQEKHFKLOBNPCB-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB CCn1c(=O)sc2cc(NC(=O)c3cccs3)ccc21 15830639 IVHXNVBAVNJRFO-UHFFFAOYSA-N 304.396 3.397 0 40 DGAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccc(C)o2)nc1C 5473904 ZKRLBZBAQUGMBC-BQYQJAHWSA-N 320.370 3.182 0 40 DGAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4476998 POLNACHDZLRYJG-GOSISDBHSA-N 312.344 3.101 0 40 DGAB CNC(=S)N(Cc1cccs1)c1ccc2c(c1)OCCO2 7102050 SHENFFIODJTINC-UHFFFAOYSA-N 320.439 3.030 0 40 DGAB COc1cccc(NC(=O)CN(C)Cc2ccc(F)cc2F)c1 24942681 JJCXJZSXRQYMDW-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB CCc1cc2c(=O)n(Cc3ccc(Cl)nc3)cnc2s1 31757602 LAZMELAXJKRTKF-UHFFFAOYSA-N 305.790 3.117 0 40 DGAB COC(=O)c1cc(-c2ccc(F)c(Br)c2F)on1 260169898 GAHLUTLMKCUUAR-UHFFFAOYSA-N 318.073 3.169 0 40 DGAB CCCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1 4304906 CWSYWURWTGOBDS-UHFFFAOYSA-N 314.410 3.268 0 40 DGAB Cc1nc(C)c(CN2CC(n3c(C)nc4ccccc43)C2)s1 1775974353 YKMRTELSJOPCIO-UHFFFAOYSA-N 312.442 3.475 0 40 DGAB ON1[C@H]2CCCC[C@H]2N(O)[C@H]1c1ccccc1C(F)(F)F 239274895 AVUONKCFKWYIRP-CLLJXQQHSA-N 302.296 3.411 0 40 DGAB O=C(NCc1ccc(F)cc1)Nc1cccc(-n2cccn2)c1 40121834 GSTFIVNLGFNAGV-UHFFFAOYSA-N 310.332 3.333 0 40 DGAB O=C(NCc1ccc(N2CCCCCC2)nc1)C1CCCC1 40541538 DPIBQRIWAFHLPW-UHFFFAOYSA-N 301.434 3.268 0 40 DGAB COc1cc(NC(=O)N(C)Cc2ccsc2)cc(OC)c1 40525934 BOBQVADIKPDONL-UHFFFAOYSA-N 306.387 3.429 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)NCCc1ccccc1 146296 OTVHPIWZGYALBP-UHFFFAOYSA-N 311.410 3.014 0 40 DGAB C[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCO3)c2C1 36770136 MDVPPOPTIVEUGX-UONOGXRCSA-N 324.424 3.268 0 40 DGAB Cc1sc(NC(=O)C2CC2)c(C(=O)OC[C@H]2CCCO2)c1C 11563929 WDBGSCVGQNHWFO-GFCCVEGCSA-N 323.414 3.049 0 40 DGAB Cc1ccnc(NC(=O)c2cc(C)nc3c2cnn3C(C)C)c1 11545047 HDMQIDUTMWHOQT-UHFFFAOYSA-N 309.373 3.276 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1cccnc1 29296762 GZCZERXZQPIEJG-SFHVURJKSA-N 305.381 3.469 0 40 DGAB CCCCOc1ccc(N)cc1C(=O)OCCCN(CC)CC 1669883 HGTYFQFMQWWKFI-UHFFFAOYSA-N 322.449 3.336 0 40 DGAB CCN(CC)[C@@H](CNC(=O)Nc1ccccn1)c1ccsc1 46253359 PYKCNPZRCSHIPP-AWEZNQCLSA-N 318.446 3.348 0 40 DGAB O=C(Nc1cccc(OCc2cccc(F)c2)c1)[C@@H]1CCCN1 32232116 GTUSBGRJDHDZLL-KRWDZBQOSA-N 314.360 3.095 0 40 DGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F 3262708 UCEGEBPZWZHXNX-JTQLQIEISA-N 309.337 3.105 0 40 DGAB O=C(COC(=O)CSc1ccccc1)Nc1cccc(F)c1 3499519 HKWOHGNYEKIUAM-UHFFFAOYSA-N 319.357 3.100 0 40 DGAB CCCC(=O)Nc1ncc2c(n1)C[C@H](c1ccccc1)CC2=O 350497 VRFLXRPMBPOVCA-ZDUSSCGKSA-N 309.369 3.128 0 40 DGAB CCN(C(=S)NC(=O)c1ccc(F)cc1)c1ccccc1 359048 QFGANEFABCKZQG-UHFFFAOYSA-N 302.374 3.367 0 40 DGAB CCc1nnc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)s1 21289364 SUMWBNFFZPVPIK-UHFFFAOYSA-N 300.387 3.451 0 40 DGAB CCCn1nnnc1NCc1cccc(OCc2ccccc2)c1 7263445 PRUGXAFOQWTSCL-UHFFFAOYSA-N 323.400 3.274 0 40 DGAB Cc1ccc(CNC(=O)c2occc2COc2ccccc2)n1C 21328125 DGXABBLNNOATOD-UHFFFAOYSA-N 324.380 3.436 0 40 DGAB O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@@H](CO)C1 70915801 YMDSXCNOWQCCAR-CQSZACIVSA-N 323.392 3.250 0 40 DGAB in-vitro CCONC(=O)CC12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 102425303 MGVXOBDJIPXTRA-IENTYSSBSA-N 316.239 3.178 0 40 DGAB CC(C)(C)c1ccc(CCNc2cn[nH]c(=O)c2Cl)cc1 32923673 TXATYDQVYVEPQV-UHFFFAOYSA-N 305.809 3.375 0 40 DGAB Cc1ccc(C2=C[C@H](c3cccc(F)c3)n3nnnc3N2)cc1 102794373 CDJGSGUXGIRGKM-MRXNPFEDSA-N 307.332 3.177 0 40 DGAB CC(C)=CCN1CCC(NC[C@@](C)(O)c2ccc(F)cc2)CC1 90891374 UMWRXXGYGKORJQ-LJQANCHMSA-N 320.452 3.053 0 40 DGAB COC(=O)c1ccccc1NC(=O)Nc1ccc(F)cc1F 51354088 NWNWMMQSGGBVIM-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c2nc(C3CC3)cc(C(=O)O)c12 12394526 HQTRSWDQCNGXHO-UHFFFAOYSA-N 311.316 3.444 0 40 DGAB CCN1CCN(C(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 59076383 UKHJITHNLFZXPC-LVZFUZTISA-N 320.436 3.391 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccccc1F 55694387 MHNFQNFDOYNYFN-CQSZACIVSA-N 317.360 3.097 0 40 DGAB CC1(C)C[C@@H](O)C[C@@]2(C)[C@H]1[C@@H](O)C[C@]13C[C@@H](CC[C@@H]12)[C@@](C)(O)C3 100145176 MGTDZPRNONHJLG-FCHSEPQJSA-N 322.489 3.112 0 40 DGAB CSc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 20795930 HWWDQRGIBQPAPL-LBPRGKRZSA-N 324.409 3.067 0 40 DGAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)c1ccccc1 24502361 APNHLXPNJLCYIV-UHFFFAOYSA-N 308.385 3.252 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc3[nH]cnc3c2)s1 106923095 SLWCDZHKGZNJKT-JTQLQIEISA-N 314.414 3.469 0 40 DGAB CN(CCCNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 107081975 JQDIBGGKXMZSIW-ULQDDVLXSA-N 300.446 3.455 0 40 DGAB O=C(NC1=NCCS1)c1ccccc1OCc1ccccc1 3226014 XHKRODDMFPVPKF-UHFFFAOYSA-N 312.394 3.098 0 40 DGAB C[C@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20549076 XFLUILIYAOXTNV-RBZYPMLTSA-N 303.233 3.102 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)cc1 21915108 HERNHWQSTZCEKO-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB CCOc1cc2c(cc1NC(=O)c1scnc1C)O[C@@H](C)C2 58161425 OWYVMWOCUKKEIX-VIFPVBQESA-N 318.398 3.426 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@H]1CCSc3ccccc31)CN2 58304963 DCJCYBHPVQBMKW-HIFRSBDPSA-N 314.458 3.060 0 40 DGAB Cc1ccc(SCC(=O)NCCOCc2ccccc2)cc1 177065359 GWIDDEDOZSYTCA-UHFFFAOYSA-N 315.438 3.420 0 40 DGAB CCCCc1nnc2sc(COc3ccccc3C)nn12 11278140 CAGHODJXRPVSOG-UHFFFAOYSA-N 302.403 3.416 0 40 DGAB O=C(CSc1ccccc1)NCCCOc1ccccc1 48331566 MOGHKDFJWRHDPF-UHFFFAOYSA-N 301.411 3.364 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)NCCCc1ccccc1 3454301 ZBKJGMJAKRURNH-INIZCTEOSA-N 308.425 3.187 0 40 DGAB OCCCN(CC1CCOCC1)[C@@H]1CCCc2ccccc21 81535430 YXPXZJXNLZQBBQ-LJQANCHMSA-N 303.446 3.175 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1C(C)(C)C)C(=O)NC(C)(C)C 69779344 YKGJGADBYROYPJ-LBPRGKRZSA-N 319.449 3.409 0 40 DGAB C[C@H](Sc1n[nH]c(N)n1)c1ccc(OC(F)(F)F)cc1 48987154 QMOOZJWDAURAOT-LURJTMIESA-N 304.297 3.139 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@]2(CCCc3ccccc32)C1=O 4285094 TWTVCGOUEWCMEZ-FQEVSTJZSA-N 320.392 3.279 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 22402418 SITPZIXYRGGUGR-NSHDSACASA-N 301.317 3.088 0 40 DGAB Cn1cnc2c1CCN(Cc1csc(-c3ccccc3)n1)C2 69483789 PBEGQAJXEDDCEZ-UHFFFAOYSA-N 310.426 3.102 0 40 DGAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 5347141 YGLDKTHFFIWAAO-NSHDSACASA-N 316.332 3.190 0 40 DGAB CN(Cc1ccco1)C[C@@H](O)CO[C@@H]1CCCc2ccccc21 14202076 FOTCGNFPIWFKRZ-VQIMIIECSA-N 315.413 3.167 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)C[C@H](C)O1 22009109 ZOTSLULDLOHCRD-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB COc1ccc(C(=O)NCCc2ccco2)cc1Br 8705915 MWDNFGCFLYROCJ-UHFFFAOYSA-N 324.174 3.023 0 40 DGAB O=C(O)c1oc2cc(O)ccc2c(=O)c1-c1ccc(F)cc1 19703159 NPAFICBUKKKPOS-UHFFFAOYSA-N 300.241 3.003 0 40 DGAB biogenic O=c1[nH]c(SCCc2ccccc2)nnc1Cc1ccccc1 9418553 IRCJOVXWUWFSMY-UHFFFAOYSA-N 323.421 3.091 0 40 DGAB Nn1c(SCc2cccc(Cl)c2)nc2ccccc2c1=O 71768793 QBVTZNIHZMLAKW-UHFFFAOYSA-N 317.801 3.056 0 40 DGAB CCC(CC)c1cc(C(=O)Nc2nc(-c3ccoc3)n[nH]2)on1 96423631 RYTAHBNQCPRHIO-UHFFFAOYSA-N 315.333 3.209 0 40 DGAB Cc1cc(C(=O)N2CCO[C@@H]3CCC[C@@H]32)c2ccc(F)cc2n1 71831289 MROIBMSKPADZJO-DLBZAZTESA-N 314.360 3.076 0 40 DGAB CC(C)[C@H]1CCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 71829989 MREIJJQRUHOULC-OAHLLOKOSA-N 300.406 3.273 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2ccc(Cl)o2)no1 72299421 VEOGRXDZCHMRRO-VIFPVBQESA-N 309.753 3.417 0 40 DGAB CN(CCOC(=O)CCC(=O)c1ccccc1)c1ccccc1 83860973 LCYDMVMLPORHOF-UHFFFAOYSA-N 311.381 3.329 0 40 DGAB Cc1[nH]nc(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)c1C 72285749 DZGDAFGPDPTZCB-JTQLQIEISA-N 309.316 3.119 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n1 72235778 SSWAJQOFWDPAJI-MJGOQNOKSA-N 323.440 3.393 0 40 DGAB C[C@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1cccnc1 97038844 WZQILQPUBRGNOZ-AWEZNQCLSA-N 312.417 3.123 0 40 DGAB C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1cccc(F)c1 97018540 MAGAGVDLFNJYPK-GFCCVEGCSA-N 315.344 3.286 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)c1ncoc1C 97048601 JNHVKVSZWJOKMK-UHFFFAOYSA-N 324.178 3.430 0 40 DGAB COCCOc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 97037410 HHZDPCCKJIONIW-ZACQAIPSSA-N 303.402 3.081 0 40 DGAB O=C(COC(=O)c1nccc2ccccc12)Nc1ccccc1F 72330293 ZGSIXHCBKJOSJM-UHFFFAOYSA-N 324.311 3.169 0 40 DGAB Cc1noc(C)c1N(C)C(=O)c1ccc(Br)s1 72306740 SEUICONVINTXCN-UHFFFAOYSA-N 315.192 3.392 0 40 DGAB COc1cccc(C(=O)NCCn2ccc3cc(OC)ccc32)c1 72401240 JPMSPEVCCCIXCC-UHFFFAOYSA-N 324.380 3.089 0 40 DGAB COC(=O)C[C@@H](C)SCc1cc(=O)oc2cc(C)ccc12 78819957 YTYAAZSMMKMAPR-LLVKDONJSA-N 306.383 3.286 0 40 DGAB Cc1sc(CNC(=O)Cc2cccnc2)nc1-c1ccccc1 95395241 FIUIPXZRECSZGX-UHFFFAOYSA-N 323.421 3.372 0 40 DGAB CCCn1cc(N[C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cn1 95991563 ZNSVAWGLDMOKOZ-QWHCGFSZSA-N 310.442 3.397 0 40 DGAB Cc1cc(C(N)=O)c(NC(=O)CCCSC(C)(C)C)s1 89582504 FSWRYHZINQKMNJ-UHFFFAOYSA-N 314.476 3.406 0 40 DGAB CC(C)COCc1c(I)cnn1C(C)C 408716247 KJPXMZZVKMRQND-UHFFFAOYSA-N 322.190 3.241 0 40 DGAB C[C@@H](O)CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 61011994 WOSVQLNBNUTKFJ-MRXNPFEDSA-N 321.424 3.069 0 40 DGAB Cc1nc(CCC(=O)O)cc([C@H]2CCCN2C2CCCCC2)n1 72363414 IEUOQLLPRDHOMK-QGZVFWFLSA-N 317.433 3.272 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc3ccccc3o2)cc1O 531486189 PFULEBYJMAVNMI-UHFFFAOYSA-N 303.339 3.248 0 40 DGAB COc1ccc(NC(=O)c2cc(Cl)ccc2OC)cc1N 36269842 HJPKDEYUHKPQHJ-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(OC)c3)C2)c1 33866521 AHPARIWRZMCMAU-IBGZPJMESA-N 324.380 3.401 0 40 DGAB CC[C@@H](NC(=O)NCc1cccnc1OC)c1ccc(C)cc1 32801859 XEAPBNSUBYBDCZ-MRXNPFEDSA-N 313.401 3.349 0 40 DGAB Cc1cc(CNS(=O)(=O)c2ccc(F)c(Cl)c2)c(C)o1 70640433 UFGLUFIAKLOOLV-UHFFFAOYSA-N 317.769 3.167 0 40 DGAB COC1(CN[C@@H]2CC[C@](C)(c3ccccc3)C2)CCOCC1 188255449 XSFYHRLZONTXIS-MSOLQXFVSA-N 303.446 3.282 0 40 DGAB c1ccc(CN2CCC(c3cncc(-n4ccnc4)n3)CC2)cc1 72355454 GRZRWGARIIMYMA-UHFFFAOYSA-N 319.412 3.042 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccccc2C=O)C1 228909425 JLGRVCVDXLODMR-AWEZNQCLSA-N 318.417 3.240 0 40 DGAB COc1cccc(N(C)S(=O)(=O)c2c(C)cc(C)cc2C)c1 222975300 XLMYIGMLEXTOCF-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCc1ccc([C@@H](C)CC(=O)N(C)C2CCS(=O)CC2)cc1 81833757 OGPRGIXNJSVGMX-KKXDOQTMSA-N 321.486 3.112 0 40 DGAB O=C(Nc1ccc(Br)c(F)c1)N1CCSCC1 96435429 JRJIKHCZSNYAJS-UHFFFAOYSA-N 319.199 3.169 0 40 DGAB Cc1nc(Cn2c(=O)oc3cc(C(=O)C(C)C)ccc32)cs1 96429044 YUGOFABZDOGZQV-UHFFFAOYSA-N 316.382 3.246 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1C(C)(C)O)c1ccc(Cl)s1 96487197 MTUSHGSGIQTXAL-GXSJLCMTSA-N 301.839 3.267 0 40 DGAB CC(C)(C)[C@H](NC(=O)N1CCC[C@H](CO)C1)c1cccc(F)c1 96455238 VJEYNMGIWHXMTE-XJKSGUPXSA-N 322.424 3.327 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 96192663 MQWRDKBMYGSQGP-SJKOYZFVSA-N 304.365 3.110 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)C1 241965646 UUSLBHXQPNJXLF-QWXYKEQDSA-N 321.505 3.334 0 40 DGAB C[C@@H](C(=O)NC1(c2ccc(F)cc2)CCOCC1)n1cccc1 252508307 XJPHXXATPOKIFN-AWEZNQCLSA-N 316.376 3.010 0 40 DGAB CCN1CC[C@H](c2cc(Nc3nc(C)c(C)s3)nc(C)n2)C1 257225309 FFRQRMCAKKUGRK-ZDUSSCGKSA-N 317.462 3.411 0 40 DGAB CC(C)(C)OC(=O)CC1(c2nc(-c3ccncc3)no2)CCC1 585133884 YUDGQGFDCCLWJA-UHFFFAOYSA-N 315.373 3.285 0 40 DGAB O=C(c1cccs1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257344205 ZWDSPDVVYPCSFM-LBPRGKRZSA-N 312.398 3.039 0 40 DGAB COC(=O)c1ccc(C(F)(F)F)c(O[C@@H](F)C(F)F)c1 642887173 URKOBQRLBOGONG-SECBINFHSA-N 302.170 3.432 0 40 DGAB c1coc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)c1 585105190 PUSPZYFPGUQSSX-KRWDZBQOSA-N 319.445 3.467 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCO[C@@H]2CCC[C@@H]21 56194079 DCENOQOADHXSSE-LSDHHAIUSA-N 304.777 3.215 0 40 DGAB C/C(=C\C(=O)N(C)C1CCN(C)CC1)CCc1ccccc1 96257562 YECYBXXSAYNPKK-FOCLMDBBSA-N 300.446 3.118 0 40 DGAB Clc1ccccc1C1(CNC2=NCCCN2)CCCCC1 97032405 BXHBZUJGFCVLJS-UHFFFAOYSA-N 305.853 3.481 0 40 DGAB O=C(/C=C/c1ccco1)OCc1nc(-c2cccs2)no1 7170461 HIVSCFWPWQRDTD-AATRIKPKSA-N 302.311 3.148 0 40 DGAB COc1cccc2cc(C(=O)Nc3ccc(F)cc3)c(=N)oc12 5125374 RWHHARUMKVMEIJ-UHFFFAOYSA-N 312.300 3.312 0 40 DGAB CC(C)c1ncc(CN(C)Cc2cc(O)nc3ccccc23)cn1 12188441 ZSWDLBBOSNWWRC-UHFFFAOYSA-N 322.412 3.486 0 40 DGAB CCC[C@@H](C)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 12533675 TTYSVUXZVDIUTF-CYBMUJFWSA-N 323.868 3.467 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCCCC2)c(C)c1 18162533 TZACCYNODFKLQM-UHFFFAOYSA-N 305.491 3.466 0 40 DGAB O=C(CCc1ccncc1)NCCCc1ccc(Cl)cc1 19333625 JUBYEHPJEQPQCF-UHFFFAOYSA-N 302.805 3.417 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@H]2C[C@H]3C=C[C@@H]2C3)c2ccccc12 169680722 BVKKIUFWFPTIGS-ARFHVFGLSA-N 322.408 3.172 0 40 DGAB CN(Cc1ccccc1)c1ccc(NC(=O)C2CCNCC2)cc1 165666192 HCALSWQYCSGBPK-UHFFFAOYSA-N 323.440 3.261 0 40 DGAB CCc1cccc(CC)c1NC(=O)N(C)[C@H](C)C[S@](C)=O 153537565 IANCKRREXOMWSB-XUSGNXJCSA-N 310.463 3.042 0 40 DGAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)C)cc21 8959496 IDVKHZCFJWBXDK-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB COC(=O)C1(NC(=O)[C@@H](C)Sc2ccccc2)CCCCC1 22503815 LBYPACVAHLDJPA-CYBMUJFWSA-N 321.442 3.159 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccc(F)cc1 5154034 LZPZEMNBNLQMPS-UHFFFAOYSA-N 324.355 3.303 0 40 DGAB Cn1cc(CC(=O)NC[C@@H]2COc3ccccc32)c2ccccc21 561857129 XCQPNDOUAAMCGS-OAHLLOKOSA-N 320.392 3.013 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NC[C@H]1Cc2ccccc2O1 40074532 AKVFWWHKORTYIO-MRXNPFEDSA-N 320.392 3.220 0 40 DGAB C[C@H](Sc1ncc2ccccn12)c1nnnn1-c1ccccc1 40127516 JWTCEHZRQNSQTR-LBPRGKRZSA-N 322.397 3.163 0 40 DGAB COc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)c(OC)c1 421447 HUJPLHJHNMEOLS-UHFFFAOYSA-N 324.380 3.466 0 40 DGAB COc1ccc(-c2csc(NC(=O)c3cccnc3)n2)cc1 4474640 YCNJJIPTBKGWCL-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB O=C1CCCN1Cc1cccc(C(=O)N2CCc3ccccc32)c1 32747774 MCBUYGASVKLFPF-UHFFFAOYSA-N 320.392 3.012 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)C(C)C 2660775 NGBQGAOKNLXCJD-UHFFFAOYSA-N 307.390 3.130 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1N 6960667 DBVSWKPJTYELSS-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB COC(=O)c1cc(NC(=S)NC(C)(C)C)ccc1Cl 54926335 OTZFZCCKFKEJMA-UHFFFAOYSA-N 300.811 3.212 0 40 DGAB C[C@@H](CC(=O)c1ccccc1)NC(=O)[C@@H]1CCOc2ccccc21 89894599 FLXBWFQPQGJAGI-WMLDXEAASA-N 323.392 3.330 0 40 DGAB Cc1ccc(CSc2nnc(-c3ccccc3F)n2N)cc1 532304 MOAKZTYRNWXQSW-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB O=C(NCCCN1CCCC1)c1cc2c(F)cccc2s1 53287890 ICKJEJMJPOXDQI-UHFFFAOYSA-N 306.406 3.256 0 40 DGAB O=C(c1cccn1Cc1ccccc1)N1CCO[C@H]2CCCC[C@H]21 69392881 NBOLOYALRVWYAH-MJGOQNOKSA-N 324.424 3.320 0 40 DGAB COC(=O)CCNc1nc(-c2ccsc2)nc2ccccc12 22803662 SFEQWZUMTMURLN-UHFFFAOYSA-N 313.382 3.333 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1 24743545 KZCYQICVHIMRDT-GFCCVEGCSA-N 309.325 3.143 0 40 DGAB CC12CC(Br)(Br)C(=O)C3[C@H]1CCC[C@H]32 103013243 BCMYWQPYOXUYLB-BGPATTHWSA-N 322.040 3.498 0 40 DGAB NC(=O)[C@H](Nc1ccc(Br)cc1)c1ccccc1 26161707 DSMYUJAKMQITFJ-CYBMUJFWSA-N 305.175 3.088 0 40 DGAB Cc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671460 CJZGLYOCUKJQKC-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB Cn1ccc2ccn(Cc3coc(-c4ccc(F)cc4)n3)c(=O)c21 69744925 KEWKMANWQPENQH-UHFFFAOYSA-N 323.327 3.182 0 40 DGAB CCCc1cc(C(=O)N[C@@H](C)c2nnc3n2CCC3)sc1C 44934430 GCVYPTNXEZGYQK-JTQLQIEISA-N 318.446 3.038 0 40 DGAB C[C@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccco1 44966700 JVGGBVXTLOTAFE-AWEZNQCLSA-N 324.384 3.085 0 40 DGAB Cc1occc(=O)c1OCC(=O)Nc1ccc(C(C)C)cc1 36274364 HEFFTDICFCCOFW-UHFFFAOYSA-N 301.342 3.089 0 40 DGAB biogenic C[C@H]1CN(C(=O)CCCc2nc3ccccc3s2)[C@H](C)CO1 45446781 RRPUUVYQZUISFH-OLZOCXBDSA-N 318.442 3.255 0 40 DGAB Cc1cc(C)nc(N2CC=C(c3c[nH]c4ncccc34)CC2)n1 24055984 ZFZFITMZUHFIAD-UHFFFAOYSA-N 305.385 3.263 0 40 DGAB C[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1cc2ccccc2o1 12749900 MWAIXIYMXAAUBI-NSHDSACASA-N 308.337 3.023 0 40 DGAB Cc1cc(C)n2nc(C(=O)Nc3cccc4ccccc34)nc2n1 3412176 WQBUJSLBSYTGEL-UHFFFAOYSA-N 317.352 3.147 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)s1 12912309 DPURIKSIVQYPGV-UHFFFAOYSA-N 318.373 3.166 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cccc(OC(F)F)c1 6083008 LRGBVOWANXHWNR-UHFFFAOYSA-N 303.268 3.417 0 40 DGAB O=C(CCCc1cccs1)N1CCCC[C@@H]1Cn1cccn1 69971297 WRNTWJQADMQNSY-OAHLLOKOSA-N 317.458 3.349 0 40 DGAB COc1ccc(CNC(=S)c2ccc(OC)c(OC)c2)cc1 408571933 DJKUAQGQAOWSAT-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc2c(c1)CCC2 26781551 BLXHPQHXJOYOKB-IIDMSEBBSA-N 303.446 3.178 0 40 DGAB CC(C)NC(=O)c1nnn(-c2ccccc2)c1-c1ccccc1 4483168 ZRIKTFSGCRSKLT-UHFFFAOYSA-N 306.369 3.073 0 40 DGAB CC(=O)Cn1cnc2sc(C)c(-c3ccc(C)cc3)c2c1=O 4425655 HGOQJCHGMORLFF-UHFFFAOYSA-N 312.394 3.331 0 40 DGAB c1ccc(-c2nnn(CN3CCC[C@@H]3c3cccs3)n2)cc1 14248724 NOPNAVBSACUEMN-CQSZACIVSA-N 311.414 3.196 0 40 DGAB COC(=O)c1cccc(NC(=O)CCC(=O)c2cccs2)c1 14788429 OMLYPZLUOFMBJS-UHFFFAOYSA-N 317.366 3.136 0 40 DGAB COc1cc(CSc2nnc(N)n2C2CC2)ccc1SC 68050560 PSYOMSNXZKJTJU-UHFFFAOYSA-N 322.459 3.218 0 40 DGAB C1=C(CN2CCC[C@@H](N3CCCC3)CC2)COc2ccccc21 93563914 SYQJNGBULIRUIQ-LJQANCHMSA-N 312.457 3.413 0 40 DGAB NC(=O)Nc1cccc(C(=O)OCc2cccc3cccnc23)c1 9335884 MNCNENSOIVUCPG-UHFFFAOYSA-N 321.336 3.082 0 40 DGAB C[C@H](NC(=O)N[C@@H]1C=CCCC1)c1noc(-c2ccccc2)n1 89913721 GVMQFJQCGGEELT-GXTWGEPZSA-N 312.373 3.206 0 40 DGAB Cc1ccc(NC(=O)COc2cc(C)c(C)nn2)c(Cl)c1 71883967 WCWJZEKSHUISHP-UHFFFAOYSA-N 305.765 3.073 0 40 DGAB COCCCCC(=O)N[C@@H](c1ccc(F)cc1)C(F)(F)F 71911050 VORSCPXKZORGMR-ZDUSSCGKSA-N 307.287 3.362 0 40 DGAB C[C@H]1CCCCN1C(=O)CSc1ncnc2ccsc12 9690588 VYCMKJQPUGQSTQ-JTQLQIEISA-N 307.444 3.184 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)c2cccnc2C(F)(F)F)C1 97036908 RRYNJEXIVPQYHV-DTWKUNHWSA-N 304.337 3.114 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)c3ccc(C)c(N)c3)C2)cc1 97228892 CXWHKLSVUUHUMV-INIZCTEOSA-N 310.397 3.216 0 40 DGAB C[C@H](NC(=O)CN(C)Cc1ccc(Cl)nc1)c1cccs1 84667289 SKJLQWKHQMNQPI-NSHDSACASA-N 323.849 3.106 0 40 DGAB Cc1cc(C)cc([C@H](NC(=O)c2cn[nH]c2C)c2cccnc2)c1 95395702 NBJHXWXENRXEFZ-GOSISDBHSA-N 320.396 3.249 0 40 DGAB CC[C@H](NCc1cnn(C)c1)c1nc(C(F)(F)F)cs1 72926720 LHPMNSYAYCLJEC-VIFPVBQESA-N 304.341 3.136 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@H](C)c2sccc2C)c1 95422667 JZOIYJWOTDFDCW-WBMJQRKESA-N 321.442 3.458 0 40 DGAB Cc1ccc(C(=O)N2CCOCC2)cc1NCc1ccsc1 95429241 MMYJMIDVBWFSON-UHFFFAOYSA-N 316.426 3.141 0 40 DGAB C[C@H](NCCNc1nccc(C(F)(F)F)n1)c1cccs1 95422768 UCVCYKJQKWVMSQ-VIFPVBQESA-N 316.352 3.320 0 40 DGAB CC(C)[C@@H]1CC[C@H](C)CCN1C(=O)c1nccn2ccnc12 73793628 YDROYEXKJJWADX-KBPBESRZSA-N 300.406 3.016 0 40 DGAB C[S@](=O)c1ccc(CN[C@]2(C)CCc3ccccc3C2)cc1 85329430 XHPPDRWPOFSSNC-DENIHFKCSA-N 313.466 3.461 0 40 DGAB C[C@@H](NC[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 95967848 VUYCHCVDPUQMKS-FZKQIMNGSA-N 300.377 3.095 0 40 DGAB CCc1noc(CN(C)C(=O)c2cccc(Cl)c2Cl)n1 60370476 XJJNQJTVXWCCDB-UHFFFAOYSA-N 314.172 3.211 0 40 DGAB CCOc1ccc2cc(S(=O)(=O)NCC(C)C)ccc2c1 36638902 NZECTVIJTLEZRQ-UHFFFAOYSA-N 307.415 3.173 0 40 DGAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 72227120 MQZBLZROYQHMBP-LSDHHAIUSA-N 320.314 3.429 0 40 DGAB CC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(F)c3)n2)C1 72361719 FGTKIFZVTPFYBX-CYBMUJFWSA-N 315.348 3.134 0 40 DGAB C[Si](C)(C)c1c(F)cc(I)cc1F 219786951 XSTRCNYWQURGAY-UHFFFAOYSA-N 312.173 3.115 0 40 DGAB CCOC(=O)[C@H](CN)[C@@]1(N(CC)CC)C[C@H]2CC[C@]1(C)C2(C)C 72210474 OCKDPBVSIVVMTJ-OHQAAIJDSA-N 324.509 3.051 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H]([C@H](N)c2ccccc2)COC1(C)C 72208809 OEXNURJONFKAOX-ZIAGYGMSSA-N 306.406 3.058 0 40 DGAB CC1(C)OCC2(CO1)CN(C(=O)c1cc3ccccc3s1)C2 70971949 CMIQJLNKUJNMND-UHFFFAOYSA-N 317.410 3.126 0 40 DGAB COc1ccc(C[C@@H](Oc2ccccc2)C(=O)O)cc1Cl 225122249 KIENXZXLOARFJH-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cc1cccnc1NC(=S)NCCCOC1CCCCC1 225618645 PGKFTMYEJVUWEM-UHFFFAOYSA-N 307.463 3.416 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)C(C)(C)O3)s1 46088490 RMNUZXASTRSYOK-UHFFFAOYSA-N 316.382 3.418 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NC(C)(C)C 224050815 XVNIUWQNXAZYRD-GFCCVEGCSA-N 324.852 3.382 0 40 DGAB S=C(NCCSCc1ccccc1)Nc1ccncc1 225291875 YOFSADISNBEXHT-UHFFFAOYSA-N 303.456 3.301 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc(O)ncn1 225523762 AVZYHKVIJBQUNG-UHFFFAOYSA-N 317.654 3.107 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(C)cc1I 225007938 DYWAADXYEHUPPN-VIFPVBQESA-N 317.170 3.128 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC([C@H](O)c2nccn2C)CC1 191073214 CRSBVLHKAIZWOD-SZMVWBNQSA-N 317.477 3.158 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=S)NCC(C)C)c1 225275845 XCFLPSXRCMCYBE-UHFFFAOYSA-N 300.811 3.069 0 40 DGAB Cc1ccc(NC(=O)c2ccncc2)cc1C(=O)N(C)C(C)C 193373653 WXYAHEMPMRPJCE-UHFFFAOYSA-N 311.385 3.123 0 40 DGAB Cc1nc(C)c(CNc2ccc3c(c2)C(=O)N(C)CC3)s1 95429283 ITRLYLDVBMTRIW-UHFFFAOYSA-N 301.415 3.000 0 40 DGAB COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCC(=O)C[C@@H]1C 95449650 AASSRAZVNCQJBW-XHDPSFHLSA-N 323.820 3.013 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c(C)c1 96421868 OOXSTBOFOAOXHW-BMFZPTHFSA-N 318.417 3.329 0 40 DGAB COC[C@@H](C)CN(C)C(=O)c1ccc2ccc(Cl)cc2n1 96460170 GTRKWSNFRBHGRT-NSHDSACASA-N 306.793 3.243 0 40 DGAB Cc1cc(NC(=O)N2CCC3(CCCCC3)C2)ccc1C(N)=O 96434665 VXNWTHXQSOPDHK-UHFFFAOYSA-N 315.417 3.282 0 40 DGAB CN(Cc1cccc2[nH]ccc12)C(=O)C(F)(F)C1(O)CCCC1 585082017 PUZSMHMXUMKAMX-UHFFFAOYSA-N 322.355 3.067 0 40 DGAB O=C(NCCc1ccccc1)c1cccnc1-c1cncs1 257319955 VUTGPBHHTJSDSG-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB Cc1ccc(CC(=O)N2CCC(Cc3ccncc3)CC2)s1 257302996 SFIWTIAEIJZXBM-UHFFFAOYSA-N 314.454 3.475 0 40 DGAB C[C@H](NC(=O)C(F)F)c1ccc(Oc2cccnc2)c(F)c1 252487595 HXXBLXRUBSTGHX-VIFPVBQESA-N 310.275 3.455 0 40 DGAB CC[C@@H](C)NC(=O)CCCOc1ccc(-c2cnn(C)c2)cc1 252482608 DKKUWDSDYPCBJI-CQSZACIVSA-N 315.417 3.161 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1nc(C)oc1C)CCCC2 645765773 BSKPEIRGRCTLQY-UHFFFAOYSA-N 300.358 3.283 0 40 DGAB CC[C@H](NC(=O)NCC[C@@H]1CCCCO1)c1c(C)noc1C 97055261 IIUCSIBSHPBTLQ-KBPBESRZSA-N 309.410 3.001 0 40 DGAB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 12657863 XLODFPCYPIRCNC-NQNHHKAXSA-N 324.436 3.022 0 40 DGAB biogenic CCN(CC)C[C@@H](O)CNc1c(C)cnc2cc(Cl)ccc12 16890043 DPTZFBWALSIQRG-AWEZNQCLSA-N 321.852 3.311 0 40 DGAB CCOC(=O)N1CCC[C@@H](Cc2nc(-c3ccsc3)no2)C1 207014977 QJYSXKIIMRSIIV-NSHDSACASA-N 321.402 3.209 0 40 DGAB COC(=O)[C@H]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 606302394 JRXBQJDDLHGXNQ-ZDUSSCGKSA-N 311.422 3.367 0 40 DGAB CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1 2659472 QTFYQESZBFEZKO-UHFFFAOYSA-N 300.358 3.306 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(C(=O)c3ccccc3)cc2)C[C@@H](C)O1 4164205 WYLWBOHMUGWEDR-HUUCEWRRSA-N 323.392 3.167 0 40 DGAB Nc1nc(Cl)cc(NCc2csc(Br)c2)n1 29627461 YBIDJGHHOCFQMO-UHFFFAOYSA-N 319.615 3.148 0 40 DGAB Cc1cc(NC(=O)NCc2cccnc2OC2CCCC2)no1 31096892 XGXIATDUMWCONH-UHFFFAOYSA-N 316.361 3.021 0 40 DGAB Cn1ncc2c(NCc3ccc(Cl)cc3Cl)ncnc21 4338812 YNSPTTGNGBLDCO-UHFFFAOYSA-N 308.172 3.282 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8798656 UOBFNQUSCOQKQL-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB O=C(/C=C/c1cccs1)N1CCC[C@H](Oc2ccncc2)C1 575611973 HQMDNJJVXNROKM-NFAHFFEMSA-N 314.410 3.226 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccc3ccccc3n2)C1 2298199214 HZSITICDNXFEGB-HNNXBMFYSA-N 311.429 3.366 0 40 DGAB COc1cccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)c1 40286480 JDWLVSKIIGKIIQ-HNNXBMFYSA-N 320.352 3.400 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n1 40556013 BGSNPIGCZNLRRU-LLVKDONJSA-N 320.780 3.443 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)CCc1ccsc1 89894918 ZLAAZKOSCDCHCT-XJKSGUPXSA-N 303.427 3.309 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)NCC2CCC2)CC1 45757496 AAHDKQWATQURAD-UHFFFAOYSA-N 315.461 3.059 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cn1ccc2ccccc21 581691 GZJYJRSDRAZCRA-UHFFFAOYSA-N 308.337 3.067 0 40 DGAB CCN(CC)C(=O)c1csc(Nc2ccc(OC)cc2)n1 819484 JPUSJRHUSPIQIT-UHFFFAOYSA-N 305.403 3.377 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)O[C@H]1C[C@@H](C)OC1=O 32741796 ORFFXFJBPIBEAX-APPZFPTMSA-N 323.395 3.041 0 40 DGAB Cc1ccc(C)c([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678353 FXRFGCAEQNLUBV-BXUZGUMPSA-N 301.415 3.498 0 40 DGAB Cc1oc(-c2ccco2)nc1CN1CCC[C@@H]1Cn1cccn1 69740155 LAFUEYYQZNMQFN-CQSZACIVSA-N 312.373 3.104 0 40 DGAB CN(CCCNC(=O)Cc1ccccc1F)c1ccccc1 57288544 BKQFTJHMHXSSKU-UHFFFAOYSA-N 300.377 3.011 0 40 DGAB Cc1nc2ccccc2nc1OCC(=O)c1cc(C)n(C)c1C 2629479 DMXIUOJLHTWMEO-UHFFFAOYSA-N 309.369 3.155 0 40 DGAB COc1cccc(NC(=O)CN(C)Cc2sccc2C)c1 8309817 PSZRJRPYGPGMTO-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB COC(=O)c1cn(CC(=O)Nc2ccccc2C)c2ccccc12 807225 OUHAJASBPBDVRX-UHFFFAOYSA-N 322.364 3.375 0 40 DGAB O=c1[nH]c2c(=S)ncn(-c3ccccc3)c2n1-c1ccccc1 101434542 IDCMKYXURPTTSN-UHFFFAOYSA-N 320.377 3.234 0 40 DGAB Cc1noc(CSc2nnc(NC3CCCCC3)s2)n1 23374589 AQVXAXPKNFYOFE-UHFFFAOYSA-N 311.436 3.266 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 23424772 TXEAUWMNZALGOM-KFWWJZLASA-N 304.434 3.248 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 104879510 HWIXGTMIDPYTFK-LMOYCYGVSA-N 312.413 3.126 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 55687194 KBHIAJMUMDUUDQ-TVQRCGJNSA-N 312.772 3.113 0 40 DGAB O=C(N[C@@H]1COc2ccccc21)N[C@H](c1nccs1)C1CC1 76086514 HLWQQXVYLFVOAX-OCCSQVGLSA-N 315.398 3.027 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 76996054 SIORFLHCFVOGBN-YTQUADARSA-N 312.457 3.185 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccccc2OC(F)F)cn1 25300447 KUTUIZRBNQWCSK-LLVKDONJSA-N 306.312 3.482 0 40 DGAB COc1cc(C(=O)Nc2nc(C)cs2)cc2c1O[C@H](C)C2 12689043 NZEWRWGILPIWST-SECBINFHSA-N 304.371 3.036 0 40 DGAB COc1ccc(OC)c(CNc2cccnc2N2CCCC2)c1 83925582 FWBBFOGCAJWWOY-UHFFFAOYSA-N 313.401 3.311 0 40 DGAB CCCCc1cc(NC(=O)c2cc(C)nc3onc(C)c23)on1 78994080 XWFBQFHHZBFJFB-UHFFFAOYSA-N 314.345 3.423 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1cccc2c1OCCO2 58157149 FAHGPXNGLMUZFR-CQSZACIVSA-N 311.381 3.209 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)nc1)OCC(F)(F)F 44980513 ZWPLFQSKZJIYGU-UHFFFAOYSA-N 303.284 3.183 0 40 DGAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(F)c(Cl)c1 3352111 JTEORNSWQNKEDP-UHFFFAOYSA-N 323.707 3.225 0 40 DGAB CCc1n[nH]c(SCc2cc(=O)c3c(C)cc(C)cc3[nH]2)n1 21098863 BNBJJCVMDIUHKS-UHFFFAOYSA-N 314.414 3.118 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)/C=C/c1ccco1 3388385 HDVBZLULCUKKHQ-VOTSOKGWSA-N 319.744 3.437 0 40 DGAB C[C@H](C(=O)Nc1cc(F)ccc1F)N1CCc2sccc2C1 10767625 PYGJLUODEWIMBX-SNVBAGLBSA-N 322.380 3.412 0 40 DGAB O=C(N[C@@H]1COc2ccccc21)c1cc(-c2ccccc2F)on1 58727724 HFRIXTAIMPTIAN-OAHLLOKOSA-N 324.311 3.344 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccc3ccccc3c2)C1 12868323 GWPJSWWQFNSGGS-GASCZTMLSA-N 324.424 3.074 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cc2c(F)cccc2[nH]1 69489683 AYOGBIUIMSCALS-SJORKVTESA-N 315.392 3.006 0 40 DGAB CCCCc1cc(NC(=O)c2ccc(Br)o2)[nH]n1 49496047 BUAMXACWSVVNCN-UHFFFAOYSA-N 312.167 3.360 0 40 DGAB OCCCN(Cc1nc2ccccc2s1)CC(F)(F)F 69812574 NYEYIMHTSXGZOL-UHFFFAOYSA-N 304.337 3.043 0 40 DGAB CCCCC1=N[C@H]2Sc3c(NN)ncnc3[C@H]2C2=C1CCC2 6309788 QZTDZQSWEYDDAF-WBMJQRKESA-N 315.446 3.403 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2cccc3ccccc23)on1 5565902 JAKWIDUYHGBDMW-LBPRGKRZSA-N 324.336 3.320 0 40 DGAB CC(C)c1cnc(S[C@H]2CCN(C3CC3)C2=O)n1C(C)C 79014651 ZZBNSZYKVAUEEX-AWEZNQCLSA-N 307.463 3.443 0 40 DGAB CCCCN1C(=O)/C(=C/c2ccc(O)c(OCC)c2)N=C1S 5825120 XJISTSFWFUTFOK-XFXZXTDPSA-N 320.414 3.060 0 40 DGAB COC[C@@H](C)N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 6936868 JYRYQKRUFMXQBK-CABCVRRESA-N 312.413 3.305 0 40 DGAB Cc1cc(C)n(C(=O)Cc2nnc(-c3ccc(Cl)cc3)o2)n1 67172665 HOEJTOUBVKFWKU-UHFFFAOYSA-N 316.748 3.086 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1OC 15807570 PMZRMHUEHAVYEF-NSHDSACASA-N 318.398 3.218 0 40 DGAB Oc1cccc2c(NC(=S)NC[C@H]3CCCO3)cccc12 7519908 PDMMMLJWOTZIDJ-LLVKDONJSA-N 302.399 3.011 0 40 DGAB O=C(OCCOc1ccccc1)c1cc(Br)c[nH]1 19357983 BWUTVBONSIGAGI-UHFFFAOYSA-N 310.147 3.013 0 40 DGAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(C)cc1)C2=O 19320127 YFXKJMNHZOIPDB-UHFFFAOYSA-N 312.457 3.390 0 40 DGAB biogenic COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccccc2C)cc1 8130882 STBCRIIDBCHQDA-OAHLLOKOSA-N 312.413 3.463 0 40 DGAB CC(=O)NCCC(=O)Nc1cccc(Cl)c1SC(C)C 72295353 CTYYBGDUJHKOFP-UHFFFAOYSA-N 314.838 3.305 0 40 DGAB Cc1n[nH]cc1CNCc1ccccc1CN1CCCC[C@H]1C 71819593 DJRVQTGRQLOAPG-OAHLLOKOSA-N 312.461 3.382 0 40 DGAB C[C@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)cc1 97036806 MJJCBCYVDLYBKP-LLVKDONJSA-N 303.383 3.150 0 40 DGAB CCC1(CC)Oc2ccc(N[C@@H](C)CCn3cncn3)cc2O1 97105123 AWVJBCJLOZOBDI-ZDUSSCGKSA-N 316.405 3.456 0 40 DGAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@@H]1C[C@@H]1c1ccco1 97231222 CEVMXFXLGNRWDK-ZNMIVQPWSA-N 313.353 3.024 0 40 DGAB CN(Cc1ccncc1)C(=O)[C@@H]1CCCCN1Cc1ccccc1 95400368 OFWBHFNYPLTBPJ-IBGZPJMESA-N 323.440 3.095 0 40 DGAB C[C@@H](NC(=O)CC1(O)CCCCC1)c1csc(C2CC2)n1 73617198 FWNPWZKJJBYDBH-LLVKDONJSA-N 308.447 3.283 0 40 DGAB O[C@H](Cn1cc(Br)cn1)c1cccc(Cl)c1 95974741 URHSUTMZNTUDLP-LLVKDONJSA-N 301.571 3.033 0 40 DGAB CC1(C)C[C@H]1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 95987010 MPLNHARZVYAOFJ-INIZCTEOSA-N 323.440 3.057 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc2[nH]c(C(F)F)nc2c1 95977140 MGQJDXJCDBEKLV-UHFFFAOYSA-N 317.299 3.217 0 40 DGAB COc1cc(F)cc(NC(=O)Nc2nnc(C3CC3)s2)c1 89423867 SVQWWWKSKOSESC-UHFFFAOYSA-N 308.338 3.207 0 40 DGAB Cc1ccc(NC(=O)Nc2cnn(C)c2)cc1OCC(F)F 75126952 FFCSMHYTNWSNLS-UHFFFAOYSA-N 310.304 3.016 0 40 DGAB C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H](C)O1 25411256 CSEFGRIRMNGPOG-TXEJJXNPSA-N 311.809 3.111 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)N1C[C@@H]2CCC[C@H]2C1 122222298 HXPKQSJGRHMYKP-STQMWFEESA-N 322.380 3.115 0 40 DGAB CCCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@@H]3C2=O)cc1 4103960 NJXUPJUXAUDVRP-RMHZUWNSSA-N 311.381 3.177 0 40 DGAB O=C(Nc1cccnc1Oc1ccc2c(c1)OCO2)c1ccco1 71280970 RCDGXZOJDOKODP-UHFFFAOYSA-N 324.292 3.448 0 40 DGAB COc1cc(C(=O)OC[C@@H]2CC=CCC2)cc(OC)c1OC 72510648 ACSZJAZUVNRULT-GFCCVEGCSA-N 306.358 3.226 0 40 DGAB O=C(CCc1ccccc1F)NCCOc1ccc(F)cc1 45857265 DHCXVJFWSCURRI-UHFFFAOYSA-N 305.324 3.093 0 40 DGAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCCCC1 226852775 ZUNNJISLUZUFFC-OAHLLOKOSA-N 313.401 3.042 0 40 DGAB CCOC(=N)c1c(F)c(F)c(Br)c(F)c1F 228917341 FAPKIRAXBMNARX-UHFFFAOYSA-N 300.049 3.367 0 40 DGAB CSc1ccccc1[C@H](C)NC(=O)NCc1ccccn1 225655534 QRHGMIQDBOBVPM-LBPRGKRZSA-N 301.415 3.364 0 40 DGAB COc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1Cl 130585547 RTJWCLQLMICZNJ-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB COc1cccc(C(=O)NCCCc2ccc(C)cc2)c1OC 225047525 QMLDHVABOOWISW-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB c1ccc(CN2C[C@H]3CC[C@H](NCc4cncs4)[C@H]3C2)cc1 195559939 DBWMNLQTOBNVCP-NJAFHUGGSA-N 313.470 3.143 0 40 DGAB Cc1cc(CSCc2nnnn2C2CC2)c2ccccc2n1 96433412 CYWOEVHELJQHRO-UHFFFAOYSA-N 311.414 3.298 0 40 DGAB Cc1cncc(C(=O)N(C)c2ccc(-c3ccccc3)nn2)c1 96472863 YGHAFWWQOYMFPY-UHFFFAOYSA-N 304.353 3.124 0 40 DGAB C[C@](Cl)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96518330 CUKNQAQOFLANQZ-SNVBAGLBSA-N 315.605 3.176 0 40 DGAB CCn1cc2c(n1)CN(Cc1ccco1)C[C@@H]2COCC1CC1 96060414 QHBAXXYISWEJCO-OAHLLOKOSA-N 315.417 3.022 0 40 DGAB CCC[C@@H](CN(C)C1CCS(=O)(=O)CC1)c1ccccc1 95986757 HYFPUUOWEBGLMQ-INIZCTEOSA-N 309.475 3.079 0 40 DGAB Cc1cc(Cl)cc2cc(C(=O)N3CC[C@H](CO)C[C@@H]3C)[nH]c12 585085607 WFWATNBADUBSBU-RYUDHWBXSA-N 320.820 3.363 0 40 DGAB Cc1ccc(O)cc1C(=O)N[C@@H]1CCOC2(CCCCC2)C1 585135368 FMMLQMDOROOISY-CQSZACIVSA-N 303.402 3.312 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCC(c2cnccn2)CC1 257306175 STFAGDGPIGMZNJ-UHFFFAOYSA-N 313.426 3.047 0 40 DGAB c1c[nH]c(-c2cnc(C[C@H]3CCN(C4CCCCC4)C3)cn2)n1 257280110 OJMCKIQIANXAEX-CQSZACIVSA-N 311.433 3.064 0 40 DGAB Cc1ncsc1CN1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257314264 UWCOTCDZYNHMTH-VNQPRFMTSA-N 315.442 3.136 0 40 DGAB O=C(c1cccc(F)c1)N1CC[C@H](c2ncn3ccsc23)C1 257263049 LODDUBFJYSYXBT-LBPRGKRZSA-N 315.373 3.165 0 40 DGAB C/C=C/C(=O)N1CCN(c2nc(-c3ccsc3)cs2)CC1 96099885 NLHZFDYMMIAFNQ-NSCUHMNNSA-N 319.455 3.096 0 40 DGAB CO[C@](C)(CNC(=O)c1ccccc1C)c1ccccc1F 96123440 FQQOZRYPADZNBL-GOSISDBHSA-N 301.361 3.426 0 40 DGAB CC(C)n1nccc1CNc1ccc(F)c(-c2nc[nH]n2)c1 585141546 WWUYTTSARHWIAN-UHFFFAOYSA-N 300.341 3.000 0 40 DGAB FC(F)(F)COc1cccc(I)c1 42238724 MKOMFXXBGMUIRF-UHFFFAOYSA-N 302.033 3.232 0 40 DGAB COCCn1cnnc1SCc1c(F)cccc1Cl 43463970 NICMTADWKYXLNO-UHFFFAOYSA-N 301.774 3.009 0 40 DGAB O=C(Nc1nncs1)N[C@@H]1CCSc2ccc(F)cc21 48309016 FGJWRSHKWRLAEC-SECBINFHSA-N 310.379 3.036 0 40 DGAB C/C=C/C=C/C(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 56096617 GREHRLMBEQCDPQ-WJPDYIDTSA-N 304.353 3.467 0 40 DGAB C[C@@H]1CN(C(=O)c2sc3sccc3c2Cl)CCO1 65495218 GAKCEVKBCYCQJC-SSDOTTSWSA-N 301.820 3.477 0 40 DGAB COCCN(C(=O)[C@@H]1C[C@H]1c1ccccc1OC)C1CCCC1 69530695 QBSRUBVCMVJBKC-DLBZAZTESA-N 317.429 3.216 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@H]1CCCOc2ccccc21 69737374 LHXSCYJKECZHNF-HNNXBMFYSA-N 315.373 3.005 0 40 DGAB CCN(Cc1ccccc1)C[C@@H](O)COc1ccc(F)cc1 1469912 ZZOZLKXQFLFSQC-QGZVFWFLSA-N 303.377 3.088 0 40 DGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1Cl 5120466 YALCTQQTBUNOHN-NSHDSACASA-N 307.802 3.480 0 40 DGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(C)cc1 14232677 NVDGSWDEQXKLAS-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB O[C@@H]1C[C@@H](c2nc(-c3ccccc3)no2)N(C2CCCCC2)C1 15674083 PFOLHGWYTDGPTL-CVEARBPZSA-N 313.401 3.177 0 40 DGAB biogenic,in-vitro Cc1nn(C)cc1CN(Cc1ccccc1F)C[C@@H]1CCCO1 19583710 COMFFMRHLBNWPY-KRWDZBQOSA-N 317.408 3.049 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 168092761 LPHDWJWQVGENST-UXOAXIEHSA-N 301.773 3.037 0 40 DGAB O=C(Nc1ccc(Cl)c(F)c1)c1cc2c(nn1)CCCC2 1888879616 JBFXOUINJBSJGD-UHFFFAOYSA-N 305.740 3.400 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 129517 SYHHETDFFUCRJZ-UKRRQHHQSA-N 302.418 3.078 0 40 DGAB CNC(=O)c1c(NC(=O)/C=C/c2cccs2)sc(C)c1C 5144949 IYYLSTWDMJDRCC-VOTSOKGWSA-N 320.439 3.438 0 40 DGAB O=C(NCc1cc(-c2cccs2)on1)c1ccccc1F 12235758 QDVDLVRIJSMNPA-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB COc1ccc(CC(=O)NCc2cc(-c3ccccc3)on2)cc1 12235435 JDLKGDXFOUNQBU-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc21)Nc1ccccc1Cl 75155788 GGRYBCWOKSVUQR-QGZVFWFLSA-N 316.788 3.296 0 40 DGAB O=C(NCN1CCc2ccccc2C1)c1ccccc1Cl 20533695 KKTYMQKJGFNMCF-UHFFFAOYSA-N 300.789 3.086 0 40 DGAB CCc1nc2cc(NC(=O)N3CCOC[C@@H]3CC)ccc2o1 96434969 AIZDGQZOBWFWMU-LBPRGKRZSA-N 303.362 3.033 0 40 DGAB CC(C)CCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11328139 QTBHMSCNISNQDI-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB O=C1N[C@H](c2cccc(Br)c2)Nc2ccccc21 178972 XOHZKGIGICKJKC-CYBMUJFWSA-N 303.159 3.303 0 40 DGAB CCCC[C@@H](Sc1nncs1)C(=O)Nc1cc(C)on1 11676254 LPTUEVBUTPOLNT-SECBINFHSA-N 312.420 3.124 0 40 DGAB CC[C@H](C)N(C)CCNC(=O)N(Cc1ccccc1F)C1CC1 72093830 XZQOSTYXECKOTF-AWEZNQCLSA-N 321.440 3.230 0 40 DGAB COc1ccc2nc(NC(=O)CC[C@@H]3CCCO3)sc2c1 46111855 KEJQMJDNLPQNCS-JTQLQIEISA-N 306.387 3.203 0 40 DGAB CCC[C@H](C)NC(=O)COC(=O)c1cc(C)n(C(C)C)c1C 16046816 QYWFQNNSCUPOTD-LBPRGKRZSA-N 308.422 3.147 0 40 DGAB Clc1ccc(CNCCOC[C@@H]2CCCO2)c2ncccc12 89807726 MPHNTFYRTLXRBH-AWEZNQCLSA-N 320.820 3.173 0 40 DGAB COc1cccc(-n2c(SC)nnc2-c2ccccc2O)c1 1332704 KUTVXSFQQJLJQP-UHFFFAOYSA-N 313.382 3.370 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)C(=O)C2(Br)Br 345398 OFAQZCPBQBALHS-HZGVNTEJSA-N 310.029 3.498 0 40 DGAB COc1ccccc1-c1noc(Cn2cnc3ccccc32)n1 32592858 ZBHXVARCLZBCFK-UHFFFAOYSA-N 306.325 3.143 0 40 DGAB O=C(COc1ccc(Cl)cc1)N1CCc2ccccc2C1 6341707 KHDMZCYWERWBOL-UHFFFAOYSA-N 301.773 3.304 0 40 DGAB CNc1c(NC(=O)c2ccccc2C)c(=O)oc2ccccc12 6823378 RNYUBJGVOQMQOG-UHFFFAOYSA-N 308.337 3.395 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](C)N1CCc2ccccc2C1 8118313 ZISVAMNBWWKRNZ-OAHLLOKOSA-N 324.424 3.389 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)c1cn(-c2ccccc2)nn1 32816123 ICIVAJSPBTYDRA-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB COC(=O)c1ccc(CCNC(=O)c2cc3ccccc3o2)cc1 32900527 LFFNDIIUQLJCBD-UHFFFAOYSA-N 323.348 3.192 0 40 DGAB O=S(=O)(N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)ccc1Cl 100294003 NHZWBGHCVRQSOL-KBVBSXBZSA-N 320.241 3.460 0 40 DGAB CC(=O)c1c[nH]c(C(=O)O[C@H](C)C(=O)c2ccc(Cl)cc2)c1 9833805 CBLWTRPHMVLMQQ-SNVBAGLBSA-N 319.744 3.299 0 40 DGAB Cn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2cc(F)ccc21 22236247 DNUDNZPAAFGSPC-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H]2CCCC[C@H]21 103781402 WYCMLKDHJCDEJW-SMDDNHRTSA-N 315.385 3.308 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2)C1=O 101276129 GMMDCZPMSKCBHU-OAHLLOKOSA-N 324.380 3.138 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1ccc(F)cc1)CC2 3136098 JQBLXKIVCHVUMU-UHFFFAOYSA-N 315.344 3.041 0 40 DGAB O=C(O)/C(=C/c1ccc(O)cc1)Sc1nc2ccccc2[nH]1 50547766 YDVYXPFORBFAFZ-ZROIWOOFSA-N 312.350 3.486 0 40 DGAB Cc1cccc([C@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)c1 104347256 VWCFYXLJXZRZRC-MRXNPFEDSA-N 305.337 3.328 0 40 DGAB COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(C)cc1 24489456 FMUOFTMOFHAFCZ-HOTGVXAUSA-N 301.386 3.072 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 102985984 RWMYBCJSDRVINF-UOVPBQLFSA-N 323.392 3.343 0 40 DGAB O=C(c1cccc(-c2nc3ccccc3s2)c1)N1CCOCC1 59842871 ACGPBNSJLULAQG-UHFFFAOYSA-N 324.405 3.436 0 40 DGAB C[C@H](CNC(=O)CCc1ccc(Cl)s1)CN1CCCC1 55541459 SPVAUUYFIYUIBA-GFCCVEGCSA-N 314.882 3.182 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCN2CCc3ccccc32)c1 29520502 ZWIKVLLXKOFDQZ-UHFFFAOYSA-N 308.425 3.486 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)c1nccc(C(F)(F)F)n1 25493972 FTKZKMQSXCLHEL-UHFFFAOYSA-N 307.279 3.008 0 40 DGAB COc1ccccc1NC(=O)CC1(CC(=O)O)CCCCC1 3264378 QQTQLLTVKWTQAI-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB C[C@@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@@H](C)O1 3291724 AQGNCEWQJDVUOV-GHMZBOCLSA-N 322.455 3.024 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCc2ccccc2Cl)c1 20036025 ZCFQFDQPEVNGQI-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB Cc1ccc(C(=O)NCCc2nc(-c3ccc(C)cc3)no2)cc1 35673001 WCXAHLKCQKAGCU-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB O=C(NCc1ccc(Oc2ccc(F)cc2)cc1)[C@@H]1CCCO1 12625139 WTHAKVQPTFRQNV-KRWDZBQOSA-N 315.344 3.413 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCC[C@@H]1CO 58158464 XLDGSFWXHVGHDR-OAHLLOKOSA-N 318.461 3.329 0 40 DGAB CCc1nnsc1C(=O)N(C)Cc1ccc([C@H]2C[C@H]2C)o1 44889486 FDUSCMFRKAEFFL-KOLCDFICSA-N 305.403 3.089 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)/C=C/c1cnn(C)c1 44873451 KVBSFRPFCGRDOX-ISZGNANSSA-N 301.415 3.031 0 40 DGAB CCN(CC)CCn1cc(NC(=O)c2ccc(C)c(C)c2)cn1 58216392 CQVNCYCAIRVZSH-UHFFFAOYSA-N 314.433 3.094 0 40 DGAB COc1cccc(-c2nnc3sc(Cc4ccccc4)nn23)c1 10311676 WTQWUKIBNROZOC-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB CCCCOc1ccccc1C(=O)NCCCCCC(=O)O 2271923 XFLVAVYPUPKAQG-UHFFFAOYSA-N 307.390 3.240 0 40 DGAB Cc1ccccc1CN1C(=O)[C@@H](C)N(c2ccc(F)cc2)C1=O 10685005 RCCOXXQUEHDXCQ-CYBMUJFWSA-N 312.344 3.491 0 40 DGAB O=C(C[C@H]1C=CCC1)NCc1ccc(OC[C@@H]2CCCO2)cc1 36394569 QBGMZNFXTRGRGB-YJBOKZPZSA-N 315.413 3.217 0 40 DGAB C[C@H]1CCCCN1CCNC(=O)C1(c2ccc(Cl)cc2)CC1 58953624 QGMLCYNXXQRGPR-AWEZNQCLSA-N 320.864 3.362 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)NCc1nc(C)cs1 48333658 IRZADTUKVUOIGZ-LBPRGKRZSA-N 319.430 3.329 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)c1cc(Cl)c[nH]1 48300072 YJDIKSSHPBBBTG-UHFFFAOYSA-N 306.749 3.059 0 40 DGAB Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 69162798 DECHGQUWZHQZNF-INIZCTEOSA-N 318.417 3.305 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1cc(F)ccc1F 3474966 DJBISILLOOBIGE-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCc2nc3ccccc3s2)c1 8258553 ZIHGOAIDSDUKIA-UHFFFAOYSA-N 300.339 3.184 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(F)cc1 3510806 HYQAPGLBSUCXMN-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1ccc2cc(COC(=O)c3ccccc3F)c(=O)[nH]c2c1 8572887 FECWBFDBQDWEOH-UHFFFAOYSA-N 311.312 3.333 0 40 DGAB O=C(CCCc1cccs1)N1CCC[C@@H](n2ccnc2)C1 69701494 DOTVPRBLCDOMLP-CQSZACIVSA-N 303.431 3.131 0 40 DGAB Nc1ccc(Nc2ncc3cnn(C4CCCCCC4)c3n2)cn1 82048758 VMHSLUNMBSVUFN-UHFFFAOYSA-N 323.404 3.442 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cc(-n3ccnc3C)ccn2)c1 65575702 ALGMKFRYSKBBKD-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB C[C@H](OC(=O)c1cc(Br)c[nH]1)C(=O)c1ccccc1 14197272 WWWPSCIXXQIRQY-VIFPVBQESA-N 322.158 3.205 0 40 DGAB Cc1cc2nc(COc3ccc(C(C)(C)C)cc3)cc(=O)n2o1 20332314 MVDRGNQAKKNEJS-UHFFFAOYSA-N 312.369 3.472 0 40 DGAB O=C(C[S@@](=O)C/C=C/c1ccccc1)Nc1cccc(F)c1 66294380 OIAZXOBMXDWJHF-QNBZTBGESA-N 317.385 3.226 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2ncccc2C)c1 8747113 CQQNORUXFWVTLK-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc(Cn2cccn2)o1 27981503 IRUZEPDFCAHRBO-QGZVFWFLSA-N 321.380 3.332 0 40 DGAB C[C@@H]1CN(C(=S)Nc2ccc(F)c(Cl)c2)C[C@@H](C)O1 7557691 QWRPRSRMUSGVGU-RKDXNWHRSA-N 302.802 3.285 0 40 DGAB O=C(CSc1ncnc2nc[nH]c12)c1cc2ccccc2o1 9146235 MTBGERZZFNEEMB-UHFFFAOYSA-N 310.338 3.074 0 40 DGAB CCc1nnc([C@@H](C)S(=O)(=O)[C@H]2CCCc3ccccc32)o1 75610545 DPGZYACZBHJASX-RISCZKNCSA-N 320.414 3.185 0 40 DGAB O=C(Nc1ccccn1)c1cc2c(nc3sccn32)s1 9367257 KOYHOPOKAQWSAF-UHFFFAOYSA-N 300.368 3.258 0 40 DGAB Cc1cc(C(=O)Nc2sc(C)c(C)c2C(N)=O)c(C)s1 71795846 YJNNMGXDLGHBNN-UHFFFAOYSA-N 308.428 3.394 0 40 DGAB Cc1nc(-c2ccccc2)sc1NC(=O)N1CCC[C@@H]1CO 96502478 QTWUIHQGLOOZAH-CYBMUJFWSA-N 317.414 3.107 0 40 DGAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)N2CCCC2)c1 71909533 DSXSHVAASWPEAK-NRFANRHFSA-N 308.447 3.362 0 40 DGAB Cc1ccsc1[C@H](C)NCCc1ccc(S(C)(=O)=O)cc1 97017129 IXVGHPZUYPKFKB-ZDUSSCGKSA-N 323.483 3.353 0 40 DGAB CN(C)[C@@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1 95408671 NLWDQRAMJGTJLP-ZDUSSCGKSA-N 310.323 3.210 0 40 DGAB Cc1nc(C)c(C(=O)N2CC=C(c3cccc(F)c3)CC2)o1 95409206 HMTIFERVPRPAKG-UHFFFAOYSA-N 300.333 3.360 0 40 DGAB Cc1nnc(SC[C@H](O)c2cccc(Cl)c2)n1C1CC1 78938595 YSKFGHOEGJINKY-ZDUSSCGKSA-N 309.822 3.401 0 40 DGAB Cc1nc([C@H](C)NC(=O)CCc2ccsc2)sc1C(=O)O 95997241 QCXXZUKWGSCHOK-VIFPVBQESA-N 324.427 3.021 0 40 DGAB Cc1ccc(C)c(OC2CCN([C@@H]3CCCC[C@@H]3O)CC2)c1 95975614 BZUJULODEPSJMM-MSOLQXFVSA-N 303.446 3.450 0 40 DGAB Cc1nc(CNc2nccc(OCc3ccccc3)n2)oc1C 89591261 LSPAESUPEAXYIN-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB COc1ccc(OC)c(C(=O)N2CCC[C@H]2c2cccn2C)c1 75139029 HHYXXQYNUSFQBH-INIZCTEOSA-N 314.385 3.020 0 40 DGAB Nc1ccc(Nc2cccc(Br)c2)c(C(=O)O)c1 37930516 WNNPKHYBPAPKEH-UHFFFAOYSA-N 307.147 3.473 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)c(C)n1 189720672 DQROBIMQYHWRHP-QZTJIDSGSA-N 324.428 3.265 0 40 DGAB Cc1nc(-c2nn3c(-c4ccc(F)c(F)c4)nnc3s2)co1 71285456 RAPGWCGEKRCICL-UHFFFAOYSA-N 319.296 3.094 0 40 DGAB Cc1occc1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 81259048 WOGBCZBLRCAZEN-OAHLLOKOSA-N 307.353 3.229 0 40 DGAB COc1ccccc1CNC(=O)c1cc2cccc(C)c2oc1=O 226035535 TTYZGVYWNYEXPZ-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC(C)C 225719010 YMOQTAFLKIOLSF-MRXNPFEDSA-N 304.434 3.119 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccsc1)N1CCC[C@H](OC(F)F)C1 529000921 UAKDYZZJQTWOEA-SDDRHHMPSA-N 301.358 3.082 0 40 DGAB CC(C)C[C@@H](C)OCCC(=O)Nc1cccc(-n2cnnc2)c1 87098455 ZSQHOAMQKVBOCD-CQSZACIVSA-N 316.405 3.047 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1C 225068906 QIKIKYFDIHCOCJ-UHFFFAOYSA-N 312.394 3.469 0 40 DGAB CO[C@H](C)c1nc(C)c(C(=O)N(C)c2ncccc2C)s1 330978058 MRMFGHNRGUPLBS-LLVKDONJSA-N 305.403 3.139 0 40 DGAB CO[C@@H]1CCN(C(=O)c2cccnc2)C[C@@H]1Cc1cccc(C)c1 96110206 WETPJGLQOOIUAA-RBUKOAKNSA-N 324.424 3.110 0 40 DGAB CN(CCc1cccs1)C(=O)N[C@@H]1COc2ccccc21 96439606 WCKCRRQPTUQYPM-CQSZACIVSA-N 302.399 3.066 0 40 DGAB Cc1cnc([C@H](NC(=O)N2C[C@H]3CCC[C@H]3C2)C2CC2)s1 96462408 YQXWVECDFMICPP-HZSPNIEDSA-N 305.447 3.344 0 40 DGAB Cc1cccc(C[S@](=O)Cc2cc(F)cc3c2OCOC3)c1 96404535 NBVRLXBRCNNLHK-JOCHJYFZSA-N 320.385 3.450 0 40 DGAB CC(C)=CC(=O)N(C)C1CCC(NC(=O)OC(C)(C)C)CC1 96454633 AJRQKKOESKWQEF-UHFFFAOYSA-N 310.438 3.247 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2c(C)noc2C)C1 95411206 ZWPNMBNDVAKAHQ-OLZOCXBDSA-N 311.451 3.107 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 253476819 BMXJAVIZWRDJMQ-XOUADPBQSA-N 311.381 3.155 0 40 DGAB CC(C)[C@H](C)NC(=O)C1CCN(CCSC(C)(C)C)CC1 252508226 XHJCPZZQKOINJR-AWEZNQCLSA-N 314.539 3.391 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257266504 MDGXYTRXXPOOIO-QGZVFWFLSA-N 309.413 3.374 0 40 DGAB C[C@H]1c2c(F)cccc2CCN1C(=O)c1ocnc1C1CC1 585083652 WMJJKAHZCZAUDB-JTQLQIEISA-N 300.333 3.451 0 40 DGAB Cc1ccnc([C@]2(C)CCCN2C(=O)Cc2cccc(F)c2)n1 257331713 XTYJVEORGTWPDA-SFHVURJKSA-N 313.376 3.004 0 40 DGAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@H]2CCCCN2C)n1 257287725 PRGKTKUYOAEABL-MRXNPFEDSA-N 311.385 3.307 0 40 DGAB CC(=O)N1CCC2(CC1)CO[C@@H](Cc1ccc(Cl)cc1)C2 257291080 QFNWCAXXHNKYRX-INIZCTEOSA-N 307.821 3.300 0 40 DGAB Nc1ncnc(N2CCC[C@@H]2Cc2ccc(F)cc2)c1Cl 582368003 QRKMKOZASOIHFX-GFCCVEGCSA-N 306.772 3.063 0 40 DGAB Cc1cc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)c(C)o1 44099048 MQXHUWMPGOBWNN-UHFFFAOYSA-N 315.373 3.177 0 40 DGAB Cc1ncsc1CN1CCC[C@H](O)[C@@H]1Cc1ccc(F)cc1 1615192495 VCVMYLMATMGHFL-HOTGVXAUSA-N 320.433 3.159 0 40 DGAB S=C(Nc1ccc(Br)cn1)NC1CCCCC1 13838063 ZNFRQSRFMFQTAK-UHFFFAOYSA-N 314.252 3.463 0 40 DGAB COC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccco2)cc1 15837973 GKMGCQSEEQFCDI-AWEZNQCLSA-N 314.341 3.435 0 40 DGAB Nc1cc2cc(F)ccc2nc1C1CCN(C(=O)C2CC2)CC1 12231046 MVKNJVCZLYOSNB-UHFFFAOYSA-N 313.376 3.072 0 40 DGAB CC(C)c1cccc(N2C[C@H](C(=O)Nc3ccncc3)CC2=O)c1 23021145 WUFMATKQZMFRHR-OAHLLOKOSA-N 323.396 3.197 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1cn(-c2ccccc2)nn1 31875028 SDRDRYGHKYOYRQ-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CCCN(Cc2ccccc2)C1 38832534 PSJULGPJSWSTAZ-QGZVFWFLSA-N 300.446 3.348 0 40 DGAB CC(C)c1ccc(CC(=O)N2CC(=O)Nc3ccccc32)cc1 12234876 YIFYVEXMVCYYOU-UHFFFAOYSA-N 308.381 3.338 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)c3cccc(Cl)c3)ccc21 16916516 KFRRMQMXQWZNFT-UHFFFAOYSA-N 300.745 3.111 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(C)c(C)c3)ccc21 17288879 FVWXMNNWTXQCAF-UHFFFAOYSA-N 308.381 3.465 0 40 DGAB C[C@](O)(CNC(=O)c1cccc(Cl)c1)Cc1ccsc1 618256773 LSHZWXARDNFKEF-OAHLLOKOSA-N 309.818 3.125 0 40 DGAB Cc1ccc(N2C[C@H](c3noc(-c4ccco4)n3)CC2=O)cc1 107218686 HKJGVZFSHDGTDA-GFCCVEGCSA-N 309.325 3.159 0 40 DGAB CCc1nnc(NC(=O)CCOc2ccc(Cl)cc2)s1 40128764 NQSVZJRHCQHCHT-UHFFFAOYSA-N 311.794 3.162 0 40 DGAB CC(C)COc1ccc([C@@H]2SCC(=O)Nc3n[nH]cc32)cc1 20715763 JJBXUCJESBTSEW-HNNXBMFYSA-N 317.414 3.219 0 40 DGAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1N 6347831 GVAOGCDSSKHXII-UHFFFAOYSA-N 312.369 3.188 0 40 DGAB Fc1ccc(CNC(=S)Nc2ccc3c(c2)OCO3)cc1 7350558 FXWCPBKZZBLSBU-UHFFFAOYSA-N 304.346 3.041 0 40 DGAB CCCc1noc(CCC(=O)Nc2ccc(F)c(F)c2F)n1 32905817 RMZQOXPSDIJETG-UHFFFAOYSA-N 313.279 3.011 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 532335 XGPJHWMCXSDYAT-HZPDHXFCSA-N 305.385 3.315 0 40 DGAB CCc1cccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1 10897796 GJKPBACIGVXJEN-VAWYXSNFSA-N 309.365 3.444 0 40 DGAB Fc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 525449 LOELYNUAHHBNRX-UHFFFAOYSA-N 310.357 3.442 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N(C)CCCCc2ccccc2)on1 53082570 AGXVDZHWVSRNRJ-HNNXBMFYSA-N 315.417 3.265 0 40 DGAB CCOC(=O)[C@H](CN)[C@]1(N(CC)CC)C[C@@H]2CC[C@]1(C)C2(C)C 103635808 OCKDPBVSIVVMTJ-ILRDRHFLSA-N 324.509 3.051 0 40 DGAB C[C@H](COc1ccc(F)cc1F)NC(=O)NC1CCCCC1 55088127 UVVRCWOVEUWWPM-LLVKDONJSA-N 312.360 3.364 0 40 DGAB CSc1nc2nccc(-c3ccc(Br)cc3)n2n1 1395674 RKKZUHZZSMNFGU-UHFFFAOYSA-N 321.203 3.276 0 40 DGAB O[C@@H](CCNc1ccc(OC(F)(F)F)cc1)C(F)(F)F 1390089 UBMJETPQCSGPTM-VIFPVBQESA-N 303.202 3.310 0 40 DGAB Fc1ccc(CN2CCC[C@@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 107731384 XFUMQKSJHUFULB-QZTJIDSGSA-N 315.392 3.018 0 40 DGAB COc1ccc(NC(=O)c2ccc(Br)cc2)cc1N 20343304 SQQWCBGQSWJQKC-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CCOc1ccc(N2CCCN=C2NC(=O)c2ccccc2)cc1 28527054 NOMKEXBYMAVFDB-UHFFFAOYSA-N 323.396 3.081 0 40 DGAB CC(C)C(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577282 CLTMUMUFKQFTPE-UHFFFAOYSA-N 323.437 3.285 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)no1 58014194 IWVYEAUSUFEPEE-NSHDSACASA-N 311.345 3.256 0 40 DGAB Cc1cc(C)n(-c2ccc(SCc3nc(C)c(C)o3)nn2)n1 58158524 QFRNWTUPEWQWRE-UHFFFAOYSA-N 315.402 3.176 0 40 DGAB CN1CCN(C(=O)NC2CCCCC2)[C@@H](c2ccccc2)C1 58120561 NBSLVPIOBHKZJX-QGZVFWFLSA-N 301.434 3.017 0 40 DGAB Cc1ccccc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58291939 WFEWPVSBZVRYEM-HNNXBMFYSA-N 323.314 3.477 0 40 DGAB COc1ccc(Cl)cc1NCCC(=O)NCc1ccoc1 58295595 BDIAZKXWMFNNQG-UHFFFAOYSA-N 308.765 3.060 0 40 DGAB Cc1cc(NC(=O)NCCc2coc(-c3ccccc3)n2)no1 58305076 MYGBPEKDBOIBLJ-UHFFFAOYSA-N 312.329 3.002 0 40 DGAB C[C@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 2492930 MLSHBEREGCKTBW-BJOHPYRUSA-N 314.410 3.433 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)o1 62278070 NJTTYOMOWAJCNN-VIFPVBQESA-N 318.377 3.125 0 40 DGAB O=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 12911222 CEDVJZKFBUFHMJ-UHFFFAOYSA-N 320.295 3.058 0 40 DGAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc(Cl)cc2)no1 12908980 BMQATDMJTJNCQY-AWEZNQCLSA-N 319.792 3.412 0 40 DGAB CCCCn1c(S(=O)(=O)Cc2ccccc2)nc(C)c1C 63870560 YFVNEOSQPPIYMU-UHFFFAOYSA-N 306.431 3.274 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C 13638084 WUCZPGWFIZXWHC-UHFFFAOYSA-N 312.398 3.282 0 40 DGAB Cc1cccc(OCc2nnc3sc(-c4ccncc4)nn23)c1 5032338 IDNSBWGMLMZOCO-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2ccccn2)c(C)c1 5060465 QMTAFLSRYDIQED-AWEZNQCLSA-N 312.369 3.191 0 40 DGAB O=C(OCc1coc(-c2cccs2)n1)c1cccc(O)c1 5076647 BFNBQDPMMQCOHA-UHFFFAOYSA-N 301.323 3.466 0 40 DGAB CC[C@@H](NC(=O)COc1ccccc1F)c1nc(C)cs1 69809810 QGVVIKZUFOLDIC-GFCCVEGCSA-N 308.378 3.237 0 40 DGAB O=C(c1cscn1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 65487522 QGDYCSKFPUTFRY-AWEZNQCLSA-N 320.389 3.104 0 40 DGAB C/C=C/C=C/C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 65586954 GNGVIXBHIMAUCU-XXZAKMSKSA-N 301.321 3.185 0 40 DGAB C[C@H]1c2ccsc2CCN1S(=O)(=O)Cc1ccccc1 8777103 OOQAZKOGLYKMKI-LBPRGKRZSA-N 307.440 3.197 0 40 DGAB O=C(CSc1nnc(-c2ccncc2)o1)c1ccc(F)cc1 4740824 BJYFGUHINGSEOW-UHFFFAOYSA-N 315.329 3.246 0 40 DGAB O=C1CN(C(=O)CCc2c[nH]c3ccccc23)c2ccccc2N1 6890557 NAZQCFZWXQDQCH-UHFFFAOYSA-N 319.364 3.086 0 40 DGAB COC(=O)[C@H](N[C@@H](C)c1ccc(Cl)s1)c1cccnc1 92856967 QHZHQFKDEJFDIA-TVQRCGJNSA-N 310.806 3.361 0 40 DGAB Cc1csc(SCC(=O)Nc2cc(C(C)(C)C)no2)n1 7978760 FGFRYEALIDKTFX-UHFFFAOYSA-N 311.432 3.468 0 40 DGAB Cc1n[nH]cc1CN1CCO[C@@H](c2ccc(F)c(Cl)c2)C1 92972948 OWMHMWRUHZNAJI-OAHLLOKOSA-N 309.772 3.084 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 9306784 CAWSWHYDMPHTKG-JTQLQIEISA-N 304.321 3.099 0 40 DGAB CC[C@@H]1CN(C(=O)NCc2csc(C3CC3)n2)CCS1 96440149 YXYDYMQCGFCSPH-GFCCVEGCSA-N 311.476 3.058 0 40 DGAB Cc1ccc(NC(=O)COCC2CC2)cc1NC(=O)C(C)(C)C 71894329 XZBSNRMQWCKKOW-UHFFFAOYSA-N 318.417 3.345 0 40 DGAB CCc1nc(CCNC(=O)N2Cc3ccccc3C2)sc1C 71879858 BNLCQHVSMILXPC-UHFFFAOYSA-N 315.442 3.282 0 40 DGAB O=C(Cc1cccc2ccccc12)Nn1c(C2CC2)n[nH]c1=S 9647405 NQAMFUQBQHCARF-UHFFFAOYSA-N 324.409 3.284 0 40 DGAB C[C@H](NC(=O)N1CCC[C@H](CO)C1)c1csc2ccccc12 72268290 BSIYONKBSOOKPE-STQMWFEESA-N 318.442 3.376 0 40 DGAB COc1ccc(-c2nc(CCNCc3cccnc3)co2)cc1 72274449 GEJNKCRLHBERPJ-UHFFFAOYSA-N 309.369 3.078 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)C[C@H](C)c1c(C)n[nH]c1C 97022747 QUYYHOCTRYKSTL-NWDGAFQWSA-N 315.417 3.406 0 40 DGAB O=C(Nc1cnccn1)c1ccc(C(F)(F)F)cc1Cl 97146403 GWGWRZUBUVTGDC-UHFFFAOYSA-N 301.655 3.401 0 40 DGAB C[C@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1c1nccs1 95351844 ZBZQQGOEOWIGFN-LBPRGKRZSA-N 320.462 3.139 0 40 DGAB CCNc1nc(C)c(C(=O)NCc2csc(C(C)C)n2)s1 84791138 WQXBXFRSUQHFCE-UHFFFAOYSA-N 324.475 3.393 0 40 DGAB CC[C@H](CCNCc1cnc(C2CCC2)s1)N1CCCC1=O 95415463 DYIPFZFWCTVHDJ-CQSZACIVSA-N 321.490 3.291 0 40 DGAB C[C@@H](CO)CN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 95452688 ZMUPPKNGCDTRRX-GFCCVEGCSA-N 317.260 3.134 0 40 DGAB COc1ccc([C@H](O)[C@H](C)Nc2ncnc3cccc(C)c23)cc1 95975973 ROKYXDOQJNMMHS-SCLBCKFNSA-N 323.396 3.481 0 40 DGAB O=C(NCC1(CO)CCCCC1)[C@H]1C[C@@H]1c1c(F)cccc1F 95966762 CLFIVTNAXIQFGS-STQMWFEESA-N 323.383 3.127 0 40 DGAB Nc1ccc(NC(=O)c2ccccc2F)c(Br)c1 36738581 UYYBGYAJYUVUFM-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB c1cncc(-c2cnc3n2CC2(CC3)CCN(CC3CC3)CC2)c1 306138924 SKWHIKPBEBRMTG-UHFFFAOYSA-N 322.456 3.384 0 40 DGAB c1ccc([C@@H]2CN(Cc3cccnc3)C[C@H]2c2cc[nH]n2)cc1 72395176 UWCMGBQZSPGOKM-ZWKOTPCHSA-N 304.397 3.188 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc(=O)[nH]c1 72212278 ADOJTHKBKFFDCX-MRXNPFEDSA-N 312.369 3.239 0 40 DGAB O=C(NCc1ccc(Cl)cc1)[C@@H]1CC(c2ccccc2)=NO1 33145125 ZNRXAOWTIIUCEW-INIZCTEOSA-N 314.772 3.149 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 75542638 YQNWVWVDGAMRSP-SJORKVTESA-N 311.385 3.202 0 40 DGAB CCc1cnc(CCNC(=O)c2ccc(C)nc2C2CC2)s1 562623515 VFQYZZJMDSBKHQ-UHFFFAOYSA-N 315.442 3.259 0 40 DGAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1cccc(Cl)c1 42645711 SAIJHEAFFIIMST-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB CC1(C)C[C@@H](NCc2ccc(N3CCOC3=O)cc2)C(C)(C)O1 183743244 MQIFTLNKXIIAFZ-OAHLLOKOSA-N 318.417 3.079 0 40 DGAB COc1cc2c(cc1F)CN(CCc1cccc(C)n1)CC2 565713712 NBILHGXJRFJXIS-UHFFFAOYSA-N 300.377 3.139 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 44950187 OSDCUKDKSBLHKL-IAGOWNOFSA-N 316.489 3.330 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)c2ccc(-n3cccn3)nc2)cc1 45175413 DIMATMFHIZLWDO-CQSZACIVSA-N 306.369 3.067 0 40 DGAB CCN1C[C@H](C(=O)Nc2ccccc2Oc2ccccc2)CC1=O 46124395 LJQHUXUCCJKSRE-CQSZACIVSA-N 324.380 3.286 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc3c(ccn3C)c2)c1 49551307 AEPDBJNAPMWDTG-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 42645832 KBHIAJMUMDUUDQ-ZANVPECISA-N 312.772 3.113 0 40 DGAB COc1ccc([C@H](CC(=O)OC(C)C)NC(=O)CC(C)C)cc1 40009874 MAOQDTHNKHOLDB-INIZCTEOSA-N 321.417 3.240 0 40 DGAB Cc1cccc(OCC(=O)N2C[C@@H](C)Oc3ccccc32)c1C 41155767 QGCUMIJVAZZTQU-CQSZACIVSA-N 311.381 3.496 0 40 DGAB Fc1cc(OCCC2OCCCO2)ccc1Br 89064051 LOLXXNPCMUNHCT-UHFFFAOYSA-N 305.143 3.120 0 40 DGAB C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cnnc2ccccc12 529220301 CAFOGSQXWPXILS-CABZTGNLSA-N 309.291 3.043 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 82182398 QMQGMWPJTZZKGJ-IXDOHACOSA-N 316.445 3.422 0 40 DGAB Cc1ncc(CS(=O)(=O)c2cc(C)c3ccccc3n2)s1 195072614 YAYROWCEHKPIOU-UHFFFAOYSA-N 318.423 3.282 0 40 DGAB CC[C@H]([C@H](N)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96524973 XEEZPNJADUHREE-VXGBXAGGSA-N 310.246 3.207 0 40 DGAB c1cc(CN2CCC[C@@]23CCCN(Cc2ccoc2)C3)ccn1 96214915 BKWKSEVTCGYGBF-LJQANCHMSA-N 311.429 3.305 0 40 DGAB COc1cccc(OC)c1OCc1csc(N(C)C2CC2)n1 96475515 USYDVTXWNOCMES-UHFFFAOYSA-N 320.414 3.338 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccccc2F)=NO1 96192662 MQWRDKBMYGSQGP-SJCJKPOMSA-N 304.365 3.110 0 40 DGAB Cc1cccc(Nc2cc(C(=O)N3CCCCC3)nc(C)n2)c1 96182774 TYUBRSNWIAJZSJ-UHFFFAOYSA-N 310.401 3.463 0 40 DGAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccccc1Br 95095930 ZBYLJENHRNKREN-OIBJUYFYSA-N 311.097 3.468 0 40 DGAB CO[C@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079142 IXRWEXJWBDKBLW-KRWDZBQOSA-N 310.397 3.280 0 40 DGAB CC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)CC1 252486796 NHBNGSRXBDPAAA-ZSXDVEMLSA-N 304.478 3.049 0 40 DGAB CSC[C@@H](C)C(=O)N[C@@H](C)c1nc2ccc(Cl)cc2[nH]1 584906839 SWKCPPMECYFXSE-BDAKNGLRSA-N 311.838 3.393 0 40 DGAB Cc1cncc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257333377 YBICDJDZNIQSBX-IBGZPJMESA-N 321.424 3.180 0 40 DGAB C[C@@H](Sc1cccc(O)c1)C(=O)NCCc1cccs1 252492198 MFKUGLNVKJCAOQ-LLVKDONJSA-N 307.440 3.293 0 40 DGAB CC(=O)NCc1cccc([C@H]2CCCN2CCc2ccccc2)n1 257258939 KWEGSWXOLJTTNQ-HXUWFJFHSA-N 323.440 3.097 0 40 DGAB Cc1cc(S(=O)(=O)Nc2nccc(C3CC3)n2)ccc1Cl 530157876 WSHCKEWUQUAVSV-UHFFFAOYSA-N 323.805 3.117 0 40 DGAB Cc1ccccc1OC[C@@H](O)CN1CCc2sccc2[C@@H]1C 52816635 JBMRHORQILGVDY-GJZGRUSLSA-N 317.454 3.416 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)Cc1nc2ccsc2c(=O)[nH]1 53847402 KVWGGVFBFFZKPJ-UHFFFAOYSA-N 323.377 3.200 0 40 DGAB O=C(CCc1ccc(-c2ccccc2)[nH]1)NCc1ccccn1 55114861 OSXJXIATWKFMNG-UHFFFAOYSA-N 305.381 3.326 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1cc(-c2ccco2)on1 58378473 PSRFDJMIOJRIDW-UHFFFAOYSA-N 322.324 3.083 0 40 DGAB Cc1ccc([C@H]2CCCN2C(=O)C(=O)Nc2cccnc2)cc1C 68332741 OWDVFZMIYYFAAG-QGZVFWFLSA-N 323.396 3.001 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc2oc(=O)ccc2c1 68598013 JXZARZAIYDFYJY-VXGBXAGGSA-N 315.373 3.092 0 40 DGAB Cc1cc(F)ccc1CNC1CCN(Cc2ccccn2)CC1 71792533 UJUBLBZGLZBTFN-UHFFFAOYSA-N 313.420 3.283 0 40 DGAB CCOC(=O)c1cnc(Nc2ccccc2)nc1C(F)(F)F 116011 UTBAWGADJXNEHN-UHFFFAOYSA-N 311.263 3.416 0 40 DGAB COC(=O)c1cc(-c2cc(Br)ccc2F)on1 83166508 JBPIRJDBIPZUPS-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB COC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2)c1 5879584 JNAPSOSREWXIIB-UHFFFAOYSA-N 304.346 3.421 0 40 DGAB CCCCc1cc(=O)oc2cc(C)cc(O[C@H](C)C(=O)OC)c12 11766067 JPEQMVJYSHIEPJ-GFCCVEGCSA-N 318.369 3.384 0 40 DGAB Cc1csc(NC(=O)c2nc(-n3cccc3)sc2C)n1 11866100 HGSJRYAUGSTXME-UHFFFAOYSA-N 304.400 3.259 0 40 DGAB Cc1ccc2[nH]cc(NC(=O)N[C@@H](C)c3ccncc3)c(=O)c2c1 13565943 AFLZEXFXYWQUHD-LBPRGKRZSA-N 322.368 3.114 0 40 DGAB COc1ccccc1NS(=O)(=O)Cc1ccc(Cl)cc1 14291452 DLJODSDNXDYQTP-UHFFFAOYSA-N 311.790 3.291 0 40 DGAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@@H](c2ccccc2)C1 15785509 QEDFNBLRTGKHIK-MRXNPFEDSA-N 318.380 3.101 0 40 DGAB Cc1cccc2sc(N3CCN(C(=O)C(C)(C)C)CC3)nc12 5181484 KKKDPZUIWLRCBK-UHFFFAOYSA-N 317.458 3.299 0 40 DGAB O=C(NC1CC1)[C@]1(Cc2cccc(-c3ccccc3)c2)CCCN1 953083724 VHTWTMNLNYARQF-OAQYLSRUSA-N 320.436 3.297 0 40 DGAB CC(C)c1nccn1CC1CN(c2ccc(C(C)(C)C)nn2)C1 2087122348 WCCKOCUDAKMNJW-UHFFFAOYSA-N 313.449 3.230 0 40 DGAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)c1 5373648 AQKBGFFFTDSBHH-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@H](Oc2ccncc2)C1 575614250 XRWWFXQNFXRSNV-INIZCTEOSA-N 321.380 3.247 0 40 DGAB CCCCCNC(=O)N(C)C[C@H]1CN(CC)c2ccccc2O1 40051414 VJXRYPGTEQSVIC-HNNXBMFYSA-N 319.449 3.106 0 40 DGAB O=C1C[C@H](C(=O)N2CCCCc3ccccc32)c2ccccc2N1 40133956 DFPGAVJEIZMCSS-INIZCTEOSA-N 320.392 3.482 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2cccc(F)c2)[nH]c2c1C(=O)CCC2 40162011 VXLDEVUMHQGGBJ-NSHDSACASA-N 314.360 3.472 0 40 DGAB CC(=O)c1ccccc1NC(=O)Cc1ccc(-n2cccn2)cc1 40128894 UCZIDSYIIVAOEY-UHFFFAOYSA-N 319.364 3.256 0 40 DGAB Cc1ccc(-n2nnc(C(=O)NC3CCCC3)c2C)cc1Cl 51317767 VAWCTADTMLVVQG-UHFFFAOYSA-N 318.808 3.210 0 40 DGAB O=C(O)CCNc1ncnc2scc(-c3ccc(F)cc3)c12 149261 XPJCHBMSIZOYLZ-UHFFFAOYSA-N 317.345 3.384 0 40 DGAB COc1cc(C(=O)NC2CCCCCC2)cc(OC)c1OC 168767 ATZIPAOWQHWWBC-UHFFFAOYSA-N 307.390 3.165 0 40 DGAB Cc1ccsc1C(=O)N1CCC[C@H]1c1nnc2ccccn12 29074155 OVCQYINQFBFTGM-LBPRGKRZSA-N 312.398 3.077 0 40 DGAB O=C(NCCN1CCCCC1)C1(c2ccccc2)CCCC1 2512703 ZWOWBKQTRCPDDE-UHFFFAOYSA-N 300.446 3.101 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)Cc2ccccc2F)c1 2628898 RTAOKRPEHDQPEA-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB COc1ccc([C@@H]2N(c3ccc(OC)cc3)C(=O)C2(F)F)cc1 350834 WUORUMVRJXKPAN-HNNXBMFYSA-N 319.307 3.427 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3O2)cc(Cl)c1OC 4997995 LCIFTEQZBNNLAY-MRXNPFEDSA-N 319.744 3.178 0 40 DGAB Cc1ccc(C)c(-c2ccc(OC(=O)c3cccnc3)nn2)c1 10127758 QFONXMRIMGMJOI-UHFFFAOYSA-N 305.337 3.375 0 40 DGAB COc1ccc2oc(C(=O)Nc3cccc(C(=O)O)c3)cc2c1 8166262 PDDCDYGJZAQCQS-UHFFFAOYSA-N 311.293 3.392 0 40 DGAB O=c1cnc2ccccc2n1Cc1ccccc1C(F)(F)F 8316430 XCNJDOCODWUFIG-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)NCc2cccs2)cc1 2660148 VQVWXRGVOCINAC-UHFFFAOYSA-N 320.439 3.115 0 40 DGAB COC(=O)[C@H](C)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 489388 WSKITRCJXGSZJN-LBPRGKRZSA-N 324.332 3.400 0 40 DGAB biogenic CCOC(=O)c1ccc(NC(=O)c2cccc(C)c2OC)cc1 9141681 SPWDJIGGCAVWLS-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CCN(CC)[C@@H](CNC(=O)CC(F)(F)F)c1ccsc1 46945916 LYVZNUYFRXUUKL-NSHDSACASA-N 308.369 3.200 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(C)=O)c2)C1 110646124 SBBRGULNOQNWHQ-HZPDHXFCSA-N 320.458 3.044 0 40 DGAB O=C(Cc1cccs1)Nc1ncc(Br)s1 17030882 KKJOQZKEKOSPFP-UHFFFAOYSA-N 303.206 3.148 0 40 DGAB Cc1noc(C)c1CCNC(=O)COc1ccc2ccccc2c1 107175868 KBBYLFMTIYIKKA-UHFFFAOYSA-N 324.380 3.182 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)Cc1ccco1 107498682 OZAVVJPJLIIKPP-BPQIPLTHSA-N 311.381 3.376 0 40 DGAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1 101276495 ZYMINGBVEWJNDH-INIZCTEOSA-N 312.344 3.187 0 40 DGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CC(C)(C)C)cc1 58141477 IBJGTKPHCXEHND-OAHLLOKOSA-N 318.417 3.061 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1N1CCCC1)c1cc[nH]n1 47989807 SAVFJYOUWJCYJW-UHFFFAOYSA-N 324.306 3.281 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)Sc2cccc[n+]2[O-])cc1 3221998 LFZARZUIUZRNCA-LBPRGKRZSA-N 302.399 3.002 0 40 DGAB Cc1cccc(OCCNC(=O)CNc2ccc(C)cc2F)c1 24040440 GYQNGFKNYMEXGG-UHFFFAOYSA-N 316.376 3.050 0 40 DGAB CCC[C@@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O 2376198 VZPCZPLEBCUDCK-LBPRGKRZSA-N 321.373 3.083 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCN1C[C@H](C)O[C@H](C)C1 12648415 VOIHNUNUMKRMPP-IYBDPMFKSA-N 304.434 3.131 0 40 DGAB CCc1ccc([C@H](C)NC(=O)CN(C)Cc2ccco2)cc1 12867286 MWMJVNYQJMHRTC-AWEZNQCLSA-N 300.402 3.151 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)[C@@H]1CCCc2ccccc21 12822318 RXDCPSSWDXCALN-MRXNPFEDSA-N 309.365 3.152 0 40 DGAB CCOC(=O)Nc1cccc(NC(=O)CC(F)(F)F)c1C 69742307 PYWBLSKDJQTZFM-UHFFFAOYSA-N 304.268 3.454 0 40 DGAB CCc1ccc(CN(C)[C@H](C)C(=O)NCc2ccccc2)cc1 3453944 HEUVAIYAUWFMBK-MRXNPFEDSA-N 310.441 3.386 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@H](C)C1 3564548 WUKXYIILGZUMCM-NSHDSACASA-N 310.825 3.327 0 40 DGAB COC(=O)[C@@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccc(C)cc1 12954411 PAGXKYMJVPYEDR-QZTJIDSGSA-N 323.392 3.103 0 40 DGAB CC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)nc1 4107620 MGHGFCPNVNYFIE-LBPRGKRZSA-N 315.760 3.113 0 40 DGAB C[C@H]1CN(C(=S)Nc2ccc(F)c(Cl)c2)C[C@@H](C)O1 13828262 QWRPRSRMUSGVGU-DTORHVGOSA-N 302.802 3.285 0 40 DGAB CC[C@@H](C)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212731 HFRJBVUJPRECBQ-SECBINFHSA-N 321.471 3.187 0 40 DGAB CCOC(=O)CN(C(=O)c1ccc(COC(C)C)cc1)C(C)C 65476324 CVCCACWHFVNBOA-UHFFFAOYSA-N 321.417 3.025 0 40 DGAB COc1ccc(CCNC(=O)CCc2cccs2)cc1OC 14228108 UKYWTECDKPRIGS-UHFFFAOYSA-N 319.426 3.057 0 40 DGAB c1ccc2[nH]c(Sc3nc4ccccc4n4cnnc34)nc2c1 6733192 NRBNZYPQOGYONB-UHFFFAOYSA-N 318.365 3.305 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1cccc[n+]1[O-] 5780143 QVMKZQCMJSLGRE-GFCCVEGCSA-N 312.394 3.473 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2cccs2)c(C)c1 5786875 CIBHFXSQGPPVNS-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB Cc1cc(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)no1 67610184 QCCVRIYVPSYONF-GFCCVEGCSA-N 324.384 3.293 0 40 DGAB CCC[C@@H](C)NC(=O)COC(=O)c1cc(C)n(C(C)C)c1C 16046815 QYWFQNNSCUPOTD-GFCCVEGCSA-N 308.422 3.147 0 40 DGAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1ccccc1O 408814974 ZYJMUXCPHDNERC-UHFFFAOYSA-N 315.349 3.294 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1coc(-c2cccs2)n1 9387207 KBJYFCOBKCIBIQ-UHFFFAOYSA-N 317.370 3.338 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H](C(F)(F)F)C1 9317882 NUAOPZVNEYTQMY-GFCCVEGCSA-N 323.318 3.491 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1ccc(F)cc1Cl 83540485 DMQIAFWDGOUQNY-LBPRGKRZSA-N 323.759 3.036 0 40 DGAB CSc1cc2c(cc1NC(=O)N1CCC[C@H](C)C1)OCCO2 71853998 BRFFKPYRUHMDKU-NSHDSACASA-N 322.430 3.444 0 40 DGAB C[C@@H](c1cc(F)ccc1F)N1CCn2c(nnc2C2CC2)C1 72268431 VFKWGFQRNIDSAS-JTQLQIEISA-N 304.344 3.011 0 40 DGAB Cc1cnc(C[S@](=O)Cc2cccc(Br)c2)o1 97047732 ZCOYNWLIBOLKNN-KRWDZBQOSA-N 314.204 3.194 0 40 DGAB Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@H]3C(=O)O)cc2s1 84290364 VNUABFSYDNOHCU-VXGBXAGGSA-N 318.398 3.434 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1ccc(F)cc1F)CCO2 76067053 RGJHOAZFGWRGBY-UHFFFAOYSA-N 305.280 3.013 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccccc1[S@@](C)=O 84667373 UQAMYPVNNPPPEJ-YTEVENLXSA-N 317.414 3.044 0 40 DGAB O=C(NCc1ccon1)c1ccc(C2SCCS2)cc1 78985909 HDUMOBXRSPHSJM-UHFFFAOYSA-N 306.412 3.083 0 40 DGAB CCc1ccc(CCNC(=O)[C@@H](C)Cc2c(C)n[nH]c2C)cc1 73819672 GWVGAJMAVRETOL-ZDUSSCGKSA-N 313.445 3.126 0 40 DGAB Cc1ccc(N2CCC(c3nc(-c4ccccn4)no3)CC2)nc1 74120958 TVYRHSGOKLSVIT-UHFFFAOYSA-N 321.384 3.219 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)[C@H](C)c1ccncc1 95975801 XXYMYWQJKPLDGQ-SMDDNHRTSA-N 300.406 3.135 0 40 DGAB C[C@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cnn(C)c1 74473745 JRIVSINMFBCHPH-DZGCQCFKSA-N 316.405 3.401 0 40 DGAB O=C1N/C(=C/c2ccccc2F)C(=O)N1Cc1ccccc1F 409094342 DFBFIPPQLYLZIJ-OQLLNIDSSA-N 314.291 3.058 0 40 DGAB Cc1ccc(C(C)C)c(OCC(=O)NCCCN2CCCC2)c1 61547482 UQJZKEVQMNWGPY-UHFFFAOYSA-N 318.461 3.099 0 40 DGAB C[C@]1(O)CCCC[C@@H]1[C@H]1CCCN1C(=O)COC1CCCCC1 502099447 SJWCUYSUCKVUKP-LMMKCTJWSA-N 323.477 3.268 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Cc3ccc(Cl)cc3)C2=O)n1 35141893 SATBNKNTZBQKLM-ZDUSSCGKSA-N 314.772 3.166 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cscn3)C2)c1 72368620 XNOUZLKYDQLVGS-CQSZACIVSA-N 316.426 3.383 0 40 DGAB CCOC(=O)C1=Cc2ccccc2O[C@]1(OCC)C(F)(F)F 217808825 PEAOTZXWEQEGAL-AWEZNQCLSA-N 316.275 3.321 0 40 DGAB Cc1cc(CNC(=O)[C@H](C)OCc2ccccc2)ccc1F 32919424 HYMIJXUSQHGGCK-AWEZNQCLSA-N 301.361 3.356 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)/C=C/c3cccnc3)co2)cc1 73302350 IVULTUQFCHYCDC-RMKNXTFCSA-N 319.364 3.375 0 40 DGAB CCn1ncc(-c2cc(C(F)F)nc(N3CCCC3)n2)c1C 36613758 BARJLDHVFNWMEV-UHFFFAOYSA-N 307.348 3.206 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2cccs2)cc1 75155875 KAOFAKWDRGZVOS-KRWDZBQOSA-N 319.426 3.173 0 40 DGAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1 35179105 BHAMJIDEDQKSOW-CQSZACIVSA-N 300.745 3.084 0 40 DGAB c1ccc(CN2CCC[C@H]2c2ccc(N3CCOCC3)nc2)cc1 72216152 NFLJSOPSDOGNCB-IBGZPJMESA-N 323.440 3.255 0 40 DGAB O=C(NC[C@H](c1ccccc1)C1CC1)c1c[nH]c2ncccc12 562082789 DPKXXKXQPUCPMH-MRXNPFEDSA-N 305.381 3.487 0 40 DGAB COc1ccc(-c2noc([C@H]3C[C@H]3c3cccnc3)n2)cc1OC 78773628 MTNKWECNGFMYTQ-KBPBESRZSA-N 323.352 3.420 0 40 DGAB CCc1cccc(NC(=O)N[C@@H]2CCC[C@H]([S@@](=O)CC)C2)c1 78457846 VUBVBYWMSMCYIQ-ZMPRRUGASA-N 322.474 3.450 0 40 DGAB CCOc1ccccc1C[C@H](OCc1ccccc1)C(=O)O 225106287 YTBQMUVGBFZLRN-KRWDZBQOSA-N 300.354 3.298 0 40 DGAB C[C@@H](Cc1ccccc1Cl)NC(=O)c1cccnc1S 40111955 JNIPHJDSDIAXHS-JTQLQIEISA-N 306.818 3.385 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)COc2ccccc2)cc1C 223493656 MYWJEMPBBIGWRO-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB COc1ncccc1CNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1 45076282 WFUFFRFMAFABCL-DOMZBBRYSA-N 314.385 3.056 0 40 DGAB C[C@@H](CNC(=O)CCc1ccncc1)Oc1ccc(Cl)cc1 96431966 RBODQYJKPSNCIP-ZDUSSCGKSA-N 318.804 3.251 0 40 DGAB CC(C)n1ccc(CSCC(=O)N2[C@@H](C)CCC[C@H]2C)n1 96448027 ILRONMBAEHQFDF-OKILXGFUSA-N 309.479 3.487 0 40 DGAB O=C(CC1CCCC1)N1CC[C@@H]2[C@@H]1CC(=O)N2c1ccsc1 96063913 VUKDEMBNUYQAGC-CABCVRRESA-N 318.442 3.035 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2nc(C)c(C(=O)O)s2)ccc1F 97235311 QCDWOPLGFPVXSC-VIFPVBQESA-N 322.361 3.088 0 40 DGAB C[C@@H](CN[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccsc1 96478878 KJYLUNXVMURLIJ-QWHCGFSZSA-N 313.430 3.178 0 40 DGAB CC1(C)[C@H](c2ccccc2)C[C@H]1NCCc1nnc2ccccn12 97379783 DUYITCFSRIAQLQ-DLBZAZTESA-N 320.440 3.444 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@@H]2CCC[C@H]2CO)c1 245358626 ZYEVOKMUACRMIH-OSAQELSMSA-N 308.447 3.393 0 40 DGAB COCCC(=O)N[C@@H]1C[C@H](C2CCCCC2)O[C@@H]2CCCC[C@@H]12 257201638 AIKFHTHQCZTEKO-BSDSXHPESA-N 323.477 3.436 0 40 DGAB O=C(Cc1ccccc1F)N1CCC[C@H](Cc2cccnc2)C1 257332719 XYJHFXOAPUADNW-MRXNPFEDSA-N 312.388 3.245 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@H]1CCOC1 252484616 GAOVGPVPAVBKHQ-QMMMGPOBSA-N 323.698 3.256 0 40 DGAB CCn1cc(-c2cncc(CC3CCN(C(C)C)CC3)n2)cn1 257222410 DTEOVJZPGVVTOX-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N1CCCC[C@H]1c1ccn[nH]1 257238924 HNDMLANXHMPMSG-HNNXBMFYSA-N 321.783 3.499 0 40 DGAB COC(=O)CCCCC(=O)c1sccc1Br 382703910 QXYNSNOZSYWYNS-UHFFFAOYSA-N 305.193 3.427 0 40 DGAB CCOCCO[C@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 57421338 WUYWCDMYVQEDOC-HUUCEWRRSA-N 315.413 3.459 0 40 DGAB CCN(C(=O)N[C@@H](C)Cn1ccnc1)[C@H](C)c1ccc(F)cc1 69621497 JOKDKYZHBJPDDS-UONOGXRCSA-N 318.396 3.203 0 40 DGAB c1ccc2oc([C@@H]3CCCN(c4ncnc5c4CCC5)C3)nc2c1 76921124 OMYSFCLXEOPHRB-CYBMUJFWSA-N 320.396 3.491 0 40 DGAB Cc1cc(C(=O)NCc2cc(C3CC3)n(C3CCCC3)n2)no1 96104052 LBVQRXZZALMTSJ-UHFFFAOYSA-N 314.389 3.102 0 40 DGAB O=C(Nc1ncccc1Cl)c1ccncc1Br 97046931 VMTDUCRAKFWDMF-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB Cl[C]1C=CC(=C(OC2CCNCC2)c2ccccn2)C=C1 1560407488 JQQDQIMVFNPHDJ-UHFFFAOYSA-N 301.797 3.458 0 40 DGAB COc1ccc([C@@H]2[C@@H]3CCC[C@H]3[C@H]2NCC2=COCCO2)cc1 19557184 DZNABFBFEWFBDR-NCXUSEDFSA-N 315.413 3.055 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccccc2N2CCOCC2)o1 3560318 FGZJNZOIAHGGHN-CMDGGOBGSA-N 312.369 3.077 0 40 DGAB Fc1c(C2CC2)nc[nH]c1=NCc1ccc(Br)cc1 1889131800 HNNTUJPKPPAENW-UHFFFAOYSA-N 322.181 3.290 0 40 DGAB O=C(CCCc1ccccc1)NCCn1cc(-c2ccoc2)cn1 575614740 DPVWUFAAVUHAII-UHFFFAOYSA-N 323.396 3.282 0 40 DGAB Cn1ccc(C(=O)NCC2(c3ccccc3)CCCCC2)cc1=O 40082686 KXOJPJLGTWVIDY-UHFFFAOYSA-N 324.424 3.017 0 40 DGAB CCc1nc(NC(=O)COc2ccc(OC)cc2)sc1C 40118980 IWRWXSUOFVDAEI-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB CN(C)c1c(F)cc(NC(=O)c2ccc3c(c2)CCO3)cc1F 40155354 RWJJYDWYALCPJC-UHFFFAOYSA-N 318.323 3.218 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@@H]1CC(=O)Nc2ccccc21 40485861 LIUJWUVMGIADHL-CYBMUJFWSA-N 314.410 3.141 0 40 DGAB COC(=O)c1sc2ccc(OC)cc2c1Br 35233 MGPNEMFXUBLBIR-UHFFFAOYSA-N 301.161 3.459 0 40 DGAB CCCCNc1nc2ccccc2n1CC(=O)N1CCCCC1 8135148 ZLXIXTSTMJYIIX-UHFFFAOYSA-N 314.433 3.261 0 40 DGAB COc1cc(F)ccc1NC(=O)c1ccc(N2CCCC2)nc1 69739627 ATRFAWGIUNNHCF-UHFFFAOYSA-N 315.348 3.082 0 40 DGAB Cc1ccc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)cc1C 20662110 MQYZIYCFBVITID-HNNXBMFYSA-N 323.400 3.023 0 40 DGAB Cc1cccc(C2(CNC(=O)c3cc[n+]([O-])cc3)CCCCC2)c1 46235457 BNVRWYVQLAJKBP-UHFFFAOYSA-N 324.424 3.260 0 40 DGAB CCCCn1cnc2c(c(C)c(C)n2Cc2cccnc2)c1=N 101409300 UMSGCQSHOBJAOE-UHFFFAOYSA-N 309.417 3.178 0 40 DGAB CN(C)CCCNCc1cccc(OCc2ccccc2F)c1 8373893 RUTCQVGFICARDS-UHFFFAOYSA-N 316.420 3.446 0 40 DGAB O=C(Cc1cccc(Cl)c1)Nc1ccc(F)c(C(=O)O)c1 52944273 QNMJPOINIFWTLQ-UHFFFAOYSA-N 307.708 3.359 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(C)cc1C 54363331 MEHIUMLJHGRVHC-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cn1c([C@@H](NC(=O)N2CCC2)c2ccccc2)nc2ccccc21 69743059 XGZROXLEMMPIQT-KRWDZBQOSA-N 320.396 3.078 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc2C1 42848087 HIJGKEDFGNGZME-JGVFFNPUSA-N 322.352 3.174 0 40 DGAB Fc1ccc(C2(CNc3cncc(Cl)n3)CCOCC2)cc1 54981857 IXKNBUBJICIVMI-UHFFFAOYSA-N 321.783 3.429 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccccc1F 55693598 ULKIPCMFJULVSN-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 55441309 QAKBFOWCHADJLL-MLGOLLRUSA-N 308.385 3.475 0 40 DGAB Cc1cc(C)nc(SCC(=O)Nc2c(C)cccc2C)n1 3219728 DAOQMLFNHWKKCM-UHFFFAOYSA-N 301.415 3.441 0 40 DGAB Cc1ccccc1C1(CNC(=O)c2ccoc2C)CCOCC1 55760828 VXWQTDGBLSAUEM-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1cccc(F)c1 55863129 YFFCKQCASSBQOZ-MRXNPFEDSA-N 302.349 3.337 0 40 DGAB Cc1ccc(S(=O)(=O)Cc2cc(Cl)c3c(c2)OCO3)cc1 43849787 ZLADQJAFDHDVHZ-UHFFFAOYSA-N 324.785 3.351 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)on1 89871289 OLIWMELNWWJHED-UHFFFAOYSA-N 312.373 3.420 0 40 DGAB CCOC(=O)c1c(CSc2nncn2C)oc2ccccc12 58208466 JHMMWOSVZNXUMQ-UHFFFAOYSA-N 317.370 3.030 0 40 DGAB COCCCNC[C@@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@@H]21 12659984 BGKMCMULUPGYJR-LORHWOILSA-N 321.461 3.071 0 40 DGAB biogenic COc1cccc(NC(=O)COC(=O)c2cccc(Cl)c2)c1 3385780 CKOBNFFZNNAZHJ-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CCCSc1nc(=O)n(CCc2ccccc2)c2c1CCC2 28288341 VPGWGCVTTDIIDX-UHFFFAOYSA-N 314.454 3.477 0 40 DGAB Cc1ccc(C)c(C(=O)CSc2nc(-c3ccncc3)n[nH]2)c1 2479304 QZTWSDNLYXWCBK-UHFFFAOYSA-N 324.409 3.459 0 40 DGAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc([S@](C)=O)cc1 48229706 CJLXKOIPOVRKOU-OAQYLSRUSA-N 321.829 3.350 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 3598210 QHWRATWFZRNXCF-UHFFFAOYSA-N 305.330 3.285 0 40 DGAB COc1ccc(N(C(=O)c2cnn(C)c2C)[C@@H](C)C2CC2)cc1 69416394 OKWZPIMFGOUONP-LBPRGKRZSA-N 313.401 3.182 0 40 DGAB Cc1cccc(SCc2cc(=O)n3nc(C)sc3n2)c1 49372958 BTGUPJSHVKYUEG-UHFFFAOYSA-N 303.412 3.060 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(Br)cc1 8699515 CHWSLNCYQOYQKD-LLVKDONJSA-N 316.195 3.007 0 40 DGAB CCC(=O)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 69527557 SBXMYZVZCWLXCZ-GFCCVEGCSA-N 306.164 3.442 0 40 DGAB O=c1ccc2ccc(OCCOc3ccc(F)cc3)cc2o1 4434851 DZCHLOOFHADZCF-UHFFFAOYSA-N 300.285 3.390 0 40 DGAB CC(=O)N/C(=C\c1ccc(F)cc1)C(=O)OCc1ccccc1 4474855 GEVZLYJNCPXVDQ-BOPFTXTBSA-N 313.328 3.046 0 40 DGAB C[C@H](NCC1CCN(CCO)CC1)c1cccc2ccccc12 69875144 UYLJKTSFKOTWHC-INIZCTEOSA-N 312.457 3.195 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 69930131 SKMWMIZQJDOIJQ-IBGZPJMESA-N 323.440 3.086 0 40 DGAB CCc1ncc2c(n1)CN(Cc1ncc(-c3ccccc3)o1)CC2 69951127 VLHZOAOGAQCTKI-UHFFFAOYSA-N 320.396 3.252 0 40 DGAB C[C@H]1CCCc2sc3nc(N4CCCC4)n4ncnc4c3c21 5556442 XKLMBNCHKURLDC-JTQLQIEISA-N 313.430 3.379 0 40 DGAB COc1cc(C(=S)N2CCCCCC2)cc(OC)c1OC 4723693 VMWAPYJFMHNXBR-UHFFFAOYSA-N 309.431 3.264 0 40 DGAB Cc1cc(NS(=O)(=O)c2ccc(F)c3ccccc23)no1 4751777 DWDWMFNWQQKEGP-UHFFFAOYSA-N 306.318 3.076 0 40 DGAB C[C@H](C(=O)NCCC(=O)O)c1ccc(-c2ccccc2)c(F)c1 6764234 CPBPASUSXLMRIY-LBPRGKRZSA-N 315.344 3.187 0 40 DGAB COc1cccc(-c2cc(C(=O)NCc3ccccc3)n[nH]2)c1 6942907 QEKGOPKFBJAGKQ-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB COc1ccc2c(CC(=O)OCC(=O)c3ccccc3)coc2c1 6942453 BNBYAUOOIDQRFN-UHFFFAOYSA-N 324.332 3.410 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)NC2(c3ccccc3)CCCCC2)cn1 70957052 UXFRHPJUWLMFFW-ZWKOTPCHSA-N 323.440 3.499 0 40 DGAB CCSc1nnc(NC(=O)c2cccc3ncccc23)s1 8981846 QCGSOPSTVCPXII-UHFFFAOYSA-N 316.411 3.451 0 40 DGAB CC(C)C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 9217233 GGSNTWUCBJURNL-UHFFFAOYSA-N 303.189 3.046 0 40 DGAB COc1nc(C(=O)N(C)[C@H](C)c2ccncc2)cc2ccccc12 96134111 GBVSBSQFZNBNGQ-CYBMUJFWSA-N 321.380 3.472 0 40 DGAB FC(F)(F)c1nnc2sc(-c3ccc4ccccc4n3)nn12 9477215 OBFCZAZVUXTMJS-UHFFFAOYSA-N 321.287 3.420 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)o1 71799992 DKXMYEHEIKWGKP-HNNXBMFYSA-N 305.761 3.455 0 40 DGAB Cn1nccc1C(=O)N(CCc1cccc(F)c1)C1CCCC1 96462199 GSUKGFMKOCKIPP-UHFFFAOYSA-N 315.392 3.187 0 40 DGAB Cc1[nH]c(C(=O)N2CCC[C@@H](C)C2)c(C)c1C(=O)OC(C)C 9603724 RWFRYBPQUFNIDF-LLVKDONJSA-N 306.406 3.069 0 40 DGAB Cc1ccc(SCC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 72294703 UARKGOZSVPYPMD-BMFZPTHFSA-N 305.443 3.017 0 40 DGAB COc1ccccc1NC(=O)c1cc(-c2ccccc2O)n[nH]1 72427493 RKESTJNNRSDNNZ-UHFFFAOYSA-N 309.325 3.043 0 40 DGAB COc1ccc(NC(=O)N[C@@H]2CCO[C@H](CC(C)C)C2)c(C)n1 95464613 SZYQPMZYOFUASH-ZIAGYGMSSA-N 321.421 3.114 0 40 DGAB O=C(CSc1cccc2cccc(Cl)c12)NCCCO 98074873 CSUPIOOWLUMXMX-UHFFFAOYSA-N 309.818 3.084 0 40 DGAB Cn1cc(NC(=O)N2C[C@H]3CCCC[C@@]32c2ccccc2)cn1 95977170 HIDZSHACGFXMLP-CRAIPNDOSA-N 310.401 3.353 0 40 DGAB CCS(=O)(=O)Nc1ccc(NC/C=C/c2ccco2)cc1C 95977551 VXLQCLJQACYUKJ-GQCTYLIASA-N 320.414 3.475 0 40 DGAB COC[C@@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C)o1 95968829 UHLFCRAYKJXXAV-GXTWGEPZSA-N 303.358 3.355 0 40 DGAB COc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)cc1F 89578808 LEAUQPSZLNROLL-LLVKDONJSA-N 307.369 3.234 0 40 DGAB C[C@H](CNc1ccccc1)NC(=O)Nc1ccc(Cl)cn1 75110320 FHTHHMBNGZYFQC-LLVKDONJSA-N 304.781 3.357 0 40 DGAB CCOc1ccc(NCCc2n[nH]c(C(C)C)n2)cc1OCC 62719386 GMYXIOXCPUKTTM-UHFFFAOYSA-N 318.421 3.380 0 40 DGAB CCOC(=O)c1cnc2cc(Cl)c(OC)cc2c1N(C)C 64874602 WDWVSCONSIQUFY-UHFFFAOYSA-N 308.765 3.140 0 40 DGAB Fc1ccccc1N1CCN(c2ncnc3ccsc23)CC1 28624571 FPDTZTVCIQDJER-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB COc1nc2ccc(NC(=O)c3cnn(C(F)F)c3)cc2s1 1556380121 YAIVBNJFVHTNIV-UHFFFAOYSA-N 324.312 3.149 0 40 DGAB O=C(N[C@@H]1CCc2ccc(F)cc21)c1cnc(O)c2ccccc12 527290431 TZOGOTCLDYXEOS-QGZVFWFLSA-N 322.339 3.497 0 40 DGAB Cc1ccsc1C(=O)N1CCN(Cc2cccc(F)c2)CC1 32501785 HPLJIONZNJORHF-UHFFFAOYSA-N 318.417 3.154 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc(-n2cccn2)c1 74037457 AFOFZXUSXWWXPL-ZWNOBZJWSA-N 324.211 3.243 0 40 DGAB O=C(Cn1ccc2ccc(F)cc21)Nc1nc2c(s1)CCC2 71285195 QMVWBKMCMCPIOT-UHFFFAOYSA-N 315.373 3.364 0 40 DGAB C[C@@H](NC(=O)[C@@H](C)n1cc(Br)cn1)c1ccccc1 32611615 ALFJFXCEHMDFLV-GHMZBOCLSA-N 322.206 3.084 0 40 DGAB Cn1cnc2cc(OC(=O)c3cc(-c4ccccc4)on3)ccc21 70640927 IJALOVMMBQFJNZ-UHFFFAOYSA-N 319.320 3.448 0 40 DGAB FC(F)(F)Oc1ccc(-c2noc(C3CCNCC3)n2)cc1 72265091 XQLGEBIXFBDEJX-UHFFFAOYSA-N 313.279 3.102 0 40 DGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccncc1 223991718 LZIBQLZSCLBAKR-CQSZACIVSA-N 310.397 3.044 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC[C@@H]1C)[C@@H]2C(=O)O 225713627 GUOHAOSSSNLHLQ-UNPMEBSKSA-N 305.418 3.081 0 40 DGAB O=C(OCc1cccnc1)c1snnc1-c1ccc(F)cc1 223843755 TVXOHPCHPJEZCB-UHFFFAOYSA-N 315.329 3.096 0 40 DGAB Nc1ncc(-c2nc(-c3ccc(C(F)(F)F)cc3)no2)s1 89263077 BDYXUFDZKTXOMJ-UHFFFAOYSA-N 312.276 3.461 0 40 DGAB O=C(NCCc1ccccc1)c1snnc1-c1cccs1 225787289 HQZQGTOJWYODAU-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB Fc1ccccc1OCc1noc(-c2coc(CC3CC3)n2)n1 193227857 CPCSJRQPZZPFEO-UHFFFAOYSA-N 315.304 3.395 0 40 DGAB Fc1cnc(OC2CCN(Cc3ccccc3Cl)CC2)nc1 1203388052 DCXISYJNYZCKPV-UHFFFAOYSA-N 321.783 3.313 0 40 DGAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)[C@@H]1C[C@H]2CC[C@@H]1O2 581252366 DIOVPBFMBYRWNJ-VXNCWWDNSA-N 317.404 3.317 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@@H]1CCO[C@H]1C 97230580 BIXJRFMVJTWLAK-WDEREUQCSA-N 317.307 3.016 0 40 DGAB CCS(=O)(=O)[C@@H](C)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519386 SRIKUSLQBMGGCO-SUMWQHHRSA-N 304.411 3.210 0 40 DGAB Cc1csc(NC(=O)N(C[C@@H](O)c2ccccc2)C2CC2)n1 96451114 ZZUBBOXCARNEHQ-CQSZACIVSA-N 317.414 3.181 0 40 DGAB Cc1ccc(CN2CC[C@@H]3OCCN(CC4CC4)[C@H]3CC2)s1 248052814 BIMIPXCXRUOKAD-ROUUACIJSA-N 320.502 3.132 0 40 DGAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3cccs3)C2)n1 257343735 ZUESHCHHIXCLEM-CQSZACIVSA-N 315.442 3.193 0 40 DGAB Cc1nc(CNC(=O)/C=C/c2ccc(C(F)(F)F)cc2)[nH]c1C 585125686 BJGBBOUUWQQYTN-VMPITWQZSA-N 323.318 3.375 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257201165 AGOUGRHAGBSWCZ-GFCCVEGCSA-N 303.793 3.158 0 40 DGAB Cc1cc2cc(NC(=O)c3ccc([S@@](C)=O)cc3)ccc2[nH]1 43771392 DYRYANOZXAGKMI-QFIPXVFZSA-N 312.394 3.466 0 40 DGAB CCCN1C(=O)c2ccc(Cl)cc2N[C@H]1c1csnn1 48622316 SJVZRSGPHOGUFI-GFCCVEGCSA-N 308.794 3.168 0 40 DGAB CC1CCN(C(=O)c2ccccc2NC(=O)C2CCC2)CC1 55925888 DEZFXHMSWZWYEC-UHFFFAOYSA-N 300.402 3.297 0 40 DGAB O=C(c1ccc2c(c1)COC2)N(CC(F)(F)F)c1ccccn1 69417515 BIPZEUQSVWUSLK-UHFFFAOYSA-N 322.286 3.321 0 40 DGAB CC(=O)N[C@H]1CCCN(C2CCCC2)[C@H]1Cc1ccc(F)cc1 1615191689 JJHIXYVXJDANIC-OALUTQOASA-N 318.436 3.280 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4NC(=O)CC[C@]34C)[C@@H]1CC[C]2C(=O)O 1560405367 OCMCBFOALXJKNB-ARUOURPWSA-N 318.437 3.167 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)c1 12740839 QYICUJMYNNCUDD-VMPITWQZSA-N 307.353 3.125 0 40 DGAB O=C(C1CCCCC1)N1CCC(C(=O)O)(c2ccccc2)CC1 13185157 VXEVTRSTFMRVRG-UHFFFAOYSA-N 315.413 3.212 0 40 DGAB CC(C)(C)c1noc([C@@H]2CCN(Cc3ccc(F)cc3)C2)n1 19084617 LDFRYVYRYLQATE-CYBMUJFWSA-N 303.381 3.496 0 40 DGAB Cc1ccc2[nH]c(SCC(=O)N(C)Cc3ccco3)nc2c1 6292250 AFPSBERGRHHVKD-UHFFFAOYSA-N 315.398 3.215 0 40 DGAB O=C(NCC1(c2ccsc2)CC1)c1noc2c1CCCC2 1889108782 LDEMKQVEUQTLTJ-UHFFFAOYSA-N 302.399 3.077 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)Nc3ccn(C)n3)sc2n1 25169500 IANUYECIRYRQKJ-UHFFFAOYSA-N 300.387 3.207 0 40 DGAB Cc1cc(C(=O)N[C@H]2CC[C@H](Oc3ccccn3)CC2)c(C)o1 244986221 JLGFUJXFTNOTPR-SHTZXODSSA-N 314.385 3.411 0 40 DGAB C=C[C@]1(C)C[C@@H](O)[C@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O 96306331 OBUUFWIMEGVAQS-JAFVRLMVSA-N 320.473 3.342 0 40 DGAB biogenic COc1ccc(Cl)cc1C(=O)Nc1nnc(SC)s1 4079471 YIEMIEYBYHHETR-UHFFFAOYSA-N 315.807 3.174 0 40 DGAB O=S1(=O)N(Cc2ccc(F)cc2)c2ccccc2N1C1CC1 585147800 XTJWIDDOXRRCSV-UHFFFAOYSA-N 318.373 3.060 0 40 DGAB O=C(CCc1ccncc1)Nc1nc2c(s1)CCCCC2 40116139 VWKMIAAYHYJPFV-UHFFFAOYSA-N 301.415 3.378 0 40 DGAB CCCNC(=O)[C@@H](C)NC(=O)Nc1c(C)cccc1C(C)C 40526099 CZSVELUSASKMCV-CYBMUJFWSA-N 305.422 3.155 0 40 DGAB Clc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 113678 BPSAFOAGAPTQHS-LSDHHAIUSA-N 311.776 3.473 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1F 8259707 OUGLQLYQLHPKDB-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB C[C@H](N[C@@H](C)c1nnnn1-c1ccccc1)c1cccc(F)c1 51592828 USJWJHWCRGEJLB-STQMWFEESA-N 311.364 3.213 0 40 DGAB COc1cccc(OC)c1C(=O)Nc1cc(Cl)ccc1O 1006309 FOPZRLVFIUEIMC-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB COc1ccc2c(c1)[C@@](O)(CN)CCCC[C@@H](OC)CCCC2 1584363 SKTRNYRPGRIKCS-LPHOPBHVSA-N 321.461 3.143 0 40 DGAB O=C1O[C@H]([C@H]2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 1646121 AMJPNPLLTGFUIC-LPHOPBHVSA-N 304.345 3.442 0 40 DGAB COc1ccc2c(c1)OC(=O)C[C@@H]2c1ccc(OC)c(OC)c1 1713900 MISQGXCETOHBAR-CQSZACIVSA-N 314.337 3.153 0 40 DGAB C[C@@H](NC(=O)CCN1CCSC1=O)c1cc2ccccc2o1 32787564 AKWJGTQRNMPLBC-LLVKDONJSA-N 318.398 3.169 0 40 DGAB COc1cc(CNC(C)(C)C)cc(Br)c1OC 6882493 NIZCIRORMROAAT-UHFFFAOYSA-N 302.212 3.354 0 40 DGAB COc1cccc(CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1 32862461 KEXXNQQRGXWXCI-LBPRGKRZSA-N 324.384 3.132 0 40 DGAB COCCOc1ccccc1C(=O)Nc1ccc(Cl)nc1 69704936 XIPJZMVMBXQFKR-UHFFFAOYSA-N 306.749 3.013 0 40 DGAB CN(C(=O)c1cccc2c1OCCO2)c1cc(F)ccc1F 69741109 DQVFTUYOZWCALP-UHFFFAOYSA-N 305.280 3.013 0 40 DGAB Clc1snnc1CSc1ncn(-c2ccccc2)n1 21757056 FKCDZYXDIHNREV-UHFFFAOYSA-N 309.807 3.065 0 40 DGAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccccc2F)CCC1 102744064 JYNWOVZIBPUFDS-CYBMUJFWSA-N 300.293 3.444 0 40 DGAB O=c1c2cc3ccc(O)cc3oc-2nn1-c1ccc(Cl)cc1 33020965 XPTGWOAYVIXQQL-UHFFFAOYSA-N 312.712 3.443 0 40 DGAB CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@@]3(C)C[C@@H]3C(=O)OCC)CC[C@]21C 104051787 DVMQQAMKHPKYQE-WHGULVMYSA-N 308.418 3.191 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(N(C)C)cc2C(F)(F)F)cn1 33176935 YTWHFLVFUSBOES-UHFFFAOYSA-N 324.306 3.122 0 40 DGAB CCn1c(NC(=O)c2ccccc2)c(C(=O)OC)sc1=S 549877 JEDOPCVCWZJQNZ-UHFFFAOYSA-N 322.411 3.338 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@@H]1C[C@H]1C1CCCCC1 89818264 HLLJTPXNCRYWMP-LSDHHAIUSA-N 317.433 3.355 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cn3cc(Cl)ccc3n2)cc1 12322765 FYCYHKKKMQTREA-UHFFFAOYSA-N 313.744 3.443 0 40 DGAB Cc1cc(=O)n2nc(Nc3ccc(C(C)C)cc3)sc2n1 12562842 RFVCHHAYKHHLBQ-UHFFFAOYSA-N 300.387 3.326 0 40 DGAB Cc1cnc(C(=O)N(Cc2ccccc2)c2ccccn2)cn1 25053601 SXSMUHAZPBISJK-UHFFFAOYSA-N 304.353 3.027 0 40 DGAB Cc1cccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1 1427913 BRGCRAQIIFDRTR-OAHLLOKOSA-N 319.360 3.288 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)Nc1nccs1 44935467 RLTZBJRXODYGGN-UHFFFAOYSA-N 317.414 3.013 0 40 DGAB O=c1cc(NCCCNCc2ccccc2)c2ccccc2o1 10313688 CZLDPWVCOPYIPS-UHFFFAOYSA-N 308.381 3.385 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CC(F)(F)F 58377920 TUZIJLMIGXTMAP-UHFFFAOYSA-N 302.296 3.106 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@@H]1CCCc2ccccc21 3343633 FCPYDMPNRAGLFT-CYBMUJFWSA-N 323.318 3.096 0 40 DGAB O=c1oc2ccccc2n1CCN1CCC[C@H]1c1ccsc1 48364695 KSCHEYXUUXZVAJ-AWEZNQCLSA-N 314.410 3.493 0 40 DGAB O=C(CN(C1CCCCC1)C1CC1)Nc1ccc(Cl)cn1 48367386 JMZUHEMLOZIFDW-UHFFFAOYSA-N 307.825 3.471 0 40 DGAB COCCOc1ccc([C@H](C)NC(=O)C2CCCC2)cc1OC 48314895 KBDPDMSBDIIVML-ZDUSSCGKSA-N 321.417 3.088 0 40 DGAB Nc1c(Cl)cc(NC(=O)COCC(F)(F)F)cc1Cl 48482554 KUSCBQCANNCJIG-UHFFFAOYSA-N 317.094 3.093 0 40 DGAB COc1ccc2c(c1)sc1nc(O)c(-c3ccccc3)c(=O)n12 8572821 KMYKNLACIDADFA-UHFFFAOYSA-N 324.361 3.290 0 40 DGAB COc1cc(-c2nc3cnccn3c2NC2CCCC2)ccc1O 3896486 BFDRODXPEAUAJO-UHFFFAOYSA-N 324.384 3.465 0 40 DGAB COCCn1c(S)nc2scc(-c3ccccc3)c2c1=O 3887599 NCWXSSXMHIBWII-UHFFFAOYSA-N 318.423 3.060 0 40 DGAB COc1cccc(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 5029590 GEBTVPGQETWCRB-SCLBCKFNSA-N 324.380 3.066 0 40 DGAB COc1ccc(F)cc1CSCC(=O)Nc1cc(C)on1 8772163 ZZTXPNDRHZEBTG-UHFFFAOYSA-N 310.350 3.003 0 40 DGAB Cc1c(C)n(Cc2ccccc2)c2ncnc(NCCN(C)C)c12 5270902 CFQQSBRCCZTGGS-UHFFFAOYSA-N 323.444 3.070 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@H](C)c2cc3ccccc3o2)nc1 22966639 IZRSRYRKGBIOGJ-LLVKDONJSA-N 324.336 3.105 0 40 DGAB O=C(Cc1coc2ccc3ccccc3c12)Nc1ccc[nH]c1=O 65488467 HIYIZWVRPDKOLN-UHFFFAOYSA-N 318.332 3.456 0 40 DGAB COC[C@@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 14063973 WGNUDPZTWRDZJP-OAHLLOKOSA-N 322.408 3.459 0 40 DGAB CCOCCCn1c(NC(=O)c2ccncc2)nc2ccccc21 65500954 HJMBTQUPWUNGBQ-UHFFFAOYSA-N 324.384 3.110 0 40 DGAB Cc1cc2ccccc2n1CC(=O)Nc1ccc2c(c1)OCO2 6613300 IPDQGDSOIRQKFN-UHFFFAOYSA-N 308.337 3.317 0 40 DGAB Cc1cccc(C[S@@](=O)[C@H](C)C(=O)Nc2ccccc2F)c1 66297137 LYAGBOZYQDWDPG-DMZKTXOQSA-N 319.401 3.410 0 40 DGAB COc1ccc(CC(=O)Nc2cccc3cccnc23)cc1OC 5676136 YGNAVUDIILFVDT-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(-c3cccc(F)c3)o2)C1=O 4834939 IKABSZHUSCOPSI-GXDHUFHOSA-N 314.316 3.388 0 40 DGAB CSC[C@@H](C)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 66758307 JVZBXTDMXCCHDA-PBHICJAKSA-N 314.454 3.419 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@H](C)Sc1ccccn1 9157671 FJDDDGZIFUJQLH-LBPRGKRZSA-N 300.383 3.404 0 40 DGAB Cc1ccc2ncc(C(=O)N3CCC[C@@H]3c3ccncc3)n2c1 90141211 RCQLXXZWJCONTF-OAHLLOKOSA-N 306.369 3.015 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)CSc2ncccn2)cc1 7122753 QCEMHFJBIFRYKM-UHFFFAOYSA-N 315.398 3.190 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 7786491 XXZAYYGGTQVCGP-KLAHQYIXSA-N 301.386 3.181 0 40 DGAB COc1ccc(CN(C)CC(=O)Nc2ccccc2C)cc1F 8133631 BLIFHGLIZJELLG-UHFFFAOYSA-N 316.376 3.213 0 40 DGAB CCN(CC1CC1)C(=O)c1sc(NC(=O)C2CC2)cc1C 89969126 OIYIQRBEFQWWAG-UHFFFAOYSA-N 306.431 3.277 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)CCCn2ccnc2)C1 71915254 ZFKKJPBOPUVEGE-DLBZAZTESA-N 311.429 3.376 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)C(Cl)(Cl)Cl 9667435 DLPOBEBPDQGZKH-UHFFFAOYSA-N 323.607 3.135 0 40 DGAB O=C(CCc1ccccn1)N1CCCC[C@@H]1c1nccs1 72285811 PWNONHMIQWLYSB-CQSZACIVSA-N 301.415 3.225 0 40 DGAB C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 72233067 WSCUHXPGYUMQEX-YXIFDLGNSA-N 302.414 3.058 0 40 DGAB CC(C)(C)c1cc(NC(=O)Nc2ccc3c(c2)CC(=O)N3)no1 72283385 PGHYQVPPUUSIRA-UHFFFAOYSA-N 314.345 3.111 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc3nncn3c2)[C@H]1c1cccc(F)c1 84697777 NJWCORGVTGCKNK-SJKOYZFVSA-N 324.359 3.092 0 40 DGAB CC[C@H](C)CN(C)C(=O)NCc1ccccc1-n1cccn1 95395157 USUZXCIEBBFJKL-AWEZNQCLSA-N 300.406 3.060 0 40 DGAB COc1ccc([C@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1 95419748 NXBGJBMPCOUXPW-ZWKOTPCHSA-N 301.361 3.145 0 40 DGAB CC[C@@H](C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C 95463309 FOSPCYLWFFFJPN-LLVKDONJSA-N 324.384 3.256 0 40 DGAB CC[C@H](CO)NC(=O)/C=C/c1sc2ccccc2c1Cl 95408980 OPYDCFKWRDLLDA-QROSGCPLSA-N 309.818 3.455 0 40 DGAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(C)no2)cc1 98014125 AQDXOGLDFBLWAL-DOTOQJQBSA-N 314.385 3.189 0 40 DGAB Cc1nc(C)c(C(=O)N2CCS[C@H](c3ccccc3)C2)o1 73797366 UUHFFXMSYHAGEO-AWEZNQCLSA-N 302.399 3.222 0 40 DGAB Cc1nc(NC(=O)CC[C@H]2CCCO2)ccc1Br 74240380 AUIRFNKOJIENNL-SNVBAGLBSA-N 313.195 3.050 0 40 DGAB O=C(NCc1csc(-c2ccccc2)n1)c1cc(C2CC2)[nH]n1 74215508 JPXISSCEGJBZHC-UHFFFAOYSA-N 324.409 3.341 0 40 DGAB Cc1cc(F)ccc1NC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 89589159 PYCGDMZUPOCJRK-AWEZNQCLSA-N 322.380 3.472 0 40 DGAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(F)c(Cl)c1 22112745 FGKFRJIBXJOTLF-JTQLQIEISA-N 303.717 3.130 0 40 DGAB O=C(CCNC(=O)C1CCCC1)Nc1ccc(F)cc1Cl 33147523 RDWRRRYUONYQIB-UHFFFAOYSA-N 312.772 3.114 0 40 DGAB O=C(NCc1nc2ccccc2s1)[C@@H]1CCc2cccc(O)c21 552798586 UGNMBQXQLJWVOD-GFCCVEGCSA-N 324.405 3.348 0 40 DGAB COc1ccc2nc([C@H]3CCN(C(=O)C4CCCC4)C3)[nH]c2c1 35442881 UAUFTIYTFQBNGQ-ZDUSSCGKSA-N 313.401 3.078 0 40 DGAB biogenic,in-vitro [O-][n+]1ccccc1SC[C@@H](O)c1ccc(C(F)(F)F)cc1 71948350 SSJVQXILOBUMPX-GFCCVEGCSA-N 315.316 3.165 0 40 DGAB O=C(Cc1cccs1)NC[C@@H](O)c1cccc2ccccc12 70635942 OBDLRYUNCZIKSY-QGZVFWFLSA-N 311.406 3.294 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NCCSC2CCCC2)cc1 31236423 IOVLOTSNFUSPLV-CYBMUJFWSA-N 323.458 3.255 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)C)cc1Br 72414316 DMFLNSUKVYDGNH-UHFFFAOYSA-N 320.252 3.143 0 40 DGAB Cc1ccc(-n2ncc(C(=O)NCCc3ccccc3)c2C)cc1 40052268 SCWMQFRQIXLOCH-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB N[C@H](CC(=O)N1CC2(CC2)c2ccccc21)Cc1ccccc1 562971063 MNHCUQSPBLFQNQ-INIZCTEOSA-N 306.409 3.025 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCC 223282146 YJRCMHQEDKUGDH-AWEZNQCLSA-N 322.424 3.259 0 40 DGAB COC(=O)c1ccc(C(=O)c2ccccc2Br)o1 85393767 USTAPQABQUPGBZ-UHFFFAOYSA-N 309.115 3.060 0 40 DGAB C[C@H](C(=O)N1CCC[C@H]1c1ccncc1)[C@@H](N)c1ccccc1 195538870 PBONQIXZHVMNAD-JCGIZDLHSA-N 309.413 3.081 0 40 DGAB CC(C)CO[C@@H]1CCN(Cc2cccc(C(=O)O)c2Cl)C1 571453490 UGITYXGZICCYER-CYBMUJFWSA-N 311.809 3.285 0 40 DGAB CCn1c([C@H](C)N=c2nc(C(C)(C)C)o[nH]2)nc2ccccc21 572864646 YCILFRPOPAVDTH-NSHDSACASA-N 313.405 3.332 0 40 DGAB C[C@H]1CCCN(CCCNC(=S)Nc2ccc(F)cc2)C1 225735997 UTRFZNGOVMJCFQ-ZDUSSCGKSA-N 309.454 3.234 0 40 DGAB CCn1c([C@@H]2CCCN2Cc2nnc(C)o2)nc2ccccc21 84131944 ZDQWVRJMHOTKIF-HNNXBMFYSA-N 311.389 3.085 0 40 DGAB Cn1cccc1C(=O)N1CCC[C@@]2(C[C@H](c3ccccc3)CO2)C1 96073471 YGACIMYGOSVJPC-FXAWDEMLSA-N 324.424 3.204 0 40 DGAB C[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1csc2ccccc12 95406643 OSHDLJQZUSIUMQ-RWMBFGLXSA-N 316.426 3.199 0 40 DGAB Cc1cnc([C@@H](NC(=O)N2C[C@H]3CCC[C@H]3C2)C2CC2)s1 96462410 YQXWVECDFMICPP-MJBXVCDLSA-N 305.447 3.344 0 40 DGAB Fc1cc(CN2C[C@H](C3CC3)[C@@H]2C2CC2)ccc1-n1cncn1 582341233 XZPFMHJKCNCRNY-QAPCUYQASA-N 312.392 3.027 0 40 DGAB C[C@@H]1C[C@H](O)CN(C(=O)Nc2ncc(C3CCCCC3)s2)C1 333156397 FTUXUWKRZYBVKJ-YPMHNXCESA-N 323.462 3.425 0 40 DGAB OC[C@H]1CN(c2ccncc2Cl)CC[C@H]1c1ccccc1 585082710 PKDVKMOINMVGMF-CABCVRRESA-N 302.805 3.337 0 40 DGAB CC(=O)N1CCC(c2ccnc(Nc3cccc(C)n3)c2)CC1 257328420 XFOPGJDDWGMFIW-UHFFFAOYSA-N 310.401 3.255 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257323266 WJKQKTRFQFOLHE-KRWDZBQOSA-N 309.413 3.113 0 40 DGAB C[C@@H](c1cccnc1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1 68376434 VDMILKYUZLVZPM-ZDUSSCGKSA-N 318.465 3.093 0 40 DGAB c1ccc(CO[C@@H]2CSC3(C2)CN(C2CCCC2)C3)nc1 585105402 WAMCRSJBWCRCPR-INIZCTEOSA-N 304.459 3.101 0 40 DGAB CCOC[C@H]1CCN(Cc2ccc3ccc(F)c(F)c3n2)C1 585086297 OFSPNBRADVFZLB-LBPRGKRZSA-N 306.356 3.371 0 40 DGAB OCc1ccn(Cc2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1 685937531 JCXQJIMYUKWBCX-UHFFFAOYSA-N 324.224 3.461 0 40 DGAB CCN(CC1CC1)C(=O)c1cnn2c(-c3ccccc3)ccnc12 69746786 HTFBTEJLKNCLPF-UHFFFAOYSA-N 320.396 3.268 0 40 DGAB CCOC(=O)[C@@H]1[C@@H](O)C[C@H]2c3ccccc3-c3ccccc3[C@H]12 5030115 XBBKGMWUFSFRON-CADBVGFASA-N 308.377 3.478 0 40 DGAB in-vitro C[C@H](NC(=O)Cc1ccc(Br)cc1)c1ccncc1 5226814 UZNCUVLMUYHKJR-NSHDSACASA-N 319.202 3.264 0 40 DGAB Cc1nn(C)cc1-c1nc2cnccn2c1NCc1cccs1 12113908 VRIXOTVVSJWZSP-UHFFFAOYSA-N 324.413 3.112 0 40 DGAB Cc1cc(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)ccc1Cl 12170413 ASCOOIJCINVEAP-KCQAQPDRSA-N 311.853 3.366 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3cc(F)cc(F)c3)CC2)c1 12538251 YOQZMXYOYAJKRH-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 13710403 UKOGQDXRFRBJKN-CYBMUJFWSA-N 313.353 3.438 0 40 DGAB Cc1cc(NC(=O)c2cc(C3CC3)ncn2)n(-c2ccccc2)n1 1888890588 BZTXCPPAVPFASY-UHFFFAOYSA-N 319.368 3.100 0 40 DGAB O=C(NCCC1=CCCCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 4035117 FFJKXEGVBJBHGL-INIZCTEOSA-N 318.461 3.174 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H](O)c1ccc(-c2ccco2)o1 1775965580 DVYVURIABNJGEV-KUCQQTCKSA-N 323.348 3.403 0 40 DGAB COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1ccccn1 40477702 HNHUBGPPMPUKAD-ZDUSSCGKSA-N 319.430 3.062 0 40 DGAB C[C@H](NC(=O)CN(C)C1CC1)c1ccc(Cl)cc1Cl 31655314 YRBQRLCYCRURBP-VIFPVBQESA-N 301.217 3.265 0 40 DGAB Cc1cccc(NC(=O)C[C@H]2Nc3cc(C)c(C)cc3NC2=O)c1 65855 JIENRSPCHXKYHP-QGZVFWFLSA-N 323.396 3.373 0 40 DGAB Cc1sc2ncn3nnnc3c2c1-c1ccc(Cl)cc1 89459 XDQJLWGAUHRZAN-UHFFFAOYSA-N 301.762 3.363 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3cnccn3)n2)s1 11513237 FJOKCMKKCCWOFR-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB COc1cc(NC(=O)OC(C)(C)C)c(Cl)cc1C(=O)O 2582922 KSVAZTGIFFIBGH-UHFFFAOYSA-N 301.726 3.394 0 40 DGAB in-vitro CCc1cccc(CC)c1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4144767 CCQNPBQYYKQQBK-QXSJWSMHSA-N 313.397 3.273 0 40 DGAB O=C(Nc1ncccc1O)c1ccc(OCc2ccncc2)cc1 29758251 XEEBXNMDDYSDNX-UHFFFAOYSA-N 321.336 3.014 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2cc(C)ccc2OC)c1 6539963 JARWGHOPILAAPJ-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 7051665 XIZDCCVVAVOBTL-UHFFFAOYSA-N 320.389 3.227 0 40 DGAB O=C1NCc2ccc(NCc3c[nH]nc3-c3ccccc3F)cc21 89821237 WJGSFFUFPOSPFT-UHFFFAOYSA-N 322.343 3.071 0 40 DGAB CCOCCCNC(=S)Nc1cccc(Br)c1 8104775 CTMOCVXOIIXEOM-UHFFFAOYSA-N 317.252 3.162 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)N1CC(=O)Nc2ccccc21 8478412 DQPLQVXWAMILME-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB O=C(N[C@H]1CC=CCC1)N(CCCO)[C@H]1CCc2ccccc21 89858108 OJDWNGNRGKAHFC-WMZOPIPTSA-N 314.429 3.177 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1ccncc1 32907485 XNOXYWZPVSYXEJ-INIZCTEOSA-N 320.348 3.165 0 40 DGAB Cc1cccnc1NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 46986928 ZVMQIYYDKHHTNH-GFCCVEGCSA-N 324.384 3.157 0 40 DGAB C1=CC[C@H]2CN(Cc3nc(CCc4ccccc4)no3)C[C@H]2C1 75768004 BXMSBTITCCLTRL-CALCHBBNSA-N 309.413 3.253 0 40 DGAB C[C@@H](Sc1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 25718215 IYTGVQDBCWJPSK-LLVKDONJSA-N 309.431 3.243 0 40 DGAB Cc1ccccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 56519860 PQLRPXQFTIYGNH-IJEWVQPXSA-N 303.450 3.483 0 40 DGAB CCCc1cc(C(=O)NCCSc2ccc(C)cc2)[nH]n1 12535550 GSGYSGGQPGPMEN-UHFFFAOYSA-N 303.431 3.193 0 40 DGAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 101276621 URUHIXCXJDWYSF-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CCN1CCN(c2ccc(NC(=O)CC(C)C)c(C)c2)CC1 25185063 XXCOHOKLWCSRCW-UHFFFAOYSA-N 303.450 3.122 0 40 DGAB COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCC(C)C)cc1 58139886 ZVNHZCRMBCUHJQ-MRXNPFEDSA-N 318.417 3.061 0 40 DGAB Cc1ccc(NC(=O)CNc2ccccc2N2CCCC2=O)cc1 12515298 LKCBLIGRIRXLED-UHFFFAOYSA-N 323.396 3.172 0 40 DGAB CCOc1ccc2oc(C(=O)N3C[C@@H](C)O[C@H](C)C3)c(C)c2c1 10214131 UIEJUIIJOBAHEG-VXGBXAGGSA-N 317.385 3.389 0 40 DGAB COCCOc1cccc(NC(=O)Nc2ccc(OC)cc2)c1 58293689 LQMOJARUNLUZKX-UHFFFAOYSA-N 316.357 3.364 0 40 DGAB CC(C)(C)NC(=O)COC(=O)c1c(Cl)cccc1Cl 3284400 QISDWUBCGKFDMJ-UHFFFAOYSA-N 304.173 3.065 0 40 DGAB CC(C)CNC(=O)c1ccc(NC(=O)NC2CC2)cc1Cl 48141205 DUJBJXLCHZANBH-UHFFFAOYSA-N 309.797 3.010 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c(C)c1 3329416 YVDRSQWZMJRSJX-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)NC1CCCCC1)CC2 2434233 GVRLMPXESJDOBG-UHFFFAOYSA-N 318.417 3.104 0 40 DGAB CCCNC(=O)c1cc(C)nc2onc(-c3ccccc3F)c12 36618462 SEZLHKWNNGQNRB-UHFFFAOYSA-N 313.332 3.477 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(Cl)ccn2)cc1C 3412560 WSBBPCKKEIFXLX-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCCC(C)C 13021263 YYYDTBJSEPDNQG-UHFFFAOYSA-N 303.381 3.404 0 40 DGAB O=C1C[C@H](c2noc(Cc3ccccc3)n2)CN1c1ccccc1 65259454 TYKOFZXMISIGTD-HNNXBMFYSA-N 319.364 3.181 0 40 DGAB C[C@@H]([C@@H](C)NCc1c[nH]nc1-c1ccc(F)cc1)n1cccn1 69418024 WITUHJXCXMWRDI-OLZOCXBDSA-N 313.380 3.152 0 40 DGAB CCOc1cc2c(cc1CNC(=O)C1CCCC1)O[C@H](C)C2 5406555 RQTUJHABDKFFOQ-GFCCVEGCSA-N 303.402 3.215 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 5576660 BCXDKWHDEJSUIT-UHFFFAOYSA-N 308.337 3.136 0 40 DGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](Cc2ccccc2)N1 4718970 HWVBMNPLBQARLT-DLBZAZTESA-N 306.365 3.051 0 40 DGAB biogenic O=C(CN1CCc2ccccc21)Nc1ccc(Cl)cc1F 5687612 YAOKKTXRGVHGGP-UHFFFAOYSA-N 304.752 3.480 0 40 DGAB O=C(NCCCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2 6828511 ZKBFNJWIRTWZLD-UHFFFAOYSA-N 321.852 3.259 0 40 DGAB NC(=O)c1cccc(CNC2(c3ccc(F)cc3)CCCC2)c1 66992289 UXRMVQFFWJBNBX-UHFFFAOYSA-N 312.388 3.484 0 40 DGAB COC(CNc1ncnc2sc(-c3ccccc3)cc12)OC 5937712 UYSFQOYKHDHVCS-UHFFFAOYSA-N 315.398 3.389 0 40 DGAB CNC(=O)[C@H]1CN(Cc2ccc(C(C)C)cc2)c2ccccc2O1 7254395 DSRYHAMWHXILRH-LJQANCHMSA-N 324.424 3.324 0 40 DGAB Cc1ccc(SCCNC(=O)CSc2ccccn2)cc1 7371052 CDNUXFHNPGFKGB-UHFFFAOYSA-N 318.467 3.391 0 40 DGAB O=C(Nc1ccc(F)cc1)c1ncn(-c2ccc(Cl)cc2)n1 8715361 SAMGUUZAYAUHDR-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB COc1c(F)ccc(F)c1C(=O)NCCSc1ccccc1 79068945 UWVMAWKSSDGNMH-UHFFFAOYSA-N 323.364 3.496 0 40 DGAB Cc1ccc(NC(=O)CCCc2nc(-c3cccnc3)no2)cc1 9225791 PZQHYOXRHDVPMW-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 9314272 QYBRFDFYYUHOIZ-NSHDSACASA-N 300.333 3.275 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@H]1c1ccccc1F 9318857 JPJXUDJAOTVKQE-QWHCGFSZSA-N 309.344 3.122 0 40 DGAB CO[C@H](C(=O)NCc1coc(-c2ccccc2)n1)c1ccccc1 96423225 UXKAJWQJUZASSX-KRWDZBQOSA-N 322.364 3.346 0 40 DGAB COC1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 71881410 QUISBWKFHFVGPB-UHFFFAOYSA-N 312.413 3.032 0 40 DGAB CCO[C@@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 71825539 LJAKTDJNMFOEGL-OAHLLOKOSA-N 300.402 3.128 0 40 DGAB C[C@H]1[C@H](c2ccccc2)OC[C@@H](C)N1C(=O)CCc1cccnc1 71894292 DBMOYHXKQNBDNP-GQIGUUNPSA-N 324.424 3.391 0 40 DGAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)cn1 71884155 BALCHZHXGAPDAZ-CVEARBPZSA-N 300.789 3.463 0 40 DGAB C[C@@H]1C[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](C[C@H](O)[C@@H]4O)[C@@H]3CC[C@@H]2CC1=O 118923394 AOBJJIQCLHDHTP-CLCWGWHSSA-N 320.473 3.176 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@@H](CCCO)c2ccccc2)c1 97143065 QDRUNQVOCJFRJB-INIZCTEOSA-N 313.401 3.334 0 40 DGAB CCn1c(CN(C)Cc2csc(C)n2)nc2ccccc21 79020200 NQIWBRGUKKPRKT-UHFFFAOYSA-N 300.431 3.453 0 40 DGAB O=C(N[C@H]1CCc2cc(Cl)ccc21)c1cnc2ccccn12 84606583 MRJRFHYKVKJBNC-AWEZNQCLSA-N 311.772 3.405 0 40 DGAB CCOc1ncc(C(=O)N[C@@H](C)c2cncc(F)c2)cc1Cl 95465084 ZMZHWLNWQIUDRC-VIFPVBQESA-N 323.755 3.159 0 40 DGAB CCSCC[C@H](C)NC(=O)C[C@@](O)(c1ccccc1)C1CC1 84812064 HDUNTAOLDCFXRF-KBXCAEBGSA-N 321.486 3.322 0 40 DGAB CCc1nnc(CN2CCC(c3ccc(OC)cc3)CC2)o1 74992382 PZYVRMDJQPWGLG-UHFFFAOYSA-N 301.390 3.020 0 40 DGAB CCOC(=O)c1c(COC(=O)c2ccccc2)cccc1OC 35973456 WXCWPMIQAXBMRZ-UHFFFAOYSA-N 314.337 3.229 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 31561728 DXHJCTHDKUAGJK-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCC[C@H]1C 32648174 CREWJHMCTYRKOU-KOLCDFICSA-N 303.328 3.172 0 40 DGAB C[C@@H](Cc1ccccc1F)Nc1cccc(NS(C)(=O)=O)c1 186713799 CVEBMIVRQZAUTC-LBPRGKRZSA-N 322.405 3.240 0 40 DGAB COc1nccc(C(=O)C(F)(F)F)c1NC(=O)OC(C)(C)C 35570170 AMKQRBJARHCVMN-UHFFFAOYSA-N 320.267 3.182 0 40 DGAB CC1CC(CN2C(=O)CCc3cc(SCCN)ccc32)C1 218818535 MFHWFMNDKKFPHL-UHFFFAOYSA-N 304.459 3.063 0 40 DGAB Brc1csc(-c2noc(-c3cnccn3)n2)c1 78774481 WQXMBLBYZTUSGJ-UHFFFAOYSA-N 309.148 3.018 0 40 DGAB CC(=O)N[C@@H](C)C(=O)N1CCC[C@H]1c1cccc2ccccc12 79044381 PVSBTHGZEFTDGA-UGSOOPFHSA-N 310.397 3.028 0 40 DGAB COc1ccc(CCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 219484988 CVWJCFBPWAWQJG-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1ccc(-n2cccn2)cc1 75347079 KCXNXXPUZPOGRW-GWCFXTLKSA-N 324.211 3.243 0 40 DGAB Cc1occc1C(=O)NCCc1ccc(OC(F)(F)F)cc1 48354188 VTDYWDZOGGSCBD-UHFFFAOYSA-N 313.275 3.459 0 40 DGAB Cc1ccccc1C[C@H](C)NC(=O)NC[C@H]1COc2ccccc21 568926396 XQKBDWKRWSPEKQ-RDJZCZTQSA-N 324.424 3.401 0 40 DGAB CCCn1nc(-c2ccc(Cl)cc2)cc(C(=O)OCC)c1=O 225965029 WPNAUGOKVRNKNW-UHFFFAOYSA-N 320.776 3.150 0 40 DGAB CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2ccccc2)c1C 44177734 ZRJJDBKKYPRDSS-ZDUSSCGKSA-N 311.385 3.237 0 40 DGAB CCS(=O)(=O)Nc1ccc(N2CCc3sccc3C2)cc1 130057737 NXQMBEBSELMFPE-UHFFFAOYSA-N 322.455 3.072 0 40 DGAB O=C1CCC[C@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12 329258654 YMIPNHCHMFHMOB-IRXDYDNUSA-N 322.408 3.138 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N(Cc1ccsc1)C1CC1 44446563 IZZZOXWDVLOQSK-INIZCTEOSA-N 315.394 3.079 0 40 DGAB c1ccc(Cc2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 49169856 AUOXZKIMOASVKF-KRWDZBQOSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro Cc1cccc(OCC(=O)N[C@@H](C)COc2ccccc2C)c1 222755823 NOCOJVXDBMTYMG-INIZCTEOSA-N 313.397 3.266 0 40 DGAB C[C@@H](NC(=O)c1ccc(C(=O)O)o1)c1nc(C(C)(C)C)cs1 195551745 NFSWXVLRVCPEAF-MRVPVSSYSA-N 322.386 3.223 0 40 DGAB Clc1cnc(NC2CCN(Cc3cccs3)CC2)nc1 195533814 HGDNGCOBFMHOHJ-UHFFFAOYSA-N 308.838 3.268 0 40 DGAB CC1(C)Oc2ccc(NC(=O)NCCC(F)(F)F)cc2O1 96434315 TZBIDGXKEOYNDR-UHFFFAOYSA-N 304.268 3.268 0 40 DGAB C[C@@H]1CN(C(=O)CCCc2ccccn2)[C@@H](c2ccccc2)CO1 96433363 RFIQVSBLRLLTQP-VQIMIIECSA-N 324.424 3.393 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)NCc3cccc(C(=O)O)c3)c12 96480483 UXNXJTYFMKQDIL-UHFFFAOYSA-N 322.364 3.033 0 40 DGAB CC[C@@H](NC(=O)N[C@H](C)Cn1ccnc1)c1cc(F)ccc1F 96419873 SPCMITQCHLXXAM-IAQYHMDHSA-N 322.359 3.000 0 40 DGAB CC[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 90920347 ASTYGFPEHHNYBQ-GOSISDBHSA-N 309.417 3.062 0 40 DGAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1ccc(Br)cc1 95095938 SETIOMOERBJLLR-VHSXEESVSA-N 311.097 3.468 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccc(COC)o2)C12CCCC2 96419387 KLUMXOIETLSVJG-HZPDHXFCSA-N 321.417 3.236 0 40 DGAB COc1cc(CN2CCC[C@H](c3ccnc(C)n3)C2)ccc1F 257249960 JKKMBQNXPPJTKQ-HNNXBMFYSA-N 315.392 3.312 0 40 DGAB O=C(Nc1nc2c(s1)CCCC2)c1cc(-n2cccc2)ccn1 85472815 NUSNDIVBURPUGO-UHFFFAOYSA-N 324.409 3.460 0 40 DGAB Cc1cccc(C)c1NC(=O)N1CC[S@@](=O)C(C)(C)CC1 459307564 OHQFQXWBWNTNRA-OAQYLSRUSA-N 308.447 3.068 0 40 DGAB O=C(C=C1CCCCC1)NCCCN1CCc2ccccc2C1 55992597 IIEQSJUSAHBWSP-UHFFFAOYSA-N 312.457 3.442 0 40 DGAB Cc1noc(Cc2ccccc2NC(=O)NC2CCCCC2)n1 96097078 CGSHCSFRAGVKMP-UHFFFAOYSA-N 314.389 3.423 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H]2CCC23CCOCC3)cc1F 585408312 INBQKYHVMFRMFT-MRXNPFEDSA-N 305.393 3.142 0 40 DGAB Cc1nc2ccccc2n1CC(=O)NCc1ccccc1Cl 5627908 VKQPOJWGUNBYBG-UHFFFAOYSA-N 313.788 3.315 0 40 DGAB Cc1ccnn1CCC(=O)NC1(c2ccc(F)cc2)CCCC1 12143125 QSTAVZGXPZSZFV-UHFFFAOYSA-N 315.392 3.306 0 40 DGAB CC[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1ccc(F)cc1 12199772 DRBZPURZXXRVIK-CQSZACIVSA-N 301.365 3.318 0 40 DGAB Cc1cc(NC(=O)N(Cc2cccs2)C[C@@H]2CCCO2)no1 12863723 YISWGILOMHPPAW-LBPRGKRZSA-N 321.402 3.258 0 40 DGAB CCCOC(=O)c1ccc(Nc2ncccc2C(=O)O)cc1 13090909 ICSKOPXXMSQOMA-UHFFFAOYSA-N 300.314 3.090 0 40 DGAB CCNC(=S)N1CCC(c2nc3ccccc3s2)CC1 13471855 VKMWZBNTODKBFH-UHFFFAOYSA-N 305.472 3.370 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@@H]1COc2ccccc2C1=O 19083214 KWWGDGDZXZJWBV-KBPBESRZSA-N 317.385 3.277 0 40 DGAB O=c1cc(O)c2sc(SCCc3ccccc3)nc2[nH]1 19624529 WNBGZALMFPXQBN-UHFFFAOYSA-N 304.396 3.025 0 40 DGAB C[C@@H]1C=C(OC(=O)c2cccnc2Cl)N(c2ccccc2)N1 153116 UMVLRAYTBTZXLN-LLVKDONJSA-N 315.760 3.147 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2F)N1 34925783 ZZOFBVFNKMNPIE-SJORKVTESA-N 324.355 3.084 0 40 DGAB in-vitro Cc1ccc(C(=O)N(C)CC(=O)Nc2cc(C)ccc2C)cc1 3555404 DLTDIUFJIVQUTJ-UHFFFAOYSA-N 310.397 3.323 0 40 DGAB O=c1c2cc(F)ccc2nc(S)n1Cc1ccc(F)cc1 425290 DRISYQTXVYLNAY-UHFFFAOYSA-N 304.321 3.012 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](OC)c1ccco1 206869615 AMNCWVMBJXOLNM-CQSZACIVSA-N 324.764 3.451 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@H](C)CCC(C)C)c1cccs1 40032266 YZKAVJAWZVXNQY-TZMCWYRMSA-N 310.463 3.256 0 40 DGAB O=c1c2ccccc2nnn1CCOc1ccc2ccccc2c1 40086706 VFVPQKOWVDCLNK-UHFFFAOYSA-N 317.348 3.024 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@@H]1C[C@@H]2CC[C@@H]1C2 100616681 XPRKLRRZRRYZIW-XNRPHZJLSA-N 320.392 3.105 0 40 DGAB CCN(CC)c1ccc(NC(=S)NC(=O)C(C)C)c(C)c1 568411 OFWJZKXAXZTRFV-UHFFFAOYSA-N 307.463 3.310 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@@H]1c1ccc[nH]1 69416835 ONWXMNDOWKPWJM-OAHLLOKOSA-N 324.833 3.335 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 69487988 KBOMCWCBVDKYSY-ROUUACIJSA-N 324.424 3.499 0 40 DGAB CSCc1cc(F)ccc1CNC(=O)Cc1ccccc1O 83992763 YGIIQKVQFWHWTR-UHFFFAOYSA-N 319.401 3.253 0 40 DGAB CC(C)NC(=O)N[C@@H](C(=O)Nc1ccccc1)c1ccccc1 51561174 DWYKSBVYXDQYNZ-MRXNPFEDSA-N 311.385 3.074 0 40 DGAB CCc1cccc(NC(=O)N2[C@H]3CC[C@H]2CN(CC)CC3)c1 101507655 FFMSTZRGRNYVAV-IRXDYDNUSA-N 301.434 3.340 0 40 DGAB O=C(NC(=O)c1ccccc1)OC(C(F)(F)F)C(F)(F)F 3154027 UUTCCYWKTDRYMX-UHFFFAOYSA-N 315.169 3.046 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O 21006736 DIRALWKISYUJLC-UHFFFAOYSA-N 302.374 3.476 0 40 DGAB CN(CCO)Cc1csc2ccc(Br)cc12 338993 JXPVCNGSANTUCF-UHFFFAOYSA-N 300.221 3.088 0 40 DGAB CN(C)C[C@H]1CSCC[C@@]1(O)c1ccc(C(F)(F)F)cc1 347746 ADSAQTUAGOVXJN-UONOGXRCSA-N 319.392 3.208 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2cccc(C)c2)c(OC)c1 365542 MNUQCUFAXOZFRP-UHFFFAOYSA-N 314.337 3.400 0 40 DGAB O=C(CSc1nnc(-c2ccccc2)o1)c1ccc(O)cc1 7227849 SAALTBWJNCLJKY-UHFFFAOYSA-N 312.350 3.417 0 40 DGAB CCc1nnc(NC(=O)COc2ccccc2C(C)C)s1 7347100 COAWMFVZSRXPQS-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB O=C(NCCc1ccccc1F)c1cc(Cl)c2c(c1)OCO2 7898802 ONPWBPNKKSJBLO-UHFFFAOYSA-N 321.735 3.180 0 40 DGAB COCC(=O)Nc1ccc(NC(=O)Nc2ccccc2F)cc1 32779512 UQYYWXYVLPNSQE-UHFFFAOYSA-N 317.320 3.055 0 40 DGAB CCOc1ncccc1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 32745000 HTIJBJHGYVVUPM-LLVKDONJSA-N 318.348 3.119 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2 29900933 DTFWIYUMFKKMPP-SECBINFHSA-N 324.837 3.210 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2)cnn1-c1ccccn1 32816073 ZWKPRWGLPCGXMK-GFCCVEGCSA-N 324.359 3.206 0 40 DGAB CN(C)c1ccc(NC(=O)c2cc(-c3ccccc3)no2)cn1 32913652 PLHKPRHLRICDCU-UHFFFAOYSA-N 308.341 3.055 0 40 DGAB COc1ccc(OC)c(C(=O)COC(=O)c2ccc(C)cc2)c1 2726344 HUMMEUXRLIZGDB-UHFFFAOYSA-N 314.337 3.052 0 40 DGAB COc1ccc(C(=O)N[C@H](C)COc2ccccc2C)cc1F 55693867 HHPOUFYBDRPVPS-CYBMUJFWSA-N 317.360 3.340 0 40 DGAB Cc1cc(C)c(NC(=O)NCCCn2ccnc2C)c(C)c1 47323640 TZFDLFVCMNEQJL-UHFFFAOYSA-N 300.406 3.329 0 40 DGAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C)cc2C)Oc2ccccc21 22390310 GPTXXHGXELSPNP-SFHVURJKSA-N 324.380 3.056 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cc(-c2cccnc2)on1 42256351 PWXOHRWDOXFFPX-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB O=C(c1ccco1)N1CCC(NCc2ccc(Cl)cc2)CC1 42206528 CVGHDOXSHRJDDO-UHFFFAOYSA-N 318.804 3.327 0 40 DGAB Cc1ccc([C@H](NC(=O)C2=COCCO2)c2cccs2)cc1 22885325 CDKGPUSIVXYUPB-INIZCTEOSA-N 315.394 3.150 0 40 DGAB COC(=O)Nc1cccc(NC(=O)N[C@H](C)c2ccccn2)c1 47711063 GDHXTCPOFBKXJB-LLVKDONJSA-N 314.345 3.143 0 40 DGAB Cc1noc(CN[C@H](c2ccc(F)cc2)c2cccs2)n1 42506775 MYCMCUSXCZETRP-OAHLLOKOSA-N 303.362 3.458 0 40 DGAB CCC(CC)(CNC(=O)C1(c2ccc(F)cc2)CCC1)N(C)C 42771822 ZWRPJAGUGVCRNY-UHFFFAOYSA-N 320.452 3.484 0 40 DGAB O=S(=O)(NC1CCCCC1)c1cccc(OC(F)(F)F)c1 24226909 BIWJIVGQKVDSMF-UHFFFAOYSA-N 323.336 3.196 0 40 DGAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1cc(C)c(C)cc1C)C(=O)N2 1320287 WNJBQJOQYMNTPB-FQEVSTJZSA-N 323.392 3.333 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1ccccc1-c1ccccc1 48129077 DMRMGWJJNABRHH-OAHLLOKOSA-N 305.381 3.369 0 40 DGAB COc1ccc2nc(C(=O)N3CCCc4ncccc43)ccc2c1 25673967 BRXXVOHKUKRNEA-UHFFFAOYSA-N 319.364 3.231 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1ccncc1 44896304 ZJYPSVFUIGZUJZ-ZDUSSCGKSA-N 321.380 3.465 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)c(Cl)c1)N1CCOCC1 58331981 PDRFKTYNBFRRDU-UHFFFAOYSA-N 323.824 3.194 0 40 DGAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@H]1c1ccsc1 48374682 FRNPETHFAIUDIV-DOMZBBRYSA-N 320.458 3.107 0 40 DGAB CCO/C=C1\C(=O)N(c2ccccc2F)C(=O)c2ccccc21 2438762 OFNCTBXWTCBUFU-KAMYIIQDSA-N 311.312 3.390 0 40 DGAB CCC(=O)c1ccc(OCC(=O)NCc2cccs2)cc1 3564624 IHNFDBATLKYRCY-UHFFFAOYSA-N 303.383 3.036 0 40 DGAB O=C(c1ccccc1Cl)c1c(O)c2ccccc2oc1=O 13146937 LHRDLQSIOSZKOW-UHFFFAOYSA-N 300.697 3.383 0 40 DGAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccccc1Cl 38790664 JLKADVGKWPHNFW-LBPRGKRZSA-N 309.793 3.146 0 40 DGAB Cc1cccc(C(=O)O)c1NS(=O)(=O)/C=C/c1ccccc1 13464547 IUHSJXHOSLQUNO-ZHACJKMWSA-N 317.366 3.106 0 40 DGAB Cc1nc(CNC(=O)c2sccc2OC(F)F)cs1 69812004 ZKTSPLVDMVGQEX-UHFFFAOYSA-N 304.343 3.044 0 40 DGAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(F)cc1 4468868 BPOCPWBCRSXKJE-IBGZPJMESA-N 324.355 3.109 0 40 DGAB CCO[C@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 65626855 QLKRMLBCPNIESC-DYVFJYSZSA-N 316.376 3.194 0 40 DGAB C[C@](CC(=O)Nc1ccc(F)c(F)c1)(C(=O)O)c1ccccc1 8919154 OHDFXYGMHZPZQL-QGZVFWFLSA-N 319.307 3.336 0 40 DGAB Cc1ccc(NC(=O)C[C@](C)(C(=O)O)c2ccccc2)c(O)c1 8919208 RNOWWLWEZYGJMZ-SFHVURJKSA-N 313.353 3.072 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)N2CCc3cnccc32)c1 96008877 RMYZZJCPOQKERK-UHFFFAOYSA-N 307.397 3.193 0 40 DGAB Cc1ccc(CN2C[C@H](C(=O)Nc3ccccc3C)CC2=O)cc1 7609695 OPMSXOXGLJXIEP-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB CCc1ncc(C(=O)N2CCCCC[C@H]2c2noc(C)n2)s1 96001134 QNBBKLVDQARIBR-NSHDSACASA-N 320.418 3.154 0 40 DGAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cccc2cccnc12 7976738 ONWCVEWUTMSZLT-MRXNPFEDSA-N 318.332 3.475 0 40 DGAB Cc1ccc(-n2nc(C)c(C(=O)N(C)Cc3ccco3)n2)c(C)c1 8036753 RUJICSKPXGVEGJ-UHFFFAOYSA-N 324.384 3.058 0 40 DGAB CCc1nc(CNCCc2cc(F)cc3c2OCOC3)cs1 71857551 XBWDHSLJRGYCMD-UHFFFAOYSA-N 322.405 3.043 0 40 DGAB CCc1ncc(CN(C)Cc2ccsc2C(=O)OC)s1 83830609 VQJAHTKAIBTPKZ-UHFFFAOYSA-N 310.444 3.186 0 40 DGAB Cc1cnc(SCc2nc3ccccn3c2Br)[nH]1 26771306 CLVQEFSCNFBYIR-UHFFFAOYSA-N 323.219 3.421 0 40 DGAB c1csc(CCN2CCC[C@H](c3noc(C4CC4)n3)C2)c1 72299901 OKJWHHOFXJNWKF-ZDUSSCGKSA-N 303.431 3.431 0 40 DGAB O=C(C[C@@H](Cc1ccccc1)c1ccccc1)N1CCC(O)CC1 72297116 YBKADOIJKCEEEF-LJQANCHMSA-N 323.436 3.386 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@H]1O 72292020 NDIBIGAGZBSNOK-MWLCHTKSSA-N 300.811 3.097 0 40 DGAB Cc1ccccc1C(=O)Nc1cccc(C[S@@](C)=O)c1C 72286772 ACAMQDMXUQARME-NRFANRHFSA-N 301.411 3.434 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)sc1C 72297501 WZYJZGRMMHXDNW-LSDHHAIUSA-N 322.474 3.425 0 40 DGAB CC(=O)c1c(F)cccc1N1CCCN(CC(F)(F)F)CC1 75582046 CARNTRRDSOLKAQ-UHFFFAOYSA-N 318.314 3.103 0 40 DGAB O=C1CN[C@@H](c2ccc(Br)cc2)c2ccccc2N1 72314544 DDHINLOENBWQPE-HNNXBMFYSA-N 317.186 3.080 0 40 DGAB O=S(=O)(Nc1c(O)cccc1F)c1ccc2c(c1)CCCC2 72301029 OKUZKMCHXCWCJM-UHFFFAOYSA-N 321.373 3.211 0 40 DGAB O=C(Cc1cccc(Cl)c1)Nc1nc2ccc(Cl)cn2n1 84367677 FWMVDIBEPGMEHE-UHFFFAOYSA-N 321.167 3.217 0 40 DGAB C[C@@H](CCc1ccc(F)cc1)NCc1cccc(C(N)=O)c1 95419657 CFCXJTOLJADYPI-ZDUSSCGKSA-N 300.377 3.036 0 40 DGAB CSc1sc(NC(=O)c2sc3nccn3c2C)nc1C 95449171 GNXRNSRCBUWYNU-UHFFFAOYSA-N 324.456 3.443 0 40 DGAB C[C@@H](C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccsc1 78062856 BPMZIMDJUARDLV-SNVBAGLBSA-N 300.383 3.375 0 40 DGAB Cc1nnc(-c2cccc(C(=O)NC3(c4ccccc4)CC3)c2)o1 73269467 NLOOJNPPZOAFRC-UHFFFAOYSA-N 319.364 3.464 0 40 DGAB CC(C)COC[C@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 73268745 YDOUPWHYTPUFKM-JTQLQIEISA-N 308.403 3.281 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc(C)c(C)cc2C)[C@H](C)C1 78897488 SSAPYPBSSREOKG-AEFFLSMTSA-N 302.462 3.348 0 40 DGAB CCO[C@H](C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 78950847 YQUOCQCPCFTDKD-HTQZYQBOSA-N 310.341 3.154 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 75143220 GVHLKOWQSAITOY-RDTXWAMCSA-N 315.461 3.059 0 40 DGAB CC(C)n1cc([C@@H](C)N[C@@H](C)C(=O)Nc2ccccc2)cn1 89616473 DUDUJDYZJDFNNS-KGLIPLIRSA-N 300.406 3.142 0 40 DGAB CCCC1=NN(C(=O)c2ccccc2C)[C@](O)(C(F)(F)F)C1 408737211 AKSOXQRJFMXBEN-CQSZACIVSA-N 314.307 3.248 0 40 DGAB c1ccc2c(c1)N[C@H](c1cccc3nccnc13)N1CCCN=C21 72342095 UVJMOGOPNYDKGM-IBGZPJMESA-N 315.380 3.206 0 40 DGAB CCCCN1CCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 72219345 CAVHLMCWEMFQRB-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB CCOCCCNc1nc(C(C)C)nc2c(C)nn(CC)c12 72238337 ADAXGEIJQYIFMM-UHFFFAOYSA-N 305.426 3.117 0 40 DGAB CN1CCC[C@@H](c2ccnc(C(=O)N(C)C3CCCCC3)c2)C1 72387122 POJXOKGUCXFOIB-MRXNPFEDSA-N 315.461 3.296 0 40 DGAB c1ccc(CNCc2cc(-c3ccccc3)cn3nnnc23)cc1 72392290 VLJQZICWAAUCAA-UHFFFAOYSA-N 315.380 3.081 0 40 DGAB Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCCC2)n1 72378518 YICCBCOUMHWBJP-QGZVFWFLSA-N 324.428 3.429 0 40 DGAB CC(C)(C)c1nnc(NS(=O)(=O)/C=C/c2ccccc2)s1 83956285 MWDWNDRVNOTZRD-MDZDMXLPSA-N 323.443 3.248 0 40 DGAB Cc1ccncc1C(=O)c1ccc(I)cc1 45029004 VMJAUCBEVDEUKO-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1cc(-n2cnnc2)ccc1-c1cc2ccccc2oc1=O 226280788 RAYWGEVTLMFQTF-UHFFFAOYSA-N 319.320 3.049 0 40 DGAB CC(C)n1cc(C(=O)Nc2ccc(Oc3cnccn3)cc2)cn1 225534735 SZVRWRWQWLGDBP-UHFFFAOYSA-N 323.356 3.299 0 40 DGAB O=C(O)c1ccccc1-c1nc(-c2c(F)cccc2F)no1 89262309 CWTKFITXWBWKMQ-UHFFFAOYSA-N 302.236 3.380 0 40 DGAB CC(C)(C)[C@@H]1CCCN(C(=O)CCCCc2c[nH]nn2)CC1 139353986 HHNHFPYAPLDJMJ-CQSZACIVSA-N 306.454 3.192 0 40 DGAB CCCNC(=S)Nc1ccc(C(=O)OCC)c(Cl)c1 225373451 SDFCHDVHUCWZJA-UHFFFAOYSA-N 300.811 3.213 0 40 DGAB O=c1ccc(-c2ccco2)nn1[C@@H]1CCc2ccccc2N=C1O 40266310 LHTXFXNVGLMNKU-OAHLLOKOSA-N 321.336 3.279 0 40 DGAB CO[C@@H](C)c1nc(CS(=O)(=O)CC2CCCCC2)cs1 96446914 BLPFLKIWLVSREZ-NSHDSACASA-N 317.476 3.346 0 40 DGAB Cc1ccc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccc2)o1 96055355 RAZHYSOHYBRNIU-BPQIPLTHSA-N 300.402 3.069 0 40 DGAB O=C(NC[C@@H]1SCCc2ccccc21)c1cccnc1S 96454677 FERHQSKLLOQTKQ-AWEZNQCLSA-N 316.451 3.131 0 40 DGAB C[C@H](NC1CCN([C@@H]2CCCC[C@@H]2O)CC1)c1cccs1 90525490 BKAVWVJASLENQG-IMJJTQAJSA-N 308.491 3.167 0 40 DGAB O=S(=O)(CCc1ccc(F)cc1)CCc1ccc(F)cc1 95932746 CTWZDSUATKBDFL-UHFFFAOYSA-N 310.365 3.165 0 40 DGAB C[C@@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCCc2ccccc21 95413766 RIBIRRSJWMUGOI-XJKSGUPXSA-N 311.381 3.477 0 40 DGAB Cc1csc(C(=O)N2CCC[C@]2(C)c2nccc(C)n2)c1 257340040 ZEGAWTUISZTIQN-MRXNPFEDSA-N 301.415 3.306 0 40 DGAB C[C@@H](CNC(=O)Cc1cccnc1Cl)Oc1cccc(F)c1 585132045 NGEBTDGWWGXBFC-NSHDSACASA-N 322.767 3.000 0 40 DGAB Cc1cccc(CN2CCC(NC[C@@H]3CCC=CO3)CC2)c1 252482637 DLMIIRSIVIZMFX-IBGZPJMESA-N 300.446 3.242 0 40 DGAB Cc1cc(NC(=O)/C=C/c2ccoc2)ccc1N1CCCC1=O 96103519 VMEYWNAKIXDVPV-QPJJXVBHSA-N 310.353 3.367 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)CN1CC(C)(C)[C@@H]1[C@H]1CCCO1 580380384 HFPFVCLENJKBPG-JZXOWHBKSA-N 324.509 3.207 0 40 DGAB O=C(NCCC(F)(F)F)c1c(F)cccc1Br 96454411 JIRPHFVUWHYDOV-UHFFFAOYSA-N 314.076 3.270 0 40 DGAB COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2)cc1OC 5576156 XVXZROYMCLKJEG-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB CC(C)c1cc(C(F)(F)F)n2nc([C@@H]3CCCNC3)cc2n1 12220410 YRJHCJVKIIYOCV-SNVBAGLBSA-N 312.339 3.339 0 40 DGAB O=C(Nc1cccnc1)Nc1c[nH]c2c(Cl)cccc2c1=O 13565994 GNTPSGYIHWCPJM-UHFFFAOYSA-N 314.732 3.221 0 40 DGAB Cc1ccnc(SC/C=C/CSc2nccc(C)n2)n1 17117992 YBDFVLURDYLCFK-ONEGZZNKSA-N 304.444 3.324 0 40 DGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)[C@H]1CC1(Cl)Cl 19358478 KQCSXAWLGGBTLJ-ZCFIWIBFSA-N 310.083 3.140 0 40 DGAB COc1ccc(OC)c(-c2cc(C(=O)NC3CCCC3)no2)c1 2465614 WBPVNZBGMGSHPE-UHFFFAOYSA-N 316.357 3.031 0 40 DGAB CCCCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1nccn1C 29723291 CTVCKBJFMQOJFA-AWEZNQCLSA-N 320.824 3.262 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(c2ncc(Cl)cn2)CC1 2086928192 CHROKHPTSFNJLL-UHFFFAOYSA-N 324.211 3.271 0 40 DGAB Cc1c(Cl)cccc1NC(=O)/C(Cl)=C(/Cl)C(=O)O 17188632 WVGBXGFPZAZJEF-HJWRWDBZSA-N 308.548 3.361 0 40 DGAB CN(Cc1ccccc1)C(=O)CN(C)[C@H]1CCc2ccccc21 40049890 LEEAENAFPPICDG-IBGZPJMESA-N 308.425 3.264 0 40 DGAB O=C(NCc1cccs1)[C@H]1CCCN(Cc2ccccc2)C1 50026167 SVHZHJMMPMFSTH-INIZCTEOSA-N 314.454 3.277 0 40 DGAB O=C(NC1CCCCC1)C1CCN(C(=O)c2ccsc2)CC1 30804474 AVGABHIRSBAYCW-UHFFFAOYSA-N 320.458 3.049 0 40 DGAB Cc1ccc(C)c(C(=O)CCC(=O)Nc2c(C)nn(C)c2C)c1 30946032 CPXCPLHPYLNNQE-UHFFFAOYSA-N 313.401 3.255 0 40 DGAB O=C(Nc1ccncc1)c1ccc(OCc2cscn2)cc1 17585949 QDOANVIVKDZENX-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB COC(=O)c1sc(NC(=O)c2cc3ccccc3o2)nc1C 7705942 OYXHFNIJNIWZKD-UHFFFAOYSA-N 316.338 3.237 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1N(C)C 46003757 XQWDLPWAARQJFK-PBHICJAKSA-N 319.449 3.469 0 40 DGAB CSc1ccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)cc1 7745761 SXWIQQIJYRBLFC-UHFFFAOYSA-N 321.423 3.412 0 40 DGAB CCn1ccnc1SCC(=O)c1[nH]c(C)c(C(C)=O)c1C 11889575 JVLFVJXFAXFMNW-UHFFFAOYSA-N 305.403 3.026 0 40 DGAB O=C1c2ccccc2-c2cc(NCCCO)nc3cccc1c23 20759511 HIQXANGERKNXHH-UHFFFAOYSA-N 304.349 3.241 0 40 DGAB biogenic O=C(COC(=O)c1cc2c(s1)CCC2)Nc1ccc(F)cc1 2636818 NGQFJEHJSIBBFM-UHFFFAOYSA-N 319.357 3.171 0 40 DGAB COc1ccccc1N1CC(O)=C(c2nc(C)cs2)C1=N 102750608 FPEATVKWTSSZKM-UHFFFAOYSA-N 301.371 3.227 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCNC(=O)C1CCCC1)C2 103163736 LETVHQBZFJREKX-KHYOSLBOSA-N 320.477 3.014 0 40 DGAB O=C(Nc1nc[nH]n1)c1cn(Cc2ccccc2)c2ccccc12 47232282 VWMOUWHDWCEIFL-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB COc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)c(OC)c1 2951904 OSSNAFWGFLBWOB-UHFFFAOYSA-N 314.366 3.065 0 40 DGAB Cc1ccc(CC(=O)NC[C@H](c2cccs2)N(C)C)cc1 24987164 RZVUSHGMHFYZSA-OAHLLOKOSA-N 302.443 3.018 0 40 DGAB Cc1occc1CN(C)C(=O)c1cc2c(C)nn(C)c2s1 56252391 WVODBYPAICKEDX-UHFFFAOYSA-N 303.387 3.117 0 40 DGAB C[C@H](CNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 25633114 JUOQKSPADHGZND-CQSZACIVSA-N 312.388 3.002 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2cccc3nsnc23)c1 35672861 KLMWKCIEMWIBSY-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB O=S(=O)(Nc1cccc(-n2cccc2)c1)c1ccc(F)cc1 58244150 AZFZIDAUWKJQQW-UHFFFAOYSA-N 316.357 3.417 0 40 DGAB C[C@@H](NC(=O)NCCCn1cccn1)c1ccc(Cl)s1 44954181 IZPSXFOEKKONTA-SNVBAGLBSA-N 312.826 3.049 0 40 DGAB CCN(CC)Cc1ccccc1NC(=O)NCC[C@H]1CCCO1 58393666 ZLDRTXRSZIVJPA-MRXNPFEDSA-N 319.449 3.219 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C2CC2)s1 3550967 SFDNEPSWKUNFKP-UHFFFAOYSA-N 309.778 3.330 0 40 DGAB O=C(CCC1CCCC1)Nc1ccc(N2CCOCC2)cc1 3534049 JGMLDJFVFHPCQT-UHFFFAOYSA-N 302.418 3.432 0 40 DGAB Cc1c(C)n(C[C@@H](O)CNC2CCCC2)c2ccc(F)cc12 28297173 KJLZQNSERHDGAY-INIZCTEOSA-N 304.409 3.290 0 40 DGAB CC(C)(C)N1C(=O)C[C@H](C(=O)O)[C@@H]1c1ccc(Cl)c(F)c1 70271593 OCIIVILFDNJYOS-ZANVPECISA-N 313.756 3.252 0 40 DGAB in-vitro C[C@H](NC(=O)c1cccc2ccccc12)C(=O)NC1CCCC1 65624135 OBRWYCIDKVQHNH-ZDUSSCGKSA-N 310.397 3.017 0 40 DGAB CCN(Cc1cccc(F)c1)C[C@H](O)COc1ccccc1 14200890 IIANMIMNKBUXBP-KRWDZBQOSA-N 303.377 3.088 0 40 DGAB CCCCNC(=O)CSc1ncnc2sc3c(c12)CCC3 5848664 YIHFGHGMLIIMLN-UHFFFAOYSA-N 321.471 3.188 0 40 DGAB Cc1ccc([C@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)cc1 8845530 QLOBRUOURNYYHV-SFHVURJKSA-N 319.364 3.266 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1cccs1 7420970 GSARPXXPYGFPQI-LBPRGKRZSA-N 304.415 3.216 0 40 DGAB O=C(C[C@@H]1CCCO1)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 71186510 TWDPFZJNAHCHQI-VHRBIJSZSA-N 313.319 3.247 0 40 DGAB CC(=O)Nc1ccccc1C(=O)Nc1ccc2oc(=O)ccc2c1 9183647 IITSDRLRYHSMSS-UHFFFAOYSA-N 322.320 3.004 0 40 DGAB Nc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccc1 9280323 NJVCXQCITAPQJC-UHFFFAOYSA-N 312.760 3.360 0 40 DGAB Cc1cc(C[C@H](C)NC(=O)Cc2cccc3ccccc23)n[nH]1 84111450 GSRUIWWRVXSHEY-ZDUSSCGKSA-N 307.397 3.161 0 40 DGAB Oc1cccc2c1CC[C@@H]2NC1CCN(c2nccs2)CC1 97036965 ZPIOPFOKDVFYOR-HNNXBMFYSA-N 315.442 3.095 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)c2cccnc2C(F)(F)F)C1 97036913 RRYNJEXIVPQYHV-BDAKNGLRSA-N 304.337 3.114 0 40 DGAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)Cc2cccnc2)CC1 96425777 CQJLCSOSIFLBBN-VJFUWPCTSA-N 316.445 3.210 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc(-n2cccn2)nc1 19910372 DQTDEIGPJPOURB-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COc1ccccc1[C@@H](NC(=O)c1cc[nH]c1C)c1ccccn1 89959165 RHOZNOMJHLVQCM-GOSISDBHSA-N 321.380 3.246 0 40 DGAB C[C@H](c1ccsc1)N1CCN(C(=O)Nc2ccccn2)CC1 97142223 UVIPVCQTPNJHDN-CYBMUJFWSA-N 316.430 3.054 0 40 DGAB c1ccc2oc(CCCN3CCC(c4cn[nH]c4)CC3)nc2c1 97202839 MRGSDDKECSKFJJ-UHFFFAOYSA-N 310.401 3.363 0 40 DGAB FC(F)n1ccnc1CN(Cc1noc2c1CCCC2)C1CC1 95394183 MYAGDXWKXHDVQL-UHFFFAOYSA-N 322.359 3.310 0 40 DGAB COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@@H]1C)c1ccco1 84718095 SPGWKJZZOBCEPK-YLQAJVPDSA-N 314.385 3.200 0 40 DGAB Cc1n[nH]c([C@@H](NC(=O)[C@@H](C)OC2CCCCCC2)C(C)C)n1 95415383 FIOOETZSNRSDGN-DOMZBBRYSA-N 322.453 3.054 0 40 DGAB C[C@@H](CC(=O)N(C)C)N[C@@H](C)c1ccc(-c2ccncc2)cc1 95968809 WXRKGLUVLDENIU-GJZGRUSLSA-N 311.429 3.266 0 40 DGAB COC(=O)[C@@H]1CCCCC[C@@H]1NCc1csc(C2CC2)n1 95941455 RGFHILVGWUHJLI-KGLIPLIRSA-N 308.447 3.232 0 40 DGAB O=C(c1ccc(F)c(F)c1F)N1CCN(c2ccccc2)CC1 28210632 NWNSRRKJDORWCC-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)OCc1ccccc1 78495484 BVUZRTUBVZIRSQ-QGZVFWFLSA-N 324.380 3.426 0 40 DGAB Cc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1cccnc1 20143467 DYNQGYLLTJVATG-UHFFFAOYSA-N 308.337 3.395 0 40 DGAB Cc1cc(N2CCOC[C@H]2Cc2ccccc2)nc(C2CC2)n1 89599402 WTKVPXOCJGYMIH-QGZVFWFLSA-N 309.413 3.110 0 40 DGAB CCOc1cc(-c2nc3ccc(Cl)cn3c2N)ccc1O 408980062 UGTBMGZITKFWEQ-UHFFFAOYSA-N 303.749 3.341 0 40 DGAB O=C(c1ccco1)N1CCC[C@H]1c1nc(-c2ccccc2)no1 35319055 SJBFSCRXZQVRQZ-ZDUSSCGKSA-N 309.325 3.307 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 36635555 SJDZCZMNSFPHLI-HNNXBMFYSA-N 312.344 3.132 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)N2CCC(C)CC2)n1 33415041 HOTXVWACQMZUGL-UHFFFAOYSA-N 313.401 3.236 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H]2CC(c3ccccc3)=NO2)cc1 33145085 PIDOADIIMORDBI-QGZVFWFLSA-N 308.337 3.021 0 40 DGAB C[C@H]1CN(Cc2c(C(C)(C)C)[nH]c3ncccc23)C[C@H](C)O1 72393637 LSQWDHBMIYNWHR-STQMWFEESA-N 301.434 3.470 0 40 DGAB CCn1nc(C)c(CCC(=O)N2CCc3ccccc3C2)c1C 72240492 NXCFLZGCILPRIB-UHFFFAOYSA-N 311.429 3.037 0 40 DGAB CC(C)(C)OC(=O)NCc1ccc(N2CCCCCC2)nc1 72225465 BTYMCDKMRJMPHX-UHFFFAOYSA-N 305.422 3.487 0 40 DGAB CC[C@@](O)([C@H]1CCCCN1C(=O)OC(C)(C)C)C(F)(F)F 72208723 AFRKPSLKWVQPJF-ZWNOBZJWSA-N 311.344 3.479 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCC[C@@H](C)C2)cc1C 223538192 QMRLFIRUHNYJSB-MRXNPFEDSA-N 316.489 3.474 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccccc3C(F)(F)F)=NN[C@@H]2C1 228924617 ZJDLHPOKCHFHHP-DGCLKSJQSA-N 310.319 3.387 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3F)c2)n1 47318272 ULHANLCGFGHGKP-UHFFFAOYSA-N 323.327 3.137 0 40 DGAB Cc1ccnc(NC(=S)N[C@H](C)COc2ccccc2)c1 225784611 ZGVRIKPVKONKCN-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB CN1CCC(N2CC[C@H](c3nc4cc(Cl)ccc4o3)C2)CC1 49168823 ICBZCYZSCLQTLI-LBPRGKRZSA-N 319.836 3.365 0 40 DGAB biogenic,in-vitro CCOC(=O)[C@H](Sc1nccn2ccnc12)c1ccccc1 193560307 DZOSZVMKTBKNIT-CYBMUJFWSA-N 313.382 3.126 0 40 DGAB Fc1cccc(-c2cc(N3CCNCC3)nc3ccccc23)c1 43808062 GVAGDELDRWCOEH-UHFFFAOYSA-N 307.372 3.451 0 40 DGAB NC(=O)[C@@H]1CCCCc2c1[nH]c1ccc(Br)cc21 221548561 ZWJOJOHVUPFYRM-SNVBAGLBSA-N 307.191 3.226 0 40 DGAB Cc1nnc(NC(=O)c2cc(-c3ccc(F)cc3)c[nH]2)s1 49027574 AQNMXTGMIUEMEA-UHFFFAOYSA-N 302.334 3.233 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@H]1CC=CCC1)N1CCC1=O 575443135 OZFDAWBXTMFCSM-UGSOOPFHSA-N 323.396 3.064 0 40 DGAB CCOc1ccc(CNC(=O)COc2cccc(C)c2C)cc1 222819109 KKZYLGCBLLKSDA-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1cccc(CCC(=O)c2ccc(N3CCOCC3)cc2)n1 199765637 CQZBQMSVFZQOHJ-UHFFFAOYSA-N 310.397 3.042 0 40 DGAB Cc1csc([C@H](C)NC(=O)N[C@@H](C)CCc2cccn2C)n1 96439755 JIKNHLDFZKBTIW-AAEUAGOBSA-N 320.462 3.172 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 97234451 BLJQFKPTUVGTGJ-YGRLFVJLSA-N 317.393 3.012 0 40 DGAB Cc1nscc1C(=O)N(C)c1ccccc1C(=O)OC(C)C 96501700 WHCSLJYPUYJRLP-UHFFFAOYSA-N 318.398 3.293 0 40 DGAB COC(=O)c1ccc(N2CCC[C@@H]2c2cccc(C)n2)nc1C 95453316 SJOYXAMITSWTIU-MRXNPFEDSA-N 311.385 3.222 0 40 DGAB C[C@H](NC(=O)NC[C@@H](C)Oc1ccccc1F)c1ccccn1 96437616 QXTPMKATPMOZLL-OLZOCXBDSA-N 317.364 3.048 0 40 DGAB O=C(NCc1ccco1)NCc1ccccc1N1CCCCC1 96495988 VETSAABYGALGGV-UHFFFAOYSA-N 313.401 3.269 0 40 DGAB Cc1csc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)n1 96107488 GZHOSZYZMAJCEG-RDJZCZTQSA-N 322.474 3.002 0 40 DGAB Clc1ccc(CNCCCn2cccn2)c2ncccc12 96473015 XXJHUBDBPLNKIZ-UHFFFAOYSA-N 300.793 3.265 0 40 DGAB CC1(c2ncc(Cl)s2)CCN(C2CCOCC2)CC1 257312593 UOSLZCAOXFHDSV-UHFFFAOYSA-N 300.855 3.329 0 40 DGAB Cc1ccnc([C@@H]2CCN(C(=O)CCC3CCCCC3)C2)n1 257233433 GPFPKWBGDBZACL-MRXNPFEDSA-N 301.434 3.461 0 40 DGAB CNc1nccc([C@@H]2CCCCN2Cc2cccc(OC)c2)n1 257341085 ZIUJHZZJDALZEH-KRWDZBQOSA-N 312.417 3.254 0 40 DGAB COc1cccc([C@@H](CNC(=O)CSC2CCCC2)OC)c1 96389816 HBXAZPNYRZNRKM-MRXNPFEDSA-N 323.458 3.175 0 40 DGAB CC(C)(C)OC(=O)O[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1F 575629055 RLKUBAPNXUHMBK-QWRGUYRKSA-N 319.373 3.286 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCCCC1 44388088 LLGMJCLXOYUOMP-CYBMUJFWSA-N 322.430 3.156 0 40 DGAB Cc1occc1-c1nc(CC(=O)Nc2ccccc2Cl)no1 69663080 FETSEIKBXJJUEO-UHFFFAOYSA-N 317.732 3.473 0 40 DGAB Cn1ccc2c(C(=O)Nc3cc(C(=O)O)ccc3F)cccc21 97036163 RHPLJDHQNBFSFB-UHFFFAOYSA-N 312.300 3.268 0 40 DGAB COC(=O)[C@@H](N[C@H](C)c1cc2ccccc2o1)c1cccnc1 97111335 BAXGUVMMOXFJHE-PXAZEXFGSA-N 310.353 3.393 0 40 DGAB CN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H]1CCCc2ccccc21 89335029 FVXCXZCICHFYMF-QGZVFWFLSA-N 323.392 3.494 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)cc1Cl)C1[C@@H]2CCC[C@@H]12 107509671 HWMYSZGFQCWORT-BREBYQMCSA-N 314.212 3.189 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c(OC)c1 14683221 CDUNAOPCNBAQNV-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB COc1ccc(C(=O)Nc2ccc(NC(C)=O)cc2)cc1F 17302518 ARCFKTPGULEDNF-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)C)ccc21 10972190 PCHJNZASEYZJBO-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB O=C(NC1CC1)c1ccccc1NC(=O)c1c(F)cccc1F 9256579 HCLQFQXDOAPTLM-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB CCc1nc2ccccc2n1CC(=O)N[C@@H]1CCc2ccccc21 16472264 AOQXXAUIKHMPEY-MRXNPFEDSA-N 319.408 3.402 0 40 DGAB C/C=C/C(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 5612755 MBLMHZRECVJIRI-NSCUHMNNSA-N 301.314 3.059 0 40 DGAB CC[C@H](C)c1ccc(S(=O)(=O)N(C)c2ccccn2)cc1 40030665 ZVXYYABHKOMSFX-ZDUSSCGKSA-N 304.415 3.420 0 40 DGAB CC[C@@H](C(=O)NCCc1cn2cccc(C)c2n1)c1ccccc1 2960992 YVANOAUTHIFDGX-GOSISDBHSA-N 321.424 3.495 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)o1)c1cccc(Cl)c1 4107505 XFTGCGDTYKOWIJ-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1ccno1 6586232 IIGDQWYPOSFUSS-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccccn1 16850009 LANNFJIFGIYVNM-UHFFFAOYSA-N 324.409 3.141 0 40 DGAB O=C(NCC[C@H](CCO)c1ccsc1)NCc1cccs1 585146850 CKPKHBYCIXYGQQ-GFCCVEGCSA-N 324.471 3.165 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Sc3ccc(N)cc3)C2=O)cc1 103699096 DFYJXSAQDPAWFY-HNNXBMFYSA-N 312.394 3.001 0 40 DGAB Cc1c(C(=O)Nc2ccc3c(c2)CCO3)oc2c1C(=O)CCC2 40132890 HHZRJUFAKIBMJW-UHFFFAOYSA-N 311.337 3.294 0 40 DGAB O=C(c1cc2ccccc2nc1N1CCCC1)N1C[C@H]2CC[C@H]1C2 100781696 UCRMRVHYKPMGET-HOCLYGCPSA-N 321.424 3.460 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2c(F)cccc2F)cc1 40525872 JPKFMCBBZGHDHX-AWEZNQCLSA-N 306.312 3.128 0 40 DGAB CCC(C)(C)NC(=O)[C@H]1CCCN1C(=O)Nc1cccc(C)c1 1343027 MHLYLINMYQPKRZ-OAHLLOKOSA-N 317.433 3.296 0 40 DGAB c1ccc([C@@H]2CO[C@H]3CC[C@H](n4nnc5ccccc54)N32)cc1 1392889 WMDJEWDGKBLINT-BZSNNMDCSA-N 306.369 3.123 0 40 DGAB O[C@H](c1cccnc1)[C@H](CCc1ccccn1)c1ccccn1 1562925 LSZHEKVMJRHLKW-IEBWSBKVSA-N 305.381 3.322 0 40 DGAB CC(C)c1nc2oc3c(=O)[nH]cnc3c2c2c1COC(C)(C)C2 2340404 DPJKBXXOGCADBZ-UHFFFAOYSA-N 313.357 3.039 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1 3147960 FVCRUGIGUNGFLO-UHFFFAOYSA-N 310.397 3.073 0 40 DGAB Cc1ccc(NC(=O)COc2ncnc3ccccc23)cc1F 3266622 VXFZZVNFOHQJBP-UHFFFAOYSA-N 311.316 3.095 0 40 DGAB O=C(CSc1nnc2[nH]c3ccccc3c2n1)c1ccccc1 3327125 USXMMIRAJVSOAP-UHFFFAOYSA-N 320.377 3.481 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1 3474035 LPFAWQAYXLDPPD-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB Cc1cc(N2CCc3ccccc32)nc(-n2nc(C)cc2C)n1 4331211 DPPQSBHXPFOGRQ-UHFFFAOYSA-N 305.385 3.282 0 40 DGAB C[C@H]1CCCN(c2ncnc3c2cnn3-c2ccc(F)cc2)C1 4354613 GPJWZRNZSUFHOY-LBPRGKRZSA-N 311.364 3.191 0 40 DGAB O=C1C/C(=C/c2cccnc2)C(=O)N1c1ccc(F)c(Cl)c1 5451063 UDAXGTJELVQHRQ-WDZFZDKYSA-N 316.719 3.221 0 40 DGAB CCOc1ccc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1 5728106 LTIOOLOVDREZLY-UHFFFAOYSA-N 308.337 3.179 0 40 DGAB CCOc1ccc(OCCC(=O)NCc2ccc(F)cc2)cc1 6639547 CFVFOQLCFUEBDQ-UHFFFAOYSA-N 317.360 3.310 0 40 DGAB O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccc(F)cc1 6927929 WQHQAQVHEREJDF-UHFFFAOYSA-N 321.311 3.427 0 40 DGAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)nn(C)c2C)cc1 6975276 IRWSSSAUJGULPK-NSHDSACASA-N 321.446 3.351 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(F)ccc1C 7418399 HYQYUNMMGWNCFA-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB COc1ccc(Nc2nc3ccccc3c3nnc(C)n23)cc1 7500037 RMDIIDRYXBMZHI-UHFFFAOYSA-N 305.341 3.338 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1 8041386 WHKLEDXICBNHBI-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2C)cc1 8190915 UMESIMBGBAIBGF-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CCC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959800 IVFBWNVWMXGUCG-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB O=C(Nc1ccccc1OC(F)F)c1cn2ccccc2n1 9314274 RHGAUZGPHNKDGQ-UHFFFAOYSA-N 303.268 3.188 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccno2)sc2c1CCCC2 9625124 VPODRLSZHKNGDN-UHFFFAOYSA-N 320.370 3.044 0 40 DGAB COc1ccc(-c2cc(=O)c3cc(NC(C)=O)ccc3o2)cc1 9659949 QDTGSNDKQDXXSM-UHFFFAOYSA-N 309.321 3.427 0 40 DGAB biogenic CCOc1ccc(NC(=O)C(=O)Nc2cc(C)ccc2C)cc1 9912432 RMRVFEYNVPDAFY-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB CCCc1cc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)sc1C 12045680 DWHLLFSGIJNYMC-SNVBAGLBSA-N 311.447 3.469 0 40 DGAB CCOc1ccccc1CNC(=O)C(=O)c1c[nH]c2ccccc12 12412472 LNDYIQAIJYACJB-UHFFFAOYSA-N 322.364 3.066 0 40 DGAB c1nc(N2CCN(Cc3ccsc3)CC2)c2ccsc2n1 12747939 ZUPXTPWTJZBPEP-UHFFFAOYSA-N 316.455 3.075 0 40 DGAB COC(=O)c1ccccc1N(C)C(=O)c1cc(F)cc(F)c1 13008462 CEXDAPMVIYGSLI-UHFFFAOYSA-N 305.280 3.028 0 40 DGAB COC(=O)c1ccc(CSc2nnc(-c3ccc[nH]3)o2)cc1 14119856 BCSWESPFYMEBON-UHFFFAOYSA-N 315.354 3.144 0 40 DGAB Cc1ccn2c(=O)cc(COc3ccc(Cl)cc3)nc2c1 14737891 JCOJYCPRLLENER-UHFFFAOYSA-N 300.745 3.235 0 40 DGAB Cc1ccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)cc1 15913511 UNTVCKOLYIPMBN-UHFFFAOYSA-N 323.348 3.072 0 40 DGAB C[C@@H](c1cc(O)n2nc(-c3ccc(F)cc3)cc2n1)n1ccnc1 19458210 SLQJWNYYFLWPAT-NSHDSACASA-N 323.331 3.047 0 40 DGAB O=C(O)c1cc(NC(=O)c2cccnc2Cl)ccc1Cl 20143543 GIDIGFIIKYLCMK-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB CC(C)[C@@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 22880881 SLCBTVUNELTXMB-CQSZACIVSA-N 317.433 3.091 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C(C)C)c2)cn1 24131679 ZDIHYPKGXPPJPB-UHFFFAOYSA-N 312.369 3.309 0 40 DGAB Cc1ccc(O)c(C(=O)NCc2ccccc2CN2CCCC2)c1 24189503 PHOPKANMWPRHDN-UHFFFAOYSA-N 324.424 3.226 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2Cn2cccn2)c(C)o1 24624311 BTUFKBKWGXTIHC-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB COc1cc(C)c(CN(C)Cc2c(C)noc2C)cc1OC 24744345 CFIYFNLKVXJKQD-UHFFFAOYSA-N 304.390 3.249 0 40 DGAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1)c1cccs1 24987280 DGPBRCJFMIWMKW-ATWMFIQVSA-N 315.394 3.182 0 40 DGAB C1=Cc2ccccc2[C@@H](CNC[C@@H]2COc3ccccc3O2)O1 26895350 IGNDBFYZORRAOJ-DNVCBOLYSA-N 309.365 3.158 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@H]3C)cc1 26897357 VLHKJWOJQBGFAX-CHWSQXEVSA-N 317.410 3.278 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cl)cn1)n1ccc(C(F)(F)F)n1 27973882 BDNGGFARGSGYQK-SSDOTTSWSA-N 318.686 3.150 0 40 DGAB C[C@H](Sc1noc(-c2cccnc2)n1)C(=O)c1ccccc1 28526998 GBCXYLBGWCTFLS-NSHDSACASA-N 311.366 3.495 0 40 DGAB Cc1ccsc1C(=O)NCCCc1ccc(N(C)C)cc1 29976577 ZVDGWZZCCAGTAF-UHFFFAOYSA-N 302.443 3.485 0 40 DGAB O=C(Nc1ccc(SC2CCCC2)cc1)c1ccc(O)nn1 30184186 FXBXPTCMMNMVHK-UHFFFAOYSA-N 315.398 3.469 0 40 DGAB CCc1nnc(NC(=O)Cn2ccc3c(Cl)cccc32)s1 31810417 OXTNTSZEMOUMIF-UHFFFAOYSA-N 320.805 3.347 0 40 DGAB CC(C)CNC(=O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C 31871183 UMJBTSCPJNDLLD-JTQLQIEISA-N 309.793 3.181 0 40 DGAB Cc1ccc(-c2nc(COc3ccccc3C(N)=O)cs2)o1 32315954 ZYJJJSLRRZBFOH-UHFFFAOYSA-N 314.366 3.389 0 40 DGAB Cc1cccnc1NC(=O)CCc1c(C)nn(CC(C)C)c1C 32841591 LGVMBMKWWFLNPI-UHFFFAOYSA-N 314.433 3.431 0 40 DGAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)no2)cc1 33147696 CRUPDESNTJDMTG-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB O=c1cc(CO)occ1OC(c1ccccc1)c1ccccc1 34267559 LBWZZBYWQMDIKW-UHFFFAOYSA-N 308.333 3.301 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)C[C@@H]1c1ccccc1 35571166 NBEQHZYOZVQJCY-UONOGXRCSA-N 305.374 3.459 0 40 DGAB Cc1cc(C(=O)Nc2cc(C)n(C(C)C)n2)c2c(C)noc2n1 36614007 XWVAEVXXYCLQJK-UHFFFAOYSA-N 313.361 3.178 0 40 DGAB CC(C)N(Cc1ccccn1)C(=O)c1cc(Br)c[nH]1 37845614 DFIUNNALRUBKIU-UHFFFAOYSA-N 322.206 3.223 0 40 DGAB CC(C)(C)OC(=O)CCCCNC(=O)OCc1ccccc1 39130229 VWLHJMBZIRZECB-UHFFFAOYSA-N 307.390 3.425 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)CNc1ccc2c(c1)CCO2 40071589 SLEQEZWFRKCJMS-HNNXBMFYSA-N 324.424 3.171 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1ccccc1CN1CCCC1 41971701 OAAAWHJIJFEUCN-MDZDMXLPSA-N 307.397 3.329 0 40 DGAB Cc1cccc2[nH]cc(S[C@@H](CC(C)C)C(=O)NCCO)c12 43197819 FTNIWEHRMFLJKE-AWEZNQCLSA-N 320.458 3.092 0 40 DGAB in-vitro CO[C@@H]1CCCC[C@@H]1OC(=O)c1oc2c(c1C)C(=O)CCC2 44734925 DPGRFGJAHOOCEV-OLZOCXBDSA-N 306.358 3.221 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)C3CCC3)cc2F)C[C@H](C)O1 46068217 HJVQVFHXAIFRHD-RYUDHWBXSA-N 306.381 3.178 0 40 DGAB Cc1nnc(COC(=O)c2cc(C(C)C)nc3ccccc23)o1 48261262 FSUVSLGOZIFDJQ-UHFFFAOYSA-N 311.341 3.407 0 40 DGAB CC[C@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccccc1 48353971 VMZHTWSAQSNGLX-RBUKOAKNSA-N 314.473 3.485 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCSCc1ccsc1 48355510 DYOAWTKCPAMDBC-UHFFFAOYSA-N 309.431 3.479 0 40 DGAB C[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccc(-n2cncn2)cc1 48683503 DMOBTBUAEYXRBY-CQSZACIVSA-N 324.432 3.070 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc3oc(C)nc3c2)cc1 49677169 ILDJCTPJSROQSY-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB Cc1cccc(N2CCN([C@H](C)c3nc(C4CC4)no3)CC2)c1 51287617 WYYKOAUABZOFMQ-CQSZACIVSA-N 312.417 3.139 0 40 DGAB Cc1c(F)cccc1NC(=O)Nc1ccc(S(C)(=O)=O)cc1 51354567 LZGBJEDNCCUXOD-UHFFFAOYSA-N 322.361 3.182 0 40 DGAB C[C@H](c1cccc(Cl)c1)N(C)CC(=O)NCc1ccco1 52162140 NWOSEWFKBLQXFZ-GFCCVEGCSA-N 306.793 3.242 0 40 DGAB Clc1cncc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 54551910 YTEFOOVQEWDURI-LBPRGKRZSA-N 317.776 3.243 0 40 DGAB Cc1ccccc1-c1noc(CN2CCC(c3cc[nH]n3)CC2)n1 58227072 QNIPHJOUGDLJHR-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB CCOc1cc(/C=C/c2ncc(C(=O)O)s2)ccc1OC 58344346 BZVNZYIGLJIITL-FNORWQNLSA-N 305.355 3.419 0 40 DGAB CCCN(C)C(=O)Nc1ccccc1OCCN(CC)CC 58406175 UNRNMWMPEZVMLP-UHFFFAOYSA-N 307.438 3.281 0 40 DGAB O=C(c1ccc(-c2nc3ccccc3s2)cc1)N1CCOCC1 59842885 DYHVLRNYMCLCDO-UHFFFAOYSA-N 324.405 3.436 0 40 DGAB CCOc1cc(C(N)=O)ccc1OCc1cccc(Cl)c1 62170129 BVHDBFNWPQQMCQ-UHFFFAOYSA-N 305.761 3.417 0 40 DGAB CCOC(=O)c1nc(-c2cccc(N3CCCC3=O)c2)cs1 65585160 ZMSNGJLEBNOGFD-UHFFFAOYSA-N 316.382 3.114 0 40 DGAB COc1cccc(CNC(=O)Nc2ccc3oc(=O)ccc3c2)c1 65752745 QHJNGHZOYPCNTN-UHFFFAOYSA-N 324.336 3.123 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(F)c1 69818694 PCBWMVXKQUZMGM-QKVFXAPYSA-N 305.374 3.102 0 40 DGAB Cc1cc(CNC(=O)N[C@@H](c2ccccc2C)C(C)C)no1 69932331 JRLAZYJHDROPEU-MRXNPFEDSA-N 301.390 3.488 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(C)s2)c1 72333988 XJOJRGIHZJNGDK-UHFFFAOYSA-N 303.383 3.185 0 40 DGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@H]2CCCNC2)n1 72345879 BTYTYPUKIUVWLY-NSHDSACASA-N 322.334 3.212 0 40 DGAB Cc1nonc1NC(=O)c1cc2cc(C(F)(F)F)ccc2n1C 74727200 QBYAFGARLHORQW-UHFFFAOYSA-N 324.262 3.141 0 40 DGAB CC(C)c1nc([C@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)no1 76044561 OZYHUHLQUPZCEG-LLVKDONJSA-N 308.769 3.152 0 40 DGAB CCN(Cc1ccccc1Cl)c1cc(-n2ccnc2)ncn1 77189624 FPCOTYFFSWOUGN-UHFFFAOYSA-N 313.792 3.342 0 40 DGAB Cc1noc(C)c1NS(=O)(=O)c1ccccc1C(F)(F)F 84025640 KPZFZYHMZXAVNS-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 93469249 OOQQMKFXNFEJAQ-OCCSQVGLSA-N 306.793 3.099 0 40 DGAB O=Cc1ccc(Br)cc1N1CCC(F)(F)CC1 95081336 TVDUBNAXFJEVFQ-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB C[C@@H](N[C@@H]1CCc2c(F)cccc21)c1ccc(-n2cnnn2)cc1 95421148 PECKWAPXQZQAJY-KZULUSFZSA-N 323.375 3.140 0 40 DGAB CCN(Cc1cccs1)C(=O)[C@H](C)[C@@H](N)c1ccccc1 95965554 UMTRBIKZTWMGPA-CZUORRHYSA-N 302.443 3.433 0 40 DGAB C[C@H]1CN(c2ccc(N[C@@H]3CCCOC3)cc2F)C[C@@H](C)O1 95983189 RKSYTGPUJSFSOB-VNHYZAJKSA-N 308.397 3.030 0 40 DGAB C[C@H]1C[C@H]2CN(C(=O)CCc3ccc(Cl)cc3)CC[C@H]2O1 96043626 VZLTUUVUXIFNQY-DUVNUKRYSA-N 307.821 3.299 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)s1 96055730 XNICTNRBYVBVJY-LSDHHAIUSA-N 318.467 3.498 0 40 DGAB c1ccc(O[C@@H]2COC3(CCN(c4cccnc4)CC3)C2)cc1 96073201 YNEPHINJUMWMAU-SFHVURJKSA-N 310.397 3.289 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1ccc(OC(F)F)c(F)c1 96434145 NDPIMPUUVIITBH-JTQLQIEISA-N 318.295 3.070 0 40 DGAB CCc1cc(NC(=O)N[C@@H](c2ncc(C)s2)C2CC2)n(C)n1 96434939 SSZDUCHGRMEJGZ-CYBMUJFWSA-N 319.434 3.020 0 40 DGAB C[C@H](NC(=O)[C@H]1CCCOC1)c1ccc(-c2ccncc2)cc1 96444844 GSELMMLKKJPGCS-KSSFIOAISA-N 310.397 3.352 0 40 DGAB Cc1nc2c(s1)[C@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 96476814 UCKITJSSOUWCIV-CMPLNLGQSA-N 319.396 3.055 0 40 DGAB COCCOC[C@@H]1CCN(c2c(C)c(C)nc3ccccc23)C1 97085974 POQYNAHPHGLEEG-MRXNPFEDSA-N 314.429 3.341 0 40 DGAB COc1ccc(OC)c(CC(=O)N(C)[C@@H](C)c2ccco2)c1 97168254 DWEUDSOTMIAVDW-LBPRGKRZSA-N 303.358 3.059 0 40 DGAB CCN(CCO)C(=O)c1csc(-c2ccc(C(C)C)cc2)n1 97177176 XTRAWRVZWDNNEL-UHFFFAOYSA-N 318.442 3.388 0 40 DGAB O=C(O)C[C@H](NC(=O)/C=C/C1CC1)c1ccc(Cl)c(F)c1 97231174 UFIXDGWROLAAAU-YIALFULDSA-N 311.740 3.077 0 40 DGAB C[C@H](N[C@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 97234807 KERVYLVYOCMPNI-IUCAKERBSA-N 314.501 3.339 0 40 DGAB Nc1c(Br)c(Cl)nc(Cl)c1Br 98175244 CFMFQWWRTRGZFZ-UHFFFAOYSA-N 320.799 3.496 0 40 DGAB CC(C)(C)CC(=O)N[C@H]1CC[C@H](NC(=O)OC(C)(C)C)CC1 100809840 DAEMECXKQMKXCS-BETUJISGSA-N 312.454 3.375 0 40 DGAB COc1cccc2s/c(=N\C(=O)c3ccc(C)s3)n(C)c12 102008150 IUFMHMAIZZPUNC-NXVVXOECSA-N 318.423 3.359 0 40 DGAB O=C(c1ccc2c(c1)COC2)n1cccc/c1=N\C1CCCCC1 104125975 CMBONMDOULWKFR-XUTLUUPISA-N 322.408 3.440 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@@H]2OCC[C@@H]2C)c2cccnc2)cc1 108119526 MOABRCJVRGZOLA-ZYSHUDEJSA-N 324.424 3.215 0 40 DGAB Cc1ccc(NC(=O)CC(F)(F)F)cc1C(=O)N(C)C(C)C 193383518 IQZAZGUDVLRTRR-UHFFFAOYSA-N 316.323 3.366 0 40 DGAB CCCN(Cc1nnc(C2CC2)o1)[C@@H]1C[C@@H](OCC)C1(C)C 195530745 JDOZCPLEYWKYGK-ZIAGYGMSSA-N 307.438 3.363 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 224600339 ICHMLGRFWRSRGJ-CABCVRRESA-N 313.397 3.382 0 40 DGAB COc1ccc(N(C)C(=O)c2cnn(Cc3ccccc3)c2)cc1 225889095 RHTVQRLAJMPGKK-UHFFFAOYSA-N 321.380 3.217 0 40 DGAB Cc1nc([C@H]2CCCN2Cc2cccs2)cc(N(C)C)n1 257232978 GNESSASXWIGDDW-OAHLLOKOSA-N 302.447 3.250 0 40 DGAB Cc1nc([C@@H]2CCN(C(=O)c3ccccc3)C2)c2sccn12 257265898 MATWJNHEETUXDZ-CQSZACIVSA-N 311.410 3.334 0 40 DGAB Cc1nc2ccccc2n1C1CCN(C(=O)c2cc[nH]c2)CC1 279852828 UEOBWLMLVFVBRK-UHFFFAOYSA-N 308.385 3.150 0 40 DGAB CCn1c(SCCCc2cnoc2)nnc1-c1ccco1 521394958 GRZNSIQVYFYEJH-UHFFFAOYSA-N 304.375 3.271 0 40 DGAB O=C(O)c1ccccc1CCN1CCc2c([nH]c3ccccc23)C1 583999525 NFZSXTBXNQMKOW-UHFFFAOYSA-N 320.392 3.467 0 40 DGAB CC(C)OCC(=O)Nc1nsc(-c2ccccc2Cl)n1 585124430 CRWUUSOOEJHJEU-UHFFFAOYSA-N 311.794 3.222 0 40 DGAB Clc1ccccc1CN1CCC[C@@H](COc2ncccn2)C1 1775995174 GHILAQFQRLVFEW-CQSZACIVSA-N 317.820 3.421 0 40 DGAB CSc1cccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889175176 KYUNNWQUXRWMKE-UHFFFAOYSA-N 316.455 3.351 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101357381 JLMLLJGVUDQKAI-NCOADZHNSA-N 323.392 3.177 0 40 DGAB C[C@H]1Oc2ccccc2N(CC(=O)c2cccc(Cl)c2)C1=O 1328492 TVMZMSUHALPILK-LLVKDONJSA-N 315.756 3.337 0 40 DGAB Clc1cccc(C(Nc2nncs2)Nc2nncs2)c1 1590497 MFYRHMLCOUFXFA-UHFFFAOYSA-N 324.822 3.266 0 40 DGAB CCCc1noc(CN(Cc2ccc(F)cc2F)C2CC2)n1 52076065 QTCHLFXYNUTOCG-UHFFFAOYSA-N 307.344 3.465 0 40 DGAB O=C(COc1cccc(Cl)c1)NCCCc1ccccc1 2630975 ADDLWCXYLDCGGI-UHFFFAOYSA-N 303.789 3.468 0 40 DGAB CNC(=O)c1ccc(OCc2ncc(-c3ccccc3)o2)cc1 32783803 YLQQWAXDOQVAJV-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB Cn1cc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c(C(F)(F)F)c1 96006711 DMICFMROWQJBNF-MFKMUULPSA-N 300.324 3.449 0 40 DGAB Cc1nnc(S/C(=C\c2ccccc2OC(C)C)C(=O)O)o1 7603752 RGRQGBWVRCTPRB-JYRVWZFOSA-N 320.370 3.383 0 40 DGAB O=C(c1ccc(COc2ccc3c(c2)CCC3)o1)n1cccn1 2767300 RFLURCZUGRVKQW-UHFFFAOYSA-N 308.337 3.232 0 40 DGAB Cc1cn2c(CC(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)csc2n1 103413921 GJYBZBRJBONUST-OSFYFWSMSA-N 317.458 3.188 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2ccccc2Cl)cc1 23038732 JJCDMIGLCAOARO-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB CNC(=O)[C@@]12CC[C@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 100617729 SKUOWORXAYFSPD-WOJBJXKFSA-N 323.440 3.322 0 40 DGAB O=C(NCc1ccoc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 47087484 LBODLSMGVJJUKB-INIZCTEOSA-N 316.357 3.159 0 40 DGAB CCC[C@@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 24016148 CCFAIXWPTOFUOQ-QGZVFWFLSA-N 321.384 3.185 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccsc1 47165939 SVVLGZKDLQGFQA-YPMHNXCESA-N 324.446 3.325 0 40 DGAB COCCN1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 55504857 BWRNTYPAPOLKHM-AWEZNQCLSA-N 317.429 3.293 0 40 DGAB O=C1NCCCC[C@@H]1Sc1nc2ccccc2n1C(F)F 26417255 IJNQLPWKHXNWJF-NSHDSACASA-N 311.357 3.192 0 40 DGAB Cc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1 20490679 TVIRGJHNYOZOTA-UHFFFAOYSA-N 310.397 3.080 0 40 DGAB CCC(=O)CSc1nnc(NCc2ccc(F)cc2)s1 58291188 PJXJTYKNHZRSBH-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)o1 44951243 RESQXFRBMBCMIC-JSGCOSHPSA-N 321.446 3.313 0 40 DGAB O=C(c1ccc(Cn2cccn2)cc1)N1CCc2ccccc21 10642144 MEBIPDYNHQKBGC-UHFFFAOYSA-N 303.365 3.134 0 40 DGAB COc1cc(-c2ccccc2)sc1C(=O)NC[C@H]1CCCO1 48169528 RILMFZDBWYZYIN-CYBMUJFWSA-N 317.410 3.333 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)c2cc(C)oc2C)c1 3318695 CZYUVTKYPRYQQE-UHFFFAOYSA-N 301.342 3.309 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@@H](C)O1 12821602 CUPQGNMMQZLRKD-CHWSQXEVSA-N 310.397 3.362 0 40 DGAB Cc1ccccc1-c1nnc(-c2ccc(C(=O)N(C)C)cc2)o1 12851229 GUOISRGFWHHUIZ-UHFFFAOYSA-N 307.353 3.414 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1 3489911 FXAUWCVRHNKWIX-AWEZNQCLSA-N 311.381 3.283 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)[C@H]1COc2ccccc2O1 3547880 DQCUXQFAQHMFKJ-CQSZACIVSA-N 307.708 3.258 0 40 DGAB COc1cccc(CCC(=O)NC2CCCCCC2)c1OC 8304177 VMKMYQWIXQIYEW-UHFFFAOYSA-N 305.418 3.475 0 40 DGAB COc1ccc(C(=O)Sc2nnc(-c3ccco3)o2)cc1 408533552 SXVYRCKDTCGNQP-UHFFFAOYSA-N 302.311 3.271 0 40 DGAB O=C(CCc1ccccc1Cl)N1CCCC[C@@H]1C1OCCO1 69513464 FUAAIMBWQKJJNR-OAHLLOKOSA-N 323.820 3.027 0 40 DGAB Cc1nnc(N2CCC(OCc3ccc(F)cc3)CC2)s1 91668642 PKZKXLCSUZAHBY-UHFFFAOYSA-N 307.394 3.171 0 40 DGAB CCc1cc2c(CSc3nccn3C)cc(=O)oc2cc1O 6370150 VQWFDWCAWINYEG-UHFFFAOYSA-N 316.382 3.087 0 40 DGAB CS(=O)(=O)CCOc1ccc(Cl)cc1NC1CCCC1 92169819 GTFJEKWBHQQDEK-UHFFFAOYSA-N 317.838 3.118 0 40 DGAB CCS(=O)(=O)c1ccc(C(=O)N(C)CC2CCCCC2)cc1 65585618 ATNYCXFHAMVJBI-UHFFFAOYSA-N 323.458 3.133 0 40 DGAB C[C@H](N[C@@H](C)[C@@H](C)n1cccn1)c1nnc(-c2cccs2)o1 69974081 LWSZXDTYQYYYLZ-SDDRHHMPSA-N 317.418 3.295 0 40 DGAB COC(=O)c1ccc(COc2ccc(-c3nnco3)cc2)cc1 5429286 GKFOMDFKNUEJOD-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66771382 HZOGHQCXXBZSQS-GOEBONIOSA-N 313.397 3.478 0 40 DGAB COCc1ccccc1NC(=O)c1cncn1-c1ccccc1 83914821 YNTNQYWKFBOECR-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB CN(C(=O)c1ccc(Cn2cccn2)o1)c1ccc(F)c(F)c1 83867990 WNRMHQHVNDTJMT-UHFFFAOYSA-N 317.295 3.079 0 40 DGAB O=C(c1ccc(Cl)nc1)N1CCc2[nH]c3ccccc3c2C1 9899837 MAXATJHRVXKYPU-UHFFFAOYSA-N 311.772 3.415 0 40 DGAB CCOc1c(F)cccc1C(=O)N(C)[C@@H](C)c1ccccn1 74725006 RLYGEQNJAGXPFS-LBPRGKRZSA-N 302.349 3.453 0 40 DGAB Cc1ccncc1NC(=O)N[C@H](C)C[C@@H](O)c1cccs1 89275364 JTXPZBKHEFQXJC-DGCLKSJQSA-N 305.403 3.085 0 40 DGAB C[C@@H](C(=O)OC(C)(C)C)N(C)c1ncnc2cc(Cl)ccc12 75093132 LPIFFYDJKCKGRZ-JTQLQIEISA-N 321.808 3.450 0 40 DGAB CCn1cc(C(=O)NCc2ccc(C)cc2)c(=O)c2ccccc21 22234360 MVKYEZVGUNBZKJ-UHFFFAOYSA-N 320.392 3.260 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N(C)Cc2ccc(C)cc2)cc1 30869087 MRBKVMMQOPSCLS-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB COc1ccc(NC(=O)c2snnc2-c2ccccc2)cc1 36358628 KCIPESPHPIZIKB-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCOc1cc(C(=O)OC)cc(Cl)c1OCc1cccnc1 216845392 RIOKNPHCDMHSQL-UHFFFAOYSA-N 321.760 3.499 0 40 DGAB Cc1nc2cc(NC(=O)c3cc(-c4ccoc4)[nH]n3)ccc2n1C 525731480 WYZBEMDUNPHIAP-UHFFFAOYSA-N 321.340 3.117 0 40 DGAB CCn1cc(C(=O)N[C@@H](C)c2ccc(-c3ccncc3)cc2)cn1 74295641 VTXKTFKFNWACMY-AWEZNQCLSA-N 320.396 3.456 0 40 DGAB CC(C)[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCS1 72836460 OECWCTVOJDXNPS-CQSZACIVSA-N 321.421 3.449 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@H]1CC[C@H](O)C1)c1ccccc1 189776628 YMGOETLNDBSKLR-XIRDDKMYSA-N 304.434 3.234 0 40 DGAB COc1cc(/C=C(\C)c2n[nH]c(-c3ccccc3O)n2)ccc1O 44974346 ZCKPOCCVKDZQMT-PKNBQFBNSA-N 323.352 3.452 0 40 DGAB biogenic COc1ccccc1CCCNC(=O)COc1cccc(C)c1 222753966 XXMRLCJRPFEYPF-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccc(OC)c(C[C@H](Sc2ccccc2)C(=O)O)c1 225116091 HDDOHCASTVINNR-INIZCTEOSA-N 318.394 3.492 0 40 DGAB O=C(NCCc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225363649 UAJCFXIUSXCMEV-UHFFFAOYSA-N 323.392 3.211 0 40 DGAB COC(=O)c1nc2cc(Cl)ccn2c1NCc1ccccc1 49549781 SJPXVZCGEJNXKF-UHFFFAOYSA-N 315.760 3.386 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1cc(C)ccn1 225551876 RUMHCKFNFVWQJZ-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 222771935 GWZBXWCOEGKAMM-CVEARBPZSA-N 314.458 3.456 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C 222779795 BLSLRQPQWUCVPF-CVEARBPZSA-N 314.458 3.029 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C1 222282791 CIYSUZIGBKLEOQ-LBPRGKRZSA-N 300.402 3.179 0 40 DGAB CC(C)CO[C@@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 581889736 JWODMTKXVUGRRM-OAHLLOKOSA-N 317.385 3.378 0 40 DGAB Cc1ccc(CN2CCc3ncnc(-c4ccoc4)c3CC2)o1 96255155 KFWUNNNJNMAPIW-UHFFFAOYSA-N 309.369 3.239 0 40 DGAB Cc1nc(N2CCCC2)nc2c1CN(Cc1cccs1)CC2 96253824 CXJPZONHVGRTQU-UHFFFAOYSA-N 314.458 3.005 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@H]2c2cccs2)no1 245237273 HSAKZHBGZCDLTC-RYUDHWBXSA-N 305.403 3.209 0 40 DGAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@H]1c1cccnc1 248108503 GMEVBHTUBJWWKI-PVAVHDDUSA-N 321.424 3.447 0 40 DGAB C/C(=C\C(=O)OCc1ccc[n+]([O-])c1)c1ccccc1Cl 584908923 LRFWKTMWKPHGIG-FMIVXFBMSA-N 303.745 3.120 0 40 DGAB COC(=O)CCCc1nc(-c2[nH]c(C)c(C(C)=O)c2C)cs1 252494695 OBWRIVPCSSUQPQ-UHFFFAOYSA-N 320.414 3.453 0 40 DGAB Cc1cc(CC2CCN(C(=O)c3c(C)noc3C)CC2)ccn1 257231049 GEZKJBVYYAFMSG-UHFFFAOYSA-N 313.401 3.090 0 40 DGAB N[C@@H]1CCC[C@@H](Oc2ccc(F)cc2Oc2ccccc2)[C@@H]1O 299850751 MGVYOEJVPPMTOX-QGPMSJSTSA-N 317.360 3.238 0 40 DGAB Cc1ccc(CC(=O)N[C@@H]2CCCOc3ccc(F)cc32)cn1 53364683 WHSURNJMHUNGNO-MRXNPFEDSA-N 314.360 3.102 0 40 DGAB COCc1cccc(C(=O)N2CCC[C@@H](c3nccs3)C2)c1 67047607 HYRWQUBSLUEFTO-OAHLLOKOSA-N 316.426 3.309 0 40 DGAB Cc1nc(CNC(=O)N[C@@H](c2cccs2)C(C)(C)C)no1 73756957 IRIUAACSLPYMBV-LBPRGKRZSA-N 308.407 3.026 0 40 DGAB Cn1cc(C(=O)N2CCc3ccccc32)c(-c2cccs2)n1 11922532 QHSCZKWFQDLREN-UHFFFAOYSA-N 309.394 3.352 0 40 DGAB O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)C1CCC1 12337238 HTLZAILGTVESDG-UHFFFAOYSA-N 312.457 3.099 0 40 DGAB CCCNC(=O)c1cnn(-c2ccccc2F)c1C(F)(F)F 32755380 YHFSANAQBALNLZ-UHFFFAOYSA-N 315.270 3.170 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1ccc(Br)s1 39048150 BLHXUDVEGUCOPJ-UHFFFAOYSA-N 322.183 3.307 0 40 DGAB COc1cccc2cc(-c3nc(O)c4ccccc4n3)c(=N)oc12 1775968691 LHZHQJSCTSSWOK-UHFFFAOYSA-N 319.320 3.237 0 40 DGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)Nc1cccs1 575614209 PNGRDDWBRGZNNO-LBPRGKRZSA-N 318.427 3.417 0 40 DGAB CCC1=NN(C(=O)c2ccccc2)[C@@](O)(c2ccc(OC)cc2)C1 68248 RIFZEAXSOLRWMP-IBGZPJMESA-N 324.380 3.152 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100394153 OVDMYHCDGWWYAV-ZNIXKSQXSA-N 305.761 3.110 0 40 DGAB Cc1noc(CCCC(=O)N2CCC[C@H]2c2cccs2)n1 40530045 MMRFVYJNCQCTIX-LBPRGKRZSA-N 305.403 3.126 0 40 DGAB O=C(Cc1csc(-c2ccncc2)n1)NCc1ccccc1 31868108 LWTRURZWCKMKPI-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB CN1CCN(CC[C@@]2(c3ccccc3)CCOC(C)(C)C2)CC1 20589744 SBJATNWFTLTAFO-HXUWFJFHSA-N 316.489 3.151 0 40 DGAB CC(C)C(=O)Nc1cccc(-c2nc3ccccc3c(=O)o2)c1 89138 ZWCWTOMXQFQEDN-UHFFFAOYSA-N 308.337 3.450 0 40 DGAB biogenic CC(=O)c1c[nH]c(C(=O)Nc2cc(F)cc(N3CCCC3)c2)c1 69508880 VGLRQPFHKYHWLL-UHFFFAOYSA-N 315.348 3.209 0 40 DGAB CCC(CC)[C@@H](NC(=O)CCn1ccnn1)c1cccs1 69533155 DLMNQHOYHNKADS-OAHLLOKOSA-N 306.435 3.023 0 40 DGAB CSc1ccccc1NC(=O)[C@H](C)OC(=O)C1CCCC1 32766776 LSFQAMRDARSDSS-NSHDSACASA-N 307.415 3.469 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2c(C)noc2C(C)C)cc1 32738061 CXXGVZCQGMLSCJ-UHFFFAOYSA-N 302.330 3.284 0 40 DGAB Nc1ccc(S(=O)(=O)c2ccnc3cc(Cl)ccc23)cc1 6140601 YYFUUSITWJQBLL-UHFFFAOYSA-N 318.785 3.303 0 40 DGAB O=C(N[C@@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccccc1 6514655 UOQJIVSXCQDZMH-AWEZNQCLSA-N 321.785 3.273 0 40 DGAB CC[C@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 479299 DCWACZOALPWDNU-ZETCQYMHSA-N 312.218 3.079 0 40 DGAB CN1CCCC[C@H]1CCSc1nccc(C(F)(F)F)n1 32903558 NYWGOPNGTHEIPN-JTQLQIEISA-N 305.369 3.462 0 40 DGAB O=C(/C=C/c1cccs1)Nc1ccccc1N1CCOCC1 8726041 YOBRTLWFSDQFCR-BQYQJAHWSA-N 314.410 3.237 0 40 DGAB Cc1csc2nc(COc3ccc(F)cc3Cl)cc(=O)n12 21946586 FNIIPQZNINTJSB-UHFFFAOYSA-N 324.764 3.436 0 40 DGAB CC(C)OC(=O)C[C@@H](NC(=O)C(C)C)c1ccccc1Cl 21972077 FQGAKKTXKPQMSK-CQSZACIVSA-N 311.809 3.495 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)[C@H]2C[C@@H]2c2ccc(C)s2)cc1 69629619 AZYFXVSOHGMMJX-HRCADAONSA-N 315.438 3.318 0 40 DGAB Cc1cnn(C(=O)[C@H](C)n2nc(C(F)(F)F)c(Cl)c2C)c1 2777814 AEZPLUPDSHNFPB-QMMMGPOBSA-N 320.702 3.270 0 40 DGAB Cc1ncc(CN(C)C(=O)C2(c3ccc(F)cc3)CC2)s1 46774812 HIKMKOLAULBWKG-UHFFFAOYSA-N 304.390 3.281 0 40 DGAB CC(C)N1CCC[C@@H]1CC(=O)NCC(C)(C)c1cccc(F)c1 89885194 NQTMTDXHHZDIMY-QGZVFWFLSA-N 320.452 3.482 0 40 DGAB Cc1cc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)o1 23384582 REWUBWRNGNLGGK-GOSISDBHSA-N 313.397 3.482 0 40 DGAB O=C(NCc1ccccc1)c1nc(-c2c[nH]c3ccccc23)no1 12389957 UNZOUABICWTDTJ-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB C[C@@H]1CN([C@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 20009118 VWNPDOBODKGLFJ-GIPNMCIBSA-N 303.233 3.102 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)c(F)c1 12548127 NFENZOAXHZCHLA-VIFPVBQESA-N 301.296 3.332 0 40 DGAB COc1ccc([C@H](C)NC(=O)NCc2ccccc2)cc1F 25079620 DZOQINCNBMSNIA-LBPRGKRZSA-N 302.349 3.395 0 40 DGAB Cc1nc(NC(=O)NC[C@@H]2CCO[C@H]2c2ccccc2)oc1C 75491736 VFFCQLUXYGUHKL-GJZGRUSLSA-N 315.373 3.191 0 40 DGAB CN(Cc1cc(F)cc(C(F)(F)F)c1)Cc1cnn(C)c1 119708688 UQTDOLSYGPUMAJ-UHFFFAOYSA-N 301.287 3.210 0 40 DGAB CC(C)OC(=O)[C@@H](C)Sc1nnc2ccc3ccccc3n12 1924207 LRECQBVRACTCBM-LLVKDONJSA-N 315.398 3.315 0 40 DGAB Cc1cc(NC[C@@H]2Cc3ccccc3O2)nc(-c2ccncc2)n1 57826518 YXNCYMABWGBFQV-INIZCTEOSA-N 318.380 3.263 0 40 DGAB C[C@@H](SCc1cccc(C(N)=O)c1)c1nc(C2CC2)no1 89913637 AESILNBNJQMGSA-SECBINFHSA-N 303.387 3.040 0 40 DGAB O=C(CC1CCCC1)Nc1cccc(CN2CCOCC2)c1 58170907 GDUAAFNIQQSOIP-UHFFFAOYSA-N 302.418 3.038 0 40 DGAB NC(=O)c1ccc(CSCC(=O)c2c[nH]c3ccccc23)cc1 75584316 WQTQVJQGSFMYEZ-UHFFFAOYSA-N 324.405 3.383 0 40 DGAB CCn1ccnc1S[C@H](C)C(=O)c1ccc(OC)c(OC)c1 58218398 KGOCXKGDBVLNBV-LLVKDONJSA-N 320.414 3.284 0 40 DGAB COC[C@@H](NC(=O)N[C@@H](C)c1nc(C)cs1)c1ccc(C)o1 76094142 QRXHEJLYPFFUJP-NWDGAFQWSA-N 323.418 3.101 0 40 DGAB CCO[C@@H](C)C(=O)N(Cc1ccc(OC)cc1)c1ccncc1 76019120 OYTAANQFQCHROS-AWEZNQCLSA-N 314.385 3.048 0 40 DGAB CC(C)(C)c1ccc(CCNC(=O)NC2CCC(O)CC2)cc1 36391197 HDQNMFQEDRSMSL-UHFFFAOYSA-N 318.461 3.129 0 40 DGAB CC(=O)c1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 12692801 OKFSXTUYJIGYNQ-UHFFFAOYSA-N 311.337 3.189 0 40 DGAB C[C@H]1CN(C)c2ccccc2N(C(=O)c2cn3ccccc3n2)C1 76040994 FLXYDNZVUIZIOB-AWEZNQCLSA-N 320.396 3.067 0 40 DGAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2cccnc2)cc1 76067439 ZUHACZKDAKOHJJ-LJQANCHMSA-N 324.424 3.254 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 48387113 KWODINHKJAFPLW-AWEZNQCLSA-N 300.402 3.283 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)c1cnc2c(c1)c(C)nn2C 48300487 YUVABADUKYNRAY-UHFFFAOYSA-N 320.396 3.178 0 40 DGAB C[C@H](NCC(=O)Nc1ccccc1Br)c1ccco1 7800131 CLZDVPKLKHUNSG-JTQLQIEISA-N 323.190 3.331 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccsc1 7927077 KZGBYAMHQZDCLJ-LBPRGKRZSA-N 304.415 3.216 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccccn1 13005872 HGAXMNDYZJSIOU-UHFFFAOYSA-N 323.377 3.392 0 40 DGAB Cc1ccc(CN2CCNC(=O)C[C@@H]2c2ccccc2)c(C)c1 92075836 MSIOIUOIXDKCOX-LJQANCHMSA-N 308.425 3.367 0 40 DGAB O=C1NC2(CCCC2)C(=O)N1Cc1ccc(Cl)c(Cl)c1 5293119 DYHOAFRKWFIXIX-UHFFFAOYSA-N 313.184 3.358 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)cc1F 6335532 XNVUFPBFXZFIIZ-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB Cc1ccc([C@H](NC(=O)CN2CCCC2)c2cccs2)cc1 14085186 IFWHTVMEJCZNJA-SFHVURJKSA-N 314.454 3.358 0 40 DGAB COc1ccc(N(C)C(=O)c2cc(Cl)c(Cl)n2C)cn1 65514396 TUBKCTKCPJQKLH-UHFFFAOYSA-N 314.172 3.012 0 40 DGAB COc1ccccc1-c1c(NC(C)=O)n(C)c2ccccc2c1=O 5352953 MQOMIQCOLDFYHI-UHFFFAOYSA-N 322.364 3.173 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)[C@H]1CCS(=O)(=O)C1 14186522 UGNISSRYUABJCH-ZDUSSCGKSA-N 323.458 3.307 0 40 DGAB CC(C)c1nc(CCNC(=O)N[C@@H](C)c2ccncc2)cs1 69350192 VIHVRSHFZCAHJK-LBPRGKRZSA-N 318.446 3.264 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)NCC1(c2ccc(F)cc2)CC1 69350888 RIYNADBIVJGKMX-NSHDSACASA-N 316.376 3.382 0 40 DGAB O=C(O)c1ccc(-n2nncc2C23CC4CC(CC(C4)C2)C3)cc1 6550364 RIZHRRQNCVNGOB-UHFFFAOYSA-N 323.396 3.433 0 40 DGAB C/C=C/C=C/C(=O)NCC(=O)Nc1cc(Cl)ccc1Cl 8314934 JTYXHQJDCONNNC-MQQKCMAXSA-N 313.184 3.180 0 40 DGAB CCc1cc2c(CN3CCCC[C@@H]3C)cc(=O)oc2cc1O 6610449 NYQUFHHQFHQQFY-LBPRGKRZSA-N 301.386 3.435 0 40 DGAB O=C(NCCc1coc(-c2ccccc2)n1)c1cccc(F)c1 69493962 QTWNPEBISGFKOH-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1C(C)C 69919175 GWHJIDCJBZGZIL-MRXNPFEDSA-N 314.433 3.360 0 40 DGAB O=C1OCCN1c1cccc(CNCc2cc(F)ccc2F)c1 66974107 CHSKKPIKHMUKMG-UHFFFAOYSA-N 318.323 3.211 0 40 DGAB O=C(/C=C/c1cn(Cc2ccccc2)nn1)NC1CCCCCC1 15582698 ICXXCKBHJYOROS-OUKQBFOZSA-N 324.428 3.179 0 40 DGAB C[C@@H]1CCCCN1S(=O)(=O)c1ccccc1Br 7377702 IAMLGHHIDGPQGY-SNVBAGLBSA-N 318.236 3.012 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ccccc2Cl)C1 67801159 VMBMRJCGCMAPDV-CYBMUJFWSA-N 310.825 3.439 0 40 DGAB Cc1ccccc1CN(C)Cc1cc(=O)oc2cc(O)ccc12 7420779 BYVLVLIJDFRCME-UHFFFAOYSA-N 309.365 3.439 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)N[C@H]1c2ccccc2C[C@H]1O 69585412 RCKBOFJWJQHGHO-CABCVRRESA-N 320.751 3.259 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(CCC(=O)O)cc1 8907498 RATBQHXQCFHKJY-UHFFFAOYSA-N 313.353 3.355 0 40 DGAB COc1cccc(C(=O)N(CC(C)(C)C)CC(F)(F)F)n1 84169823 CQJNQECMIMYHHZ-UHFFFAOYSA-N 304.312 3.141 0 40 DGAB CC[C@@H](NC(=O)NCC[C@H]1CCCCO1)c1c(C)noc1C 97055277 IIUCSIBSHPBTLQ-ZIAGYGMSSA-N 309.410 3.001 0 40 DGAB Cc1cc(F)ccc1NC(=O)N[C@@H](CCO)c1cccs1 72294162 QCQKWZWEWAZCGN-ZDUSSCGKSA-N 308.378 3.441 0 40 DGAB CCOC(=O)c1cc2cc(Br)cnc2nc1Cl 71788974 YBJKOMHKVBMRIF-UHFFFAOYSA-N 315.554 3.222 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)OCC(=O)c1ccc[nH]1 9515085 LQHXLNMCHGZUFK-UHFFFAOYSA-N 312.300 3.050 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNCc1ccccn1 9613855 AKLJRWWCPPRGJC-UHFFFAOYSA-N 310.376 3.313 0 40 DGAB Cc1ccc(CC(=O)N(CC2CCC2)CC(F)(F)F)cn1 79019238 VHAHUSWTVUVJGV-UHFFFAOYSA-N 300.324 3.124 0 40 DGAB CN(C)c1ncccc1N(C)C(=O)c1ccc(C(F)(F)F)cc1 75106191 WBNSSANMTAKEMT-UHFFFAOYSA-N 323.318 3.443 0 40 DGAB C[C@@H](CNc1ccccc1)NC(=O)Nc1ccc(Cl)cn1 75110318 FHTHHMBNGZYFQC-NSHDSACASA-N 304.781 3.357 0 40 DGAB CC(C)(C)SCCCC(=O)N1CC(=O)Nc2ccccc21 89694475 UFCYCUUVMYHQDC-UHFFFAOYSA-N 306.431 3.284 0 40 DGAB Cc1cnc(CN(C)[C@@H]2CCN(CCCc3ccccc3)C2)o1 89702285 YATSBHYHBUAXLK-GOSISDBHSA-N 313.445 3.122 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@H]3C)CC2=O)c1C 36755266 ROHZCJKZGUEITD-ZBFHGGJFSA-N 314.429 3.057 0 40 DGAB O=C(Nc1ccccc1Cl)c1ccnc(O[C@H]2CCOC2)c1 182166319 HLADFNGVZWZIFZ-LBPRGKRZSA-N 318.760 3.155 0 40 DGAB Cc1cc(Br)ccc1-c1ccc(CCC(N)=O)o1 216924251 CRUAMMVATCTHEJ-UHFFFAOYSA-N 308.175 3.435 0 40 DGAB CCCOc1ccc(NC(=O)c2ccc(OC)c(N)c2)cc1 216875346 MLXRUEJAFBCRST-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB O=C(NCc1ccco1)c1ccc2[nH]c(C(F)(F)F)nc2c1 72243371 DLDLMHIDPUHXBD-UHFFFAOYSA-N 309.247 3.105 0 40 DGAB O=C(Nc1ccccc1NC(=O)c1cccs1)c1cnccn1 38678737 PKPWBDAGRZCSKY-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB CCCc1nc(N2CCC(C)CC2)c2c(n1)c(C)nn2CC 72237843 WHWJJYYATGAKGT-UHFFFAOYSA-N 301.438 3.343 0 40 DGAB CCOc1ccccc1CNC(=O)COc1ccccc1Cl 38756299 MEQFAGNULOUEBQ-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB CC(=O)N1CCC(c2ccnc(N3CCC(C)CC3)c2)CC1 72364757 WYOYVBKADWGGIR-UHFFFAOYSA-N 301.434 3.044 0 40 DGAB CC(C)N1C[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 46114939 SDXFCRYNEHDNQE-ZDUSSCGKSA-N 302.418 3.180 0 40 DGAB O=C(CCCc1cc(Cl)sc1Cl)NCc1ncc[nH]1 87353050 JQJPXGHYOILATM-UHFFFAOYSA-N 318.229 3.417 0 40 DGAB O=C(c1cccc2ncccc12)N1CCNC[C@@H]1c1ccccc1 325452230 XZAYNAJFCNSRDQ-LJQANCHMSA-N 317.392 3.022 0 40 DGAB O=c1ccc(F)cn1Cc1csc(-c2ccc(F)cc2)n1 190754514 XCHVWBPVIGLMLK-UHFFFAOYSA-N 304.321 3.298 0 40 DGAB CN(C(=O)c1cn2c3c(cccc3c1=O)CCC2)c1ccccc1 225860236 UJQKZALVAQSWBX-UHFFFAOYSA-N 318.376 3.224 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)cc(N)cc2Cl)cc1 227144541 FNIMGKDKXDSPQE-UHFFFAOYSA-N 310.806 3.340 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCC2CCCCC2)cc1C 225205426 LMJCLQIVYRZRLR-UHFFFAOYSA-N 311.447 3.171 0 40 DGAB CCS[C@H]1CCC[C@H]1NC(=O)c1cccc(NC(=O)CC)c1 96450606 VYMPMWHDHFZIIE-CABCVRRESA-N 320.458 3.439 0 40 DGAB CC(C)(CN1CCC(OC[C@@H]2CCOC2)CC1)c1ccccc1 97373048 OLGYQXYNOIVVEN-QGZVFWFLSA-N 317.473 3.482 0 40 DGAB Cc1c(C(=O)Nc2cccc3[nH]ccc23)sc2nc[nH]c(=O)c12 95479293 CBRCUGKVVZSXDN-UHFFFAOYSA-N 324.365 3.027 0 40 DGAB CCO[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 96241674 ZRJQGKGCUGUYHW-MAUKXSAKSA-N 319.420 3.430 0 40 DGAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1sccc1C)C2 96229798 ZFPVMYDGCQPGNO-KRWDZBQOSA-N 320.458 3.064 0 40 DGAB Cc1ncc(CN2CCO[C@@H](c3ccco3)C2)n1-c1ccccc1 93841520 FXUQXTOFZUVOAI-LJQANCHMSA-N 323.396 3.347 0 40 DGAB COCCC(=O)N[C@@]1(C)C[C@H](C(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257208471 BMHHDHSXPUIPSF-HBPKQKSZSA-N 311.466 3.148 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2c(C)oc3c2CCCC3)C1 257311378 UJENIPNNWPSSKA-ZDUSSCGKSA-N 313.401 3.128 0 40 DGAB Cc1csc([C@@H]2COCCN2CC2Cc3ccccc3C2)n1 585085036 NPTBIDPZNWHDKN-KRWDZBQOSA-N 314.454 3.240 0 40 DGAB c1cncc(OCC[C@@H]2CCOC23CCN(C2CCC2)CC3)c1 253588735 QEQMZIWZLZDQDT-MRXNPFEDSA-N 316.445 3.274 0 40 DGAB O=C(NCCc1ccccc1)c1ccc(-c2cncs2)nc1 257244322 IKUDKLYLAGBJJN-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB CC[C@H](NC(=O)Cc1cccc(C(=O)O)c1)c1cccs1 262104657 HWBNAOBZEHQPBK-ZDUSSCGKSA-N 303.383 3.256 0 40 DGAB CCn1/c(=N\C(=O)c2ccco2)sc2cccc(OC)c21 97551157 UVKCOEIXIUQWNT-FOCLMDBBSA-N 302.355 3.065 0 40 DGAB O=S(=O)(Nc1c(Cl)cccc1Cl)c1cncc(F)c1 390835045 BRJOXUKRKOAAJA-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB CO[C@@H](CNC(=O)/C=C/c1cccs1)c1cccc(F)c1 96387995 ZNBZITSJJDGYBX-KIUWMYQTSA-N 305.374 3.404 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1ccc(-n2cncn2)c(F)c1 56084978 VXZMNMOSGRUBDS-DAFODLJHSA-N 314.345 3.120 0 40 DGAB CCC[C@H](C)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 12533677 TTYSVUXZVDIUTF-ZDUSSCGKSA-N 323.868 3.467 0 40 DGAB COc1cc(O)c(OC)c2c1C(=O)C[C@@H](c1ccccc1)O2 14807134 JPDGNPJTSCOMQE-ZDUSSCGKSA-N 300.310 3.116 0 40 DGAB biogenic CCCCc1ccc(NC(=O)N2CCC[C@H](CC(N)=O)C2)cc1 153288367 PWLIPYBHLWLHLK-OAHLLOKOSA-N 317.433 3.149 0 40 DGAB COC(=O)[C@H](NC1CCSCC1)c1ccc(Cl)c(F)c1 154688948 PWLIZGSHTJPGKX-CYBMUJFWSA-N 317.813 3.178 0 40 DGAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 226301778 WANYFWKVFBBMSE-CHWSQXEVSA-N 314.385 3.087 0 40 DGAB CC(C)(C)C(=O)NCc1ccc([C@@H](O)c2ccccc2)s1 207968654 LJOYEWCWPSKFMG-HNNXBMFYSA-N 303.427 3.492 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1 45973 XEUJCUUVWDOVQY-VZUCSPMQSA-N 313.353 3.364 0 40 DGAB biogenic,in-vitro COC(=O)c1cc(NC(=O)c2ccc(Cl)o2)c(F)cc1F 31028386 VICKONROLSWUST-UHFFFAOYSA-N 315.659 3.250 0 40 DGAB O=C(c1ccccc1)C1CCN(C[C@H](O)c2ccccc2)CC1 40487743 FMMURWOQSJRIOQ-IBGZPJMESA-N 309.409 3.315 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccccc1F 40544225 RLPFKOWTDXQVTL-NSHDSACASA-N 311.316 3.367 0 40 DGAB Cc1ccc2nc(CNc3cc(Cl)ccc3F)cc(=O)n2c1 11723968 UOTXECZFBLLMQE-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB O=C(CSc1nccn1C1CC1)Nc1ccc2c(c1)CCC2 11892614 YQCRVWODKDMBKD-UHFFFAOYSA-N 313.426 3.438 0 40 DGAB CN(C)CCN(C)C(=O)[C@@H](c1ccccc1)C1CCCCC1 1710798 MQXDQFOZJJEPAG-SFHVURJKSA-N 302.462 3.371 0 40 DGAB CCN(CC)CCCNc1cc(OC)cc2ccc(OC)nc12 1873652 LZPCPSXNCLLWIZ-UHFFFAOYSA-N 317.433 3.396 0 40 DGAB CCCc1nnc(NC(=O)c2ccc(OC)c(Cl)c2)s1 20981247 VQRKWDSDBUVETA-UHFFFAOYSA-N 311.794 3.405 0 40 DGAB Cc1ccc([C@]2(C)NC(=O)N(Cc3cccc(Cl)c3)C2=O)o1 60346122 MEWMNDBFWAHXSZ-INIZCTEOSA-N 318.760 3.209 0 40 DGAB CC(C)Sc1nc(N)c(S(=O)(=O)c2ccccc2)s1 4290461 UQHXEZBHUIHZAS-UHFFFAOYSA-N 314.457 3.059 0 40 DGAB N#CNc1nc(/C=C/c2ccccc2)nc(-c2ccccc2O)n1 21581099 WUFYSMAJHMYCQG-ZHACJKMWSA-N 315.336 3.308 0 40 DGAB CCc1nnsc1C(=O)Nc1nc2c(s1)CCCCC2 32885735 GWCVGOFAEPAITQ-UHFFFAOYSA-N 308.432 3.078 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 32920840 MGKKEDGEYMTMEP-MRXNPFEDSA-N 309.409 3.440 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCc1ccccn1 8165228 WRVAFLUAXIEVAV-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cnn(-c3ccccc3)n2)c(C)c1 23040618 ZKJCPEUBMHJRDI-UHFFFAOYSA-N 320.396 3.156 0 40 DGAB Fc1c(Cl)cccc1-c1nnc2sc(-c3ccn[nH]3)nn12 61720469 DEBIXBPKABPTCJ-UHFFFAOYSA-N 320.740 3.035 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)c1 100936592 GNBNGUAPFSFDGK-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 54661583 FHPBZWFHWYQCSJ-GFCCVEGCSA-N 305.765 3.051 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@H]1Cc2ccccc2O1 24981785 HYIAYOUERBTSHI-GOSISDBHSA-N 308.381 3.229 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1 25555057 HPSDVROYZGIVOE-UHFFFAOYSA-N 321.380 3.067 0 40 DGAB Cn1c([C@@H]2CCCCN2C(=O)c2cccnc2)nc2ccccc21 56131832 MAYIPWKZYOEFRE-KRWDZBQOSA-N 320.396 3.336 0 40 DGAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@H](C)C(C)C 47988641 FEXSYGDAWKUOLD-GFCCVEGCSA-N 303.406 3.053 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1 3300758 MFINZOHILQOXPH-UHFFFAOYSA-N 323.801 3.021 0 40 DGAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H]1CCOC1 89913742 ANYHJDJUZZVLJO-VXGBXAGGSA-N 319.430 3.035 0 40 DGAB CCOc1ncccc1C(=O)NCCCSc1ccccc1 3398853 ISZBPJFPKHNZFJ-UHFFFAOYSA-N 316.426 3.393 0 40 DGAB O=c1ccccn1Cc1nnc(-c2c(Cl)cccc2Cl)o1 58332002 MAUCIPFGGBEGFY-UHFFFAOYSA-N 322.151 3.253 0 40 DGAB O=C(Nc1cccc(-n2ccnc2)c1)c1cc(F)cc2[nH]cnc12 58383709 GEIZSEGABBGRDM-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB CC(C)CCC(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 58340928 UGBPNRHYGCPDKB-LLVKDONJSA-N 305.353 3.489 0 40 DGAB CC(C)CC[C@@H]1CCC[C@@H]1Nc1nn2c(=O)ccnc2s1 58432525 SOIWRYFGSKKSDM-RYUDHWBXSA-N 306.435 3.168 0 40 DGAB COc1ccc(-c2cnc3ccc(N4CCCC4)nn23)cc1OC 45194734 NMFLZALSVPWRSX-UHFFFAOYSA-N 324.384 3.014 0 40 DGAB CCOc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 10641842 TWUVKEGVKCCZJZ-OAHLLOKOSA-N 310.353 3.150 0 40 DGAB CCOc1coc(C(=O)Nc2cc(Cl)ccc2C)cc1=O 23136939 QKRFQGQOXSWQQC-UHFFFAOYSA-N 307.733 3.253 0 40 DGAB CCOc1ccc(OCCNC(=O)c2ccc(F)c(F)c2)cc1 12776994 IIFDDTSJZZXZMN-UHFFFAOYSA-N 321.323 3.172 0 40 DGAB CC(C)C[C@@H](NC(=O)c1csc2c1CC[C@H](C)C2)C(=O)O 12940830 KGRYLNMZCAFGKT-GXFFZTMASA-N 309.431 3.102 0 40 DGAB Cc1ccccc1Nc1nc(N2CCCCC2)nc2c1cnn2C 4272755 LWLBIMNTOWPORX-UHFFFAOYSA-N 322.416 3.406 0 40 DGAB CC(C)NS(=O)(=O)c1cc(Cl)c(Cl)cc1Cl 13938565 QRSARKNWSYOESV-UHFFFAOYSA-N 302.610 3.334 0 40 DGAB Cc1ccc2c(CC(=O)N[C@H]3CCC[C@@H]3n3ccnc3)c[nH]c2c1 69654694 HICMIDBOIJNDIT-WMZOPIPTSA-N 322.412 3.125 0 40 DGAB COc1c(CN[C@@H]2CCc3cc(Cl)ccc32)c(C)nn1C 65478830 BDZVCDDWFDXSDG-OAHLLOKOSA-N 305.809 3.168 0 40 DGAB C[C@H](O)c1ccc(CNC(=O)Cc2c[nH]c3ccccc23)cc1 69626265 QHHTTWHQSQBVPJ-ZDUSSCGKSA-N 308.381 3.080 0 40 DGAB C[C@H](c1ccccc1)[C@H](CO)Nc1nccc(C(F)(F)F)n1 69669760 FGPBCDNXHYLMMT-PWSUYJOCSA-N 311.307 3.072 0 40 DGAB CCO[C@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 65626860 QLKRMLBCPNIESC-CXAGYDPISA-N 316.376 3.194 0 40 DGAB Cc1cc(-c2nnc3sc(-c4cccc(Cl)c4)nn23)[nH]n1 5458264 AJNVJNMXWWYPMW-UHFFFAOYSA-N 316.777 3.205 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(C)oc1C 9114142 UHPQZLSZUMCOGB-UHFFFAOYSA-N 302.330 3.116 0 40 DGAB Cc1cc([C@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C(C)C 7030700 DPLLSFBPKSKGFI-INIZCTEOSA-N 322.416 3.132 0 40 DGAB CC[C@H](NC(=O)c1ccccc1-c1nc[nH]n1)c1cc(C)ccn1 67515460 JLBVBNUHCBKFCC-HNNXBMFYSA-N 321.384 3.056 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1csc(C)n1 15832262 NUZRUYUEVOTOEP-CYBMUJFWSA-N 308.378 3.064 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc2cc(F)ccc2o1 89948849 JJAHZZOMSOGPDC-DYVFJYSZSA-N 318.392 3.309 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](n2cccn2)C1 71924408 ZCERBPRANJAIAX-CQSZACIVSA-N 308.385 3.150 0 40 DGAB O=C(OC[C@H]1CCc2ccccc21)c1cccc(-n2ccnc2)n1 97166103 AUIOTVTTZOTLLG-OAHLLOKOSA-N 319.364 3.154 0 40 DGAB Cc1cccc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)n1 97142649 GAHHUUCICOOCRB-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB O=C(NCCC[C@H]1CCCCO1)Nc1ccc2c(c1)COC2 97138361 GHYYJPOJWVZJHV-MRXNPFEDSA-N 304.390 3.188 0 40 DGAB COc1ccccc1O[C@H](C)CNC(=O)NCc1cccs1 76066461 XGSDJZVHTNZCKA-GFCCVEGCSA-N 320.414 3.023 0 40 DGAB O=C(Nc1ccnn1-c1ccc(Cl)cc1)c1ccncc1F 76068132 FSEPKRXSUKDWNZ-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1 95348763 HPJAUEMZYLVJLF-LBPRGKRZSA-N 314.339 3.396 0 40 DGAB COc1ccc(CNc2ccc(NC(=O)C3CC3)nc2)cc1F 95430899 QMLRSQIOQDUXEE-UHFFFAOYSA-N 315.348 3.190 0 40 DGAB O=C(c1ccc(Cl)cn1)N(C[C@H](O)c1ccccc1)C1CC1 95430136 UPXWUWAEAZOEOP-INIZCTEOSA-N 316.788 3.073 0 40 DGAB NC(=O)Cc1ccccc1OCc1ncc(-c2cccs2)o1 95442496 JPYRPDCDOZMFGF-UHFFFAOYSA-N 314.366 3.010 0 40 DGAB c1cncc(O[C@@H]2CCN(Cc3nc4ccccc4s3)C2)c1 79111187 PECGIQCDRDUYLW-CQSZACIVSA-N 311.410 3.345 0 40 DGAB Cn1cc(CCCC(=O)NCCc2ccncc2)c2ccccc21 79495479 QGNOZUUOZNZJLM-UHFFFAOYSA-N 321.424 3.255 0 40 DGAB O=C(Cc1ccn[nH]1)NCC1(c2cccs2)CCCCC1 95962426 YOZWBOWVOISUOT-UHFFFAOYSA-N 303.431 3.032 0 40 DGAB C[C@@H](NC(=O)C[C@@H](C)C1CC1)c1ccc2c(c1)CCC(=O)N2 95955483 IOLODQPZQAGNIT-VXGBXAGGSA-N 300.402 3.185 0 40 DGAB C[C@@H]1OCC[C@H]1C(=O)N(Cc1ccncc1)CC1CCCCC1 95983295 RUIPNMCNKWVLDA-MAUKXSAKSA-N 316.445 3.416 0 40 DGAB COc1cccc(CNc2nnc(-c3ccco3)s2)c1OC 95990254 LQYIAFVYMSMZMQ-UHFFFAOYSA-N 317.370 3.427 0 40 DGAB Cc1noc(C)c1N(C)C(=O)C[C@H]1OCCc2ccsc21 89532475 KRBKARXBAXEQAB-GFCCVEGCSA-N 306.387 3.020 0 40 DGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C1CC1)[C@@H](C)C(C)C 86424546 JBQOEQMMZUBZFL-OCCSQVGLSA-N 320.481 3.186 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC2(CCCCC2)CC1 89794200 RKEIFIOIUBJQGI-UHFFFAOYSA-N 324.428 3.454 0 40 DGAB Cc1cc(C)nc(SCc2ccc(C(=O)N3CCCC3)o2)n1 79489175 ODWNVJTUAFLJGO-UHFFFAOYSA-N 317.414 3.215 0 40 DGAB Cc1cccc(-c2nc(C)c(C(=O)N3CCc4ccncc43)[nH]2)c1 541706982 DKHNUGVMFOTVON-UHFFFAOYSA-N 318.380 3.291 0 40 DGAB COc1cccc(C(=O)n2c(C)c(C(=O)O)c3ccccc32)c1 216956219 RHZLIAUSOPTTCE-UHFFFAOYSA-N 309.321 3.345 0 40 DGAB C[C@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCCCO1 566782032 PVHNNNNWVUVXJQ-LJQANCHMSA-N 310.397 3.324 0 40 DGAB CSC1(CNc2ccc(C(F)(F)F)cn2)CCOCC1 78412614 ZPYJIEHJXSBVAV-UHFFFAOYSA-N 306.353 3.425 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCC1(c2cccs2)CC1 49521048 UMUBORIOCLYCDR-XYOKQWHBSA-N 319.451 3.370 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NCC(C)C 224241722 QJLBTZOHEUEDLO-ZDUSSCGKSA-N 324.852 3.239 0 40 DGAB CCOc1cc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)ccc1O 41627473 OHCPPNZEANXBIT-UHFFFAOYSA-N 316.382 3.373 0 40 DGAB Cc1ccnc(N2CCN(c3ccc(C(F)(F)F)cc3)CC2)n1 130240327 CWWQRDWCNKMAPB-UHFFFAOYSA-N 322.334 3.130 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)c1ccc(Br)c(N)c1 40295126 CDDNHFDZXPLMLD-UWVGGRQHSA-N 311.223 3.434 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1F 32911514 SVNMXUCAGGKOLK-MRXNPFEDSA-N 312.388 3.220 0 40 DGAB C[C@@H](O)C1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 84300180 IXCYSQYXHSGJLJ-LLVKDONJSA-N 318.804 3.121 0 40 DGAB Cc1cnc(NC(=O)C2(c3ccccc3)CCOCC2)s1 41760409 WHMJOGFWKCLISV-UHFFFAOYSA-N 302.399 3.138 0 40 DGAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)O 224974369 WOZUVCPFTLTQGA-VIFPVBQESA-N 305.403 3.334 0 40 DGAB Cc1nc(CNC(=O)Nc2ccccc2Oc2ccccc2)no1 96433736 PJZISBYZMZUMFM-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@H]1C[C@@H]1c1ccco1 95394500 WGPUDRXWRAXKIW-BZSNNMDCSA-N 321.376 3.386 0 40 DGAB CCO[C@@H](C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 97371985 ISQNORQPIBLZKR-WRWORJQWSA-N 311.250 3.109 0 40 DGAB CSCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 96421964 DNLWUFGFVIYDLE-ZNMIVQPWSA-N 320.458 3.485 0 40 DGAB O=C(NCc1nccs1)N[C@@H]1CCC[C@H]1Cc1ccccc1 96415302 UIGINLJWYZBFAS-LSDHHAIUSA-N 315.442 3.354 0 40 DGAB CC(C)n1cc(CC(=O)NCc2cccn2C)c2ccccc21 95477780 IJTVDCFHFWMUGT-UHFFFAOYSA-N 309.413 3.420 0 40 DGAB CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1cnn(CC)c1 96415628 QSJZZOFBPDKAEF-CYBMUJFWSA-N 307.781 3.143 0 40 DGAB C[C@@H]1[C@H]2CC[C@H](C2)[C@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 95864754 LKJLMYKYKMDEBY-JWDQPFGJSA-N 321.848 3.457 0 40 DGAB CCO[C@@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3o1)C2 253381656 FMNNPVNBMUKRHE-ZDUSSCGKSA-N 317.410 3.169 0 40 DGAB O=C(Cc1cccs1)NCC[C@H](O)c1cc2ccccc2o1 96097204 ZUNWMWWZRBHWJR-AWEZNQCLSA-N 315.394 3.277 0 40 DGAB CO[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C[C@H]1Cc1ccccc1 585113439 HTEIWIGZWNILGT-GDBMZVCRSA-N 323.383 3.138 0 40 DGAB CCOC(=O)c1cc(OC)c2c(Br)cccc2n1 685937297 MUECSBFCORPCHT-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB Cc1cc(CNC[C@H]2CCN(CC(F)(F)F)C2)ccc1F 50545529 FVQAUROLEICIQL-CYBMUJFWSA-N 304.331 3.108 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2C[C@H](C)CC[C@@H]21 106830673 VLGGSSPYQQXWST-VMGRFDJRSA-N 303.450 3.007 0 40 DGAB Cc1nc(CCN(CC(=O)O)Cc2ccc(Cl)cc2)cs1 566363433 LAYNXKFYPHUXNB-UHFFFAOYSA-N 324.833 3.234 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CO 5892691 ALCJADIHNPLZMJ-LBPRGKRZSA-N 302.296 3.084 0 40 DGAB Cc1ccc(C=NNc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 17328719 KOMHUUXZDFABJZ-UHFFFAOYSA-N 300.274 3.257 0 40 DGAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(Cl)cc1)C2O 19320873 VKNKWKCYSZTGJD-UHFFFAOYSA-N 320.864 3.137 0 40 DGAB COc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1 19570868 YSUXAIHVGROHTO-DLBZAZTESA-N 301.361 3.107 0 40 DGAB Cc1ccsc1C(=O)N(C)Cc1ccc2c(c1)OCCO2 6784688 LOPPGZGVPPZZII-UHFFFAOYSA-N 303.383 3.100 0 40 DGAB C[C@H]1CCC[C@@H](C)N1NC(=O)c1ccc(Br)cc1 16608920 UTGZDKZTBGAZPY-PHIMTYICSA-N 311.223 3.357 0 40 DGAB c1ccc(N2C[C@@H]3CCN(c4nccc5ccccc45)[C@@H]3C2)nc1 1889208825 SWECFVALNGKOFS-FUHWJXTLSA-N 316.408 3.345 0 40 DGAB Cc1c(CC(=O)O)c2c(n1Cc1ccc(F)cc1)CCCC2=O 6667837 FPWJUBYBDFPJJC-UHFFFAOYSA-N 315.344 3.130 0 40 DGAB CCOC(=O)c1ccccc1C(=O)C(F)(F)Br 575361895 QOMMXBNVLQZUBF-UHFFFAOYSA-N 307.090 3.034 0 40 DGAB CN(C)[C@H](CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 575619331 DDZIPVOOEDZHEB-KXPUMZMLSA-N 324.380 3.458 0 40 DGAB O=C(NCCCc1ccccc1)NC[C@@H]1COc2ccccc21 289076742 NUOMEEPHBQGYKB-MRXNPFEDSA-N 310.397 3.095 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)CSCc1ccccc1 75155235 IMRBXSMEFYCCDL-AWEZNQCLSA-N 321.467 3.140 0 40 DGAB CCCCN[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 20064889 XOTJFMZTVQIAOX-LBPRGKRZSA-N 315.200 3.015 0 40 DGAB O=C(NCCNc1ccc(C(F)(F)F)cn1)c1ccsc1 40510511 OEGXJWYCEKLEKE-UHFFFAOYSA-N 315.320 3.004 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)Nc2ccccc2F)c1 40525619 BTISDVBJYMISCN-UHFFFAOYSA-N 301.321 3.106 0 40 DGAB C[C@@H](NC(=O)c1ccc(O)cc1)c1ccc(-n2ccnc2)cc1 7736371 BCRKXIKGCMUMQF-CYBMUJFWSA-N 307.353 3.069 0 40 DGAB CC[C@H]1CCc2c(sc3ncnc(N4CCOCC4)c23)C1 89222 MSZAPHJCGPPFDW-NSHDSACASA-N 303.431 3.043 0 40 DGAB O=C(CSc1nc2ncccc2[nH]1)Nc1ccc(Cl)cc1 2501690 CKJNNZANUQLAEK-UHFFFAOYSA-N 318.789 3.342 0 40 DGAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1C(C)C 411123 WCCNTGWTCFWMSY-UHFFFAOYSA-N 318.446 3.461 0 40 DGAB O=C(Cc1nc2ccccc2o1)C(=O)Nc1cccc(Cl)c1 1617112 GLILGTPOPWELJG-UHFFFAOYSA-N 314.728 3.232 0 40 DGAB COC(=O)c1cnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 32493776 FLFHELFRHAGPEG-UHFFFAOYSA-N 320.414 3.085 0 40 DGAB CCOP(=O)(OCC)c1ccc2c(c1)c(C)cc[n+]2CC 3164919 HEGZIBAERGVICH-UHFFFAOYSA-N 308.338 3.347 0 40 DGAB COc1ccccc1C(=O)Nc1ccccc1Cn1cccn1 32832846 BBRKMBLQGBLAEG-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2c2cnn(C)c2)C1(C)C 69779834 OFHANDMBCKVWCB-BZUAXINKSA-N 301.434 3.322 0 40 DGAB CC[C@@](C)(O)CNCc1ccc(OCc2csc(C)n2)cc1 69739608 KUVVLWMYWQHFFP-QGZVFWFLSA-N 320.458 3.281 0 40 DGAB COc1ccc(C(=O)NCc2cccc(Br)c2)cc1 42353426 VFFKXOGIGWRHKN-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB Cn1ccs/c1=N\C(=O)CCCc1nc2ccccc2s1 23653844 NHIFCFZFEBQTLR-ICFOKQHNSA-N 317.439 3.147 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(C)c(C)c2)c1 51356763 SQVMJQFUDUGOAH-UHFFFAOYSA-N 311.381 3.432 0 40 DGAB Cc1cccc(C(=O)NCCOc2ccc(C(C)(C)C)cc2)n1 25098968 ZKAQJVVYQJOJIN-UHFFFAOYSA-N 312.413 3.496 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1c(Cl)nc2sccn12 3230614 CRVXKKYRGOSATM-UHFFFAOYSA-N 321.745 3.030 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc(-n3cccn3)c(F)c2)s1 55716119 NVCWKXMNEJBAQQ-UHFFFAOYSA-N 316.361 3.337 0 40 DGAB CC(C)NC(=O)Nc1cccc(C(=O)OCc2nccs2)c1 56242378 ZDDUKFUPWZEKRX-UHFFFAOYSA-N 319.386 3.030 0 40 DGAB CCOC(=O)[C@@H]1CCCN(Cn2c(=S)oc3ccccc32)C1 3244594 DMEXGKUYFNFLMR-GFCCVEGCSA-N 320.414 3.196 0 40 DGAB NC(=O)[C@@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1 26219077 PYEZLMGIVUSAHE-AWEZNQCLSA-N 308.303 3.022 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(F)ccc2F)c1 57472228 BMVYJHZVIVXNNY-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)CCc1ccc(F)cc1 58157943 IOZIPUFEWVXXKN-UHFFFAOYSA-N 301.365 3.312 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)Nn2cnc3ccccc32)cc1 10405184 ATTQMVDLEQESIH-ZDUSSCGKSA-N 324.384 3.449 0 40 DGAB CCOC(=O)c1cc2cc(C(=O)NC3CCCCC3)ccc2[nH]1 28095644 DBVQQAAUZZOPHL-UHFFFAOYSA-N 314.385 3.407 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1[nH]nc(C(F)(F)F)c1C 58434146 ISBDTIRWIHZSQX-RXMQYKEDSA-N 316.283 3.084 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)cc2)on1 10998851 UGKXJLAVJVYGHF-GFCCVEGCSA-N 316.357 3.290 0 40 DGAB O=C1Nc2ccccc2C[C@H]1CCC(=O)N1CCc2ccccc21 12763260 REROPXJLCYJTLV-MRXNPFEDSA-N 320.392 3.167 0 40 DGAB CCN1CCCC[C@H]1C(=O)Nc1ccc(Br)cc1 48290551 SOMLGRCFDFKAJK-ZDUSSCGKSA-N 311.223 3.262 0 40 DGAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cnn(C)c2C)S1 71288896 KIWYSLUDBDZOKH-LBPRGKRZSA-N 305.407 3.098 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccc(F)cc1 12884844 DGYKRQDEQVMXED-CQSZACIVSA-N 323.414 3.341 0 40 DGAB C[C@H](C(=O)NC(C)(C)C)N(C)Cc1nc2ccccc2s1 12806318 BPENYVOZUJMSPI-LLVKDONJSA-N 305.447 3.031 0 40 DGAB Cc1ccccc1C(=O)NC[C@H](c1cccc(F)c1)N(C)C 12945136 STDYNMGVSDYIMY-QGZVFWFLSA-N 300.377 3.167 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1ccccc1OC(F)F 12935367 GTAPWBRCCWDERW-UHFFFAOYSA-N 310.325 3.486 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@@H]1Cn1cccn1 70038746 YIEGTDSZDNWHGE-CQSZACIVSA-N 315.442 3.128 0 40 DGAB O=C(NCc1cn2ccccc2n1)Nc1ccc(Cl)cc1 13301797 INPRLXYJAKJHJV-UHFFFAOYSA-N 300.749 3.309 0 40 DGAB CCc1noc(CN(C)Cc2ccc(Br)cc2)n1 69537082 FATVZQVRUJERFD-UHFFFAOYSA-N 310.195 3.027 0 40 DGAB COc1ccc(C)cc1NC(=O)Cc1ccc(NC(C)=O)cc1 14021465 MYKDTESDNCIAGP-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(O)cc3)C2)cc1 4539042 WXKVOFFSQRHMBS-GOSISDBHSA-N 310.353 3.098 0 40 DGAB COc1cccc(SCC(=O)N[C@H](C)CC[C@H]2CCCO2)c1 69697164 RIRVOWSGLGVZKR-ZIAGYGMSSA-N 323.458 3.251 0 40 DGAB COc1cccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)c1 8843762 OQMXBRKNHYDNST-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCCC[C@H](CC)CNC[C@@H](O)COCc1ccc(OC)cc1 6939331 ALVXVTRQYGBRMM-FUHWJXTLSA-N 323.477 3.379 0 40 DGAB COc1ccc(C)c(NCc2nnc(-c3ccccc3)n2C)c1 92942299 DCLNLTHQNGSPCH-UHFFFAOYSA-N 308.385 3.411 0 40 DGAB Fc1ccccc1Cc1nnc(SCc2ccccn2)o1 67954490 QSYHCXBQYHUAON-UHFFFAOYSA-N 301.346 3.487 0 40 DGAB C[C@H](NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1 9731166 GOSWJVIBLKIEMZ-HNNXBMFYSA-N 302.418 3.047 0 40 DGAB O=C(COc1ccc(Cl)c(Cl)c1)NCC[C@H]1CCCO1 29787398 BTFBNKRKVBOIGJ-SNVBAGLBSA-N 318.200 3.058 0 40 DGAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2cc(N)ccc2F)c1 19736603 MSXRISIEDUGWBE-GFCCVEGCSA-N 302.349 3.431 0 40 DGAB Fc1ccc(C2=NN=C(NCc3ccco3)SC2)cc1F 9314212 UPJCXARJJWSPEW-UHFFFAOYSA-N 307.325 3.155 0 40 DGAB CC(C)N(CCc1nccs1)Cc1cccc2cn[nH]c12 93764182 UZXBIICLRVUUEX-UHFFFAOYSA-N 300.431 3.473 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1cnccn1 9742463 QHNRPBUFRPOVSR-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2CCc2ccccc2)cn1 71841413 DEQAHKKQURDNRH-QYZOEREBSA-N 323.440 3.147 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1 89894304 KVOCAJOSYHKHTP-KBPBESRZSA-N 305.422 3.211 0 40 DGAB O=C(c1ccccc1)N1CCN(Cc2cccc3cc[nH]c23)CC1 97020234 DSIHDIQAJOPOLB-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB Cc1cn2c(n1)CC[C@H](NC(=O)C[C@@H]1CCCc3ccccc31)C2 72271695 GJWPFTWMWYLXCX-IRXDYDNUSA-N 323.440 3.133 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)c3cccc(C)n3)C2)n1 72282299 KBRXPLKBGFGSFY-ZDUSSCGKSA-N 315.442 3.429 0 40 DGAB C[C@H](SC[C@H](C)CO)C(=O)Nc1ccc(C(F)(F)F)cc1 72298273 PSXFEWAPLDIELS-ZJUUUORDSA-N 321.364 3.394 0 40 DGAB Cc1csc([C@H](NC[C@H](O)c2ccc(F)cc2)C2CC2)n1 97110103 MZAHVEOURSYXCT-LSDHHAIUSA-N 306.406 3.365 0 40 DGAB O=C(c1cn(C2CCCCC2)nn1)N1CC[C@H]2CCCC[C@@H]21 97212593 CTBDXXXCXMCCEM-CJNGLKHVSA-N 302.422 3.188 0 40 DGAB CC(=O)N1CC[C@@H](NCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 84714853 ZQYZBBYDDZOQAU-RDTXWAMCSA-N 302.462 3.331 0 40 DGAB Cc1ccc(NC(=O)N2CC[C@H](C3CCN(C)CC3)C2)cc1C 95440573 TVGQDWOJUAZDCJ-KRWDZBQOSA-N 315.461 3.499 0 40 DGAB O=C(CCC(F)(F)F)N1CCC[C@H](NCc2ccccc2)C1 95429514 TXNYSHZDNJYRDO-AWEZNQCLSA-N 314.351 3.110 0 40 DGAB C[C@@H]1CN(Cc2ccc(CNC3CCCC3)cc2)C[C@@H](C)O1 78616600 XNKGQYTYHFAYCZ-HZPDHXFCSA-N 302.462 3.328 0 40 DGAB COc1ccc(CNCc2nncn2C(C)C)c2ccccc12 89156511 XYJHVEAYWONXRA-UHFFFAOYSA-N 310.401 3.311 0 40 DGAB O=C(NCCn1ccnc1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 89768387 FARGBIAXWQIFOO-OLZOCXBDSA-N 324.211 3.110 0 40 DGAB O=C(Nc1ccccn1)c1ccc(Cn2cc(Cl)cn2)cc1 27969491 MZWLHFJDSXLEFG-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCOC(=O)c1[nH]nc(NC(=O)/C(F)=C(\C)C2CC2)c1C1CC1 1514676472 MFMGEVMACFNTLF-WQLSENKSSA-N 321.352 3.056 0 40 DGAB CCC[C@@H](C)NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 44899929 WJYBPLBQHZHMHL-NEPJUHHUSA-N 311.447 3.489 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCC(C)CC2)c(C)c1 223437494 BAMXXUACZFXXON-UHFFFAOYSA-N 302.462 3.084 0 40 DGAB CCOC(=O)c1cnc2ccc(Br)cc2c1S 40175604 GGFCXGISMREHQX-UHFFFAOYSA-N 312.188 3.463 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=S)NCc2ccco2)c1 225317778 JJVNAGBFRAJOSM-UHFFFAOYSA-N 324.789 3.206 0 40 DGAB Nc1ccc(N2CCCCC2)c(NC(=O)Cc2ccccc2)c1 226253770 JFHFJDKHVRYCQY-UHFFFAOYSA-N 309.413 3.440 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CCC 224811378 LXVVQHZWSYNNEK-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB C[C@H](CN1CCC(OC[C@H]2CCOC2)CC1)c1ccc(F)cc1 195573461 JDEQKWVWWXOPSE-CVEARBPZSA-N 321.436 3.447 0 40 DGAB COCc1ccccc1NC(=O)Nc1cc([C@@H]2C[C@@H]2C)n[nH]1 192218713 GKRCICUENIAPAL-CMPLNLGQSA-N 300.362 3.324 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)COC[C@@H]2CCCO2)c1C 96423792 OCRFWUWGNPOBDH-FUHWJXTLSA-N 317.429 3.163 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)c2cscn2)[C@@H](C)CO1 96425676 VVDQGZPPRHPXIF-WFASDCNBSA-N 302.399 3.054 0 40 DGAB OC[C@@H](N[C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 97371077 CFDTTZDAUOGONI-CHWSQXEVSA-N 305.365 3.224 0 40 DGAB CCOC(=O)c1sc(-c2ccc(OC(C)C)cc2)nc1O 90189520 GKYKBKHZCYDSPE-UHFFFAOYSA-N 307.371 3.480 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)s1 97235332 XYVMZJWDHLETTE-MRVPVSSYSA-N 310.400 3.011 0 40 DGAB COCc1ccc([C@H]2CCCN2Cc2noc(C3CC3)n2)o1 97095264 RTBNMIJVHKEBGI-CYBMUJFWSA-N 303.362 3.024 0 40 DGAB C[C@H](NC1CCN(c2ccccn2)CC1)[C@H]1COc2ccccc21 90845614 VQUZHJIGVSBJBN-MAUKXSAKSA-N 323.440 3.205 0 40 DGAB C[C@@H](CNC(=O)C1(C)CCOCC1)Oc1ccc(Cl)cc1 96431968 SKKFNWXXIRBAQV-LBPRGKRZSA-N 311.809 3.040 0 40 DGAB CC(C)(C)OC(=O)NC1(c2noc(-c3ccoc3)n2)CCC1 96405330 IAGBBJSDEVWDNH-UHFFFAOYSA-N 305.334 3.234 0 40 DGAB O=C(Nc1ccnn1-c1ccccc1)[C@@H]1OCCc2ccccc21 95432585 LOFLICPUPACJQQ-GOSISDBHSA-N 319.364 3.125 0 40 DGAB c1coc(CN2CCN(Cc3ccncc3)c3ncccc3C2)c1 96198966 KWURISVGAUCTTO-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB CCc1ccc([C@H]2COCCN2Cc2cn3ccsc3n2)o1 96413017 IZMCRBYUZLEKFU-CQSZACIVSA-N 317.414 3.125 0 40 DGAB Cc1csc(C(=O)N2CCC(Oc3ccncc3)CC2)c1 245174001 YFVXHYPNOYQURC-UHFFFAOYSA-N 302.399 3.135 0 40 DGAB C[C@@H]1CCCCN1C[C@@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 245253867 IALISDBBGAHRTK-MUDKKEKZSA-N 309.494 3.453 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 257282641 OUPQAECJNMGLGD-CYBMUJFWSA-N 303.431 3.118 0 40 DGAB CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@@H](O)C(F)(F)F 261508146 PZVPCYIOYOTOEP-GHMZBOCLSA-N 305.296 3.176 0 40 DGAB COC(=O)CCCCC(=O)c1cc(Br)cs1 382693761 AMPCATHXOHSUCT-UHFFFAOYSA-N 305.193 3.427 0 40 DGAB CCc1ccc(S(=O)(=O)NCc2cncc(C3CC3)c2)s1 575606083 KBJUCVLUDHLBKP-UHFFFAOYSA-N 322.455 3.061 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCC(F)(F)CC1 684519060 CZHSDGXTJWJBRB-MRXNPFEDSA-N 322.399 3.156 0 40 DGAB Cc1ccccc1C(=O)NCCCN(C)C(=O)c1ccccc1C 16362595 GNHDEEQWESWXBJ-UHFFFAOYSA-N 324.424 3.196 0 40 DGAB OC[C@@H]1[C@H](CO)[C@@H]2CC[C@H]1C2(c1ccccc1)c1ccccc1 18061990 PCXZMSHDACDQDE-FGYAAKKASA-N 308.421 3.230 0 40 DGAB O=C(NC[C@]1(O)CCCc2sccc21)Nc1cccs1 1889128354 REBXUDXCIUXGLJ-CQSZACIVSA-N 308.428 3.155 0 40 DGAB CSc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2)cc1 20029847 VGUYUXULDHOUIJ-GFCCVEGCSA-N 307.440 3.448 0 40 DGAB COc1ccc(CCN(C)c2cc(C)nc3cc(C)nn23)cc1 2087045663 NOJOOUPFQFPAHT-UHFFFAOYSA-N 310.401 3.034 0 40 DGAB CN1CCCC[C@@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 1565545286 FAFQBCNZIJDBCQ-MJGOQNOKSA-N 304.478 3.456 0 40 DGAB O=C(Cc1ccsc1)NCc1nccnc1-c1cccs1 575620066 JRGGYEVEPSVFMF-UHFFFAOYSA-N 315.423 3.126 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCO2 40074703 JALYWVACZUJUEE-VIFPVBQESA-N 307.733 3.023 0 40 DGAB COc1ccc(NC(=O)c2csc(-c3ccc(C)o3)n2)cn1 31204283 WWWGUWWFMHDDSS-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(Cc2ccn(C)c(=O)c2)C2CC2)o1 51183387 YOXXOAKGMSENNH-GUYCJALGSA-N 312.413 3.266 0 40 DGAB Cc1ccsc1/C=C/C(=O)Nc1cccnc1-n1cccn1 31951019 XKJIDSMYLDPIOZ-AATRIKPKSA-N 310.382 3.289 0 40 DGAB Cc1nc2cc(NCc3nc4ccccc4n3C)ccc2n1C 34813 YVKYOGYNOYIUGC-UHFFFAOYSA-N 305.385 3.381 0 40 DGAB Cn1nc(OCc2ccccc2)cc1NC(=O)OC(C)(C)C 1857793480 SXQXCDGUUQTZKC-UHFFFAOYSA-N 303.362 3.346 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1C 130756 LFLXXWVSQSICOD-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1ccn2ncc(C(=O)N(C[C@@H]3C[C@H]4C=C[C@H]3C4)C(C)C)c2n1 101135165 SONVVHBPAMTLIC-JYJNAYRXSA-N 324.428 3.101 0 40 DGAB CCc1ccccc1NC(=O)N1CCC[C@H]1C(=O)NC(C)(C)C 1343109 UMHHIPHWCXSQNE-HNNXBMFYSA-N 317.433 3.160 0 40 DGAB CCCCOC(=O)c1ccc(NCn2nnc3ccccc32)cc1 3147130 NSGCHKQFYVACDN-UHFFFAOYSA-N 324.384 3.458 0 40 DGAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)c(C)c1 316490 FUHJMIIWALDEEA-FQEVSTJZSA-N 323.392 3.049 0 40 DGAB CC1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 101892700 ZLTMZOZHWGQFSO-UHFFFAOYSA-N 304.353 3.090 0 40 DGAB CCc1c(C)nc2cc(-c3cccs3)nn2c1NCCOC 4980823 SZCYGDBSADVREZ-UHFFFAOYSA-N 316.430 3.387 0 40 DGAB CCc1cc2c(COC(=O)[C@H](C)CC)cc(=O)oc2cc1O 32899305 ZWMGQHOIDDIWCU-SNVBAGLBSA-N 304.342 3.150 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccccc1OC 8041529 PKUBFBVOPSXWBA-HNNXBMFYSA-N 317.360 3.308 0 40 DGAB CCc1n[nH]c(=S)n1NCc1ccc(Br)cc1 8339179 WVPLWUVMNXNSHM-UHFFFAOYSA-N 313.224 3.009 0 40 DGAB CCCCN1CCC(NC(=O)Cc2c[nH]c3ccccc23)CC1 52797973 TXPFINCZJWAGRK-UHFFFAOYSA-N 313.445 3.091 0 40 DGAB CCN(Cc1ccc(OC)c(OC)c1)Cc1c(C)noc1C 53097393 DNPNOTLRKRFEIN-UHFFFAOYSA-N 304.390 3.331 0 40 DGAB C1C[C@@H]2[C@H]3[C@@H]4[C@H]5[C@@H]2[C@H]1O[C@H]1C[C@]15[C@@H]1[C@@H]2CC[C@H]5O[C@H]6C[C@@]63[C@H]([C@H]25)[C@H]41 104288626 JBQGDLRPBXUISA-RETJELMASA-N 322.448 3.105 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1cccc(Cl)c1 792153 NCQOMVQQHCWGER-UHFFFAOYSA-N 316.788 3.429 0 40 DGAB FC(F)CN1CCC(Nc2ccc(Cn3cccn3)cc2)CC1 96008833 LWKQCEOOTPPCIS-UHFFFAOYSA-N 320.387 3.073 0 40 DGAB Cc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)s1 107731377 VVCOFBDMQNUGCT-WBVHZDCISA-N 317.458 3.249 0 40 DGAB C[C@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 96026235 HKYLXLMCKULWRF-KRWDZBQOSA-N 308.425 3.135 0 40 DGAB C[C@@H](NC(=O)COc1ccccc1)c1ccc(-n2ccnc2)cc1 12507196 MBMNPMFUSWZANG-OAHLLOKOSA-N 321.380 3.129 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 106839230 AMHHVHIJJMTZAR-AGIUHOORSA-N 322.371 3.318 0 40 DGAB O=C(c1cnc(-c2ccccc2)s1)N1CCO[C@H]2CCC[C@@H]21 56193364 XHIYSOMDVXOHIP-KBPBESRZSA-N 314.410 3.204 0 40 DGAB Cc1ncc(CN(C)C(=O)NCC2(c3ccccc3)CC2)s1 56372986 LNKZAQOREBQNQT-UHFFFAOYSA-N 315.442 3.325 0 40 DGAB COCc1ccccc1NC(=O)NCCOc1ccccc1C 56606201 XOQXTKXMAFWROL-UHFFFAOYSA-N 314.385 3.342 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)N1CCCN(c2nccs2)CC1 107493877 KIWKVZHHHVZYGZ-KKUMJFAQSA-N 319.474 3.008 0 40 DGAB c1ccc2c(c1)ncn2-c1ccc(CNC[C@H]2CCCO2)cc1 12567051 CWGSNRUSVRWCKV-QGZVFWFLSA-N 307.397 3.294 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@H](C)CC(=O)c2cccs2)CCO1 108494594 URPCWFSCNJXSNI-JHJVBQTASA-N 309.431 3.031 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)c2ccc(F)cc2)cc1 20461693 ZITVOLFNYAZUDV-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Cc1cc(NC(=O)CSCCOc2ccccc2C)no1 58016187 PCMDPPNSPBFQDK-UHFFFAOYSA-N 306.387 3.042 0 40 DGAB CCCCNC(=O)C[S@@](=O)Cc1c(Cl)cccc1Cl 58130988 YGXCKTYZTYRDLI-LJQANCHMSA-N 322.257 3.158 0 40 DGAB CCOc1cccc(CNC(=O)Nc2ccccc2OC)c1 44845617 LNHFWIVXASLXJL-UHFFFAOYSA-N 300.358 3.416 0 40 DGAB CCSCCC(=O)Nc1ccccc1NC(=O)N1CCCC1 58203311 JQLVLGNHFZYBGX-UHFFFAOYSA-N 321.446 3.396 0 40 DGAB CCN(C(=O)c1ccc(-c2ccco2)[nH]c1=O)C1CCCCC1 58341962 SKTNXKRBFNUKTQ-UHFFFAOYSA-N 314.385 3.430 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 3306202 LBXIJQOKZRDJRK-CHWSQXEVSA-N 320.458 3.242 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1c(C)cccc1C 19736233 YZROMQQOJVLAOI-ZDUSSCGKSA-N 314.385 3.300 0 40 DGAB CCCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)NC(=O)N1C 3418852 AYXNVFMBGZUQLI-AWEZNQCLSA-N 322.792 3.263 0 40 DGAB Cc1nc2c3ccccc3n(Cc3ccc(Cl)cc3)c(=O)n2n1 8511639 RPEFYJHLSBSBNB-UHFFFAOYSA-N 324.771 3.054 0 40 DGAB Cc1c(C)n(C[C@H](O)CN2CCCC[C@@H]2C)c2ccccc12 4192925 NRYFBXSFQXDNFG-WMLDXEAASA-N 300.446 3.493 0 40 DGAB COc1ccc([C@H](NC2CCN(C)CC2)c2ccccc2)cc1 13718492 OCFDLTIXORMBSD-HXUWFJFHSA-N 310.441 3.468 0 40 DGAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)CCC 13750924 WMNBWFPTUHONSP-UHFFFAOYSA-N 300.402 3.457 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccc(Br)cn1 13746808 ODMOZPPJQULVRG-UHFFFAOYSA-N 309.138 3.164 0 40 DGAB CCc1noc(C)c1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 65498388 ZLKMQSNZEDQVRS-LRDDRELGSA-N 314.385 3.148 0 40 DGAB CCc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1OC 8714818 VECPPIIHYDFBMF-UHFFFAOYSA-N 311.447 3.211 0 40 DGAB O=S(=O)(c1ccccc1Cl)N1CCc2sccc2C1 14101356 MHAOWDMZFZCPRI-UHFFFAOYSA-N 313.831 3.149 0 40 DGAB COc1cc(SC)ccc1C(=O)Nn1cnc2ccccc21 14229447 YFQCWNYEWPLJGP-UHFFFAOYSA-N 313.382 3.151 0 40 DGAB C[C@H]1CN(Cn2nc(-c3ccccc3F)oc2=S)C[C@@H](C)O1 14238655 MWXIQWPJWMCPQS-PHIMTYICSA-N 323.393 3.078 0 40 DGAB O=C(NCCc1ccc(O)cc1)Nc1cccc2cccnc12 65817146 FMDIXNCQZVABCH-UHFFFAOYSA-N 307.353 3.305 0 40 DGAB Cc1ccc(-n2ncc3c(Nc4cccc(N)c4)ncnc32)cc1 6660772 YAYLEUJMARORDY-UHFFFAOYSA-N 316.368 3.450 0 40 DGAB Cc1ccc(C(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1 67206483 NXJARCIOCIYEQY-UHFFFAOYSA-N 308.425 3.308 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1c(Cl)cccc1Cl 28233014 RWQYIJSEJCPLFR-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB CCn1cnnc1SCC(=O)c1c(C)[nH]c2ccccc12 7868342 IFVNNYABRMDKJJ-UHFFFAOYSA-N 300.387 3.063 0 40 DGAB CCOc1cccc(CN[C@H](C)[C@H](C)n2cccn2)c1OC 69368526 VBFGZUZHPRQBSI-KGLIPLIRSA-N 303.406 3.030 0 40 DGAB Cc1cc(C)n(-c2nc(C)c(Br)c(Cl)n2)n1 9306182 DLAQTDUSKWSPKD-UHFFFAOYSA-N 301.575 3.003 0 40 DGAB C[C@H](NC(=O)[C@]1(C)CC1(Cl)Cl)c1nc2ccccc2[nH]1 9466800 FVOZDCKLJAWSOH-SDBXPKJASA-N 312.200 3.324 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]2CCCC[C@H]21 71828357 QOJRMTCPBDIVPV-GOEBONIOSA-N 310.401 3.062 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCO[C@H]2CCC[C@@H]21 71823501 YMABBIVEYLMCEL-OALUTQOASA-N 324.424 3.174 0 40 DGAB Cc1cnn(CCC(=O)NC2(c3ccc(Cl)cc3)CC2)c1 71899817 NKAQVSWHPHIIOA-UHFFFAOYSA-N 303.793 3.041 0 40 DGAB Cc1cc(C(=O)Nc2nc3ccccc3n2C2CCCC2)nn1C 71920751 JMWPDMWOZHIRFO-UHFFFAOYSA-N 323.400 3.446 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)ccc1F 97032931 ZRAIWOHTSNZSFB-ZDUSSCGKSA-N 307.365 3.097 0 40 DGAB CC(C)c1ccc(-c2nc(C(=O)N3CC[C@@H](N)C3)cs2)cc1 97019632 VVYROECOZYJWTG-CQSZACIVSA-N 315.442 3.107 0 40 DGAB Cc1ccc([C@@H]2CCC[C@H]2OC(=O)c2ccc(C)[nH]c2=O)cc1 97002032 CHLIORGRKPPKSU-DOTOQJQBSA-N 311.381 3.485 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2Cc2nnc(C(C)C)o2)no1 72284555 ADCDQDIAUPQTJJ-NSHDSACASA-N 305.382 3.037 0 40 DGAB CC(C)(C)c1csc(Cn2cnc3ccsc3c2=O)n1 97227563 JPOHSSHKYLGTJZ-UHFFFAOYSA-N 305.428 3.260 0 40 DGAB CN1CC[C@@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)c(F)c1 95449232 ZMAJSFQNAMKGBN-HIFRSBDPSA-N 322.380 3.202 0 40 DGAB NC(=O)c1cccc(NCc2ccccc2OCC(F)(F)F)c1 95428613 MXCRVPKUSNSGDC-UHFFFAOYSA-N 324.302 3.339 0 40 DGAB C[C@@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cnn(C)c1 95436058 WHKMWOHGIWMRFB-CJNGLKHVSA-N 315.417 3.154 0 40 DGAB O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@H]1C1CCC1 95400343 NOMUFKLFEIOYKF-ROUUACIJSA-N 316.445 3.474 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1F 76056517 QOYHDRJWOWDHNZ-GDZNZVCISA-N 304.409 3.123 0 40 DGAB CCc1noc(CC)c1Cc1nc(-c2ccccc2OC)no1 88335260 DCJGQRGHASXANM-UHFFFAOYSA-N 313.357 3.449 0 40 DGAB CCO[C@H]1C[C@@H](Nc2ncccc2-c2nc(C)no2)C12CCC2 78360666 RWEGORFVKQLPSC-KGLIPLIRSA-N 314.389 3.200 0 40 DGAB CCOCCO[C@H](C)C(=O)Nc1c(C)c(C)nc2ccccc12 95943471 QUTKPIONNKVONJ-CQSZACIVSA-N 316.401 3.232 0 40 DGAB C[C@H]1CCCC[C@H]1N(C)C(=O)CCc1ccccc1C(=O)O 95991812 IGVAKTSETRULGA-XJKSGUPXSA-N 303.402 3.355 0 40 DGAB Cc1cccc(F)c1NC(=O)NC[C@H](O)c1ccc(F)cc1 95996402 YRHOZNVSJAHTAH-AWEZNQCLSA-N 306.312 3.128 0 40 DGAB CC(=O)Nc1cccc(CNc2ccc(Br)cn2)c1 78869066 PFJHIAKOBNRERZ-UHFFFAOYSA-N 320.190 3.415 0 40 DGAB CC(C)(CCCNC(=O)Nc1ccccc1F)C1OCCO1 75139194 GIMQFQKEVQZFCS-UHFFFAOYSA-N 310.369 3.127 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 36635341 VJWLGLFPYRSYJH-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NCCCc1ccccc1 219496202 AXYPYRSFQLKXEF-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@@H]1c1cccc(Cl)c1)C(=O)N2 217476780 LRYFFHUOYDEECO-CXAGYDPISA-N 313.740 3.416 0 40 DGAB Cc1nccn1-c1nccnc1[C@@H]1CCCN(C2CCCC2)C1 72350473 RISBGLGIOYKMHN-OAHLLOKOSA-N 311.433 3.093 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)[C@H](C)c1ccc(Cl)s1 79583795 PCSVETWZXSUHKD-SECBINFHSA-N 310.806 3.151 0 40 DGAB NC(=O)COc1cccc(CSCc2ccc(Cl)nc2)c1 78555803 WTMSFAMDZYLTOY-UHFFFAOYSA-N 322.817 3.033 0 40 DGAB CC(C)n1cc(CC(=O)NCC2CCOCC2)c2ccccc21 79481077 GJZDZMONKIXLRI-UHFFFAOYSA-N 314.429 3.308 0 40 DGAB Cc1nc(Br)ccc1CNC(=O)OC(C)(C)C 72223993 GYYWNLZBASJRRS-UHFFFAOYSA-N 301.184 3.177 0 40 DGAB O=C(N[C@H](n1ccnc1)C(Cl)(Cl)Cl)c1ccccc1 72414135 HMEZUJAJXLQKSN-LLVKDONJSA-N 318.591 3.182 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccccc1F 40158957 VISYUURSDGTHLP-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)CN1CCc2ccccc21 40020122 HXEYISZQPFMZIM-UHFFFAOYSA-N 322.408 3.037 0 40 DGAB O=C(O)/C=C/c1cc(Br)cc(OC(F)(F)F)c1 71867266 XYTPGFWRUNQUGF-OWOJBTEDSA-N 311.053 3.446 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NC12CC3CC(CC(C3)C1)C2 225595971 QUYDEHCGJYLVEA-UHFFFAOYSA-N 323.433 3.381 0 40 DGAB CC(C)(C)c1cnc(Cn2ccnc2[C@H](O)c2ccccc2)o1 133694495 WUEFZSKETTVDCU-MRXNPFEDSA-N 311.385 3.299 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC(C)C 222503609 KNPHYEBVLRHYCJ-QGZVFWFLSA-N 318.461 3.427 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](N2Cc3ccccc3NC2=O)C1 83351175 NQNWXGQZHAFTIX-ZDUSSCGKSA-N 317.389 3.044 0 40 DGAB CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)c(CC(=O)O)s1 85397380 OSBPDXMMCUQONZ-UHFFFAOYSA-N 318.398 3.321 0 40 DGAB COC(=O)c1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 48344471 HQMKHCIRLWBPRS-KRWDZBQOSA-N 309.365 3.451 0 40 DGAB Cc1cnc([C@@H](NC(=O)c2ccc(C(=O)O)cc2)C2CC2)s1 96479867 CKXKTZJSIPPBQP-ZDUSSCGKSA-N 316.382 3.031 0 40 DGAB O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)c1ccc(Cl)cn1 93469246 OOQQMKFXNFEJAQ-GXTWGEPZSA-N 306.793 3.099 0 40 DGAB O[C@@H](c1cc(C(F)(F)F)ncc1Br)C(F)(F)F 91356084 FFCWYSAHZZYWLC-LURJTMIESA-N 324.018 3.459 0 40 DGAB Cc1nc(C(=O)OC[C@H]2CC[C@@H](C)O2)c(-c2ccccc2)o1 97376741 QYFQRHCHFANQOD-BXUZGUMPSA-N 301.342 3.374 0 40 DGAB C[C@H]1C[C@@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC(C)(C)C1 97236251 GBPVYKCZBUGZMB-GXTWGEPZSA-N 317.433 3.184 0 40 DGAB O=C(CC1CCC2(CC1)CCN(CC1CC1)CC2)N1CC=CC1 96075183 IZTIXLADIQKMGU-UHFFFAOYSA-N 316.489 3.457 0 40 DGAB CCO[C@@H]1C[C@@H](N[C@@H]2CCCn3nc(C)nc32)C12CCCCC2 97034730 RCCZIPMICSYKBH-BZUAXINKSA-N 318.465 3.139 0 40 DGAB Cc1cc(F)ccc1Cc1noc([C@H]2CC23CCOCC3)n1 585084227 NURZQIXXKUCCCV-CQSZACIVSA-N 302.349 3.392 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](c3ccc4cccnc4n3)C2)ns1 585131344 SGTRYPPYAGXCNC-CYBMUJFWSA-N 324.409 3.024 0 40 DGAB COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4)C(=O)[C@@H]32)cc1 585138338 GJMGLZTVVYGQTA-WDSOQIARSA-N 307.393 3.457 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3ncccc3c2)n1 257229906 FZYRXUFSJQDOBM-INIZCTEOSA-N 306.369 3.244 0 40 DGAB O=C(NCCCn1ccnc1-c1ccccc1)c1cccs1 85554985 WWLNNCCYJHEKTI-UHFFFAOYSA-N 311.410 3.432 0 40 DGAB CCc1nnc(NC(=O)C2(c3ccc(F)cc3)CCC2)s1 41527187 RMEQCIVBPNBVPK-UHFFFAOYSA-N 305.378 3.300 0 40 DGAB COc1ccc(CCC(=O)c2ccc(O)cc2O)c(OC)c1C 204457658 CJLKVUXHHYYFMC-UHFFFAOYSA-N 316.353 3.239 0 40 DGAB CC[C@@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCO1 46354801 MXZMOJCZGSDGDL-LLVKDONJSA-N 308.428 3.123 0 40 DGAB O=C(c1cnc(F)c(Br)c1)N1CCCCCCC1 585091031 MUEIMOSQCZYPED-UHFFFAOYSA-N 315.186 3.390 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2)cc1OC 15648983 UOCVMFIPYNCODL-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB NCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 19734111 DMQUFESDVWOLRE-UHFFFAOYSA-N 315.804 3.270 0 40 DGAB Cc1nc(C)c(CCN[C@H](Cc2ccccn2)C2CC2)s1 158019580 FYWWZCBDCNCHGF-MRXNPFEDSA-N 301.459 3.308 0 40 DGAB Cc1cc(NC(=O)c2cccs2)cc2sc(NN)nc12 226311305 BYRJXIJFCYOSLC-UHFFFAOYSA-N 304.400 3.204 0 40 DGAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)C)ccc21 8958948 NBNLMWRQFHAHKB-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cn1ccs/c1=N\C(=O)Cc1ccc(Cl)c(Cl)c1 6335051 PCVWESFSBMQCAV-QINSGFPZSA-N 301.198 3.063 0 40 DGAB O=C(Cc1noc2ccccc12)NCCc1c[nH]c2ccccc12 17296172 JKKIEIHBZBYUEK-UHFFFAOYSA-N 319.364 3.211 0 40 DGAB OC[C@]12CCCC[C@@H]1CN(c1nc3ccc(F)cc3s1)C2 1888869990 IEKRUKFMBUPNEF-BDJLRTHQSA-N 306.406 3.424 0 40 DGAB C=Cc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)cc1 1888890370 FDTJLYCHDXQQAF-UHFFFAOYSA-N 305.381 3.066 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CNCc2cccnc2-n2cccn2)o1 30902309 VBRKQIZXGWSQDF-CJNGLKHVSA-N 308.385 3.274 0 40 DGAB Cc1ccc2c(c1)C(=O)C(=O)N2CCOc1ccccc1Cl 2668953 MZWISTTXLUTQIZ-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB NC(=O)c1ccsc1NC(=O)Cc1cccc2ccccc12 4275766 WLVZRJYQGCXLLW-UHFFFAOYSA-N 310.378 3.181 0 40 DGAB CC(C)C(=O)N1CCCc2ccc(NC(=O)c3ccco3)cc21 5136387 PXRRVGUKQMJSEI-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CC(=O)N2 10826093 SZJJSJOUROAUNX-UHFFFAOYSA-N 300.745 3.016 0 40 DGAB O=C(NC[C@@H](c1cccs1)n1cccn1)c1ccsc1 575609854 ILBJAORBKZEXEL-LBPRGKRZSA-N 303.412 3.026 0 40 DGAB C[C@@H]1CCc2sc(NC(=O)c3ccccc3)c(C(N)=O)c2C1 1518451 CYOUMZBTSUJHOD-SNVBAGLBSA-N 314.410 3.224 0 40 DGAB Cc1cccc(Oc2ccccc2NC(=O)N2CC[C@@H](O)C2)c1 96461718 FILDKHVKJKTETM-CQSZACIVSA-N 312.369 3.386 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CCCN1C(=O)c1ccco1 40461215 BSAHGXGKOLFUOW-MRXNPFEDSA-N 324.380 3.012 0 40 DGAB CC(C)(C)NC(=S)NC(=O)C12CC3C[C@H](CC[C@@H](C3)C1)C2 100502491 RZAGPTGGVIINCF-LZSIIWAZSA-N 308.491 3.382 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)n1 40515732 VSNDNHWWVBFCBL-BFHYXJOUSA-N 307.438 3.457 0 40 DGAB COC(=O)c1ccc(Cl)cc1NC(=O)Cc1ccccc1 2651588 CYYQEHOWVPDQAP-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB COc1ccc(COC[C@@H](O)CN(CC(C)C)CC(C)C)cc1 2660243 WEWMYMNDIKKMQI-SFHVURJKSA-N 323.477 3.187 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1C 32768746 DOFZAJQBVVEIHS-LBPRGKRZSA-N 309.369 3.371 0 40 DGAB CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 4627958 AWEOCLXNZWABBJ-GFCCVEGCSA-N 320.414 3.247 0 40 DGAB CC(=O)Nc1ccc(NC[C@@H](O)Cn2ccc3ccccc32)cc1 4932035 AZJGVFYHZMANFI-GOSISDBHSA-N 323.396 3.073 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1cc(Cl)ccn1 32817262 MCRALNMMZKXEAF-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB O=C(O)[C@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 8274416 JLUASDQBDSOCRJ-GFCCVEGCSA-N 307.415 3.096 0 40 DGAB CCn1c(SC)nc2sc3c(c2c1=O)CC(C)(C)OC3 477617 QROOUZPAGSPRKR-UHFFFAOYSA-N 310.444 3.051 0 40 DGAB Cc1cc2occ(CC(=O)O[C@@H]3CCOC3=O)c2cc1C(C)C 32957451 IQCNHJOBXFEPOC-OAHLLOKOSA-N 316.353 3.266 0 40 DGAB CC[C@@H](C)NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 32933152 KZCFRNSWFPZAKJ-OLZOCXBDSA-N 317.458 3.427 0 40 DGAB CC(=O)NC1(c2noc(C3[C@@H]4CCCC[C@@H]34)n2)CCCCC1 104226239 ODVKPYYPZVVEPG-CHWSQXEVSA-N 303.406 3.269 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Sc2ncnc3ccsc23)on1 21917150 DMWYWHJPQCHFJA-QMMMGPOBSA-N 320.399 3.107 0 40 DGAB c1ccc(-c2nc(N3CCCCCC3)nc(-n3ccnc3)n2)cc1 1079825 RJQSGWMTLGPQKK-UHFFFAOYSA-N 320.400 3.105 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(Br)cc1F 43260392 RQPUCXBYXCWCCT-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)Cc2ccccc2C)c1 25279868 VFLASQFLNQGBNP-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB O=C(Nc1nccs1)N1CCC(COc2ccccc2)CC1 56503015 KJYVHVSNZQEFRT-UHFFFAOYSA-N 317.414 3.466 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CN(C)Cc2cccc(F)c2)c1C 57318516 PVJKFESQSUIXQU-UHFFFAOYSA-N 316.376 3.288 0 40 DGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 58054907 SYHOWVCKOCTDMV-PBHICJAKSA-N 302.418 3.176 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cccc3[nH]ccc23)[C@@H](CC)C1 89949062 HACAQIDAPGULLZ-YOEHRIQHSA-N 313.445 3.295 0 40 DGAB COc1cc(CN(C(=O)NCC2CCCC2)C2CC2)ccc1O 58157530 PFLZPKRTWVQMKS-UHFFFAOYSA-N 318.417 3.265 0 40 DGAB O=C(Nc1ccccc1)Nc1ccn(CCc2ccncc2)n1 58166169 IGPSOKXTYMAOKW-UHFFFAOYSA-N 307.357 3.165 0 40 DGAB CC(C)(C)CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58217876 WWMQBRBIIXGJTQ-GFCCVEGCSA-N 310.388 3.344 0 40 DGAB Cc1ncc(CN2CCC[C@H]2c2c(C)nn(C)c2Cl)s1 75605223 IWIGRWRSOUYEPQ-LBPRGKRZSA-N 310.854 3.484 0 40 DGAB C[C@H](Sc1nncs1)C(=O)N[C@@H]1CCCc2ccccc21 3346800 RLSPRJHWYIOXSR-GXFFZTMASA-N 319.455 3.213 0 40 DGAB Cc1ccc2ncn(Cc3nc4ccccc4s3)c(=O)c2c1 48325036 ZIPITKMIUFTFDY-UHFFFAOYSA-N 307.378 3.363 0 40 DGAB COCc1cc(C(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)no1 110629475 AQRHYYYLQVOWJN-AJNGGQMLSA-N 318.417 3.252 0 40 DGAB Cc1cc(NC(=O)COC(=O)c2ccc(C(C)(C)C)cc2)no1 3514674 LVJLWZAVPVUKJI-UHFFFAOYSA-N 316.357 3.076 0 40 DGAB CN(Cc1ccco1)C(=O)/C=C/c1cnn(-c2ccccc2)c1 12914371 WPZCDQZGCXRGMY-MDZDMXLPSA-N 307.353 3.137 0 40 DGAB Cc1cccc(OCCCN2C(=O)C(=O)c3cc(C)ccc32)c1 3647787 LWPMGQXZUIRUGC-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1ccc(Cl)s1 49376646 GLOZWTKZEQQYJN-QMMMGPOBSA-N 318.826 3.103 0 40 DGAB COc1ccc(NC(=O)c2cc(Cl)ccc2OC)c(N)c1 21013886 OKJHQAAPUAIACN-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CCNC(=O)NCc1cccc(NC(=O)Nc2ccccc2)c1 69536985 NFGBYJGNVAPBHP-UHFFFAOYSA-N 312.373 3.150 0 40 DGAB Cc1cc(C)cc(NC(=O)CCn2c(=O)oc3ccccc32)c1 4121573 SDMMBRFFSVSJLN-UHFFFAOYSA-N 310.353 3.240 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1C1CCCC1 65488430 GLZRNPFOICLVTP-INIZCTEOSA-N 310.401 3.062 0 40 DGAB Cc1nc(Cl)cc(NC[C@@H]2CCN(c3ccccc3)C2)n1 65475649 TUJRIHAEOCVNKP-ZDUSSCGKSA-N 302.809 3.377 0 40 DGAB CC(=O)NCc1ccc(C(=O)CSc2nc(C)cs2)cc1 14114876 ATOYCXRWNDUMJC-UHFFFAOYSA-N 320.439 3.063 0 40 DGAB CN(CCOC(=O)c1ccc(Br)cc1)C(C)(C)C 4591276 OHKRPKKYZQGGBO-UHFFFAOYSA-N 314.223 3.336 0 40 DGAB COc1ccc2c(c1)c([C@@H](O)CN1CCC(C)CC1)c(C)n2C 4817431 GLDCPCMYANVTJM-SFHVURJKSA-N 316.445 3.261 0 40 DGAB O=c1[nH]c(SCCc2ccccc2)nnc1-c1ccccc1 9184405 ZCSOEWCPEMCTEX-UHFFFAOYSA-N 309.394 3.167 0 40 DGAB CCc1[nH]c(C(=O)Nc2ccc(F)cc2F)c(C)c1C(=O)OC 15634236 QRXIDXJZFKNPSV-UHFFFAOYSA-N 322.311 3.203 0 40 DGAB C[C@H](CNS(=O)(=O)c1ccc(F)c(F)c1)c1ccccc1 7309587 DTMSPGMMNIEYHN-LLVKDONJSA-N 311.353 3.047 0 40 DGAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1cccs1 7846888 RDXWCFDMJPDBKG-QGZVFWFLSA-N 314.454 3.374 0 40 DGAB CCN(C)[C@H](C(=O)N(C)Cc1csc(C)n1)c1ccccc1 78402379 OPNIBWOZWVBYQX-INIZCTEOSA-N 317.458 3.103 0 40 DGAB COc1cc(C(=O)Nc2ccccc2Cl)cc2c1OCCO2 7908650 YSQQKNGNEPINQT-UHFFFAOYSA-N 319.744 3.372 0 40 DGAB CCc1nn(C)cc1NC(=O)N[C@@H](C)c1cc(C)ccc1OC 91196754 NNYXCGUANOYWEV-LBPRGKRZSA-N 316.405 3.182 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@H](C)C1 16642420 ASORHMLWEXLWDM-NSHDSACASA-N 301.415 3.386 0 40 DGAB CCOC(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 9350919 CJKOTYGGVKOLSP-RMKNXTFCSA-N 305.359 3.286 0 40 DGAB CCc1ccc(C(=O)O[C@H](CC)C(=O)Nc2cc(C)on2)cc1 9451694 MMBLNOFZYMSSLM-CQSZACIVSA-N 316.357 3.120 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 71798155 BFNWJHVTHLYAQG-QGZVFWFLSA-N 311.385 3.273 0 40 DGAB Cc1cc2cc(NC(=O)c3cccc4c3OCC(=O)N4)ccc2[nH]1 84129228 HWXVKRUVTLQGTJ-UHFFFAOYSA-N 321.336 3.060 0 40 DGAB CC(C)c1csc(CNC2CCN(c3nccs3)CC2)n1 97081092 XRHHLTLZGYJWKV-UHFFFAOYSA-N 322.503 3.482 0 40 DGAB Cc1ccccc1C[S@](=O)[C@H](C)C(=O)NC1CCCCC1 71858861 XJUJADPZYXDYRN-SPLOXXLWSA-N 307.459 3.081 0 40 DGAB O=C1N[C@@H](c2ccccc2OC(F)(F)F)Nc2ccccc21 9602185 SSJVTGHBAYSCME-ZDUSSCGKSA-N 308.259 3.439 0 40 DGAB CCc1nnc(CN[C@H](c2c(F)cccc2F)C(F)(F)F)o1 97056221 OAIAAYUNOIHHSV-GFCCVEGCSA-N 321.249 3.303 0 40 DGAB C[C@H](O)c1ccccc1NC(=O)c1cccc(-n2cccn2)c1 97046327 IVNRVEIBODDADK-ZDUSSCGKSA-N 307.353 3.178 0 40 DGAB O=C(O)C1(C(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 97080124 NALFZAHNDIOQTC-UHFFFAOYSA-N 321.336 3.033 0 40 DGAB O=C(NCC1(c2ccccc2Cl)CCOCC1)N1CCCC1 72268146 RQQDXLNGVAJANM-UHFFFAOYSA-N 322.836 3.194 0 40 DGAB COCc1cccc(C(=O)N2CCc3c(F)ccc(F)c3C2)c1 84228344 SHPCILWGPYWQAA-UHFFFAOYSA-N 317.335 3.310 0 40 DGAB OCC1CCN(Cc2cccc(NCc3ccco3)c2)CC1 84374482 NFPNUVILFHOVDW-UHFFFAOYSA-N 300.402 3.096 0 40 DGAB O=c1cc(CN2CCC(c3ccc(F)c(F)c3)CC2)occ1O 95398986 ZLLRSFNPGGQOJB-UHFFFAOYSA-N 321.323 3.003 0 40 DGAB CC1CC(C(=O)Nc2ccc(-n3cnc4ccccc43)nc2)C1 84741518 PVTIGUQZZYPCPC-UHFFFAOYSA-N 306.369 3.405 0 40 DGAB CCOC[C@H]1CCCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 73187049 CUUGFALJSVPVNI-ZDUSSCGKSA-N 320.437 3.055 0 40 DGAB C/C(=C\c1ccccc1)CNC[C@H]1CCO[C@@H]1c1cnn(C)c1 98052804 ITHKCIFGPXWUIH-RQNZRIQJSA-N 311.429 3.191 0 40 DGAB COC(=O)c1ccc(N2CCC[C@H](c3nccs3)C2)nc1C 95994693 PTADTCLTCYDYSJ-LBPRGKRZSA-N 317.414 3.017 0 40 DGAB O=C(OC[C@@H]1CCCO1)c1c(F)cc(Br)cc1F 88805155 JNCUDSKGZVDIOF-QMMMGPOBSA-N 321.117 3.063 0 40 DGAB COc1ccccc1[C@@H](CNc1nc2ccccc2n1C)N(C)C 89749743 KMBUKEFIUOSCCZ-QGZVFWFLSA-N 324.428 3.297 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2cc(C3CC3)on2)c1 25283579 CYFHTFFSYYXOCD-UHFFFAOYSA-N 323.356 3.083 0 40 DGAB C[C@H](NC(=O)[C@@H](C)n1cc(Br)cn1)c1ccccc1 32611616 ALFJFXCEHMDFLV-WDEREUQCSA-N 322.206 3.084 0 40 DGAB COc1ccccc1NC(=O)c1ccc(CN2CCCC2=O)cc1 38771457 UZJXBHCJVOSUIO-UHFFFAOYSA-N 324.380 3.070 0 40 DGAB COc1cc(C[C@@H]2COC(=O)C2)ccc1OCc1ccccc1 38207745 FKRJBUYHQOXRCE-INIZCTEOSA-N 312.365 3.380 0 40 DGAB in-vitro COCCNc1ncc(-c2onc(C)c2C)c(-c2ccco2)n1 72341071 MEGLIOMCNMVQMJ-UHFFFAOYSA-N 314.345 3.067 0 40 DGAB CN1CCN(Cc2ccc3oc(-c4ccccc4)nc3c2)CC1 216789557 BXXUPGRULHQISE-UHFFFAOYSA-N 307.397 3.242 0 40 DGAB O=C(CC1(C(=O)O)CCC1)NC1(c2ccc(Cl)cc2)CC1 195578243 PCNCUBMPACWVSQ-UHFFFAOYSA-N 307.777 3.090 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCC(C)CC2)cc1C 225812190 PEPSFPDANBHESH-UHFFFAOYSA-N 316.489 3.474 0 40 DGAB CC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225604897 LNGCFHJKXXNCNU-HNNXBMFYSA-N 315.797 3.119 0 40 DGAB COc1ccc(NC(=O)/C=C/c2c(OC)cccc2OC)cc1 149610170 WTXWWVVHWVBNAG-VAWYXSNFSA-N 313.353 3.364 0 40 DGAB CCO[C@@H]1C[C@@H](N[C@@H]2CCCn3nc(C(C)C)nc32)C12CCC2 96493443 ONUHLDHJDIIEAH-RBSFLKMASA-N 318.465 3.174 0 40 DGAB c1cc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)co1 96039800 IIGWTLYDUWSVMC-QZTJIDSGSA-N 305.418 3.077 0 40 DGAB COC(=O)c1cc(C(=O)N[C@H](C)c2cccc(Cl)c2)ccn1 96456882 PGAAPVYCJFDUCM-SNVBAGLBSA-N 318.760 3.013 0 40 DGAB CSC[C@H](NC(=O)CCc1ccncc1)c1ccccc1 96412772 YAIYUUXXECMCMT-INIZCTEOSA-N 300.427 3.235 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1 96192980 MXQRLSWIWVWBPK-SJKOYZFVSA-N 304.365 3.110 0 40 DGAB CCc1nnc(CSCc2cc(C(C)=O)ccc2OC)o1 95412869 PJNXCWFTOQMMAS-UHFFFAOYSA-N 306.387 3.277 0 40 DGAB O=C(Nc1cccnn1)N1C[C@H]2CCCC[C@]21c1ccccc1 96489165 RPEWWRJMDNAHIH-QAPCUYQASA-N 308.385 3.410 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)Cc3cccs3)C2)s1 257279707 OHUPIVYLZZZIDZ-LBPRGKRZSA-N 306.456 3.462 0 40 DGAB O=C(c1cc[nH]c1C1CC1)N(CCc1ccccc1)[C@H]1CCOC1 252488003 IGVWPEQOILZTLZ-KRWDZBQOSA-N 324.424 3.366 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](c3cccc4nccn34)C2)cn1 257338170 YWGXESBCXQGDKJ-INIZCTEOSA-N 320.396 3.058 0 40 DGAB O=C1CC[C@@]2(CCCN(Cc3cccc(F)c3)CC2)N1CCF 585100259 JDDNHNMYXSBGJQ-GOSISDBHSA-N 322.399 3.142 0 40 DGAB CCn1ccnc1[C@@H](C)NC(=O)c1cscc1C(F)(F)F 585114224 YWGCVYQXHVOWOA-MRVPVSSYSA-N 317.336 3.474 0 40 DGAB Cc1csc(CNC(=O)[C@H](C)SCc2ccccc2)n1 45040642 ULSJRXGRBQLUAU-LBPRGKRZSA-N 306.456 3.390 0 40 DGAB O=C(CCn1c(C(F)(F)F)cc2cccnc21)N1CCCC1 12337318 MOIHQZCPXWKQOT-UHFFFAOYSA-N 311.307 3.068 0 40 DGAB C=CC(=O)OCCCCCCOc1ccc(C(=O)O)c(C)c1 16282279 MADNRAFNQOYQEW-UHFFFAOYSA-N 306.358 3.362 0 40 DGAB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1c1ccc(F)cc1 16428035 KQVNBVLGFSQZQU-UHFFFAOYSA-N 313.181 3.183 0 40 DGAB CCC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 16739463 WKLGIIULCGMLEB-ZOBUZTSGSA-N 319.445 3.282 0 40 DGAB C[C@@H]1CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C[C@@H](C)O1 19717969 YHHNBMRJYBQORH-ZIAGYGMSSA-N 322.412 3.234 0 40 DGAB O=C(NCC1CCN(C2CCCC2)CC1)c1ccc(F)cc1 23127959 GSYNIEHZCCEEAL-UHFFFAOYSA-N 304.409 3.210 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1sccc1C)N2 30540698 PGPXCICGQNFEAV-HNNXBMFYSA-N 318.398 3.270 0 40 DGAB Cc1cc(C)c(NCC(=O)NC2(C#N)CCCC2)c(Cl)c1 11723344 XYGVWRHCIKEBRT-UHFFFAOYSA-N 305.809 3.321 0 40 DGAB CCOC(=O)[C@H](C)Sc1ncnc2c1oc1ccccc12 2498428 FEZXHLWOFFXJHW-VIFPVBQESA-N 302.355 3.420 0 40 DGAB COc1ccccc1C(=O)Nc1nnc(-c2ccc(F)cc2)o1 4275975 XGMZUSCWBSVXOQ-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB CNC(=O)c1ccsc1NC(=O)/C=C/c1ccccc1Cl 4281824 LNIKPSSKEYXDKP-VOTSOKGWSA-N 320.801 3.413 0 40 DGAB Cn1nc(-c2cccs2)cc1CNC(=O)c1ccsc1 1775966634 QQQKBJOCLCEMIE-UHFFFAOYSA-N 303.412 3.140 0 40 DGAB COc1ccccc1NC(=O)Cn1c(C)c(C=O)c2ccccc21 521359 UCFPPQXPVJJNEB-UHFFFAOYSA-N 322.364 3.410 0 40 DGAB O=c1nc2n(c3ccccc13)CC/C2=C\c1ccc2c(c1)OCO2 5451639 GOSMGOVWVHJPKD-UKTHLTGXSA-N 318.332 3.070 0 40 DGAB Cc1cc(C(=O)NCC[C@H](O)c2cc3ccccc3o2)c(C)o1 96097199 HBQSZVSDELQIEQ-HNNXBMFYSA-N 313.353 3.496 0 40 DGAB COc1ccc(N(C)C(=O)Nc2ccc3snnc3c2)cc1 94991 OZGAQMYMLXHKEX-UHFFFAOYSA-N 314.370 3.368 0 40 DGAB CN1CCC[C@@H](CSc2nncn2CCc2cccs2)C1 71804191 DTBRNZNZJWSIFZ-CYBMUJFWSA-N 322.503 3.016 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(F)cc2F)c1 3231731 GBJXLNKXCOVYHW-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB COc1ccccc1NC(=O)NCC1(N(C)C)CCCCC1 2617462 QPMZHWNTQQZUAV-UHFFFAOYSA-N 305.422 3.081 0 40 DGAB CC(=O)c1ccc(NC(=S)Nc2ccccc2CO)cc1 2659674 GGHGMYIDGJBSCY-UHFFFAOYSA-N 300.383 3.190 0 40 DGAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccccc2F)o1 7602138 CPWREOGGVSXVCK-UHFFFAOYSA-N 304.350 3.392 0 40 DGAB Cc1ccnc(SCc2cc(O)n(-c3ccccc3C)n2)n1 10157388 DHUXOOMMKGNAQO-UHFFFAOYSA-N 312.398 3.277 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccc(C(=O)O)cc3)cc2c1 8166209 CVDRZFOROHISQL-UHFFFAOYSA-N 311.293 3.392 0 40 DGAB c1cc2c(c([C@H]3CCCN3c3nc(C4CC4)no3)c1)OCCO2 76686135 UVDJKPCPWKLAOU-CYBMUJFWSA-N 313.357 3.060 0 40 DGAB Cc1ccc(NC(=O)N(C)C[C@H]2COc3ccccc3O2)cc1 46703943 PXNGAHLGRSIMBI-HNNXBMFYSA-N 312.369 3.299 0 40 DGAB COCCOc1ccccc1C(=O)N[C@H](C)c1ccccc1F 52959684 SLQJSNXTQPYFPY-CYBMUJFWSA-N 317.360 3.342 0 40 DGAB Cc1ccccc1-c1nnc(SCc2cccc(F)c2)n1N 533056 RAQWTQQQIMLXCL-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(O)nn1 545083 UUHSXWMRAQXLCY-UHFFFAOYSA-N 307.309 3.227 0 40 DGAB O=c1[nH]c(=O)n(C2CCCCC2)c2nccc(-c3ccccc3)c12 9936553 ONAOCDFJWHJGDY-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(-c2nc(C)cs2)cc1 69897721 GIIZXRLXMNCLCB-SNVBAGLBSA-N 305.403 3.275 0 40 DGAB CCCOc1ccccc1NC(=O)c1ccc(-n2cncn2)cc1 22355073 KRGOBJBRZVQCDC-UHFFFAOYSA-N 322.368 3.308 0 40 DGAB CC(C)CCC[C@@H](C)NC(=O)c1cn(C)nc1C(F)(F)F 47196217 QDGBBVKBYCMEET-SNVBAGLBSA-N 305.344 3.384 0 40 DGAB CCn1ncc(CNC(=O)c2cccc(C(F)(F)F)c2)c1C 28575113 SQAQUFUGAGOOJJ-UHFFFAOYSA-N 311.307 3.160 0 40 DGAB COCc1ccccc1CNC(=O)C1(c2ccc(F)cc2)CC1 23132633 BAUVMXRQZUGXIV-UHFFFAOYSA-N 313.372 3.320 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc2C1 23748651 VNPFOYVWGDURHS-ZDUSSCGKSA-N 305.381 3.042 0 40 DGAB Cc1csc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 105206251 RHAXHHTZOWWQJW-CYDGBPFRSA-N 310.488 3.485 0 40 DGAB O=C(CNc1ccccc1F)Nc1ccc(N2CCCC2)cc1 12536943 FRSMABSDUFKNLP-UHFFFAOYSA-N 313.376 3.477 0 40 DGAB Cc1ccnc2c(N3C(=O)[C@H]4CC=CC[C@@]4(C)C3=O)cccc12 26503875 YPLYKJQCTIPVQH-AUUYWEPGSA-N 306.365 3.389 0 40 DGAB Cn1cnc2c1CCN(Cc1c(Cl)ccc3cccnc13)C2 71878930 MBLLPROFWZJCHX-UHFFFAOYSA-N 312.804 3.180 0 40 DGAB CCOC(=O)c1c(CCc2ccc3c(c2)OCO3)csc1N 3268118 NFAGYALYGULDLM-UHFFFAOYSA-N 319.382 3.021 0 40 DGAB CC(C)COc1ccc(C(C)(C)C(=O)NC2=NCCS2)cc1 107424869 MWMITXKSAOQOTG-UHFFFAOYSA-N 320.458 3.218 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCSc3c(F)cccc32)c1 12622548 VZVIMYVLPFCAEK-CYBMUJFWSA-N 318.373 3.323 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2c(Cl)n1)[C@@H]1CCCO1 35239068 PLSMVYFZZKJAOZ-HZMBPMFUSA-N 304.777 3.186 0 40 DGAB Cc1ccccc1C[S@@](=O)CC(=O)Nc1ccc(F)cc1F 71858836 RIGWCOVMKNTGST-QFIPXVFZSA-N 323.364 3.161 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 26754321 URGZXSSADFBNAF-GJZGRUSLSA-N 313.397 3.382 0 40 DGAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccnc1Cl 71894173 AHVJXWSBKGXJRF-DOMZBBRYSA-N 316.788 3.337 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccsc1 12680327 SXLRWWCJTBGVIV-GFCCVEGCSA-N 316.426 3.458 0 40 DGAB CC1(C)COCCN1C(=O)c1csc(-c2ccccc2)n1 58208575 NRGPUKMGKMWPIN-UHFFFAOYSA-N 302.399 3.061 0 40 DGAB CSc1sc(NC(=O)c2ccc3[nH]cnc3c2)nc1C 58343328 XASOKKPKZLATSY-UHFFFAOYSA-N 304.400 3.302 0 40 DGAB Clc1ccc2c(N3CCC(c4ncc[nH]4)CC3)ncnc2c1 58329774 SNHOWPSMKSNJPH-UHFFFAOYSA-N 313.792 3.390 0 40 DGAB O=C(NCC1(c2cccc(Br)c2)CCC1)C1CC1 58341659 NHJSYKQVOGTKGE-UHFFFAOYSA-N 308.219 3.397 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)cn1 58304635 LIOFOXFBYWCQLO-ZDUSSCGKSA-N 306.369 3.271 0 40 DGAB COc1cc(/C=C/C(=O)OCCOc2ccccc2)ccc1O 3333649 ZWZUTPGAOOJOBE-CSKARUKUSA-N 314.337 3.036 0 40 DGAB COc1ccc(C(=O)COC(=O)c2ccc(C)cc2)c(OC)c1 3323727 MBHJJXVTCYFSAQ-UHFFFAOYSA-N 314.337 3.052 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(-n2cncn2)cc1 12986400 QUTPGWIRGIZAOC-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CC(C)[C@H]1Nc2ccccc2C(=O)N1CCCCCC(=O)O 62716006 PBNYDSGNTDNCIB-INIZCTEOSA-N 304.390 3.181 0 40 DGAB O=C(Nc1nc(-c2ccccc2)n[nH]1)c1ccc2ccccc2n1 8776378 OCGKNBFDFLEJKQ-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CC(=O)NC(C)(C)c1noc(Cc2cccc3ccccc23)n1 89954584 APRASWZWCBIXIN-UHFFFAOYSA-N 309.369 3.185 0 40 DGAB CCOC(=O)c1sc(NC(=O)CCc2ccsc2)nc1C 8704456 GQLPELYBLCCAHX-UHFFFAOYSA-N 324.427 3.261 0 40 DGAB O[C@@H](CNCc1cccc(Oc2ncccn2)c1)c1ccccc1 13731635 PKELWPLYUJVFEW-SFHVURJKSA-N 321.380 3.092 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)cn1 71796807 NKMRYQFYNOOELS-MSOLQXFVSA-N 309.413 3.204 0 40 DGAB CCCCOc1ccccc1/C=C/C(=O)N[C@H](C(=O)O)C(C)C 62714941 UZUISYPTVPBRME-DVQDXYAYSA-N 319.401 3.104 0 40 DGAB CC[C@H](C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 13843259 HEGYUYUJZMBOTD-JTQLQIEISA-N 303.387 3.380 0 40 DGAB CCO[C@H]1C[C@@H]1C(=O)Nc1nc2ccccc2n1-c1ccccc1 71933959 IYULYENSPSURMV-YOEHRIQHSA-N 321.380 3.389 0 40 DGAB COc1cccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)c1 4393766 XELMGLHYFHOFHI-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1ccoc1C(=O)Nc1ccccc1OCCn1ccnc1 65620531 XDBIVOYCXCWKGX-UHFFFAOYSA-N 311.341 3.116 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)NC1C2CC3CC(C2)CC1C3 6552189 UINCWXQKSPZWFU-DEEYCZAXSA-N 324.468 3.379 0 40 DGAB O=C(O)CC1(CC(=O)Nc2ccc3c(c2)OCO3)CCCCC1 6585320 CRLSRHRXAKFKPE-UHFFFAOYSA-N 319.357 3.169 0 40 DGAB COc1cc(C(=O)OCc2ccccc2C)cc(OC)c1OC 6611283 FXHYJYAXWFCGQZ-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB CCc1ccc2c(c1)C(=O)C(=O)N2CCC(=O)c1ccccc1 6760500 IFIDIQIOSBXFHF-UHFFFAOYSA-N 307.349 3.051 0 40 DGAB O=C([C@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCCCC1 4976720 NNHRXJYMWAPREO-ZDUSSCGKSA-N 320.820 3.096 0 40 DGAB Cc1ccc(C(=O)CSc2nnnn2-c2ccccc2)s1 7121264 PQVKCOLHEKLIDS-UHFFFAOYSA-N 316.411 3.007 0 40 DGAB CCOc1ccccc1CCC(=O)Nc1ccc2c(c1)OCO2 7125099 QACLKKQKBSOKMC-UHFFFAOYSA-N 313.353 3.385 0 40 DGAB CC(C)C(=O)Nc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 15561123 XVULDTVZTJJEJC-UHFFFAOYSA-N 322.368 3.410 0 40 DGAB COc1cccc(NC(=S)NCC2(N(C)C)CCCCC2)c1 7583672 IHNIQUGGQNACCY-UHFFFAOYSA-N 321.490 3.246 0 40 DGAB COC(=O)c1cc(COC(=O)c2cc(C)sc2C)oc1C 7762900 NNJADZQCGQPWER-UHFFFAOYSA-N 308.355 3.410 0 40 DGAB O=C(NC1=NCCS1)c1ccc(SC(F)(F)F)cc1 9315110 FEHSJWNGJXDKBA-UHFFFAOYSA-N 306.334 3.131 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccsc1 8256215 AMFUYDMPPKXYOK-NSHDSACASA-N 319.382 3.249 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(-n3cccn3)cc2)c1 69459791 PKALIVIHIHTYIX-JKSUJKDBSA-N 309.417 3.117 0 40 DGAB CC(=O)c1csc(C(=O)N2CCCc3cccc(O)c32)c1 97048485 IQPDOVJGLQHZAB-UHFFFAOYSA-N 301.367 3.249 0 40 DGAB Cc1ccc2c(n1)OCCN2C(=O)c1cc(C)n(C2CC2)c1C 97046276 NUJURXNAOGUCJF-UHFFFAOYSA-N 311.385 3.182 0 40 DGAB CCO[C@@H]1C[C@@H](N[C@@H]2CCCn3nc(C(C)C)nc32)C1(C)C 97034652 LMLJOYQFPRFQSL-MGPQQGTHSA-N 306.454 3.030 0 40 DGAB O=C(Nc1ccccc1O)c1csc(Nc2ccccn2)n1 72290875 RPKNADCWHTZPGE-UHFFFAOYSA-N 312.354 3.240 0 40 DGAB CC(C)Nc1cccc(C(=O)NCC[C@@H](O)c2ccccc2)c1 72311536 ABRPROVZKNTSMD-GOSISDBHSA-N 312.413 3.360 0 40 DGAB O=C([C@H]1CCCN1Cc1ccccc1)N1CCc2ccccc2C1 95369315 LGMWREIOQWISTR-HXUWFJFHSA-N 320.436 3.236 0 40 DGAB Fc1ccc(-n2cccn2)c(NCc2nnsc2Cl)c1 95410498 IFGJEZFJGYCRJH-UHFFFAOYSA-N 309.757 3.128 0 40 DGAB Nc1nc(Cl)cc(N2CCC[C@H]2/C=C/c2ccccc2)n1 95468390 FFAMCVVHCOPORA-XEHSLEBBSA-N 300.793 3.394 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCOCc2ccccc2)c1 177055841 LRKNSWYRRUZACX-UHFFFAOYSA-N 313.397 3.015 0 40 DGAB CC[C@@H]1CC[C@@H](C)N1C(=O)Nc1cc(C(=O)NC)ccc1C 95459120 BEGGGNKSJYVGQW-TZMCWYRMSA-N 303.406 3.149 0 40 DGAB COc1ccc(OC)c(CNCc2c(OC)cccc2OC)c1 95435777 UWIWYCAPPVQPJV-UHFFFAOYSA-N 317.385 3.011 0 40 DGAB Cc1cnc(C(=O)N2CCCc3cc(Cl)cc(C)c32)cn1 75140520 NBFYUCVVBDKSIQ-UHFFFAOYSA-N 301.777 3.340 0 40 DGAB Cc1ccc(C(=O)N(C)C2CCC(c3ccccc3)CC2)c(=O)[nH]1 75121991 QGFUFCRGGNBBDC-UHFFFAOYSA-N 324.424 3.482 0 40 DGAB COCCN(C)C(=O)c1cnc(-c2ccc(C)cc2C)s1 61187894 UPYHTJKPZXGLGD-UHFFFAOYSA-N 304.415 3.145 0 40 DGAB CN(C)c1ncccc1CNC(=O)c1cccc(C(F)(F)F)c1 32686762 RKBMIWCPTGPSGJ-UHFFFAOYSA-N 323.318 3.096 0 40 DGAB Cc1cc(C)cc(C(=O)N(C)c2nnc(-c3cccnc3)s2)c1 35312750 HMQFAQZEZZTVLL-UHFFFAOYSA-N 324.409 3.494 0 40 DGAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@H](O)C1 189332053 MTYXLNWBOWQSAO-ZDUSSCGKSA-N 324.808 3.117 0 40 DGAB O=C(O)[C@H](c1cc(Br)cs1)N1CCCCC1 41678547 VQPXSLFOXZWFTB-JTQLQIEISA-N 304.209 3.122 0 40 DGAB Cc1ccc(N(C)CCNC(=S)Nc2ncccc2C)cc1 225796843 LYZIMEZHERKVGY-UHFFFAOYSA-N 314.458 3.121 0 40 DGAB CCN(C(=O)COC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 46468235 BRJUETAXNHIERA-UHFFFAOYSA-N 322.364 3.378 0 40 DGAB COc1ccc(-c2cnn(CCCC(=O)NC(C)(C)C)c2)cc1 227166255 SWXHLEFFEIWKNB-UHFFFAOYSA-N 315.417 3.254 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 222973470 MMPZDMZUONYOIN-JKSUJKDBSA-N 314.458 3.193 0 40 DGAB O=C1Nc2cc(Cl)ccc2[C@H]1Cc1ccc2c(c1)OCCO2 40287045 RFEJOFVDILVVCM-CYBMUJFWSA-N 315.756 3.390 0 40 DGAB CC(C)COc1nn(C)c2ccc(SCCC(=O)O)cc12 225774455 JQTVJKVFRJRUKN-UHFFFAOYSA-N 308.403 3.175 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCC 225199284 UWLLEFXOSYKXPF-AWEZNQCLSA-N 322.424 3.259 0 40 DGAB CCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1C 225889819 RSALYXIVETWHJT-SJKOYZFVSA-N 306.406 3.323 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H]2[C@@H]2CCCOC2)cc1 576584312 CKPGKHKKUTYHTG-SJLPKXTDSA-N 311.429 3.468 0 40 DGAB c1coc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 96109310 ZEMDHKZBBSDAAW-MJGOQNOKSA-N 312.413 3.494 0 40 DGAB CC[C@H](O)c1ccc(OCc2noc(-c3ccoc3)n2)cc1 96417356 SMLVQXSWGJAVHI-AWEZNQCLSA-N 300.314 3.352 0 40 DGAB CC(C)CCc1nc(Cn2ccnc2-c2cnccn2)cs1 96447964 SRETVEMAHOKUFX-UHFFFAOYSA-N 313.430 3.434 0 40 DGAB O=C(NC1CCOCC1)NC(c1cccs1)c1cccs1 96415287 NFIVSOFKYLFPOS-UHFFFAOYSA-N 322.455 3.377 0 40 DGAB Cc1ccc(O[C@H](C)CNC(=O)Nc2c(C)noc2C)cc1 96434388 YUJKSLJYAPUXFR-LLVKDONJSA-N 303.362 3.189 0 40 DGAB COc1c(F)cc(NC(=O)N2C[C@H](C)S[C@@H](C)C2)cc1F 96434185 GCGFRJLRBUACHM-IUCAKERBSA-N 316.373 3.331 0 40 DGAB c1cc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)cs1 96107246 AAONOPOVCOGAGK-SJORKVTESA-N 307.459 3.298 0 40 DGAB C[C@@H]1C(=O)Nc2ccccc2CN1Cc1ncc(Cl)s1 585116251 NTFMOCZGPNQYEX-SECBINFHSA-N 307.806 3.139 0 40 DGAB Cn1nc(C(F)(F)F)cc1CNCc1cc(F)ccc1F 256052247 MNYVZGXJNYNBQT-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB CC(=O)N1CCC(c2cccc(Nc3nc(C)cs3)n2)CC1 257205617 AZWRLMMCRGJHSK-UHFFFAOYSA-N 316.430 3.316 0 40 DGAB COc1ccc2c(c1)[C@H](C(=O)N[C@@H](C)c1ncc(C)s1)CC2 277682701 OWPUEJYQBAUNAI-SMDDNHRTSA-N 316.426 3.367 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)o1 44895550 SUOMHTGKBYMNNJ-GXFFZTMASA-N 316.332 3.030 0 40 DGAB Cc1nc(-c2ccc(CNC(=O)Nc3cn[nH]c3)cc2)cs1 57029317 CDAOPMLDZLNXOG-UHFFFAOYSA-N 313.386 3.163 0 40 DGAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)N2CCCCCC2)c1 68934233 OTQNJOGTDXPIQZ-CQSZACIVSA-N 319.401 3.068 0 40 DGAB Cc1cccc(OCCN(C)[C@@H](C)C(=O)NC2CCCCC2)c1 12785111 HQCYTEYSNKNLBP-INIZCTEOSA-N 318.461 3.143 0 40 DGAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2F)n1 607853301 JCXJUIKFDGQIPL-GOSISDBHSA-N 313.376 3.384 0 40 DGAB COC(=O)c1cc(-c2c(C)oc3cc(O)ccc3c2=O)c(C)o1 4200564 ZMXFFUYGRAPFJA-UHFFFAOYSA-N 314.293 3.162 0 40 DGAB CCC(=O)N1CCN=C1SCc1c(F)cccc1Cl 4120136 DRIZRWVQBHJRBS-UHFFFAOYSA-N 300.786 3.321 0 40 DGAB Cc1ccc(NC(=O)c2ccn(C)n2)c(C(=O)c2ccccc2)c1 13667839 DLQAPMFMAHFKKT-UHFFFAOYSA-N 319.364 3.212 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@@H]2C)cc1 7404541 OKNWQJUNWGRFEX-ZDUSSCGKSA-N 317.410 3.225 0 40 DGAB Cn1cc(-c2nc(C(=O)Nc3ccc4c(c3)CCC4)cs2)cn1 40143146 BSSUYSRSIIQWET-UHFFFAOYSA-N 324.409 3.285 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2C(=O)Nc3ccccc32)C1 100130713 HXCXILHDJLTTKB-IUODEOHRSA-N 316.401 3.369 0 40 DGAB in-vitro Cc1oc(-c2cccs2)nc1C(=O)N[C@H](C)[C@@H]1CCCO1 40533956 QUNFNFFSGIOADC-KOLCDFICSA-N 306.387 3.009 0 40 DGAB O=C(NC(=S)Nc1cc(-c2ccccc2)n[nH]1)c1ccccc1 165745 FDQOFKZIFUCASM-UHFFFAOYSA-N 322.393 3.204 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 260246 SQVDVDSCVDSNEV-XJKSGUPXSA-N 300.402 3.122 0 40 DGAB CCOC(=O)CCCC(=O)c1ccccc1CN1CCCC1 2515592 MRUNJKILMAUUTO-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB O=C(CSc1nnc(-c2ccco2)o1)Nc1ccccc1 350731 VPLGIHZYOMITDZ-UHFFFAOYSA-N 301.327 3.060 0 40 DGAB Cc1ccccc1-c1nnc(SCC(=O)NC2CCCC2)o1 417847 HPPQYMUDKZLMST-UHFFFAOYSA-N 317.414 3.196 0 40 DGAB Cc1c(Cl)cccc1-n1ccn(CN2CCOCC2)c1=S 20630477 RCBIMWGQILXUKS-UHFFFAOYSA-N 323.849 3.260 0 40 DGAB CC(C)Cc1nnc([C@@H](C)N2CCN(c3ccccc3)CC2)o1 69774791 ZZAHFOIUBCRGKB-OAHLLOKOSA-N 314.433 3.151 0 40 DGAB COc1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 320057 NASHCQWZDDQTGU-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2nc3ccccc3s2)cc1 328279 POPXSGHZSFJPIO-UHFFFAOYSA-N 312.350 3.335 0 40 DGAB Cc1ccc(C(=O)c2ccccc2NC(=O)CCC(=O)O)cc1 4077153 UIKPTWXHFUCVPV-UHFFFAOYSA-N 311.337 3.029 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COc1ccccc1C=O 4201625 KHVUYHUYJDRKQI-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB Cc1ccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c(C)c1 6964995 FZKDNTHSPBYESW-MHWRWJLKSA-N 323.396 3.233 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1cccc(Cl)c1Cl 2654382 HHZQIAXGLBWXCT-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB CCCCn1c(C)c(C)c2c(=N)n(Cc3ccccn3)cnc21 101474357 NXIMNWZJSBAOCV-UHFFFAOYSA-N 309.417 3.178 0 40 DGAB O=C1NC(=O)[C@H]2[C@@H]1[C@@H](c1ccccc1)C=C[C@H]2c1ccccc1 103534505 URKRCAKITCRYFK-FZDBZEDMSA-N 303.361 3.013 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(Cc2cccc(F)c2)CC1 52909349 LZFPELRTVKTVHN-UHFFFAOYSA-N 308.397 3.315 0 40 DGAB O=C1SCCN1CN1CCC(c2nc3ccccc3o2)CC1 41887027 NNPZWWXAEXOIPQ-UHFFFAOYSA-N 317.414 3.134 0 40 DGAB O=C(COC(=O)c1ccc(-c2ccccc2)cc1)NCC1CC1 22689658 OJSUDJOXCZJFSO-UHFFFAOYSA-N 309.365 3.037 0 40 DGAB c1ccc(-c2nnn(Cc3csc(-c4ccco4)n3)n2)cc1 25376857 JLFFPCPHLDFICA-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB Cc1noc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1 23493161 GSBNUGUMJRUIIE-UHFFFAOYSA-N 311.341 3.095 0 40 DGAB Cc1csc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 28248838 BFXSDOMFZJECRH-UHFFFAOYSA-N 308.428 3.131 0 40 DGAB CCCn1c(NS(=O)(=O)c2cccs2)nc2ccccc21 28233019 RWKKUAIDQBHECN-UHFFFAOYSA-N 321.427 3.309 0 40 DGAB CS[C@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 43037593 XWQCPDTWIQQJRO-VXGBXAGGSA-N 304.415 3.285 0 40 DGAB c1ccc2c(-c3nnc(SC[C@@H]4CCCO4)o3)c[nH]c2c1 25254867 UYZLKAHYHURTGC-JTQLQIEISA-N 301.371 3.489 0 40 DGAB O=C(c1ccccc1O)N1CCC(c2nc3ccccc3[nH]2)CC1 25838730 YWONCOLLZHQHAF-UHFFFAOYSA-N 321.380 3.288 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105604 KAYRQOUGKRMBSZ-QBPKDAKJSA-N 300.402 3.147 0 40 DGAB C[C@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1cccs1 44891225 KRTZRIUOMAYMIZ-NWDGAFQWSA-N 307.419 3.004 0 40 DGAB COc1ccc(N(C)C(=O)Cc2c[nH]c3ccccc23)cc1OC 62146956 ZMBWOSZLIOZXCK-UHFFFAOYSA-N 324.380 3.391 0 40 DGAB O=C(CCNC(=O)c1ccsc1)Nc1cccc(Cl)c1 12777227 YETXIHDIWSGFOH-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(C)c(F)c1 7976350 NOUGFQORJJOPTK-UHFFFAOYSA-N 300.333 3.387 0 40 DGAB CC(C)CNC(=O)C[S@@](=O)Cc1ccc(Cl)cc1Cl 13009942 MTVZFYYNUJBKMM-LJQANCHMSA-N 322.257 3.014 0 40 DGAB CCN(C(=O)c1cn2cccnc2n1)[C@H](C)c1ccc(F)cc1 70009301 VGCXGXFACXVLTM-GFCCVEGCSA-N 312.348 3.092 0 40 DGAB Cc1ccnc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)c1 16985930 BEIJUHQQVLMUHN-UHFFFAOYSA-N 314.360 3.216 0 40 DGAB Cc1cc(C)n(C[C@@H](C)NC(=O)C(C)(C)c2ccccc2F)n1 69486651 BRGQQQNSVHMDND-CYBMUJFWSA-N 317.408 3.122 0 40 DGAB O=C(Cc1ccccc1O)N[C@H](c1ccccc1)c1ccccn1 65522312 LEBFXUVALHSQJV-HXUWFJFHSA-N 318.376 3.236 0 40 DGAB COc1nc(C(=O)N2CCn3cccc3[C@H]2C)cc2ccccc12 65551785 XQQLVXPBCJOHJA-CYBMUJFWSA-N 321.380 3.262 0 40 DGAB O=C1C(=O)N(CN2CCC[C@@H]2c2ccccc2)c2ccccc21 14112648 JNOQVXGDSMHTMD-MRXNPFEDSA-N 306.365 3.011 0 40 DGAB CCCCCc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 5617028 HKEZOIQALBSQOM-UHFFFAOYSA-N 319.430 3.461 0 40 DGAB O=C(CSc1ncc2ccccn12)N1CCc2ccccc2C1 8707858 XYEXBCDLPZEIRU-UHFFFAOYSA-N 323.421 3.011 0 40 DGAB C[C@@H](NC(=O)CCc1ccccc1O)c1nc2ccccc2[nH]1 9466817 YDJCOVQUZWCKTH-GFCCVEGCSA-N 309.369 3.079 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](NC[C@@H](C)c3ccccc3)C2=O)cc1 19889488 YWJWWPVGOBPONZ-CRAIPNDOSA-N 322.408 3.020 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)[C@H]2Cc3ccccc3O2)s1 71883132 JVKXDWPVOFSAGO-IAQYHMDHSA-N 316.426 3.283 0 40 DGAB C[C@@H](N(C)C(=O)c1ccc(-c2ccco2)[nH]c1=O)C(C)(C)C 71839145 XROJQDMJINLQOP-LLVKDONJSA-N 302.374 3.142 0 40 DGAB c1ccc(COc2ccc(CN3CCO[C@H]4CCC[C@@H]43)cc2)nc1 71904866 LROVKGJVHVTQKZ-PMACEKPBSA-N 324.424 3.414 0 40 DGAB C[C@H]1OCCN(C(=O)Nc2ccccc2OCC2CC2)[C@@H]1C 97048706 XAGJFPKUURYPAB-CHWSQXEVSA-N 304.390 3.117 0 40 DGAB Cc1cc(C(=O)Nc2ccnc(Oc3ccccc3)c2)nn1C 72284822 KWQZOSDQAKSUIH-UHFFFAOYSA-N 308.341 3.168 0 40 DGAB CC[C@@H](NC(=O)c1cc(C(N)=O)cs1)c1cc(F)ccc1F 72293679 WTDPGHZZNIQIJI-GFCCVEGCSA-N 324.352 3.006 0 40 DGAB C[C@H]1CN2CCC[C@@H]2CN1Cc1coc(-c2cccs2)n1 72282342 APCPMVDYDWJSDV-GXTWGEPZSA-N 303.431 3.072 0 40 DGAB CONC(=O)c1cc(NCc2ccccc2)nc2ccccc12 72289253 JFKDFWMHAJARGV-UHFFFAOYSA-N 307.353 3.138 0 40 DGAB COc1ccc(CNC(=O)c2cn[nH]c2-c2cccc(C)c2)cc1 72329108 MSZCOQVVLDAKLZ-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB C[C@@H](NC(=O)N(C)CC1CCC1)c1cccc(-n2cccn2)c1 76091719 GQSUJDMOHKHSPQ-CQSZACIVSA-N 312.417 3.375 0 40 DGAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nccnc2c1 95348951 GBOFQAYBOIPXIG-RYUDHWBXSA-N 323.318 3.481 0 40 DGAB CCC(CC)[C@H]1C[C@@H](NCc2ccc(C(=O)NC)cc2)CCO1 95465776 UMMZLNDEIITCOS-ZWKOTPCHSA-N 318.461 3.120 0 40 DGAB O=C(Nc1ccccc1O)[C@H]1CCCCN1C(=O)c1ccccc1 95442653 WINUQFAGWZDKDL-MRXNPFEDSA-N 324.380 3.026 0 40 DGAB Cc1cc(CC(=O)Nc2ccccc2N(C)C2CCCC2)n[nH]1 95417036 RQCSYTDMTIKFJR-UHFFFAOYSA-N 312.417 3.278 0 40 DGAB Cn1cccc1[C@@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1Cl 88574355 YLCRJLQQABWGRM-LBPRGKRZSA-N 318.808 3.256 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@H]1OCC[C@H]1C 95971492 HYXRWUMLLLYDMD-MFKMUULPSA-N 317.307 3.016 0 40 DGAB COc1ccc(NC(=O)N2CCCC[C@H]2CCN(C)C)cc1 95981266 PIMDOPIDIKHJGB-HNNXBMFYSA-N 305.422 3.033 0 40 DGAB COC(=O)c1ccc(NCc2nnc(C(C)(C)C)o2)cc1Cl 79066008 BQVJJGWDOPZUJS-UHFFFAOYSA-N 323.780 3.419 0 40 DGAB O=C(Nc1ccccn1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 89261775 QTKPUGRFXVKPJC-ZFWWWQNUSA-N 317.776 3.387 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](O)c1ccsc1 89534401 FWEQVQUQTCJJTQ-CQSZACIVSA-N 300.383 3.001 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)[C@@H]3C[C@@H]3c3ccco3)c2)cn1 89756562 UVTQIRFANJNXRA-JKSUJKDBSA-N 322.368 3.499 0 40 DGAB Cc1nc(CNc2ccc3cccc(Br)c3n2)no1 89718403 DPJXXSQMBSZQBA-UHFFFAOYSA-N 319.162 3.301 0 40 DGAB COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1 29474324 JUKMAYKVHWKRKY-QWHCGFSZSA-N 302.201 3.392 0 40 DGAB C[C@H]1CCc2onc(C(=O)NCc3cccc(Cl)c3)c2C1 20572090 XEQAYOMKKNJEPN-JTQLQIEISA-N 304.777 3.383 0 40 DGAB C[C@H]1C[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)CC[C@H]1C 129036002 GKHHNHMTTRLLJF-KEYYUXOJSA-N 309.475 3.146 0 40 DGAB COc1ccccc1[C@H]1Nn2c(nnc2-c2ccccc2)S1 3843126 AWRXJXOAJIHKFU-HNNXBMFYSA-N 310.382 3.302 0 40 DGAB biogenic CC(C)Cn1ccnc1CNC(=O)N1CC[C@H]2CCCC[C@H]21 74536856 VFIRGYWDYKRRML-HUUCEWRRSA-N 304.438 3.013 0 40 DGAB COCc1ccccc1NC(=O)N1CCOC[C@H]1CC(C)C 77201688 BKHQUMSTIIOHBO-OAHLLOKOSA-N 306.406 3.112 0 40 DGAB Cc1cnc(CN2CCC(c3nc4ccccc4[nH]3)CC2)cn1 78922709 CEVYHCUFQVAAHD-UHFFFAOYSA-N 307.401 3.041 0 40 DGAB O=C(c1ccncc1)N1CC[C@@H](Cc2cccc3cccnc23)C1 72368272 YRQOFZXIHCVUIY-HNNXBMFYSA-N 317.392 3.335 0 40 DGAB CCN(Cc1ccccn1)CC1CCN(c2ccccn2)CC1 76108483 QJMYRJBUSADBJB-UHFFFAOYSA-N 310.445 3.215 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2cnc3ccccc3n2)C1 78987437 MHPSIGGVYVFVAD-CYBMUJFWSA-N 315.442 3.378 0 40 DGAB COC(=O)c1cc(NC(=S)NCC(C)C)ccc1Cl 225275797 VRMMPLICCBODTJ-UHFFFAOYSA-N 300.811 3.069 0 40 DGAB COc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224073280 UOKVAMYHHWWGJP-LMMKCTJWSA-N 312.457 3.025 0 40 DGAB CCOc1ccc(C(=O)Nc2nnc(SC)s2)cc1C 224661593 LGCOGGVDULPAMO-UHFFFAOYSA-N 309.416 3.219 0 40 DGAB CC1CCN(C(=O)c2cc3cccc(Cl)c3oc2=O)CC1 226040216 BVTWNMPEZALWKV-UHFFFAOYSA-N 305.761 3.319 0 40 DGAB CCNc1nnc(S[C@H]2CCc3ccccc3NC2=O)s1 191739864 AYMWJZBWGTXDEG-NSHDSACASA-N 320.443 3.016 0 40 DGAB Cc1nc(C)c(CN[C@H]2CCN(c3ncccc3Cl)C2)s1 96462951 RJGAYHPWFYSODM-LBPRGKRZSA-N 322.865 3.177 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C1(C)C 96415413 SKYZPINMACMSFN-QJPTWQEYSA-N 311.451 3.015 0 40 DGAB CCC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 96158409 ALGVKKUESULGTM-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB CCOC[C@H]1COCCC12CCN(Cc1ccsc1)CC2 96106387 RVVUWPGITWPXHT-INIZCTEOSA-N 309.475 3.403 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 96434864 NULDZPWFPZAPQZ-NRFANRHFSA-N 308.447 3.468 0 40 DGAB O=C(c1cscn1)N1CCOc2ccc(C(F)(F)F)cc21 96473798 LWPIKJNJYMMPAZ-UHFFFAOYSA-N 314.288 3.201 0 40 DGAB C[C@@H]1CCN(C)c2ccccc2N1C(=O)[C@H]1C[C@@H]1c1cccnc1 248108500 GMEVBHTUBJWWKI-OIISXLGYSA-N 321.424 3.447 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4[nH]ncc4C)C3)coc2c1 257317153 VIOYGPDNWRJEKS-CQSZACIVSA-N 323.396 3.331 0 40 DGAB Cc1ccnc(NCc2ccc(-c3ccccc3C(=O)O)cn2)n1 257343580 ZTOJNQSNCAEREB-UHFFFAOYSA-N 320.352 3.157 0 40 DGAB FC(F)(F)c1cccc(OCc2cc([C@H]3CCNC3)n[nH]2)c1 257317121 VIMKHTSIIXNHTL-JTQLQIEISA-N 311.307 3.084 0 40 DGAB CO[C@@](C)(CNC(=O)/C=C/c1ccoc1)c1ccccc1F 96123556 ZXWSFMDKYJWAAH-OZSKJFCKSA-N 303.333 3.110 0 40 DGAB Cc1ccc(CN[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 97103491 BYQKRHHPTIUBMB-HUUCEWRRSA-N 319.449 3.316 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)Oc2ccccc2OC)c1 3289443 RLOLKQIXLNRPES-DHZHZOJOSA-N 314.337 3.331 0 40 DGAB Cc1ccc(OCc2nc3ccccc3c(=O)n2N)c(C(C)C)c1 5698129 CZOFKWDCRIJPCF-UHFFFAOYSA-N 323.396 3.121 0 40 DGAB O=C(O)c1ccccc1C(=O)OC[C@@H]1CCc2ccccc2C1 5733590 RWJNXDPIIWEQLC-CYBMUJFWSA-N 310.349 3.347 0 40 DGAB COC(=O)c1ccc([C@H]2NN=C(c3ccc(C)cc3)S2)cc1 5745624 QSOPERLAWYUKEI-INIZCTEOSA-N 312.394 3.478 0 40 DGAB Cc1cc(-c2cnc(N3CCCCC3)nc2[C@H]2CCCO2)on1 12142259 MIXKETYBILOGED-CQSZACIVSA-N 314.389 3.282 0 40 DGAB CC(=O)c1cccc(N[C@H](C(=O)NC2CC2)c2ccccc2)c1 12561889 PGYDYLQOGQVXNH-SFHVURJKSA-N 308.381 3.321 0 40 DGAB O=C(OCc1noc(-c2ccc(Cl)cc2)n1)c1ccco1 29297111 ATEICABTKVXGSX-UHFFFAOYSA-N 304.689 3.340 0 40 DGAB COc1ccccc1C(=O)N(C)Cc1ccc(Br)o1 41396036 BBYGJNFBWWVVEO-UHFFFAOYSA-N 324.174 3.323 0 40 DGAB CC(C)c1ccc2c(c1)sc(=NC(=O)c1ccno1)n2C 244975236 IHLZPNNXIUQXAV-UHFFFAOYSA-N 301.371 3.092 0 40 DGAB O=c1oc2ccccc2cc1S(=O)(=O)c1cccc(Cl)c1 4484152 HHEKMDBGLYPQDX-UHFFFAOYSA-N 320.753 3.279 0 40 DGAB Fc1cc(F)cc(Cc2nnc3sc(-c4ccco4)nn23)c1 20735238 WMUXOCVUEFUHNO-UHFFFAOYSA-N 318.308 3.315 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@@H](c2ccc3c(c2)CCO3)C1 585148793 GZSYYPAKRLAOJH-MQDFFIGUSA-N 309.365 3.244 0 40 DGAB N[C@H](Cc1ccc(O)cc1)C(=O)Nc1ccc2ccccc2c1 39238 BZBYYTSHGRKCJJ-GOSISDBHSA-N 306.365 3.054 0 40 DGAB C[C@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)o2)C(=O)O1 8271414 UVBKASCFKGGADD-UFBFGSQYSA-N 315.354 3.014 0 40 DGAB C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1cccnc1 69201080 SWYYPIHQLCHYIF-AWEZNQCLSA-N 321.384 3.209 0 40 DGAB CCOC(=O)[C@@H]1Nc2ccc(O)cc2[C@H]2c3ccccc3C[C@H]12 1628636 VKIFYMRBLHCVQC-CGTJXYLNSA-N 309.365 3.054 0 40 DGAB O=C(O)C[C@@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 3121466 WHDVSHRTSIEYRK-OAHLLOKOSA-N 317.772 3.215 0 40 DGAB COc1c(OCc2ccccc2)cc(O)c(C(C)=O)c1OC 40844988 DHPZTYWSWZIJME-UHFFFAOYSA-N 302.326 3.191 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)on1 9156160 VDCXLXJNGMGFMB-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB CC[C@H](CCNC(=O)c1ccccc1)NC(=O)c1ccccc1 6224772 POUKLLIOWOTTGJ-QGZVFWFLSA-N 310.397 3.015 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)c1 6314263 DCCFKPUBTMZTPC-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB Cc1ccc(-c2nnn(CC(=O)c3c[nH]c4ccccc34)n2)cc1 415057 MFMNXUUBDKBZFQ-UHFFFAOYSA-N 317.352 3.013 0 40 DGAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCOC(C)C 20106850 IPVGAQGVXYRLQV-AWEZNQCLSA-N 313.825 3.429 0 40 DGAB C[C@@H](CC(=O)NCCc1nc2ccccc2[nH]1)c1ccccc1 22313494 LJKXSSMVLQTOTB-AWEZNQCLSA-N 307.397 3.415 0 40 DGAB N#Cc1ccccc1OCCOC(=O)c1cccc2ncccc12 61117502 VSBFVBKBMLPQHQ-UHFFFAOYSA-N 318.332 3.342 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 42473881 RLQJKKCUIFLPOG-LLVKDONJSA-N 324.783 3.066 0 40 DGAB Cc1ccc([C@H](C)N(C)CN2C(=O)CC3(CCCC3)C2=O)s1 54550137 MKJPCUOHWZQLRF-ZDUSSCGKSA-N 320.458 3.326 0 40 DGAB CCOCCCNc1nnc(-c2ccc(OCC)cc2)s1 28243779 RPPLSVIIBRNVLI-UHFFFAOYSA-N 307.419 3.442 0 40 DGAB O=C([C@@H]1C[C@H]1C1CCCCC1)N1CCC[C@H](c2ccn[nH]2)C1 106916455 COCHEVARDYXQAW-HRCADAONSA-N 301.434 3.332 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C 113943039 RBUIEXUFRSCCFH-GOSISDBHSA-N 313.397 3.477 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@H]1C 12657033 CLOCWBJYHSVCQD-CYZMBNFOSA-N 309.431 3.154 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)CC[C@@H]1CCCO1 58245129 CLLIGVQNDVOFKK-IRXDYDNUSA-N 317.429 3.188 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COc2ccc(F)cc2F)c1C 27789119 RFWZYRLDCLDFEX-UHFFFAOYSA-N 307.296 3.374 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cccc3cccnc23)n1 44953230 IVFKDVNBHXUULJ-CYBMUJFWSA-N 322.412 3.114 0 40 DGAB O=C(O)C[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl 58308183 QOMCGUDNJXXAIO-SMDDNHRTSA-N 307.777 3.328 0 40 DGAB Cc1nc(S/C(=C\c2ccc(C(C)C)cc2)C(=O)O)n[nH]1 409189101 IOBPRAVZPUBHPW-JYRVWZFOSA-N 303.387 3.454 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2cc3ccccc3o2)n1 12990751 IGSICFPRSOKDMM-LLVKDONJSA-N 323.352 3.277 0 40 DGAB Cc1cccc(NC(=O)CCCNC(=O)c2ccco2)c1C 12907092 DMAVOMBNTUWZBV-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)N1CCCCCC1 12977281 SGSHWGZPNXSXKO-FMIVXFBMSA-N 312.413 3.229 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cc[nH]n2)N1c1ccc(F)cc1 69620591 CWTZXEBQDHDRJA-MRXNPFEDSA-N 308.316 3.320 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 69652017 XMENCDVTYVOPNR-ZDUSSCGKSA-N 322.836 3.109 0 40 DGAB Cc1cc2c(cc1F)[C@](O)(c1ccc(C(C)C)cc1O)C(=O)N2 4110370 JEFNTPJFIXIJRV-GOSISDBHSA-N 315.344 3.151 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1F 14106493 MCSJQPYAXLJMAW-NSHDSACASA-N 314.316 3.242 0 40 DGAB CCN(CC)C(=O)C1(NC(=O)c2sccc2C)CCCCC1 65804716 HOVPJMCHJOYUKZ-UHFFFAOYSA-N 322.474 3.358 0 40 DGAB CC(C)(C)c1ccc(C(=O)CCC(=O)NC2=NCCS2)cc1 8704950 DIYXNEHFWRVPQQ-UHFFFAOYSA-N 318.442 3.166 0 40 DGAB CC1=CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@H](C(=O)O)C1 4713586 VOKRAUZDTBXLAD-GHMZBOCLSA-N 316.382 3.292 0 40 DGAB Cn1cc(/C=C/C(=O)N2CCC[C@@H](c3ccccc3)CC2)cn1 66764954 DTTPWOZAJSNBLP-QZEKMECESA-N 309.413 3.230 0 40 DGAB CCOc1ccccc1N1C[C@H](c2nc3ccccc3[nH]2)CC1=O 4906621 ZOWZYFVCGGIUHU-CYBMUJFWSA-N 321.380 3.482 0 40 DGAB CC(C)c1ccc(-c2nnn(C[C@H](O)c3ccccc3)n2)cc1 8924763 WNKNCGOHUBSDPS-KRWDZBQOSA-N 308.385 3.197 0 40 DGAB Cc1csc(C2(NCCn3c(C)csc3=O)CCCC2)n1 83222126 QZDYARFPRIBRKO-UHFFFAOYSA-N 323.487 3.042 0 40 DGAB O=C(Nc1nnc(COc2ccccc2F)s1)c1ccco1 9168588 OHHUTWLJXHGGJS-UHFFFAOYSA-N 319.317 3.102 0 40 DGAB CNC(=O)CC1CCN(Cc2cc3cc(C)c(C)cc3o2)CC1 93588288 GBASRJHILBNHGZ-UHFFFAOYSA-N 314.429 3.398 0 40 DGAB C=Cc1ccc(CSc2nc3ccc(C)cc3c(=O)n2N)cc1 71768865 HJZFKOANSHIIOC-UHFFFAOYSA-N 323.421 3.354 0 40 DGAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@H]1C1CCCC1 71821431 GSKXMJUHPYPNTM-KRWDZBQOSA-N 310.397 3.323 0 40 DGAB FC(F)(F)c1ccnc(NCc2csc(C3CC3)n2)n1 71902787 KUGZKURXRMOAHZ-UHFFFAOYSA-N 300.309 3.441 0 40 DGAB CC(C)[C@@H]1CCCCN1C(=O)Nc1cnn(-c2ccccn2)c1 97103654 DNNRHTVHBYHMDH-HNNXBMFYSA-N 313.405 3.310 0 40 DGAB CN(C(=O)c1cnn(C)c1N)c1ccc(Oc2ccccc2)cc1 97376114 ZHZJBLMUJWYUFC-UHFFFAOYSA-N 322.368 3.071 0 40 DGAB O=C([C@H]1CCc2ccccc21)N1CCC[C@H]1c1noc(C2CC2)n1 84581848 YIGHMUYQLGJMAF-HOTGVXAUSA-N 323.396 3.341 0 40 DGAB Cc1cnc(CN2CCC(c3n[nH]c(-c4ccccc4)n3)CC2)o1 95405119 TXWLZLZWLYEHIX-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB COc1ccsc1C(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95448310 YXPGXELDNWFBQA-NSHDSACASA-N 305.403 3.074 0 40 DGAB O=C(NC1CCCCCC1)N[C@@H]1CCO[C@]2(CCSC2)C1 95426850 VVSVMOWNXVDSFO-GDBMZVCRSA-N 312.479 3.063 0 40 DGAB O=c1cc(CN2C[C@@H]3CCCC[C@]32c2ccccc2)occ1O 95426351 FBOWZYBKCSQSRU-KXBFYZLASA-N 311.381 3.247 0 40 DGAB C[C@@H](NC(=O)N[C@H](c1ccco1)C(C)(C)C)C1CCOCC1 95417174 BPWVGAXZHMEONX-IUODEOHRSA-N 308.422 3.481 0 40 DGAB Cc1nc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 78890667 XUAUTDVXUZYJFU-GFCCVEGCSA-N 304.419 3.092 0 40 DGAB OC1CCN(c2ccccc2NCCc2cccs2)CC1 95994887 HIAWDRZYZXPGMT-UHFFFAOYSA-N 302.443 3.364 0 40 DGAB Cc1cccc(N2CCN(Cc3nnsc3Cl)CC2)c1C 35163483 WEWGCOSWGACLGD-UHFFFAOYSA-N 322.865 3.131 0 40 DGAB COc1ccc(NC(=S)Nc2cccc3cnncc23)cc1 408975450 KLJSERYBFDXZFL-UHFFFAOYSA-N 310.382 3.447 0 40 DGAB Cc1cc(C)c2c(=O)c(I)c(C)[nH]c2c1 72207203 KBZDLEIQRJCXDN-UHFFFAOYSA-N 313.138 3.058 0 40 DGAB CN(C)[C@@H](CCC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 521394351 GRTPCGRBEIURRX-IRXDYDNUSA-N 318.461 3.143 0 40 DGAB CCc1nc([C@@H](C)NC(=O)N[C@H](C)Cc2ccco2)cs1 78924863 GNSVKKRIYLHVNR-GHMZBOCLSA-N 307.419 3.290 0 40 DGAB Cc1nc[nH]c1CN(CCCn1ccnc1)C[C@H]1CC=CCC1 36740226 BRIUKQFBOKAZQA-KRWDZBQOSA-N 313.449 3.163 0 40 DGAB CNC(=O)c1ccc(CN2C[C@@H](C)OC[C@H]2c2ccccc2)cc1 76148518 RJGHMLRYURBUBX-BEFAXECRSA-N 324.424 3.008 0 40 DGAB O=C(NCc1cccc2ccccc12)[C@@H]1COc2ccccc2O1 74376624 BHUPXKBSBKGIRW-IBGZPJMESA-N 319.360 3.296 0 40 DGAB CCNC(=O)[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 79452423 KOTXXBRGRMSNKF-TZMCWYRMSA-N 306.406 3.025 0 40 DGAB CC(C)c1ccc(CCC(=O)N2CCN3CCC[C@H]3C2)cc1 36614029 VQTMZYPGFBMIJF-SFHVURJKSA-N 300.446 3.049 0 40 DGAB Cn1cccc1CN(C(=O)CSCc1ccccc1)C1CC1 62018280 ONYXAEJVIKDFGR-UHFFFAOYSA-N 314.454 3.450 0 40 DGAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(F)cc1F 43211040 HDBHXFWGBAXLEB-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB Cc1cc([C@@](C)(O)CNC(=O)c2cc3ccccc3[nH]2)c(C)o1 80899154 RTXBRHHQADMIAB-SFHVURJKSA-N 312.369 3.015 0 40 DGAB Cn1c(Cl)nc2ccc(C(=O)NCCc3ccccc3)cc21 222542787 XSRXFJHBMKJWJG-UHFFFAOYSA-N 313.788 3.199 0 40 DGAB CCc1ccccc1C[C@H](Oc1ccc(OC)cc1)C(=O)O 225040705 ARPNQRZTWZZQGY-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB CCCCNC(=O)C1CCN(CCCc2ccccc2)CC1 42133855 LEFXRSALKGRLNB-UHFFFAOYSA-N 302.462 3.248 0 40 DGAB c1ccc([C@@H]2N(c3nccn4nnnc34)CC23CCCCC3)cc1 575662485 ZMUFHKMMEDXTSR-HNNXBMFYSA-N 320.400 3.031 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCC2)cc1[C@H](C)CC 95946071 QEBAUFULHHOTFZ-CYBMUJFWSA-N 311.447 3.383 0 40 DGAB Cn1ncc(C(=O)N(CC(C)(C)C)c2cccnc2)c1C(F)F 96418347 OOGCQLYPALPZPY-UHFFFAOYSA-N 322.359 3.446 0 40 DGAB C[C@@H](CN[C@H](C)c1cccc(Cl)c1Cl)CS(C)(=O)=O 96491895 LSIARAVUBVWMJE-VHSXEESVSA-N 324.273 3.325 0 40 DGAB CCCCc1nc(CNc2cc(NC(C)=O)c(F)cc2F)no1 96427467 CEJOEGIPGAIFDD-UHFFFAOYSA-N 324.331 3.261 0 40 DGAB CC[C@@H](C)OCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 97229538 PFZHQNFKTXDESN-NXEZZACHSA-N 309.797 3.209 0 40 DGAB CCN(CC)c1ccc2ccc(C(=O)NCc3cccnc3)cn12 96264128 UCLBIKIJKXPVPR-UHFFFAOYSA-N 322.412 3.111 0 40 DGAB C[C@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H](c2ccsc2)O1 253392453 ZRWYSOZUCMSKQB-GXTWGEPZSA-N 320.462 3.057 0 40 DGAB C[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@H](c2ccsc2)O1 253392464 ZRWYSOZUCMSKQB-TZMCWYRMSA-N 320.462 3.057 0 40 DGAB O=C1NC(=O)[C@H]2[C@@H]1[C@H](c1ccccc1)C=C[C@H]2c1ccccc1 252444412 URKRCAKITCRYFK-XLAORIBOSA-N 303.361 3.013 0 40 DGAB Cc1cc(C(=O)N2CCc3ccncc32)c2c(C(C)C)noc2n1 273500375 QLGPBGIMEULHKC-UHFFFAOYSA-N 322.368 3.253 0 40 DGAB Cc1cc(C(=O)Nc2ccn(Cc3ccccn3)n2)c(C)s1 58326751 HOWZRFJSRUBAPM-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 55285384 XPAVKIFVCKKVKB-SWLSCSKDSA-N 322.474 3.333 0 40 DGAB O=C(Nc1nncs1)N1CCCC[C@H]1Cc1ccccc1 58163261 QZHYFMUSQWRHJW-ZDUSSCGKSA-N 302.403 3.167 0 40 DGAB CCCCN(C)C(=O)NCC1CCN(Cc2ccccc2)CC1 67772991 NEAQOTXXCWXAFK-UHFFFAOYSA-N 317.477 3.340 0 40 DGAB Cc1ccc(C)c(N2CCN(c3cc(C4CC4)ncn3)CC2)c1 1559146294 YXUMCGQQQQQSEZ-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB O=S(=O)(NCc1cc2ccccc2o1)c1cccc(F)c1 79269735 HXTJLDPSNNULJC-UHFFFAOYSA-N 305.330 3.050 0 40 DGAB O=C(c1ccc(Cl)cc1Cl)N1CC(Oc2ccncc2)C1 589989078 VVRBTBKABPGCKC-UHFFFAOYSA-N 323.179 3.292 0 40 DGAB Brc1cnn(CC2CN(CC3CCCCC3)C2)c1 1889090972 IPXCYVIBLOACGD-UHFFFAOYSA-N 312.255 3.158 0 40 DGAB c1ccc2c(N3CCC[C@H](COc4ccncc4)C3)ncnc2c1 1775973270 LMARPRQNDGAXPE-HNNXBMFYSA-N 320.396 3.320 0 40 DGAB c1ccc(CN2CCC[C@@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 12115735 NESMGWJEJUYHGW-QGZVFWFLSA-N 319.412 3.246 0 40 DGAB CCOc1ccc(C2=N/C(=C\c3ccc(C#N)cc3)C(=O)O2)cc1 15263649 RBQRTAJDPXQWBD-BOPFTXTBSA-N 318.332 3.301 0 40 DGAB c1ccc(C[C@H]2COC(C3=N[C@H](Cc4ccccc4)CO3)=N2)cc1 18270557 OIEQQWQZUYZCRJ-HDICACEKSA-N 320.392 3.066 0 40 DGAB O[C@H](CN1CCC(Oc2cccc(F)c2)CC1)c1cccs1 19294226 XQDRUIJWPFCBBG-MRXNPFEDSA-N 321.417 3.464 0 40 DGAB CCc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1 5686787 RQYPIVAYTNFEOK-UHFFFAOYSA-N 324.332 3.323 0 40 DGAB O=C(c1ccnc(Oc2ccccc2)c1)N1CCOC[C@H]1C1CC1 535577869 YSWQIKKLBGTUCW-KRWDZBQOSA-N 324.380 3.125 0 40 DGAB Cc1nc(CNC(=O)C[C@@H](C)Cc2cccc(F)c2)[nH]c1C 585126110 ORKMEJITFMYOCT-NSHDSACASA-N 303.381 3.051 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)/C=C/c1ccco1 5113218 YGDIARNWMQHQLE-CMDGGOBGSA-N 317.366 3.197 0 40 DGAB Cc1ccnc(N2CCN(c3cccc(Cl)c3Cl)CC2)n1 1888876516 WGTBJSUNAUWYFN-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(Cl)cn2C)cc1F 23735017 OOVDXRDBBJGJJZ-UHFFFAOYSA-N 310.756 3.098 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cnc3onc(C)c3c2)c(C)c1 25774770 SBNFQGKHLWKMRF-UHFFFAOYSA-N 309.369 3.420 0 40 DGAB CC1=C(C(=O)Nc2ccccc2C)[C@@H](c2ccccc2)NC(=O)N1 70726 YAWCLLSUJNYNCX-QGZVFWFLSA-N 321.380 3.262 0 40 DGAB CCC(CC)CN1C[C@@H](OCc2csc(C)n2)[C@H]2COC[C@H]21 2055718409 WXKTYRMKRPMAAX-GVDBMIGSSA-N 324.490 3.104 0 40 DGAB Cc1ccccc1CN1c2ccccc2N(C2CC2)S1(=O)=O 585147801 YRRCMXFLWXZURJ-UHFFFAOYSA-N 314.410 3.229 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc2ccccc2c(=O)[nH]1 69830039 XUNYUBZFAFGVHW-GFCCVEGCSA-N 304.349 3.120 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)NCC(C)(C)N(C)C)sc2n1 40024500 JIOBKUZVJMQFQZ-UHFFFAOYSA-N 319.474 3.292 0 40 DGAB O=C(CCCn1nnc(-c2ccccc2)n1)c1ccc(F)cc1 31625532 USSJUMPSMUOVRO-UHFFFAOYSA-N 310.332 3.142 0 40 DGAB CCCn1c(O)nnc1SCc1cc(F)cc2cccnc12 31613414 ZMPSEWIBVKRIHW-UHFFFAOYSA-N 318.377 3.373 0 40 DGAB O=C(/C=C/C(=O)OCCc1ccccc1)OCCc1ccccc1 20522258 IRPXHZWJKDZEHW-VAWYXSNFSA-N 324.376 3.114 0 40 DGAB CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccn2)[C@@]1(C)O 49469 LKGKYSMQYXQABD-IRXDYDNUSA-N 304.390 3.247 0 40 DGAB COCc1cccc(CNC(=O)N2CCc3ccccc3C2)c1 46158522 NBFCUPYCOAISLL-UHFFFAOYSA-N 310.397 3.101 0 40 DGAB c1ccc2cc(CCN3CCC(n4cncn4)CC3)ccc2c1 70020141 CDUYIKLQDMCXDH-UHFFFAOYSA-N 306.413 3.311 0 40 DGAB CC[C@@H](C)NC(=O)N(Cc1cccc(O)c1)C1CCC(O)CC1 70017943 FJAKRHIKDHARDW-IUDNXUCKSA-N 320.433 3.006 0 40 DGAB Cc1cc([C@@H](C)NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)s1 46239497 YRXBGBSTYIAHCZ-TZMCWYRMSA-N 322.474 3.047 0 40 DGAB Cc1c(C(=O)OCC(=O)NC2CCCCC2)oc2ccccc12 3537322 IKYNXEJPUUBDIA-UHFFFAOYSA-N 315.369 3.347 0 40 DGAB COC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 6145831 JXLWJCVCHNLVIM-RYRKJORJSA-N 319.401 3.130 0 40 DGAB biogenic COc1ccccc1[C@H](C)NC(=O)c1ccc(C(C)=O)s1 21598498 XDQWKKJVAHDNLZ-JTQLQIEISA-N 303.383 3.450 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(Cc1ccco1)C1CC1 52470780 UWQDIBVFGRKPBV-UHFFFAOYSA-N 322.364 3.443 0 40 DGAB Cc1cc(NC(=O)NCCCO[C@@H](C)c2ccccc2)no1 32841345 XLTLOYREPYPVAF-ZDUSSCGKSA-N 303.362 3.272 0 40 DGAB CCOc1ccc(S(=O)(=O)NC(C)(C)C)c2ccccc12 57003008 AHAJICULRBUQLH-UHFFFAOYSA-N 307.415 3.315 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)Cn1cccn1 46464396 RJDNACCQZXSIAV-TZMCWYRMSA-N 318.446 3.052 0 40 DGAB Cc1cc(C)cc(OC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 100280338 RVBTZBDMGBJGEF-QZTJIDSGSA-N 302.370 3.331 0 40 DGAB CCOc1ccc(OC)cc1NC(=O)c1c[nH]c2ncccc12 69779691 KARWGZNTCKWQOJ-UHFFFAOYSA-N 311.341 3.223 0 40 DGAB CCCc1nccn1CC(=O)Nc1ccc(Br)cc1 70424445 WPZZLGRMMRXTRR-UHFFFAOYSA-N 322.206 3.237 0 40 DGAB C[C@H](NC(=O)CCc1cccnc1)c1cccc(OC(F)F)c1 32930443 VGEISDWBANAWDF-LBPRGKRZSA-N 320.339 3.493 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccc(O)cc1 52963637 POHXEECTFMMJTP-UHFFFAOYSA-N 322.364 3.023 0 40 DGAB COc1ccc(CCC2CCN(Cc3nnc(C)o3)CC2)cc1 53847429 COHUNVTZTYNAMP-UHFFFAOYSA-N 315.417 3.231 0 40 DGAB COc1ccc(-c2noc(-c3[nH]nc4c3C[C@@H](C)CC4)n2)cc1 12322171 FBYYUQFUAXVQFR-JTQLQIEISA-N 310.357 3.260 0 40 DGAB CN(C)c1ccc(C(=O)Nc2ccc(Cn3ccnc3)cc2)cc1 12414040 KBAYWUSIMMWZDD-UHFFFAOYSA-N 320.396 3.250 0 40 DGAB COc1c(Br)cc(-c2ccccc2)cc1C(N)=O 57339961 BKFUOTBARMGEPF-UHFFFAOYSA-N 306.159 3.224 0 40 DGAB COc1ccc(-c2c/c(=N\CC(=O)O)c3ccccc3o2)cc1 12472278 ZZMFXBDIIUKDJM-XDJHFCHBSA-N 309.321 3.094 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2cn(C)c3ccccc23)c1 27502899 VFQWIMFFPIPQNL-UHFFFAOYSA-N 324.380 3.126 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(C[C@H]1CCOC1)C1CC1 106633852 SCWBWGQUAHEIPQ-OAUYIBNBSA-N 319.832 3.471 0 40 DGAB CCN(C(=O)c1cccnc1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106630784 KYFVMMLIPLEDTF-VQIMIIECSA-N 323.440 3.379 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55946284 SKNJCQKYLSDHBD-JZXOWHBKSA-N 321.392 3.121 0 40 DGAB CCOC(=O)Nc1ccc(N[C@@H](C)C(=O)NC(C)(C)CC)cc1 56158375 UYCRMJIMWYMNKP-LBPRGKRZSA-N 321.421 3.360 0 40 DGAB COc1cc(CC(=O)Nc2nc3c(s2)CCC3)ccc1C 10508856 RQMHHALOMAJSSF-UHFFFAOYSA-N 302.399 3.130 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cccs1 8392569 WSVIKTUTHPODPT-LLVKDONJSA-N 311.453 3.264 0 40 DGAB C[C@@H](C(=O)NC(C)(C)C)N(C)Cc1nc2ccccc2s1 12806323 BPENYVOZUJMSPI-NSHDSACASA-N 305.447 3.031 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccccc1Cl 12820783 YQMSQUXVNDCQRA-AWEZNQCLSA-N 320.776 3.016 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)N(C)Cc2cccs2)c1 3413732 MDGUSOZFEICYJT-RMKNXTFCSA-N 317.410 3.437 0 40 DGAB O=C(NCc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 12982885 LFCNDLLPKSCKRU-UHFFFAOYSA-N 318.760 3.433 0 40 DGAB CC(C)NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Br 8574275 FLKPBLMLLIQJNK-MRVPVSSYSA-N 320.614 3.394 0 40 DGAB CCOCc1nnc(NC(=O)CCSc2ccccc2)s1 4384615 VUVRBLCWRVBZMB-UHFFFAOYSA-N 323.443 3.196 0 40 DGAB Cc1nnc(CNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)o1 65514604 CUAGZXYXLRPUKB-UHFFFAOYSA-N 313.401 3.024 0 40 DGAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ccc(F)c(Cl)c1 65549920 IPEXURRRVAQPOO-MEBBXXQBSA-N 306.768 3.356 0 40 DGAB COc1cc(/C=C/C(=O)Nc2ccccc2OC)cc(OC)c1 14198579 XJQBATQZWAGTPB-CMDGGOBGSA-N 313.353 3.364 0 40 DGAB CC(=O)NCc1ccccc1-c1ccc(Cn2cccn2)cc1 65604592 CFDPEKHEOOHDJN-UHFFFAOYSA-N 305.381 3.235 0 40 DGAB O=C(CCNC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 5443348 JFRJSRXLGHIMCZ-UHFFFAOYSA-N 322.836 3.299 0 40 DGAB Cc1cc(C(F)(F)F)nn1Cc1n[nH]c(=S)n1CC(C)C 6556608 NRAMVPKRHQRASC-UHFFFAOYSA-N 319.356 3.169 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccc2c(c1)CCCC2 7308289 IZMYHYGVXQUGHN-UHFFFAOYSA-N 301.411 3.044 0 40 DGAB CCCCS(=O)(=O)N1CCc2cc3cccc(C)c3nc21 15842049 UFVWJFOCLQIIEQ-UHFFFAOYSA-N 304.415 3.036 0 40 DGAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)nc2C)c1 7608169 BXHHMBDAYDHTRY-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB C[C@@H](c1ccccn1)N(C)C(=O)c1ccc(Cn2ccnc2)cc1 68268930 SYVUSKKBDYHUBL-HNNXBMFYSA-N 320.396 3.160 0 40 DGAB Clc1cnccc1NCC1(N2CCCCC2)CCOCC1 81001032 AGTMREKQFLPNOF-UHFFFAOYSA-N 309.841 3.182 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H](C)N1CCCCC1 8119001 BXXDYTPGTSBLBJ-GFCCVEGCSA-N 310.825 3.470 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc3ccccc3c2)no1 9315273 CHIFIXHDVYEOGV-GFCCVEGCSA-N 324.336 3.320 0 40 DGAB CCSC1(CNc2nccc(C(F)(F)F)n2)CCOCC1 96421003 MSWBUJKVVDYFQQ-UHFFFAOYSA-N 321.368 3.210 0 40 DGAB O=S(=O)(Cc1c(Cl)cccc1Cl)C[C@@H]1CCCO1 71863009 ZAGGFLKURKMPDA-VIFPVBQESA-N 309.214 3.087 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)c1 97085184 LNZUSGWXSJWIHA-OAHLLOKOSA-N 312.369 3.386 0 40 DGAB O=C(O)c1ccc(CCC(=O)N2CCC[C@H]2c2ccco2)cc1 97036739 QJRKHNDGXABWSW-HNNXBMFYSA-N 313.353 3.274 0 40 DGAB CN(C(=O)c1cnc(OCC2CC2)c(Cl)c1)c1nccs1 97085474 JOSXSPNKWZTHSX-UHFFFAOYSA-N 323.805 3.257 0 40 DGAB CC[C@@H](NC(=O)NCC[C@@H]1CCCCO1)c1c(C)noc1C 97055265 IIUCSIBSHPBTLQ-UONOGXRCSA-N 309.410 3.001 0 40 DGAB CCN(C(=O)N1CCC(Nc2cccc(OC)c2)CC1)C(C)C 97141745 NHHICMQKWPOCHT-UHFFFAOYSA-N 319.449 3.422 0 40 DGAB C[C@@H]1CN(C(=O)CCc2cccnc2)[C@H](c2ccccc2)CO1 84705567 AHTZXCGHKPAJDH-QAPCUYQASA-N 310.397 3.003 0 40 DGAB COC(=O)N1CCC[C@@H](N[C@@H](C)c2cnc3ccsc3c2)C1 95421613 BHRPXRDIWBMLQJ-WCQYABFASA-N 319.430 3.178 0 40 DGAB COCCN(CC(F)(F)F)C(=O)c1cc2cccc(F)c2o1 78877080 FCBUIHDJQVLXTM-UHFFFAOYSA-N 319.254 3.223 0 40 DGAB CCO[C@@H]1C[C@H](OC(=O)c2ccc(OC)nc2)C12CCCCC2 78948846 SFACRGTUAQYSCE-CABCVRRESA-N 319.401 3.375 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 78935677 YFIFLJAHKUAVNY-RTBURBONSA-N 324.424 3.047 0 40 DGAB Cc1ccc2cc(C(=O)N3CCCC[C@H]3c3nc[nH]n3)ccc2n1 95989307 JBKOLXGRDRVGEV-INIZCTEOSA-N 321.384 3.029 0 40 DGAB Cc1nccc(-c2cccc(NCc3nnc(C4CC4)o3)c2)n1 86199332 AMMQSDOMQBTPJQ-UHFFFAOYSA-N 307.357 3.325 0 40 DGAB NC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2ccccc2)cc1 9959202 KPWYEWIFVKNBJO-INIZCTEOSA-N 309.369 3.155 0 40 DGAB Cc1noc(C)c1CNC(=O)N(C1CC1)[C@@H](C)c1ccco1 86371686 VBSOTFSYNZZXNN-NSHDSACASA-N 303.362 3.320 0 40 DGAB c1cncc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)c1 89794032 PVADDIJHKIOENN-UHFFFAOYSA-N 310.397 3.412 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC[C@H]1CCCN2CCCC[C@@H]12 504400707 GZRWUMIGVOLZJV-WBVHZDCISA-N 320.864 3.263 0 40 DGAB biogenic O=C(NC[C@H]1CSc2ccccc21)c1noc2c1CCCC2 518315056 OVEYTBUGZAJIQR-NSHDSACASA-N 314.410 3.173 0 40 DGAB Cc1cn[nH]c1[C@]1(C)CCCN(C(=O)c2ccc(F)cc2)C1 72388831 KBSGFPBRKQMDCK-QGZVFWFLSA-N 301.365 3.051 0 40 DGAB C[C@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@H](C)O1 37424739 XKHZFFVTORRINN-BHDSKKPTSA-N 303.233 3.102 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 74120323 SOAXGBJOVPNHGL-CVEARBPZSA-N 306.475 3.104 0 40 DGAB CCOc1cc(I)ccc1CNC(C)C 36612304 REHVYAQAEHDXQC-UHFFFAOYSA-N 319.186 3.188 0 40 DGAB NC(=O)c1cccc(NC(=S)Nc2cccc(Cl)c2F)c1 71326185 ZQBGGGHGBUOTKO-UHFFFAOYSA-N 323.780 3.387 0 40 DGAB COC(=O)c1ccc(C(=O)N(Cc2ccsc2)C2CC2)cc1 44446561 LLKOXFSGRBPPCF-UHFFFAOYSA-N 315.394 3.340 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)N[C@H](C)CC 225666328 XZDHLKDTZJXGMY-CJNGLKHVSA-N 322.424 3.258 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3CCC3)n2)C1 45754787 WOEWNKYMRKNPCF-TXEJJXNPSA-N 307.463 3.360 0 40 DGAB COc1ccc(NC(=O)C2(C)COC3(CCCCC3)OC2)cc1 225915581 PSMAYZUDEGEKRN-UHFFFAOYSA-N 319.401 3.347 0 40 DGAB COCCNC(=O)c1ccc(Nc2ccc(Cl)cc2)c(N)c1 225424006 QMYFQXYRQMPWIT-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB CCN1CCCC[C@@H]1C(=O)Nc1ccc(Br)cc1 48290550 SOMLGRCFDFKAJK-CYBMUJFWSA-N 311.223 3.262 0 40 DGAB CCc1ccc([C@H](C)NCC(=O)N(C)Cc2ccco2)cc1 49604853 FRWMBCHIHYBKSD-AWEZNQCLSA-N 300.402 3.151 0 40 DGAB CCc1nc2c(s1)[C@H](N(C)C(=O)Nc1cnns1)CCC2 192337837 DVJIIHPPZMJJBM-SECBINFHSA-N 323.447 3.098 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)c1 195564783 NYESLHFLQXTGSB-FHLIZLRMSA-N 316.445 3.355 0 40 DGAB CCOc1ccccc1[C@@H](C)NC(=O)[C@H](O)C1CCCCC1 331245238 RJASYMZOWRIHRU-CXAGYDPISA-N 305.418 3.204 0 40 DGAB Cc1oc(CN(C)C(=O)c2ccc(Cl)s2)cc1C(=O)O 96480434 WLEWXUBBTNAVSM-UHFFFAOYSA-N 313.762 3.273 0 40 DGAB O=C1c2cc3ccccc3nc2CN1c1ccc2c(c1)OCO2 96319272 UEODMLUQKMVJDP-UHFFFAOYSA-N 304.305 3.124 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3C[C@@H]4CCC[C@H]4C3)c12 96462204 XKJVSSAZZWHSIQ-KBPBESRZSA-N 324.428 3.026 0 40 DGAB c1coc(CN2CCC3(CC2)CO[C@H](COCC2CC2)C3)c1 96105961 ZTUFAJAXGJYCTM-KRWDZBQOSA-N 305.418 3.077 0 40 DGAB CCOC(=O)CCc1ccc(NC(=O)c2cnc(C)s2)cc1 96416512 DQEDKFVJMKEUGP-UHFFFAOYSA-N 318.398 3.200 0 40 DGAB COc1ccccc1N[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 95915164 COEUXCOUZQNBAK-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB O=C(O)c1c(Br)c(Cl)nc2c(F)cccc12 95096647 RVNOPIWKTJANSP-UHFFFAOYSA-N 304.502 3.488 0 40 DGAB CCCCOCC(=O)N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 95398496 FRMTVYNAGDMOND-JTQLQIEISA-N 309.797 3.210 0 40 DGAB COc1cccc(CN2CCC[C@H]2c2nc(C)cn2C)c1F 257234760 GUYMNGUJRZNJOG-AWEZNQCLSA-N 303.381 3.213 0 40 DGAB O=C(Cc1cccc(F)c1)N1CCC(Cc2ccncc2)CC1 257278387 OCBDCRXMNNQANQ-UHFFFAOYSA-N 312.388 3.245 0 40 DGAB C[C@H](NC(=O)CCCc1nccs1)[C@H]1COc2ccccc21 252495017 OKYJTTLZVIZLQN-GXTWGEPZSA-N 316.426 3.147 0 40 DGAB Cc1c(NC(=O)c2ccc(C(=O)O)cc2)cnn1C1CCCC1 263454299 UESIFAQBBWVFOY-UHFFFAOYSA-N 313.357 3.257 0 40 DGAB COc1ccccc1CN(C)c1ncccc1Br 42442495 HJNYFEYIFYYLAE-UHFFFAOYSA-N 307.191 3.489 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)NCc2ccoc2)cc1 54530576 VZGKGPXSVPFOEH-UHFFFAOYSA-N 317.345 3.194 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)on1 71820961 BBOLXEFCQFOFKQ-CQSZACIVSA-N 316.405 3.220 0 40 DGAB Cc1ncc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)s1 84290661 JKLOUMNIPQMYSJ-UHFFFAOYSA-N 322.333 3.271 0 40 DGAB C[C@H]1CCC[C@H](C)N1C[C@H](O)Cn1cc(C=O)c2ccccc21 5520942 OHTDILXTEPRBOP-YQQAZPJKSA-N 314.429 3.078 0 40 DGAB C[C@@H](O)[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 152939527 PVUVVQCAUNZKJA-RKDXNWHRSA-N 321.726 3.202 0 40 DGAB COc1ccc(/C=C/C(=O)NCc2ccc(F)cc2)c(OC)c1 6305888 GPBYGRUARYBCJP-UXBLZVDNSA-N 315.344 3.173 0 40 DGAB O=C(Nc1ncc(Cc2cccc(F)c2)s1)C1CCOCC1 31992954 OMSPCVBKKMEAQI-UHFFFAOYSA-N 320.389 3.238 0 40 DGAB COc1ccc(Cn2c(=O)oc3ccc(Cl)cc32)cc1OC 5031898 HNZOTFZOVFNQSF-UHFFFAOYSA-N 319.744 3.313 0 40 DGAB Cc1cc(Cl)cc(NC(=O)COC(=O)c2ccc(N)cc2)c1 13578795 AXWGHJCTFGIUFN-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB CC(C)c1ccccc1NC(=O)CN1C(=O)c2ccccc2C1=O 45213 HDRRDMORUCDDPD-UHFFFAOYSA-N 322.364 3.045 0 40 DGAB O=C(Nc1ccc2c(c1)CCO2)c1cccnc1N1CCCCC1 40132903 RSJDVHMNSUXLMQ-UHFFFAOYSA-N 323.396 3.259 0 40 DGAB CC(C)(C(=O)NCc1cc[nH]n1)c1ccc(Cl)c(Cl)c1 50578157 KQAYVHQAQZYZQM-UHFFFAOYSA-N 312.200 3.311 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cn1 31389404 LCPHIRSZEZYHMG-AWEZNQCLSA-N 324.409 3.372 0 40 DGAB CC(C)c1c(Br)c(C(=O)O)nn1-c1ccccc1 59326414 BUSPMTBWUZKTGV-UHFFFAOYSA-N 309.163 3.456 0 40 DGAB CCCn1nnnc1NC(=O)c1sc2ccccc2c1Cl 569444 QQQPMFQCPIVKQZ-UHFFFAOYSA-N 321.793 3.204 0 40 DGAB Cc1ccccc1C[S@@](=O)Cc1cccc2c1OCCO2 69775345 FZPMIOWFJXUBSW-NRFANRHFSA-N 302.395 3.215 0 40 DGAB COC(=O)[C@]1(Cc2ccc3c(c2)CCC3)Cc2ccccc2C1=O 1855465 SUTQCHYMFJGXOS-OAQYLSRUSA-N 320.388 3.316 0 40 DGAB Cc1nnc([C@H](NC[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)n1C 101542865 FYNPVLIMTMLPGO-DZJNRPSUSA-N 308.429 3.015 0 40 DGAB CC(C)CC(=O)Nc1cc(Br)ccc1-n1cncn1 51987416 ZCWQJDTUJJITLD-UHFFFAOYSA-N 323.194 3.014 0 40 DGAB Cn1cc(C(=O)Nc2ccccc2NC(=O)OC(C)(C)C)cn1 69738847 GOUSCHZHSYWCGZ-UHFFFAOYSA-N 316.361 3.019 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1cccs1 7553278 XFAYCURSJBVIJG-PDIRELQUSA-N 321.442 3.388 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccccc2Cl)o1 7610303 KVSWVSLGYIABFP-UHFFFAOYSA-N 311.794 3.406 0 40 DGAB COc1ccccc1CN(C(=O)Nc1nccs1)C1CC1 52460332 OWCJFVVWZSDUFF-UHFFFAOYSA-N 303.387 3.348 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1onc2c1C[C@@H](C)CC2 11915735 ZPOOOXSPYLMIPA-NSHDSACASA-N 314.385 3.434 0 40 DGAB C[C@@H](C(=O)NCc1ccccc1Cl)N1C[C@H](C)C[C@@H](C)C1 21670768 VLZHKZHVGVXWQY-MCIONIFRSA-N 308.853 3.323 0 40 DGAB CC1(C)COc2ccc(NC(=O)c3ccccc3)cc2NC1=O 8959910 CMEMHRBSDQUQHN-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)cc1 549327 IOUORVYECQCYHG-CQSZACIVSA-N 320.439 3.167 0 40 DGAB Cc1nc2ccc(Br)cc2c(=O)n1-c1ccccc1 547027 VPVJXWSPNRIXTI-UHFFFAOYSA-N 315.170 3.457 0 40 DGAB Cc1noc(C)c1CCC(=O)NCCc1cccc(Cl)c1 23228714 YKUMFTQAWKEJDQ-UHFFFAOYSA-N 306.793 3.236 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 54538800 CMBSKGOAHSGABX-CABCVRRESA-N 314.433 3.024 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)/N=c1/[nH]nc(-c2ccccc2)[nH]1 25155672 SIEKMMVTGNLKTQ-LBPRGKRZSA-N 324.409 3.013 0 40 DGAB Cn1cc(NC(=O)COc2ccc(Nc3ccccc3)cc2)cn1 25304904 DXNTYZBXCQYKQT-UHFFFAOYSA-N 322.368 3.181 0 40 DGAB O=C(Nc1nnc(C2CCCCC2)s1)NC1CCC(O)CC1 43602100 QIAJNJOUPNNISC-UHFFFAOYSA-N 324.450 3.011 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)c1cccs1 24189761 DFYALNRPBRROBW-UHFFFAOYSA-N 300.427 3.274 0 40 DGAB Cc1ccn(-c2ccnc(N3CC=C(c4ccccc4)CC3)n2)n1 57508354 LSHZOPXDTWWPBM-UHFFFAOYSA-N 317.396 3.264 0 40 DGAB CCCCN1CCCC[C@H]1CNC(=O)c1ccccc1OCC 58155694 ATCCKANBYDFCQL-INIZCTEOSA-N 318.461 3.470 0 40 DGAB Cc1cccc(-c2nnc(S[C@@H](C(=O)N(C)C)C(C)C)o2)c1 58209595 DERAAYNXYSPVKZ-CYBMUJFWSA-N 319.430 3.250 0 40 DGAB CSCC[C@H](NC(=O)[C@@H]1C[C@H]1C)c1nc2ccccc2[nH]1 16645686 RRERVISQDPCGNN-GYSYKLTISA-N 303.431 3.129 0 40 DGAB CC(C)(C)NC(=O)NC(=O)CSc1nc2ccccc2s1 3503857 KVFIYUZPYYYOFG-UHFFFAOYSA-N 323.443 3.013 0 40 DGAB O=c1c2ccccc2cnn1Cc1coc(-c2ccccc2)n1 12979208 VKDFNNRPAVSMBE-UHFFFAOYSA-N 303.321 3.100 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 70006972 QMOPTFHUUCLQRS-INIZCTEOSA-N 323.444 3.051 0 40 DGAB Cc1ccc([C@@]2(O)CN3C=CC=CC3=[N+]2Cc2ccccc2)cc1 16944317 VUDWNMXTYXWQKA-NRFANRHFSA-N 317.412 3.150 0 40 DGAB Cc1cccc(OCCN2C(=O)C(=O)c3cc(C)cc(C)c32)c1 5031955 SAYAQLPFEKUBSH-UHFFFAOYSA-N 309.365 3.220 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)Nc1ccc(N2CCCC2)nc1 65399542 OXXAEEUZYVOGEG-ZDUSSCGKSA-N 314.389 3.028 0 40 DGAB Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@@H]2c1ccccn1 65407416 AHQREUSDLMFMFB-OAHLLOKOSA-N 318.380 3.109 0 40 DGAB CCN(CC)CCNC(=O)c1sc(-c2ccsc2)nc1C 65412447 NZVXWZCCOPIDBN-UHFFFAOYSA-N 323.487 3.252 0 40 DGAB Cc1cc([C@@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)o1 65408611 DCCSBDUSJMUKQY-SECBINFHSA-N 319.336 3.017 0 40 DGAB CCCCNc1ncnc2c1c(C)c(C)n2CCCN(C)C 5346487 NUBAUFIBDPNZNB-UHFFFAOYSA-N 303.454 3.212 0 40 DGAB O=C(/C=C/c1ccco1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 6495504 AVEYMTJASMSHLE-VQHVLOKHSA-N 322.316 3.494 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cc(Br)c[nH]1 14199684 TUCUAHZYKFIJRG-SECBINFHSA-N 323.190 3.277 0 40 DGAB CN(C(=O)Cc1cc(Br)ccc1F)c1cccnc1 178275735 CRGFUAFYDLEODZ-UHFFFAOYSA-N 323.165 3.189 0 40 DGAB COc1ccccc1[C@H](CNC(=O)C1CCCC1)N1CCCC1 22679836 CKBKXHYTMZOXLP-KRWDZBQOSA-N 316.445 3.139 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2ccc(Cl)s2)cc1 8486590 NXWZYHVDIIMPFS-UHFFFAOYSA-N 309.774 3.118 0 40 DGAB O=C(O)c1ccc2ncc(C(=O)O)c(Nc3ccccc3)c2c1 5510772 KKFXVJKKIUBOKR-UHFFFAOYSA-N 308.293 3.375 0 40 DGAB CC1CCN(CCC2CCN(c3ccc(Cl)nn3)CC2)CC1 4738776 FPRASQFPNVGTIH-UHFFFAOYSA-N 322.884 3.468 0 40 DGAB Cn1ccnc1CN(C(=O)c1cccc(-c2ccco2)c1)C1CC1 67934377 HFDGETGHXOTVLT-UHFFFAOYSA-N 321.380 3.485 0 40 DGAB Cc1csc(-c2cccc(NC(=O)[C@@H]3CCO[C@@H]3C)c2)n1 92351368 RRLCXEBKZSXULC-BXUZGUMPSA-N 302.399 3.482 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(F)c1F 89949026 MMJMPRCCRMWXRT-LRDDRELGSA-N 322.399 3.092 0 40 DGAB C[C@H](CS(=O)(=O)N(C)[C@@H](C)c1ccco1)c1ccccc1 89904097 HEINPJFKLRKWRJ-KGLIPLIRSA-N 307.415 3.406 0 40 DGAB Cc1nc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)cs1 97022672 DBHGLGFKUIOMMV-CYBMUJFWSA-N 300.786 3.067 0 40 DGAB CC(C)c1ocnc1CN[C@@H](C)c1ccc2c(c1)OCCO2 97033014 DXDLHVQTBGKEPZ-LBPRGKRZSA-N 302.374 3.420 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)CCc3nc[nH]n3)cc2)c1 84211281 AZERPMXSPCLUJP-UHFFFAOYSA-N 322.368 3.477 0 40 DGAB COc1c(C)cc(CN[C@@H](C)c2nnc3ccccn23)cc1C 72032364 NYLCBZAMHFLVJM-AWEZNQCLSA-N 310.401 3.206 0 40 DGAB COc1cccc(C2(c3nc([C@H]4CCOC4)no3)CCCC2)c1 83970563 CBEFLMQVRYVXTD-ZDUSSCGKSA-N 314.385 3.442 0 40 DGAB CCn1cc(N[C@H](C)C(=O)Nc2cccc(SC)c2)cn1 97139859 UYAAASBRIPFAQP-LLVKDONJSA-N 304.419 3.064 0 40 DGAB Cc1csc([C@H]2CN(Cc3nc4ccccc4o3)CCO2)n1 97199605 ONUMYIOVESULHO-CQSZACIVSA-N 315.398 3.166 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@H](C)c1nnc(CC(C)C)o1 76046918 VESPOAAOWHJMKF-TZMCWYRMSA-N 317.437 3.213 0 40 DGAB COC(=O)[C@H](N[C@H](C)c1ccccc1OC)c1ccc(F)cc1 84660868 REWBEPZQIMDMMD-SJKOYZFVSA-N 317.360 3.399 0 40 DGAB CCc1ccc([C@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)o1 95420513 STLKUDJDLBPOJR-RYUDHWBXSA-N 304.356 3.377 0 40 DGAB CC(C)c1sc(Cl)nc1C(=O)Nc1ccc(C(N)=O)cc1 95478379 CWEIFCUOZJKIFI-UHFFFAOYSA-N 323.805 3.271 0 40 DGAB CCN(CC)[C@H]1CCN(c2nc3cc(C)nn3c3ccccc23)C1 78575041 BWJDIJJNPSLMEC-HNNXBMFYSA-N 323.444 3.111 0 40 DGAB CC(=O)Nc1cccc(OCCNCc2cc(F)ccc2F)c1 78552573 HHUYDJLKGBBZJG-UHFFFAOYSA-N 320.339 3.092 0 40 DGAB COCc1cccc(NC(=O)c2cccc(-c3nnco3)c2)c1 95996841 IFBODMPZNQCDOT-UHFFFAOYSA-N 309.325 3.135 0 40 DGAB COC(=O)[C@H]1CCCCCC[C@H]1NC(=O)Nc1cccc(F)c1 79097545 QOBBQRFNMUPJSL-LSDHHAIUSA-N 322.380 3.459 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1CCCc2[nH]ncc21 79098457 WWHHKNKYVRFVKC-ZDUSSCGKSA-N 303.793 3.142 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)Nc2nc3c(s2)COCC3)cc1 89629751 RTBFZRCVXPMINC-LLVKDONJSA-N 317.414 3.407 0 40 DGAB CN(C(=O)CCCC(=O)N(C)c1ccccc1)c1ccccc1 75304375 AIMLJROEEMYEDJ-UHFFFAOYSA-N 310.397 3.483 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)n2cc(Br)cn2)c1C 28304402 RMWGDWHWQVPNHH-NSHDSACASA-N 322.206 3.462 0 40 DGAB CCOc1cccc(CNS(=O)(=O)Cc2ccc(C)cc2)c1 20106268 AESYLBKKRYCVMB-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB O=C(Nc1cccc2ccccc12)N1CC[C@](O)(C(F)(F)F)C1 72305968 NUSFSDQCWXORLR-OAHLLOKOSA-N 324.302 3.371 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@@H](C)CC(=O)c2ccc(F)cc2)CCO1 182812639 VJNZAGFUPVBRLR-JGGQBBKZSA-N 321.392 3.108 0 40 DGAB Cn1cc(CN2CC[C@H](Cc3ccc4ncccc4c3)C2)cn1 72368002 GFBBLBNPRYJLGH-MRXNPFEDSA-N 306.413 3.033 0 40 DGAB Cc1nn(C)c(C)c1CNC(=O)c1cc(-c2ccco2)cs1 72243231 WXAOJUHRJMWEDM-UHFFFAOYSA-N 315.398 3.288 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)cc1 72227488 FYNFMFOMPCYPJZ-HUUCEWRRSA-N 320.314 3.429 0 40 DGAB CCCn1nc(C)cc1NC(=O)Nc1cc(OC)ccc1OC 32609922 VFEIKARTSSRTFF-UHFFFAOYSA-N 318.377 3.263 0 40 DGAB CN(Cc1ccncc1)C(=O)c1ccc(F)c(Br)c1 79408358 AARMFOPREUSCIC-UHFFFAOYSA-N 323.165 3.255 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)N[C@@H](C)CC 225091010 MMNRRTZSJFPZLK-JKSUJKDBSA-N 318.461 3.427 0 40 DGAB CN1CCC[C@@H]1[C@@H](O)c1c[nH]c2ccc(Br)cc12 88283115 HTOSGRDNJROXTF-KGLIPLIRSA-N 309.207 3.058 0 40 DGAB C[C@H]1CCCN(c2ncc3c(n2)CN(C2CCCCC2)C3=O)C1 46088834 JYRBLPNITVVEIQ-ZDUSSCGKSA-N 314.433 3.001 0 40 DGAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)NC1CCCCC1 225439496 CAIFYHOIQPXIDK-LBPRGKRZSA-N 314.385 3.457 0 40 DGAB biogenic,in-vitro CN1CC(=O)[C@@H](c2ccccc2Oc2ccc(Cl)cc2)C1=O 85344725 VOTGBXTUIFUDJK-MRXNPFEDSA-N 315.756 3.257 0 40 DGAB Cc1cc(C)c2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1C 20357830 FEAUMMRRQSYHNA-ZIAGYGMSSA-N 315.413 3.327 0 40 DGAB biogenic Cc1ccc(CN2C[C@H]3CN(Cc4cccnc4)C[C@@H]3C2)s1 96053733 JYSXYYBSSDLCQK-IAGOWNOFSA-N 313.470 3.015 0 40 DGAB COc1c(F)cc(NC(=O)N2C[C@H](C)S[C@H](C)C2)cc1F 96434184 GCGFRJLRBUACHM-DTORHVGOSA-N 316.373 3.331 0 40 DGAB CC1(C)[C@@H](NCCc2nnc3ccccn23)C[C@H]1c1ccccc1 97379781 DUYITCFSRIAQLQ-IRXDYDNUSA-N 320.440 3.444 0 40 DGAB CC(C)OC[C@@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96040514 LAPUEBVKYADKKT-RDJZCZTQSA-N 323.458 3.184 0 40 DGAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1C[C@H]2CCC[C@@H]2C1 96462269 VTQKEMIJGVMTJF-HZPDHXFCSA-N 322.412 3.221 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)cn1 96432911 MSVXRQIWUQSJCT-QZTJIDSGSA-N 310.397 3.118 0 40 DGAB Cc1cnc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)s1 96192515 MLYFASXVLRUBKF-HNNXBMFYSA-N 319.361 3.112 0 40 DGAB Cc1nc(NC[C@@H](C(=O)O)C(C)C)c2c3c(sc2n1)CCC3 1594460250 ZOXNMHJDJIZAQE-LLVKDONJSA-N 319.430 3.257 0 40 DGAB C[C@@H](CC(=O)c1ccco1)NC(=O)[C@H]1CCCc2ccccc21 95413768 RIBIRRSJWMUGOI-BBRMVZONSA-N 311.381 3.477 0 40 DGAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@H](N)c1ccccc1 237112798 YRCPDVJUEHJYQI-OAHLLOKOSA-N 322.330 3.364 0 40 DGAB O[C@@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cnoc2C2CC2)C1 583614647 JOVPHZLRNMOCDD-CJNGLKHVSA-N 320.339 3.138 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)n1 257298159 RKKSSUQFZBMGNN-SFHVURJKSA-N 323.440 3.156 0 40 DGAB Oc1cccnc1CN1CCC[C@@H](c2nc3ccccc3o2)C1 585084410 WWYNXRBSGHWCGR-CYBMUJFWSA-N 309.369 3.308 0 40 DGAB Cc1csc(Cl)c1NS(=O)(=O)c1cnn(C(C)C)c1 585129805 XKKAQUFKCMXOEI-UHFFFAOYSA-N 319.839 3.288 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)[C@H]2C[C@H]2c2ccccc2)cc1 69557470 BNJDYKVDXZRZAM-OALUTQOASA-N 322.408 3.107 0 40 DGAB CC(C)c1nc(N(C)C)nc(N2C[C@H](C)[C@H]2c2ccccc2)n1 95981601 VYUGGJDZSWQGNT-ZFWWWQNUSA-N 311.433 3.258 0 40 DGAB CCC[C@H]1C[C@@H](C(=O)N(Cc2nnc(C)o2)C(C)(C)C)CCO1 97235998 FOFLHLSPAHBJST-KBPBESRZSA-N 323.437 3.100 0 40 DGAB CN(CCCN(C)c1ccc(C=O)cc1)C(=O)OC(C)(C)C 1772715343 ZVZFEVUFZDTJIT-UHFFFAOYSA-N 306.406 3.192 0 40 DGAB Cc1ccc2cc(CNc3ccc4c(c3)OCO4)c(=O)[nH]c2c1C 12566078 XJOSOXCMHFSTSU-UHFFFAOYSA-N 322.364 3.486 0 40 DGAB Fc1ccccc1NC(=S)Nc1ccc2c(c1)OCCO2 13790724 YQZFLANSYFPKAN-UHFFFAOYSA-N 304.346 3.406 0 40 DGAB O=c1cc([C@@H]2CCCCN2C2CCCC2)nc(-c2cccnc2)[nH]1 19340863 PGOMRJVITDRYGY-KRWDZBQOSA-N 324.428 3.302 0 40 DGAB Cc1cc(N2CCC(CNC(=O)[C@@H]3CC=CCC3)CC2)ccn1 253408693 YMRDDEAVQAZOSL-QGZVFWFLSA-N 313.445 3.079 0 40 DGAB COc1cc(NC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc(OC)c1 15015099 NJFULHONURYFPD-FUNVUKJBSA-N 317.385 3.038 0 40 DGAB O=C(NCc1csc(Br)c1)[C@H]1CC=CCC1 32923024 CMZHHEXQJFTASK-JTQLQIEISA-N 300.221 3.483 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@@H]1c1cccc(F)c1 25310081 OZXBJRZJHIXGOI-INIZCTEOSA-N 300.333 3.039 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)[C@H]1C=C[C@H]2C1 100376699 BYXMVCRHLWBFFG-VDUILEQBSA-N 307.271 3.017 0 40 DGAB Cc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)c(C)n1 51326853 FEPPEYPGGIMSAK-LJQANCHMSA-N 324.424 3.284 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)c1cc2ccccc2o1 133119 AZYNZYXEBIILNE-UHFFFAOYSA-N 305.337 3.282 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCC1 212413 FYFRKLHNAOOZII-MRXNPFEDSA-N 304.409 3.050 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc(C(C)C)cc2N)cc1 235562 GVXKPLWVYHDZKI-UHFFFAOYSA-N 312.369 3.431 0 40 DGAB Cc1ccnc(N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)n1 1358051 KBDCAYIUSREJMD-INIZCTEOSA-N 324.428 3.257 0 40 DGAB O=C(O)[C@H]1[C@@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 1753220 DNEKUWFJUMEDPQ-GDBMZVCRSA-N 315.756 3.314 0 40 DGAB CCn1cc(C(=O)NCc2ccccc2C(F)(F)F)c(C)n1 2763361 WNYHMFLTOAUPHC-UHFFFAOYSA-N 311.307 3.160 0 40 DGAB CC(=O)c1cccc(NC(=S)NC(=O)C2CCCCC2)c1 358930 JZFVOLBYCKCYKZ-UHFFFAOYSA-N 304.415 3.283 0 40 DGAB CCCNC(=O)c1cc(-c2ccc(Br)cc2)on1 3907721 PWHHISQKXKECNY-UHFFFAOYSA-N 309.163 3.244 0 40 DGAB aggregator CCCCNC(=O)N[C@H](c1ccc(Cl)cc1)c1nccn1C 29723293 CTVCKBJFMQOJFA-CQSZACIVSA-N 320.824 3.262 0 40 DGAB CC(C)O[C@H]1O[C@H](OC(C)C)[C@H](OC(C)C)O[C@H]1OC(C)C 4429416 GMBSISAMOWPLPY-GEEKYZPCSA-N 320.426 3.038 0 40 DGAB Cc1ccc(C(=O)CCC(=O)NCc2nc(C)cs2)cc1 21482238 BTJFXKFOQHTJKE-UHFFFAOYSA-N 302.399 3.039 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCN2CCc3ccccc3C2)c1 32817044 IWMWPHYUWMZDTF-UHFFFAOYSA-N 322.452 3.482 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)NC2CCC(O)CC2)c1C 78932834 NNKRPLNHUVLVPX-HTWSVDAQSA-N 316.445 3.453 0 40 DGAB CC(C)c1cccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)c1 8116614 SXJSJSAVAUMAQH-UHFFFAOYSA-N 317.410 3.466 0 40 DGAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@H](C)C2)c1 22057235 FXJGBWQQNDDVNW-AWEZNQCLSA-N 320.433 3.154 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)[C@@H]1CCCO1 46972196 KMGCEQAYUOAPSP-BNOWGMLFSA-N 308.447 3.334 0 40 DGAB CN1CCN(C(=O)c2cc(Cl)c(Cl)c(Cl)c2)CC1 59842922 XGPVKXOLLMVUCJ-UHFFFAOYSA-N 307.608 3.034 0 40 DGAB O=C(Nc1cc(-c2ccccc2)on1)N1CCOC2(CCC2)C1 104333027 DKOKUSDZJADXMV-UHFFFAOYSA-N 313.357 3.128 0 40 DGAB O=C(c1cccc(Br)c1)N1CCO[C@@H]2CCCC[C@@H]21 37653075 QMKYZUVOFGJVTG-UONOGXRCSA-N 324.218 3.233 0 40 DGAB O=C(/C=C/c1ccsc1)N1CCN(c2ccccc2F)CC1 12533429 DWQAMEKUROUXPD-AATRIKPKSA-N 316.401 3.249 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@H]1C[C@@H]2NCc1ccccc1 100020312 HFIAICRLCXYAAE-XHSDSOJGSA-N 302.418 3.174 0 40 DGAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 1320280 IRQINRJAPSXQQH-IBGZPJMESA-N 309.365 3.052 0 40 DGAB CCN1C(=O)C[C@H](Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O 102845732 OBCMUSUFTWHAPX-KRWDZBQOSA-N 324.380 3.347 0 40 DGAB O=C(c1ncncc1Cl)N1CCC(=Cc2ccccc2)CC1 89828164 HDQDUTDHBQZQBM-UHFFFAOYSA-N 313.788 3.450 0 40 DGAB O=[S@](Cc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 89857585 MEJUUDBCUSEFOH-QFIPXVFZSA-N 318.348 3.458 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1cccnc1N1CCCC1 24749727 HSSPOTYNBQXIOF-SFHVURJKSA-N 321.424 3.489 0 40 DGAB CCN(CCc1nccs1)C(=O)Cc1ccc(F)c(F)c1 89969229 XOKPMIBWCAGBDC-UHFFFAOYSA-N 310.369 3.055 0 40 DGAB O=C(Nc1ccccc1F)[C@@H]1CCCN1C(=O)c1cccs1 20400225 APGUMSIACMPUQQ-ZDUSSCGKSA-N 318.373 3.131 0 40 DGAB Cn1nccc1CNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 76041375 WDFZCZOSJLNLSZ-KGLIPLIRSA-N 324.211 3.147 0 40 DGAB CCC(CC)C(=O)Nc1nn2c(-c3ccccc3)nnc2s1 20902164 YPUBZVFPUKTAMQ-UHFFFAOYSA-N 315.402 3.228 0 40 DGAB COc1cc(CNCc2ccccc2-n2cccn2)cc(OC)c1 58208848 VKRJNVQKOQYDFA-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB O=C(Nc1cn[nH]c1)N[C@@H]1CCSc2ccc(Cl)cc21 45269155 ASYFWVDRKXUIIR-LLVKDONJSA-N 308.794 3.422 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccccc2F)cc1OC 12786227 WIGPCOQAKUSYIT-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB COc1ccc(F)cc1C(=O)NCCc1cccc2cccnc12 12898153 AKYLUUYBPNANKN-UHFFFAOYSA-N 324.355 3.355 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ncc(C)s2)cc1 3560783 VSIRLEMEUFXPJV-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB Cc1ccccc1C(=O)NCc1ccc(NC(=O)C2CC2)cc1 12983648 MPHZGYNKEDPZHU-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)N(C)Cc2ccco2)c1 64357004 GGEYAHRTYJRHSQ-UHFFFAOYSA-N 310.357 3.438 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)N(C)Cc3cscn3)c2c1 65533708 VGTIKGLKCSGNLO-UHFFFAOYSA-N 313.426 3.442 0 40 DGAB COc1c(Cl)cc(Cl)cc1CNC1CCC(O)CC1 65888295 UPXRXPRCVXSIQN-UHFFFAOYSA-N 304.217 3.395 0 40 DGAB Cc1csc(NC(=O)/C=C/c2cc(F)cc3c2OCOC3)n1 8776366 BQXAMMNRXTZMRG-NSCUHMNNSA-N 320.345 3.109 0 40 DGAB COc1cc2c(cc1[C@H]1Nc3ccccc3C(=O)N1C)O[C@H](C)C2 15250775 OCLBNEDXVITZEO-ZMZPIMSZSA-N 324.380 3.215 0 40 DGAB CCOc1ccc(C(=O)N2C[C@@H](N(C)C)Cc3ccccc32)cc1 67204868 NKMZQQLGCKMEQW-KRWDZBQOSA-N 324.424 3.218 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2ccc(OC)cc2)cc1 7053438 AFINQWKWOHMIMZ-UHFFFAOYSA-N 305.399 3.449 0 40 DGAB O=C1CN(C(=O)CCSc2ccccc2)c2ccccc2N1 15912445 IROMXNJJRKHQBP-UHFFFAOYSA-N 312.394 3.154 0 40 DGAB O=C(c1cc(F)c(F)cc1Cl)N1CCO[C@H]2CCC[C@H]21 71830858 XXSROAARIVQEII-OLZOCXBDSA-N 301.720 3.012 0 40 DGAB Fc1cc2ncn(Cc3nccn3CC(F)(F)F)c2cc1F 71914893 BFGCVXOQWABTMM-UHFFFAOYSA-N 316.233 3.122 0 40 DGAB CCCN1C(=O)N[C@](Cc2ccccc2)(c2ccccc2)C1=O 9683471 WBQBWTZQDLNTTF-LJQANCHMSA-N 308.381 3.086 0 40 DGAB CCn1cc(CN2CCC(OCc3ccccc3F)CC2)cn1 97051429 FQUAYNPMBRBDIW-UHFFFAOYSA-N 317.408 3.223 0 40 DGAB COc1ccc(C)cc1C[S@](=O)Cc1nnc(C(C)(C)C)o1 97083491 DWTYYMUOVVTUTL-JOCHJYFZSA-N 322.430 3.133 0 40 DGAB C[C@@H](O)CN(C(=O)Nc1ccccc1N(C)C)C1CCCCC1 97112951 IRHLEZSUSVNPQT-CQSZACIVSA-N 319.449 3.300 0 40 DGAB Cc1cc(F)cc(C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)c1 79837631 YPWXZHWAJWBRDO-UHFFFAOYSA-N 310.332 3.480 0 40 DGAB C[C@@H](CCc1ccco1)NC1CCN(C(=O)c2ccoc2)CC1 95419373 IWSRMWQSEGVTMT-AWEZNQCLSA-N 316.401 3.088 0 40 DGAB COCCSCc1cccc(NC(=O)NC2CC=CC2)c1 95414259 VGLIEAIRCMXWJY-UHFFFAOYSA-N 306.431 3.406 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N2CCC[C@@H](C)C2)cc1OC 20035521 ZKVFMPZHMDEMJK-OLZOCXBDSA-N 323.458 3.443 0 40 DGAB CCCCOc1ccc(C(C)(C)CNc2ncnc(N)n2)cc1 27532745 QKADHZXDAXBMEN-UHFFFAOYSA-N 315.421 3.022 0 40 DGAB O=C(NCC1CC1)Nc1ccn(Cc2cccc3cccnc23)n1 95960380 HKKMJKCZQWIWEE-UHFFFAOYSA-N 321.384 3.011 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@H](C)c2ccccc2)c1 95953993 MEFZMQLIJJLOAB-OAHLLOKOSA-N 310.397 3.462 0 40 DGAB O[C@@H](CN(Cc1ccccc1)C[C@@H]1CCOC1)c1cccs1 88604412 BYZJGJKXEWJCCS-IRXDYDNUSA-N 317.454 3.320 0 40 DGAB Cc1ccc(S[C@@H](C)C(=O)Nc2cccc(C(N)=O)c2)cc1 9908654 GMKFQNCXNMGQLM-LBPRGKRZSA-N 314.410 3.213 0 40 DGAB CCOc1ccc(O)c(/C=C2/SC(=O)N(C(C)C)C2=O)c1 409019062 XTYDHUULVFFVJG-MDWZMJQESA-N 307.371 3.236 0 40 DGAB CC1(C)C(=O)CC[C@]2(C)[C@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 36375286 MPDUJZZNNBJFAB-YBDDNXDTSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro C[C@H]1C[C@H](C)CN(C(=O)CN2CCC(c3ccccc3)CC2)C1 514775107 NGLLEHGUYFMFNN-IRXDYDNUSA-N 314.473 3.371 0 40 DGAB COc1ccc([C@@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 3843115 PTQBOCPNGDXICW-OAHLLOKOSA-N 310.382 3.302 0 40 DGAB biogenic O=C(Nc1ccc2c(c1)OCO2)c1ccc(N2CCCC2)cc1 36139738 NXSQGKTYAWIGLX-UHFFFAOYSA-N 310.353 3.268 0 40 DGAB CC[C@H](COc1ccccc1)NC(=O)Cc1c(C)noc1Cl 72893731 CJOMXSZEJGEYBE-GFCCVEGCSA-N 322.792 3.153 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@@H]1COC2 75166523 MQIZBGDUQPIGTB-KDURUIRLSA-N 307.393 3.286 0 40 DGAB CN(C)c1cccc(C2CCN(C(=O)Cc3ccccc3)CC2)n1 72368677 PZQXSEJFRBFEAN-UHFFFAOYSA-N 323.440 3.096 0 40 DGAB CN(Cc1cscn1)C(=O)N[C@@H](C1CCCC1)C(F)(F)F 185497544 XWGCXROHBCMETF-NSHDSACASA-N 321.368 3.406 0 40 DGAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3cccnc3)C2)n1 72369937 AHSSVUYRGYPCND-MRXNPFEDSA-N 320.396 3.430 0 40 DGAB CSC[C@H](C)N(C)C(=O)Nc1cc(F)ccc1-n1cccn1 77460396 SNUACIKDVOXUFL-NSHDSACASA-N 322.409 3.227 0 40 DGAB Cc1nc(CCNC(=O)c2sccc2OC(F)F)cs1 78498436 POALTVVIEOOEKU-UHFFFAOYSA-N 318.370 3.087 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccc(Br)cc3)=NN[C@H]2C1 228939261 ZVDYUHLWFOFRDR-AAEUAGOBSA-N 321.218 3.130 0 40 DGAB COc1cccc(OCC(=O)NCCCc2cccc(C)c2)c1 222791051 JPMJKUKFJCTPOV-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB C[C@H](N[C@H](C)c1cccc(O)c1)c1ccc(-n2ccnn2)cc1 194938301 UQQAUDWSBUVHQU-UONOGXRCSA-N 308.385 3.385 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4cccc(F)c4)C[C@H]3C2)o1 96053863 BJPPALGUHJGSHI-IRXDYDNUSA-N 314.404 3.291 0 40 DGAB CC(=O)N1CCCN(CCCc2cccc3ccccc23)CC1 96412939 BZUZLDHCRFDRLJ-UHFFFAOYSA-N 310.441 3.327 0 40 DGAB CC[C@H]1CCc2c(sc(=O)n2Cc2csc(COC)n2)C1 96428915 OFNCEJGPLBSTBL-JTQLQIEISA-N 324.471 3.076 0 40 DGAB C[C@@H](O)CC(C)(C)CNC(=O)Nc1cc(Cl)ccc1F 96433808 FOPSYMARKFCGEN-SECBINFHSA-N 302.777 3.398 0 40 DGAB CCc1ccc(CN2CCC3(CC2)CN(c2ccccc2)C3=O)o1 96202915 RSRDBAHRDUIFIH-UHFFFAOYSA-N 324.424 3.471 0 40 DGAB Cc1ccc(CN2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)o1 248111962 RAZHYSOHYBRNIU-RYQLBKOJSA-N 300.402 3.069 0 40 DGAB c1cnc2c(CN3CCC[C@H](Cc4ccn[nH]4)C3)cccc2c1 257281898 ORJZYULNGGUPRK-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257294686 QVGZCZLBYUPWNI-SFHVURJKSA-N 323.440 3.384 0 40 DGAB COc1ccc([C@H](O)CN2CC[C@H](c3ccccc3)C2)cc1F 71844048 IJEUTHAGWVIKGR-FUHWJXTLSA-N 315.388 3.357 0 40 DGAB Cc1nnc(CSc2nnc(-c3ccccc3Cl)n2C)o1 5448176 FITPPMUKORXZNC-UHFFFAOYSA-N 321.793 3.119 0 40 DGAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1 5755465 ZSSVWAGBWGLFNJ-JTQLQIEISA-N 319.744 3.230 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391259 CQVSXOZEUNBHDE-UHFFFAOYSA-N 313.353 3.273 0 40 DGAB CC(C)CNC(=O)CSc1nnc(Nc2ccccc2)s1 3530658 SFPHAHGTPBVKJB-UHFFFAOYSA-N 322.459 3.146 0 40 DGAB Cc1cc([C@@H]2NC(N)=Nc3nc4ccccc4n32)c(C)n1C(C)C 7030697 DPLLSFBPKSKGFI-MRXNPFEDSA-N 322.416 3.132 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 25375098 IHLOAGYWSPWYPD-VXGBXAGGSA-N 321.364 3.394 0 40 DGAB CC(C)(C)C(=O)Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2 5252306 UPQSCGDRJHPKCR-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB Cc1ccnc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)c1 11693158 QLPLSOHDUSCSJZ-UHFFFAOYSA-N 311.316 3.365 0 40 DGAB CCOc1cccc(-c2nn3c(CC(C)C)nnc3s2)c1 11278611 OQVXTSLTMZWGGX-UHFFFAOYSA-N 302.403 3.450 0 40 DGAB COc1ccc2o/c(=N\c3ccc(C)cc3)c(C(N)=O)cc2c1 17040836 VUARYBZHCNKYRD-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB O=C(NCCC1=CCCCC1)Nc1ccc(-n2cccn2)nc1 40120993 CPAGLFKWYAJWIJ-UHFFFAOYSA-N 311.389 3.279 0 40 DGAB NC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCCCC2 127429 MMTUBEORXSCWIH-UHFFFAOYSA-N 314.410 3.368 0 40 DGAB O=C1CN(c2ccccc2)C(=S)N1c1ccc(Cl)cc1 47558 QBDMKWZJIMHMQR-UHFFFAOYSA-N 302.786 3.478 0 40 DGAB Cc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)cc1 429240 VGONYHSWBZGUPU-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB O=C(NC1CC1)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29436193 URCWDXCKUSASBI-SFHVURJKSA-N 305.381 3.273 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1nc(-c2cccs2)no1 20745898 JLDWKWPINUIJPR-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CN1CCC[C@@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 11819759 RMBBFVNXODGTGH-QGZVFWFLSA-N 320.396 3.263 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 364635 WGZWZXZDIWZGKH-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB CCCCNC(=O)CSc1nnc(-c2cccs2)n1CC 3596425 KIKMKVQFHBNZJN-UHFFFAOYSA-N 324.475 3.035 0 40 DGAB CC[C@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 3604208 YWMGTSLBKFSLGY-QMMMGPOBSA-N 309.460 3.315 0 40 DGAB COc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1OC 102192147 KUTCBOAMESXHRU-OSFYFWSMSA-N 303.402 3.258 0 40 DGAB C[C@@]1(C(=O)OCc2ccc(F)cc2)Cc2ccccc2C(=O)O1 32721664 PYZTXZSZMCGDRR-SFHVURJKSA-N 314.312 3.041 0 40 DGAB CSc1ncccc1C(=O)Nc1ccccc1Cn1cccn1 32832868 AYAMLUNSOFJLSY-UHFFFAOYSA-N 324.409 3.301 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@@H]2C3)c1 7007644 LSMRYOJBUVLCQT-MJBXVCDLSA-N 317.385 3.003 0 40 DGAB CC[C@H](C)NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 32899900 LUVHYCGIZTUBDP-JTQLQIEISA-N 312.373 3.065 0 40 DGAB CC[C@@H](C)NC(=O)CSc1cc(-c2ccccc2)ncn1 11903049 LAUUAMDSBTWMMM-GFCCVEGCSA-N 301.415 3.150 0 40 DGAB COc1ccc([C@H](C)NC2CCOCC2)cc1Br 37105856 LXPHTMMXDYRKFT-JTQLQIEISA-N 314.223 3.287 0 40 DGAB Cc1ccc(C(=O)N(CC(F)(F)F)c2nc(C)cs2)cn1 60543325 NKWHLQCGAIYQDD-UHFFFAOYSA-N 315.320 3.364 0 40 DGAB O=C(NC1C[C@@H]2CC[C@@H](C1)N2C1CC1)c1ccc(Cl)cc1 100422964 FWMBFLKMSWCYHJ-HOTGVXAUSA-N 304.821 3.228 0 40 DGAB O=C1Cc2cc(-c3csc(Nc4ccccn4)n3)ccc2N1 23625551 FTRKITNFDUEJRB-UHFFFAOYSA-N 308.366 3.443 0 40 DGAB O=C(NCc1ccccc1OC(F)(F)F)NC1CCCC1 54036279 HJKVSTBSKLDHQL-UHFFFAOYSA-N 302.296 3.327 0 40 DGAB CC1CCN(CCCNC(=O)[C@@H](C)Sc2ccccc2)CC1 10540280 UQIYRSJJFJMERZ-MRXNPFEDSA-N 320.502 3.405 0 40 DGAB O=C(Cc1coc(-c2ccccc2)n1)NOCc1ccccc1 25285214 KURLHGVDIZJMLW-UHFFFAOYSA-N 308.337 3.132 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)CSc1cccc[n+]1[O-] 3224180 SESHUCHMMVIAQS-UHFFFAOYSA-N 316.426 3.483 0 40 DGAB O=C(COc1ccc(F)cc1F)Nc1nc(C2CC2)cs1 25564346 HYFJLHUVLMFNIB-UHFFFAOYSA-N 310.325 3.316 0 40 DGAB C[C@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 25594767 MJBHJASTQJFCOC-ISVAXAHUSA-N 324.833 3.058 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@H]1CCCO1 81659491 IXOHLXSWXZAXAE-SNVBAGLBSA-N 322.561 3.359 0 40 DGAB CC[C@@](C)(NCc1ccccc1)c1nnnn1-c1ccccc1 35622455 QVUZFPQSGGBBNK-GOSISDBHSA-N 307.401 3.077 0 40 DGAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cccc(F)c1 27978182 CWIOLLLWIOZCIX-AWEZNQCLSA-N 317.316 3.351 0 40 DGAB O=C(CSc1ncnc2ccsc12)Nc1ccc(O)cc1 58344324 WMHBIQPQCZZPFZ-UHFFFAOYSA-N 317.395 3.128 0 40 DGAB COc1ccc(CN(C)CC(=O)N[C@H](C)c2cccs2)cc1 12760809 ZPJMAICABXZTQP-CYBMUJFWSA-N 318.442 3.066 0 40 DGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)c2ccc(F)cc2)c1 3555379 MNFMUIRGRMASFL-UHFFFAOYSA-N 314.360 3.153 0 40 DGAB Cc1cccc(OCc2nn3c(C(C)(C)C)nnc3s2)c1 13494625 SAHQLDIRHRFBPU-UHFFFAOYSA-N 302.403 3.371 0 40 DGAB CN(c1c(F)cccc1F)S(=O)(=O)c1ccccc1Cl 49306661 AHLPPFJOKTVJED-UHFFFAOYSA-N 317.744 3.443 0 40 DGAB CCOc1ccc(NC(=O)NCCCOC)c(C(F)(F)F)c1 64564197 YXWFEGRJMBBRKZ-UHFFFAOYSA-N 320.311 3.262 0 40 DGAB COC(=O)c1oc(COc2cc(C)ccc2NC(C)=O)cc1C 69815026 RSEMAVODZWYTSZ-UHFFFAOYSA-N 317.341 3.220 0 40 DGAB CC[C@H](NC(=O)COc1ccccc1OC)c1nc(C)cs1 69815367 GKBRTEIQFOSUFE-LBPRGKRZSA-N 320.414 3.106 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)Nc2cccc(C(C)=O)c2)cc1 6313291 VUXBBDJIJNMZRQ-DHZHZOJOSA-N 323.348 3.328 0 40 DGAB CCC(C)(C)NC(=O)[C@@H](C)[S@@](=O)Cc1cc(C)ccc1C 69529689 DDPDXJGKHBNDOG-SPLOXXLWSA-N 309.475 3.245 0 40 DGAB Cc1ccc(CN(C)Cn2ncn(C3CC3)c2=S)c(C)c1 14163305 IOUUNWGMXIFJSQ-UHFFFAOYSA-N 302.447 3.455 0 40 DGAB COc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 21915425 GNIKBTLSAAXDGU-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cnn(C)c3)c[nH]c2c1 69625305 ABUGSUADKZMQTE-SFHVURJKSA-N 322.412 3.116 0 40 DGAB CCc1n[nH]c(SCc2ccc(NC(=O)C(C)C)cc2)n1 20611420 JIJUXNYPUDTDMF-UHFFFAOYSA-N 304.419 3.254 0 40 DGAB Cc1c(C)n(CCO)c2ncnc(Nc3ccccc3Cl)c12 6660331 FXLQQUCLWBYELI-UHFFFAOYSA-N 316.792 3.437 0 40 DGAB Fc1ccc(-c2[nH]ncc2CNCCOc2ccccc2)cc1 8710037 BGWQFNFHTXETSG-UHFFFAOYSA-N 311.360 3.384 0 40 DGAB CCN(C[C@H](O)COCc1ccc(OC)cc1)C1CCCCC1 6939117 DGBHBMJXLFYWPU-SFHVURJKSA-N 321.461 3.227 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cc(F)cc(F)c1 7032410 CZERJSDAEGATLV-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB Cc1ccc(-c2[nH]ncc2[C@@H]2NC(=O)c3ccccc3N2)cc1 8778842 GUZUMXKUJKNTGN-KRWDZBQOSA-N 304.353 3.239 0 40 DGAB Cc1cccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1C 15860717 YEGRACYHIAVRGB-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB Cc1nc(C[C@H]2CCCN(Cc3cccc4[nH]ccc34)C2)no1 92814330 JNNMTONKCBQBSA-CQSZACIVSA-N 310.401 3.314 0 40 DGAB O=S(=O)(Oc1cccnc1)c1cc(Cl)cc(Cl)c1 96006746 IATOFKCACZSOQG-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB CO[C@H](C(=O)Nc1cc(C)ccc1NC(C)=O)c1ccccc1 96003787 RQCSKENGFPKJIB-KRWDZBQOSA-N 312.369 3.280 0 40 DGAB CCCn1nc(C)c(CN(C)[C@H]2CCN(CC)C[C@@H]2C)c1C 93638681 LTWQWLLWMVYUCR-KSSFIOAISA-N 306.498 3.072 0 40 DGAB CCO[C@H]1C[C@H](NC2CCN(C(=O)CC)CC2)C12CCCCC2 89941630 CTVRXOLIWGNOSK-IRXDYDNUSA-N 322.493 3.105 0 40 DGAB Cc1ncc(CNC(=O)NCCCc2cccc(F)c2)s1 71890276 YPLUWELHCNYCMO-UHFFFAOYSA-N 307.394 3.023 0 40 DGAB Cc1ncsc1CNc1nnc(Cc2ccccc2F)o1 97045530 AXBIIPPILSHGHR-UHFFFAOYSA-N 304.350 3.177 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@H](C)C1 71920658 UINNFBJPLWZSMY-UONOGXRCSA-N 300.402 3.074 0 40 DGAB CCSCCC(=O)NC1CCN([C@H](C)c2ccccc2)CC1 71909302 AFGNPFJFVDXKPN-OAHLLOKOSA-N 320.502 3.471 0 40 DGAB COc1ccc(OC)c(CC(=O)NCc2ccccc2Cl)c1 20447762 HBRPECRGMAGKJK-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB CC[C@@H](NC(=O)NC[C@@H](C)c1nccs1)c1nc(C)cs1 97110504 AQMYJGRFVRJOAP-MWLCHTKSSA-N 324.475 3.462 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@H]21 95466220 HJSNSLVFXZGHHX-GDBMZVCRSA-N 317.433 3.032 0 40 DGAB Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C)no3)[C@@H](C)CO2)c1 78877686 HOPGTOIJUPHCGG-WMLDXEAASA-N 314.385 3.202 0 40 DGAB CCS[C@H]1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 95990130 RQWMXCXPHCRTDA-GJZGRUSLSA-N 302.447 3.236 0 40 DGAB COc1ncccc1N(C)C(=O)c1scnc1C1CCCC1 95940031 KRKXKBIPNUBXPZ-UHFFFAOYSA-N 317.414 3.481 0 40 DGAB CC(C)c1noc(CCN[C@@H](C)c2ccccc2N(C)C)n1 89556170 IEWKXQJWYXTKNK-ZDUSSCGKSA-N 302.422 3.152 0 40 DGAB COc1ccccc1NC(=O)CN1Cc2cc(C)c(C)cc2C1 409201252 OXCVPVLVJGEAHU-UHFFFAOYSA-N 310.397 3.266 0 40 DGAB C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1nccs1 72203974 JDHIYJVEFBSJLC-NSHDSACASA-N 311.451 3.193 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)c1 38666534 LAXJZAQAZLVJTA-AWEZNQCLSA-N 301.415 3.175 0 40 DGAB CCn1nc(C)c(S(=O)(=O)Nc2ccc(C(C)C)cc2)c1C 72239107 DCZPRQKTRGDPKA-UHFFFAOYSA-N 321.446 3.444 0 40 DGAB O=C(O)c1cc(O)n(-c2cc(Cl)c(Cl)cc2Cl)n1 217706404 OJHRNVMIQYQUCH-UHFFFAOYSA-N 307.520 3.236 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2N1 78403791 KLYKFGMIGUTJDO-CHWSQXEVSA-N 316.426 3.083 0 40 DGAB CCOC[C@@H]1CCCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 521257706 OSWJZYLUAGHCSG-CQSZACIVSA-N 317.385 3.380 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(C(=O)OC)c2)cc1C 224057169 CRJSCWOUULIEGU-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cn1 225890721 YSRSAZLQXCMWLU-UHFFFAOYSA-N 306.406 3.404 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cc2cccs2)c(C)c1 225846318 GNNZMAHULZCIGC-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 195545436 VISPBCRVSAADKV-DUVNUKRYSA-N 322.474 3.249 0 40 DGAB Cc1nc([C@H](C)NC(=O)Nc2cccc([S@@](C)=O)c2)cs1 96410683 JLMHCBFIPVQWIZ-FPVGNUTFSA-N 323.443 3.072 0 40 DGAB C[C@@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1ccsc1 96472698 MSEXEJFQOVABMV-NSHDSACASA-N 324.446 3.025 0 40 DGAB FC(F)(F)CN1CCc2sc(Br)cc2C1 95097540 NOXNBJVLVQQGFQ-UHFFFAOYSA-N 300.143 3.431 0 40 DGAB COc1ccc(Cl)cc1CCNC(=O)[C@@H]1CCC(=O)C[C@H]1C 95449649 AASSRAZVNCQJBW-IAQYHMDHSA-N 323.820 3.013 0 40 DGAB Cc1cccc(NC(=O)CCn2ncc3ccc(Cl)cc32)n1 96181969 ZIJDGUZFKKGZPK-UHFFFAOYSA-N 314.776 3.422 0 40 DGAB Cc1cc(OC[C@@H](O)c2ccc(C(F)(F)F)cc2)nnc1C 96415109 HCCCQCQZVHJQLE-CYBMUJFWSA-N 312.291 3.225 0 40 DGAB COc1c(F)cc(NC(=O)N[C@H](C)CC(C)(C)OC)cc1F 96434181 RWBKYQXGFQMKSD-SECBINFHSA-N 316.348 3.299 0 40 DGAB COCC[S@](=O)Cc1cccc(NC(=O)CC2CCCC2)c1 96408260 XDMFZIKBVLNIBP-JOCHJYFZSA-N 323.458 3.101 0 40 DGAB O=S(=O)(CCn1ccnc1-c1cccs1)c1ccccc1 95438680 IFAJBTYAUKTJOU-UHFFFAOYSA-N 318.423 3.086 0 40 DGAB Cc1cc(CN2Cc3ncc(C)n3C[C@@H]2c2ccccc2)no1 257278068 OAQXTWMUVGQHLI-QGZVFWFLSA-N 308.385 3.245 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C2)n1 257262031 LJRZNQMELCWQOA-NSHDSACASA-N 323.318 3.367 0 40 DGAB CN(CCc1ccccc1)Cc1ccnc([C@]2(C)CCCO2)n1 257258806 KVPPFZXIEQIPTK-IBGZPJMESA-N 311.429 3.177 0 40 DGAB CO[C@H](CNC(=O)c1nc2ccccc2s1)c1ccsc1 96103331 LTOAOIQYSLZXRF-GFCCVEGCSA-N 318.423 3.475 0 40 DGAB COc1ccc([C@H](C)NC(=O)N[C@@H](C)c2ccccn2)cc1F 45560697 YYFPUWQSAVHBTI-RYUDHWBXSA-N 317.364 3.351 0 40 DGAB Cc1ccc(OCCSCC(=O)Nc2cc(C)on2)cc1 57991605 LQAYPEUOAKSJCO-UHFFFAOYSA-N 306.387 3.042 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(C)o1 69601375 FRBDTGHNDFXITC-JQFCIGGWSA-N 304.434 3.085 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2CCc2ccccc2)cn1 71841415 DEQAHKKQURDNRH-CEXWTWQISA-N 323.440 3.147 0 40 DGAB O=C(O)c1ccc2oc(-c3cncc(Br)c3)nc2c1 159661162 XMBWYALRAOIUTI-UHFFFAOYSA-N 319.114 3.351 0 40 DGAB OC[C@H]1CCN(Cc2ccccc2)C[C@@H]1OCc1ccccc1 1772491077 DAEQJRXBQKIVSA-UXHICEINSA-N 311.425 3.086 0 40 DGAB O=C(O)[C@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 11568031 VSJWFYIUMPSFME-LBPRGKRZSA-N 317.776 3.098 0 40 DGAB Cc1ccccc1NC(=O)CNc1ccccc1N1CCCC1=O 12563108 NTPCRHMPSGEVGA-UHFFFAOYSA-N 323.396 3.172 0 40 DGAB CCOC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1 12873857 JLBJUEQLIMYYMY-KBPBESRZSA-N 319.401 3.032 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 13495431 VCHAIJGSXCMCEL-NSHDSACASA-N 311.316 3.367 0 40 DGAB Cc1ccc(NCc2n[nH]c(=S)n2C[C@H]2CCCO2)c(C)c1 13534191 QBXIZUQROUHVAV-CYBMUJFWSA-N 318.446 3.349 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](C)c2nc(-c3ccncc3)n[nH]2)cc1 13565336 HKXCOFRBGOHBPP-LBPRGKRZSA-N 322.372 3.058 0 40 DGAB O=C(Oc1ccc2c(c1)OCC2=O)C(Cl)=C(Cl)Cl 2144513 PMMNSUAEEQNIGD-UHFFFAOYSA-N 307.516 3.053 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccccc1Cl 5126758 ZYQFQKFOAUSKPF-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB O=c1oc2ccc(Cl)cc2cc1S(=O)(=O)c1ccccc1 2687222 VUGXVUQPQGIUEG-UHFFFAOYSA-N 320.753 3.279 0 40 DGAB CCn1cc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)c2ccccc21 5265941 KFHGXUFCFBOELU-CHWSQXEVSA-N 301.390 3.302 0 40 DGAB Cc1ccc2[nH]c(-c3ccccc3NC(=O)CCC(=O)O)nc2c1 8845126 JLASSTPCLOHLSC-UHFFFAOYSA-N 323.352 3.342 0 40 DGAB CCOC(=O)c1sc(-c2cc3ccccc3oc2=O)nc1C 72332501 HBSQYDOWZKMCLY-UHFFFAOYSA-N 315.350 3.402 0 40 DGAB CCc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1 40097931 XDCGUUOEUCCSHH-UHFFFAOYSA-N 313.401 3.192 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1cccc(N2CCCCC2=O)c1 40511050 CJDSXTQKDWHSBA-MDZDMXLPSA-N 321.380 3.250 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2nnc3ccccn23)C(C)C)cc1 40562832 FTVMQTQARUPTLZ-INIZCTEOSA-N 308.385 3.165 0 40 DGAB CCc1ccc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC(=O)N3)o1 40553577 MRFLZQWRKBVHCA-NSHDSACASA-N 312.369 3.218 0 40 DGAB Cc1cccc(-c2c3c(nc4ncnn24)-c2ccccc2C3=O)c1 185272 UDXGKNMPCPEICP-UHFFFAOYSA-N 312.332 3.311 0 40 DGAB O=C(Nc1ccc(NC(=O)c2ccco2)cc1)c1cccnc1 265156 RIMUVGBEXBLXIH-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@H](CN2CCCCCC2)C1 69742155 HQQZVJKPPLOKPG-QZTJIDSGSA-N 304.478 3.457 0 40 DGAB CC(C)Nc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c1 89887728 RMUFLXUWWLQHJY-APWZRJJASA-N 316.445 3.274 0 40 DGAB CN(CCO)CCN1c2ccccc2Sc2ccccc21 1636909 DHSXOMFXWAZKJH-UHFFFAOYSA-N 300.427 3.213 0 40 DGAB Cc1cc(C)cc(N2C(=O)Nc3ccccc3S2(=O)=O)c1 2715888 HXCPCYBKPCLJMA-UHFFFAOYSA-N 302.355 3.044 0 40 DGAB c1ccc(-c2cnc(CN3CCC(N4CCCC4)CC3)o2)cc1 51951965 GPTNEIRNDXROBV-UHFFFAOYSA-N 311.429 3.402 0 40 DGAB C[C@@H]1CCCN(C(=O)C2CCN(C[C@@H]3CC=CCC3)CC2)C1 317614 OLJQKWVTWYSZGV-IAGOWNOFSA-N 304.478 3.313 0 40 DGAB CC[C@H](C)NC(=O)c1nccnc1-c1nc2ccccc2s1 32743613 IKPPIAAFOLHRHP-JTQLQIEISA-N 312.398 3.282 0 40 DGAB Cc1ccccc1NC(=O)CCNC(=O)c1ccccc1Cl 7609846 DSXYXOMGGBXTQX-UHFFFAOYSA-N 316.788 3.407 0 40 DGAB Cc1ccccc1CNC(=O)c1ccc(N2CCCC2=O)cc1 7977131 CVVMBQXTASYPPF-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB CCc1ccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 11915461 WAQLCHGYXHZPLE-LBPRGKRZSA-N 314.385 3.379 0 40 DGAB O=C(NCCc1ccccc1F)c1cc(-c2ccccc2)no1 32922828 SZWCEOPFXKAVIB-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB Cc1noc(C)c1COC(=O)[C@@H]1COc2ccc(Cl)cc2C1 22639316 BLYZWQPMCGUNHL-LBPRGKRZSA-N 321.760 3.239 0 40 DGAB CCCCCCNS(=O)(=O)c1cccc(Br)c1 23993708 WRZUPBLYAKCXBY-UHFFFAOYSA-N 320.252 3.308 0 40 DGAB O=C(NCCOc1ccc(F)cc1)c1ccc(Cl)cc1F 29295870 ZVWXCVGXZCVXSH-UHFFFAOYSA-N 311.715 3.427 0 40 DGAB O=C(O)C(F)(F)CN(Cc1ccccc1)Cc1ccccc1 35995051 PIMXRMKJPFZDGP-UHFFFAOYSA-N 305.324 3.409 0 40 DGAB Cc1ccc(C[S@@](=O)CCC(=O)Nc2ccccc2)cc1 58158733 MXKMIPFQPTXTLG-OAQYLSRUSA-N 301.411 3.273 0 40 DGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1 2134236 XYGZSEDSXOIEQI-UHFFFAOYSA-N 322.430 3.113 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NO[C@H]1CCCCO1 58330550 SNQHIVUTWKQDPJ-KRWDZBQOSA-N 302.374 3.065 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cc(Cl)c2c(c1)OCCO2 12801283 OBOULTTVDHVIKV-UHFFFAOYSA-N 321.735 3.180 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)oc12 69870977 WAFKEUNXJGTIMZ-OAHLLOKOSA-N 309.369 3.452 0 40 DGAB CCC(C)(C)NCC(=O)Nc1ccc(OC(F)(F)F)cc1 3430009 MOFXXWBWQRVYTA-UHFFFAOYSA-N 304.312 3.302 0 40 DGAB CCc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12979815 TXANXFVMEUXSBX-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB Cc1csc(=O)n1CCC(=O)N1CCCCC[C@H]1C(C)(C)C 69902655 BIMVMFZAOGLXLP-AWEZNQCLSA-N 324.490 3.426 0 40 DGAB Cc1cccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)c1 13131593 FCTTYNTXDHFHFS-JKSUJKDBSA-N 323.375 3.454 0 40 DGAB aggregator C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 6085583 KSFHRYWINZGXNS-KBNZMGLGSA-N 313.328 3.445 0 40 DGAB COc1ccc(C(=O)Nc2cc(F)ccc2C)c(OC)c1OC 6389837 HROKFTJEYKNQTB-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)Cc1ccc(Cl)cc1 20137125 DPNHHIKQCNEPBT-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB O=c1onc(-c2ccccc2)n1Cc1cccc2cccnc12 65723414 PNBHSMBAAQMQAR-UHFFFAOYSA-N 303.321 3.100 0 40 DGAB COc1ccc2sc(SCC(=O)NC3CCCC3)nc2c1 4723928 KTZAOFHPYOPSQB-UHFFFAOYSA-N 322.455 3.456 0 40 DGAB CC(=O)CSc1nnc(-c2ccccc2Br)o1 4740808 YFIATXFFHQPMSA-UHFFFAOYSA-N 313.176 3.180 0 40 DGAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CS3)cc1F 8918973 RYJPOOWPMMQLOX-UHFFFAOYSA-N 316.357 3.431 0 40 DGAB O=C(COC(=O)c1ccc(-n2cccc2)cc1)Nc1ccccc1 5702676 AVDYDLNYNZWPSB-UHFFFAOYSA-N 320.348 3.273 0 40 DGAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H]2CCCN32)cc1 9339050 HVIQEUNKTNKHLH-QGZVFWFLSA-N 321.380 3.168 0 40 DGAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCc2ccccc21 15303977 RCZHMJKBCBKACV-OAHLLOKOSA-N 306.409 3.417 0 40 DGAB CCn1c(CNC(=O)[C@H](c2ccccc2)C(C)C)n[nH]c1=S 80033464 MSGDVFAMEIWUDT-AWEZNQCLSA-N 318.446 3.017 0 40 DGAB CC(C)(C)C(=O)N1CCc2[nH]nc(-c3ccc(F)c(F)c3)c2C1 67513684 QWXJIMFKKLOCHZ-UHFFFAOYSA-N 319.355 3.286 0 40 DGAB CC(=O)Nc1ccc(F)c(-c2nc([C@H]3CCCCCN3)no2)c1 96001541 IQKHKYKIUMHZDN-CQSZACIVSA-N 318.352 3.039 0 40 DGAB COCCn1c(SC(C)C)nc2sc3c(c2c1=O)CCC3 9497838 ATAHIEFAQMWXIJ-UHFFFAOYSA-N 324.471 3.094 0 40 DGAB Cc1ccc(CN2CCn3c(nnc3-c3ccccc3)C2)s1 93842661 GBFAAZDQGWSZOA-UHFFFAOYSA-N 310.426 3.331 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(Cl)cn2C)C1 71830755 YTSKXPNQDXUKCD-VNHYZAJKSA-N 323.868 3.156 0 40 DGAB Cc1cn2c(CNCc3cccc(N(C)C)c3)c(C)nc2s1 71857546 ZMCUPLHCEQLSKZ-UHFFFAOYSA-N 314.458 3.368 0 40 DGAB Cc1cc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)no1 71886588 HNQFJAWWPBEGSS-AWEZNQCLSA-N 306.337 3.292 0 40 DGAB CC(C)c1cc(NC(=O)c2ccc([S@@](=O)C(C)C)cc2)[nH]n1 71921263 MIEXSERNZHNINS-JOCHJYFZSA-N 319.430 3.301 0 40 DGAB CCN(C(=O)CCOC)[C@@H](c1ccc(C)cc1)c1cccnc1 71903069 WVBGTOHFMUADEN-IBGZPJMESA-N 312.413 3.364 0 40 DGAB CN(Cc1cscn1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 76082836 ATVVFMYZAOPTCU-WMZOPIPTSA-N 312.438 3.396 0 40 DGAB O=C(NCCCO)Nc1cccc(Cl)c1SCC(F)F 72290990 REUBUCPJDXNERV-UHFFFAOYSA-N 324.780 3.201 0 40 DGAB CO[C@@H]1CCCN(CCOc2ccccc2C(F)(F)F)C1 76343667 OCYLJAXQCNBPPT-GFCCVEGCSA-N 303.324 3.195 0 40 DGAB CNC(=O)c1ccc(CSc2nncc3ccccc23)cc1 66748037 KBSJZNMGIKFCMO-UHFFFAOYSA-N 309.394 3.282 0 40 DGAB Cc1noc(C)c1[C@@H](C)CC(=O)N[C@](C)(CO)C1CCCCC1 97377656 CVNAWMHPAJTDAW-KPZWWZAWSA-N 322.449 3.233 0 40 DGAB CCN(C(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1)C1CCC1 78824981 LCLXVUPXTDJLCX-INIZCTEOSA-N 322.836 3.308 0 40 DGAB CNc1nc(CNC(=O)Nc2cc(Cl)ccc2F)cs1 79062434 VMDHNOQMYIEFLO-UHFFFAOYSA-N 314.773 3.299 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)CCN1C(=O)c1nccn2ccnc12 73793626 YDROYEXKJJWADX-KGLIPLIRSA-N 300.406 3.016 0 40 DGAB C[C@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2o1 95993759 RMIIHJOSLXOPNW-NSHDSACASA-N 317.366 3.371 0 40 DGAB Cn1ccc2ccc(C(=O)Nc3ccc4c(c3)ncn4C)cc21 79481600 AAJRHHWIEMOGFG-UHFFFAOYSA-N 304.353 3.317 0 40 DGAB Cc1ncc(CN(C)[C@@H](C)c2ccc(-n3cncn3)cc2)s1 89730070 YFOXJWMBOKIUBK-LBPRGKRZSA-N 313.430 3.225 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccc(C)cc2)cc1 216239165 PCTJUHURRSGENE-UHFFFAOYSA-N 303.427 3.265 0 40 DGAB Cc1cc(C)nc(N2CCC(Oc3cccc(F)c3)CC2)n1 528083949 SNXQXYABBYTIMN-UHFFFAOYSA-N 301.365 3.280 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)O)cc1Br 70601952 WTUBUWHRWDGTCG-UHFFFAOYSA-N 316.151 3.494 0 40 DGAB CC[C@H](CCO)NC(=O)Nc1ccc(SC(F)F)cc1 77658105 MZUDQJAIIDLOGE-SECBINFHSA-N 304.362 3.284 0 40 DGAB C[C@@H]1Cc2cc(-c3cc(CNC(=O)c4ccco4)no3)ccc2O1 38751443 NVLFUDKWHMRDRS-LLVKDONJSA-N 324.336 3.188 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cccc(C(F)(F)F)c2F)o1 79755171 MCFGIFRVDBTTME-LURJTMIESA-N 318.226 3.454 0 40 DGAB COc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1 44080891 SNQMKPHISYDYHJ-AWEZNQCLSA-N 321.490 3.104 0 40 DGAB Cc1nc2ccccc2nc1N1CCC[C@@H]1Cn1ccnc1C 225598339 LASUFYYKDMZSOK-OAHLLOKOSA-N 307.401 3.112 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(N)c1 40294133 OXOFIVRRWNGEDT-ZANVPECISA-N 311.223 3.340 0 40 DGAB Cc1nc(C(C)C)oc1C(=O)N1CC[C@@H](C)[C@H](n2ccnc2)C1 328925026 NYIKFOLFGZHXMF-TZMCWYRMSA-N 316.405 3.026 0 40 DGAB Cc1noc(C)c1/C=C1/SCCN1C(=O)Cc1ccccc1 225248508 FQKTYPCXHVXHOZ-GZTJUZNOSA-N 314.410 3.408 0 40 DGAB Cc1ccc(N2N[C@](C)(c3ccc(F)cc3)NC2=S)cc1 225347296 HMMOMLZUTFMLBK-MRXNPFEDSA-N 301.390 3.206 0 40 DGAB O=C(c1ccc(-n2cccc2)nc1)N(Cc1cccnc1)C1CC1 84580631 FVHDJEGDZKGDKS-UHFFFAOYSA-N 318.380 3.072 0 40 DGAB CC(C)OCCC[S@@](=O)c1cc2c(cc1Cl)OCCO2 195579602 UGRJFWVJCJUVPJ-HXUWFJFHSA-N 318.822 3.034 0 40 DGAB COC(=O)c1cn(C(=O)Cc2ccc(F)cc2)c2ccccc12 222645253 KPOQEDINUKIXGO-UHFFFAOYSA-N 311.312 3.450 0 40 DGAB CC(C)c1cc(C(=O)Nc2ncccc2Br)on1 81764204 BGQKVHHCXDPBDE-UHFFFAOYSA-N 310.151 3.208 0 40 DGAB CO[C@@H]1CCCCC[C@H]1NC(=O)c1csc([C@@H]2CCCO2)n1 96484885 BZHZBXULXUEXPU-BNOWGMLFSA-N 324.446 3.072 0 40 DGAB O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@@H]1C[C@@H]1c1ccco1 95394498 WGPUDRXWRAXKIW-KSZLIROESA-N 321.376 3.386 0 40 DGAB COc1ccc(C(=O)c2cc(OC)c(OC)c(OC)c2)cc1F 95916928 NVELRJRBKFGVDO-UHFFFAOYSA-N 320.316 3.091 0 40 DGAB CCOC[C@]12CCCO[C@@H]1CCN(Cc1ccc(C)s1)C2 96056796 DTQQCEULVMFKQV-IAGOWNOFSA-N 309.475 3.464 0 40 DGAB COc1ccc(CN2Cc3cc4c(cc3[C@@H](O)C2)CCC4)cc1 95470458 BMPYXBWTVXCMFX-FQEVSTJZSA-N 309.409 3.233 0 40 DGAB CCn1nccc1-c1cncc(C[C@@H]2CCCN(C(C)C)C2)n1 257246701 IVKOXMYUDANZRZ-HNNXBMFYSA-N 313.449 3.023 0 40 DGAB COc1ccc(CC(=O)N2CCC[C@@H]2CCc2ccncc2)cc1 257279985 OJAMOUNCDUZETM-GOSISDBHSA-N 324.424 3.257 0 40 DGAB C[C@@]12CCN(C(=O)c3cc4c(s3)CCC4)[C@@H]1CC[C@@H](O)C2 257239222 HOLKOVKEAHRZPN-VMGRFDJRSA-N 305.443 3.002 0 40 DGAB CC(C)c1ccc2ncnc(N[C@H]3CCN(C4CCC4)C3=O)c2c1 624783861 KLAMRKVSZQPQOY-KRWDZBQOSA-N 324.428 3.319 0 40 DGAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)oc2ccc(F)cc12 53378756 KORBOTRPQDCTKX-DZGCQCFKSA-N 303.333 3.274 0 40 DGAB CCN(Cc1cc(Br)ccc1F)C(=O)C1CC1 58700433 VUWKJWAWLLJZSU-UHFFFAOYSA-N 300.171 3.347 0 40 DGAB CCOc1ccccc1C(=O)N1CCC[C@@H](n2cc(C)cn2)C1 69415584 LBWQKNIOYUTWFM-OAHLLOKOSA-N 313.401 3.068 0 40 DGAB O=C(O)CC[n+]1c(/C=C/Nc2ccccc2)oc2ccccc21 294894 GRMYUDFDCFVVJZ-UHFFFAOYSA-O 309.345 3.278 0 40 DGAB C[C@@H]1Cc2ccc(O)c3c2[C@H](C1)O[C@@]31OCc2c(O)cccc21 1772591543 DUGITLZTNWBCLB-ULMSCDGUSA-N 310.349 3.483 0 40 DGAB COC(=O)[C@@H](C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 11765992 VONPOBUTIKZCEP-SECBINFHSA-N 310.733 3.004 0 40 DGAB CCOc1ccc2oc(C(=O)NC[C@@H]3CCCO3)c(C)c2c1 12869354 KKIJHNYCGXBVKG-ZDUSSCGKSA-N 303.358 3.049 0 40 DGAB Cc1c(CN(Cc2ccc(F)cc2)Cc2cccnc2)cnn1C 13569161 LKRBLADDGFAJAP-UHFFFAOYSA-N 324.403 3.465 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2)c(C)c1 15139450 BMNUITVRKJBWNX-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCN1CCC[C@@H]1CN(Cc1cccs1)C[C@@H]1CCOC1 19527201 UKUKYVWIMRXJCB-JKSUJKDBSA-N 308.491 3.071 0 40 DGAB CC(=O)N1CCCCC[C@@H]2N(Cc3cnc(C)s3)CC[C@@]21C 19713371 GETXKGOPXNGMRR-IRXDYDNUSA-N 321.490 3.207 0 40 DGAB O=C(O)c1ccccc1OCCCN1CCc2ccccc2C1 8731588 XZBOPEHFKXUYDT-UHFFFAOYSA-N 311.381 3.212 0 40 DGAB Fc1cccnc1N1CCN(c2nsc3ccccc23)CC1 1889184580 DYYKCZCOZSTQIO-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB O=C(COc1cccc2c1CCC[C@@H]2O)Nc1ccc(F)cc1 32691488 ZEIYHRHVADZAJB-INIZCTEOSA-N 315.344 3.213 0 40 DGAB COCCn1cnnc1SCc1cccc(C(F)(F)F)c1 32738717 BCMNNTYMMRYHPB-UHFFFAOYSA-N 317.336 3.236 0 40 DGAB CCc1nccn1CC1CN(c2ncc(Cl)cc2Cl)C1 2086882986 MBDMRZXYXWUEGC-UHFFFAOYSA-N 311.216 3.284 0 40 DGAB O=S(=O)(c1cccc2ccccc12)N1CCC(CF)CC1 451770761 PIUJJNIYFJROFI-UHFFFAOYSA-N 307.390 3.210 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 190027 NEILVBLUKLTMBW-UHFFFAOYSA-N 316.382 3.061 0 40 DGAB CCN(CC)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 50080968 KDOPEKNJWHUIOX-KBPBESRZSA-N 305.422 3.174 0 40 DGAB CC(=O)[C@@H](C)n1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 20157866 LNFLZOSTSSPKQG-DTWKUNHWSA-N 304.415 3.041 0 40 DGAB COc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc32)cc1OC 30978188 DQDZRFJMXIDSMH-MRXNPFEDSA-N 311.381 3.463 0 40 DGAB CS[C@@H](C)C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 40523591 YERCMBCOQAWTNE-NSHDSACASA-N 301.415 3.051 0 40 DGAB C[C@@H]1CCCCN1CCCNC(=O)c1cn(C)c2ccccc12 8169808 KOVWJOIGWQSTFB-OAHLLOKOSA-N 313.445 3.173 0 40 DGAB COc1ccc([C@@H]2CCCN2c2nn3cc(C)nc3s2)cc1 29587821 STWZJNFXDJJPPA-AWEZNQCLSA-N 314.414 3.449 0 40 DGAB Cc1ccc([S@@](=O)/C=C\S(=O)(=O)c2ccc(C)cc2)cc1 4962230 GTPJYKULSJJURI-ZCPJJFRWSA-N 320.435 3.356 0 40 DGAB COc1ccc(C(=O)NC(=S)Nc2cccc(Cl)c2)cc1 6411136 PDVIBXWJOCOGHK-UHFFFAOYSA-N 320.801 3.475 0 40 DGAB COc1ccc(C(=O)NCCSCc2ccccc2)cc1 7642399 RKERCDZHTWHDFU-UHFFFAOYSA-N 301.411 3.358 0 40 DGAB CN(C)CCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1 32999471 HNXBADFPDOCWKL-UHFFFAOYSA-N 308.853 3.220 0 40 DGAB CC(=O)c1c(F)cccc1N1CCN(c2ccc(O)cc2)CC1 52712552 MLYSPQNUNSXXCJ-UHFFFAOYSA-N 314.360 3.061 0 40 DGAB COC(=O)Cc1nnc(Nc2cccc(C)c2)c2ccccc12 507400 QLKSKPAGNVCJRL-UHFFFAOYSA-N 307.353 3.397 0 40 DGAB COC(=O)Cc1ccc(NC(=S)NC2CCCCCC2)cc1 541270 UXNUDCIRLPVKSW-UHFFFAOYSA-N 320.458 3.411 0 40 DGAB C[C@@H](NC(=O)C(=O)Nc1ccc(Cl)cc1F)c1ccccc1 9993297 ANTSYZGOFZASBN-SNVBAGLBSA-N 320.751 3.295 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1nccn1C1CC1 103437447 DPVVSBKFYWLVNR-MBNYWOFBSA-N 307.463 3.251 0 40 DGAB C[C@H](C1CC1)N(C)C(=O)c1ccn(-c2ccccc2Cl)n1 69369777 JFYPWGXUAQUMPC-LLVKDONJSA-N 303.793 3.396 0 40 DGAB CCc1cccc(N2CCC(NC(=O)c3cccnc3)CC2)c1 69328104 STMZAHRDQGSDLP-UHFFFAOYSA-N 309.413 3.043 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1nc2c(C)cccc2s1 28577705 KHRUOYXFALORLZ-UHFFFAOYSA-N 323.399 3.010 0 40 DGAB CCOc1ccccc1CNC(=O)COc1cccc(Cl)c1 53164266 AXYWEBCCJJOTBJ-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB COc1ccccc1OCC(=O)Nc1nc2ccccc2s1 986717 ZFHWSHNCLGDAIT-UHFFFAOYSA-N 314.366 3.322 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(OC(F)F)cc1 12475761 KAXUFAZDDONXBH-UHFFFAOYSA-N 303.268 3.417 0 40 DGAB CC(C)[C@@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 23771682 ZNZAMAWWKKMLCO-MRXNPFEDSA-N 321.380 3.050 0 40 DGAB CN(Cc1ccccc1)[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 12486903 HVFKMRJDJBIMNZ-GOSISDBHSA-N 312.388 3.277 0 40 DGAB Brc1ccc(Br)c(Br)n1 42784386 DEFQJQYLAIGWAG-UHFFFAOYSA-N 315.790 3.369 0 40 DGAB in-vitro Cc1nc(C2(NC(=O)C=C(C3CC3)C3CC3)CCCCC2)no1 55099579 YFDXEYXRIGJTTI-UHFFFAOYSA-N 315.417 3.400 0 40 DGAB Cc1nc(C(=O)NC(C)C)nn1-c1cc(Cl)cc(Cl)c1 1385735 GSNWMAIXOYZRBI-UHFFFAOYSA-N 313.188 3.021 0 40 DGAB CSc1ncc(Br)c(C(=O)Nc2ccccc2)n1 27741838 ACFRSSNVPKGAIM-UHFFFAOYSA-N 324.203 3.213 0 40 DGAB CC(C)(CNC(=O)N1CCCOCC1)c1ccccc1Cl 76585115 ZGTHOVWLYHZVAF-UHFFFAOYSA-N 310.825 3.050 0 40 DGAB CCCN(Cc1nnc(-c2ccco2)o1)C(=O)c1ccoc1C 25275460 WHXABMFYNMHGDA-UHFFFAOYSA-N 315.329 3.283 0 40 DGAB Cc1nc2ccccc2n1CCOC(=O)c1cccc2cn[nH]c12 56220900 YVCMFJHFEBVDAP-UHFFFAOYSA-N 320.352 3.078 0 40 DGAB CSc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20795924 HWWDQRGIBQPAPL-GFCCVEGCSA-N 324.409 3.067 0 40 DGAB O=C1NC2(CCCCC2)C(=O)N1Cc1nc2ccccc2s1 3280192 BLEUYAXKCMMELP-UHFFFAOYSA-N 315.398 3.051 0 40 DGAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2cccc(F)c2)C1=O 12600684 CGAGBKAVWIOSAW-GOSISDBHSA-N 312.344 3.183 0 40 DGAB Cc1nc(CCNC(=O)c2oc3ccccc3c2C)cs1 27991653 ZYMUBNYDXDWHMD-UHFFFAOYSA-N 300.383 3.479 0 40 DGAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(Cl)cc1 3388525 NMSRHVPBWTYJHP-BQYQJAHWSA-N 305.717 3.128 0 40 DGAB CCc1nc(CCNC(=O)/C=C/c2csc(C)n2)sc1C 69490537 GTHDGOJSFGUXJR-AATRIKPKSA-N 321.471 3.151 0 40 DGAB Cc1ccccc1CN1CCN(C(=O)NCc2ccccc2)CC1 12881616 MCYRJLLWNFEEJV-UHFFFAOYSA-N 323.440 3.022 0 40 DGAB Cc1nnc(NC(=O)CCc2ncc(-c3ccccc3)o2)s1 12920642 OLJUKLSNQHVQSI-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccncc2)cc1OC 13013085 UBZMSXADYWGSPE-OAHLLOKOSA-N 312.369 3.076 0 40 DGAB C[C@H](O)CN1CCC(CN[C@H](C)c2cccc(Cl)c2)CC1 69511782 GJCOWDDVTYWOMP-UONOGXRCSA-N 310.869 3.083 0 40 DGAB O=C(/C=C/c1cccc(C(F)(F)F)c1)OCC(=O)c1ccc[nH]1 6251105 KBDZKPWKVMONRR-VOTSOKGWSA-N 323.270 3.473 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccc(O)cc1 8726672 VWQBJYJUUZSDEU-MEBBXXQBSA-N 320.776 3.289 0 40 DGAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1c(F)cccc1F 8708862 BCICJCFQXXXWBS-SECBINFHSA-N 322.277 3.178 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cc2ccccc2oc1=O 67091885 RKSAUQOFHVWGEW-GDBMZVCRSA-N 323.323 3.218 0 40 DGAB CCCCN(C[C@@H](O)COCc1ccccc1OC)[C@@H](C)CC 6936209 UPRFOWFFAUFBCI-FUHWJXTLSA-N 323.477 3.473 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1 7032370 NFQQLGRZHMNYBH-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB O=C(CSCc1cccs1)NCc1ccc2c(c1)OCO2 7475260 LFRYUOPHMHNELT-UHFFFAOYSA-N 321.423 3.026 0 40 DGAB O=C(NC1CC1)c1cc(-c2ccccc2)nn1-c1ccccc1 7814215 QVNFXPGVUQLMFX-UHFFFAOYSA-N 303.365 3.432 0 40 DGAB COc1cc(C(=O)Nc2ccc(C)cc2C)cc2c1OCCO2 7915045 BBEDCHKEIAQMOR-UHFFFAOYSA-N 313.353 3.336 0 40 DGAB COc1cc(C)ccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 9722718 VSEMIRNCBLGSBP-CYBMUJFWSA-N 317.360 3.226 0 40 DGAB CCCOc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OC 9379382 NTCBUTONBLLGGP-KRWDZBQOSA-N 312.369 3.338 0 40 DGAB Cc1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1 20134550 MUFVNFPHUBEQPY-UHFFFAOYSA-N 303.163 3.074 0 40 DGAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1C)c1ccccn1 83693750 VEADWOXUWLWZLV-CABCVRRESA-N 324.428 3.193 0 40 DGAB Cc1nc(CNC(=O)N[C@@H](c2ccccn2)C(C)C)sc1C 96440640 NTOUQNCZAZTYSP-OAHLLOKOSA-N 318.446 3.351 0 40 DGAB Fc1ccc(COC2CCN(CC3=CCCOC3)CC2)cc1 97051461 KVKBKCYOKVYLPF-UHFFFAOYSA-N 305.393 3.153 0 40 DGAB CC(C)c1nnc(NCc2csc(-c3ccccn3)n2)o1 97045376 BBVAGUTUEKUUHZ-UHFFFAOYSA-N 301.375 3.324 0 40 DGAB C[C@H](CO)SCc1nc(-c2cccc(C(F)(F)F)c2)no1 79102120 ZDANSKVUVNLVLM-MRVPVSSYSA-N 318.320 3.369 0 40 DGAB O=C(Nc1c(Cl)ccc2nsnc12)c1cncc(F)c1 97231503 CEOIMRJEXQOOBK-UHFFFAOYSA-N 308.725 3.131 0 40 DGAB CC1(C)CCC(NC(=O)Nc2cnn(CC(F)F)c2)CC1 72547416 HEHKDLKAIUESMG-UHFFFAOYSA-N 300.353 3.239 0 40 DGAB COc1ccnc(C(=O)N2CCC(c3ccccc3C)CC2)c1 95397779 RBKBPMFGEKAPFT-UHFFFAOYSA-N 310.397 3.418 0 40 DGAB Cc1cc(C(=O)N2CCC(Oc3ccccc3Cl)CC2)no1 95436389 YKBMUJGCUFYGGR-UHFFFAOYSA-N 320.776 3.320 0 40 DGAB O=C(CC1(n2cccc2)CCCCC1)NCC1CCOCC1 95474019 IGXXJVLBDDFZBB-UHFFFAOYSA-N 304.434 3.080 0 40 DGAB C[C@@H]1SCCN(C(=O)N[C@@H](c2nccs2)C2CC2)[C@@H]1C 74709636 XJCVAUHPFZLLDG-JFGNBEQYSA-N 311.476 3.130 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@@H]1CCCC[C@H]1C(F)(F)F 89774553 XMOKYXXKIQVHQO-ZIAGYGMSSA-N 315.335 3.164 0 40 DGAB CC1CCN(CCCCN=c2ccnc(-c3ccccc3)[nH]2)CC1 511378182 MQDHINHOYZZVPN-UHFFFAOYSA-N 324.472 3.490 0 40 DGAB C[C@H](NC(=O)c1cccnc1N(C)C)c1ccc(Cl)cc1 31696051 BDYKXAWURBHLEH-NSHDSACASA-N 303.793 3.292 0 40 DGAB O=C(c1nccs1)C1CCN(C(=O)C2CCCCC2)CC1 72334848 WDBOHYIYSYLUSC-UHFFFAOYSA-N 306.431 3.145 0 40 DGAB CN(Cc1cccnc1)C(=O)N[C@H](C1CCCC1)C(F)(F)F 127612683 XKJRQOVJWBCDPF-CYBMUJFWSA-N 315.339 3.344 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1C 30751591 WMVGMAAVWGLBKZ-CQSZACIVSA-N 319.426 3.352 0 40 DGAB COC(=O)Cc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 217772336 UTIJYTGFDNFMHL-UHFFFAOYSA-N 305.374 3.090 0 40 DGAB Cc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 72389892 KNOHCZSQPQSQOX-QGZVFWFLSA-N 320.396 3.430 0 40 DGAB C[C@H](CCNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 41341924 JGMYMWJGOKBFTN-CQSZACIVSA-N 321.417 3.439 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1cccc(Oc2cccnn2)c1 81740292 SASLBSXJIGEWCN-UHFFFAOYSA-N 323.356 3.046 0 40 DGAB O=C(Cc1cccnc1)NCc1cccnc1-c1cccs1 225761545 ANYMTJSFMUROGP-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB COc1ccc(CN2CCN(C[C@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 224087423 XSVHECDLKBVVBE-IPMKNSEASA-N 312.457 3.025 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C 222771172 RSXHJKUBJQPHNN-LSDHHAIUSA-N 300.431 3.019 0 40 DGAB C[C@]1(C(=O)NCc2cccc(F)c2)CC(c2ccccc2)=NO1 96192548 XMVXTVYECRWTQC-GOSISDBHSA-N 312.344 3.025 0 40 DGAB COc1ccnc(CN2CCC[C@H]2c2cccc(C)n2)c1OC 190723795 JXKJTHLGBMXIOF-INIZCTEOSA-N 313.401 3.139 0 40 DGAB O=C(NCc1nccn1Cc1ccccc1)Nc1cccc(F)c1 96433641 CDZZTLNHSKVZCV-UHFFFAOYSA-N 324.359 3.392 0 40 DGAB Cc1cnc([C@H](NC(=O)N2C[C@H]3CCC[C@@H]3C2)C2CC2)s1 96462411 YQXWVECDFMICPP-MGPQQGTHSA-N 305.447 3.344 0 40 DGAB CC[C@@](Cl)([C@H](O)c1ccc(Cl)cc1)S(=O)(=O)CC 96520699 GOYUFTAHCUDMCK-NEPJUHHUSA-N 311.230 3.153 0 40 DGAB O=C(c1ccc[nH]1)N1CCN(CC(F)(F)F)c2ccccc21 96445576 HPLXMSAOEZQLLF-UHFFFAOYSA-N 309.291 3.044 0 40 DGAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccco3)C[C@@H]12 96058439 NAGKLTBGSVUZON-WOJBJXKFSA-N 324.424 3.044 0 40 DGAB c1cncc([C@@H]2COC3(CCN(Cc4nccs4)CC3)C2)c1 96073003 OKMFAUSQYYQAAJ-HNNXBMFYSA-N 315.442 3.077 0 40 DGAB COC[C@@H]1CN(C)CC12CCN(Cc1ccccc1Cl)CC2 247720541 ADMXNQJNAULPTD-INIZCTEOSA-N 322.880 3.130 0 40 DGAB CCC[C@]1(COC)CCCN1C(=O)c1cnc(C(C)(C)C)nc1 585083180 CHSITVFIZYDJLW-GOSISDBHSA-N 319.449 3.195 0 40 DGAB C[C@H](CC(=O)N[C@H](C)c1nccn1C)Cc1cccc(F)c1 585113840 AJLAADSPZDUEIZ-QWHCGFSZSA-N 303.381 3.005 0 40 DGAB CN(C(=O)c1cc2c(s1)CCCC2)c1ccc(C(N)=O)cc1 55979323 VLGJKNZCCGLGBB-UHFFFAOYSA-N 314.410 3.002 0 40 DGAB O=C(Cc1ccccc1)N1CCC(Cc2nccs2)CC1 72363839 HJCMLTLJKVDTBW-UHFFFAOYSA-N 300.427 3.167 0 40 DGAB CN(C(=O)NCc1cccnc1OC1CCCC1)C1CCC1 73626113 FGPMRLHSHROGEP-UHFFFAOYSA-N 303.406 3.097 0 40 DGAB Cc1cc(CNC(=O)N[C@H](C)C2CCOCC2)cc(C)c1F 95416817 MXEBRRDIJQFNMH-CYBMUJFWSA-N 308.397 3.057 0 40 DGAB CCCOc1c(Br)cc(Br)cc1CO 389287711 WYDKWAJLKSKLCO-UHFFFAOYSA-N 324.012 3.493 0 40 DGAB Cc1ccc(OCCNC(=O)COc2ccc(C)c(C)c2)cc1 5814525 DBQUBNUKFPGPJI-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB O=C(O)/C=C\C(=O)Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2 17162364 NTGXJXGENPKNAO-WAYWQWQTSA-N 313.740 3.491 0 40 DGAB Cc1cc([C@@H]2CCCCCN2C(=O)c2c(Cl)cnn2C)on1 19120117 BIWOTPQMFDHJKD-LBPRGKRZSA-N 322.796 3.127 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169685375 FRINMYWKWPHCRN-BLONOQDTSA-N 323.392 3.033 0 40 DGAB O=C(Cc1ccc(NC(=O)C2CCCCC2)cc1)NC1CC1 13715837 YHIVWQUHVYUYBT-UHFFFAOYSA-N 300.402 3.027 0 40 DGAB COc1ccc(OC)c(NC(=O)COc2ccc(Cl)cc2)c1 128386 IYOVWSDJJLRFPK-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 278466 ASSNTODWRYJKBP-AWEZNQCLSA-N 321.735 3.425 0 40 DGAB CCCC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 11451186 QWYJIUGLUPNKAQ-UHFFFAOYSA-N 315.398 3.433 0 40 DGAB CC(C)CC1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 356224 FAYMQIOQBIXTRB-CQSZACIVSA-N 314.307 3.186 0 40 DGAB Cc1ccc(NC(=O)c2cc(-n3cnnc3)ccc2Cl)cc1 360419 AGRIAEPIIWOJAO-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COc1ccc([C@H](Cc2ccc(Cl)cc2)NCCO)cc1 1666275 ZRBBTNAWVCKGTC-KRWDZBQOSA-N 305.805 3.214 0 40 DGAB CN(C)c1ccc(NC(=O)Cc2ccc3c(c2)CCCC3)cn1 21143673 WZBPYYJFIFEBHW-UHFFFAOYSA-N 309.413 3.208 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104750 SOQWQZZNPGBTQR-FTMZQNTESA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro O=C(CSc1nnc(C2CC2)o1)NCCC1=CCCCC1 32745199 INXFQDFVKMFCOP-UHFFFAOYSA-N 307.419 3.046 0 40 DGAB COc1ccc(CC(=O)NCCC2=CCCCC2)cc1OC 6247278 UGSRIAJDBDKZKF-UHFFFAOYSA-N 303.402 3.253 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 100793593 SYDQUWUBPNHBMA-JTAWPXLSSA-N 311.381 3.011 0 40 DGAB CCSc1nnc(NC(=O)CCc2ccccc2F)s1 8269140 ZVQHZKGLGKHABL-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB COc1cccc2c(C)cc(SCC(=O)N3CCCC3)nc12 11907543 AZGWPSRBNUIITO-UHFFFAOYSA-N 316.426 3.266 0 40 DGAB c1ccc([C@H]2c3cccn3CCN2Cc2nc(C3CC3)no2)cc1 46515603 GGQQSWKHUCTONJ-SFHVURJKSA-N 320.396 3.354 0 40 DGAB O=C(Nc1ccc2nc[nH]c(=O)c2c1)c1cc2ccccc2s1 12360318 QIAXFVJHKGLLDV-UHFFFAOYSA-N 321.361 3.390 0 40 DGAB CC[C@@H](CO)NCc1ccccc1OCc1ccc(F)cc1 8326399 YQSQFDLICQVDOZ-KRWDZBQOSA-N 303.377 3.265 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)no1 43013467 XDSODZZCEVWLHH-AWEZNQCLSA-N 319.430 3.469 0 40 DGAB Cc1ccccc1NC(=S)NC1C[C@H]2CC[C@H](C1)N2C1CC1 100422919 JOXUZUWMIXVXQJ-HZPDHXFCSA-N 315.486 3.439 0 40 DGAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)cc1C 102073056 BCPLDXUYTFDQDJ-KPLDXPABSA-N 311.381 3.011 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@@H](O)c1ccccc1 57158310 JJFLTGPCJQQPJB-OAHLLOKOSA-N 323.314 3.098 0 40 DGAB COC(=O)c1cn(CC(=O)Oc2cccc(C)c2)c2ccccc12 26360426 AYDPRFLHCHMYCX-UHFFFAOYSA-N 323.348 3.342 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 57406089 QOUJAPCCUKDKNR-KBPBESRZSA-N 310.397 3.473 0 40 DGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)[C@@H]1CC=CCC1 12543150 RKIARDHHKXVJKJ-CYBMUJFWSA-N 320.820 3.471 0 40 DGAB C[C@H]1CN(C(=O)CSc2nc3ccccc3s2)C[C@H](C)O1 3291726 AQGNCEWQJDVUOV-QWRGUYRKSA-N 322.455 3.024 0 40 DGAB CC(C)N(C(=O)COc1ncnc2ccccc12)c1ccccc1 3258691 KDNQXWSOUQVJKN-UHFFFAOYSA-N 321.380 3.450 0 40 DGAB O=S(=O)(NC(C1CC1)C1CC1)c1ccc2ccccc2c1 24474690 MPCHPOQIMKBVJL-UHFFFAOYSA-N 301.411 3.307 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 113959677 RBHKELQFWKAADQ-CHWSQXEVSA-N 317.360 3.479 0 40 DGAB O=C(Nc1ccc2nc([C@H]3CCCO3)[nH]c2c1)c1cccnc1 44892131 PJNYSPVDMMRRQW-OAHLLOKOSA-N 308.341 3.062 0 40 DGAB Cc1cc(CNS(=O)(=O)c2ccc3c(c2)CCC3)ccc1F 10676116 GRGSOUUHHHYYBZ-UHFFFAOYSA-N 319.401 3.101 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCc3ccccc32)cc1C 10752412 OQZDBCSYTXKMPV-QGZVFWFLSA-N 301.411 3.269 0 40 DGAB COc1ccc(OC)c2sc(NCc3ccncc3)nc12 36657592 GNBKJLXSECIDNK-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB COc1ccc(-c2noc(COC(=O)c3ccc(C)cc3)n2)cc1 8492542 JBSFPOVGEOCWAB-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB COc1ccc(NC(=O)[C@@H](Sc2nncs2)C(C)C)cc1 12936041 XJCUGWWQRBGKIA-LBPRGKRZSA-N 323.443 3.302 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12997636 XEDXWZNCWLLKQL-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-n2cccc2)c(F)c1 69625969 OIAATPQPPNHMOE-CQSZACIVSA-N 316.376 3.115 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)OCC1CCCCC1 39192723 IEUMMPXIGXGGPY-OAHLLOKOSA-N 307.390 3.158 0 40 DGAB Cc1c(C)n(C)c2ccc(C(=O)NCCc3ccc(O)cc3)cc12 27972738 FYGJOQHNTALOCD-UHFFFAOYSA-N 322.408 3.473 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(F)cc1F 7402458 XAXBMDGCDZIHHH-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1nc(CNC(=O)COc2cc(C)c(Cl)c(C)c2)cs1 15832236 UKSGRBZNUSVWOH-UHFFFAOYSA-N 324.833 3.417 0 40 DGAB CCOCCNC(=O)Nc1ccc(OCC)cc1C(F)(F)F 68316781 ZSYQWIDNSFLJNC-UHFFFAOYSA-N 320.311 3.262 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(OC)c2)c1 9051650 GUEILKDAHBYJLW-UHFFFAOYSA-N 313.353 3.351 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N[C@@H]1CCCC[C@H]1C 68962518 QKTWLKCUOBOGPG-UKRRQHHQSA-N 317.433 3.060 0 40 DGAB Cc1cc(-n2c(C)cc(C(=O)CN3CCCCC3)c2C)no1 8118922 XCYPYEQBKCCRLA-UHFFFAOYSA-N 301.390 3.059 0 40 DGAB Cc1ccc(N2C(=O)N(CCOc3ccccc3)C(=O)[C@@H]2C)cc1 9448439 VBJBGSOILOUXLR-HNNXBMFYSA-N 324.380 3.231 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(Cl)c1/C=C/C(=O)N1CCC1 9498313 IULKCQASXPKHTC-BQYQJAHWSA-N 319.767 3.219 0 40 DGAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@@H]1C[C@@H]1c1ccco1 89826419 XNGURNIJVALTKF-ARFHVFGLSA-N 321.380 3.206 0 40 DGAB COc1cc(CNC(=O)c2ccc(C)o2)ccc1OC(F)F 9835478 UCBWTOSAGMCKTO-UHFFFAOYSA-N 311.284 3.128 0 40 DGAB Cc1c(NC(=O)N[C@H](C)[C@H]2CCCO2)cccc1OC(F)F 71854985 WSCPRMZPYZAUNV-ZWNOBZJWSA-N 314.332 3.285 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)n1 71865466 UKYPKUGMYGDHJJ-IAGOWNOFSA-N 301.434 3.237 0 40 DGAB C[C@@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 71818772 YPQKSPXEBRMEEY-MLGOLLRUSA-N 302.349 3.285 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNC[C@H](O)c1ccccc1 71819513 RXIXAJJRPDXTPL-AWEZNQCLSA-N 307.825 3.020 0 40 DGAB Cc1ccc(C[C@H](NC(=O)c2cccnc2)c2ccccn2)cc1 71908754 AJKIWKMCTKKBMA-IBGZPJMESA-N 317.392 3.499 0 40 DGAB c1cnn(Cc2ccc(N[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cc2)c1 97138968 DTJGJBKMSZRHBQ-KSZLIROESA-N 309.413 3.301 0 40 DGAB C[C@@H](CNC(=O)N1CCC(OCC2CC2)CC1)c1cccs1 76088537 BYLYWTSPIWIUHI-ZDUSSCGKSA-N 322.474 3.452 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)no1 76043087 NLNVPAPKLOHBSY-MRXNPFEDSA-N 311.385 3.234 0 40 DGAB Cc1ccc(CCN(C[C@@H]2CCCO2)C(=O)c2cccnc2)cc1 76067436 ZUHACZKDAKOHJJ-IBGZPJMESA-N 324.424 3.254 0 40 DGAB CC(C)Cc1nc2ccc(NC(=O)c3n[nH]c4c3CCC4)cc2[nH]1 95476295 DESKAGQMLFNXSJ-UHFFFAOYSA-N 323.400 3.226 0 40 DGAB O=C(Nc1cccc(NC(=O)C2CCCCC2)c1)c1cnc[nH]1 79022649 YZMFLWJBBNNTAQ-UHFFFAOYSA-N 312.373 3.181 0 40 DGAB Cc1nc(NC(=O)c2scnc2C)ccc1Br 74240357 PMDVARAZQFCXRK-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB Cc1nc(C(C)C)sc1[C@H](C)N(C)C(=O)c1csnn1 89558928 XCWSHISLEKOYHV-VIFPVBQESA-N 310.448 3.260 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1C 27929314 ZKNXXGSIEZRHQV-UHFFFAOYSA-N 324.428 3.202 0 40 DGAB O=C(N[C@@H]1CCN2CCCC[C@H]12)c1cc2ccc(Cl)cc2[nH]1 89780912 KXGIZQGQNHQYEE-CZUORRHYSA-N 317.820 3.178 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCc2ccc(F)cc2)c1 22700044 LIFOTLGQKBJJQQ-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB COc1ccc(CNC(=O)Cc2cccc(Cl)c2)cc1OC 67788608 NBVNJDOUWRXXCZ-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 32648165 DIINDIMHQGOWPW-LLVKDONJSA-N 307.781 3.192 0 40 DGAB O=C(N[C@H]1CCc2ccc(O)cc21)c1nsc2ccccc12 1557553164 CRJFWJZNMDISNV-AWEZNQCLSA-N 310.378 3.419 0 40 DGAB c1cc(CN2CCCCC2)cc(-c2noc(-c3cnccn3)n2)c1 78774534 SWFRXQBGSZXYTC-UHFFFAOYSA-N 321.384 3.180 0 40 DGAB CC(C)OCCCNC(=O)c1cc(-c2ccc(F)cc2)on1 123178568 AMNVCPSWLBXWQC-UHFFFAOYSA-N 306.337 3.026 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1cccc(F)c1 32930624 YTSXBEUIHBOAGV-UHFFFAOYSA-N 314.238 3.414 0 40 DGAB COc1ccc2c(CC(=O)N3CCn4cccc4[C@H]3C)coc2c1 30796580 ZTOLWAUUGSLJMC-CYBMUJFWSA-N 324.380 3.389 0 40 DGAB Cc1cc(-c2cnc(NCc3ccccn3)nc2C2CC2)on1 72340359 KWZDVOQTOFXEKO-UHFFFAOYSA-N 307.357 3.325 0 40 DGAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@@H](C(=O)O)C2)cc1 561493062 VBIFTMRVRUFJJL-CQSZACIVSA-N 324.380 3.285 0 40 DGAB CC(C)c1noc(C2CCN(C(=O)NC3CCCCC3)CC2)n1 41121957 PVACRIRAFDIKHO-UHFFFAOYSA-N 320.437 3.415 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCC1 46450917 SEKHODHBZYWZRO-GFCCVEGCSA-N 311.422 3.385 0 40 DGAB O=C(Cc1ccc(F)c(F)c1)NCCCCc1nccs1 87273827 AMQHUJVCJVXDGH-UHFFFAOYSA-N 310.369 3.103 0 40 DGAB O=C(NC[C@@H]1COc2ccccc21)c1ccc(-n2cccc2)cc1 74911627 DKDKVFGVRQEKFF-MRXNPFEDSA-N 318.376 3.383 0 40 DGAB Cc1ncc(CNC(=O)Nc2cc(Cl)ccc2N(C)C)s1 96413422 PGALBVHPAPVZSI-UHFFFAOYSA-N 324.837 3.493 0 40 DGAB CC(C)(C)CC(=O)N1CCC2(CC1)CNCc1ccccc12 96156920 FHNZQMVZIOPFGK-UHFFFAOYSA-N 300.446 3.086 0 40 DGAB Cc1nocc1CNC(=O)Nc1cccc(Cl)c1N(C)C 583651219 JBFMKXOZKLNGHY-UHFFFAOYSA-N 308.769 3.024 0 40 DGAB CCN1CCC[C@@H]1CN(Cc1cccs1)C[C@H]1CCOC1 249697134 UKUKYVWIMRXJCB-HZPDHXFCSA-N 308.491 3.071 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257319426 VSLZRIQOLGICNZ-KRWDZBQOSA-N 309.413 3.227 0 40 DGAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccc(F)cc1 253472120 JQIUQTLEJXBCHI-UHFFFAOYSA-N 309.344 3.119 0 40 DGAB Cc1oncc1C(=O)N(Cc1cccs1)Cc1cccn1C 96025732 AQOIMEMRTUBJNW-UHFFFAOYSA-N 315.398 3.226 0 40 DGAB O=C(/C=C/c1ccco1)NC1(c2cccs2)CCOCC1 390829012 VXILIHCPKMMBLO-AATRIKPKSA-N 303.383 3.176 0 40 DGAB Cc1cc(C)cc(C(=O)N2CCC3(CC2)CC(N(C)C)C3)c1 585103832 RWRMSCGTWFWABW-UHFFFAOYSA-N 300.446 3.250 0 40 DGAB CC(C)(C)c1nc(N2CCC(CCCn3ccnc3)CC2)no1 584869208 WLRXDZQJERJKTA-UHFFFAOYSA-N 317.437 3.260 0 40 DGAB Cc1csc(SCC(=O)Nc2cc(C(C)(C)C)nn2C)n1 48355143 VULQOIAMWRIYCK-UHFFFAOYSA-N 324.475 3.213 0 40 DGAB Cc1cccc(NC(=O)NCCCNc2ncccn2)c1Cl 1526809785 UYCAEKBSKWFMFT-UHFFFAOYSA-N 319.796 3.062 0 40 DGAB CC(C)c1ccc(C[S@](=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 69460432 FFAVBKROQNGAJB-YEJXKQKISA-N 309.475 3.362 0 40 DGAB Cc1c(C(=O)C(=O)Nc2nccs2)sc2ccccc12 69508307 VODMBWIIIJIFMW-UHFFFAOYSA-N 302.380 3.488 0 40 DGAB FC(F)(Br)[C@@](F)(Cl)I 72265609 RAVFYHBLDJHLGL-REOHCLBHSA-N 323.277 3.271 0 40 DGAB CC(C)[C@@H](NC(=O)CCSc1ccccn1)c1ccccn1 97013780 DWNJLXGSVJKRPJ-QGZVFWFLSA-N 315.442 3.472 0 40 DGAB CC[C@H]1C[C@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C1(C)C 5247791 MSTJZJHELXZLQI-QXFUBDJGSA-N 316.656 3.254 0 40 DGAB CC[C@H](CN1CCCCC1)NC(=O)C1(c2ccc(F)cc2)CC1 12239827 QSPPFDFBIDWRDF-QGZVFWFLSA-N 318.436 3.238 0 40 DGAB C[C@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1 12926344 OLBCCZAOKHBIQG-AWEZNQCLSA-N 311.385 3.076 0 40 DGAB Cc1cc(NC(=O)Cc2cccs2)n(Cc2ccccc2)n1 13701460 XZHWPOQAYGEWNG-UHFFFAOYSA-N 311.410 3.483 0 40 DGAB CCc1cccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)c1 14107233 MLAOFPVZVLTWSJ-GFCCVEGCSA-N 310.353 3.357 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)C[C@@H](C)O1 15553965 OMGSMHBQTAZILW-BETUJISGSA-N 321.376 3.147 0 40 DGAB COc1ccccc1CCNC(=O)c1ccc(Cl)cc1F 16494763 STBIDPLFNIJLME-UHFFFAOYSA-N 307.752 3.460 0 40 DGAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2Cc1ccc(Cl)c(F)c1 19713826 ZPLWPRHLFZCBQF-JKSUJKDBSA-N 324.827 3.454 0 40 DGAB O=C(CSc1ccc(-c2ccco2)nn1)Nc1ccccc1 4357731 CNYWYYPTPREXIJ-UHFFFAOYSA-N 311.366 3.467 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)cc1 5153394 QQRFDKCDOAIHBB-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB Fc1ccc(CN2CCO[C@H]3[C@@H](OCC4CC4)CC[C@@H]32)cc1F 2055746281 JWAMBVBNTCWBQP-OKZBNKHCSA-N 323.383 3.123 0 40 DGAB CO[C@@H](CCSC)CNC(=O)Cc1cccc2ccccc12 1775967875 FLFDNFXBZWOVNW-INIZCTEOSA-N 317.454 3.267 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1ccc2nsnc2c1 36709755 GJCYCZNQCOSHKX-CQSZACIVSA-N 309.394 3.499 0 40 DGAB O=C(NC[C@]1(O)C=CCCC1)Nc1ccccc1C(F)(F)F 585146652 XJDVUCTZBUXBFW-AWEZNQCLSA-N 314.307 3.298 0 40 DGAB CCCCCC(=O)NC(=S)Nc1cc(C(=O)O)ccc1C 5859801 BPTCJRCZHYMRFL-UHFFFAOYSA-N 308.403 3.087 0 40 DGAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(F)cc1 13892843 FVHQBQRVARMWKU-UZYVYHOESA-N 324.311 3.081 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@@H](c2ccccc2)C1(F)F 3175576 KKLRXQFKSQWUAH-AWEZNQCLSA-N 303.264 3.139 0 40 DGAB O=C(NCc1ccc(F)cc1)N1CCC[C@@H](C(F)(F)F)C1 30979985 XSCAIVDLESXGSL-LLVKDONJSA-N 304.287 3.310 0 40 DGAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1=O 1472495 BJQYFVJUJMCXFN-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB O=C1c2cc3c(cc2CC[C@H]1c1ccc2c(c1)OCO2)OCO3 1659839 WDSBEFNHNUOXFU-LBPRGKRZSA-N 310.305 3.057 0 40 DGAB O=C(Nc1ccccc1)OCCNC(=O)Oc1ccccc1 3152473 DTALXAJFOYYXHN-UHFFFAOYSA-N 300.314 3.024 0 40 DGAB O=C(c1cnccn1)N1CCc2sccc2[C@H]1c1ccccc1 32787786 ORAFVEIUZYXPNM-QGZVFWFLSA-N 321.405 3.326 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1cccnc1 4910124 NTQBRXFXOAYKEK-INIZCTEOSA-N 308.341 3.020 0 40 DGAB O=C(O)c1ccccc1C(=O)N1CCC(c2ccccc2)CC1 59483642 BJMZTYMMLRPFQD-UHFFFAOYSA-N 309.365 3.405 0 40 DGAB Cc1ccc(OCC(=O)Nc2onc3c2CCCC3)cc1C 11914318 VINSGJGPZQEZCG-UHFFFAOYSA-N 300.358 3.188 0 40 DGAB CN(CCc1ccncc1)C(=O)NCC1(C)Cc2ccccc2C1 91935866 ZVPTXICLUXRAPB-UHFFFAOYSA-N 323.440 3.071 0 40 DGAB S=C(Nc1cnn(Cc2ccccc2Cl)c1)n1cccn1 2802643 UFDKYQLBQADCEB-UHFFFAOYSA-N 317.805 3.026 0 40 DGAB CC(C)N(CCNC(=O)c1csc2c1CCCC2)C(C)C 22623006 VEIOUWAFUIDHSF-UHFFFAOYSA-N 308.491 3.476 0 40 DGAB Cc1noc(C(C)C)c1C(=O)Nc1ccc(N2CCCC2)nc1 22702228 JNEBQKPFJNWSPK-UHFFFAOYSA-N 314.389 3.354 0 40 DGAB O=C(O)c1ccc(Cl)c(NC(=O)C(Cl)(Cl)Cl)c1 20136917 PMZGGUKZOLLIPY-UHFFFAOYSA-N 316.955 3.347 0 40 DGAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cn4)C[C@@H]1CC[C@]23C 100983356 ZGARUBWYPAYASO-LTTZEQNMSA-N 306.793 3.269 0 40 DGAB CC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 54564222 YRUKMQRTFNRNGH-UHFFFAOYSA-N 301.365 3.028 0 40 DGAB C[C@H](c1ccccn1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 101682089 FHGVPLURQHUYFF-ZIAGYGMSSA-N 305.422 3.132 0 40 DGAB Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Cl 102599839 MZLJWZPEGTVBHN-HJPIBITLSA-N 323.868 3.484 0 40 DGAB C[C@H](C(=O)NC1CCCC1)N(C)Cc1c(F)cccc1Cl 21580748 FYCPFDPYSASGKU-LLVKDONJSA-N 312.816 3.358 0 40 DGAB CCC[C@@H](C)C(=O)Nc1cccc(NC(=O)OCCOC)c1 58162781 ZBJCYDFRPKCJOE-GFCCVEGCSA-N 308.378 3.256 0 40 DGAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)c1ccco1 58201087 YAJYMVBQGNAPRN-UHFFFAOYSA-N 317.295 3.363 0 40 DGAB COc1ccccc1-c1nnn(Cc2c(F)cccc2Cl)n1 10337397 MNJIRWHQUPRZBF-UHFFFAOYSA-N 318.739 3.190 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1ccccc1 58367550 HEAGNRZOLKDXBA-CQSZACIVSA-N 309.287 3.169 0 40 DGAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3cccnc3)o2)cc1 28200415 QILKNHUUWZQDPJ-UHFFFAOYSA-N 320.348 3.474 0 40 DGAB O=C(OCc1cccc(C(F)(F)F)c1)c1ccc(O)cc1O 3528986 NYSNUNYPBANBDF-UHFFFAOYSA-N 312.243 3.474 0 40 DGAB O=C(OCC(=O)N1CCc2ccccc21)c1ccc(Cl)cc1 3512327 BGEKUVVIKDLOCD-UHFFFAOYSA-N 315.756 3.086 0 40 DGAB COc1ccc(CNC(=O)C(C)(C)Oc2ccc(F)cc2)cc1 12998928 QDAHKTCXKYKEGH-UHFFFAOYSA-N 317.360 3.308 0 40 DGAB CC(C)c1cccc(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c1 12924497 SFWIUMIKPZKIQH-PBHICJAKSA-N 318.442 3.203 0 40 DGAB O=C(CCN1CCC[C@@H]1c1ccc[nH]1)Nc1ccccc1F 69490565 BSEAVXXIVKTVCP-MRXNPFEDSA-N 301.365 3.320 0 40 DGAB N[C@H]1CC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 91548954 DFAGGRNUCBTZOP-OLZOCXBDSA-N 320.483 3.466 0 40 DGAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)NC1CCCC1 69633124 VDKITSZMTCYAKZ-UHFFFAOYSA-N 317.364 3.265 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69660150 KRSRNRHRPQRGQY-KRWDZBQOSA-N 322.412 3.092 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)N1CCCC[C@@H]1C1OCCO1 69619949 TXQIJEPSIXRGCF-CQSZACIVSA-N 324.808 3.408 0 40 DGAB Cc1cc(C(=O)Nc2ccc(C(=O)c3ccccc3)cc2)no1 18194223 RJRYJDCNZWEYBF-UHFFFAOYSA-N 306.321 3.466 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Oc1ccc(C(N)=O)cc1 6290234 FHOXEVNMWMWRPC-LBPRGKRZSA-N 322.364 3.225 0 40 DGAB O=S(=O)(c1ccc(F)cc1F)N1CCCc2ccccc21 13947847 YGUQINRHKKDFTA-UHFFFAOYSA-N 309.337 3.106 0 40 DGAB O=C(Nc1cccc(C(F)F)c1)N[C@@H]1c2ccccc2C[C@@H]1O 65595346 OLQIXIUMIHQGPW-LSDHHAIUSA-N 318.323 3.404 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)on1 8757310 HHGCAXORJQYDNI-CQSZACIVSA-N 311.385 3.099 0 40 DGAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4571981 RLQHSWGGLQNMAY-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB O=C(/C=C/c1c(F)cccc1F)N1CCC(n2ccnc2)CC1 65626233 SFJORJHQZOLPEZ-SNAWJCMRSA-N 317.339 3.038 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccccc2SCC(N)=O)c1 6879493 LGPLJSHABJBREF-UHFFFAOYSA-N 314.410 3.133 0 40 DGAB Fc1ccc(-c2cc(-c3nc(-c4ccccn4)no3)n[nH]2)cc1 7424960 HPTZAMDJUIGTFE-UHFFFAOYSA-N 307.288 3.328 0 40 DGAB C[C@H](N[C@@H]1CCO[C@H]1C)c1ccc(OC2CCOCC2)cc1 90940286 GSMNSNJKZJZXIU-SUNYJGFJSA-N 305.418 3.072 0 40 DGAB Cc1cnccc1NCCn1ccnc1-c1ccc(C(=O)O)cc1 72159054 FKNGDYZCKPDGAD-UHFFFAOYSA-N 322.368 3.064 0 40 DGAB Cc1ccsc1C(=O)Nc1nnc(-c2ccncc2)s1 28304048 QABCWXDDCLWTSF-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2csc(C)n2)C1 76088353 GXFLXWNYXLUGDW-WCQYABFASA-N 313.492 3.267 0 40 DGAB COC(=O)c1cc(F)cc(OC)c1NC(=O)c1ccc(F)cc1 72292780 BXXHAWZHGVHSRS-UHFFFAOYSA-N 321.279 3.012 0 40 DGAB CNC(=O)[C@@H](Cc1ccccc1)SCc1ncc(C)s1 97114035 UPCGGMKJHTXJPA-CYBMUJFWSA-N 306.456 3.042 0 40 DGAB C[C@@H](CNC(=O)NC[C@H](O)c1ccsc1)Cc1cccs1 76088991 MCPSSQOJWNOBEY-RISCZKNCSA-N 324.471 3.021 0 40 DGAB O=[S@](Cc1ccc(-n2cccn2)cc1)c1ccc(F)c(F)c1 97115192 SENLONDRKIEPBG-QFIPXVFZSA-N 318.348 3.458 0 40 DGAB CC[C@H]1CC[C@H](C)N1C(=O)Nc1cc(C(=O)NC)ccc1C 95459119 BEGGGNKSJYVGQW-JSGCOSHPSA-N 303.406 3.149 0 40 DGAB COc1ccccc1[C@@H]1CCCN1C(=O)CC1(O)CCCCC1 73334474 HKQPLCDEVHJBON-INIZCTEOSA-N 317.429 3.444 0 40 DGAB COC1CCN(C(=O)NC2CC(c3cccc(Cl)c3)C2)CC1 78946963 JKIIUJIUZGCWEX-UHFFFAOYSA-N 322.836 3.406 0 40 DGAB CC(=O)N[C@H](C)C(=O)NCC1(C2CCCCC2)CCCCC1 95980193 CKJKKNWVDORZOG-CQSZACIVSA-N 308.466 3.158 0 40 DGAB CC1(C)CN(c2ccnc3ccc(Cl)cc23)CC[S@]1=O 88756832 CSAWMIYYQKKYBO-FQEVSTJZSA-N 308.834 3.236 0 40 DGAB C[C@@H](CNC(=O)N(C)Cc1ccncc1)Cc1cccs1 74626313 BHEBQWJYHHALAP-CYBMUJFWSA-N 303.431 3.163 0 40 DGAB Cc1ccc(C)c(CS[C@H]2CCN(C3CCOCC3)C2=O)c1 75092240 HJJMOQNHEIYWOU-KRWDZBQOSA-N 319.470 3.317 0 40 DGAB Cc1cc(F)ccc1NC(=O)N1CCC(O)(C(F)(F)F)CC1 89589158 JTWPFOQQPJSJAQ-UHFFFAOYSA-N 320.286 3.055 0 40 DGAB Cc1ccc(NC(=O)CCN[C@H](C)c2cnccn2)c(Cl)c1 89669760 YIAQBPXAIZAHCZ-GFCCVEGCSA-N 318.808 3.118 0 40 DGAB CCN1C(=O)N/C(=C/c2ccc(-c3ccc(C(C)=O)cc3)o2)C1=O 409225793 LECKFRGQIBUWJW-XNTDXEJSSA-N 324.336 3.062 0 40 DGAB O=C(CCc1ccccc1F)NCc1csc(C2CC2)n1 69754059 DUQNZHLRVKNRTJ-UHFFFAOYSA-N 304.390 3.409 0 40 DGAB Cc1ccc2c(c1)[C@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1 5602540 OVDAQVIEYIDYQE-IEBWSBKVSA-N 306.409 3.443 0 40 DGAB biogenic COc1cccc2c1O[C@H](C)C(=O)N(c1ccccc1F)C2 75165526 YRSPLVMWVJBOLN-LLVKDONJSA-N 301.317 3.148 0 40 DGAB C[C@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(F)cc1 8338690 DYPBQVTZZWIGDW-VIFPVBQESA-N 322.723 3.058 0 40 DGAB C[C@@H](C(=O)NC1CCCCC1)[S@](=O)C/C=C/c1ccccc1 78555940 TUSBUFGCFBGEEC-LFSGMQCJSA-N 319.470 3.286 0 40 DGAB CCCCc1ccc(C(=O)O)cc1I 39951747 KJYDZDRDOSJJLZ-UHFFFAOYSA-N 304.127 3.332 0 40 DGAB COc1ccc(-c2cnn3c(-c4ccncc4)ccnc23)cc1 72404451 DOSDAHGURKDWQP-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB CC(C)(C)OC(=O)N[C@H](Cc1cc2ccccc2s1)C(=O)O 44297267 PTUFDSOJVUCHQE-GFCCVEGCSA-N 321.398 3.422 0 40 DGAB O=C(Nc1ccn2nccc2c1)c1cc(-c2ccc(F)cc2)n[nH]1 225594765 FDXWJUJISYYYEK-UHFFFAOYSA-N 321.315 3.116 0 40 DGAB COc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)c(C)c1 83207094 SVLRCLARRZEQKC-UHFFFAOYSA-N 302.355 3.386 0 40 DGAB COc1cccc(CCCNC(=S)Nc2ncccc2C)c1 225554971 QTBRXGJGJRJSHU-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB Cc1oc(CN(C)C(=O)c2ccc3ncccc3c2)cc1C(=O)O 195551175 LORSKVUTPKRBLK-UHFFFAOYSA-N 324.336 3.107 0 40 DGAB COC[C@H](NCc1ccc(CO)c(F)c1)c1ccc(Cl)cc1 193991761 LUVRLKRQVJRXOS-KRWDZBQOSA-N 323.795 3.449 0 40 DGAB COC(CN(C)c1ccc(Br)cc1Cl)OC 95915828 BRMNLOCMXGTDFS-UHFFFAOYSA-N 308.603 3.158 0 40 DGAB C[C@@H](C[C@H](O)c1cccs1)NCc1nc2ccccc2n1C 95448907 HSFGKEDTYJPKKN-WFASDCNBSA-N 315.442 3.237 0 40 DGAB CNC(=O)c1cccc(CCN[C@H](C)c2sccc2C)c1 96478159 KHIQLHJDIGFAFS-CYBMUJFWSA-N 302.443 3.309 0 40 DGAB CO[C@@]1(CC=C(C)C)c2ccoc2C(=O)c2oc(=O)ccc21 238753261 OPBJEKKLMMJPPR-QGZVFWFLSA-N 300.310 3.024 0 40 DGAB biogenic,in-vitro O=C(CCc1ccncc1)N1CC2(CCC2)[C@@H]1c1cccnc1 585130809 CLFZGCHMMMECHQ-SFHVURJKSA-N 307.397 3.163 0 40 DGAB C[C@H](O)CCCCCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 585132002 MOSLGMABLZKHEK-QFBILLFUSA-N 319.445 3.092 0 40 DGAB Cc1cncc(C2CCN(C(=O)c3cc4ccccc4[nH]3)CC2)n1 257202974 AOCPDLOYJIMWPN-UHFFFAOYSA-N 320.396 3.286 0 40 DGAB CO[C@H](CNC(=O)c1ccc(N(C)C)cc1)c1ccccc1C 96104956 CRKTZMYWJOKGMH-GOSISDBHSA-N 312.413 3.179 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)Cc1cc(F)ccc1F 51588952 NVWOJDZCXMPGNL-UHFFFAOYSA-N 305.324 3.368 0 40 DGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCO[C@@H]2CCC[C@H]21 56197619 PODCEFSCBAMOTK-CHWSQXEVSA-N 304.777 3.215 0 40 DGAB COc1ccc(Br)c(NCc2nnc(C3CC3)o2)c1 86204998 NNQNUUSUEAGBJN-UHFFFAOYSA-N 324.178 3.330 0 40 DGAB O=C(C1CCCCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 40817089 NCADOOKTQMPJKJ-OAHLLOKOSA-N 316.449 3.248 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccco2)CC1 5614624 RIOOPOPMYXSXQO-UHFFFAOYSA-N 304.777 3.204 0 40 DGAB CCn1nc(C)cc1NC(=O)c1ccc(Br)cc1 13656432 NMFQIBPNLYQFEJ-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1nc2ccc(OC)cc2s1 13699537 KUAJFWUANONNHC-UHFFFAOYSA-N 316.386 3.082 0 40 DGAB O=C(NCC1CCN(C2CCSCC2)CC1)[C@@H]1CC=CCC1 252569041 VUXREUYLJGPEFB-MRXNPFEDSA-N 322.518 3.067 0 40 DGAB Cc1cccc(CN2CCC(Oc3ncc(Cl)cn3)CC2)c1 1888857093 KQTWLIQLLPIQPX-UHFFFAOYSA-N 317.820 3.482 0 40 DGAB CC(C)S(=O)(=O)c1ccc(C(=O)NCC2CCCCC2)cc1 40128340 FEHCUXZJXCFMFS-UHFFFAOYSA-N 323.458 3.179 0 40 DGAB O=C(CCc1ccc(Cl)cc1Cl)NC[C@@H]1CCCO1 43728651 JDHPSZZXJVPIQF-LBPRGKRZSA-N 302.201 3.221 0 40 DGAB COCCN(Cc1ccsc1)C(=O)c1ccc(OC)c(F)c1 207974899 SYSUWJLGBLUPFP-UHFFFAOYSA-N 323.389 3.185 0 40 DGAB Clc1ccc(N2CCC[C@H](COc3nccs3)C2)nc1 2298188650 JDJICUPFCNDEDP-NSHDSACASA-N 309.822 3.487 0 40 DGAB CN(CCC(=O)O)c1ncnc2sc(-c3ccccc3)cc12 20317875 HSZSZJQVHHOHIC-UHFFFAOYSA-N 313.382 3.269 0 40 DGAB Clc1ccc([C@H]2C[C@@H](c3ccccc3)n3nnnc3N2)cc1 113695 JEFUWWLIRCCMCZ-CABCVRRESA-N 311.776 3.473 0 40 DGAB Nc1cccc(C(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c1 239597 RMESQTOWPLKDOT-UHFFFAOYSA-N 323.396 3.147 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1c(C)noc1C 7835917 VOOLWVDIBUVVPM-ZDUSSCGKSA-N 316.357 3.092 0 40 DGAB CN1[C@H]2CCC[C@H]1CC(NC(=O)Nc1cc(C(C)(C)C)on1)C2 101354810 YHJQCBGFHJFZKL-STQMWFEESA-N 320.437 3.109 0 40 DGAB COc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102194830 XFHDZNYOXSXEGW-MJVIPROJSA-N 306.431 3.179 0 40 DGAB CCCCC(=O)Nc1cc(C)c(NC(=O)c2cccnc2)cn1 4858222 NPXFQDVEZXCVAO-UHFFFAOYSA-N 312.373 3.166 0 40 DGAB CCc1c(C)nc2ncnn2c1NCCc1ccc(Cl)cc1 4898061 JLJXHBYCNWCKIY-UHFFFAOYSA-N 315.808 3.303 0 40 DGAB CCOc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 55768102 OGUIRQBTOJTKMG-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB Cc1cccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 408715 FBVMEXKJRKVQRJ-SJORKVTESA-N 306.365 3.165 0 40 DGAB biogenic COc1ccc(Cl)cc1C(=O)Nc1ccc(O)c(C(=O)O)c1 8189870 DVCKXIUBBYBQJG-UHFFFAOYSA-N 321.716 3.005 0 40 DGAB Cc1cc(Nc2nc3ccccc3[nH]c2=O)n(-c2ccccc2)n1 8582899 NRWADAPEQHAWLP-UHFFFAOYSA-N 317.352 3.161 0 40 DGAB CC(C)(C)NC(=O)COc1ccc(Oc2ccccn2)cc1 32906710 GQQCLXKPHUIKBD-UHFFFAOYSA-N 300.358 3.167 0 40 DGAB Cc1cccc(-c2nc(NC(=O)COc3ccccc3)no2)c1 21806508 ZZPWPNMEJITWIB-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB C[C@H](c1nccs1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 101682112 GOVXPZSYUAWFCT-VXGBXAGGSA-N 311.451 3.145 0 40 DGAB Cc1noc(C2CCN(c3ccc(C(F)(F)F)cn3)CC2)n1 53576645 UCLBTUVVFFMIDO-UHFFFAOYSA-N 312.295 3.176 0 40 DGAB COc1ccc(CNCc2ccc(OC)c(OC)c2)c(OC)c1 22772052 NUWUSUUJWDQAKT-UHFFFAOYSA-N 317.385 3.011 0 40 DGAB O=C(CCc1ccco1)NCCSCc1ccccc1F 60927417 WUFDNODDXHSKGW-UHFFFAOYSA-N 307.390 3.401 0 40 DGAB CC(C)(C)[C@@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2803668 XVZHTOPBPHBPNV-LLVKDONJSA-N 302.374 3.349 0 40 DGAB COc1ccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105697388 NJYHWOBLBYTSOU-AYMQEEERSA-N 303.402 3.015 0 40 DGAB Cc1cc(NC(=O)Cc2nc(-c3cccs3)oc2C)no1 24491937 VCWHJQZHRRIIEA-UHFFFAOYSA-N 303.343 3.189 0 40 DGAB COc1ccc2nc(C)c(C(=O)NCc3ccccc3)cc2c1 25949507 SQEQEZXJOXDZDD-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB Cc1ccn2cc(C(=O)N[C@@H](C)c3nc4ccccc4[nH]3)nc2c1 12506955 OASLASBPUOUNLB-LBPRGKRZSA-N 319.368 3.010 0 40 DGAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12592715 BBMCWGKQMFWUKH-JTQLQIEISA-N 317.776 3.377 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)Nc1nccs1 57279965 YAWUTOLVQQAPFV-UHFFFAOYSA-N 306.778 3.175 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 58229162 YLBVRAHUSSSVHW-HKUYNNGSSA-N 312.457 3.371 0 40 DGAB Cc1ccoc1C(=O)NC1CCN(Cc2ccccc2F)CC1 58201052 JNVOHCMCCQMUSQ-UHFFFAOYSA-N 316.376 3.122 0 40 DGAB O=C(COc1ccccc1)NCc1ccc(C(F)(F)F)cc1 12623733 CSWKIHMMZWUPBS-UHFFFAOYSA-N 309.287 3.401 0 40 DGAB O=C1NCCCC[C@@H]1Sc1nccn1-c1cccc(Cl)c1 10989723 BACKXVDSEODXFZ-ZDUSSCGKSA-N 321.833 3.287 0 40 DGAB Cc1ccsc1C(=O)NCCCN(C)Cc1ccccc1 36717819 ZFZCXIKDRCOXBP-UHFFFAOYSA-N 302.443 3.308 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)cc1 12899353 PCFRDLMKCFTDKI-UHFFFAOYSA-N 322.408 3.412 0 40 DGAB C[C@H](OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1)c1ccc(F)cc1F 69893252 VCBXQSADKCEEEJ-CUOATXAZSA-N 306.312 3.106 0 40 DGAB Oc1cc(C(F)(F)F)nn1-c1cccc(Br)c1 116603873 GYGCORQAAPLRHO-UHFFFAOYSA-N 307.069 3.359 0 40 DGAB C[C@@H](NC(=O)c1cccc2ccccc12)C(=O)NC1CCCC1 65624137 OBRWYCIDKVQHNH-CYBMUJFWSA-N 310.397 3.017 0 40 DGAB OC1CCC(NCc2c[nH]c3ccc(Br)cc23)CC1 6650992 MRUMMOWZJOKNLO-UHFFFAOYSA-N 323.234 3.324 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 69533129 WJUWXBXGWLBFEU-IINYFYTJSA-N 303.362 3.055 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(F)c2)cc1 5965592 BSBAWOZIFRHKDO-LBPRGKRZSA-N 301.317 3.434 0 40 DGAB O=C(OCc1nc(-c2cccs2)no1)c1c(F)cccc1F 7124109 GGVCPODWIWXVGJ-UHFFFAOYSA-N 322.292 3.433 0 40 DGAB C[C@H](Sc1nnnn1Cc1ccccc1)C(=O)c1ccccc1 9053686 UDPKAOHPAKCFQZ-ZDUSSCGKSA-N 324.409 3.085 0 40 DGAB Cn1cc(C(=O)N2CCC[C@@H]3CCC[C@H]32)c(C(F)(F)F)c1 96006714 DMICFMROWQJBNF-GXFFZTMASA-N 300.324 3.449 0 40 DGAB C[C@@H]1Oc2c(cccc2C(=O)N2C[C@H](C)c3ccccc32)NC1=O 71847350 MRGDOAJIFOKPQB-RYUDHWBXSA-N 322.364 3.170 0 40 DGAB c1cncc(-c2nnc(-c3cnc4onc(C5CC5)c4c3)o2)c1 71890668 MJDOCWVOCFGIFP-UHFFFAOYSA-N 305.297 3.212 0 40 DGAB NC(=O)[C@H](Sc1ncccc1Br)c1ccccc1 71914324 PBAYYADMYCPQDB-LLVKDONJSA-N 323.215 3.163 0 40 DGAB CN(Cc1ccccc1)C(=O)NCCc1ccc2c(c1)CCO2 72285005 LWQQPVBNHDBMNQ-UHFFFAOYSA-N 310.397 3.006 0 40 DGAB Cc1nc(CS[C@H]2CCN(c3ccc(Cl)cc3)C2=O)no1 76018914 JLJOAFOGNVDEHH-LBPRGKRZSA-N 323.805 3.070 0 40 DGAB Cc1cccc(NC(=O)Nc2cnn(C)c2)c1Br 97162611 ZQASDLJNVQPQFE-UHFFFAOYSA-N 309.167 3.135 0 40 DGAB Cc1ncsc1-c1nc(CNc2cc(F)cc(F)c2)no1 95414811 XESKPFZPSOLASS-UHFFFAOYSA-N 308.313 3.392 0 40 DGAB Cc1n[nH]c(-c2ccc(C(=O)NC3(c4ccccc4)CC3)cc2)n1 73269580 IMCAXNFAHIMBQA-UHFFFAOYSA-N 318.380 3.199 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)[C@H](C)C1 78897312 YSOZFGXDDQNSPH-ABAIWWIYSA-N 312.816 3.216 0 40 DGAB CCc1cnc(CN(C)[C@@H]2CCN(CCc3cccs3)C2)o1 78891842 FSDOIUNAMSGLOW-CQSZACIVSA-N 319.474 3.047 0 40 DGAB CCOCCN1CCN(Cc2ccc(Cl)s2)C[C@H]1CC 95950833 XOXYLNIJBIJULC-CYBMUJFWSA-N 316.898 3.334 0 40 DGAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)C(C)(C)C 20136893 GCYHXDHDNUWEGT-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB O=C(CCCOc1ccccc1)NCCSCc1ccco1 408703859 ZWHJYKCHNCQOAV-UHFFFAOYSA-N 319.426 3.488 0 40 DGAB CC1CCN(C(=O)Cn2nc(C(F)(F)F)cc2C2CC2)CC1 32611370 HLMZVTIPAQBJAT-UHFFFAOYSA-N 315.339 3.038 0 40 DGAB O=C(COc1ccc(Cl)cc1)n1c(=O)sc2ccccc21 3850702 PHKZIWIWTNIDLG-UHFFFAOYSA-N 319.769 3.436 0 40 DGAB biogenic COC(=O)c1oc(CSc2nnc(C3CC3)s2)cc1C 74804932 NICYXUNEBYRYTN-UHFFFAOYSA-N 310.400 3.396 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3cccc(C)c3)C2)cc1 34916224 RLQMXPYKJWVOCI-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB COc1cccc(NC(=O)NCc2cc(C)oc2C)c1OC 70640545 HZDGFZWLCIDQQT-UHFFFAOYSA-N 304.346 3.235 0 40 DGAB CNc1cccc([C@@H]2CCCN(C(=O)Cc3ccccc3)C2)n1 72368671 UOPXINDZDPJYJL-MRXNPFEDSA-N 309.413 3.072 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)c1 36635356 YZADRPQESIFJDC-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB O=C(NCC[C@H](O)c1ccco1)c1ccc(Cl)cc1Cl 77111119 YKSHYVRVOFVYGU-LBPRGKRZSA-N 314.168 3.440 0 40 DGAB Cc1ccc2oc(=O)c(C(=O)N(C)Cc3ccccc3)cc2c1 226037131 BNPOHJDRMWBSKP-UHFFFAOYSA-N 307.349 3.374 0 40 DGAB CCO[C@](C)(CC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225650712 HAIOEFQNLZYURO-GOSISDBHSA-N 322.449 3.161 0 40 DGAB COc1cccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)c1 225061428 SJURMAOGLIYWEA-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 44844111 JQQDULYYMUHWHW-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB CCOc1ccc(-c2nc(-c3ccc(OC)c(N)c3)no2)cc1 225176818 NAZKPKUBCZRZED-UHFFFAOYSA-N 311.341 3.393 0 40 DGAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCC[C@H]1C 226852898 VBJBCAKYLQHYEK-HUUCEWRRSA-N 313.401 3.041 0 40 DGAB CCN1CCN(c2cccc(NC3C[C@H](C)O[C@@H](C)C3)c2)CC1 191885612 YWPDRHACRMVEHU-HOTGVXAUSA-N 317.477 3.196 0 40 DGAB CCCc1ccc(OCCNC(=O)c2ccccc2OC)cc1 223446541 XQMOXIHZIQZKQV-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCN(C2CCCCC2)CC1 44442583 CMKPYRLQIVIXGR-UHFFFAOYSA-N 311.429 3.258 0 40 DGAB Cc1noc(C)c1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 192136984 KSISSHJTRMEYAB-HZPDHXFCSA-N 308.328 3.189 0 40 DGAB CCc1cnc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)s1 96461744 RUGJTQYITLBRON-LLVKDONJSA-N 305.407 3.188 0 40 DGAB CCN1CCC2(CC1)C[C@@H](CC(=O)N(C)C)c1ccc(F)cc12 96100651 UFVGSPACIZUAIN-CQSZACIVSA-N 318.436 3.145 0 40 DGAB CCc1csc(NC(=O)NC2CCN(C3CCCC3)CC2)n1 96452249 OBMKRYYRVCJFOF-UHFFFAOYSA-N 322.478 3.234 0 40 DGAB O=C(N[C@H]1CCCOc2cc(Cl)ccc21)C1=COCCC1 96493037 UECDHVYJMUKBOD-AWEZNQCLSA-N 307.777 3.364 0 40 DGAB C/C(=C/c1ccccc1)[C@@H]1NC(N)=Nc2nc3ccccc3n21 97998065 YSUVMVPFDVAORU-YUQCYMQKSA-N 303.369 3.188 0 40 DGAB CN(C[C@H](O)C(F)(F)F)C(=O)Nc1cccc(C(F)F)c1 96491419 VPBWDSRCEQBFAC-VIFPVBQESA-N 312.238 3.011 0 40 DGAB COc1ccc([C@H]2CC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 98095672 PLHOSPLRVLUAEX-ZIAGYGMSSA-N 321.373 3.220 0 40 DGAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)co1 96057904 SESHDSGPLQDSKJ-RCCFBDPRSA-N 305.418 3.218 0 40 DGAB C[C@@H](CNC(=O)CCCCC[C@@H](C)O)Oc1cccc(F)c1 585132289 SJUHPDCGDRFSEF-KGLIPLIRSA-N 311.397 3.041 0 40 DGAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2[nH]ncc2C)s1 257203694 AREMRGUSTLWMHG-AWEZNQCLSA-N 303.431 3.384 0 40 DGAB CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCN(C)CC2)c1 252489248 JMOGACGRTNQHEA-OAHLLOKOSA-N 302.462 3.199 0 40 DGAB Cn1cc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 257239813 HQXNUBLCMXLFDR-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257324010 WMUIEUPJHXGMLY-LBPRGKRZSA-N 311.376 3.016 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCC[C@H](C)C2)c(C)c1 260812983 NUIFVXNKGHALGL-INIZCTEOSA-N 302.462 3.084 0 40 DGAB O=C(Nc1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390828518 ROPASKZKEZALBO-HNNXBMFYSA-N 300.362 3.096 0 40 DGAB O=C(/C=C/[C@@H]1CCOC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 493357347 RZYNTGUTODZSJE-HVDIUVSSSA-N 309.768 3.044 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)NCC2(C)CCCC2)c1 66667635 RVQVSSKUBLMSFM-UHFFFAOYSA-N 307.369 3.486 0 40 DGAB Cn1ccnc1CN1CCCC[C@@H]1c1nc(-c2ccccc2)no1 69653876 ZIASYNPKEZNCRV-OAHLLOKOSA-N 323.400 3.197 0 40 DGAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2Cc2scnc2C)cc1 1615142428 DKUYLEVVZNDZLW-IRXDYDNUSA-N 316.470 3.328 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)Nc1ncnc2ncccc12 1775971582 QZYYATCNKJYOFZ-GFCCVEGCSA-N 306.369 3.003 0 40 DGAB CC1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 5485630 DUKBNTKUKOGNDE-CYBMUJFWSA-N 318.244 3.465 0 40 DGAB S=C(NCc1ccccc1)Nc1ccc(N2CCCC2)nc1 11102453 BURZFQMLXWCYKS-UHFFFAOYSA-N 312.442 3.168 0 40 DGAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2c(F)cccc2F)n1 12133702 KXSUOVYRWDMESC-HNNXBMFYSA-N 319.355 3.456 0 40 DGAB Cn1nccc1C(=O)N[C@H]1[C@@H]2CCCC[C@H]2[C@@H]1c1ccccc1 12162202 CRYPYYFHVZFRLT-LMSBXDPUSA-N 309.413 3.122 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)cc2)c1 13647249 BKBDGUGPACKJDD-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB O=C(COC(=O)C1(c2ccccc2)CCC1)Nc1ccccc1 16376071 HCPXEQSATSDFEU-UHFFFAOYSA-N 309.365 3.290 0 40 DGAB O=C(NCc1cccs1)c1ccc(N2CCCCC2)nc1 19343742 LIUPHHQGXMTTEM-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB C[C@H](C(=O)N[C@H](C[S@](C)=O)c1ccccc1)c1cccs1 205466166 MZEUKIYRDDDQQA-UPBLURMWSA-N 321.467 3.088 0 40 DGAB CCn1c(CC(=O)OC)cs/c1=N\c1ccc(Cl)cc1 5601212 DKHMPBHKSYXUHC-PEZBUJJGSA-N 310.806 3.171 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(C[C@@H]2CCCO2)C1 1849465946 OCRRULPFCFCNHT-HNNXBMFYSA-N 313.445 3.370 0 40 DGAB CCc1cnc(OC2CCN(CCc3ccccc3)CC2)nc1 1776008566 GSMZDUCTZXIQDQ-UHFFFAOYSA-N 311.429 3.125 0 40 DGAB C[C@](O)(CNc1nc2cnccc2s1)Cc1ccsc1 1775972471 HOYRMNZFPMFZLB-CQSZACIVSA-N 305.428 3.158 0 40 DGAB CC(C)OCCCNC(=O)Nc1ccc(Br)cc1 40023843 VNXKGTYYPQOHLC-UHFFFAOYSA-N 315.211 3.386 0 40 DGAB O=c1ccc(-c2ccco2)nn1[C@H]1CCc2ccccc2N=C1O 40266309 LHTXFXNVGLMNKU-HNNXBMFYSA-N 321.336 3.279 0 40 DGAB COc1ccccc1[C@@H]1C=C(c2ccccc2)Nc2ncnn21 100888965 AFWGJJUYUDSCES-INIZCTEOSA-N 304.353 3.343 0 40 DGAB COc1ccc(CNS(=O)(=O)c2ccc(C)c(C)c2C)cc1 79758 LXQKUGUCQFZYSH-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB COc1ccc2nc(S[C@@H](C)C(=O)NC3CCCC3)[nH]c2c1 8710187 NKVUILHTTFEJHE-JTQLQIEISA-N 319.430 3.111 0 40 DGAB CCCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)C 11565825 UHHYTJHMXAGCPL-UHFFFAOYSA-N 311.447 3.383 0 40 DGAB O=C(c1cnc2ccc(Cl)cc2c1Cl)N1CCOCC1 149368 RWDAYTNEOLGMBS-UHFFFAOYSA-N 311.168 3.014 0 40 DGAB Cc1cc2ncn(C[C@@H](O)COc3ccccc3C)c2cc1C 180970 NKKZIQKCPFGHBK-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB C[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC1CCCC1 7904149 RJAPPAJWLWBJRM-SNVBAGLBSA-N 320.462 3.030 0 40 DGAB Cc1cccc(NC(=O)C(O)(c2ccccc2)c2ccccc2)n1 11639978 OFMNTAOTILNQBK-UHFFFAOYSA-N 318.376 3.265 0 40 DGAB Cc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)C)cc1C 16453070 DIEKHFKTQNGAHM-LBPRGKRZSA-N 304.419 3.234 0 40 DGAB O=C1CC[C@](c2ccccc2)([C@@]2(c3ccccc3)CCC(=O)O2)O1 1728685 LZSPGROMWQQYPU-PMACEKPBSA-N 322.360 3.451 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](C)C3)o2)n1 2779147 WGAPVYIFRHPJJU-LBPRGKRZSA-N 301.390 3.013 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2OC)cc1 3422993 NLEGYZVAVMPMTM-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB O=C(Nc1cccc2cnccc12)[C@H]1COc2ccccc2C1 32784514 OPHVBNSECDSMOU-OAHLLOKOSA-N 304.349 3.425 0 40 DGAB O=C(CCOCC(F)(F)F)Nc1nc2ccccc2s1 32796715 ILLIBWUKAILYCM-UHFFFAOYSA-N 304.293 3.204 0 40 DGAB O=C(NCc1cn2cc(Cl)ccc2n1)Nc1ccccc1F 32796853 ODRJSRYJTVSSOI-UHFFFAOYSA-N 318.739 3.449 0 40 DGAB CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@@H]1CCCC[C@@H]1O 4800366 UPZNNAMOUNPNMB-SMLCLMEVSA-N 312.450 3.311 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](N)Cc2ccccc2)c(Cl)c1 11961925 MHMZJGIIDZAXHE-HNNXBMFYSA-N 302.805 3.465 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](Cn1ccnc1)C(C)(C)C 32935955 KXTNNROOCCIQJA-HNNXBMFYSA-N 316.405 3.128 0 40 DGAB Cc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1 8163343 UHDRITXODTUEOM-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB O=C(N[C@H]1CCc2[nH]ncc2C1)N[C@@H](c1ccccc1)C1CCC1 89826031 MMBDIYBLUCFLFG-WMZOPIPTSA-N 324.428 3.108 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cccc(C(=O)O)c2C)cc1 8907610 PFYJCBAIURYICW-DHZHZOJOSA-N 311.337 3.354 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@H](c1nccs1)C1CC1 89885319 QYDSSBDTPCUPBF-VIFPVBQESA-N 321.431 3.145 0 40 DGAB C[C@@H]1CCc2cc(F)ccc2N1C(=S)NC[C@H]1CCCO1 2770934 HYDBKJDKAGNQGB-BXUZGUMPSA-N 308.422 3.020 0 40 DGAB COc1cc(OC)c(OC)c(C(=S)NC2CCCCC2)c1 9188049 WOVXBZDJAKWPDD-UHFFFAOYSA-N 309.431 3.310 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NC[C@@H]1CCCOC1 54041332 HIJHGWQPZLUGAE-AWEZNQCLSA-N 300.402 3.033 0 40 DGAB O=C(OCc1csc(Nc2ccccc2)n1)C1(O)CCCC1 61248722 MDIRSVHDHJLNCL-UHFFFAOYSA-N 318.398 3.235 0 40 DGAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)[C@H]1CCCO1 54135758 SOWPTUFOXPPWMT-MRXNPFEDSA-N 311.385 3.004 0 40 DGAB Cc1ccc(-n2nc(C)c(C(=O)N3CCCCC3)n2)cc1Cl 59843342 XETWPABBNMHMHA-UHFFFAOYSA-N 318.808 3.164 0 40 DGAB CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 23492737 CDEFZLBLUWJAOS-LBPRGKRZSA-N 300.358 3.194 0 40 DGAB C[C@H](NCc1cccc2c1OCCO2)c1ccc2c(c1)OCO2 42791109 PIXHTMUQHWBTGN-LBPRGKRZSA-N 313.353 3.037 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NCC[C@H]1CCCO1 23876257 NDBAZRSDBGZLCI-CQSZACIVSA-N 316.426 3.417 0 40 DGAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28221146 UUFJCESMBWCLNV-AWEZNQCLSA-N 306.431 3.258 0 40 DGAB CC1CCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)CC1 43268814 WIRWJUIUXZDGOA-KRWDZBQOSA-N 302.418 3.036 0 40 DGAB CC1(C)[C@@H]2CC=C([C@@H]3NC(N)=Nc4nc5ccccc5n43)[C@@H]1C2 102898634 NPWRIMCTAVGORR-IFUGULHKSA-N 307.401 3.077 0 40 DGAB O=C(CCc1cnn(-c2ccccc2)c1)N1CCc2ccccc21 21675237 RVZZESWLPBGAKA-UHFFFAOYSA-N 317.392 3.394 0 40 DGAB CCOC(=O)c1nnsc1Nc1cccc(C(F)(F)F)c1 1416972 ICWWRZIBYBEFJS-UHFFFAOYSA-N 317.292 3.477 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@H]2CCC[C@@H]21 56196232 NTGFUSYCIJHLEA-GJZGRUSLSA-N 304.777 3.215 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(F)c2)C1=O 101275711 APSVVSKZOLVDCB-OAHLLOKOSA-N 312.344 3.132 0 40 DGAB Cc1cc(NC(=O)CN(Cc2ccccc2)[C@@H](C)C2CC2)no1 24673700 DJHICZMZNHNSBQ-AWEZNQCLSA-N 313.401 3.222 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)Cc1cnn(-c2ccccc2)c1 44895630 DQFGYJXWOMUXDL-UHFFFAOYSA-N 323.371 3.213 0 40 DGAB COc1ccccc1[C@@H](NC(=O)CCC(C)C)c1nccn1C 44890360 LDSMKFHXXCMKDN-QGZVFWFLSA-N 315.417 3.071 0 40 DGAB CC(C)Cc1nc(CS(=O)(=O)c2ccc(C(C)C)cc2)no1 44947736 BPRYXRMEHGYOPX-UHFFFAOYSA-N 322.430 3.365 0 40 DGAB CC(C)CCC(=O)Nc1ccc(N2CCN(C3CC3)CC2)cc1 58323136 AGHRYFNTUZPHQX-UHFFFAOYSA-N 315.461 3.346 0 40 DGAB Cc1nc(-c2ccccc2)sc1CSc1nnc(N)n1C 58343137 FDKPIISWGONGLD-UHFFFAOYSA-N 317.443 3.122 0 40 DGAB Cc1csc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1 3323463 WUFURICHIKLZPG-AWEZNQCLSA-N 318.398 3.262 0 40 DGAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1csnn1 58924576 QPYUCMVNORAPPQ-DZGCQCFKSA-N 301.415 3.337 0 40 DGAB CN(C(=O)c1ccc(=O)[nH]c1)C1CCC(c2ccccc2)CC1 45433126 XUFAOTGOXOFVRL-UHFFFAOYSA-N 310.397 3.173 0 40 DGAB CC(C)N(Cc1cccc(Cl)c1)C(=O)c1ccn(C)c(=O)c1 45489507 VKDNPAWODFPWBQ-UHFFFAOYSA-N 318.804 3.090 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CC(=O)N(c2ccccc2)C1 8216654 HIQXZSFGUFDWEA-MRXNPFEDSA-N 320.392 3.167 0 40 DGAB COc1cccc(CN(C)C(=O)/C=C/c2cccs2)c1OC 3454198 PLGYXEXPXWGSJC-MDZDMXLPSA-N 317.410 3.437 0 40 DGAB Cc1nc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)no1 12934847 HOTNHGMVEILNNN-UHFFFAOYSA-N 312.300 3.327 0 40 DGAB Cc1cc(C)n(C2CN(Cc3ccc(F)c4cccnc34)C2)n1 70016207 LGSXPONCFJCNFR-UHFFFAOYSA-N 310.376 3.244 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1OCC(F)F 69351228 CHKVMQQMYOAWQT-LBPRGKRZSA-N 312.360 3.062 0 40 DGAB CCC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4091594 ZVAOKOJHAZMNOT-UHFFFAOYSA-N 324.409 3.453 0 40 DGAB O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/CN1CCCC1 4108495 RXWDJXRBIRGVLN-WGLAMXGCSA-N 314.429 3.440 0 40 DGAB CC(=O)c1cc(Cl)ccc1OCC(=O)NCc1ccccc1 4283711 XPTPFPBNBZVFRH-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB Cn1ncc2c(SCc3ccccc3OC(F)F)ncnc21 14151147 RZLZWVIHUMSNNI-UHFFFAOYSA-N 322.340 3.257 0 40 DGAB Cn1cccc1[C@@H]1CCCCCN1S(=O)(=O)c1cccs1 14160002 CKASIDZIHSAVDP-AWEZNQCLSA-N 324.471 3.393 0 40 DGAB COc1ccc(/C=C/C(=O)O[C@@H]2CCCC[C@@H]2CN(C)C)cc1 5524623 YFCDMEJSQRDGGK-ZODAKWMJSA-N 317.429 3.372 0 40 DGAB COC(=O)c1ccc(OC(=O)CCn2ccc3ccccc32)cc1 5689598 FQKFUGZOXVIZKL-UHFFFAOYSA-N 323.348 3.424 0 40 DGAB CN(c1ccccn1)S(=O)(=O)c1cc(Cl)ccc1Cl 5689874 HMOZJBLBFPVYFR-UHFFFAOYSA-N 317.197 3.214 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2n[nH]c3ccccc23)cc1 4823500 AUHHLRVEZRKRHD-GFCCVEGCSA-N 308.337 3.300 0 40 DGAB CC(=O)Nc1cccc(C(=O)OCc2nc3ccccc3o2)c1 8523931 RMNMSHGFOICLIC-UHFFFAOYSA-N 310.309 3.143 0 40 DGAB CC(C)(C)C(=O)Nc1sc2c(c1C(N)=O)CCCCCC2 5900830 PTZHJLPCNIYVLR-UHFFFAOYSA-N 308.447 3.491 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccc3c(c2)CCC3)s1 7192577 UPHVQDICGVBSEN-UHFFFAOYSA-N 305.428 3.066 0 40 DGAB Cc1nn(C)c(Cl)c1CSc1nnc(-c2ccco2)n1C 68042965 BXVLWRNCRQSCMV-UHFFFAOYSA-N 323.809 3.063 0 40 DGAB COc1ccc(C)cc1CCNCc1ccc(NC(C)=O)cc1 7736196 COEQWXLOGKZYLZ-UHFFFAOYSA-N 312.413 3.294 0 40 DGAB C[C@H]1CN(C(=O)c2c3c(nc4ccccc24)CCCC3)C[C@H](C)O1 8852495 OLOIHONIOQSBRJ-KBPBESRZSA-N 324.424 3.363 0 40 DGAB COc1cc(C)ccc1OCC(=O)N1CCC(c2ccccc2)=N1 22318954 LPBKAYXNRWXYAE-UHFFFAOYSA-N 324.380 3.019 0 40 DGAB O[C@H](CN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 71897141 JBOGAPKDYAYRQR-LJQANCHMSA-N 321.424 3.476 0 40 DGAB Cc1ccccc1CNC(=O)Nc1ccc2c(c1)NC(=O)CC2 71922254 RBIRZMHRSUZOOQ-UHFFFAOYSA-N 309.369 3.201 0 40 DGAB CCc1nc([C@@H](C)NC(=O)Nc2ccc3[nH]ncc3c2)cs1 71908418 DDIBNDJAKSLPSR-SECBINFHSA-N 315.402 3.465 0 40 DGAB O=C1N[C@H](c2ccccc2OC(F)(F)F)Nc2ccccc21 9602182 SSJVTGHBAYSCME-CYBMUJFWSA-N 308.259 3.439 0 40 DGAB COc1ccc(-c2n[nH]cc2CNc2ccc(OC)nc2)cc1 83952245 YQYHGTRXTRBVGP-UHFFFAOYSA-N 310.357 3.101 0 40 DGAB O=C(COC1CCCCC1)Nc1ccc(-c2cncnc2)cc1 72287356 GHQQAEBORRLSIS-UHFFFAOYSA-N 311.385 3.431 0 40 DGAB Cc1sc(CCNC(=O)NC2CC2)nc1-c1ccccc1 76091920 XQRZIRWNECUVKN-UHFFFAOYSA-N 301.415 3.123 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@@H](c1ccco1)N1CCCC1 97159159 VUPAKQGXARNPFV-HNNXBMFYSA-N 316.449 3.227 0 40 DGAB C[C@H](N[C@@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 97234804 KERVYLVYOCMPNI-DTWKUNHWSA-N 314.501 3.339 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)N2CCCC[C@@H]2C)cc1 72967709 VOOZEPSEVKHVDR-AWEZNQCLSA-N 303.402 3.449 0 40 DGAB CC[C@@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1noc(C)n1 95409978 NIUDBYCXYJQUBD-GXFFZTMASA-N 318.377 3.357 0 40 DGAB CC[C@@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79096213 KRVYJGXYRVSZTE-CVEARBPZSA-N 318.461 3.049 0 40 DGAB Cc1cnc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 95968582 NJTXZEDNFPRIPT-RYUDHWBXSA-N 319.396 3.129 0 40 DGAB Cc1cc2occ(CC(=O)Nc3cccc(C(N)=O)c3)c2cc1C 9950755 NLVFRLQRPXDSBH-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB COc1ccc(CNc2ccn(Cc3ccccc3)n2)cc1O 89459744 KBAZPSBPTXKNIP-UHFFFAOYSA-N 309.369 3.258 0 40 DGAB COc1ccc2c(c1)C[C@H](NCc1cncn1CC(C)C)CC2 67754510 SUGWMYZICJWGQY-QGZVFWFLSA-N 313.445 3.195 0 40 DGAB CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[C@@H](C)C(C)C 67114286 UXAYKZRNSWMUBS-LBPRGKRZSA-N 318.396 3.221 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2OC)C1=O 36635591 SWWJAKYQGMQVNS-OAHLLOKOSA-N 324.380 3.002 0 40 DGAB Cc1cc(NC(=O)C2(c3ccccc3)CCOCC2)sn1 38680620 LCJWUOQOBAQEDL-UHFFFAOYSA-N 302.399 3.138 0 40 DGAB Cc1nc(NCc2cccc(F)c2)cc([C@H]2CCCNC2)n1 72365083 BWOZFYXURXWEOZ-AWEZNQCLSA-N 300.381 3.003 0 40 DGAB COc1ccc(CSCC(=O)NCc2ccc(F)cc2)cc1 38754248 HKZLRILYTCGTBL-UHFFFAOYSA-N 319.401 3.384 0 40 DGAB CC(=O)NC[C@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 79353760 BJVSGPRMNYASJC-CYBMUJFWSA-N 317.820 3.241 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCCC[C@H]1c1ccccc1 1567298484 MAQYKUPLJVBUBZ-KRWDZBQOSA-N 320.396 3.185 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)C2CC2)C1 48344993 ZHYQKOTZIHOVNG-GASCZTMLSA-N 300.446 3.191 0 40 DGAB Fc1cc(Br)cc(OCCC2OCCCO2)c1 89064052 PEUJUPAYIKYCGB-UHFFFAOYSA-N 305.143 3.120 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)N1CC(=O)Nc2ccccc21 44903225 RKZZVGZWDJZGAE-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB CN(Cc1nc(-c2cccc(Cl)c2)no1)C(=O)C(C)(C)C 225868395 PDDUCUDZKHCIRS-UHFFFAOYSA-N 307.781 3.395 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=S)NCc2ccco2)c1 225317883 OHTWHTVAOYIOHC-UHFFFAOYSA-N 318.398 3.251 0 40 DGAB CN(C)Cc1ccnc(NCc2cccc(-c3cnn(C)c3)c2)c1 97231811 DAPJOZSFERPAOU-UHFFFAOYSA-N 321.428 3.156 0 40 DGAB Cc1ncc([C@@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 90449923 OZYFYKGFYWFBJI-OCCSQVGLSA-N 322.416 3.086 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)CCc2ccsc2)o1 96412281 NKBJVLPHXWCVKQ-OAHLLOKOSA-N 319.426 3.436 0 40 DGAB CC[C@](Cl)([C@H](O)c1ccc(Cl)cc1)S(=O)(=O)CC 96520700 GOYUFTAHCUDMCK-VXGBXAGGSA-N 311.230 3.153 0 40 DGAB CCOC(=O)c1cnc2cc(Cl)c(OC(F)F)cc2c1O 95097574 KANIEAGCCFQCRH-UHFFFAOYSA-N 317.675 3.372 0 40 DGAB CC(C)CNC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96183666 YILLBEHEHRVPPF-UHFFFAOYSA-N 316.445 3.253 0 40 DGAB O=C(Cn1c(C2CC2)nc2ccccc21)N1C[C@H]2CC=CC[C@H]2C1 96423502 BOIRIVOOXAGNMR-IYBDPMFKSA-N 321.424 3.338 0 40 DGAB CC[C@](Cl)(C(=O)c1cccc(Cl)c1)S(=O)(=O)CC 96518426 QVHQLDILKWWUMK-GFCCVEGCSA-N 309.214 3.303 0 40 DGAB C[C@H](c1cc(Cl)ccc1Cl)N1CCC(NC(N)=O)CC1 95433854 DHNCXNSMEXBICR-SECBINFHSA-N 316.232 3.187 0 40 DGAB Cc1cccc(NC[C@@H]2CCN(Cc3cnc(C)s3)C2)n1 97200547 VJVVNOGXZIPLJK-AWEZNQCLSA-N 302.447 3.089 0 40 DGAB CCCn1ccc2cc(NC(=O)[C@H]3CC[C@@H](C(=O)O)C3)ccc21 1596115843 KNHZBDNDWBZHEG-UONOGXRCSA-N 314.385 3.491 0 40 DGAB Cc1ccsc1CN1CCC[C@H]1c1nccc(CN(C)C)n1 257291497 QHFHRSDHZKMPNY-HNNXBMFYSA-N 316.474 3.245 0 40 DGAB CC(C)(C)c1cccc(OCCCN2CCC[C@@H]2C(=O)O)c1 41533667 DFWCOILVJBTRQJ-MRXNPFEDSA-N 305.418 3.302 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)o1)c1ccco1 390831548 SLKMMGPHROQRHD-NSHDSACASA-N 303.339 3.065 0 40 DGAB CC(C)[C@H](OC[C@H]1CCCO1)C(=O)Nc1nc(C2CC2)cs1 58004209 YDDJIQIOABZHED-OCCSQVGLSA-N 324.446 3.179 0 40 DGAB COC(=O)Nc1cc(NC(=O)c2ccccc2OC)ccc1F 66489669 OSEGOPBZEQGWAM-UHFFFAOYSA-N 318.304 3.265 0 40 DGAB COC(=O)[C@H](Sc1nnc(NC2CC2)s1)c1ccccc1 69701994 JUSRYFPEAMOYEI-LLVKDONJSA-N 321.427 3.119 0 40 DGAB CCOc1ccccc1CNC(=O)c1cn(CC)nc1C(C)C 96418256 BAUOKHOTNWWFCX-UHFFFAOYSA-N 315.417 3.355 0 40 DGAB CCn1cncc1CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 12143717 NGHNUGYTCPSNRV-GOSISDBHSA-N 317.408 3.223 0 40 DGAB CC(=O)Nc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 15421622 LJISDDZZFUOFFM-LLVKDONJSA-N 316.332 3.190 0 40 DGAB CC(C)CCCCCCCCCCC(=O)OC[C@H](O)CO 35455971 ZGNRVILZVRTZON-MRXNPFEDSA-N 302.455 3.440 0 40 DGAB biogenic,in-vitro O=C1NCCCC[C@H]1Sc1ncc(-c2ccc(F)cc2)o1 10848858 RBWJFBHGEMRYGW-CYBMUJFWSA-N 306.362 3.242 0 40 DGAB Cc1nccn1Cc1nc(-c2ccc(C(F)(F)F)cc2)no1 29937984 ZXWGMKCNIDDFNC-UHFFFAOYSA-N 308.263 3.309 0 40 DGAB CCOC(=O)c1ccc(OCc2noc(-c3ccco3)n2)cc1 31700916 KFMOWORZCALORL-UHFFFAOYSA-N 314.297 3.085 0 40 DGAB Cc1csc(N2CCC(COc3ncnc(C)c3C)CC2)n1 1565519129 DHAWFIYOWVZUKK-UHFFFAOYSA-N 318.446 3.154 0 40 DGAB Cn1ncc2c(NCc3ccc(-c4ccoc4)cc3)ncnc21 1775972397 FOHINXCMQLDESF-UHFFFAOYSA-N 305.341 3.235 0 40 DGAB O=C(CSC(=S)N1CCCC1)c1c[nH]c2ccccc12 6217015 FHFPRHRHTJHMJK-UHFFFAOYSA-N 304.440 3.465 0 40 DGAB COc1ccc(OC)c(NC(=O)NCCc2ccccc2C)c1 40023919 YEQKUOKPHKBLDA-UHFFFAOYSA-N 314.385 3.376 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)NC1CCCC1 36954 XRKXAHWEEXQASA-UHFFFAOYSA-N 315.417 3.423 0 40 DGAB CCN(Cc1nc2ccsc2c(=O)[nH]1)Cc1ccccc1C 40520409 POSJPXKBBFUDEV-UHFFFAOYSA-N 313.426 3.315 0 40 DGAB COc1cc(CNc2nc3ccccc3[nH]2)cc(OC)c1OC 240912 FZMQADBJHYOBEO-UHFFFAOYSA-N 313.357 3.201 0 40 DGAB aggregator Cc1ccc(CN(C(=S)NCC(=O)O)C2CCCCC2)cc1 266558 JFLJMMNKPSMXPQ-UHFFFAOYSA-N 320.458 3.089 0 40 DGAB Cc1cc(C)c2c(CC(=O)NCCCCCC(=O)O)coc2c1 11867338 PLMWLAOMKFIIGD-UHFFFAOYSA-N 317.385 3.353 0 40 DGAB COc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1OC 2638829 JQYDLLZASVXFTP-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB CCN[C@@H](C1CCCCC1)[C@@H](C)OC(=O)c1ccc(N)cc1 1711721 AAHFSQZVCCRFLB-CXAGYDPISA-N 304.434 3.373 0 40 DGAB O=C(CSc1nnc2ccccn12)c1ccc(Cl)cc1 2645608 MGEVNJVFEUWDKZ-UHFFFAOYSA-N 303.774 3.358 0 40 DGAB O=C(OCc1nc(-c2cccs2)no1)c1cc(Cl)c[nH]1 32777172 RRMSDAFXCZCZJX-UHFFFAOYSA-N 309.734 3.137 0 40 DGAB CCOc1cccc(CNCCCSc2ncccn2)c1 4984115 PORNCGIHLFNZAE-UHFFFAOYSA-N 303.431 3.147 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)NC1CCCCC1 6262386 XBLIMIKVZXUPOX-UHFFFAOYSA-N 305.378 3.108 0 40 DGAB CCOc1ccccc1[C@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678520 ORDMDCPFAAQQGP-QMTHXVAHSA-N 317.414 3.280 0 40 DGAB Cc1cc(C)cc(C2(C(=O)NCCc3nc(C)cs3)CC2)c1 52406533 KZJLTCRFATVOLX-UHFFFAOYSA-N 314.454 3.459 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccccc2OC)cc1OC 6824238 FMQKHBCZQJYNCF-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB COc1ccc([C@@H]2NC(=O)c3c(sc4c3CCC4)N2)cc1 525656 XCOZGOCQEYYNBO-CQSZACIVSA-N 300.383 3.100 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCN(C)CC1 22459118 KRNJRVDKYMRTOO-FQEVSTJZSA-N 320.440 3.208 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](c2ccnc3cc(C)nn32)CC1 100159269 YCJCYDPOVQVMMV-GASCZTMLSA-N 314.433 3.228 0 40 DGAB CSc1ccccc1C(=O)NCCOCc1ccccc1 177045744 BXLRADUBBKWRTI-UHFFFAOYSA-N 301.411 3.355 0 40 DGAB CCn1nc(C)c2nc(C)nc(NCc3ccc(OC)cc3)c21 57355791 TZBPPPWKOIUBMG-UHFFFAOYSA-N 311.389 3.084 0 40 DGAB CCSc1cccc(NC(=O)N2CC[C@@H](N3CC=CC3)C2)c1 104171266 REHQPCAIYZLMDU-OAHLLOKOSA-N 317.458 3.277 0 40 DGAB C[C@H](Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1 25150584 SAJGADALXOFWKI-ZDUSSCGKSA-N 316.368 3.384 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)c1cc(C2CC2)on1 25113119 NCNIBQZUJILIQS-NSHDSACASA-N 300.358 3.394 0 40 DGAB O=C(Cc1cccs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55943981 OTTNGFQTYORLSR-DOTOQJQBSA-N 319.401 3.466 0 40 DGAB N[C@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 37806385 QMBSFYFUSGCJQA-MRXNPFEDSA-N 300.427 3.329 0 40 DGAB CSc1nnc(SCc2noc(-c3ccco3)n2)s1 44406800 ACXNIDMBBJFBGA-UHFFFAOYSA-N 312.401 3.195 0 40 DGAB O[C@@H]1CCCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 69870429 PXOWSMUWMGVLCG-RTBURBONSA-N 312.413 3.054 0 40 DGAB CCN(CCC(=O)O)c1ccc(Br)cc1Cl 20133853 VHDUNPDGQIULHI-UHFFFAOYSA-N 306.587 3.404 0 40 DGAB O=C(N[C@H]1CCN(C2CC2)C1)c1sccc1-c1ccccc1 58393122 BHVLJRSBMGIQHU-AWEZNQCLSA-N 312.438 3.382 0 40 DGAB O=C1c2ccccc2N[C@H](c2cn3ccccc3n2)N1C1CC1 58381539 CCAVBDYAYAETKX-KRWDZBQOSA-N 304.353 3.063 0 40 DGAB C[C@H]1CCc2c(sc3c2c(=O)nc2n3C(=O)c3ccccc3-2)C1 36611801 KDMXEGDBWKGFEI-VIFPVBQESA-N 322.389 3.252 0 40 DGAB CN(C)c1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1 3456119 BNIYZAIKKRUCHN-UHFFFAOYSA-N 301.415 3.340 0 40 DGAB C[C@@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 3598880 CGURFGVHECEFLL-CYBMUJFWSA-N 323.348 3.049 0 40 DGAB CC(C)CNC(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1 12972435 HAIGDNGQVNNQEG-GFCCVEGCSA-N 303.406 3.051 0 40 DGAB CN1N=C(C(=O)Nc2ccccc2Oc2ccccc2)CCC1=O 13002160 BXHZOGDYPZOHMR-UHFFFAOYSA-N 323.352 3.026 0 40 DGAB O=C(O)c1c(Cl)nc(Br)n1-c1ccc(F)cc1 69949634 ARVODKCSKGGHNC-UHFFFAOYSA-N 319.517 3.126 0 40 DGAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1scnc1C 69918214 WJYRYGGXXYVWCG-UHFFFAOYSA-N 313.386 3.051 0 40 DGAB COC(=O)Nc1cccc(NC(=O)NCCOCCC(C)C)c1 69534953 LBZDGGJKDTVJQW-UHFFFAOYSA-N 323.393 3.049 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H]2CCc3ccccc32)s1 14374410 UDLIJIQPEHPCAH-ZDUSSCGKSA-N 300.383 3.124 0 40 DGAB O=C(CCc1ccccc1)N1CCC[C@@H](c2nccs2)C1 171646949 ZUPVHCGYVWLUHY-OAHLLOKOSA-N 300.427 3.482 0 40 DGAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccncc1 15640928 UHJQJHFIFFCRIY-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccc3nsnc3c2)cc1 15841299 HOGRCGMGZJEHRC-UHFFFAOYSA-N 313.382 3.271 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1 7608195 PFNMENJZULIWFT-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB C[C@@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1ccsc1 90955550 KFBBGWFVBIADJS-IUODEOHRSA-N 304.415 3.162 0 40 DGAB Cc1ccc2cc(CN(C)C(=O)c3ccccc3F)c(=O)[nH]c2c1 9233622 AMPHAERJLNRJMY-UHFFFAOYSA-N 324.355 3.248 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)o1 71796463 QMDDBZLWEBXXAH-HIFRSBDPSA-N 301.390 3.060 0 40 DGAB COc1cc2ccncc2cc1OC(=O)c1ccn2cncc2c1 97047410 SRFUDPRTEQFOFB-UHFFFAOYSA-N 319.320 3.110 0 40 DGAB CCN(CC)C[C@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 76089549 LSAZOGMFNKMHGF-UONOGXRCSA-N 308.470 3.092 0 40 DGAB CCCN1CCC[C@H]1c1nc(Cc2ccc(OC)cc2)no1 97164381 FBUBVPDSELLSPM-HNNXBMFYSA-N 301.390 3.216 0 40 DGAB CC(C)n1cc(NC(=O)NCCCOc2ccc(F)cc2)cn1 72309722 RXLPMLGEQHYNQQ-UHFFFAOYSA-N 320.368 3.194 0 40 DGAB CCc1ccccc1NC(=O)C[C@@H](C)NCCc1ccccn1 95419140 IKUGWPNKKYNYIC-OAHLLOKOSA-N 311.429 3.193 0 40 DGAB O=C(C[C@@H]1CCCc2ccccc21)N1CCCC[C@@H](CO)C1 95430142 XPIASBRTLZYMPZ-WBVHZDCISA-N 301.430 3.118 0 40 DGAB C[C@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 95975116 VPKSWWMYZNVSGB-QMMMGPOBSA-N 308.230 3.460 0 40 DGAB CCSc1cccc(NC(=O)N(C)C[C@@H]2CCC[C@H]2O)c1 95974351 PULVWXFEVVHQLG-SWLSCSKDSA-N 308.447 3.423 0 40 DGAB CCc1ccc(C(=O)NCc2ccc(CN(C)C)c(F)c2)s1 89286792 LYDUTSPNBPCMAT-UHFFFAOYSA-N 320.433 3.441 0 40 DGAB C[C@H](Oc1ccc2ccccc2c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 27974698 TZNCEJBBJYGMSQ-KFWWJZLASA-N 313.397 3.243 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCCc2ccc(C(=O)O)cc2C1 1554693386 FYFIUYBRPATIEC-AWEZNQCLSA-N 305.374 3.157 0 40 DGAB COC(=O)C[C@@H](C)SCc1noc(-c2ccc(F)cc2)n1 78812984 HUOIFRMGSQMPTH-SECBINFHSA-N 310.350 3.061 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2cccc(F)c2)c1 33188372 UFCLNIRHFIDDDP-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CN1CCC[C@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 78578588 LWSJRUAVEJFJDH-INIZCTEOSA-N 322.408 3.198 0 40 DGAB Cc1cn2c(CCC(=O)NCCc3cccs3)csc2n1 49422470 ZTRAVGHPJPTRBW-UHFFFAOYSA-N 319.455 3.057 0 40 DGAB Cc1ccc(C)c([C@@H]2CCCN2Cc2nc(C(=O)O)co2)c1 573500278 QFWDALABKVGHPC-HNNXBMFYSA-N 300.358 3.327 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1 85559860 FFOIMBCHDXMJDB-MRXNPFEDSA-N 321.829 3.051 0 40 DGAB CC1(C)Oc2cc(NC(=O)Nc3ccccc3)ccc2NC1=O 46088404 YOTYORZLTSLWCR-UHFFFAOYSA-N 311.341 3.440 0 40 DGAB O=Cc1cc(Br)ccc1N1CCCC(F)(F)C1 95081438 BZRPCBSICYOVAO-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB CCOC[C@H]1CN(Cc2cccs2)Cc2nn(CC)cc21 96068693 YFVONBFNBGDPMT-CYBMUJFWSA-N 305.447 3.100 0 40 DGAB CNC(=O)c1cccc(CCN[C@@H](C)c2ccc(C)s2)c1 96478157 RSWGQFRZWIVKLI-ZDUSSCGKSA-N 302.443 3.309 0 40 DGAB CSC[C@H](C)C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1 96432070 JUYRAROOJIIQRL-STQMWFEESA-N 303.431 3.049 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 96445070 LUBUQENPGSGFQS-DOTOQJQBSA-N 310.397 3.255 0 40 DGAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2csnn2)o1 96433237 UDVJJENWDCGASR-GXFFZTMASA-N 305.403 3.307 0 40 DGAB CCc1cc(C(=O)N(CC)[C@@H](C)c2ccc(F)cc2)cc(=O)[nH]1 96496446 ILCHALYOJUSESU-LBPRGKRZSA-N 316.376 3.300 0 40 DGAB CSc1cc(C(=O)N2CCO[C@@](C)(c3ccccc3)C2)co1 585132557 ZQWJKAYQSXDKBI-QGZVFWFLSA-N 317.410 3.389 0 40 DGAB O=C(CCOc1ccccc1)N1CCC(Cc2ccncc2)CC1 257261404 LHDLSABKYIEAHQ-UHFFFAOYSA-N 324.424 3.332 0 40 DGAB Cc1ncsc1-c1ccc(C(=O)N2CCC(F)(F)CC2)cn1 257221091 DNKVBPFBIJHRML-UHFFFAOYSA-N 323.368 3.385 0 40 DGAB O=C(N[C@@H]1CCN2CCC[C@H]2C1)N(CC1CC1)C1CCCCC1 252487543 YWXCIYZOWCZURQ-AEFFLSMTSA-N 319.493 3.368 0 40 DGAB O=C(NCc1nc(C2CC2)no1)[C@H]1C[C@H]1c1cccc(Cl)c1 64394100 OXWJRVKYTXICKK-STQMWFEESA-N 317.776 3.020 0 40 DGAB Clc1cccc(CN2CCC(n3cncn3)CC2)c1Cl 92648214 GYBIRCSEPGYTGF-UHFFFAOYSA-N 311.216 3.422 0 40 DGAB CCCN(CCC)Cc1nc2ncccn2c1Br 6481498 FQHZVANSFJNLQI-UHFFFAOYSA-N 311.227 3.114 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Cn2nc(C)c(C)c2C)cc1 12420451 DXOMSZYQHDDYPR-LLVKDONJSA-N 313.401 3.286 0 40 DGAB CCCC(=O)N[C@@H](C)Cn1c(C(F)(F)F)cc2cccnc21 19501772 NHJUYINKIPBQQI-JTQLQIEISA-N 313.323 3.360 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1F)OC(=O)C2 999144 AOTMKPMQISHXAF-QGZVFWFLSA-N 302.301 3.032 0 40 DGAB COC(=O)CCCCCCCc1nc(-c2ccccn2)no1 2383533 WIQGRZSBZRKBOX-UHFFFAOYSA-N 303.362 3.188 0 40 DGAB C[C@H](O)CNCc1cccc(OCc2ccccc2Cl)c1 8498042 RTZBRVKLHWKFSR-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB FC(F)(F)c1cccc(N2CC(Cn3cc(Cl)cn3)C2)n1 1889095485 LIDTYSWSNATKLZ-UHFFFAOYSA-N 316.714 3.087 0 40 DGAB COc1ccc(C)cc1N[C@H](C)C(=O)Nc1ccc(Cl)cn1 28805264 HLQAOADRRDOBQZ-LLVKDONJSA-N 319.792 3.491 0 40 DGAB O=C(CCc1cccs1)Nc1cc2c(cc1F)CCC(=O)N2 33218129 MPQFKVKQVDLWMB-UHFFFAOYSA-N 318.373 3.343 0 40 DGAB Cc1ccccc1N1C[C@](O)(c2ccccc2)[N+]2=C1CCCC2 425745 ZYPWJDVVFWQJBI-FQEVSTJZSA-N 307.417 3.255 0 40 DGAB O[C@H](CNC1CCCCC1)COC12CC3CC(CC(C3)C1)C2 10434713 FGPNQVKYXMIMPC-CHNSHAQVSA-N 307.478 3.255 0 40 DGAB Cc1ccccc1OCC(=O)NCC1(c2ccc(F)cc2)CC1 11899812 YKUWONZGIVABOY-UHFFFAOYSA-N 313.372 3.361 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21 73059703 FSIBQVJSWKUDFL-VFZGTOFNSA-N 317.364 3.478 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1 32029499 DJBZQZAHOBLBFL-IAQYHMDHSA-N 323.820 3.444 0 40 DGAB COc1ccc(CCNC(=O)Nc2cccc(OC)c2)cc1 137593 VCCQEIVRABQEQP-UHFFFAOYSA-N 300.358 3.068 0 40 DGAB CN(C)CCC(C(=O)N(C)C)(c1ccccc1)c1ccccc1 1655395 PCDNISCTQCOCTC-UHFFFAOYSA-N 310.441 3.013 0 40 DGAB Cc1c(C)n(C[C@@H](O)CN2CCCC[C@@H]2C)c2ccccc12 2493218 NRYFBXSFQXDNFG-YOEHRIQHSA-N 300.446 3.493 0 40 DGAB Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(=O)[nH]1 4091634 WDCVRKGJHAUZBF-UHFFFAOYSA-N 312.078 3.195 0 40 DGAB CC(=O)N(CCCN(C)C)c1nc(-c2ccc(F)cc2)cs1 4215024 LLHRUUABGFMQOK-UHFFFAOYSA-N 321.421 3.254 0 40 DGAB Cc1nnc(CN2CCC[C@@H]2c2ccc(Br)cc2)o1 52452924 DSGAGTWYFDPNII-CYBMUJFWSA-N 322.206 3.478 0 40 DGAB O=C(CCn1cccn1)Nc1ccc(OCc2ccccc2)cc1 29958051 DYPCUALUKWERJA-UHFFFAOYSA-N 321.380 3.491 0 40 DGAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccco1 8216378 WYUMBSFLGKMTMP-UHFFFAOYSA-N 310.338 3.303 0 40 DGAB O=C(O)[C@H](Cc1ccc(Cl)c(Cl)c1)N1CCCCC1 57630375 ZDRRWGHLTMBMOV-ZDUSSCGKSA-N 302.201 3.475 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)c1C 9062025 KPRLXRBNYNVINI-CQSZACIVSA-N 319.426 3.352 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2N(C)C)cc1OC 23151990 ISVMAPWWHOIDOP-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB CC(=O)c1ccc(OCC(=O)NCc2ccccc2C)c(F)c1 170854407 PESMQYVAIDRIBJ-UHFFFAOYSA-N 315.344 3.032 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)N1CCC[C@@H](C)C1 22989837 GCCDJLFITNWKPX-GFCCVEGCSA-N 315.442 3.289 0 40 DGAB Cc1ccc(CNC(=O)NCCCn2cnc3ccccc32)cc1 54046736 WYQKBQOCVAAPOD-UHFFFAOYSA-N 322.412 3.234 0 40 DGAB O=C(CCC1CCCCC1)NCc1ccc2c(c1)OCCO2 23074238 KIONMUWWAIQUEP-UHFFFAOYSA-N 303.402 3.435 0 40 DGAB O=C(NCC1(c2cccs2)CCOCC1)c1cccs1 23237986 PVIODMJCMXOOFP-UHFFFAOYSA-N 307.440 3.288 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCO1 47600292 RHXDRYOQQRUEKH-CYBMUJFWSA-N 304.390 3.261 0 40 DGAB Cc1cc2nn(-c3ccc(F)cc3)nc2c(Br)c1N 20134543 GEXPQAXWTYOBRK-UHFFFAOYSA-N 321.153 3.213 0 40 DGAB COc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 12531627 PYHDNELYBWIORW-QGZVFWFLSA-N 321.380 3.132 0 40 DGAB CC(C)(C)n1ncc(C(=O)NCc2ccco2)c1C(F)(F)F 1390748 OABMDXOSTJATHR-UHFFFAOYSA-N 315.295 3.180 0 40 DGAB CS(=O)(=O)c1ccc(OCC(=O)c2ccc(Cl)cc2)cc1 35055535 DTIAIEMNHMAYCN-UHFFFAOYSA-N 324.785 3.005 0 40 DGAB Cc1cccc(C)c1NC(=S)N[C@@H]1CCCc2c1cnn2C 44137566 QQEXWBCZPQYKFB-CQSZACIVSA-N 314.458 3.401 0 40 DGAB CCn1cc(CNC(=O)c2cc(SC)ccc2Cl)cn1 27918750 PEUUVILOPWDWKN-UHFFFAOYSA-N 309.822 3.208 0 40 DGAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1C[C@@H](C)O[C@H](C)C1 10091690 DMXIIWGIZUTZPO-GHMZBOCLSA-N 318.804 3.446 0 40 DGAB COc1ccccc1SCc1cc(=O)n2cc(C)ccc2n1 58247257 TXVFZUOIEYFOHJ-UHFFFAOYSA-N 312.394 3.304 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1cc(F)cc(F)c1 12757870 VGEIRAWUADLAIE-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)C(=O)NC2CCCC2)CC1 408707357 NJEBYGYCYBGOIU-UHFFFAOYSA-N 308.466 3.156 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)NCC1(c2ccccc2)CC1 10895433 QDNVJKXGZBDKKZ-UHFFFAOYSA-N 319.408 3.344 0 40 DGAB O=C1N[C@H](c2ccc(OC[C@H]3CCCO3)cc2)Nc2ccccc21 10950906 WGJORPPSGABNPC-CRAIPNDOSA-N 324.380 3.099 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(Oc2ncccn2)cc1 48202778 BZHDLRXONDGZLL-UHFFFAOYSA-N 321.336 3.286 0 40 DGAB CO[C@@H](C(=O)NCCSCc1ccco1)c1ccccc1 408925106 JMLIXFXJRLZEDA-OAHLLOKOSA-N 305.399 3.017 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1F 12889210 TYFMYWWADZKBMX-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)cc1 20001391 RPTKGBBPKSHBTH-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB O=c1c2ccccc2nc(-c2cccc(C(F)(F)F)c2)n1O 4059947 OZLVXONGBHEQRR-UHFFFAOYSA-N 306.243 3.320 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(F)c(C(F)(F)F)c2)on1 65207950 TXHQJZDNVMZELQ-UHFFFAOYSA-N 317.242 3.192 0 40 DGAB O=C(NCCOc1ccc(Cl)cc1)c1ccc(Cl)nc1 18150981 SNFYGCLQNLFKCC-UHFFFAOYSA-N 311.168 3.197 0 40 DGAB O=C(Cc1ccc(Br)cc1)Nc1ccccc1O 14164116 IQRWGLAGZUKCND-UHFFFAOYSA-N 306.159 3.336 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(C)ccc2C)c1C 6583612 NKYPINKBCFNRBV-UHFFFAOYSA-N 300.358 3.287 0 40 DGAB O=C(CN1CCSc2ccccc21)NCc1ccc(F)cc1 5689453 IFBWLPASBZEIGB-UHFFFAOYSA-N 316.401 3.054 0 40 DGAB CCCn1ccc(C(=O)Nc2ccc(N(CC)CC)cc2)n1 28243962 VZSZRHMBOCWKPK-UHFFFAOYSA-N 300.406 3.392 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cccc(Cl)c1 6787457 VLYYYFBQAFAGJA-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1cccc2cc(CN(C(=O)c3ccco3)C(C)C)c(=O)[nH]c12 5818548 LCCMTZGVVVPKBL-UHFFFAOYSA-N 324.380 3.480 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc3[nH]ncc23)C[C@@H](c2ccccc2)O1 67827972 ISEMPBMRSHLCMX-ACJLOTCBSA-N 321.380 3.165 0 40 DGAB O=c1c2ccsc2ncn1Cc1ncc(-c2ccccc2)o1 7495159 ASGPDYGWUNSUKN-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CCOc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N(C)C)c1 15860141 LYFAOHHYZVQPHD-INIZCTEOSA-N 316.401 3.019 0 40 DGAB O=C(NC1(c2ccccc2)CC1)c1occc1Br 81081598 OSIWEUIQHZUKEG-UHFFFAOYSA-N 306.159 3.461 0 40 DGAB CN(Cc1ccc(-n2cccn2)cc1)Cc1ccc2c(c1)OCO2 16351979 JPJTWTAYWXMANA-UHFFFAOYSA-N 321.380 3.233 0 40 DGAB Clc1ccc2c(c1)CN(Cc1ccc3c(c1)OCO3)CO2 19624897 DGDLDHDECSJLSI-UHFFFAOYSA-N 303.745 3.421 0 40 DGAB C[C@@H](c1ncc(-c2ccccc2)o1)N1CCC(c2nc[nH]n2)CC1 83424627 HIGOBGWUIDFDNH-ZDUSSCGKSA-N 323.400 3.400 0 40 DGAB Cc1nnc2n1CCN([C@H](Cc1ccccc1)c1ccccc1)C2 71871940 FMKNJHBEKWFOLP-LJQANCHMSA-N 318.424 3.386 0 40 DGAB COC[C@@H](NC(=O)N[C@H]1CCc2c(F)cccc21)c1ccco1 83897941 WWDNWYNFTOGGHE-LSDHHAIUSA-N 318.348 3.093 0 40 DGAB Cc1nn(C)c(Oc2cccnc2)c1CNc1ccc(F)cn1 97045345 AACSXMDHGVSCJP-UHFFFAOYSA-N 313.336 3.062 0 40 DGAB COC(=O)Nc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 97037474 QTLHCMGFLGUBDY-ZNMIVQPWSA-N 302.374 3.234 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@@H]1CC=CCC1 75602234 HJILJVSQZCZIAC-OLZOCXBDSA-N 307.825 3.402 0 40 DGAB CCN(CC)C[C@@H]1CCN([C@@H](C)c2nc(C(C)(C)C)no2)C1 76089546 LSAZOGMFNKMHGF-KBPBESRZSA-N 308.470 3.092 0 40 DGAB CC(C)[C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCS1 76064617 LNOXHCVNLMNULY-INIZCTEOSA-N 302.443 3.102 0 40 DGAB O=C(NCCCc1nc2ccccc2s1)c1cccc(F)n1 95448743 RKIIWQXPLGWTJU-UHFFFAOYSA-N 315.373 3.193 0 40 DGAB COc1ccc2c(c1)OCC[C@@H]2Nc1nc(C2CC2)ns1 95408645 MKYBUXFQAIBEIY-LBPRGKRZSA-N 303.387 3.360 0 40 DGAB O=c1[nH]c(N[C@H]2CCC[C@@H](C(F)(F)F)C2)nc2ccccc12 97994983 FZEIKMFYOGLYDG-ZJUUUORDSA-N 311.307 3.456 0 40 DGAB C[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1nc2ccccc2s1 78714101 GNWIMKKXAKNHQY-STQMWFEESA-N 318.442 3.475 0 40 DGAB Cc1ccc(C)c(OC2CCN([C@H]3CCCC[C@H]3O)CC2)c1 95975617 BZUJULODEPSJMM-ZWKOTPCHSA-N 303.446 3.450 0 40 DGAB CC1(C)C[C@@H]1C(=O)N1CCc2c(ncn2CCc2ccccc2)C1 95987009 MPLNHARZVYAOFJ-MRXNPFEDSA-N 323.440 3.057 0 40 DGAB CC(C)(CNC(=O)[C@@H]1CCn2cncc2C1)C1CCCCC1 95980222 JQTCYYLBUUPYNL-CQSZACIVSA-N 303.450 3.168 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)OCc2nc(C)c(C)s2)c1 78949017 CUGPVNSVSFSSMA-UHFFFAOYSA-N 322.361 3.214 0 40 DGAB CC[C@@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCS1 78950569 POGFFSRKUDWQQR-CYBMUJFWSA-N 307.394 3.203 0 40 DGAB O=C([C@@H]1CCCO1)N1CCCCC[C@H]1C[C@@H](O)c1cccs1 79066493 GYCFFTUWMQIGQZ-ZNMIVQPWSA-N 323.458 3.122 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1 20141845 DQXDALDNIDKXNE-UHFFFAOYSA-N 313.353 3.353 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(Cc2ccccn2)C3)c1 306137687 RDDMJTOQDCLLGU-UHFFFAOYSA-N 304.397 3.269 0 40 DGAB COc1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)c2ccccc12 32401070 NIIUMPLFCILAPN-CYBMUJFWSA-N 319.426 3.269 0 40 DGAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)c(C)c1 409221263 NQWOSEMCRIPFHS-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB Cc1cc(C(F)(F)F)nc(N[C@H](C)Cn2nc(C)cc2C)n1 36613338 DRHMWGWWFTYEPL-SNVBAGLBSA-N 313.327 3.118 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2cccc(OC)c2)cc1C 32585482 JKKFABVIVJTKHV-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB Cc1oncc1C(=O)N1CCS[C@H](c2cccs2)CC1 219517244 UHXPZMFTZLGTIQ-ZDUSSCGKSA-N 308.428 3.365 0 40 DGAB Nc1ccncc1-c1cc(NCc2ccccn2)nc2[nH]ccc12 72143511 RMNULZJHCHJYFZ-UHFFFAOYSA-N 316.368 3.214 0 40 DGAB CN1/C(=C\C(=O)Nc2cccnc2)c2ccccc2CC1(C)C 31849108 JRZRHTCVDUBSLD-BOPFTXTBSA-N 307.397 3.328 0 40 DGAB Cc1nc(NC(C)C)c2nnn(Cc3ccccc3Cl)c2n1 35314831 BVRMIZVZUYFBDA-UHFFFAOYSA-N 316.796 3.052 0 40 DGAB CC(=O)N1CCC(c2csc(Nc3ccc(F)cn3)n2)CC1 72368115 XWFUUNYHQGFTPU-UHFFFAOYSA-N 320.393 3.147 0 40 DGAB O=C(NC[C@@H](O)c1c(Cl)cccc1Cl)c1ccoc1 77648495 ZNENIXNQXLQCCX-LLVKDONJSA-N 300.141 3.050 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2CNC(=O)OC(C)(C)C)c(C)o1 81342296 YBNURKMSZQGWCD-ZDUSSCGKSA-N 322.405 3.026 0 40 DGAB COc1ccc2nc(NC3=NC(C)=CC(C)(C)N3)nc(C)c2c1 575443907 VSWPLLTXGAHCNQ-UHFFFAOYSA-N 311.389 3.000 0 40 DGAB CCc1ccc(C(=O)OCc2csc(NC(C)=O)n2)cc1 9951817 YNRNGDAOUKINSX-UHFFFAOYSA-N 304.371 3.021 0 40 DGAB O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1cc(-c2ccccc2)ns1 225595736 WPJFWQHMGSKREA-DGCLKSJQSA-N 317.414 3.093 0 40 DGAB S=C(Nc1ccc(Oc2ccccc2)nn1)NC1CCCC1 225187157 UGYZPKGHTIFCRL-UHFFFAOYSA-N 314.414 3.498 0 40 DGAB CC(C)n1cccc1[C@H]1[C@@H](c2ccccn2)NC(=S)N1C 222748944 UPTNKTAJSWSRIP-CABCVRRESA-N 300.431 3.066 0 40 DGAB CCOC(=O)c1cc(NC(=O)C2(C)CCCC2)ccc1OC 225787629 KJXFFWKGWQWVJI-UHFFFAOYSA-N 305.374 3.391 0 40 DGAB Cc1cc(C)nc(Nc2ccccc2C(=O)NCc2ccco2)n1 225917236 RVNRANZDQCGMLK-UHFFFAOYSA-N 322.368 3.360 0 40 DGAB COC1CCN(CCNC2c3ccccc3-c3ccccc32)CC1 195555517 XTCXFOVHPIDNIE-UHFFFAOYSA-N 322.452 3.457 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2cccc(OC)c2)cc1N 226267902 VAMNFMALHTULGV-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB CCc1cc(CNC(=O)Nc2cccc(CSC)c2)on1 96421966 WSPSISAGYXLBHH-UHFFFAOYSA-N 305.403 3.422 0 40 DGAB CN1C(=O)C[C@@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 96061429 FRVHZOKTRBPGRV-SFHVURJKSA-N 324.424 3.260 0 40 DGAB Cn1c(CN[C@@H]2CCO[C@@H]2c2ccccc2)nc2ccccc21 96447537 CJTQCXZRSJKVRQ-VQIMIIECSA-N 307.397 3.193 0 40 DGAB CS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96416529 NMGOODCEZJKAMA-GJZGRUSLSA-N 306.431 3.049 0 40 DGAB COC(=O)c1cc2c(Cl)nccc2n1C(=O)OC(C)(C)C 95642987 QOJGQNHTEGTDTR-UHFFFAOYSA-N 310.737 3.260 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cn(C)c3ccccc23)C1 257262626 LMDAQHSLUKOHEJ-CQSZACIVSA-N 322.412 3.230 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1cc2ccccc2o1 43282942 AKTJTKCTLUOSHV-CQSZACIVSA-N 311.341 3.061 0 40 DGAB Cc1ccc(C(=O)C(=O)Nc2cnn(Cc3ccccc3)c2)cc1 69518399 RHPYWLOWQWLMMB-UHFFFAOYSA-N 319.364 3.061 0 40 DGAB COc1ccc(NC(=O)C[C@H](CC(=O)O)c2ccccc2)cc1 152781 KZHZIPGFHPRPGL-CQSZACIVSA-N 313.353 3.282 0 40 DGAB c1ccc2oc([C@H]3CCCN(C[C@H]4CCCOC4)C3)nc2c1 675515988 UHOZUKMGDZCKOK-CABCVRRESA-N 300.402 3.434 0 40 DGAB C[C@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(F)cc1 5118020 ATIAVQMGXWMCOT-JTQLQIEISA-N 305.280 3.149 0 40 DGAB CC[C@]1(c2ccc(Cl)cc2)O[C@H](COC(N)=O)CS1 5468379 FINMYRAPEGYUCL-YPMHNXCESA-N 301.795 3.130 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ncccc3C)cc2)n1 19160423 BPEVDZJIHNLORA-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1ccc2sc(NC(=O)Cc3c(C)noc3C)nc2c1 19580548 PSXMLNWVNSWNSI-UHFFFAOYSA-N 317.370 3.091 0 40 DGAB COc1cc(CNc2ccccn2)cc(Br)c1OC 19777099 AJXLEGJJULGWSA-UHFFFAOYSA-N 323.190 3.473 0 40 DGAB O=C(c1cnc[nH]1)N1CCC[C@@H](Cc2cnc3ccccc3c2)C1 1848355503 FXAXVMOIPLRTST-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2ccncc2)c1 1776008800 NVHGMFNYDYZUOO-XYPWUTKMSA-N 302.809 3.300 0 40 DGAB O=CNCCCc1nc2ccccc2n1/C=C\Cc1ccccc1 7547279 ZFPJVPHQINILNW-CHHVJCJISA-N 319.408 3.428 0 40 DGAB Cc1cccc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)c1 13011229 LYIYHVKMCKZPHU-INIZCTEOSA-N 302.443 3.018 0 40 DGAB O=C(/C=C/c1ccncc1)NCCOc1ccc2ccccc2c1 32370314 XMADZRFUNVYOBL-VMPITWQZSA-N 318.376 3.443 0 40 DGAB CCCCCn1ccc(=NC(=O)c2ccccc2C(=O)O)cc1 135596465 CXQJRTINIHVNKN-UHFFFAOYSA-N 312.369 3.118 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2ccnc(N3CCCC3)c2)cc1 30012232 XTIJFJDNXVDVTG-CMDGGOBGSA-N 321.424 3.320 0 40 DGAB COc1ccc(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cn1 40012163 ZNQXZYYOMGBSTK-RISCZKNCSA-N 300.358 3.378 0 40 DGAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1nnc(C2CC2)s1 40105504 XIATYTRNVGPZNN-CMPLNLGQSA-N 324.450 3.132 0 40 DGAB CC[C@H](CNC(=O)NC1CCCC1)N1CCc2ccccc2C1 31050190 NOAQQSGYKOSLFL-GOSISDBHSA-N 315.461 3.065 0 40 DGAB O=C(Nc1ccc(OC2CCCC2)cc1)N1CCC(CO)CC1 40540580 YJAMRLNNZZWOFB-UHFFFAOYSA-N 318.417 3.244 0 40 DGAB COc1cccc(C(=O)Nc2cccc(Cn3cccn3)c2)c1 31968841 YGRBIBKMJMPFJT-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB Cc1ccc2ncn(C[C@@H](O)c3ccc(Cl)cc3)c(=O)c2c1 51374225 FSVYMRNZGFIMRY-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB COc1ccc(-c2csc(NC(=O)C(F)(F)F)n2)cc1 279021 MLSUDEIGXKURPT-UHFFFAOYSA-N 302.277 3.320 0 40 DGAB COc1ccc(OC)c(NC(=O)COc2cc(C)cc(C)c2)c1 516381 SNVOGSWNPVRRQM-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CCOC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 1666061 BICZTUOPROFDRM-UHFFFAOYSA-N 321.421 3.152 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)/C=C/c2sccc2C)c1 32359242 FMQBARFLWXAZIN-VOTSOKGWSA-N 314.410 3.345 0 40 DGAB COc1ccc(NC(=S)NC(=O)/C=C/c2ccccc2)cc1 346478 DXYHCXGLMOJNDC-KPKJPENVSA-N 312.394 3.222 0 40 DGAB COc1ccccc1NC(=O)CCc1ccc(OC)c(OC)c1 3481766 YVUSEGJLKZAPAM-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CCN(CC)C(=S)NC(=O)c1ccc(Cl)cc1Cl 358845 BZNDPJVEPAODLF-UHFFFAOYSA-N 305.230 3.350 0 40 DGAB CC(C)N(C(=O)c1ccccc1-c1ccnc(CO)c1)C(C)C 32537163 OKEFUWWWTZDBMR-UHFFFAOYSA-N 312.413 3.500 0 40 DGAB CC(C)c1noc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 32633059 VHXFTTSCMBDMNM-UHFFFAOYSA-N 317.433 3.211 0 40 DGAB Cc1nnc2c3ccccc3nc(Nc3ccc4c(c3)OCO4)n12 7500026 PKVIALQETANICN-UHFFFAOYSA-N 319.324 3.058 0 40 DGAB O=C(CSCc1ccc(Cl)cc1)Nc1ncccc1O 37124265 VNYMIBATRPSDCO-UHFFFAOYSA-N 308.790 3.313 0 40 DGAB C=C(c1ccccc1OCC(=O)NC(CC)CC)n1ccnc1 22609479 OFVWMZPVKRDEQC-UHFFFAOYSA-N 313.401 3.086 0 40 DGAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 70172780 PATYZPHLABXJRK-NXEZZACHSA-N 301.217 3.193 0 40 DGAB O=C(CCn1cncn1)Nc1nc2ccc3ccccc3c2s1 32901084 SHPFDQXLOCTXJH-UHFFFAOYSA-N 323.381 3.070 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100848479 XSCPMNSNLVUERI-QZTJIDSGSA-N 309.450 3.249 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2)cc1 2742427 ORLUFMNUIQOABI-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)c1ccc(Br)s1 33207091 ZWTNNGZZPJMQSX-MRVPVSSYSA-N 314.204 3.465 0 40 DGAB COC(=O)[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)C(C)C 541086 IDENXGUBKDICRQ-NSHDSACASA-N 318.295 3.025 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cccs3)C2)c1 521550 SRVARFZNDNULDW-HNNXBMFYSA-N 300.383 3.454 0 40 DGAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccc(F)cc1 533280 YVVMNPLOWOXKSF-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB O=C(NCC1CC1)c1cc(-c2ccncc2)nc2ccccc12 22971826 ZWZNBVOBFAIWPD-UHFFFAOYSA-N 303.365 3.437 0 40 DGAB COc1ncccc1CNC(=O)c1cc2c(F)cccc2s1 23101777 VOBCIWZMYGJJTG-UHFFFAOYSA-N 316.357 3.374 0 40 DGAB CCN(CC)[C@@H]1CCN(C(=O)Nc2c(C)nn(C(C)C)c2C)C1 76066682 GBRDOPUOFHAYIX-OAHLLOKOSA-N 321.469 3.029 0 40 DGAB O=c1[nH]c(CN2CCC[C@H]2c2ccccc2)nc2ccccc12 24031701 GDZFLVFHDZPYED-KRWDZBQOSA-N 305.381 3.260 0 40 DGAB CN(CCCNc1ccccc1)C(=O)c1ccc(Cl)cn1 77003944 CBDNPVHOPZHDLV-UHFFFAOYSA-N 303.793 3.309 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)s1 47644147 YGXZBZCDPLUGTC-NEPJUHHUSA-N 307.415 3.330 0 40 DGAB CC(=O)Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)cc1 3116944 BMHWRKGDAHYRCK-UHFFFAOYSA-N 313.376 3.111 0 40 DGAB Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(C(F)(F)F)n1 1405872 HDVRDJIOZFQCAY-UHFFFAOYSA-N 303.671 3.345 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2C[C@H](C)CC[C@H]21 106830670 VLGGSSPYQQXWST-SRCQZFHVSA-N 303.450 3.007 0 40 DGAB c1ccc(Cn2ncc3c2CCC[C@H]3NCc2cccnc2)cc1 27223073 BOWNJPIETUBGAP-LJQANCHMSA-N 318.424 3.494 0 40 DGAB C[C@@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(C)C 10876371 DTRRZBKXLCNVGF-SNVBAGLBSA-N 309.822 3.095 0 40 DGAB CCCCc1nnc2sc(-c3cc(OC)cc(OC)c3)nn12 11278002 ICIXZZPCSHHWKL-UHFFFAOYSA-N 318.402 3.213 0 40 DGAB COc1cccc(CC(=O)NCc2nc(C(C)(C)C)cs2)c1 69588913 GXOWFNRRKVGBJS-UHFFFAOYSA-N 318.442 3.308 0 40 DGAB CCOc1ccccc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 13253667 VGLMKQBGKBQGMK-CQSZACIVSA-N 313.353 3.282 0 40 DGAB CCc1c(C)sc(NC(=O)c2ccc(C)cc2)c1C(N)=O 6122960 NEIFUDUHMCGXQU-UHFFFAOYSA-N 302.399 3.279 0 40 DGAB CCOC(=O)CN(CC1CC1)c1ncnc2sc(C)c(C)c12 89983724 IDIZRTDDUZOLMK-UHFFFAOYSA-N 319.430 3.088 0 40 DGAB COc1ccc(CNC(=S)NCCCc2ccccc2)cc1 6875936 POUIBCADRFZACA-UHFFFAOYSA-N 314.454 3.292 0 40 DGAB CCn1cc(CN[C@H]2CCCc3c2cnn3C(C)(C)C)cn1 75610580 ALRJYMNSDHPRNU-HNNXBMFYSA-N 301.438 3.022 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)c1c(F)cccc1Cl 65224820 OWRMATVVGAHVJP-UHFFFAOYSA-N 320.755 3.122 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NC1CCCCC1 8007393 YUEYIRZSSSOADA-YOEHRIQHSA-N 316.445 3.280 0 40 DGAB Clc1cccc(CSc2nnc(C3CCNCC3)o2)c1 8039418 IAELPPLQDAJUTR-UHFFFAOYSA-N 309.822 3.482 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)COC1CCCCC1 71870346 KGWBBBOESQKURC-MRXNPFEDSA-N 319.449 3.050 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccc(Cl)o2)n1 71870122 PPTBMRSZUJENLT-LBPRGKRZSA-N 307.781 3.051 0 40 DGAB Cc1ccc(CN(C(C)C)S(=O)(=O)[C@H](C)C(F)(F)F)o1 96502934 LBEKEAVZQDHWQU-SNVBAGLBSA-N 313.341 3.079 0 40 DGAB CCCCN(C)CC1CCN(C(=O)/C=C/c2nccs2)CC1 71903991 ZUAMUYZHXNGFDB-AATRIKPKSA-N 321.490 3.127 0 40 DGAB O=C1N[C@@H](c2cc(Br)ccc2F)Nc2ccccc21 9616522 YIJDZFZRAYCIQH-ZDUSSCGKSA-N 321.149 3.442 0 40 DGAB Cc1nnc(COc2ccc(NC(=O)c3occc3C)cc2)o1 72283496 BPCXIIVDQFDTBY-UHFFFAOYSA-N 313.313 3.111 0 40 DGAB CN(Cc1ccco1)C(=O)c1csc(Nc2ccccn2)n1 72290162 BLHJIZWSOSPQAT-UHFFFAOYSA-N 314.370 3.147 0 40 DGAB CC(C)(C)Sc1ccc(NC(=O)NCCc2nc[nH]n2)cc1 84240998 JSCKEXBGKILBDV-UHFFFAOYSA-N 319.434 3.060 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1C(=O)NCc1cccs1 78868963 CWHJOJLSDQLVGR-OLZOCXBDSA-N 324.446 3.058 0 40 DGAB CCN(C(=O)c1cccnc1C)[C@@H]1CCN(Cc2ccccc2)C1 97137919 CMAAVFBAVXTVQF-GOSISDBHSA-N 323.440 3.127 0 40 DGAB Cc1cnc(CNC(=O)N[C@@H]2COc3c2ccc(C)c3C)s1 78941199 YKANUGJJKQSFRS-CYBMUJFWSA-N 317.414 3.001 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCC[C@H]1CCCCO1 97376696 SCENXJUGFPZAGB-SMDDNHRTSA-N 309.410 3.001 0 40 DGAB CCC[C@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 95392609 OVRAQZJKOKFCDK-UWVGGRQHSA-N 324.475 3.161 0 40 DGAB CCOc1ccc(CNc2cnc3c(c2)COCC3)cc1OC 95464346 RYGAAUAPAZGPBN-UHFFFAOYSA-N 314.385 3.174 0 40 DGAB Cc1ccc([C@H]2CCCN2[C@@H](C)C(=O)NCC(F)(F)F)s1 95430696 YLRHGBYKXUDKLK-WDEREUQCSA-N 320.380 3.260 0 40 DGAB CC/C=C(\C)C(=O)N1CCC[C@@H](c2nnc3n2CCCCC3)C1 98054732 WSDTWCJYZPDCAE-UJMHRVFCSA-N 316.449 3.067 0 40 DGAB Cc1nc(C)n(C[C@@H](O)Cn2c3ccccc3c3ccccc32)n1 89201634 YBPLZMLQORNHMQ-HNNXBMFYSA-N 320.396 3.064 0 40 DGAB COCc1csc(NC(=O)[C@@H](C)OC2CCCCCC2)n1 89598237 LEQBVUCFTWABDC-LLVKDONJSA-N 312.435 3.356 0 40 DGAB Cc1ccc(C(=O)N[C@@H](CC(C)C)c2cccs2)c(=O)[nH]1 75121307 UZURXPZEBZMYNM-ZDUSSCGKSA-N 304.415 3.262 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc3cnccc23)cc1 28248539 SKFLGYZBALISPH-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc(C(=O)O)c(Cl)c1 20144601 KBSAQMWCNQCWFB-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](Cc2cccc3ncccc23)C1 72367660 GRGWGASRCIZMGO-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB Cn1nc2c(c1NC(=O)COc1ccc3ccccc3c1)CCC2 38884749 OAEIHDVYVJKULH-UHFFFAOYSA-N 321.380 3.080 0 40 DGAB CN(C)c1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72212636 OMPGSHBNDCOVHT-UHFFFAOYSA-N 321.421 3.025 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc(OC)c(C)c2C)cc1 74935889 JPFHEINJQVPYIZ-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Cc1nc(C(=O)N(C)[C@@H](C)CC(C)C)nn1-c1ccc(F)cc1 32788247 NPKAMTJKLMGPIW-LBPRGKRZSA-N 318.396 3.221 0 40 DGAB CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCOCC1 72216244 PVTQZNJHLHMHTN-QGZVFWFLSA-N 303.450 3.101 0 40 DGAB CN(CCc1ccncc1)C[C@H]1CCN(Cc2ccccc2)C1 76110168 WUHWNIFQFSHNLG-HXUWFJFHSA-N 309.457 3.078 0 40 DGAB O=C(COc1cccnc1Cl)NCc1ccc(Cl)s1 77493919 QTKVQYGZOJDVPH-UHFFFAOYSA-N 317.197 3.145 0 40 DGAB Cc1c(F)cccc1NC(=S)Nc1ccc(C(N)=O)cc1 71325993 AONFQIYTUZQHHF-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(CCOC[C@@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1 76934298 JKABVUPBAQBQRF-HNNXBMFYSA-N 323.820 3.031 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 45673313 NSNWSXPGDUQZOS-OAHLLOKOSA-N 312.373 3.295 0 40 DGAB COC(=O)c1ccc(C(=O)c2ccc(Br)cc2)o1 85394318 CLUKNEIGLORIJN-UHFFFAOYSA-N 309.115 3.060 0 40 DGAB Cn1cc(-c2nc(-c3cccc(F)c3)no2)c2ccccc2c1=O 568136298 OORDSVARCZKWCH-UHFFFAOYSA-N 321.311 3.395 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1ccc2oc(=O)ccc2c1 40155123 ZLSSDBDRWRFPMW-UXBLZVDNSA-N 321.332 3.454 0 40 DGAB O=C(NCc1cnn2c1CCCC2)c1cccc2ccccc12 225609369 SMFARVUZPXLACW-UHFFFAOYSA-N 305.381 3.303 0 40 DGAB Cc1cccc(O[C@@H]2CCCC[C@H]2NC(=O)c2ccon2)c1 133591698 YZVQNYIBNUTMIR-GDBMZVCRSA-N 300.358 3.103 0 40 DGAB CCOc1ccc(C[C@@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225107719 MYIGKCWMFCBIOW-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB O=C(Nc1ccccc1F)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345220 PUHLOODHUJZMOU-CHWSQXEVSA-N 313.328 3.339 0 40 DGAB O=C1C[C@@]2(CCN(Cc3ccco3)C2)CN1c1cccc(F)c1 96050710 HRLNSEFCTRTQDX-GOSISDBHSA-N 314.360 3.048 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@@]1(C)CC(c2cccc(F)c2)=NO1 96192981 MXQRLSWIWVWBPK-YVEFUNNKSA-N 304.365 3.110 0 40 DGAB CO[C@@H]1CCN(C(=O)N2CCCC2)C[C@@H]1Cc1cccc(C)c1 96110220 RRJDKXJZGVMMMW-ZWKOTPCHSA-N 316.445 3.090 0 40 DGAB O=C(NCc1cccnc1)Nc1nc(Cc2ccccc2)cs1 96502477 PBVVSQZTRYZLCW-UHFFFAOYSA-N 324.409 3.451 0 40 DGAB CCOC[C@@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)N1C 96209495 BYZNTICMTORODL-INIZCTEOSA-N 306.450 3.053 0 40 DGAB CCOC[C@H]1CCC2(CCN(Cc3ccc(C)o3)CC2)N1C 96209496 BYZNTICMTORODL-MRXNPFEDSA-N 306.450 3.053 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@H]1N3C(=O)C(C)C)O2 248333359 JXZYYFPMWQQSMX-OMWUSAIZSA-N 313.397 3.118 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1c1ccn[nH]1 257212869 CFGQRBDZCXVNHH-ZDUSSCGKSA-N 301.415 3.327 0 40 DGAB CC(C)c1c(C(=O)N2CCC[C@@H]3C[C@H]32)cnn1-c1ccccn1 585082209 DLLUDVJXTXPMLC-UKRRQHHQSA-N 310.401 3.015 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1cnccn1)CCCC2 257233187 GOESQTDJANKPSU-OAHLLOKOSA-N 311.385 3.234 0 40 DGAB c1ccc([C@@H]2CN(Cc3ccc4ccccc4n3)CCO2)nc1 257209918 BSKUARWEBDUPMP-IBGZPJMESA-N 305.381 3.203 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 257227480 FPMPVCYEPSBYPI-KRWDZBQOSA-N 309.413 3.124 0 40 DGAB O=C(CC1CCC1)Nc1ccc(I)cc1 61712 SNGADVVCMULKLL-UHFFFAOYSA-N 315.154 3.420 0 40 DGAB COc1cc(C)c(NC(=O)NC2CCC(C(=O)O)CC2)cc1C 263078203 QVIDWKVVZUHKCM-UHFFFAOYSA-N 320.389 3.077 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccccc1Cl 390825878 LTCNKPJBQVKTKQ-ZDUSSCGKSA-N 319.792 3.358 0 40 DGAB COC(=O)CCCC(=O)c1c(F)cc(Br)cc1F 575362214 AEINVKKAKCRQRQ-UHFFFAOYSA-N 321.117 3.253 0 40 DGAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)OC[C@@H]1CCCCO1 58323782 ZNLIBVOAJZJPON-CABCVRRESA-N 321.417 3.387 0 40 DGAB C/C=C/C=C/C(=O)NCC1CCN(Cc2cccs2)CC1 58300332 XSJPPONDXRPPDZ-AOGGBPEJSA-N 304.459 3.209 0 40 DGAB NC(=O)[C@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 58342853 MCKFTKQQNWIUDJ-MRXNPFEDSA-N 315.394 3.167 0 40 DGAB COc1c(CN[C@H]2CCSc3ccccc32)c(C)nn1C 58405274 XVGIBMOAXWHVHH-AWEZNQCLSA-N 303.431 3.064 0 40 DGAB Cc1ccsc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1 66797849 HOCROEWEKGWSAT-UHFFFAOYSA-N 301.371 3.052 0 40 DGAB CC(C)(C)c1ncc(NC(=O)C2=NO[C@H](c3ccccc3)C2)cn1 68125029 YLPBRQMBJNNSJY-HNNXBMFYSA-N 324.384 3.230 0 40 DGAB O=C(CCc1ccc(F)c(F)c1)N1CCCc2ncccc21 69533987 NLWSBDRGVKUNPV-UHFFFAOYSA-N 302.324 3.272 0 40 DGAB O=C(NCc1ccc(Cl)cc1)N[C@@H]1CCC12CCOCC2 585409949 XLKXHCLHHJDSDU-CQSZACIVSA-N 308.809 3.098 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 14006931 OGYHZEBOBSHPSV-ZDUSSCGKSA-N 303.789 3.466 0 40 DGAB Fc1ccccc1CNC(=S)Nc1ccc2c(c1)OCCO2 17450713 XGCVGYZPWJFAEC-UHFFFAOYSA-N 318.373 3.084 0 40 DGAB CC[C@@H](NC(=O)COc1ccc(F)cc1)c1ccc(OC)cc1 18131626 LTFPENUFEMMGMB-QGZVFWFLSA-N 317.360 3.481 0 40 DGAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2Cc1ccccc1C 19712367 QWSILZJVRWQTHU-RBUKOAKNSA-N 300.446 3.360 0 40 DGAB CSc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1 150747624 CDTLUUCEAMFMQL-UHFFFAOYSA-N 311.403 3.373 0 40 DGAB Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccc(C)cc23)cc1 5928854 QVGMCDLRKDXWBB-GOSISDBHSA-N 324.405 3.188 0 40 DGAB COc1ccccc1O[C@H](C)CNC(=O)C1(C)C[C@H]2C[C@@H]2C1 551527372 LXQZTTRDQJVVIV-MGPQQGTHSA-N 303.402 3.015 0 40 DGAB C[C@@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1 9157603 XVVUCOWRNUTUIO-OAHLLOKOSA-N 310.397 3.013 0 40 DGAB COCc1cc(=O)n2nc(-c3ccc(C(C)(C)C)cc3)cc2[nH]1 49499 YYWLRITVJCVDAR-UHFFFAOYSA-N 311.385 3.134 0 40 DGAB CCOc1cc(C=O)ccc1OCCCN1CCC(C)CC1 8731568 NGWDYXSREFEQQL-UHFFFAOYSA-N 305.418 3.399 0 40 DGAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc1 182140 KTWLLTABJLSWTN-BDJLRTHQSA-N 316.401 3.219 0 40 DGAB COc1cc(-c2cc(O)c3c(C)oc(C)c3c(=O)c2)ccc1O 112050 ZZCKKCQRKVKLRP-UHFFFAOYSA-N 312.321 3.497 0 40 DGAB biogenic CCOC(=O)C1CCN(C(=O)Nc2cccc(CC)c2)CC1 40526334 PZINOOIFOQESAI-UHFFFAOYSA-N 304.390 3.056 0 40 DGAB Cc1ccc(-c2csc3ncnc(N4CCN(C)CC4)c23)cc1 98372 LKYBZUJEULIZMU-UHFFFAOYSA-N 324.453 3.419 0 40 DGAB C[C@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 7909494 JQPAOZNKGZHIQG-HNNXBMFYSA-N 322.408 3.300 0 40 DGAB CN(C)c1ccc2c(c1)Cc1cc(NC(=O)CCC(=O)O)ccc1-2 1602194 HYLYKWYMZCSEEJ-UHFFFAOYSA-N 324.380 3.127 0 40 DGAB CN(C[C@@H](O)CN1CCCc2ccccc21)C1CCCCC1 1688976 DRFCVARXMUVTPU-GOSISDBHSA-N 302.462 3.065 0 40 DGAB O=C(O)c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 2564334 PBBZNGXSQJMZHF-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB Cc1ccc(S(=O)(=O)Oc2cccc3c2CCC3=O)cc1F 32410634 SCSDHXNLLFISJE-UHFFFAOYSA-N 320.341 3.031 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(C(F)(F)F)cc1)[C@H]1C=C[C@H]2C1 102024085 BSEVBIJSEUMTNE-VDUILEQBSA-N 307.271 3.017 0 40 DGAB CN1CCCN(C(=S)Nc2cccc(C(F)(F)F)c2)CC1 2647263 NHKWXNKTRUHFTM-UHFFFAOYSA-N 317.380 3.040 0 40 DGAB CC(=O)Nc1ccccc1OCc1ccc(-n2cccn2)cc1 21367077 FUCBXBTUXBWASL-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB COC(=O)c1cccc(NC(=O)COc2ccccc2C)c1C 6479538 FUNFSOJCHDDWLS-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1nnc(SCC(=O)N[C@@H]2CCCc3ccccc32)s1 2647003 MYLWCSJFNOOYOF-CYBMUJFWSA-N 319.455 3.132 0 40 DGAB CC(C)C[C@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 10958932 VMAGCWRRZWMROD-INIZCTEOSA-N 308.385 3.475 0 40 DGAB COc1cc(CNC[C@@H](O)c2ccccc2)cc(Cl)c1OC 22076102 YOEJTRBSWUDLSM-OAHLLOKOSA-N 321.804 3.180 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(F)c1 9140244 QSWVMSUBJUPOGG-UHFFFAOYSA-N 318.373 3.270 0 40 DGAB CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1ccccc1 9280554 HQGZKJJMEITQCG-SJORKVTESA-N 309.365 3.462 0 40 DGAB Cc1cc(NC(=O)c2ccc(Cl)c3cccnc23)n(C)n1 41830197 VJHDBUJUYUPJJI-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1ccncc1 54219192 SAOOYZODHNZQSY-CQSZACIVSA-N 316.430 3.102 0 40 DGAB CCOC(=O)Cn1c(-c2cccnc2Cl)nc2ccccc21 1386035 QGNNFPCGFZJHSZ-UHFFFAOYSA-N 315.760 3.315 0 40 DGAB Cc1nc(NCC2(Cn3ccnc3C)CC2)c2ccsc2n1 55385103 LLSCBRBYPQSXFD-UHFFFAOYSA-N 313.430 3.397 0 40 DGAB Cc1ccccc1C[C@@H](C)NC(=O)Cc1noc2ccccc12 55556016 BVPMTTBNYLREGQ-CQSZACIVSA-N 308.381 3.426 0 40 DGAB COc1c(Br)cc(C)cc1C(=O)N1CCCCC1 57339360 QNGFTKHCTYDBDB-UHFFFAOYSA-N 312.207 3.392 0 40 DGAB COc1cc(F)ccc1NC(=O)NCCCN1CCCCCC1 44236616 VHPBQBOIAHAXNI-UHFFFAOYSA-N 323.412 3.222 0 40 DGAB CCCCNC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 20611961 DBVKVUWXRZKQOC-UHFFFAOYSA-N 322.836 3.109 0 40 DGAB COC(=O)c1cc(Nc2ccc(Cl)cc2Cl)nn1C 35655127 WMQRPZSLDXTNOJ-UHFFFAOYSA-N 300.145 3.257 0 40 DGAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@@H]3CC[C@]12C 104056363 HLTJNNHJVDFQJM-OKAVUVSYSA-N 318.413 3.252 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@@H](O)c2ccccc2)C1 27573656 MNAUZBASDLSNEB-IEBWSBKVSA-N 324.424 3.071 0 40 DGAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)Cc1ccc(F)cc1 58228070 ALPMTPSIHDLMHG-UHFFFAOYSA-N 310.332 3.100 0 40 DGAB Cc1c([C@H](C)NC(=O)c2cc(F)c(F)cc2Cl)cnn1C 58229854 SFXJBTGNHLXMFY-ZETCQYMHSA-N 313.735 3.151 0 40 DGAB O=C(NCCc1cccs1)c1cncn1-c1ccc(F)cc1 12580034 SSBJYRZVAYQIJU-UHFFFAOYSA-N 315.373 3.045 0 40 DGAB Cc1ccc(-n2nnnc2SCC(=O)c2cccs2)cc1 8282862 NGYWZIDAYVTWLP-UHFFFAOYSA-N 316.411 3.007 0 40 DGAB COc1ccc(CC(=O)Nc2cc(F)ccc2C)c(OC)c1 8277390 USZRGNDIAGJIRR-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB CCN(CC)C(=O)NCc1ccc(OC)c(Br)c1 69377029 CODQVXSTNHGUJI-UHFFFAOYSA-N 315.211 3.009 0 40 DGAB O[C@H](c1ccccc1)c1cc2c(cc1Br)OCCO2 12860391 NSGVJZXBLAGRLM-OAHLLOKOSA-N 321.170 3.302 0 40 DGAB Cc1ccc(F)c(NC(=O)CCc2ccc3c(c2)OCO3)c1 12924995 HWILDKPWJXDGMG-UHFFFAOYSA-N 301.317 3.434 0 40 DGAB CC(C)Cc1c(O)nc(SCc2ccc(F)cc2)[nH]c1=O 17086436 VZFCBVNSLQFQMG-UHFFFAOYSA-N 308.378 3.105 0 40 DGAB CCN(CC)c1ncc(CN2CCC[C@@H](c3ncc[nH]3)C2)s1 92071332 NLGQYXDJUJSMGQ-CYBMUJFWSA-N 319.478 3.092 0 40 DGAB Cc1ncsc1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69490529 ICRGDABWUDOIJX-UHFFFAOYSA-N 320.324 3.372 0 40 DGAB Cc1ccccc1OCCCNC(=O)[C@H]1C[C@@H]1c1cccnc1 69809521 FUDMJFKTBQMGPI-SJORKVTESA-N 310.397 3.079 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC(n2cccc2)CC1 69586338 BCOUXWHUBNAJIY-ZWKOTPCHSA-N 324.424 3.464 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2cc[nH]n2)C2CC2)o1 65554546 WPRAQMGZZWQGCF-ABAIWWIYSA-N 314.389 3.000 0 40 DGAB Cn1ccnc1Sc1ccccc1NC(=O)C[C@@H]1CCCO1 65549972 AWXBOQBLSOOFQK-LBPRGKRZSA-N 317.414 3.079 0 40 DGAB COc1cc2cc(C(=O)NCCc3ccccc3)[nH]c2cc1OC 5321474 HOYZZXUDFUNPRC-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB CC(=O)c1cnn(-c2cc(Nc3ccc(F)cc3)ncn2)c1C 5351804 DKLMPIRUWALJAE-UHFFFAOYSA-N 311.320 3.056 0 40 DGAB CC(C)N1C(=O)[C@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 4554692 UPUVIELLDUXLJK-VLIAUNLRSA-N 323.392 3.148 0 40 DGAB O=c1c2sccc2ncn1CCOc1cccc(Cl)c1 8751778 NGXQSWAQRNZZCP-UHFFFAOYSA-N 306.774 3.190 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)OC1CCCCC1 14464675 FRNREVMYALBIGU-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB Cc1cc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)no1 8777042 NZBLAJKIWBWBBX-UHFFFAOYSA-N 310.140 3.048 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1ccc(F)cc1OCC(F)(F)F 70868005 XCTKYRNQNGDTFA-JTQLQIEISA-N 321.270 3.274 0 40 DGAB Cc1ccc(Nc2nnc(SCC(=O)NC(C)C)s2)cc1 7654403 JXCDWVMOMSWTQG-UHFFFAOYSA-N 322.459 3.207 0 40 DGAB Cc1nccn1CCCC(=O)Nc1cccc(N(C)C(C)C)c1 68479081 XEPLWLPJLVUBJQ-UHFFFAOYSA-N 314.433 3.455 0 40 DGAB CCOc1ccc(-c2ccc(OC(=O)c3ccco3)nn2)cc1 408530919 SGWXEMRMCMIHNA-UHFFFAOYSA-N 310.309 3.355 0 40 DGAB CC(C)(C)c1nc(CN[C@@H]2CCCc3[nH]c(=O)ccc32)cs1 71837198 YAIZSVALXHJFQW-CYBMUJFWSA-N 317.458 3.296 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)c1ccc2c(c1)CCO2 97097786 DPZUBOFKMMJYOD-NSHDSACASA-N 313.401 3.118 0 40 DGAB Cc1nc(C(C)C)sc1[C@@H](C)OC(=O)c1ccc(=O)n(C)c1 97049151 FJTLDNCMMSKLFF-LLVKDONJSA-N 320.414 3.192 0 40 DGAB Cc1nc(C)n([C@@H]2CCCN(C(=O)c3cc(C)sc3C)C2)n1 72235255 GCHBEXNZFIRBPG-CQSZACIVSA-N 318.446 3.051 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 72235647 XMTDBMZBXYVKKL-AWEZNQCLSA-N 319.355 3.255 0 40 DGAB O=C(NCc1nnc(C2CC2)n1C1CC1)c1coc2ccccc12 97115121 ZLPLRAZUEAEHTI-UHFFFAOYSA-N 322.368 3.167 0 40 DGAB CC(C)[C@H]1CCCCN1C(=O)Nc1cnn(-c2ccccn2)c1 97103655 DNNRHTVHBYHMDH-OAHLLOKOSA-N 313.405 3.310 0 40 DGAB CC(C)CNC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329030 DLQCZWFYBCQCNM-UHFFFAOYSA-N 322.206 3.225 0 40 DGAB Cc1nsc(N[C@H]2CCCN(c3ccc(F)cc3C)C2)n1 78266897 ANTUZXGCBDPFFE-ZDUSSCGKSA-N 306.410 3.375 0 40 DGAB O[C@@H](CNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 78886520 MSJDNQUGSJZKBR-LURJTMIESA-N 308.609 3.089 0 40 DGAB CC[C@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(Cl)o1 84736345 FKDNWEDGDOKBFT-JSGCOSHPSA-N 312.841 3.306 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@H](C)[C@H]2COc3ccccc32)cc1 95438291 OFOOOTHYRJNLEG-SJKOYZFVSA-N 309.365 3.184 0 40 DGAB Cc1ccccc1CN1CCCN(Cc2ncccc2C)CC1 95459073 BCTQFXIBDDFMQV-UHFFFAOYSA-N 309.457 3.406 0 40 DGAB Cc1nc(CNC(=O)Nc2cnc(C(C)(C)C)nc2)sc1C 95403874 YQDSHBGAKPTRCB-UHFFFAOYSA-N 319.434 3.169 0 40 DGAB Cc1cc(C)c(CNC(C)(C)c2noc(CN(C)C)n2)cc1C 95957609 PBQBOQWCORLKOD-UHFFFAOYSA-N 316.449 3.081 0 40 DGAB O=S1(=O)CCCN1c1cc(NC[C@@H]2CC=CCC2)ccc1F 89792982 VIZOPCJOOXTPIF-CYBMUJFWSA-N 324.421 3.134 0 40 DGAB O=C(NCc1cn2ccccc2n1)c1csc2c1CCCC2 22024411 KBVSFTMJBVMPMD-UHFFFAOYSA-N 311.410 3.205 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1ccccc1Br 408568393 TUIGZBUNOJZIGT-UHFFFAOYSA-N 321.174 3.064 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]([C@@H](O)c2ccccc2)COC1(C)C 33798545 WLNSEHZFRWNFFR-KBPBESRZSA-N 307.390 3.092 0 40 DGAB Cn1ncc(C(=O)N[C@@H]2CCCc3c(F)cccc32)c1C(F)F 519805461 PJVKWILZLHPEBV-CYBMUJFWSA-N 323.318 3.304 0 40 DGAB COc1cccc(OCCNC(=O)Cc2ccc(C)c(C)c2)c1 74523714 CAKWWEXAMBLFQO-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB Fc1cc(Cl)ccc1CN1CCOCC2(CCOCC2)C1 189184770 DBBCUGDGCPLHFN-UHFFFAOYSA-N 313.800 3.108 0 40 DGAB O=C(CSCc1ccc(F)cc1)NCCOc1ccccc1 70696464 LZYKTURVRJTBHZ-UHFFFAOYSA-N 319.401 3.254 0 40 DGAB CCN(Cc1nc(-c2cccs2)no1)C(=O)C1CCCC1 222627418 PCAVGPBQWZQGGH-UHFFFAOYSA-N 305.403 3.337 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1ccncc1 225551964 OZUZDZHKPZQXRV-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1 190157047 VZYUOAYANIWVBR-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)nc1 227165933 RCJKLSMSLUJNSV-AWEZNQCLSA-N 306.369 3.453 0 40 DGAB CCC[C@@H](C)NC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 44899927 WJYBPLBQHZHMHL-VXGBXAGGSA-N 311.447 3.489 0 40 DGAB C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)o1)C(C)(C)C 96431029 XPRRSKULZTXVFN-NSHDSACASA-N 324.421 3.469 0 40 DGAB COc1cccc(-c2cc(NCc3cscn3)n(C)n2)c1 96485926 BZQHZPXFBCODOP-UHFFFAOYSA-N 300.387 3.164 0 40 DGAB Cc1c(Cl)cccc1N1C[C@@H](C(=O)NC2CCCC2)CC1=O 96686119 FTXXISRVXKPUQI-LBPRGKRZSA-N 320.820 3.060 0 40 DGAB CCCN(CCO)C(=O)Nc1cccc(N2CCC(C)CC2)c1 96418100 JQHKLQWJVWNRNG-UHFFFAOYSA-N 319.449 3.159 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CNc2cccnc2)nc1 257248953 JFYZRXQOESHQPW-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cc2cccc(F)c2o1 585083262 JNVGMFKWZXFKDY-NWDGAFQWSA-N 305.349 3.100 0 40 DGAB O=C(CCN1CCC[C@H](c2cccnc2)C1)Nc1ccccc1 585089987 VGOMCYXBSFFIJZ-KRWDZBQOSA-N 309.413 3.290 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1C 260658763 GMNBAVQFLIEFOB-HUBLWGQQSA-N 318.442 3.257 0 40 DGAB O=C(c1ccc(-c2cccs2)cc1)N1CCc2ncncc2C1 96122794 NUIZGZMXSCQPNA-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB Cn1c(-c2ccccc2)cnc1Sc1cc(Cl)nc(N)n1 45025044 UHZJSFOUCJNRPA-UHFFFAOYSA-N 317.805 3.264 0 40 DGAB CN(C)c1ccc(C(=O)N2CC[C@H](c3cccs3)C2)cc1 828157985 JMCPSBWVTNGVQN-AWEZNQCLSA-N 300.427 3.444 0 40 DGAB Cc1cc(NC(=O)N2CCC(COc3ccccc3)CC2)no1 56503259 QFMPVKFJGWOKSH-UHFFFAOYSA-N 315.373 3.306 0 40 DGAB CN1C(=O)c2ccccc2N[C@@H]1c1cnc2ccc(Cl)cn12 78997981 HBPKFJZNJWIOBK-HNNXBMFYSA-N 312.760 3.184 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024943 SXRWDAAWPWFIKE-CYBMUJFWSA-N 320.820 3.461 0 40 DGAB C[C@@H]1C[C@@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C(=O)O1 96308895 HLDMLPVWUINCCM-PIGZYNQJSA-N 314.360 3.100 0 40 DGAB O=C(c1cccc(OC(F)(F)F)c1)N1Cc2cccnc2C1 550119752 IQMHCQUVHBKQFM-UHFFFAOYSA-N 308.259 3.136 0 40 DGAB Cc1nc(CN2CC[C@H](O)[C@H](Cc3ccc(F)cc3)C2)cs1 1615190130 AVEVUSSGDGGPRF-PBHICJAKSA-N 320.433 3.016 0 40 DGAB CNc1snc(C)c1C(=O)N[C@@H](C)c1cc(C)ccc1OC 28064405 PCMUCQCPVPXNKZ-JTQLQIEISA-N 319.430 3.301 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC(Oc2cccnc2)C1 238873051 NJIGBCOSMGDTLM-UHFFFAOYSA-N 303.749 3.030 0 40 DGAB CCOC=C(C(=O)Nc1ccccc1)C(=O)Nc1ccccc1 2701453 MEFPSRGMJNEZPG-UHFFFAOYSA-N 310.353 3.184 0 40 DGAB Cc1cccc(C(=O)N2CCN=C2SCc2cccnc2)c1 4061124 NVISZEUAQJKRAC-UHFFFAOYSA-N 311.410 3.135 0 40 DGAB Cc1ccc(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 20046658 XXYGLKSKULBOND-IRXDYDNUSA-N 302.462 3.022 0 40 DGAB Cc1ccc(C(=O)NCCC(=O)N2CCCc3ccccc32)cc1 40122514 VPYJZYVNYOBDSN-UHFFFAOYSA-N 322.408 3.094 0 40 DGAB C[C@@H](Sc1ncccn1)C(=O)N1c2ccccc2CC[C@H]1C 40489544 PKJPCKKPJHQALK-CHWSQXEVSA-N 313.426 3.325 0 40 DGAB COc1ccc2nc(NC3=NC(C)(C)CC(C)=N3)nc(C)c2c1 341627 BCJDLUZVZJMNSI-UHFFFAOYSA-N 311.389 3.358 0 40 DGAB CCCn1nc(C)c(CNc2cccc(Cn3cnnc3)c2)c1C 89960643 ANHHRLIFKCRMKQ-UHFFFAOYSA-N 324.432 3.162 0 40 DGAB CCOC(=O)c1cn(CC)c2cc3c(cc2c1=O)SCS3 1618492 KSSWNYHINJHCCN-UHFFFAOYSA-N 321.423 3.353 0 40 DGAB Cc1cc(C(=O)NCC(C)C)c2c(C)nn(-c3ccccc3)c2n1 2740975 IWEYLWILQYRIQT-UHFFFAOYSA-N 322.412 3.423 0 40 DGAB C[C@]12CC=CC[C@H]1C(=O)N(c1ccc(Br)cc1)C2=O 376810 DZAMMUDSEINOHR-WFASDCNBSA-N 320.186 3.295 0 40 DGAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccc(F)cc1 4304852 KBRODTZSIRFBCD-UHFFFAOYSA-N 318.373 3.017 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cc(F)ccc1F)S[C@@H](C)C(=O)N2 6678430 TVKAVLHLAFALOA-MADCSZMMSA-N 309.341 3.160 0 40 DGAB Cc1nc2ccccc2nc1CS[C@H](C)C(=O)NCC(C)C 32814573 GEEKVQKRLWBQET-CYBMUJFWSA-N 317.458 3.332 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3C)C2)c(C)s1 69774741 OOYZJWGLAYVTJB-AWEZNQCLSA-N 303.431 3.347 0 40 DGAB CCCC[C@@H](CC)CN/C=C1/C(=O)NC(=O)c2ccccc21 21759298 DUKWFPWPYPIRMA-MLDYKZIASA-N 300.402 3.104 0 40 DGAB CC[C@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1 8337069 DMOGGRMOHHPXAC-QGZVFWFLSA-N 315.413 3.135 0 40 DGAB Cc1ccc(OCc2cc(=O)n3cc(C)sc3n2)c(C)c1 8603514 HNTZONRRPXYRMD-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(Cl)cc2)NC(=O)N1 550108 BUFPDKIKOOCAEG-CYBMUJFWSA-N 322.792 3.310 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1ccc(CN2CCCC2)o1 27984326 KNMAXVUOHDGPLU-UHFFFAOYSA-N 318.804 3.459 0 40 DGAB CCn1c(SCc2ccc(C(N)=O)cc2)nc2ccccc21 9363859 VLWUUDYIFPAOFX-UHFFFAOYSA-N 311.410 3.447 0 40 DGAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102971518 CAZNOBGEIPLBKJ-MQYQWHSLSA-N 323.531 3.004 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccccc1 100752567 KRSJVMFDNYHXNB-NVXWUHKLSA-N 304.397 3.300 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 12348901 RDOSKVKYKDRYLI-HNNXBMFYSA-N 303.431 3.481 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c(C)c1 12348872 ZNCIVTKXDYPCOL-INIZCTEOSA-N 302.443 3.398 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccc(Cl)s1 25525109 WYKDZQROVMSIMV-UHFFFAOYSA-N 323.801 3.379 0 40 DGAB COc1ccc2c(c1)-c1c3c(cc4ccnc(c14)C2=O)OCO3 1559632 BHFUORVSBHCRKK-UHFFFAOYSA-N 305.289 3.184 0 40 DGAB biogenic CN(Cc1nc(-c2ccco2)no1)Cc1ccc(F)cc1F 44089121 BCAIOAGCSWENCY-UHFFFAOYSA-N 305.284 3.240 0 40 DGAB C[C@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)O 1977945 GJJAXRPKBPOQTL-NSHDSACASA-N 310.305 3.312 0 40 DGAB Cc1cnc(NC(=O)CSc2cc(F)ccc2F)s1 12567790 HBIOOSKTWINUAJ-UHFFFAOYSA-N 300.355 3.461 0 40 DGAB CCCc1nc(C)c(C(=O)Nc2cccc(C(N)=O)c2C)s1 58201798 CRENPJPPOWPEJG-UHFFFAOYSA-N 317.414 3.064 0 40 DGAB CC1CCN(CCNC(=O)Nc2ccc3[nH]ccc3c2)CC1 58326760 CINJJOGHCOCTBO-UHFFFAOYSA-N 300.406 3.021 0 40 DGAB CCCN1CCC(N(C)C(=O)Nc2ccc(F)cc2F)CC1 58342731 SYEDHQHNGIXGKO-UHFFFAOYSA-N 311.376 3.303 0 40 DGAB CCn1nc(C)c(C(=O)N(C)CCCOc2ccccc2)c1C 58406333 WXVOYXIJRXLRFR-UHFFFAOYSA-N 315.417 3.061 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)C(=O)C1CCOCC1 58619371 HPKOUGJREZREJD-UHFFFAOYSA-N 301.308 3.090 0 40 DGAB CCc1cc(C(=O)NCc2ccc(C(=O)OC)cc2)sc1C 3355166 LREHMQDFFMJKBD-UHFFFAOYSA-N 317.410 3.336 0 40 DGAB CCOc1ccccc1NC(=O)CN[C@@H](C)c1cccs1 12750545 TUIVAXVFZDAMFH-LBPRGKRZSA-N 304.415 3.436 0 40 DGAB C[C@H](NC(=O)c1c(F)cccc1F)c1ccc2c(c1)OCO2 27692533 BZZYPXNSFJZDTP-VIFPVBQESA-N 305.280 3.185 0 40 DGAB CSc1cccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)c1 12939767 OZABFSWRJCCYRV-AWEZNQCLSA-N 312.394 3.473 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)NC[C@@H](C)N(C)c1ccccc1 65503326 LWBZPFUHXWRQPW-OLZOCXBDSA-N 315.417 3.036 0 40 DGAB CC(C)(C)OC(=O)COC(=O)c1cc(Cl)cc(Cl)c1N 6559380 YHSNZJDZLIEYNF-UHFFFAOYSA-N 320.172 3.074 0 40 DGAB CC1CCN(c2cnn(Cc3ccccc3)c(=O)c2Cl)CC1 6669114 RYYTYVSTLNUEBC-UHFFFAOYSA-N 317.820 3.181 0 40 DGAB O=C(Cc1cn2ccsc2n1)NC12CC3CC(CC(C3)C1)C2 6650533 SQXZHJHBOWZVKV-UHFFFAOYSA-N 315.442 3.023 0 40 DGAB O=C1c2ccccc2C(=O)N1CC(=O)C12CC3CC(CC(C3)C1)C2 5738969 OZZSDPMLXQHLPR-UHFFFAOYSA-N 323.392 3.068 0 40 DGAB O=c1c2sccc2ncn1Cc1cc(-c2ccccc2)on1 8881314 FGXQKCVCJFQACE-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccccc1F 7421656 AHBVFUKBYXWYLO-ZDUSSCGKSA-N 316.376 3.293 0 40 DGAB COC(=O)CCCNC(=O)/C=C/c1ccc(Cl)c(Cl)c1 16258959 RAKRYRFFBNDGDI-FNORWQNLSA-N 316.184 3.076 0 40 DGAB Cn1nccc1CSCc1ccn(-c2c(F)cccc2F)n1 91037191 BTWGYMYPYZBABG-UHFFFAOYSA-N 320.368 3.317 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 8061256 CPWRDTXJIMSJGI-DKHPWKACSA-N 319.474 3.435 0 40 DGAB Cc1nc(Nc2nc(C)c3ccccc3n2)nc2c1C(=O)CCC2 20634824 LMUITNCRYWVHKS-UHFFFAOYSA-N 319.368 3.299 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cc(F)cc(F)c1 9544525 ODAHGVFPAAVPFE-PSLIRLAXSA-N 305.280 3.132 0 40 DGAB CC(C)(C)c1ncc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)s1 71825493 RJXMMZCQONYCIZ-NWDGAFQWSA-N 308.447 3.224 0 40 DGAB CC(C)c1nc(CNC(=O)CCSc2ccccn2)cs1 87318496 PBZPLAYASMHLHJ-UHFFFAOYSA-N 321.471 3.460 0 40 DGAB Cc1ccc(CN[C@@](C)(CO)c2cccc(C(F)(F)F)c2)nc1 97015929 MMXDIFQZVPIDDW-INIZCTEOSA-N 324.346 3.406 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)NCc2nc(C)c(C)s2)C1 76477550 LRKMESHHZNEOMH-VXGBXAGGSA-N 313.492 3.233 0 40 DGAB Cc1cc(C)cc(OCCN(C)c2ccc3nccnc3n2)c1 95957819 XYNLBLGLMSHIIM-UHFFFAOYSA-N 308.385 3.157 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(-c3ccccc3)nn2)cn1 79097401 YGSMEJWSQMMMQA-UHFFFAOYSA-N 304.353 3.028 0 40 DGAB CN(C(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1)c1cnn(C)c1 75147953 ZFROBZRNFZVTAW-UHFFFAOYSA-N 310.401 3.476 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2Cc2nc(C)c(C)o2)n1 75131889 ACIGHPLUEMUDCX-MRXNPFEDSA-N 302.422 3.159 0 40 DGAB COCC(=O)N1CCC(c2cccc(Cc3ccccc3)n2)CC1 72349256 GMMXJOQKSNSNPL-UHFFFAOYSA-N 324.424 3.025 0 40 DGAB CCc1nc(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)n[nH]1 213394854 DKUQEINZIAASBJ-GHXNOFRVSA-N 314.370 3.066 0 40 DGAB COc1cc(C(=O)NC2CCCC2)nc2c(C)cc(F)cc12 72329491 UNYGDZYAJQKJBJ-UHFFFAOYSA-N 302.349 3.363 0 40 DGAB Cc1ccc(CN[C@@H](Cn2cncn2)c2ccccc2)cc1C 77404922 AVXAKIAZOQUMQK-IBGZPJMESA-N 306.413 3.426 0 40 DGAB COC(=O)Cc1c(-c2ccccc2)c2ccc(C)cc2[nH]c1=O 225537362 CKCGLTPYDXYJKB-UHFFFAOYSA-N 307.349 3.219 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CC[C@@H]1Cc1ccc(F)cc1 1537961492 YUHULEAXWWMNGX-KGLIPLIRSA-N 323.364 3.221 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccc(OC)cc1 44844356 RSXCCFOUSCMDKD-QGZVFWFLSA-N 313.397 3.477 0 40 DGAB COc1ccc(-c2noc(C3CCNCC3)n2)c2ccccc12 199783667 SJSJRGMAIZOKJC-UHFFFAOYSA-N 309.369 3.365 0 40 DGAB CC(C)(C)NC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 44259851 ASGKOXAENLFSKW-UHFFFAOYSA-N 319.355 3.168 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)Nc1cccc(OC)c1 225763070 SNZVTMNIOSRQRU-INIZCTEOSA-N 319.449 3.471 0 40 DGAB C[C@H](NCCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 96476405 LUISGDMLCAGNMQ-LBPRGKRZSA-N 314.351 3.369 0 40 DGAB CC(C)OCc1ncn2c1CN(Cc1cccs1)CCC2 96059042 OUBJRKQUICKLCV-UHFFFAOYSA-N 305.447 3.276 0 40 DGAB COc1ccc(NC(C)=O)c(NCCOc2cccc(F)c2)c1 96427460 CPYDWNXKBMYRHX-UHFFFAOYSA-N 318.348 3.284 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2occc2C(=O)O)cc1 579603113 GTDVOCITQVELOO-OAHLLOKOSA-N 301.342 3.324 0 40 DGAB Cc1nc(C(=O)Nc2nc[nH]n2)c(-c2ccccc2Cl)s1 95473150 FUPQQSSGIIVQDS-UHFFFAOYSA-N 319.777 3.142 0 40 DGAB CC[C@H]1CCCCN1c1nn(-c2cccc(C)c2)nc1C(=O)O 256046789 ICFOQFWRLMCWKF-ZDUSSCGKSA-N 314.389 3.043 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)N1CCC2(CC1)CC2(F)F 649925924 BXMCDMACICVWEN-UHFFFAOYSA-N 310.300 3.068 0 40 DGAB C[C@H](CC(=O)O)CC(=O)N1CCc2ccc(C(C)(C)C)cc2C1 582975893 RDTHLHDSOGTRET-ZDUSSCGKSA-N 317.429 3.370 0 40 DGAB CC(=O)Nc1ccc(CCNCc2cc(F)ccc2F)cc1 78411720 ZFIWOYNROBOQDO-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CCC(=Cc2ccccc2)CC1 84019517 NZOPYQXHBPJOIR-UHFFFAOYSA-N 324.428 3.144 0 40 DGAB COc1ccc([C@@H]2[C@@H]3CCC[C@@H]3[C@H]2NCC2=COCCO2)cc1 19557179 DZNABFBFEWFBDR-FCGDIQPGSA-N 315.413 3.055 0 40 DGAB Cn1nc(C2CCN(Cc3ccccc3)CC2)c2cccnc21 12670237 XIQYYUQYEZMPNI-UHFFFAOYSA-N 306.413 3.348 0 40 DGAB COc1ccc(NC(=S)NCc2ccc(C)cc2)c(OC)c1 13790321 NZMJLIGGWHQKQY-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB c1c2c(nc3cc4c(cc13)OCO4)OCCN(C1CCCC1)C2 19292531 XFZJQBXOJPXWOT-UHFFFAOYSA-N 312.369 3.101 0 40 DGAB FC(F)(F)c1ccc(N2CC(Cn3cc(Cl)cn3)C2)nc1 1889095475 KEOLDJHWXXBKIU-UHFFFAOYSA-N 316.714 3.087 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 26566456 KDMIVVJCQCVCQY-LBPRGKRZSA-N 322.836 3.297 0 40 DGAB O=C(NCCc1ccc(C(F)(F)F)cc1)NC1CCCC1 32862736 YCJGQKRWXZMECD-UHFFFAOYSA-N 300.324 3.490 0 40 DGAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccccc3)oc12 195538 JEAYJOMRJQMGHZ-ZZEZOPTASA-N 308.337 3.163 0 40 DGAB O=C(/C=C/c1ccccc1Cl)Nc1nnc([C@H]2CCCO2)o1 10970767 BOASBKLJOXRDHJ-ABZNLYFFSA-N 319.748 3.226 0 40 DGAB O=C(CCCC(=O)c1ccccc1)NC[C@@H]1COc2ccccc21 585150015 NEORCANIAPFWGH-MRXNPFEDSA-N 323.392 3.332 0 40 DGAB CCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 40097911 RYRMXOULTKTACX-MRXNPFEDSA-N 302.349 3.243 0 40 DGAB CC(C)[C@@H]1Oc2cc(N)ccc2N(Cc2ccccc2F)C1=O 20276236 XINXLGBSGIVXPO-KRWDZBQOSA-N 314.360 3.358 0 40 DGAB C[C@H](C1CC1)N(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 31654953 SXHDLOBJOSSRAA-LLVKDONJSA-N 317.820 3.111 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(Br)cc1F 40525824 PDZUKLVTOSMMEI-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB COc1ccc(NC(=S)Nc2ccc(NC(C)=O)cc2)cc1 34666 BOISRWYWGUXGRG-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB O=C(CSCc1ccc(F)cc1)NCCc1ccccc1 262798 ZGVMYVMVZJDXFR-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB Cc1ccc([C@H](CC(=O)O)NC(=O)OCc2ccccc2)o1 2511994 GJOCXVAWUNYNTR-ZDUSSCGKSA-N 303.314 3.030 0 40 DGAB C[C@@H]1CN(C(=O)NC[C@H](C)CC2(C)OCCO2)c2ccccc21 89941173 AIAWORJWGGORQR-ZIAGYGMSSA-N 318.417 3.109 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)cn1 69628307 VMQIVHBXJRHKAM-GOSISDBHSA-N 322.412 3.198 0 40 DGAB c1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)ccn1 1378763 QNMWKQUTLARIJE-UHFFFAOYSA-N 313.338 3.153 0 40 DGAB COc1cc(C(=O)NC2[C@H]3CCCC[C@H]23)cc(Cl)c1OC 101457360 IDSWAZRKWHSYTM-QWRGUYRKSA-N 309.793 3.276 0 40 DGAB CCN(CC)C(=O)[C@@H]1CCCCN1Cc1c[nH]c2ccccc12 1668208 DMMAXFGKSUUAIY-SFHVURJKSA-N 313.445 3.391 0 40 DGAB Cc1ccc(OCCCC(=O)Nc2cccc(C(=O)O)c2)cc1 1773341 NCVWMPKRXKLBBT-UHFFFAOYSA-N 313.353 3.491 0 40 DGAB Cc1ccc(C)c(Nc2nc(NCCO)c3ccccc3n2)c1 2846591 AJGMOBLFEFSORJ-UHFFFAOYSA-N 308.385 3.394 0 40 DGAB O=C(Cc1noc2ccccc12)NCc1ccc(F)c(Cl)c1 60353491 JLCMKUYGPMCNQS-UHFFFAOYSA-N 318.735 3.479 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccc(Cl)o3)sc2C1 21296807 CPXWYLMLGAHDCC-UHFFFAOYSA-N 311.794 3.020 0 40 DGAB [O-][n+]1c2c(n(O)c1-c1ccccn1)-c1cccc3cccc-2c13 6277147 XWZHVBZQPBBTDD-UHFFFAOYSA-N 301.305 3.221 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)NCCCN1CCCCCC1 52499581 LXYBCDNYBARVCS-HNNXBMFYSA-N 323.506 3.244 0 40 DGAB C[C@]12CC3CC(C(=O)NCCCn4ccnc4)(C1)C[C@](C)(C3)C2 100797479 XMVLIXKFHPYDPO-KNCVXQGMSA-N 315.461 3.386 0 40 DGAB CC(C)Oc1ccc(-c2nonc2NC(=O)c2ccco2)cc1 11913728 UTPJBGHWPLSBBD-UHFFFAOYSA-N 313.313 3.369 0 40 DGAB Cc1cccc(CN(CCCN(C)C)Cc2ccc(C)o2)n1 57810835 BUBOTJMEEQUWQQ-UHFFFAOYSA-N 301.434 3.245 0 40 DGAB C[C@]1(N2CCCCC2)COc2ccc(Br)cc2C1=O 55125036 QHQAAOAANBXJTC-HNNXBMFYSA-N 324.218 3.269 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCCO3)s1 53307182 GZFNLSLPDWKJQE-LLVKDONJSA-N 303.383 3.319 0 40 DGAB O=C(NCCc1ccc(Br)s1)c1ccco1 22521599 ZIAYQNHAPVSGEG-UHFFFAOYSA-N 300.177 3.076 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCOc2ccccc21 24586167 XWIVBZUBZFJEDW-UHFFFAOYSA-N 306.321 3.381 0 40 DGAB Cc1ccc(NC(=O)N2CCN(c3nccs3)CC2)cc1C 43144379 MJMYMBHQMKCWRK-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB C[C@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(F)cc1 25067235 IENGFNDZMIUCEN-CQSZACIVSA-N 321.417 3.266 0 40 DGAB CC(C)(C)NC(=O)n1ccc(-c2ccc(-n3ccnc3)cc2)n1 1402351 ZTDUQJNWSRBUNW-UHFFFAOYSA-N 309.373 3.092 0 40 DGAB Cc1c(CSC(C)C)cccc1NC(=O)N1CC[C@H](O)C1 76070657 GMWJYQIQQTUYCH-AWEZNQCLSA-N 308.447 3.235 0 40 DGAB CCCCCC(=O)N[C@@H](c1ccc(OC)cc1)c1nccn1C 12541449 LJWIRUHYJAPIEO-KRWDZBQOSA-N 315.417 3.215 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)c2cc(Cl)c[nH]2)CC1 25912369 ZVDLPBJRKBSOIJ-UHFFFAOYSA-N 316.788 3.403 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1F 57472217 SXPQGEZZTWHBPA-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB COC(=O)c1sc(NC(=O)[C@H](C)c2c(C)noc2C)cc1C 78048360 XHHMPFJQTAFIRU-MRVPVSSYSA-N 322.386 3.190 0 40 DGAB O=C1CCc2cc(OCc3nnc(-c4ccccc4)o3)ccc2N1 58131519 GMOZFBGXLQHWCR-UHFFFAOYSA-N 321.336 3.200 0 40 DGAB COCc1ccccc1C(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 58155492 COQFDLHSDABPOK-DNVCBOLYSA-N 318.461 3.073 0 40 DGAB COc1ccc(NC(=O)N2CCC(OCCC(C)C)CC2)cn1 44950810 MUDKDFXVPXTTFK-UHFFFAOYSA-N 321.421 3.149 0 40 DGAB C[C@@H](CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 58391646 QRBXIJFRLAVZNN-QWHCGFSZSA-N 322.399 3.344 0 40 DGAB O=C(Nc1ccccc1O)c1cccc(Nc2ncccn2)c1 28103975 NIVVZYCGXBJIJG-UHFFFAOYSA-N 306.325 3.178 0 40 DGAB Cc1cc(C)c2cc(C(=O)N3C[C@H](C)O[C@H](C)C3)[nH]c2c1C 28263627 WYPXUVRLRDRPBQ-BETUJISGSA-N 300.402 3.343 0 40 DGAB C[C@H](CNC(=O)c1cccc(F)c1)N1CCc2ccccc2C1 45464872 CQZLKLGFDGROHO-CQSZACIVSA-N 312.388 3.002 0 40 DGAB CC(=O)N[C@@H](CC(=O)N(C)C1CCCC1)c1ccc(Cl)cc1 48309963 GUNFXIQCIAVGBF-INIZCTEOSA-N 322.836 3.308 0 40 DGAB CN(C)C(=O)c1cc(NC(=O)NC2CCCCC2)ccc1Cl 48364820 MTUHKALWZYLSDJ-UHFFFAOYSA-N 323.824 3.496 0 40 DGAB C[C@H]1CN(C(=O)c2cccc3[nH]ncc23)C[C@@H](c2ccccc2)O1 62515001 ISEMPBMRSHLCMX-UGSOOPFHSA-N 321.380 3.165 0 40 DGAB COc1ncccc1NC(=O)N1CCC[C@H]1Cc1ccccc1 48415333 VETKJBJBWDDQLO-HNNXBMFYSA-N 311.385 3.329 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)cn1 13022505 MNSTWUDHFQIFMP-LLVKDONJSA-N 306.312 3.482 0 40 DGAB CC[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC)cc1 25766751 KXSFODLTTNAGLA-KRWDZBQOSA-N 319.426 3.266 0 40 DGAB Cn1/c(=N\C(=O)c2ccc3c(c2)COC3)sc2ccccc21 64379751 QEIGPMXRPPOIIJ-ISLYRVAYSA-N 310.378 3.011 0 40 DGAB Cc1ccc2cc(CN(C)C(=O)c3cccs3)c(=O)[nH]c2c1 5164053 XWNXDZYQDCMYCK-UHFFFAOYSA-N 312.394 3.170 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(Cl)c[nH]2)C1 65462782 BMINBGWQPLHNML-MBNYWOFBSA-N 309.841 3.146 0 40 DGAB CCOc1cc2c(cc1NC(=O)c1c(C)noc1C)O[C@@H](C)C2 14021129 MQGMMQMRJWKUAO-VIFPVBQESA-N 316.357 3.266 0 40 DGAB Cc1cnc(C(=O)OCc2csc(-c3cccs3)n2)cn1 14125379 FMGAWRUARCVBIE-UHFFFAOYSA-N 317.395 3.327 0 40 DGAB CC(C)c1n[nH]c(SCc2cc(F)cc3c2OCOC3)n1 14134735 BKGZLALQQKLBDH-UHFFFAOYSA-N 309.366 3.226 0 40 DGAB Cc1cocc1C(=O)N1N=C(CC(C)C)C[C@]1(O)C(F)(F)F 4503251 ZAAQHIWTTPDHNS-ZDUSSCGKSA-N 318.295 3.087 0 40 DGAB Cc1ccc2c(COc3ccccc3C(N)=O)cc(=O)oc2c1C 4550300 BHVYBOYCFNGNOQ-UHFFFAOYSA-N 323.348 3.088 0 40 DGAB COc1ccc(OC)c(/C=C2\N=C(c3cccc(C)c3)OC2=O)c1 4644509 SKNYPYPIGHNWRV-WJDWOHSUSA-N 323.348 3.357 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1cc(=O)[nH]c2ccccc12 8988313 QVQHBZKSDRXXBE-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)CCO2 24454209 XHAIHKYAFRKCMV-UHFFFAOYSA-N 309.365 3.223 0 40 DGAB Cc1ccc(CNC(=O)CC2(CC(=O)O)CCCCC2)cc1 7002298 OHVUIKQJVNZSBV-UHFFFAOYSA-N 303.402 3.427 0 40 DGAB FC(F)(F)c1cccc(Cn2nnc(-c3cccs3)n2)c1 15555167 JCGNXBSFVIFXRA-UHFFFAOYSA-N 310.304 3.469 0 40 DGAB COc1ccc([C@@H](C)NCc2ccc([S@](C)=O)cc2)c(F)c1 90221500 OTXDVGSSXAENNP-VERVWZFWSA-N 321.417 3.423 0 40 DGAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccc(C)cc1 9159722 XIIANEFBFWNOTP-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)N[C@]2(CCCC[C@H]2C)C1=O 16074827 AKGPYHXWYUAVIS-QAPCUYQASA-N 323.481 3.059 0 40 DGAB C/C(=C\C(=O)N[C@H](C)c1cnn(C)c1C)c1ccc(F)cc1 96313739 RGJDRDIMWVGIRT-LMMOQWNQSA-N 301.365 3.148 0 40 DGAB C[C@H](NC[C@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C 91281823 HMLJDISJCQPMRC-HZMBPMFUSA-N 319.792 3.204 0 40 DGAB Cc1ccc2oc(=O)c(-c3nc(-c4ccccn4)no3)cc2c1 9431140 CQVISFIGNUOBCH-UHFFFAOYSA-N 305.293 3.213 0 40 DGAB C[C@H](CNC(=O)CCc1ccccn1)c1ccc(F)c(F)c1 96432599 FZUQBGVGEJQVFI-GFCCVEGCSA-N 304.340 3.212 0 40 DGAB COc1ccsc1C(=O)N1CCC[C@H](n2nc(C)cc2C)C1 71879523 VJSCTDUUVVNYIJ-ZDUSSCGKSA-N 319.430 3.047 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)Nc1cccc2ncccc12 71849602 ITJGIDMOICYGGK-UHFFFAOYSA-N 309.373 3.021 0 40 DGAB Cc1nc(-c2ccccc2)oc1C(=O)N=c1[nH]c2ccccc2[nH]1 78875600 COPNOEXSOTXHMN-UHFFFAOYSA-N 318.336 3.201 0 40 DGAB Cc1nc(C(C)C)sc1[C@H](C)OC(=O)c1ccc(=O)n(C)c1 97049152 FJTLDNCMMSKLFF-NSHDSACASA-N 320.414 3.192 0 40 DGAB Cc1cccc(OC[C@@H](O)CSc2ncc3ccccn23)c1 84211204 YTDYQGKUUVVEMD-OAHLLOKOSA-N 314.410 3.175 0 40 DGAB CCCn1cc(N[C@H](C)C(=O)Nc2cc(F)ccc2C)cn1 97140102 AYQNEWJPXYCGIK-GFCCVEGCSA-N 304.369 3.180 0 40 DGAB O=C(O)CCCCCCNC(=O)C1(c2cccc(F)c2)CCC1 84372054 QBIZSNZOSGPPEA-UHFFFAOYSA-N 321.392 3.399 0 40 DGAB COc1ccc(C)cc1C(=O)NCc1nc2c(C)cccc2[nH]1 95451760 WFUKWWPTRBGKBW-UHFFFAOYSA-N 309.369 3.118 0 40 DGAB COCCC1(C(=O)NCc2c(F)c(F)cc(F)c2F)CCC1 95415356 DOMSKOUQHAIXPO-UHFFFAOYSA-N 319.298 3.066 0 40 DGAB O=C(c1ccccc1F)N1CCC(NC[C@H]2CC=CCC2)CC1 95433914 BJDXEZKIUFWKGB-HNNXBMFYSA-N 316.420 3.376 0 40 DGAB CN(Cc1cccnc1)[C@H]1CCCC[C@@H]1N(C)Cc1cccnc1 95995925 ZFAOMZBZBKFGOQ-PMACEKPBSA-N 324.472 3.352 0 40 DGAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@@H]1CCCS1 95991070 BEWIJECVFLSBOI-JTQLQIEISA-N 318.364 3.141 0 40 DGAB COCc1cc(NC(=O)c2c(Cl)cccc2Cl)ncn1 95993973 KHONWYUCUIDWEQ-UHFFFAOYSA-N 312.156 3.182 0 40 DGAB FC(F)COc1ccccc1NCc1nnsc1Cl 95966455 CYQMWDARQUOTSR-UHFFFAOYSA-N 305.737 3.448 0 40 DGAB Fc1nc(F)c(F)c(SCCCNc2ncccn2)c1F 75106796 MEFQZVWWTFRNCK-UHFFFAOYSA-N 318.299 3.022 0 40 DGAB COC(=O)c1cc2c(=O)n([C@H]3CCCC[C@@H]3C)ccc2nc1C 38784146 DTDOMISNAOSZDE-ZBEGNZNMSA-N 314.385 3.243 0 40 DGAB Cc1nc(NC(=O)Cn2ccc3ccc(F)cc32)sc1C 31813469 VIKMMTWTPYPKRU-UHFFFAOYSA-N 303.362 3.492 0 40 DGAB COC(=O)c1cc(N)ccc1OCc1ccc(F)cc1Cl 216806928 UEELKMZFNLELRG-UHFFFAOYSA-N 309.724 3.427 0 40 DGAB Cc1ccccc1-c1noc([C@H]2CC(=O)N(Cc3ccco3)C2)n1 38671133 WIUDMHACAQIAQE-ZDUSSCGKSA-N 323.352 3.154 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(F)cc1 33155291 UXHOXAXFOPXXBV-PXAZEXFGSA-N 312.344 3.196 0 40 DGAB Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)c1 32752475 ZPBPCLOLNRUAAN-FOWTUZBSSA-N 317.348 3.443 0 40 DGAB Cc1ccc([C@H]2CN(c3nc4c(F)cccc4n3C)CCO2)o1 225573996 MCSDEPHCJVUWAP-OAHLLOKOSA-N 315.348 3.192 0 40 DGAB Cc1cccc(-c2c(C)nn(Cc3ccccc3)c2C(N)=O)c1 228947450 NVQIFLDEWNKKLN-UHFFFAOYSA-N 305.381 3.314 0 40 DGAB CCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)c(C)n1 225902345 PNHHDBNWJZNIMF-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB c1cc(OCc2nc(-c3ccoc3)no2)cc(-n2ccnc2)c1 81182138 MSYSEJGWOQRYIF-UHFFFAOYSA-N 308.297 3.094 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccccc2C=O)C1 228909440 JLGRVCVDXLODMR-CQSZACIVSA-N 318.417 3.240 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)NC1CCCCC1 47579214 WVYLBAIKQIXBFQ-UHFFFAOYSA-N 315.461 3.414 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@H](C)CC 225169140 NSUHDTKPZRETJJ-OLZOCXBDSA-N 324.852 3.382 0 40 DGAB CCCCOc1cc(C)ccc1S(=O)(=O)Nc1ccccn1 41091720 MIXKHNQFEUSLIL-UHFFFAOYSA-N 320.414 3.370 0 40 DGAB C[C@H](CCO)N[C@H](c1ccc(Br)cc1)c1ccco1 195555499 UVMHJIRRBIVGGA-IAQYHMDHSA-N 324.218 3.492 0 40 DGAB O=C(Nc1nccc2sccc12)c1nn[nH]c1-c1ccccc1 194227966 RKVQXMKLXBEARE-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2C)cc1 224268764 AFNXCDOGCOOHQH-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCCOc1ccc(-c2c(C)n(O)c3c([n+]2=O)CCCC3)cc1 136088587 YRKSQHAFGCHOSV-UHFFFAOYSA-N 315.393 3.283 0 40 DGAB CCOC(=O)c1cn(C2CCCCC2)nc1Br 96529679 NMODOAVIBVNEPY-UHFFFAOYSA-N 301.184 3.328 0 40 DGAB COc1ccc(CN2CCC[C@@H]2C[C@H](O)c2ccco2)cc1 91958793 RFDPTZQQZIRLQG-WBVHZDCISA-N 301.386 3.376 0 40 DGAB Cc1csc([C@H](NC(=O)[C@H]2COc3ccccc32)C2CC2)n1 96425454 GJOCOTGRNJMVQU-DZGCQCFKSA-N 314.410 3.195 0 40 DGAB Cc1cc(C(=O)O[C@H](C)c2nc3cc(Cl)ccc3n2C)on1 96456267 GDLBXELXJJJPHA-SECBINFHSA-N 319.748 3.441 0 40 DGAB Cc1cnc(NC(=O)COc2ccccc2)c(Br)c1 95436735 WPKNNWVPSWVKEW-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB CN1CC[C@@H](NC(=O)c2ccsc2)[C@@H]1c1ccc(F)c(F)c1 95449205 GANGUXKHYQXJEF-CABCVRRESA-N 322.380 3.202 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 257296230 RBVBGTFQBMSNKR-LBPRGKRZSA-N 302.378 3.115 0 40 DGAB CCc1ccc2occ(C(=O)NCc3ncc4c(n3)CCC4)c2c1 585088312 VCJKUSUMFYRMAT-UHFFFAOYSA-N 321.380 3.204 0 40 DGAB O=C(N[C@@H](c1ccccc1)c1ccc(F)cc1)C12CCN(CC1)C2 585121192 IEPKMXIYBMSXID-SFHVURJKSA-N 324.399 3.127 0 40 DGAB COC1(c2noc([C@@H](c3ccccc3)n3cccn3)n2)CCCC1 585133632 NZSDRUVWRQXDRO-OAHLLOKOSA-N 324.384 3.320 0 40 DGAB CCOc1nccnc1N1CCC(Oc2ccc(F)cc2)CC1 539292082 JFADZCLMHKEZCQ-UHFFFAOYSA-N 317.364 3.062 0 40 DGAB Cn1ccc2cc([C@H](O)CNC(=O)Nc3cccs3)ccc21 252503507 VECUMLJGKRCMHB-CQSZACIVSA-N 315.398 3.095 0 40 DGAB Cc1cc2nccc(C3CCN(Cc4cnccc4C)CC3)n2n1 257321807 WDICZADORKPWKU-UHFFFAOYSA-N 321.428 3.121 0 40 DGAB CC(C)Cc1cccc([C@@H](C)C(=O)NC2CCC(O)CC2)c1 252488869 JAWHMZHIGNRZRU-RWBZWWBESA-N 303.446 3.408 0 40 DGAB C[C@H]1CN(C(=O)C(F)(F)Sc2ccccc2)C[C@@H](C)O1 256050895 GXOVVZIQNWMHQM-PHIMTYICSA-N 301.358 3.007 0 40 DGAB FC(F)(F)c1cccc(Cc2ccc([C@H]3CNCCO3)nc2)c1 257342267 ZNVJHGBVVSHMLD-MRXNPFEDSA-N 322.330 3.352 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@H]2c2ccsc2)C1 58581237 JLNPPZFYNSGUHU-FMKPAKJESA-N 306.475 3.390 0 40 DGAB C[C@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccnc1 69617857 HZNJPQKJJREFNX-JTQLQIEISA-N 307.756 3.435 0 40 DGAB CCOCCCNC(=O)[C@@H](C)Oc1cc(C)c(Cl)c(C)c1 14396916 AXCTZSQDDYTHAN-CYBMUJFWSA-N 313.825 3.267 0 40 DGAB Cc1ccccc1CN1CCC[C@H](c2n[nH]c3nccnc23)C1 19237181 KWLSPJILJZGTKJ-HNNXBMFYSA-N 307.401 3.041 0 40 DGAB Cc1nc(O)c2c(n1)CN(Cc1ccc(Cl)c(Cl)c1)CC2 19576587 ITNROOHENMVCLL-UHFFFAOYSA-N 324.211 3.356 0 40 DGAB CC1(C)C[C@@H](NCc2cccc(OCc3ccccn3)c2)CO1 585087346 FJDARJQPMKEOPC-QGZVFWFLSA-N 312.413 3.318 0 40 DGAB CNc1nnc(S[C@@H](C)C(=O)c2c[nH]c3ccccc23)s1 7103061 JRXIQXNYLFMYGJ-QMMMGPOBSA-N 318.427 3.425 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3cccs3)o2)cc1 4329952 NPFAEGDNBQYYPI-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB Cc1nc2ccccc2nc1Cn1c(=O)sc2ccccc21 4776529 IKAGPJLAYIWZIM-UHFFFAOYSA-N 307.378 3.363 0 40 DGAB COc1cc2ccccc2cc1C(=O)Nc1ncnc2c1CCC2 9203067 JTYIHVGSOFTLFV-UHFFFAOYSA-N 319.364 3.379 0 40 DGAB O=C(NCc1cccc2ccccc12)NC[C@@]1(O)C=CCCC1 585146639 QYHDXTISNXPYQH-LJQANCHMSA-N 310.397 3.110 0 40 DGAB O=C(Cc1ccccc1Cl)NCC[C@H](O)c1ccccc1 81251610 IFRQLCDYIXIHBU-INIZCTEOSA-N 303.789 3.122 0 40 DGAB CC(C)CN1CCC(C(=O)N[C@@H](C)CCc2ccccc2)CC1 40150752 CKKKOVPEMHPEMR-KRWDZBQOSA-N 316.489 3.492 0 40 DGAB Fc1ccccc1N1CCN(Cc2cnc(Cl)s2)CC1 20218989 NOQKZJKUUUEFLP-UHFFFAOYSA-N 311.813 3.258 0 40 DGAB CCc1ccc(C(=O)C[C@@]2(O)C(=O)N(CC)c3ccccc32)cc1 134968 UFWVLZKFHZLCSJ-FQEVSTJZSA-N 323.392 3.076 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(Oc3cnccn3)c2)n1 32029000 CKUMOMSLZZDZNG-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB Fc1ccc(Cn2c(NC3CCNCC3)nc3ccccc32)cc1 2303 SFOVDSLXFUGAIV-UHFFFAOYSA-N 324.403 3.388 0 40 DGAB investigational O=S(=O)(Nc1ccccc1Br)c1cccs1 241838 NMRICTPHAULYCM-UHFFFAOYSA-N 318.217 3.311 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101357383 JLMLLJGVUDQKAI-VQHPVUNQSA-N 323.392 3.177 0 40 DGAB CN1CCCC[C@@H](C(O)(c2ccccc2)c2ccccc2)C1=O 2042670 TXISTBPTBHCNLE-GOSISDBHSA-N 309.409 3.181 0 40 DGAB C[C@@H](CC(=O)N[C@H](C)c1ccccc1)NC(=O)c1ccccc1 32736090 QDJNVMWZYOMQEL-LSDHHAIUSA-N 310.397 3.072 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCC[C@@H]1C)[C@@H]2C(=O)O 4465849 GUOHAOSSSNLHLQ-QZPUYBJASA-N 305.418 3.081 0 40 DGAB C[C@H]1N(CC(=O)NCc2ccccc2)c2ccccc2C1(C)C 6792122 DJCHOEWDGXWMLU-OAHLLOKOSA-N 308.425 3.489 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 8314611 IGBGWDSETAOPBN-NVXWUHKLSA-N 318.461 3.382 0 40 DGAB CC(=O)Nc1c(C(=O)O)[nH]c2ccc(OCc3ccccc3)cc12 6857008 KQMXOCLZFNZZSG-UHFFFAOYSA-N 324.336 3.404 0 40 DGAB Cc1ccc(-c2nc(C(=O)Nc3ncccc3O)cs2)cc1 32841704 KWIMQOCNHXGCHL-UHFFFAOYSA-N 311.366 3.471 0 40 DGAB COc1ccccc1C(=O)OCc1nc(-c2cccs2)no1 7166436 BZKJUSQLTUZFSU-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB C[C@@H](OC(=O)c1ccc(O)cc1O)C(=O)c1cccc(Cl)c1 10386786 KEUVPYHXGDZDGA-SECBINFHSA-N 320.728 3.179 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(F)cc1 8285626 RJXHSUONPSLRMU-NSHDSACASA-N 311.312 3.423 0 40 DGAB COc1ccc([C@@H]2CC(C)=Nc3c([nH]c(=S)[nH]c3=O)N2)cc1 8653251 UHEXDARYZIFOCU-NSHDSACASA-N 316.386 3.090 0 40 DGAB Cc1cc(C(=O)NCCn2ccnc2)c(C)n1C1CCCCC1 75862234 HSYCRCXBLQHJIP-UHFFFAOYSA-N 314.433 3.237 0 40 DGAB Cc1ccc2nc(SCc3c(C)noc3C)n(C)c(=O)c2c1 42177448 FHZANSKTCSQREH-UHFFFAOYSA-N 315.398 3.139 0 40 DGAB CC(=O)Nc1cccc2c1CCN(c1cnc3ccccc3n1)C2 54125386 ANHHVYNMKWUXDU-UHFFFAOYSA-N 318.380 3.151 0 40 DGAB Cc1csc(CNC(=O)c2ccc(C(F)(F)F)nc2C)n1 24683543 GKBVGPCNHSOZLJ-UHFFFAOYSA-N 315.320 3.104 0 40 DGAB CC(C)c1nnc(NC(=O)c2noc3c2CCCCC3)s1 61721831 DQCDWGLGHNGSTR-UHFFFAOYSA-N 306.391 3.171 0 40 DGAB c1ccc(-n2nc3ccc4nn(-c5ccccc5)nc4c3n2)cc1 3141121 BNNFUWPXIWETMW-UHFFFAOYSA-N 312.336 3.154 0 40 DGAB CC[C@H](NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1ccc(C)cc1 107146287 ICJUSYNJZGXXHK-IGKNDFSCSA-N 314.429 3.265 0 40 DGAB Cc1nc(-c2cc(C)n(CC(=O)N[C@H](C)C3CC3)c2C)cs1 25595370 AJIXSIBJOPWDMD-LLVKDONJSA-N 317.458 3.452 0 40 DGAB Cc1ccc(NC(=O)CN(C)c2ccc(C(F)(F)F)cn2)cc1 25784376 NRZXCYMMLNZHBH-UHFFFAOYSA-N 323.318 3.484 0 40 DGAB Cc1cc(NC(=O)c2ccccc2O)ccc1N1CCCC1=O 12756077 OABNDQHEOBQXPU-UHFFFAOYSA-N 310.353 3.080 0 40 DGAB CC[C@@H](C(=O)NCc1ccc(NC(C)=O)cc1)c1ccccc1 12787116 PVRRAHAGKLIXSG-GOSISDBHSA-N 310.397 3.455 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)cc1 3450975 FHRDFFMFLVAWHF-BXUZGUMPSA-N 309.793 3.192 0 40 DGAB Cc1ccsc1CNC[C@@H]1CCc2nnc(C(C)C)n2C1 69589106 GWTLQXVPLKCCEP-ZDUSSCGKSA-N 304.463 3.124 0 40 DGAB Cc1ccc(-n2nc(C)c3c(O)nc(C(F)(F)F)nc32)cc1 8692396 HPYQSLDADZGQEV-UHFFFAOYSA-N 308.263 3.157 0 40 DGAB aggregator CCCCCCC(=O)Oc1cccc(N2C(=O)CCC2=O)c1 4175207 ISUCJKJKNJBCAZ-UHFFFAOYSA-N 303.358 3.216 0 40 DGAB CSc1nccc(NC(=O)c2cccc(C(F)(F)F)c2)n1 4106834 BXQWXRRSPQYRML-UHFFFAOYSA-N 313.304 3.470 0 40 DGAB COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)O)cc1 4206296 XZLBIHCIEFGLHC-UHFFFAOYSA-N 308.337 3.305 0 40 DGAB O=C(NCc1cccnc1)c1ccccc1C(=O)c1ccccc1 8707086 ATWUTORVKUOTRV-UHFFFAOYSA-N 316.360 3.243 0 40 DGAB Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)on1 65488831 IHNHXBLYUHAFIZ-UHFFFAOYSA-N 320.348 3.144 0 40 DGAB O=C(c1cnsn1)N(CCc1ccccc1)c1ccccc1 65592433 FAHUBKFBCIDPFH-UHFFFAOYSA-N 309.394 3.428 0 40 DGAB Cc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)n2C)cc1 8707015 CYXZYQPOEHMXIH-CQSZACIVSA-N 301.415 3.394 0 40 DGAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccccn2)no1 96001238 RZORQVBXDAPWIA-CQSZACIVSA-N 314.389 3.346 0 40 DGAB COc1ccc(CNc2ncnc3ccsc23)cc1OC 8922143 UVLCTEMCOINJFW-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB COc1ccc2c(CC(=O)N[C@@H](C)c3cccnc3)coc2c1 7180368 WFFCNVQMFDHEDN-LBPRGKRZSA-N 310.353 3.256 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@@H](C)CSC 80471478 BNUVJVGIIQHATA-QWRGUYRKSA-N 314.426 3.288 0 40 DGAB CN(CC(=O)NCc1cccs1)[C@@H]1CCCc2ccccc21 16342744 IVBZBIHKESBPQK-QGZVFWFLSA-N 314.454 3.374 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NCc1cccc2cccnc12 68841292 IVOIOSDEZQELQR-UHFFFAOYSA-N 324.384 3.181 0 40 DGAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1cccc[n+]1[O-] 70015352 WNICDMZUIUJUAN-UHFFFAOYSA-N 316.376 3.292 0 40 DGAB CC(=O)N[C@@H](CC(=O)NC1CCCCCCC1)c1ccccc1 9517051 YTAPBKOZOCOZDC-SFHVURJKSA-N 316.445 3.483 0 40 DGAB COc1ccc(CN(C)C(=O)CN2c3ccccc3C[C@@H]2C)cc1 96969058 GIENEJUKVUULCP-HNNXBMFYSA-N 324.424 3.105 0 40 DGAB O=C(Nc1ccc2[nH]ncc2c1)N1CCO[C@H](c2ccccc2)C1 72285306 SDSUHIMMBYDKQP-KRWDZBQOSA-N 322.368 3.168 0 40 DGAB CC(C)(C)c1ccc(CCC(=O)N[C@H]2CCC[C@@H]2CO)cc1 84284365 RIWPNEKFMTTZMO-WBVHZDCISA-N 303.446 3.194 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2ccccc2C[S@@](C)=O)cc1 97139733 YJQXBUQINXDRIJ-QFIPXVFZSA-N 315.394 3.020 0 40 DGAB COc1ccccc1NC(=O)N[C@@]1(CO)C[C@H](C)CC(C)(C)C1 72305923 FXBMQTAFYVKRFJ-ACJLOTCBSA-N 320.433 3.394 0 40 DGAB Cc1cc(O)ccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 95976461 JUFDTJDHCWRHMO-KRWDZBQOSA-N 324.424 3.095 0 40 DGAB CCN(C(=O)C(=O)c1cnn(CC)c1)c1cccc2ccccc12 89305704 DLSGUJDBQXIMON-UHFFFAOYSA-N 321.380 3.292 0 40 DGAB Cc1nn2c(COC(=O)Cc3ccccc3C)c(C)nc2s1 89689309 OLKZGUUBWVOLPU-UHFFFAOYSA-N 315.398 3.002 0 40 DGAB CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)NCc1ccon1 89694630 QNYZHWDHBBZFKK-UHFFFAOYSA-N 324.384 3.088 0 40 DGAB CCOc1ccc(CCC(=O)Nc2cccnc2)cc1OCC 20111549 QABNHEJPGFZCDX-UHFFFAOYSA-N 314.385 3.450 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@H]2C[C@@H]3C=C[C@H]2C3)c2ccccc12 32106345 BVKKIUFWFPTIGS-OWCLPIDISA-N 322.408 3.172 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 33645119 CLWNWRDFRIWILD-MCIONIFRSA-N 320.458 3.048 0 40 DGAB Cc1cnc(N2CCC(c3noc4cc(F)ccc34)CC2)nc1 329731451 PTZNUYWEGNKWDJ-UHFFFAOYSA-N 312.348 3.449 0 40 DGAB COc1ccc(CCNC[C@H](O)c2ccccc2)cc1Cl 4687168 LCMIMDHMUFQBMC-INIZCTEOSA-N 305.805 3.214 0 40 DGAB CC(C)Sc1ccc(CC(=O)N[C@H]2CCC[C@@H](O)C2)cc1 75156784 ZEBMYBXNCGBZTH-LSDHHAIUSA-N 307.459 3.149 0 40 DGAB O=C(NCc1cccs1)c1nnsc1-c1ccccc1 72239952 RGEAHKLKPUXFLA-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB CC(C)(C)OC(=O)N1CCN[C@@H](c2c[nH]c3ccccc23)C1 71656516 DZIHXDMDMNVFNL-OAHLLOKOSA-N 301.390 3.049 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(CN)cc1 36720767 PFLXWXQCMMSGTA-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](Cc2cccc3ncccc23)C1 72367641 LYQZINZLAFKUCT-OAHLLOKOSA-N 317.392 3.335 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NCC(C)C 224141620 LVAJKRUQKHRIAC-INIZCTEOSA-N 318.461 3.284 0 40 DGAB CN(C(=O)c1cccnc1C(F)(F)F)c1ccc2c(c1)CCO2 195579170 LJQZWEDKSGFSEK-UHFFFAOYSA-N 322.286 3.312 0 40 DGAB Cc1ccc(NC(=O)c2cnc(C)nc2C)c(Br)c1 82335992 VUMJHDSBXYJLOT-UHFFFAOYSA-N 320.190 3.417 0 40 DGAB C[C@@H]1CCCCN1CCCCNC(=O)c1ccc2c(c1)CCO2 46989878 ZFXFDGTWSRQRJN-OAHLLOKOSA-N 316.445 3.006 0 40 DGAB O=C(c1snnc1-c1ccc(Cl)cc1)N1CCCCC1 225770950 NPHZYMNOOIGBHH-UHFFFAOYSA-N 307.806 3.485 0 40 DGAB Cc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)c(C)c1 228934029 HHUUCRMMVKZYBP-UHFFFAOYSA-N 322.416 3.111 0 40 DGAB Cc1ccc(CNCc2ccc(C)o2)c(O[C@@H]2CCOC2)c1 96466776 OEFCQYVNVWLTAM-QGZVFWFLSA-N 301.386 3.354 0 40 DGAB CCc1ccc([C@@H]2CCCCCN2C(=O)c2csnn2)o1 96417152 ADVBMNQDTVCIPC-ZDUSSCGKSA-N 305.403 3.451 0 40 DGAB Cc1cccc(CN2CC[C@@]3(CCN(Cc4ccco4)C3)C2=O)c1 96050560 HBGXOYYQNHVLJF-HXUWFJFHSA-N 324.424 3.213 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@H]2c2ccccc2)c(C)n1 248983778 DQROBIMQYHWRHP-ROUUACIJSA-N 324.428 3.265 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2cnc(-n3nc(C)cc3C)nc2)c1 85470391 SSJOHOLYLOWEFA-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB O=C(NCCn1ccc(-c2cccs2)n1)Nc1cccs1 96103880 HQKGJFJTGXNUKI-UHFFFAOYSA-N 318.427 3.495 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)CCCc2ccccc2)C1 58316182 IUIGHGUIEIGTOG-SFHVURJKSA-N 302.462 3.246 0 40 DGAB Cc1cc(-c2csc(NC(=O)[C@H](C)n3cccn3)n2)c(C)o1 79852530 CEGLHXKOBVNEKP-JTQLQIEISA-N 316.386 3.416 0 40 DGAB Cc1cc(C)nc(Cc2nc3scc(C(C)C)c3c(=O)[nH]2)n1 84114443 ZOWOLGGZPYVHDC-UHFFFAOYSA-N 314.414 3.106 0 40 DGAB O=C(NC(=S)NCc1ccco1)c1ccc2ccccc2c1 14257813 ITGIIIWFECRIKR-UHFFFAOYSA-N 310.378 3.237 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)cc1 14683258 CGYDMFNGVGSLLJ-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB c1ccc(N2C[C@@H]3[C@H](CCN3c3nc4ccccc4s3)C2)nc1 1889191969 FVVJBGZQRFIBOE-UKRRQHHQSA-N 322.437 3.406 0 40 DGAB COc1ccc(-c2nnc(NC(=O)CCc3ccccc3)o2)cc1 4276099 OTDSVXKRAHYORJ-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cccc(Cl)c1)c1ccccc1 10328142 TWZLGCXKBMMSNS-INIZCTEOSA-N 302.805 3.373 0 40 DGAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1cscn1 585149365 LFJISKYDMZKCSZ-CYBMUJFWSA-N 308.428 3.102 0 40 DGAB c1ccc(CN2CCC3(CC2)CNCc2ccccc2O3)cc1 19371898 UGKULGQTOXRYKV-UHFFFAOYSA-N 308.425 3.203 0 40 DGAB O=C(Nc1nc(-c2ccccc2)cs1)[C@H]1CC[C@@H](C(=O)O)C1 140152156 BDLDVMZWIHUIMJ-NWDGAFQWSA-N 316.382 3.250 0 40 DGAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(C)cc(C)c2)C1 40156612 GATFVRMOTQGCMK-HNNXBMFYSA-N 302.418 3.281 0 40 DGAB COc1ccccc1S[C@H]1CC(=O)N(c2ccccc2)C1=O 261313 KVOKSZXGHVKLFX-HNNXBMFYSA-N 313.378 3.119 0 40 DGAB COc1cc2c(cc1OC)C(CCN1CCCC1)=NC(C)(C)C2 490715 OTQGZCLZVNVADJ-UHFFFAOYSA-N 316.445 3.314 0 40 DGAB biogenic COc1ccc(C(=O)CCC(=O)Nc2cnccc2C)cc1F 81749224 APMWULJHHKPEPB-UHFFFAOYSA-N 316.332 3.139 0 40 DGAB Cc1cc([C@@H](C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c(C)s1 46239501 YRXBGBSTYIAHCZ-OCCSQVGLSA-N 322.474 3.047 0 40 DGAB COc1ccc(-c2nnc3ccc(-c4ccccc4)nn23)cc1 1417172 BCVZMNLCQBWTPL-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB Cc1ccc(-c2nnc(N3CCN(C)CC3)c3ccccc23)cc1 2501318 MTKUXGKEOSGZEG-UHFFFAOYSA-N 318.424 3.357 0 40 DGAB CCN(CC)CCCNC(=O)c1ccc(Cl)cc1Cl 3100416 CZFAVVIGNFUPHY-UHFFFAOYSA-N 303.233 3.455 0 40 DGAB O=C(NC1CC1)[C@H](Sc1ncc2ccccn12)c1ccccc1 17727383 CUFNVDVEPZCWPA-MRXNPFEDSA-N 323.421 3.446 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2nc(C)c3cc(C)cc(C)c3n2)n1 10325239 BLYGMBUXTCJYMB-UHFFFAOYSA-N 323.400 3.334 0 40 DGAB CCc1n[nH]c(=S)n1NCc1c(OC)ccc2ccccc12 8338977 YTJKZIHKAXGGPG-UHFFFAOYSA-N 314.414 3.409 0 40 DGAB Cc1ccc(CSc2nnc(-c3ccc(F)cc3)n2N)cc1 533313 GFCJWYZHENKDQF-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB CCCCC(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1 9064296 VOVQDGXESAKVKT-UHFFFAOYSA-N 321.446 3.284 0 40 DGAB CCCN1C(=O)N[C@H](c2ccccc2Cl)C(C(=O)OC)=C1C 24834339 WJWFCCCHMAGUJD-CQSZACIVSA-N 322.792 3.263 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)on1 53400206 NBDPFOGUKWSGIF-KRWDZBQOSA-N 310.397 3.378 0 40 DGAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1ccc[n+]([O-])c1 53490969 WFVKVWFBPSUVAS-UHFFFAOYSA-N 305.337 3.316 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@@H](NC3CCCCC3)C2=O)c(C)c1 104731692 SYEKRIPBDXEWNZ-MRXNPFEDSA-N 314.429 3.166 0 40 DGAB O=S(=O)(Nc1nc2ccccc2[nH]1)c1cccc(Cl)c1 105781611 FIVMVUGVRKMVGR-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB Cc1c(C(=O)N2CC(=O)Nc3ccccc32)oc2ccc(F)cc12 24781025 NTSXKEASHJWJSK-UHFFFAOYSA-N 324.311 3.479 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)c1cccs1 25190033 AWBUZPGUCFYXDW-UHFFFAOYSA-N 301.367 3.128 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)c2cn(C)c3ccccc23)c1 25543996 MTBADLBBOQMUGF-UHFFFAOYSA-N 321.380 3.132 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)c1 56341938 OCHHZWSOHMHLPA-NSHDSACASA-N 321.380 3.458 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CSc1nncc2ccccc12 44156624 PTDCUOPRLHHXIO-IUODEOHRSA-N 315.442 3.417 0 40 DGAB Cc1cnc(NC(=O)NC[C@H](c2ccc(F)cc2)N(C)C)s1 48053963 JLUNKWASWCOTHN-CYBMUJFWSA-N 322.409 3.015 0 40 DGAB COc1ccccc1N1CC[C@@H](CNC(=O)C2CCCCC2)C1 58192798 PZHYZUVHFBBEAX-HNNXBMFYSA-N 316.445 3.218 0 40 DGAB Cc1ccc(C(=O)NC2CCN(Cc3ccccc3F)CC2)o1 58277863 PXHXJIRDBKALJX-UHFFFAOYSA-N 316.376 3.122 0 40 DGAB Cc1c(O)ccc2c(CN3CCC[C@@H]3c3ccc[nH]3)cc(=O)oc12 58355599 WKVHZWCVUPTXED-MRXNPFEDSA-N 324.380 3.472 0 40 DGAB O=C(C1CC1)N1CCC[C@H]1C1CCN(Cc2ccccc2)CC1 58316205 RQAHUZYXGBSDKK-IBGZPJMESA-N 312.457 3.300 0 40 DGAB C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1cccc(F)c1 58343968 GFXRTWNWPCDWHV-BZNIZROVSA-N 320.339 3.059 0 40 DGAB O=C(c1cnsn1)N1CCC[C@@H]1c1nc2ccccc2s1 58419224 IKQOIIRRJSZTCM-LLVKDONJSA-N 316.411 3.125 0 40 DGAB NCCSc1nnc(-c2cccs2)n1-c1ccccc1 3311794 XBIILKRAILLBLG-UHFFFAOYSA-N 302.428 3.047 0 40 DGAB CC(C)c1nn(C)cc1-c1nc2ncc(Br)cc2[nH]1 48264268 XYHWYOLLASBNRO-UHFFFAOYSA-N 320.194 3.244 0 40 DGAB in-vitro CCc1nnc(COc2ccccc2C(=O)Nc2ccccc2)o1 12972410 PAAWMTSOBXAHHR-UHFFFAOYSA-N 323.352 3.463 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCCCCC2)c1C 13058015 ZOPVZLGKEGPZMP-AWEZNQCLSA-N 320.433 3.255 0 40 DGAB Cc1cc(O)c(-c2cc(C(=O)Nc3cccnc3)n[nH]2)cc1C 13121732 ZFAGLPJUIQPOBH-UHFFFAOYSA-N 308.341 3.046 0 40 DGAB O=c1c2c3c(sc2ncn1Cc1cccc(F)c1F)CCC3 8547413 LXAVSGMUZPVXQB-UHFFFAOYSA-N 318.348 3.273 0 40 DGAB CC(C)=CC(=O)Nc1cc(CN2CCSCC2)ccc1C 69848650 QMYNMWPKDWUBIU-UHFFFAOYSA-N 304.459 3.449 0 40 DGAB CCC1(CC)[C@@H](NC(=O)Nc2ccc3c(c2)COC3)C[C@@H]1OC 92162696 YJQNJYYGRKNWRO-HOTGVXAUSA-N 318.417 3.432 0 40 DGAB O=C([C@@H]1CCCN1C(=O)c1cccs1)N1CCCCCCC1 70675299 KEGVRRAFRMUCGC-AWEZNQCLSA-N 320.458 3.145 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)OCCCO2 14170778 MZASJGXXQAPAKN-UHFFFAOYSA-N 316.357 3.024 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1OC 14198213 SMVCPIBZVDEMJQ-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB COc1ccc(C(=O)Nc2nonc2-c2ccc(C)cc2)cc1 5482773 KYUBUGLGVYEPNB-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cc1ccc(/C=C2\NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 4699076 MAXFXBLBUZJLSJ-ZSOIEALJSA-N 316.744 3.334 0 40 DGAB CCSCCC(=O)N1CCC[C@H]1c1cccc2c1OCCO2 66769869 QQFNIFZQKYRFMF-AWEZNQCLSA-N 321.442 3.265 0 40 DGAB CCCc1ccc(NS(=O)(=O)c2cccc(C(=O)O)c2)cc1 7055779 MJXQIKROHQYNGK-UHFFFAOYSA-N 319.382 3.138 0 40 DGAB COC(=O)c1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 7030273 LTKJVZGTZCWMLK-NSHDSACASA-N 317.316 3.018 0 40 DGAB CC(=O)N1C[C@H](C(=O)Nc2cc(C)ccc2C)Oc2ccccc21 15518926 DQEUTMHMJAXDKY-GOSISDBHSA-N 324.380 3.056 0 40 DGAB CCOC(=O)[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 68946690 KZMXYIQQOFAQBV-GOSISDBHSA-N 324.380 3.288 0 40 DGAB C/C(=C\c1ccccc1)CN1CCC(N(C)c2cccnn2)CC1 93272614 BSGIANFUAZIZAG-BMRADRMJSA-N 322.456 3.481 0 40 DGAB CCCCn1c(=N)n(C[C@H](O)c2ccccc2)c2ccccc21 19854800 IAHKTJGHECZFPP-SFHVURJKSA-N 309.413 3.456 0 40 DGAB CN(C(=O)CC1CC1)c1ccc(NC(=O)CC2CC2)cc1F 96448283 IYBKIYOHRSHQRC-UHFFFAOYSA-N 304.365 3.327 0 40 DGAB CC[C@@H](NC(=O)NCc1ccc(Cl)nc1)c1nc(C)cs1 71856629 CJNCUUQKYDKDDH-LLVKDONJSA-N 324.837 3.450 0 40 DGAB CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CCCC1 19909610 PYGQBIFJGFTZMV-UHFFFAOYSA-N 317.838 3.268 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)C1 71905358 LHNJVNXCYVHORZ-CXAGYDPISA-N 320.408 3.271 0 40 DGAB CCC(C)(C)c1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 9667422 ZOVUNVCMGNEXJB-UHFFFAOYSA-N 319.386 3.207 0 40 DGAB CC(C)Cn1cc(N[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 97038684 VTAJJQIRTNOSFC-ZDUSSCGKSA-N 321.446 3.116 0 40 DGAB Brc1cncc(-c2nccn2Cc2nccs2)c1 97085720 UISBZIZZDIEJTK-UHFFFAOYSA-N 321.203 3.212 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2cccc(C)n2)cc1 97037066 PSEWWLBNSHFHSF-CYBMUJFWSA-N 319.430 3.325 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1cnc2cc(C)ccn12 72298383 JYDSPZBDUANGIC-MRXNPFEDSA-N 309.417 3.026 0 40 DGAB COc1ccc(/C=C/c2ncc(/C=C/C(=O)O)s2)cc1OC 72312328 WCKSELLTEWAVGC-NSLJXJERSA-N 317.366 3.429 0 40 DGAB Fc1ccccc1CCN[C@@H]1CCN(CCc2ccccc2)C1 78648549 FTHINRFWTMPYLJ-LJQANCHMSA-N 312.432 3.275 0 40 DGAB CN(C)c1nc(CN[C@H]2CSCCc3ccccc32)cs1 95423557 HMKBVOIFRNBYIX-HNNXBMFYSA-N 319.499 3.329 0 40 DGAB C[C@H]1CC=CC[C@@H]1COC(=O)CCn1c(=O)oc2ccccc21 60914967 BRAWSDVIAHMFOE-UONOGXRCSA-N 315.369 3.130 0 40 DGAB C[C@@H]1CCN(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 548758240 SJEBJLOKNLIQOD-CYBMUJFWSA-N 312.417 3.204 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)c(F)c1 32804034 MGRNUEGLPOBZJL-UHFFFAOYSA-N 305.353 3.386 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(OC)c(OC)c2)cc1C 74959672 FRPPZKJHNVDPHI-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)/C=C/c1ccco1 74456247 JUEHOHHXYCIQJL-SNAWJCMRSA-N 316.304 3.427 0 40 DGAB COc1ccc(C(=O)NCc2ccc(Br)cc2)cc1 34417092 AXLUWPTUJKNCQS-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1cccnc1 71287738 XVXCKTKIRINJGE-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB COc1ccc(C(=O)N2CCOC23CCCCC3)cc1Cl 35671186 KMPQQXQSPMKMKP-UHFFFAOYSA-N 309.793 3.481 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H](C)n2cc(Br)cn2)c1 32611621 CJMLGNLEHZEBGL-NSHDSACASA-N 322.206 3.462 0 40 DGAB O=C(NCCCC(=O)N1CCCCC[C@H]1c1ccco1)C1CC1 76651976 AJWNIIQWZJXKQN-HNNXBMFYSA-N 318.417 3.030 0 40 DGAB CCOC1(C(=O)Nc2ccc(OCCOC)cc2)CCCCC1 225709683 VBOFCHBHNQYJSR-UHFFFAOYSA-N 321.417 3.390 0 40 DGAB Cc1cc(CNC(=O)c2ccc3nc(Cl)oc3c2)c(C)n1C 225985269 CFPCZLAEPYRMPS-UHFFFAOYSA-N 317.776 3.367 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccccc2OC)cc1C 225373777 ZFGPIFDGHZHZCE-AWEZNQCLSA-N 313.397 3.432 0 40 DGAB CC(C)c1ccc(OCCOC[C@@H](O)CN2CCCCC2)cc1 40373224 UOMMZFUQBUZERI-SFHVURJKSA-N 321.461 3.052 0 40 DGAB Cc1ccc(CNCc2cccn2C)c(OC[C@H]2CCOC2)c1 88753577 OQEVJTGLEMWMKI-INIZCTEOSA-N 314.429 3.039 0 40 DGAB O=C1CCc2ccc(N[C@@H]3CCN(Cc4ccccc4)C3)cc2N1 96482892 GTVXBBTUKYSJST-GOSISDBHSA-N 321.424 3.258 0 40 DGAB C[C@@H]1NC(=S)N(c2cccc(COC3CCCCC3)c2)C1=O 96134077 DEDAAAITRNZRPR-LBPRGKRZSA-N 318.442 3.146 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 96467568 ZESFKNFDMVYKPB-XJKSGUPXSA-N 302.443 3.351 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccncc1 96224015 MZKHNZIXBGBMPM-QGZVFWFLSA-N 321.380 3.379 0 40 DGAB C[C@@](O)(CC(=O)N1CCc2c(F)cccc2C1)c1ccccc1 97236614 XDSGCRUTUOBFSQ-LJQANCHMSA-N 313.372 3.008 0 40 DGAB COc1ccc([C@H](C)NC(=O)NCc2cccnc2C)cc1F 527635128 ISRBHOPVMVSGQV-LBPRGKRZSA-N 317.364 3.098 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H]3CNCC[C@@H]3O[C@H]21 257269278 MPIADRJTPOIXMN-NZUILWFCSA-N 317.429 3.312 0 40 DGAB CCc1ccc(C(=O)N2CCC3(CC2)OCCC[C@H]3OC)cc1 257314912 UZDCPXJTJXMGRQ-QGZVFWFLSA-N 317.429 3.049 0 40 DGAB C[C@@H](NC(=O)C(F)F)c1ccc(Oc2cccnc2)c(F)c1 252487593 HXXBLXRUBSTGHX-SECBINFHSA-N 310.275 3.455 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257304266 SKUUYPBRNQRAKG-QGZVFWFLSA-N 324.380 3.173 0 40 DGAB Cn1cc(NC(=O)NC2(Cc3ccc(Cl)cc3)CCC2)cn1 571831129 GVDCWHNXJZPPLT-UHFFFAOYSA-N 318.808 3.360 0 40 DGAB Cc1nc(C(C)C)sc1[C@H](C)NC[C@]1(O)CCSC1 97017195 SOJMWKMEIFQMMM-IINYFYTJSA-N 300.493 3.094 0 40 DGAB Cc1[nH]ccc1C(=O)N(CC(C)C)C[C@H](O)c1ccc(F)cc1 89536713 IOCQDMFYEGBHLJ-KRWDZBQOSA-N 318.392 3.294 0 40 DGAB C[C@H](NC(=O)NCCc1nccs1)[C@H](C)c1ccccc1 83202440 HQMYRJXSZPEWGM-STQMWFEESA-N 303.431 3.177 0 40 DGAB O=C(/C=C/c1c(Cl)nc2sccn12)OCc1ccco1 3241502 PYSRIROJLPBBHX-ONEGZZNKSA-N 308.746 3.399 0 40 DGAB CC(=O)CC(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 5382999 ICAGOCPXCSRIJK-UHFFFAOYSA-N 315.756 3.489 0 40 DGAB CC(C)c1ccc2c(c1)s/c(=N/C(=O)c1ccno1)n2C 12491938 IHLZPNNXIUQXAV-BMRADRMJSA-N 301.371 3.092 0 40 DGAB CCC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 15954165 QQRYQGYWFJBEFE-YTQUADARSA-N 317.429 3.300 0 40 DGAB biogenic CCCc1cc([C@@H]2CCCCCN2Cc2cnn(C)c2)no1 19525419 LCOGUQJRZIRJMB-KRWDZBQOSA-N 302.422 3.478 0 40 DGAB O=C(CCC1CCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924434 HVSCLTJYLNOOGP-INIZCTEOSA-N 314.429 3.126 0 40 DGAB Cn1nc([C@@H]2CCCN(Cc3ccccc3)C2)c2cccnc21 19289495 NUWDEPBFYINOHI-MRXNPFEDSA-N 306.413 3.348 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ccnc(C(C)(C)C)n2)C1 1889093029 BPNLPLHHVIXGPG-CQSZACIVSA-N 312.417 3.135 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2nc3cnccc3s2)C1 1889139357 UEMBJVFLLLESPE-LBPRGKRZSA-N 312.398 3.052 0 40 DGAB CN(C)CCN(C(=O)C1CCC1)c1nc2c(F)cccc2s1 36642579 ZJZNQXYGZRFBPK-UHFFFAOYSA-N 321.421 3.130 0 40 DGAB CCOc1ccc2cc(C(N)=O)/c(=N/c3ccccc3)oc2c1 193150 LJQLRLXXCLKHOR-ZZEZOPTASA-N 308.337 3.163 0 40 DGAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1C 4304836 CQYNOADDYOJJKJ-UHFFFAOYSA-N 314.410 3.187 0 40 DGAB O=C(Cc1cc(-c2ccc(F)cc2)on1)NCCc1ccccc1 11693134 LAMFRAPTYNMPGD-UHFFFAOYSA-N 324.355 3.382 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1csc(-c2cnccn2)n1 44123164 CTFUDXSDYCUWLB-NSHDSACASA-N 322.393 3.192 0 40 DGAB CCN(C(=O)CCCn1cccn1)[C@@H](C)c1cccc(OC)c1 50311943 WHRCMTXXHRXDNA-HNNXBMFYSA-N 315.417 3.282 0 40 DGAB Nc1nc(SCC(=O)c2ccc(F)cc2)nc2sccc12 31787406 YXINHDMOAJYIJQ-UHFFFAOYSA-N 319.386 3.388 0 40 DGAB CCc1c(C)sc2nc(O)n3nc(-c4ccco4)nc3c12 32093745 XOBMWRZHDIFQIF-UHFFFAOYSA-N 300.343 3.175 0 40 DGAB COc1cccc2cc(C(=O)Nc3ccc(C)cc3)c(=O)oc12 122373 IEVIUFYDGZWVDK-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCOc1ccc2[nH]cc(C(=O)c3cccc(OC)c3)c(=O)c2c1 248809 RMYZPAICRJTEEG-UHFFFAOYSA-N 323.348 3.166 0 40 DGAB C[C@@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(-n2ccnc2)cc1 29329190 VXKCZSORDFZLRY-CYBMUJFWSA-N 324.428 3.421 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc(F)cc1F 16969893 LKPAXZQUABKHOK-UHFFFAOYSA-N 301.296 3.412 0 40 DGAB CC1(C)Oc2cc(NC(=O)c3ccc(F)cc3)ccc2NC1=O 46088410 JSOKOVDMEUNGTM-UHFFFAOYSA-N 314.316 3.188 0 40 DGAB COc1ccccc1COC1CCN(c2ncccc2F)CC1 91980442 XSXZHXCUYHTBRP-UHFFFAOYSA-N 316.376 3.415 0 40 DGAB CCn1cc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cn1 2804636 UXZJOCPVIKIYDD-UHFFFAOYSA-N 320.396 3.354 0 40 DGAB COC(=O)c1cc(Cl)ccc1NC[C@H](N)c1ccccc1 6385195 ANXVXWZPNGQZLG-AWEZNQCLSA-N 304.777 3.239 0 40 DGAB Fc1ccc(C2=C[C@@H](c3ccccc3F)n3nnnc3N2)cc1 101052654 MFGLCMJQOMSMDH-HNNXBMFYSA-N 311.295 3.007 0 40 DGAB Cc1ccc(-c2nnc([C@H](C)Sc3nnc(N)s3)o2)cc1 8293682 ZMYVFTVLEMXVSZ-QMMMGPOBSA-N 319.415 3.332 0 40 DGAB COc1cccc(CN(C)C(=O)N[C@H]2CCCC[C@H]2C)c1OC 32863290 BVJKTIOFESNBFT-HIFRSBDPSA-N 320.433 3.424 0 40 DGAB CCC[C@H](C)c1cc(NS(=O)(=O)Cc2ccccc2)[nH]n1 89949484 OIPQWCDEOICDCT-LBPRGKRZSA-N 307.419 3.255 0 40 DGAB Cc1ccc(-c2cc(C(=O)N(C)Cc3ccncc3)on2)cc1 52985452 RPYYKTLZXXZNDQ-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102798634 XOFPARRMSVVCOW-AKHDSKFASA-N 312.457 3.203 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@H]1C[C@H](O)c1ccccc1 76082174 HKLCMVBPAHBROC-RDJZCZTQSA-N 314.385 3.077 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)c1cccnc1N1CCCC1 23701578 WAEPLVSKEAYIOA-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB CC(C)(NC(=O)NCCCn1ccnc1)c1cccc(Cl)c1 76018673 CPOVRTGHMMPAIC-UHFFFAOYSA-N 320.824 3.161 0 40 DGAB C[C@@H](NC(=O)CN1CCC[C@H]1c1cccn1C)c1cccs1 106029768 UNHQOQPYBKUAQF-HIFRSBDPSA-N 317.458 3.101 0 40 DGAB Cc1ccc(NC(=O)Nc2ccnc(-c3cccnc3)n2)cc1 1390011 FCFZSPVQFIPQML-UHFFFAOYSA-N 305.341 3.491 0 40 DGAB c1ccc2c3c([nH]c2c1)[C@H]1[C@@H]2CC[C@H]([C@H]4CCCN[C@H]42)N1CC3 101178750 SBGPASZOVGSOFJ-FEBARNBZSA-N 307.441 3.228 0 40 DGAB CCN(CC)CCNC(=O)CCSc1ccccc1Cl 3231130 MAUPTSCMXJLCIW-UHFFFAOYSA-N 314.882 3.280 0 40 DGAB CC(C)c1cc(C(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)n[nH]1 77140860 RPKZIGJQJWPREI-GXTWGEPZSA-N 303.793 3.472 0 40 DGAB CCCc1noc([C@H](C)Nc2cc(OC)c(OC)c(OC)c2)n1 44584948 OSCNRHFLIZVJKS-JTQLQIEISA-N 321.377 3.221 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1nc(-c2ccc(F)cc2)no1 58279605 UBLWQGIKFNHNNF-DGCLKSJQSA-N 315.348 3.409 0 40 DGAB C[C@H](NC[C@H]1CNc2ccnn2C1)c1cccc2ccccc12 58296382 SIVHCJXOISTWKQ-GJZGRUSLSA-N 306.413 3.429 0 40 DGAB CC[C@H](Sc1ncc2ccccn12)C(=O)Nc1cc(C)on1 58377848 GXXPSVACHBZEJI-LBPRGKRZSA-N 316.386 3.140 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)c1ccn(-c2ccccc2)n1 58379583 OFNVTZOIWCSDBA-UHFFFAOYSA-N 321.384 3.040 0 40 DGAB Brc1cccc(CN2CCCN(C3CC3)CC2)c1 58405701 KLPDGBNGHWWRPP-UHFFFAOYSA-N 309.251 3.119 0 40 DGAB CCCOc1ccc(CNC(=O)c2ccc(OC)c(O)c2)cc1 79000351 YLAFIKHXYBEJEO-UHFFFAOYSA-N 315.369 3.120 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cc2c(s1)-c1ccccc1CC2 12811844 HNTRGJINOBFRAU-AWEZNQCLSA-N 313.422 3.423 0 40 DGAB Cn1cc(C(=O)O[C@H](C(=O)c2ccccc2)c2ccccc2)cn1 12848811 WAZSSLFKHWQTSM-SFHVURJKSA-N 320.348 3.201 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)Nc2cccnc2Cl)c1 3401021 WEMCSRSUPGOZJC-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CCOc1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 12995623 BTNRWXYCZJVXAE-SFHVURJKSA-N 311.381 3.268 0 40 DGAB Cc1noc2nc(-c3ccccc3)cc(C(=O)NCC3CC3)c12 13005338 AHAMHEDRXFZJKF-UHFFFAOYSA-N 307.353 3.338 0 40 DGAB COC(=O)COc1cc(C)cc2oc(=O)cc(-c3ccccc3)c12 3892448 RGTHKKIPJYHCBT-UHFFFAOYSA-N 324.332 3.320 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69583939 CSDATQFJVZTOHK-BXUZGUMPSA-N 304.390 3.306 0 40 DGAB CCOc1ccc(C2=NN(C(C)=O)[C@H](c3ccc(O)cc3)C2)cc1 4539044 NHUYWEXMQCJMGM-IBGZPJMESA-N 324.380 3.489 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1cc(-c2ccccc2)on1 14234504 QYSWTMUVWIQKLQ-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1ncccn1 5536481 VGFNIZRCQTWHJC-UHFFFAOYSA-N 314.732 3.346 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1cccc2c1OCCO2 66771669 PPIVSWXXMFNSBL-GOEBONIOSA-N 313.397 3.478 0 40 DGAB O=C(Nc1ccccc1O)C1CCN(CCc2ccccc2)CC1 15043113 POYTUDZZIRWVBH-UHFFFAOYSA-N 324.424 3.285 0 40 DGAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCc2ccccc2C1 15480252 YYFDTTFFJBOZHK-CVEARBPZSA-N 308.425 3.311 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1ccc2nsnc2c1 15841217 KCBPRHVYCLQMMD-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 7652807 ITIIVACFSNMFGL-INIZCTEOSA-N 300.333 3.032 0 40 DGAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccccc1F 8071693 SYRQLZKQXQHYOG-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)[C@H]1CC=CCC1 71908855 XAQPSJJUKJBIKF-NSHDSACASA-N 317.776 3.363 0 40 DGAB Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)O 97018274 HIUGRFSOYAYGNS-DGCLKSJQSA-N 303.383 3.248 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2c2ncnc3ccccc23)c1 72276481 XTUVRIFJDJGIBT-HNNXBMFYSA-N 307.401 3.194 0 40 DGAB COC(=O)C1(C(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)CC1 97146468 CEFSVIKKZRWHOR-SECBINFHSA-N 321.760 3.217 0 40 DGAB Cc1ccc(-c2nnc(CN3CCC(c4cn[nH]c4)CC3)o2)cc1 97203475 LWTQQBBMIIQCBV-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB O=C(NCCCO)Nc1c(F)cc(F)cc1-c1ccccc1 84560038 YZAAXMPNLYRNKV-UHFFFAOYSA-N 306.312 3.136 0 40 DGAB CCc1nc(CC)n(Cc2nnc(-c3ccc(Cl)cc3)o2)n1 95426077 RZQGZJDYVKZGLI-UHFFFAOYSA-N 317.780 3.155 0 40 DGAB CSc1ccc(NS(=O)(=O)C[C@@H](C)c2ccccc2)cn1 95466400 UCPOTSTWQDPSKM-GFCCVEGCSA-N 322.455 3.349 0 40 DGAB C[S@@](=O)c1ccc(CN[C@@]2(C)CCc3ccccc3C2)cc1 85329432 XHPPDRWPOFSSNC-UGKGYDQZSA-N 313.466 3.461 0 40 DGAB O=C1S/C(=C/c2cccs2)C(=O)N1CN1CCCCC1 20265836 MCWCMOZEDVETAE-FMIVXFBMSA-N 308.428 3.228 0 40 DGAB Cc1nc(CCNC(=O)CCSc2ccc(F)cc2)c(C)o1 89547994 QMAPWVPUNCUEKM-UHFFFAOYSA-N 322.405 3.272 0 40 DGAB Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@H](C)c1ccccc1 89526383 FGUNZDJOTKICHF-AAEUAGOBSA-N 322.430 3.076 0 40 DGAB CC(C)(C)c1nc(COc2cccc3c2CCC[C@@H]3O)no1 89725280 AHJVHBJLWUGAAJ-ZDUSSCGKSA-N 302.374 3.316 0 40 DGAB CC(C)Nc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@H]3C2)c1 89887730 RMUFLXUWWLQHJY-QFBILLFUSA-N 316.445 3.274 0 40 DGAB C[C@@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)OCO2 27975530 OHIJKDOHPPUAAQ-SECBINFHSA-N 321.279 3.100 0 40 DGAB CC(C)Sc1nnc(-c2ccc(Cl)cc2Cl)n1N 10538566 GOJITFCGBLVQPN-UHFFFAOYSA-N 303.218 3.466 0 40 DGAB CC(C)c1ccc2c(c1)CCCN2C(=O)CCCn1cncn1 79043894 QGLACDFERBDJJJ-UHFFFAOYSA-N 312.417 3.161 0 40 DGAB C[C@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 70639606 PJPMKYUTMFJTGL-INIZCTEOSA-N 323.314 3.343 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)c1ccc(F)cc1 36393841 HNKQCBPWCIFCFS-UHFFFAOYSA-N 314.360 3.472 0 40 DGAB COc1cccc(NC2CCN(C(=O)[C@@H](C)CSC)CC2)c1 77016897 GQDQTBFCCXMKCK-ZDUSSCGKSA-N 322.474 3.097 0 40 DGAB COCc1cc(=NCC(c2ccccc2)c2ccccc2)[nH]cn1 573236162 PBQRMJCLDHRYQV-UHFFFAOYSA-N 319.408 3.289 0 40 DGAB COc1cccnc1NC(=S)NCCSc1ccccc1 225285584 PKLNUKNHNQYKMD-UHFFFAOYSA-N 319.455 3.169 0 40 DGAB CSc1ccccc1NC(=O)c1cc(N2CCCC2)ncn1 225535976 MARJCJPEVBFEFU-UHFFFAOYSA-N 314.414 3.051 0 40 DGAB Cc1ncccc1NC(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 226749475 YYSAYPDKRFTKKZ-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB C[C@H](CNC(=O)NCc1cccnc1)Oc1ccc(Cl)cc1 80633165 DEABVNJAGQXKQR-GFCCVEGCSA-N 319.792 3.002 0 40 DGAB c1cncc(COC[C@H]2CC3(CCN(C4CCC4)CC3)CO2)c1 96106157 MRFYQGIHRDRDSW-GOSISDBHSA-N 316.445 3.022 0 40 DGAB C[C@H](N[C@@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccncc2)c1 90181863 CJDYFDHYWHGFMT-KBXCAEBGSA-N 321.424 3.163 0 40 DGAB Cc1ccc(NC[C@@H]2CCN(Cc3cnc(C)s3)C2)nc1 97200521 PTMXWCKIPYTARM-AWEZNQCLSA-N 302.447 3.089 0 40 DGAB Cc1ccc(CN2CC[C@H]3OCCN(CC4CC4)[C@@H]3CC2)s1 96249304 BIMIPXCXRUOKAD-QZTJIDSGSA-N 320.502 3.132 0 40 DGAB C[C@@H](NC(=O)c1c(F)cccc1Br)c1cccnc1 96454166 AUEBBTJSHPIGNF-SECBINFHSA-N 323.165 3.474 0 40 DGAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccncc1 96412198 HAWIHHBDVNFJOK-IAQYHMDHSA-N 304.777 3.241 0 40 DGAB C[C@@H]1C[C@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC(C)(C)C1 97236246 GBPVYKCZBUGZMB-OCCSQVGLSA-N 317.433 3.184 0 40 DGAB CC(C)(C)OC(=O)CC[C@@H]1CCCCN1Cc1csnn1 585088813 NSNCBHKEOXDMSK-ZDUSSCGKSA-N 311.451 3.015 0 40 DGAB c1ccc2c(CN3CCO[C@H](c4cnccn4)C3)cccc2c1 257339110 ZAGHMLNMOAKUOU-IBGZPJMESA-N 305.381 3.203 0 40 DGAB O=C(c1cccs1)N1CCC(c2cccc3nccn23)CC1 257206764 BEUVQVOJZAEAHA-UHFFFAOYSA-N 311.410 3.416 0 40 DGAB c1ccc(-c2ncc(CN3CCC[C@H](c4ccn[nH]4)C3)cn2)cc1 257311127 UICKOZRPSOPWKJ-KRWDZBQOSA-N 319.412 3.246 0 40 DGAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2cnc(C)s2)cc1 585139844 YSUHRBBIVUWNRS-LVZFUZTISA-N 323.421 3.351 0 40 DGAB Cc1noc([C@H](C)Sc2nnc3sc4ccccc4n23)n1 48235954 FZLJNNWAWQLJNC-ZETCQYMHSA-N 317.399 3.489 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(C(=O)N[C@@H](C)CC)cc1C 69202046 ZAZODLYPWQBDRP-STQMWFEESA-N 305.422 3.443 0 40 DGAB CCOc1ccccc1CNC(=O)N[C@H](C)c1nc(C)cs1 69285527 WOGMNZZXGWUIGM-GFCCVEGCSA-N 319.430 3.411 0 40 DGAB Cc1cc(CN2CCN([C@H](C)c3ccccc3F)CC2)no1 69514000 PSLVRNSMVUMDMO-CQSZACIVSA-N 303.381 3.001 0 40 DGAB Cc1nc(/C=C/C(=O)N2CC[C@@H](Nc3ccccc3)C2)cs1 69705651 MIJWPKOKJNLESA-MVGZEHJDSA-N 313.426 3.178 0 40 DGAB CCn1c(CN[C@@H](C)[C@H](C)n2cccn2)nc2cc(F)ccc21 70018035 RUMYZRYSMCYEJT-STQMWFEESA-N 315.396 3.131 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ncccc2F)CC1 195558705 IDEOOUYWAJDOFT-ZDUSSCGKSA-N 323.412 3.100 0 40 DGAB O=C(Nc1ccc(Cl)c(Br)c1)c1ccon1 84727044 NKCNNSWOXVPFOP-UHFFFAOYSA-N 301.527 3.343 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1c[nH]c2ccccc2c1=O 5974908 IRKIMPUKNZIHQR-UHFFFAOYSA-N 312.756 3.112 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 5027855 LPHDWJWQVGENST-CUFDPUGPSA-N 301.773 3.037 0 40 DGAB Cc1ncc(C(=O)NC2(c3cccc(F)c3)CCCC2)c(C)n1 12197785 OPHFKQMWDMMEDA-UHFFFAOYSA-N 313.376 3.432 0 40 DGAB Cc1nc(-c2coc3cc(C)c(N=O)c(O)c3/c2=N/N)cs1 13683395 FKSWVDXEZMJGAD-GHRIWEEISA-N 316.342 3.051 0 40 DGAB Fc1ccc(-c2[nH]c3ncccc3c2CN2CCOCC2)cc1 19345211 FURHCRYTCUGALB-UHFFFAOYSA-N 311.360 3.201 0 40 DGAB C[C@H](C(=O)N[C@@H](C[S@](C)=O)c1ccccc1)c1cccs1 205466150 MZEUKIYRDDDQQA-VUCVNMQBSA-N 321.467 3.088 0 40 DGAB Cc1ccc2nc(N3CCC[C@@H](NC(=O)C4CC4)C3)sc2c1 1889116971 LJLYYBMSMJCJCX-CYBMUJFWSA-N 315.442 3.100 0 40 DGAB O=C(NC1CCCCC1)c1ccccc1OC[C@H]1CCCO1 32491749 MJMRMMORDXNIBV-OAHLLOKOSA-N 303.402 3.307 0 40 DGAB O=C1NCCC[C@H]2[C@H]1C[C@@H](c1ccc(F)cc1)N2C1CCCC1 2037976888 CVVCPBLUNWBUOG-SQNIBIBYSA-N 316.420 3.410 0 40 DGAB Cc1ccc(CCP(=O)(O)CCc2ccc(C)nc2)cn1 49521 QBXOLGXHXOKGRE-UHFFFAOYSA-N 304.330 3.149 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3F)ccc21 9827698 MUQFIXWKXYIHKG-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB CCn1nccc1C(=O)Nc1nc2ccc(SC)cc2s1 11695998 LHWGOCJNCQGXLK-UHFFFAOYSA-N 318.427 3.487 0 40 DGAB O=C(Nc1ncccc1O)c1ncoc1-c1ccccc1Cl 97371220 MJVRTAOGEISTNI-UHFFFAOYSA-N 315.716 3.348 0 40 DGAB Cc1cccc(NC(=O)c2sc3nc(C)cc(C)c3c2N)n1 48945 CYPUTUMIBPFZRV-UHFFFAOYSA-N 312.398 3.451 0 40 DGAB O=C(Nc1nc(-c2cc(F)ccc2F)cs1)c1cnsn1 40150777 VAJJBLWTKAYSJE-UHFFFAOYSA-N 324.337 3.192 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2cccc(-c3ccnc(C)n3)c2)c1 31121564 JCLBIOPWPXIPQG-UHFFFAOYSA-N 320.352 3.235 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(Cl)s1 50921874 ONFVHMIEBDVROP-SECBINFHSA-N 301.795 3.261 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)NCCC1=CCCCC1 8230442 QAARJPHMKKDVJG-CQSZACIVSA-N 315.417 3.203 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1c(C)noc1C 69701983 TXRCNSWMNDFZIS-UHFFFAOYSA-N 317.345 3.074 0 40 DGAB CC(C)N(C(=O)CN1C(=O)[C@H](C)Sc2ccccc21)C(C)C 1337781 VABMTMMOQWXKOZ-ZDUSSCGKSA-N 320.458 3.159 0 40 DGAB Cc1oc(-c2ccsc2)nc1COn1nnc2ccccc21 69771157 RFTNAOKXINRSOT-UHFFFAOYSA-N 312.354 3.085 0 40 DGAB CCOC(=O)C1=Cc2cc(Cl)cc(Br)c2OC1 2599369 OGYSUWAECFNCSR-UHFFFAOYSA-N 317.566 3.441 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(F)cc2)nc1C 377349 SFXOSXAIBKPFGA-UHFFFAOYSA-N 308.334 3.020 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 3614549 JPSYYJNTEARLSC-LLVKDONJSA-N 303.333 3.334 0 40 DGAB C[C@H]1CC=CC[C@@H]1COC(=O)C(=O)OC[C@@H]1CC=CC[C@@H]1C 4578667 HKCVPIRKQKHQSU-YHUYYLMFSA-N 306.402 3.277 0 40 DGAB Cc1csc(CNC(=O)c2nc(-c3ccccc3)oc2C)n1 21482157 SDSAHBGONWSINU-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2ncsc2c1 2629828 CAJPVOOSEXALQY-UHFFFAOYSA-N 312.350 3.320 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(C)cc1 100555490 FPVOCSBUPCPYRH-KSWRQPAISA-N 313.397 3.085 0 40 DGAB CCc1nc(-c2ccc(-c3ccc(OC)cc3)nc2OC)no1 498584 YBVQALDYLYRJCN-UHFFFAOYSA-N 311.341 3.378 0 40 DGAB CCn1cc(-c2cc(C(=O)N(C)C)c3ccccc3n2)c(C)n1 2809580 DSMNHWSETIRCMX-UHFFFAOYSA-N 308.385 3.128 0 40 DGAB O=C(Cc1cccs1)NCc1coc(-c2cccs2)n1 23195007 GXSBDKUBCLRNOA-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104811763 ILKHTYLXMMANEQ-IXOXFDKPSA-N 306.431 3.261 0 40 DGAB Cn1nccc1CNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 76041379 WDFZCZOSJLNLSZ-KBPBESRZSA-N 324.211 3.147 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1nc2c(C)ccc(C)c2s1)C(C)C 24553774 ARIPVWYNUKMMCI-LBPRGKRZSA-N 319.430 3.012 0 40 DGAB O=C(Nc1nncs1)N[C@@H](c1ccc(Cl)cc1)C1CC1 43128090 KQHFYAPVWZIGES-LLVKDONJSA-N 308.794 3.464 0 40 DGAB CC(C)(C)n1nc(C(=O)OC2([C@H]3CCOC3)CC2)cc1C1CC1 76090195 LDQOQZRYECHMTM-ZDUSSCGKSA-N 318.417 3.241 0 40 DGAB O=C(O)c1cc(-c2ccccc2)nc2c1cnn2Cc1ccco1 12505253 CEGALBYAHSRKPS-UHFFFAOYSA-N 319.320 3.438 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1O2)N(Cc1ccccc1)Cc1ccco1 107498680 OZAVVJPJLIIKPP-KBAYOESNSA-N 311.381 3.376 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2sccc2C1 57438488 OUKODFNAPCPUHH-SNVBAGLBSA-N 321.833 3.182 0 40 DGAB O=C(Cc1ccccc1Cl)NCCCN1CCCCCC1 57288911 WVVDTWLMLRZCGB-UHFFFAOYSA-N 308.853 3.265 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2C)c1 10277505 MOIBBDCIANKLQA-IIYDPXPESA-N 302.418 3.385 0 40 DGAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3cccc(F)c3)CC2)C1 48045871 PBMNSNUBQSBXFP-OAHLLOKOSA-N 318.436 3.296 0 40 DGAB COCCn1cc(NC(=O)N(C)[C@@H](C)c2ccc(C)s2)cn1 44973151 HTVMCNFDLGIRCF-LBPRGKRZSA-N 322.434 3.124 0 40 DGAB CC[C@@H](Nc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 58377890 NVYZHNYQKSKWMA-LJQANCHMSA-N 323.440 3.226 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1c(C)noc1C 12680937 HVAWJPPXPKHDIM-JTQLQIEISA-N 315.373 3.072 0 40 DGAB COc1ccccc1/C=C/C(=O)OCC(=O)c1ccc(F)cc1 3328660 ZQZDTPIGFUMMCI-DHZHZOJOSA-N 314.312 3.274 0 40 DGAB CCCc1noc(CCCC(=O)N2CCc3ccc(F)cc32)n1 59007093 CQQJBYVBNGVNRN-UHFFFAOYSA-N 317.364 3.073 0 40 DGAB CCN1CCC[C@H]1CNC(=S)Nc1ccc(F)c(Cl)c1 3318015 ZRDUFXALZTZLEF-NSHDSACASA-N 315.845 3.250 0 40 DGAB Cc1cc2occ(CC(=O)Nc3ccccc3C(N)=O)c2cc1C 12780818 BGZLDQCMKNCTIJ-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB C[C@@H]1CCCCN1C(=O)COC(=O)c1cccc2ccccc12 3438414 NQLNJZBZYJVURP-CQSZACIVSA-N 311.381 3.398 0 40 DGAB O=C1C(=O)N(C2CCCC2)C(=O)N1Cc1cccc2ccccc12 3544117 QBUSGYGEERUVLO-UHFFFAOYSA-N 322.364 3.073 0 40 DGAB CC[C@H](NCc1ccccc1)c1ccccc1OCC(=O)NC 48749799 CBULMKWRNDLSRG-KRWDZBQOSA-N 312.413 3.052 0 40 DGAB CCCCCN(C(C)=O)[C@H](C)c1nc2ccccc2c(=O)[nH]1 4025595 SXINUBRNIDBXOZ-GFCCVEGCSA-N 301.390 3.023 0 40 DGAB COc1cccc(N[C@H]2SC(=O)N(c3ccccc3)C2=O)c1 4168932 GRCDDKPFKUODAG-AWEZNQCLSA-N 314.366 3.333 0 40 DGAB aggregator Cc1nccn1-c1ccc(NS(=O)(=O)c2cccs2)cc1 28577245 ICBBYTGADBNZAZ-UHFFFAOYSA-N 319.411 3.043 0 40 DGAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(C)cc2)C1=O 4477189 HEFYFBRNCRLZDY-LJQANCHMSA-N 308.381 3.352 0 40 DGAB COc1ccc2c(CC(=O)N[C@H](C)c3ccncc3)coc2c1 14095498 XIIHZGHICKDDJZ-GFCCVEGCSA-N 310.353 3.256 0 40 DGAB Cc1cnc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)s1 14184510 BJLBICOYDABKRZ-JTQLQIEISA-N 308.790 3.295 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cccn3)C2)c1 65608482 YDOMOZVMEDXPAK-OKZBNKHCSA-N 309.413 3.159 0 40 DGAB Clc1ccc(-c2nnn(C[C@@H]3CC3(Cl)Cl)n2)cc1 15355039 GAGNXKJDURNJKA-QMMMGPOBSA-N 303.580 3.187 0 40 DGAB C[C@H]1CN(C(=O)c2cccc3[nH]ncc23)C[C@H](c2ccccc2)O1 67827970 ISEMPBMRSHLCMX-SCLBCKFNSA-N 321.380 3.165 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 7928285 MIMYUTJQGOUWPH-GFCCVEGCSA-N 320.820 3.142 0 40 DGAB c1csc([C@@H](NCc2nnc3n2CCC3)C2CCCC2)c1 93372321 OPVNOPOIUDMABX-INIZCTEOSA-N 302.447 3.307 0 40 DGAB C[C@H](NC(=O)[C@@]1(C)CC1(Cl)Cl)c1nc2ccccc2[nH]1 9466804 FVOZDCKLJAWSOH-ISVAXAHUSA-N 312.200 3.324 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)c1 71793290 CSMQXTFRIGRAMT-IEBWSBKVSA-N 323.392 3.362 0 40 DGAB CSC[C@@H](CCO)N[C@H](C)c1ccc(Br)s1 96478195 LAKLVMFWLRGXAG-RKDXNWHRSA-N 324.309 3.275 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCC[C@@H](C)C2)cc1C 19943719 SJWWNEHCQQYARC-GFCCVEGCSA-N 311.447 3.123 0 40 DGAB Clc1cnc(CN2CCCC[C@@H]2C2OCCO2)c(Cl)c1 97045688 IAXXLWSMZWGTJM-CYBMUJFWSA-N 317.216 3.116 0 40 DGAB COC(=O)Nc1cccc(NC2CCN(CC(C)C)CC2)c1 97037486 NXPJRHZNRFJJIO-UHFFFAOYSA-N 305.422 3.397 0 40 DGAB C[C@H](C(=O)O)[C@H](NC(=O)CCc1ccsc1)c1ccccc1 97018268 QFWSUFHDXSPXNA-LRDDRELGSA-N 317.410 3.259 0 40 DGAB CCCN(Cc1cnn(C)c1)C(=O)N[C@H]1CCCc2occc21 95393130 YJFQXRTWBNGXKB-HNNXBMFYSA-N 316.405 3.012 0 40 DGAB CC(=O)c1csc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)c1 95438298 JCGGKQSGNLYZIT-IINYFYTJSA-N 315.394 3.245 0 40 DGAB CCn1ccnc1CNc1ccc(NC(=O)OC(C)(C)C)nc1 95430871 OILJELPPJJZCIR-UHFFFAOYSA-N 317.393 3.257 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@@H]2CCCSc3ccccc32)C1 95423776 BGQACXYVQHGKIC-GOEBONIOSA-N 318.486 3.460 0 40 DGAB COCCC1(C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2F)CCC1 95415283 KIIXJJVHTTWXMC-TZMCWYRMSA-N 309.356 3.144 0 40 DGAB CCNCc1ccccc1NC(=O)[C@@H](C)c1c(C)noc1C 95971518 YXFXSBMQIYJGBS-NSHDSACASA-N 301.390 3.143 0 40 DGAB C[C@@H](Cc1c(Cl)cccc1Cl)NC(=O)[C@@H]1CCOC1 89839108 ZAZKNXLTUNMXGZ-VHSXEESVSA-N 302.201 3.077 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2ccc(OC)c(Cl)c2)n1 28222772 UTXWULJENDFGSG-UHFFFAOYSA-N 314.172 3.471 0 40 DGAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)C 20106476 MZMATRXSGDWBEY-QGZVFWFLSA-N 314.429 3.065 0 40 DGAB COc1ccc([C@H](C)NC(=O)/C=C/c2cccnc2)cc1F 30934730 HUXPCEDKTXIOQD-ZCRIDZFUSA-N 300.333 3.120 0 40 DGAB O=C1C[C@@H](CNCc2cc3ccccc3s2)CN1C1CC1 517159419 QFACCYUSCNPOJX-LBPRGKRZSA-N 300.427 3.002 0 40 DGAB COc1cc(C)nc(CN2CCOc3c(Cl)cccc32)c1 535289642 XXOJDNZGTYXJFI-UHFFFAOYSA-N 304.777 3.451 0 40 DGAB Cc1cccc(OCCNC(=O)[C@H](C)OCc2ccccc2)c1 32703655 KTWBRGVXSNUCAK-INIZCTEOSA-N 313.397 3.095 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1ccccc1OC(C)C 78996789 VTMMIIQJTFZNQT-GFCCVEGCSA-N 315.417 3.315 0 40 DGAB CC(=O)Nc1ccc(S(=O)(=O)Cc2cc(C)cc(C)c2)cc1 78554085 QVMZVHHIANDSQN-UHFFFAOYSA-N 317.410 3.236 0 40 DGAB O=C(CCCCCNc1ncccn1)N1CCc2ccccc2C1 79483066 CTMWQKDIRSBRMI-UHFFFAOYSA-N 324.428 3.034 0 40 DGAB Cc1ccccc1Cn1cccc(-c2nc(C3CC3)no2)c1=O 75166126 WPKBCIZBBCYMIR-UHFFFAOYSA-N 307.353 3.132 0 40 DGAB CC[C@@H](C(=O)NCC[C@@H](O)c1cccs1)c1ccccc1 77113527 QHBOMKFQRHSROC-HUUCEWRRSA-N 303.427 3.482 0 40 DGAB C[C@@](O)(CNC(=O)c1c(Cl)cccc1Cl)c1ccco1 81836994 IEPVEOWZGVSPHE-CQSZACIVSA-N 314.168 3.224 0 40 DGAB COc1ccc(OC)c(C(=O)c2ccc(C3OCCO3)s2)c1 43210446 DADKYNQHWOZMLM-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccccc1Br 49547731 VRUJNUCJAHIJBM-SECBINFHSA-N 306.163 3.306 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)c1 42646142 BKYXPCFVBWQZMM-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB NC(=O)/C=C/c1ccc(-c2ccc(F)cc2Br)o1 226256398 KPHGRGTWBQVDNJ-ZZXKWVIFSA-N 310.122 3.347 0 40 DGAB Fc1cnc(OC2CCN(CCCc3ccccc3)CC2)nc1 1201671379 IBVCLDYBTAZNCK-UHFFFAOYSA-N 315.392 3.092 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccccn2)C[C@@H]1Cc1cccc(C)c1 96110531 GZGIFYSJSKQBAF-HKUYNNGSSA-N 324.424 3.110 0 40 DGAB CC[C@@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)COCC2 96472352 JHUORNFCNUAGLD-CYBMUJFWSA-N 324.446 3.282 0 40 DGAB c1cc(CN2CCCC[C@H]2c2ncc[nH]2)cc(-n2cccn2)c1 92728463 XMDFKRVZFLGPIK-KRWDZBQOSA-N 307.401 3.323 0 40 DGAB C[C@H](CN[C@@H](C)c1ccc(-n2cnnn2)cc1)c1ccsc1 96478876 KJYLUNXVMURLIJ-OLZOCXBDSA-N 313.430 3.178 0 40 DGAB Cc1ccc(CNC(=O)NCCCCn2ccnc2C)c(C)c1 96439191 JMXKESWIHDZNBH-UHFFFAOYSA-N 314.433 3.088 0 40 DGAB C/C(=C\C(=O)NC[C@@H]1CCOC1)c1ccccc1C(F)(F)F 96425058 JJIWQTGRBGSXBH-OBIHZWKSSA-N 313.319 3.261 0 40 DGAB C[C@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C 96493202 SWFNMBMPDDAPNT-HZMBPMFUSA-N 314.351 3.223 0 40 DGAB CCC[C@@H](NC(=O)NC[C@@H](O)c1cccs1)c1ccccn1 96415453 YPNTWTYVFYBCLQ-ZIAGYGMSSA-N 319.430 3.017 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CNCc1ccccc1C2 95707848 GHDLIGWCCRJZBO-UHFFFAOYSA-N 316.445 3.350 0 40 DGAB O=C(O)/C=C/c1cnc(/C=C/c2ccnn2CC2CC2)s1 585091695 WPPFXYUDWPFNBL-GGWOSOGESA-N 301.371 3.018 0 40 DGAB CSCCN1C[C@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 252485881 BIHHLAJTWWDWQH-OLZOCXBDSA-N 305.365 3.176 0 40 DGAB CC[C@H](O)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1F 585126819 JBWXCLDDHUVJTI-QWRGUYRKSA-N 319.298 3.009 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(Cc2nc3ccccc3n2C)C1 257288365 PTXSQYRUBCOKCK-OAHLLOKOSA-N 323.444 3.060 0 40 DGAB CCOc1ccc(CNCc2ccnn2CC(F)(F)F)cc1 256054521 WQYSOEGPLNPUKR-UHFFFAOYSA-N 313.323 3.134 0 40 DGAB Cc1cn(C)c([C@H]2CN(Cc3ccc4ccccc4c3)CCO2)n1 257231721 GHYCABMBROEQIC-LJQANCHMSA-N 321.424 3.455 0 40 DGAB Cn1nc(CNCc2cc(F)cc(F)c2)cc1C(F)(F)F 256052645 ODJQPNNJEWEPJO-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB CC(C)c1ncc(NC(=O)c2ccc3c(c2)NC(=O)C3(C)C)cn1 293550537 GZPDYDGJMQXDCV-UHFFFAOYSA-N 324.384 3.082 0 40 DGAB Cc1nn(C[C@@H](O)c2ccccc2Cl)c(=O)c2ccccc12 51289734 QQEDTFRWVDXLNE-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB Cc1ccc(-c2nsc(C(=O)N3CCCCC3)c2N)cc1 62007068 JJIONRQLORZODV-UHFFFAOYSA-N 301.415 3.327 0 40 DGAB Cc1ccc2cccc(NC(=O)CCOCC(F)(F)F)c2n1 66462335 MGVUVNCJANLTBV-UHFFFAOYSA-N 312.291 3.451 0 40 DGAB Cc1ccsc1C(=O)Nc1ccc(N2CCOCC2)c(F)c1 69569316 GICGICPGJZBFAP-UHFFFAOYSA-N 320.389 3.285 0 40 DGAB CCN(Cc1ccccc1)C(=O)C[C@@H](C)NC(=O)C1CCCC1 69740367 WFJDCIFJCAEHHV-OAHLLOKOSA-N 316.445 3.120 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@@H]3Cn3cccn3)oc12 70039833 SUYYOYXCRNMPKM-OAHLLOKOSA-N 309.369 3.243 0 40 DGAB COc1ccc(SCC2CCN(C(=O)C3CC3)CC2)cc1 85472319 WZRQBQFYFQMQNK-UHFFFAOYSA-N 305.443 3.436 0 40 DGAB O=C(/C=C/c1ccco1)Nc1sc2c(c1C(=O)O)CCC2 266484 NTDQBZBUYUVNCW-VOTSOKGWSA-N 303.339 3.180 0 40 DGAB CCn1cccc1/C=C1/NC(=O)N(c2ccc(Cl)cc2)C1=O 8091016 YPPRZCLAVYPOQU-GXDHUFHOSA-N 315.760 3.259 0 40 DGAB Cc1cccc(N2CCN(C(=O)Cc3ccccc3)CC2)c1C 5394564 ASNRMSVNPKHVTE-UHFFFAOYSA-N 308.425 3.195 0 40 DGAB Nc1nc2nonc2nc1Nc1ccc(Oc2ccccc2)cc1 5741138 QJTYEGUSAJWIQG-UHFFFAOYSA-N 320.312 3.131 0 40 DGAB O=C(NCc1cccnc1)c1ncoc1-c1cccc(Cl)c1 12144674 QOOZNGWONIVCBZ-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB CN=[S@](=O)(c1ccccc1)[C@]1(C)CC(C)=C(C)C[S@@]1=O 17142721 MAVIGTCNEJVHOW-YSGRDPCXSA-N 311.472 3.348 0 40 DGAB CCC(=O)N(C[C@H]1CCCO1)c1nc2cc(OC)ccc2s1 11055661 AKDCXIFXVHUTEF-GFCCVEGCSA-N 320.414 3.227 0 40 DGAB CC[C@H](C(=O)N1CC(Cn2cc(Cl)cn2)C1)c1ccccc1 1848817201 ADJNVNGWHDLAET-INIZCTEOSA-N 317.820 3.189 0 40 DGAB C[C@@H](NCc1ccccc1Cl)c1ccc2[nH]c(=O)[nH]c2c1 20559278 CJBDUMXBWVDBJL-SNVBAGLBSA-N 301.777 3.360 0 40 DGAB O=C(O)c1ccc(Nc2nc(-c3ccccn3)cs2)cc1O 613528 HAPOBSHFUATTSK-UHFFFAOYSA-N 313.338 3.353 0 40 DGAB CCOc1ccccc1C(=O)Nc1c(C(N)=O)oc2ccccc12 4851908 JQPRZDXXDIEIEV-UHFFFAOYSA-N 324.336 3.183 0 40 DGAB O=S(=O)(c1ccccc1)N1CCC(c2ccccc2)CC1 8381085 SUTKAMIIADDPLM-UHFFFAOYSA-N 301.411 3.255 0 40 DGAB COc1ccc(-c2nc(C(=O)Nc3ccncc3)cs2)cc1 17585953 SHUCHZOHJLYVFW-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccccc2Cl)C1 108150824 OUVCBMMAGZVMOX-CQSZACIVSA-N 308.853 3.467 0 40 DGAB CC(C)Oc1ccc(CNC(=O)N2CCc3ccccc32)cn1 40145944 RUXHZMPMGVUBLQ-UHFFFAOYSA-N 311.385 3.141 0 40 DGAB CNc1snc(C)c1C(=O)NCC12CC3CC(CC(C3)C1)C2 30810358 ISKFNHDZKYMREK-UHFFFAOYSA-N 319.474 3.439 0 40 DGAB Cc1c(O[C@@H](C)C(=O)O)ccc2c3c(c(=O)oc12)CCCCC3 107614 ZEPUTSVZUGFVPT-NSHDSACASA-N 316.353 3.222 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)/C=C/c1ccc(Cl)cc1 31541609 IPMHKXGMKLVAGR-VSGCLNPGSA-N 315.804 3.281 0 40 DGAB CN1[C@@H](c2nnnn2-c2ccccc2)c2ccccc2CC1(C)C 20462071 BVAREBUAIHEREW-QGZVFWFLSA-N 319.412 3.018 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1cccs1 380499 ZKMVRPYZXUUZRP-UHFFFAOYSA-N 322.817 3.490 0 40 DGAB C[C@@H]1c2cccn2CCN1C(=O)Cc1c(F)cccc1Cl 29379073 WIXIBUZQCHTTSK-LLVKDONJSA-N 306.768 3.427 0 40 DGAB O=C1Nc2ccccc2[C@H]1[C@H]1NCCc2c1[nH]c1ccccc21 20759448 YGURMDITZSVQME-FUHWJXTLSA-N 303.365 3.091 0 40 DGAB biogenic O=C(OCc1nc2ccccc2s1)c1ccc2c(c1)OCO2 3466561 NSPIYLQZAQZNIF-UHFFFAOYSA-N 313.334 3.382 0 40 DGAB c1nc(NCc2ccc(N3CCCC3)nc2)c2ccsc2n1 32779263 YXFYNKQYTMHXSX-UHFFFAOYSA-N 311.414 3.299 0 40 DGAB COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCC2 7053025 FBRDAAQIOSDSTP-UHFFFAOYSA-N 317.410 3.375 0 40 DGAB CCc1nnc(S/C(=C\c2ccc(OC)cc2C)C(=O)O)o1 7508466 AHLNTUOBIVGHEY-WQLSENKSSA-N 320.370 3.167 0 40 DGAB CSc1ccc(CSc2nnc(C(F)(F)F)n2N)cc1 8132120 GGSHBBXJOARDNF-UHFFFAOYSA-N 320.365 3.025 0 40 DGAB CCc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3)n2)cc1 12062842 BIFOWEMAFDHYFE-UHFFFAOYSA-N 319.364 3.047 0 40 DGAB CC(C)c1noc(CCC(=O)N2CCc3sccc3[C@H]2C)n1 33163620 HLIOQUULRVCGDQ-LLVKDONJSA-N 319.430 3.333 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(Br)c[nH]2)cc1 23603772 RXDHPYAZBKRKNG-UHFFFAOYSA-N 323.190 3.058 0 40 DGAB COc1ccccc1[C@H](Cc1nnc(S)o1)c1ccco1 12321306 LTHSHQAOVNJTTD-NSHDSACASA-N 302.355 3.335 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN(C(=O)c2cccs2)C1 24772785 WCAXMLLZCYJHRA-ZDUSSCGKSA-N 314.410 3.239 0 40 DGAB CCc1noc([C@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 76046830 CURGWYRAWMYFFO-WCQYABFASA-N 317.437 3.312 0 40 DGAB CCn1cc(Nc2nc(C(C)C)nc3c(C)nn(CC)c23)cn1 57356037 BMAYYDGFYOWOMJ-UHFFFAOYSA-N 313.409 3.238 0 40 DGAB COc1ccc(Br)cc1C(=O)Nn1c(C)ccc1C 59549629 DERJGNWOXCYDGR-UHFFFAOYSA-N 323.190 3.260 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2nnc(S)n2C(C)C)C1(C)C 108899147 YMBBIVKFSHKNDP-AAEUAGOBSA-N 322.478 3.002 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1(C)C 27988921 UOEXTZQCXMFLIJ-BXUZGUMPSA-N 319.474 3.308 0 40 DGAB CCn1nc(C)c2c(C(=O)N3C[C@@H](C)C[C@@H](C)C3)cc(C)nc21 28222221 OOLHNIPNYHCDLG-TXEJJXNPSA-N 314.433 3.186 0 40 DGAB C[C@@H]1C(=O)N(Cc2ccccc2F)C(=O)N1c1ccc(F)cc1 45360959 DHDYSKCMGACACS-LLVKDONJSA-N 316.307 3.322 0 40 DGAB CC[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 10919072 AHPHSVGWVDSTAE-OAHLLOKOSA-N 316.788 3.320 0 40 DGAB c1csc(-c2nnc(COc3ncnc4sccc34)o2)c1 3344252 ATLYCLLRDGGTSS-UHFFFAOYSA-N 316.367 3.382 0 40 DGAB CSc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1 3428491 SJNYCSMYBJBVMW-DHZHZOJOSA-N 324.405 3.407 0 40 DGAB CCC(CC)NC(=O)NC1CCN(Cc2ccccc2)CC1 12921553 ZFPGXJMAYIAOPF-UHFFFAOYSA-N 303.450 3.139 0 40 DGAB Cc1cccc(-c2[nH]ncc2CN[C@@H](C)Cn2cc(C)cn2)c1 69490050 CWXVUDGUJUZMMZ-HNNXBMFYSA-N 309.417 3.068 0 40 DGAB CCc1nc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)sc1C 69493782 YNACBPCHRRXXSM-LSDHHAIUSA-N 314.454 3.476 0 40 DGAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CCc1ccco1 69558878 JWDJUNKHSJJTJA-UHFFFAOYSA-N 313.332 3.391 0 40 DGAB COC[C@H](C)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 69899092 LQFISXQJZMPFJF-ZETCQYMHSA-N 307.177 3.158 0 40 DGAB CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)n[nH]c1=S 69601737 JXJGBIAGOAXTSO-UHFFFAOYSA-N 312.439 3.075 0 40 DGAB CCN(CC)CCNc1ncnc2c1[nH]c1ccc(F)cc12 5024364 XJAJAZUTRURBAG-UHFFFAOYSA-N 301.369 3.004 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 69893882 OVCDJAXNPCIUEO-MSOLQXFVSA-N 311.429 3.257 0 40 DGAB C[C@H](NC(=O)Nc1ccncc1)c1nc(-c2ccccc2)c[nH]1 65540200 QLSQZUKALCOTRK-LBPRGKRZSA-N 307.357 3.354 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2cc(Cl)ccc2Cl)n1 65552684 DZWWKNFYLRZCNI-LURJTMIESA-N 300.145 3.176 0 40 DGAB CCN1C(=O)c2cccc3c(Br)ccc(c23)C1=O 4746958 WNFHOJUNEAHMPD-UHFFFAOYSA-N 304.143 3.218 0 40 DGAB in-vitro Cc1nc2ccccc2n1CC(=O)Nc1ccc(F)c(F)c1 5627893 JSMKECNVLGBJAR-UHFFFAOYSA-N 301.296 3.262 0 40 DGAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 66697125 RWXDSBRHJMJTOR-CQSZACIVSA-N 323.396 3.171 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)c1 71185777 MRAIFQHOUVTUER-WMZOPIPTSA-N 309.413 3.085 0 40 DGAB C[C@@H](C(=O)N1CCc2ccccc21)N(C)Cc1ccc(F)cc1 7267443 BARPXHYCWYULAD-AWEZNQCLSA-N 312.388 3.235 0 40 DGAB Cc1csc(-c2c(N)nn3c(-c4ccccc4)ccnc23)n1 68755735 ISNDDOHFGTWSLW-UHFFFAOYSA-N 307.382 3.410 0 40 DGAB CCn1cc([C@H]2OCC[C@H]2CNCc2cccc3[nH]ccc23)cn1 78880572 WJUVALKYSXEMCN-KXBFYZLASA-N 324.428 3.252 0 40 DGAB O=C(O)CCCN1CCO[C@@H](c2ccc(Cl)c(Cl)c2)C1 71777075 VDYYGCIOYOMVKF-CYBMUJFWSA-N 318.200 3.232 0 40 DGAB Cc1cccc(-c2nc(CN3CCC[C@@H]3c3cnn(C)c3)no2)c1 71799297 ZMGUKCUZTZVLIW-MRXNPFEDSA-N 323.400 3.116 0 40 DGAB Cc1ccc(CCNC(=O)N2C[C@@H](C)[C@H]2c2ccccc2)cn1 96440078 RCVLFXSJAAANCX-KDOFPFPSSA-N 309.413 3.335 0 40 DGAB Cc1cc(C)n(CC(=O)Nc2cccc(Oc3ccncc3)c2)n1 71899787 ZDFIDBWDYRAYOV-UHFFFAOYSA-N 322.368 3.326 0 40 DGAB CCOc1cc(Cl)ccc1C(=O)N(C)c1ncccc1OC 97049452 NUKYYMDWNCLHSJ-UHFFFAOYSA-N 320.776 3.419 0 40 DGAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1cccc(-n2cccc2)c1 71921170 HALVJZRONBBAGB-ZIAGYGMSSA-N 301.390 3.006 0 40 DGAB COc1ccc(NC/C=C/c2ccco2)cc1N1CCOC1=O 97022659 QANOMXZQCJUCJT-DUXPYHPUSA-N 314.341 3.370 0 40 DGAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 72271538 KARVDXAMHARHRM-CQSZACIVSA-N 309.287 3.169 0 40 DGAB Cc1ccc(SC2(C(=O)NCc3ncc[nH]3)CCCC2)cc1 79025595 GWRIDGJBNBEAND-UHFFFAOYSA-N 315.442 3.439 0 40 DGAB CSc1cncc(NCc2cccc(Cn3ccnc3)c2)n1 97162927 VNMVONLTXBAYGZ-UHFFFAOYSA-N 311.414 3.055 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 95401667 SBSWNPRWBJQDLY-LLVKDONJSA-N 313.357 3.033 0 40 DGAB C[C@H](NCc1nnc2n1CCC2)c1ccc(SC(F)F)cc1 95419883 YAVGKDVKCSYGMR-JTQLQIEISA-N 324.400 3.390 0 40 DGAB Cc1cc(CC(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)n[nH]1 95427293 LELUHHCJKQQSNX-QFBILLFUSA-N 309.413 3.189 0 40 DGAB O=C(Cc1cccnc1)Nc1cc(F)ccc1Br 95411504 DNQUBKGBMWPTKS-UHFFFAOYSA-N 309.138 3.164 0 40 DGAB CCc1ncc(CN(C)C(=O)c2ccccc2C(C)=O)s1 73498630 FPWNYWGVVLLBLO-UHFFFAOYSA-N 302.399 3.180 0 40 DGAB CCc1noc(CC)c1Cc1nc(-c2cccc(OC)c2)no1 88337513 GQEWTCFTHDYQGC-UHFFFAOYSA-N 313.357 3.449 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)C[C@@H]1CCOC1 95962633 SCKRQPYYUVIHJL-NSHDSACASA-N 317.307 3.017 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)C[C@@H](C)OC 95995433 BARYZQKPQDJFBS-SECBINFHSA-N 315.211 3.244 0 40 DGAB FC(F)(F)c1ccnc(NCc2ccc(N3CCCC3)nc2)n1 74271483 ZLUQBTRQSRESAY-UHFFFAOYSA-N 323.322 3.103 0 40 DGAB Cc1nn(C)c(C)c1OCC(=O)c1cc(C)n(C2CC2)c1C 89575601 UFXVJOGEGIIXFP-UHFFFAOYSA-N 301.390 3.052 0 40 DGAB O=C(NCc1ccc(O)cc1)c1cccn1Cc1cccs1 89794123 RMMCDVHOHNFVHG-UHFFFAOYSA-N 312.394 3.234 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@H](c2cn[nH]c2)C1 89774913 AOPZUQCLPTYQNB-IAOVAPTHSA-N 313.376 3.059 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@H](C2CC2)C1 89885407 IFOQSOYQOUHUSC-STQMWFEESA-N 303.431 3.023 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)COc2cc(C)cc(C)c2)c1C 21169041 CBLHXTJLAFUYEO-UHFFFAOYSA-N 315.369 3.297 0 40 DGAB CCOc1ccc(C(=O)O)cc1COc1cccc(OC)c1 24549250 HVGOTHAMTRCVFL-UHFFFAOYSA-N 302.326 3.371 0 40 DGAB CC(C)(C)c1nnc2n1N1C(=CS[C@H]1c1cccnc1)S2 36080048 GOSTVIUAIKTTGQ-NSHDSACASA-N 317.443 3.259 0 40 DGAB CCN1CCc2ccc(NC(=O)N(C)[C@@H](C)CSC)cc21 77443336 PWIMKXYKWIRUGR-LBPRGKRZSA-N 307.463 3.284 0 40 DGAB COc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 36635409 MYJHRQIHOKCBMP-INIZCTEOSA-N 324.380 3.056 0 40 DGAB CC(C)NC[C@H](O)COc1ccccc1[C@H]1C[C@@H]2CC[C@H]1C2 71325806 NACJSVRGPPMZRS-CVYDXHPNSA-N 303.446 3.328 0 40 DGAB in-man COC(=O)C[C@@H](C(=O)OC)C1c2ccccc2-c2ccccc21 85388776 BGAJRPLNIWWCRP-MRXNPFEDSA-N 310.349 3.151 0 40 DGAB CCCCOc1ccc(-c2csc(CC(=O)NC)n2)cc1 225456530 TTZCGIHVOXHAJK-UHFFFAOYSA-N 304.415 3.278 0 40 DGAB C[C@H](CCN1CCN(CC2CCOCC2)CC1)c1ccccc1 193949713 GWRCNGBDJGWAEQ-GOSISDBHSA-N 316.489 3.224 0 40 DGAB CC(C)[C@@H](NC(=O)CC[S@](C)=O)c1ccc(Cl)cc1F 195557821 ODWVQSPKUVEVBB-VLIAUNLRSA-N 319.829 3.061 0 40 DGAB CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2cccs2)no1 193934261 GTSGXHBUOTXYGA-QMMMGPOBSA-N 319.308 3.174 0 40 DGAB CCOCCCNC(=O)[C@@H](C)Oc1cc(C)ccc1C(C)C 42124288 HSPHPNXGVOSNRJ-OAHLLOKOSA-N 307.434 3.429 0 40 DGAB Cc1ccc(CS(=O)(=O)NC[C@@H](C)c2ccccc2)cc1 224170345 HNRXALBVUCXCBO-OAHLLOKOSA-N 303.427 3.218 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1cccc(C)c1 223891339 MPTOUODHQYNJRA-CQSZACIVSA-N 319.426 3.184 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC(OC[C@@H]2CCOC2)CC1 195575953 PMRZOBMWZYNEMI-YQVWRLOYSA-N 307.478 3.496 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)[C@H](N)c1ccccc1 95412760 PBONQIXZHVMNAD-QGTPRVQTSA-N 309.413 3.081 0 40 DGAB C[S@@](=O)C[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 96445537 KVMZFWDVBRSLQE-IERDGZPVSA-N 307.459 3.193 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cn1ccnc1)[C@H]1C[C@H]2CC[C@H]1C2 248253688 NKANWDGDUPTOFE-IUVQAAGXSA-N 323.440 3.486 0 40 DGAB CC(C)C[C@H](NC(=O)[C@H]1CO[C@H](C)C1)c1nc2ccccc2[nH]1 252553295 VJIOLNXBWILUGP-IOASZLSFSA-N 315.417 3.191 0 40 DGAB CO[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1C 96104934 RQMKVRSMPIOTOD-QGZVFWFLSA-N 301.361 3.181 0 40 DGAB O=C(CCSc1ccccc1)NC[C@H](O)C1CCCCC1 70636659 VOLNTWQERWSLFX-INIZCTEOSA-N 307.459 3.226 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 75387519 PDLATOHQVOOIDP-TZMCWYRMSA-N 301.390 3.418 0 40 DGAB O=S(=O)(Nc1cccnc1Cl)c1ccc(F)c(Cl)c1 167000 FGSPUPIUPZGXNP-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB COc1ccc(SCC(=O)Nc2ccccc2OC)cc1 5661660 OSLHRJNBHDCPBS-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1ncoc1-c1ccc(F)cc1 12145522 SERAJJRVMMUEDD-UHFFFAOYSA-N 314.320 3.083 0 40 DGAB COc1ccccc1NC(=O)CN(C)Cc1ccc(Cl)cc1 13040078 RKPVSGCYSWCZFO-UHFFFAOYSA-N 318.804 3.419 0 40 DGAB CCn1c(=O)n(Cc2cc(-c3ccco3)on2)c2ccccc21 14145797 ZNRUKNMPVGEEHR-UHFFFAOYSA-N 309.325 3.119 0 40 DGAB CCn1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)n1 14248925 CJMFWRSSSZPENF-UHFFFAOYSA-N 320.201 3.011 0 40 DGAB CCOCCCNC(=S)Nc1ccc(Br)cc1 16211844 WAZGPGIQXCYJAJ-UHFFFAOYSA-N 317.252 3.162 0 40 DGAB CCn1cc(C(=O)OCc2ccc(C(N)=O)cc2)c2ccccc21 16551081 RCQGUCQPVGLRGT-UHFFFAOYSA-N 322.364 3.117 0 40 DGAB CN(C)C(=S)/N=c1\ssc(=S)n1-c1ccccc1 17919056 DIAZUBDZEAMEMY-BENRWUELSA-N 313.498 3.077 0 40 DGAB O=C(Nc1ccc2c(c1)CN(C(=O)C1CC1)CC2)C1CCCC1 9037749 BZYFNVXLNMVENX-UHFFFAOYSA-N 312.413 3.110 0 40 DGAB CC(C)Sc1ccc(CC(=O)N2C[C@H]3C[C@H]2CS3)cc1 575607465 NJHANVVMKXRSTG-DZGCQCFKSA-N 307.484 3.446 0 40 DGAB O=C(c1ccoc1)N1CCC(Nc2nc3ccccc3o2)CC1 24207237 AITXQUOVMDLDPX-UHFFFAOYSA-N 311.341 3.138 0 40 DGAB O=C(CSc1nccn1-c1ccccc1)NCc1ccccc1 427352 JFTGVVPJDRCXGC-UHFFFAOYSA-N 323.421 3.281 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc3c(ccn3C)c2)cc1 40288056 MKHRVNFUKCHSRV-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB C[C@H](Sc1ncccn1)C(=O)N1c2ccccc2CC[C@H]1C 40489546 PKJPCKKPJHQALK-OLZOCXBDSA-N 313.426 3.325 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(F)c(F)c2F)cc1 40525730 LNCRONADRJUELT-CYBMUJFWSA-N 324.302 3.267 0 40 DGAB CCc1cc(C(=O)Cc2ccc3c(c2)OCO3)c(O)cc1OC 138888 DWPRZCXHMUDAIE-UHFFFAOYSA-N 314.337 3.117 0 40 DGAB biogenic Cc1ccc(Cl)cc1NC(=O)CCC(=O)NCc1ccco1 421168 GPKJZKFTQZAYOF-UHFFFAOYSA-N 320.776 3.277 0 40 DGAB Cc1ccc(C(=O)NCC(=O)OCc2ccccc2Cl)cc1 3282011 PKYZPYHUOOPTSZ-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB COc1ccccc1OCC(=O)NCCc1ccc(Cl)cc1 3383388 UAANHRNTBATTKQ-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB Cc1ccc(CC(=O)NCCCN(C)c2ccccc2)cc1C 32721279 GDPJNQUHWSOVOI-UHFFFAOYSA-N 310.441 3.489 0 40 DGAB CCCNC(=O)[C@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 32769984 AYBAMBLDUNAVOS-AWEZNQCLSA-N 311.429 3.172 0 40 DGAB COc1cc(S(=O)(=O)Nc2cccc(C)c2C)ccc1F 7360576 AMUDRLAJZYLWPC-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1C(=O)NC1CC1 102417579 RTPOOPLWCICDPB-MELADBBJSA-N 312.413 3.344 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2Cl)CC1 108981079 BTUWOUOAUOCRLY-KKUMJFAQSA-N 318.848 3.425 0 40 DGAB O=C(NC1CCCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 32922774 XLGJMMYZURVLCY-MRXNPFEDSA-N 304.365 3.158 0 40 DGAB Cc1cc(C)n(C2CN([C@H](C)c3nnc(-c4ccccc4)o3)C2)n1 69567562 XFCOHTOLQYCEQQ-CQSZACIVSA-N 323.400 3.168 0 40 DGAB CCc1ccccc1N1CC(=O)N(c2ccccc2CC)CC1=O 8088101 OASKEYZDPPSFKZ-UHFFFAOYSA-N 322.408 3.191 0 40 DGAB Cc1csc(C2=C(O)CN(CCc3ccccc3F)C2=N)n1 102727919 ZXJDSUUOFANSCB-UHFFFAOYSA-N 317.389 3.395 0 40 DGAB COc1cc(NC(=O)c2ccc(Cl)o2)cc(OC)c1OC 9386925 KHPIDLOXWQBDEC-UHFFFAOYSA-N 311.721 3.211 0 40 DGAB COC(=O)c1sccc1NC(=S)N1C[C@@H](C)C[C@H](C)C1 8580206 BWWWGDFIGWAUCM-UWVGGRQHSA-N 312.460 3.209 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)Cc1noc2ccccc12 69773230 OZCFZXDDAJOTLO-GJZGRUSLSA-N 322.364 3.051 0 40 DGAB COc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)c(OC)c1 917320 IGWINXLCQSWFCJ-UHFFFAOYSA-N 321.402 3.105 0 40 DGAB O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)[C@@H]2C1 107798577 NCQOZIOIVVPREH-FUHWJXTLSA-N 307.397 3.035 0 40 DGAB CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccc(C)cc1 8602292 OWHLVGWUIZEPTI-UHFFFAOYSA-N 306.365 3.390 0 40 DGAB CCCc1nnc(NC(=O)N[C@@H]2CCOc3ccccc32)s1 43555753 GMQHTYYBLWOTBF-LLVKDONJSA-N 318.402 3.136 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2ccc(N(C)C)cn2)cc1 58015982 MHLWYGKDJFDVIU-KPKJPENVSA-N 311.385 3.198 0 40 DGAB CCN(Cc1cccs1)C(=O)NCc1ccccc1OC 44890955 ZTPMOSASZFAWII-UHFFFAOYSA-N 304.415 3.488 0 40 DGAB CCCCC(=O)Nc1cccc(NS(=O)(=O)CCC)c1C 58231534 JZRSCRDTDMSCFC-UHFFFAOYSA-N 312.435 3.275 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@@H](c1ccccc1)c1ccco1)CN2 58331366 PNFSYFXDZPHHJL-BEFAXECRSA-N 322.412 3.205 0 40 DGAB Cc1ccccc1-n1nc(C(=O)NCCC(C)C)c2c1CCC2 58407675 YXTOPNOYUALBIA-UHFFFAOYSA-N 311.429 3.445 0 40 DGAB CC(C)n1ncc2c(C(=O)Nc3ccncc3)c3c(nc21)CCC3 36366493 MHYHEJWIJCAAPK-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB COc1ccc(CC[C@H](C)NC(=O)Nc2cc(C)on2)cc1 62429772 XVFFWMNETKNQOF-NSHDSACASA-N 303.362 3.134 0 40 DGAB CCOc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 20111723 IMXJAWDNMRVCEW-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB Cn1nncc1CN1CCC(Sc2ccc(Cl)cc2)CC1 93814489 OHSYEEDDXXSBHX-UHFFFAOYSA-N 322.865 3.225 0 40 DGAB O=S(=O)(NC1CCCCCC1)c1ccc(F)c(Cl)c1 5120627 BBIAFTTWIVWPJV-UHFFFAOYSA-N 305.802 3.480 0 40 DGAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccc(C)cc1 5197914 FIGSMPCPLVALJB-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385139 KFRMUOYLOCNZEL-LBPRGKRZSA-N 320.820 3.142 0 40 DGAB Cc1nc(C)c(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)s1 6367170 NQDVPCKFGOUKBD-UHFFFAOYSA-N 318.398 3.172 0 40 DGAB Cc1ccccc1C1(C(=O)Nc2ccn(-c3ccncc3)n2)CC1 71027913 POSPTPBBNYPXBE-UHFFFAOYSA-N 318.380 3.246 0 40 DGAB COc1ccc(CC[C@@H](C)NC(=O)Nc2cc(C)on2)cc1 65552426 XVFFWMNETKNQOF-LLVKDONJSA-N 303.362 3.134 0 40 DGAB COc1ccccc1N1CC[C@H](CNc2cncc(Cl)n2)C1 65575503 SOQDCRJQCMWRHJ-GFCCVEGCSA-N 318.808 3.077 0 40 DGAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(N)=S)cc1 4783680 KDDOGHMAISXZPS-INIZCTEOSA-N 311.410 3.090 0 40 DGAB Cc1ccc(Oc2ccccc2NC(=O)N2CC[C@H](O)C2)cc1 96433783 QONAUAHXFUGKLK-AWEZNQCLSA-N 312.369 3.386 0 40 DGAB COc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)c(OC)c1 24587572 MKRMLBOKFMAALX-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB O[C@H](CSc1ncc(Br)cn1)c1ccccc1 67368470 FEQAQWYQZZVCBA-LLVKDONJSA-N 311.204 3.065 0 40 DGAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccccn1 7338474 NMNIRQMMJYWXRR-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB COc1ccc(NC(=S)N2CCn3c2nc2ccccc23)cc1 7353235 KCGFNBBPVSRIEF-UHFFFAOYSA-N 324.409 3.262 0 40 DGAB Cc1ccc(C(=O)CSc2nnc3n2CCCCC3)s1 7313615 RWYBGGUWUVSBMR-UHFFFAOYSA-N 307.444 3.349 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N(C)Cc2sccc2C)cc1 7642297 FDHZOVPUZLIHJL-UHFFFAOYSA-N 316.426 3.216 0 40 DGAB COc1cccc(CN(C)C(=S)NCCc2ccccc2)c1 16311909 NWKOBEJVQVKOHF-UHFFFAOYSA-N 314.454 3.244 0 40 DGAB O=C(Nc1ccccc1F)N1CCC(OC[C@@H]2CCCO2)CC1 81521400 GSYRQGHBVOQXHF-AWEZNQCLSA-N 322.380 3.018 0 40 DGAB CCCCNC(=S)NCc1c(C)nn(-c2ccccc2)c1C 8150422 AHAXTHWIOFIVCN-UHFFFAOYSA-N 316.474 3.253 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1cccc(C(C)=O)c1 8156676 NDOUHMMIKNKKST-UHFFFAOYSA-N 321.380 3.440 0 40 DGAB c1ccc(COc2cccc(CNCCN3CCCC3)c2)cc1 60844459 OHJSJHMCGQLPEK-UHFFFAOYSA-N 310.441 3.451 0 40 DGAB COc1cc(C)cc2c1OCC[C@H]2NC(=O)CCC(F)(F)F 79900914 NOGBZCYXHGKSFC-LLVKDONJSA-N 317.307 3.286 0 40 DGAB CCOc1cccc2cc([C@@H](C)NCc3noc(C)n3)oc12 97111368 LNOSSPWRMNOHNM-SNVBAGLBSA-N 301.346 3.374 0 40 DGAB Cc1ccc([C@H]2CCCN2C(=O)c2cc(C(=O)O)co2)s1 97115266 GRSNIPFJZIDVGV-LLVKDONJSA-N 305.355 3.325 0 40 DGAB CC[C@](C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1 72865237 FXRSIYXVMLZFIC-INIZCTEOSA-N 303.431 3.305 0 40 DGAB C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc([S@](C)=O)cc2)C1 84686156 HXETXHVJFJPMOE-JPEVHGAISA-N 323.502 3.091 0 40 DGAB COC(=O)C[C@@H](c1c(O)n[nH]c1C)c1cccc2ccccc12 95474331 LFOYPKZQTGJKCY-OAHLLOKOSA-N 310.353 3.272 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)n1 95437459 ABOHJARQVOXPNU-MRXNPFEDSA-N 311.385 3.241 0 40 DGAB CC[C@@H]1c2cccn2CCN1C(=O)Cc1ccc(OC)c(F)c1 95428333 PWOZHOUXHBSHEJ-OAHLLOKOSA-N 316.376 3.172 0 40 DGAB O=C(COc1cccc(C(F)(F)F)n1)Nc1cccc(F)c1 95417233 AZOOFGWOULEMMD-UHFFFAOYSA-N 314.238 3.257 0 40 DGAB CCc1ncsc1NC(=O)N[C@@H](C)[C@@H]1COc2ccccc21 89282676 ATPGMIGLBOBTHQ-JQWIXIFHSA-N 317.414 3.392 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2cnc(C)s2)C1 89274918 YOAOEYRZLJXUQO-NWDGAFQWSA-N 313.492 3.267 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)Nc1ccccc1S(C)(=O)=O 89895036 UITSKOJSXIANDX-XJKSGUPXSA-N 319.426 3.014 0 40 DGAB CCCNC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 22836740 NXSSGJRLIVTSKO-UHFFFAOYSA-N 313.332 3.477 0 40 DGAB CCOc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)cc1 60141388 XZEJIKWHSLIRBV-UHFFFAOYSA-N 322.405 3.327 0 40 DGAB CCOC(=O)[C@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 72046841 JBDQAQGHIOAXPI-NSHDSACASA-N 317.414 3.188 0 40 DGAB C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cnnc2ccccc12 529062832 CKVKEKBWDHDGHX-ZWNOBZJWSA-N 323.318 3.433 0 40 DGAB O=C(COc1ccccc1)NC[C@H](O)c1cccc2ccccc12 70635951 MIHMDSKJMMCLQQ-IBGZPJMESA-N 321.376 3.068 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)NC1CCCCC1 38592147 QMPCOPPGMMVPCJ-UHFFFAOYSA-N 316.445 3.367 0 40 DGAB CC(C)c1ccc(OCC(=O)NC[C@H](O)c2cccs2)cc1 75155985 OUYGETNHKYEVBE-HNNXBMFYSA-N 319.426 3.100 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2)n1 41123300 NNLQIIMMOSIFAU-PMPSAXMXSA-N 311.385 3.235 0 40 DGAB Fc1ccc(NC(=S)NCCCN2CCCCC2)cc1F 225410356 YYELWYLNXXUMDK-UHFFFAOYSA-N 313.417 3.127 0 40 DGAB Cc1cccc([C@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C2)c1 1579756895 NLUNYPMVWUNNBA-RBUKOAKNSA-N 308.425 3.053 0 40 DGAB COc1ccc(CC(=O)NCCOc2cccc(C)c2)cc1C 225123022 XOLSXKPUFSSVNR-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB COCc1noc(CSc2nc(-c3ccccc3)co2)n1 195109838 WBJMRURRZNNZGZ-UHFFFAOYSA-N 303.343 3.163 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccccc3Br)=NN[C@@H]2C1 228926669 CAAMJDRIIAZLLW-YPMHNXCESA-N 321.218 3.130 0 40 DGAB CCO[C@@H]1C[C@@H](Nc2cccc(-c3ncn(C)n3)c2)C12CCC2 194991012 KKFFOOAHRASTIN-HZPDHXFCSA-N 312.417 3.242 0 40 DGAB CCCOC(C)(C)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225837518 KGZVIXMQSCDZDG-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB CC[C@@H](C)[C@@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 194098391 CVZPANZSTPJWRV-CHWSQXEVSA-N 318.417 3.190 0 40 DGAB Cc1cc(CO)oc1C(=O)Nc1ccc(Nc2ccccc2)nc1 330032861 SLEAWHKBJMDDGD-UHFFFAOYSA-N 323.352 3.471 0 40 DGAB CC(C)[C@@H]1C[C@@H](Cc2nc(-c3ccc(O)cc3)no2)CCO1 331245254 TVNQUFFNRYSYEO-WFASDCNBSA-N 302.374 3.436 0 40 DGAB CC(C)n1c(C(=O)N2CCCO2)cc2c1c1ccccc1n2C 96037274 IQOQNWFROSLMDS-UHFFFAOYSA-N 311.385 3.491 0 40 DGAB C[C@@H](NC(=O)N(C)C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583651042 DUJAXABVOZBHGI-ZCFIWIBFSA-N 301.177 3.202 0 40 DGAB Cc1ccc(Cl)c2ccc(NC[C@]3(CCO)CCOC3)nc12 96496716 RMFFFCTUWZMLMJ-KRWDZBQOSA-N 320.820 3.398 0 40 DGAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccc(F)c1 96098549 VEDSGENEFYJSOT-UHFFFAOYSA-N 314.364 3.085 0 40 DGAB CC[C@@H](COC)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 96415967 AHACVXVWRGZSLE-ZDUSSCGKSA-N 303.362 3.197 0 40 DGAB CC(C)N1CCOC[C@]2(CCCN(Cc3cccc(F)c3)C2)C1 96228732 UYXGDFDULSEZRR-IBGZPJMESA-N 320.452 3.149 0 40 DGAB CCc1nc2nccc(-c3ccc(Br)s3)n2n1 96345227 MJMBCHOVGDAWCO-UHFFFAOYSA-N 309.192 3.178 0 40 DGAB CS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 96416554 DXFYJLWMNHAJBJ-UKRRQHHQSA-N 324.421 3.188 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)c2csc(COC)n2)C1 96451540 CMTLPTYTKROLNI-MNOVXSKESA-N 314.476 3.084 0 40 DGAB Cc1cc(-c2cccc(CO[C@@H]3CCOC3)c2)oc1C(=O)O 583883044 DDUWNIWSIWABGR-CQSZACIVSA-N 302.326 3.259 0 40 DGAB Cc1cc(NC(=O)Nc2cccc([S@](C)=O)c2)ccc1O 97104804 WWACKHBFJVXWFL-OAQYLSRUSA-N 304.371 3.082 0 40 DGAB COc1cc(CN2CC[C@@H](c3nc(C)cc(C)n3)C2)ccc1F 257213278 CGWANIXBKDOJHL-OAHLLOKOSA-N 315.392 3.231 0 40 DGAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cnsn1 585094441 DNVGRGXYDRZNHX-MRVPVSSYSA-N 307.810 3.261 0 40 DGAB CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCCC[C@H]3N[C@H]2Cc1ccccc1 257238936 HNELXXRIXTULLA-UHZRXMQZSA-N 312.457 3.139 0 40 DGAB O=C(c1c[nH]cn1)N1CCC[C@H](Cc2ccc3ncccc3c2)C1 257284680 PDUFYCXAEZHKON-OAHLLOKOSA-N 320.396 3.053 0 40 DGAB CC(C)CCC(=O)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 575404104 LNZGILRWEYUBFH-KRWDZBQOSA-N 323.477 3.389 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 585103100 QADOZAAYJWTXTG-QGZVFWFLSA-N 319.445 3.103 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N(CC(C)C)CC(C)C 586135946 LRKNTRQFXSENCG-UHFFFAOYSA-N 313.463 3.306 0 40 DGAB C[C@H](Cn1cccn1)NCc1ccc(OCc2cccnc2)cc1 69442468 CAGVTGGYMRVBMN-MRXNPFEDSA-N 322.412 3.035 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCCC[C@@H]1c1nc(C)cs1 72273921 KHLMNMFHHKYVRY-CYBMUJFWSA-N 318.446 3.344 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n1 72235776 SSWAJQOFWDPAJI-IEBWSBKVSA-N 323.440 3.393 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@H]2CCc2ccccc2)o1 97231509 CGTWMJVLPXFUFW-AWEZNQCLSA-N 313.353 3.215 0 40 DGAB O=C(NCc1ccc(OC(F)F)cc1)c1n[nH]c2ccccc12 12540553 LQYJQMBPBCXAQC-UHFFFAOYSA-N 317.295 3.094 0 40 DGAB Cc1csc2nc(COc3ccccc3Cl)cc(=O)n12 13367472 AIUZYVJQOGHXCB-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB CC(=O)Oc1c(C)s/c(=N\c2ccc(Cl)cc2)n1C(C)=O 5375708 FUKJNCIRKSNSKJ-PEZBUJJGSA-N 324.789 3.329 0 40 DGAB COc1ccc(Br)c(C(=O)N2[C@H]3C=CC[C@H]2CC3)c1 208016827 FYYFKTDWABMENF-QWRGUYRKSA-N 322.202 3.391 0 40 DGAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 226301769 WANYFWKVFBBMSE-STQMWFEESA-N 314.385 3.087 0 40 DGAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)C)ccc21 10972310 BBZGCABFFAHBQH-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H]1C[C@@H]2CC[C@@H]1C2 100159049 GHTFUCHQHVWZKA-MCIONIFRSA-N 310.397 3.211 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)c(OC)c1 40526290 DODBMGHLKGYQLS-LLVKDONJSA-N 304.346 3.488 0 40 DGAB Cc1ccc(NC(=S)NC[C@@H]2COc3ccccc3O2)cc1 169031 JTRFIURWUIFMCC-CQSZACIVSA-N 314.410 3.121 0 40 DGAB CC(C)Oc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1 60322600 XMPZZTPKDVDXLA-UHFFFAOYSA-N 322.368 3.010 0 40 DGAB CCOc1ccc(NC(=O)Cc2ccc(OC)c(OC)c2)cc1 3483055 NEFSTQHAGUNSBK-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB O=C(c1cc(Br)ccc1O)N1CCc2ccccc21 21278058 AMVCJCOLAIXHHN-UHFFFAOYSA-N 318.170 3.358 0 40 DGAB C[C@@H]1[C@@H]2C[C@H](C3(C)OCCO3)CC[C@]2(C)CCC12OCCO2 4984537 CJQUVXLNJSJHHG-LVQVYYBASA-N 310.434 3.345 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2C)cc1 8497649 OWXJOKQQGURERO-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)N1CCCCCC1 102596101 HUDUFLMCJZOISQ-LUYZLQTOSA-N 305.418 3.082 0 40 DGAB COc1c2c(cc3c1[C@H](Nc1ccccc1)N(C)CC3)OCO2 12296749 NNFDBERKOGOXLM-GOSISDBHSA-N 312.369 3.023 0 40 DGAB biogenic CC(=O)N[C@@H](C(=O)Nc1ccc(F)cc1Cl)C1CCCC1 53464078 CNSWEWMLOMPIOQ-CQSZACIVSA-N 312.772 3.113 0 40 DGAB Ic1ccc(OCc2cccnc2)cc1 42238426 HGAIPYBAKIPQNV-UHFFFAOYSA-N 311.122 3.265 0 40 DGAB in-vitro CCc1cccc(C)c1NC(=O)NCCCn1ccnc1C 47324485 MDWZWLZHKVXDBE-UHFFFAOYSA-N 300.406 3.274 0 40 DGAB CCC(C)(C)NC(=O)[C@H](C)NC1(c2nc(C)cs2)CCC1 75581890 SXHCJRRHUJMNNX-LBPRGKRZSA-N 309.479 3.114 0 40 DGAB Cc1c(C)n(C[C@H](O)Cn2ccnc2)c2c(Cl)cccc12 12421913 PRZDNUWIZSXTSM-CYBMUJFWSA-N 303.793 3.169 0 40 DGAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 105630570 PARBGLYBMAKODG-OBJOEFQTSA-N 316.376 3.327 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1nc2c(C)ccc(C)c2s1)C(C)C 24553770 ARIPVWYNUKMMCI-GFCCVEGCSA-N 319.430 3.012 0 40 DGAB CC(C)Oc1cccc(NS(=O)(=O)Cc2ccccc2)c1 24613967 LZIRVXNELYXTFW-UHFFFAOYSA-N 305.399 3.416 0 40 DGAB COc1ccc(Sc2nc3ccccc3n3cnnc23)cc1 1388151 RJNKIZKZJUKVGM-UHFFFAOYSA-N 308.366 3.437 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@@H](C)OC[C@@H]2CCCCO2)cc1 57992891 SHUHFCFDACYGLM-DAYGRLMNSA-N 319.445 3.400 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)Nc1ccn(Cc2ccccn2)n1 58326754 IFXNVCPRINMILV-RMKNXTFCSA-N 322.343 3.117 0 40 DGAB COc1ccc(NC(=O)c2c(Cl)nc3ccccn23)cc1 3231227 KARUKOGUIUDNJS-UHFFFAOYSA-N 301.733 3.249 0 40 DGAB O=C1NCCCC[C@H]1Sc1nccn1-c1cccc(Cl)c1 10989722 BACKXVDSEODXFZ-CYBMUJFWSA-N 321.833 3.287 0 40 DGAB CC[C@@H](NC(=O)CCNC(=O)c1ccsc1)c1cccs1 48279090 WHQRVKIPIQUFKS-GFCCVEGCSA-N 322.455 3.197 0 40 DGAB O=C(Nc1ccc(-c2cn3cccnc3n2)cc1)c1ccncc1 48242070 HXHHIGAMLNEYOP-UHFFFAOYSA-N 315.336 3.044 0 40 DGAB Cc1cc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)c(C)o1 3464451 MMMTUAMKMRCYDE-LLVKDONJSA-N 319.332 3.070 0 40 DGAB CNC(=O)c1ccc(CN(Cc2cccs2)C2CC2)cc1 69515140 ILXJCQJQXPCAPA-UHFFFAOYSA-N 300.427 3.272 0 40 DGAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 69564694 MZXQEPVVSDVCSI-QZTJIDSGSA-N 324.424 3.184 0 40 DGAB O=C(NCc1ccc(F)cc1)[C@H]1Cc2cc(Cl)ccc2O1 12998974 HWURSSPMCZCZEN-OAHLLOKOSA-N 305.736 3.099 0 40 DGAB CCc1ccc(NC(=O)CCCNC(=O)c2ccsc2)cc1 12988693 OJGRDOILECXICU-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB Cc1cccc(C(C)(C)CNC(=O)CSc2nncs2)c1 62929756 OVRKRCXSQJMTMH-UHFFFAOYSA-N 321.471 3.033 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1csnn1 49524739 DOAAFBKXAGCENR-UHFFFAOYSA-N 302.384 3.278 0 40 DGAB Cc1cccc(-c2ccc(CNC(=O)c3cccc[n+]3[O-])cc2)c1 69978504 IGSMPWOJAARKTO-UHFFFAOYSA-N 318.376 3.225 0 40 DGAB COc1ccc(S(=O)(=O)N2CCc3ccccc32)c(C)c1C 5016725 CEAHFHGLWYSNQM-UHFFFAOYSA-N 317.410 3.063 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c(F)c1 14164464 JIQQFTFSONOILW-VFZGTOFNSA-N 305.280 3.132 0 40 DGAB Cc1cccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C)n2)c1 6747739 BTQFRYMSBIPTNA-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB CN(Cc1cccs1)C1CCN(CCc2ccccn2)CC1 92645363 WMZMKBBQIGZKIB-UHFFFAOYSA-N 315.486 3.282 0 40 DGAB Cc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(C)n1C(C)C 15580695 YMBBHKKOJUWGNR-UHFFFAOYSA-N 312.373 3.108 0 40 DGAB OCc1ccc(CNc2cnn(Cc3ccc(Cl)cc3)c2)o1 90200426 CFZWKYXOXAPSTI-UHFFFAOYSA-N 317.776 3.282 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)c(C)c1 7610174 NUHPYBRLCDRNMV-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1cc(NC(=O)COc2cccc(C)c2C)cc(OC)c1 7969697 QTEYPGXSJYBFOT-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB COC(=O)CCNc1ncnc2scc(-c3ccccc3)c12 8150648 NIPVOYMIICCYOS-UHFFFAOYSA-N 313.382 3.333 0 40 DGAB C[C@@H](O)CNc1ncnc2scc(-c3ccc(F)cc3)c12 8177633 KZIOABWZADQIBS-SECBINFHSA-N 303.362 3.290 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCCc2cccc(Cl)c2)c1 9723497 JQVFGLIIOHVXAH-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB COc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCCO2 9501851 ACUYTNIGXUJEBY-VQHVLOKHSA-N 311.337 3.118 0 40 DGAB C[C@@H](CN(C)C(=O)NC[C@@H]1Cc2ccccc21)c1nccs1 97107881 DEJAPOIDTCRPBS-JSGCOSHPSA-N 315.442 3.228 0 40 DGAB CN(Cc1cnccn1)C(=O)C(C)(C)Cc1cccc(Cl)c1 84766696 KCJAXSZSNQPHOF-UHFFFAOYSA-N 317.820 3.357 0 40 DGAB C[C@H](Cc1cccs1)C(=O)N1CC[C@@H](O)c2ccccc2C1 95467309 KDEYQJMQDALDKW-CXAGYDPISA-N 315.438 3.393 0 40 DGAB Cc1cccc(CC(=O)N[C@@H](C)[C@@H](O)c2c(F)cccc2F)c1 95430094 LYTGJSFSOKVLKD-KPZWWZAWSA-N 319.351 3.054 0 40 DGAB Cc1n[nH]c(SCCC(=O)N2CCC[C@@H]2c2cccs2)n1 73401646 UJWBSUSVWMTAFQ-LLVKDONJSA-N 322.459 3.021 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)NCc2cccc(CO)c2)C1 89275084 RYYHROQUWSFELM-HZPDHXFCSA-N 322.474 3.042 0 40 DGAB CN(Cc1cnccn1)C(=O)NCC1(Cc2ccccc2)CCC1 89364859 IRBZBIFBPLXDIH-UHFFFAOYSA-N 324.428 3.031 0 40 DGAB CCc1c(C(=O)CN2CCSC(C)(C)C2)[nH]c(C)c1C(C)=O 75107717 WCIBTBZNUAIALD-UHFFFAOYSA-N 322.474 3.098 0 40 DGAB Cc1ccc(C(=O)N2CCC(CCc3ccccc3)CC2)c(=O)[nH]1 75118423 OMASPZSNBHIZBX-UHFFFAOYSA-N 324.424 3.168 0 40 DGAB CC(C)(CO)CCCNC(=O)N1CC=C(c2cccs2)CC1 86404231 OOBFUWJRWNBCBK-UHFFFAOYSA-N 322.474 3.346 0 40 DGAB CCCCCCNC(=O)C(=O)NCc1ccc(C(C)C)cc1 408707286 MFVGBYVFCGLHRX-UHFFFAOYSA-N 304.434 3.123 0 40 DGAB OC[C@@H](C1CC1)[C@@H](Nc1ncnc2[nH]c3ccccc3c12)C1CC1 556242054 JQSRMRWZAZKDLX-YOEHRIQHSA-N 322.412 3.320 0 40 DGAB CCOc1cccc([C@@H](C)NC(=O)c2n[nH]c3ccccc23)c1 60185413 UAVSRMRFGKYTLU-GFCCVEGCSA-N 309.369 3.453 0 40 DGAB COc1cccc(CN2[C@H](C(=O)O)CC[C@H]2c2ccccc2)c1 521273331 OMYFGKJEPIAFPB-ROUUACIJSA-N 311.381 3.486 0 40 DGAB COCCN1CCC[C@@H](c2nc(C)n3c(C)c(C)sc23)C1 72367890 KRWZZINXSUTSAJ-CQSZACIVSA-N 307.463 3.147 0 40 DGAB Cc1cc(CNC(=O)[C@@H](C)OCc2ccccc2)ccc1F 32919421 HYMIJXUSQHGGCK-CQSZACIVSA-N 301.361 3.356 0 40 DGAB Cc1ccc(C)c(CC(=O)Nc2ccc(N3CCOCC3)cc2)c1 76109199 KCKPBFPPWYYMCK-UHFFFAOYSA-N 324.424 3.321 0 40 DGAB Cc1cccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 72389923 MDIPXWRWUSWUMK-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB Cc1ccc(F)c(NC(=S)Nc2cccc(C(N)=O)c2)c1 71325940 QYDSNXAISDHTMG-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB CCOC(=O)c1ccc(CC)c(I)c1 39951749 UDLZFBSLGCLGOH-UHFFFAOYSA-N 304.127 3.030 0 40 DGAB Cc1ccc([C@@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 72384950 WJKBUKVGFCEPBS-INIZCTEOSA-N 316.788 3.257 0 40 DGAB Cc1cc(C(F)(F)F)nc(N[C@@H](C)Cn2nc(C)cc2C)n1 36613339 DRHMWGWWFTYEPL-JTQLQIEISA-N 313.327 3.118 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72227489 FYNFMFOMPCYPJZ-CABCVRRESA-N 320.314 3.429 0 40 DGAB CC(C)COCCCNC(=O)c1ccc(C(F)(F)F)cc1 40013060 GQJKIXMPPKXIGL-UHFFFAOYSA-N 303.324 3.498 0 40 DGAB O=C(Nc1ccnnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 567219066 XQBRZPNRTVDCSI-HNNXBMFYSA-N 322.372 3.112 0 40 DGAB Cc1nc(CC(=O)NC[C@H](C)Oc2ccc(Cl)cc2)cs1 81348315 HIIDTHVVCSMGOD-JTQLQIEISA-N 324.833 3.231 0 40 DGAB COc1cccc(O[C@@H](Cc2cc(C)cc(C)c2)C(=O)O)c1 225037174 LABDPANHJXBTPI-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB COc1ccc(CCCNC(=S)Nc2ccncc2)cc1 225558135 BRMZIFQSKZDSMW-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB O=C(NCc1cnn2ccccc12)Nc1ccccc1Cl 75162915 JOMVJEGGOAEYGR-UHFFFAOYSA-N 300.749 3.309 0 40 DGAB COC(=O)c1cc(NC(=O)C(C)(C)C)ccc1OCC(C)C 225784890 FROFRFZFOXBBFF-UHFFFAOYSA-N 307.390 3.493 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1ccc(C)cc1C 225140735 WCJBKUVKUMQMMN-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CSc1ccc([C@@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1 44919202 TZLHOIFOQCKGHS-ZDUSSCGKSA-N 305.428 3.215 0 40 DGAB O=C(NC[C@H](O)c1csc2ccccc12)[C@H]1CC=CCC1 225694018 IHJAVHBAWUJJFD-WFASDCNBSA-N 301.411 3.407 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CC 223190472 RZQBEBROAKTTHZ-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226254755 CXJSEJWMMXJMDC-RSUATGCGSA-N 313.784 3.206 0 40 DGAB COc1ccc(-c2nnsc2C(=O)N2CCCCCC2)cc1 225763050 MTLMTLCRZAHPBN-UHFFFAOYSA-N 317.414 3.230 0 40 DGAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4ccc(C)s4)C[C@H]3O2)n1 96042962 KTFSDTQXIZIWTA-AEGPPILISA-N 319.430 3.100 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](CCc1ccc(Cl)cc1)C(=O)O 95749099 HIRGYZSRNFOLSK-LBPRGKRZSA-N 313.781 3.251 0 40 DGAB O=C(CSc1ccc(Cl)c(Cl)c1)NC1CCOCC1 96430241 PSPPQTKHSNIJEL-UHFFFAOYSA-N 320.241 3.381 0 40 DGAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccccc1Br 95095929 ZBYLJENHRNKREN-XVKPBYJWSA-N 311.097 3.468 0 40 DGAB Cc1cc(OCCC2OCCCO2)ccc1Br 95734252 GAENTCRZYPOHJK-UHFFFAOYSA-N 301.180 3.289 0 40 DGAB CCOC[C@H]1CCC2(CCN(Cc3cccs3)CC2)N1C 96208834 RNDKXIHORHBUDN-OAHLLOKOSA-N 308.491 3.213 0 40 DGAB CC[C@H](NC(=O)N[C@@H](C)Cn1ccnc1)c1cc(F)ccc1F 96419870 SPCMITQCHLXXAM-NHYWBVRUSA-N 322.359 3.000 0 40 DGAB O=C(Nc1cc(F)ccc1SCC(F)F)N1CCOCC1 96416031 NSQRAUQLSIOFDT-UHFFFAOYSA-N 320.336 3.047 0 40 DGAB CCc1ccc([C@H](COC)NC(=O)Nc2cccnc2Cl)o1 96441327 YJRZGUFDPCNEEP-LBPRGKRZSA-N 323.780 3.400 0 40 DGAB COc1ccc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)cc1 95533941 VGXAKIHJKRPQQU-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 257220432 DKVCBFCYIGTKKN-QGZVFWFLSA-N 310.445 3.308 0 40 DGAB Cc1cc(N2CCC[C@@](C)(C(=O)Nc3ccccc3)C2)ncn1 257283448 OYJUWLLKBKUWEO-GOSISDBHSA-N 310.401 3.030 0 40 DGAB c1ccc(CN2CCC[C@@H](c3nc(C4CSC4)no3)C2)cc1 585120317 HJHKUICZAIYYPZ-CQSZACIVSA-N 315.442 3.280 0 40 DGAB CCCCN(C)c1ccc(C(=O)N[C@@H](C)c2cnccn2)cc1 585125780 FKHWPBBLFYWFKX-AWEZNQCLSA-N 312.417 3.204 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 257319873 VUJVZTJRXZNQJR-ZDUSSCGKSA-N 315.442 3.288 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@H](O)C(F)(F)F 261508148 PZVPCYIOYOTOEP-QWRGUYRKSA-N 305.296 3.176 0 40 DGAB O=C(Nc1ccccc1)N1CCCCC[C@H]1C1CCNCC1 68589810 MNKDMSOCNQOAOK-KRWDZBQOSA-N 301.434 3.463 0 40 DGAB in-vitro O=C(CCCc1ccccn1)Nc1ccc(-c2nnco2)cc1 71903369 PSAFZRIODRTWQR-UHFFFAOYSA-N 308.341 3.093 0 40 DGAB CC1([C@@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)OCCO1 97372388 WTHBSWJIJZWVMM-SNVBAGLBSA-N 315.822 3.017 0 40 DGAB CN(CCOc1ccccc1Cl)CC(=O)NC1CCCCC1 15103338 XPSMNYIOEKENPR-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@H]1CCCO1 21030792 DKXXYNJXRMATKI-MRXNPFEDSA-N 307.353 3.119 0 40 DGAB O=C(NCC1CCN(CC(F)(F)F)CC1)Nc1cccs1 1775966153 VDQGRNHIFZLENY-UHFFFAOYSA-N 321.368 3.144 0 40 DGAB CCc1ccccc1Nc1ncnc2c1ncn2C[C@H]1CCCO1 2298094949 BGUGNOQNOMZMMX-CQSZACIVSA-N 323.400 3.311 0 40 DGAB O=C(NC1CCN(Cc2c(F)cccc2Cl)CC1)C1CCC1 368922258 GMMQBIVPJSXPTC-UHFFFAOYSA-N 324.827 3.360 0 40 DGAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@@]2(O)CCN1C(C)=O 12861340 CTGDXOZPIXKQGX-YTQUADARSA-N 317.429 3.300 0 40 DGAB biogenic Cc1cc(C)nc(NC(=O)c2ccc(Br)cc2)n1 90880 XETMMFGTFSSYLZ-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CC(C)N(Cc1ccccc1)Cc1cc(=O)n2ccccc2n1 40473313 KYSKXIXKDSNGOA-UHFFFAOYSA-N 307.397 3.105 0 40 DGAB CCCCc1ccc(NC(=O)N2CCC3(CC2)OCCO3)cc1 20594897 ZJWRWQOKVKLTAC-UHFFFAOYSA-N 318.417 3.400 0 40 DGAB O=Cc1nc(Br)c(-c2ccc(Cl)c(F)c2)[nH]1 1857794575 BKSLDTYUZTXTSU-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB c1ccc(CNc2nc(N3CCOCC3)c3ccccc3n2)cc1 4186285 GSSSJVYNECTSRC-UHFFFAOYSA-N 320.396 3.079 0 40 DGAB Cc1ccc(CNC(=O)NC[C@@H](c2ccccc2)N(C)C)cc1 32862772 PNVBKIXSWZVTHP-SFHVURJKSA-N 311.429 3.097 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 6787524 YWWOLPZOUCIVNW-DLOVCJGASA-N 317.355 3.466 0 40 DGAB C[C@H]1CCc2c(sc3nc(CN4CCCCC4)[nH]c(=O)c23)C1 2616123 JKMRMTACQSGKBL-NSHDSACASA-N 317.458 3.095 0 40 DGAB CC[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(=O)OC)C1 483994 XJCZIXFITZPATB-SECBINFHSA-N 307.415 3.398 0 40 DGAB COC(=O)[C@H](C)Sc1nnc2cc(C)c3cccc(C)c3n12 11903149 WEOXJYUZASNFMW-NSHDSACASA-N 315.398 3.153 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)c1ccccc1 8275498 OTLRZCKRPAOKRX-UHFFFAOYSA-N 302.761 3.017 0 40 DGAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1cccnc1 69569217 PKTMYPWEJSKULX-LLVKDONJSA-N 324.302 3.184 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)nc1)c1n[nH]c2ccccc12 22832569 ZWFQSMROWPOOHZ-UHFFFAOYSA-N 321.384 3.201 0 40 DGAB O=C(NCCCCc1ccccc1)[C@H]1CCCC[C@H]1C(=O)O 3096091 IXLNPBARHKASTP-JKSUJKDBSA-N 303.402 3.017 0 40 DGAB CC(=O)N1Cc2ccccc2C[C@H]1C(=O)Nc1cc(C)cc(C)c1 23702660 HIFDZZSIUPLJIH-IBGZPJMESA-N 322.408 3.215 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(-n3cccc3)cc2)cn1 69628702 QKWGYZMLRWXLIL-GOSISDBHSA-N 320.396 3.188 0 40 DGAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@H](C(=O)O)C(C)C 59434493 JWFSESCCIQSBAR-HNNXBMFYSA-N 301.342 3.094 0 40 DGAB C[C@@H](CCc1ccccc1)NS(=O)(=O)Cc1ccc(F)cc1 25067228 IENGFNDZMIUCEN-AWEZNQCLSA-N 321.417 3.266 0 40 DGAB Cc1ccccc1C1CCN(C(=O)c2ccc3[nH]nnc3c2)CC1 106778246 VTBIHWBCYAWDTH-UHFFFAOYSA-N 320.396 3.286 0 40 DGAB O=C(Nc1cccnc1)c1nn(-c2ccc(F)cc2)c2c1CCC2 12545347 LBINPJUITHIBPI-UHFFFAOYSA-N 322.343 3.147 0 40 DGAB COC(=O)c1ccccc1NC(=O)Nc1cc(F)ccc1F 51354414 QYBGDPBWHRXIBP-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccncc2)sc(C)c1C 1946502 SIRKUDYOQADFRJ-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCc2nnc(S)n2C(C)C)C1(C)C 108899150 YMBBIVKFSHKNDP-WCQYABFASA-N 322.478 3.002 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1c1cccs1 58042101 AFQUESHTOUXENC-CQSZACIVSA-N 324.409 3.306 0 40 DGAB Cc1csc(CNC(=O)c2cc(C3CC3)nn2C(C)(C)C)n1 44952219 KMBRVYMBAHKDLE-UHFFFAOYSA-N 318.446 3.210 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)[C@@H]1CCCO1 27908125 OTNVZVJTERVLDI-YGRLFVJLSA-N 320.776 3.292 0 40 DGAB Cc1ccccc1C(=O)NC(=S)N(c1ccccn1)C(C)C 12651317 VJCLRTBCOBBKIC-UHFFFAOYSA-N 313.426 3.320 0 40 DGAB COCc1ccc(C(=O)NCc2ccccc2OC(F)F)cc1 12826342 WVKCZGZCRROBQD-UHFFFAOYSA-N 321.323 3.364 0 40 DGAB Cc1cnn(CCNCc2csc(-c3cccs3)n2)c1 69896989 CAMUHGDKHNQEAU-UHFFFAOYSA-N 304.444 3.166 0 40 DGAB Nn1cc(-c2ccccc2)nc1SCCOc1ccccc1 4251760 BHMVBNWGOCZUSF-UHFFFAOYSA-N 311.410 3.435 0 40 DGAB Nc1nc(Nc2cccc3ccccc23)nc([C@H]2CCCC2=O)n1 18325006 BQKRFZWEWZMHLD-ZDUSSCGKSA-N 319.368 3.187 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc(F)cc1Cl)C2 65184568 RYOUYKVNVBEXMV-UHFFFAOYSA-N 321.735 3.413 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccnn2CC)cc1OCC 6652959 BPVUKCIQSDNCHN-UHFFFAOYSA-N 317.389 3.343 0 40 DGAB COCc1nnc2sc(-c3cc(Cl)ccc3Cl)nn12 6661625 QBUYVHXJJSWADE-UHFFFAOYSA-N 315.185 3.306 0 40 DGAB O=C(c1ccc(Cl)cc1)c1ccc(O[C@H]2CCNC2)cc1 14632234 KOFXPJYSNZZLHH-INIZCTEOSA-N 301.773 3.312 0 40 DGAB in-vitro O=C(COc1ccccc1OCC(F)(F)F)N1CCCCC1 66825161 MZIBXSNOZJSPOB-UHFFFAOYSA-N 317.307 3.019 0 40 DGAB CN(C)CCCNC(=S)Nc1ccc(SC(F)F)cc1 7526514 VFQUAHFCBDQFOS-UHFFFAOYSA-N 319.446 3.239 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)[C@H](CC(C)C)NC(N)=O)cc1 7785355 OXXQVRRKZVQWAO-WFASDCNBSA-N 305.422 3.222 0 40 DGAB C[C@@H](Sc1nnc(N)s1)c1nnc(-c2cccs2)o1 8186075 LQJSEYJQFBHKFI-RXMQYKEDSA-N 311.417 3.085 0 40 DGAB NC(=O)c1ccc(COc2cccc(Br)c2)cc1 16744046 SQEXYIKREHZMQI-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB COc1cc(C(C)=O)ccc1O[C@H](C)C(=O)N1CCCCCC1 69449605 SFCFGQTUNIHUHF-CQSZACIVSA-N 319.401 3.068 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2Cl)o1 71898164 HLQATJPJNBAFSB-GFCCVEGCSA-N 314.168 3.358 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@@H](C)n1cccc1 71872150 YUZJNBUOUZDXIE-CZUORRHYSA-N 314.433 3.153 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)CCc1ccco1 75602237 BBSJHTJORDJVSV-ZDUSSCGKSA-N 321.808 3.271 0 40 DGAB CC(C)Oc1ccccc1CC(=O)N1CCCO[C@H]2CCC[C@H]21 71909675 YSXOSGWRXOZNLZ-AEFFLSMTSA-N 317.429 3.186 0 40 DGAB C/C(=C\c1ccccc1)CNC[C@H]1CCCN1c1cccnn1 72254095 BNBPVWPBKBSWPQ-IYICPGQYSA-N 308.429 3.139 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](c2ccn[nH]2)C1 72293478 BADCEYYOZWRHTF-XIRDDKMYSA-N 309.413 3.228 0 40 DGAB Cc1cccc2c1C(=O)N[C@H](c1c(C(C)C)nn(C)c1Cl)N2 84229722 CFJWSYFFPYITCX-OAHLLOKOSA-N 318.808 3.359 0 40 DGAB CCOC(=O)[C@@H](Cc1ccccc1)Nc1cccc(COC)c1 97141387 IELFMEIUIYFQFK-GOSISDBHSA-N 313.397 3.419 0 40 DGAB C[C@@H](OC(=O)c1ccc(N2CCCC2)nc1)c1nccs1 97164175 DGOUXXNOKRYBSO-LLVKDONJSA-N 303.387 3.056 0 40 DGAB O=C(Nc1cccc(NCc2cccc3c2OCO3)c1)C1CC1 77760856 MOOXSUWUJSEBQE-UHFFFAOYSA-N 310.353 3.376 0 40 DGAB CCc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 72333738 WNMHLGWZXODFDQ-UHFFFAOYSA-N 315.413 3.413 0 40 DGAB C[C@@H](CO)N(C)C(=O)N[C@H](C)c1cc(F)c(Cl)cc1Cl 97230485 CTTSBAZLRLAUKQ-JGVFFNPUSA-N 323.195 3.216 0 40 DGAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(CN)cc1 97229023 PXNFICQFUHTLEC-GOSISDBHSA-N 323.440 3.016 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cnc3ccccc3c2)cc1 72414242 HPINYZQNMDIXJI-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB Cc1nc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 78890662 XUAUTDVXUZYJFU-LBPRGKRZSA-N 304.419 3.092 0 40 DGAB Cc1nc(CSCc2ccn(-c3ccc(F)cc3)n2)no1 78935956 ASAUJHAGJSPWFN-UHFFFAOYSA-N 304.350 3.136 0 40 DGAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccncc2F)cs1 78933357 VEYWKPPGTGCWDA-SNVBAGLBSA-N 323.393 3.047 0 40 DGAB CCn1nc(C)cc1C(=O)N1C[C@@H](C)Sc2ccccc21 88222990 YTPKISDXDXERLZ-GFCCVEGCSA-N 301.415 3.352 0 40 DGAB Cc1ccnc([C@@H](NC(=O)C2CCC(F)(F)CC2)C2CC2)n1 95979753 BKOZYYATQBDWLW-ZDUSSCGKSA-N 309.360 3.178 0 40 DGAB O=C1[C@H](N2Cc3ccccc3-c3ccccc3C2)CCN1C1CC1 95963684 ZMTPWEJZNBOBEJ-HXUWFJFHSA-N 318.420 3.433 0 40 DGAB COc1ccc2c(c1)[C@@H](NC[C@@H](O)c1ccsc1)CCCO2 95968294 ZOHKSHNINHQTOI-JKSUJKDBSA-N 319.426 3.294 0 40 DGAB Cc1cc(NC(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 89262674 CKTRXRMUGKKSBY-OCCSQVGLSA-N 321.764 3.288 0 40 DGAB COc1cc(C(=O)N2CCC[C@@H]2c2nnc(C)o2)ccc1Cl 89511763 SRUBALGMAKHCBG-GFCCVEGCSA-N 321.764 3.017 0 40 DGAB CN(Cc1ccccc1N1CCCC1)C(=O)/C=C/c1ccncc1 75138924 WSGDEEJJCZRNAG-CMDGGOBGSA-N 321.424 3.354 0 40 DGAB Cc1cccc(-c2ccc(C(=O)N(C)Cc3ccco3)c(=O)[nH]2)c1 75117468 AYUTYACOEOBRPR-UHFFFAOYSA-N 322.364 3.216 0 40 DGAB Cc1cn2c(CN(C)C(=O)c3scnc3C)c(C)nc2s1 89740252 HYKNRXGEHBVKQQ-UHFFFAOYSA-N 320.443 3.050 0 40 DGAB O=C(c1ccncc1)N(Cc1ccccc1)CC1(O)CCCC1 89832547 MRCQDSUQZNUQOF-UHFFFAOYSA-N 310.397 3.029 0 40 DGAB Cc1ccc2cc3c(nc2c1C)OCC(=O)N(Cc1ccco1)C3 72341557 UDYAAYVRLQQXQG-UHFFFAOYSA-N 322.364 3.366 0 40 DGAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2ccccc2F)C1=O 36635704 VGHJGQKNCWVINN-CQSZACIVSA-N 312.344 3.187 0 40 DGAB COc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1C 30319759 YWHFBFHQMBDARH-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc2ncccc2c1 71280218 FRZFGRLASILKHQ-CYBMUJFWSA-N 322.368 3.429 0 40 DGAB CCc1ccc([C@@H](NC(=O)CCc2cnn(C)c2)C(C)(C)C)o1 71070793 FIGGIWGNBTWLLD-QGZVFWFLSA-N 317.433 3.412 0 40 DGAB CCc1ccc(CN2[C@H]3CC[C@@H]2Cc2nc(C)nc(O)c2C3)cc1 72372993 WBSHPIRITDNBBW-DLBZAZTESA-N 323.440 3.185 0 40 DGAB Cc1cc2cc(NC(=O)N3CCCC3(C)C)ccc2n(C)c1=O 520348067 UQHODRLTCUXNGX-UHFFFAOYSA-N 313.401 3.253 0 40 DGAB COC(=O)c1n[nH]c(-c2cccc(Cl)c2)c1Br 38478090 SUTFCVNVKHYXER-UHFFFAOYSA-N 315.554 3.279 0 40 DGAB CCN(c1ccccc1)c1ccc2nnc(C(F)(F)F)n2n1 32105465 XOTFGHTWEXZNCL-UHFFFAOYSA-N 307.279 3.301 0 40 DGAB O=C(N=c1ccc(-c2ccccc2)n[nH]1)C1(C(F)F)CCCC1 567513026 TZUFPISXVZOAFH-UHFFFAOYSA-N 317.339 3.330 0 40 DGAB Cc1cc2cc3c(nc2cc1C)OCC(=O)N(Cc1ccco1)C3 72341558 ZJWUJWBASOYVOY-UHFFFAOYSA-N 322.364 3.366 0 40 DGAB O=C(c1cccc2ccccc12)N1CCC2(CC1)OCCCO2 75156625 ADJCKCWZSSABOQ-UHFFFAOYSA-N 311.381 3.209 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC(C)C 222410602 WVFKIMMZRGCOHH-KRWDZBQOSA-N 318.461 3.427 0 40 DGAB COc1cccc2cc(C(=O)Nc3nnc(SC)s3)oc12 224836257 HHGSQSGJNMHEKD-UHFFFAOYSA-N 321.383 3.267 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccc(F)cc2)cc1 222784040 VIASBVPNDVUSSP-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB COc1cccc([C@@H](C)CC(=O)NCCc2ccc(C)nc2)c1 84601293 LNIAOORVPRTKBX-AWEZNQCLSA-N 312.413 3.251 0 40 DGAB O=C(/C=C/c1ccco1)NCCc1nc(C(F)(F)F)cs1 96432818 SSQIJEZQUFWNDS-ONEGZZNKSA-N 316.304 3.127 0 40 DGAB CCNC(=O)CCCC(=O)N1CCCC[C@H]1c1ccc(C)cc1 96423824 KXDJIRXIVKUZIH-KRWDZBQOSA-N 316.445 3.355 0 40 DGAB FC(F)(F)c1ccnc(NCc2ccc(-n3cncn3)cc2)c1 91432075 BZCGHJXXUVTLIB-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB CC(C)=CC(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 96413971 JLQSPAHFXZHSBM-UHFFFAOYSA-N 315.461 3.369 0 40 DGAB c1cc2n(c1)C[C@H](OCc1ccncc1)CN(CC1CCC1)C2 253588396 BBAVJVKNQBTLGJ-LJQANCHMSA-N 311.429 3.084 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccc(-c3ncc(C)s3)nc2)C1 257214328 CLPBGJMSNWTEFF-HNNXBMFYSA-N 315.442 3.315 0 40 DGAB O=C(c1cccs1)N1CCCC[C@H]1c1ccn2nccc2n1 257293754 QRAROUKJRUTXGR-ZDUSSCGKSA-N 312.398 3.158 0 40 DGAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(Cl)c(F)c2)n1 257252407 JUROHCJDSCXUEY-AWEZNQCLSA-N 309.772 3.084 0 40 DGAB O=C(Nc1cnc(-n2cccn2)nc1)c1cccc2ccccc12 85470348 VXSUWFAXAJVLOA-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CCOC(=O)/C(=C/c1ccc(SC)cc1)c1nccn1C 58218016 HBJCRFPRMQLJRR-SDNWHVSQSA-N 302.399 3.246 0 40 DGAB Cc1noc(C2CCN(CCCOc3ccc(F)cc3)CC2)n1 54678592 OJECOICTBVWANX-UHFFFAOYSA-N 319.380 3.166 0 40 DGAB CCOc1ccc(OC)cc1NC(=O)c1noc2c1CCCC2 69582177 WYGQHCVVMGLWNW-UHFFFAOYSA-N 316.357 3.213 0 40 DGAB COc1ccc(OCc2cccc(C(=O)N(C)C)c2)cc1F 69815867 RAYHLDXOEFHROO-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB CC(C)n1cc(S(=O)(=O)N(c2ccccc2)C2(C)CC2)cn1 585128625 IKPCDEKTIJBNLL-UHFFFAOYSA-N 319.430 3.212 0 40 DGAB O=C(CN1CCC(c2ccc(F)cc2)CC1)N1CCCCC1 12113947 HCAHVBKPFFEDQJ-UHFFFAOYSA-N 304.409 3.018 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1cc(-c2ccccc2)n[nH]1 16194301 ACLKRNVXGUBLGS-UHFFFAOYSA-N 321.336 3.116 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)cc1N 226304200 JFZBYYJQHIOINH-STQMWFEESA-N 314.385 3.087 0 40 DGAB CO[C@@H]1CCN(Cc2cscn2)C[C@H]1Cc1cccc(F)c1 643914397 QJLQWYNIEBJUAR-RHSMWYFYSA-N 320.433 3.362 0 40 DGAB O=C(CCc1cccnc1)NCc1coc(-c2cccs2)n1 10879176 XRHQLDHMWKDPQO-UHFFFAOYSA-N 313.382 3.047 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2ncc(Cl)cc2Cl)C1 1888853202 SFWHKFMDTNOJNO-SECBINFHSA-N 316.232 3.129 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)Nc2nnc(C3CC3)s2)cc1 20914601 BETKXKHXQVROGX-JTQLQIEISA-N 303.387 3.130 0 40 DGAB COc1ccc(CCNC(=O)c2cc3nc(C)ccc3o2)cc1 8798591 DVQINYSZUNRNSF-UHFFFAOYSA-N 310.353 3.117 0 40 DGAB Cc1nn(C)cc1CN(C)C(=O)c1ccccc1C(F)(F)F 12065032 ZOBLQYUDENAZIW-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB COc1ccc(NC(=O)c2oc3ccccc3c2N)cc1OC 19724420 SQDDNJILDLHWDQ-UHFFFAOYSA-N 312.325 3.285 0 40 DGAB Cn1cnc2c(NCc3cc(-c4ccco4)cs3)ncnc21 1775971938 ZHOZICAQHNOMDQ-UHFFFAOYSA-N 311.370 3.297 0 40 DGAB O=C(Cc1ccsc1)NCC[C@@H](CCO)c1cccs1 575622441 YUEDMJRPMBPDFK-ZDUSSCGKSA-N 309.456 3.025 0 40 DGAB OCC[C@H]1CCCCN1Cc1cc(Br)ccc1F 50104900 FCGROXLJABOIMD-CYBMUJFWSA-N 316.214 3.325 0 40 DGAB Cc1cc2occ(CC(=O)N3C[C@@H](C)O[C@H](C)C3)c2cc1C 30807298 WRUXWEHSNACVBU-ZIAGYGMSSA-N 301.386 3.228 0 40 DGAB CC(=O)NC(Nc1ccc(C)cc1)(C(F)(F)F)C(F)(F)F 161707 SEWPEZKWNUQVIF-UHFFFAOYSA-N 314.229 3.364 0 40 DGAB O=C(NCCCn1cccn1)Nc1ccc(Cl)cc1Cl 40525644 CHKVJZVIHGHMLR-UHFFFAOYSA-N 313.188 3.402 0 40 DGAB CCN(Cc1cc(=O)n2ccccc2n1)Cc1ccccc1C 40520412 QAWKVYCIFRWXIY-UHFFFAOYSA-N 307.397 3.025 0 40 DGAB CC(C)(C)c1cc(NC(=O)C(Cl)=C(Cl)Cl)nc(N)n1 159996 APNZYJMSCYAPTP-UHFFFAOYSA-N 323.611 3.180 0 40 DGAB O=C(c1ccccc1Cl)N1CCN(c2ccccc2F)CC1 516045 DENKSHGJSQFWOH-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB COC(=O)c1cc(NC(=O)COc2ccccc2)ccc1Cl 562864 ACQBAVQPFMFMSA-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(C)(C)C(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 569659 BEDNNWVETAAGEI-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB C[C@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncccn1 1371917 KWYGOHXRJUAPOQ-NSHDSACASA-N 317.389 3.076 0 40 DGAB CCOC(=O)c1sc(NC(=O)COc2ccccc2)cc1C 3216133 FACDXHFLHOQOPU-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)[C@H]1C[C@H]1C 3339105 SSPSTUUJDAJLID-YPMHNXCESA-N 319.401 3.130 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)c1 3443083 BGILHOIKARCCRD-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CCOc1ccc(C(=O)N2CCN=C2SCC)cc1OCC 4119773 FUTBJZPQWKGPNE-UHFFFAOYSA-N 322.430 3.049 0 40 DGAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccn1C 4166567 MDNDDGAMPQNOTB-IIAWOOMASA-N 321.417 3.186 0 40 DGAB COc1ccccc1-n1nnc(C(=O)Nc2ccccc2C)c1C 4511596 BNZWNJZRNRPQOF-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB C[C@H](CO)N1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12 4740099 QBEPPLKBCKJLKA-KZULUSFZSA-N 306.365 3.094 0 40 DGAB CCCCC(=O)Nc1cc(C)c(NC(=O)c2ccco2)cn1 4858195 ZDVLOAWEJKFWJK-UHFFFAOYSA-N 301.346 3.364 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1ccc(C(F)(F)F)cc1 5109868 MLADGDKKTLCSCS-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB Cc1c(C(=O)NCc2ccco2)oc2c1C(=O)CC(C)(C)C2 5304696 FSIFQPOAIXJSSJ-UHFFFAOYSA-N 301.342 3.266 0 40 DGAB Clc1ccc(COc2cccc(CNc3nn[nH]n3)c2)cc1 5671357 LBDUZNBXCJQLSR-UHFFFAOYSA-N 315.764 3.044 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)c1 5698223 XYMDIXKDNNYJBO-AUOOEQCUSA-N 315.413 3.228 0 40 DGAB C[C@H]1CCCN(C(=O)COC(=O)c2ccc3ccccc3c2)C1 6460901 SZWJDTPNLLKALW-AWEZNQCLSA-N 311.381 3.255 0 40 DGAB Cc1ccc2nc(S[C@H](C)C(=O)NCc3ccco3)[nH]c2c1 6506702 QSJLYLXLBPUSLG-LLVKDONJSA-N 315.398 3.261 0 40 DGAB Cc1ccc2c(CC(=O)N=c3[nH]c4ccccc4[nH]3)coc2c1 6566981 JHUZBUPMUFKYMS-UHFFFAOYSA-N 305.337 3.221 0 40 DGAB CC(C)[C@@H](NC(=O)c1cccc(NC(N)=O)c1)c1cccs1 7121210 AQNDSJWTIQUUBO-CQSZACIVSA-N 317.414 3.366 0 40 DGAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC(C)(C)C)o1 7167306 RIJZICZNZQDCLJ-SECBINFHSA-N 309.391 3.033 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2nnc(C3CC3)s2)c1 7407511 SMOYOINLUOUFFY-UHFFFAOYSA-N 303.387 3.050 0 40 DGAB c1csc(-c2nc(CSc3nnnn3C3CC3)co2)c1 8185866 VIPKRXBMWSNADV-UHFFFAOYSA-N 305.388 3.017 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@@H](OC)c2ccccc2)c1C 8330613 UIWSROPYGPINQB-INIZCTEOSA-N 313.353 3.108 0 40 DGAB COc1cc(C)c(S(=O)(=O)NC2CCCC2)cc1C(C)C 8714909 IYOWBGMVJXNZMX-UHFFFAOYSA-N 311.447 3.348 0 40 DGAB c1ccn2cc(CSc3nnc(C4CC4)n3C3CC3)nc2c1 9610015 XDVZJACJMODGOD-UHFFFAOYSA-N 311.414 3.430 0 40 DGAB CCN1CCOc2ccc(NC(=O)C3CCCCC3)cc2C1=O 9828110 PKKAKYOPLLHCDK-UHFFFAOYSA-N 316.401 3.060 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1 10029582 VLEJRTRCSGUZOQ-ZDUSSCGKSA-N 311.337 3.073 0 40 DGAB Cc1nn(Cc2ccc(Br)cc2)c(C)c1C(=O)O 11920471 DKKUBSOXIWGMNZ-UHFFFAOYSA-N 309.163 3.009 0 40 DGAB CCC1=Nc2c(cnn2-c2ccc(Cl)cc2)C2=NCCCN12 12389369 PTTDHZBHVZNXBU-UHFFFAOYSA-N 313.792 3.432 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)o1 12420842 TVIZCJFXSRUZHU-CQSZACIVSA-N 312.325 3.014 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)cc1 12540506 LCMZMPIVVVIHNQ-NSHDSACASA-N 322.368 3.012 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccccc2F)cc1OC 12786231 WIGPCOQAKUSYIT-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB CCCCSc1nc(O)c(Cc2ccccc2F)c(=O)[nH]1 13957207 ZUXZRPREKVQMGS-UHFFFAOYSA-N 308.378 3.098 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)s1 14016794 ZODWFZDZTSKQRV-IWUOWKGWSA-N 303.387 3.469 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 15615239 UFQJTFQZAMTDCX-KRWDZBQOSA-N 311.381 3.255 0 40 DGAB O=C1[C@H]2Cc3ccccc3C[C@H]2C(=O)[C@@H]2Cc3ccccc3C[C@H]12 16919272 OXCCNBROJITSOU-FGYAAKKASA-N 316.400 3.201 0 40 DGAB biogenic COC(=O)C[C@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 16928472 JIRPRDQFJDGPNN-MRXNPFEDSA-N 318.394 3.073 0 40 DGAB CC(=O)c1csc(NC(=O)c2cc(C)nc3ccccc23)n1 18232989 CRQKFTNHOQMCSC-UHFFFAOYSA-N 311.366 3.455 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C)c1 20047340 XLGFSTFOEAGLGI-SFHVURJKSA-N 313.397 3.477 0 40 DGAB Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)c(C)c1 21368917 KACVVCYGMFFCIM-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cnc2ccccc2c1 23353351 LZRJOSSTYSUXDZ-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB Cc1cc(CN(C)C(=O)c2cnn(-c3ccccc3C)c2C)no1 25139058 LNSIFQRZCNCEOB-UHFFFAOYSA-N 324.384 3.058 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 30289286 NENSRSNIBIDXSX-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB Cc1nc(S[C@@H]2CCCCNC2=O)c2c(C)c(C)sc2n1 32871633 PJIAAHBDLSEXKH-LLVKDONJSA-N 321.471 3.377 0 40 DGAB O=C(O)CCCCCNC(=O)Cn1ccc2c(Cl)cccc21 36358190 NLTOJFMVAXQZLF-UHFFFAOYSA-N 322.792 3.056 0 40 DGAB Cc1csc(C(=O)N2CCC(c3nnc(C4CC4)o3)CC2)c1 38518820 XXLNXVOWQPCFIH-UHFFFAOYSA-N 317.414 3.337 0 40 DGAB O=C(NCCc1ccccc1)NCc1ncc(-c2ccccc2)o1 40119846 YPIKGPCNTWFFLC-UHFFFAOYSA-N 321.380 3.384 0 40 DGAB CCCN(CCC)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40526845 UJTMXRZFMARLLY-UHFFFAOYSA-N 303.406 3.233 0 40 DGAB C[C@@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1cccs1 40544252 XBNFMJVKBHLBCP-LLVKDONJSA-N 316.382 3.196 0 40 DGAB CCCc1noc(C2CCN(C(=O)c3ccc(C)s3)CC2)n1 41121873 PHWAFVPEVDGDCS-UHFFFAOYSA-N 319.430 3.412 0 40 DGAB NC(=O)Nc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 42620274 PTOOXXBTAPYRBA-UHFFFAOYSA-N 323.274 3.448 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)OCc1ccccc1 44667122 HXVFAYPGTPIPLG-MDWZMJQESA-N 321.376 3.335 0 40 DGAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1nc2ccccc2[nH]1 45560613 OXYOQACXWVATSR-NEPJUHHUSA-N 309.373 3.079 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)N[C@@H](C)c1nncn1C 46963807 SABMMPOJNKQBAN-LBPRGKRZSA-N 301.394 3.130 0 40 DGAB COc1ccc([C@@H](C)NC(=O)Nc2nccs2)cc1OC 47150053 BVZVIULTTVSAON-SECBINFHSA-N 307.375 3.043 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)CCCc2ccccc2)n1 48325921 RGATZYRWWHRINB-HNNXBMFYSA-N 313.445 3.275 0 40 DGAB CCOc1cccc(CNC(=O)c2cc(C)n(CC)c2C)c1 48376793 LDACUVOLADWQJV-UHFFFAOYSA-N 300.402 3.454 0 40 DGAB CCc1ccc(CNC(=O)CSCc2cccnc2)s1 48914344 BIEMSHSCAVUBOH-UHFFFAOYSA-N 306.456 3.255 0 40 DGAB COC(=O)c1csc(-c2cc(Br)cs2)n1 52378075 QXQMXUBQYZJKCP-UHFFFAOYSA-N 304.190 3.421 0 40 DGAB CC(C)CN1CCCN(c2ccc(C(F)(F)F)cn2)CC1 53906543 IMLGNMMLQROGEY-UHFFFAOYSA-N 301.356 3.269 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCOCC1)C1CCCC1 55450823 XJCFKJFAMGGGHV-UHFFFAOYSA-N 305.393 3.180 0 40 DGAB C[C@H](C(=O)Nc1ccccc1OCC(F)(F)F)n1ccnc1 56482438 PEVDDVAOLCJRFW-SNVBAGLBSA-N 313.279 3.024 0 40 DGAB O=c1c2ccccc2[nH]c(=S)n1CCCOC1CCCC1 57771439 JRFYSVUSTJOOPZ-UHFFFAOYSA-N 304.415 3.408 0 40 DGAB C[C@@H](NC(=O)CSc1ncc(-c2ccccc2)o1)C1CC1 58201248 WCRONFVYNVGMHC-LLVKDONJSA-N 302.399 3.348 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@@H](C)c1cc2ccccc2o1 58411933 OLUKSWYQUGIKDT-ZDUSSCGKSA-N 312.417 3.392 0 40 DGAB Cc1ccc(C[C@@H]2CCCN(C(=O)c3ccnc(C)n3)C2)cc1 65162455 MFWATJARLJVCBY-KRWDZBQOSA-N 309.413 3.188 0 40 DGAB CS[C@@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 65562229 JAEBYRYJJVUVJW-NSHDSACASA-N 318.446 3.255 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1 69322058 QFWSMBSHEDNIAI-JOYOIKCWSA-N 303.387 3.059 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCC2(CC1)OCCS2 70637230 IVRYGEPIBUQBEL-UHFFFAOYSA-N 303.383 3.129 0 40 DGAB O=C(c1cnccn1)N(Cc1cccs1)Cc1cccs1 71808974 ZJBUATZVNOIUMP-UHFFFAOYSA-N 315.423 3.442 0 40 DGAB CCC[C@@H](C)NC(=O)Nc1cccc(NC(=O)OCCOC)c1 71826633 FJNFJWUDYSEPJX-GFCCVEGCSA-N 323.393 3.192 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccc(Cl)cc1 71859174 JOPJIDWBRYYDLK-PRWKNARSSA-N 313.850 3.036 0 40 DGAB C[C@H]1CCCN(Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)C1 72394701 KNCLSRWZFJXARD-LSDHHAIUSA-N 312.461 3.262 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2ccc(Cl)c(C)c2)cc1 72414401 WJADXJLCQFNNPQ-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(-n2cccn2)cc1 75347081 KCXNXXPUZPOGRW-GXFFZTMASA-N 324.211 3.243 0 40 DGAB Cc1ncsc1CCN1CCC[C@@H](c2noc(C3CC3)n2)C1 78890824 WKXYJOLGFVBULF-CYBMUJFWSA-N 318.446 3.134 0 40 DGAB CCC(C)(C)NC(=O)Nc1cccc(Cn2nc(C)nc2C)c1 84334779 SGFUTYFNACEZJO-UHFFFAOYSA-N 315.421 3.253 0 40 DGAB Cc1cccc([C@@H](NC(=O)CN2CCCOC2=O)C(C)(C)C)c1 84617884 IPZGEHUPSFGVIO-MRXNPFEDSA-N 318.417 3.041 0 40 DGAB COc1ccccc1NC1CCN(C[C@@H]2CCCCO2)CC1 85905568 YCOYMRPMALTUJO-INIZCTEOSA-N 304.434 3.141 0 40 DGAB Cc1ccc(CNC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)s1 91606193 HVTCPYBQMIJAND-AWEZNQCLSA-N 318.446 3.443 0 40 DGAB Cc1c(C(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cnn1C 95427291 WECXMDCCMBOFPG-LPHOPBHVSA-N 309.413 3.270 0 40 DGAB c1cc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)cs1 96049471 QMVFBUGYJAMRGZ-GOSISDBHSA-N 320.502 3.073 0 40 DGAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccco3)C[C@H]12 96058438 NAGKLTBGSVUZON-PMACEKPBSA-N 324.424 3.044 0 40 DGAB Fc1ccccc1-c1nnc(COc2ccc3c(c2)OCO3)o1 96430421 AJWIRRNLAZYVLW-UHFFFAOYSA-N 314.272 3.183 0 40 DGAB Cc1occc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 96456479 PTJCSRVPVSQRNW-KRWDZBQOSA-N 313.397 3.452 0 40 DGAB Cc1cc([C@](C)(O)CNC(=O)C(C)(C)c2cccs2)c(C)o1 96459302 ZJDQOIJOYOJNHY-QGZVFWFLSA-N 321.442 3.259 0 40 DGAB CCc1nnc(CSc2ccc(Cl)c(C(=O)OC)c2)o1 96460991 GEEVYLPEXBIIBF-UHFFFAOYSA-N 312.778 3.364 0 40 DGAB C[C@H](NC[C@H](C)c1ccsc1)c1ccc(-n2cnnn2)cc1 96478874 KJYLUNXVMURLIJ-STQMWFEESA-N 313.430 3.178 0 40 DGAB Cc1nncn1-c1cccc(NC(=O)C2CCC(F)(F)CC2)c1 96487303 BFYARRSLHKOZRU-UHFFFAOYSA-N 320.343 3.340 0 40 DGAB CC[C@H](CSC)NC(=O)Nc1ccc(N2CCCC2)nc1C 96491522 PBFZJFRTJYGTQD-CYBMUJFWSA-N 322.478 3.253 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)Nc1cccc(C)c1 96713767 UPOHBFRNRXTLFU-UHFFFAOYSA-N 300.314 3.346 0 40 DGAB O=C(O)c1ccc(C(=O)NC2(c3nccs3)CCCC2)s1 97017775 VBQNXLHAXDCGNN-UHFFFAOYSA-N 322.411 3.102 0 40 DGAB Cc1ccccc1NC(=S)NC1C[C@@H]2CC[C@@H](C1)N2C1CC1 100422908 JOXUZUWMIXVXQJ-HOTGVXAUSA-N 315.486 3.439 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 121575331 DEKQULAMHDFDJQ-GOSISDBHSA-N 322.408 3.204 0 40 DGAB CC(C)(C)n1nccc1NC(=O)N[C@H]1CCCc2occc21 190594366 RKPHMVGIXLYOAR-LBPRGKRZSA-N 302.378 3.430 0 40 DGAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1c(C)cccc1Cl 192977876 QQZOKCQQGZPQEY-QWRGUYRKSA-N 312.797 3.358 0 40 DGAB Cc1cc(=O)n(Cc2nc(-c3c(F)cccc3F)cs2)cn1 195568341 HIMYLCNWVHDCGR-UHFFFAOYSA-N 319.336 3.002 0 40 DGAB CC(C)c1cc(Br)c2[nH]c(C(=O)O)cc(=O)c2c1 204427252 JFDVJASEZQCQIS-UHFFFAOYSA-N 310.147 3.112 0 40 DGAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc(O)c2)S1 222579261 VITZMJKQILECTF-RLCCDNCMSA-N 311.410 3.377 0 40 DGAB O=C(NCCCN1CCCCC1)C1(c2ccccc2)CCCC1 225349651 NFFDMWJQTSJVGH-UHFFFAOYSA-N 314.473 3.491 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1C 225743894 VSMSPHMQALLFPY-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)c(OC)c1 226273456 UZSAOMICOGAFSJ-NSHDSACASA-N 301.342 3.009 0 40 DGAB Cc1cc(NC(=O)c2ccccc2F)cc2sc(NN)nc12 226310118 GUZGOEXCTFMQDO-UHFFFAOYSA-N 316.361 3.282 0 40 DGAB O=C(CCCn1cc(-c2ccccc2)cn1)NCc1ccco1 227165303 WJLIVUZJPJNQHQ-UHFFFAOYSA-N 309.369 3.240 0 40 DGAB CC[C@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 245339393 SKRVCNNPZCPHOG-WFASDCNBSA-N 321.446 3.076 0 40 DGAB C[C@@H]1CCCN(C[C@@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253479980 UGAJKEUNTZQXSB-MUDKKEKZSA-N 309.494 3.311 0 40 DGAB O=C(NC1CC1)C(F)(F)Sc1ccc(Br)cc1 256053122 QCSLYAJAOIQTLT-UHFFFAOYSA-N 322.174 3.413 0 40 DGAB CC(C)Cc1cc(C(=O)N2CCC[C@H](c3nccs3)C2)on1 257291354 QGPIRXXBSIGLFN-LBPRGKRZSA-N 319.430 3.349 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](c3nc(C)cn3C)C2)c[nH]1 257306003 SSMKEJMZMCDPDK-OAHLLOKOSA-N 315.465 3.174 0 40 DGAB CCCCc1nc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)c[nH]1 257309367 UAQYGNRWXQMOLS-AWEZNQCLSA-N 301.438 3.163 0 40 DGAB c1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccoc4)C[C@H]2C3)cc1 306133950 NAFLIOPQGUPNNO-MSOLQXFVSA-N 319.408 3.447 0 40 DGAB Cc1onc(C2CC2)c1C(=O)N1Cc2ccccc2OC[C@H]1C 560657250 JEMNVJWGRAVJTK-LLVKDONJSA-N 312.369 3.284 0 40 DGAB C/C(=C\c1ccccc1)CN1CCC([C@@H]2NC(=O)C2(C)C)CC1 563429285 UZJFYQDXGAPVFD-DUVHGLKDSA-N 312.457 3.327 0 40 DGAB COC(=O)CCCC(=O)c1ccc(OC(F)(F)F)c(F)c1 575360379 DXQNMOUZBLKAOU-UHFFFAOYSA-N 308.227 3.250 0 40 DGAB c1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)cc1 585103495 XJUONBFSHDDQRY-SFHVURJKSA-N 301.430 3.094 0 40 DGAB Nc1ncccc1CSc1ncnc2sc3c(c12)CCC3 585119103 QWBGNFPRGYQVCK-UHFFFAOYSA-N 314.439 3.450 0 40 DGAB C[C@H](C1CC1)n1cc(NC(=O)N2CCC(F)(F)[C@H](C)C2)cn1 685543167 FVOMOVPSZSGNKR-GHMZBOCLSA-N 312.364 3.363 0 40 DGAB CC(C)Oc1nc2ccc(Br)cc2cc1C(=O)O 685936867 DGKISKSSTOBVGZ-UHFFFAOYSA-N 310.147 3.483 0 40 DGAB O=C(N[C@@H]1CCN(Cc2ccsc2)C1)c1ccc(F)c(F)c1 1014725459 OFFHCENUTJJEOM-CYBMUJFWSA-N 322.380 3.031 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(c3ccnc(C4CC4)n3)C2)n1 1888849719 UZQWKBWPCRIZAG-HNNXBMFYSA-N 324.428 3.353 0 40 DGAB Cc1ccccc1NC(=O)N1CC[C@H]2CN(c3ccccn3)C[C@@H]21 1889145825 VTGZQUVQCXIJNV-RDJZCZTQSA-N 322.412 3.133 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCCCCC1 36874451 ZACSJIYXURIWPF-GOSISDBHSA-N 312.413 3.353 0 40 DGAB CCOC(=O)Cc1csc(=S)n1-c1ccc(OC)cc1 557300 MQRSDGHRGIMMAG-UHFFFAOYSA-N 309.412 3.382 0 40 DGAB CCCCC[C@@H](C)NC(=O)c1sc2ncn(C)c(=O)c2c1C 29472445 QLDZOZNHDQDPKK-SNVBAGLBSA-N 321.446 3.002 0 40 DGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccc(F)cc1 69442714 XNBMKEOYSMTTLL-ZDUSSCGKSA-N 321.417 3.422 0 40 DGAB Cc1[nH]ncc1C(=O)N[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 69485685 OBYVMKNUSVVALZ-GXFFZTMASA-N 309.291 3.023 0 40 DGAB CCCN1[C@H]2CCC[C@H]1CC(NC(=O)c1ccc(OC)cc1)C2 1369920 WVBLWCCUEQTIIH-IRXDYDNUSA-N 316.445 3.221 0 40 DGAB COc1cc(OC)c(C(=O)Nc2ccc(C)cc2)cc1OC 365238 NOOBQVLYNDLOGU-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3O2)ccc1OC(C)C 4997918 ZNYOQJDDHBAHQR-SFHVURJKSA-N 313.353 3.303 0 40 DGAB Nn1c(SCc2ccccc2)nnc1-c1ccc(F)cc1 481673 HDXDGLKKJBXVIN-UHFFFAOYSA-N 300.362 3.090 0 40 DGAB CCOc1ccc(CNn2c(CC)n[nH]c2=S)cc1OCC 8339166 XHYWRCBDUXOOAR-UHFFFAOYSA-N 322.434 3.044 0 40 DGAB COC(=O)C1(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)CCCCC1 32900523 GBBWBXJJTRJKLW-ZIAGYGMSSA-N 307.434 3.217 0 40 DGAB O=C(N1CCC2(CC1)CC2)C1(c2cccc(F)c2)CCOCC1 69701723 LPOUVHXHJSDRMB-UHFFFAOYSA-N 317.404 3.277 0 40 DGAB Cc1cc2nnc(SCC(=O)c3ccc(C)s3)n2c(C)n1 33032592 FPUCBEWHBHWSQP-UHFFFAOYSA-N 318.427 3.086 0 40 DGAB Cc1nc(-c2cccc(S(=O)(=O)N3CCCCC3)c2)cs1 540592 JTPNKZSGWYQBIE-UHFFFAOYSA-N 322.455 3.293 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@@H]1C(=O)Nc2ccccc21 103276395 OLSRFCGVXRZSFQ-DOMZBBRYSA-N 306.365 3.090 0 40 DGAB O=c1cc(CN2CCC[C@H]2C2CCCCC2)nc2sccn12 53211315 UWNGVNFPRYCMLF-HNNXBMFYSA-N 317.458 3.301 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)cc1)OCCO2 781954 LYMQXPZOSBGBAU-UHFFFAOYSA-N 311.337 3.221 0 40 DGAB CCOc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 101275145 KVPRKSRXJANQBJ-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB CCN(CC)CCNC(=O)[C@@H](C)Oc1cccc2ccccc12 27974642 DNYXZVVLHIFFEE-OAHLLOKOSA-N 314.429 3.065 0 40 DGAB COCc1ccccc1CNC(=O)Nc1ccc(OC)cc1 24740943 QJIUUWPAZYGFPX-UHFFFAOYSA-N 300.358 3.163 0 40 DGAB Cc1cn2c(CC(=O)Nc3ccc(F)c(F)c3)csc2n1 24993608 ZKRJCEQRZQJAJM-UHFFFAOYSA-N 307.325 3.164 0 40 DGAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccccc2F)CCC1 102744065 JYNWOVZIBPUFDS-ZDUSSCGKSA-N 300.293 3.444 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)[C@H](C)c2ccccc2)s1 25616978 TVKGSBLMKYBIDF-LLVKDONJSA-N 303.383 3.368 0 40 DGAB O=C(NCc1ccccn1)N1CCC[C@@H]1CCc1ccccc1 56780138 NRKJGKCRBFJPPI-GOSISDBHSA-N 309.413 3.388 0 40 DGAB CC(C)c1nc2cc(NC(=O)N[C@@H]3C[C@H]4CC[C@H]3O4)ccc2o1 110680990 VNUAXNSATMKTCW-MRVWCRGKSA-N 315.373 3.393 0 40 DGAB COc1cc(OC)c(NC(=O)N2C[C@@H]3CCC[C@H]32)cc1Cl 76089453 YBQRLYXBKCVWDY-JOYOIKCWSA-N 310.781 3.373 0 40 DGAB CC(C)C[C@@H]1CCCCCN1Cc1cc(=O)n2ccccc2n1 77364751 KSPMUCBJYJRMQI-KRWDZBQOSA-N 313.445 3.485 0 40 DGAB C[C@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)(C)O 58183209 HHBNZAMCTGLRAE-LBPRGKRZSA-N 308.385 3.263 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)COC(C)C)c1nc2ccccc2[nH]1 58245434 HPHMKNZBEMPYIM-MLGOLLRUSA-N 303.406 3.191 0 40 DGAB CC(C)C(=O)NC(=S)/C=C1/N(C)c2ccccc2C1(C)C 3312743 VRHNANJHHIYHQJ-GXDHUFHOSA-N 302.443 3.398 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1c1ccsc1 48323415 VNVQWQHUGPSOTE-OAHLLOKOSA-N 324.409 3.306 0 40 DGAB CCc1ccc(C(=O)NCCc2ccc(OC)c(OC)c2)cc1 12925791 KCFGYMHWXSQJPM-UHFFFAOYSA-N 313.397 3.239 0 40 DGAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 12902868 VDGDNVFDBXYTJP-LBPRGKRZSA-N 305.374 3.356 0 40 DGAB Cc1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cc1F 13389973 GFKDJKUYDJIMMI-GFCCVEGCSA-N 307.346 3.141 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCCc3ccccc32)C1 69870792 OXNRGLFULYVZMK-HKUYNNGSSA-N 323.440 3.475 0 40 DGAB CCCCCN(C(C)=O)[C@@H](C)c1nc2ccccc2c(=O)[nH]1 4025592 SXINUBRNIDBXOZ-LBPRGKRZSA-N 301.390 3.023 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)NC2CCCCCC2)c1 8714877 IWEXUIVYHIVGBE-UHFFFAOYSA-N 311.447 3.259 0 40 DGAB O=C(Nc1ccc(Sc2nncs2)cc1)c1ccncc1 65542955 GEJOTGJWVVWBAM-UHFFFAOYSA-N 314.395 3.337 0 40 DGAB O=C(Cc1csc(-c2ccc(F)cc2)n1)NCc1ccco1 14186006 PYWHDFCDJAZILZ-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB COc1ccc2[nH]cc(C(=O)CN3CCCC(C)(C)C3)c2c1 4863128 RBXFMMUEXDBWDD-UHFFFAOYSA-N 300.402 3.481 0 40 DGAB COc1ccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)cc1 19359698 ZTAZSXIAIPIZNM-QGZVFWFLSA-N 300.446 3.169 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H](C)CC)c2ccccc12 9062039 NYLQLLMSOZXSSO-GFCCVEGCSA-N 307.415 3.315 0 40 DGAB CCCc1cc(C(=O)NCc2c(C)cc(C)[nH]c2=O)sc1C 7118418 CAGYZFGETDVJTM-UHFFFAOYSA-N 318.442 3.244 0 40 DGAB O=C(Nc1cccc(Cl)c1F)[C@@H]1COc2ccccc2O1 7407831 RVNFXGRTFWZDEL-ZDUSSCGKSA-N 307.708 3.258 0 40 DGAB Cc1ncc([C@H](C)NC[C@]2(O)CCCc3ccccc32)s1 90409031 NMUZASMSHDVDLU-YVEFUNNKSA-N 302.443 3.326 0 40 DGAB COc1ccc(CNC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 8060844 SMBUBGXZLONHEX-UHFFFAOYSA-N 321.380 3.185 0 40 DGAB O=C(Cn1nnnc1-c1ccc(Cl)cc1)c1ccc(F)cc1 8297434 FRLCYWRAMTUPPV-UHFFFAOYSA-N 316.723 3.016 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccsc2)c1 9451499 RBCJMYDYTOHETD-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccco1 96480551 FTYZQURNGCCSRG-INIZCTEOSA-N 323.348 3.106 0 40 DGAB CC[C@H]1CCCN(C(=O)c2ccc(-n3cncn3)c(F)c2)CC1 78878324 OADVLDCKFXRRQP-ZDUSSCGKSA-N 316.380 3.059 0 40 DGAB CC(=O)N[C@H](C)C(=O)Nc1cccc(Sc2ccccc2)c1 71888126 RSSNJQIEPODHLA-GFCCVEGCSA-N 314.410 3.301 0 40 DGAB O=C1CCc2cc(-c3csc(-c4cnccn4)n3)ccc2N1 71971853 UVPCDZOGWCGKET-UHFFFAOYSA-N 308.366 3.152 0 40 DGAB Brc1cccc(NCCNCc2cscn2)c1 97048131 LOTQUBGRRYTNRG-UHFFFAOYSA-N 312.236 3.107 0 40 DGAB C[C@H](NC(=O)N[C@H](c1ccccc1)C1CCCC1)c1nc[nH]n1 97049221 RAJKCLHKEBMCMQ-SWLSCSKDSA-N 313.405 3.096 0 40 DGAB Fc1ccccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 72299855 XYDAQHZKTBIMSZ-AWEZNQCLSA-N 301.365 3.466 0 40 DGAB CN(C)[C@H](CNC(=O)NCCC1CCCC1)c1ccccc1 97337208 JLQAYIKDZJDZIO-QGZVFWFLSA-N 303.450 3.169 0 40 DGAB O=C(CCc1cccs1)N1CCC[C@@H]1c1noc(C2CC2)n1 84442210 BVKLZMCKJJGSCF-CYBMUJFWSA-N 317.414 3.305 0 40 DGAB CC(C)(CCCO)CNCc1cnn(-c2ccc(Cl)cc2)c1 95459069 QCVWZNKCHFTQIQ-UHFFFAOYSA-N 321.852 3.414 0 40 DGAB O=C(CSc1ccccc1O)N1CCC[C@@H](C(F)(F)F)C1 95406443 SLMCFIWFNYSOAK-SNVBAGLBSA-N 319.348 3.285 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc(C(=O)O)s2)s1 95424363 JXQJYEKCZKCSHV-MRVPVSSYSA-N 324.427 3.353 0 40 DGAB C[C@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccs1 95416751 VCNKPJSXSOWMBC-JSGCOSHPSA-N 317.414 3.067 0 40 DGAB c1ccc(-n2cc(CNc3cccc(-c4nc[nH]n4)c3)cn2)cc1 95431149 KITHPWHBUXOJBB-UHFFFAOYSA-N 316.368 3.270 0 40 DGAB C[C@@H](NCCc1ccccn1)c1c(Cl)nc2sccn12 95427051 MTCOJAPGGCVFMU-SNVBAGLBSA-N 306.822 3.338 0 40 DGAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@H](c1nccs1)C1CC1 74708761 JEKRBLZONAGXEB-FZMZJTMJSA-N 316.430 3.392 0 40 DGAB O=C(CCc1ccncc1)Nc1cc(C(F)(F)F)ccc1O 75092497 AKFMTTQAJUUJFW-UHFFFAOYSA-N 310.275 3.377 0 40 DGAB C[C@H](OC(=O)c1ccncc1F)c1nnc(-c2ccccc2)o1 75145973 RXZYVQNZGFJJLD-JTQLQIEISA-N 313.288 3.189 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccccc2)c1C 28573425 IOEJHMCIOPLYLH-IAGOWNOFSA-N 311.429 3.282 0 40 DGAB COc1ccc(/C=C2\CCCC(C3=NCCN3)=C2O)cc1OC 62716105 FYBDTGJCCUQCFJ-JLHYYAGUSA-N 314.385 3.085 0 40 DGAB COc1cccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)c1 72229551 CLBRTOFCSHVRIN-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccnc2C)cc1 72211301 CDOSHTVYIZARMD-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB Clc1cccnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 480573777 HEDXHTDFGVQVBM-IYBDPMFKSA-N 313.832 3.303 0 40 DGAB Cc1cc(C)cc(C2=CCN(Cc3nc(C(=O)O)co3)CC2)c1 566362341 SHMRHUFKLZOKBQ-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(F)cc1C 74928114 RYQZSNZJCDZHOR-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1ccccc1C(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F 70636346 KRFQXMDDSLRNLW-MRXNPFEDSA-N 323.314 3.175 0 40 DGAB Cc1nc(C(=O)N2CCS[C@H](c3ccco3)CC2)cs1 219367645 KJSTYYMRJRLCOD-ZDUSSCGKSA-N 308.428 3.365 0 40 DGAB CCCCNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184765 AVLAFNUDNUJVFT-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB Clc1ccc(OCc2noc(-c3cnccn3)n2)c(Cl)c1 78774004 VTISITQQOSSFKF-UHFFFAOYSA-N 323.139 3.412 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C 222710455 BMJRVGALURDBFL-HNNXBMFYSA-N 318.461 3.427 0 40 DGAB C[C@](NC(=O)OCc1ccccc1)(C(=O)O)C1CCCCC1 223536624 QMGYRRZFIYMWAX-QGZVFWFLSA-N 305.374 3.336 0 40 DGAB CSc1ccc([C@H]2SCC(=O)Nc3[nH]nc(C)c32)cc1 44919197 TZLHOIFOQCKGHS-CYBMUJFWSA-N 305.428 3.215 0 40 DGAB CC(C)c1nnc(NC(=O)[C@H](C)Sc2ccccn2)s1 84970326 IUXBVGJYRVEOAB-VIFPVBQESA-N 308.432 3.176 0 40 DGAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1c(C)cccc1Cl 192977884 QQZOKCQQGZPQEY-MNOVXSKESA-N 312.797 3.358 0 40 DGAB Cc1c(NC(=O)[C@H](C)O[C@@H]2CCC[C@@H](C)C2)cccc1C(N)=O 195530351 LAEHPRCIADXUNY-KWCYVHTRSA-N 318.417 3.016 0 40 DGAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@H](c3ccccc3)CO2)C1 96073470 YGACIMYGOSVJPC-PXNSSMCTSA-N 324.424 3.204 0 40 DGAB COCCCCC(=O)Nc1ccc(F)c(Br)c1 96432196 CFQKQBQZPHTIAD-UHFFFAOYSA-N 304.159 3.343 0 40 DGAB CCOCCO[C@@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 96414181 ULGBACNGWVHOEG-HOTGVXAUSA-N 323.433 3.473 0 40 DGAB CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 245338768 OLMKBFCEYDUCLB-CSYIPPMGSA-N 303.377 3.111 0 40 DGAB CC(=O)Nc1ccc(CN2CCCC[C@H]2c2ccncn2)cc1 257215169 CPAROEIONSDMKI-SFHVURJKSA-N 310.401 3.162 0 40 DGAB CC1(C)CN(C(=O)NCc2cc3ccccc3s2)CC[C@@H]1O 287619109 UADKESQAJZHJMC-HNNXBMFYSA-N 318.442 3.204 0 40 DGAB CO[C@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccsc1 96103329 ZNVSOSQVOKSCGN-CQSZACIVSA-N 318.354 3.114 0 40 DGAB O=C(O)[C@H](c1ccccc1Cl)N1Cc2ccccc2C1=O 575442343 BKYRVETWKLBGPD-AWEZNQCLSA-N 301.729 3.122 0 40 DGAB CC(C)c1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1 42252311 DJYLFJJSCFIGDM-UHFFFAOYSA-N 320.824 3.169 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2-n2cccn2)s1 58311838 HBGDGVNWDMRDQW-UHFFFAOYSA-N 311.410 3.101 0 40 DGAB Cc1cc([C@H](C)NC(=O)c2ccc(Cn3cncn3)cc2)c(C)o1 58289898 QYVYUXVMXYAZSP-ZDUSSCGKSA-N 324.384 3.027 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1ccc[nH]1 71818699 POQRBXWKTOGOLB-LBPRGKRZSA-N 309.291 3.406 0 40 DGAB CC(C)(C)c1nnc(N2CCN(c3ccccc3)CC2)s1 301640607 GJZUVNSHOOUNMP-UHFFFAOYSA-N 302.447 3.162 0 40 DGAB CCOC(=O)C(C/C=C/c1ccc(F)cc1F)C(=O)OCC 1570003461 AYUMNQDFUWJYDS-AATRIKPKSA-N 312.312 3.111 0 40 DGAB CC(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3 5726089 NDVAKKKOLDCGBI-UHFFFAOYSA-N 306.745 3.293 0 40 DGAB O=c1[nH]c(-c2ccccc2)nc2c1CN(C1CCCCC1)CC2 13564780 HJRIRVLTSHQSEL-UHFFFAOYSA-N 309.413 3.128 0 40 DGAB O=S(=O)(Cc1ccc(Br)cc1)c1ccccc1 19821820 IYYBPFPURCUQAC-UHFFFAOYSA-N 311.200 3.423 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1ccc(F)cc1C)c1ccccc1 6507694 KVPHZWXCRNVEDS-QGZVFWFLSA-N 314.360 3.340 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2csc(C)n2)c1 1889077118 CTMFYAFGXAZLDO-XYPWUTKMSA-N 302.447 3.325 0 40 DGAB Cc1nnc(NC(=O)Cc2nc(-c3cccs3)oc2C)s1 23626423 BTAFNXJNDGNGMG-UHFFFAOYSA-N 320.399 3.053 0 40 DGAB COc1ccccc1CCC(=O)N1CCC[C@H]1c1cc(C)on1 29236379 XOHLNCWOAXCQQM-INIZCTEOSA-N 314.385 3.288 0 40 DGAB COc1ccc(-c2ccc(=O)n(Cc3ccccc3C)n2)cc1 5388924 GBXYONRBLCDHOB-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB CSC[C@@](C)(O)CNC(=O)c1ccc(-c2ccsc2)cc1 225621421 XLHQWKVNCTYUPY-INIZCTEOSA-N 321.467 3.259 0 40 DGAB Cc1cccc(NC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 40007569 ZFSOLCOWABEPIQ-NSHDSACASA-N 311.341 3.358 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)Nc1nncs1 40119121 KOGGMQWGDQKSSF-JTQLQIEISA-N 306.391 3.275 0 40 DGAB CC1CCC(NC(=O)Nc2cccc(-c3nnco3)c2)CC1 40526933 FMRUAWCPBOEYCI-UHFFFAOYSA-N 300.362 3.437 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(S[C@@H](C)C(=O)O)c23)C1 84873 FXFLKQRNKXZSGQ-YUMQZZPRSA-N 308.428 3.381 0 40 DGAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1 378684 KFXVPUDBCLRSOA-QGZVFWFLSA-N 322.364 3.229 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)CCc3ccsc3)cc2NC1=O 32772911 DSKGVXKSFFBYPX-SNVBAGLBSA-N 316.382 3.039 0 40 DGAB C[C@@H](Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O 6442668 DSSCQSMLZSNTGR-LLVKDONJSA-N 310.305 3.312 0 40 DGAB COc1ccc(C)cc1CSc1nnnn1-c1ccccc1 7745212 OGSVUYUEZUVULN-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1 8097818 SNSLOIRFICDXTN-UHFFFAOYSA-N 317.316 3.263 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2cc(C(C)=O)c[nH]2)cc1 21624474 PZOIXULADSYGNG-KRWDZBQOSA-N 312.369 3.203 0 40 DGAB COc1c(Br)cc(C(C)C)cc1C(=O)N(C)C 57339333 UCVSTSMMJAYNNV-UHFFFAOYSA-N 300.196 3.283 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1cccc(C(F)(F)F)c1 102701470 VYVIGLNTLFJCNV-BETUJISGSA-N 309.287 3.157 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2F)C1=O 101276391 WKISMEPNHQOHFT-HNNXBMFYSA-N 312.344 3.132 0 40 DGAB COc1ccccc1[C@H](NCc1cccs1)c1nccn1C 42205076 GZKRDFTYUJOLHO-INIZCTEOSA-N 313.426 3.369 0 40 DGAB Cn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cn1 23039314 JIGNVCGCJWOMLC-CYBMUJFWSA-N 312.398 3.007 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccccc1F 20137713 LIAPFACZGWVNNB-UHFFFAOYSA-N 323.707 3.438 0 40 DGAB O=C(NCCOc1ccc2ccccc2c1)Nc1nccs1 42754539 FHNPQDNHVWDJIQ-UHFFFAOYSA-N 313.382 3.497 0 40 DGAB O=c1[nH]c(-c2ncccn2)nc2scc(-c3cccs3)c12 54751799 RHBRJOZSHOKZFZ-UHFFFAOYSA-N 312.379 3.170 0 40 DGAB O=C(CSc1nncs1)N1CCCSc2ccccc21 55010465 UJUKJIINXMLNQO-UHFFFAOYSA-N 323.468 3.159 0 40 DGAB O=C(c1ccc(Cl)cc1Cl)N1[C@H]2CCC[C@H]1COC2 101328566 JJQNSHDZYIRDOH-QWRGUYRKSA-N 300.185 3.387 0 40 DGAB COC[C@H](C)NC(=O)CNc1ccccc1Oc1ccccc1 25604427 IVENTORIIZNSQF-AWEZNQCLSA-N 314.385 3.042 0 40 DGAB CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C)C(=O)OC(C)(C)C 100772134 VTLNVTXLJIHLIB-JCGVRSQUSA-N 324.465 3.184 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1ccoc1C 21597935 OYSXJWCXEXJPTD-LLVKDONJSA-N 300.358 3.369 0 40 DGAB C[C@H](NCCNC(=O)c1ccccc1)c1ccccc1Cl 78806481 GRZREEYLUNVUHL-ZDUSSCGKSA-N 302.805 3.421 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(CN)cc1 37811724 RATNHEGMJNMKBH-HNNXBMFYSA-N 300.427 3.356 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCSc2ccccc21 58416317 FKHBKFJUKFBLIH-OAHLLOKOSA-N 316.474 3.121 0 40 DGAB Cc1ccc2c(CN(C[C@H](C)O)c3ccccc3)cc(=O)oc2c1 58425676 HNWJOOZPQORIEH-HNNXBMFYSA-N 323.392 3.489 0 40 DGAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCc2sccc2C1 10924303 SFLFKHUEWCCCDY-CQSZACIVSA-N 319.813 3.290 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1sccc1C)OCO2 3422463 YUBJAVZYXYSVJJ-UHFFFAOYSA-N 303.339 3.240 0 40 DGAB O=C1CCCN1c1cccc(CNCc2cc(F)ccc2F)c1 48712644 MOINONWISSCKFX-UHFFFAOYSA-N 316.351 3.381 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccnc1)CCC2)C1CC1 19819139 JHFHUUSFUJCGHC-UHFFFAOYSA-N 321.380 3.023 0 40 DGAB O=C(c1cnc2ccccc2n1)N1CC[C@H](c2ccccc2)C1 38567069 FSRRSRQZGWEUBH-HNNXBMFYSA-N 303.365 3.260 0 40 DGAB O=C(c1n[nH]c2c1CCCC2)N1CCC(Cc2ccccc2)CC1 8738250 KPCJDYOUJBOKCB-UHFFFAOYSA-N 323.440 3.383 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)cn1 64458311 BKYUHIDLEGMDHN-KBPBESRZSA-N 313.401 3.165 0 40 DGAB COc1cccc(NC(=O)CCc2nc(-c3ccccc3)no2)c1 4384072 QELRQEZDKBURNE-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1ccsc1/C=C1\NC(=S)N(c2ccccc2)C1=O 4673183 KSKNANMBXPZWTL-XFXZXTDPSA-N 300.408 3.319 0 40 DGAB COc1cccc(OC)c1OC[C@@H](C)CNCc1ccco1 4833510 JBVSJKDSDONGIE-ZDUSSCGKSA-N 305.374 3.102 0 40 DGAB O=C(CN1CCc2ccccc21)N[C@@H]1CCCc2ccccc21 7600912 FBRLNICAGXHDQG-GOSISDBHSA-N 306.409 3.243 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)c1 16281635 CPVZYEIQDSOJBJ-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)CCC3CCCC3)cc2NC1=O 8014202 YSLJVRTWUXAKSC-LLVKDONJSA-N 302.374 3.315 0 40 DGAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1ccncc1 69457566 YZZLUJQHPKGYNY-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB CN(Cc1cccc(OC(F)F)c1)C(=O)CCc1ccncc1 71847406 HBUAMAKAXNEHHV-UHFFFAOYSA-N 320.339 3.274 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](n2cccn2)C1 71924407 ZCERBPRANJAIAX-AWEZNQCLSA-N 308.385 3.150 0 40 DGAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@@H]1CCCO1 71900194 NNRPCDWPJMVXPJ-SFHVURJKSA-N 310.397 3.098 0 40 DGAB CC[C@@H]1C[C@@H]1NC(=O)c1cccnc1SCc1cc(C)on1 71908209 TVMJEJDAKVXRSH-RISCZKNCSA-N 317.414 3.199 0 40 DGAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1Nc1cccc(Oc2cnccn2)c1 97037312 RUEKHWQGCSDBRM-CPUCHLNUSA-N 312.417 3.410 0 40 DGAB CC(C)=CCN1CCC(NC(=O)c2ccc(O)c(Cl)c2)CC1 95393148 UIQBFXATDJNDBM-UHFFFAOYSA-N 322.836 3.206 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)Nn1cnc2ccccc21 84718222 XZONKQZGORGZFH-NSHDSACASA-N 312.398 3.381 0 40 DGAB COCCOc1ncccc1CN[C@H]1CCCc2ccccc21 95420364 JZXATAQZQKWYIP-SFHVURJKSA-N 312.413 3.274 0 40 DGAB Cc1ccccc1/C=C/c1nc(SCCn2ccnc2)n[nH]1 95446248 CNUWUSFYVASBPE-VOTSOKGWSA-N 311.414 3.272 0 40 DGAB C[C@H](CCCO)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95995576 VPUGUCSEJGHPDY-TZMCWYRMSA-N 316.367 3.035 0 40 DGAB CC(=O)c1csc(C(=O)N[C@@H](C)CC(=O)c2cccs2)c1 95979617 OEFAKIGSXVTBAI-VIFPVBQESA-N 321.423 3.404 0 40 DGAB COc1ccc([C@@H](C)NCC[S@](=O)C(C)(C)C)cc1F 95968114 PMYRZIPWMLDMFS-BIBXISHDSA-N 301.427 3.032 0 40 DGAB COc1cccc([C@H]2NC(=O)c3ccccc3N2)c1OC(C)C 9913923 KRJNUYRXTQVOCW-QGZVFWFLSA-N 312.369 3.337 0 40 DGAB COc1ccc([C@H](C)NCCc2nc(C(C)C)no2)cc1F 89578805 LEAUQPSZLNROLL-NSHDSACASA-N 307.369 3.234 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N1CCOc2cccc(F)c21 89857605 OGRGMSQHHMBHNO-UHFFFAOYSA-N 323.327 3.051 0 40 DGAB Cc1cccc(NC(=O)c2nn(C)c(C)c2Br)c1C 28304197 OVZVYQRYWXNMBY-UHFFFAOYSA-N 322.206 3.360 0 40 DGAB COCCNC(=S)c1ccc(OCc2ccc(F)cc2)cc1 408578353 XSMASTZUOQAJHH-UHFFFAOYSA-N 319.401 3.316 0 40 DGAB Cc1ccc(C(=O)Nc2nnc(-c3cccnc3)s2)cc1C 32502341 GNAOZTTWXNOTOZ-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB Cc1cscc1NC(=O)N1CCC(Cn2cccn2)CC1 124550815 DZDWBYFVBKLWRZ-UHFFFAOYSA-N 304.419 3.197 0 40 DGAB O=C(O)CCSc1ccc2c(c1)CCC(=O)N2CC1CCC1 218813583 AZKIFNYOIUAZHB-UHFFFAOYSA-N 319.426 3.333 0 40 DGAB Fc1ccc(Cl)c(CN2CCOCC3(CCOCC3)C2)c1 189434588 HFKMPNBPIABVCA-UHFFFAOYSA-N 313.800 3.108 0 40 DGAB COC(=O)c1coc(C(=O)Nc2ccc(F)cc2NC(C)C)c1 183701633 CBBULNDRSYRHJS-UHFFFAOYSA-N 320.320 3.278 0 40 DGAB CS(=O)(=O)[C@@H]1CCC[C@@H](Nc2ccc3ccc(F)cc3n2)C1 78301223 KIQOUZBBJCWVOC-ZIAGYGMSSA-N 322.405 3.142 0 40 DGAB COc1ccccc1N1CCN(Cc2sc(C)nc2C)CC1 172728785 FDPDRELFIWZRSP-UHFFFAOYSA-N 317.458 3.091 0 40 DGAB CCN1CCN(C(=O)[C@@H](C)Oc2cc(C)ccc2C(C)C)CC1 224581121 YKMFWMIDBMQYLG-MRXNPFEDSA-N 318.461 3.050 0 40 DGAB Cn1c(SCCCCC2CCOCC2)nnc1C(F)F 225572283 KFFKSNHBGZSKHW-UHFFFAOYSA-N 305.394 3.442 0 40 DGAB COc1cccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225099425 QXYXTHRYDRRWQG-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB OC[C@H](Cc1ccc(O)cc1)N[C@H]1CCC[C@H](C(F)(F)F)C1 190515845 HOWLDFUQVVQJOQ-IHRRRGAJSA-N 317.351 3.006 0 40 DGAB C[C@@H](NC(=O)c1cnc2n1CCCC2)c1ccc(Cl)cc1 570258557 PTZGWNNULMLBAL-LLVKDONJSA-N 303.793 3.364 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@H](O)C1CC1 77107808 ZBUKIMYWPXEBCN-FQEVSTJZSA-N 323.436 3.486 0 40 DGAB COc1ccc(C[C@@H](Oc2cccc(C)c2)C(=O)O)c(OC)c1 225111664 LMJSDRFLGZSYLE-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB COCCSCc1cccc(NC(=O)N[C@H](C)C2CC2)c1 95398085 ZUWBWBXJYSVRCI-GFCCVEGCSA-N 308.447 3.486 0 40 DGAB C[C@H](Sc1ccccc1S(C)(=O)=O)c1nc(C2CC2)no1 96410909 RABMZIBUKLFMST-VIFPVBQESA-N 324.427 3.204 0 40 DGAB C[C@@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C(N)=O)cc1 96456815 MTAGOELAQZZPDT-XIKOKIGWSA-N 312.388 3.338 0 40 DGAB C[C@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)C1 96192909 AHFDAQIRFYYSBW-YVEFUNNKSA-N 320.820 3.482 0 40 DGAB Cc1nnc(COC(=O)c2ccc(Cl)c(F)c2)n1C1CC1 97230667 PQJCGQNKISCNIH-UHFFFAOYSA-N 309.728 3.071 0 40 DGAB CC(C)Oc1ccc(-c2csc(CS(C)(=O)=O)n2)cc1 96417548 ZMBCPZJMRGLKGX-UHFFFAOYSA-N 311.428 3.142 0 40 DGAB CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C 96492736 IYBDTAGGJRWYEV-KGLIPLIRSA-N 323.437 3.342 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NC(=O)c1ccsc1 96454779 NQHYDDIJERSGFP-UHFFFAOYSA-N 318.398 3.101 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)Nc1ccn(C)n1 257173629 STKAHBBSPHUIJL-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB C[C@H](C(=O)N1CCC(O)(c2cccc3cnccc23)CC1)C1CC1 585088330 WBKAVBDMEIRBNV-AWEZNQCLSA-N 324.424 3.091 0 40 DGAB COc1ccc(/C=C\C(N)=O)cc1OCc1ccccc1Cl 361634189 PQPPZYOEUQWKDL-CLFYSBASSA-N 317.772 3.426 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3cccs3)C[C@H]21 585110027 WAXZWJVSGRHINM-YPMHNXCESA-N 313.426 3.073 0 40 DGAB CS[C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 56132562 IMJTUCGQUVUBLH-WFASDCNBSA-N 317.458 3.378 0 40 DGAB Cc1cc(C)n(CC(=O)Nc2c(C)cccc2OC(F)F)n1 69571010 UGCFTBKUVDNIPL-UHFFFAOYSA-N 309.316 3.048 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@@H]3C=CCC3)C2)no1 72232173 YFKBEIPESHYBFA-KGLIPLIRSA-N 303.406 3.255 0 40 DGAB CC[C@H]1N(C(=O)OCc2ccccc2)CCC[C@@]12CCCN2 91303095 JRDBKLGLOKKWDZ-AEFFLSMTSA-N 302.418 3.320 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1 11636842 LIHLTQZIHUSWHU-QGZVFWFLSA-N 315.369 3.500 0 40 DGAB CC(C)(C)NC(=S)NC(=O)C12CC3C[C@H](CC[C@H](C3)C1)C2 12437144 RZAGPTGGVIINCF-JPZVUWATSA-N 308.491 3.382 0 40 DGAB Fc1ccccc1N1CCN(c2ncnc3ccccc23)CC1 12542375 MFXYYYKMSHAZOX-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc(C(=O)O)cc2C)cc1 13391067 VKMBMWKMQXQGCX-BJMVGYQFSA-N 311.337 3.354 0 40 DGAB COc1cccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1 19120575 CEWUTPZQPYQJOG-MAUKXSAKSA-N 300.402 3.493 0 40 DGAB CCC(=O)N(C[C@@H]1CCCO1)c1nc2c(OC)cccc2s1 10874355 JUXVPSGRHIXRSE-NSHDSACASA-N 320.414 3.227 0 40 DGAB Cc1nnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1 14715973 YXOLIMYDUYYHEF-UHFFFAOYSA-N 310.382 3.136 0 40 DGAB CC(C)[C@H](NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 17368013 WIDCGRPZIPKQID-INIZCTEOSA-N 301.342 3.178 0 40 DGAB Cc1nc(C)c(C(=O)NCc2ccc(-c3ccco3)nc2)s1 238844006 IAPFQTXMGFTTFZ-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CC(=O)c1sc(NC(=O)CCOc2ccccc2)nc1C 3209897 OSARTZRLCUWYBB-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB O=C(Cc1ccc(F)cc1)NC[C@H]1CCCN1c1ccccc1 211115783 MEDFEKLSKWDBGI-GOSISDBHSA-N 312.388 3.153 0 40 DGAB O=C(O)C1CCC(Cn2c(=S)[nH]c3ccsc3c2=O)CC1 425441 OOOGTZBTQPPNHG-UHFFFAOYSA-N 324.427 3.012 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@](O)(c1ccccc1)C1CC1 70966025 LOJRCKPNCALONN-IXDOJHRFSA-N 307.393 3.114 0 40 DGAB O=c1oc2c(O)cccc2cc1-c1nc(-c2ccccc2F)no1 12879977 DNYNEDLXSQAAKH-UHFFFAOYSA-N 324.267 3.355 0 40 DGAB CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(C)c2cc1Cl 278240 SZBVGKAYHZAVNH-VIFPVBQESA-N 310.733 3.085 0 40 DGAB O=C(CSc1nnc(-c2cccnc2)o1)OC1CCCCC1 422553 HKESGIGKLFOPIR-UHFFFAOYSA-N 319.386 3.100 0 40 DGAB COc1ccc(N(C(=O)c2cnn(C)c2C)[C@H](C)C2CC2)cc1 69416395 OKWZPIMFGOUONP-GFCCVEGCSA-N 313.401 3.182 0 40 DGAB CN(CCOc1ccc(Cl)cc1)C[C@H](O)c1ccccc1 2643664 KOFWLPMUYUZEFP-KRWDZBQOSA-N 305.805 3.384 0 40 DGAB Cc1nc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)nc(C)c1C 2621222 ZZOVYQGHRXWXEY-IINYFYTJSA-N 307.463 3.189 0 40 DGAB O=C(O)CCCCCNC(=O)c1cc2c(s1)CCCCC2 21012209 LIMVKTHOUJTJNQ-UHFFFAOYSA-N 309.431 3.392 0 40 DGAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1cccc(F)c1 387167 ZHUPQHUETHKMBM-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Oc1cccc(C)c1C 2697007 PZCYRDFIKGUBPE-UHFFFAOYSA-N 306.383 3.388 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 2765913 LGACXVYQLUHXOK-KFWWJZLASA-N 301.386 3.148 0 40 DGAB CC(C)OC(=O)CSc1ncnc2sc3c(c12)CCC3 4215381 LKEXHDHOORZICQ-UHFFFAOYSA-N 308.428 3.224 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)N3CCC(C)CC3)o2)cc1 32768093 GJPNXWXQGGTPDF-UHFFFAOYSA-N 313.401 3.236 0 40 DGAB COC(=O)c1cn([C@H](C)C(=O)N2CCCCC2)c2ccccc12 6957464 IXAFPEDUZZFOSY-CYBMUJFWSA-N 314.385 3.001 0 40 DGAB Cc1cc2nn(-c3ccccc3)nc2cc1NC(=O)C(F)(F)F 8071133 IXNPYQNTOGUWPJ-UHFFFAOYSA-N 320.274 3.230 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1nnc(C(C)C)s1 8751723 ZGTRMMUNQSRXRP-CMDGGOBGSA-N 303.387 3.322 0 40 DGAB CC(C)C(=O)Nc1ccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 2734531 ZIAKERNVJPYIDG-ZIAGYGMSSA-N 302.418 3.399 0 40 DGAB CC(C)=C(C(=O)O)/C(=C/c1c(C)n(C)c2ccccc12)C(=O)O 526803 VSMPPDXWCNECNZ-ZROIWOOFSA-N 313.353 3.376 0 40 DGAB biogenic Cc1cccc(OCCCNC(=O)c2ccc(N(C)C)cc2)c1 12397597 IQXBHJOLKWQPCH-UHFFFAOYSA-N 312.413 3.260 0 40 DGAB CC[C@@H]1CCCCN1C(=O)NCc1cc(F)cc2c1OCOC2 69743032 XZSICCXNAYSQEL-OAHLLOKOSA-N 322.380 3.166 0 40 DGAB O=C(COc1ccc(C(=O)N2CCCCCC2)cc1)C1CC1 69705385 KSLYHEUURZRAIA-UHFFFAOYSA-N 301.386 3.061 0 40 DGAB C[C@H]1CCN(c2ccc(Br)cn2)C[C@@H]1n1ccnc1 89930004 WYUMVKJIQZVVND-AAEUAGOBSA-N 321.222 3.128 0 40 DGAB O=S(=O)(c1ccc2c3c(cccc13)CC2)N1CCCCC1 109952409 ADFXGIUXAZHPRE-UHFFFAOYSA-N 301.411 3.113 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 100285996 DLTIGJNQDRWILU-KSSFIOAISA-N 301.386 3.401 0 40 DGAB Cc1ccc2nsnc2c1NC(=O)C(Cl)(Cl)Cl 59365656 FVVDQFLFENHDOI-UHFFFAOYSA-N 310.593 3.308 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 76021516 AESCLNIXTHICJE-CAPXZKIUSA-N 318.417 3.329 0 40 DGAB COc1ccc(C(C)(C)C)cc1Nc1cc(C)nc2ncnn12 25317248 KLIQUSPCWDYDDU-UHFFFAOYSA-N 311.389 3.482 0 40 DGAB Cc1sc2ncnc(N(C)[C@H]3CCN(C)C[C@H]3C)c2c1C 107072098 SMXHBZICMASRAO-MFKMUULPSA-N 304.463 3.085 0 40 DGAB COc1ccc(CNC(=O)c2ccc3ccccc3n2)c(OC)c1 43747382 UQGUALZMLNLGBX-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB O=C(O)c1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 22120687 WENDPVGNQFRLPJ-UHFFFAOYSA-N 314.272 3.153 0 40 DGAB Nc1cc(C(=O)OCc2nc3ccccc3o2)ccc1Cl 10875888 KMHQTKHABQOQSF-UHFFFAOYSA-N 302.717 3.420 0 40 DGAB Cc1cc(CN(C)C(=O)c2csc3c2CC[C@H](C)C3)no1 48286103 WUVSCANYCXNUKW-JTQLQIEISA-N 304.415 3.442 0 40 DGAB CCNC(=O)[C@@H](C)Sc1nc(C2CC2)nc2ccccc12 10948097 HJMZEBSTRKZFRM-SNVBAGLBSA-N 301.415 3.124 0 40 DGAB CCCN(CCC)CC(=O)Nc1ccc2c(c1)OC(F)(F)O2 36744606 VVFQXMZURICVEK-UHFFFAOYSA-N 314.332 3.069 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)NC2CCC(C)CC2)c1C 8428606 JIZQADUQBJYUNL-UHFFFAOYSA-N 306.406 3.117 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCCNC(=O)c1ccco1 12906386 XIHPRSKPWZUTEA-UHFFFAOYSA-N 320.776 3.390 0 40 DGAB Cc1csc(NC(=O)CCSCc2csc(C)n2)n1 48939160 XCCHXFRBKPJLEP-UHFFFAOYSA-N 313.473 3.478 0 40 DGAB CCOc1ccc(NC(=O)N(C)Cc2nc(CC)no2)cc1C 69657996 MCEQWQZBCADAKL-UHFFFAOYSA-N 318.377 3.003 0 40 DGAB COc1ccccc1NC(=O)c1sc(=S)n(C2CC2)c1N 13692074 KPGJOYPDAVQHGC-UHFFFAOYSA-N 321.427 3.457 0 40 DGAB CCC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccco1 23042568 NZLPESAMHUCMTQ-ZDUSSCGKSA-N 312.325 3.096 0 40 DGAB C[C@@H]1CCN(Cc2cnc3ccc(Br)cn23)[C@@H]1C 91859341 BCTBNTYTPHDQTE-GHMZBOCLSA-N 308.223 3.327 0 40 DGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1 5236200 HBWFXTPCWKDPBW-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB C[C@H](c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccoc2)CC1 65474662 YJXCAKGTUVXYBF-GFCCVEGCSA-N 320.339 3.077 0 40 DGAB CCn1cc(Br)c(C(=O)N2[C@H](C)CCC[C@H]2C)n1 6490158 ZBQIRTCWSDNELK-NXEZZACHSA-N 314.227 3.069 0 40 DGAB O=S(=O)(NCc1cccs1)c1ccccc1C(F)(F)F 6528661 HEMJGCJCCAWWCC-UHFFFAOYSA-N 321.345 3.245 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)cc1C 6566282 JYOPFRWOYGGQQW-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB CCc1c(C(=O)N[C@H](C)c2ccccc2)cnn1-c1ccccn1 8715264 YNUAKDQKLLOPQF-CQSZACIVSA-N 320.396 3.321 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2Cl)s1 7193115 LWFFYHJYJDLOGU-UHFFFAOYSA-N 317.798 3.370 0 40 DGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@@H]2CCCC[C@@H]21 7307597 WYCMLKDHJCDEJW-FZMZJTMJSA-N 315.385 3.308 0 40 DGAB CC[C@H](Nc1cccc(C)c1C)C(=O)Nc1nnc(C)s1 7460040 KLTIPRQCJBQARL-LBPRGKRZSA-N 304.419 3.293 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1nc(-c2ccccc2)no1 7759131 RFHKKJKZKCULAA-VAWYXSNFSA-N 305.337 3.066 0 40 DGAB CC(C)c1ccc(-c2nnn(C[C@@H](O)c3ccccc3)n2)cc1 8924765 WNKNCGOHUBSDPS-QGZVFWFLSA-N 308.385 3.197 0 40 DGAB COc1ccc(Cn2c(=O)oc3cc(Cl)ccc32)cc1F 7866667 YWAUEGZGEDNODO-UHFFFAOYSA-N 307.708 3.444 0 40 DGAB COc1ccc(CN(C)[C@H](C)C(=O)N2CCc3ccccc32)cc1 8312936 GTXBITOEBXYTDS-OAHLLOKOSA-N 324.424 3.105 0 40 DGAB Cc1cccc([C@@H](NC(=O)c2c[nH]c(C)cc2=O)C(F)(F)F)c1 96004711 HVNWCFHFJDHGGM-CQSZACIVSA-N 324.302 3.025 0 40 DGAB C[C@H](SCC(=O)NC1CC1)c1ccc(OC(F)F)cc1 78714614 HGQVZRZMJSYLHC-VIFPVBQESA-N 301.358 3.361 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccccc1OC 20455993 AYNVQSMKFIIZOH-CQSZACIVSA-N 313.397 3.341 0 40 DGAB O=C(c1ccccc1)N1CCN(Cc2ccccc2Cl)CC1 19841850 KVOAEQKXTFFFRB-UHFFFAOYSA-N 314.816 3.298 0 40 DGAB O=C(N[C@@H](C(=O)O)c1ccccc1F)c1coc2ccccc12 97036445 CGDAWXDEQKFKRL-OAHLLOKOSA-N 313.284 3.128 0 40 DGAB c1ccc(C2(c3nnc(-c4ccncc4)o3)CCOCC2)cc1 71889560 YIYOAILRSCLCGR-UHFFFAOYSA-N 307.353 3.228 0 40 DGAB c1ccc(-n2nnnc2NCCSCc2ccsc2)cc1 9721451 BOJWKJIKRXCXHY-UHFFFAOYSA-N 317.443 3.069 0 40 DGAB COc1ccc(NC(=O)N[C@H]2CCO[C@H](CC(C)C)C2)c(C)n1 95464614 SZYQPMZYOFUASH-UONOGXRCSA-N 321.421 3.114 0 40 DGAB CC(C)Oc1ncccc1NCc1ccc([S@@](C)=O)cc1 95430857 QRXGVAGICOBKJS-NRFANRHFSA-N 304.415 3.218 0 40 DGAB O[C@H]1Cc2ccccc2[C@@H]1NCc1cnc(C2CCC2)s1 95415557 WIBXKNPTIGWJMP-HOTGVXAUSA-N 300.427 3.159 0 40 DGAB O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCc2cnccc21 98015812 FIVADSUYRSKZNH-YLJYHZDGSA-N 304.393 3.265 0 40 DGAB Cc1sc(NC(=O)C2CC2)c(C(=O)N2CCC2(C)C)c1C 89558776 QNQRXKVAKKQXBW-UHFFFAOYSA-N 306.431 3.338 0 40 DGAB Cn1cc(-c2csc(N[C@@H]3CCOc4ccccc43)n2)cn1 89756595 VTEPCYDFENYBRE-CYBMUJFWSA-N 312.398 3.479 0 40 DGAB CSc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1F 89894395 QYHBCMYBZSBNGW-SNVBAGLBSA-N 312.410 3.484 0 40 DGAB CS(=O)(=O)c1ccc2nc(NCc3cccs3)sc2c1 62716555 ADJNOTDVDFPBBR-UHFFFAOYSA-N 324.452 3.373 0 40 DGAB COc1ccc([C@H]2CC(=O)c3c(O)cc(C)cc3O2)cc1O 4348895 LGLTYGYWJYRBBO-OAHLLOKOSA-N 300.310 3.121 0 40 DGAB biogenic Cn1cc(-c2ccccc2CNCc2ccc3nc[nH]c3c2)cn1 533921062 INPBIRPXYSGSLC-UHFFFAOYSA-N 317.396 3.253 0 40 DGAB O=C(O)/C=C/c1cccc(NC(=S)NC2CCCCC2)c1 216928942 DSVMSXAUTASVKK-MDZDMXLPSA-N 304.415 3.404 0 40 DGAB Cc1ccc(OCC(=O)NCCOc2cc(C)ccc2C)cc1 224042067 YKPLFFVWEZMTPA-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccncc3)cc2)n1 61367345 FCNUYCVANDIHBE-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB COc1ccc(NC(=S)NCc2ccco2)c2cccnc12 225318340 AWRSWDNHMKSCDY-UHFFFAOYSA-N 313.382 3.323 0 40 DGAB COc1ccc(C[S@@](=O)CC[C@@H]2CCCO2)c(Cl)c1 195577195 LLYOKNYRSCNVDC-BUXKBTBVSA-N 302.823 3.166 0 40 DGAB CCCCO[C@@H]1C[C@H](NC(=O)c2cccnc2S)C1(C)C 96451582 VWCKTJSUPRIQMN-QWHCGFSZSA-N 308.447 3.084 0 40 DGAB CC(C)n1nnnc1CN[C@@H](C)c1ccc(C(F)(F)F)cc1 96402676 CJKOMOPRPGFRIC-JTQLQIEISA-N 313.327 3.124 0 40 DGAB CCCN(CCO)C(=O)Nc1ccc(COC2CCCC2)cc1 96418133 JQPPXBPHXWQTLR-UHFFFAOYSA-N 320.433 3.382 0 40 DGAB Cc1cncc(C2CCN(C(=O)CCc3ccccc3)CC2)n1 257262482 LLNXQPXTRLLDRV-UHFFFAOYSA-N 309.413 3.124 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCC[C@@H](O)c1ccoc1 90612913 WZNRZKKSKMMSKA-LLYBFZRZSA-N 305.761 3.186 0 40 DGAB CC(C)c1noc([C@H](C)N2CCO[C@H](c3ccccc3)C2)n1 58370242 RZTKRAIYXWJFNU-ZFWWWQNUSA-N 301.390 3.328 0 40 DGAB COc1ccc(C(=O)N(C)C)cc1NC(=O)CCC1CCCC1 55840979 MFQNBGUSAVMDPA-UHFFFAOYSA-N 318.417 3.306 0 40 DGAB CCc1ccc([C@H]2CCN([C@H](C(=O)O)c3cccnc3)C2)cc1 564583583 DUYODDQWAWFBFT-ROUUACIJSA-N 310.397 3.259 0 40 DGAB Clc1cnc(OC2CCN(CCc3ccccc3)CC2)nc1 1226660175 CTDWWVUCMCSVER-UHFFFAOYSA-N 317.820 3.216 0 40 DGAB CCCOc1ccc(C(=O)NCCN(C)c2ccccc2)cc1 12611606 RHLQNXQXXIYLRG-UHFFFAOYSA-N 312.413 3.342 0 40 DGAB COC(=O)c1cccc(NC(=S)NCc2ccc(C)cc2)c1 13795889 AAEFFHLZKNGBAB-UHFFFAOYSA-N 314.410 3.268 0 40 DGAB CC(=O)c1oc2ccccc2c1NC(=O)Cc1c(C)noc1C 154036135 FAFXLFWNLDIVQN-UHFFFAOYSA-N 312.325 3.421 0 40 DGAB CNc1ccccc1C(=O)OCC(=O)c1ccc(Cl)s1 3378213 BQVZLNPMTHQMEZ-UHFFFAOYSA-N 309.774 3.483 0 40 DGAB Cc1cnc(N2CC(n3c(C(C)C)nc4ccccc43)C2)nc1 1888879298 HWNAGQIMYVMFLE-UHFFFAOYSA-N 307.401 3.319 0 40 DGAB Cc1nc(CN2CCC(COc3ccncc3Cl)CC2)co1 1848728983 NYNQITNKYWRSOD-UHFFFAOYSA-N 321.808 3.322 0 40 DGAB CCn1cc(C(=O)N2CC[C@H](c3ncc(C)[nH]3)C2)c2ccccc21 2037677813 BDRMQRWGLLSOMB-AWEZNQCLSA-N 322.412 3.322 0 40 DGAB O=C1/C(=C\c2ccc3c(c2)OCO3)N=C(S)N1c1ccccc1 5774209 SYSOPOIXPRHSOB-MDWZMJQESA-N 324.361 3.089 0 40 DGAB CCOc1cccc(NC(=O)c2cc(=O)c3ccccc3o2)c1 6355720 VTPATIPXHCTCQH-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB O=C(Cc1cc(-c2ccccc2F)on1)NCCc1ccccc1 23127203 HIJDNZFJDXWRPY-UHFFFAOYSA-N 324.355 3.382 0 40 DGAB COC(=O)CCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575360439 DDASOLZQUDLQFF-UHFFFAOYSA-N 308.227 3.059 0 40 DGAB O=C(/C=C/c1ccco1)NCC[C@@H](CCO)c1ccsc1 575606515 HOCYUBDHERLMRE-OOPCZODUSA-N 305.399 3.027 0 40 DGAB CCc1cc2c(Sc3ncccc3C(=O)O)ncnc2s1 35225102 VIJMDPSZMUFNPO-UHFFFAOYSA-N 317.395 3.498 0 40 DGAB c1ccc(-c2nnc3c4cnn(-c5ccccc5)c4ncn23)cc1 206059 YZIKALYZVSCLOS-UHFFFAOYSA-N 312.336 3.130 0 40 DGAB Clc1ccccc1[C@@H]1C=C(c2cccs2)Nc2nnnn21 101302979 DKFMOQYJMITLSR-LBPRGKRZSA-N 315.789 3.444 0 40 DGAB O=C(/C=C/c1ccccc1F)Nc1ccc(-n2cncn2)cc1 29201131 IPAMRPWCDZIKAJ-BJMVGYQFSA-N 308.316 3.058 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)cc1 29483260 YXXCTKTXOVVYST-IBGZPJMESA-N 322.408 3.447 0 40 DGAB O=C(O)[C@@H]1[C@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 1753223 DNEKUWFJUMEDPQ-HOCLYGCPSA-N 315.756 3.314 0 40 DGAB O=C(CSc1nncc2ccccc12)Nc1cccc(O)c1 2699481 XVZQXXOECNJSLP-UHFFFAOYSA-N 311.366 3.066 0 40 DGAB COc1cc([C@@H]2OC[C@]3(CO)[C@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 4027177 JVGXICUTXHMMNN-GLUGTNLDSA-N 318.413 3.299 0 40 DGAB biogenic COC[C@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 21330750 NRZZYZGBEXUTRU-LBPRGKRZSA-N 318.442 3.121 0 40 DGAB CC(=O)Nc1nc(-c2ccc3c(c2)C[C@@H](C)N3C(C)=O)cs1 4892189 NNLWLZOOYAZJHA-SECBINFHSA-N 315.398 3.066 0 40 DGAB Cc1cc(NCc2ccc(C(=O)N(C)C(C)C)cc2)nc(C)n1 32825038 NLKHTTALTWYOGH-UHFFFAOYSA-N 312.417 3.186 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3)C2=O)c1 101275215 BOCNQOPLLIJYAU-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB Cc1nn(C)cc1-c1cc(C(F)(F)F)c2c(C)nn(C)c2n1 2741105 KPTGJAFPHRVHTL-UHFFFAOYSA-N 309.295 3.004 0 40 DGAB Cn1nnc2cc(C(=O)Nc3cccc4ccccc34)ccc21 103724007 GULPTZKELSPCQR-UHFFFAOYSA-N 302.337 3.374 0 40 DGAB Cc1noc(COC(=O)COc2ccc(-c3ccccc3)cc2)n1 23272584 VHCXQRWXLCYMQD-UHFFFAOYSA-N 324.336 3.167 0 40 DGAB O=C1NN=C(c2cccc(F)c2)C[C@@H]1c1ccc(Cl)cc1 1403204 YSHZZSZOQRSCJK-CQSZACIVSA-N 302.736 3.487 0 40 DGAB CC(=O)c1csc(NC(=O)CCCOc2cccc(C)c2)n1 25256294 XEYOQKVLBAMZOO-UHFFFAOYSA-N 318.398 3.452 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)Cc2ccc(F)cc2)c1 25287320 ATTNKFZVYVLWEF-UHFFFAOYSA-N 324.359 3.285 0 40 DGAB COCc1ccccc1CNC(=O)c1ccc(OC(F)F)cc1 25302635 VQIYUDOBTQZBNR-UHFFFAOYSA-N 321.323 3.364 0 40 DGAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1cccc(F)c1 101276556 NBOMAMRYPQIMMR-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CN(C(=O)c1nc(N2CCCC2)ncc1Cl)C1CCCCC1 44256028 WGFGXKFEYGPKIH-UHFFFAOYSA-N 322.840 3.135 0 40 DGAB c1csc(CN2C[C@H]3c4ncc(-c5ccncc5)n4C[C@H]3C2)c1 306134013 NBTXCAPYJYBIDC-GDBMZVCRSA-N 322.437 3.236 0 40 DGAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)NCc1cccs1 12796642 JSTIKEGQAARPQX-CHWSQXEVSA-N 318.442 3.112 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1 12813574 MUKQMCLHNMJVEJ-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2cc3ccccc3o2)n1 12990754 IGSICFPRSOKDMM-NSHDSACASA-N 323.352 3.277 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)CN(C)C(C)C)cc1 63501340 PMHDVBYEJLZPNV-GOSISDBHSA-N 318.461 3.479 0 40 DGAB Cc1cc2cc(CN3C(=O)c4ccccc4C3=O)ccc2n1C 4056985 HYKMSFVNDBWYSP-UHFFFAOYSA-N 304.349 3.283 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 69976369 DCMMWSZERHOZMJ-LJQANCHMSA-N 323.440 3.466 0 40 DGAB O=C(CCOCC(F)(F)F)Nc1cccc(-c2cnco2)c1 65158780 NMOBLJQOMNUNES-UHFFFAOYSA-N 314.263 3.249 0 40 DGAB COc1ccc(OCCNC(=O)Nc2ccc(F)cc2F)cc1 14016904 UBXYNUBUKNVDSG-UHFFFAOYSA-N 322.311 3.174 0 40 DGAB CCOc1ccc(S(=O)(=O)NCc2ccc(C)cc2)cc1C 6595880 HTWWJGOXOUADDM-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB O=C(NCc1cn2cc(Cl)ccc2n1)c1ccccc1F 6567037 ADXWULCWMDJHHQ-UHFFFAOYSA-N 303.724 3.057 0 40 DGAB Cc1nc(-c2ccccc2C)n(CC(=O)N[C@H](C)c2ccco2)n1 66081862 NUMDOGLQZFIEHK-CYBMUJFWSA-N 324.384 3.032 0 40 DGAB C[C@H](OC(=O)c1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 5504679 XLZXFDFYVZWYGV-ZDUSSCGKSA-N 315.413 3.170 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccccn2)c(Br)c1 8779580 DIGCEQIUQSJVLP-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB COC(=O)CCSc1nnc(Nc2ccc(C)cc2)s1 7032498 YYFVTUFEDWVEBA-UHFFFAOYSA-N 309.416 3.245 0 40 DGAB C[C@H](NC[C@@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C 91281825 HMLJDISJCQPMRC-IINYFYTJSA-N 319.792 3.204 0 40 DGAB COC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 71415966 NBLOTTFXUQVIIP-GOSISDBHSA-N 323.392 3.379 0 40 DGAB COC[C@@H](NC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 70019707 WHNZERDGVLOHLM-CQSZACIVSA-N 324.302 3.218 0 40 DGAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)c1cnn(-c2ccccc2)c1 71884179 GIKQICAFGNQRIO-ZIAGYGMSSA-N 321.384 3.069 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)n1 71870303 YIDZHHXHRRECPH-PKOBYXMFSA-N 323.440 3.221 0 40 DGAB CC(C)c1nccn1[C@H]1CCCN(C(=O)Cc2cccs2)C1 72234646 RTIYVQYAKOOOFE-AWEZNQCLSA-N 317.458 3.474 0 40 DGAB CCN(C(=O)c1cnn(C)c1)[C@@H](Cc1ccc(C)cc1)C1CC1 72297704 JAKSHUUAJZUSLT-SFHVURJKSA-N 311.429 3.212 0 40 DGAB CC[C@@H](NCc1nc(C)no1)c1nc(C(F)(F)F)cs1 97111008 NYLGHEVVAIGNIG-SSDOTTSWSA-N 306.313 3.094 0 40 DGAB COc1ccc(C(=O)Oc2ccc(-c3ccccc3)nn2)cc1 408526712 AJDVIZSVWJUDAA-UHFFFAOYSA-N 306.321 3.371 0 40 DGAB Nc1cc(CCCNCc2cccs2)nn1-c1ccccc1 84569546 PIJNXYSGCZKGNI-UHFFFAOYSA-N 312.442 3.238 0 40 DGAB CCOC[C@@H](O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 95431930 AEYFRRUMEQUPLU-MAUKXSAKSA-N 302.418 3.092 0 40 DGAB COc1ccc(CN(C(=O)C2=CCCCO2)c2ccncc2)cc1 95429047 CERCCYHEBCOPEO-UHFFFAOYSA-N 324.380 3.318 0 40 DGAB CCc1ccc(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cc1 89284868 JUYGDERNQSLQJV-MJGOQNOKSA-N 314.473 3.376 0 40 DGAB Brc1cnc(N[C@H]2CCO[C@@H]2c2ccccc2)nc1 75092148 LEESQGCAYKTRCM-QWHCGFSZSA-N 320.190 3.181 0 40 DGAB Cc1nnc(-c2cccc(C(=O)O[C@@H](C)c3ccccn3)c2)o1 89736405 FXHQYRCGDLHMSG-NSHDSACASA-N 309.325 3.358 0 40 DGAB O=C(NCc1cccnc1)c1ccc(Cl)cc1-n1cccc1 61718094 GEGSELOXAKUCMF-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1N1CCCCC1 72222454 IQNXMIKTVMPWEB-UHFFFAOYSA-N 305.422 3.405 0 40 DGAB CC(C)c1cc(C(=O)N2CCO[C@H](C)C2)c(O)c(C(C)C)c1 32865737 JICPMJRRNVMCJB-CYBMUJFWSA-N 305.418 3.500 0 40 DGAB Cc1ccc(Oc2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 72260098 JXROERWATSLMMT-CQSZACIVSA-N 301.342 3.289 0 40 DGAB C/C(=C\C(=O)N(Cc1ccccn1)C1CCNCC1)C(C)(C)C 1574970683 YCDNYQDGASFEQU-FYWRMAATSA-N 315.461 3.155 0 40 DGAB Cc1ccccc1N1CC(Nc2cccc(C(=O)O)c2)=CC1=O 227163235 IBWSLIUHYOGYMM-UHFFFAOYSA-N 308.337 3.036 0 40 DGAB Cc1cc2c(N)nc(=O)n(Cc3ccc(Cl)cc3)c2s1 40285979 XPCUDDWRRMQWBZ-UHFFFAOYSA-N 305.790 3.050 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 195530757 YVZNXIOJZJIKAF-ILXRZTDVSA-N 319.449 3.061 0 40 DGAB COc1cccc(-c2cnc(CCC(=O)N3CCCCC3)o2)c1 224848440 NXDLCGWQIWODCJ-UHFFFAOYSA-N 314.385 3.295 0 40 DGAB CCCC(=O)Nc1c(Br)cc(C)cc1C(=O)O 44965664 NEQLMJNWWCMVEB-UHFFFAOYSA-N 300.152 3.194 0 40 DGAB CC[C@@]1(C)CN(C(=O)Nc2cc(F)c(OC)cc2C)CCO1 190311500 MACJUHKUNMKKTH-INIZCTEOSA-N 310.369 3.176 0 40 DGAB CCCc1noc([C@@H]2CCCN(C(=O)c3cccs3)C2)n1 46087169 GRFVQJDQVCFYDQ-LLVKDONJSA-N 305.403 3.103 0 40 DGAB CS[C@@H]1CC[C@@H](N[C@@H](C)CC(=O)N(C)c2ccccc2)C1 195541110 ZMYPPYZYMBRJPI-SQWLQELKSA-N 306.475 3.302 0 40 DGAB CC[C@]1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1 191097343 IDXBFZUDFJDSMV-MRXNPFEDSA-N 318.398 3.357 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1cc(N)ccc1N(C)C 226261367 XUNMYJSSLAFSCC-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB CCOC(=O)c1cc2cc(O)ccc2n1C(=O)OC(C)(C)C 95630385 FKYRBBCAGIGTIO-UHFFFAOYSA-N 305.330 3.307 0 40 DGAB CO[C@@H]1CCN(C(=O)C2CCCCC2)[C@H]1Cc1ccccc1 96261285 OUCYGHXEIXNDQA-ZWKOTPCHSA-N 301.430 3.425 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(CCc3ccc(O)cc3O2)C1 96319623 KUBCROSHAQDGIC-QGZVFWFLSA-N 305.374 3.097 0 40 DGAB Cn1cc(NC(=O)N2CCC[C@@H]2c2cccnc2)c(C2CC2)n1 583474381 CMEFAWFZUDRJJD-OAHLLOKOSA-N 311.389 3.062 0 40 DGAB CC(=O)NC1CCC(Nc2cnn(CCC(C)C)c2C)CC1 97102458 DHDOYQBAKQFPFW-UHFFFAOYSA-N 306.454 3.097 0 40 DGAB COc1cccc([C@H]2CC(c3ccsc3)=NN2C(C)=O)c1 95116601 ALIKUFJSODXLPI-MRXNPFEDSA-N 300.383 3.454 0 40 DGAB O=C(c1cscn1)N(Cc1ccccc1)CC1(O)CCCC1 96475419 VTEZQEHSDVRGIT-UHFFFAOYSA-N 316.426 3.091 0 40 DGAB CC(C)[C@@H]1CO[C@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96222043 FZGBTTDKJBUPJS-MAUKXSAKSA-N 303.402 3.060 0 40 DGAB C[C@@H]1C[C@@H](Sc2nnc(CCCc3ccccc3)o2)C(=O)O1 96430334 MQFATJXHCGPXQN-DGCLKSJQSA-N 318.398 3.041 0 40 DGAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(Cc2nnc(C)o2)n1 96467957 CWHGZGKJPLIZFJ-UHFFFAOYSA-N 324.171 3.300 0 40 DGAB c1cnc2c(CNc3ncnc4c3ncn4C3CC3)cccc2c1 431409871 KHVRSCDFVIZKIK-UHFFFAOYSA-N 316.368 3.322 0 40 DGAB CC(=O)NCc1ccc([C@@H]2CCCN2C2CCCCC2)nc1 257222424 DTFXZAHCBYFSHR-SFHVURJKSA-N 301.434 3.187 0 40 DGAB Cc1cc2nc([C@@H]3CCCCN3Cc3cc(C)on3)ccn2n1 257204175 ATINKRMNMZPION-INIZCTEOSA-N 311.389 3.061 0 40 DGAB CC(=O)N[C@@H]1C[C@H](CCc2ccccc2)O[C@@H]2CCCC[C@@H]12 257250839 JOFMBDBETXKSQG-INDMIFKZSA-N 301.430 3.472 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 257229073 FWPDMGWAJJFSEL-AWEZNQCLSA-N 308.385 3.219 0 40 DGAB CO[C@H](CNC(=O)NCc1ccc(F)cc1)c1cccc(F)c1 96388854 XYVVATMKBWORPD-MRXNPFEDSA-N 320.339 3.152 0 40 DGAB NCCC12CCC(NC(=O)OCc3ccccc3)(CC1)CC2 575631112 YBXUVXWVNZMQKW-UHFFFAOYSA-N 302.418 3.355 0 40 DGAB CC(C)Cc1ncc(-c2cnc(C[C@@H]3CCN(C)C3)cn2)s1 585261165 VZVOBUPTSNTDQR-ZDUSSCGKSA-N 316.474 3.293 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 55863567 RQVYROXDHNXEDM-KRWDZBQOSA-N 315.392 3.082 0 40 DGAB C[C@@H]1c2ccsc2CCN1c1ncc(Br)cn1 67120324 FALZHIVVNALTTP-MRVPVSSYSA-N 310.220 3.424 0 40 DGAB O=C1CCCN1CC[C@@H]1CN(C(=O)C2CC=CC2)c2ccccc21 81649611 AVXKLIMVTBVHQM-MRXNPFEDSA-N 324.424 3.096 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCCc2ccc(O)cc2)C1 95411229 RFSDPOKDFSIKDW-HOCLYGCPSA-N 322.474 3.250 0 40 DGAB COCC1(CCNC(=O)c2cc(Br)cs2)CC1 579962448 GAMQCLQZTFXAQJ-UHFFFAOYSA-N 318.236 3.057 0 40 DGAB COc1cccc(NC(=S)Nc2ccc3c(c2)OCO3)c1 13790191 URFUWPGJCHQWHY-UHFFFAOYSA-N 302.355 3.233 0 40 DGAB Oc1c(-c2ccccc2)sc2nc(-c3ccccc3)cn[n+]12 16493290 XPYSLOUFRXOWIL-UHFFFAOYSA-O 306.370 3.316 0 40 DGAB COCCC(=O)N[C@@H](Cc1ccsc1)c1nc(C)c(C)s1 19559744 QAELCKKLRMUNDF-ZDUSSCGKSA-N 324.471 3.258 0 40 DGAB O=C(CC1CCCCC1)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924425 OUKWEIRFEDQINM-MRXNPFEDSA-N 314.429 3.126 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H]1CCCO1 27906619 KVYIECXCIUUILQ-MEBBXXQBSA-N 319.792 3.027 0 40 DGAB O=c1c2cccnc2[nH]c(=S)n1CCc1ccccc1Cl 424535 JTUSWSOJYUWOMB-UHFFFAOYSA-N 317.801 3.350 0 40 DGAB O=C(Nc1nnc(SCc2cccc(F)c2)s1)C1CC1 4078286 CVYPHAQYMQMBNF-UHFFFAOYSA-N 309.391 3.318 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 9038660 HYYVLTYKIYGVOI-HNNXBMFYSA-N 323.396 3.170 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1 23105500 ZXKHCKUCIZKYQT-CQSZACIVSA-N 322.861 3.363 0 40 DGAB O=C(Cc1cc(-c2ccc(F)cc2F)on1)Nc1nccs1 23127186 GJEOHQJMQYMVQI-UHFFFAOYSA-N 321.308 3.258 0 40 DGAB O=C(CCc1ccccc1)N1CCN(Cc2ccsc2)CC1 49027088 WDBVTALRRHMNND-UHFFFAOYSA-N 314.454 3.025 0 40 DGAB O=C(O)CS[C@@H](Nc1ccccc1C(=O)O)c1ccccc1 2045803 SQHWCKCVJMCALY-OAHLLOKOSA-N 317.366 3.313 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(F)c(F)c2)C1 108150913 GZFMOIGGJLMWKJ-CYBMUJFWSA-N 310.388 3.092 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccc(F)cc2)[nH]n1 40086465 NVMCDOYYMCDMKE-UHFFFAOYSA-N 321.315 3.344 0 40 DGAB S=C1SCCN1CN(C1CC1)[C@@H]1CCc2ccccc21 40155479 LQPWLVMQVLKSRL-OAHLLOKOSA-N 304.484 3.430 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccc(OC)cc2OC)cc1 147278 RWCXIVMYZXFOKD-VZUCSPMQSA-N 313.353 3.364 0 40 DGAB CC(=O)c1ccccc1OCc1csc(-c2cnn(C)c2)n1 40555622 MJOXXHLFKBRGLJ-UHFFFAOYSA-N 313.382 3.325 0 40 DGAB CCCCC[C@H](C)NC(=O)c1ccc(N2CCOC2=O)cc1 40523308 UILPAWNEYXKQAM-ZDUSSCGKSA-N 304.390 3.342 0 40 DGAB C[C@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@H](C)O1 20572335 IPLFSHOZGYGAJJ-UWVGGRQHSA-N 318.200 3.008 0 40 DGAB Cc1ccnc(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)c1 248213 IUIWCUHBSZDXIF-MRXNPFEDSA-N 317.433 3.050 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(N)s2)c(C)c1 342037 UOSNMRWSMADICK-SNVBAGLBSA-N 322.459 3.165 0 40 DGAB O=C(Nc1cccc(-c2cn3ccccc3n2)c1)c1cnccn1 1351655 HGJYPHBDCSFEKL-UHFFFAOYSA-N 315.336 3.044 0 40 DGAB CCN(C(=O)[C@H]1CCCN(c2ncccn2)C1)c1ccccc1C 32464738 KVBYHLKSSVDLSP-INIZCTEOSA-N 324.428 3.055 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(F)cc2)s1 3384648 SHTZKCUQAOFRIB-NSHDSACASA-N 321.373 3.230 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)c(C)c1 4104463 QBBAWFDMPDVLTB-FZKCQIBNSA-N 307.393 3.313 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1C 32768747 DOFZAJQBVVEIHS-GFCCVEGCSA-N 309.369 3.371 0 40 DGAB CN(C)C1(CNC(=O)NCc2ccc(Cl)cc2)CCCCC1 32843748 SJUYBAQMQGWHKJ-UHFFFAOYSA-N 323.868 3.404 0 40 DGAB CCOc1ccc(OCCNC(=O)NCCCC(C)C)cc1 32801761 MEZDCDJQDQZNDU-UHFFFAOYSA-N 308.422 3.200 0 40 DGAB Cc1ccc(N2CC(=O)N(c3ccc(C)cc3C)CC2=O)c(C)c1 8369001 BLYZQLNUEZCJDX-UHFFFAOYSA-N 322.408 3.300 0 40 DGAB COc1cccc(NC(=O)[C@H](SCCO)c2ccccc2)c1 33045864 VFPHSDAHVDDPOP-MRXNPFEDSA-N 317.410 3.101 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C1 33185059 GXJYXYMBBVXDOQ-AAEUAGOBSA-N 319.430 3.426 0 40 DGAB C[C@@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1 9232434 ALXNZNCVVDWZRE-LBPRGKRZSA-N 316.788 3.198 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N2CCC[C@@H](C)C2)cc1OC 20035524 ZKVFMPZHMDEMJK-CHWSQXEVSA-N 323.458 3.443 0 40 DGAB O=C(CCc1ccccc1O)Nc1ccc2c(c1)OCCCO2 23039773 UEYAYKQMYSFTNQ-UHFFFAOYSA-N 313.353 3.125 0 40 DGAB O=C(Nc1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2c1 20534098 PTZFTPXEUMXMMC-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB CN1CCC(NC(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)CC1 100798467 JVBKHYHTKZAXDV-NBLCHNQSSA-N 304.478 3.193 0 40 DGAB CN(Cc1ccsc1)Cc1cc(=O)n2cc(Cl)ccc2n1 24216348 GJGFYMYKOKRYDA-UHFFFAOYSA-N 319.817 3.041 0 40 DGAB O=C(NCc1ccccn1)N[C@@H]1CCOc2c(Cl)cccc21 55084948 ITCMQWFTVFNTJU-CQSZACIVSA-N 317.776 3.058 0 40 DGAB COc1cc(C)c([C@@H](C)NC(=O)Nc2cc(C)on2)cc1OC 43177027 UQCUNBFPWGKASR-LLVKDONJSA-N 319.361 3.191 0 40 DGAB Cc1cccc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)c1 27995842 CILQSTSTGKOXGM-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1ccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20141644 HQEOHDWQKXNBGY-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB CCOC(=O)c1nc(C)n(-c2ccc(Cl)cc2Cl)n1 3111127 QUDVACRZWGPJNZ-UHFFFAOYSA-N 300.145 3.059 0 40 DGAB O=C(CCc1ccco1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55943718 RMUVQGKPQONRQH-SJLPKXTDSA-N 317.360 3.388 0 40 DGAB Cn1cc(C(=O)NCCCOc2ccccc2)c2ccccc21 25908311 HBOXSLHSRPPKSM-UHFFFAOYSA-N 308.381 3.377 0 40 DGAB CC(C)CCN1CCN([C@H](C)c2nc(C(C)(C)C)no2)CC1 47867672 PDJVOBDWPJTWJS-CQSZACIVSA-N 308.470 3.092 0 40 DGAB Cc1ccc(C2(CNC(=O)c3ccoc3C)CCOCC2)cc1 68168715 LDDQAKVVJXEJQG-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CC[C@H](NC(=O)CCOC(C)C)c1nc(-c2ccccc2)c[nH]1 58304710 NFWLFWLSBUPBCD-HNNXBMFYSA-N 315.417 3.459 0 40 DGAB O=C(Nc1cccc(F)c1)Nc1ccn(Cc2cccnc2)n1 58331217 WBAIBHWNDDXWLJ-UHFFFAOYSA-N 311.320 3.110 0 40 DGAB Cc1cc(C(=O)NC2CCCCC2)c2cnn(C(C)C)c2n1 10808749 MOHHQWXEAZPJIC-UHFFFAOYSA-N 300.406 3.383 0 40 DGAB Cc1cc(C(=O)OCC(=O)NCc2ccccc2Cl)c(C)o1 3318692 WSNJEFKSEDBUDA-UHFFFAOYSA-N 321.760 3.023 0 40 DGAB O=C(NCc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 36622458 YALJGLCMMYOAPK-UHFFFAOYSA-N 309.774 3.103 0 40 DGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1cc(C)on1 48374920 IQGNVKXSFCGNBH-UHFFFAOYSA-N 307.325 3.185 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)[C@H]1CC(=O)N(c2ccccc2)C1 8216657 HIQXZSFGUFDWEA-INIZCTEOSA-N 320.392 3.167 0 40 DGAB COc1cccc(C(=O)NCCc2coc(-c3ccccc3)n2)c1 69367357 JOVJPHCJJHIIQD-UHFFFAOYSA-N 322.364 3.323 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)OC(C)(C)C 8402417 RUQCKJVACGBACA-UHFFFAOYSA-N 317.341 3.149 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 14093445 MHVCAEJIBDGMNT-UHFFFAOYSA-N 304.371 3.305 0 40 DGAB COc1ccc(NC(=O)CCc2ncc(-c3ccccc3)o2)cn1 14047445 LXOWJIWYMFTBOH-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB O=C(CSc1ccccn1)c1cccc(N2CCCC2=O)c1 65519678 ZZMKWVHMJNXGFP-UHFFFAOYSA-N 312.394 3.183 0 40 DGAB O=C(NCc1csc(C2CC2)n1)c1ccc(O)c(Cl)c1 69973333 XRSLXIYBVPNJSR-UHFFFAOYSA-N 308.790 3.310 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2NC1=O 14180910 TZFRNSOWJVTNQJ-SNVBAGLBSA-N 322.320 3.405 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2c2ncnc3sccc23)n1 69919315 QJAXVOQXEQLLDF-CYBMUJFWSA-N 313.430 3.174 0 40 DGAB c1ccc2c(c1)OC1(CCNCC1)c1c-2ncn1CC1CCC1 306143889 YPSDEFWLCQHRFI-UHFFFAOYSA-N 309.413 3.321 0 40 DGAB COc1ccc2[nH]cc([C@@H](O)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 4871536 CAPKXBVTQCWBKD-JCGVRSQUSA-N 302.418 3.188 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c(C)c1 7548782 SCHMSYJHQNGVLS-CQSZACIVSA-N 303.402 3.298 0 40 DGAB COCCOc1ccccc1C(=O)Nc1ccc(Cl)c(N)c1 19736535 LACBKGVZGOAPIS-UHFFFAOYSA-N 320.776 3.200 0 40 DGAB COc1ccccc1COC1CCN(Cc2cccn2C)CC1 97051537 FXRIXNXZQWSYKT-UHFFFAOYSA-N 314.429 3.215 0 40 DGAB COc1cc(C)ccc1OCCC(=O)N1C[C@H]2CCC[C@H]2C1 96462194 WWZHIFRHDRKTNQ-GASCZTMLSA-N 303.402 3.031 0 40 DGAB CN(C)c1ccnc(C(=O)Nc2c(F)cccc2NC2CC2)c1 97104073 JFXQKXBQQMKHNA-UHFFFAOYSA-N 314.364 3.113 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCC2CCCCC2)c1 72329243 NTGWUBIELXUKGT-UHFFFAOYSA-N 313.401 3.395 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2c2noc(C)n2)c(C)o1 76043406 FZFALAOPYHXNQC-IINYFYTJSA-N 303.362 3.055 0 40 DGAB c1ccc(CN2C[C@H]3[C@@H](NCc4cncs4)CC[C@H]3C2)cc1 97372191 DBWMNLQTOBNVCP-JQHSSLGASA-N 313.470 3.143 0 40 DGAB C[C@H](C1CC1)N(C)Cc1cn2cc(Br)ccc2n1 76553114 UYPKOKZYHXGPFN-SNVBAGLBSA-N 308.223 3.327 0 40 DGAB C[C@@H](NC[C@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 95423306 YUSBSWRTCZQGOW-BZNIZROVSA-N 311.328 3.439 0 40 DGAB COc1cccc2c1CCCCN2C(=O)c1ccncc1F 95436414 AVCDDXQFACZTPX-UHFFFAOYSA-N 300.333 3.212 0 40 DGAB CC[C@@H](NC(=O)NCc1ccnc(C)n1)c1cc(F)ccc1F 77544786 GECLLEMHFHSDRO-OAHLLOKOSA-N 320.343 3.014 0 40 DGAB Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(C)no3)[C@@H](C)CO2)c1 78877684 HOPGTOIJUPHCGG-YOEHRIQHSA-N 314.385 3.202 0 40 DGAB COCCN(Cc1ccccc1)C(=O)c1sc(Cl)nc1C 75092761 KLUFQGCYHNMAMB-UHFFFAOYSA-N 324.833 3.394 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N1CCC[C@@H]2CCC[C@H]21 78941701 UCRGWMAGYVGBOK-SMDDNHRTSA-N 305.447 3.495 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)Nc2cc(Cl)c(Cl)cn2)n1 72529879 CBROWRXIZHGQKO-SECBINFHSA-N 313.188 3.401 0 40 DGAB CSC[C@H](CCO)NC(=O)Nc1ccccc1C(C)(C)C 77659976 YTVUGGWORTVHCP-LBPRGKRZSA-N 310.463 3.220 0 40 DGAB Cc1cccc(C)c1NC(=O)c1cccc(CN2CCOCC2)c1 30851854 RCMNTKVQDSBUSM-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB CC(=O)C[C@H](c1cccc(O)c1)c1c(O)c2ccccc2oc1=O 38600199 DDKYQGKCKYAWAT-OAHLLOKOSA-N 324.332 3.315 0 40 DGAB in-vitro COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C)cc2)N1 34798744 BEEVAEJHPKFYMA-ZWKOTPCHSA-N 320.392 3.253 0 40 DGAB biogenic CN(Cc1ccco1)C(=O)CCn1ncc2c(Cl)cccc21 40759459 BWXRCCXMXHCZKX-UHFFFAOYSA-N 317.776 3.331 0 40 DGAB Cc1oc2ccccc2c1C(=O)N1CCCc2c(cnn2C)C1 570930693 KQMZPAQFBWDTLC-UHFFFAOYSA-N 309.369 3.063 0 40 DGAB Cc1ccc(-c2nnsc2C(=O)NCc2ccccc2)cc1 225772914 WFOLGUSDBJEDJF-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB COc1cccc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)c1 225031473 WSSPILAAZVAKSQ-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CC(C)CCN1CC[C@H]2COC(=O)N2c2cc(F)ccc2C1 225486630 GUABBTMYVFCCAY-HNNXBMFYSA-N 306.381 3.403 0 40 DGAB biogenic,in-vitro C[C@H](NC(=O)Cn1ccc(=O)c2cc(F)ccc21)c1ccccc1 225748678 CTSCIUGWTDPIMH-ZDUSSCGKSA-N 324.355 3.018 0 40 DGAB CCOc1cc(/C=C/C(=O)Nc2cccc(O)c2)ccc1OC 98066570 YIDGEWXVPDFBID-CSKARUKUSA-N 313.353 3.451 0 40 DGAB CCOc1ccc(C(=O)N(C)C)cc1NC(=O)c1ccsc1 96455986 WWFQEDQYMIXTEZ-UHFFFAOYSA-N 318.398 3.101 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H]2CC(=O)N3c2ccsc2)o1 96055729 XPCOTCSWZWVJAX-LSDHHAIUSA-N 302.399 3.029 0 40 DGAB COc1ncccc1CN1CCCC2(CCN(C(C)C)CC2)C1 96071784 RGDCBQHESFSMIU-UHFFFAOYSA-N 317.477 3.177 0 40 DGAB C[C@@H](CC(=O)c1cccs1)NC(=O)Cc1cccc(F)c1 96483846 HVKQWVGSOYZWQL-NSHDSACASA-N 305.374 3.207 0 40 DGAB O=C(NC[C@@H]1CCOc2ccccc21)c1ccncc1Cl 96443683 YRGGJCHEXSTZPQ-NSHDSACASA-N 302.761 3.031 0 40 DGAB Cc1nc2cc(C(=O)Nc3nnc(CC(C)C)s3)ccc2[nH]1 95480435 WBDZLIGDISJDLG-UHFFFAOYSA-N 315.402 3.174 0 40 DGAB CC[C@@H]1CN(C(=O)Nc2cnn(C)c2)CC[C@H]1c1ccccc1 96445883 UNUYULGPLPTGGL-RHSMWYFYSA-N 312.417 3.468 0 40 DGAB Cc1cc(-c2nc(C)c[nH]2)nc(CC2CCN(C(C)C)CC2)n1 257305969 SSHIJDPEFGRBAP-UHFFFAOYSA-N 313.449 3.146 0 40 DGAB C[C@@H](CC(=O)N[C@@H]1CCCc2nc[nH]c21)Cc1cccc(F)c1 585122672 XEYCOEILENFKEV-MLGOLLRUSA-N 315.392 3.311 0 40 DGAB Cc1cncc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 257332944 XZKQYZGMEOQIIC-SFHVURJKSA-N 307.397 3.251 0 40 DGAB Cc1cc(O)c(C(=O)N2CCCCC[C@@H]2c2ccncc2)cn1 266098950 CNIICPMEFBSSCC-MRXNPFEDSA-N 311.385 3.248 0 40 DGAB O=C(c1nn(CCCCCF)c2ccccc12)N1CCCC1 299817143 GSCLIRQNUBFUJA-UHFFFAOYSA-N 303.381 3.412 0 40 DGAB in-vitro CCCc1cc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)n[nH]1 585283710 BXLGKXVZYFEAAC-SCLBCKFNSA-N 319.449 3.172 0 40 DGAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCC[C@@H]1n1ccnc1 71812656 OFEIGGCORSRHSA-AEFFLSMTSA-N 322.412 3.138 0 40 DGAB O=C(O)[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl 12020867 UEKJTQQIUHSLQT-LLVKDONJSA-N 302.157 3.073 0 40 DGAB C[C@H]1CN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H](C)O1 14118478 DDGPJLZDSPTSDB-JTDSTZFVSA-N 324.424 3.476 0 40 DGAB Cc1cc(C(=O)Nc2cccc(Cl)c2)c2c(C)nn(C)c2n1 14898365 IFWYPGKXFUKEPR-UHFFFAOYSA-N 314.776 3.491 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)cc1 16099677 QFFXZDFVTDTBCJ-UHFFFAOYSA-N 315.394 3.179 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)c(F)c2)nnn1-c1ccccc1 19910899 MSYPFRRMJZIKFC-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB C1=C[C@@]2(CCNC2)Oc2cc(OCCc3ccccc3)ccc21 36141904 JRECODUFRXOTCJ-FQEVSTJZSA-N 307.393 3.446 0 40 DGAB COc1ccc(OC)c(NC(=O)/C=C/c2cccc(F)c2)c1 6396008 IGZCASWYTJFKKV-RMKNXTFCSA-N 301.317 3.495 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cc(C3CCOCC3)ncn2)c1 1888850251 BPKNVBNVDRWMPD-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB CCc1nnsc1C(=O)N[C@H](C)c1ccc(SC)cc1 27163305 TVFGQNPDAUXYFJ-SECBINFHSA-N 307.444 3.313 0 40 DGAB COc1ccc(CN2CCC(Oc3nccs3)CC2)cc1 1849121017 GJEKJQPCGXUAOK-UHFFFAOYSA-N 304.415 3.195 0 40 DGAB O=C(N[C@@H]1CCC12CCOCC2)c1ccc(-n2cccc2)cc1 585409482 SZYGRRFNRIBRGU-QGZVFWFLSA-N 310.397 3.166 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 100526933 KEOHVBVLJVUNLS-QQXRRDQMSA-N 308.164 3.305 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)N1[C@H]2CC[C@H]1CC(O)C2 101179078 ZNNYBTYBDXPYGB-HOTGVXAUSA-N 322.408 3.185 0 40 DGAB O=C1N[C@@H](c2ccc(Br)cc2)Nc2ccccc21 293919 MNZHDYUFCVJFHW-ZDUSSCGKSA-N 303.159 3.303 0 40 DGAB S=C(NC[C@@H]1CCCO1)Nc1ccc2oc(C3CC3)nc2c1 46111126 LYIZLXIQOHEZGN-LBPRGKRZSA-N 317.414 3.171 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 20749294 VPLPKYZIPHGMON-OAHLLOKOSA-N 323.392 3.438 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 101516384 IOGVIMFDOHVLLQ-GMXVVIOVSA-N 304.777 3.449 0 40 DGAB O=C(O)CSc1ccc(NC(=O)NC2CCCCC2)cc1 1564764 OJIDKKAROFQQCL-UHFFFAOYSA-N 308.403 3.318 0 40 DGAB CCCN(CCC)C(=O)COc1ccc2c(C)cc(=O)oc2c1 349952 IXCGYPULZVEZMW-UHFFFAOYSA-N 317.385 3.129 0 40 DGAB biogenic CCCC(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 350495 VRFLXRPMBPOVCA-CYBMUJFWSA-N 309.369 3.128 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C(N)=S 2546147 BHPWNHCGNFMQBR-QWHCGFSZSA-N 306.431 3.066 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2c1ccc(N(C)C)cc1 3077221 SIFPURSJLSOTJV-INIZCTEOSA-N 313.353 3.030 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1cccc(O)c1 4910144 ZLQXPCXOHCZIBX-KRWDZBQOSA-N 323.352 3.331 0 40 DGAB O=Cc1cc2c(-c3ccccc3)nn(-c3ccccc3)c2[nH]c1=O 4911902 QIACZHZKPGPJKX-UHFFFAOYSA-N 315.332 3.193 0 40 DGAB CC(=O)c1ccc(C(=O)OCc2cn3cc(C)ccc3n2)s1 32830339 IUPJLUFICPJRFW-UHFFFAOYSA-N 314.366 3.264 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCCCCCC1 32968975 TYWVNBPNJVQXEW-AWEZNQCLSA-N 310.438 3.179 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)cc(C)c1 8051225 DJEWOMPNYGVKMR-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2cccc(C)c2)n1 8476937 RRHDFXWZCBHCDW-UHFFFAOYSA-N 320.396 3.383 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 33185817 REKWDBYPFQRBTR-MNOVXSKESA-N 316.323 3.331 0 40 DGAB Cc1ccccc1OCCNC(=O)CSc1ccccc1 55954169 YPZADGKJJZBTSJ-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccco1 24559967 SJFSEVSMGORGNH-INIZCTEOSA-N 321.380 3.332 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)cc1 12581277 LHPJBSOLXYNFBG-IIAWOOMASA-N 303.402 3.093 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)C[C@H]1C[C@H]3CC[C@H]1C3)OCO2 107079328 YECQCGZUSPSRIP-RWMBFGLXSA-N 315.369 3.383 0 40 DGAB CC(C)[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)c1ccncc1 110601926 ZSUPHJNTDZEIKH-GUTXKFCHSA-N 307.463 3.314 0 40 DGAB O=C(c1ccc(-c2ccccc2)cc1)N1CCC2(CC1)OCCO2 28090753 JEVXRPZAGOXMNY-UHFFFAOYSA-N 323.392 3.333 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)N(C)Cc1ccco1 44896302 AVZJBWQAHJNOQP-UHFFFAOYSA-N 310.353 3.444 0 40 DGAB O=C(Nc1cccc(OC[C@H]2CCCO2)c1)OCC(F)(F)F 44980573 GVBXDRXQHLYCAE-GFCCVEGCSA-N 319.279 3.355 0 40 DGAB Cc1ccccc1CNC(=O)CN1CCC[C@@H]1c1ccccc1 10340529 UXTMTIIWIFJGAH-LJQANCHMSA-N 308.425 3.448 0 40 DGAB O=C(NC1CC1)[C@H](NCc1ccccc1Cl)c1ccccc1 24517512 UWAYZIAHJGQIBF-QGZVFWFLSA-N 314.816 3.450 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2ccc(F)cc2)c1C 12699843 JWZQQCVPFZDSRX-UHFFFAOYSA-N 302.349 3.245 0 40 DGAB CC(C)c1ccc([C@H](CC(=O)O)NC(=O)C(F)(F)F)cc1 2384386 USXCOSPARFHTLV-NSHDSACASA-N 303.280 3.004 0 40 DGAB O=C(CCC(=O)c1ccc(Br)cc1)NC1CCCC1 3371773 ZSCUSWXKYXVZHI-UHFFFAOYSA-N 324.218 3.471 0 40 DGAB COc1ccccc1Cn1cnc2c([nH]c3cc(C)ccc32)c1=O 2444513 UQZUXKPHFRWMDU-UHFFFAOYSA-N 319.364 3.243 0 40 DGAB CONC(=O)Cc1csc(-c2ccc(C(F)(F)F)cc2)n1 36728696 SVRQQFGYMOYGLG-UHFFFAOYSA-N 316.304 3.049 0 40 DGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc2c(O)cccc12 12767534 DVJFMQJNMPVCAA-ZIAGYGMSSA-N 311.337 3.151 0 40 DGAB O=C(OC/C=C/c1ccccc1)c1c[nH]c(C(=O)N2CCCC2)c1 48340378 GKOGXBBFGBQZJJ-RMKNXTFCSA-N 324.380 3.121 0 40 DGAB CCc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)cc1 12886571 DPVQNHHQJMNOAZ-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB CS[C@@H]1CC[C@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 110713277 QDJWUWUTMVULIQ-UONOGXRCSA-N 306.479 3.206 0 40 DGAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1cccc(F)c1 12925111 LMUKDRNPIQOXIN-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB c1cncc(-c2n[nH]c(SCc3nc4ccccc4o3)n2)c1 69595156 YRILJVUHKJKTJO-UHFFFAOYSA-N 309.354 3.300 0 40 DGAB CC(C)(C)c1ccc(C(=O)N2CCC[C@H](n3cncn3)C2)cc1 69629079 WZQHMRMEAMVSGZ-INIZCTEOSA-N 312.417 3.053 0 40 DGAB CC(=O)c1csc(-c2csc(CCN3CCOC3=O)n2)c1 69629685 SVLCGZYYIUZEPE-UHFFFAOYSA-N 322.411 3.069 0 40 DGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C)cc1C 408611879 XGRYWCVXOXOKMC-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB c1csc(-c2cc3c(N4CCSCC4)nccn3n2)c1 67285214 OBRXDWCNPYFANI-UHFFFAOYSA-N 302.428 3.011 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cc2c(s1)-c1ccccc1OC2 5050282 KIKRTDBWAJUZNS-LBPRGKRZSA-N 315.394 3.216 0 40 DGAB CCC(=O)N(Cc1cc2ccc(C)cc2[nH]c1=O)C(C)(C)C 5053550 CLXVAGIPQRRTRM-UHFFFAOYSA-N 300.402 3.374 0 40 DGAB O=S(=O)(Nc1c(F)c(F)cc(F)c1F)c1cccs1 14256541 CTWGFGHMBRIZBX-UHFFFAOYSA-N 311.281 3.105 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc2ccccc2o1 6687476 OHECHUOSVCJEQF-UHFFFAOYSA-N 323.348 3.476 0 40 DGAB COc1cccc(OC)c1OC[C@H](C)CNCc1ccco1 4833514 JBVSJKDSDONGIE-CYBMUJFWSA-N 305.374 3.102 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nnc(C3CC3)o2)c1C 7288490 QSRDPIMEUKZTNZ-UHFFFAOYSA-N 319.386 3.070 0 40 DGAB c1ccc(OC[C@@H]2CCCN(Cc3cnc4cnccn34)C2)cc1 93364665 FXAJLSNAGSTQID-MRXNPFEDSA-N 322.412 3.020 0 40 DGAB Cc1oc(C)c(C(=O)OCc2nc(N)c3ccccc3n2)c1C 9117584 APTBYHOQPVKCBQ-UHFFFAOYSA-N 311.341 3.087 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1C 9364464 OHYAWSPMPNELTL-LBPRGKRZSA-N 310.353 3.275 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 21871828 OLKBMUIVWBXGFT-HOCLYGCPSA-N 324.424 3.353 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2c2ccncc2)cnn1C(C)(C)C 71819751 YBGXWQSGECBDKI-INIZCTEOSA-N 312.417 3.319 0 40 DGAB COc1ccc(CNCc2ccccc2-n2cccn2)cc1OC 71820802 AOZAVNXTQSZWIE-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB C[C@@H](NCc1noc2c1CCCC2)c1ccc2c(c1)OCCO2 97033009 QUOMJZWUVWEVFV-GFCCVEGCSA-N 314.385 3.175 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 72235646 XMTDBMZBXYVKKL-CQSZACIVSA-N 319.355 3.255 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@H]2C[C@H]2c2ccco2)no1 84284849 VCIAYGFMEVTYQK-MNOVXSKESA-N 317.389 3.115 0 40 DGAB CC(C)OCC[C@H]1CCCCN1C(=O)Cc1ccccc1O 84621880 IGDTYEQNXZKETR-MRXNPFEDSA-N 305.418 3.131 0 40 DGAB COc1cc(C(=O)N[C@H](C)CC(=O)c2cccs2)ccc1F 95979594 YKNWOHCEXABJHD-SNVBAGLBSA-N 321.373 3.287 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)s1 89406865 PUUQALATPYFZTJ-RYUDHWBXSA-N 319.357 3.416 0 40 DGAB O=C1COc2ccc(Cl)cc2CN1CCc1cccs1 65184399 VIKWNRWDICZZCT-UHFFFAOYSA-N 307.802 3.365 0 40 DGAB CC(C)[C@@H](CNC(=O)c1c[nH]c2ncccc12)c1cccnc1 530720299 XBWVLZQANXFJPM-OAHLLOKOSA-N 308.385 3.128 0 40 DGAB C[Si](C)(C)c1ccc(I)c(F)c1F 219794724 YUTWABMFJAYDRB-UHFFFAOYSA-N 312.173 3.115 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C1 33185056 GXJYXYMBBVXDOQ-DGCLKSJQSA-N 319.430 3.426 0 40 DGAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1cnc2ccccc2n1 38720507 BTIIAKHJBYVSKR-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCc1ccccc1F 74923427 ZWRIPJXVXSAYNU-UHFFFAOYSA-N 313.781 3.099 0 40 DGAB O=C(NCc1cc(-c2ccco2)on1)c1c[nH]c2ccccc12 36662457 MCVJTLSFHXELHE-UHFFFAOYSA-N 307.309 3.346 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H](c2ccccc2)C2CC2)cc1 32865703 NBLZZBWDIQNMEK-HXUWFJFHSA-N 322.408 3.455 0 40 DGAB CC(=O)NC[C@@H]1CCCN(CCCc2ccc(Cl)cc2)C1 77271905 ZJAMASVWBRQSQY-INIZCTEOSA-N 308.853 3.121 0 40 DGAB CC(C)(C)C(=O)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 72334791 YOPRDVSDPACKLK-UHFFFAOYSA-N 312.417 3.224 0 40 DGAB CC(C)(C)OC(=O)N1CCC(O)(c2ccc(F)cc2F)CC1 79033244 BMLLANIYQXGZFE-UHFFFAOYSA-N 313.344 3.183 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)N[C@H](C)c2cccnc2)c1 43387942 CUNJKOVWRYTGIN-GFCCVEGCSA-N 313.357 3.059 0 40 DGAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@@H]2CCCO2)c1 49891003 ZEAUICFOJGMTAI-CABCVRRESA-N 305.418 3.181 0 40 DGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccnc1 224021663 DQGVHDWALBYMPE-CQSZACIVSA-N 310.397 3.044 0 40 DGAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222723650 ZXSYDIJIUYERMO-NWDGAFQWSA-N 309.847 3.399 0 40 DGAB O=C(CCc1nc(-c2cccc(F)c2)no1)N1CCCCCC1 225800819 PYQGLBPFZIZOQT-UHFFFAOYSA-N 317.364 3.211 0 40 DGAB COc1ccc(C)cc1C[C@@H](Oc1ccccc1C)C(=O)O 225117059 NDPLOOSKOPUCDC-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB c1cc(CN2CCC3(CC2)C[C@H](OCC2CC2)CO3)cs1 96106608 WQGBUADLDUSHJP-INIZCTEOSA-N 307.459 3.298 0 40 DGAB COc1ccc([C@@](C)(O)[C@H]2CCCN2C(=O)C=C2CCC2)cc1 583616013 CDGQIAWUMJSJQT-IEBWSBKVSA-N 315.413 3.004 0 40 DGAB Cc1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CC2)s1 96057885 LHVZQGXSCLYCLR-GVDBMIGSSA-N 307.459 3.215 0 40 DGAB CC(C)N(C)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583651796 SJKOHWBPINYINX-UHFFFAOYSA-N 312.369 3.482 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cn1ccnc1)[C@H]1C[C@H]2CC[C@H]1C2 248254211 NKANWDGDUPTOFE-PASDCYSWSA-N 323.440 3.486 0 40 DGAB COc1cccc(O[C@@H](C)CNC(=O)N2[C@@H](C)CC[C@H]2C)c1 246658913 WAZUFTDDIZYDPB-MJBXVCDLSA-N 306.406 3.045 0 40 DGAB CC(=O)NCc1ccc([C@H]2CCCN2C2CCCCC2)nc1 257222423 DTFXZAHCBYFSHR-GOSISDBHSA-N 301.434 3.187 0 40 DGAB CC(C)c1nc([C@@H](CO)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cs1 585127375 YUZTULHKFNHGCB-XDQVBPFNSA-N 322.474 3.242 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 585102960 MMHKGTBRCZTBGH-OAHLLOKOSA-N 309.475 3.464 0 40 DGAB CCCc1noc([C@@H](C)Nc2cc(OC)c(OC)c(OC)c2)n1 44584944 OSCNRHFLIZVJKS-SNVBAGLBSA-N 321.377 3.221 0 40 DGAB COCCCN(CCOC)C(=O)Nc1ccc(C)cc1Cl 56534017 DWIYXXCIROJDDY-UHFFFAOYSA-N 314.813 3.165 0 40 DGAB CCc1ncc(C(=O)Nc2nc(-c3ccccn3)cs2)s1 58006321 MIZYNFOKIYXLDB-UHFFFAOYSA-N 316.411 3.476 0 40 DGAB CCCS(=O)(=O)N1CC=C(c2c(C)[nH]c3ccccc23)CC1 67942372 UXXRPWLKNFVNSJ-UHFFFAOYSA-N 318.442 3.305 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 69921270 LULNDDHWUJZNIA-AWEZNQCLSA-N 317.458 3.222 0 40 DGAB C[C@@H](NC(=O)c1cc(O)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 107325487 IQZIOBLUWYVRBK-UKTARXLSSA-N 310.397 3.495 0 40 DGAB COc1ccc(-c2cc3nc(C)c(Cl)c(O)n3n2)cc1OC 5721402 MCWXOMHWRJKTOR-UHFFFAOYSA-N 319.748 3.081 0 40 DGAB COc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 4589827 CEBHOMRFEPVNQZ-PTNGSMBKSA-N 309.321 3.048 0 40 DGAB NC(=O)c1cccc(Nc2ncnc3c2oc2ccccc23)c1 9313935 UEAPSHQFYBVHHR-UHFFFAOYSA-N 304.309 3.219 0 40 DGAB CCOc1ccc(NC(=O)CSc2ccccc2)c(N)c1 226359555 JWIWGWGKGRRLJA-UHFFFAOYSA-N 302.399 3.398 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@H]1CCC2=O 4025847 XGUHPTGEXRHMQQ-AFQPOQBFSA-N 302.414 3.060 0 40 DGAB biogenic,in-vitro CC(=O)N1CCC(Cc2ccc(-c3nc(C)cs3)nc2)CC1 1848352074 NXCHEGQSNMVMPW-UHFFFAOYSA-N 315.442 3.315 0 40 DGAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccccc1Cl 245819 ZUEPMRPQXKTPJC-UHFFFAOYSA-N 316.744 3.277 0 40 DGAB CCC(=O)c1ccc(OC[C@H](O)CSc2ccccn2)cc1 11692572 FRDACZNCADSFEQ-AWEZNQCLSA-N 317.410 3.206 0 40 DGAB Clc1ccc2nc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)oc2c1 1889133958 MDJYOWHCWMPQOQ-TXEJJXNPSA-N 317.820 3.402 0 40 DGAB CO[C@H](CNC(=O)Cc1ccsc1)c1ccccc1Cl 121856972 VUFRIYKUHRCLIN-CQSZACIVSA-N 309.818 3.448 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)o1)c1ccc2c(c1)OCO2 575610174 LLJPPFXPZVBXPR-UHFFFAOYSA-N 311.293 3.198 0 40 DGAB O=C(NC[C@](O)(c1ccccc1)C1CC1)c1cccc(Cl)c1 70966165 MYXVVLWUIUQEAL-SFHVURJKSA-N 315.800 3.368 0 40 DGAB CCc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)NC(=O)CN21 2125031 SOLFLTYRPAWLMI-XTXLJPNXSA-N 322.408 3.479 0 40 DGAB biogenic COc1ccccc1Nc1ncccc1C(=O)Nc1ccncc1 22260512 JHMQUGNGIUYMNV-UHFFFAOYSA-N 320.352 3.481 0 40 DGAB CC1CCN(CCNC(=O)Nc2ccc(F)cc2Cl)CC1 40097494 WIAQJFFYKXAOSC-UHFFFAOYSA-N 313.804 3.333 0 40 DGAB CCOc1ccc(CNC(=O)c2cnc(C(C)C)nc2C)cc1 75437066 DNPQNWJSOTVAFA-UHFFFAOYSA-N 313.401 3.237 0 40 DGAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccc(O)cc1)CC3 784033 JJAJTDULOGQVBX-UHFFFAOYSA-N 315.328 3.445 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)[C@@H]2C(=O)Nc3ccccc32)cc1 101680286 VBYKKIZPTRQUGC-MRXNPFEDSA-N 322.364 3.054 0 40 DGAB COc1ccc2ccccc2c1CNn1c(C)n[nH]c1=S 7601127 RTEXWPSFBQWOTP-UHFFFAOYSA-N 300.387 3.155 0 40 DGAB O=C(CNc1ccc(F)c(Cl)c1)NCCc1ccc(F)cc1 21887280 FXZGQEZPGGFTNC-UHFFFAOYSA-N 324.758 3.389 0 40 DGAB C[C@@H](CNC(=O)c1ccc2ccccc2n1)N(C)c1ccccc1 46809587 XIAAWWGDDDGDSW-HNNXBMFYSA-N 319.408 3.490 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@@H](C)Oc1ccccc1 55693339 JLVRZIUNLMBPIX-HZPDHXFCSA-N 313.397 3.346 0 40 DGAB Cc1cccnc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 9945548 KQQUQIXVAOLMGO-UHFFFAOYSA-N 304.733 3.067 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCn1ccnc1 28201793 RHKIOORGZVKDPS-UHFFFAOYSA-N 319.408 3.299 0 40 DGAB CN(C)C1(CNC(=O)[C@@]2(C)CC2(Cl)Cl)CCCCCC1 24582527 XSDRZCUJFIGBNW-CYBMUJFWSA-N 321.292 3.341 0 40 DGAB CCOCCCCNC(=O)Nc1ccc(OC)c(Cl)c1 47338662 PEPYMCZSTIIZPM-UHFFFAOYSA-N 300.786 3.287 0 40 DGAB CCCCN(C)C(=O)/C(=C\c1ccc(C)cc1)n1ccccc1=O 12467148 BOYQJXSLNGWWTR-OBGWFSINSA-N 324.424 3.413 0 40 DGAB CC(=O)Nc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1 43653591 FNYWNSAKDYTMDZ-LLVKDONJSA-N 301.346 3.429 0 40 DGAB CCNC(=O)[C@H]1CCCN(Cc2ccc(C(F)(F)F)cc2)C1 57867942 AQJDLFKZPQPQNH-ZDUSSCGKSA-N 314.351 3.054 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)CCn1ccc2ccccc21 58215584 RLTOMZXCRUBSLU-UHFFFAOYSA-N 324.428 3.202 0 40 DGAB CCCCSCC(=O)Nc1cccc(C(=O)NC(C)C)c1 27734793 WACXYMJJMPXNDP-UHFFFAOYSA-N 308.447 3.297 0 40 DGAB O=C(CSCc1ccc(F)cc1)NCCCN1CCCCC1 20454395 IEVBDVSPNYFCFR-UHFFFAOYSA-N 324.465 3.051 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCc3ccccc3C2)c1C 36386221 RQRTWPIQJRMQCK-CQSZACIVSA-N 324.424 3.464 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1ccccc1F 12789882 XKNIPHIJXNONPY-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB CC1=NN(c2ccc(-c3nnc(-c4ccncc4)o3)cc2)CC1 48274138 VLOQTIGTBWAWLT-UHFFFAOYSA-N 305.341 3.385 0 40 DGAB COc1cc(C(=O)Nc2ccccc2N2CCCC2=O)ccc1C 12988769 PIEALEBMIYHIBM-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB COc1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1Cl 65514756 IPXVMDLPKCSOCH-VXGBXAGGSA-N 302.761 3.486 0 40 DGAB CC(C)COC[C@@H](NC(=O)Nc1ccccn1)c1ccco1 65543075 SUNUNKPONFSZNG-CYBMUJFWSA-N 303.362 3.210 0 40 DGAB O=C(NCc1cccs1)c1cc(Cl)c2c(c1)OCCCO2 20910560 JFRVQFQQNJJPNQ-UHFFFAOYSA-N 323.801 3.493 0 40 DGAB CC1CCN(C(=O)c2nn(-c3ccccc3)c3c2CCC3)CC1 14142038 ZTUBADVXFYURHA-UHFFFAOYSA-N 309.413 3.233 0 40 DGAB C[C@H](NC(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccccc1 65626279 LTMJXNUVQFZJKK-NSHDSACASA-N 311.341 3.014 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccccc1 5650127 LKUCNRLEDYHFMU-AWEZNQCLSA-N 303.745 3.286 0 40 DGAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)NC3=O)cc2)cc1 4813666 PZBZTQNAMMHUBF-XNTDXEJSSA-N 310.378 3.327 0 40 DGAB CSc1ccc(CN(C)[C@H](C)C(=O)NC2CCCC2)cc1 7266936 CDBQQLNYMYLGQM-CYBMUJFWSA-N 306.475 3.288 0 40 DGAB C[C@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@H](c2ccccc2)O1 67828038 HOSYKALAFIBZRO-SUMWQHHRSA-N 321.380 3.165 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3sccc3C)C2)no1 67888457 PFAZESWMFHOSMA-LLVKDONJSA-N 305.403 3.022 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccccc1C 113943037 RBUIEXUFRSCCFH-SFHVURJKSA-N 313.397 3.477 0 40 DGAB CCCC1CCC(CN[C@@H]2CCc3nc(CC)nn3C2)CC1 89949974 BPDQEYZMIRUDNC-UYSNPLJNSA-N 304.482 3.351 0 40 DGAB CC(C)c1ccccc1OCCNC(=O)NCc1cccnc1 71897496 JKBNADRXVKYZJM-UHFFFAOYSA-N 313.401 3.083 0 40 DGAB COc1cccc(NC(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)c1 71908635 QNDSQLPUXQTMBB-DOTOQJQBSA-N 318.417 3.243 0 40 DGAB CCCCN(C(=O)c1ccccn1)c1ccccc1C(=O)OC 71911324 RAJNXGXVHOUEQM-UHFFFAOYSA-N 312.369 3.315 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)NCCCc1nc2ccccc2[nH]1 9756352 HVBHYNNWYIWQGZ-KBPBESRZSA-N 314.433 3.373 0 40 DGAB Cc1cccc(C)c1OCCCNC(=O)N1CCCSCC1 84225554 LEFRZYPBJOPASL-UHFFFAOYSA-N 322.474 3.221 0 40 DGAB C[C@H](N[C@@H](C(N)=O)c1ccccc1)c1ncc(-c2ccccc2)o1 97112326 GAVSUZDFTUMDAY-SUMWQHHRSA-N 321.380 3.219 0 40 DGAB O=C1CCOc2cc(Br)cc(Br)c21 76914471 UBQPVQWCVLVLNJ-UHFFFAOYSA-N 305.953 3.177 0 40 DGAB NC(=O)Cc1ccccc1NCc1ccc(OC(F)F)c(F)c1 95437421 GGNFJRVMVUFVIY-UHFFFAOYSA-N 324.302 3.067 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)cc(N2CCCC2)c1 95444920 LYQYVTQOYGBNAM-UHFFFAOYSA-N 317.368 3.410 0 40 DGAB CC1(C(=O)Nc2ccc(F)c(-n3cccc3)c2)CCOCC1 78796477 BFWZRROXICFQGO-UHFFFAOYSA-N 302.349 3.372 0 40 DGAB CC(=O)c1c(C)cc(C)c(CS(=O)(=O)c2nccs2)c1C 78787823 RWHDNRSRVCIVFO-UHFFFAOYSA-N 323.439 3.245 0 40 DGAB CCOc1cccc(CN[C@H]2CCSC2)c1OC(F)F 95969251 NXNCTSQRYMSQCV-NSHDSACASA-N 303.374 3.282 0 40 DGAB CC(C)n1c(N)nnc1SCc1ncc(Cl)cc1Cl 95990739 PRAPLYKOYWJMPV-UHFFFAOYSA-N 318.233 3.435 0 40 DGAB CC(=O)c1csc(NC(=O)[C@H]2SCCc3sccc32)n1 74236602 VTMJEKOIXVMXIH-NSHDSACASA-N 324.452 3.376 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)c1ccc2[nH]c(=S)oc2c1 74677877 JARXDPPMEAIPGP-LBPRGKRZSA-N 320.414 3.377 0 40 DGAB O=C(CCc1cscn1)NC[C@@H]1C[C@@]12CCc1ccccc12 79070095 UKYKRWDHCZGZLX-KSSFIOAISA-N 312.438 3.096 0 40 DGAB Cc1nc2c3ccccc3nc(S[C@H](C)c3ncccn3)n2n1 1559354866 HDFYNLNDPLZSPM-SNVBAGLBSA-N 322.397 3.229 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3ccc(F)cc3)no2)cc1 33623060 LUWNTYQIPJVNSX-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB Clc1ccc2c(NCCCN3CCOCC3)ccnc2c1 36962557 YXFRGFRPDJRMHG-UHFFFAOYSA-N 305.809 3.022 0 40 DGAB biogenic CC(C)C[C@@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1cccs1 129675511 SJCVCSRLCCIBAM-LSDHHAIUSA-N 323.506 3.428 0 40 DGAB CC(C)Oc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 219735382 PJCXSWKZHYIQKX-UHFFFAOYSA-N 313.353 3.133 0 40 DGAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1cccs1 78807585 PUBCGJNMJGGTCU-UHFFFAOYSA-N 303.355 3.242 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)c2cnc(C)s2)cc1OC 79309604 YIADOSXKRGFKCD-QMMMGPOBSA-N 324.377 3.099 0 40 DGAB COCCc1ncc(CN2CCC[C@H]2c2cccc(F)c2)cn1 36752898 XQQMBHVHRGDJED-KRWDZBQOSA-N 315.392 3.142 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)no1 31158747 RRABWNWCEHJJGL-KRWDZBQOSA-N 309.369 3.371 0 40 DGAB CC[C@@H]1CCCCN1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 77726811 MYZOCJSVTVVDAB-OAHLLOKOSA-N 317.433 3.493 0 40 DGAB O=C(NCCCCCC(=O)N1CCCCC1)NC1CCCCC1 79361338 ADYFHCJNQWKDAU-UHFFFAOYSA-N 323.481 3.191 0 40 DGAB O=C(NCC1CCCCC1)c1ccc(CN2CCCC2=O)cc1 46542455 IWQAISJEJDQSOS-UHFFFAOYSA-N 314.429 3.119 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@H](N)c2ccccc2)C1 225476604 BBAAIUQOKDURTP-XHSDSOJGSA-N 306.475 3.209 0 40 DGAB O=C1C[C@H](c2noc(-c3cccc(F)c3)n2)CN1c1ccccc1 49060260 YXBMSWLEHVIZLM-ZDUSSCGKSA-N 323.327 3.396 0 40 DGAB Cc1cccc(NC(=O)C(=O)NCCC2CCCCC2)c1C 41852904 HUEUYURGSCVZBJ-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB Fc1ccc(OC2CCN(CCc3ccncc3)CC2)cc1 96406618 RRQQHPMMMCYQJG-UHFFFAOYSA-N 300.377 3.307 0 40 DGAB O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccco1 91059630 PPJZJMBYCZFZNH-JSGCOSHPSA-N 309.724 3.332 0 40 DGAB CCOC(=O)N(C)C1CCN([C@H](C)Cc2ccsc2)CC1 97370748 UWXWVGFIPSCRHG-CYBMUJFWSA-N 310.463 3.232 0 40 DGAB CC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)nc1C 95448338 QUKWWPHAYODXDX-UHFFFAOYSA-N 308.337 3.269 0 40 DGAB c1cncc(COC[C@@H]2CC3(CCN(C4CCC4)CC3)CO2)c1 96106156 MRFYQGIHRDRDSW-SFHVURJKSA-N 316.445 3.022 0 40 DGAB O=Cc1c(-c2ccc(F)cc2)nn2ccnc(N3CCCCC3)c12 96530819 VGJABLIBQGDAMS-UHFFFAOYSA-N 324.359 3.338 0 40 DGAB COCc1csc(NC(=O)N2CC[C@H](C3CCCC3)C2)n1 579939968 PHYXMPYAVARXNT-LBPRGKRZSA-N 309.435 3.334 0 40 DGAB COc1c(C)cnc(CSc2nc(=O)ccn2C(C)C)c1C 96411923 WCICWJHGYAVUGW-UHFFFAOYSA-N 319.430 3.137 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251216291 LKLAZQTUPPBQSF-WRFANHODSA-N 303.402 3.157 0 40 DGAB CCCc1occc1C(=O)Nc1ccccc1[C@@H]1CCC(=O)N1 585128527 DTENJWVKPVWZPZ-HNNXBMFYSA-N 312.369 3.436 0 40 DGAB O=C(Nc1ccccc1Cl)N(CCO)Cc1ccsc1 52121728 NVWXAAPQDQFCPK-UHFFFAOYSA-N 310.806 3.428 0 40 DGAB CO[C@H]1c2cc(OC(F)(F)F)ccc2O[C@H]2OCCC[C@H]21 257250593 JNEXMFPELZFFJF-ZWKOPEQDSA-N 304.264 3.418 0 40 DGAB Cc1cccc(O[C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 253475543 UXYGMUZOOUUVJO-DVQDXYAYSA-N 308.381 3.083 0 40 DGAB Cc1cncc([C@H]2CCCN2C(=O)CCc2cccs2)n1 257226804 FMGCQYNIFIVUGJ-OAHLLOKOSA-N 301.415 3.143 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@@H](C)Cc1c(F)cccc1F 54575296 JBNDYCLVFVKFHQ-JTQLQIEISA-N 322.355 3.250 0 40 DGAB Cc1ccc(CN(C)C2C[C@@H]3CC[C@H](C2)N3)c(Br)c1 97229681 SXJVEAPPUUXQJT-YIONKMFJSA-N 323.278 3.472 0 40 DGAB Cc1ccc(OCCNC(=O)COc2cccc(Cl)c2)cc1 5814544 KJESMBBLMWCZMQ-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB O=C(COc1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1 13079804 MULAEDQXJRNBSO-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCC(C)CC2)c1 13670230 QMNPXHDPZQLKHP-KRWDZBQOSA-N 318.461 3.001 0 40 DGAB Cc1cnc(C(=O)N[C@H]2[C@@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19239007 WDQXDRVEKYNEHE-NBMJBFSESA-N 321.424 3.487 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)Nc2c(C)n[nH]c2C)n(C)n1 153548039 MXYYXRKQXTUMDW-UHFFFAOYSA-N 324.388 3.379 0 40 DGAB CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@H](C(C)(C)O)O2 14679162 AOUZZRQCLQLQIF-OAHLLOKOSA-N 314.381 3.376 0 40 DGAB biogenic,in-vitro O=C(c1ccc2ccccc2n1)N1CCn2c1nc1ccccc12 2445741 SWSGWXFFOWHVAE-UHFFFAOYSA-N 314.348 3.245 0 40 DGAB CCOc1ccc(OCCC(=O)NCc2cccs2)cc1 3518782 WQOGRMXMQDQSDW-UHFFFAOYSA-N 305.399 3.232 0 40 DGAB Cc1nc(C(=O)NCCC2=CCCCC2)cc(C(F)(F)F)n1 1888843524 LHRHGSSWCVZWOE-UHFFFAOYSA-N 313.323 3.424 0 40 DGAB Cc1ccc(C(=O)N2CCC(N(C)c3ccccn3)CC2)cc1C 1889139409 JRBZJYDQVNBXIN-UHFFFAOYSA-N 323.440 3.439 0 40 DGAB Cc1nc(C)c(CN2CCC(c3nnc(C4CC4)o3)CC2)s1 1849302475 NGBBBJMVXGNPJP-UHFFFAOYSA-N 318.446 3.400 0 40 DGAB O=C(c1cc2ccccc2s1)N1CC(COc2cccnc2)C1 1775969179 ADQKBWNXESTTBY-UHFFFAOYSA-N 324.405 3.447 0 40 DGAB O=C(Nc1ccccc1-c1cn2ccsc2n1)c1ncccn1 206894432 SFRYHGMSIZWXCY-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB COC(=O)CCCC(=O)c1ccc(Br)c(F)c1 575362242 PHWRWSFEWMZDMR-UHFFFAOYSA-N 303.127 3.114 0 40 DGAB CC(C)[C@@H](Nc1ncnc2sc3c(c12)CCCC3)C(=O)O 237025 LIMVIAAFVRRCLD-GFCCVEGCSA-N 305.403 3.091 0 40 DGAB Clc1nc2ccccn2c1CNCc1ccc2c(c1)OCO2 40088644 NPATYSAFTFTCGS-UHFFFAOYSA-N 315.760 3.006 0 40 DGAB CN(C)[C@@H](CNC(=O)c1csc2c1CCCC2)c1ccco1 40161727 YLQVDPYQFYBZBD-AWEZNQCLSA-N 318.442 3.253 0 40 DGAB Clc1ccc(CNCc2ccc(-n3ccnc3)nc2)s1 30654655 BENGSXOYAALWPF-UHFFFAOYSA-N 304.806 3.272 0 40 DGAB COc1ccc(CN/C=C2/Sc3ccccc3NC2=O)cc1 100359811 VSPIFUPINZBLSV-LFIBNONCSA-N 312.394 3.371 0 40 DGAB C[C@H](N)C(=O)Nc1cccc(OCc2ccc(Cl)cc2)c1 32199672 SRVCPVNQBXHVIO-NSHDSACASA-N 304.777 3.205 0 40 DGAB CCCc1nn(C)c(C(=O)Nc2ccccc2OC)c1Cl 385491 LEXQWFWUZBSXRQ-UHFFFAOYSA-N 307.781 3.287 0 40 DGAB C[C@H](NCc1c[nH]nc1-c1cccs1)[C@H](C)n1cccn1 69368645 ZVSWDFXKYJTFKU-RYUDHWBXSA-N 301.419 3.074 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)cc(C)c2)c1 6610069 AOMWVOTYTHFRQD-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1cccc(NC(=S)NCCCN2CCC(C)CC2)c1 7027251 MUOZJVPLJQBZPI-UHFFFAOYSA-N 321.490 3.104 0 40 DGAB C[C@@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 7304064 HKDQQWONAJAJIA-GFCCVEGCSA-N 315.344 3.017 0 40 DGAB CCc1c(C)sc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1C(N)=O 102596396 DCHRNKYJQVKAOZ-NHCYSSNCSA-N 306.431 3.093 0 40 DGAB Cn1cc(C(=O)CSc2ccccc2Br)cn1 78055994 BMQVJJRYCMKZGP-UHFFFAOYSA-N 311.204 3.158 0 40 DGAB Cc1cccc(OCC(=O)NCCSc2ccccc2)c1 8361070 VBJWAKMJSKJPTB-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB O=c1c2[nH]c3ccc(F)cc3c2ncn1CCc1ccccc1 506227 VNDPUOQESGWKRP-UHFFFAOYSA-N 307.328 3.260 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2NC1=O 12237090 VARVHUJFGJEJAF-SECBINFHSA-N 316.744 3.312 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCOc1ccccc1C 55954647 GAJNYHQIGWVYMF-VAWYXSNFSA-N 311.381 3.212 0 40 DGAB Cc1cc(C(=O)N2CCOC[C@H]2C)c(C)n1Cc1cccs1 47665621 HAQAFIUVXXDTLN-CYBMUJFWSA-N 318.442 3.076 0 40 DGAB Cn1ccnc1COc1ccc(NC(=O)c2cccs2)cc1 42708776 NULRIPXQTQIPDW-UHFFFAOYSA-N 313.382 3.313 0 40 DGAB CS(=O)(=O)c1ccc(C(=O)CSc2ccc(F)cc2)cc1 42980920 CMCPPZSWXZDKKR-UHFFFAOYSA-N 324.398 3.204 0 40 DGAB CCc1ccc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)o1 24918596 SCEJXVPUQWDOSN-UHFFFAOYSA-N 316.386 3.260 0 40 DGAB C[C@H]1[N+]([O-])=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])C1(C)C 100314762 FRZVWIVLNUCYNM-CQSZACIVSA-N 308.381 3.166 0 40 DGAB CCCCC(=O)OCC(=O)Nc1cccc(Br)c1 3255604 JMIDYUHZEDLJRT-UHFFFAOYSA-N 314.179 3.121 0 40 DGAB COC[C@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 3379083 RKRNDJROEJMGDQ-AWEZNQCLSA-N 315.369 3.009 0 40 DGAB O=C(CSCc1ccc(F)cc1)Nc1ccc2c(c1)OCO2 20112257 RDSBQBOXTBCYSP-UHFFFAOYSA-N 319.357 3.426 0 40 DGAB CC(C)NC(=O)COC(=O)c1c(Cl)ccc(Cl)c1Cl 3312338 FJCNYAQXFAJTGQ-UHFFFAOYSA-N 324.591 3.328 0 40 DGAB COc1ccccc1-c1nc(C(=O)Nc2cc(C)on2)cs1 58292781 JHKASPCUBVASSC-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H](C)c2ccc(C)o2)n1 44951311 DEYBXKZNRJXJKH-XHDPSFHLSA-N 318.421 3.098 0 40 DGAB COc1cc(CNC(=O)N(Cc2cccs2)C2CC2)ccn1 45494925 STCABGHFHLPVIX-UHFFFAOYSA-N 317.414 3.026 0 40 DGAB C[C@@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1F 36684708 QEMDEGNGVRCZAZ-HABKJSAYSA-N 303.377 3.398 0 40 DGAB Cc1cccc([C@@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 48354101 YYKCVKUINFMAOF-WMZOPIPTSA-N 300.446 3.390 0 40 DGAB COc1ccc(NC(=O)CNc2cccc(Cl)c2)cc1OC 3411358 LWVVJMCHHJRJFL-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1cccc(F)c1 3512072 HOXBBKXSKYWRKH-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1nnc(NC(=O)Cc2c(Cl)cccc2Cl)s1 3557781 LHMLJKZPQZNTTP-UHFFFAOYSA-N 302.186 3.335 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1C 12977856 LGIQHRZQGJFZSS-OAHLLOKOSA-N 320.396 3.375 0 40 DGAB CCN(Cc1nc(O)n[nH]1)[C@H](C)c1cccc(C(F)(F)F)c1 91550957 RQKAPMFKSHUPCH-SECBINFHSA-N 314.311 3.112 0 40 DGAB COc1ccc(C(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8406300 GDENMOBDGHMEKU-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB Fc1ccc(Cl)c(-c2nnc3sc(-c4ccn[nH]4)nn23)c1 49547181 ILQXCULGDFDJRF-UHFFFAOYSA-N 320.740 3.035 0 40 DGAB Cc1cc2ncc([C@H](C)NCc3sc(C)nc3C)c(C)n2n1 91728949 TXURDTCBZLYDDS-JTQLQIEISA-N 315.446 3.270 0 40 DGAB CC(C)(C)Cc1nc2cc(NC(=O)N3CCOCC3)ccc2o1 69619642 MSNLNJKMMJJBLO-UHFFFAOYSA-N 317.389 3.281 0 40 DGAB CCOc1ccc(CN(C)C(=O)Cn2cnc3ccccc32)cc1 14214696 KTKVGIGWILRFMK-UHFFFAOYSA-N 323.396 3.094 0 40 DGAB C[C@@H](NC(=O)C[C@](C)(O)C(F)(F)F)c1ccccc1Cl 14241758 FDACVLWNJYYLLA-PELKAZGASA-N 309.715 3.221 0 40 DGAB CC[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(OC)cc1 8725248 DDJGTIZRJFQXKC-OAHLLOKOSA-N 309.369 3.453 0 40 DGAB COc1ccc(C[C@H](C)N[C@H]2CCO[C@]3(CCSC3)C2)cc1 90542657 NIFDFUUUBICVFU-QILLFSRXSA-N 321.486 3.271 0 40 DGAB CC(C)[C@H](NCC(=O)N(C)Cc1ccco1)c1ccc(F)cc1 16046945 YSPXPJPRRXAVIW-SFHVURJKSA-N 318.392 3.364 0 40 DGAB Cn1c(SC[C@H]2CC2(Cl)Cl)nnc1-c1cccnc1 9154678 WUGSJJSQEGEJRR-SECBINFHSA-N 315.229 3.163 0 40 DGAB Cn1cc(Nc2ncnc3cc(F)c(Br)cc23)cn1 96011533 LQAHDASIPJRUBH-UHFFFAOYSA-N 322.141 3.009 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2cccc(C)n2)cc1 97037068 PSEWWLBNSHFHSF-ZDUSSCGKSA-N 319.430 3.325 0 40 DGAB O=C(Cc1ccccc1F)NCc1coc(-c2ccccc2)n1 96423235 HELDGCGOGIEKBX-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB CC1(C)Cc2cc(CNC[C@H]3CCCn4ccnc43)ccc2O1 84673777 ADZRWFFBANRUMC-OAHLLOKOSA-N 311.429 3.264 0 40 DGAB O=C1[C@H](SCc2ccon2)CCCN1c1ccccc1F 95448529 LNURTVNRBSZGPA-CQSZACIVSA-N 306.362 3.243 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1 95989783 RZIIGWXIRXNDQA-LBPRGKRZSA-N 311.696 3.018 0 40 DGAB COC[C@H]1CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C1 89409949 MCFSSNSQENAEKJ-ZDUSSCGKSA-N 312.413 3.155 0 40 DGAB CCOc1cc(CNC[C@@H]2CCCO2)ccc1OCC(C)C 60806378 CGSYJENPOMPQKB-INIZCTEOSA-N 307.434 3.389 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2cccc(F)c2)CC1 408708423 ZOGFDSLFVIEADR-UHFFFAOYSA-N 320.408 3.485 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)nc1)c1ccccc1F 32930632 ZBMOSLLFEWKTJL-UHFFFAOYSA-N 314.238 3.414 0 40 DGAB Cn1c(=O)c(/C=C/C(=O)Nc2ccc(F)cc2)cc2ccccc21 36625768 CRLYHLXLLKSCPK-IZZDOVSWSA-N 322.339 3.330 0 40 DGAB CC(C)OCc1cccc(S(=O)(=O)N2CCC[C@H](C)C2)c1 72264811 NILDHHGXLWJWKM-AWEZNQCLSA-N 311.447 3.032 0 40 DGAB O=C(CSCc1ccccc1)N1CCC2(CC1)OCCS2 70637265 FFTVNFZRIOTOGV-UHFFFAOYSA-N 323.483 3.002 0 40 DGAB C[C@H](CN(C)C(=O)c1[nH]ncc1Br)c1ccccc1 78928899 DLIGPPMXXDQZIZ-SNVBAGLBSA-N 322.206 3.048 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)[C@@H](C)c1ccc(Cl)s1 79583794 PCSVETWZXSUHKD-VIFPVBQESA-N 310.806 3.151 0 40 DGAB CCCCN1CCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 72219346 CAVHLMCWEMFQRB-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB Cn1ccc2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)ccc21 40287542 GUQVBACBWYFOHA-IBGZPJMESA-N 320.392 3.392 0 40 DGAB CC(C)(Cc1ccccc1)NC(=O)COc1ccc(F)cc1 225018214 GDNZBBGMSMXWKH-UHFFFAOYSA-N 301.361 3.342 0 40 DGAB COc1ccc(CNc2cc(C)ccc2N2CCOCC2)cc1 226240555 CKZUZQJNDUPASR-UHFFFAOYSA-N 312.413 3.452 0 40 DGAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1cnccn1 223910340 RJCVYFUGVNFGDH-UHFFFAOYSA-N 310.382 3.223 0 40 DGAB O=C(c1cccc2ccccc12)N1CCN(CC(F)(F)F)CC1 44225724 HOOWTBIOGWJBJO-UHFFFAOYSA-N 322.330 3.160 0 40 DGAB CCOc1ccc(C(=O)NCCCN2CCCCCC2)cc1C 225746157 OWEPZUJRJWCBHY-UHFFFAOYSA-N 318.461 3.390 0 40 DGAB CC(C)Oc1cccc(NC(=S)NCc2ccncc2)c1 225334388 BSSFQHARJQWMEW-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB CCN(c1cc(C)ccc1C)S(=O)(=O)c1cnccc1C 331300712 DVPDPKFCNIIMJB-UHFFFAOYSA-N 304.415 3.222 0 40 DGAB C[C@H](NC(=O)[C@@H](C)C(=O)N[C@H](C)c1ccccc1)c1ccccc1 239415273 UCNOMWONTGPGPR-MUJYYYPQSA-N 324.424 3.377 0 40 DGAB C[C@@]1(C(=O)N2CCCCCC2)CC(c2ccccc2F)=NO1 96192686 QWBNETHHHYSLOJ-KRWDZBQOSA-N 304.365 3.111 0 40 DGAB CCc1ncncc1C(=O)OCc1cc(C)nc2ccccc12 96442143 JSUNJKKEIBKKIS-UHFFFAOYSA-N 307.353 3.253 0 40 DGAB C[C@H](Oc1ccc(OCc2cccc3cccnc23)cc1)C(N)=O 96428992 QERDRXMDYWPGAG-ZDUSSCGKSA-N 322.364 3.066 0 40 DGAB O=C1OC2(CCCCC2)CN1c1cccc([C@@H]2CCCNC2)n1 257270696 MVHBHZMHUZYXLP-CQSZACIVSA-N 315.417 3.208 0 40 DGAB CN(C)CCc1ccc(NC(=O)Cc2cccnc2Cl)cc1 585120901 VIRYCUCJJKHPCS-UHFFFAOYSA-N 317.820 3.020 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@H](c4cnccn4)C3)cc2c1 257298836 RNLPCNDVNGMJQY-AWEZNQCLSA-N 322.412 3.346 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCC[C@H](C)C2)cc1C 260798237 QMRLFIRUHNYJSB-INIZCTEOSA-N 316.489 3.474 0 40 DGAB COc1cccc(Br)c1OC(=O)c1ccccn1 89471451 CKHYMYQAJGMFHN-UHFFFAOYSA-N 308.131 3.072 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2C(=O)O)sc2cccc(F)c12 37435098 YBPGNCLBIIWKLM-SNVBAGLBSA-N 307.346 3.038 0 40 DGAB CCOc1ccc([C@H]2NCCc3cc(OC)c(OC)cc32)cc1 34917 QWYUPEMJGJVOFD-LJQANCHMSA-N 313.397 3.338 0 40 DGAB biogenic COc1cccnc1NC(=O)N1CC[C@H](c2ccc(F)cc2)C1 574892159 VFWYAZIGSNBPCF-ZDUSSCGKSA-N 315.348 3.251 0 40 DGAB CCc1cc(C(=O)Nc2ccccc2Br)ncn1 1888860268 JRUXRZKIAJQVLL-UHFFFAOYSA-N 306.163 3.054 0 40 DGAB Cc1nnsc1C(=O)NCc1cc(-c2ccoc2)cs1 1775969716 HYWQAGZIPHCIBJ-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB Cc1ccc(NC(=O)[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1Cl 5547229 PQSQLOYLDOQRNY-OAACRXHESA-N 305.761 3.110 0 40 DGAB C[C@@H](NC(=O)CCc1ccncc1)c1ccc2c(c1)CCCO2 19458871 UHOQKTQJGIXUSU-CQSZACIVSA-N 310.397 3.217 0 40 DGAB Cc1cc(Cl)ccc1CNc1cc(C(=O)N(C)C)ccn1 158834620 YEKOYEZSPVSMEY-UHFFFAOYSA-N 303.793 3.357 0 40 DGAB Cc1ccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)c(C)c1 3367216 ALGLRQJWJSXPNO-LLVKDONJSA-N 321.427 3.306 0 40 DGAB O=C(Nc1ccc(F)cc1Cl)c1ncnc2c1CCCC2 1888859574 VFVHJALLGMHGDI-UHFFFAOYSA-N 305.740 3.400 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1ccc2nc(C3CC3)cn2n1 1888904198 QLGBOUJCSMTPQK-UHFFFAOYSA-N 314.295 3.137 0 40 DGAB CC(=O)N1CCC[C@H]1CCc1ccc(NC2CCCC2)nc1 1848355183 SWACLYNZVHMXGV-KRWDZBQOSA-N 301.434 3.380 0 40 DGAB Cc1ccc(O)c(C(=O)NCCCn2ccc3ccccc32)c1 24838443 KKHOPYIYZBJBJG-UHFFFAOYSA-N 308.381 3.475 0 40 DGAB CCOC(=O)C[C@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C 953018924 IWWLBTIYDLXXED-GOEBONIOSA-N 319.401 3.234 0 40 DGAB CCCNC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147353 UQQZDWMYTVLEFZ-UHFFFAOYSA-N 317.389 3.271 0 40 DGAB Cc1cc(C)cc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1 12414631 CEDZPUKZRRZJCZ-UHFFFAOYSA-N 308.337 3.103 0 40 DGAB CCc1nccn1CC1CN(C(=O)c2cc(F)cc(Cl)c2)C1 1849757507 JRENEYWZHRNOCW-UHFFFAOYSA-N 321.783 3.010 0 40 DGAB Cc1nnsc1C(=O)NCc1ccc(-c2ccsc2)o1 575610118 KGZYZYYBKPLUPK-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1ccnn1C(C)C 40460235 LFWRXICBWWSLEQ-ZDUSSCGKSA-N 316.405 3.302 0 40 DGAB CCCc1cc(=O)oc2cc(OCC(=O)OC(C)C)ccc12 82628 RJIRAKGXKNVGEU-UHFFFAOYSA-N 304.342 3.076 0 40 DGAB C[C@]12CNC[C@@](C)(CN(Cc3cccc(Br)c3)C1)C2 346461 QPIQUDOMAVCFPU-HOTGVXAUSA-N 323.278 3.271 0 40 DGAB CCCc1noc([C@H](C)S(=O)(=O)Cc2cc(C)ccc2C)n1 46174162 HAOMEDSWYLNUKG-ZDUSSCGKSA-N 322.430 3.315 0 40 DGAB O=C(NCc1cccnc1)c1csc(-c2ccsc2)n1 29631328 LDDSLDDZQRXGHR-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB CCCC(=O)Nc1cc(OC)c(NC(=O)CCC)cc1OC 1324298 YRNRGMHYSCUQFD-UHFFFAOYSA-N 308.378 3.181 0 40 DGAB Cc1ccnc(N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)n1 1358054 KBDCAYIUSREJMD-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc3c(cc2Cl)OCO3)c1 32496075 APMGRCFGSFDLIC-UHFFFAOYSA-N 319.744 3.395 0 40 DGAB CN(C)C(=O)Nc1cccc(COCCOc2ccccc2)c1 69739868 XJXJYVRXKSLPBI-UHFFFAOYSA-N 314.385 3.376 0 40 DGAB Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)OCCO 32823655 ZTLXUVUMRPTXIR-UHFFFAOYSA-N 307.349 3.359 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 32869093 QWSTVKJTLKIAAV-CQSZACIVSA-N 309.413 3.376 0 40 DGAB Cc1noc([C@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1 52862906 KLGGAISSGFCNBE-LBPRGKRZSA-N 304.394 3.043 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 100616353 XHCQPQMOYOZWIE-QQXRRDQMSA-N 308.164 3.305 0 40 DGAB COc1ccc2c(c1)c([C@H](O)CN1CCCCC1)c(C)n2C 502255 AVSAXCZPGFNWGW-QGZVFWFLSA-N 302.418 3.015 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1 101275100 KOUFTLLGAVRNBH-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB COc1c2c(cc3c1[C@@H](Nc1ccccc1)N(C)CC3)OCO2 12296750 NNFDBERKOGOXLM-SFHVURJKSA-N 312.369 3.023 0 40 DGAB biogenic CCOC(=O)c1csc(NC(=O)c2c[nH]c3ccccc23)n1 71285709 WDFBHIXDZLJFRQ-UHFFFAOYSA-N 315.354 3.053 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2O)cc1 21596402 CHIRYCKSSMGTCC-UHFFFAOYSA-N 314.410 3.390 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1Cn1cccn1 105679635 MSBQUUHRPDLESK-TXPKVOOTSA-N 323.440 3.374 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(OC)c(Cl)c2)[C@H](C)C1 76058042 LHQOQJSQXCEWSV-DOMZBBRYSA-N 324.852 3.085 0 40 DGAB Cc1ccc(Cl)c2sc(NCCN3CCOCC3)nc12 26424184 QTEZJDAGVIXDFR-UHFFFAOYSA-N 311.838 3.002 0 40 DGAB C[C@@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2ccncc2)cc1 108352927 JDMPCDQRZCXDOC-CODKJTEISA-N 322.408 3.493 0 40 DGAB O=C(NC1CC1)c1ccc(NC(=O)c2ccccc2Cl)cc1 12755667 HERSIOAQUKBXMS-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)N2CCCCCC2)c1 45720502 BUENFCZNNHQGDB-ZDUSSCGKSA-N 303.406 3.292 0 40 DGAB CCOC(=O)CCC(=O)Nc1nc2ccc(CC)cc2s1 12750325 OPVGKYZGORHRPC-UHFFFAOYSA-N 306.387 3.141 0 40 DGAB C[C@H](NC(=O)c1ccc(C(F)(F)F)nc1O)c1cccs1 48265154 ZHRMIPLAFFPFLZ-ZETCQYMHSA-N 316.304 3.359 0 40 DGAB Cc1noc(-c2cc(N3CCCC3=O)cc(C(F)(F)F)c2)n1 113743866 DKGOHVWKOLDWBI-UHFFFAOYSA-N 311.263 3.191 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2ccccn2)cs1 8643011 BMNPUSRRBVOBSZ-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB CCCOc1cccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)c1 66159130 VUXSRJQESRUJGC-MRXNPFEDSA-N 317.433 3.177 0 40 DGAB CCOC(=O)c1ccccc1N(CC)C(=O)c1cncc(C)c1 80331355 FJWIWFVLVIWKSD-UHFFFAOYSA-N 312.369 3.233 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1 7706169 OWRUSJRUIRYVAM-CQSZACIVSA-N 306.369 3.101 0 40 DGAB CCc1ncc(C(=O)N2CCCCC[C@@H]2c2noc(C)n2)s1 96001133 QNBBKLVDQARIBR-LLVKDONJSA-N 320.418 3.154 0 40 DGAB Cc1ccc(-c2nnn(CN(C)[C@@H](C)c3ccccc3)n2)cc1 9315010 XYIFRTQHIFCRFS-HNNXBMFYSA-N 307.401 3.299 0 40 DGAB CCC(CC)n1nccc1C(=O)Nc1cc(C(=O)O)ccc1F 97036161 BDJYSYBIRDVULA-UHFFFAOYSA-N 319.336 3.334 0 40 DGAB O=C(Nc1cccn(Cc2ccccc2)c1=O)c1ccsc1 96461682 BRSIDPRFAUPYQV-UHFFFAOYSA-N 310.378 3.210 0 40 DGAB Cc1cc(CSc2ncccc2C(=O)N[C@@H](C)C2CC2)no1 9576985 HDUBFRVQMGYKIY-NSHDSACASA-N 317.414 3.199 0 40 DGAB Cc1nc(S[C@@H]2CCN(c3ccccc3F)C2=O)oc1C 71899877 FFUXQICDFKQUNB-CYBMUJFWSA-N 306.362 3.328 0 40 DGAB CN1CC[C@@H](CN(C)C(=O)c2sccc2SC(F)F)C1 72271274 ADQOYTBRTBGIEW-SECBINFHSA-N 320.430 3.087 0 40 DGAB Cc1cccc([C@@H]2CCCCCN2C(=O)Cc2cnn(C)c2)c1 71910493 CHOARGUFUKUFBM-SFHVURJKSA-N 311.429 3.415 0 40 DGAB C[C@H]1CN(C(=O)CC2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C 72293554 MEUHIWPWIBOXLB-DZGCQCFKSA-N 324.465 3.328 0 40 DGAB C[C@@H](NC(=O)NCCc1ccnn1C)c1ccc2ccccc2c1 97140432 JKZBGNCOQNCZJK-CQSZACIVSA-N 322.412 3.176 0 40 DGAB C[C@H](Cc1ccc(O)cc1)NC(=O)c1coc(Br)c1 95427630 KIPSJTPBAFCGNZ-SECBINFHSA-N 324.174 3.109 0 40 DGAB O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCc2cnccc21 98015813 FIVADSUYRSKZNH-XLIONFOSSA-N 304.393 3.265 0 40 DGAB O=C1CN(c2ccccc2)C(=S)N1c1ccccc1Cl 98072985 FFNCEVABRSXNHO-UHFFFAOYSA-N 302.786 3.478 0 40 DGAB COCC(=O)N(C)[C@H](C)c1ccc(-n2cnc3ccccc32)cc1 73783407 QKIMAQYLVJBLRV-CQSZACIVSA-N 323.396 3.191 0 40 DGAB CCOCc1nnc(NCc2sccc2Br)o1 95943128 XTANSKCCUCMDIC-UHFFFAOYSA-N 318.196 3.042 0 40 DGAB CC[C@H](N[C@@H]1CCCN(c2ccccc2OC)C1)[C@H]1CCOC1 95968136 GAGWBBBUQOSSBC-BBWFWOEESA-N 318.461 3.069 0 40 DGAB C[C@@H]1CN(CCCNCc2csc3ccccc23)C[C@@H](C)O1 95947339 JBEVQWYLGBCOOJ-HUUCEWRRSA-N 318.486 3.490 0 40 DGAB Cc1nc(C)c(C(=O)N2CC[C@@H](Oc3cccc(Cl)c3)C2)o1 89763821 SGKCMJJCSMUYST-CQSZACIVSA-N 320.776 3.238 0 40 DGAB Cc1ccc(C(=O)N2CCn3c(-c4cccs4)cnc3C2)o1 306134897 OAXUNWINFYCOEL-UHFFFAOYSA-N 313.382 3.169 0 40 DGAB CCOC(=O)c1ccc(NC(=O)CNc2ccccc2C)cc1 67849385 PEVQICGFGYJDIS-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(Cl)c(Cl)c1 409383598 XXRFXLXSJJUGPL-DUBDDPSESA-N 322.191 3.301 0 40 DGAB Cc1c(C(=O)Nc2ccccc2N2CCCCCC2)cnn1C 31097977 UGYUCKSWRBJHMS-UHFFFAOYSA-N 312.417 3.361 0 40 DGAB O=C(N[C@@H]1CCCOc2cc(F)ccc21)NC1(C2CC2)CC1 537563302 QKJPLMRODOIJDB-CQSZACIVSA-N 304.365 3.281 0 40 DGAB O=C(NCc1ccccc1)NC[C@H](O)c1cccc2ccccc12 70636279 PDCVGYQKXIJMGP-IBGZPJMESA-N 320.392 3.373 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)NC1CCCCCCC1 225721107 IGSUJUVLYMQDGJ-UHFFFAOYSA-N 312.413 3.231 0 40 DGAB CC(C)N1CC[C@H](c2nnc(Cc3c[nH]c4ccccc34)o2)C1 49169787 CQJIGEISZRJJJL-ZDUSSCGKSA-N 310.401 3.339 0 40 DGAB biogenic,in-vitro CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCC 224775451 DRPBMLOLMQLWHJ-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB Nc1ncc(-c2nc(-c3ccccc3Br)no2)s1 89263069 MIWIXGXGDZVMSW-UHFFFAOYSA-N 323.175 3.205 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NCC(C)C 224773177 HPPWDKBEOZUGRK-MRXNPFEDSA-N 322.424 3.115 0 40 DGAB COCc1cc(Cl)ccc1NC(=O)N[C@@]12C[C@H]1COC2(C)C 529124777 SXZLEYHDDLLUMB-ZBEGNZNMSA-N 324.808 3.175 0 40 DGAB C[C@@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)C1CC1 194943987 FRLCQNFSZGKWHV-GFCCVEGCSA-N 303.377 3.293 0 40 DGAB COc1ccc(OC)c(C[C@H](Oc2cccc(C)c2)C(=O)O)c1 225114452 CYNQRKMWRMENTQ-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB Cc1ccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)c(C)c1 224297769 MZFQFQHTKDOUBT-UHFFFAOYSA-N 313.405 3.420 0 40 DGAB C[C@H]1c2ccccc2CN1C(=O)N=c1nc(C(C)(C)C)[nH]s1 331751657 GANHZPNNTXMUSK-JTQLQIEISA-N 316.430 3.366 0 40 DGAB Cc1ccc(CNC(=O)NCCc2cc3ccccc3o2)cn1 96417638 OQFJYPDLPCGSJO-UHFFFAOYSA-N 309.369 3.178 0 40 DGAB Cc1ccc([C@H]2CCCN2CCCS(=O)(=O)C(C)C)cc1 96467010 UCLWBJGPRNYOOL-QGZVFWFLSA-N 309.475 3.345 0 40 DGAB COc1ccc(NC2CCN(C(=O)CC(C)(C)C)CC2)c(C)n1 96494927 MAMOOYXMJQLITD-UHFFFAOYSA-N 319.449 3.238 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](C)N([C@@H](C(=O)O)c2cccnc2)C1 583505314 AHORMFMWEVRMHI-YXJHDRRASA-N 310.397 3.394 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@@H]2CCCO2)c(C)o1 252484452 FWOSYSRPIKNZCO-MAZHCROVSA-N 306.406 3.310 0 40 DGAB O[C@]12N=C3CCCC[C@@H]3[C@@]1(O)c1ccccc1-c1ccccc12 253573873 RXOQDDUDMAFGCY-IHPCNDPISA-N 305.377 3.345 0 40 DGAB COc1cncc(C(=O)Nc2onc(C3CCCCC3)c2C)n1 297912750 XCXAKFHHAUHZIW-UHFFFAOYSA-N 316.361 3.082 0 40 DGAB CC(C)CN1C[C@H](C(=O)N2CCC[C@@H]2C2CCCCC2)CC1=O 58181181 QGZBDHSWLNYKAK-IAGOWNOFSA-N 320.477 3.062 0 40 DGAB FC(F)(F)c1ccnc(C2=N[C@H](Cc3ccccc3)CO2)c1 1988182124 XRYUZAIXSTXRQH-CYBMUJFWSA-N 306.287 3.489 0 40 DGAB CCCc1n[nH]c(=S)n1CC(=O)Nc1ccc2c(c1)CCC2 12211512 BJPKMLWOIPBJKC-UHFFFAOYSA-N 316.430 3.021 0 40 DGAB CN1CCCc2cc(CCNC(=O)c3cccs3)ccc21 13006675 QPUWTJNCUJNVKX-UHFFFAOYSA-N 300.427 3.103 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 13166196 ZJBZGFYBIQTIMS-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB Nc1nc2c(Cl)cc(I)cc2s1 15442787 ILOMUEXHDHLIIF-UHFFFAOYSA-N 310.547 3.137 0 40 DGAB O=C(COc1cccc2ccccc12)NCCOc1ccccc1 15555176 POYXDQJLHMTJEW-UHFFFAOYSA-N 321.376 3.414 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccccc1Cl 16450371 CTMLSUUPODSITB-LLVKDONJSA-N 318.760 3.302 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)N[C@@H](C)Cc2ccccn2)cc1C 19214197 QSPRVNHLOWYRKE-HOTGVXAUSA-N 312.413 3.213 0 40 DGAB O=C(c1cscn1)N1CCC[C@H](c2cc3ncccc3cn2)C1 19347368 QMKGKOYBVDCYMK-ZDUSSCGKSA-N 324.409 3.106 0 40 DGAB COc1cc(NC(=O)c2cnc(C)nc2C)c(OC)cc1Cl 19937127 DRFCJMRZNOCOHO-UHFFFAOYSA-N 321.764 3.016 0 40 DGAB CCCc1nnc(S/C(=C\c2ccc(C)cc2)C(=O)O)[nH]1 7342262 VSNHTQRORNPGNQ-XFXZXTDPSA-N 303.387 3.283 0 40 DGAB COc1cccc2sc(N3C[C@H]4CCCC[C@]4(CO)C3)nc12 1888870165 LQQXOABYSWODJF-SJKOYZFVSA-N 318.442 3.294 0 40 DGAB Fc1ccc(CN2CCC[C@@H](c3nc(C4CC4)no3)C2)cc1 1889108891 LFMNBKCHAPNKGN-CQSZACIVSA-N 301.365 3.466 0 40 DGAB Cc1nc(C2(NC(=O)c3ccc(C)s3)CCCCC2)no1 26491354 VGJLZQKXKNZSTP-UHFFFAOYSA-N 305.403 3.337 0 40 DGAB O=C(CCSc1ccccc1)NC[C@@H](O)c1ccsc1 56906282 GRRAORAXRQTERV-CQSZACIVSA-N 307.440 3.080 0 40 DGAB O=C(NCC[C@@H](O)c1ccoc1)NCc1cccc2ccccc12 90613377 LDEGNCSOCUQPAQ-GOSISDBHSA-N 324.380 3.356 0 40 DGAB CN1CCN(C(=O)c2ccc3c(c2)CCC3)[C@@H](c2ccccc2)C1 30029711 DIBRSFQYCUMOEX-HXUWFJFHSA-N 320.436 3.304 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(Cl)cc2F)C1 40107595 AIZIHTVOFCCXMT-VXGBXAGGSA-N 312.816 3.187 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccccc2C)cc1 51356345 MRTYYAKRLOIPAQ-OAHLLOKOSA-N 311.381 3.338 0 40 DGAB CCc1nc2ccccc2c(C(=O)OCc2nnc(C)o2)c1C 7790585 PARZALSFULPOQG-UHFFFAOYSA-N 311.341 3.154 0 40 DGAB CCOCc1ccc2oc(C(=O)OCCN(CC)CC)cc2c1 2478039 WBTKBNQZRCBGPI-UHFFFAOYSA-N 319.401 3.468 0 40 DGAB CCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 316514 WAAQLXYWGFGFFQ-FQEVSTJZSA-N 323.392 3.131 0 40 DGAB COc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCCC1 2697021 TUVAHHWVCHMCKF-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB COC(=O)c1ccc(OC)cc1OCc1cc(C)ccc1OC 32741509 GHHRESGFMWSWTD-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccn(-c2ccc(F)cc2)n1 32832977 ZVLQCLMAJGRYEJ-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)c2ccccc2n1 46492732 DIXOVTIXBBPAOD-QZTJIDSGSA-N 310.397 3.327 0 40 DGAB Cc1nn(CCOC(=O)c2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 488519 ARIKICOTWYDOBE-RHSMWYFYSA-N 310.397 3.344 0 40 DGAB biogenic CC[C@H](CO)NCc1ccc(OCc2cccs2)c(OC)c1 8337076 WACZRYDVZAAEEL-CQSZACIVSA-N 321.442 3.196 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)c1 52915477 MYLHYEVDLIRNCC-RHSMWYFYSA-N 300.402 3.440 0 40 DGAB COc1ccc(-c2cc(-c3ccccc3)n3ncnc3n2)cc1 520873 LORDMKGLLKRCJP-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB C[C@@H]1[C@@H](NC(=O)CCC(=O)NCc2ccccc2)CCC[C@H]1C 103139425 WUSXKSAGEZGWMQ-VYDXJSESSA-N 316.445 3.024 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(C)c(C)cc1C 89948810 ANJFSDCCNSLWOK-HKUYNNGSSA-N 302.462 3.348 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1ccc2nccnc2c1 47178765 FCECVLGMUVVERA-UHFFFAOYSA-N 323.352 3.046 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N[C@H](C)c3cccs3)ccc21 23436350 PJGQGRGRQFJULG-LLVKDONJSA-N 314.410 3.148 0 40 DGAB COC(=O)Cc1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106524208 XHIASPKZJLTPAR-KKUMJFAQSA-N 301.386 3.167 0 40 DGAB Fc1cccc(Nc2nnc(Sc3ncccn3)s2)c1 25064141 CZHPSGFKLFQYBA-UHFFFAOYSA-N 305.363 3.362 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)NCc2ccc(F)cc2)cc1 1402028 KHRGPKQUWMNWBU-ZHACJKMWSA-N 305.374 3.224 0 40 DGAB CCN(C(=O)CCNC(=O)c1ccccc1C)C1CCCCC1 25251091 CUXOQRGBSBXPLT-UHFFFAOYSA-N 316.445 3.296 0 40 DGAB CCC(=O)Nc1ccc(C)c(NCC(=O)N2CCC[C@H](C)C2)c1 55848591 PUTWUFSHUJMCBY-ZDUSSCGKSA-N 317.433 3.014 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cc2c1 56193925 WNYWMFCWRZPSTL-ZWKOTPCHSA-N 310.397 3.245 0 40 DGAB COc1cc(CN[C@@H]2CCCCC[C@H]2CO)c2c(c1)C[C@@H](C)O2 108102336 OPPGHKUGMBFOAI-QWQRMKEZSA-N 319.445 3.049 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1CC(C)(C)C 57774856 YTHOGQAHNKQVHZ-OAHLLOKOSA-N 306.454 3.261 0 40 DGAB Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2C=O)c1C 27021866 LBGAGMZKVSVYCF-UHFFFAOYSA-N 308.337 3.225 0 40 DGAB COc1cc([C@@H](C)NC(=O)Nc2cn[nH]c2)ccc1OC(C)C 44970180 PPMVGOMALJRSOZ-LLVKDONJSA-N 318.377 3.088 0 40 DGAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(O)c2)N3)C1 2492936 MLSHBEREGCKTBW-PSLIRLAXSA-N 314.410 3.433 0 40 DGAB O=C(NCCC1=CCCCC1)Nc1ccc(-n2ccnc2)nc1 48333384 YOIRVVPIAWTASB-UHFFFAOYSA-N 311.389 3.279 0 40 DGAB O=C(CN1CCC[C@H]1Cc1ccccc1)N1CCc2ccccc21 12819863 CWMIPOGRXBTDLB-IBGZPJMESA-N 320.436 3.283 0 40 DGAB COc1ccccc1-c1nn(Cc2ccccc2)cc1C(=O)O 3407153 VNWXVSPXKCCXQN-UHFFFAOYSA-N 308.337 3.305 0 40 DGAB CSCC[C@@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 8657365 FCZOSUGUQHGZSO-CYBMUJFWSA-N 315.398 3.380 0 40 DGAB c1ccc([C@H]2CO[C@H]3CC[C@@H](n4nnc5ccccc54)N32)cc1 63110717 WMDJEWDGKBLINT-KURKYZTESA-N 306.369 3.123 0 40 DGAB C[C@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)o2)C(=O)O1 8271426 UVBKASCFKGGADD-QPUJVOFHSA-N 315.354 3.014 0 40 DGAB CC[C@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 69845543 FSKKYLXMHPPVGJ-VHSXEESVSA-N 313.348 3.049 0 40 DGAB COCc1nc(C(=O)N2CCCCc3ccccc32)cs1 65054476 IDWJLISYJFVXPB-UHFFFAOYSA-N 302.399 3.273 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCC3)c1 14163836 HZVDJADWJCOHAJ-UHFFFAOYSA-N 308.381 3.177 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)NCc1ccccn1 17167961 SPFSIDHPDPNMBT-UHFFFAOYSA-N 303.365 3.382 0 40 DGAB C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)cc1 4590214 RPDIQURGTSGHIT-JTQLQIEISA-N 318.236 3.012 0 40 DGAB CC(=O)c1cccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)c1 14230137 MNYKVXFQAKWTNS-MRXNPFEDSA-N 321.461 3.433 0 40 DGAB COc1cc(CNC(=O)N(C)CC(C)C)ccc1OC(F)F 65987856 DFIGKEFYDKCJMM-UHFFFAOYSA-N 316.348 3.094 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 4743710 ICPJEETURVEFIB-GASCZTMLSA-N 300.446 3.482 0 40 DGAB COc1ccc(SCc2cc(=O)n3c(C)cccc3n2)cc1 6852029 ZHGKOJYICCTPKB-UHFFFAOYSA-N 312.394 3.304 0 40 DGAB CC(C)(C)OC(=O)NCC(=O)Nc1cccc2c1CCCC2 67143012 JDPJMIZYXVELIA-UHFFFAOYSA-N 304.390 3.029 0 40 DGAB COc1ccc(NC(=O)CSc2nc(C)c(C)c(C)n2)cc1 7253395 WPGNSAISOWCTMM-UHFFFAOYSA-N 317.414 3.141 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CN(C)C2CCC(C)CC2)c1 8733864 QXYGYBAHVAGNCX-UHFFFAOYSA-N 317.433 3.094 0 40 DGAB Cc1ncsc1CCN1CCC[C@H](c2noc(C3CC3)n2)C1 78890821 WKXYJOLGFVBULF-ZDUSSCGKSA-N 318.446 3.134 0 40 DGAB C[C@H](NC(=O)CCC1CCCC1)c1ccc(S(C)(=O)=O)cc1 9113386 QLKCCIVXQBGRHI-ZDUSSCGKSA-N 323.458 3.238 0 40 DGAB CC[C@H](C)N(CC(=O)Nc1cccc(C)c1C)C(=O)N(C)C 96007780 RSBRMWMKSQLWHA-ZDUSSCGKSA-N 305.422 3.024 0 40 DGAB CCOCCOc1ccccc1C(=O)Nc1cc(N)ccc1C 19736712 LCLXQOXIZMMSEF-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCCC[C@@H]2C(C)C)c(=O)[nH]1 71799614 NTSSHXROYZIWJX-GDBMZVCRSA-N 319.449 3.006 0 40 DGAB CCc1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 19910687 BNOCRSLLDNOVSH-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cc1ccccc1NC(=O)Nc1ccccc1CN1CCNC1=O 97113878 NRLWEJRQFBTIDT-UHFFFAOYSA-N 324.384 3.164 0 40 DGAB O=C(Nc1ccncc1F)N[C@@H]1CCCN(c2ccccc2)C1 97135598 HYJRUZFHAPNDOT-CYBMUJFWSA-N 314.364 3.011 0 40 DGAB O=C1C[C@@]2(CCSC2)C(=O)N1Cc1cc2ccccc2s1 97114884 MHWJZXGRNIBSSL-MRXNPFEDSA-N 317.435 3.284 0 40 DGAB COC(=O)c1cccnc1N1CCC[C@@H](c2nc(C)cs2)C1 97140675 GVFNAVAWXGCJLH-GFCCVEGCSA-N 317.414 3.017 0 40 DGAB COCCNc1ccccc1CNC(=O)CC1=CCCCC1 83911666 IVWTZGHVEDUQLW-UHFFFAOYSA-N 302.418 3.252 0 40 DGAB CCCCc1nnc(NC(=O)c2cccnc2SC)s1 9766431 YDMJJYOKRZZNCT-UHFFFAOYSA-N 308.432 3.250 0 40 DGAB C[C@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 78952287 PLHDCGLDOZTBEA-NXHRZFHOSA-N 315.461 3.058 0 40 DGAB C[C@@H](CC[C@H]1CCCO1)NCc1cccc2c1OCCCO2 95393608 YPKWTKUVHDVFOP-GOEBONIOSA-N 305.418 3.285 0 40 DGAB C[C@H]1CN(C(=O)CCc2cccnc2)[C@H](c2ccccc2)CO1 84705571 AHTZXCGHKPAJDH-YJBOKZPZSA-N 310.397 3.003 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)Nc1nc(C(C)C)nn1C 95431686 SKWJFMUCSOXWJW-MNOVXSKESA-N 304.419 3.051 0 40 DGAB COC[C@@](C)(NCc1cc(OC)ccc1OC)c1ccccc1 95985822 GVBFBZKSMSJQFV-LJQANCHMSA-N 315.413 3.355 0 40 DGAB O=C(N1CCN(Cc2ccccc2)CC1)C1(c2ccccc2)CC1 23239265 ZHCFWJIJKYCMDL-UHFFFAOYSA-N 320.436 3.063 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCc1cccs1 74985964 GKCCGVTXUFPFLT-UHFFFAOYSA-N 301.820 3.021 0 40 DGAB Cc1ccc(C)c(OCc2cc(=O)n3c(C)csc3n2)c1 21368922 ZZVDVEBHEFDUMT-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB CCCN1C(=O)N/C(=C/c2cc(Cl)cc(Cl)c2O)C1=O 409239000 YFHJZBCGDFGGBR-BJMVGYQFSA-N 315.156 3.002 0 40 DGAB CC(C)NC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680523 ZPNCUBODZJVJHZ-UHFFFAOYSA-N 324.355 3.453 0 40 DGAB Cc1ccc(C2(CN[C@@H](C)c3nnc(C)o3)CCOCC2)cc1 79030917 DJZVATKXMCTQTE-AWEZNQCLSA-N 315.417 3.085 0 40 DGAB CSC[C@H](C)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77647611 XGXUTMXUAYPOAV-KWQFWETISA-N 322.257 3.142 0 40 DGAB COc1ccc(Cl)cc1C(=O)n1cc(CO)c2ccccc21 216955916 MLEMZKNCASCBAW-UHFFFAOYSA-N 315.756 3.484 0 40 DGAB CSCC[C@H](C)NC(=O)Nc1cccc(-c2nccn2C)c1 77446354 QYPGAWRGQLREJP-LBPRGKRZSA-N 318.446 3.350 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2C)nc(N2CCCCC2)n1 72241011 LZHCNVLNDYUJLG-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB N=C(N)SCc1nc(-c2cc(Cl)ccc2Cl)no1 89262042 ORVCMLGUHJZGSK-UHFFFAOYSA-N 303.174 3.170 0 40 DGAB COc1cccc(C(=O)Nc2cc(N)ccc2N2CCCC2)c1 226255840 MAOQKKJFMWNBLQ-UHFFFAOYSA-N 311.385 3.130 0 40 DGAB Cc1ncc(CN(CC(=O)O)Cc2ccc(Cl)cc2)s1 567478837 CHRYQOALCABGGR-UHFFFAOYSA-N 310.806 3.192 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NCc1cc(-c2cnn(C)c2)no1 190049396 ICXAXXPDYXPZDF-GDBMZVCRSA-N 320.462 3.229 0 40 DGAB O=C(NCc1cnn2ccccc12)c1ccc(-n2cccc2)cc1 75162652 CQJOMOOQRLHBFK-UHFFFAOYSA-N 316.364 3.055 0 40 DGAB COc1ccc(OC)c(C[C@@H](Oc2cccc(C)c2)C(=O)O)c1 225114412 CYNQRKMWRMENTQ-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225594845 YUOIFEXECWGJLR-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB CC(C)(C)Sc1cc(CNC(=O)c2cccnc2)ccn1 195552915 ZTFBEXXIXITFJY-UHFFFAOYSA-N 301.415 3.297 0 40 DGAB COC(=O)C[C@@H](c1ccccc1)c1c(O)ccc2nsnc12 96223154 BEGRHBYOCNTQSP-NSHDSACASA-N 314.366 3.092 0 40 DGAB CCOC(=O)c1c(-c2ccc(OC(C)=O)cc2)csc1N 98071605 RAXUJVOBTPWILV-UHFFFAOYSA-N 305.355 3.099 0 40 DGAB C[C@H](CCOc1ccccc1)C(=O)N[C@H](C)c1nccs1 96443682 MRLGWKPLVMMDCL-CHWSQXEVSA-N 304.415 3.426 0 40 DGAB CC(C)c1nnc(Cn2nc(C(F)(F)F)c3cnccc32)o1 92918570 OTFVXOQKLMHIND-UHFFFAOYSA-N 311.267 3.005 0 40 DGAB C[C@@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)C1 96192906 AHFDAQIRFYYSBW-PXAZEXFGSA-N 320.820 3.482 0 40 DGAB Cc1cnc(CN2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cn1 257274093 NJNGWOUJQRHZSW-MNZLEMJZSA-N 309.413 3.074 0 40 DGAB Cc1ccnc([C@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)n1 257281394 OOYRAWVDRCDIGP-ZDUSSCGKSA-N 324.359 3.035 0 40 DGAB CC(C)C[C@H](CN[C@H]1CCC[C@H](c2cccnc2)C1)C(=O)O 263116209 ZPWNZKWCNTUBRC-UAGQMJEPSA-N 304.434 3.444 0 40 DGAB CCOC(=O)CCCC(=O)c1cc(Br)cs1 382738553 YINORQSYHRQUCA-UHFFFAOYSA-N 305.193 3.427 0 40 DGAB C[C@@H](c1cc(F)ccc1F)N1CCN(C(=O)c2ccoc2)CC1 56491824 HWYMUPZPXKPDRH-LBPRGKRZSA-N 320.339 3.077 0 40 DGAB FC(F)(F)c1cccc(N2CCN(Cc3ccncc3)CC2)c1 71809246 MSZUCWDZGDTKBN-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB CCc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 5509144 UQKRIGQPQTYMTR-UHFFFAOYSA-N 301.371 3.336 0 40 DGAB CSc1ncc(C(=O)Nc2nc3ccc(C)cc3s2)cn1 5001166 FEGMBPKSFDQMOT-UHFFFAOYSA-N 316.411 3.369 0 40 DGAB O=S(=O)(Nc1ccccc1F)c1cccc2cccnc12 11851871 OPCKWJXOVZLEPX-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB Cc1c(C(=O)Oc2cccnc2)oc2c1[C@H](O)CC(C)(C)C2 16740271 HEXGSDQVKAVSIV-GFCCVEGCSA-N 301.342 3.208 0 40 DGAB COCC(=O)N1CCC[C@@H]1c1cc(-c2ccccc2)cc(C)n1 19690743 ZBOODBJJNPODOC-GOSISDBHSA-N 310.397 3.367 0 40 DGAB O=C(COCc1ccccc1)NCC1(c2ccsc2)CC1 1888920843 RFXWPHLXSYLGAV-UHFFFAOYSA-N 301.411 3.113 0 40 DGAB O=[S@]12=Nc3ccc(I)cc3[C@@H]1CCC2 1503350607 FTXVOSQLXSOKQI-HZMBPMFUSA-N 319.167 3.239 0 40 DGAB C[C@](O)(CNc1ncnc2ccc(Cl)cc12)c1ccco1 1775972782 VSWPCFDXNWLDST-HNNXBMFYSA-N 303.749 3.196 0 40 DGAB CCc1ccc(CNC(=O)[C@H]2CC(=O)Nc3ccccc32)s1 40538918 RQHCQJKSGAUJJQ-AWEZNQCLSA-N 314.410 3.053 0 40 DGAB COc1ccc(NC(=O)CCCc2nc(C(C)C)no2)cc1 40515654 DADDGUVICLCYSN-UHFFFAOYSA-N 303.362 3.163 0 40 DGAB O=C(CNC(=O)c1cccs1)c1ccc(Br)cc1 411839 CTMPVZRVDXIPCK-UHFFFAOYSA-N 324.199 3.123 0 40 DGAB C[C@@H](OC(=O)c1cccc(N)c1)C(=O)Nc1ccccc1Cl 69772378 UGEBDIQLJTYPBZ-SNVBAGLBSA-N 318.760 3.106 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccccc1 2651621 FTJHNMRPJZVLIY-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CCn1c(SCc2ccccc2)nc2c(c1=O)SCC2 4339344 NOUSDWVKIBIRRM-UHFFFAOYSA-N 304.440 3.204 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCN(c2ccccc2F)CC1 6923240 JMUJGLPPXDTZPI-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1 101275179 BWKPCVNTGLJLLE-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CCOC(=O)c1cnc(C)nc1Nc1ccccc1OCC 11907792 VRTMPTVFJDMWJJ-UHFFFAOYSA-N 301.346 3.104 0 40 DGAB C[C@H](OC(=O)[C@@H](N)CCC(=O)O[C@H](C)C(C)(C)C)C(C)(C)C 55124481 NWFOJMQOKNLKHC-AGIUHOORSA-N 315.454 3.050 0 40 DGAB COC(=O)Nc1ccc(NC(=O)c2cn3ccc(C)cc3n2)cc1 46526168 XNQAPTQCNSRJHY-UHFFFAOYSA-N 324.340 3.073 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1F 51528801 WCENVLXPEFIROA-LLVKDONJSA-N 321.735 3.049 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)c1 52915480 MYLHYEVDLIRNCC-WMLDXEAASA-N 300.402 3.440 0 40 DGAB C[C@H](NC(=O)c1ccc([S@@](C)=O)cc1)c1ccccc1F 22226514 ABXGLKIXJJOMHT-MQJDWESPSA-N 305.374 3.054 0 40 DGAB COc1cccc(NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1 807190 GYIWRMPEBUXYLW-UHFFFAOYSA-N 322.364 3.491 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)c2ccccc2O)cc1 54313236 HAUYVGUVMNNDHU-UHFFFAOYSA-N 314.341 3.237 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)N(C)CC2CCC2)cc1OC 75612532 JHYPCJDFHKTJIZ-LLVKDONJSA-N 324.396 3.345 0 40 DGAB O=C(C[C@H]1CCOc2ccccc21)Nc1c(O)cccc1F 76083493 QPJAJNKEFMHRQN-LLVKDONJSA-N 301.317 3.426 0 40 DGAB CS[C@@H]1CCC[C@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1 107146013 LFQOHPIILKAARM-HZPDHXFCSA-N 320.458 3.044 0 40 DGAB O=C(CN1Cc2ccccc2[C@@H](c2ccccc2)C1)N1CCCC1 43669875 ZMNYXMSKXJUTRR-HXUWFJFHSA-N 320.436 3.257 0 40 DGAB Cc1nn(-c2ccccc2)c2[nH]c(=O)c(CNC3CCCC3)cc12 26521501 DLCYWXNLKUBRFV-UHFFFAOYSA-N 322.412 3.054 0 40 DGAB COC(=O)c1cc2ccccc2cc1NC(=O)c1c(C)noc1C 44757855 GVDMNJTVWFQRJD-UHFFFAOYSA-N 324.336 3.484 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3ccc[nH]c3=S)CC2)c1 10100284 KIPVCHMXVOZEBG-UHFFFAOYSA-N 313.426 3.015 0 40 DGAB CC[C@@H](C)n1c(S[C@@H]2CCOC2=O)nnc1-c1ccccc1 58202524 YTGBKKQQUACMQK-DGCLKSJQSA-N 317.414 3.324 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)[C@@H](c1ccccc1)n1cccn1 58218308 JDAJESJKAJJBPA-OAHLLOKOSA-N 324.409 3.445 0 40 DGAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F 58296077 CPFVQKIUZAHGBO-NWDGAFQWSA-N 324.350 3.294 0 40 DGAB CCCC[C@@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O 2374320 CKUKJMNWXKDDRG-LBPRGKRZSA-N 321.373 3.083 0 40 DGAB C[C@H](NC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 45683606 DDLATLQDGLNWQJ-USCDJENESA-N 320.477 3.412 0 40 DGAB Cc1ccnc(NC(=O)c2ccccc2OC[C@H]2CCCO2)c1 36700657 UIDFILVWPMATNU-CQSZACIVSA-N 312.369 3.200 0 40 DGAB Cc1nc(C2(NC(=O)CCc3cccs3)CCCCC2)no1 29059013 SVKIZBFBXLGTFI-UHFFFAOYSA-N 319.430 3.348 0 40 DGAB Fc1ccc(CN(C[C@@H]2CCOC2)C2CC2)c2ncccc12 48262021 FBGMNMVYLFZYJF-ZDUSSCGKSA-N 300.377 3.375 0 40 DGAB CCc1cccc(C)c1NC(=O)CCNC(=O)Cc1ccccc1 12786565 MLHUSSXGQCJIOC-UHFFFAOYSA-N 324.424 3.245 0 40 DGAB COc1cc(NC(=O)N2CCCCCC2)ccc1NC(C)=O 48387020 KOMSOAREKLFXTC-UHFFFAOYSA-N 305.378 3.062 0 40 DGAB Cc1cccc(OCC(=O)Nc2nc3c(s2)CCC3)c1C 12879044 XXXDPVHOCSGPNE-UHFFFAOYSA-N 302.399 3.266 0 40 DGAB O=C(OCc1ccc(Br)cc1)c1ccc(O)cc1O 3528970 KJCIUYXRFIEYDW-UHFFFAOYSA-N 323.142 3.217 0 40 DGAB CCn1c(/C=C/c2ccc3c(c2)OCO3)nc2ccccc2c1=O 3900191 RTWYULICNPXYCV-CSKARUKUSA-N 320.348 3.316 0 40 DGAB biogenic c1cc(-c2nnc(SCCCN3CCCCC3)o2)ccn1 64548575 GYEWMVDUFBIODR-UHFFFAOYSA-N 304.419 3.100 0 40 DGAB COc1cccc(Cn2cc(NC(=O)C3CCCCC3)cn2)c1 28220780 ICJJFQANEHPLKF-UHFFFAOYSA-N 313.401 3.459 0 40 DGAB O[C@@H](CSCc1noc(-c2ccco2)n1)c1ccccc1 65477645 HPFYUJDMVPIOMU-LBPRGKRZSA-N 302.355 3.296 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)c1 69516471 OXVAOEGROZBPPP-OAHLLOKOSA-N 303.431 3.049 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1COc2ccccc2O1 14122042 DSXPWVMHIJZGMV-SFHVURJKSA-N 309.365 3.114 0 40 DGAB Cc1nc(C)c(-c2nnc(SC[C@@H]3CCCCO3)o2)s1 69620453 PGBLQBZDOQUAHM-JTQLQIEISA-N 311.432 3.471 0 40 DGAB Cc1cccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)c1 67261932 YXHWSCAKUPTREU-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB Cc1cn2c(CN3CCCC[C@@H]3c3ncc[nH]3)c(C)nc2s1 92729730 KYOQSQADDJDZHZ-CYBMUJFWSA-N 315.446 3.463 0 40 DGAB COc1cc(OC)c(C(=O)Nc2ccc(F)cc2C)cc1OC 7751181 BQYDOERZAAFOFK-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB Cc1csc2nc(CSc3ccccc3F)cc(=O)n12 9536833 XBTURHGNSRNUSH-UHFFFAOYSA-N 306.387 3.496 0 40 DGAB O=C1NCCN1c1ccc(NCc2cc(F)c(F)cc2F)cc1 97098532 HZLNKQXRWINQIN-UHFFFAOYSA-N 321.302 3.246 0 40 DGAB O=C(CCCCCc1cccs1)N[C@H]1CCc2nccn2C1 72273494 MEUJWUFPQIYQKO-AWEZNQCLSA-N 317.458 3.179 0 40 DGAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1CCc1cccs1 72268636 XAXNDIMJIMNTIS-JKSUJKDBSA-N 306.475 3.156 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 72282952 VOSWFQHLRJJTBL-ULQDDVLXSA-N 309.413 3.228 0 40 DGAB CC(C)(C)C(=O)Nc1cccc(C[S@@](=O)C2CCOCC2)c1 79361247 ZIGDOLAZPMMWKS-QFIPXVFZSA-N 323.458 3.099 0 40 DGAB CC[C@H]1c2cccn2CCN1C(=O)Cc1ccc(OC)c(F)c1 95428334 PWOZHOUXHBSHEJ-HNNXBMFYSA-N 316.376 3.172 0 40 DGAB COc1ccc(CNc2ccc(Cl)nc2)c(OC)c1OC 95440944 JMLOMGRAKCRJDN-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB COC[C@@](C)(NC(=O)c1ccncc1Cl)c1ccccc1 79736684 YOHQTHDPNJTDNX-MRXNPFEDSA-N 304.777 3.027 0 40 DGAB CC[C@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 73279906 DLICIMROMQUZLI-IUCAKERBSA-N 322.352 3.298 0 40 DGAB CC(C)(C)OC(=O)N1CCC(c2nnc3n2CCCCC3)CC1 98211211 KLCSFQSNWDVAED-UHFFFAOYSA-N 320.437 3.119 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2cccnc2)cc1 95969117 GYBZOOGUVCMILI-LBPRGKRZSA-N 305.403 3.016 0 40 DGAB Cc1noc(C)c1CN1CCCN(c2ccc(F)cc2)CC1 95951841 RTTMAMZABWEIDJ-UHFFFAOYSA-N 303.381 3.143 0 40 DGAB Cc1cc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)C(C)(C)C)C2)on1 72334768 ZKNXVPMIDJZXJC-GFCCVEGCSA-N 316.405 3.125 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccccc2)cc1 38832802 TZZZNUMDSHNDRP-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB COc1cccc(CN2[C@H](c3ccccc3)CC[C@@H]2C(=O)O)c1 521273332 OMYFGKJEPIAFPB-ZWKOTPCHSA-N 311.381 3.486 0 40 DGAB O[C@H](CNc1ccc(Cl)cn1)COc1ccccc1Cl 35671993 GHARKQPDFUPUNI-LLVKDONJSA-N 313.184 3.240 0 40 DGAB COc1ccc2c(c1)cc(C(=O)Nc1ccccc1OC)n2C 35476029 MVDIZIACKNPQRL-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB C[C@@H](c1nccs1)N1CCC(NC(=O)OC(C)(C)C)CC1 72203936 PNSFMJVXACABTQ-NSHDSACASA-N 311.451 3.193 0 40 DGAB Cc1cnccc1NS(=O)(=O)c1c(Cl)cccc1Cl 79029291 IVYMNFWSBXGRQB-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1nc2c([nH]1)-c1ccccc1N(C(=O)c1ccc(N)cc1)CC2 44830121 HBUXZDWBSFNLEW-UHFFFAOYSA-N 318.380 3.170 0 40 DGAB COc1ccc([C@@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 44902085 JKBRHPPFUQMIEX-HNNXBMFYSA-N 320.352 3.400 0 40 DGAB CCOC(=O)N1CCC2(CC1)CC(=O)c1ccc(Cl)cc1O2 225826494 OGWOMSCDMIULMT-UHFFFAOYSA-N 323.776 3.296 0 40 DGAB CSCc1cc(F)ccc1CNC1CCC(NC(C)=O)CC1 133229769 REWYSFDLFBOYTD-UHFFFAOYSA-N 324.465 3.226 0 40 DGAB CCOc1ccc(N(CC)S(=O)(=O)c2ccccc2)cc1 224663888 XBPJMBAEYDWOLF-UHFFFAOYSA-N 305.399 3.301 0 40 DGAB CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 42646733 XREYLOJMXHJQBE-XJKSGUPXSA-N 318.417 3.107 0 40 DGAB CCCc1noc([C@@H]2CCCCN2C(=O)c2cccs2)n1 40714504 HKESHYLWXMZSOE-NSHDSACASA-N 305.403 3.451 0 40 DGAB CCN(CC(=O)Nc1ccccc1OC)c1ncccc1Cl 225591953 QHFNOKFZOGJOPE-UHFFFAOYSA-N 319.792 3.209 0 40 DGAB Cc1nnc(SCC[C@H]2CCOC2=O)n1[C@H]1CCC[C@@H](C)C1 195546276 BEPQOCZPHIDQKG-BNOWGMLFSA-N 323.462 3.383 0 40 DGAB O=S1(=O)N=C(Cl)Nc2c(Cl)ccc(C(F)(F)F)c21 95096728 IMNDSHLPSFSYRB-UHFFFAOYSA-N 319.091 3.068 0 40 DGAB CCC(=O)N1N=C(c2ccc[nH]2)C[C@@H]1c1cccc2nccnc12 95115957 XNHSNBSLHVTPQO-MRXNPFEDSA-N 319.368 3.046 0 40 DGAB Cc1ccc(CN2CC[C@H]3C[C@H](c4nccs4)O[C@@H]3C2)o1 97953893 TYZFYVSPXWMWOO-NWANDNLSSA-N 304.415 3.397 0 40 DGAB Cc1ccc(C(=O)N2CCC3(CC2)CC(N2CCCC2)C3)cc1 96159219 NTKUAERUIGHJBX-UHFFFAOYSA-N 312.457 3.476 0 40 DGAB CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@H](C)c1cncc(F)c1 330912809 HZODFWCZYRDCAR-IOASZLSFSA-N 308.397 3.383 0 40 DGAB c1cc(CN2Cc3cncn3C[C@@H](COCC3CC3)C2)cs1 96208004 QULIFUITEJDDEZ-INIZCTEOSA-N 317.458 3.003 0 40 DGAB COc1ccc(C)c(NC(=O)NCC(C)(C)[C@@H](O)C(C)C)c1 96484136 IMWSKSFUOKYKDX-HNNXBMFYSA-N 308.422 3.168 0 40 DGAB O=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1C[C@H]1c1ccccc1 245338952 POOKJVNUQORRJW-ZNMIVQPWSA-N 313.426 3.450 0 40 DGAB Cc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@H]3C2)o1 248122915 KPSAMBPHSBLLJS-PMACEKPBSA-N 310.441 3.436 0 40 DGAB C[C@H](O)[C@H](C)S[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 245339047 QEPFZDCMFJIAID-RVBZMBCESA-N 317.813 3.087 0 40 DGAB COCCC(=O)N[C@]1(C)C[C@H](C(C)C)O[C@@H]2C[C@H](C)CC[C@H]21 257208472 BMHHDHSXPUIPSF-XSDHEKCYSA-N 311.466 3.148 0 40 DGAB COc1cccc(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)c1 257247955 JBIQHEKZQZJJQZ-HNNXBMFYSA-N 310.397 3.185 0 40 DGAB OCC[C@H]1CCc2ccccc2N1Cc1cnc2ccccc2n1 585094522 YFWVAHCAWMDEHO-QGZVFWFLSA-N 319.408 3.334 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2ccccc2n1 48235933 IZJBHEGEBDCIMO-KZULUSFZSA-N 320.348 3.402 0 40 DGAB CN(C)c1c(Cl)cccc1NC(=O)NCc1cccnc1 48739981 OXGCZGMLQLZWDO-UHFFFAOYSA-N 304.781 3.123 0 40 DGAB CCN(C(=O)C[C@H]1C(=O)Nc2ccccc21)c1ccccc1C 58230937 DSXJLAWXSQBNSH-OAHLLOKOSA-N 308.381 3.474 0 40 DGAB Cc1ccc(CC(=O)N2Cc3ccccc3N(C)C[C@@H]2C)s1 81613550 KSZITEIJXBAROZ-ZDUSSCGKSA-N 314.454 3.466 0 40 DGAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 12143267 MBZGCMPTOZYSCG-CQSZACIVSA-N 309.369 3.043 0 40 DGAB CSc1ncc(C(=O)N[C@H](C)c2ccc3c(c2)CCC3)cn1 12195037 SYMVYSNEEWSLAU-LLVKDONJSA-N 313.426 3.178 0 40 DGAB c1cnc(-c2cnc(N3CCCCC3)nc2-c2ccoc2)cn1 13268323 BOLBFNCDKQPWMU-UHFFFAOYSA-N 307.357 3.184 0 40 DGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)C1CCCCC1 13714163 VRPMGRRLORYFMF-UHFFFAOYSA-N 314.429 3.370 0 40 DGAB O=C(C1CCCC1)N1CC[C@H](c2nc(C3CCCC3)no2)C1 19014666 VCVGMVVTCDWHHM-AWEZNQCLSA-N 303.406 3.233 0 40 DGAB COc1cc(NC(=O)C(C)(C)C)ccc1N1CCCCC1=O 5441529 SRGAPEUKUWEPHV-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB Cc1cnc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]1 1848352237 MSQJPRVJYGKRBR-MRXNPFEDSA-N 308.385 3.106 0 40 DGAB Cc1nc(NC(=O)CC[C@@H]2CCCO2)sc1-c1ccccn1 31906733 VFNJZHIHIFFUNR-LBPRGKRZSA-N 317.414 3.411 0 40 DGAB CCCN(CCC)C(=O)C(=O)c1c(C)n(C)c2ccccc12 4062371 ASFCIPRPLKYRJZ-UHFFFAOYSA-N 300.402 3.318 0 40 DGAB COc1ccc(CC(=O)NCCOc2cc(C)cc(C)c2)cc1 23142472 XSDAZLPATOQQAD-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nccc3sccc23)C1 2086881842 KPSSGXCAQQQHEU-LLVKDONJSA-N 303.431 3.037 0 40 DGAB COC(=O)CSc1nc(-c2ccccc2)nc2c1CCCC2 197379 LGFRTQWOTFTCNY-UHFFFAOYSA-N 314.410 3.288 0 40 DGAB COCCn1c(C)c(C(=O)OC)c2cc(O)c3ccccc3c21 12372302 OJQMJANMNHJQMO-UHFFFAOYSA-N 313.353 3.242 0 40 DGAB biogenic,in-vitro C[C@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc2c(c1)CCC2 28044308 USHSYEOFUCCNLD-SUMWQHHRSA-N 307.459 3.375 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)c1ccn(-c2ccccc2)n1 30643122 PDPYOUWLHAXUSE-UHFFFAOYSA-N 310.382 3.459 0 40 DGAB O=C(Nc1ccncc1)c1ccc(OCc2cccnc2)cc1 40498752 ZRJGZDSPVPWIAD-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CN(C)C2CCCCCC2)c1 40477562 XJPCCMOVXQNRRS-UHFFFAOYSA-N 317.433 3.238 0 40 DGAB O=C(Nc1nccs1)c1cnn2c(-c3ccccc3)ccnc12 40553289 IYQVHGOXNLOQKG-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB CCCc1ccc(OCC(=O)Nc2nnc(CC)s2)cc1 141971 VNJQZYDMSNWCMO-UHFFFAOYSA-N 305.403 3.071 0 40 DGAB CCc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 45816930 VPNXTTODECNVAL-UHFFFAOYSA-N 302.399 3.367 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 169009 TWIBYCAQBCSMCF-CYBMUJFWSA-N 318.760 3.302 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)NCC[C@H]1CCCO1 69438338 QXUCGBVASIMSNV-CQSZACIVSA-N 316.426 3.417 0 40 DGAB CCO[C@H](COC(=O)c1ccccc1C(=O)O)c1ccccc1 1669142 QYUNKEYRMRRTCC-MRXNPFEDSA-N 314.337 3.319 0 40 DGAB CCN1C[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1=O 32816468 XVOHPNMTRVTSNR-BBRMVZONSA-N 322.836 3.022 0 40 DGAB S=C(NCCSCc1ccco1)N[C@@H]1C[C@H]2CC[C@@H]1C2 6335755 YFTLTNFONGJKFN-OUCADQQQSA-N 310.488 3.166 0 40 DGAB O=C(Nc1nonc1-c1ccccc1)C(Cl)(Cl)Cl 6475912 BLPVYQCZPMRXGZ-UHFFFAOYSA-N 306.536 3.045 0 40 DGAB Cc1nc(SCC(=O)Nc2cccnc2Cl)nc(C)c1C 2621186 DYRRYBZYMDJVTR-UHFFFAOYSA-N 322.821 3.181 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(F)c1F 89949027 MMJMPRCCRMWXRT-MLGOLLRUSA-N 322.399 3.092 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCSCc2ccco2)cc1 8480076 HAUHLDMDIRFBKF-AWEZNQCLSA-N 319.426 3.405 0 40 DGAB O=C(Nc1ccc(Cl)cn1)c1cc2ccccc2oc1=O 544798 UMTNQBHAXYONLU-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB COc1cc2c(cc1OC)[C@@H](COc1ccc(F)cc1)NCC2 22405265 OWLXVRYRDSZRJB-MRXNPFEDSA-N 317.360 3.109 0 40 DGAB CC1CCC(NC(=O)CNC(=O)c2ccc3ccccc3c2)CC1 23077492 FYNSRPYSNFNOMG-UHFFFAOYSA-N 324.424 3.265 0 40 DGAB CCOc1ccccc1CN(C)C(=O)c1cccnc1S 54585968 LUHJKFCYQXXVBY-UHFFFAOYSA-N 302.399 3.041 0 40 DGAB CSc1nccn1-c1ccc(C(=O)Nc2ccccn2)cc1 42765933 SCFFFHFUZBNCTJ-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB CCOc1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 106519755 LWPHRFLXYGBXNO-XSWJXKHESA-N 317.429 3.405 0 40 DGAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 107323496 WQZQGTULKCMQNF-UVWXRNBGSA-N 312.816 3.387 0 40 DGAB O=C(O[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCC2=O)cc1 107309788 YHOIUWMUFGXBSD-BHYGNILZSA-N 313.397 3.154 0 40 DGAB CC1(C)CC(NC(=O)N2CCc3sccc3C2)CC(C)(C)N1 26179799 ZKDWOFRSQMUGMO-UHFFFAOYSA-N 321.490 3.125 0 40 DGAB O=C(Nc1ccn(Cc2ccccc2)n1)c1ccc2[nH]cnc2c1 57183209 POANYZMYGHETOM-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB O=C1/C(=C/c2ccco2)NC(=S)N1c1cccc(Cl)c1 104990996 BELHPXUSAGHFMP-WQLSENKSSA-N 304.758 3.195 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)c1 1993340 WMFLXWGEFPKYSN-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1ccc(N2C(=O)c3nc4ccc(C)cc4nc3C2=O)cc1 44803174 IWCZLZFWHPBGOK-UHFFFAOYSA-N 303.321 3.047 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)c(C)c1 10234996 SBFNKCGMGAGTLH-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCCN(Cc2ccccc2F)CC1 58282593 LTBDHELNDSWWGZ-MRXNPFEDSA-N 316.420 3.216 0 40 DGAB O=C(CSc1cnc2ccccc2n1)Nc1ccc(F)cc1 2479652 NHRDJDQMCYCTMN-UHFFFAOYSA-N 313.357 3.500 0 40 DGAB CC(C)c1nc2c(n1C)CCN(c1ncnc3ccsc13)C2 69527456 IHUUWEIWQKPBLW-UHFFFAOYSA-N 313.430 3.111 0 40 DGAB Cc1ccc2ncn(C[C@H](O)c3ccccc3Cl)c(=O)c2c1 48366345 PVXSAMJDEKMNIR-INIZCTEOSA-N 314.772 3.092 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)NCCC1=CCCCC1 12948827 FJQVYAYEGZXDRD-UHFFFAOYSA-N 320.458 3.265 0 40 DGAB Cc1cnc(NC(=O)CCSCc2csc(C)n2)s1 48939393 BYEFWSSDQPBIDM-UHFFFAOYSA-N 313.473 3.478 0 40 DGAB Cc1ccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)cc1F 13253768 LWLAEWRMCMXBCV-AWEZNQCLSA-N 301.317 3.331 0 40 DGAB Cc1n[nH]c(-c2ccc(NC(=O)c3ccc[nH]c3=S)cc2)n1 69813228 SSTDIKAKROXGFH-UHFFFAOYSA-N 311.370 3.090 0 40 DGAB O=C(CCCSc1nc2ccccc2[nH]1)NCc1ccco1 4013134 PHIPMYXBVFWUTI-UHFFFAOYSA-N 315.398 3.345 0 40 DGAB CC(C)n1ncc2c(C(=O)NCc3ccco3)c3c(nc21)CCC3 49550322 TXNWQNKNGHMEJE-UHFFFAOYSA-N 324.384 3.024 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)N(C)[C@H](C)CC(C)C)c1 65565690 BNAMULBAZPAZIE-CYBMUJFWSA-N 321.421 3.170 0 40 DGAB CC(=O)c1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 14190304 LEFJECMKVHUFJC-UHFFFAOYSA-N 311.337 3.189 0 40 DGAB CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 65606647 CQUKWSMDVGTUJA-GHMZBOCLSA-N 323.824 3.209 0 40 DGAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccc(Cl)nc1 6581597 WJYMVNOHDGMXJW-AWEZNQCLSA-N 322.817 3.091 0 40 DGAB C[C@@H](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 6542434 FNQAPTIBRDMRMC-ZDUSSCGKSA-N 317.410 3.222 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 6649545 YDWXPFNWXXKQQW-NSHDSACASA-N 300.333 3.275 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 4731706 GFSQQSOQLNSOFQ-HOCLYGCPSA-N 320.392 3.017 0 40 DGAB Cn1c(=O)sc2cc(NC(=O)CCc3ccccc3)ccc21 21093245 MNYUPKQNRNGYEZ-UHFFFAOYSA-N 312.394 3.171 0 40 DGAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc(F)cc1Cl)C2=O 5885125 AJPNIBLYZWVHKF-QLJPJBMISA-N 324.783 3.480 0 40 DGAB C[C@@H]1CCc2ccccc2N1CC(=O)NCCc1cccs1 15304181 MSJVFGKWCCYGTG-CQSZACIVSA-N 314.454 3.248 0 40 DGAB CSc1ccc(NC(=O)c2cccc(NC(N)=O)c2)cc1 8049018 NATTYVTULHMKOD-UHFFFAOYSA-N 301.371 3.151 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)cc1 8132081 KDMXUQTXIQZNHS-UHFFFAOYSA-N 324.336 3.356 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCCCCC1 8184084 WQLOHBZNARYAOP-VQHVLOKHSA-N 301.386 3.264 0 40 DGAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 8264665 XLOFOCLJKDBQEV-SKDRFNHKSA-N 302.296 3.394 0 40 DGAB Cc1ccc2nc3c(cc2c1)c(NC(=O)c1ccccn1)nn3C 9329126 YHIISAQBYICCET-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB c1ccc(-c2cc(CSCc3nnnn3C3CC3)no2)cc1 71798143 NCHARRZYKYXFLH-UHFFFAOYSA-N 313.386 3.096 0 40 DGAB Cc1nc(CN(C)C(=O)NCC2(c3ccccc3)CC2)cs1 71837292 BFSZAPRXAYBAOQ-UHFFFAOYSA-N 315.442 3.325 0 40 DGAB O=C(c1cc(C2CC2)[nH]n1)N1CCCCC[C@H]1c1ccncc1 71820905 TZACDQDYAMYTGM-KRWDZBQOSA-N 310.401 3.440 0 40 DGAB Cc1ccccc1C[S@](=O)[C@@H](C)C(=O)N(C)c1ccccc1 71858855 JRFANQGBFOJFAA-OYHNWAKOSA-N 315.438 3.295 0 40 DGAB C[C@@H](NC(=O)NC1CCN(C)CC1)c1csc2ccccc12 72268199 YUXVSEWNVAUIEZ-GFCCVEGCSA-N 317.458 3.356 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)s1 72282934 YDELGUBKODNRQH-MJBXVCDLSA-N 315.442 3.289 0 40 DGAB CC[C@H](NCc1noc(C)n1)c1nc(C(F)(F)F)cs1 97110999 AIVHKWJCIQMIRS-ZETCQYMHSA-N 306.313 3.094 0 40 DGAB CN(CC(F)(F)F)C(=O)c1cc(C2CC2)n(C(C)(C)C)n1 84325496 PBLXOQMOZOQNBZ-UHFFFAOYSA-N 303.328 3.150 0 40 DGAB COC(=O)CN(C(=O)[C@H]1[C@H](C=C(C)C)C1(C)C)c1ccccc1 84670925 UROFLUGCQFSDRE-DOTOQJQBSA-N 315.413 3.431 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cccnc3)C2)c1 62555839 RUIJBSUYOGRPTA-INIZCTEOSA-N 310.397 3.321 0 40 DGAB Cn1ccc(CSc2nnc(NC3CCCCC3)s2)n1 89756665 WKOAYECTBADPNI-UHFFFAOYSA-N 309.464 3.309 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(F)c1F 89895007 JGENNSBSWOQDGF-IAQYHMDHSA-N 305.324 3.207 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)CSc2ncc3ccccn23)[C@@H]1C 24456948 VMDURFJCFWWOML-UMVBOHGHSA-N 317.458 3.367 0 40 DGAB COc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1F 30289490 LOYSVQPODQJMTP-UHFFFAOYSA-N 313.394 3.003 0 40 DGAB CCOC(=O)[C@H](CN)[C@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216351844 OCKDPBVSIVVMTJ-STEAMIEHSA-N 324.509 3.051 0 40 DGAB CN(C(=O)c1ccnnc1)c1ccc(OCc2ccccc2)cc1 187934894 KNZKNFGYTRICRK-UHFFFAOYSA-N 319.364 3.332 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cncc(C)c2)cc1 72211352 BKRQJQBSNAXAGG-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB Cc1cc(CC(=O)NCc2ccc(-c3ccccc3F)o2)no1 73209670 URFMQZBNNPZTDW-UHFFFAOYSA-N 314.316 3.241 0 40 DGAB Cc1nc2c(s1)[C@@H](N(C)Cc1occc1C(=O)O)CCC2 566359768 XUSQAYJCMUZRNN-LBPRGKRZSA-N 306.387 3.252 0 40 DGAB CC[C@@H]1CCCN(C(C)(C)CNC(=O)CCc2nccs2)C1 78917046 MNKSANCNHUOPCQ-CQSZACIVSA-N 323.506 3.093 0 40 DGAB COCc1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)cc1 40108291 UNZQZSPAQKEBAX-RHSMWYFYSA-N 305.418 3.158 0 40 DGAB CC(F)(F)c1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1 571143678 LJDCNXNUWDOBIQ-UHFFFAOYSA-N 309.341 3.780 0 40 DGAB O=C(NCCCN1CCCc2ccccc21)c1cccc(F)c1 224959202 JXRGCVXRNDPMMI-UHFFFAOYSA-N 312.388 3.398 0 40 DGAB CC(=O)Oc1ccccc1/C=C/c1n[nH]c(-c2ccccc2O)n1 40488323 VDHKCIKIBDGKCJ-ZHACJKMWSA-N 321.336 3.273 0 40 DGAB CC(C)Oc1nn(C)c2ccc(NC(=O)C3CCCC3)cc12 227164718 WRHNTCKXYNOSSC-UHFFFAOYSA-N 301.390 3.489 0 40 DGAB S=C(NCc1ccccc1)Nc1ncc(Cl)nc1Cl 223922725 SZZCJENUMZLPLB-UHFFFAOYSA-N 313.213 3.270 0 40 DGAB COC(=O)c1cccc(-c2noc([C@H]3C[C@@H]3c3ccco3)n2)c1 195531191 VOOFGSNIJAAEEW-STQMWFEESA-N 310.309 3.387 0 40 DGAB CC[C@@H]1CCCC[C@H]1OCC(=O)N[C@@H](C)c1cncc(F)c1 330912810 HZODFWCZYRDCAR-WOSRLPQWSA-N 308.397 3.383 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)Cc2ccccc2)o1 96184683 CXMPVBBQRHQZRG-RBUKOAKNSA-N 324.424 3.006 0 40 DGAB Cc1ncc(C(=O)N(Cc2ccccc2)c2ccccn2)c(C)n1 95464229 YKCBRKPGWUFPMZ-UHFFFAOYSA-N 318.380 3.335 0 40 DGAB O=c1[nH]c2cc(Br)c(Br)cc2s1 95950023 WAJQODOUIDFDNU-UHFFFAOYSA-N 308.982 3.115 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)CN1CC(C)(C)[C@H]1[C@H]1CCCO1 580380385 HFPFVCLENJKBPG-LZLYRXPVSA-N 324.509 3.207 0 40 DGAB CCc1nn(-c2ccccc2)c2nnc(-c3ccccc3)nc12 96316684 NTYAGFFJOZRURA-UHFFFAOYSA-N 301.353 3.440 0 40 DGAB FC(F)(F)[C@H](OC[C@@H]1CO1)c1cccc(Br)c1 95095934 ZKNNSXCHTDBVTE-VHSXEESVSA-N 311.097 3.468 0 40 DGAB COc1cccc(F)c1CN1CCC[C@@H]1c1nc(C)cn1C 257276595 NUKLOZCWWNFXRA-OAHLLOKOSA-N 303.381 3.213 0 40 DGAB O=C(Cc1coc2ccccc12)N1CCc2ccccc2[C@H]1CO 585081993 MMGWVTQWWLJVKK-GOSISDBHSA-N 321.376 3.094 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H]1c1ccnc(N(C)C)c1 257292438 QLLYDAMQLVHAQW-QGZVFWFLSA-N 313.449 3.262 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2ncc(C)s2)C1 257317050 VIDPFFGSEAZHCR-GFCCVEGCSA-N 319.430 3.330 0 40 DGAB COC1(c2noc(-c3ccc(OC(C)C)nc3)n2)CCCC1 273935764 LKSDWYMJWBEBJM-UHFFFAOYSA-N 303.362 3.335 0 40 DGAB O=C(Nc1ncnn1-c1ccccc1)[C@@H]1CCCC(F)(F)C1 289670049 GDYJACVCRBPVHK-LLVKDONJSA-N 306.316 3.031 0 40 DGAB CN1CCC(N(Cc2ccccc2F)C(=O)c2ccoc2)CC1 69704792 GHEYFZPNIPQCDP-UHFFFAOYSA-N 316.376 3.155 0 40 DGAB C[C@H]1C[C@@H](Nc2cccc(Oc3cnccn3)c2)[C@H](C)CN1C 97037317 RUEKHWQGCSDBRM-JKIFEVAISA-N 312.417 3.410 0 40 DGAB CCc1c(C)nc2ccccc2c1NC(=O)c1ccn(C)c(=O)c1 97166063 KZLFBAGVZJGDQR-UHFFFAOYSA-N 321.380 3.057 0 40 DGAB O=C(c1cccnc1)N1CCC(c2ccc3cccnc3n2)CC1 655265316 OODOGJVWNNPZSH-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB COc1ccc(C(=O)NCCCc2cccc(C)c2)cc1OC 13673613 FVTMVJOCJAMEJT-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB O=c1c2ccccc2nnn1COc1c(Cl)cccc1Cl 16660771 TYBHVUGLISGDIK-UHFFFAOYSA-N 322.151 3.135 0 40 DGAB CCC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@@H]2C)cc1 16739464 WKLGIIULCGMLEB-YQQAZPJKSA-N 319.445 3.282 0 40 DGAB O=C(c1ncccc1O)N1CCc2c1cccc2C(F)(F)F 153341654 TUAOYOKKURLYJP-UHFFFAOYSA-N 308.259 3.009 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 1889098061 FBSUFUPICNWTFK-ZDUSSCGKSA-N 323.318 3.462 0 40 DGAB Cc1cc(CNC(=O)c2ccn(-c3ccccc3)n2)ccc1F 32914337 KILBFZACIXHZFB-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Oc1cc(CN(Cc2ccccc2)Cc2ccccc2)nc(O)n1 408731459 MUIJHNJTCLFJAD-UHFFFAOYSA-N 321.380 3.090 0 40 DGAB O=C(/C=C/c1ccsc1)NCC[C@H](CCO)c1ccccc1 206626507 DWBXNPPYNZUSIL-DKRLNXSXSA-N 315.438 3.434 0 40 DGAB CO[C@H](CNC(=O)CSCc1ccccc1)c1ccco1 206860314 UFVHIFLGIHXSSZ-OAHLLOKOSA-N 305.399 3.017 0 40 DGAB Cc1ccc(N2C(=O)/C(=C/N(C)C)c3ccccc3C2=O)cc1 100255239 UWJLYSLTRMMHQB-SFQUDFHCSA-N 306.365 3.085 0 40 DGAB Cc1cc(C)nc(Nc2ncc(O)n2-c2cccc(Cl)c2)n1 182108 CZYHPVJKXOPKDU-UHFFFAOYSA-N 315.764 3.382 0 40 DGAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccccc1)CC2 152613 TZCQUDDDWLTRSZ-ZDUSSCGKSA-N 311.381 3.463 0 40 DGAB biogenic CC1(C)[C@]2(C(=O)N3CCc4ccccc4C3)CC[C@@]1(C)C(=O)C2 167310 GDTCGBFQPMGYMU-VQTJNVASSA-N 311.425 3.357 0 40 DGAB COc1ccc(O[C@H](C)C(=O)Nc2ccccc2OC)cc1 514331 SJLZTMAVENAILY-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB Cc1nc(SCC(=O)N[C@H]2CCCC[C@H]2C)nc(C)c1C 2621219 ZZOVYQGHRXWXEY-YGRLFVJLSA-N 307.463 3.189 0 40 DGAB FC(F)(F)c1ccc(NCc2ccc(-n3cncn3)cc2)nc1 52324879 SZBHKEHMIMETMH-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB CC(C)(C)C(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 11990497 LJKYBSCQMKLPQH-UHFFFAOYSA-N 317.410 3.455 0 40 DGAB COc1ccccc1CN(C)C(=S)N[C@H]1C[C@H]2CC[C@H]1C2 102323010 SBGFADXUYMWUHG-YDHLFZDLSA-N 304.459 3.190 0 40 DGAB COc1ccc([C@H](O)Cc2cc(=O)cc(-c3ccccc3)[nH]2)cc1 4878245 PXGLYVBTTITPPH-HXUWFJFHSA-N 321.376 3.327 0 40 DGAB CCCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1 6649428 JVCUFBMJEMFFMP-UHFFFAOYSA-N 310.397 3.398 0 40 DGAB Cc1cccc(-n2nc(CSc3nnc(C)s3)cc2O)c1 10157367 RTHLFXVPODLUPV-UHFFFAOYSA-N 318.427 3.339 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]1c1cccs1 8076166 DFWIXVPKYBQUCD-DOMZBBRYSA-N 315.394 3.252 0 40 DGAB CCOc1ccccc1[C@@H](CC(=O)OC1CCCC1)NC(C)=O 77559708 XDGJQTVDVYJPQW-MRXNPFEDSA-N 319.401 3.138 0 40 DGAB Cc1cc([C@H]2CCCN2c2nc3ccccc3cc2CO)no1 77911468 DARDIPBVWUOPMZ-QGZVFWFLSA-N 309.369 3.365 0 40 DGAB Cc1cccc(C)c1OCCCN1CCCC[C@@H]1C1OCCO1 78674139 WYZJIDHTMBAFQK-QGZVFWFLSA-N 319.445 3.300 0 40 DGAB Cc1cc(C(=O)N2c3ccccc3C[C@H]2C)c2c(C)nn(C)c2n1 22972317 JFUSGBXVEPWRMJ-GFCCVEGCSA-N 320.396 3.177 0 40 DGAB Cc1cccc(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1C 23183609 UIBMOLSEWSEMSG-HNNXBMFYSA-N 311.381 3.215 0 40 DGAB CNc1nc2c(s1)[C@H](c1ccc(OC)c(O)c1)CC(O)=N2 61718604 SMCQFXHUTTWTKN-QMMMGPOBSA-N 305.359 3.023 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCC(=O)Nc1cccnc1 23343339 QWSLSEQISUPSJB-CQSZACIVSA-N 305.422 3.133 0 40 DGAB O=C(c1cnc2ccccc2n1)N1CCC[C@@H](C(F)(F)F)C1 24183927 ZPSAGKUPNUJCQG-SNVBAGLBSA-N 309.291 3.044 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 106779044 XWRYPKRUCXHHBA-DLBZAZTESA-N 318.486 3.248 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1F 55674810 WQBVZCKEIKDPPA-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB CN(C)[C@H](CNC(=O)/C=C/c1ccccc1)c1ccsc1 25810432 UJGYAUDYSUBAFK-ROJDOSBLSA-N 300.427 3.180 0 40 DGAB Cc1nc2ccccc2n1CC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107491265 ZVYGPWPFKXMAPV-JYJNAYRXSA-N 311.429 3.287 0 40 DGAB O=C(Cc1cn2ccsc2n1)Nc1cccc2cnccc12 3230877 YOJJBMVDKPHKOO-UHFFFAOYSA-N 308.366 3.125 0 40 DGAB O=C(CCC(=O)c1ccccc1)NCCc1c[nH]c2ccccc12 2171911 RSBRWYJAUXCERN-UHFFFAOYSA-N 320.392 3.490 0 40 DGAB Cc1cc(CNC(=O)NC2(c3ccc(F)cc3)CCCC2)on1 171361178 BSDHUZZPIIPYGS-UHFFFAOYSA-N 317.364 3.391 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 3385801 CNYZOEHOSYTZMU-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(C)(C)OC(=O)N1CCN(CCCc2ccccc2)CC1 58723351 PNSMVTXJEUHNEE-UHFFFAOYSA-N 304.434 3.172 0 40 DGAB Cc1cccc(C)c1NC(=O)CNC(=O)c1cc2ccccc2o1 3452262 WLPVODRWCVSTSP-UHFFFAOYSA-N 322.364 3.418 0 40 DGAB O=C(Nc1ccccn1)Nc1ccccc1OCCn1ccnc1 69626198 BZIVHNYBAIPVSC-UHFFFAOYSA-N 323.356 3.001 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccncc2)cc1C 39973866 NQYUBGRJJWLTIS-AWEZNQCLSA-N 304.415 3.046 0 40 DGAB Cc1cccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)c1 5323532 SPGGGRDYWWMJHG-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccccc2OC)c1 5510822 GZCCFEMUEFKGHC-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB Cc1ccc(CSc2nnc(-c3cccc(F)c3)n2N)cc1 5675213 FPKXORDUOOTZJQ-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB CN(C)C(=O)/C=C/c1cn(-c2ccccc2)nc1-c1cccnc1 8747971 WNRQASLNMNMSAZ-ZHACJKMWSA-N 318.380 3.036 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)c(C)o1 5992278 MAFFKWUTTCGYHD-LLVKDONJSA-N 305.305 3.220 0 40 DGAB CCc1cccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1 67298259 KYTXQKNVTAQQEH-ZZEZOPTASA-N 308.337 3.032 0 40 DGAB O=C(c1ccc(F)cc1F)N1CCN(c2ccccc2F)CC1 15433580 OHNUTPXNDOHLNA-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB O=S(=O)(Cc1ccccc1)N(Cc1ccc(F)cc1)C1CC1 70830611 JELJYNBLURJPPV-UHFFFAOYSA-N 319.401 3.320 0 40 DGAB Cc1ccc(-c2noc(CNC(=O)/C=C/c3ccccc3)n2)cc1 7759143 PHTFBGZAHSCKPE-FMIVXFBMSA-N 319.364 3.375 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)Nc2cnccc2C)no1 96000143 KFXGVKSRVXSAGA-AWEZNQCLSA-N 315.377 3.231 0 40 DGAB O=C(/C=C/c1cnccn1)Nc1ccccc1OC1CCCC1 71819346 ZJVQHJPZQIBZBQ-MDZDMXLPSA-N 309.369 3.450 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCO[C@H](c2ccc(F)cc2)C1 71835252 YMXPDSNMTUSPFW-INMHGKMJSA-N 315.344 3.122 0 40 DGAB Cc1nc(CC(=O)N[C@@H](c2ccc(F)cc2)C2CC2)cs1 71888160 KSKZNHMZXWMQFV-MRXNPFEDSA-N 304.390 3.401 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2ccc(F)cc2)[C@@H]1C(=O)O 72233731 VYMSTISZOFZGCY-GXTWGEPZSA-N 323.364 3.078 0 40 DGAB O=C(Nc1ccncc1F)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 97135773 QFNSBOXXMNYMHW-RKDXNWHRSA-N 305.275 3.463 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)Nc2cnn(C(C)(C)C)c2)n1 97113329 VPXMETQSTLSXJA-JTQLQIEISA-N 321.450 3.328 0 40 DGAB O=C(O)[C@@H](Cc1nnc(-c2cccs2)o1)c1ccccc1 72307354 OIXJMBWFEFCUAB-NSHDSACASA-N 300.339 3.209 0 40 DGAB c1ccc2c(c1)SCCC[C@H]2NCc1nnc2ccccn12 95468596 WRQRMHHDPXWKTN-CQSZACIVSA-N 310.426 3.446 0 40 DGAB CC(=O)c1ccc(C(=O)N(CCc2nccs2)C(C)C)cc1 95436475 MTNMRYHZYFKXKM-UHFFFAOYSA-N 316.426 3.439 0 40 DGAB Cc1cnccc1CCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 95437988 RIFJFQHVJGLRDS-GFCCVEGCSA-N 319.355 3.271 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cccnc1OC 95963579 SDZYSBKQUZUFCM-ZDUSSCGKSA-N 304.321 3.025 0 40 DGAB CCS(=O)(=O)CCS[C@H]1CCc2c(F)cc(F)cc21 95982022 SNCYWOGQCOZZGL-ZDUSSCGKSA-N 306.399 3.120 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2cc(CC)no2)C1 89282939 VGAOJSPCBHDZET-TZMCWYRMSA-N 311.451 3.053 0 40 DGAB COc1ccc2cc(CNC(=O)Cc3c(C)noc3C)ccc2c1 9940442 OANSSCQWNMEFSJ-UHFFFAOYSA-N 324.380 3.312 0 40 DGAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-n2cccn2)cc1 75347576 KBHCMXBYTXMZHU-WMLDXEAASA-N 313.401 3.009 0 40 DGAB Cc1ccccc1C(=O)NC1=NCCCN1c1cccc(F)c1 28536455 CMEZNTRQKCDKPX-UHFFFAOYSA-N 311.360 3.130 0 40 DGAB Cc1ccnn1C[C@@H](C)CNC(=O)Nc1cccc(Cl)c1 36612020 MZPFYTWSKNNUOD-NSHDSACASA-N 306.797 3.303 0 40 DGAB Cc1cccc(NCC2CCN(Cc3nc(C)c(C)o3)CC2)n1 127956254 YLEXCQOAONUHME-UHFFFAOYSA-N 314.433 3.319 0 40 DGAB Cc1cncc([C@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 72369413 UOEHXLGGNAVKGG-SFHVURJKSA-N 321.424 3.440 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 32828129 NSGLMXDJOZBZLU-ZDUSSCGKSA-N 307.353 3.483 0 40 DGAB COC(=O)c1ccnc(NC(=O)c2ccccc2C(F)(F)F)c1 79311134 VMVBRIVIFQUERV-UHFFFAOYSA-N 324.258 3.139 0 40 DGAB CCc1noc(CC)c1CNC(=O)[C@@H]1CCc2ccccc2C1 564662584 ZWZGGYDYVXZPPF-OAHLLOKOSA-N 312.413 3.221 0 40 DGAB CSc1nccc(NC2CCN(C(=O)OC(C)(C)C)CC2)n1 72203190 CIHOZANBLQATLG-UHFFFAOYSA-N 324.450 3.010 0 40 DGAB COCCCn1ccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)n1 77513470 OECYLZSUSAHWAB-LBPRGKRZSA-N 320.393 3.012 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(=O)n(C)c2ccccc12 74715149 NODQYFSYZGWCRZ-ZDUSSCGKSA-N 318.376 3.130 0 40 DGAB c1ccc(CN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)nc1 72378618 BTJLJLGTCRZOSQ-INIZCTEOSA-N 319.412 3.042 0 40 DGAB CCOCCCNC(=O)[C@@H](C)Oc1ccc(C(C)(C)C)cc1 45291928 BZXJVAHRZJODDE-CQSZACIVSA-N 307.434 3.294 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 42646332 QHQRLFKXPWQVEP-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB Clc1cccc([C@H](NCCn2cccn2)c2ccccn2)c1 133760614 XBOQMRFIADIIAR-KRWDZBQOSA-N 312.804 3.311 0 40 DGAB C[C@@H](O)c1ccc(NC(=O)c2cncc(Br)c2)cc1 226272923 KRQANUBXQPKCTK-SECBINFHSA-N 321.174 3.150 0 40 DGAB CCC(=O)N1CCS/C1=C/c1csc(-c2cccnc2)n1 225263091 HQKZPRKXEVWKRI-RIYZIHGNSA-N 317.439 3.489 0 40 DGAB Cc1ncsc1CCS(=O)(=O)[C@@H]1CCCc2ccccc21 96450242 QJIHVZYXOSVTPX-MRXNPFEDSA-N 321.467 3.486 0 40 DGAB COc1ccccc1C[S@](=O)Cc1cn2cccc(C)c2n1 96459893 FOPJLCXSRLFHRC-JOCHJYFZSA-N 314.410 3.100 0 40 DGAB c1csc(CN2CCc3c(COCC4CC4)cncc3C2)n1 96189398 ZCXCQYUCGJXRDS-UHFFFAOYSA-N 315.442 3.023 0 40 DGAB Fc1ccc2c(c1)nc1n2[C@@H](CNCc2ccccc2)COC1 96112718 UWGYMCKOVJRSLM-HNNXBMFYSA-N 311.360 3.037 0 40 DGAB biogenic,in-vitro COc1ccc([C@@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C(C)C)cc1 330655463 NWACIWASNGCUFN-WDYCEAGBSA-N 319.445 3.450 0 40 DGAB CC(C)[C@H]1CO[C@@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1 96072040 LOESOPJPJRGQTL-RISCZKNCSA-N 315.339 3.137 0 40 DGAB c1ccc2c(c1)ncn2-c1ccc(-n2cnc3ccccc32)nn1 95115745 VAYPSZKYTJQVFI-UHFFFAOYSA-N 312.336 3.154 0 40 DGAB c1ccc(-c2cn(Cc3nc(-c4cccs4)no3)nn2)cc1 96474389 NDIRAGWGPAYWIA-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB Cc1cccnc1CSc1nnc(NC[C@@H]2CCCO2)s1 92850014 PVIUEQGPPGEZAB-NSHDSACASA-N 322.459 3.125 0 40 DGAB CCc1nnc(C[S@@](=O)Cc2ccc(CC(C)C)cc2)o1 95412820 ZFUXZHICYMFLMG-OAQYLSRUSA-N 306.431 3.279 0 40 DGAB CC(C)N1CC[C@@H](Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1 257304652 SMOHNWAYMZKVAB-HNNXBMFYSA-N 313.449 3.194 0 40 DGAB CCCn1ccc(COc2ccc(C=O)cc2Br)n1 575410957 PYDGTTMFIYFQPY-UHFFFAOYSA-N 323.190 3.447 0 40 DGAB CCc1nc([C@@H]2CCCCN2Cc2c(F)cncc2F)no1 929307921 YFZWHVKOJLEJFF-ZDUSSCGKSA-N 308.332 3.032 0 40 DGAB Cc1ccccc1C1(C(=O)N(C)Cc2ccccn2)CCOCC1 57435618 JDEVGWGHVQTRBI-UHFFFAOYSA-N 324.424 3.097 0 40 DGAB O=C(NO[C@H]1CCCCO1)c1cc(-c2cccc(Cl)c2)on1 58427890 PJVNSQKCENMUJB-AWEZNQCLSA-N 322.748 3.183 0 40 DGAB COC(=O)c1cc(Oc2ncccc2C(F)(F)F)ccc1N 95918009 XYWYNWWEWGJKQK-UHFFFAOYSA-N 312.247 3.262 0 40 DGAB CCOc1cc(/C=C2\SC(=O)N(CC)C2=O)ccc1OC 1124277 MNNJLNSANSUFIV-LCYFTJDESA-N 307.371 3.150 0 40 DGAB O[C@H](COc1ccc(Cl)cc1Cl)CN1CCCCC1 4914856 JQTXDVVWEIKREC-LBPRGKRZSA-N 304.217 3.219 0 40 DGAB Cc1ccc(S(=O)(=O)[C@]23N=NC(C)(C)[C@@H]2N=NC3(C)C)cc1 5766433 OZSJQDTYFLOKMG-SWLSCSKDSA-N 320.418 3.322 0 40 DGAB Cc1ccc2c(=O)c(O[C@@H](C)C(=O)O)c(-c3ccco3)oc2c1 1910767 MTXPICZJVCAGSB-JTQLQIEISA-N 314.293 3.213 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccnn2CCC(C)C)cc1 514847536 WQZMXMSPIDQPKV-UHFFFAOYSA-N 314.389 3.140 0 40 DGAB O=C(NCC1CCN(C2CCCC2)CC1)c1c(F)cccc1F 23127952 XBOFDAVKMRFTSF-UHFFFAOYSA-N 322.399 3.349 0 40 DGAB O=C(Nc1ncccn1)c1cc(-c2ccc(Cl)cc2)on1 21212477 MTVHCFZFLZKDQQ-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB CCCCOc1ccc(CCNC(=O)c2cc(C)no2)cc1 40122371 RJFQTSIAJCANKW-UHFFFAOYSA-N 302.374 3.134 0 40 DGAB COc1ccc(-c2n[nH]cc2CNCc2nc(C)cs2)cc1 30636382 ILGAUQDKOKDIIL-UHFFFAOYSA-N 314.414 3.140 0 40 DGAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C1CC1 410403 WPBIIHNEBYTKOM-UHFFFAOYSA-N 317.414 3.159 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cl)c1nnc2n1CCCCC2 29252550 MXQUUOPFUXXJLC-NSHDSACASA-N 318.808 3.149 0 40 DGAB COc1ccccc1CNC(=S)Nc1ccccc1OC 541686 AOZXNDUVLUYMDA-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB Cc1cnn(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)c1 69739043 GEHDLSIGVPBREB-UHFFFAOYSA-N 320.343 3.339 0 40 DGAB CCONC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 11739834 TWGNMKIXVVVASX-UHFFFAOYSA-N 323.348 3.450 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 8285596 KKQNEWISHMBNMQ-LLVKDONJSA-N 303.333 3.334 0 40 DGAB C[C@@H](NC(=O)[C@@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 89905063 WSOBWNKYEJGMLB-FZKQIMNGSA-N 300.446 3.083 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)Nc2nc(C)cs2)cc1 3454098 GXBFLUWJCBMCBX-UHFFFAOYSA-N 321.427 3.141 0 40 DGAB c1c(C23CC4CC(CC(C4)C2)C3)nc2nc3c(nn12)CCCC3 4126619 UDQORKABEBOYBL-UHFFFAOYSA-N 308.429 3.471 0 40 DGAB CC[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCOC(C)C 8478119 MFRHQHYOYSELFI-HNNXBMFYSA-N 313.825 3.429 0 40 DGAB CCc1ccccc1NC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 7724242 VBLMZAUVXZQGLU-KRWDZBQOSA-N 322.408 3.236 0 40 DGAB CNCCCNCc1ccccc1OCc1ccccc1F 8377271 IXNRUMZYBYXLJF-UHFFFAOYSA-N 302.393 3.104 0 40 DGAB Cc1cc(C)c(CNCCS(=O)(=O)c2ccccc2)c(C)c1 58007857 RNVTUWSJMUWMEO-UHFFFAOYSA-N 317.454 3.175 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2sccc2C)n1 41408947 UVCZBPIBMXFUMP-LLVKDONJSA-N 320.462 3.005 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c(C)c1 20431725 PJNJSWVCZPSNOH-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB CN(C)c1cc(C(=O)N[C@H]2CCSc3ccccc32)ccn1 47058520 JQRCFLYDRMWTBT-AWEZNQCLSA-N 313.426 3.115 0 40 DGAB CS[C@@H](C)C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 43008429 KDMHQVNEVVAHHH-JSGCOSHPSA-N 321.442 3.263 0 40 DGAB C[C@H](NC(=O)c1cn2ccccc2n1)c1ccc(F)cc1F 12520429 FNMFSGZBKJSXCV-JTQLQIEISA-N 301.296 3.104 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)CNC(=O)Nc1ccccc1 25616033 OZLPTNJWFISOEE-AWEZNQCLSA-N 311.385 3.028 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCCc1ccccc1 3368601 RYDGLQTWDIMVBP-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 58338998 CMQCBPUMAKYVNV-OAHLLOKOSA-N 312.369 3.153 0 40 DGAB COc1ccc(-c2nn3c(C(C)(C)C)nnc3s2)cc1OC 2203469 GDQQBRDLKXLQDZ-UHFFFAOYSA-N 318.402 3.168 0 40 DGAB CCCCc1ccc(NC(=O)N[C@@H](CCSC)C(=O)O)cc1 2399844 CLBDKGFYRRTFPJ-AWEZNQCLSA-N 324.446 3.357 0 40 DGAB CC(C)N(C(=O)CN1CCc2ccccc2C1)c1ccccc1 58874179 RYRMVNRIOVBLJT-UHFFFAOYSA-N 308.425 3.486 0 40 DGAB CC(C)(C)CC(C)(C)NC(=O)c1ccc(N2CCOCC2)cc1 63918997 FITLXQBAOUEKHP-UHFFFAOYSA-N 318.461 3.468 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccc(-n3cccn3)cc2)c1 69459783 PKALIVIHIHTYIX-CVEARBPZSA-N 309.417 3.117 0 40 DGAB Cc1ccc(CNC(=O)C2(c3cccc(Cl)c3)CC2)cn1 49199126 IJCBYPAJOCVWNR-UHFFFAOYSA-N 300.789 3.391 0 40 DGAB C[C@@H](Oc1ccccc1Br)C(=O)NCc1ccco1 13328596 KUHPJOUBQBDDLJ-SNVBAGLBSA-N 324.174 3.126 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3ccnc3)C2)s1 69662070 VVBAPLGBJFUQJV-ZNMIVQPWSA-N 315.442 3.220 0 40 DGAB COC(=O)Cc1ccc(OCc2nc(-c3ccccc3)no2)cc1 5454436 AXUGITKNYABKOT-UHFFFAOYSA-N 324.336 3.031 0 40 DGAB COC(=O)c1ccc(C)c(NCCOc2ccc(OC)cc2)c1 14703435 IZAJTEIETLENSC-UHFFFAOYSA-N 315.369 3.281 0 40 DGAB Cc1cc(-c2ccccc2)nc(S[C@@H](C)C(=O)N(C)C)n1 7625170 CAMOCGHHJNZGTO-LBPRGKRZSA-N 301.415 3.021 0 40 DGAB COc1ccc(C)cc1CN1C(=O)NC2(CCCCCC2)C1=O 7825270 ZIZKJPBNNDYROR-UHFFFAOYSA-N 316.401 3.148 0 40 DGAB CC(=O)SCC(=O)Nc1nc(-c2ccc(C)cc2)cs1 9320350 QGGBMGCOTIMOCP-UHFFFAOYSA-N 306.412 3.337 0 40 DGAB CCOc1ccccc1-c1noc(COc2cccnc2C)n1 97082588 WEGKQDCLTZCORK-UHFFFAOYSA-N 311.341 3.418 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 96440273 ZXAJYKGQXZYNSZ-ZWKOPEQDSA-N 311.451 3.326 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)n1 72235662 ZFBOJTKRBNDBJU-CQSZACIVSA-N 319.355 3.255 0 40 DGAB C[C@@H]1SCCN(C(=O)c2ccc(-c3cnco3)cc2)[C@H]1C 71911084 DMOBUAUORPACCB-RYUDHWBXSA-N 302.399 3.308 0 40 DGAB Cc1cccc(C)c1OC[C@H](C)NC(=O)c1cc(C2CC2)on1 84225439 MEQUIPRABAZHGL-ZDUSSCGKSA-N 314.385 3.366 0 40 DGAB C[C@H](CN(C)C(=O)NC[C@H]1Cc2ccccc21)c1nccs1 97107884 DEJAPOIDTCRPBS-TZMCWYRMSA-N 315.442 3.228 0 40 DGAB Cc1ccc(CN(C)C(=O)CN(C)c2c(C)noc2C)c(C)c1 72308944 TVNVPTQUJPISFX-UHFFFAOYSA-N 315.417 3.003 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 84637002 GADFETGEPJZPFG-STQMWFEESA-N 311.853 3.432 0 40 DGAB Cc1ccc(C(=O)CN2CCN(c3ccccc3C)CC2)cc1 67206447 YPUBVCGCFTXROR-UHFFFAOYSA-N 308.425 3.308 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cc(F)ccc1F 78896988 XIRBSCIULUCRRS-BWACUDIHSA-N 322.399 3.262 0 40 DGAB Cc1cc(C)c(CN[C@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C 78898407 IXTDTCZVYIDDFO-APWZRJJASA-N 314.473 3.348 0 40 DGAB CSCC[C@@H](C)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984003 IOXUKNPMXVWZED-ZWNOBZJWSA-N 310.467 3.015 0 40 DGAB CC[C@H](NC(=O)NC(C)(C)c1nccs1)c1ccncc1 74441286 YSCRWRVWEKSTLW-LBPRGKRZSA-N 304.419 3.224 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)c2ccc3c(c2)OCO3)cc1 28243151 VKUYWQHJHLWQPD-UHFFFAOYSA-N 321.336 3.162 0 40 DGAB COCc1nccc([C@H]2CCCN(CC3CCCCC3)C2)n1 89420448 XUCTXALPWSOQJT-INIZCTEOSA-N 303.450 3.383 0 40 DGAB CN(C)Cc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)cc1 79361419 HGCZDSSGWNFWEB-IBGZPJMESA-N 324.424 3.391 0 40 DGAB CC(C)[C@H](C)Nc1ccc(Cl)c(C(=O)NCc2ncc[nH]2)c1 75092969 ZIAJBHZUHXQLRC-NSHDSACASA-N 320.824 3.450 0 40 DGAB CC(C)c1nc(C(=O)N2CCCCC2)nn1-c1cccc(F)c1 89893578 PYNOKEMRGYECNH-UHFFFAOYSA-N 316.380 3.156 0 40 DGAB O=C1NC(=O)/C(=C\c2ccc(-c3ccc(Cl)cc3Cl)o2)N1 408822017 CLTZCFDMRXTHDJ-IZZDOVSWSA-N 323.135 3.434 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 33604245 OGGQAUICQKCLAI-CQSZACIVSA-N 304.390 3.056 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F 32585582 CFMDJMDABUWQJT-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CCn1cnc2c(Nc3ccc(OC(F)F)c(F)c3)ncnc21 518907152 NYQQPRWWUYZSRX-UHFFFAOYSA-N 323.278 3.330 0 40 DGAB NCc1cccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)c1 36720758 ISQDMXFWOIHKJS-UHFFFAOYSA-N 324.302 3.182 0 40 DGAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 530180448 ZWHMIKAIYGUSBO-ZSBIGDGJSA-N 321.808 3.061 0 40 DGAB Cc1nccn1-c1cncc([C@H]2CCCN2C2CCCCC2)n1 72378715 DVGZURQMZNEVCL-QGZVFWFLSA-N 311.433 3.440 0 40 DGAB COc1cccc(CNC(C)(C)c2noc(C(C)(C)C)n2)c1 78555844 UQISQOHJGGQDGB-UHFFFAOYSA-N 303.406 3.401 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)OCc3ccccn3)c12 36726090 DVMACUGKNUPQSI-UHFFFAOYSA-N 309.325 3.161 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)NCc1cccs1 32403541 HCNJSNDACVCZLU-UHFFFAOYSA-N 301.820 3.188 0 40 DGAB CN(Cc1nnc[nH]1)C(=O)Nc1ccc(SC(C)(C)C)cc1 186934679 ZDVJCSXXMHBUBJ-UHFFFAOYSA-N 319.434 3.359 0 40 DGAB C[C@@H](O)C1CCN(C(=O)C(C)(C)c2cccc(Cl)c2)CC1 76621320 UZFAZUGXUBPWOK-GFCCVEGCSA-N 309.837 3.237 0 40 DGAB Cc1cc(C)n2nc(S[C@H]3CCOC4(CCCC4)C3)nc2n1 521394522 LDLLZXPPTKABJP-ZDUSSCGKSA-N 318.446 3.325 0 40 DGAB CC(=O)c1ccc(CCNC(=O)/C=C/c2ccsc2)s1 225672135 ACBLQKSXOIJVLD-GORDUTHDSA-N 305.424 3.384 0 40 DGAB CCOc1ccccc1CNC(=S)Nc1cc(C)ccn1 225444128 SRHZEJGMTXFZSJ-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)NCC(C)C)o2)cc1 224851859 DOAYYVLWQBSUDR-UHFFFAOYSA-N 302.374 3.055 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)on1 91058905 QTNVFZSDNRNXKL-TZMCWYRMSA-N 324.739 3.036 0 40 DGAB COc1ccc([C@@H](C)NCc2ccon2)c(Br)c1 97231019 ZDOSESMTAVLKEG-SECBINFHSA-N 311.179 3.297 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC[C@H](O)C1 96426212 DLXTZBOBKPZXQX-BFHYXJOUSA-N 314.212 3.080 0 40 DGAB CCOc1cccnc1C(=O)N(C)Cc1ccc(F)cc1F 96451165 YCNNKPWYKXRVNK-UHFFFAOYSA-N 306.312 3.031 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1 96192508 VOZOCYBNYWMPJZ-JCGVRSQUSA-N 318.392 3.213 0 40 DGAB CO[C@@H](C)CN(C)C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C 585082680 HUIOZBNDLKMNDK-JTQLQIEISA-N 321.808 3.145 0 40 DGAB CN1CCC(c2cccc(-c3cc(F)ccc3C(=O)O)n2)CC1 257228078 FSFOFWDUCMNFAH-UHFFFAOYSA-N 314.360 3.395 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257336827 YQFAVORWFDAGBD-GOSISDBHSA-N 323.440 3.237 0 40 DGAB CCCCN(C)C(=O)Nc1cccc(NC(=O)OCCOC)c1 65622742 SGCONWVOVSJKMQ-UHFFFAOYSA-N 323.393 3.145 0 40 DGAB CCOC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 85471711 YWMBTWDYNBRYCP-UHFFFAOYSA-N 318.295 3.100 0 40 DGAB c1ccc(C2=NN(CNc3ncn[nH]3)[C@@H](c3ccccc3)C2)cc1 5666840 MCNXNIDDSWPSIY-QGZVFWFLSA-N 318.384 3.025 0 40 DGAB CCCCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)OC)c12 11766060 JPEQMVJYSHIEPJ-LBPRGKRZSA-N 318.369 3.384 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2-c1ccc(F)cc1)C1CCC1 12183164 LSKZKGVVSRXBKW-INIZCTEOSA-N 313.376 3.305 0 40 DGAB COc1ccc([C@@H](C)NC(=O)CCn2ccc3ccncc32)cc1 12220839 KVAGSMQAFJDJEQ-CQSZACIVSA-N 323.396 3.312 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 13710086 XUURBULGXCVKGH-JTQLQIEISA-N 319.744 3.444 0 40 DGAB Cc1ccc(-c2c(-c3ccncc3)cnc3cc(C)nn23)cn1 19214966 KQBHDHJONDOLHB-UHFFFAOYSA-N 301.353 3.470 0 40 DGAB Fc1cccc(-c2nnn(Cc3nc4ccccc4s3)n2)c1 5088717 CZUSBLIMMWIEQE-UHFFFAOYSA-N 311.345 3.137 0 40 DGAB Clc1cnc(N2CC(N3C[C@H]4CCC[C@@H]4C3)C2)c(Cl)c1 1889081507 MFVQFDMRTSVIIR-GHMZBOCLSA-N 312.244 3.309 0 40 DGAB CC(C)[C@@H]1NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C1=O 14673637 ZQVUEYVRAQNFOB-NSHDSACASA-N 301.173 3.070 0 40 DGAB CN(C)c1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 15614647 KHGHPTTWQNGRHK-UHFFFAOYSA-N 323.396 3.132 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)Cc1cccs1 42060545 OJIIRKQMMFUIRH-UHFFFAOYSA-N 314.204 3.305 0 40 DGAB Cc1cc2cc(CNC(=O)COc3ccccc3)ccc2n1C 4061542 YPFLGYCXKAHFLY-UHFFFAOYSA-N 308.381 3.182 0 40 DGAB Cc1c(NS(C)(=O)=O)cccc1-c1nc2cccnc2s1 4036399 JXYVQRHGHPQRIV-UHFFFAOYSA-N 319.411 3.038 0 40 DGAB CCn1c(=S)sc2c(=O)[nH]c(-c3ccccc3F)nc21 4625030 RKFSKYQLCDIITD-UHFFFAOYSA-N 307.375 3.342 0 40 DGAB CCc1ccc(-n2ncc(C(=O)NC(C)C)c2-n2cccc2)cc1 22576436 CTYWMUZPMZTBQF-UHFFFAOYSA-N 322.412 3.364 0 40 DGAB COc1ccc2c(c1)CCC[C@]2(O)CNc1nc2ccccc2o1 1775970796 RGJYMZIHCAKTON-IBGZPJMESA-N 324.380 3.472 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)[C@H]1CC=CCC1 585147906 HBTSKPFAOVFWRN-IRXDYDNUSA-N 311.381 3.453 0 40 DGAB O=C([C@H](Nc1cccc(CO)c1)c1ccccc1)N1CCCCC1 40466183 ZEUXWPHIIFQEDJ-LJQANCHMSA-N 324.424 3.345 0 40 DGAB Cc1ccsc1C(=O)NC1CCN(Cc2ccccc2)CC1 40459679 BJMZYBMQENEULA-UHFFFAOYSA-N 314.454 3.451 0 40 DGAB CCOc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3)C2=O)cc1 242437 OGFQAFUQQHLVDQ-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB Cc1ncc(S(C)(=O)=O)c(-c2ccc(Cl)c(Cl)c2)n1 1393341 CUCYBJZLIXRGRM-UHFFFAOYSA-N 317.197 3.162 0 40 DGAB CN(C)N1C(=O)c2ccc(Cl)c3c(Cl)ccc(c23)C1=O 1027509 QFGJKYDAGUKHKQ-UHFFFAOYSA-N 309.152 3.219 0 40 DGAB O=C(Nc1cccc(Cl)c1-n1cncn1)[C@H]1C[C@H]2C=C[C@H]1C2 102174900 GADKZLOHRZNUAJ-SRVKXCTJSA-N 314.776 3.071 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@@H](C)OC[C@H]3C)cs2)cc1 32797044 SSJISBGLEHXDOP-CHWSQXEVSA-N 316.426 3.368 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(C)c2O)cc1 3527554 OWSBZLXJVHWSMF-CYBMUJFWSA-N 313.353 3.193 0 40 DGAB O=C(Cc1ccccc1F)Oc1cnc(-c2ccccc2)nc1 32818863 PNRPLSDNVIXDMM-UHFFFAOYSA-N 308.312 3.431 0 40 DGAB Cc1ccc(-n2ncc3c(N4CCC[C@H](C)C4)ncnc32)cc1 4355029 SRMDUHBOVWQHCJ-AWEZNQCLSA-N 307.401 3.360 0 40 DGAB CC(C)(C)C1=N/C(=C/c2cc(Cl)c3c(c2)OCCO3)C(=O)O1 32888137 DKCSPHRCYXJNMH-YRNVUSSQSA-N 321.760 3.454 0 40 DGAB O=C1S/C(=C/c2ccccc2Cl)C(=O)N1CN1CCCC1 59457406 QUDNWCZVHLJSRM-UKTHLTGXSA-N 322.817 3.430 0 40 DGAB NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1Cl 579421 RFEWLOLCEMOLJW-MDZDMXLPSA-N 300.745 3.091 0 40 DGAB C[C@@H](C(=O)NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1 46900257 CWIBNDSVCKDMFH-IILDEKEXSA-N 301.434 3.167 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2ccccc2Cl)CC1 108981075 BTUWOUOAUOCRLY-SOUVJXGZSA-N 318.848 3.425 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Cc1cccs1 57252408 MFLKFQUYHYTHSR-AWEZNQCLSA-N 317.458 3.436 0 40 DGAB CN(C)[C@@H]1CCOC2(CCN(Cc3ccccc3Cl)CC2)C1 108527800 YFRSPACCFOOXMB-MRXNPFEDSA-N 322.880 3.415 0 40 DGAB Cc1c(-c2nc3ccccc3[nH]2)c(N)n(C[C@@H]2CCCO2)c1C 102420388 LRSGJTWGUKYBFR-ZDUSSCGKSA-N 310.401 3.409 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)NC[C@@H]1CCCc2ccccc21 34425418 ZGPTXTVSKAWTAG-INIZCTEOSA-N 323.392 3.194 0 40 DGAB CCCc1nc(Nc2cnn(CC)c2)c2c(n1)c(C)nn2CC 57355823 HDRCBMUJZHXHHZ-UHFFFAOYSA-N 313.409 3.067 0 40 DGAB Cc1cc(CNC(=O)CN(C)[C@H](C)c2ccccc2)ccc1F 24687039 YKAUIENNJFNPGH-OAHLLOKOSA-N 314.404 3.443 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)NCc2ccccn2)c1C 12545372 IACRJEVUCWURKE-UHFFFAOYSA-N 311.410 3.481 0 40 DGAB O=C(Cc1noc2ccccc12)NCc1cccc(Cl)c1 1395273 WFXUTIBHKBEKRA-UHFFFAOYSA-N 300.745 3.340 0 40 DGAB Nc1nc(Cl)cc(N[C@H](c2ccccc2)c2ccccn2)n1 43534763 QLDKRJUSTHDMQV-OAHLLOKOSA-N 311.776 3.309 0 40 DGAB C[C@H]1COCCN1c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 110606990 JKUQSUGEBRZENR-XSWJXKHESA-N 312.413 3.062 0 40 DGAB COC[C@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1 23103095 KVDGKTQXULRJBG-JTQLQIEISA-N 321.471 3.440 0 40 DGAB CC[C@@H](C)N(C)CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 107578470 XLWASFMLSARGGW-HZPDHXFCSA-N 305.466 3.428 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(Cc3cccs3)CC2)n1 44585668 SWYBTRJZQVPLKO-CYBMUJFWSA-N 320.462 3.133 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@H](C)c1nc(C(C)C)no1 76047072 CWROFAJSQKOSTP-DGCLKSJQSA-N 303.410 3.138 0 40 DGAB Cn1ccs/c1=N\C(=O)c1cc(C2CC2)nc2ccccc12 58378170 UNKDNCGDVUVHMO-ZPHPHTNESA-N 309.394 3.253 0 40 DGAB COCCn1c(-c2ccccc2)nc2nc3ccccc3nc21 2399584 VJYCEHQNDIGHHV-UHFFFAOYSA-N 304.353 3.293 0 40 DGAB C[C@@H](NC(=O)c1cncc(Br)c1)c1ccc(F)cc1 3333667 CKAWXZKBMTYOKT-SECBINFHSA-N 323.165 3.474 0 40 DGAB Cc1cc(C)c2nc3s/c(=C/c4cccc(F)c4)c(=O)n3c2c1 408975735 MDUFWXVUHSZXCG-OQLLNIDSSA-N 324.380 3.213 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@H]2C)c1 3317364 SRVRXETYBLYIOJ-GDBMZVCRSA-N 303.402 3.155 0 40 DGAB C[C@@H](NC(=O)c1ccc(C(F)(F)F)nc1O)c1cccs1 48265156 ZHRMIPLAFFPFLZ-SSDOTTSWSA-N 316.304 3.359 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2c(F)cccc2F)C1 48270442 RXFCIXIOFMVBRA-CHWSQXEVSA-N 310.388 3.063 0 40 DGAB CN(Cc1ccccc1)C(=O)CC[C@H]1Cc2ccccc2NC1=O 48248699 CDWKJGIYYBNCBD-KRWDZBQOSA-N 322.408 3.236 0 40 DGAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCO2 12783603 SPTCVMFBBNUSIO-UHFFFAOYSA-N 313.397 3.362 0 40 DGAB CCOc1ccc(NC(=O)CN(C)Cc2ccccc2F)cc1 3420037 ICYUJKZYZRKTQU-UHFFFAOYSA-N 316.376 3.295 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CCCN2c2nccs2)cc1 78384117 LOJZVSGMEWPUPQ-AWEZNQCLSA-N 301.415 3.313 0 40 DGAB C[C@H](CCc1ccco1)NC(=O)c1ccc2c(c1)OCCCO2 69569299 YSYYNPCXNXBOHU-CYBMUJFWSA-N 315.369 3.192 0 40 DGAB Cc1ccccc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 13176235 RBSSBBRSWPRCSF-OAHLLOKOSA-N 301.317 3.080 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCO[C@@H]2CCCC[C@@H]21 69512959 YBISTGLAQSWLRU-LSDHHAIUSA-N 319.449 3.039 0 40 DGAB Cc1nc2c3ccccc3nc(NCCCc3nccs3)n2n1 69631696 CFNYYIIKNGRZSH-UHFFFAOYSA-N 324.413 3.087 0 40 DGAB COC(=O)c1oc2c(c1C)C(=O)C[C@@H](c1ccc(OC)cc1)C2 4085158 TWUZBTKJFURUHE-GFCCVEGCSA-N 314.337 3.296 0 40 DGAB biogenic Cc1ccc(CC(=O)OCC(=O)Nc2cccc(C)c2C)cc1 17948806 WZJMLBBLJFCPBC-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB C[C@@H](OC(=O)c1ccccc1F)C(=O)NCC1CCCCC1 6059408 LJTHHQHMDOBNSU-GFCCVEGCSA-N 307.365 3.068 0 40 DGAB Cc1cccc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2)c1 69810387 UPOOEGOZUGIFKM-LHSJRXKWSA-N 301.411 3.271 0 40 DGAB NNc1ncnc2cc(-c3ccc(Br)cc3)sc12 4207195 YJNXOQFXRIRQMJ-UHFFFAOYSA-N 321.203 3.406 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](n3ccnc3)C2)C1(C)C 69895699 NREGRAXTCWAVKI-ARFHVFGLSA-N 301.434 3.285 0 40 DGAB CSCC[C@H](NC(=O)C1CCC(C(C)(C)C)CC1)C(=O)O 6357202 IKNZYRJATZFKEJ-BPCQOVAHSA-N 315.479 3.161 0 40 DGAB O[C@@H](CN1CC[C@@H](c2ccccc2)C1)c1cc(F)ccc1F 65604910 OMEWPFPWQIRGJZ-KDOFPFPSSA-N 303.352 3.488 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NCCC1=CCCCC1 4676834 PFXLOBHQUZASNK-UHFFFAOYSA-N 300.402 3.194 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCO 4724892 XMQIBRFROQKIOJ-SFHVURJKSA-N 306.365 3.014 0 40 DGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](Cc2ccccc2)N1 4718972 HWVBMNPLBQARLT-IRXDYDNUSA-N 306.365 3.051 0 40 DGAB biogenic CC[C@H](NC(=O)CSc1ncccn1)c1ccc(C)cc1 6850083 QDSRFSYXLQKCGF-AWEZNQCLSA-N 301.415 3.145 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)c1 6982012 LHFYAVVBARONKU-INIZCTEOSA-N 310.353 3.004 0 40 DGAB Cc1cc(C)n(CCSc2nc(-c3cccs3)n[nH]2)n1 68043449 YLNWRPDGSAZPJV-UHFFFAOYSA-N 305.432 3.139 0 40 DGAB C[C@H](CNC(=O)NC[C@@H](C)c1nccs1)c1cccs1 96013810 BIAKGAFZVSKYLS-GHMZBOCLSA-N 309.460 3.411 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC[C@@]2(O)CCc3ccccc32)c1 90780106 DOGDSMWIVWTNCD-XOBRGWDASA-N 324.424 3.130 0 40 DGAB Cc1ccc(CC(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1C 81094829 WCFXLMAIAFEEPI-UHFFFAOYSA-N 313.401 3.102 0 40 DGAB Cc1nc(-c2ccccc2Cl)nc2sc(C(N)=O)c(N)c12 9135214 LGWKDADYHCQDFP-UHFFFAOYSA-N 318.789 3.001 0 40 DGAB CCc1ccc(O[C@H](C)C(=O)Nc2cc(N)ccc2OC)cc1 19736227 ZHRSKBKUPSSGBN-GFCCVEGCSA-N 314.385 3.246 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 9305176 PZOKEXXQPHYOAM-OAHLLOKOSA-N 318.348 3.489 0 40 DGAB CCOC[C@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 93838873 YQITYADVKKDJCA-KRWDZBQOSA-N 313.445 3.348 0 40 DGAB c1ccc(-c2cc(CN3CCC[C@H]3Cn3cccn3)on2)cc1 71875586 FJXPNWXTWPKZOS-INIZCTEOSA-N 308.385 3.203 0 40 DGAB CCc1nc(C)ncc1C(=O)OCc1coc(-c2ccccc2)n1 71911248 ZMYFFJZIXBIPRL-UHFFFAOYSA-N 323.352 3.359 0 40 DGAB CC(=O)Nc1ccc(/C=C2/N=C(c3ccc(F)cc3)OC2=O)cc1 96634984 NKMSQQSDCFNTSG-MHWRWJLKSA-N 324.311 3.129 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc(CCC(=O)O)cc2)o1 97018947 RMJUFGINQIZMFZ-UHFFFAOYSA-N 301.342 3.177 0 40 DGAB CCOc1ccccc1CN(C)CC(=O)NCC1CCCCC1 97475998 LJLWCRYDQGUASM-UHFFFAOYSA-N 318.461 3.214 0 40 DGAB CC(=O)N1CC[C@H](NCc2ccc(C(C)(C)C)cc2)[C@@H](C)C1 84714852 ZQYZBBYDDZOQAU-KSSFIOAISA-N 302.462 3.331 0 40 DGAB COCc1nc2n(n1)[C@H](c1ccc(C(C)C)cc1)C[C@H](C)N2 95471697 NSNUWWFSSDVLLZ-WFASDCNBSA-N 300.406 3.341 0 40 DGAB Fc1cccc(CN2CCN3CCOc4cccc2c43)c1F 95458274 ARXMLLNDHWEZGZ-UHFFFAOYSA-N 302.324 3.184 0 40 DGAB Cc1nc2c3ccccc3nc(N[C@H](C)Cc3ccoc3)n2n1 84929561 BSMJGLVTFGSZPB-LLVKDONJSA-N 307.357 3.222 0 40 DGAB Cc1cccc2c(-c3ccc(CN4CCN(C)CC4)cn3)c[nH]c12 67947828 VTBISQVDXRBHQD-UHFFFAOYSA-N 320.440 3.286 0 40 DGAB C[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1cc2ccccc2o1 75093752 ZTLQDGSEPWEFOB-LBPRGKRZSA-N 322.364 3.203 0 40 DGAB Cc1ccc(C(=O)N2CC[S@@](=O)C[C@@H]2c2ccccc2)s1 89656260 LBGXKWIFJHPVGU-SZNDQCEHSA-N 319.451 3.002 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)N1C[C@H]2CCC[C@H]2C1 122221876 HXPKQSJGRHMYKP-BETUJISGSA-N 322.380 3.115 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 64799482 SPDSQBFGPHVQMK-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2cc(F)ccc2F)CC1 1004021077 PTSDLYIJJYMFKQ-UHFFFAOYSA-N 310.388 3.092 0 40 DGAB Cc1ccccc1CCNC(=O)c1ccn(-c2ccccc2)n1 32914169 FDELSRAHHKXYSU-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB CC(C)Oc1ccc(CNS(=O)(=O)c2cccs2)cc1 74988436 MPGJHDOYQBLWJU-UHFFFAOYSA-N 311.428 3.014 0 40 DGAB CCC(=O)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384757 PVTUAEDVNPZUDS-GFCCVEGCSA-N 302.403 3.355 0 40 DGAB O=C(CN1CCc2ccccc2C1)Nc1c[nH]c2ccccc12 72405101 MZFUMDHDAJUXGY-UHFFFAOYSA-N 305.381 3.165 0 40 DGAB Cc1nc(N)c2c(C)c(C(=O)N3C[C@@H](C)CC[C@@H]3C)sc2n1 1565995861 BHHFQOUAUTYSGR-IUCAKERBSA-N 318.446 3.151 0 40 DGAB COc1ccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 36635479 TXONPOXAAMBPHA-INIZCTEOSA-N 324.380 3.056 0 40 DGAB O=C(NCc1ccc(Cl)s1)c1cc(Br)c[nH]1 29170739 KVIDDQCOGIHSQT-UHFFFAOYSA-N 319.611 3.422 0 40 DGAB CC(C)Oc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 42646731 XREYLOJMXHJQBE-BBRMVZONSA-N 318.417 3.107 0 40 DGAB O[C@H](CSCc1ccn(-c2ccccc2)n1)C(F)(F)F 191124996 FUZUDIWVCDNRNA-GFCCVEGCSA-N 302.321 3.029 0 40 DGAB COC(=O)c1ccc(NC(=O)c2csc(NC(C)C)n2)cc1 40288397 LSYGKAATTVDFSV-UHFFFAOYSA-N 319.386 3.002 0 40 DGAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)c(C)c1 225709827 SUUKSNKMQGXVPE-HNNXBMFYSA-N 322.430 3.338 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1 42161865 HXIPQTIRBHIGSZ-SCLBCKFNSA-N 311.381 3.266 0 40 DGAB Fc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222327528 MPKNCPVSEPNVPJ-NUJGCVRESA-N 300.421 3.156 0 40 DGAB Cc1ccoc1C(=O)Nc1ccc2ccn(CCN(C)C)c2c1 96418432 AXTWLPQQNCQUHC-UHFFFAOYSA-N 311.385 3.357 0 40 DGAB c1cncc(CN2CCC3(CCN(Cc4ccoc4)CC3)C2)c1 96046507 POUOPHQXUBKZOM-UHFFFAOYSA-N 311.429 3.163 0 40 DGAB O=C(NCc1ccccc1OCC1CC1)[C@@H]1C[C@@H]1c1cccnc1 96416763 AKCFOQNGHPLJON-QZTJIDSGSA-N 322.408 3.290 0 40 DGAB COc1ccc2sc(C(=O)N[C@@H]3CCCOC3)c(C)c2c1 96425118 XRIZCMDSLALZMH-LLVKDONJSA-N 305.399 3.127 0 40 DGAB COC(C)(C)C[C@@H](C)NC(=O)N[C@@H](c1ccccn1)C(C)C 96440625 PUSFECARALSWPC-UKRRQHHQSA-N 307.438 3.282 0 40 DGAB CCOC(=O)N[C@H]1CCCN(Cc2cnc3ccsc3c2)C1 96489786 IGKMQMVRIJJJJV-ZDUSSCGKSA-N 319.430 3.007 0 40 DGAB Cn1cnnc1CN1CCCCC[C@H]1/C=C/c1cccs1 97370616 UKOCHPUXXGUSPU-VFNNOXKTSA-N 302.447 3.335 0 40 DGAB COC(=O)[C@@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 97095201 DJLJQXFOMGAELT-LLVKDONJSA-N 310.781 3.065 0 40 DGAB Cc1ccc(-c2nc(C(=O)N(C)Cc3ccccc3)no2)cc1 96125450 OKVRDRWOVGSQRZ-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB Cc1noc(C)c1CCC(=O)Oc1cccc2c1CCCC2=O 96442762 KOYOXSROUDQKDB-UHFFFAOYSA-N 313.353 3.349 0 40 DGAB Cc1nn(C(C)C)cc1CNc1cc(C(N)=O)ccc1Cl 585139140 KMVJNULHGIXJIV-UHFFFAOYSA-N 306.797 3.137 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)n1cc(COc2ccccc2)nn1 257173300 JBVLRONKJPJJSM-AWEZNQCLSA-N 322.368 3.057 0 40 DGAB COc1ccc(N(C)c2cc(C3CCNCC3)nc(C)n2)cc1 257214683 CNAPHQMOHBWWFJ-UHFFFAOYSA-N 312.417 3.029 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)n1 257222207 DSJNZQHQBOOIOI-AWEZNQCLSA-N 321.783 3.417 0 40 DGAB COc1cc(C)c(CN2CCN(c3ccccc3)CC2)c(C)n1 359227578 LSIOHUNOLACLGU-UHFFFAOYSA-N 311.429 3.029 0 40 DGAB COc1ccc2cc(C(=O)NCCc3ccsc3)[nH]c2c1 96120196 ZUGVZFVTNVDVOV-UHFFFAOYSA-N 300.383 3.211 0 40 DGAB CC(C)[C@@H](C(=O)Nc1ccc2c(c1)OCCCO2)n1cccc1 575443291 JBHAQONGIIQNPQ-KRWDZBQOSA-N 314.385 3.485 0 40 DGAB CCCCS[C@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 57451369 XKFPZLXJIZZDBA-GFCCVEGCSA-N 304.419 3.128 0 40 DGAB COc1c(CNCc2cccc3cccnc23)c(C(C)C)nn1C 58432775 XCJXUSAQINXIMC-UHFFFAOYSA-N 324.428 3.390 0 40 DGAB OCCCNc1nc(C2CC2)nc2sc3c(c12)CCCC3 57824883 HHCHTNXYYWHEIG-UHFFFAOYSA-N 303.431 3.242 0 40 DGAB O=C(NOCc1ccccc1)c1ccc(N2CCCCC2=O)cc1 58348496 ANLBOBGYMOWVLT-UHFFFAOYSA-N 324.380 3.065 0 40 DGAB CN(C)[C@H](CNC1CC(C(F)F)C1)c1c(F)cccc1F 95945489 XIKGSPJKFVTXNR-SRHKJQAYSA-N 304.331 3.201 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1cccs1)C1CC1 95951306 BXHKIQZQKCIBEI-UHFFFAOYSA-N 324.409 3.134 0 40 DGAB COc1ccccc1Cc1nnc(S[C@H]2CCC[C@H]2OC)o1 96010423 GWVNCLAPMGYYRV-KGLIPLIRSA-N 320.414 3.329 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2cccnc2)CC1 100809739 LTVDLOPFBXVBIV-GASCZTMLSA-N 305.422 3.007 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN(C)Cc1ccccc1 13038866 PQRNTRSJVLYJRE-UHFFFAOYSA-N 318.804 3.419 0 40 DGAB Cc1cc(=O)n2c3ccccc3nc2n1CCc1ccccc1 17030939 SHIMHNXPJCPBCM-UHFFFAOYSA-N 303.365 3.200 0 40 DGAB COC(=O)c1ccc(OC(=O)c2ccc(C)c(C)c2)c(OC)c1 19881478 VJFXPJACGDPWBX-UHFFFAOYSA-N 314.337 3.318 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C)cc2C)c(C)n1 154581670 JXNJTAOOXAFAFY-UHFFFAOYSA-N 300.358 3.033 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)c2ccccc2)CC1 100809812 HPYCMUIBVMZAKS-GASCZTMLSA-N 318.417 3.252 0 40 DGAB CCOC(=O)c1cc(C)nn1Cc1cccc(C(F)(F)F)c1 166822 NLNGIWLXRAQZRR-UHFFFAOYSA-N 312.291 3.435 0 40 DGAB Cc1cnn(CC2CN(C(=O)c3cc(Cl)cc(Cl)c3)C2)c1 1848784680 NTIQCROIXTUTCM-UHFFFAOYSA-N 324.211 3.271 0 40 DGAB O=C(Nc1cccc(Cn2ccnc2)c1)c1ccc(Cl)o1 25177389 TWBAQUJYZNXOBF-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB Cc1ccc(-c2nc(C(=O)Nc3nnc(C)s3)cs2)o1 31274278 HDZDOMGQDRKLSK-UHFFFAOYSA-N 306.372 3.124 0 40 DGAB c1cnc2nc3c(cc2c1)CN(c1nc2ccccc2o1)CC3 2087065439 QKTLUBGBAVOPAX-UHFFFAOYSA-N 302.337 3.334 0 40 DGAB Clc1ccc(CNCc2cccnc2-n2cccn2)s1 30902054 PCZNABNOBUCROT-UHFFFAOYSA-N 304.806 3.272 0 40 DGAB O=C(NCc1ccnc(N2CCCC2)c1)c1ccc(Cl)s1 40489832 NPCHIHTZEVSERT-UHFFFAOYSA-N 321.833 3.327 0 40 DGAB Cc1ccc(NS(=O)(=O)C[C@@]23CC[C@@H](CC2=O)C3(C)C)cc1 143069 MMFXFLKTJGHJGF-GUYCJALGSA-N 321.442 3.132 0 40 DGAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc1 182132 KTWLLTABJLSWTN-ZBEGNZNMSA-N 316.401 3.219 0 40 DGAB C[C@@H](N[C@H](C)c1cnccn1)c1cnn(Cc2ccccc2)c1 90853485 SJLGZPLCPCZNJC-HUUCEWRRSA-N 307.401 3.133 0 40 DGAB Cc1ccc(F)c(S(=O)(=O)NCCSC2CCCC2)c1 32435050 KICDOUBCZPDLQQ-UHFFFAOYSA-N 317.451 3.088 0 40 DGAB COc1cccc(C(=O)CC(O)(C(F)(F)F)C(F)(F)F)c1 1614976 UDGNXQRHJXRKRE-UHFFFAOYSA-N 316.197 3.124 0 40 DGAB CCc1noc([C@@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 52275612 MHXXIPMKKZAMKS-RISCZKNCSA-N 321.808 3.420 0 40 DGAB CCOc1ccccc1N1CCN(c2nc3ccccc3[nH]2)CC1 32753179 UJBSYEZXPQQVLO-UHFFFAOYSA-N 322.412 3.288 0 40 DGAB Fc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1F 6332953 CUSCHOAQLKCCQC-UHFFFAOYSA-N 322.336 3.180 0 40 DGAB COc1ccc(C(C)=O)c(OC(=O)c2ccc(F)cc2F)c1 6515085 JITJYXVKCOHDED-UHFFFAOYSA-N 306.264 3.395 0 40 DGAB Cc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c(C)c1 6678345 TTZUZBWTKZASNW-RISCZKNCSA-N 301.415 3.498 0 40 DGAB CC(C)c1ccc(C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 29223908 CMPHSKQRGJSKJX-QGZVFWFLSA-N 311.381 3.236 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2cc(C(C)=O)c[nH]2)cc1 21624480 PZOIXULADSYGNG-QGZVFWFLSA-N 312.369 3.203 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1C[C@H]1CCCO1 8157105 JDDCBTJSGZXWKX-CZUORRHYSA-N 314.410 3.494 0 40 DGAB O=C(NCCOc1ccccc1)NCCc1c[nH]c2ccccc12 54026033 QLKIOSAXYLTSSS-UHFFFAOYSA-N 323.396 3.089 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)c1 101275475 WACAVEGYVUEXEI-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2ccc3c(c2)CCC3)c1 24580925 OQAOXBQKDUDHNQ-UHFFFAOYSA-N 309.409 3.221 0 40 DGAB COc1cccc(NC(=S)NCCCOC2CCCC2)c1 57815698 SEBYWLNIBMKLNK-UHFFFAOYSA-N 308.447 3.331 0 40 DGAB C[C@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 12534391 XPYHWIJAVLBJPI-LBPRGKRZSA-N 301.415 3.407 0 40 DGAB C[C@H](NC(=O)c1cc(O)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 107325480 IQZIOBLUWYVRBK-ABHRYQDASA-N 310.397 3.495 0 40 DGAB Cc1nnc(NC2CCN(Cc3ccc(F)c(F)c3)CC2)s1 77192414 HHGWLVBEYKNYNS-UHFFFAOYSA-N 324.400 3.201 0 40 DGAB COC(=O)c1cc(COC(=O)/C=C/c2ccc(F)cc2)oc1C 3365810 HXAPYIPYWCDCLJ-VMPITWQZSA-N 318.300 3.270 0 40 DGAB Cc1nc2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2s1 10556499 BAZYLTMVOYTUQK-UHFFFAOYSA-N 309.354 3.128 0 40 DGAB C[C@@H]1CCN(C(=O)[C@@H](C)n2cccn2)c2ccccc2S1 28504276 ZNSMWLBYCFXJNX-CHWSQXEVSA-N 301.415 3.362 0 40 DGAB CCNC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12730712 BQIAIPIBFMGQDU-UHFFFAOYSA-N 307.353 3.462 0 40 DGAB CC[C@H]1CCc2nc(NC(=O)[C@@H](C)n3cccn3)sc2C1 48374761 KSRGSKKLYYUTOD-MNOVXSKESA-N 304.419 3.054 0 40 DGAB C[C@]12C[C@H](CO)C(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@H]2O 118924769 OKOKLFXLKDXQOK-VGNGVPKOSA-N 320.473 3.178 0 40 DGAB Cc1cc(C)nc(SCC(=O)Nc2cccc3cccnc23)n1 13006220 OZYUAJNBBAAURU-UHFFFAOYSA-N 324.409 3.372 0 40 DGAB Cc1cc(C)nc(-n2[nH]c(-c3cccc4ccccc34)cc2=O)n1 17058967 DGNZMCAMKDKWEO-UHFFFAOYSA-N 316.364 3.393 0 40 DGAB O=C(O)[C@H]1[C@H]2C[C@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 4110206 BZYPJYMCKWWCSL-RRQGHBQHSA-N 323.348 3.024 0 40 DGAB COCCCn1c(=S)[nH]c2sc3c(c2c1=O)CCCC3 6497781 XCYLWUWLERJBHD-UHFFFAOYSA-N 310.444 3.036 0 40 DGAB COc1ccc(OCCCSc2nc(C(C)C)n[nH]2)cc1 14198972 DEQLJABLZQYPHW-UHFFFAOYSA-N 307.419 3.498 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 17326227 HFTWSDKGAWZSBD-VXGBXAGGSA-N 303.333 3.335 0 40 DGAB C1CCC(CN[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1 69816659 MOTJIPJCLLQFMF-INIZCTEOSA-N 318.465 3.081 0 40 DGAB N=C1NC(=O)/C(=C\c2ccc(OCc3ccccc3)cc2)S1 5518465 XRASDBUCAOOUEM-XNTDXEJSSA-N 310.378 3.404 0 40 DGAB CCCSc1ccccc1C(=O)Nc1nnc(COC)s1 4731913 LRBNEAKSOOIBGX-UHFFFAOYSA-N 323.443 3.439 0 40 DGAB COCc1cccc(C(=O)Nc2ccc(OC)c(OC)c2)c1 14797020 AKHQFZKQAATWRC-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB Cc1ccc(CN(C)C(=O)CSc2nc3ccccc3o2)o1 18186528 IMDUXLBFGUGBMG-UHFFFAOYSA-N 316.382 3.480 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 21915810 HXQKKENWKFMHQY-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB COc1ccc(NC(=O)c2cccnc2)cc1-c1ccc(CO)o1 20143475 QVEZSPKZCWSGLI-UHFFFAOYSA-N 324.336 3.095 0 40 DGAB O=C1N[C@H](c2ccc(Br)cc2F)Nc2ccccc21 9834450 APGSGGYBSRXUBC-CYBMUJFWSA-N 321.149 3.442 0 40 DGAB CN(Cc1c(Cl)nc2sccn12)C(=O)Nc1cccnc1 83058491 UJFQCIASTJXJBQ-UHFFFAOYSA-N 321.793 3.108 0 40 DGAB Cn1cnnc1-c1cncc(NCc2ccc(Cl)s2)c1 93110621 KOMFHCPSMVFAFN-UHFFFAOYSA-N 305.794 3.204 0 40 DGAB Cc1cc([C@@H]2CCCN(Cc3nc(C)c4ccccc4n3)C2)n[nH]1 84111373 JHSKWFXAAWXWFX-OAHLLOKOSA-N 321.428 3.349 0 40 DGAB COc1cc(C(=O)NCc2ccc(C)cc2)nc2ccccc12 71768912 RJYVDIPQOLEQPK-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB CC(=O)Nc1nc(CNC(C)(C)c2nc(C)c(C)s2)cs1 96443583 HPOXAOZVQXFECR-UHFFFAOYSA-N 324.475 3.200 0 40 DGAB C/C=C/C=C/C(=O)Nc1cc(Br)ccc1NC(C)=O 72070492 FVPGISZXUDGJCF-VNKDHWASSA-N 323.190 3.478 0 40 DGAB COCCOc1ccc(NC(=O)NC2[C@H](C)CCC[C@H]2C)cn1 72289014 ZLWNRPFMPLYKEN-CHWSQXEVSA-N 321.421 3.053 0 40 DGAB CCCN1CCC[C@@H]1c1nc(Cc2ccc(OC)cc2)no1 97164380 FBUBVPDSELLSPM-OAHLLOKOSA-N 301.390 3.216 0 40 DGAB C[C@@H](Nc1cncc(Cl)n1)c1ccc(N2CCOC2=O)cc1 84651568 BIQUNZGVWMHVEG-SNVBAGLBSA-N 318.764 3.260 0 40 DGAB C[C@@H](C(=O)N[C@@]1(C)CCc2ccccc2C1)C1CCOCC1 95439596 GUECHZVALNAWRM-KUHUBIRLSA-N 301.430 3.113 0 40 DGAB CC(C)c1ccc(NC(=O)C[C@@H]2CNCCO2)c(C(C)C)c1 95403634 ALPYNXZYCIZHFJ-OAHLLOKOSA-N 304.434 3.250 0 40 DGAB O=C(c1ccc2[nH]c(=S)oc2c1)N1CCCO[C@@H]2CCC[C@H]21 73768529 RIUAYJHJTFINDY-CHWSQXEVSA-N 318.398 3.274 0 40 DGAB CCOc1ccc(NC(=O)N2CCC[C@H]2C(C)(C)O)cc1C 95994325 FTGSNBANOCFGQE-HNNXBMFYSA-N 306.406 3.161 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 95954889 ZPMAOYROHQKOOD-HOTGVXAUSA-N 318.380 3.318 0 40 DGAB Cn1ccnc1[C@H](CCc1ccccc1)OC(=O)c1cccnc1 89756807 ILTCLZHXGRKQEU-KRWDZBQOSA-N 321.380 3.346 0 40 DGAB O=C(Nc1cnn(Cc2cccc(C(F)(F)F)c2)c1)C1CC1 28574389 SLRAECNPVVSDNS-UHFFFAOYSA-N 309.291 3.299 0 40 DGAB Cn1cc(C(=O)Nc2ccc(F)c(F)c2)c(=O)c2ccccc21 22234342 WRGVRYJFWXWAKS-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2CN(C)C(=O)OC(C)(C)C)co1 187632992 UCFCOSWQKRKMIV-AWEZNQCLSA-N 322.405 3.060 0 40 DGAB Cc1n[nH]cc1CN[C@@H]1CCc2c(Br)cccc21 78553797 JOWBTWZSJLEJGJ-CQSZACIVSA-N 306.207 3.258 0 40 DGAB O=C(CSCc1ccc(Cl)cc1F)NC[C@H]1CCCO1 187961025 ISOJOQGRMWVWFS-GFCCVEGCSA-N 317.813 3.008 0 40 DGAB O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)c1snnc1-c1ccccc1 36366672 HTNFDZYPJCNEPI-XBFCOCLRSA-N 311.410 3.147 0 40 DGAB CC(C)(C)OC(=O)NCCCC(=O)Nc1ccc2[nH]ccc2c1 79043225 KNWRVADGARXXIM-UHFFFAOYSA-N 317.389 3.411 0 40 DGAB O=C(Nc1ccc(F)cc1)NC1C[C@@H]2CCC[C@H](C1)N2C1CC1 35289756 HSYBLSGBTZSSRH-ZXFUBFMLSA-N 317.408 3.495 0 40 DGAB Cc1cn(C)nc1C(=O)Nc1nc2ccc(Cl)cc2s1 36701826 PUDGUTXTVYXLPB-UHFFFAOYSA-N 306.778 3.244 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)c1 36635355 QWMSAWFANUXPMT-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB CC(C)Oc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72211883 AWIDGVZWFHUBDB-UHFFFAOYSA-N 322.405 3.356 0 40 DGAB COC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1 216845280 QDMKLTIQSUGHDC-UHFFFAOYSA-N 307.733 3.109 0 40 DGAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1)C(=O)O 224974325 WOZUVCPFTLTQGA-SECBINFHSA-N 305.403 3.334 0 40 DGAB FC(F)(F)c1cc(Br)nc(Br)n1 40433922 QTAAFIZVUMZSPW-UHFFFAOYSA-N 305.879 3.020 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC(C)C 225718985 YMOQTAFLKIOLSF-INIZCTEOSA-N 304.434 3.119 0 40 DGAB NC(=O)[C@H]1CCCCc2c1[nH]c1ccc(Br)cc21 221548614 ZWJOJOHVUPFYRM-JTQLQIEISA-N 307.191 3.226 0 40 DGAB Fc1cccc(CNC(=S)Nc2ccc3c(c2)OCCO3)c1 46415823 OKSARRBWUOXVKA-UHFFFAOYSA-N 318.373 3.084 0 40 DGAB COc1ccccc1NC(=O)c1ccc(Br)c(N)c1 40296288 RDCGFKOJSNKYOJ-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(NC(=S)NCCCc2ccc(F)cc2)nc1 223965988 AGKBKAQHIZEPBW-UHFFFAOYSA-N 303.406 3.448 0 40 DGAB CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NCc1c(C)noc1C 195531060 ZGJAYRXKNARYPN-WPGHFRTFSA-N 308.422 3.282 0 40 DGAB Cc1c[nH]cc(C(=O)N2[C@H]3C=C(c4ccccc4)C[C@H]2CC3)c1=O 332680021 GSCRUIZLSYWCPB-IAGOWNOFSA-N 320.392 3.144 0 40 DGAB O=C(NCc1ccc[nH]1)c1ccc(Cl)cc1Br 195539741 UWEFSFQXXKJAJM-UHFFFAOYSA-N 313.582 3.361 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(O)c3)C2)c1 95115973 LKPRKAOZRJNDPW-GOSISDBHSA-N 310.353 3.098 0 40 DGAB CCSCc1cccc(NC(=O)N2CCC[C@H](CO)C2)c1 96435251 VQJPFWNRNRPIQF-AWEZNQCLSA-N 308.447 3.176 0 40 DGAB c1cncc(CO[C@@H]2CSC3(C2)CN(C2CCCC2)C3)c1 247918855 ZZPGZJVJQKMHKG-INIZCTEOSA-N 304.459 3.101 0 40 DGAB CC(C)=CC(=O)N1CCC(c2cc(-c3ccncc3)[nH]n2)CC1 585087608 SPLGAFIBQOBFAV-UHFFFAOYSA-N 310.401 3.144 0 40 DGAB CC[C@@H](c1nc(Cc2ccccc2Cl)no1)N1CCCC1=O 585133703 RKRPNQHFIUEFHP-ZDUSSCGKSA-N 319.792 3.387 0 40 DGAB C[C@@H]1C[C@@H](C(=O)Nc2ccc(CO)c(CO)c2)CC(C)(C)C1 585130743 AYUMDVDCGVLANS-TZMCWYRMSA-N 305.418 3.072 0 40 DGAB Cc1cc(-c2nc(C)c(C)s2)nc(CC2CCN(C)CC2)n1 257326615 WXWXITHQPLJKLI-UHFFFAOYSA-N 316.474 3.410 0 40 DGAB O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(F)s1 252484664 GDXFICZHIXHMHB-UHFFFAOYSA-N 305.783 3.019 0 40 DGAB C[C@@H](Sc1nc2c(Br)cccc2s1)C(N)=O 390833121 CKFZUAGCBWEZHL-RXMQYKEDSA-N 317.233 3.025 0 40 DGAB C=CC(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 585292788 SHGIAUKKHLXHPP-HNNXBMFYSA-N 322.412 3.187 0 40 DGAB O=C(NC[C@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1 69497104 HBDZDKIJYORPCC-AWEZNQCLSA-N 315.335 3.376 0 40 DGAB O=S(=O)(c1cccnc1)N(c1ccccc1)C1CCCC1 69588841 GOVUBLOZBAJLSG-UHFFFAOYSA-N 302.399 3.220 0 40 DGAB Cc1ncsc1CN(C)Cc1ccc(C(=O)O)c(Cl)c1 580956098 WOFJOTVKCDYBTI-UHFFFAOYSA-N 310.806 3.435 0 40 DGAB CO[C@H]1CCCN(C2CCOCC2)[C@H]1Cc1cccc(F)c1 1615140531 OUXAZRYMMPUVPR-ROUUACIJSA-N 307.409 3.027 0 40 DGAB CN(Cc1cc(Br)cs1)C[C@@H]1CCCOC1 104352629 HBBQDRGBMXQQBR-JTQLQIEISA-N 304.253 3.369 0 40 DGAB C/C(=C\c1ccccc1)[C@H]1NC(N)=Nc2nc3ccccc3n21 7125588 YSUVMVPFDVAORU-PCUGXKRQSA-N 303.369 3.188 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2cc(C)ccc2C)c1 5497158 UGJUDLBUIXUYJP-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB Cc1nc(NC(=O)NC2CCCCC2)nc2c1C(=O)C[C@H](C)C2 13636317 LBEYVCNQQHTNQD-SNVBAGLBSA-N 316.405 3.004 0 40 DGAB COc1cccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)c1 15940874 CVTUYAHIRIFTMM-UHFFFAOYSA-N 308.381 3.378 0 40 DGAB CCn1c(SCc2cccc(F)c2)nnc1-c1cnccn1 16755478 ODTAGQKLBOJELQ-UHFFFAOYSA-N 315.377 3.186 0 40 DGAB Cc1cncc(N2CCC(COc3ccncc3Cl)CC2)n1 1889091888 BDBWFFFSVSJPLZ-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB O=C(C1CCCC1)N1CCN=C1SCc1ccccc1F 4120497 GJYOSLSDYPUQOR-UHFFFAOYSA-N 306.406 3.447 0 40 DGAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)s1 4687114 AQULQMCRLFLXAW-AEJSXWLSSA-N 305.852 3.116 0 40 DGAB Cn1c2ccccc2c2c(C(=O)O)cn(C3CCCC3)c(=O)c21 2456096 QKNAQUQJZJIRNX-UHFFFAOYSA-N 310.353 3.307 0 40 DGAB CCOC(=O)c1cnn2ccc(NC(=O)c3ccccc3C)cc12 85471526 ZXSXXRMSNLPGQC-UHFFFAOYSA-N 323.352 3.072 0 40 DGAB Cc1cccn2cc(-c3ccc(NC(=O)CCC(=O)O)cc3)nc12 72330 HNTNZVRXQLDDKY-UHFFFAOYSA-N 323.352 3.113 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2CC1 100405665 HFPGREXJLCMVAK-GVARAGBVSA-N 301.773 3.350 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)c(C)c1 40525363 FZYYVVPBKZSKNH-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(F)c2)cc1 11565743 PSWPSGVJAGXEGM-LLVKDONJSA-N 302.301 3.263 0 40 DGAB Cc1cc2ncn(C[C@H](O)COc3ccccc3C)c2cc1C 180972 NKKZIQKCPFGHBK-INIZCTEOSA-N 310.397 3.401 0 40 DGAB COc1ccc(OCc2ncc(-c3ccccc3)o2)c(C(N)=O)c1 51970942 UQQCBEAJSIQPTM-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB CC(C)(C)NC(=O)[C@@H](OC(=O)c1ccco1)c1ccccc1F 4901601 NRBUVUCBIJFLDN-AWEZNQCLSA-N 319.332 3.232 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1ccc(-c2ccccc2)cc1)C(C)C 6425023 MWUWNKVGUBSACK-GOSISDBHSA-N 310.397 3.453 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)Nc3nccs3)n2)cc1 7402400 ZIZSANNHUCBOQG-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB COc1ccc(Cn2c([C@H](C)O)nc3ccccc32)cc1OC 487970 QSXJTYMXIOKRIH-LBPRGKRZSA-N 312.369 3.155 0 40 DGAB biogenic CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc(Cl)c1N 32908970 ZTCRVNYFNGTBSX-UHFFFAOYSA-N 316.714 3.367 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccccn1 21894048 MIANVSMKDXHFDB-UHFFFAOYSA-N 300.406 3.122 0 40 DGAB Cc1ccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)cc1 528361 XUUBUSWZMRKRKZ-AWEZNQCLSA-N 305.381 3.402 0 40 DGAB Cc1cnc(NC(=O)/C=C/c2ccc3c(c2)OCCCO3)s1 9743058 WSTKHLIMJHVZNO-GQCTYLIASA-N 316.382 3.265 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)CC1 53371384 XPLAMQGZVKHODZ-WMLDXEAASA-N 318.461 3.326 0 40 DGAB CC(C)n1cc2c(C(F)F)cc(SCC(=O)O)nc2n1 12398357 VPYABIDHJYYXKM-UHFFFAOYSA-N 301.318 3.127 0 40 DGAB COC(=O)C[C@H](NC(=O)C1CCCC1)c1ccc(Cl)cc1 23038121 MGHZFENKXBIKBX-AWEZNQCLSA-N 309.793 3.251 0 40 DGAB CO[C@@H](C(=O)Nc1ccc(N2CCCC2)cn1)c1ccccc1 76903808 VGSCNNQTFVUYET-QGZVFWFLSA-N 311.385 3.008 0 40 DGAB C[C@H]1CN([C@@H](C)C(=O)Nc2ccccc2-c2ccccc2)CCO1 24060495 SNEUEJSGOYDAJH-HOTGVXAUSA-N 324.424 3.401 0 40 DGAB C[C@@H]1CCCN(CCCCNC(=O)NCc2ccc(F)cc2)C1 43025322 VSSKDBXUEMNLCU-OAHLLOKOSA-N 321.440 3.137 0 40 DGAB O=C(CCCc1cccs1)Nc1cccnc1-n1cccn1 23171325 VAAUWNVHEQWLTH-UHFFFAOYSA-N 312.398 3.290 0 40 DGAB O=C(O)[C@H](Cc1cc(Cl)cc(Cl)c1)N1CCCCC1 57630381 UIGCWNBSNMVFHW-ZDUSSCGKSA-N 302.201 3.475 0 40 DGAB CCNc1nnc(SCc2ncc(C)c(OC)c2C)s1 78709181 IQBJDWUEEQCKNS-UHFFFAOYSA-N 310.448 3.283 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(F)cc2)cc1 10110596 IQCCHSSSSSPRLI-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(N)c(Cl)c1 3252159 UIZGESOUASFLAI-UHFFFAOYSA-N 310.806 3.137 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)cc1 26754325 URGZXSSADFBNAF-LSDHHAIUSA-N 313.397 3.382 0 40 DGAB CN(Cc1cc2ccccc2o1)C(=O)Nc1nnc2ccccn12 78973174 ZHFUBPXOGZLVCT-UHFFFAOYSA-N 321.340 3.139 0 40 DGAB Cc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)nc1 27642645 KIVGQTMZEXBNKE-UHFFFAOYSA-N 315.373 3.152 0 40 DGAB CCn1nccc1CNC(=O)c1cc(SC)ccc1Cl 28219436 JJXWFNIDFGWWJO-UHFFFAOYSA-N 309.822 3.208 0 40 DGAB CCOC(=O)c1cc(NC(=O)[C@@H](C)CC)cc(C(=O)OCC)c1 12786932 DFGYIDGGEGQQRM-NSHDSACASA-N 321.373 3.025 0 40 DGAB CCc1nc(NC(=O)[C@@H]2COc3ccccc3C2)sc1C 48345764 SSROAUNCQUBONV-LBPRGKRZSA-N 302.399 3.204 0 40 DGAB COc1cc(/C=C/C(=O)NCCc2cccs2)cc(OC)c1 12890916 INEJRHHYNGTFKU-AATRIKPKSA-N 317.410 3.137 0 40 DGAB CC1(C)Cc2cccc(Oc3nnnn3-c3ccccc3)c2O1 3445147 XBYKJROCMPSINT-UHFFFAOYSA-N 308.341 3.168 0 40 DGAB COc1cc(CC(=O)Nc2cccc(F)c2)cc(OC)c1OC 3548440 WNIAULGRHJMYRV-UHFFFAOYSA-N 319.332 3.033 0 40 DGAB CCCc1cc(O)n2nc(SCc3ccccc3)nc2n1 8602312 TUVOTAUNMZKPKG-UHFFFAOYSA-N 300.387 3.075 0 40 DGAB CCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 5268670 NXEKYOCXPXLAMJ-UHFFFAOYSA-N 306.793 3.432 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cccnc2N2CCCC2)cc1 18114043 BWWMAGLAQXRJBK-UHFFFAOYSA-N 309.369 3.137 0 40 DGAB Cc1c(O)ccc2c(CN3CCc4ccccc4C3)cc(=O)oc12 23748660 CMPPLLWYMDLRBX-UHFFFAOYSA-N 321.376 3.365 0 40 DGAB Cc1c(C)n(CC(C)C)c2ncnc(NCCCN(C)C)c12 6764331 QPEAKKGTLISLAC-UHFFFAOYSA-N 303.454 3.068 0 40 DGAB Nc1cc(Br)ccc1NC(=O)c1ccccc1F 20520937 PYXDARJDSNXBHX-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB CC(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2F)c1 6905610 MXCPZUMKGCXTGS-UHFFFAOYSA-N 300.333 3.056 0 40 DGAB COc1ccc2oc(C(=O)NCC(C)(C)CN(C)C)c(C)c2c1 7406517 WYSVLXPJYFBDKD-UHFFFAOYSA-N 318.417 3.067 0 40 DGAB CC(C)N1CC[C@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 70861347 QKPIXNKTABKMFC-IBGZPJMESA-N 322.452 3.417 0 40 DGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(F)c(F)c1 9112461 JSQXTLLDFVGYNX-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB CCC(CC)[C@H]1C[C@H](NC(=O)N(C)Cc2cccnc2)CCO1 97048366 BTGSCPWJIZBMOR-IAGOWNOFSA-N 319.449 3.207 0 40 DGAB O=C(C[C@@H]1CCc2ccccc2C1)NCc1cn2c(n1)CCCC2 71899409 BGDWMWCAFKMFMU-OAHLLOKOSA-N 323.440 3.031 0 40 DGAB C[C@@H]1SCCN(C(=O)c2ccc(-c3cnco3)cc2)[C@@H]1C 71911083 DMOBUAUORPACCB-NEPJUHHUSA-N 302.399 3.308 0 40 DGAB CSc1ccc(NC(=O)N(CCCCO)C2CC2)cc1F 83992938 IRANCDJTYPCJCN-UHFFFAOYSA-N 312.410 3.316 0 40 DGAB COc1ncccc1C(=O)N1CCCC[C@H]1c1nc(C)cs1 72273440 DEGDKBLYLIJLKO-ZDUSSCGKSA-N 317.414 3.223 0 40 DGAB Cc1ccc(SCC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cc1 72294701 UARKGOZSVPYPMD-IMJJTQAJSA-N 305.443 3.017 0 40 DGAB C[C@@H](C(=O)O)[C@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 97228699 VIUAJIBJFQRJAH-PXAZEXFGSA-N 322.364 3.360 0 40 DGAB Cc1cc(C)c2c(c1)[C@]1(CC(O)=Nc3c1cnn3C(C)C)C(=O)N2 72405527 RHIMBJNAESMLIR-SFHVURJKSA-N 324.384 3.311 0 40 DGAB Cc1cnc(NCc2c(C)nn(C)c2Oc2cccnc2)s1 97375671 QRITWGXMFMZIFN-UHFFFAOYSA-N 315.402 3.293 0 40 DGAB O=C(Nc1ccnc(OCC(F)(F)F)c1)c1cccc(F)c1 95463729 WZXKOSNQHVUUSC-UHFFFAOYSA-N 314.238 3.414 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H]1CCCC[C@H]1Cc1ccco1 95947466 MPLZLAKGFJZNIS-ZFWWWQNUSA-N 302.374 3.416 0 40 DGAB CC(C)(C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1F 95992047 VLEJERRRSUIPRU-CYBMUJFWSA-N 321.392 3.207 0 40 DGAB Cc1ccc([C@@H]2COCCN2C(=O)c2ccc(F)c(F)c2)o1 89652805 WZVMQYHDQXMYKT-AWEZNQCLSA-N 307.296 3.080 0 40 DGAB COc1ccccc1[C@@H](NC(=O)C1CC=CC1)c1ccccn1 89848780 MCDMPUKBMMHQKF-GOSISDBHSA-N 308.381 3.262 0 40 DGAB CCOc1ccc(Cl)c(C(=O)NCCc2cccc(C)c2)n1 60323236 MTVDYVZYEXXLFS-UHFFFAOYSA-N 318.804 3.415 0 40 DGAB COc1cc(CNCc2cnn(-c3ccccc3)c2)cc(OC)c1 30654208 INNWQELAKZMJQF-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB Cc1cc(N(C)C)ncc1[C@@H]1CCCN1C(=O)c1ccccc1 72218687 RKAONRHFZFNWLY-KRWDZBQOSA-N 309.413 3.433 0 40 DGAB COc1ccc2c(c1)O[C@@H](c1ccc(OC)c(OC)c1)CC2=O 33968113 JLAAOYUKINRANY-MRXNPFEDSA-N 314.337 3.419 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccncc2)cc1 72211062 ZNNCNLYIQNGVKB-KRWDZBQOSA-N 316.426 3.306 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)cc1 72228029 UURKZQICIKUXMP-CVEARBPZSA-N 300.789 3.318 0 40 DGAB Cc1ccccc1NC(=O)COc1cccc2c1CCC[C@H]2O 32691437 PRIGPNMHXAQGAQ-QGZVFWFLSA-N 311.381 3.382 0 40 DGAB Cc1ncc(CNC(=O)N[C@H]2C[C@H]2c2cccc(Cl)c2)s1 77556345 ZSNWFGZUQGQALT-KBPBESRZSA-N 321.833 3.460 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1ccsc1Br 34093135 PEXSAHYRRSXSND-UHFFFAOYSA-N 322.183 3.307 0 40 DGAB CC(C)(CNC(=O)CSCc1ccncc1)c1cccs1 79311098 BPMPSKNCMVSIMD-UHFFFAOYSA-N 320.483 3.470 0 40 DGAB CCNC(=O)c1ccc(OC)c(COc2ccccc2OC)c1 224237502 SNXVDQDFEZTTOM-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB C[C@H]1CN(C(=O)c2cnn(C3CC3)c2)CC[C@@H]1c1ccccc1 528663655 HYJLQEVDVFPWNG-KSSFIOAISA-N 309.413 3.484 0 40 DGAB S=C(Nc1nccc(-c2cccs2)n1)NC1CCCC1 225184437 XIKXHCBIBLZSPY-UHFFFAOYSA-N 304.444 3.434 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)COc2ccccc2F)c1 224042185 IFSFTRQZLVEJGZ-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB COc1ccc([C@@H](NC(=O)c2cccnc2)C(F)(F)F)cc1 97236097 PTCPEZSFDKUGEW-CYBMUJFWSA-N 310.275 3.124 0 40 DGAB CO[C@@H](C)c1cccc(NCC(=O)Nc2ccc(Cl)cn2)c1 96452711 ONFXELJYCXDYPK-NSHDSACASA-N 319.792 3.493 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(OC)c1OC 97629381 HYWUUMDGHYMKKZ-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@@H](O)CN1CCCCCC1)C2 230118998 PIWZUYGSMGBKSL-BMFAXAFESA-N 309.494 3.455 0 40 DGAB Cc1cc(CC2CCN(C(=O)c3cccc(C)n3)CC2)ccn1 257274648 NLYWYRYYSMFNRB-UHFFFAOYSA-N 309.413 3.188 0 40 DGAB CC(C)Cc1ncc(CN2CC(O)(c3ccccc3)C2)s1 585085060 XUXKUNZCTZPGNI-UHFFFAOYSA-N 302.443 3.045 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@@H](c2cnccn2)C1 257234460 GTPLKUUUOFSIAB-OAHLLOKOSA-N 315.392 3.264 0 40 DGAB Brc1cccnc1N1CCN(c2ccccc2)CC1 48759789 NLBKYEMOBMXSIY-UHFFFAOYSA-N 318.218 3.171 0 40 DGAB OC[C@H](CNc1cnc2ccccc2n1)Cc1ccc(F)cc1 54058528 WIXUJVCGZBMNFI-AWEZNQCLSA-N 311.360 3.032 0 40 DGAB CC(=O)c1c(F)cccc1NCc1ccc(-n2ccnc2)nc1 58340976 IOKFBJKONIFANC-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69583936 CSDATQFJVZTOHK-FZMZJTMJSA-N 304.390 3.306 0 40 DGAB Brc1cn(-c2ccccc2Br)cn1 952959266 NEXZGNSLERDJGA-UHFFFAOYSA-N 301.969 3.397 0 40 DGAB Cc1ncc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)s1 78940838 MRMNBEIKNDKYFS-OAHLLOKOSA-N 315.442 3.226 0 40 DGAB C[C@@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2CCCC[C@@H]2C1=O 5176104 ZVPQJYQLIIPGIP-RCBQFDQVSA-N 310.397 3.274 0 40 DGAB COc1ccc(NC(=O)c2ncoc2-c2cccs2)cn1 12222644 GBZJXEWMHZBYJP-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CCOC(=O)c1cc(CC)nc2c1c(C)nn2-c1ccccc1 12399129 JVBCTUSBBXFWBF-UHFFFAOYSA-N 309.369 3.468 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3)C2=O)c1 17084921 GNBNGUAPFSFDGK-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB O=C(NC[C@@H]1COC2(CCCC2)O1)C12CC3CC(CC(C3)C1)C2 10220542 KEPSFVUKRYQNFQ-QFQXCOSMSA-N 319.445 3.005 0 40 DGAB COc1ccc2nc(-c3ccc(C)c(NC(=O)C4CC4)c3)cn2n1 11693459 NIMTZUUONZGXHA-UHFFFAOYSA-N 322.368 3.062 0 40 DGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)c1ccsc1 575614622 ZCUPGLRCSPIOQI-ZDUSSCGKSA-N 303.412 3.026 0 40 DGAB O=C(NCc1nccnc1-c1ccco1)c1c[nH]c2ccccc12 575619018 LDIHDOPCOCVWJS-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB CCN(C1CCCCC1)S(=O)(=O)c1ccc(Cl)c(N)c1 20018849 QEJIOLUPUOCGAV-UHFFFAOYSA-N 316.854 3.266 0 40 DGAB CC(C)c1noc(CN(Cc2cccs2)C[C@@H]2CCCO2)n1 40489621 KVAZTKHOSZSLPA-ZDUSSCGKSA-N 321.446 3.436 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@@H]2CCCC[C@@H]21 40553797 QUIOFUMIEBIDNH-QWHCGFSZSA-N 318.398 3.187 0 40 DGAB CCOC(=O)c1ccccc1C(=O)c1cccc(CN2CCC2)c1 2515110 NOMYNSBGVWAJMS-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB Cc1ccc(NC(=O)NC(=O)[C@@H](C)N2CCCCCC2)c(C)c1 29219264 CQZADGPNEJHRON-OAHLLOKOSA-N 317.433 3.216 0 40 DGAB COc1cccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 29482456 VKPVYMWKNYZGGR-SFHVURJKSA-N 310.397 3.253 0 40 DGAB CCONC(=O)c1cc(-c2cccs2)nn1-c1ccccc1 11739827 PFZBCUOIZDBXNI-UHFFFAOYSA-N 313.382 3.282 0 40 DGAB C[C@@H](NC(=O)CSC[C@@H](O)c1ccccc1)c1ccccc1 60128300 JBPDTOXKZABCGD-RHSMWYFYSA-N 315.438 3.331 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)Nc2nccs2)cc1 3446261 NKNQAAFIZMJXCU-UHFFFAOYSA-N 304.371 3.143 0 40 DGAB COC[C@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 57684140 TWGSRKVFMIXVLK-VIFPVBQESA-N 322.257 3.378 0 40 DGAB Cc1ccc(NC(=O)C2CCN(c3nc(C)cc(C)n3)CC2)cc1 4966022 PTOSPUUWDPHCMF-UHFFFAOYSA-N 324.428 3.257 0 40 DGAB C[C@@H]1CN(C(=S)Nc2ccc(OC(F)F)cc2)C[C@@H](C)O1 6331101 JXPODBSWWUYMGN-NXEZZACHSA-N 316.373 3.094 0 40 DGAB CNC(=O)c1ccc(CN(C)c2ccc(C(F)(F)F)cn2)cc1 32806472 PPZKUXPWOCTZSS-UHFFFAOYSA-N 323.318 3.096 0 40 DGAB COC(=O)c1ccc(-c2ccc(CNC[C@H]3CCCO3)o2)cc1 7538914 SVZFMPFNBBHWHO-OAHLLOKOSA-N 315.369 3.002 0 40 DGAB Cn1cccc1/C=C/C(=O)OCC(=O)c1ccc(Cl)s1 7777153 STNDFFGCVQZVKU-QPJJXVBHSA-N 309.774 3.179 0 40 DGAB Cn1c(=O)c(O)c2c3c(c(Cl)ccc31)C(=O)c1ccccc1-2 485610 QZGHXRVKXIKHHT-UHFFFAOYSA-N 311.724 3.109 0 40 DGAB biogenic Cc1sc(NC(=O)[C@H]2CCCO2)c(C(=O)OC(C)C)c1C 2745541 HRDAKQJWVFRIQW-LLVKDONJSA-N 311.403 3.048 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)Cc1ncc(C(C)(C)C)o1 41646400 JPFPVUGSCKCQAC-UHFFFAOYSA-N 302.374 3.333 0 40 DGAB COc1cc(OC)cc(-c2nnc(SCCC(C)(C)O)o2)c1 81275372 LNFNZJSBHDSVPK-UHFFFAOYSA-N 324.402 3.007 0 40 DGAB Cc1ccccc1NS(=O)(=O)C[C@]12CC[C@@H](CC1=O)C2(C)C 100844013 BWUWIAPCSTVYSV-SUMWQHHRSA-N 321.442 3.132 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc(Cl)c1 22665925 VDFQSVMQDQJIEE-UHFFFAOYSA-N 303.745 3.341 0 40 DGAB CCn1c(C(=O)NC[C@H](O)c2ccccc2)cc2ccccc21 53791137 YJSOMRUAPBSCPN-SFHVURJKSA-N 308.381 3.125 0 40 DGAB Cc1ccccc1CC(=O)NCCCN1C[C@H](C)C[C@@H](C)C1 47416449 OWXWYTWJOMLZDQ-HZPDHXFCSA-N 302.462 3.022 0 40 DGAB C[C@H](NS(=O)(=O)Cc1ccccc1)c1ccc2c(c1)CCC2 53698075 WTVPBBZICHPOSL-AWEZNQCLSA-N 315.438 3.356 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)cc1 101275802 UIPRTTHTAHMDNX-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c2c(C)noc2n1 54375453 VEIJEWDCLHFMOT-UONOGXRCSA-N 313.401 3.492 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104879115 AYPBFCFBAGVZNH-IHRRRGAJSA-N 321.442 3.245 0 40 DGAB CN1CCc2nc(NC(=O)CCCc3cccs3)sc2C1 23606824 RKIZKSMEAMAEIQ-UHFFFAOYSA-N 321.471 3.154 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)c1cccs1)c1cnn[nH]1 56878009 CCTAIULGQNYRHU-ZDUSSCGKSA-N 318.789 3.039 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1F 51528800 WCENVLXPEFIROA-NSHDSACASA-N 321.735 3.049 0 40 DGAB Cc1noc([C@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 27048951 KSRMHXHNMYLLHW-NSHDSACASA-N 300.362 3.068 0 40 DGAB Cc1ccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)no2)cc1 27664260 SYUROLAKSZFXFE-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB CNC(=O)Cc1ccccc1NC(=O)N(CCC(C)C)C1CC1 44935737 NDZBFFLJIBPURT-UHFFFAOYSA-N 317.433 3.018 0 40 DGAB COc1ccccc1NC(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 58313809 PPZFGQFWVMCFTI-KDOFPFPSSA-N 319.449 3.327 0 40 DGAB CCCN1C(=O)c2ccccc2N[C@@H]1c1cn2ccccc2n1 58381485 CHVZICWFOSOXAL-KRWDZBQOSA-N 306.369 3.311 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1cccc(F)c1 28193003 SCYRIKZBVOZSRD-IZZDOVSWSA-N 324.355 3.370 0 40 DGAB C[C@@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3CC3)cc2)C1 48300589 AGMVVBKFPUEOMZ-HUUCEWRRSA-N 300.446 3.191 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 12887340 MLJYXUUVQXXAMT-UHFFFAOYSA-N 316.426 3.411 0 40 DGAB C[C@@H](O)c1cccc(NC(=O)COc2ccccc2Cl)c1 12864362 JEAUINFMWTWNDL-LLVKDONJSA-N 305.761 3.411 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cccs1)c1ccccc1Cl 13172604 IESUASLYBXFTQY-LLVKDONJSA-N 309.774 3.347 0 40 DGAB COc1ccc(OCC(=O)Nc2ccc3oc(C)nc3c2)cc1 14094902 DOODBDPYLWIYIC-UHFFFAOYSA-N 312.325 3.162 0 40 DGAB CON(C)C(=O)c1cccc(-n2nccc2-c2ccccc2)c1 65515804 PUIWCLHVAYCGJR-UHFFFAOYSA-N 307.353 3.173 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)OCC(=O)c1ccccc1F 5401705 DGBSKNHNZFSUKK-UHFFFAOYSA-N 311.312 3.276 0 40 DGAB CSCCc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)cc1 69684956 FGNDQDSFMKQIQD-BETUJISGSA-N 308.447 3.233 0 40 DGAB Cc1cnc(NC(=O)c2cc(-c3csc(C)n3)cn2C)s1 8776262 DHBJAQHWISNJEI-UHFFFAOYSA-N 318.427 3.474 0 40 DGAB C[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2 8764344 FGCOKZXCUORMJE-LBPRGKRZSA-N 322.364 3.258 0 40 DGAB biogenic C[C@H](Sc1nnc(C2CC2)n1C)C(=O)NC1CCCCCC1 7172555 ZLLQUQKNZIQAJV-NSHDSACASA-N 322.478 3.012 0 40 DGAB C[C@H](C(=O)NC1CCCC1)N(C)Cc1nc2ccccc2s1 7689889 SGCCDLKWPVDRIU-GFCCVEGCSA-N 317.458 3.175 0 40 DGAB C[C@@H](CCn1cccn1)n1ccnc1-c1ccccc1C(=O)O 71388797 OISBNDZLNURDAE-ZDUSSCGKSA-N 310.357 3.096 0 40 DGAB C[C@@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 97038993 VPZBWVWQRPQORI-UKRRQHHQSA-N 317.385 3.006 0 40 DGAB C[C@H](CN(Cc1ccccc1)C(=O)c1cc(Cl)c[nH]1)C(=O)O 97035413 SAQXEAPWOQJBJZ-LLVKDONJSA-N 320.776 3.031 0 40 DGAB COC(=O)c1ccc(Cl)c(CSCc2nnc(C)o2)c1 97080307 HZGNRKMLWINCLF-UHFFFAOYSA-N 312.778 3.251 0 40 DGAB C[C@@H]1CCCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 71841902 SONDHHBOLKWWKX-GFCCVEGCSA-N 319.430 3.379 0 40 DGAB FC(F)(F)Cn1nnnc1S[C@@H]1CCCc2ccccc21 72067917 UIROEHFFTGUJCJ-LLVKDONJSA-N 314.336 3.405 0 40 DGAB CCN1C(=O)CCc2cc(N[C@H](C)CCn3cccn3)ccc21 97138184 ACCBBQNSSKAIHX-CQSZACIVSA-N 312.417 3.073 0 40 DGAB O=C([C@H]1CC12CCCC2)N1CCCN(Cc2cccs2)CC1 72310343 VHNOKBHGBRRZLM-MRXNPFEDSA-N 318.486 3.363 0 40 DGAB O=C(Cc1coc(-c2ccccc2)n1)N1CCOc2ccccc21 84564694 UNEFKOHLHZLARD-UHFFFAOYSA-N 320.348 3.310 0 40 DGAB CC(C)c1noc(N[C@H](C)c2noc(Cc3ccccc3)n2)n1 95427775 KVWMAIBKKKDTOX-LLVKDONJSA-N 313.361 3.340 0 40 DGAB CCOC(=O)c1nnc2ccccc2c1N1C[C@@H](C)C[C@@H](C)C1 78824739 RCVGAXKPKIJZHV-BETUJISGSA-N 313.401 3.289 0 40 DGAB Cc1ccc(C)c(OC2CCN([C@H]3CCCC[C@@H]3O)CC2)c1 95975615 BZUJULODEPSJMM-ROUUACIJSA-N 303.446 3.450 0 40 DGAB CCN1CCN(Cc2ccc(Br)cc2Cl)CC1 60876075 QWDVCTVGVPDVSM-UHFFFAOYSA-N 317.658 3.240 0 40 DGAB COc1ccc(SCC(=O)N2CCC(C)CC2)cc1OC 20452859 CVECZVYQVFAFLZ-UHFFFAOYSA-N 309.431 3.054 0 40 DGAB C[C@@H](CC(=O)N(C)Cc1ccccn1)C(=O)c1cccc(F)c1 72994343 YYRZRGVUWIWALM-ZDUSSCGKSA-N 314.360 3.088 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1c1ccncc1 36700783 HWWCZBVIURQARY-CYBMUJFWSA-N 321.302 3.473 0 40 DGAB CCN(CC)CCNC(=O)c1cc(OC(C)C)c2ccoc2c1 72240204 MSWFADUWPYMDRK-UHFFFAOYSA-N 318.417 3.292 0 40 DGAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1ccccn1 66554014 FMGQRJMTECHDEF-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB O=C(O)CN1C(=O)[C@@H](Cc2ccc(Cl)cc2)c2ccccc21 71405118 DJNJFQSPPAANPQ-AWEZNQCLSA-N 315.756 3.098 0 40 DGAB CC[C@H](C)[C@H](N)C(=O)Nc1ccc(-c2cn3ccccc3n2)cc1 563065392 POIZLOVNPUYLRX-UGSOOPFHSA-N 322.412 3.313 0 40 DGAB COc1ccc(CCC(=O)NCCOc2ccccc2)cc1C 225103689 SCOOYJJHDVCHCL-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)ncn3C)cc1 225891619 HEHWZCQQJPUAKC-LBPRGKRZSA-N 309.369 3.073 0 40 DGAB O=C(OCc1ccccc1)c1ccc(O[C@H]2CCCNC2)cc1 42782920 SHFMIPAQYBLKGY-SFHVURJKSA-N 311.381 3.174 0 40 DGAB CCc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(F)c2)cc1 225104427 HTHDJRKETQVXDU-UHFFFAOYSA-N 323.389 3.222 0 40 DGAB Cc1nc(C(=O)Nc2ccc(CCC(=O)O)cc2)c(C)s1 191020645 AXZNEMDVZDQWGM-UHFFFAOYSA-N 304.371 3.029 0 40 DGAB O=C(CC1CCCC1)NC1CCN(Cc2ccc(O)cc2)CC1 195575857 OPLCZIWXRRZVEY-UHFFFAOYSA-N 316.445 3.053 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)c1ccccc1 195578186 YMGOETLNDBSKLR-OIISXLGYSA-N 304.434 3.234 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H]1CCC[C@@H]1O 96435320 MCFYNBZXAPVFTI-YOEHRIQHSA-N 320.433 3.203 0 40 DGAB CC(C)CO[C@@H]1[C@@H]2CC[C@H]1N(C(=O)c1ccc(N(C)C)cc1)C2 96253564 LLWJGIDOKDFOMD-KBAYOESNSA-N 316.445 3.028 0 40 DGAB COCc1cnc2n1CCN(Cc1ccc(Cl)c(F)c1)[C@H]2C 96109567 AMGFEFBJMGDGRY-NSHDSACASA-N 323.799 3.399 0 40 DGAB COC[C@@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1C(C)C 96051753 JLBACAKNVDPQHB-KRWDZBQOSA-N 320.477 3.299 0 40 DGAB O=C(Nc1nncn1-c1ccccc1)c1cccc2ncccc12 96493743 RJPHSZDHLAEPPD-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB Cc1cc(NC(=O)N2C[C@H](c3ccsc3)O[C@H](C)C2)no1 96469317 LYTHYUHEGHGIKD-ZYHUDNBSSA-N 307.375 3.038 0 40 DGAB Cc1cccc2nc(CN(C)C(C)(C)c3ccccc3)cc(=O)n12 585081347 JADFJIGZQPCUHY-UHFFFAOYSA-N 321.424 3.370 0 40 DGAB CS(=O)(=O)c1cccc(-c2csc([C@@H]3CCCO3)n2)c1 283864107 IKMOHGPHXAQERE-ZDUSSCGKSA-N 309.412 3.065 0 40 DGAB CC[C@H](NC(=O)NCc1nc(C)cs1)c1ccccc1OC 44952957 NQIDZKWGWPGAAU-ZDUSSCGKSA-N 319.430 3.411 0 40 DGAB CCCn1cc(NC(=O)c2c(F)cccc2Cl)ccc1=O 56079595 MKBNFEVHDSGYDH-UHFFFAOYSA-N 308.740 3.303 0 40 DGAB CSc1cccc(NC(=O)NCc2ccccc2CO)c1 58331432 NFKAQJLXUUXYBE-UHFFFAOYSA-N 302.399 3.223 0 40 DGAB Cc1cccnc1CN1CCC(c2nn(C)c3ncccc23)CC1 1615192366 UVUBCPIWMBDHKL-UHFFFAOYSA-N 321.428 3.051 0 40 DGAB CCc1cc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)no1 1544774545 DRXHJDWSAURPOS-UHFFFAOYSA-N 310.357 3.292 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2c(C)cccc2C(=O)O)c1 13464575 QFANMIZYTHPIAI-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB C[C@@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 14411744 SNMHQHHHAYVOEI-SNVBAGLBSA-N 317.776 3.322 0 40 DGAB COc1ccc(CNC(=O)CCc2ccc(C)cc2)cc1OC 14701787 ZLSCXQCFYCAWGP-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CC(C)CN1CCC(Cc2ccnc(-c3cncn3C)c2)CC1 1848353137 FYZUPVWGVZEQBY-UHFFFAOYSA-N 312.461 3.393 0 40 DGAB Cc1csc(NC(=O)CN[C@H](C)c2ccccc2Cl)n1 26902602 HEGBYHOLCIAINB-SNVBAGLBSA-N 309.822 3.394 0 40 DGAB O=C(CCSc1ccccc1)NC[C@H](O)c1ccsc1 56906281 GRRAORAXRQTERV-AWEZNQCLSA-N 307.440 3.080 0 40 DGAB COc1ccc(C2=C[C@H](c3cccs3)NC(=S)N2)cc1 108963 LZGMHMXCSJIMSL-CYBMUJFWSA-N 302.424 3.317 0 40 DGAB O=C1Cc2cc(NC(=O)c3ccccc3C(F)(F)F)ccc2N1 17170877 CDJWKQWUFJGFIP-UHFFFAOYSA-N 320.270 3.452 0 40 DGAB Cc1cccnc1OCC1CCN(C(=O)[C@H]2CC=CCC2)CC1 585526040 FYYIPUIOJAUYEG-KRWDZBQOSA-N 314.429 3.364 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccnc3ccccc23)C1 2298199217 JECOVCUHYGXYFU-CQSZACIVSA-N 311.429 3.366 0 40 DGAB COc1cccc(NC2CCN(CCN3CCCCC3)CC2)c1 77286612 GXXAWKOUDRAGFG-UHFFFAOYSA-N 317.477 3.057 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@@H](O)c2ccccc2)cc1 80160804 VFFOIXKSDVUWIK-QGZVFWFLSA-N 314.385 3.331 0 40 DGAB CCc1ccc(NS(=O)(=O)c2cc(C(=O)O)ccc2C)cc1 12526371 LEOYDLRWZWQTDR-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB c1ccc(Cn2cccn2)c(CNc2ncnc3ccccc23)c1 40018077 REFNDZUQKRWASW-UHFFFAOYSA-N 315.380 3.487 0 40 DGAB O=c1[nH]c(CNc2ccc(F)cc2)nn1C/C=C/c1ccccc1 40284761 FMIZRGMDJUMSLC-QPJJXVBHSA-N 324.359 3.036 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2cccnc2)c(OC)c1 40473826 RZFGZDKGWGEEHJ-INIZCTEOSA-N 312.369 3.076 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCSC1=O 40493912 DCWGSJLIEWQLAE-NSHDSACASA-N 318.398 3.121 0 40 DGAB Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)cc2)c1O 292027 XLZKRQIVKLZMAI-UHFFFAOYSA-N 304.729 3.394 0 40 DGAB C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccsc1 90955551 KFBBGWFVBIADJS-WFASDCNBSA-N 304.415 3.162 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)s1)OCC(F)(F)F 60274876 PMSGEOLYLKYLQC-UHFFFAOYSA-N 303.265 3.316 0 40 DGAB COc1ccc2c(c1)N1CCc3cc(OC)c(OC)cc3[C@@H]1C2 1624024 AAFHVEXHFUEGIX-KRWDZBQOSA-N 311.381 3.372 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 352009 PAYQJDKLUZLLBY-LLVKDONJSA-N 317.316 3.018 0 40 DGAB CCN(C[C@H](O)c1cccc(O)c1)C(=S)Nc1ccccc1 6241772 HZPGSQYRPJHUCA-INIZCTEOSA-N 316.426 3.145 0 40 DGAB NC(=O)c1c(NC(=O)c2cccc(Cl)c2)sc2c1CCC2 6861997 OLIHXMMAMZIYTR-UHFFFAOYSA-N 320.801 3.241 0 40 DGAB O=C(Nc1cc(-c2ccncc2)n[nH]1)C1(c2ccccc2)CC1 69703451 OYVPTVUIGQOYHL-UHFFFAOYSA-N 304.353 3.142 0 40 DGAB c1ccc2nc(Sc3nnc(N4CCCC4)s3)cnc2c1 53580556 QALGMKRQIRGNOG-UHFFFAOYSA-N 315.427 3.233 0 40 DGAB COc1cc(C(=O)N[C@H]2CCCC[C@@H]2C)cc(OC)c1OC 711734 NNRJCJLPLJFNIV-AAEUAGOBSA-N 307.390 3.021 0 40 DGAB Cc1c(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cnn1C 12361827 VOENBAMEHXOUDJ-UHFFFAOYSA-N 303.793 3.191 0 40 DGAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 104105490 GRYUGPXMSBXWJZ-LLDVTBCESA-N 309.413 3.427 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](Sc1ncccc1C(=O)O)C2=O 100951070 KLGUXBXVONFYAQ-NSODJVPESA-N 305.399 3.266 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1 89948964 VZBIYSRSXNVHFT-SMDDNHRTSA-N 310.825 3.060 0 40 DGAB COc1cccc(CC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 12435851 NWPZHIXWAVDGMY-UHFFFAOYSA-N 324.380 3.225 0 40 DGAB COC(=O)CCCCCNC(=O)c1csc2c1CCCC2 24465333 UQXLOQKUZRTSMD-UHFFFAOYSA-N 309.431 3.090 0 40 DGAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 106523885 FOTRPQNJJTWSOL-MRHSLFKSSA-N 323.440 3.356 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)cc1C 101275404 GIDITOPCHVYZBJ-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB CCOc1ccccc1/C=C/C(=O)N(C)c1ccc(OC)nc1 58223935 DMKPETCLASAKGC-FMIVXFBMSA-N 312.369 3.165 0 40 DGAB O=C(NC1CC1)[C@@H](NCc1ccccc1Cl)c1ccccc1 24517515 UWAYZIAHJGQIBF-KRWDZBQOSA-N 314.816 3.450 0 40 DGAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccncc3)S2)cc1 408776419 OHDRRSNBFBDGJL-JBXOJTMHSA-N 311.410 3.244 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)c(F)c2)c1 3442741 QLAZRBORFKLIHM-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 118914868 ONVVZSHYQMOXLN-VWJMYWFESA-N 304.430 3.138 0 40 DGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCc1ccco1 8273135 WAHLSBZWVURTQP-ONEGZZNKSA-N 319.744 3.034 0 40 DGAB COc1ccccc1NC(=O)c1ccc(-n2nccc2C)cc1 8849038 NWSLBEIDLWVSTM-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB Cc1cc(-n2cc(C(=O)N[C@H](C)c3ccccc3)nn2)ccc1F 67262009 QPGYMCNPVJXNGN-CYBMUJFWSA-N 324.359 3.206 0 40 DGAB C[C@@H](Sc1ncnc2sccc12)C(=O)NC1CCCC1 6115459 AEIUDDDFMGASAX-SECBINFHSA-N 307.444 3.231 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4487712 HZTMPDOVKYDTNV-LLVKDONJSA-N 322.355 3.085 0 40 DGAB CCc1ccc(C(=O)O[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 5359959 ZNPPRHKYMONJKN-GFCCVEGCSA-N 322.364 3.404 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C)C(=O)N(C)c2ccccc2)n1 14110802 OIFLQNOWRSUVSW-LLVKDONJSA-N 304.419 3.072 0 40 DGAB COCCN(C)C(=O)Nc1cccc(OCC(F)(F)F)c1C 69594241 TZJUPEIPNZJRMZ-UHFFFAOYSA-N 320.311 3.046 0 40 DGAB O=C(N1CCC(Nc2cccnc2)CC1)C1(c2ccccc2)CC1 69509226 SVUXIPYEMRRSBH-UHFFFAOYSA-N 321.424 3.216 0 40 DGAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 28306035 RCIJHUMYUFXEIL-SECBINFHSA-N 305.280 3.185 0 40 DGAB COC(=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 6712759 CCAHZGFKFFHBFA-UHFFFAOYSA-N 308.337 3.067 0 40 DGAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2ncc[nH]2)cc1 69623157 FEWUZALOGWAZMK-QGZVFWFLSA-N 320.352 3.189 0 40 DGAB Cc1cc(C(=O)N[C@H](C)COCC(F)(F)F)c(C)n1C1CC1 67293762 SPVYECLEYJCNDD-SECBINFHSA-N 318.339 3.137 0 40 DGAB CCn1c(CSc2nc(C)cc(C)n2)nc2cc(N)ccc21 8992771 KJYAUMGGSUEXRN-UHFFFAOYSA-N 313.430 3.338 0 40 DGAB Cc1occc1C(=O)Nc1ccccc1-c1nnnn1C(C)C 96010224 VFZBSBXXIOTECF-UHFFFAOYSA-N 311.345 3.075 0 40 DGAB O=c1cc(CSc2cccc(Br)c2)occ1O 72290069 FVWRCPDOSWUWRZ-UHFFFAOYSA-N 313.172 3.400 0 40 DGAB CCOC(=O)Cc1ccccc1NC(=O)N(C)C[C@@H](C)CC 72283400 USIWECWUMRQSNN-ZDUSSCGKSA-N 306.406 3.302 0 40 DGAB C[C@@H]1CC[C@H](CCC(=O)N(C)C[C@@H]2OCCc3ccccc32)O1 110635947 OJWQLUGFFODLKU-KYJSFNMBSA-N 317.429 3.107 0 40 DGAB C[C@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccco1 96476467 YMWPHQRZTBJWBT-DOTOQJQBSA-N 300.402 3.004 0 40 DGAB CC(C)(C)NC1=NN=C(c2ccc(OC(F)F)cc2)CS1 9576093 MHSKUWSQSVKTSX-UHFFFAOYSA-N 313.373 3.483 0 40 DGAB O=C(C[C@H]1CCCO1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840024 IJSRUOVUXBHCJW-MRXNPFEDSA-N 312.413 3.443 0 40 DGAB CCN(C(C)=O)c1nc(CSc2nc(C)c(C)o2)cs1 71805669 GSWMZJOURPKUCG-UHFFFAOYSA-N 311.432 3.413 0 40 DGAB O=C(CCCc1cc(Cl)sc1Cl)NCc1cc[nH]n1 87106230 QIUFBQHYYYQQSY-UHFFFAOYSA-N 318.229 3.417 0 40 DGAB CC(C)[C@H](C(=O)N[C@H](C)C1CC1)n1cnc2cc(F)c(F)cc21 84409043 YYOQJXORISFUAC-QLJPJBMISA-N 321.371 3.426 0 40 DGAB O=C(/C=C/c1ccccn1)Nc1ccnn1Cc1cccs1 95364758 YQWWMUVCSHHSKT-VOTSOKGWSA-N 310.382 3.040 0 40 DGAB O=C(c1c(Cl)nc2ccccn12)N1CCOc2ccccc21 95953880 JIPSYELUDLRVFB-UHFFFAOYSA-N 313.744 3.027 0 40 DGAB COC(=O)CCN(C(=O)c1occc1C)c1ccccc1C 95940960 RAUFNZSJOGSJGE-UHFFFAOYSA-N 301.342 3.106 0 40 DGAB COc1cccc2c1O[C@@H](C)C(=O)N(c1ccc(F)cc1C)C2 75165547 PRTZWIUTMTZILT-LBPRGKRZSA-N 315.344 3.457 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28236983 CLBCQXRQJNGALG-ZDUSSCGKSA-N 322.412 3.319 0 40 DGAB O=C(O[C@@H]1CCCCC1=O)c1cnn(-c2ccccc2Cl)c1 64677003 CLFHAQCZFFPFNB-OAHLLOKOSA-N 318.760 3.194 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N[C@H]2CCO[C@H](C3CC3)C2)c1 124796947 NYESLHFLQXTGSB-JLSDUUJJSA-N 316.445 3.355 0 40 DGAB COc1ccc([C@@H](C)OCS(=O)(=O)c2ccccc2)cc1 3847542 HTPIYXMZNLFLIY-CYBMUJFWSA-N 306.383 3.204 0 40 DGAB biogenic COc1ccccc1[C@@H]1Nn2c(nnc2-c2ccccc2)S1 3843124 AWRXJXOAJIHKFU-OAHLLOKOSA-N 310.382 3.302 0 40 DGAB biogenic CC(=O)OCC(C)(C)CC(=O)N[C@@]1(c2ccccc2)CC1(C)C 1557663005 VSLJFWXMIDXUJL-LJQANCHMSA-N 317.429 3.407 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1cccc(C)c1C 32480869 YDZFXNVMPOCAQW-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cc1 31098424 HMBYJVYITZMBSF-KRWDZBQOSA-N 312.369 3.053 0 40 DGAB CC[C@@H]1CN(C(=O)[C@H](N)CCSC)CC[C@@H]1c1ccccc1 121666896 YTYFMAYFDOFJNW-HYVNUMGLSA-N 320.502 3.109 0 40 DGAB CCC(C)(C)NC(=O)C1=NN(c2cc(C)ccc2C)C(=O)CC1 32963816 XTULOERCBUPHSD-UHFFFAOYSA-N 315.417 3.091 0 40 DGAB CCCN1CCC(NC(=O)c2cc(C)nc3ccccc23)CC1 35683859 SIVWGJCOBMOBNL-UHFFFAOYSA-N 311.429 3.147 0 40 DGAB CC(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(F)c2)C1 72361696 LVLKBXIVEYFNKT-CYBMUJFWSA-N 315.348 3.134 0 40 DGAB c1ccc(CCN2CCC[C@H](c3ccnc4nccn34)C2)cc1 72368698 KUWDDRACTAMLIL-KRWDZBQOSA-N 306.413 3.151 0 40 DGAB COc1cccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)c1 72238542 QNGMIJNYJFNUJD-UHFFFAOYSA-N 309.325 3.043 0 40 DGAB COCCNC(=S)Nc1ccc(Sc2ccccc2)nc1 223886599 CETZSGJBEDOAQW-UHFFFAOYSA-N 319.455 3.166 0 40 DGAB Cc1ccc(CNC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034199 DWYDNKXKVUMUHF-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB COc1ccccc1OCC(=O)NC(C)(C)Cc1ccccc1 40621076 MMCVDKNCOWYOCH-UHFFFAOYSA-N 313.397 3.212 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2N[C@@H](c1ccccc1)c1ccccn1 195553781 JMQNIDIKBXNMOO-ROUUACIJSA-N 319.412 3.196 0 40 DGAB COc1ccc(CC(=O)NCCSC2CCCC2)cc1OC 46450327 ZQSCIOAOPMXYDY-UHFFFAOYSA-N 323.458 3.038 0 40 DGAB O=C(Cc1cccs1)Nc1ccccc1C(=O)N1CCCC1 45480009 VSYXQHLIYIJDEC-UHFFFAOYSA-N 314.410 3.165 0 40 DGAB COc1ccc(S(=O)(=O)NC(C(C)C)C(C)C)c(C)c1C 224067843 PAYPFVIWFQYUBX-UHFFFAOYSA-N 313.463 3.271 0 40 DGAB CCN(CC)C(=O)[C@@H](c1ccccc1)[S@@](=O)C1CCCC1 194487662 CNXGBFBDDWMQKH-IERDGZPVSA-N 307.459 3.287 0 40 DGAB CCc1nc(NCc2csc(C)n2)c2c(n1)c(C)nn2CC 226688113 VFXLDPNWLPWSKD-UHFFFAOYSA-N 316.434 3.094 0 40 DGAB Cc1ccoc1[C@@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 89515254 YYUCBNYFHMADEZ-CHWSQXEVSA-N 322.430 3.371 0 40 DGAB CCN(Cc1ccoc1)C(=O)Nc1cc(C(=O)OC)ccc1F 96403198 IKUUJQGGNYPKNW-UHFFFAOYSA-N 320.320 3.259 0 40 DGAB CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@@H](C)C2)C[C@@H]1C 247948852 PSNMSNPGJXNYAJ-YYKJLZTNSA-N 322.493 3.258 0 40 DGAB COCCOc1ncccc1-c1nc(C2CCCCC2)no1 252500162 SOBWXBYEMJAFEM-UHFFFAOYSA-N 303.362 3.205 0 40 DGAB Cc1ccc(S[C@@H](C(=O)N2CCCC[C@H]2C)C(C)C)nn1 585118569 UMZLCLUWFPDEDG-UKRRQHHQSA-N 307.463 3.303 0 40 DGAB CCOC(=O)c1cc(Br)c2cccc(OC)c2n1 685937623 URNOVPREJCOHQA-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB C[C@H](Oc1ccc(F)c(F)c1)C(=O)N(C)CCC(F)(F)F 58378034 YWHAFVJLIGJKRD-QMMMGPOBSA-N 311.250 3.143 0 40 DGAB COc1c(CN[C@@H]2CCOc3c(Cl)cccc32)c(C)nn1C 58421658 PQWDCTZEPLWYJZ-CQSZACIVSA-N 321.808 3.004 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccc2)[C@@H](C)C(=O)O)oc1C 580876265 HEQJYCGPZRDANK-LBPRGKRZSA-N 301.342 3.012 0 40 DGAB CCCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)NC(=S)N1 5699369 IXSXNOOCZBRTRB-ZDUSSCGKSA-N 324.833 3.086 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169632 CUXIFQBJDDRLIX-UXBLZVDNSA-N 311.337 3.354 0 40 DGAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 14219037 FBTPLSSQDHTRFH-LBPRGKRZSA-N 307.390 3.428 0 40 DGAB Cc1cc(O)ccc1NC(=O)[C@H]1CCCN1Cc1ccccc1 154048729 QAMCSKDINBIQET-GOSISDBHSA-N 310.397 3.304 0 40 DGAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 226301863 BCADCOQHPQXING-VXGBXAGGSA-N 314.385 3.087 0 40 DGAB Cn1cc(Cl)cc1C(=O)Nc1nc(-c2cccnc2)cs1 29255047 YKABXIXSZZEWFX-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB CN(c1ccccn1)C1CCN(c2nc3ccccc3n2C)CC1 1889151933 LJSGDWGFQSUBBE-UHFFFAOYSA-N 321.428 3.074 0 40 DGAB O=C(N/C(=C\c1ccc(Cl)cc1)[N+](=O)[O-])c1ccccc1 19878503 VTVCFQDNABZZEZ-GXDHUFHOSA-N 302.717 3.345 0 40 DGAB Cc1nn(C)c(C)c1C(=O)NCc1cc(-c2ccoc2)cs1 1775969969 UWPVACQDALTLSE-UHFFFAOYSA-N 315.398 3.288 0 40 DGAB FC(F)(F)c1ccc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)cn1 2298042589 VEIOMQHMCRWJRE-TXEJJXNPSA-N 311.351 3.021 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc2nc(Cl)cc(C)c2c1 19625399 ZUCCDTMMPYSCKO-UHFFFAOYSA-N 312.822 3.227 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)/C=C/c2cccs2)cc1 96103046 HJOHZKMTFOQLJF-XVJNWHFHSA-N 319.451 3.333 0 40 DGAB CS(=O)(=O)c1ccc(OCc2nc3ccccc3s2)cc1 40462494 UDTMINBMQRNMIY-UHFFFAOYSA-N 319.407 3.279 0 40 DGAB Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)c(C)c1 31338148 HFIUPXSXPCDFMS-UHFFFAOYSA-N 308.425 3.092 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@H]2CCCC[C@@H]21 40553796 QUIOFUMIEBIDNH-STQMWFEESA-N 318.398 3.187 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(SC)c2)cc1 363436 BHIBISAQWRCMMM-UHFFFAOYSA-N 309.412 3.218 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)C1(c2ccccc2)CCCC1 29215000 OUENCWYXFZPESX-UHFFFAOYSA-N 321.380 3.307 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 69489649 YEAHHDCUMFLDEG-GBESFXJTSA-N 323.440 3.467 0 40 DGAB CC(=O)NCc1ccc(-c2nc(-c3cccc(Cl)c3)no2)o1 69737326 OFKTXPALSRIJHP-UHFFFAOYSA-N 317.732 3.286 0 40 DGAB O=C(COC(=O)c1ccccc1F)Nc1ccccc1Cl 1993707 HKIODZNGHUYRGV-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1ccc(F)cc1 32691486 ZEIYHRHVADZAJB-MRXNPFEDSA-N 315.344 3.213 0 40 DGAB CC[C@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 102112599 ZENRSNXZUXNAKU-LJQANCHMSA-N 318.380 3.481 0 40 DGAB Cc1cccc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)c1 4288921 RKPISZITWLBBJM-HXUWFJFHSA-N 322.408 3.438 0 40 DGAB COC[C@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 32841448 IMIILJJMMXZQIS-VIFPVBQESA-N 308.378 3.022 0 40 DGAB Cc1ccc(-c2nnc(N(C)C(=O)c3ccccn3)s2)cc1 4880508 PPXZBTKHODOGIK-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB CN1C(=O)CC[C@@H](C(=O)NC2CCCCC2)[C@@H]1c1cccs1 57355889 DADDJZGOYAUTLZ-CZUORRHYSA-N 320.458 3.107 0 40 DGAB C[C@]12C[C@@H](NC(=O)N1c1cccc(C(=O)O)c1)c1ccccc1O2 100853566 VCKXLTWFHBRJCE-KDOFPFPSSA-N 324.336 3.154 0 40 DGAB COc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)cc1C 55546567 NOVAVJDQNCSKOS-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB COc1ccc(C)cc1C(=O)NCCOc1ccc(Cl)cc1 23746560 XVIHQJCOPWEFRM-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCOCC1)[C@@H]1CC=CCC1 55451444 AEWLDSLJPJEBCU-OAHLLOKOSA-N 317.404 3.346 0 40 DGAB Cc1noc(CSc2ccc(C(=O)NCCC(C)C)cc2)n1 25062987 SQLMJBLSDJZKPH-UHFFFAOYSA-N 319.430 3.446 0 40 DGAB CC(=O)c1ccc(NC(=O)CCNC(=O)OC(C)(C)C)cc1C 89918944 RUAWUMZSHHHVLP-UHFFFAOYSA-N 320.389 3.051 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)c2c(C)noc2C)C12CCCCC2 76042207 ULEVOVPQXDOQIJ-UONOGXRCSA-N 306.406 3.149 0 40 DGAB CCc1noc([C@@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 76046828 CURGWYRAWMYFFO-DGCLKSJQSA-N 317.437 3.312 0 40 DGAB Cc1ccsc1C(=O)NC[C@H](C)N1CCc2ccccc21 76147663 IFCWTHNCMKZUGZ-ZDUSSCGKSA-N 300.427 3.238 0 40 DGAB C[C@H]1C[C@H]1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3234944 ONHSFRKWIVDFCI-WMLDXEAASA-N 323.392 3.091 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)cc1 58246909 TZGPVLYPGAXLKX-CQSZACIVSA-N 321.380 3.201 0 40 DGAB C[C@H]1CN([C@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20549078 XFLUILIYAOXTNV-ISTVAULSSA-N 303.233 3.102 0 40 DGAB CCOc1ccc(CNC[C@@H](O)c2ccccc2)cc1OCC 22076040 IZIXNQWHRBJTAF-QGZVFWFLSA-N 315.413 3.307 0 40 DGAB Cc1cnc(NC(=O)c2cc(Br)ccc2O)s1 10622988 APEUTRPLQRSWRH-UHFFFAOYSA-N 313.176 3.172 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCCCC2)c1C 20488564 HMCQOOFQKBQROU-QGZVFWFLSA-N 318.461 3.063 0 40 DGAB Cc1cccc(OC(=O)c2nc(C)n(-c3ccc(F)cc3)n2)c1 12617949 PMUIPXOWDWKYCK-UHFFFAOYSA-N 311.316 3.242 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 29053130 CRKIBEXOAQNAGK-UHFFFAOYSA-N 319.408 3.471 0 40 DGAB COCCNC(=S)N(Cc1ccccc1)c1ccccc1 3328231 IYRPVBXOCUZHRT-UHFFFAOYSA-N 300.427 3.214 0 40 DGAB COc1ccc(S(=O)(=O)N2CCCc3cc(C)ccc32)cc1 12887319 QFHOMKPPMLAESF-UHFFFAOYSA-N 317.410 3.145 0 40 DGAB CCc1cccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)c1 3430494 JEPWHPQYONDRPL-SFHVURJKSA-N 310.397 3.455 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1C 12996818 IZLNBXKTBZXPFQ-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB Cc1ccccc1CN(Cc1ccccn1)C(=O)C1CCOCC1 69978871 WMEZIFIMWXOQPE-UHFFFAOYSA-N 324.424 3.345 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccc2c(c1)OCCCO2 64986958 CUZXYNXJNJXRHV-CSKARUKUSA-N 309.365 3.178 0 40 DGAB CCCCCNc1c(C(=O)OCC)c(=O)[nH]c2ccccc12 8772734 XITVGQBYHGMAKT-UHFFFAOYSA-N 302.374 3.307 0 40 DGAB CC[C@H](NCCC(=O)Nc1cc(C)on1)c1ccc(OC)cc1 39975603 JWYSGZWMCNTIMR-HNNXBMFYSA-N 317.389 3.061 0 40 DGAB COc1ccc([C@H]2C[C@H](OC(C)=O)ON2c2ccccc2)cc1 4473143 LOKIDVKJGMLQDP-QZTJIDSGSA-N 313.353 3.467 0 40 DGAB COc1cccnc1NC(=O)c1ccc(Br)s1 65593822 PPCAGIBYGZKTMK-UHFFFAOYSA-N 313.176 3.167 0 40 DGAB Cc1cc(C(=O)NCc2ccc3c(c2)OCO3)c(C)n1C1CC1 14126016 NTYDTGKWRVKWNH-UHFFFAOYSA-N 312.369 3.099 0 40 DGAB CC(=O)Nc1nc(CSc2nc3ccccc3n2C)cs1 6657767 DIPVLAKOOPVFQR-UHFFFAOYSA-N 318.427 3.281 0 40 DGAB Cc1ccc(-n2c(S[C@H](C)C(N)=O)nc3ccccc32)cc1 4829691 LJJJXJHRWBLFKE-GFCCVEGCSA-N 311.410 3.300 0 40 DGAB O=C(COc1ccccc1OCC(F)(F)F)NC1CCCC1 66825143 AKASFVDYTAKIHO-UHFFFAOYSA-N 317.307 3.065 0 40 DGAB O=c1c2c([nH]c3n[nH]c(=S)n13)-c1ccccc1CC21CCCC1 8914219 ABYJWFGJPGSJCN-UHFFFAOYSA-N 324.409 3.115 0 40 DGAB Fc1ccc(-n2c(S)nnc2-c2ccncc2)cc1Cl 5927085 ZLTJFNPIYJDXSU-UHFFFAOYSA-N 306.753 3.411 0 40 DGAB O=C(NC1CC1)c1c(-n2cccc2)sc2c1CCSC2 15658210 MMAWQUPOVQQUOM-UHFFFAOYSA-N 304.440 3.220 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)Nc2cccnc2Cl)s1 7776663 KOBQQLSIQYWWAP-ZCFIWIBFSA-N 314.823 3.014 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1 7924810 FVOWSRKKVAECLI-NSHDSACASA-N 303.333 3.334 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1cc(OC)c(OC)cc1C 69028417 NIGIGBGOTGMWAB-CYBMUJFWSA-N 322.405 3.045 0 40 DGAB CC(=O)c1c(O)cc(C)n(-c2cccc(C(F)(F)F)c2)c1=O 16769630 CYKUXMNBTABGBQ-UHFFFAOYSA-N 311.259 3.073 0 40 DGAB C[C@H](Sc1nnc(N)s1)c1nnc(-c2ccc(F)cc2)o1 8293661 MYBSSWGQMKUDBB-LURJTMIESA-N 323.378 3.163 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@H]1C=CCC1 8349819 WVHYDBDAEFZWRI-GJZGRUSLSA-N 310.401 3.143 0 40 DGAB CCCCc1nnc2sc(NC(=O)C3CCCCC3)nn12 20902162 DWCBJGJAUMOGAS-UHFFFAOYSA-N 307.423 3.047 0 40 DGAB CC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@@H]1CCOC1 71896088 KOUBQTUJQYEDID-GOEBONIOSA-N 307.459 3.442 0 40 DGAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H]1c1ccc[nH]1 71818715 SQFQIJZILJUMSU-HOCLYGCPSA-N 316.788 3.335 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1cccn1C 83888722 KRJVGBKHZSIFBG-ZFWWWQNUSA-N 315.442 3.264 0 40 DGAB Cc1cccc2cc([C@H]3NC(=O)c4cccnc4N3)c(Cl)nc12 72074738 QFPHGDBRPXCSDA-MRXNPFEDSA-N 324.771 3.446 0 40 DGAB Cc1cc(C(=O)N[C@@H](c2cccc(F)c2F)C(F)(F)F)on1 97085857 XOBKARMAPBSOCL-NSHDSACASA-N 320.217 3.295 0 40 DGAB C[C@](O)(CC(=O)NCc1ccnc2ccccc12)c1ccccc1 97059664 OJIYMUVQIBOVMF-FQEVSTJZSA-N 320.392 3.149 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)CCCc3cccs3)C2)no1 72231992 IHBVLGXOTYUYBO-CYBMUJFWSA-N 319.430 3.168 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)SCCS(C)(=O)=O 79345170 WLYURKUKUWGPDX-JTQLQIEISA-N 315.485 3.005 0 40 DGAB Nc1cc(CCCNCc2ccsc2)nn1-c1ccccc1 84569548 DTJCRPKXMQPKDJ-UHFFFAOYSA-N 312.442 3.238 0 40 DGAB c1ccc(-c2nc(C3CCN(c4ccccn4)CC3)n[nH]2)cc1 95396742 BKETULHNGSAZEO-UHFFFAOYSA-N 305.385 3.251 0 40 DGAB Cc1cc(Sc2nccn2Cc2ccccn2)nc(C2CC2)n1 89599410 XPCCXTSHPPLGHV-UHFFFAOYSA-N 323.425 3.453 0 40 DGAB O=C(O)[C@H]1C[C@@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 35708299 GPMRWWDIUGJBIG-ZLKJLUDKSA-N 307.777 3.198 0 40 DGAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C 36416308 XFAYCURSJBVIJG-SNMAAJBASA-N 321.442 3.388 0 40 DGAB CCc1ccc(OCC(=O)NCCSCc2ccco2)cc1 218954104 RTJVXUJIEQDMQZ-UHFFFAOYSA-N 319.426 3.270 0 40 DGAB CCC[C@H](NC(=O)c1coc(C2CCOCC2)n1)C1CCC1 556735411 JEAAZBBCRUXGBL-AWEZNQCLSA-N 306.406 3.267 0 40 DGAB Cn1c(CN[C@H]2CCCC[C@H]2C(F)(F)F)nnc1C1CCC1 124141984 JTEMFVSIYOGCOL-NEPJUHHUSA-N 316.371 3.293 0 40 DGAB CCOCCC1CCN(c2nc3ccccc3cc2CO)CC1 77979519 CSUWNXIFQNQFMU-UHFFFAOYSA-N 314.429 3.370 0 40 DGAB Cc1cccc(N2Cc3nc(N4CCC(C)CC4)ncc3C2=O)c1 46088803 XTMGVMZDIOOUID-UHFFFAOYSA-N 322.412 3.182 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N1CC[C@@H]1c1ccccc1 47347489 HRVXAFMKJWVDFN-GFCCVEGCSA-N 300.387 3.394 0 40 DGAB C[C@@H]1CCCCN1c1ccc(-n2cnnc2)cc1Br 226275989 COJWGZMPXFWPBW-LLVKDONJSA-N 321.222 3.409 0 40 DGAB CC[C@H](C)[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 194098443 CVZPANZSTPJWRV-STQMWFEESA-N 318.417 3.190 0 40 DGAB CCC[C@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225384043 GVUJXSJQUHAOBV-LBPRGKRZSA-N 305.447 3.288 0 40 DGAB Cc1ccc(C(=O)NCCCC(C)(C)C2OCCO2)c(C)c1 225056896 JNEMLXDCEMZZRC-UHFFFAOYSA-N 305.418 3.213 0 40 DGAB CC(C)(C)c1cc(Br)cc([C@@H](N)CC(=O)O)c1 142171370 MJBMLDJCRPGHLX-NSHDSACASA-N 300.196 3.221 0 40 DGAB CO[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 96241659 VYRVGMIVYHDGCN-PBHICJAKSA-N 305.393 3.039 0 40 DGAB Nc1ncnc2ccc(-c3cccc(C(=O)N4CCCC4)c3)cc12 96131623 UFASNCSCSUKLQX-UHFFFAOYSA-N 318.380 3.115 0 40 DGAB CCN(Cc1c(F)cccc1F)C(=O)[C@@H](N)c1ccccc1 236909164 GKONIHVDPHFYFZ-INIZCTEOSA-N 304.340 3.013 0 40 DGAB CCOc1ccc([C@H]2Cn3nc(C)c(C(=O)O)c3N2)cc1Cl 96530360 RVACQLSMHQUMEN-LLVKDONJSA-N 321.764 3.109 0 40 DGAB O[C@@H](COc1cccc2[nH]ccc12)CSc1ccccn1 96471592 KYZSVCSRHPRCEU-LBPRGKRZSA-N 300.383 3.095 0 40 DGAB C[C@H](c1ccccc1)[C@@H]1CC(=O)N(c2cc(Cl)ccn2)C1=O 95546362 RXGOKSDHHDDTQM-RISCZKNCSA-N 314.772 3.418 0 40 DGAB Cn1ccc2cc([C@@H](O)CNC(=O)/C=C/c3ccccc3)ccc21 245026681 NFWTZZHKNYISQT-IBGZPJMESA-N 320.392 3.041 0 40 DGAB COC1CN(c2ccc(NC(=O)c3ccc(C)s3)cc2)C1 253405124 RUTIUNHXIDQSJB-UHFFFAOYSA-N 302.399 3.144 0 40 DGAB C[C@@H]1C[C@@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1 252142004 NIUIYONNBJSBMH-PVAVHDDUSA-N 306.494 3.439 0 40 DGAB CC(C)COc1ncccc1C(=O)N1CCCc2occc2C1 585083974 IJDLHXUQJPLLBW-UHFFFAOYSA-N 314.385 3.298 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@@H]1c1cccc2nccn12 257331409 XSSYYFLCALVENM-OAHLLOKOSA-N 311.410 3.302 0 40 DGAB Cc1nc(C(=O)Nc2ccn(Cc3ccc(F)cc3)n2)cs1 257173290 IQAZSTPPOCYJGN-UHFFFAOYSA-N 316.361 3.088 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cc(C3CC3)on2)cc1C 252492704 MTCPGXXWCYOCHX-UHFFFAOYSA-N 320.370 3.351 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Nc1cccnc1Cl 58084816 OKKDKOKKXJUMIW-UHFFFAOYSA-N 302.761 3.241 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1Cc2cccnc2C1 550124158 WHCWLELLOKTRBF-UHFFFAOYSA-N 316.788 3.435 0 40 DGAB C[C@]1(F)CCN(C(=O)c2cc(F)ccc2Br)C1 95452187 CMERPMNTWWQQIM-LBPRGKRZSA-N 304.134 3.162 0 40 DGAB COc1ccc([C@H]2CC(=O)N(C(=O)/C=C/c3ccccc3)C2)cc1 3136197 OVCAWYPGVCUJEJ-CRVDFBCUSA-N 321.376 3.251 0 40 DGAB CC(=O)c1ccc(CCNC(=O)CSC2CCCC2)s1 225670592 RINCYUFAZXZCCB-UHFFFAOYSA-N 311.472 3.285 0 40 DGAB CCN(CC)C(=O)COc1ccc(C)cc1Br 5952341 CQDYTGVVVPWGQC-UHFFFAOYSA-N 300.196 3.005 0 40 DGAB Nn1c(SCc2ccc(Cl)cc2)nnc1-c1ccco1 5335814 DHYUHGUJMGEVLV-UHFFFAOYSA-N 306.778 3.198 0 40 DGAB Cc1ccc(C)c(-n2nnnc2SCC(=O)c2ccccc2)c1 5927953 VKILPPIFNDSCFY-UHFFFAOYSA-N 324.409 3.254 0 40 DGAB COc1ccccc1-c1cccc(CNc2nc(C)n(C)n2)c1 12361074 MSAXCGVHRFFVNM-UHFFFAOYSA-N 308.385 3.411 0 40 DGAB COc1ccc2c(c1)s/c(=N/C(=O)/C=C/c1ccccc1)n2C 12621368 JJPWHICEISCZKE-UPJQGEOVSA-N 324.405 3.389 0 40 DGAB COc1ccc(-c2nc(C)c3c(C)c(C(N)=O)sc3n2)cc1 13722183 VKGNOOSNGWRNET-UHFFFAOYSA-N 313.382 3.083 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)c2ccc(F)cc2)cc1Cl 14153104 YPAOOJBVKAXVLE-UHFFFAOYSA-N 320.751 3.156 0 40 DGAB C[C@@H](CCCc1ccccc1)NC(=O)c1cc2c([nH]c1=O)CCC2 19455592 KXFQMUCBDISVAL-AWEZNQCLSA-N 324.424 3.005 0 40 DGAB Cc1noc(-c2c[nH]nc2[C@H]2CCCCN2C(=O)C2CC2)c1C 19557842 ABUMZUJGBPWNNQ-CQSZACIVSA-N 314.389 3.145 0 40 DGAB CC(=O)Cn1cnc2scc(-c3ccc(C)c(C)c3)c2c1=O 4056268 JHJPEAFDHPTNNZ-UHFFFAOYSA-N 312.394 3.331 0 40 DGAB CC[C@@H](C(=O)NCc1ccc(-c2ccnn2C)o1)c1ccccc1 1888897795 VLSIDKUNVCXTLZ-MRXNPFEDSA-N 323.396 3.490 0 40 DGAB CSc1ccc2nc(N3CCC4(CC3)OCCO4)sc2c1 1888941637 OVLMLHJEUMNLNB-UHFFFAOYSA-N 322.455 3.362 0 40 DGAB CCC(C)(C)NC(=O)C1CCN(c2ccc(Cl)cn2)CC1 32145734 CFZJPNYOHIKVGW-UHFFFAOYSA-N 309.841 3.256 0 40 DGAB CCC(CC)C(=O)NCCc1cc2cc(C)c(C)cc2[nH]c1=O 8624753 YFZSKFCASGUTAU-UHFFFAOYSA-N 314.429 3.240 0 40 DGAB CC(=O)c1cccc(NC(=O)c2csc(-n3cccc3)n2)c1 38679046 IYWAUJXDHSMLGX-UHFFFAOYSA-N 311.366 3.389 0 40 DGAB Clc1ccc(N2C[C@@H]3CN(Cc4ccccc4)C[C@@H]3C2)nc1 480584323 SDVYZHMXJLYYDA-IYBDPMFKSA-N 313.832 3.303 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19462794 PQNMHZOAYOOFFR-DOMZBBRYSA-N 309.413 3.179 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccccc1I 40095988 ILFAMVFUPGELQL-QMMMGPOBSA-N 318.158 3.211 0 40 DGAB O=C(NCCCOCc1ccco1)c1ccc(-n2cccc2)cc1 40024504 OKERLITZZFDZDI-UHFFFAOYSA-N 324.380 3.407 0 40 DGAB C[C@H]1CN(c2ncnc3c(Br)cccc23)C[C@H](C)O1 40122906 NKWOOZYNQJBGKL-UWVGGRQHSA-N 322.206 3.006 0 40 DGAB CC(=O)Oc1cc2occ(-c3cscn3)c(=O)c2cc1C 178242 NIUMVSRZNVAYFH-UHFFFAOYSA-N 301.323 3.150 0 40 DGAB biogenic COc1ccccc1N1C(=O)N[C@H]2C[C@@]1(C)Oc1ccccc12 101353037 JSRWHDCYDDQXIS-SCLBCKFNSA-N 310.353 3.465 0 40 DGAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccccc2O)c1 512914 FAZRLFRKMSLCQN-UHFFFAOYSA-N 300.383 3.136 0 40 DGAB Cn1nnc2cc(C(=O)Nc3ccc4ccccc4c3)ccc21 807266 IKDXYEOTMKMCQM-UHFFFAOYSA-N 302.337 3.374 0 40 DGAB CCn1cc(CNCC(C)(C)N[C@@H](C)c2ccccc2)cn1 69743606 PYTXZWNPUCDXMQ-HNNXBMFYSA-N 300.450 3.122 0 40 DGAB CC(C)(C)c1csc(NC(=O)c2ccc3c(c2)OCCO3)n1 4194613 BSHNYYRNFBDOSZ-UHFFFAOYSA-N 318.398 3.464 0 40 DGAB CCCC(=O)NC(=S)Nc1ccccc1N1CCCCC1 6569704 FPBZHWDEVGLRKR-UHFFFAOYSA-N 305.447 3.290 0 40 DGAB CC(=O)Nc1cccc(OCC(=O)NCCC2=CCCCC2)c1 2660241 FBZFMBBSLJIUFS-UHFFFAOYSA-N 316.401 3.031 0 40 DGAB Cc1ccccc1OCCCN1C(=O)C(=O)c2cccc(C)c21 2699807 QGKNHBBFAZMVDS-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB CCC[C@@H](NC(=O)NCc1nccn1C)c1ccc(F)cc1F 89949734 GQHBMXJPWJDSOA-CQSZACIVSA-N 322.359 3.039 0 40 DGAB O=C(CCC1CCCCC1)NCc1ccc(-n2ccnc2)nc1 33044885 BAAXOOAUJRCTPP-UHFFFAOYSA-N 312.417 3.244 0 40 DGAB CCOC(=O)c1cc(C)n(Cc2cccc(OC)c2OC)c1C 501311 MUZQVTILHJDISW-UHFFFAOYSA-N 317.385 3.347 0 40 DGAB Cc1ccc(C2=NN=C(NC(=O)c3ccccc3)SC2)cc1 33689719 OBHVMGQRIVYKAN-UHFFFAOYSA-N 309.394 3.232 0 40 DGAB CN(C)C(=S)/N=c1/ssc(=S)n1-c1ccccc1 104277160 DIAZUBDZEAMEMY-ZRDIBKRKSA-N 313.498 3.077 0 40 DGAB Cc1cccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 22464967 JAVLWOGHMDIWHB-CYBMUJFWSA-N 312.369 3.471 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1n[nH]c2ccccc12 22408848 PZHLRXBWJYFDTA-NXEZZACHSA-N 311.307 3.414 0 40 DGAB Cc1nc2cc(NC(=O)[C@@H]3CCCO3)ccc2n1-c1ccccc1 22675189 WMEHIXOAUYIFLB-SFHVURJKSA-N 321.380 3.451 0 40 DGAB CCOCc1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1 104333047 SGPMCOKLYPOWEI-UHFFFAOYSA-N 304.390 3.010 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)[C@@H](C)Oc1ccccc1 55693340 JLVRZIUNLMBPIX-JKSUJKDBSA-N 313.397 3.346 0 40 DGAB Cc1ccccc1CSCCNC(=O)COc1ccccc1 24606119 NQSSPGVHKMQRLM-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB Cc1cc(CNc2ccc(Cl)cc2C(=O)N2CCCC2)no1 55866754 DXAXNJZSHKLNHI-UHFFFAOYSA-N 319.792 3.485 0 40 DGAB Cn1c(NC(=O)Nc2ccc(F)cc2F)nc2ccccc21 27923913 QAGMPNZVHBPIPT-UHFFFAOYSA-N 302.284 3.496 0 40 DGAB CCOC(=O)c1cc(-c2ccc(OC)cc2)nc2onc(C)c12 3228763 RXWAPXUBGSYOMK-UHFFFAOYSA-N 312.325 3.384 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2F)cc1OC 12681089 GEZVZJUOUVUNLC-LLVKDONJSA-N 319.332 3.249 0 40 DGAB COC(=O)COc1cccc(NC(=O)Nc2ccc(F)cc2)c1 27356941 SUSLNVDGQWTURI-UHFFFAOYSA-N 318.304 3.022 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1ccc(C)cc1 20493668 FPFVMVDPFIOQQQ-GOSISDBHSA-N 302.462 3.308 0 40 DGAB CC(C)CNC(=O)c1sc(=S)n(-c2ccccc2)c1N 2217197 GNDJSPHUCNXGSJ-UHFFFAOYSA-N 307.444 3.236 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(C)c(Cl)c2)cc1 8302544 MFPUFUHWGPPDOL-UHFFFAOYSA-N 316.788 3.325 0 40 DGAB O=c1[nH]c2ccc(NC(=S)Nc3cccc(Cl)c3)cc2[nH]1 3444556 XERYECIMAJKZGW-UHFFFAOYSA-N 318.789 3.319 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 13260724 NXJNBWFQZLMJRI-ZETCQYMHSA-N 320.147 3.069 0 40 DGAB COc1ccc(/C=C/c2ccnc3nc(-n4cccc4)nn23)cc1 4041508 AEKDARFMZJBADI-QPJJXVBHSA-N 317.352 3.094 0 40 DGAB CC(C)(C(=O)Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1F 69538150 LLTWWTHZWGGBIW-UHFFFAOYSA-N 314.316 3.177 0 40 DGAB O=C(COc1ccccc1F)Nc1nc2c(s1)CCCC2 6342634 XGTBUVCDMIEXAB-UHFFFAOYSA-N 306.362 3.179 0 40 DGAB CC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl 65565182 FQPRPDCEGVVMFV-MRVPVSSYSA-N 317.216 3.085 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)N[C@H](C)CCCC(C)C)C(=O)OC 5347663 VNSUOBYJAXLNLM-MCIONIFRSA-N 300.443 3.088 0 40 DGAB O=C(Nc1ccc(F)cn1)c1cc(Br)ccc1F 65623389 NIXHLVXVBZAAHK-UHFFFAOYSA-N 313.101 3.375 0 40 DGAB C(=C/c1nn2c(-c3cccs3)nnc2s1)\c1cccnc1 4709414 QJNGFKLCVFTKIN-AATRIKPKSA-N 311.395 3.480 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)n1C(C)C 5693780 SQTVRNGCJWAPQS-UHFFFAOYSA-N 315.369 3.431 0 40 DGAB O=C(NCc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 8721320 OHPMFKZVNGHGFU-UHFFFAOYSA-N 318.380 3.075 0 40 DGAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)[C@H](C)C(C)C 67114938 IHLLOHVTAOYXGE-CYBMUJFWSA-N 302.422 3.092 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 7068360 WFLFWZDMZGDDHZ-UHFFFAOYSA-N 320.352 3.083 0 40 DGAB COc1cccc(CNc2nccn(-c3cccc(C)c3)c2=O)c1 15732380 IIKIYVLNEPVEEY-UHFFFAOYSA-N 321.380 3.162 0 40 DGAB Cc1ccc(F)cc1NS(=O)(=O)c1cc(F)cc(F)c1 16130062 PQLLUHIYDGZNFK-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB Cc1ccc(C(=O)N[C@@H](CN(C)C)c2ccccc2)cc1F 7818276 DPEMDTKXUGGCJA-KRWDZBQOSA-N 300.377 3.167 0 40 DGAB Cc1ccsc1C(=O)N[C@H](c1ccccc1)[C@@H](C)C(=O)O 97018276 HIUGRFSOYAYGNS-YPMHNXCESA-N 303.383 3.248 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCO[C@H]2CCC[C@H]21 71823503 YMABBIVEYLMCEL-MOPGFXCFSA-N 324.424 3.174 0 40 DGAB C[C@H](NC(=O)NC1CCN(C)CC1)c1csc2ccccc12 72268198 YUXVSEWNVAUIEZ-LBPRGKRZSA-N 317.458 3.356 0 40 DGAB O=C1[C@@H](NC2CCCCCCC2)CCCN1c1cccnc1 97108623 QGAHLPNAQVFHDF-KRWDZBQOSA-N 301.434 3.280 0 40 DGAB C[C@@H](NCC1OCCO1)c1ccc(Oc2cccnc2)c(F)c1 97232314 OABWVXKKDOVDKE-GFCCVEGCSA-N 318.348 3.037 0 40 DGAB Cc1nc(CNC(=O)N[C@@H](C)c2csc3ccccc23)no1 76087371 FXUWKXUQOIJBSD-VIFPVBQESA-N 316.386 3.153 0 40 DGAB CC(C)Nc1c(Cl)cccc1NC(=O)CN1CCCCC1=O 76092791 MYTGQPAKHKPCGZ-UHFFFAOYSA-N 323.824 3.111 0 40 DGAB CCCCc1noc([C@@H](C)N[C@H]2CCCc3c2cnn3CC)n1 76047054 DBAKDGRZWHNNNV-OCCSQVGLSA-N 317.437 3.357 0 40 DGAB CN(C(=O)Cc1cccs1)c1ncccc1Br 97372279 PFCOMOFYESOUFC-UHFFFAOYSA-N 311.204 3.111 0 40 DGAB Cc1cc(C)cc([C@@H](NC(=O)c2cn[nH]c2C)c2cccnc2)c1 95395703 NBJHXWXENRXEFZ-SFHVURJKSA-N 320.396 3.249 0 40 DGAB C[C@@H](O)C1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 84636618 ZPQOUCIMKKVGAQ-OAHLLOKOSA-N 301.430 3.019 0 40 DGAB CC1(C)OC[C@@H](COC(=O)c2csc(-c3ccccc3)n2)O1 95450758 CWYVEXJALKPJHV-GFCCVEGCSA-N 319.382 3.118 0 40 DGAB Cc1ccccc1[C@@H](O)CSc1nc(-c2ccncc2)n[nH]1 95404017 KNQLMFOMURBVNP-AWEZNQCLSA-N 312.398 3.001 0 40 DGAB Cc1ccc(F)c(NC(=O)N2CCCC[C@H]2c2nc[nH]n2)c1 95468892 ZYOPIYKLHBCJGQ-ZDUSSCGKSA-N 303.341 3.011 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c(C)c1 78993342 USLMYNWKEOCNTE-CZUORRHYSA-N 306.406 3.066 0 40 DGAB Cc1cc(C)c(NC(=O)N[C@@H](CO)c2ccccc2)c(Cl)n1 78988638 PCSZWKCJUFAOAR-ZDUSSCGKSA-N 319.792 3.207 0 40 DGAB Cc1cc(CN2CC[C@H](OCCCc3ccccc3)C2)on1 79503100 GXVXAZWDRIFVAS-KRWDZBQOSA-N 300.402 3.207 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCC[C@@H]2C)c1C 21875435 PLSHSHYPRLZHOF-GXFFZTMASA-N 306.406 3.117 0 40 DGAB C[C@@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 21809529 SUZPBBSUTBAACQ-RULNRJAQSA-N 303.233 3.102 0 40 DGAB CC(C)(C)OC(=O)C[C@@H](Nc1cc2ccccc2s1)C(=O)O 64219617 XBTDIPDXBTXTSI-LLVKDONJSA-N 321.398 3.498 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cc(F)ccc1C 32404684 LDZRQCGSPJZLJU-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB COc1ccc(CN(C)C(=O)CCc2ccccc2)cc1OC 30758516 OFXQKIRSAZSUTP-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB COc1ccnc(N2CCN(C/C(C)=C/c3ccccc3)CC2)c1 513396121 BWKBPZKJBYUAIA-SAPNQHFASA-N 323.440 3.316 0 40 DGAB COc1ccc(-c2nc3ccccn3c2/C=C/C(=O)O)cc1OC 31973092 ALHBDVLFFIONPD-VQHVLOKHSA-N 324.336 3.116 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc2c(c1)CCN2 34955661 AETNRIJBANZYQC-UHFFFAOYSA-N 308.790 3.109 0 40 DGAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 72227496 SHUHHFLSHVCXGV-ZIAGYGMSSA-N 306.287 3.121 0 40 DGAB CNC[C@@H]1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 563142941 SGBSLLNGBYEAEW-INIZCTEOSA-N 323.440 3.420 0 40 DGAB O=C(Cc1ccon1)N1CCc2cc(Cl)cc(Cl)c2C1 84209467 HSKQGQWYDSGBSP-UHFFFAOYSA-N 311.168 3.109 0 40 DGAB CC1CCC(NC(=O)C(=O)Nc2ccc(F)c(Cl)c2)CC1 42645856 FERYICOORNHSLQ-UHFFFAOYSA-N 312.772 3.113 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2F)cc1 222966084 LZJHCIOBPQQVFM-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB C[C@@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 41103632 WDGWDGGIVFTXGY-LLVKDONJSA-N 301.308 3.343 0 40 DGAB COc1ccc(CC(=O)N(C)Cc2ccccc2OC)cc1C 224719090 FDLHIJDIILRSFJ-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB C1CCC(O[C@H]2CCCC[C@@H]2N2CCN[C@@H]3CCCC[C@@H]32)C1 225714743 ARUFQWJKFOKKNK-XWSJACJDSA-N 306.494 3.473 0 40 DGAB CCCc1noc(CN(C)Cc2ccc(Br)o2)n1 48052962 IBJJQLDCIOIMIB-UHFFFAOYSA-N 314.183 3.010 0 40 DGAB Cc1csc(C(C)(C)NCCC(=O)Nc2ccc(F)cc2)n1 96443393 JTBGDOINSHOBGG-UHFFFAOYSA-N 321.421 3.444 0 40 DGAB COc1ccccc1C[C@@H](C)NC[C@@](C)(O)c1cccs1 95422982 CYQOCFTVMMNHBL-CXAGYDPISA-N 305.443 3.185 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1ccc2c(ccn2C(C)C)c1 95472994 HPHOHCLFCGCMOD-QGZVFWFLSA-N 313.445 3.436 0 40 DGAB Cn1nc(C2CC2)nc1CN1CCC(OC2CCCCC2)CC1 580307404 PWCPOAIGNJKVGF-UHFFFAOYSA-N 318.465 3.006 0 40 DGAB C[C@@H](NC1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21 90845613 VQUZHJIGVSBJBN-QAPCUYQASA-N 323.440 3.205 0 40 DGAB CC[C@@H](O)[C@@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1F 585126820 JBWXCLDDHUVJTI-WDEREUQCSA-N 319.298 3.009 0 40 DGAB Cc1cc([C@@H]2CN(C(=O)/C=C/c3ccccc3)CCO2)ccn1 257343642 ZTVRVGTWXXCWOU-DVBCCOPCSA-N 308.381 3.003 0 40 DGAB CC(C)n1ccc(NS(=O)(=O)c2ccc(F)cc2Cl)n1 280984691 MHVHPYNLOIJECM-UHFFFAOYSA-N 317.773 3.057 0 40 DGAB Cn1cc([C@@H](O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 96096409 IZHKBVKSHPJJCU-CVTTXWKISA-N 320.392 3.041 0 40 DGAB COc1ccccc1C[C@H]1CCCN1C(=O)CC[C@H]1CCCO1 58245132 CLLIGVQNDVOFKK-IAGOWNOFSA-N 317.429 3.188 0 40 DGAB CCCN(C(=O)NCC(F)(F)F)[C@H]1C[C@@H](OCC)C1(C)C 72305978 VJFSJBQPQAIXOD-WDEREUQCSA-N 310.360 3.174 0 40 DGAB CCCCOc1ccc(/C=C2/SC(=O)NC2=O)cc1OC 2169544 VPKFRJCWFUPRIH-UKTHLTGXSA-N 307.371 3.198 0 40 DGAB Cn1/c(=N/NC(=S)Nc2ccccc2)sc2ccccc21 5002569 PCNLNPNIPBLPGR-SDXDJHTJSA-N 314.439 3.042 0 40 DGAB CCOc1ccccc1O[C@H](C(=O)NC1CC1)c1ccccc1 12985740 LKOLSXVRZBVTFV-SFHVURJKSA-N 311.381 3.484 0 40 DGAB CCCCC(=O)N[C@@H](C)c1nc(-c2ccc(OC)cc2)no1 13495089 NUGYICKEGQMXAW-NSHDSACASA-N 303.362 3.113 0 40 DGAB COC(=O)c1ccccc1N(C)C(=O)c1ccc(Cl)cc1 16188859 MEQFWEADKMVLJD-UHFFFAOYSA-N 303.745 3.403 0 40 DGAB COc1ccc([C@H](c2ccc(Cl)cc2)N2CCNCC2)cc1 19366602 WQYALBMWJNGHIB-SFHVURJKSA-N 316.832 3.343 0 40 DGAB CCCCO[P@](C)(=O)O[C@@H](C(=O)OCC)C(F)(F)F 2566660 BBBFSMOJRZSRHP-RLBGWGEZSA-N 306.217 3.137 0 40 DGAB CCc1cc(N)cc(Br)c1N1C[C@@H](C)O[C@H](C)C1 226315869 DLZSWQGSMDZELU-NXEZZACHSA-N 313.239 3.207 0 40 DGAB O=C(CCc1ccccc1)N1CCC(Cc2ccncc2)CC1 1848352159 SHBLHLYSNHVTIT-UHFFFAOYSA-N 308.425 3.496 0 40 DGAB CCOC(=O)c1nc2c(Br)c(Cl)ccc2[nH]1 1857775467 PPGXAMHHSYQKIP-UHFFFAOYSA-N 303.543 3.156 0 40 DGAB CC(C)c1n[nH]c(SCc2nc(Cc3ccccc3)no2)n1 31650845 PHRKPDGPMDFBBE-UHFFFAOYSA-N 315.402 3.194 0 40 DGAB CCSc1nc2c(c(=O)n1-c1ccc(C)cc1)SCC2 213953 CCYVFCSAZZYFLG-UHFFFAOYSA-N 304.440 3.301 0 40 DGAB Cc1c(C(=O)C(=O)N2C[C@H](C)C[C@@H](C)C2)c2ccccc2n1C 4062421 QCDGFBPOSKFWNA-CHWSQXEVSA-N 312.413 3.174 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1cc(-c2ccoc2)cs1 1775969777 KWUQHVRMOVSAPR-UHFFFAOYSA-N 316.382 3.472 0 40 DGAB O=C(NCc1nccnc1-c1ccco1)c1cc2ccccc2o1 575414226 AAPHTQOLCYRKGT-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB CC(C)c1nnc(SCCCOc2ccc(C(=O)O)cc2)o1 8731633 SHJRGSYMWPTFQZ-UHFFFAOYSA-N 322.386 3.452 0 40 DGAB O=C(NCc1cccc(F)c1)c1cc(-c2ccccc2O)on1 6750131 PXFNRIDBEDCLBL-UHFFFAOYSA-N 312.300 3.116 0 40 DGAB C[C@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 16605301 KOPMBYCTVXWJDR-HNNXBMFYSA-N 303.818 3.412 0 40 DGAB C[C@@H](CNC(=S)NCc1ccc(F)cc1)N1CCCC[C@H]1C 36847489 SNMRRVUCTSMAKW-KGLIPLIRSA-N 323.481 3.053 0 40 DGAB CC(=O)Nc1cccc(NC(=O)N[C@H]2CCc3ccccc3C2)c1 69774381 MPEATHJTHNMZEP-SFHVURJKSA-N 323.396 3.324 0 40 DGAB CCCSc1nnc(-c2cc(OC)c(OC)c(OC)c2)o1 2340288 JAHNTTXXAVNXBF-UHFFFAOYSA-N 310.375 3.265 0 40 DGAB CC(=O)c1cccc(NC(=O)CN(C)Cc2sccc2C)c1 8309809 RLKDBTLDPSBNBO-UHFFFAOYSA-N 316.426 3.330 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cc(F)ccc1F)S[C@@H](C)C(=O)N2 6678426 TVKAVLHLAFALOA-JVXZTZIISA-N 309.341 3.160 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCCCC1 2781584 LHIZERAWEFKFHY-NSHDSACASA-N 303.328 3.174 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2n[nH]c3ccccc23)cc1F 21938213 FFWLIJBOAPMZNP-JTQLQIEISA-N 313.332 3.202 0 40 DGAB Brc1cccc(N2CCN(c3ccccc3)CC2)n1 69465655 ALZOXQOTODYFDE-UHFFFAOYSA-N 318.218 3.171 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)NCc1cccnc1 903285 OENKGMNTCLXEPV-UHFFFAOYSA-N 311.168 3.084 0 40 DGAB NC(=O)c1ccc(NC(=O)Nc2ccccc2C(F)(F)F)cc1 51354214 IJMDXJDMXFZHSV-UHFFFAOYSA-N 323.274 3.448 0 40 DGAB COC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1ccncc1 1393471 VZYJBJULNNIUBO-UHFFFAOYSA-N 305.337 3.301 0 40 DGAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)c2cccnc12 24987368 NXXHCLKQYAYXNV-QGZVFWFLSA-N 304.349 3.485 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@]1(C[C@@H]3CC[C@@H]1N3C(=O)C(C)C)O2 100209293 JXZYYFPMWQQSMX-IXDGSTSKSA-N 313.397 3.118 0 40 DGAB C[C@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C#N)cc1 26134833 AYQKBIXVCSPYAO-LBPRGKRZSA-N 318.332 3.156 0 40 DGAB Cc1ccc([C@H]2CCCN2[C@H](C)C(=O)NCC(F)(F)F)s1 108123920 YLRHGBYKXUDKLK-GHMZBOCLSA-N 320.380 3.260 0 40 DGAB Cc1ccc(Cn2cc(NC(=O)Cc3cccs3)cn2)cc1 27919917 PCLKDGXRVAFDMD-UHFFFAOYSA-N 311.410 3.483 0 40 DGAB Cc1cccc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)n1 12639517 SBKUUGNFZQUJTE-UHFFFAOYSA-N 309.373 3.276 0 40 DGAB Cc1c(O)ccc2c(CN3CCC[C@H]3c3ccc[nH]3)cc(=O)oc12 58355600 WKVHZWCVUPTXED-INIZCTEOSA-N 324.380 3.472 0 40 DGAB Cc1cc(CNC(=O)c2cnc(C)cn2)c2[nH]c(C)c(C)c2c1 58426297 JNQIBNSUACLFCU-UHFFFAOYSA-N 308.385 3.122 0 40 DGAB O=C(CCc1nc(-c2ccccc2)no1)NCCc1ccccc1 2332717 KCAAKNDWTOASQH-UHFFFAOYSA-N 321.380 3.028 0 40 DGAB CC(C)NC(=O)CSc1nc(C2CC2)nc2ccccc12 10940540 NSXCVPSUAQQYQS-UHFFFAOYSA-N 301.415 3.124 0 40 DGAB COc1ccccc1[C@@H](C)N[C@H](C(=O)NC1CC1)c1ccccc1 12793339 WXNDXLMCCGRIBY-KUHUBIRLSA-N 324.424 3.366 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)cc(F)c1 12974092 ZEVJRXTYMOBJIO-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB COc1cccc(CNCc2ccc(-n3ccnc3)cc2)c1OC 48751949 JKURQSHYQSBNIX-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB CC(=O)NCc1ccc(-c2nc(-c3ccc(C)c(F)c3)no2)o1 69600366 FMBKJUFIFNVZDQ-UHFFFAOYSA-N 315.304 3.080 0 40 DGAB O=C(NCCc1ncc(-c2ccccc2)[nH]1)Nc1ccccc1 64345483 XZJIQCVRGMFTON-UHFFFAOYSA-N 306.369 3.441 0 40 DGAB C[C@@H](NC(=S)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13819659 YWUKMSOMQPWLIP-LIFKJRKOSA-N 322.518 3.234 0 40 DGAB c1ccc(OCCCNCc2c[nH]nc2-c2cccnc2)cc1 65474259 IBNFZYXRJMMDOH-UHFFFAOYSA-N 308.385 3.030 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCCSc2ccccc2)c1 14023509 VSANEKJOCRWMTB-UHFFFAOYSA-N 314.410 3.167 0 40 DGAB Clc1ccc2nc(CSc3nc(C4CC4)n[nH]3)cn2c1 14114941 RAZYFLJKNXGIHU-UHFFFAOYSA-N 305.794 3.276 0 40 DGAB CCc1sc(C(=O)N2CC(=O)Nc3ccccc32)cc1C 14138761 GZHKASGYQYWKKH-UHFFFAOYSA-N 300.383 3.218 0 40 DGAB O=C1N=C(Nc2cccc(Cl)c2)N2Cc3ccccc3C[C@H]12 14201616 CYYIDVKQAAGYNY-OAHLLOKOSA-N 311.772 3.075 0 40 DGAB Cc1cc(C)n(-c2cc(Nc3c(F)cccc3F)ncn2)n1 8715311 QZXANJRGAJESCY-UHFFFAOYSA-N 301.300 3.301 0 40 DGAB CCOc1ccc(NC(=O)Nc2cc(C)on2)cc1OCC 8753644 SWVHLCMEXHBMBO-UHFFFAOYSA-N 305.334 3.424 0 40 DGAB CN(Cc1ccc(F)cc1)S(=O)(=O)c1cccc(Cl)c1 6627486 SXTUJWRLJQUBOW-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)c1 6831316 AOLPKFQLWVPSMP-AWEZNQCLSA-N 316.307 3.017 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)Nc2ccccc2)c1C 8848316 PQUYRKMZFKLDKJ-UHFFFAOYSA-N 311.385 3.406 0 40 DGAB Cc1cc(C)cc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 15860722 XYPLAYBOVGLMRV-INIZCTEOSA-N 310.397 3.401 0 40 DGAB CCCN(Cc1cccc2ccccc12)[C@@H]1CCS(=O)(=O)C1 71006225 HEUQRCWZQXJNEY-QGZVFWFLSA-N 317.454 3.239 0 40 DGAB CCc1nnsc1C(=O)N(CC)Cc1c(F)cccc1F 71184939 GBWZTWLELHTYRU-UHFFFAOYSA-N 311.357 3.041 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CCSc2ccccc21 7988030 SSOOKIDVBLDHDA-HNNXBMFYSA-N 315.442 3.312 0 40 DGAB Cc1ccc(C(=O)NCC(=O)N2CCC[C@@H]2c2ccccc2)cc1 9895164 NUXXRBFSOCHLRS-GOSISDBHSA-N 322.408 3.089 0 40 DGAB C[C@H](NC(=O)c1ccc(F)nc1)c1nc2c(s1)CCCC2 96422380 DTBYHRFJYDTAEP-VIFPVBQESA-N 305.378 3.047 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccsc3)c12 118628742 PGZYLAALHWHMSD-UHFFFAOYSA-N 312.398 3.468 0 40 DGAB Cn1cc(CNC(=O)Nc2cccc(-c3cccs3)c2)cn1 71853985 DUUBMTQEOUASKS-UHFFFAOYSA-N 312.398 3.470 0 40 DGAB CC(C)c1cc(C(=O)N(C)c2ccc(Br)cn2)no1 97031904 CFEGJHLPCVLOOC-UHFFFAOYSA-N 324.178 3.232 0 40 DGAB Cc1cc(NC(=O)CCc2ccnn2C)c2cccnc2c1C 97097025 PKLCYWYSDICJQB-UHFFFAOYSA-N 308.385 3.156 0 40 DGAB CO[C@@H](C(=O)N[C@@H](c1nccs1)C1CC1)c1ccccc1 97059467 AFMNHDFOCNOIJJ-ZIAGYGMSSA-N 302.399 3.098 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)sc1C 72297499 WZYJZGRMMHXDNW-GJZGRUSLSA-N 322.474 3.425 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n1 72235779 SSWAJQOFWDPAJI-HKUYNNGSSA-N 323.440 3.393 0 40 DGAB CCOc1ccc(C(=O)NCc2ccc(OC)cc2OC)cc1 72331656 KXABDWYNUVMEML-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB CCC[C@@H]1CCCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 84740674 DNNPNTPFXIJCKK-WBVHZDCISA-N 308.466 3.110 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)NCCC2=CCCCC2)cc1 95471403 IGBFWCQURYJWGU-UHFFFAOYSA-N 315.413 3.087 0 40 DGAB CCc1oc(C(=O)O[C@@H](c2cnn(C)c2)C(F)(F)F)cc1C 95415218 FNWCMFVNNLKXSX-LBPRGKRZSA-N 316.279 3.344 0 40 DGAB CC(C)N(CC(C)(C)O)C(=O)N[C@H]1CCc2c(F)cccc21 95434908 FTKJGQCTOKQVNU-HNNXBMFYSA-N 308.397 3.004 0 40 DGAB COc1ccc2cc(C(=O)NCc3ccc([C@@H](C)O)cc3)[nH]c2c1 95955097 HJTOIODTOSDUTK-GFCCVEGCSA-N 324.380 3.160 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H](C)Cc2ccc(F)cc2)C1 95969023 FAYLTKUUACFVBH-XTGKAWNFSA-N 311.466 3.426 0 40 DGAB O=C(NCc1ccccc1)N1CCOC[C@H]1c1ccc(F)cc1 74561206 WHEKCUIQSATFCO-KRWDZBQOSA-N 314.360 3.109 0 40 DGAB O=C(CCc1cscn1)NC[C@H]1C[C@]12CCc1ccccc12 79070090 UKYKRWDHCZGZLX-RDTXWAMCSA-N 312.438 3.096 0 40 DGAB C[C@H](O)C[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 79104844 VVMFUTWHXLGZJY-WFASDCNBSA-N 319.351 3.249 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COc2c(N)cccc2F)CC1 67800902 HQGJPUXOGZTQHI-UHFFFAOYSA-N 324.396 3.434 0 40 DGAB O=C(c1ccccc1)N1CCC[C@@H](N2CCc3ccccc3C2)C1 408613713 ZPOVXWTWTKKMPD-HXUWFJFHSA-N 320.436 3.350 0 40 DGAB CCCn1ncc(I)c1CO[C@@H](C)CC 408716339 LSXMMEWBKAAVIN-VIFPVBQESA-N 322.190 3.213 0 40 DGAB COc1ccc2c(c1)O[C@H](c1cccc(OC)c1OC)CC2=O 57761 NNKKJSANGUCFHH-KRWDZBQOSA-N 314.337 3.419 0 40 DGAB biogenic C[C@@]1(c2ccco2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 30343188 UNYGPYKPWSYBEZ-HNNXBMFYSA-N 322.723 3.039 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 78782528 FWQIAGMRTGLKOH-FQEVSTJZSA-N 311.765 3.469 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccccc2Cl)cc1C 72227861 JMLHMHCCTOVAAU-CVEARBPZSA-N 300.789 3.372 0 40 DGAB CC1(C)[C@@H](NCCn2cnnc2C2CC2)C[C@H]1c1ccccc1 123530208 GLARDDHVCWTSKI-IRXDYDNUSA-N 310.445 3.327 0 40 DGAB COCCOc1ccc(N[C@H](C)c2nnc(C)o2)cc1Cl 79029737 MUBBJLOWWBECIG-SECBINFHSA-N 311.769 3.230 0 40 DGAB COc1cccc2cc(C(=O)NCCN(C)c3ccccc3)oc12 73897252 JXQNFWAPIKMWQI-UHFFFAOYSA-N 324.380 3.308 0 40 DGAB CCn1c(SCc2snnc2C)nnc1-c1ccco1 521394546 SNZTYRHGMJLQSS-UHFFFAOYSA-N 307.404 3.010 0 40 DGAB CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)CC1 40488442 OCDIGQHXGRPFDQ-MRXNPFEDSA-N 318.461 3.061 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(Br)c(N)c2)C1 40294695 AQOCWOGSMNTVTJ-UWVGGRQHSA-N 311.223 3.149 0 40 DGAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222733369 MBEDRCQXNOKEBM-GJZGRUSLSA-N 314.458 3.240 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C)[C@@H]1CO 190012969 OCEPCEQMVVIAGM-DYVFJYSZSA-N 320.433 3.155 0 40 DGAB CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 194160300 SSUSCPTYHJIANF-UHFFFAOYSA-N 323.389 3.438 0 40 DGAB CCCCC[C@H](C)NC(=O)COCC(=O)Nc1ccc(C)cc1 199409166 GAIKAJLHTNSYCA-HNNXBMFYSA-N 320.433 3.035 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NCC(C)C 224773131 HPPWDKBEOZUGRK-INIZCTEOSA-N 322.424 3.115 0 40 DGAB S=C(NCc1ccc(-c2ccccc2)o1)Nc1ncccn1 225920020 ODHORXIVDWFTTC-UHFFFAOYSA-N 310.382 3.223 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 222942126 ROXQEFRSHVWGLP-JKSUJKDBSA-N 314.458 3.049 0 40 DGAB CCCc1c(NCc2noc(C)n2)cnn1-c1ccc(F)cc1 192764514 DIFKXRAVVZWNQB-UHFFFAOYSA-N 315.352 3.267 0 40 DGAB COc1ccc(C)cc1C[C@H](Oc1ccccc1C)C(=O)O 225117098 NDPLOOSKOPUCDC-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CCn1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)cn1 96466401 AMAHZGAGCSOKQQ-UHFFFAOYSA-N 304.781 3.383 0 40 DGAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccs1)[C@H]2C 96201197 VGCPGCZZAOOIQF-AWEZNQCLSA-N 318.490 3.362 0 40 DGAB CCn1nc(C)c(N[C@@H](C)c2ccc3c(c2)OCCO3)c1C 97232358 GTLXUUKUVUKDIJ-NSHDSACASA-N 301.390 3.464 0 40 DGAB O=C(c1cccc2cccnc12)N1CCC[C@H](Cc2ccn[nH]2)C1 257271335 MXWHWYCCUCOXCF-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cn1ccc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)n1 257320943 VZJWLMZAWXAILP-ZDUSSCGKSA-N 312.398 3.007 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC(C)(c2nccs2)CC1 257262246 LKSHRUWMFXXMEW-UHFFFAOYSA-N 319.430 3.196 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260901784 NZXPBGFQXNBDBW-HOCLYGCPSA-N 306.425 3.198 0 40 DGAB O=C(C=C1CCCCC1)NCc1ccccc1N1CCOCC1 58282017 KQIKPZUBHWZOPL-UHFFFAOYSA-N 314.429 3.030 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccccn2)nn1C(C)(C)C 55523781 YURYNMJEYSBCGD-MRXNPFEDSA-N 312.417 3.319 0 40 DGAB CCOC(=O)c1cc(Br)cc(O)c1Br 1083805616 AMSHWRXBXXMTGB-UHFFFAOYSA-N 323.968 3.094 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2F)cc1 5126728 PDNSLYQQYSVMDB-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB CC(C)[C@@H](Sc1ccc2ccccc2c1)C(=O)NC(N)=O 5776024 OVCMBWCCEDFRNT-CQSZACIVSA-N 302.399 3.151 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc3ccccc3c2)C1 15615237 UFQJTFQZAMTDCX-QGZVFWFLSA-N 311.381 3.255 0 40 DGAB CCC(=O)N1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C 19498869 XTALPJMFSLEXPA-ZHALLVOQSA-N 300.446 3.265 0 40 DGAB CCCn1ncc(C(=O)N[C@@H](C)c2ccc(OC)c(F)c2)c1C 19525885 OJFFBRKWRVTEBT-NSHDSACASA-N 319.380 3.240 0 40 DGAB Cc1cc(C(=O)N(C)CCN2CCCCC2)nc2ccccc12 19656408 MSMXQCKZYVPMKQ-UHFFFAOYSA-N 311.429 3.101 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848352244 QQTFJZDGBXDFKW-KRWDZBQOSA-N 322.412 3.116 0 40 DGAB O=C(NCc1ccco1)[C@H]1CCCN1Cc1ccccc1Cl 31557447 IKATVIXWWKMTID-MRXNPFEDSA-N 318.804 3.214 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2nc3ccccc3o2)C1 2087140300 ATISWRLTVOJSQJ-CYBMUJFWSA-N 315.417 3.301 0 40 DGAB COc1ccc(-c2cnc(C(=O)NCc3cccs3)o2)cc1 9321563 ADSMBKVRRDVFGB-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cc1c(NC(=O)Oc2ccccc2)c(=O)n(-c2ccccc2)n1C 3176153 FRKMMXZVACUYQF-UHFFFAOYSA-N 323.352 3.095 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)CC1CCCCC1 4851874 XJWXBOMFGWGBEF-UHFFFAOYSA-N 300.358 3.441 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 97374647 ZSEOKAWGUFAAIW-SFYZADRCSA-N 319.348 3.214 0 40 DGAB O=C(NCCOc1ccc(Cl)cc1)c1c[nH]c2ncccc12 40155392 AUNGMSAMLRISEC-UHFFFAOYSA-N 315.760 3.025 0 40 DGAB COC(=O)c1ccc(CNC(=O)C(C)(C)c2ccccc2)cc1 40160416 JBTMYFMQXWFZQI-UHFFFAOYSA-N 311.381 3.067 0 40 DGAB Cc1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)s1 40498608 HEUQQBMSZHBCFH-ZWNOBZJWSA-N 314.410 3.064 0 40 DGAB Cc1ccc2ncn(C[C@H](O)c3ccc(Cl)cc3)c(=O)c2c1 51374223 FSVYMRNZGFIMRY-INIZCTEOSA-N 314.772 3.092 0 40 DGAB CCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11501424 FWEQGBCMYHQMHI-UHFFFAOYSA-N 301.365 3.030 0 40 DGAB CCOC(=O)Nc1ccc(N(C)c2ccc(F)cc2)nc1N 2383270 UDVJYLCFSXFTCW-UHFFFAOYSA-N 304.325 3.139 0 40 DGAB CCCCN(CCCNc1ncnc2[nH]cnc12)c1ccccc1 2719659 MXRGWNQAUXPWNA-UHFFFAOYSA-N 324.432 3.462 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)[C@@H](C)CCc2ccco2)cc1 2808175 MWFYFIPNEZOVNF-AWEZNQCLSA-N 307.415 3.230 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1 6247141 KADVOOMUTMDLMR-UHFFFAOYSA-N 323.440 3.253 0 40 DGAB CCn1c(NC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 10651456 QRPZRZUNYQSLCW-UHFFFAOYSA-N 309.325 3.037 0 40 DGAB NC(=O)c1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1F 102630255 YOWVEMYZSWDMSF-UHFFFAOYSA-N 316.376 3.080 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 108981401 ZJGCPFWGNUVCHP-RWMBFGLXSA-N 320.820 3.139 0 40 DGAB COc1ccc(NC(=O)c2cccc(OCC(C)C)c2)cn1 7106256 QMJBVPQPRNEDEG-UHFFFAOYSA-N 300.358 3.377 0 40 DGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccoc2)c1 33231997 CCMCMQIZLJCXGE-OAHLLOKOSA-N 301.342 3.274 0 40 DGAB CNc1c(NC(=O)NC2CCCCC2)c(=O)oc2ccccc12 101095155 ASZZYSGNISRCFJ-UHFFFAOYSA-N 315.373 3.289 0 40 DGAB O=C(CCc1ccco1)N1CCC[C@H]1c1nc2ccccc2[nH]1 53357639 QQQZSQBIRNGRAR-INIZCTEOSA-N 309.369 3.452 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C[C@@H]3C=CCC3)c2)n1 47317456 KJKOXXKMOBCOAP-CYBMUJFWSA-N 309.369 3.040 0 40 DGAB Cc1cccc([C@@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)c1 104347253 VWCFYXLJXZRZRC-INIZCTEOSA-N 305.337 3.328 0 40 DGAB CC(C)Oc1ccccc1[C@H](C)N[C@H](C(N)=O)c1ccccc1 55151837 DKNVHNJZMPUFQB-KSSFIOAISA-N 312.413 3.351 0 40 DGAB CN(C)C(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 24746597 VVMLQJRHULNIJH-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB CCc1ccc(C(=O)Cn2nc(-c3cccs3)oc2=O)cc1 7250937 YGLXULBKNJYJBL-UHFFFAOYSA-N 314.366 3.010 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1C 28285183 FQSHNRPKNNGNJZ-INIZCTEOSA-N 312.344 3.187 0 40 DGAB Cc1ccc([C@H](C)N(C)C(=O)CNC(=O)c2ccsc2)s1 55313574 QAYANTMHASOJOD-NSHDSACASA-N 322.455 3.067 0 40 DGAB CC[C@H](C(=O)Nc1ccc(O)c(C(=O)OC)c1)c1ccccc1 2073518 BYDFRLUINAWIQL-AWEZNQCLSA-N 313.353 3.311 0 40 DGAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)C1CCCC1 58210304 AWGFYXFMWOTZDZ-ZDUSSCGKSA-N 301.308 3.045 0 40 DGAB COc1cccc(CN(C)CC(=O)N[C@H](C)c2cccs2)c1 12886909 WYCIPFVHCRYPHJ-CYBMUJFWSA-N 318.442 3.066 0 40 DGAB Cc1ccc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)cc1 12981216 WVGQCDIEWJFZTC-UHFFFAOYSA-N 312.369 3.430 0 40 DGAB COc1ccc(Cl)cc1CC(=O)NCc1ccccc1F 7960926 DZZGWDSEUWWFML-UHFFFAOYSA-N 307.752 3.347 0 40 DGAB Cc1ccc2nc(/C(Cl)=C/c3ccc(O)cc3)cc(=O)n2c1 7908831 BBYKFUBIXVHHOJ-ZSOIEALJSA-N 312.756 3.445 0 40 DGAB Cc1ccc(N2CCN(CC(=O)Nc3ccccc3)C[C@@H]2C)cc1 13737038 YSHLNZOZSVLZKL-KRWDZBQOSA-N 323.440 3.144 0 40 DGAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccncc1 5227084 ZHAVPCQBKPOQEB-JTQLQIEISA-N 310.275 3.471 0 40 DGAB CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 65565543 IYJGHTYTDSGDDZ-HUUCEWRRSA-N 301.365 3.420 0 40 DGAB COc1ccc(N(C(=O)c2cc(C)no2)[C@H](C)C2CC2)cc1 65613661 FUDSJMLNJNXONN-GFCCVEGCSA-N 300.358 3.437 0 40 DGAB c1cc2c(cc1C1=NN=C(NC3CCCCC3)SC1)OCO2 14201515 RUULWAYZCJJDMY-UHFFFAOYSA-N 317.414 3.145 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-n3cnnc3)c2)c1 69324321 DQKZQZIINWWDMH-ROUUACIJSA-N 318.380 3.318 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)N[C@H](C)c2nc(C)cs2)C1(C)C 110608479 SKYZPINMACMSFN-IJLUTSLNSA-N 311.451 3.015 0 40 DGAB CSc1nnc(Cn2ncnc2-c2ccccc2Cl)s1 69659613 JABPARRBUPGJON-UHFFFAOYSA-N 323.834 3.220 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Nc2cc(C)ccc2OC)cc1 8705515 PBKCLMAPMNBTSX-CYBMUJFWSA-N 314.385 3.451 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c1 8714841 VSSYWDGSENBHFK-TZMCWYRMSA-N 311.447 3.115 0 40 DGAB Cc1ccc(C[C@H]2CCCN([C@H](C(N)=O)c3ccccc3)C2)cc1 84148785 FXQKLJFGBGTUDV-QUCCMNQESA-N 322.452 3.476 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccncc1 8877216 XUMCQZVSFULVIF-UHFFFAOYSA-N 309.369 3.006 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCOc2c(F)cccc21 97046940 RTXSCWTVUJGFCO-OAHLLOKOSA-N 318.348 3.003 0 40 DGAB COc1cccc(CN2CCN(C[C@@H]3CC=CCC3)CC2)c1 19359702 IUBBRIYVAISNSG-QGZVFWFLSA-N 300.446 3.169 0 40 DGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OC1CCC1 72287776 IMLNEZDEZTUASR-UHFFFAOYSA-N 324.336 3.305 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CNC(=O)c1ccc2ccccc2c1 9113791 OHAXCNWPJOBGBQ-RDTXWAMCSA-N 324.424 3.265 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@@]2(C)CCCO)ccc1N(C)C 96004108 SWZKXKZRNWFEEX-SFHVURJKSA-N 319.449 3.220 0 40 DGAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc(C)cs1 71856462 OUGBVFIPQMNGCZ-GFCCVEGCSA-N 318.398 3.104 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Sc2nc3ccccc3o2)no1 9690333 WXZVHZZREBFEGR-VIFPVBQESA-N 303.343 3.244 0 40 DGAB Cc1ccc(OCc2cn(-c3ccc(Cl)cc3)nn2)cn1 79104340 FSSKNKULTYHASN-UHFFFAOYSA-N 300.749 3.203 0 40 DGAB O=C(Nc1nc2ncccc2[nH]1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 79112703 LICWBOZRQWUUJK-VXGBXAGGSA-N 312.760 3.354 0 40 DGAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)[C@H]1CC=CCC1 84519343 JFZCBCLPZJQQJH-DLBZAZTESA-N 313.397 3.250 0 40 DGAB CCCc1cc(C(=O)N[C@H]2CC[C@H](C(=O)OCC)C2)sc1C 95418759 UORJDTYPXLDRKZ-KBPBESRZSA-N 323.458 3.471 0 40 DGAB COC(=O)C1=C(C)O[C@@H](CN[C@@H](C)c2ccc(Cl)cc2)C1 95446905 XSOXYMCLBXLXSF-IINYFYTJSA-N 309.793 3.227 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@H]1C[C@H]1c1cccc(F)c1 95947927 STRUGYIMLZEVCD-MWDXBVQZSA-N 314.360 3.463 0 40 DGAB Cn1c(C(=O)Nc2ccccc2Nc2ccccc2)cccc1=O 95992140 UFSFVJSLRKLHSD-UHFFFAOYSA-N 319.364 3.381 0 40 DGAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)c2ccc(C(N)=O)cc2)C1 75143338 CXQBDXZGJJAXMR-PBHICJAKSA-N 322.408 3.112 0 40 DGAB CC(C)n1cc(NC(=O)NCCc2cc3ccccc3[nH]2)cn1 89894056 QHMOJNNTKAXGRA-UHFFFAOYSA-N 311.389 3.310 0 40 DGAB CCOc1cccc([C@H](C)NC(=O)c2n[nH]c3ccccc23)c1 60185416 UAVSRMRFGKYTLU-LBPRGKRZSA-N 309.369 3.453 0 40 DGAB COc1ccccc1OCc1ccc(C(=O)OCC(C)=O)cc1 33659363 HUQZIUNUWMUTQX-UHFFFAOYSA-N 314.337 3.020 0 40 DGAB COC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@H]1c1ccccc1 3846699 NSBRCANCSCDLCJ-KRWDZBQOSA-N 321.376 3.260 0 40 DGAB biogenic CSc1cccc(C(=O)N2CCC[C@@H](c3cnn(C)c3)C2)c1 649444864 XAIBGJXQVTXZJT-CQSZACIVSA-N 315.442 3.162 0 40 DGAB Cc1ncccc1O[C@@H]1CC[C@@H]2CN(Cc3cscn3)C[C@@H]21 213207502 KBLFIVJVWWKJHI-UKPHBRMFSA-N 315.442 3.136 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@H](C)c1ccco1 79043592 IXXVHGCRQPTTBA-QWHCGFSZSA-N 315.373 3.009 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(C(C)(C)C)no2)cc1F 31214599 KBTZAGVPYYCGHN-UHFFFAOYSA-N 305.353 3.386 0 40 DGAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc2ncccc12 72406323 KSFGJYOCBDVKBG-KRWDZBQOSA-N 317.348 3.048 0 40 DGAB CC(C)n1cc(CN2CCc3n[nH]c(-c4ccccc4)c3C2)cn1 42442390 RRRRCCPFQRNYRX-UHFFFAOYSA-N 321.428 3.412 0 40 DGAB Nc1cc(Nc2ccccc2C(=O)O)nc(-c2ccccc2F)n1 49467899 PMSRSCQUPMAQDW-UHFFFAOYSA-N 324.315 3.307 0 40 DGAB COc1ccc2cc(-c3noc(C4CCNCC4)n3)ccc2c1 199783734 BQIVZIHBMZJBMK-UHFFFAOYSA-N 309.369 3.365 0 40 DGAB CCn1cc(NC(=O)/C=C/c2cccc(Cl)c2)ccc1=O 47181598 SSUXVHVOMFIXMO-SOFGYWHQSA-N 302.761 3.174 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)C 225495515 UQRRQHQTLFGAMW-OAHLLOKOSA-N 304.434 3.037 0 40 DGAB O=C(Cc1ccc(Cl)cc1F)NCCOCc1ccccc1 225144535 IKIZJPLGJRAPGS-UHFFFAOYSA-N 321.779 3.355 0 40 DGAB Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)c(C)c1 225544917 BPFIZZGFJYUBLK-UHFFFAOYSA-N 322.452 3.190 0 40 DGAB COc1ccc(-c2nnsc2C(=O)OC2CCCC2)cc1 223836248 NHWBCPMUBRBDDP-UHFFFAOYSA-N 304.371 3.313 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1C 224633130 NAWFUOTUVZWUNL-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB COc1cccc2c1CCCCN2C(=O)c1scnc1C 96484072 MUOQITDIHMGVSY-UHFFFAOYSA-N 302.399 3.443 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](C(N)=S)C[C@@H]1c1ccccc1 95748819 YPPICKOBKKEXLU-CHWSQXEVSA-N 306.431 3.271 0 40 DGAB CC(C)(C)c1cc(NC(=O)N[C@@H](CCO)c2cccs2)no1 96420189 QBFBFGOVJMGSOR-JTQLQIEISA-N 323.418 3.279 0 40 DGAB c1ccc([C@H](N[C@@H]2CCc3[nH]ncc3C2)c2ccccn2)cc1 97233933 YSTJZFSTTLXXGI-APWZRJJASA-N 304.397 3.041 0 40 DGAB Cc1ccc(S[C@@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nn1 585118567 UMZLCLUWFPDEDG-DZGCQCFKSA-N 307.463 3.303 0 40 DGAB CCn1c(CNC(=O)CCc2ccccc2O)nc2ccccc21 53638710 IGLKVQWTBVHTHQ-UHFFFAOYSA-N 323.396 3.011 0 40 DGAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1ccccc1 58193226 RGQKLYKPHXWULL-OAHLLOKOSA-N 314.454 3.390 0 40 DGAB COCCOc1cc(NC(=O)N[C@@H]2CCC[C@@H]2C)ccc1OC 69591318 JRGVQYQGYRCRBJ-GXTWGEPZSA-N 322.405 3.031 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 69872742 VAXDVDBXWLNNBI-SJLPKXTDSA-N 309.413 3.085 0 40 DGAB CC(C)(C)[C@@H](CC1CCCCC1)NC(=O)c1ccc(O)nn1 71908956 KYROIHGHCKOLML-CQSZACIVSA-N 305.422 3.297 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)no1 72299198 AQLLJCXRORWUMQ-BXUZGUMPSA-N 317.389 3.309 0 40 DGAB C[C@H](CNC(=O)Nc1ccccc1Cl)CC1(C)OCCO1 96448245 CKKGJVHMARIFDS-NSHDSACASA-N 312.797 3.251 0 40 DGAB CC(C)C(=O)N[C@@H](N1CCCCCC1)C(Cl)(Cl)Cl 19315823 FSWTWAIXIOQSQN-NSHDSACASA-N 315.672 3.331 0 40 DGAB CO[C@@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccco1 206860772 WGHCZPHKYVXECW-ZDUSSCGKSA-N 313.275 3.416 0 40 DGAB O=C(NCCCOCc1ccco1)c1cc(Cl)ccc1F 40422235 DZLOGPKIMCMTBF-UHFFFAOYSA-N 311.740 3.409 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)on1 22768549 XZPJQVPIWBIEOB-LBPRGKRZSA-N 312.325 3.018 0 40 DGAB CC(C)(C)OC(=O)N1CCN(C(=S)Cc2ccccc2)CC1 1775968360 CRDGLRAFCDVCQN-UHFFFAOYSA-N 320.458 3.109 0 40 DGAB C[C@H]1C[C@@H]1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19462795 PQNMHZOAYOOFFR-WFASDCNBSA-N 309.413 3.179 0 40 DGAB O=c1oc2c(O)cccc2cc1-c1nc(-c2ccccc2)no1 6816712 RFGKEZHSUVKNMB-UHFFFAOYSA-N 306.277 3.216 0 40 DGAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)cc1 257296 CXSRQLAABSZETK-FQEVSTJZSA-N 323.392 3.247 0 40 DGAB C[C@H](c1ccccc1)N1C[C@H](C(=O)NC2CCCCC2)CC1=O 219756 SANZUEVXRMVMNJ-GDBMZVCRSA-N 314.429 3.045 0 40 DGAB C[C@@H](O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1 7541043 BUYLLSAXDSXYPX-CQSZACIVSA-N 302.418 3.041 0 40 DGAB Cc1cc(C)c(C(=O)[C@@H](C)Sc2nnc(N)s2)cc1C 7535618 GXIVBRRGFBWKRZ-SNVBAGLBSA-N 307.444 3.409 0 40 DGAB CC(=O)c1sc(NC(=O)COc2ccc(Cl)cc2)nc1C 567880 DFARYAHRKOSCIV-UHFFFAOYSA-N 324.789 3.325 0 40 DGAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cccnc1 69557802 LEZJCWRPDQBAKW-UHFFFAOYSA-N 316.788 3.171 0 40 DGAB Cc1cccc(C(=O)NCc2ccnc(N3CCCC3)c2)c1C 29554061 SLDPYVSYNKAXFK-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB COc1ccc(CC(=O)N[C@H]2CCCC[C@H]2C(F)(F)F)cc1 29607509 AYCIWEZHMKEEEM-KGLIPLIRSA-N 315.335 3.475 0 40 DGAB Cc1ccnc(-n2c(C)c(C)c3c(=N)n(CC(C)C)cnc32)c1 101559028 DIBVVSQEJWYBMD-UHFFFAOYSA-N 309.417 3.283 0 40 DGAB C[n+]1cc(C(=O)N2CCCC2)c2cc1CCCCCCCC2 387536 HUNWFDZZUQXMNO-UHFFFAOYSA-N 301.454 3.186 0 40 DGAB Cc1ccc(NC(=O)COc2cccc3c2CCC[C@@H]3O)cc1 32691439 IOFFIYSGXKGEEA-KRWDZBQOSA-N 311.381 3.382 0 40 DGAB C[C@@H](Nc1ncnc2c1cnn2C)c1cccc(OC(F)F)c1 52218166 WNHIDLPAWSNOQJ-SECBINFHSA-N 319.315 3.138 0 40 DGAB CC(C)(C)NC(=O)COC(=O)c1cc2c(s1)CCCCC2 3551238 KGLDYJKXOZKRGS-UHFFFAOYSA-N 309.431 3.089 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCCc2cccc(Cl)c21 102152166 OLXWLFXBTVAMRK-UHFFFAOYSA-N 304.777 3.467 0 40 DGAB COc1ccc(CNCc2cc3c(C)ccc(C)c3[nH]c2=O)cc1 4160543 HBAZNCNFRQBRTR-UHFFFAOYSA-N 322.408 3.443 0 40 DGAB COc1c(Cl)cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1Cl 32747453 PZFPMDHZXHBRMO-RKDXNWHRSA-N 318.200 3.251 0 40 DGAB O=C(Cc1ccc(-n2cccn2)cc1)NCCC1=CCCCC1 32930896 GYVGXXWAQPMRFH-UHFFFAOYSA-N 309.413 3.422 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H]2CCCC[C@@H]21 107787483 IBXNSFGFNKQNNW-QWRGUYRKSA-N 306.214 3.309 0 40 DGAB Cc1ccccc1NC(=O)Cn1c(C)cc(=O)c2ccccc21 548473 XXCWCMFFLAAPTE-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1ccc(OC)c(CNc2ncnc3ccsc23)c1 24212308 IVIHOPRVKIGVLC-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB CCc1ccc(O[C@@H](C)C(=O)NCCc2csc(C)n2)cc1 28251565 OSJPQODYAYWVKB-LBPRGKRZSA-N 318.442 3.140 0 40 DGAB C[C@H]1CCC[C@@H](N2CCN(C(=O)c3ccccc3F)CC2)C1 783014 OSVKRSHERBDJFS-LSDHHAIUSA-N 304.409 3.162 0 40 DGAB Cn1cc(CCCSc2nc3cc(F)c(F)cc3[nH]2)cn1 57503082 QQYDCGWSPLTDRS-UHFFFAOYSA-N 308.357 3.300 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1ccoc1)c1cccc(OC)c1 23076422 ZTHADPXTQIYDML-QGZVFWFLSA-N 316.401 3.101 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2ccc(CC)o2)c1 24928958 VEROGVCXZKBPLC-UHFFFAOYSA-N 317.341 3.036 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1cc(F)cc(F)c1 16129351 VMQXZMMDYXXHSG-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB O=C(COc1ccccc1O)Nc1cccc(Br)c1 1515455 OOEYZIOVOKEXBT-UHFFFAOYSA-N 322.158 3.172 0 40 DGAB COc1ccc(CNC(=O)NCCC2=CCCCC2)c(OC)c1 56454809 YUYPOVWDUUYDFP-UHFFFAOYSA-N 318.417 3.394 0 40 DGAB Cc1ccc(OC2CCN(C(=O)Nc3cn[nH]c3)CC2)cc1C 57029715 XBMKZAVYJAJBPG-UHFFFAOYSA-N 314.389 3.102 0 40 DGAB Cc1cccc(NC(=O)CN2CCc3sccc3C2)c1C 10340960 MQVPEEINPIZGHP-UHFFFAOYSA-N 300.427 3.362 0 40 DGAB CCOc1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 20107879 HQLUOKHKNOLHDU-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB O=C(NCc1ccccc1F)NCc1ccccc1OC(F)F 10036824 AYJDRDQUPRKINE-UHFFFAOYSA-N 324.302 3.427 0 40 DGAB CC(C)[C@H](C(=O)Nc1ccc(F)cc1Cl)N1CCCC1=O 58151856 CNSKNWZBZLFKQV-CQSZACIVSA-N 312.772 3.065 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 44888984 ITPNSMADMGBOGX-ZBFHGGJFSA-N 313.397 3.478 0 40 DGAB CCc1nnc(CN(Cc2ccco2)Cc2cccs2)o1 44892733 KBPFDGCRYPZERH-UHFFFAOYSA-N 303.387 3.489 0 40 DGAB CC(C)N1CC[C@@H](CNC(=O)[C@@H](C)SCc2ccccc2)C1 58201861 DNZVXGONVCXJPT-WBVHZDCISA-N 320.502 3.155 0 40 DGAB Cc1cnc(C(=O)NCc2nc(-c3ccccc3)c(C)s2)cn1 58329170 CIOYSKXEBMPUOG-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB Cc1nc(CNC(=O)/C=C/c2ccccc2OC(F)F)cs1 58493063 QVMLWZMFVXEBIY-VOTSOKGWSA-N 324.352 3.383 0 40 DGAB CC[C@H](NC(=O)NCc1ccncc1)c1cc(F)ccc1F 76020155 WHTCZRLSSARNSW-HNNXBMFYSA-N 305.328 3.310 0 40 DGAB CC1(C)[C@@H](OC(=O)CCC(=O)c2ccccc2)[C@H]2CCO[C@H]21 76090493 UXGMBKDINCDIER-XKQJLSEDSA-N 302.370 3.006 0 40 DGAB COc1ncccc1NC(=O)N(C)Cc1ccc(Cl)s1 48236000 UGFBMUHVJAPAOK-UHFFFAOYSA-N 311.794 3.469 0 40 DGAB CCC[C@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccccc1 48229259 PCXWYGJZBDTRNY-BBRMVZONSA-N 314.385 3.056 0 40 DGAB C[C@H](N[C@@H](C)c1cnccn1)c1cnn(Cc2ccccc2)c1 90853477 SJLGZPLCPCZNJC-GJZGRUSLSA-N 307.401 3.133 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 8715160 JUJPKEQUCBXTER-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB CC(C)CC(=O)N1CCC(Nc2cnc3ccccc3n2)CC1 68873300 LWVYCDHOBOHEAP-UHFFFAOYSA-N 312.417 3.079 0 40 DGAB CN(C(=O)C[S@](=O)Cc1ccc(Cl)cc1)c1ccccc1 5208507 FHESFVLHLOHSSZ-NRFANRHFSA-N 321.829 3.252 0 40 DGAB CCOc1ccc2ccccc2c1/C=C1/NC(=O)N(CC)C1=O 14010264 NSCYBSZUWAKLIE-RVDMUPIBSA-N 310.353 3.151 0 40 DGAB O=C(Cn1nccc1-c1ccncc1)Nc1ccc(Cl)cc1 65536400 ICWUQMRJBIMHOI-UHFFFAOYSA-N 312.760 3.237 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14117641 XODDFPKWXOMQQH-MWLCHTKSSA-N 309.291 3.486 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3F)C2)c1 4557511 NRWJTBVFWKMANX-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3ccccn3)c2C2CC2)cc1 69437501 ZQYCPORNNXZNMS-UHFFFAOYSA-N 319.368 3.100 0 40 DGAB COc1ccc(CCNC(=O)NCC2(c3ccccc3)CC2)cc1 22427391 BQAIVGOEBYUPJN-UHFFFAOYSA-N 324.424 3.269 0 40 DGAB CC(=O)NC1CCN([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 69452569 INGZFPIKMMUHJY-NSHDSACASA-N 314.351 3.367 0 40 DGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C=C(C1CC1)C1CC1 77583533 YJUSIOXTKWOHCR-PVAVHDDUSA-N 317.429 3.066 0 40 DGAB Brc1ccc(-c2nccn2C[C@H]2CCCO2)cc1 82739459 DVEFWFSCLPZVEN-CYBMUJFWSA-N 307.191 3.492 0 40 DGAB FC(F)(F)c1ccc([C@H]2CN(Cc3cc[nH]n3)CCO2)cc1 97084933 PPLPJEOZCRLJKK-CQSZACIVSA-N 311.307 3.002 0 40 DGAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@H](O)c1cccnc1 72275237 KPARPHVZDAROPD-GOSISDBHSA-N 319.364 3.497 0 40 DGAB CC(=O)c1cc(C(=O)O[C@H](C)c2nc3ccccc3o2)n(C)c1 96005846 OUODYVDLCHAYDO-LLVKDONJSA-N 312.325 3.287 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)no1 72232170 YFKBEIPESHYBFA-UONOGXRCSA-N 303.406 3.255 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCCC[C@H]1c1nc(C)cs1 72273922 KHLMNMFHHKYVRY-ZDUSSCGKSA-N 318.446 3.344 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1F 97114684 HKKZLMGUYQMPAW-IUODEOHRSA-N 308.397 3.140 0 40 DGAB C[C@@H](NC(=O)CSc1ncnc2sccc12)c1ccco1 9456601 KZCMXCOJJPTCLB-SECBINFHSA-N 319.411 3.254 0 40 DGAB CCC(CC)[C@H](CNCc1sccc1C)N1CCOCC1 97287634 GHLRNZQEVBHVRF-INIZCTEOSA-N 310.507 3.283 0 40 DGAB Cc1cc(C(=O)OCn2nnc3ccccc32)c2ccccc2n1 9667815 GEXCSKKLZJZJJC-UHFFFAOYSA-N 318.336 3.102 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 84637105 GDFRPGJCGWULAS-KSSFIOAISA-N 320.392 3.477 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)N2CCCC[C@H]2C)cc1 72967708 VOOZEPSEVKHVDR-CQSZACIVSA-N 303.402 3.449 0 40 DGAB C[C@]1(F)CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 95452181 XLEDOFAUDOZECS-INIZCTEOSA-N 304.390 3.313 0 40 DGAB CC(=O)c1csc(C(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)c1 95417793 XEFVWLDRCDQEGP-XHDPSFHLSA-N 317.410 3.193 0 40 DGAB c1ccc2c(c1)CCSC[C@H]2NCCCOC[C@H]1CCOC1 95423025 LEPITJVDHUTJRA-CRAIPNDOSA-N 321.486 3.050 0 40 DGAB Clc1ccc(CCCN2CCC(n3cncn3)CC2)cc1 75145338 ATVQNYFUYMSHGB-UHFFFAOYSA-N 304.825 3.201 0 40 DGAB O=C([C@H]1CCOc2ccccc21)N1CCOc2cccc(F)c21 89857784 OTTXOQSTFCJJEA-ZDUSSCGKSA-N 313.328 3.117 0 40 DGAB Cc1ccc2c(C)c(CCC(=O)NC(C)(C)C)c(=O)oc2c1 32836462 ALSIEONHNQAYNJ-UHFFFAOYSA-N 301.386 3.257 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1ccccc1C(F)(F)F 74752814 IFLJUOPAAIRZHD-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB O=C(COc1ccc(C2SCCS2)cc1)N1CCCC1 127858563 FJKROZLLBQTDHL-UHFFFAOYSA-N 309.456 3.166 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCC(C)CC1 216452886 XPLIOTPZIKCVPR-KRWDZBQOSA-N 318.461 3.001 0 40 DGAB CC(C)c1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642205 WIMZIFPKZWLCTP-UHFFFAOYSA-N 307.397 3.472 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](Cc2cncc3ccccc23)C1 72368237 CHGHFDVJAOQKKA-OAHLLOKOSA-N 317.392 3.335 0 40 DGAB Oc1nc(-c2ccncc2)nc2c1CN(CC1CCCCC1)CC2 72339803 ZFUJCKQMURNBJI-UHFFFAOYSA-N 324.428 3.183 0 40 DGAB Cc1nc(CCNC(=O)C(C)(C)c2ccccc2F)cs1 79335626 UNXFAJJANPRPOO-UHFFFAOYSA-N 306.406 3.227 0 40 DGAB C[C@@H](CN(C)[C@@H](C(=O)O)c1ccc(F)cc1)c1nccs1 567595876 RAIOMJKQAIKTKV-GXFFZTMASA-N 308.378 3.143 0 40 DGAB CC(C)CCNC(=S)Nc1ccc(Br)cn1 225194549 TVEUYXULBCMPDP-UHFFFAOYSA-N 302.241 3.177 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC 225456051 QBKDDXPEOFJKSP-HZPDHXFCSA-N 318.461 3.161 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1sccc1C 222768568 SFIIYTIJKPLXJI-STQMWFEESA-N 303.456 3.444 0 40 DGAB C[C@H]1Cc2ccccc2N1CCCNC(=O)NC1CCCCC1 225757912 HKOYBXHKEVISQW-HNNXBMFYSA-N 315.461 3.460 0 40 DGAB Cc1nn2c(-c3cc(Br)ccc3F)nnc2s1 40287681 CIRZGQZGJOXIEC-UHFFFAOYSA-N 313.155 3.063 0 40 DGAB COc1cccnc1NC(=S)NCc1ccc(Cl)cc1 225305934 GHCZTLXWCIWSJG-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB c1csc(-c2nnc(SC3CCC4(CC3)OCCO4)[nH]2)c1 195568204 KSDLLGKQULVQCO-UHFFFAOYSA-N 323.443 3.311 0 40 DGAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)s3)O2)n1 97953570 IZUWLZNLHGCSPZ-KFWWJZLASA-N 319.430 3.243 0 40 DGAB CC(C)c1ccc(CCCNC(=O)N2CC(C(C)(C)O)C2)cc1 331403673 HWTDISAUORPFTM-UHFFFAOYSA-N 318.461 3.155 0 40 DGAB CCS(=O)(=O)[C@@H](C)[C@H](O)c1ccc(-c2ccccc2)cc1 96519384 SRIKUSLQBMGGCO-GUYCJALGSA-N 304.411 3.210 0 40 DGAB O=C(c1ccc(CN[C@@H]2CCCSC2)cc1)N1CCCCC1 97370919 ORQHSSCKOOMKLM-QGZVFWFLSA-N 318.486 3.298 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)NCc2ncccc2C)C1 96452344 RBJUZOOJPFERCT-UONOGXRCSA-N 307.463 3.254 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N1CCC2(CCCC2)CC1 96417050 YJNQBSRURXTGPD-UHFFFAOYSA-N 317.433 3.453 0 40 DGAB CC[C@H](C)Oc1cc(-c2nc(-c3cccc(O)n3)no2)ccn1 585120572 WKJJAMZHPYEBQY-JTQLQIEISA-N 312.329 3.077 0 40 DGAB Fc1ccc(F)c(CNCc2ccn(CC(F)(F)F)n2)c1 256051400 JAKHCAYJSSOXHU-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB O=C(c1cccnc1)N1C[C@H]2CC[C@H](Cc3ccccc3)[C@H]2C1 257223644 DYIAQQJJEMGPPQ-BHIYHBOVSA-N 306.409 3.423 0 40 DGAB CCN(CC)S(=O)(=O)c1cccnc1Oc1ccc(F)cc1 585141911 IGSGJIHJGAQISG-UHFFFAOYSA-N 324.377 3.044 0 40 DGAB CC(=O)N(C)Cc1cccc(NC(=O)Nc2cccc(F)c2)c1 65587887 IJSSMUMLXJTJBU-UHFFFAOYSA-N 315.348 3.448 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1cccc(C(=O)O)c1 5724991 HRSSTJRMVNXOLV-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CCc1nn(Cc2ccccn2)c(=O)c2cc3sc(C)cc3n12 12115395 KRFTXJBHZVMLIC-UHFFFAOYSA-N 324.409 3.025 0 40 DGAB Cc1cccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)c1 13632020 IKFZAUXWFOVOEK-CSKARUKUSA-N 323.392 3.486 0 40 DGAB Cc1cc(C)c2c(N[C@H]3CCN(Cc4ccccc4)C3)n[nH]c2n1 19657292 CVWGGTHKBKDURY-INIZCTEOSA-N 321.428 3.261 0 40 DGAB O=C(CCC1CCCC1)NC[C@H]1CC(=O)N(c2ccccc2)C1 8924437 HVSCLTJYLNOOGP-MRXNPFEDSA-N 314.429 3.126 0 40 DGAB Cc1ccccc1CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 31177025 VCSNSMPBPPHPGC-SFHVURJKSA-N 313.372 3.277 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(C(=O)NC3CCCC3)C2)ccn1 1776000665 DWQPRNXNGRULTE-OAHLLOKOSA-N 317.433 3.133 0 40 DGAB Cc1cc(COc2ccc(C(=O)O)cc2Br)on1 39947529 WFJRSMVFXHOEJP-UHFFFAOYSA-N 312.119 3.023 0 40 DGAB in-vitro Cc1cc(CC(=O)N2CC[C@@H](c3cccc(F)c3)C2)ccc1O 245015137 LNNPHWRASUOPFI-MRXNPFEDSA-N 313.372 3.398 0 40 DGAB CN(CCO)c1nc(-c2ccc(Cl)cc2)c2ccccc2n1 11692706 BHSDCKNMWNTJKM-UHFFFAOYSA-N 313.788 3.379 0 40 DGAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@H](C)C2 35548 HRKPEWJVLFKLAF-VIFPVBQESA-N 307.415 3.398 0 40 DGAB CN(C)c1ncccc1C(=O)Nc1nc(C(C)(C)C)cs1 31689631 MTWZPHJVGPPDFL-UHFFFAOYSA-N 304.419 3.154 0 40 DGAB CCOc1ccc(NC(=O)[C@@]23CC[C@H](C2)C(C)(C)C3=O)cc1 100868120 AGVMVKZCSSFSJN-XIKOKIGWSA-N 301.386 3.419 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1ccc2c(c1)OCCO2 296434 HGDVUUZBRCWNCU-UHFFFAOYSA-N 319.744 3.129 0 40 DGAB C[C@H](NC(=O)Nc1ccccn1)c1ccc2c(c1)OCCCO2 46070254 ROVXPWGESCMBRC-LBPRGKRZSA-N 313.357 3.126 0 40 DGAB CCN(C(=S)NC(=O)c1ccccc1OC)c1ccccc1 1003752 QRQLGVMCWIWYJC-UHFFFAOYSA-N 314.410 3.236 0 40 DGAB Cc1sc2ncn(CCO)c(=O)c2c1-c1cccc(Cl)c1 32537459 PLBADNBUDICNQC-UHFFFAOYSA-N 320.801 3.079 0 40 DGAB c1ccc2c(NC[C@H]3CCCO3)nc(N3CCCCC3)nc2c1 383025 ZPWNVDMZEZGFML-CQSZACIVSA-N 312.417 3.211 0 40 DGAB Cc1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)cc1 308999 KWBGFCNOPLTHSV-UHFFFAOYSA-N 301.367 3.455 0 40 DGAB O=C(COC(=O)Cc1ccccc1F)Nc1ccccc1Cl 3425329 NAQMLOUDBAGUHC-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB CN(Cc1csc2ccccc12)c1cn[nH]c(=O)c1Cl 52241247 QICFCQRMZRAHSX-UHFFFAOYSA-N 305.790 3.274 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2ccccc2Cl)cc1 6295985 RQAJDWUHCFQMCW-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB C[C@H]1CC(=O)c2c(OCC(=O)NC3CCCC3)ccc(Cl)c21 32815518 NTWIAFLVPSBBAA-JTQLQIEISA-N 321.804 3.468 0 40 DGAB C[C@@H]1CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602502 QILXYPLVZBOSOC-ANRSDYALSA-N 316.311 3.474 0 40 DGAB COc1ccc([C@@H]2C3=C(O)C[C@@H](C)CC3=Nc3ncnn32)cc1 102672971 XZFMTWLOJRDCAB-MGPLVRAMSA-N 310.357 3.204 0 40 DGAB Cc1cc(C)n(C(=O)CCCCCC(=O)n2nc(C)cc2C)n1 2711772 DHOLBONKEUZRDH-UHFFFAOYSA-N 316.405 3.244 0 40 DGAB Cc1ccc(CNC(=O)Cn2cc(C=O)c3ccccc32)cc1 51318944 WADRJGDTSHXAOT-UHFFFAOYSA-N 306.365 3.079 0 40 DGAB O=C(CSCc1cccnc1)N1CCC[C@H]2CCCC[C@@H]21 41774939 SPZASPUAGKAEGY-CVEARBPZSA-N 304.459 3.496 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCN([C@@H](C)c2ccccc2)C1 54223212 UKMKVNKIMRWVEO-ZFWWWQNUSA-N 315.442 3.017 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1ccc2oc(=O)ccc2c1 54252529 CZHFCGCSLKZQHA-UHFFFAOYSA-N 320.304 3.115 0 40 DGAB COc1cccc(Oc2c(O)c3ccc(OC)cc3oc2=O)c1 104187386 JLVZHJPXLJUEPR-UHFFFAOYSA-N 314.293 3.308 0 40 DGAB Cn1c(C(=O)NCCc2nc3ccccc3[nH]2)cc2ccccc21 55267222 ZITULIKGKCWNMA-UHFFFAOYSA-N 318.380 3.027 0 40 DGAB CCN(C(=O)c1ccc[nH]1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106630839 CTGOYQZDOVTMIC-NVXWUHKLSA-N 311.429 3.312 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)N(C)CCc2ccccn2)cc1 78878168 GFYMMSWNAJIKPU-UHFFFAOYSA-N 321.380 3.360 0 40 DGAB COc1ccccc1CN(C)C(=O)c1cncn1-c1ccccc1 57584958 CHRSXDLEZHNDQD-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB Cc1noc(C)c1CCNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 78987911 RBLUFUHBBUTTQH-OLZOCXBDSA-N 315.417 3.325 0 40 DGAB CCOc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2OC)cn1 58157619 IEBLPKUKYHSJPT-ZDUSSCGKSA-N 314.385 3.288 0 40 DGAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OC[C@H]2CCCO2)c1 48189123 YAZRYHAHSZTMDX-GXTWGEPZSA-N 307.390 3.238 0 40 DGAB CCN(CC)CCOc1cc(NC(=O)C(C)(C)C)ccc1OC 58312944 VGZYFUMWLBSETC-UHFFFAOYSA-N 322.449 3.400 0 40 DGAB O=C(Nc1ccc(F)cc1)c1ccc(CN2CCCC2=O)cc1 12783121 LQNCEMFHXWXJQC-UHFFFAOYSA-N 312.344 3.200 0 40 DGAB O=C(Cc1ccccc1)NCCC(=O)Nc1ccc(Cl)cc1 12784272 VDAPYJGICUHWLH-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB CC1CCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)CC1 28576483 SGQDFCCHVQDYGK-UHFFFAOYSA-N 317.820 3.457 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(F)cc2)c1C 3587324 GCPJHQAIVIDYPE-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB COc1ccccc1-c1nnc2n1N=C1CCCC[C@@H]1S2 8342543 MUCQFAGZFIZKQJ-ZDUSSCGKSA-N 300.387 3.206 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cccc(Cl)c1 6335502 RAMNDRFOIXXBHK-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)cc1=O 65497120 PITVOOUIJCWEGB-QGZVFWFLSA-N 310.397 3.143 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC[C@@H](C)CC1 65534481 NYVRSECLAHQJPD-HIFRSBDPSA-N 312.413 3.150 0 40 DGAB CC[C@H](NCc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 14186013 PXDLIQKUTGHJHM-ZDUSSCGKSA-N 307.781 3.143 0 40 DGAB c1c(-c2nc3c4c5c(sc4ncn3n2)CCC5)n[nH]c1C1CC1 4632367 QSIGWXXAPMQDDN-UHFFFAOYSA-N 322.397 3.095 0 40 DGAB Cc1ccccc1Nc1nc(C(=O)NC[C@H]2CCCO2)cs1 4687882 DLCSJQLZFQBZNK-GFCCVEGCSA-N 317.414 3.104 0 40 DGAB COc1cc2c(c(OC)c1)[C@@H](c1ccc(F)cc1F)CC(=O)N2 6820213 SVKUFISIQHPTPG-GFCCVEGCSA-N 319.307 3.456 0 40 DGAB COc1ccc(CSc2nnc3n2CCCCC3)cc1F 7787280 GXNHLPRGANYZGU-UHFFFAOYSA-N 307.394 3.445 0 40 DGAB CC1(C)Cc2nc3sc4c(=O)[nH]c(=S)[nH]c4c3cc2CO1 9289502 YJGZTIYTOINAND-UHFFFAOYSA-N 319.411 3.047 0 40 DGAB O=C1C[C@H](c2nc(-c3cccs3)no2)CN1c1ccccc1 9317989 UGASJYYUJUKIKP-NSHDSACASA-N 311.366 3.319 0 40 DGAB CC(=O)Nc1ccc(N2C(=O)c3ccccc3NC2(C)C)cc1 9420904 DXGBSBXHSLBHHI-UHFFFAOYSA-N 309.369 3.453 0 40 DGAB O=C(Nc1ccc(Nc2ccccc2)cc1)[C@@H](O)c1cccnc1 72275238 KPARPHVZDAROPD-SFHVURJKSA-N 319.364 3.497 0 40 DGAB CCC[C@@H]1C[C@H](C(=O)N(C)Cc2cccc(OC)c2)CCO1 96500008 WTWUEWBGXUSYNV-NVXWUHKLSA-N 305.418 3.249 0 40 DGAB COc1cccnc1NC(=O)c1ccc(Br)cc1C 71924361 KWDRNXLKOWNSBG-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CSc1ccc(C(=O)NCCc2cccc(CN(C)C)c2)o1 71900251 GXEIGBMTZSSYPO-UHFFFAOYSA-N 318.442 3.036 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)no1 72232210 ZOLJSIWIHCKVGS-KBPBESRZSA-N 303.406 3.255 0 40 DGAB CC(C)n1nccc1NC(=O)NCc1ccnc2ccccc12 84633014 CBFQUWILTKXQNW-UHFFFAOYSA-N 309.373 3.334 0 40 DGAB COC[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1C)c1ccco1 84718097 SPGWKJZZOBCEPK-NUTKFTJISA-N 314.385 3.200 0 40 DGAB O=C(/C=C/c1ccc(Cl)nc1)NCCCc1ccccc1 95442118 YMSXMSUBMBLBKP-PKNBQFBNSA-N 300.789 3.497 0 40 DGAB O=C(CN(Cc1ccco1)C(=O)C1=CCCC1)Nc1ccccc1 95414584 LICOPCHIBQJPGW-UHFFFAOYSA-N 324.380 3.357 0 40 DGAB O=C1N[C@@H](c2cc(Cl)cc3cccnc23)Nc2ncccc21 95418344 OSSWZPWBFLOIDN-HNNXBMFYSA-N 310.744 3.137 0 40 DGAB CCOc1ccccc1CCC(=O)N[C@H]1CCC[C@H](N(C)C)C1 95408050 BVBCURZBNLCSLC-IRXDYDNUSA-N 318.461 3.007 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1 27971732 LXAAIKHQECIKBR-HUUCEWRRSA-N 313.401 3.038 0 40 DGAB Cc1ncccc1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 95988578 SDARCUPRKCHXFG-SJORKVTESA-N 304.340 3.288 0 40 DGAB O=C(Cn1ccc(=O)c2sccc21)NC1CCCCCCC1 89884688 XLEZCJQHHSFFKM-UHFFFAOYSA-N 318.442 3.292 0 40 DGAB O=C(O)c1cc(Cc2ccccc2)cc(Br)c1O 28650425 YAUHZACDUFGIHL-UHFFFAOYSA-N 307.143 3.444 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc3[nH]c(C)nc3c2)cc1 32501679 ODLIPBIJWGSEAQ-UHFFFAOYSA-N 308.341 3.082 0 40 DGAB COc1cccc(-c2ncccn2)c1C(=O)N(C(C)C)C(C)C 32593172 RCNFPAKMJHQFNX-UHFFFAOYSA-N 313.401 3.411 0 40 DGAB Cc1ncsc1CNC(=O)N[C@H](Cc1ccccc1)C1CC1 76971584 KKUVORRDTAIAEQ-OAHLLOKOSA-N 315.442 3.272 0 40 DGAB Ic1ccc(-c2nc3cnccc3o2)cc1 226281456 LAYLVOBYQNYYQK-UHFFFAOYSA-N 322.105 3.494 0 40 DGAB c1csc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)c1 44648870 OGXPUYREBWVGRC-UHFFFAOYSA-N 322.455 3.211 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O 226691259 HFPGREXJLCMVAK-FIXIBIHLSA-N 301.773 3.350 0 40 DGAB O=C(NC1CCCC1)c1cnc(-c2ccc(Cl)cc2)nc1 222600749 WRADPVSIQRYMOI-UHFFFAOYSA-N 301.777 3.469 0 40 DGAB COc1cccc(-c2cnc(CCC(=O)NCCC(C)C)o2)c1 224849794 YFWFBTKHFNQUBA-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB COCc1cccc(C(=O)NCCOc2cccc(Cl)c2)c1 40108404 ODTBSVMQLFHXGG-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3ccncc3)N21 222650241 TZJNSLPGHMPJHY-FVQBIDKESA-N 310.426 3.456 0 40 DGAB C[C@@](O)(CNC(=O)c1cc2ccccc2s1)c1ccco1 225621815 AYSOZHYAKLCLLI-MRXNPFEDSA-N 301.367 3.132 0 40 DGAB CCc1ccc(OCC(=O)NCCc2ccc(F)cc2)cc1 47077034 TUAONFKTCRUSNT-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB COc1cccc(COc2ccc(C(C)=O)cc2C(=O)O)c1 85397470 NDJPDWCIPBDAEB-UHFFFAOYSA-N 300.310 3.175 0 40 DGAB O=C1C[C@H](c2ccc(F)c(F)c2)c2c(ccc3nsnc23)O1 96224079 JRZQCVMILCGVSX-MRVPVSSYSA-N 318.304 3.411 0 40 DGAB C[C@H](CC(=O)c1ccco1)NC(=O)CSc1ccccc1 96469123 OZPBSSDQBJUGQW-GFCCVEGCSA-N 303.383 3.149 0 40 DGAB CC[C@](C)(NC(=O)c1ccc(COC)cc1)c1nccs1 96416616 GJTQHKIXFYBAPB-INIZCTEOSA-N 304.415 3.345 0 40 DGAB CCOC[C@@H]1CN(Cc2ccco2)Cc2ncn(CC3CC3)c21 96060306 ITQHAOWYSKXTKM-HNNXBMFYSA-N 315.417 3.022 0 40 DGAB COC(=O)C1(c2ccc(C(F)(F)F)cc2)CCC(=O)CC1 90513057 HBWPXROJSKQDGI-UHFFFAOYSA-N 300.276 3.259 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)Nc1cccn(C)c1=O 96454339 PVDCWMOHVXQVTF-UHFFFAOYSA-N 320.776 3.080 0 40 DGAB CC(C)[C@@]1(C)C[C@H]1N=c1[nH]n2cc(-c3cccnc3)nc2s1 578737245 QWYUDIVMZUCHGP-CZUORRHYSA-N 313.430 3.121 0 40 DGAB CCCCOCC(=O)N[C@H](C)c1nc2cc(Cl)ccc2[nH]1 95398497 FRMTVYNAGDMOND-SNVBAGLBSA-N 309.797 3.210 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc(-n2ccnc2)c1 96432082 DGVAYTUUWCDVIO-GWCFXTLKSA-N 324.211 3.243 0 40 DGAB C[C@@]1(C(=O)NCc2ccccc2)CC(c2ccccc2F)=NO1 96192525 XYVJCBHHFOHPHL-SFHVURJKSA-N 312.344 3.025 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 257331602 XTOIEBHEACCNNR-IJDCCNJMSA-N 307.397 3.123 0 40 DGAB Cc1cncc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257217175 CXVVHOOAHBLPSE-GOSISDBHSA-N 321.424 3.294 0 40 DGAB Cc1cc2cc(C(=O)N3CCC[C@H](c4ccn[nH]4)C3)ccc2o1 257272245 NBPQFXQJSZBFHZ-AWEZNQCLSA-N 309.369 3.484 0 40 DGAB O=C(O)CC1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 257197673 GDDKFMWVDHIKHU-UHFFFAOYSA-N 315.413 3.212 0 40 DGAB C[C@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cnns1 585094481 OAEFLJOZPQTJNO-MRVPVSSYSA-N 307.810 3.261 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1c(Cl)nc2ccccn12 47298422 CTRUNUDQXXQQAE-UHFFFAOYSA-N 318.789 3.185 0 40 DGAB CCOC(=O)C1CCN(C(=O)c2ccc(C(C)C)cc2)CC1 47465135 ZQXUGQQMGXKIGF-UHFFFAOYSA-N 303.402 3.225 0 40 DGAB CC(C)[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(C2CC2)cs1 58004205 YDDJIQIOABZHED-JSGCOSHPSA-N 324.446 3.179 0 40 DGAB Cc1nc(-c2cccc(NC(=O)NCc3cccs3)c2)n[nH]1 69584976 LVAOIAFXVSPVIH-UHFFFAOYSA-N 313.386 3.163 0 40 DGAB O=C(NC[C@H]1CCCS1)c1ccc(Br)s1 89800113 IDMXHUAFWKYOSV-SSDOTTSWSA-N 306.250 3.136 0 40 DGAB CC(C)[C@@H](NC(=O)C1Oc2ccccc2O1)c1cccs1 12200474 CTARTNMKHOMICT-CQSZACIVSA-N 303.383 3.359 0 40 DGAB Cc1oc2ccc(O)cc2c1C(=O)N(C)CCN1CCCCC1 12206147 SAYBCNXSYHNXFG-UHFFFAOYSA-N 316.401 3.005 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2cc(C)ccc2C)cc1 13710384 SCDVDBUGFASOTF-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB Cc1ccc(-n2nnnc2-c2c[nH]nc2-c2ccccc2)cc1 16311497 CAZSRNZBWISASD-UHFFFAOYSA-N 302.341 3.028 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)nc1 238831804 GBZIBXRSFZYTQA-AWEZNQCLSA-N 322.364 3.425 0 40 DGAB Cc1cc(S(=O)(=O)c2cc3ccccc3oc2=O)ccc1F 4484158 UKQFZNXAGGOCLQ-UHFFFAOYSA-N 318.325 3.073 0 40 DGAB CCSc1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4585864 SOEXXJIJAZFDQV-UHFFFAOYSA-N 306.412 3.211 0 40 DGAB O=C(NC1CCCC1)c1nccnc1-c1nc2ccccc2s1 6661607 QPXLUKIGCNILJS-UHFFFAOYSA-N 324.409 3.426 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccsc2)n2cccn2)c(C)o1 575614374 QYIAERWRRXMTHX-OAHLLOKOSA-N 315.398 3.174 0 40 DGAB Cc1cc(N2CCC[C@H]2c2ccc3c(c2)OCCO3)nc(C)n1 40051206 GERXPFZWQQDSRU-HNNXBMFYSA-N 311.385 3.206 0 40 DGAB Cc1sc(NC(=O)c2ccccc2Cl)c(C(N)=O)c1C 96164 OOIJJIOIZNNOQP-UHFFFAOYSA-N 308.790 3.370 0 40 DGAB Cn1ccnc1CN(C(=O)Nc1ccc(Cl)cc1)C1CC1 40139363 LTRUZRYRDSANJS-UHFFFAOYSA-N 304.781 3.270 0 40 DGAB COc1ccc(CNC(=O)NCc2ccc(C)cc2)cc1OC 30986919 PQOQUJYBNGQRJQ-UHFFFAOYSA-N 314.385 3.012 0 40 DGAB O=C(O)CCc1ccc(NC(=O)Cc2ccc(F)cc2)cc1 20227010 LCGXAOXDMFBGPS-UHFFFAOYSA-N 301.317 3.024 0 40 DGAB Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccccc1F 20467834 YCHLVOIMHHKMOL-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB O=C(CC(=O)C(F)(F)F)c1ncc(C(F)(F)F)cc1Cl 100925502 LTCZSMDKNVMICV-UHFFFAOYSA-N 319.588 3.458 0 40 DGAB CN(C)[C@@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 69771507 OLSKGRSJTGAYCX-LLVKDONJSA-N 318.314 3.011 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nnc(-c2ccco2)o1 418105 BKVPUBPUTPNGRK-GHMZBOCLSA-N 321.402 3.211 0 40 DGAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cnn(C)c1 69743658 LSPSZTQRDZANPG-HNNXBMFYSA-N 320.396 3.219 0 40 DGAB CCCC(=O)NCc1ccc2c(c1)CCCN2C(=O)CCC 69738803 VDIAKROUZVMZEK-UHFFFAOYSA-N 302.418 3.182 0 40 DGAB CC(C)c1cc(C(=O)NCc2cccc(Br)c2)n[nH]1 52473259 RPZMWHLIULXTEB-UHFFFAOYSA-N 322.206 3.226 0 40 DGAB CC(=O)Nc1nc(-c2ccc3c(c2)C[C@H](C)N3C(C)=O)cs1 4892196 NNLWLZOOYAZJHA-VIFPVBQESA-N 315.398 3.066 0 40 DGAB CCOc1cc(C(=S)N2CCCCC2)ccc1OCCOC 6961170 VNPXJEBGRSIJKO-UHFFFAOYSA-N 323.458 3.272 0 40 DGAB CSc1nnc(C)c(/C=C/NOCc2ccc(Cl)cc2)n1 100322972 JRRWZFKHAMARDU-BQYQJAHWSA-N 322.821 3.247 0 40 DGAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccc(C)cc1 57486394 SANJFCLWMYVENV-UHFFFAOYSA-N 324.405 3.310 0 40 DGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(C)cc2)C1=O 2616663 HEFYFBRNCRLZDY-IBGZPJMESA-N 308.381 3.352 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1 100179632 FRINMYWKWPHCRN-KKFZBWNWSA-N 323.392 3.033 0 40 DGAB CC(C)c1ccc2c(c1)CCCN2CC(=O)Nc1nncs1 52643695 JSTXNSVSADGTCG-UHFFFAOYSA-N 316.430 3.053 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccc(Cl)cc1)OC2=O 100260472 MCVRZCJRXAOBRC-IAGOWNOFSA-N 321.804 3.078 0 40 DGAB COc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1F 8478334 WGQVDCONECDALK-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CCc1ccc(CNC(=O)COC(=O)c2ccccc2C)cc1 51356344 HVZMBEMMGXWNBJ-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 46787264 IEEAOUSASUGEDS-GWCFXTLKSA-N 317.307 3.332 0 40 DGAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 46986927 ZVMQIYYDKHHTNH-LBPRGKRZSA-N 324.384 3.157 0 40 DGAB CN(CCCNC(=O)CSc1ccccc1)c1ccccc1 57288725 PLWZWJAASIGJTO-UHFFFAOYSA-N 314.454 3.421 0 40 DGAB Ic1ccc(OC2CCCCC2)nc1 12359601 WPSQDKMWLFYZTL-UHFFFAOYSA-N 303.143 3.398 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 108150830 RRWGWOJWFSTIGK-OAHLLOKOSA-N 308.853 3.467 0 40 DGAB CC(=O)c1csc(C(=O)N(C)c2nc3ccccc3o2)c1 106606230 ABEVKQAYANGAMK-UHFFFAOYSA-N 300.339 3.369 0 40 DGAB O=C(NC1CCCCC1)C(O)(c1ccccc1)c1ccccc1 3149707 YMDKHIXHNJGXSF-UHFFFAOYSA-N 309.409 3.371 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)NCCc1cn2ccccc2n1 26288332 JVDISTGNVBBKTQ-OAHLLOKOSA-N 322.412 3.246 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 102804480 WCIQUPLJLMIALB-XJKCOSOUSA-N 317.385 3.003 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(F)cc1 21596249 NSKGXSFQXSJZEL-UHFFFAOYSA-N 318.373 3.270 0 40 DGAB COCC(=O)Nc1ncc(Cc2cccc(C)c2Cl)s1 44543535 MEMHCHZGQFQNKP-UHFFFAOYSA-N 310.806 3.281 0 40 DGAB COCCOc1cc(C)ccc1NC(=O)NCc1ccccc1 47846275 DMLTTZYFDTVFCN-UHFFFAOYSA-N 314.385 3.342 0 40 DGAB COc1ccc2c(c1)O[C@](c1ccccc1)(C(F)(F)F)NC2=O 3290379 WBVZYOJJFOBNGB-OAHLLOKOSA-N 323.270 3.233 0 40 DGAB Cc1cc(N2CCOCC2)ccc1NC(=O)C[C@H]1C=CCC1 36392551 OMQJKADNTSBTDN-HNNXBMFYSA-N 300.402 3.126 0 40 DGAB CC(C)CSc1nnc(Cc2cccc3ccccc23)n1N 3333950 XROASIURMCTXTN-UHFFFAOYSA-N 312.442 3.484 0 40 DGAB O=C(CCCc1cccs1)Nc1ccc2c(c1)OCCO2 28647593 PDYMUPCJHDRDSW-UHFFFAOYSA-N 303.383 3.481 0 40 DGAB O=C(O[C@@H]1CCOC1=O)c1c(Cl)ccc(Cl)c1Cl 3352264 LIVUJJCMOJSCNT-SSDOTTSWSA-N 309.532 3.119 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2ccc(C)c(F)c2)c1 3334796 ZDNCPFNJQOEVIK-UHFFFAOYSA-N 316.376 3.213 0 40 DGAB FC(F)(F)c1ccccc1[C@H]1CN(C[C@H]2CCOC2)CCO1 110712697 BBPWKCYBARPHAI-IUODEOHRSA-N 315.335 3.115 0 40 DGAB O=C(Nc1ccnn1Cc1ccc(Br)cc1)C1CC1 36784314 LCWFBGDVCKYZCF-UHFFFAOYSA-N 320.190 3.042 0 40 DGAB CCOC(=O)c1cccnc1Oc1ccc(-c2nnco2)cc1 48314389 PFPWSJWETMVWQC-UHFFFAOYSA-N 311.297 3.101 0 40 DGAB COc1ccc2oc(=O)c(-c3ccc(OC(C)=O)cc3)cc2c1 12901862 WVZPKBOLVXFZTC-UHFFFAOYSA-N 310.305 3.394 0 40 DGAB biogenic Cc1cc(C)c(NC(=O)[C@H]2CS[C@@]3(C)CCC(=O)N23)c(C)c1 12988920 ZJXJYDCIJOIJBH-DYVFJYSZSA-N 318.442 3.004 0 40 DGAB CCOc1ccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)cc1C 63716880 NPYLUNLCDKULOY-UHFFFAOYSA-N 322.364 3.488 0 40 DGAB O=C(N[C@@H](CN1CCCCCC1=O)c1ccccc1)C1CCC1 69844514 VTWXLRSAXYWNOG-KRWDZBQOSA-N 314.429 3.047 0 40 DGAB Cc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1C 4104554 UPEAWSLWYOETRW-GOSISDBHSA-N 324.405 3.188 0 40 DGAB CCc1ccccc1N1C[C@@H](C(=O)OCc2ccccc2)CC1=O 5037577 XNBDZXWPICULGW-KRWDZBQOSA-N 323.392 3.345 0 40 DGAB CCCc1nnc(NC(=O)/C=C/c2ccc(OC)cc2)s1 4694982 AGRWLLYPYPJBOM-JXMROGBWSA-N 303.387 3.151 0 40 DGAB CCOC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2)cc1 21884813 ZHAVGAOOPOMBKU-UHFFFAOYSA-N 316.332 3.053 0 40 DGAB CCc1cccc(NC(=O)CN(C)Cc2scnc2C)c1 66565195 BHTABMBLPILRQB-UHFFFAOYSA-N 303.431 3.084 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cccc(C)c2)cc1 67197805 AJROSHSMYGIBOW-OAHLLOKOSA-N 311.381 3.338 0 40 DGAB CN1C(=O)c2ccccc2N[C@@H]1c1cnn(-c2ccccc2)c1 15250788 VUCVLDOWFQHVIS-KRWDZBQOSA-N 304.353 3.069 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1C 20459131 YIFMKFMQLDHUTI-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB Cc1nc(SCC(=O)Nc2ccccc2F)nc(C)c1C 7253589 YVTZSMFNNRHKDY-UHFFFAOYSA-N 305.378 3.272 0 40 DGAB O=C(NCCOc1ccccc1)c1cccc(OC(F)F)c1 7594742 SQDRMVBFPKVRAI-UHFFFAOYSA-N 307.296 3.097 0 40 DGAB O=C1N/C(=C/c2ccccc2Cl)C(=O)N1Cc1ccccc1 409205175 ODWUZGUBJSPAIC-XNTDXEJSSA-N 312.756 3.433 0 40 DGAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@@H](C)c1ccc2c(c1)OCO2 96479155 FUNMMMBQOWGGHS-VVLGMZKNSA-N 323.458 3.146 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 97039525 SZHIQMHPAWRCRO-MCIONIFRSA-N 321.442 3.263 0 40 DGAB Cc1nc(C[S@@](=O)Cc2csc(-c3ccco3)n2)oc1C 97083591 SJKCIWIPFGVRSG-OAQYLSRUSA-N 322.411 3.457 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC 9616805 NRNAHEKGAJCKQC-OAHLLOKOSA-N 318.760 3.211 0 40 DGAB O=C(Nc1cccc(N2CCCCCC2)c1)c1csnn1 72293682 ISSLOYXCNQIOEO-UHFFFAOYSA-N 302.403 3.171 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(Cc3ccco3)C[C@@H]21 97113973 AEYRHMJLCOXQFM-VHDGCEQUSA-N 306.406 3.015 0 40 DGAB C[C@@H](C[C@H](O)c1cccs1)NCc1cccc2cn[nH]c12 97230184 ULSPIENDXISLGZ-FZMZJTMJSA-N 301.415 3.226 0 40 DGAB CC[C@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2OC)CCO1 97235876 DSRRZPUOKDNUKO-RISCZKNCSA-N 311.809 3.170 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1c(C)nn(C)c1Cl 75602337 MBZYWQQSUIVQRK-SNVBAGLBSA-N 324.837 3.124 0 40 DGAB C[C@@H](NC(=O)CC(F)(F)F)c1nc(-c2ccncc2)cs1 95394906 YDFRNWYPJXZHJY-MRVPVSSYSA-N 315.320 3.335 0 40 DGAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F)c1cncc(F)c1 95465086 DWAUCNSLFBTGNM-TVYUQYBPSA-N 320.314 3.480 0 40 DGAB CN(C(=O)NCc1cccc(Cl)c1)C1CCC(CO)CC1 95430483 KVBBIVHPBHSBHM-UHFFFAOYSA-N 310.825 3.033 0 40 DGAB COC(=O)c1ccc(COc2ccc(-c3nnco3)cc2)s1 95965101 MIAGOQQMWQTKLK-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB O=C(Cc1c(Cl)cccc1Cl)N1CC[C@@]2(CCOC2)C1 79093738 QRYKMQSPKLBJML-OAHLLOKOSA-N 314.212 3.175 0 40 DGAB Fc1ccc(Br)c2c1CC[C@H]2NCCn1ccnc1 89693908 MNZDFXOZNPUTFE-CYBMUJFWSA-N 324.197 3.062 0 40 DGAB Cc1cc(-c2nc(-c3ccsc3)no2)n(C2CCOCC2)n1 528164795 AIJSTNBVSWOERW-UHFFFAOYSA-N 316.386 3.322 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccco1 31252287 VKDPXEWJNXIJSE-GFCCVEGCSA-N 323.389 3.236 0 40 DGAB CN(C(=O)c1ccc2c(c1)nnn2C)c1ccc2ccccc2c1 73125460 YVIVVBSRVCTFQG-UHFFFAOYSA-N 316.364 3.398 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccccc2)cnc1N(C)C 72218627 UAMVBEULCQYEPY-KRWDZBQOSA-N 309.413 3.433 0 40 DGAB c1ccc2c(c1)ncn2[C@H]1CCCN(c2nc(C3CC3)no2)C1 76686453 LKXKSMUKGKACKC-ZDUSSCGKSA-N 309.373 3.138 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)COC2CCCCC2)c1 44350722 XQLBNAAJPIUGQW-ZDUSSCGKSA-N 321.417 3.230 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(F)cc2Cl)C1 40107583 FKKIBBQBJJJFON-VXGBXAGGSA-N 312.816 3.187 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2)c(C)c1 224605684 CLVWHXBDOLJNBF-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccc(OC)cc1 226261616 CUIGISJUHPHSPU-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB O=C(CS(=O)(=O)c1ccccc1F)c1ccc(Cl)cc1 81906869 NWQJJIURIKEPDO-UHFFFAOYSA-N 312.749 3.136 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 40160911 GYNZAFIFTANTDS-AWEZNQCLSA-N 323.820 3.074 0 40 DGAB Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c(Cl)c1 225003099 RYOGOAXTUGAWAZ-KBPBESRZSA-N 308.853 3.356 0 40 DGAB Cc1cccc(CCC(=O)NC[C@H](c2ccccc2)N(C)C)c1 198912342 VDNFXWXQGJUZHD-LJQANCHMSA-N 310.441 3.347 0 40 DGAB Cc1ncsc1C(=O)OC[C@H]1CCN(c2ccccc2)C1 96442392 CACCGVWXFCGLJH-ZDUSSCGKSA-N 302.399 3.135 0 40 DGAB CCOC[C@@H]1CN(Cc2ccoc2)Cc2nn(CC3CC3)cc21 96060470 DVFZMYMWUCSPEH-INIZCTEOSA-N 315.417 3.022 0 40 DGAB Cc1ccc(CNC[C@@H]2OCCc3cn(CC4CC4)nc32)s1 96044351 WIRGZCYEKOLZRO-INIZCTEOSA-N 317.458 3.067 0 40 DGAB O=C(c1ccccc1F)N1CC(Cc2nccc3cc[nH]c23)C1 257238854 HMVBKASFFXBBLI-UHFFFAOYSA-N 309.344 3.017 0 40 DGAB c1c[nH]c(-c2nccnc2[C@@H]2CCCN(C3CCCCC3)C2)n1 257224644 FCRRTEXNRXDKBA-CQSZACIVSA-N 311.433 3.379 0 40 DGAB CC(C)C[C@@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccs1 252503249 UZZZWTKCVHBEOP-RRFJBIMHSA-N 317.458 3.489 0 40 DGAB CC(=O)N1CCN(Cc2ccsc2)[C@@H](c2ccccc2)C1 257215362 CPTGYIPPWLKTRK-QGZVFWFLSA-N 300.427 3.154 0 40 DGAB CCN(Cc1cnc2ccccn12)C(=O)c1cccc(N(C)C)c1 96097147 JWXZLGFWALFCND-UHFFFAOYSA-N 322.412 3.063 0 40 DGAB CC(=O)NCc1ccc(C(=O)N2CCCc3cccc(C)c32)cc1 53896305 IFIDLVZJVSVFMN-UHFFFAOYSA-N 322.408 3.224 0 40 DGAB C[C@H](COc1ccc(F)cc1)NC(=O)N(C)Cc1ccco1 50155213 DFSVAHKFKOPKTI-GFCCVEGCSA-N 306.337 3.028 0 40 DGAB Cc1ccc(C)n1C1CCN(Cc2cccc(C(N)=O)c2)CC1 58355596 NCXXCRKFBIREKT-UHFFFAOYSA-N 311.429 3.041 0 40 DGAB Cc1cccc(N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1C 57717531 WNAQNDYUACFSHQ-IBGZPJMESA-N 324.424 3.315 0 40 DGAB O=C(CC(F)(F)F)Nc1nc2ccccc2nc1N1CCCC1 58617684 DPMMESTWSXGZHY-UHFFFAOYSA-N 324.306 3.121 0 40 DGAB Cc1cc(C)c2c(c1)N(C(=O)c1cc3c([nH]c1=O)CCC3)CCC2 66476150 XMZMJVRUBIMMBJ-UHFFFAOYSA-N 322.408 3.073 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1ccc(-c2ccco2)nc1C 69530471 LQAPAJQGEBJZSB-AWEZNQCLSA-N 314.385 3.149 0 40 DGAB Cc1cnc(C(=O)Nc2cccc(-c3nc(C)cs3)c2)cn1 69633164 NQMFZZCTYPOOIU-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB O[C@H](CSCc1nc(-c2ccoc2)no1)c1ccccc1 70016905 FZYBGIWWFMKIPT-CYBMUJFWSA-N 302.355 3.296 0 40 DGAB Cc1noc(C)c1CNC1(c2ccc(F)cc2)CCOCC1 70014626 QHCVKCHWYFSNPK-UHFFFAOYSA-N 304.365 3.226 0 40 DGAB CN(c1ccccc1)C1CCN(C(=O)c2ccsc2)CC1 79604587 HKNCQQIXPFEULG-UHFFFAOYSA-N 300.427 3.489 0 40 DGAB Cc1ccc(-c2ccc(/C=C3/NC(=S)NC3=O)o2)cc1Cl 364878 VDDXLYMOOLIYRX-KPKJPENVSA-N 318.785 3.254 0 40 DGAB COc1cc2c(cc1OC)[C@H](CNC(=O)/C=C\c1ccccc1)C2 16978117 HWLXMCMRERXUQW-QWGSZXSUSA-N 323.392 3.173 0 40 DGAB CC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(Br)c1 226351649 OWZQEYGFAOXIQT-UHFFFAOYSA-N 324.130 3.366 0 40 DGAB COc1ccc([C@H](NC(=O)CN2CCC[C@@H](C)C2)C(C)C)cc1 10051459 KLLWBTBMNOYGII-DNVCBOLYSA-N 318.461 3.240 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3cc(Cl)ccc3o2)C1 1889114233 HXXNDNVMEVPTLJ-JTQLQIEISA-N 321.808 3.222 0 40 DGAB Brc1cnccc1O[C@@H]1CCN(C2CCCC2)C1 1849311987 PYOMEEJSANYEKN-GFCCVEGCSA-N 311.223 3.240 0 40 DGAB CCOc1cc2c(cc1OCC)[C@H](c1cccc(O)c1)NCC2 20506900 BXKODDFQFQFCLQ-IBGZPJMESA-N 313.397 3.425 0 40 DGAB CCOC(=O)CSc1ncnc2sc3c(c12)CC[C@@H](C)C3 84846 DHSPGQAOZAFNHP-SECBINFHSA-N 322.455 3.471 0 40 DGAB O=C(NC[C@H](O)c1ccccc1F)Nc1ccccc1Cl 40525414 ZUUPDROYZRRROB-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB COc1ccc(C(=O)Nc2nc(-c3ccccc3)ns2)cc1 26474 RGVXOHBJCGPTQH-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB in-vivo CC(C)NC(=O)Nc1cccc(C(=O)Nc2ccc(F)cn2)c1 69485869 ZJXFIERKILZFGE-UHFFFAOYSA-N 316.336 3.003 0 40 DGAB Cc1cc(C)cc(NC(=O)N2CCC[C@@H]2C(=O)NCC(C)C)c1 1343086 ZNAPZMUJWXXJLF-MRXNPFEDSA-N 317.433 3.072 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@]2(C)C1=CCS2(=O)=O 1587062 WEPXXMKOMJGFRF-GOSISDBHSA-N 316.422 3.302 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1 1972443 LIWJJVXUWOZLPD-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CCc1nc(CCNC(=O)[C@H](OC)c2ccccc2)sc1C 69485550 KHWZGTZPFSTGQL-MRXNPFEDSA-N 318.442 3.060 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Cl)cc1 102074696 AZBXIVTWOALLAH-OJVARPOJSA-N 317.772 3.047 0 40 DGAB CC1CCN(Cc2ccc(CNC(=O)c3ccoc3)cc2)CC1 32769520 MLXAAIDRKJZHAU-UHFFFAOYSA-N 312.413 3.442 0 40 DGAB COc1cc(NC(=O)Nc2cc(C)on2)c(OC)cc1Cl 32841350 XNQBURNALVQCEY-UHFFFAOYSA-N 311.725 3.298 0 40 DGAB CCCOc1ccc(/C=C(/Sc2nnc(C)o2)C(=O)O)cc1 7603845 VVEPUUPGPURKGT-UKTHLTGXSA-N 320.370 3.385 0 40 DGAB CCOc1cccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)c1 10294046 CNEMBAWLKJIYBV-VQHVLOKHSA-N 311.337 3.466 0 40 DGAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2nc(N)nn21 531317 YIKOHTAXOUEZNT-LSDHHAIUSA-N 321.384 3.015 0 40 DGAB COc1ccc(C(=O)NCCc2c(C)[nH]c3ccccc23)cc1 8490600 PAOGQTOXBIGPGF-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 100539923 KDADEENOYSUPPW-AHCXZYCDSA-N 305.377 3.479 0 40 DGAB CC(C)c1ccc([C@@H](C)NC(=O)CCCn2cncn2)cc1 54057736 PNARNKCGGMFWCV-CQSZACIVSA-N 300.406 3.059 0 40 DGAB CCCCN(CC)C(=O)COC(=O)c1ccc(F)c(Cl)c1 51354017 BGAGUXRZJPRYBL-UHFFFAOYSA-N 315.772 3.285 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)c1 101275218 TWPZOBDRRKRLKE-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB O=C(Nc1ccc(Cl)cn1)c1ccc(Cn2cccn2)cc1 26089204 KTMWGUNPFIYMOL-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB O=C(Nc1ccnn1Cc1ccsc1)[C@@H]1C[C@H]2CC[C@H]1C2 107568704 LXTZYKBZSKAXKY-FPMFFAJLSA-N 301.415 3.368 0 40 DGAB CCN(CC)c1ncnc2c(-c3ccccc3)cn(CC(=O)O)c12 57352326 USXVFASAIRCDRV-UHFFFAOYSA-N 324.384 3.029 0 40 DGAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)c1ccccc1F 12550575 BKJFUFHUSRFJEN-MRXNPFEDSA-N 309.344 3.263 0 40 DGAB CC(C)c1ccc([C@H](O)Cn2cnc3ccsc3c2=O)cc1 44262556 WZOHLEPNNFMZBT-OAHLLOKOSA-N 314.410 3.315 0 40 DGAB COCC(=O)Nc1cccc(CNc2nc3ccccc3o2)c1 26775507 DWYSGHPQNVHJFL-UHFFFAOYSA-N 311.341 3.025 0 40 DGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)c1ccco1 27344128 PWURRPXOPHZAHK-HNNXBMFYSA-N 318.804 3.500 0 40 DGAB COc1ccccc1NC(=O)CN[C@H](C)c1ccc(F)c(F)c1 58146366 BDPKKAHHFPGCEV-LLVKDONJSA-N 320.339 3.263 0 40 DGAB CCC(CC)NC(=O)CN(C)Cc1ccc(SC)c(OC)c1 58136881 INHIYWWNOMERTD-UHFFFAOYSA-N 324.490 3.154 0 40 DGAB COc1cc(CN(C)C(=O)Nc2cc(C)on2)ccc1SC 58191267 OAAMGVQXXWORJJ-UHFFFAOYSA-N 321.402 3.377 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 58244604 LMMLBILOQUJEDR-LLVKDONJSA-N 306.793 3.320 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NO[C@@H]1CCCCO1 58330548 SNQHIVUTWKQDPJ-QGZVFWFLSA-N 302.374 3.065 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cncc(Br)c1 36697891 NGYMBXMENYISDF-JTQLQIEISA-N 317.186 3.436 0 40 DGAB Cc1cc([C@H](C)NC(=O)c2cc3c(cc2O)OCO3)c(C)s1 48237121 QCWINJSFDOPNSE-VIFPVBQESA-N 319.382 3.290 0 40 DGAB CCOC(=O)N[C@@H](CNCc1ccc(F)cc1F)CC(C)C 48274109 BVTJDNONORYRNN-CQSZACIVSA-N 314.376 3.215 0 40 DGAB Cc1ccccc1OCCN(C)[C@@H](C)C(=O)NC1CCCCC1 12762392 XWXLDRKMPLYQAN-INIZCTEOSA-N 318.461 3.143 0 40 DGAB CCCNC(=O)COC(=O)c1cc(C(C)C)cc(C(C)C)c1O 3412158 LWWDDYODBSEWHQ-UHFFFAOYSA-N 321.417 3.322 0 40 DGAB C[C@H](NCc1ccc(OCc2nccn2C)cc1)c1cccnc1 48683234 INLACHUSXPCIKR-HNNXBMFYSA-N 322.412 3.245 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1O 17410354 GGNXWFQIVHTAQB-UHFFFAOYSA-N 323.352 3.147 0 40 DGAB CCCN1CCC(N(C)Cc2cc(F)c(F)cc2F)CC1 92165893 RQBFMQSAVHPWOR-UHFFFAOYSA-N 300.368 3.410 0 40 DGAB C[C@@H]1CC[C@H](Nc2cc(Cl)ccc2CS(C)(=O)=O)C1 92169822 IXGNOURLOVKHSU-MFKMUULPSA-N 301.839 3.485 0 40 DGAB C[C@@H]1CCc2c(sc3ncn(CC(=O)C(C)(C)C)c(=O)c23)C1 5318794 APOLJGMWVIDHIR-SNVBAGLBSA-N 318.442 3.198 0 40 DGAB O=C(/C=C/c1cc(F)cc2c1OCOC2)N1CCCCCC1 14170959 DHKQQWRKHNGRKV-AATRIKPKSA-N 305.349 3.108 0 40 DGAB O=C(Nc1nc2ccc(F)cc2s1)[C@@H]1Cc2ccccc2O1 8774606 FKBWUXSEPQUTAZ-ZDUSSCGKSA-N 314.341 3.378 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1 6540985 WOECZNYDFVGOAM-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB CC(C)CNC(=O)CSc1ncc(-c2ccc(F)cc2)o1 8753420 NCBQGMLYWJBETE-UHFFFAOYSA-N 308.378 3.345 0 40 DGAB Cn1c(SCC(=O)c2ccc3c(c2)CCC3)nnc1C1CC1 7235230 CSZKGWBRQYFRQI-UHFFFAOYSA-N 313.426 3.156 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1)c1cc(F)cc(F)c1 16101358 WMXUKTYEHWVBQB-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB O=C(O)CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 9047638 WFIOJSSPZCZPKJ-UHFFFAOYSA-N 324.336 3.089 0 40 DGAB Cc1cc(N2CCc3sccc3C2)nc(-c2ccncc2)n1 68874838 ZUXLCZLYRVBWJZ-UHFFFAOYSA-N 308.410 3.471 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1F 8259533 YYQDKHUQPWAJIY-PVXIVEMSSA-N 321.392 3.232 0 40 DGAB CCn1ccc2ccc(NC(=O)N(C)Cc3noc(C)n3)cc21 96004858 DEZHVRZAUOBZJF-UHFFFAOYSA-N 313.361 3.017 0 40 DGAB COc1cc(OC)c(OC)cc1CNCCc1cccc(F)c1 19720368 RTPHPPXPQPBABA-UHFFFAOYSA-N 319.376 3.184 0 40 DGAB COC(=O)[C@H](C)Sc1nnc(Nc2ccccc2F)s1 9366428 CGOPIIVNLIAZMN-ZETCQYMHSA-N 313.379 3.074 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2cccc(C)n2)c1 9365180 GTTQKWBDZQHMEW-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB C/C=C/c1ccc(O[C@@H](C)C(=O)NCC(F)(F)F)c(OC)c1 9313768 UHLUTPCMNCDIPE-YEZKRMTDSA-N 317.307 3.174 0 40 DGAB CCCC(=O)N(CCC)Cc1cc2cccc(C)c2[nH]c1=O 9303303 DSUMNKSDTOHOCW-UHFFFAOYSA-N 300.402 3.375 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cnc(C(C)(C)C)s1 89949108 ZNZOGGDDTDFERD-DZGCQCFKSA-N 323.506 3.177 0 40 DGAB CN1CCC(N(Cc2ccco2)C(=O)c2ccsc2)CC1 71838649 MUXOMIWSEMZBOT-UHFFFAOYSA-N 304.415 3.078 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccc(F)cc1 71859212 BCBMMJLHJPYWPQ-WHEQGISXSA-N 319.401 3.126 0 40 DGAB O=C(/C=C/c1ccc2ccccc2n1)NCCCCn1ccnc1 71904009 UKHNOEQHMMRHAH-MDZDMXLPSA-N 320.396 3.041 0 40 DGAB CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1CCO[C@]2(CCSC2)C1 97034756 REFHWWMASNIYCA-LVQVYYBASA-N 313.507 3.224 0 40 DGAB O=C(O)c1ccccc1CCC(=O)N1CCCc2ccccc21 97039148 VHBIJKGKSCPAAB-UHFFFAOYSA-N 309.365 3.297 0 40 DGAB CC(C)c1nc([C@@H](C)NC(=O)c2cccc(C(=O)O)c2)cs1 97022388 IKPGQPJPKVOOEL-SNVBAGLBSA-N 318.398 3.456 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1c1nccs1 72272093 DREPGOOXHIWLCY-CQSZACIVSA-N 319.430 3.434 0 40 DGAB O=C(CCc1cccc(Cl)c1)N1CCC[C@H](c2ccn[nH]2)C1 84367683 QNHVRLCZRPRNDT-AWEZNQCLSA-N 317.820 3.402 0 40 DGAB Cc1cn2c(CNC[C@@H](C)CN3CCCCC3)c(C)nc2s1 77290551 JKYARBKEWLMCDF-CYBMUJFWSA-N 320.506 3.224 0 40 DGAB O=C(c1cc2ccccc2cc1O)N1CCC[C@@H](N2CCCC2)C1 73108300 UVKPEAJIVZZUCE-QGZVFWFLSA-N 324.424 3.246 0 40 DGAB COc1ccc(NC(=O)N2CCC3(CCOCC3)C2)cc1C 98014249 AGJNOQSGAZWIDI-UHFFFAOYSA-N 304.390 3.038 0 40 DGAB O=C(Cc1ccc(C(F)(F)F)cc1)N1CCOc2ccncc21 79022453 IQSISBGPRHYONK-UHFFFAOYSA-N 322.286 3.069 0 40 DGAB Cc1nnc(SCC[C@H]2CCCN2C)n1Cc1ccccc1 95975905 MSCVGPVCYVBQLI-MRXNPFEDSA-N 316.474 3.211 0 40 DGAB C[C@@H](C(=O)N(C)CCc1ccc(F)cc1)N1[C@H](C)CC[C@H]1C 95939007 OHARULNACGIXQI-KFWWJZLASA-N 306.425 3.088 0 40 DGAB Cc1nc(NC(=O)CC[C@@H]2CCCO2)ccc1Br 74240378 AUIRFNKOJIENNL-JTQLQIEISA-N 313.195 3.050 0 40 DGAB Cc1oc(-c2ccco2)nc1CN1CCOC2(CCCC2)C1 89548166 BPBBYJYZJFWEAU-UHFFFAOYSA-N 302.374 3.388 0 40 DGAB C[C@@H](N(C)C(=O)Nc1cccc(N2CCOC2=O)c1)C1(C)CC1 75108114 APNMLSMCTWQGCE-GFCCVEGCSA-N 317.389 3.296 0 40 DGAB O=C(NCCCn1ccnc1)[C@H]1C[C@@H]1c1ccc2ccccc2c1 89878734 PDJFUEDSJUUHGP-MOPGFXCFSA-N 319.408 3.346 0 40 DGAB CCOc1cccc(CNC(=O)c2ccc(OC)c(OC)c2)c1 20459106 GOBPBCBEGNAGRT-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB O=C(Nc1ccon1)c1ccc(COc2ccc(F)cc2F)o1 27983666 AECAMUWRNLPTRC-UHFFFAOYSA-N 320.251 3.377 0 40 DGAB COc1cc(Br)c(C(C)=O)cc1Br 307522310 BUGKPLRPZGJAPK-UHFFFAOYSA-N 307.969 3.423 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)N2CCCCC2)CC1 39752432 ZFVNAEGJCLWHKI-UHFFFAOYSA-N 300.446 3.220 0 40 DGAB COCCNC(=S)c1cccc(OCc2ccc(F)cc2)c1 408572632 HMJSPMRLTNRFNX-UHFFFAOYSA-N 319.401 3.316 0 40 DGAB Cc1cc(C(F)(F)F)nc(NC2CCN(C(C)C)CC2)n1 36618677 AMSVXMJPHZCANH-UHFFFAOYSA-N 302.344 3.089 0 40 DGAB CCN(CC)C(=O)/C=C/c1cc(C)n(-c2cc(C)on2)c1C 39976061 JEGZZMVVLWTFEU-CMDGGOBGSA-N 301.390 3.272 0 40 DGAB CCC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 72362185 AKACWMSYCVXVNO-CQSZACIVSA-N 311.385 3.385 0 40 DGAB CC(C)N(C(=O)[C@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 75198004 LIQOYYZWVUUFTJ-QWHCGFSZSA-N 310.438 3.079 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@](O)(c1ccccc1)C1CC1 70966022 LOJRCKPNCALONN-RDPWEWGOSA-N 307.393 3.114 0 40 DGAB O=S(=O)(Cc1ccccc1)Nc1ccc(N2CCCC2)cc1 74931591 DSQKUMCXZZUXFP-UHFFFAOYSA-N 316.426 3.229 0 40 DGAB Cc1nc(CSCCS(=O)(=O)c2ccccc2)cs1 78555823 WUMAUMWUDXSAED-UHFFFAOYSA-N 313.469 3.159 0 40 DGAB CCC(CC)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 79095384 UQAZKLZFDIZASB-UHFFFAOYSA-N 317.433 3.151 0 40 DGAB COC(=O)[C@H]1CC=CC[C@]1(C)C(=O)N[C@@H](C)c1ccccc1 45028019 VUAGMQXTURFJLM-JOQOYGCGSA-N 301.386 3.009 0 40 DGAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1C(=O)c1ccncc1 187041532 GCUGFNPEGBPAKR-LRDDRELGSA-N 316.788 3.337 0 40 DGAB CCOc1ccc(C[C@@H](OCc2ccccc2)C(=O)O)cc1 225108823 HBENCFBYLAUQGU-QGZVFWFLSA-N 300.354 3.298 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1 225749143 NQMISJJWXQNYPN-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB C[C@@H]1CCCC[C@@H]1CNCc1ccc(CS(C)(=O)=O)cc1 195559834 KOZGYRYCSYHXLC-RHSMWYFYSA-N 309.475 3.147 0 40 DGAB C[C@H](Nc1cnc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 46483921 UQWJROFUSIJWQW-NSHDSACASA-N 320.352 3.134 0 40 DGAB CCOC[C@H]1CCN(C(=O)Nc2cccc(N(C)CC)c2)C1 81612850 HIESGZPJEHZGHK-AWEZNQCLSA-N 305.422 3.033 0 40 DGAB O=c1nc(Nc2ccc(F)c(Cl)c2)[nH]cc1Br 144747353 YFQXTQWTNQDWFI-UHFFFAOYSA-N 318.533 3.069 0 40 DGAB C[C@H](CNC(=O)CCc1ccccn1)Oc1ccccc1Cl 96426060 KKUAZOHANXIFQO-CYBMUJFWSA-N 318.804 3.251 0 40 DGAB CCOC(=O)CCCOc1ccc(Br)c(F)c1 95738529 JHCAAAVSWGPTKK-UHFFFAOYSA-N 305.143 3.310 0 40 DGAB CCOCCO[C@H](C)C(=O)N1CCCCC[C@H]1c1ccc(C)o1 96414182 ULGBACNGWVHOEG-CVEARBPZSA-N 323.433 3.473 0 40 DGAB Cc1nc(Cl)cc(N[C@@H](C)c2cccc(-n3cncn3)c2)n1 96446567 OHODUZQMXKWMKY-JTQLQIEISA-N 314.780 3.192 0 40 DGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1ccc(C)s1 245237847 ZINGKEJQYJJENF-UPJWGTAASA-N 307.415 3.003 0 40 DGAB CCn1nccc1-c1cnc(C[C@@H]2CCCN(C(C)C)C2)cn1 257255914 KJJUSHRAQHUNEV-HNNXBMFYSA-N 313.449 3.023 0 40 DGAB CCOc1cccc(CNC(=O)C(C)(C)c2nccs2)c1 585122157 ORRSAIGLNUZLEN-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB CCCCCOCC(=O)N1CC2(CCC2)[C@H]1c1cccnc1 585127029 OILHDNAPLRUWGI-QGZVFWFLSA-N 302.418 3.342 0 40 DGAB Cc1cc(CC2CCN(C(=O)c3ncccc3C)CC2)ccn1 257312256 UNBJNDNBXPLBMX-UHFFFAOYSA-N 309.413 3.188 0 40 DGAB CC(C)N1C[C@@H](c2ccccc2F)[C@@]2(CCCCC(=O)N2)C1 257289364 PYHFSNXKDYDGQM-MAUKXSAKSA-N 304.409 3.062 0 40 DGAB COC(=O)c1ccc(N[C@H]2CCSc3c(F)cccc32)nn1 298736843 VZPIOKSSNUJSMI-NSHDSACASA-N 319.361 3.051 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 96122192 BDTQSBXAZSCEOY-AWEZNQCLSA-N 302.399 3.226 0 40 DGAB O=C1C[C@H](C(=O)OCc2ccccc2)Nc2cc(F)cc(F)c21 575423900 SIGGHVKNKXKEIF-CQSZACIVSA-N 317.291 3.075 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)N[C@H](C)c1ccc(Cl)s1 49153323 VGBRKNKNFFQFML-NXEZZACHSA-N 312.826 3.047 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccoc1)c1ccc(SC)cc1 69514679 GAGFUOWCXJILKB-CQSZACIVSA-N 319.382 3.036 0 40 DGAB Nc1nc(N)c(CCCOc2ccccc2)c(-c2ccccc2)n1 13283452 ZLJUKBBFEAIXRJ-UHFFFAOYSA-N 320.396 3.320 0 40 DGAB S=C(Nc1ccccc1)Sc1nnnn1-c1ccccc1 16490112 RQDRYUAEPJYLIE-UHFFFAOYSA-N 313.411 3.151 0 40 DGAB Cc1cnccc1OCC1CCN(C(=O)OC(C)(C)C)CC1 1888899300 NBOZCBKCCVOHNP-UHFFFAOYSA-N 306.406 3.416 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nnc(C)s3)s2)o1 31274276 JDDBGELEQINOPU-UHFFFAOYSA-N 320.399 3.432 0 40 DGAB O[C@]1(COc2ccc(F)cc2)CCCN(Cc2ccccc2)C1 2037905577 JFGZNNXMWOATDQ-LJQANCHMSA-N 315.388 3.232 0 40 DGAB O=C1[C@@H]2CS[C@H](c3ccsc3)N2C(=O)N1c1ccccc1 4520163 GDBGXLHSJNPEPX-GXTWGEPZSA-N 316.407 3.331 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2ccccc2)on1 12235443 JTNNVWLZDKYDTK-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1ccc(F)c(Cl)c1 38671080 MQXRSSNAVBKJSA-SECBINFHSA-N 321.739 3.260 0 40 DGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)[C@@H]1CC=CCC1 575612437 AFTWOHJFDGNPMN-HIFRSBDPSA-N 301.415 3.007 0 40 DGAB CC[C@@H]1c2ccsc2CCN1CC(=O)N(C)Cc1ccco1 40012118 MZUIJZQXOAAUNX-OAHLLOKOSA-N 318.442 3.309 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)Nc2cccc(-c3nnco3)c2)C1 40526936 OGVPWGDIHPYSBR-TXEJJXNPSA-N 300.362 3.246 0 40 DGAB CSCCc1ccc(NC(=O)NCc2cccnc2)cc1 69163966 KBSPZLKFHOQPBO-UHFFFAOYSA-N 301.415 3.309 0 40 DGAB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(C)cc1 242747 PHGZKUKQSVMNNR-OAHLLOKOSA-N 310.397 3.347 0 40 DGAB CC(C)=CC(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294421 UMISZJPZHQYEAU-UHFFFAOYSA-N 315.200 3.357 0 40 DGAB O=C1N2CCCSC2=NC1(c1ccccc1)c1ccccc1 1611636 VUZHNYOEIQDLOI-UHFFFAOYSA-N 308.406 3.265 0 40 DGAB COc1cc(OCc2ccccc2)c2c(C=O)cc(=O)oc2c1 1708662 ISMOGCPDRDVAAA-UHFFFAOYSA-N 310.305 3.193 0 40 DGAB Cc1nc2ccc(C(=O)N[C@@H](C)c3ccncc3)cc2nc1C 32740845 MTROEPRBQFQIQS-ZDUSSCGKSA-N 306.369 3.133 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)Nc1ncccc1O 32721946 FOOJAOYRTKUDLW-UHFFFAOYSA-N 307.353 3.133 0 40 DGAB CC(C)(C)c1csc(NC(=O)[C@@H]2COc3ccccc3O2)n1 4224271 PSTCEKUCORNKSC-LBPRGKRZSA-N 318.398 3.219 0 40 DGAB COCCN(C(=O)C(C)C)c1nnc(-c2cccc(C)c2)s1 4388573 CKBSAKNGNATORG-UHFFFAOYSA-N 319.430 3.149 0 40 DGAB COCc1cccc(C(=O)NC[C@H](C)N2CCc3ccccc32)c1 32817335 IMPZLNVPOWXZGB-HNNXBMFYSA-N 324.424 3.014 0 40 DGAB CN(C)c1ccc(CCCNC(=O)CCc2ccsc2)cc1 32818575 DOXMXRDMGVKKCI-UHFFFAOYSA-N 316.470 3.496 0 40 DGAB COc1ccccc1COC[C@@H](O)CN[C@H](C)CCCC(C)C 6906660 JBBDURRRSRDHQN-AEFFLSMTSA-N 323.477 3.377 0 40 DGAB CCCc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 7981534 CJEGFTPCOLUNHP-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB COc1cccc([C@H]2Nc3nonc3N=C3CCCC(O)=C32)c1 102742745 QZUJJAOBAZSBPW-CQSZACIVSA-N 312.329 3.314 0 40 DGAB Clc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)cc1 529193 LPGOFBWOKADCBI-UHFFFAOYSA-N 313.792 3.459 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)NC1CCC(C)CC1 2782342 UJOPVHUKUADCAJ-ZYXZCXLHSA-N 317.355 3.466 0 40 DGAB Oc1c([C@@H](c2ccccc2)N2CCCCC2)sc2ncnn12 23643584 LZHOGGNPJVKSLR-CYBMUJFWSA-N 314.414 3.072 0 40 DGAB Cc1nc(C2(NC(=O)c3cccc(F)c3)CCCCC2)no1 24753642 HCRRPJCWIRCZJQ-UHFFFAOYSA-N 303.337 3.107 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc3c(c2)sc(=O)n3C)cc1 21354982 WWHNVUCWBGSBCZ-UHFFFAOYSA-N 312.394 3.090 0 40 DGAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@H]1c1ccncc1 12528340 MIRDVWKJKPSDIS-SFHVURJKSA-N 318.380 3.245 0 40 DGAB CN(C)CCN(Cc1ccccc1)C(=O)NC1CCCCC1 10213417 HBFJJPKMZAURRK-UHFFFAOYSA-N 303.450 3.093 0 40 DGAB COC(=O)c1ccc(NC(=O)NCc2sccc2C)cc1 48007774 ALCNRFLJHUNFOO-UHFFFAOYSA-N 304.371 3.165 0 40 DGAB Cc1csc(CCNC(=O)c2cccnc2SC(C)C)n1 48123351 AFBNXXLRPYPXGH-UHFFFAOYSA-N 321.471 3.320 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2ccccc2N2CCOCC2)cc1 10900687 XHLNUQGPVLAGTE-UHFFFAOYSA-N 324.424 3.104 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N2CCC[C@H](C)C2)cc1OC 20035527 ZKVFMPZHMDEMJK-STQMWFEESA-N 323.458 3.443 0 40 DGAB CCCCc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 11278057 FBGKZADVUVPYMO-UHFFFAOYSA-N 301.419 3.261 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)Cc1ccccc1F 36739174 LFHOMEVENLFDMM-YVEFUNNKSA-N 315.344 3.013 0 40 DGAB Cc1ccc(-c2ccc(N3CCC[C@H](C(=O)O)C3)nn2)cc1C 11568023 JMDBUWLNGIPVIZ-HNNXBMFYSA-N 311.385 3.061 0 40 DGAB O=C1CN(c2ccccc2)C(=O)N1Cc1cccc2cccnc12 48355548 DECOUZOYOSXFKT-UHFFFAOYSA-N 317.348 3.204 0 40 DGAB O=S(=O)(N[C@H]1CCCc2occc21)c1cccc(Cl)c1 12986077 FVIILFYNSZIUHQ-ZDUSSCGKSA-N 311.790 3.289 0 40 DGAB CC(C)c1noc([C@H]2CC(=O)N(c3ccc4c(c3)CCC4)C2)n1 38488349 VUDIBXPOGAPCNL-AWEZNQCLSA-N 311.385 3.202 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8413078 OANCDSWGUBRWOG-BDAKNGLRSA-N 315.200 3.046 0 40 DGAB O=C(O)C[C@@H](NC(=O)CCc1ccc(F)cc1)c1cccs1 13389894 PCZKPLJIFRLNGH-CYBMUJFWSA-N 321.373 3.152 0 40 DGAB CSCCc1ccc(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cc1 69684960 FGNDQDSFMKQIQD-CHWSQXEVSA-N 308.447 3.233 0 40 DGAB CC(C)(C)C(=O)CSc1nnnn1-c1ccc(Cl)cc1 6159177 JLDBKQGENCSRIS-UHFFFAOYSA-N 310.810 3.023 0 40 DGAB Cc1nc(C)c(C(=O)OCC(=O)Nc2cccc(C)c2C)s1 6367167 PJCCRWCQQLJKNU-UHFFFAOYSA-N 318.398 3.172 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCCc2ccc(F)cc21 65529222 PKGDTIPWPTVZDG-UHFFFAOYSA-N 315.392 3.088 0 40 DGAB O=C(c1ccc(OCC2CC2)nc1)N(Cc1cccnc1)C1CC1 66607115 LTLMAGLJOLZXOX-UHFFFAOYSA-N 323.396 3.070 0 40 DGAB Cc1ccc2nc3c(cc2c1)CCN3S(=O)(=O)c1ccccc1 15841869 DATUZHFUUXNCOY-UHFFFAOYSA-N 324.405 3.295 0 40 DGAB C[C@H]1C[C@@H](Sc2nnc(-c3cccs3)n2C2CC2)C(=O)O1 8038140 SVTGQPVPLSQMGK-GZMMTYOYSA-N 321.427 3.138 0 40 DGAB Cc1cc(C)n(CC(=O)Nc2ccc(Br)c(C)c2)n1 16706108 GDJQREOYNRRITN-UHFFFAOYSA-N 322.206 3.210 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(N)ccc1F 19736600 XSHWVTGUOWGWAD-SECBINFHSA-N 308.740 3.467 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)NCc1ccccn1 9365700 PSZHBONFKXMNNH-UHFFFAOYSA-N 305.381 3.106 0 40 DGAB Cc1cccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)n1 9338635 BGBOGPLOBHILGQ-UHFFFAOYSA-N 308.341 3.364 0 40 DGAB Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)no1 9513970 ROVFNQFDHWRYHI-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB CC(=O)N[C@H](CC(=O)NC1CCCCCCC1)c1ccccc1 9517052 YTAPBKOZOCOZDC-GOSISDBHSA-N 316.445 3.483 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccc(O)nn1)c1ccc(Cl)cc1F 97081860 YWEAYQUYXKQQOA-CQSZACIVSA-N 323.755 3.102 0 40 DGAB CCc1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1 72283801 CEJRJFINLOKYAI-SFHVURJKSA-N 310.397 3.470 0 40 DGAB Cc1cc(C)c([C@H](C)NC(=O)CSc2nncs2)cc1C 9722288 YERNAZKYNWNLCX-LBPRGKRZSA-N 321.471 3.433 0 40 DGAB CN(C)[C@@H]1CC[C@@H](NCc2cn(C)nc2C2CCCCC2)C1 97106911 FNVGDSFFIAXCEL-IAGOWNOFSA-N 304.482 3.040 0 40 DGAB Cc1cc(C)nc(NC(=O)NCCCc2nc(C)cs2)c1 97143088 ZVFVETXPGXGMHZ-UHFFFAOYSA-N 304.419 3.218 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)Nc2cnn(CC(C)C)c2)CC1 76082471 NEJVZPKJKNSWPO-MRXNPFEDSA-N 322.453 3.352 0 40 DGAB Cn1cc(/C=C2\SC(=O)N=C2Nc2cccc(F)c2)cn1 72400423 PWOCODJVQLJAFC-XGICHPGQSA-N 302.334 3.278 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)C(=O)N1CCc2cc(F)ccc2[C@H]1C 97372356 HOSLTJLMYDNDLC-GXFFZTMASA-N 315.392 3.415 0 40 DGAB Cc1ccc2nc(CCN3C(=O)c4ccccc4C3=O)sc2c1 94993480 ZZZWJKGDGUUDQL-UHFFFAOYSA-N 322.389 3.443 0 40 DGAB CSc1c(Cl)cccc1NC(=O)NC1CCC(O)CC1 95403997 KFDHGDMMPDDKCE-UHFFFAOYSA-N 314.838 3.487 0 40 DGAB CC(=O)NCc1cccc(CNC(=O)Nc2ccc(C)s2)c1 95404812 QJPHPDXFHGNNII-UHFFFAOYSA-N 317.414 3.014 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc2nccnc2c1 95445819 QJOKNFMJAKLTRB-ZDUSSCGKSA-N 321.380 3.039 0 40 DGAB CN(C(=O)NCCCC(=O)Nc1ccc(Cl)cc1)C1CCC1 73786213 VTVOAVGOFCFCBZ-UHFFFAOYSA-N 323.824 3.253 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)c1 95949674 AOLPKFQLWVPSMP-CQSZACIVSA-N 316.307 3.017 0 40 DGAB Cc1nnc([C@@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)o1 79107157 GPXJHVJYDPBBQN-SSDOTTSWSA-N 314.267 3.280 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1[C@@H](C)c1nc(C2CC2)no1 75132404 VECPKKDLHKVMFX-JSGCOSHPSA-N 315.421 3.195 0 40 DGAB Nc1c(-c2ccccc2)nsc1C(=O)NCc1cccs1 67334739 AHMJGEPWMFHNRJ-UHFFFAOYSA-N 315.423 3.384 0 40 DGAB O=C(O)c1cc2cc(I)ccc2s1 60195641 QZPAVQCVSMWWSC-UHFFFAOYSA-N 304.108 3.204 0 40 DGAB O=C(CSc1nc(O)c2ccsc2n1)c1ccccc1 408597860 QWZCPWCYUWCDEP-UHFFFAOYSA-N 302.380 3.372 0 40 DGAB O=C(O)c1ccc(OC(=O)c2ccc(Br)cc2)cc1 216781227 YEVQTRLZHPDDAX-UHFFFAOYSA-N 321.126 3.367 0 40 DGAB CCOC(=O)/C=C/c1ccc(-c2ccc(C(=O)OC)cc2)o1 216886064 VGLQPTNPYAYKJA-PKNBQFBNSA-N 300.310 3.310 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccccc1O)c1ccccc1Cl 36700566 IHUWUPBHOQXJMM-OAHLLOKOSA-N 318.804 3.078 0 40 DGAB COc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1 72228909 VDPARIWVVDMVJL-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB c1cncc(CNc2c3c(nc4nc5ccccc5n24)CCC3)c1 35310937 DVAJXOJDCAHXAS-UHFFFAOYSA-N 315.380 3.378 0 40 DGAB O=C(c1cccnc1)N1CC[C@@H](Cc2cccc3cccnc23)C1 72368240 JUGRKVFEMWUCQH-HNNXBMFYSA-N 317.392 3.335 0 40 DGAB Cc1nc(C(=O)N2CC[C@H](Cc3cccc4cccnc34)C2)co1 72368611 FNFZWXGYDZNYPU-CQSZACIVSA-N 321.380 3.236 0 40 DGAB COc1ccc(NC(=O)C[C@H](CC(=O)O)c2cccs2)cc1 226751025 NNGCCDOLEWXCDI-LLVKDONJSA-N 319.382 3.344 0 40 DGAB CCCN(Cc1nnc(C2CC2)o1)[C@H]1C[C@@H](OCC)C1(C)C 195530746 JDOZCPLEYWKYGK-UONOGXRCSA-N 307.438 3.363 0 40 DGAB CC(C)N(C)C(=O)N(C)Cc1cc(Br)cs1 195577542 UYGLRTCYWCSISW-UHFFFAOYSA-N 305.241 3.403 0 40 DGAB Oc1cc(-n2cnnc2)ccc1-c1nc2cc(Cl)ccc2o1 45920465 CZNJMIPMDIAKLF-UHFFFAOYSA-N 312.716 3.435 0 40 DGAB CC(=O)c1ccc(C(=O)NCCCN(C)c2ccccc2)s1 138531044 MCMGAZYUOLZLNG-UHFFFAOYSA-N 316.426 3.207 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2csc(NC(=O)C3CCC3)n2)C1 45754788 WOEWNKYMRKNPCF-RYUDHWBXSA-N 307.463 3.360 0 40 DGAB C[C@H](CS[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1 225702932 VDCYTIKORITDIG-SKDRFNHKSA-N 303.349 3.431 0 40 DGAB O=C(CCc1ccco1)NC1(c2cccc(F)c2)CCOCC1 96431998 KYQUNFXDCHGENN-UHFFFAOYSA-N 317.360 3.173 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)COC[C@H]2CCCO2)c1C 96423793 OCRFWUWGNPOBDH-AEFFLSMTSA-N 317.429 3.163 0 40 DGAB C[C@@H](NS(=O)(=O)Cc1ccon1)c1csc2ccccc12 96427934 DLPSLOKTHXZPJW-SNVBAGLBSA-N 322.411 3.070 0 40 DGAB CC(=O)NCc1cccc([C@@H]2CCCN2C2CCCCC2)n1 257241446 HYBBTNURAWTHBO-SFHVURJKSA-N 301.434 3.187 0 40 DGAB CCCn1ccnc1CN1CCCC[C@H]1c1ccn2nccc2n1 257201063 AGBAJIXDCNTZNE-INIZCTEOSA-N 324.432 3.063 0 40 DGAB CN(c1ccncn1)C1CC2(CCN(Cc3cccs3)C2)C1 257213799 CJCURKYIFRQYRM-UHFFFAOYSA-N 314.458 3.029 0 40 DGAB CC(C)n1c(SCc2nncs2)nc2ccccc2c1=O 585133164 XUVWTRJLNZHYAW-UHFFFAOYSA-N 318.427 3.121 0 40 DGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1 257216423 CUMMTORIHWRMIY-LBPRGKRZSA-N 312.348 3.050 0 40 DGAB CC(C)Oc1ccc(C(=O)N2CC[C@@H](c3ccccn3)C2)cc1 85472928 GGHRDBNXLHXHEN-MRXNPFEDSA-N 310.397 3.499 0 40 DGAB Cn1cc([C@@H](NCc2cc(F)cc(F)c2)C(F)(F)F)cn1 390834071 RFIHDAYIORPBJN-GFCCVEGCSA-N 305.250 3.092 0 40 DGAB c1ccc(CO[C@H]2CSC3(C2)CN(C2CCCC2)C3)nc1 585105403 WAMCRSJBWCRCPR-MRXNPFEDSA-N 304.459 3.101 0 40 DGAB Cc1ccc(CN(C[C@@H](O)COc2ccc(F)cc2)C2CC2)o1 51965559 SIAVEDDZDJFHGF-MRXNPFEDSA-N 319.376 3.131 0 40 DGAB COCCOc1ccc(NC(=O)N2CCC(C)(C)C2)cc1F 76069699 KZONZJQMCRLRAE-UHFFFAOYSA-N 310.369 3.115 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 96748283 SFONCSRRVMNMHT-ZDUSSCGKSA-N 304.390 3.272 0 40 DGAB CC1(C)C(=O)N(c2ccccc2)C(=O)N1c1nc2ccccc2[nH]1 11612840 WNQWEAMLJSESSR-UHFFFAOYSA-N 320.352 3.315 0 40 DGAB c1ccc2[nH]c(-c3nn4c(-c5ccncc5)nnc4s3)cc2c1 13693007 BKUWJPKWLBGPOC-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB COc1ccc([C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 19935101 RPWPLLJQAQIKCJ-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB O=C(/C=C/c1cccs1)Nc1nc(-c2ccc(F)cc2)n[nH]1 8327908 FYXGFYILQUIZKA-BQYQJAHWSA-N 314.345 3.324 0 40 DGAB COc1ccc(-c2ccc(C(=O)O)o2)c(NC(=O)C(C)C)c1 226351892 IJENVNGUAHBWAO-UHFFFAOYSA-N 303.314 3.248 0 40 DGAB CO[C@@H]1CCN(Cc2cscn2)C[C@H]1Cc1ccccc1F 643913884 KDFYALJASWHEHR-RHSMWYFYSA-N 320.433 3.362 0 40 DGAB O=C(COc1c(Cl)cccc1Cl)Nc1nccs1 14200979 ACVCQMWKUXDZTO-UHFFFAOYSA-N 303.170 3.467 0 40 DGAB Cc1cnc([C@H]2CCCN2C(=O)c2cc3cccc(F)c3[nH]2)[nH]1 1848352223 IEUQYGSSTSHJSA-CQSZACIVSA-N 312.348 3.316 0 40 DGAB CCc1cc2c(=O)n([C@@H](C)C(=O)c3ccccc3)cnc2s1 7995040 FHGGASKESUUWNQ-NSHDSACASA-N 312.394 3.464 0 40 DGAB CCn1nccc1C(=O)Nc1nc2c(Cl)cccc2s1 11695976 MOLFNYVTFBPYBC-UHFFFAOYSA-N 306.778 3.418 0 40 DGAB O=C(NCc1ccc(F)cc1)C1(c2ccccc2)CCOCC1 16985181 OJNSCPCEWYKJTA-UHFFFAOYSA-N 313.372 3.190 0 40 DGAB CCOc1ccc(-c2cc3c(=O)n(CC(C)C)ccn3n2)cc1 1775968720 SSMQTOGROZYAKP-UHFFFAOYSA-N 311.385 3.218 0 40 DGAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccc(F)cc1)n2C 100812000 HYFKBMZAGRTQJV-FBMGVBCBSA-N 300.358 3.428 0 40 DGAB O=C(CCCC(=O)c1ccccc1)NC[C@H]1COc2ccccc21 585150014 NEORCANIAPFWGH-INIZCTEOSA-N 323.392 3.332 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc4ccccn34)C2)cc1 13686982 WOVPHPILAJGVLA-INIZCTEOSA-N 320.396 3.058 0 40 DGAB COC(=O)[C@H](C)NC(=O)Nc1ccc(Oc2ccccc2)cc1 540275 SKLQEDHKPXCTNN-LBPRGKRZSA-N 314.341 3.162 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cccc(Cl)c2)n1 40121503 CIBXXMPKQKXLEG-NSHDSACASA-N 305.809 3.219 0 40 DGAB CCOC(=O)c1ccc(C(=O)c2cccc(CN3CCC3)c2)cc1 2515112 RJKVPMDLGKMXBG-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)Cc1ccc(OC)cc1 1017214 CRNPDQRZYWVDIP-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB O=C(COC(=O)c1ccccc1O)Nc1ccc2ccccc2c1 2636396 GFXVAXPTGOYQJP-UHFFFAOYSA-N 321.332 3.341 0 40 DGAB c1ccc([C@@H]2c3cccn3CCN2Cc2nc(C3CC3)no2)cc1 96840011 GGQQSWKHUCTONJ-GOSISDBHSA-N 320.396 3.354 0 40 DGAB CC(=O)Nc1ccc(/C=C/c2n[nH]c(-c3ccccc3O)n2)cc1 12475227 RXIKLIZQXCALFX-DHZHZOJOSA-N 320.352 3.306 0 40 DGAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@@H](C)C3CC3)c12 23042251 HGFMBBCDXRESLZ-JTQLQIEISA-N 324.384 3.065 0 40 DGAB CCOC(=O)[C@@H](C(C)=O)C(=O)c1ccc(-c2ccccc2)cc1 100292053 FQLOASMOVXNUCJ-KRWDZBQOSA-N 310.349 3.305 0 40 DGAB O=C(NC1CC1)c1ccc(CN(Cc2ccccn2)C2CC2)cc1 104944676 KEBAPRFIXXQEHM-UHFFFAOYSA-N 321.424 3.138 0 40 DGAB O=C(Nc1nncs1)N[C@H](c1ccc(Cl)cc1)C1CC1 43128093 KQHFYAPVWZIGES-NSHDSACASA-N 308.794 3.464 0 40 DGAB CCOc1cc2c(cc1CNc1cc(C)nc(C)n1)O[C@H](C)C2 43533403 PGUMWVRVBMVHMW-GFCCVEGCSA-N 313.401 3.428 0 40 DGAB CC(=O)Nc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc1 43653593 FNYWNSAKDYTMDZ-NSHDSACASA-N 301.346 3.429 0 40 DGAB CCc1cccc(CC)c1NC(=O)COC(=O)c1ccncc1 3224859 ORXIAONWQZQRNW-UHFFFAOYSA-N 312.369 3.002 0 40 DGAB CCn1ccnc1CN(C)c1cc(C)nc(-c2ccccc2O)n1 102321826 WYZUOIWZFKYTFJ-UHFFFAOYSA-N 323.400 3.010 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3ccccn3)cc2)n1 27970335 NFAMOXVIIIBRKP-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CC(C)(C)c1ccc(C(=S)NCCCN2CCCC2=O)cc1 3348949 OPZYDOLYDTXRFP-UHFFFAOYSA-N 318.486 3.262 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1cccs1 3344916 ZMBYQWZKUSIBDT-CYBMUJFWSA-N 304.415 3.298 0 40 DGAB CCCCSc1nnc(-c2ccc(NC(C)=O)cc2)n1C 2201810 NCNJIZKIRPEVEH-UHFFFAOYSA-N 304.419 3.333 0 40 DGAB CC(=O)Nc1ccc(OC(=O)[C@@H](C)Oc2cccc(F)c2)cc1 24753014 IZXAOPOCEOMOSG-LLVKDONJSA-N 317.316 3.157 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1C 3319367 CTLZXMRCCPUUOE-YSVLISHTSA-N 317.429 3.401 0 40 DGAB Cc1cc(C)n2nc(SCCOc3ccc(F)cc3)nc2n1 3392639 SHBGXRKZFSZGGU-UHFFFAOYSA-N 318.377 3.051 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)NCCN(C)c1ccccc1 24241380 ZLKBEMLKKORXTF-OAHLLOKOSA-N 314.454 3.420 0 40 DGAB C[C@@H](Cc1ccco1)NS(=O)(=O)C1=Cc2ccccc2CC1 48251334 LNCMPBINPJLBND-ZDUSSCGKSA-N 317.410 3.117 0 40 DGAB CC(C)c1nccn1[C@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 70021668 VBEDUKLLHPWQQM-HOTGVXAUSA-N 319.449 3.129 0 40 DGAB C[C@H](NCc1c[nH]nc1-c1cccs1)[C@@H](C)n1cccn1 69368641 ZVSWDFXKYJTFKU-NWDGAFQWSA-N 301.419 3.074 0 40 DGAB Cc1nn(C)cc1[C@@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49549028 RGLWGZLKYFGSMN-CQSZACIVSA-N 321.384 3.097 0 40 DGAB Cc1ccc([C@@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1 65255297 GJNIWWQMKPOUDJ-FQEVSTJZSA-N 310.441 3.159 0 40 DGAB Cc1nc(-c2ccccc2C)n(CC(=O)N(C)c2ccccc2)n1 65501322 HNFUOVRAKPBEAK-UHFFFAOYSA-N 320.396 3.225 0 40 DGAB COc1ccc2c(c1)c(C(=O)NCCc1ccccc1)c(C)n2C 5389416 XQGFJJQBLLNNDG-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)c1 5440582 BPDXGHJLSURLHU-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB CSc1nsc(SCCC(=O)Nc2ccccc2)n1 4668959 OPKGJPJYRDBKDN-UHFFFAOYSA-N 311.457 3.381 0 40 DGAB O=C([C@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCC1 4746169 MAWQQTOCGFMNML-HNNXBMFYSA-N 306.837 3.174 0 40 DGAB COc1ccc(CNC(=O)c2cc3cc(C)ccc3n2C)cc1 4749233 XIDBDDMEUMACBV-UHFFFAOYSA-N 308.381 3.425 0 40 DGAB C[C@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C 5603625 ZIPFLVNUPROOQC-MUKKUYKPSA-N 317.429 3.261 0 40 DGAB CCc1nc2ccc(C(=O)Nc3ccccn3)cc2nc1CC 8747114 ITHUFJMBTANXHV-UHFFFAOYSA-N 306.369 3.402 0 40 DGAB COC(=O)[C@@H](CCSC)NC(=O)c1ccc(C(C)(C)C)cc1 6906395 KGTILTPHSJYANE-CQSZACIVSA-N 323.458 3.009 0 40 DGAB O=C(NC1CCOCC1)N1CCC[C@@H](c2ccccc2)CC1 67406001 ZZYAESCPDGTILL-MRXNPFEDSA-N 302.418 3.145 0 40 DGAB CSC[C@H]1CCN(C(=O)[C@H]2SCCc3sccc32)C1 80421622 XFYJVHUOJWDAGQ-GWCFXTLKSA-N 313.513 3.290 0 40 DGAB Cc1cccc(C(=O)NC[C@@H](c2ccc(C)o2)N2CCCC2)c1 15860214 SQHAXBPUIDOHPU-KRWDZBQOSA-N 312.413 3.463 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@H](C)CCc2ccco2)c1 9154485 YQBVZRASNZMRMC-GFCCVEGCSA-N 303.358 3.048 0 40 DGAB CSc1cccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)c1 9458894 FUKACKDUNNMJDB-OAHLLOKOSA-N 313.378 3.129 0 40 DGAB c1ccc(Cc2nnc(N3CC[C@H]4OCCC[C@@H]4C3)s2)cc1 97086018 UVHTZHBLLALPPK-HUUCEWRRSA-N 315.442 3.134 0 40 DGAB O=C(NCC1CCCCC1)c1ccc(N2CCCC2=O)cc1 9515204 NJYTWQFLXCRQQQ-UHFFFAOYSA-N 300.402 3.124 0 40 DGAB CCOc1ccccc1CCC(=O)Nc1nnc(C2CC2)s1 9504115 WXAGXIYUABRFQJ-UHFFFAOYSA-N 317.414 3.386 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)N1CCCCCC1 19909041 AHFWCQSZBCXYMU-UHFFFAOYSA-N 302.827 3.181 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)c(C)c2)C1=O 409246332 BDZHOMKDBAFXAL-SFQUDFHCSA-N 323.396 3.397 0 40 DGAB Cc1cccc(CCNC(=O)NC[C@H](C)c2nccs2)c1 97109967 RVGKCUYDHLAHHE-ZDUSSCGKSA-N 303.431 3.097 0 40 DGAB CC(C)OCCOC(=O)[C@@H]1CCCCN1Cc1ccccc1 95401038 LKEFULSCAPNEOC-KRWDZBQOSA-N 305.418 3.009 0 40 DGAB CCC1(CNCc2csc(N(C(C)=O)C3CC3)n2)CCC1 95964433 YJAZFMPENCPAEG-UHFFFAOYSA-N 307.463 3.328 0 40 DGAB CCOc1ccc(F)c(C(=O)N(C)c2ccc(OC)nc2)c1F 89786602 PDVYGNJCJMPKAL-UHFFFAOYSA-N 322.311 3.044 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc(C(=O)O)cc1 30849281 MPBADOFCSAGGEZ-LBPRGKRZSA-N 313.353 3.353 0 40 DGAB COC(=O)CSc1nc(-c2ccccc2)c(NC(C)=O)s1 35681842 SRKNGVGYCZMRGY-UHFFFAOYSA-N 322.411 3.034 0 40 DGAB Cc1cnc(CCNc2cccc(C[C@H]3CCCNC3)n2)s1 72365536 HYAUJANMNSUPNU-CQSZACIVSA-N 316.474 3.043 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC[C@H]1c1ccccc1 38540374 CALATTICCPJTQS-KBPBESRZSA-N 305.374 3.459 0 40 DGAB Cc1cc(C(=O)NCCCn2ncc3c(C)cccc32)c(C)o1 72239535 ULHKRXUZLSSIPX-UHFFFAOYSA-N 311.385 3.375 0 40 DGAB Cc1c(F)cccc1NC(=S)Nc1cccc(C(N)=O)c1 71325992 XQRGRVKPCVEELS-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(NCCSCc1ccccc1)NCc1ccccc1 32814606 NKVFGPXAMKFTPO-UHFFFAOYSA-N 300.427 3.419 0 40 DGAB COc1ccc(CCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 33644068 BUZSBYLXSNCQPK-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB C[C@H]1Nc2ccc(C(=O)O)cc2N(C(=O)OC(C)(C)C)[C@@H]1C 35572135 QPPPNLHIKVCISK-NXEZZACHSA-N 306.362 3.329 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 72227775 WRVZLCBXJSDZFA-KBPBESRZSA-N 307.180 3.409 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)cc1F 71761686 CYNLCFWRDBWBCW-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(NCCSC(F)(F)F)c1cc(Cl)ccc1F 40118583 VSXVHUSOKVLNIE-UHFFFAOYSA-N 301.692 3.462 0 40 DGAB CCCO[C@@](C)(C(=O)Nc1cnc(OCC)c(C)c1)C1CC1 225913276 PENIGPXRYVOBJQ-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB Cc1cc(C(=O)NC2(c3cccc(F)c3)CCOCC2)c(C)o1 81367729 RCENGGYCUXGNMP-UHFFFAOYSA-N 317.360 3.471 0 40 DGAB CCCCNC(=O)c1ccc(C)cc1I 225017312 KKRKDEWYQCVPEF-UHFFFAOYSA-N 317.170 3.130 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)(C)C 222782365 QEWKWQSYNRKNNN-CQSZACIVSA-N 304.434 3.037 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCCCC2)cc1C 225075462 ZLGLTELGRNFTQB-UHFFFAOYSA-N 302.462 3.228 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1 224848921 LKSSXVFYDBZXOD-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB COC(=O)[C@H]1C[C@H](C(F)(F)F)CC2(C1)SCCS2 225757800 NXQICXCXFQIZLR-YUMQZZPRSA-N 300.367 3.314 0 40 DGAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC[C@H]2CCCO2)c1 49891005 ZEAUICFOJGMTAI-HUUCEWRRSA-N 305.418 3.181 0 40 DGAB CC[C@H](C(=O)N1CCC[C@@H](COC)C1)c1ccc(OC)cc1 96492901 AQYFXRPHXFRMDI-PBHICJAKSA-N 305.418 3.074 0 40 DGAB Cc1ncc(C[S@@](=O)Cc2cnn(-c3ccccc3)c2)s1 97227874 OPZQQOPWNIXSHX-OAQYLSRUSA-N 317.439 3.086 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)c(C)c1 95915134 GUINJBHMPZHLNM-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB C[C@@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccoc1 96205994 PXRZGTACRLTOKL-CQSZACIVSA-N 324.384 3.027 0 40 DGAB Cc1nc(Oc2ccc(Br)cc2)cc(C(=O)O)n1 96524179 UQAIMXRMDYPVDF-UHFFFAOYSA-N 309.119 3.038 0 40 DGAB CN(C)[S@](=O)(=NC(=O)c1ccccc1)c1ccc(Cl)cc1 95351666 UAHFFXKVUCAADS-OAQYLSRUSA-N 322.817 3.484 0 40 DGAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)c1cscn1 96490915 XQYFMRBLLGVZIZ-DGCLKSJQSA-N 308.790 3.057 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1 96047575 RUBPDDZDTSPLSD-WMZOPIPTSA-N 316.376 3.264 0 40 DGAB C[C@H](CNC(=O)CCc1cccnc1)c1ccc(F)c(F)c1 96432603 PFLYEJYEGMDMDT-GFCCVEGCSA-N 304.340 3.212 0 40 DGAB CC(=O)c1ccc(C(=O)N2CCN(C3CC3)c3c(C)cccc32)o1 579785849 MOCCCMVDMPPWLX-UHFFFAOYSA-N 324.380 3.420 0 40 DGAB CCSc1ccc(NC(=O)NCCc2cscn2)cn1 96484119 HNDHXQGCNIRFAZ-UHFFFAOYSA-N 308.432 3.014 0 40 DGAB c1cc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)ccn1 96296184 AABNLFDMPVXYPJ-KRWDZBQOSA-N 312.417 3.178 0 40 DGAB biogenic,in-vitro O=C(NCC1(O)CCCC1)Nc1cccc(C(F)(F)F)c1 42382802 OPVSDNXCRVITAF-UHFFFAOYSA-N 302.296 3.132 0 40 DGAB c1cnc2ccc(CN3CCC[C@H](Cc4ccn[nH]4)C3)cc2c1 257246449 IUEUALPPSSKHED-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB CNc1ncccc1CN1CCC(C)(c2ncc(C)s2)CC1 257260582 LDMQRUARFKHVLW-UHFFFAOYSA-N 316.474 3.442 0 40 DGAB COC1CN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)C1 253407607 WRAHYWXUTRHEOJ-KPKJPENVSA-N 308.381 3.174 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C)Cc1cccs1 252581882 UQSICWPZUVGJER-MYPMTAMASA-N 322.474 3.039 0 40 DGAB CCOC[C@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 253385659 UEEAQDJJKLYTTB-GOSISDBHSA-N 322.412 3.025 0 40 DGAB Cc1cc2cc(C(=O)N3CCO[C@H](c4ccncc4)C3)ccc2o1 257307257 SXWVMSVFDHNLOB-SFHVURJKSA-N 322.364 3.350 0 40 DGAB CCn1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)cn1 575411047 ZFTKKRNTBCRYPN-UHFFFAOYSA-N 306.325 3.298 0 40 DGAB O=[N+](NOCc1ccccc1)c1cccc(Br)c1 585162755 CWPXTPHOOLBVRE-UHFFFAOYSA-N 308.155 3.496 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(N(C)C)c1 47188717 MQOBVOAIKOHULV-PBHICJAKSA-N 304.434 3.078 0 40 DGAB COc1ccc([C@@H](C)NCc2cccc3c2OCO3)c(OC)c1 47702861 IZYOXKAVWYGKDQ-GFCCVEGCSA-N 315.369 3.283 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 585234412 QJOOMSTVBVXCPP-INIZCTEOSA-N 324.428 3.257 0 40 DGAB COc1ccc2cc(CNc3ccc(O)cc3C)c(=O)[nH]c2c1 12144292 IHNCLCOKPRIKKS-UHFFFAOYSA-N 310.353 3.163 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2ccccc2OC)cc1OC 15471977 NJCRWGJDICDPPH-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB Cc1cnc2cc(C3CCN(C(=O)[C@@H]4CC45CCC5)CC3)[nH]c2n1 19239358 XWXKFQZXSMQLNV-AWEZNQCLSA-N 324.428 3.163 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1/SC(=O)NC1=O 1512845 DVGFRENVLAGYMU-YRNVUSSQSA-N 319.773 3.158 0 40 DGAB C[C@H](NC(=O)/C=C/C(=O)N[C@@H](C)c1ccccc1)c1ccccc1 1686394 BWKUFQKDNTWLMO-QKMFHXBFSA-N 322.408 3.297 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3ccnc(C4CC4)n3)C2)n1 1888849720 UZQWKBWPCRIZAG-OAHLLOKOSA-N 324.428 3.353 0 40 DGAB FC(F)(F)c1cccnc1N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1889074441 NMCPGORYMJXRGP-VXGBXAGGSA-N 311.351 3.021 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Cl)s2)c1C 25521231 IBXIVKUUQKEZIR-UHFFFAOYSA-N 310.806 3.479 0 40 DGAB CONC(=O)c1cc(-c2ccco2)n(-c2cccc(Cl)c2)n1 25826607 GWUNHSFZURSDCM-UHFFFAOYSA-N 317.732 3.077 0 40 DGAB CSc1ccccc1C(=O)NCC1CCN(C(C)C)CC1 38582333 NYFHRDUJJJDUED-UHFFFAOYSA-N 306.475 3.259 0 40 DGAB Cc1cccn2cc(-c3ccccc3NC(=O)[C@H]3CCOC3)nc12 206902252 QLJMPZZIXNZTTJ-AWEZNQCLSA-N 321.380 3.285 0 40 DGAB O=C(Nc1ccccc1)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1 100816149 URRLLGNZKJJENH-RYQLBKOJSA-N 320.392 3.318 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)Nc1cccnc1 40520733 JVLHIBKCTRCGDJ-UHFFFAOYSA-N 310.151 3.101 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2c(C)noc2C)cc1OC 40512607 QMBJWSOYPUWTQZ-JTQLQIEISA-N 318.373 3.190 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)C1[C@H]3CCCC[C@H]13)CC2 101401311 GZKLATNJMIAWHC-GJZGRUSLSA-N 315.413 3.025 0 40 DGAB C/C=C/C[S@](=O)Cc1ccc(I)cc1 91517354 DOPSKMRPYDLOAT-BAABZTOOSA-N 320.195 3.116 0 40 DGAB Cc1ccc2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c1 418499 VLSJOJCMZFDGNB-UHFFFAOYSA-N 308.337 3.177 0 40 DGAB Cc1ccc(-c2nnc(N(C)C(=O)c3ccncc3)s2)cc1 1356359 VEEBXOXUYJBDEJ-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCC)c1-c1ccccc1 367550 WFCFVRPMQNZKLE-UHFFFAOYSA-N 301.342 3.344 0 40 DGAB CCOC(=O)[C@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 383173 OKKLBNUKEDLFMD-LBPRGKRZSA-N 318.369 3.303 0 40 DGAB O=C(Nc1nnc(-c2ccc(Br)cc2)s1)C1CC1 4079030 IZQFVVDWELPPOA-UHFFFAOYSA-N 324.203 3.316 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 4967992 WWYYRYOASAVIDJ-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 69709496 OHXRVPGZJIBAHO-OALUTQOASA-N 323.440 3.324 0 40 DGAB COc1ccc(OCCNC(=O)Cc2ccc(Cl)cc2)cc1 7815284 NNGMHIGZSWGQQQ-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C 8495921 OZQIXOUDDMJHMG-MRXNPFEDSA-N 313.397 3.477 0 40 DGAB Nn1c(SCc2c(F)cccc2F)nnc1-c1ccccc1 525833 DARXPSZICMTDRB-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB COc1ccccc1CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 12217076 KUYVGDBZCZQGBD-UHFFFAOYSA-N 324.380 3.225 0 40 DGAB O=C(CCC1CCCC1)Nc1ccc(-n2cncn2)c(F)c1 47244281 OTGFAQGQEXACJR-UHFFFAOYSA-N 302.353 3.315 0 40 DGAB Cc1noc(C)c1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 84025616 JQVZOSXKYGOADW-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB CC(=O)c1ccc(NC(=O)CSc2nccn2C(C)C)cc1 9116066 KMFCRMVPMFASBR-UHFFFAOYSA-N 317.414 3.397 0 40 DGAB Cc1cc2oc(=O)cc(CN(C)Cc3ccccc3)c2cc1O 54105939 PHKVHRNLUBIQSK-UHFFFAOYSA-N 309.365 3.439 0 40 DGAB biogenic CCOc1ccccc1CNS(=O)(=O)c1cc(C)ccc1C 53670884 IYGYRDPWBFZOTM-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB O=C(Nc1ccccc1F)c1cn(-c2ccc(Cl)cc2)nn1 24841244 KGQZPOVGJWVBSF-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CC(C)SCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2 1392163 FOQBPBYBUJWXRK-UHFFFAOYSA-N 313.426 3.322 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC(n2cccc2)CC1 69586334 BCOUXWHUBNAJIY-ROUUACIJSA-N 324.424 3.464 0 40 DGAB Cc1cc(C=O)cc2c1O[C@@]1(C=C2)Oc2ccccc2C(=O)N1C 3209238 WZPKVMPARDSAOA-LJQANCHMSA-N 321.332 3.032 0 40 DGAB CN1CCCC[C@@H]1CCSc1nnc(-c2ccco2)n1C 57652321 HMBJUHKPQBTSAU-GFCCVEGCSA-N 306.435 3.042 0 40 DGAB C[C@@H](N(C)Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)(C)C 27135901 ZJBMJEPKEFQVGF-LLVKDONJSA-N 307.825 3.214 0 40 DGAB COC(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)s1 44859966 DQJJQSLOEDVHBD-NEPJUHHUSA-N 307.415 3.187 0 40 DGAB Cc1cc2oc(=O)cc(CSc3nnc(N)s3)c2cc1C 3347943 IZLNTIRETSOLPL-UHFFFAOYSA-N 319.411 3.136 0 40 DGAB CC(C)Oc1ccccc1NC(=O)[C@H](C)OC[C@@H]1CCCCO1 58323784 ZNLIBVOAJZJPON-GJZGRUSLSA-N 321.417 3.387 0 40 DGAB O=C(Nc1ccc(Oc2cccc(F)c2)nc1)C1CCOCC1 58407350 IIWARUPYQAXNTJ-UHFFFAOYSA-N 316.332 3.378 0 40 DGAB COc1ccc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)cc1 58401294 XELRJATYLRMJPB-CQSZACIVSA-N 300.362 3.177 0 40 DGAB O=C(NCc1nc(-c2cccs2)no1)c1ccc(F)cc1F 58413871 NEIDYFMGGAPMCF-UHFFFAOYSA-N 321.308 3.006 0 40 DGAB COc1ccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)cc1 2349836 XTYDBINEOUEDOP-UHFFFAOYSA-N 317.780 3.015 0 40 DGAB Clc1snnc1CSc1nnc(C2CC2)n1C1CC1 12782326 URTFPALXDINMKB-UHFFFAOYSA-N 313.839 3.288 0 40 DGAB Cc1cc([C@@H]2CCCN2S(=O)(=O)c2ccc(C)c(C)c2)no1 12935672 PZYXYLGIRNCEHB-INIZCTEOSA-N 320.414 3.126 0 40 DGAB CCc1nc(CSc2nnc(N3CCCC3)s2)cs1 64658199 MMJKRRSJRKHJHS-UHFFFAOYSA-N 312.489 3.450 0 40 DGAB Cc1ccc(Nc2nc(NN)nc(Nc3ccccc3)n2)c(C)c1 6275883 RDZOHZHCTWWODD-UHFFFAOYSA-N 321.388 3.261 0 40 DGAB O=C(Nc1ccccc1)N(Cc1ccncc1)C[C@H]1CCCO1 6399685 AYJXLSGIGSJQQY-QGZVFWFLSA-N 311.385 3.295 0 40 DGAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)Nc1ccccc1 6422020 OGAMVTLPKJHBGJ-SNVBAGLBSA-N 318.760 3.106 0 40 DGAB COc1ccc(-c2csc3nc(SC)[nH]c(=O)c23)cc1 4649946 NDXUJCWASPWABE-UHFFFAOYSA-N 304.396 3.382 0 40 DGAB CCOc1ccc(NC(=O)c2ccc3c(c2)OCCCO3)cc1 19169299 WZMNXLOAZAMOSF-UHFFFAOYSA-N 313.353 3.499 0 40 DGAB COC(=O)Nc1cc(NC(=O)c2cc(Cl)ccn2)ccc1F 66489027 VNVDGBCPFRHOMI-UHFFFAOYSA-N 323.711 3.305 0 40 DGAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccc(C)o2)cs1 80819631 UJSFKECXHAAJDN-LLVKDONJSA-N 308.403 3.414 0 40 DGAB Cc1cc(CSc2nnc(-c3ccccc3C)n2C)no1 7834756 HRDPYCJEYILOAX-UHFFFAOYSA-N 300.387 3.379 0 40 DGAB Cc1cc(CN(CCCO)[C@H]2CCCc3ccccc32)no1 81535486 OWXQPAPSZVHAIJ-SFHVURJKSA-N 300.402 3.245 0 40 DGAB COc1cncc(CCC(=O)Nc2ccc3ccn(C)c3c2)c1 96004531 JNKXUDBMTKWNME-UHFFFAOYSA-N 309.369 3.153 0 40 DGAB CCn1c(C)nnc1S[C@@H](C)C(=O)c1cc(F)ccc1F 70040418 PUTDXNHSOUTESI-QMMMGPOBSA-N 311.357 3.248 0 40 DGAB COc1cc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)ccc1C 69349762 WLLMVIFRWPMVRV-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB CC[C@@H](C)Cc1c(C)sc2nc(CN3CCCC3)[nH]c(=O)c12 9584836 LDBZBUBOCCQXMJ-LLVKDONJSA-N 319.474 3.477 0 40 DGAB O=C(C1CC1)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 71883401 JUFMQZUQWRKAOS-ZDUSSCGKSA-N 318.175 3.442 0 40 DGAB O=C(CCn1ccc2ccccc21)N[C@H]1CCC[C@H]1n1ccnc1 71812659 OFEIGGCORSRHSA-FUHWJXTLSA-N 322.412 3.138 0 40 DGAB CC[C@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)CCO1 94597637 KAROFDYSRCUVMZ-JTQLQIEISA-N 305.271 3.096 0 40 DGAB CCO[C@@H]1C[C@H](N[C@@H]2CCCn3nc(C(C)C)nc32)C1(C)C 97034650 LMLJOYQFPRFQSL-HZSPNIEDSA-N 306.454 3.030 0 40 DGAB COc1cccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)c1 72298955 UHTCBGGURJSECV-CQSZACIVSA-N 316.426 3.480 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 78578359 AZYRYULVEGKNQP-KDOFPFPSSA-N 311.381 3.321 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)CCCN1CCOCC1 84647622 KYFBDHZKAVJFRX-HNNXBMFYSA-N 302.418 3.148 0 40 DGAB Cc1cnccc1CCNC(=O)N[C@@H](C)c1ccc(F)c(F)c1 95437987 RIFJFQHVJGLRDS-LBPRGKRZSA-N 319.355 3.271 0 40 DGAB CC[C@@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccncc1 95995206 KRTRUOOFQRWOKR-KGLIPLIRSA-N 305.422 3.178 0 40 DGAB O=C(NC1CCC(c2ccccc2)CC1)C1(O)CCSCC1 95979170 ZLBLMEYTTRXTAQ-UHFFFAOYSA-N 319.470 3.087 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)NCc2nc(C)c(C)o2)C1 89275097 HTEUBWJDKLGKNC-OLZOCXBDSA-N 311.451 3.155 0 40 DGAB CCS(=O)(=O)CCN[C@@H]1CCc2c(Cl)cc(Cl)cc21 89701227 OYAJAFLLEMOFHK-CYBMUJFWSA-N 322.257 3.005 0 40 DGAB O=C(NC[C@H]1Cc2ccccc21)c1cnc([C@H]2CCCO2)s1 89759203 RYIWFXXYSDNATH-TZMCWYRMSA-N 314.410 3.064 0 40 DGAB CC(C)OC(=O)N1CCC(Nc2nnc(C(C)C)s2)CC1 89893815 SXSDCMNUBMOKLF-UHFFFAOYSA-N 312.439 3.083 0 40 DGAB Cc1cc(NC(=O)CSc2ccccc2)cc(C(=O)O)c1O 20151166 XZCVVVOBHFQYAW-UHFFFAOYSA-N 317.366 3.130 0 40 DGAB Cc1cccc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)n1 27980401 RYWUKHOGQQXIMS-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB CCCSc1ccccc1C(=O)N1CCC(C(=O)OC)CC1 20595752 CTHZWXDNIGLVAK-UHFFFAOYSA-N 321.442 3.214 0 40 DGAB OC[C@@H](Cc1ccccc1)NCc1ccccc1C(F)(F)F 24269354 VOXDILDMGONGDK-OAHLLOKOSA-N 309.331 3.399 0 40 DGAB CC(C)[C@@H](C)Nc1cnn(Cc2ccccc2)c(=O)c1Cl 68836996 FSNUCGVFKAIYBR-GFCCVEGCSA-N 305.809 3.401 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 38755242 YQSODPWLNIMRLL-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB CCOC(=O)c1c(C)nn(-c2ccc(Br)cc2)c1C 34052954 JHVCXVCFVRQYKH-UHFFFAOYSA-N 323.190 3.428 0 40 DGAB C[C@H](CN(C)C)Nc1ncc(-c2ccco2)c(-c2ccco2)n1 72396884 LFEXBBLTYRQECD-GFCCVEGCSA-N 312.373 3.359 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)c(C)c1 78578367 AZYRYULVEGKNQP-RDTXWAMCSA-N 311.381 3.321 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226691266 HFPGREXJLCMVAK-FKGLVLAHSA-N 301.773 3.350 0 40 DGAB C[C@H]1C[C@H]1C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48344945 NETOMWBLWZCCJP-OAFZBRQQSA-N 314.473 3.437 0 40 DGAB C[C@@H]1CCCN(c2ncc3c(n2)CN(C2CCCCC2)C3=O)C1 46088833 JYRBLPNITVVEIQ-CYBMUJFWSA-N 314.433 3.001 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)NCc1ccc(F)cc1 44883560 IYTQKESNJYKQRO-UHFFFAOYSA-N 313.781 3.099 0 40 DGAB Cc1ccc(NC(=S)NCCCOC2CCCCC2)nc1 225618680 YSUFIEXBNBICLH-UHFFFAOYSA-N 307.463 3.416 0 40 DGAB C[C@H](CNC(=O)CCc1ccncc1)Oc1ccc(Cl)cc1 96431967 RBODQYJKPSNCIP-CYBMUJFWSA-N 318.804 3.251 0 40 DGAB Cc1ocnc1C(=O)N[C@H]1CCCOc2cc(Cl)ccc21 96493036 UPVGFSOORLOBCF-LBPRGKRZSA-N 306.749 3.280 0 40 DGAB COc1ccc(C(C)(C)CNC(=O)CC(F)(F)F)cc1OC 96404521 YQVXCGZBMSBOAA-UHFFFAOYSA-N 319.323 3.050 0 40 DGAB CN(c1ccccc1)C1CCN(c2cncc(Cl)n2)CC1 96453759 WMDVGOBURAZYLS-UHFFFAOYSA-N 302.809 3.235 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)NCc2ncc(C)s2)cc1 95404530 IBWMTFTZXWMGRP-LBPRGKRZSA-N 319.430 3.027 0 40 DGAB Cc1csc([C@@H](NC(=O)c2cccc(N(C)C)c2)C2CC2)n1 96425469 DEYRKXGGVAXBBF-HNNXBMFYSA-N 315.442 3.399 0 40 DGAB CCCn1ccc2cc(NC(=O)NC[C@H](C)CCO)ccc21 96434659 IKDHHNMCRFYVAV-CYBMUJFWSA-N 303.406 3.191 0 40 DGAB CCOC[C@@H]1CN(Cc2cccs2)Cc2nn(CC)cc21 96068694 YFVONBFNBGDPMT-ZDUSSCGKSA-N 305.447 3.100 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNC1CCN(C[C@H]2CCOC2)CC1 248430881 WNBOKGZMGSWSCE-SCTDSRPQSA-N 306.494 3.069 0 40 DGAB O[C@@H](C1CCN(Cc2ccc3ncccc3c2)CC1)C(F)(F)F 538750265 NJPZRBHEJYBSID-INIZCTEOSA-N 324.346 3.370 0 40 DGAB CC(C)CO[C@H](C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 42474547 GWQMZRDRKGAYME-GFCCVEGCSA-N 304.390 3.035 0 40 DGAB COc1ccc([C@H]2OCC[C@@H]2N[C@H](C)c2ccsc2)cn1 585090428 MVBRNSBFHSUGQX-DIOULYMOSA-N 304.415 3.333 0 40 DGAB Cn1c(CNCc2ccc(C(F)(F)F)cc2)cnc1Cl 585091221 MSLBMZDRCOUWPR-UHFFFAOYSA-N 303.715 3.382 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 257296336 RCIHYUFDLZIDKG-ZDUSSCGKSA-N 309.369 3.402 0 40 DGAB CN(C)c1ccc(CCNC(=O)CSC2CCCC2)cc1 96025670 HSXJUEQDNNMUCB-UHFFFAOYSA-N 306.475 3.087 0 40 DGAB O=C(Nc1nc([C@@H]2CCCN2)cs1)c1cccc(Cl)c1 585266816 QDQCZBJXMBFPFR-NSHDSACASA-N 307.806 3.473 0 40 DGAB O=C(NCc1cccs1)[C@H](c1ccccc1)N1CCCC1 57777006 HGXVRVJVOPIYKL-INIZCTEOSA-N 300.427 3.201 0 40 DGAB CC(=O)NCc1ccc(-n2nc(C)cc2C)cc1C(F)(F)F 58061102 YIEUAEYMTNKHAI-UHFFFAOYSA-N 311.307 3.144 0 40 DGAB COC(=O)c1cc(F)ccc1CN(C)Cc1cnc(C)s1 69701753 YSKZHDJKIIQEPT-UHFFFAOYSA-N 308.378 3.009 0 40 DGAB Cc1c(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cnn1C 69896096 ZKRPABZVNHUIIE-INIZCTEOSA-N 301.365 3.139 0 40 DGAB O=c1cc(CN2C[C@H]3CCCC[C@]32c2ccccc2)occ1O 95426349 FBOWZYBKCSQSRU-BEFAXECRSA-N 311.381 3.247 0 40 DGAB CSc1nc2nc(C)c(-c3cccc(Cl)c3)c(N)n2n1 13638139 RNFAVNFURQGDCF-UHFFFAOYSA-N 305.794 3.057 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC)cc2)c1C 13649527 CHOAMKMSZUTADN-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CC(=O)c1ccc(NC(=S)NCCc2cccs2)cc1 16265654 HTMPWNCKBFBTNU-UHFFFAOYSA-N 304.440 3.480 0 40 DGAB O=c1[nH]n(-c2ccccc2)c(=O)c2cc(-c3ccccc3)ccc12 16493254 OYBJWAQWMGSTGI-UHFFFAOYSA-N 314.344 3.346 0 40 DGAB CC[C@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 5120497 RCNSVVFHLUSVRQ-ZETCQYMHSA-N 315.744 3.436 0 40 DGAB Cc1ccc(CN2C=NS(=O)(=O)c3ccc(C)cc32)cc1 21661388 OKMGJYFJQVNMAF-UHFFFAOYSA-N 300.383 3.041 0 40 DGAB O=C(Nc1cccc2cccnc12)N1CC[C@@H](OCC2CC2)C1 575618302 LDGMLZWXQTWTFJ-OAHLLOKOSA-N 311.385 3.268 0 40 DGAB Cc1c(C)n(CC(C)C)c2ncn(Cc3ccncc3)c(=N)c12 101469420 LAJFUYQIHXEZFI-UHFFFAOYSA-N 309.417 3.033 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2nnc(C3CC3)n2C)c1 411075 NVWQUDYJDBVDQX-UHFFFAOYSA-N 316.430 3.040 0 40 DGAB O=C1C2=C(SCCS2)C(=O)N1c1cccc2ccccc12 1560503 BMKGFVGBPGPDLM-UHFFFAOYSA-N 313.403 3.405 0 40 DGAB Nc1c(-c2cc(=O)c(O)co2)sc2nc3c(cc12)CCCC3 101787963 NDDCTHZWKWPDKU-UHFFFAOYSA-N 314.366 3.083 0 40 DGAB CN(Cc1ccccc1N1CCCC1)C(=O)c1ccccc1O 52398198 JXQJJWIVCSBARO-UHFFFAOYSA-N 310.397 3.265 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)NC1CCC(C)CC1 2782343 UJOPVHUKUADCAJ-CKBZRRDASA-N 317.355 3.466 0 40 DGAB CC[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCOC(C)C 8478123 MFRHQHYOYSELFI-OAHLLOKOSA-N 313.825 3.429 0 40 DGAB C[C@@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccccc1 89905678 AWHMMQYPCHLFFK-SNVBAGLBSA-N 303.387 3.099 0 40 DGAB CC(C)(C)c1ccc(CCC(=O)NCCCn2ccnc2)cc1 10313967 BSVSBZAYTYWAME-UHFFFAOYSA-N 313.445 3.320 0 40 DGAB CC(=O)NCc1ccc(C(=O)N(Cc2ccccc2)C(C)C)cc1 22197932 OMGUAKCRYUHLAU-UHFFFAOYSA-N 324.424 3.374 0 40 DGAB O=C(O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 33413888 OKFLMULEFDZLKG-FUHWJXTLSA-N 309.365 3.251 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 101275323 UUXYQVKWXYRPFZ-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1ccsc1C(=O)NC[C@@H](C)N1CCc2ccccc21 76147662 IFCWTHNCMKZUGZ-CYBMUJFWSA-N 300.427 3.238 0 40 DGAB C[C@@H]1C[C@]2(CO)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 118928802 OXYCLRYUYLGPSO-PMYVOLMYSA-N 320.473 3.178 0 40 DGAB O=C1NC2(CCCCCCC2)C(=O)N1CN1CCCCCCC1 56552744 LVNSWZRLHNWRMC-UHFFFAOYSA-N 321.465 3.245 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(C3CC3)on2)c1 26176303 BNTYZVSAILAZHA-SNVBAGLBSA-N 316.357 3.060 0 40 DGAB O=C1NCCCC[C@H]1Sc1nc2ccccc2n1C(F)F 26417252 IJNQLPWKHXNWJF-LLVKDONJSA-N 311.357 3.192 0 40 DGAB O=C(c1ccc(Cl)cc1)c1c(O)c2ccccc2oc1=O 1720848 IVGQWQSHAJWMKL-UHFFFAOYSA-N 300.697 3.383 0 40 DGAB CCCCn1nnnc1CN(Cc1ccco1)C1CCCC1 48286894 LGLZDJWHHXBWQO-UHFFFAOYSA-N 303.410 3.011 0 40 DGAB C[C@H](NC(=O)N[C@H](C)[C@@H]1CCCO1)c1ccc(Cl)s1 44955388 WUVYJPFEHNNJHR-UTLUCORTSA-N 302.827 3.329 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]2CCCC[C@H]21 58330787 VCMMXBRKCAIZTI-GDBMZVCRSA-N 310.401 3.062 0 40 DGAB COCc1ccc(CNC(=O)c2nccc3ccccc23)cc1 58426430 KQTZAWMCXBFASD-UHFFFAOYSA-N 306.365 3.311 0 40 DGAB CC(C)CNC(=O)CSc1nc(C2CC2)nc2ccccc12 10940627 CWYNPCLTXXQFBQ-UHFFFAOYSA-N 315.442 3.372 0 40 DGAB O=C1N[C@@H](c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc21 10950903 WGJORPPSGABNPC-YJBOKZPZSA-N 324.380 3.099 0 40 DGAB O=C(CSc1ncc2ccccn12)Nc1ccc(Cl)cn1 36666351 RMLOXXYABRXKQX-UHFFFAOYSA-N 318.789 3.114 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)c2ccc3c(c2)CCC3)cn1 36718497 YLOMMMSJYKAQGZ-ZDUSSCGKSA-N 309.365 3.307 0 40 DGAB Cc1cccc2sc(NC(=O)CCN3CCSC3=O)nc12 12814674 NPYDBSRUVRWPTF-UHFFFAOYSA-N 321.427 3.102 0 40 DGAB Cc1ccc2c(CSc3cccc[n+]3[O-])cc(=O)oc2c1C 3405524 UGZIFOCKMNONIY-UHFFFAOYSA-N 313.378 3.336 0 40 DGAB CS(=O)(=O)/N=C(\O)CCCc1ccc(Cl)c(Cl)c1 48487314 BHAGMPULRHUNTM-UHFFFAOYSA-N 310.202 3.232 0 40 DGAB Cc1nc(C2(NC(=O)/C=C/c3cccs3)CCCCC2)no1 13002714 VWYDQYLFIVBYTH-BQYQJAHWSA-N 317.414 3.429 0 40 DGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1O 5077794 LIVHIZYCIBZUBY-UHFFFAOYSA-N 314.381 3.335 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2ncccc2C(=O)O)c1 4213084 RLDOUQCKWUTHTQ-UHFFFAOYSA-N 316.382 3.127 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69583945 CSDATQFJVZTOHK-SMDDNHRTSA-N 304.390 3.306 0 40 DGAB O=C(CCN1CCC[C@H]1c1ccc[nH]1)N1CCc2ccccc21 69557316 VMWXNPNFIYURHS-SFHVURJKSA-N 309.413 3.131 0 40 DGAB O=C([C@H]1CCOC1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69530121 QIMDHLTXEJYVLV-SMDDNHRTSA-N 313.319 3.405 0 40 DGAB CC1(C)CC(=O)c2cnc(SCC(=O)C(C)(C)C)nc2C1 5191022 DCBMPFMFWPATPS-UHFFFAOYSA-N 306.431 3.339 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-n3cccc3)cc2)cn1 69628699 QKWGYZMLRWXLIL-SFHVURJKSA-N 320.396 3.188 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69660235 YLCKVTOVRUKZCJ-SJLPKXTDSA-N 309.413 3.167 0 40 DGAB Cc1cc(NC(=O)COc2cc(Cl)ccc2Cl)n(C)n1 14021595 YWQFDYDZCFBLMP-UHFFFAOYSA-N 314.172 3.053 0 40 DGAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)cc1F 14169386 WAYOBWVIQHXCAL-UHFFFAOYSA-N 303.362 3.124 0 40 DGAB CC(=O)c1cnn(-c2cc(NC3CCCCC3)nc(C)n2)c1C 5428410 DEZGHHDSTVTIEA-UHFFFAOYSA-N 313.405 3.226 0 40 DGAB Cc1cccc(NC(=O)c2ccccc2NC(=O)c2ccco2)n1 4608287 RGKFRPDJXVRTTG-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB CCOc1cccc(NC(=O)c2cc3ccccc3o/c2=N\O)c1 4673016 WBQPHBGYUJOULN-ZZEZOPTASA-N 324.336 3.374 0 40 DGAB CCOc1ccc(N[C@H](C)C(=O)Nc2nc(C)cs2)cc1 7460418 PYQCCQSRLOIATJ-LLVKDONJSA-N 305.403 3.289 0 40 DGAB COc1cccc(-c2nnc(SC(=O)c3ccco3)o2)c1 408655607 LCUJXYRUUJQARM-UHFFFAOYSA-N 302.311 3.271 0 40 DGAB O=C(Nc1ccc2nsnc2c1)c1ccc(Br)o1 15841328 ZXBVQSQNOTZIPX-UHFFFAOYSA-N 324.159 3.299 0 40 DGAB Cc1cccc([C@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 65473938 HFGLMMADULBIHO-GOSISDBHSA-N 308.429 3.114 0 40 DGAB CC[C@H](C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccccc1 80717751 JROAROUZHHVTNL-FBVQUNGASA-N 300.446 3.312 0 40 DGAB c1ncc(CN2CCC[C@H](c3nc4c(s3)CCCC4)C2)[nH]1 93840955 XADQWUJHDBOQFL-LBPRGKRZSA-N 302.447 3.125 0 40 DGAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@@H]1CCSC1 96485108 WDSHLJZNUJULLC-CYBMUJFWSA-N 307.463 3.339 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc4ncccc4c3)ccc21 71800119 YIQFNWCGSRQFJF-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2SCC(N)=O)cc1 9691157 JYKRHBMDUUQEMI-UHFFFAOYSA-N 314.410 3.079 0 40 DGAB CNC(=O)CC1CCN(c2c(C)c(C)nc3ccccc23)CC1 97085979 USZDNMSGXPGDGP-UHFFFAOYSA-N 311.429 3.204 0 40 DGAB CC(C)Cc1nnc([C@@H](C)N2CCC(N3CCCCC3)CC2)o1 72275449 AKQOHDXXYQRQNJ-OAHLLOKOSA-N 320.481 3.279 0 40 DGAB C[C@H](NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(F)c(F)c1 72294914 PCTOKOFXSAXPGV-NDMCHQMPSA-N 324.371 3.139 0 40 DGAB CCc1nc(CN2CC[C@H](CNc3cccc(C)n3)C2)cs1 97200927 JXWFPTKTCGOMLK-CQSZACIVSA-N 316.474 3.343 0 40 DGAB CC[C@@H](C)C(=O)Nc1cc(C(=O)OC)n(Cc2ccccc2)c1 78947324 TYTQOSNAMWUGSF-CYBMUJFWSA-N 314.385 3.308 0 40 DGAB CCCCc1csc(C(=O)N2CC(=O)Nc3ccccc32)n1 95348706 CMUNDHAHYLFEGU-UHFFFAOYSA-N 315.398 3.085 0 40 DGAB O=C(Cc1cccc(O)c1)N1CCC[C@@H](Nc2ccccc2)C1 95427247 UUVAIHFCYWPOTO-QGZVFWFLSA-N 310.397 3.038 0 40 DGAB COc1ccc(CSc2nnc(N)n2C2CC2)cc1Cl 95435770 QRHVXEAKTRZKQV-UHFFFAOYSA-N 310.810 3.150 0 40 DGAB CCN(Cc1cccs1)C(=O)[C@@H](C)[C@H](N)c1ccccc1 95965551 UMTRBIKZTWMGPA-BBRMVZONSA-N 302.443 3.433 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N(C)CC[C@@H]1CCC[C@H](C)C1 89124965 GRPOQHVFFFHRNV-FZMZJTMJSA-N 314.451 3.128 0 40 DGAB Cc1c(C)n(C[C@@H](O)CNCc2ccco2)c2ccc(F)cc12 28297183 LBQVPLSLINQRDH-HNNXBMFYSA-N 316.376 3.141 0 40 DGAB Cc1ccc(OCc2nc(CC(=O)NC(C)C)cs2)cc1 32193231 JYVZGTDVVBBTRF-UHFFFAOYSA-N 304.415 3.098 0 40 DGAB COc1cccc(C(=O)Nc2cccc(-c3nc(C)no3)c2)c1 33012763 UBESVXUYNJUKGZ-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C(CNc1ccccc1)Nc1ccc(Br)cc1 3845055 QBOZNGFKCKAOGZ-UHFFFAOYSA-N 305.175 3.500 0 40 DGAB biogenic COc1ccc2cc(CNc3ccc(N(C)C)cc3)c(=O)[nH]c2c1 72396076 HTMDNCQYXJBJIA-UHFFFAOYSA-N 323.396 3.215 0 40 DGAB c1cnc(Nc2nccnc2[C@@H]2CCCN2C2CCCC2)cn1 72363425 HNWFBIMAMJSTNV-AWEZNQCLSA-N 310.405 3.090 0 40 DGAB CC1(C)OCC2(CO1)CN(C(=O)c1cccc3ccccc13)C2 70971654 FQHRROILPMUSJI-UHFFFAOYSA-N 311.381 3.065 0 40 DGAB COc1ccc(CCC(=O)Oc2ccc3c(c2)ncn3C)cc1 70974261 FIFQDJWLLMZPRX-UHFFFAOYSA-N 310.353 3.120 0 40 DGAB CC[C@](O)([C@@H]1CCCCN1C(=O)OC(C)(C)C)C(F)(F)F 72208722 AFRKPSLKWVQPJF-GWCFXTLKSA-N 311.344 3.479 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3cccs3)=NO2)C1 226747859 NIIBMPUBSRZPEX-XHBSWPGZSA-N 306.431 3.136 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(F)s1 225387917 LUIUMGRPLRFGBV-UHFFFAOYSA-N 301.364 3.005 0 40 DGAB Cc1cccc(NC(=O)NCC2CCC3(CC2)OCCO3)c1F 192419074 AEVAXWAMVXHFSO-UHFFFAOYSA-N 322.380 3.189 0 40 DGAB COc1ccc(CCC(=O)NCCc2ccc(F)cc2)cc1C 225127118 NZGOJUCOJFLYDN-UHFFFAOYSA-N 315.388 3.434 0 40 DGAB CS(=O)(=O)c1cccc(Oc2ccc(C(F)(F)F)cn2)c1 225589207 NERFHGSHZUTOIS-UHFFFAOYSA-N 317.288 3.296 0 40 DGAB CN(Cc1ccco1)C(=O)CSCc1noc2c1CCCC2 225792273 ATQAINAXRXGKOP-UHFFFAOYSA-N 320.414 3.038 0 40 DGAB Cc1occc1C(=O)N1CCCC[C@@H]1c1nc(C(C)C)no1 40714539 NSSBXHIHSRLOGV-CYBMUJFWSA-N 303.362 3.462 0 40 DGAB O=C(C1CCCC1)N1CC[C@H](NCc2sccc2Cl)C1 225611220 NXYCQKFOIDHFKC-LBPRGKRZSA-N 312.866 3.282 0 40 DGAB Clc1ccccc1-c1nnc2sc(-c3csnn3)nn12 40267138 JMXBJRHLAXFNFA-UHFFFAOYSA-N 320.790 3.025 0 40 DGAB O=C(Nc1cccnc1N1CCCC1)N[C@H]1CCCC(F)(F)C1 331744088 WZKHLCBZGBCISW-LBPRGKRZSA-N 324.375 3.381 0 40 DGAB C[S@](=O)c1ccc(CNc2ccc(OC(F)F)cn2)cc1 91734895 LDKBTHBXWYMVIZ-OAQYLSRUSA-N 312.341 3.033 0 40 DGAB C[C@H]1C[C@@H](NCCCc2nnc3n2CCCCC3)CC[C@H]1C 97379710 NZESBEXDLJZPLV-PMPSAXMXSA-N 304.482 3.351 0 40 DGAB Cc1ccc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)cn1 96439118 YJYUGROTLGULRC-QGZVFWFLSA-N 309.413 3.164 0 40 DGAB Cc1cc(O)ccc1NC(=O)Cc1ccn(-c2ccccc2)n1 96462559 OIKCHKBEUGQFMA-UHFFFAOYSA-N 307.353 3.068 0 40 DGAB CC1CCN(C2CCC(N[C@@H]3C[C@H](C)N(C)C[C@H]3C)CC2)CC1 245287294 BVJNWHFPUQUQPY-QWRMLLQVSA-N 321.553 3.348 0 40 DGAB CC(C)CO[C@H](C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 585090962 GGTUTBXZLGHFNX-GFCCVEGCSA-N 312.435 3.045 0 40 DGAB C[C@@H]1CCC(C)(C)N1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 585120117 SLFFKORXYTUQFP-GFCCVEGCSA-N 315.417 3.390 0 40 DGAB O=C(O)c1cccc(CN2CCC[C@@]3(C2)OCc2ccccc23)c1 263378142 AZZJPFFYQSWXRO-FQEVSTJZSA-N 323.392 3.406 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260890326 CCHXFRAQAFGXOH-RYQLBKOJSA-N 309.413 3.158 0 40 DGAB O[C@@H]1[C@@H](NC2CCCCC2)CCC[C@H]1Oc1ccc(F)cc1 585283823 FBFKWMNMWLGQPH-RCCFBDPRSA-N 307.409 3.409 0 40 DGAB CC[C@H](NC(=O)NCc1csc(C)n1)c1ccccc1OC 45343828 XOZOVGKMWPQWBO-AWEZNQCLSA-N 319.430 3.411 0 40 DGAB CCOC(=O)C[C@H](C)n1cc(Br)c(C(F)F)n1 685936568 HERHAIARZDYREQ-LURJTMIESA-N 311.126 3.097 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)N[C@H](C)c1ccc(Cl)s1 49153320 VGBRKNKNFFQFML-VHSXEESVSA-N 312.826 3.047 0 40 DGAB Cc1ccccc1CCN[C@H](c1cccc(F)c1)P(=O)(O)O 12949454 GSBWMRDNCLQWQI-INIZCTEOSA-N 323.304 3.143 0 40 DGAB C[C@@H](NC(=O)CCC1CCCC1)c1nc(-c2ccncc2)n[nH]1 12114827 QQACBPXKUDBRLU-GFCCVEGCSA-N 313.405 3.014 0 40 DGAB O=C(NCc1nnc(Nc2ccccc2)s1)c1ccccc1 35681783 PYNHDPNIMXZDRL-UHFFFAOYSA-N 310.382 3.212 0 40 DGAB Cn1cccc1C(=O)OCC(=O)Nc1ccc(C(C)(C)C)cc1 2662132 QPNLFTFDYAMCPN-UHFFFAOYSA-N 314.385 3.118 0 40 DGAB COc1ccc(C)c2sc(NC(=O)c3cc(C)no3)nc12 12422444 JKJKRNBEDLUPHJ-UHFFFAOYSA-N 303.343 3.162 0 40 DGAB CCCC(=O)Oc1ccccc1NS(=O)(=O)c1ccccc1 3219045 YJDQNDWHIICKBC-UHFFFAOYSA-N 319.382 3.193 0 40 DGAB COc1cc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 519524 JVGXICUTXHMMNN-XRJOUIEWSA-N 318.413 3.299 0 40 DGAB biogenic Cc1ccccc1CS(=O)(=O)N1CCCc2ccccc21 10449624 RBGBHWZZSBEJOP-UHFFFAOYSA-N 301.411 3.278 0 40 DGAB O=C(NCCc1ccccc1O)Nc1nc2ccccc2s1 40150067 HIPYIZHFMUPJKL-UHFFFAOYSA-N 313.382 3.366 0 40 DGAB O=C(CCC(=O)N1CCn2c1nc1ccccc12)c1ccccc1 30793508 BEYWSWYXBDZLLI-UHFFFAOYSA-N 319.364 3.046 0 40 DGAB Cc1c(C(=O)NCCC2=CCCCC2)cnn1-c1ccccn1 40506063 HLOSEALIBXNANO-UHFFFAOYSA-N 310.401 3.196 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H]2COc3ccccc3C2)cc1C 8328707 FVMLCSMMXRVVAS-QGZVFWFLSA-N 309.409 3.213 0 40 DGAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)c(C)c1 316909 XZOYSIZUFBMFNF-IBGZPJMESA-N 309.365 3.025 0 40 DGAB Cc1nc(SCC(=O)NCC2CCCCC2)nc(C)c1C 2661212 XPHPEAHKRKQJOO-UHFFFAOYSA-N 307.463 3.190 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(N(C)C)cc2)cc1 3400678 YGLHWRAEAJAOAU-CQSZACIVSA-N 311.381 3.489 0 40 DGAB COC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 4064839 JXLWJCVCHNLVIM-BQFCYCMXSA-N 319.401 3.130 0 40 DGAB biogenic Cc1nnsc1C(=O)Nc1ccc(SC(F)F)cc1 4584535 CYFATHWLTMDRGY-UHFFFAOYSA-N 301.343 3.414 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@@H]1CC=CCC1 6290959 HWXHNFPFFSKJHL-GFCCVEGCSA-N 307.777 3.486 0 40 DGAB OC1CCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 6321088 FTJOELYHBMONGX-UHFFFAOYSA-N 305.230 3.147 0 40 DGAB Cc1ccccc1-c1nnc2sc(NC(=O)CC(C)C)nn12 6818191 MYJJMYGUXDFVLM-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB O=S(=O)(NCCc1ccccc1)c1ccc2c(c1)CCCC2 7308357 NFPJFCJNGXJGPE-UHFFFAOYSA-N 315.438 3.086 0 40 DGAB O=C(CCSc1ccccc1F)NCCc1ccccn1 53576443 YJOGXXCRJIKCCQ-UHFFFAOYSA-N 304.390 3.062 0 40 DGAB CCOC(=O)C(=CNc1c(C)cc(C)cc1C)C(=O)OCC 3096015 DJVNEBATWTWRFG-UHFFFAOYSA-N 305.374 3.034 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(OC(F)F)c(F)c1 47713798 LQFHOCPSMGJSSI-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB COc1ccc(OCCNC(=O)N2CCCCCCC2)cc1 54377448 LTLDQOFMHUEITH-UHFFFAOYSA-N 306.406 3.050 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1ccc(F)cc1Cl 1397320 JCCMOFWUTOIBPU-UHFFFAOYSA-N 305.692 3.207 0 40 DGAB CCOc1ncccc1C(=O)N(C)C1C2CC3CC(C2)CC1C3 24925020 UXLXIVWBHCDHTR-UHFFFAOYSA-N 314.429 3.377 0 40 DGAB COc1ccccc1CN[C@H](C)c1ccc2c(c1)CCC(=O)N2 47827933 NZIPTBFNGOBCHR-CYBMUJFWSA-N 310.397 3.431 0 40 DGAB NC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc2ccccc12 57753531 KZNWZDMCGJBRMN-HXUWFJFHSA-N 316.404 3.252 0 40 DGAB C[C@]12C[C@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118933294 GKKUXCSIYRLCSI-CZPVDLIWSA-N 320.473 3.032 0 40 DGAB CCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1)C2=O 2029110 IVCCHSASNFDWCQ-UHFFFAOYSA-N 323.348 3.362 0 40 DGAB CCCS(=O)(=O)Nc1cccc(NC(=O)CC(C)C)c1C 58293468 SEDQKYATWIXGAV-UHFFFAOYSA-N 312.435 3.131 0 40 DGAB CSc1nc(-c2ccco2)nc(C)c1C(=O)NC1CCCC1 58227938 LZMJLCIRVLJYNJ-UHFFFAOYSA-N 317.414 3.439 0 40 DGAB O[C@@H]1CCCc2c(OCc3nnc(-c4ccco4)o3)cccc21 44907299 KZZIDKJMLPZDAF-CYBMUJFWSA-N 312.325 3.278 0 40 DGAB O=C(NCCc1cccnc1)N1CCC[C@@H]1c1cccs1 44967872 BWRKMYWNVCCIRK-CQSZACIVSA-N 301.415 3.232 0 40 DGAB CCc1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1 12978540 DTKYTWKUHSQQKL-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB Cn1ccnc1SCC(=O)Nc1cc(Cl)cc(Cl)c1 4114052 IXFMILQEUFFVIX-UHFFFAOYSA-N 316.213 3.458 0 40 DGAB Cc1c(C(=O)NC[C@H](c2ccco2)N(C)C)oc2ccccc12 13655671 WPGNJYMATYPSTJ-CQSZACIVSA-N 312.369 3.367 0 40 DGAB O=C(c1nccc2ccccc12)N(Cc1cccnc1)C1CC1 6670743 FANMKLKUBWWFHF-UHFFFAOYSA-N 303.365 3.435 0 40 DGAB Cc1csc([C@H](C)NCc2nc(-c3cccs3)no2)n1 96014075 YQQVURZDYGZQMX-VIFPVBQESA-N 306.416 3.414 0 40 DGAB Cn1c(SC[C@H]2CC2(Cl)Cl)nnc1-c1ccncc1 7214450 NBSRRUJDKGYITH-SECBINFHSA-N 315.229 3.163 0 40 DGAB Cc1c(C(=O)OCC(=O)NC(C)(C)C)sc2ccccc12 7567896 AJSZFFKWWFBGFJ-UHFFFAOYSA-N 305.399 3.281 0 40 DGAB CC(C)(CO)CCCNC(=O)N1CCc2ccc(Cl)cc2C1 90591871 WIHQNTOYPFDCBM-UHFFFAOYSA-N 324.852 3.206 0 40 DGAB Cc1ccc(CCNC(=O)c2noc(-c3ccc(C)cc3)n2)cc1 96105661 HGWCEEJHCQDTPY-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB c1cn(Cc2ccc(CNc3nc(C4CC4)ns3)cc2)cn1 80948921 MMMRDICBSZWFQS-UHFFFAOYSA-N 311.414 3.272 0 40 DGAB C[C@H](NCCC1=CCOCC1)c1occc1Br 90809453 NTYWCNIQYDKRBH-JTQLQIEISA-N 300.196 3.430 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@@H](C)Cc2ccsc2)n1 81598802 HPUFTOQVBQFOAE-NSHDSACASA-N 309.460 3.015 0 40 DGAB C[C@H]1CCCCN1CCCNC(=O)c1cn(C)c2ccccc12 8169809 KOVWJOIGWQSTFB-HNNXBMFYSA-N 313.445 3.173 0 40 DGAB COCCOCc1cccc(NC(=O)NC[C@H]2CC=CCC2)c1 69181577 GHJBTIVUIMUTGD-HNNXBMFYSA-N 318.417 3.327 0 40 DGAB Cc1ccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc1 9418843 VBLMBKUJMSSVPR-GFCCVEGCSA-N 300.358 3.125 0 40 DGAB COc1ccc(CNCc2cc3cccc(OC)c3o2)cc1O 71792627 JUFMCCPTHRUZCF-UHFFFAOYSA-N 313.353 3.445 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 71870836 MLKCDPCOZWEVNA-WMZOPIPTSA-N 323.440 3.339 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1 71824384 XOGYTUSPJCWEBV-QZTJIDSGSA-N 308.381 3.065 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4ccnc4C)C3)cc2n1 71870641 UQRALJKFOHZMAO-AWEZNQCLSA-N 324.384 3.118 0 40 DGAB CCCC(=O)Nc1nnc(CCCOc2ccccc2)s1 9667448 BDLAFJCBGFXJBE-UHFFFAOYSA-N 305.403 3.288 0 40 DGAB COCc1ccccc1C(=O)N1CCN(C)c2cc(F)ccc21 76091244 GHWOCNHHHBZWFX-UHFFFAOYSA-N 314.360 3.069 0 40 DGAB CC(C)n1cnnc1SCc1ccn(-c2ccc(F)cc2)n1 76040551 LNQQJUAIIKIRCM-UHFFFAOYSA-N 317.393 3.476 0 40 DGAB O=C(NC[C@@H]1CCCO1)Nc1cc(-c2ccco2)ccc1F 76082452 QFPKMEVLLXBUEB-LBPRGKRZSA-N 304.321 3.386 0 40 DGAB Cc1cc(C(=O)NCc2c[nH]cn2)c(C)n1C1CCCCC1 76041993 VIVFDMBFIBTLTA-UHFFFAOYSA-N 300.406 3.263 0 40 DGAB OC[C@@H]1CCCN(c2cc(C(F)(F)F)nc3ccccc23)C1 68124900 YQAPBAGFEAPADB-LLVKDONJSA-N 310.319 3.462 0 40 DGAB CCc1oc(C(=O)NCc2noc(-c3ccsc3)n2)cc1C 95414953 WVXRWAZUHRKHAA-UHFFFAOYSA-N 317.370 3.192 0 40 DGAB CC(=O)c1csc(C(=O)Nc2cc(C(=O)O)ccc2C)c1 95424976 FHEZRAFYUYKHDO-UHFFFAOYSA-N 303.339 3.210 0 40 DGAB O=S(=O)(/C=C/c1ccccc1Cl)Nc1ccncc1F 95444312 GUBXNSBOOXWRDD-SOFGYWHQSA-N 312.753 3.287 0 40 DGAB CCn1cc(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)cn1 95440187 FCRYIUQLABIMFP-UHFFFAOYSA-N 308.389 3.178 0 40 DGAB C[C@@H]1CCN(C(=O)COCC(F)(F)F)[C@@H]1c1cccc(F)c1 78972288 MAHFDIBRXKYZKK-YGRLFVJLSA-N 319.298 3.314 0 40 DGAB CCSCCOC(=O)c1ccc2[nH]c(C(F)F)nc2c1 78984616 VIPOLKLQUGURMQ-UHFFFAOYSA-N 300.330 3.410 0 40 DGAB CN(C)c1cc(-c2noc(Cc3ccccc3Cl)n2)ccn1 95959566 GKSXSRPJIISAIC-UHFFFAOYSA-N 314.776 3.442 0 40 DGAB C[C@H](NC(=O)Nc1ccc2nn[nH]c2c1)c1cccc(Cl)c1 79110515 YGGXEUZAGFCQLY-VIFPVBQESA-N 315.764 3.494 0 40 DGAB CCCN(C)C(=O)NCc1csc(-c2ccc(OC)cc2)n1 74930355 SHUSUMLTASPDJM-UHFFFAOYSA-N 319.430 3.370 0 40 DGAB O=C1OCc2nc3cc4c(cc3c(-c3ccccc3)c21)OCO4 26935992 QKXKDMPHCRQYMQ-UHFFFAOYSA-N 305.289 3.301 0 40 DGAB C[C@@H](NC1CCSCC1)c1cnn(Cc2ccccc2)c1 89541675 DFBWFWLONIJJDV-CQSZACIVSA-N 301.459 3.478 0 40 DGAB O=C(c1cscn1)N1CC[C@H](Oc2cccc(Cl)c2)C1 89625596 YBQHMLYGSALFJU-LBPRGKRZSA-N 308.790 3.090 0 40 DGAB CCCN1C(=O)N/C(=C\c2c(OC)ccc3ccccc23)C1=O 409245158 OFCUXWIMCBUZKR-PTNGSMBKSA-N 310.353 3.151 0 40 DGAB Cn1ccs/c1=N\C(=O)c1cc2c(ccc3ccccc32)[nH]1 32760401 DSWITWRGWYJEIZ-ZPHPHTNESA-N 307.378 3.462 0 40 DGAB CC[C@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 36869668 QVHFAMAWDPXLLD-AWEZNQCLSA-N 305.809 3.112 0 40 DGAB c1ccc(-c2nc(N3CCCCC3)cc(-n3cccn3)n2)cc1 300003 PMZKODHHKARWMI-UHFFFAOYSA-N 305.385 3.320 0 40 DGAB c1ccc2c(c1)CN[C@@H](c1ccc3c(c1)OCO3)c1cccn1-2 55028059 MRWBRCPVLMGQSD-IBGZPJMESA-N 304.349 3.399 0 40 DGAB CN(C)C(=O)c1cccc(OC(=O)c2cccc3c2ccn3C)c1 77941307 SZUYWWJTVCFKOR-UHFFFAOYSA-N 322.364 3.099 0 40 DGAB CC[C@@H](CCO)NC(=O)Nc1ccc(SC(F)F)cc1 77658103 MZUDQJAIIDLOGE-VIFPVBQESA-N 304.362 3.284 0 40 DGAB Cc1ccc(CC(=O)N(CC(C)(C)C)CC(F)(F)F)cn1 78878024 VMWUYUFXOHLFRE-UHFFFAOYSA-N 302.340 3.370 0 40 DGAB CC(=O)N1CCC[C@@H]1CCc1ccc(-c2ccccc2F)nn1 72365828 HZHHSXHNIUGSMZ-OAHLLOKOSA-N 313.376 3.226 0 40 DGAB CCOC(=O)c1cc(Br)c(OCC)cc1OCC 39951723 VFCGGEMYFJXBHI-UHFFFAOYSA-N 317.179 3.423 0 40 DGAB O=C(O)[C@H](NCC(F)(F)F)c1cc(Cl)cc(Cl)c1 37973287 UJRAVMPRKYCLAV-MRVPVSSYSA-N 302.079 3.271 0 40 DGAB Cn1ccnc1CN1CC[C@H](Cc2cccc3ncccc23)C1 72367626 ZSIOIIMIXBELFE-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB O=C(NC[C@H]1CCCN1c1ccccn1)c1cccc(Cl)c1 225630430 KRHMORRUOZRRNU-OAHLLOKOSA-N 315.804 3.134 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c1 41447399 PCSVEMAPWMMAEF-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB O=C(CSCc1ccc(Cl)cc1F)NCc1ccccn1 224865803 BRFZPNUDTKNAPR-UHFFFAOYSA-N 324.808 3.424 0 40 DGAB O=C(CN(CCC(F)(F)F)CC1CC1)Nc1ccccc1 84137704 JGVTYGPFXYYHKJ-UHFFFAOYSA-N 300.324 3.290 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)C1 227673820 HRTYOBYRMMYRIO-RHSMWYFYSA-N 300.402 3.207 0 40 DGAB COc1cc(C)c([S@@](=O)Cc2cnc(C)s2)cc1OC 83080167 SBOUWHBSSRVIFC-HXUWFJFHSA-N 311.428 3.085 0 40 DGAB COc1cccc(CN(Cc2ccncc2)C[C@H]2CCCO2)c1 96424620 YFRSHYZOFRBFGA-LJQANCHMSA-N 312.413 3.271 0 40 DGAB CC(=O)c1c(F)cccc1N(C)Cc1ccc([S@@](C)=O)cc1 96453908 PPIPTMRZYAAFMU-QFIPXVFZSA-N 319.401 3.402 0 40 DGAB CCc1ocnc1C(=O)Nc1cccc(Oc2cccnn2)c1 96449714 IWTXUDLAMWQBFO-UHFFFAOYSA-N 310.313 3.072 0 40 DGAB COCc1cc(Oc2cc(Cl)ccc2C)n2ncnc2n1 96429801 NWXFCMZGQZODJI-UHFFFAOYSA-N 304.737 3.025 0 40 DGAB C[C@H]1CCN(S(=O)(=O)c2cccnc2)c2ccccc2S1 95365091 LFDSVBJCPHKJTE-LBPRGKRZSA-N 320.439 3.161 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCCOC1)c1ccc(-c2ccncc2)cc1 96444843 GSELMMLKKJPGCS-RDTXWAMCSA-N 310.397 3.352 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)n1cc(COc2ccccc2)nn1 257173301 JBVLRONKJPJJSM-CQSZACIVSA-N 322.368 3.057 0 40 DGAB Cc1cncc(C2CCN(C(=O)C3(c4ccccc4)CC3)CC2)n1 257307621 SZNHPJYPXAURHN-UHFFFAOYSA-N 321.424 3.223 0 40 DGAB C[C@H](C(=O)NC1(c2ccc(F)cc2)CCOCC1)n1cccc1 252508308 XJPHXXATPOKIFN-CQSZACIVSA-N 316.376 3.010 0 40 DGAB Cc1cc(C(=O)N2CCN(C)c3ccccc32)nn1[C@@H](C)C1CC1 390834107 RZJCPMDIOREISQ-AWEZNQCLSA-N 324.428 3.259 0 40 DGAB C[C@H]1CN(c2ccccc2)CCN1C(=O)c1cccnc1Cl 1550006564 MPQHLYUJBPUAEG-ZDUSSCGKSA-N 315.804 3.086 0 40 DGAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@@H]1CCC[C@@H](O)C1 75156859 OUAXMHBVTPUGGE-VXGBXAGGSA-N 302.296 3.130 0 40 DGAB Cc1cccn2cc(CSCCOC[C@H]3CCCO3)nc12 84495899 BHBUOFQKTSTEEZ-OAHLLOKOSA-N 306.431 3.072 0 40 DGAB CCC(CC)C(=O)N1Cc2ccccc2[C@@H](c2cnn(C)c2)C1 585407617 GHJUXAJDKLGGQD-GOSISDBHSA-N 311.429 3.330 0 40 DGAB CN(C)CCCc1cccc(C(=O)O)c1NCc1ccccc1 1569985960 MURMLTGHIZYRGO-UHFFFAOYSA-N 312.413 3.491 0 40 DGAB CC(C)C[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 5303223 WZDMXYYQAYNZII-LBPRGKRZSA-N 322.792 3.061 0 40 DGAB C[C@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC1CC1 5302532 MMQAWVCVARGCGS-NSHDSACASA-N 321.442 3.231 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@H]1CCCC[C@H]1O 5568193 PMAMYTOKWXLKLC-NWDGAFQWSA-N 303.189 3.418 0 40 DGAB O=C(c1cccs1)N1CCC(c2n[nH]c3ncccc23)CC1 12670275 JGIIBRXEROLTNR-UHFFFAOYSA-N 312.398 3.039 0 40 DGAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3 13634201 GUOOSFVWAMMSNS-UHFFFAOYSA-N 318.446 3.418 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1ccc2c(c1)ncn2C 163013016 WAHUXALTGVGISI-CQSZACIVSA-N 307.397 3.324 0 40 DGAB CC(C)N(C(=O)CSc1nc(-c2cccs2)n[nH]1)C(C)C 5859785 FYQBMCQIEIRSJI-UHFFFAOYSA-N 324.475 3.271 0 40 DGAB FC(F)(F)CN1CCC(COc2ccncc2Cl)CC1 1889077122 GEJHUASMDABLQL-UHFFFAOYSA-N 308.731 3.388 0 40 DGAB Cn1ccc(NC(=O)c2ccccc2C(=O)c2ccc(F)cc2)n1 32753152 POAZJVYRXAOELM-UHFFFAOYSA-N 323.327 3.043 0 40 DGAB COCc1cccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)c1 36392823 HWIDVVGLWNINEZ-RHSMWYFYSA-N 305.418 3.158 0 40 DGAB CCN(CC)CC(=O)NC1(Cc2ccc(O)cc2)CCCCC1 54513 OECZDLNTQBDCMH-UHFFFAOYSA-N 318.461 3.096 0 40 DGAB COc1ccc([C@@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427549 KOTAXXAWMHOFJD-AWEZNQCLSA-N 322.316 3.243 0 40 DGAB biogenic O=C(Nc1nnc(-c2cccnc2)o1)c1cccc(Cl)c1 4107463 QPPOTWCKNUADRF-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB Cc1nc2ccccc2n1C1CN(Cc2nc3c(s2)CCC3)C1 1775974564 JQSMZCGIMGHRNZ-UHFFFAOYSA-N 324.453 3.347 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1cccs1 23105498 ZXKHCKUCIZKYQT-AWEZNQCLSA-N 322.861 3.363 0 40 DGAB Cc1cc(S(=O)(=O)NCC(C)C)c(C)cc1Br 72414529 MZCKKNVQXJUDAB-UHFFFAOYSA-N 320.252 3.000 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)Cc2cccc(C)c2)cc1 96103041 GAQVHOQTYOKARS-QGZVFWFLSA-N 315.438 3.109 0 40 DGAB Cc1ccccc1C(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 40504465 LSIDFYXLYFMATC-QGZVFWFLSA-N 324.380 3.365 0 40 DGAB Cc1nn(C(=O)Cc2ccc(F)cc2)c(C)c1Br 303541 LISMELQOQMPKPH-UHFFFAOYSA-N 311.154 3.284 0 40 DGAB Cc1cccc(OCCCNC(=O)Nn2cnc3ccccc32)c1 29337344 DMVYLIIXGHTFBA-UHFFFAOYSA-N 324.384 3.067 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)s1 11750759 ORMOCNCCJPPTHV-UHFFFAOYSA-N 314.410 3.168 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 32496805 GMYUEBZYFFJSGU-WDEREUQCSA-N 323.776 3.263 0 40 DGAB Cc1ccc(/N=c2\scc(-c3ccc(O)cc3O)n2C)nc1 101713378 MLRASMDRINEGTB-VLGSPTGOSA-N 313.382 3.101 0 40 DGAB Cc1ccoc1C(=O)NCc1csc(Br)c1 32581382 IVIIZHGVHVZXGE-UHFFFAOYSA-N 300.177 3.342 0 40 DGAB Cc1nc(SCC(=O)N[C@H](C)c2ccco2)n(C2CC2)c1C 32894157 VXBZNBLONIYQRO-LLVKDONJSA-N 319.430 3.397 0 40 DGAB COc1ccc(C(=O)[C@@H](C)OC(=O)c2sc(C)nc2C)cc1 6367057 CGNPOVSYTVHAJD-SNVBAGLBSA-N 319.382 3.197 0 40 DGAB O=Cc1cn(CC(=O)Nc2ccc(F)cc2F)c2ccccc12 7098548 UGLHDSFUTXRLCE-UHFFFAOYSA-N 314.291 3.371 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCN(C(C)C)C(C)C 7814122 BOCQOGQKQFEVIP-UHFFFAOYSA-N 312.841 3.197 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(NC(=O)C(F)(F)F)cc1 8071213 OEPKTPCYCHLZCV-UHFFFAOYSA-N 322.286 3.369 0 40 DGAB Cc1cccc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1C 21800390 FTPATYSXXDXPTJ-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2cccc(C(C)=O)c2)cc1 522036 BAPSZWZZRMYOSS-UHFFFAOYSA-N 311.337 3.109 0 40 DGAB Cc1ccc([C@@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)cc1 523487 ROTSEPYSVIYKMQ-KRWDZBQOSA-N 314.410 3.106 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2c(C)noc2n1 103157445 BCULXEWUHNBOIE-VZZFWQQMSA-N 313.401 3.394 0 40 DGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 103468869 DFNMBVSOMLSDNW-IHRRRGAJSA-N 318.392 3.049 0 40 DGAB O=C(c1cccc2c3c([nH]c12)CCCC3)N1CCSCC1 53818576 HJDPIWGGVJTLFI-UHFFFAOYSA-N 300.427 3.236 0 40 DGAB Cc1ccncc1NC(=O)Cc1cccc(Br)c1 104455354 ZTLMWKAKNVXEJW-UHFFFAOYSA-N 305.175 3.334 0 40 DGAB Cc1cccc(OCCCNC(=O)c2n[nH]c3ccccc23)c1 12397971 BGHDXLWFUJCOPA-UHFFFAOYSA-N 309.369 3.070 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)N[C@H]2CCc3ccccc32)C1 61608903 XRYPQJJGHAEXRX-QAPCUYQASA-N 315.461 3.095 0 40 DGAB Cc1nc(-c2ccco2)nc2sc(C(=O)N(C)C)c(C)c12 24716161 CBXYBFDZDPLMFY-UHFFFAOYSA-N 301.371 3.270 0 40 DGAB CC(C)N(C(C)C)S(=O)(=O)c1ccc(Br)cc1 3196687 YWFUIYHKRDBOEV-UHFFFAOYSA-N 320.252 3.257 0 40 DGAB O=C(CSCc1nc(C2CC2)no1)NC1CCCCCCC1 56258969 VGSHFZNOIAZLQC-UHFFFAOYSA-N 323.462 3.409 0 40 DGAB CCc1ccc2oc(-c3ccco3)c(OCC(=O)O)c(=O)c2c1 1987834 NEZJAQMWNPLZAV-UHFFFAOYSA-N 314.293 3.079 0 40 DGAB CCc1ccc(NC(=O)CNC(=O)OCc2ccccc2)cc1 67126268 PLEGKNBBWCZYBK-UHFFFAOYSA-N 312.369 3.114 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2)cc1OC 20025667 PJNSHLFBGRZYQH-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB O=C(O)c1cccc(OCc2nc(-c3ccc(F)cc3)no2)c1 22120622 DNMFVUXTGBGWQN-UHFFFAOYSA-N 314.272 3.153 0 40 DGAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccc(F)cc1 27791098 CBENURGEVBGGIR-CQSZACIVSA-N 318.735 3.223 0 40 DGAB COc1ccccc1CC(=O)N(C1CC1)[C@H](C)c1ccccn1 44972227 SQMPZOINAGMZFY-CQSZACIVSA-N 310.397 3.385 0 40 DGAB COc1cccc(-c2nnc3sc(-c4ccc(C)nc4)nn23)c1 10311733 VJJNXTACJJLPEP-UHFFFAOYSA-N 323.381 3.232 0 40 DGAB Cc1cccc(CN(CN2C(=O)C(=O)c3ccccc32)C2CC2)c1 58530216 PYHLRWFUWOSRSI-UHFFFAOYSA-N 320.392 3.146 0 40 DGAB C[C@@H](C(=O)N[C@@H]1CCSc2ccc(Cl)cc21)n1cccn1 28500511 JUOFNJLDZYDMPY-GXFFZTMASA-N 321.833 3.451 0 40 DGAB NC(=O)c1cc(Cl)ccc1OCc1cc(-c2ccco2)on1 11190027 FFPLBWOAPNWCBP-UHFFFAOYSA-N 318.716 3.266 0 40 DGAB Cc1ccccc1OCCN(C)CC(=O)N[C@@H]1CCCC[C@H]1C 12751290 OFTRZKHUUHQWAT-NVXWUHKLSA-N 318.461 3.001 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1 2427095 KVDCUGMBKVOJRA-INIZCTEOSA-N 305.333 3.358 0 40 DGAB CC[C@@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11560329 GDWQXGKCZDYCOU-GFCCVEGCSA-N 324.428 3.347 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccs1 12878800 QSMPOZWOPBKLEJ-SNVBAGLBSA-N 300.383 3.124 0 40 DGAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccc[nH]3)o2)n1 12879194 QPIPTJLPPPJEDF-MRVPVSSYSA-N 305.363 3.424 0 40 DGAB CC[C@H](C)[C@@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 69843319 WSSJZWMENZRKBB-DOTOQJQBSA-N 317.429 3.182 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN[C@H](C)Cn1cccn1 69393335 YMZKSXZDPLEDAP-LLVKDONJSA-N 302.403 3.086 0 40 DGAB COc1ccccc1NS(=O)(=O)c1cccc(Cl)c1C 48652258 CNPHEZCSICSTKQ-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CC(C)[C@H](C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1 13167198 GOPGGSWHDWEVMP-HNNXBMFYSA-N 323.820 3.403 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 48909153 LCRKOZSGCNGBQX-LSDHHAIUSA-N 314.429 3.187 0 40 DGAB CSCC(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 63701016 GXZILUABUPEVAX-UHFFFAOYSA-N 315.320 3.193 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCO[C@H]2CCCC[C@H]21 69512964 YBISTGLAQSWLRU-CABCVRRESA-N 319.449 3.039 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c1 69973927 XWRYPKRUCXHHBA-IRXDYDNUSA-N 318.486 3.248 0 40 DGAB CN1CCC(Nc2ccccc2NC(=O)c2ccccc2)CC1 69617088 IKVDPTNQKBPFSU-UHFFFAOYSA-N 309.413 3.445 0 40 DGAB CCn1c(CCC(=O)Nc2ccc(C)c(Cl)c2)n[nH]c1=S 6226028 IFDCFUXZYLQMHY-UHFFFAOYSA-N 324.837 3.494 0 40 DGAB c1ccc2sc(CN3CCO[C@@H](c4nccs4)C3)nc2c1 65594847 VAWQWZCUHMAWHO-GFCCVEGCSA-N 317.439 3.326 0 40 DGAB CCc1nn2c(NCCN(C)C)cc(C)nc2c1-c1ccccc1 5303092 VMWVKYAPCWUPSH-UHFFFAOYSA-N 323.444 3.241 0 40 DGAB CS(=O)(=O)c1ccc(C(=O)c2cc3ccccc3o2)cc1 14242494 DPKIOQGQRDMIMS-UHFFFAOYSA-N 300.335 3.067 0 40 DGAB C[C@H]1C[C@@H](C)CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 18221878 GJFBHIPQNDJNNZ-TXEJJXNPSA-N 301.839 3.148 0 40 DGAB CC1CCN(C(=O)CCCCC(=O)N2CCC(C)CC2)CC1 5791787 WCLHLRYOUTXHOE-UHFFFAOYSA-N 308.466 3.064 0 40 DGAB CN(C)C[C@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 66948525 RCTMJWVWOPQNAD-MRXNPFEDSA-N 313.445 3.043 0 40 DGAB CC(C)COCc1nn(C(C)C)cc1I 408717191 WSVVLQGMVKMUCQ-UHFFFAOYSA-N 322.190 3.241 0 40 DGAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1Cl 7597585 WRSUDNQZIPNULW-BZNIZROVSA-N 317.772 3.357 0 40 DGAB Cc1nc(NC(=O)c2ccc3c(c2)OCCCO3)sc1C 9364820 MCWPSFRKELZGSF-UHFFFAOYSA-N 304.371 3.174 0 40 DGAB Cc1ccc(N2CCN(C(=O)NCc3cccc(C)c3)CC2)cc1 96318730 SYKNSNAPNRHBPP-UHFFFAOYSA-N 323.440 3.335 0 40 DGAB C[C@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccsc1 97017395 SHGRMVGBWMNOKD-SMDDNHRTSA-N 303.383 3.184 0 40 DGAB CCOCCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 71908748 NXHFDKUCTUMEFN-SFHVURJKSA-N 312.413 3.217 0 40 DGAB CCOC(=O)Cc1csc(S[C@@H](C)c2ccncc2)n1 71910329 VZMJIQFFICAPJH-JTQLQIEISA-N 308.428 3.497 0 40 DGAB COc1cc(CCC(=O)Nc2ncc(C)s2)cc(OC)c1 9747454 HCRHUONDCYUYQP-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB Cn1cc(CNCc2ccc(Oc3ccc(F)cc3)nc2)cn1 97159107 FJQYJFKMLSIVND-UHFFFAOYSA-N 312.348 3.036 0 40 DGAB Cc1csc([C@@H]2CN(Cc3nc4ccccc4o3)CCO2)n1 97199604 ONUMYIOVESULHO-AWEZNQCLSA-N 315.398 3.166 0 40 DGAB COc1csc(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)c1 76094105 SKWAPBWWESFHJK-UHFFFAOYSA-N 314.370 3.103 0 40 DGAB O=c1cc(CN2C[C@@H]3CCCC[C@@]32c2ccccc2)occ1O 95426352 FBOWZYBKCSQSRU-HNAYVOBHSA-N 311.381 3.247 0 40 DGAB COCc1ccccc1CNC(=O)NCc1ccc(F)c(C)c1 26390371 DEMIXUZASHQQNF-UHFFFAOYSA-N 316.376 3.280 0 40 DGAB O=C(NCCc1ccccc1F)c1cc(F)cc2cccnc12 95453245 NUFLYQZRTMRTCT-UHFFFAOYSA-N 312.319 3.486 0 40 DGAB C[S@](=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 95978348 OYKJBMFWDVHXOD-JOCHJYFZSA-N 321.373 3.325 0 40 DGAB O=C(C[C@@H](O)c1cc(Cl)cc(Cl)c1)NC1CC=CC1 89321360 MXEMJZRBJATWIJ-CYBMUJFWSA-N 300.185 3.252 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)Cc1cccs1 75129898 ICQXMRYMNAKOOP-CQSZACIVSA-N 303.431 3.005 0 40 DGAB Cc1ccc(C)c([C@H]2CCCN2C(=O)CNCC(F)(F)F)c1 89616432 GPQPXPKLBSUWEK-CQSZACIVSA-N 314.351 3.119 0 40 DGAB O=C(OCCCc1cccc2ccccc12)[C@@]1(O)CCSC1 89873228 ZZCRGBVSRUZGPL-GOSISDBHSA-N 316.422 3.184 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)Nc2ccc(OC)cc2)s1 27933384 MAPUZHYDEOAFDI-UHFFFAOYSA-N 319.386 3.062 0 40 DGAB Cc1ccc2[nH]c(C(=O)Nc3cccc4c3OCC(=O)N4)cc2c1 516123554 CTQIFWIEDZBXRO-UHFFFAOYSA-N 321.336 3.060 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 37123803 PHMLFVLPDQGZQO-CYBMUJFWSA-N 323.801 3.436 0 40 DGAB C[C@H](Sc1nc(C(F)(F)F)nc2ccccc12)C(=O)O 32544663 QYXXTFPNBVPVMX-LURJTMIESA-N 302.277 3.214 0 40 DGAB O=C(OCc1cc(-c2ccco2)on1)c1cccnc1Cl 8428197 WDZFBXVYBILZRR-UHFFFAOYSA-N 304.689 3.340 0 40 DGAB O=C1Cc2cccc(C(=O)c3ccc(Br)cc3)c2N1 38927556 JDSPXIPYMUGSIJ-UHFFFAOYSA-N 316.154 3.175 0 40 DGAB in-vitro C[C@H](C(=O)Nc1nc2c(s1)CCC2)n1cnc2ccccc21 31836270 ONQOQGBKWDQDLI-SNVBAGLBSA-N 312.398 3.181 0 40 DGAB COCCOc1cc(C(=O)Nc2ccccc2SC)ccn1 182272790 VMFUKXRPLQMGMS-UHFFFAOYSA-N 318.398 3.081 0 40 DGAB CCCCCNC(=O)CCc1nc(-c2ccccc2C)no1 41184348 KEHNWTDMCLSKJH-UHFFFAOYSA-N 301.390 3.284 0 40 DGAB CCOC(=O)c1cnc2ccc(Br)cc2c1NC 40175605 XRSMYBFWJQLDPT-UHFFFAOYSA-N 309.163 3.216 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCc2ccc(Cl)cc2)c1 41288586 HZFXPUQAYLDTBM-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB CNC(=O)c1cnc(/C=C/c2cnc(C(C)(C)C)s2)s1 78162494 YHEAJJULNCEVRD-AATRIKPKSA-N 307.444 3.427 0 40 DGAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)Cc1cccs1 223486402 XJNKUNSQEHKILO-CQSZACIVSA-N 314.454 3.248 0 40 DGAB O=S(=O)(Cc1ccccc1)NCc1ccc2ccccc2c1 45813637 CDYYOZLKIVADOO-UHFFFAOYSA-N 311.406 3.459 0 40 DGAB C[C@@H](c1ccccc1)N1CCC(=O)C[C@@H]1C(=O)OC(C)(C)C 83291880 PWBIEXKEDQKLQE-XJKSGUPXSA-N 303.402 3.123 0 40 DGAB COc1ccccc1CCC(=O)Nc1ccc2[nH]c(C)nc2c1 40267466 ADSGKIIAOHXDIT-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB Cc1cnc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)s1 226747390 MZEIVBXQINZZSG-OAHLLOKOSA-N 319.361 3.112 0 40 DGAB CCN(CC)C(=O)[C@@H](c1ccccc1)[S@](=O)C1CCCC1 194487688 CNXGBFBDDWMQKH-IIBYNOLFSA-N 307.459 3.287 0 40 DGAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCC[C@H](O)C1 75156866 VPOKQOBRFGQLIP-ROUUACIJSA-N 324.424 3.379 0 40 DGAB CC(C)Cn1c(CCNC(=O)c2ccncc2)nc2ccccc21 40184090 JYZMKYISMDTOGA-UHFFFAOYSA-N 322.412 3.060 0 40 DGAB CCCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cn1 225902172 VUZKVZJDFIHKPG-QGZVFWFLSA-N 306.406 3.404 0 40 DGAB CC[C@](C)(OC)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225790310 IIGVHTFAISADHD-KRWDZBQOSA-N 323.389 3.014 0 40 DGAB CCc1nnc(CNc2cc3c(cc2Br)CCC3)o1 194578699 XMFXQNRYUKZMBB-UHFFFAOYSA-N 322.206 3.495 0 40 DGAB Cn1ncc2c(N3CCC(=Cc4ccccc4)CC3)ncnc21 97227421 JSNMYEJYWILORS-UHFFFAOYSA-N 305.385 3.047 0 40 DGAB O[C@H]1C[C@@H](c2cc(F)ccc2F)N(Cc2cnoc2C2CC2)C1 583614646 JOVPHZLRNMOCDD-BBRMVZONSA-N 320.339 3.138 0 40 DGAB O=C(O)c1nc(Br)sc1-c1ccc(F)cc1 95095465 MONIAIMJAYKRME-UHFFFAOYSA-N 302.124 3.410 0 40 DGAB CCO[C@@H](C)c1nc(CN2CCC(NC(C)C)CC2)cs1 96413227 VHDLFKFAASPQAG-ZDUSSCGKSA-N 311.495 3.203 0 40 DGAB CCCn1ccc2ccc(NC(=O)N(CCO)C(C)C)cc21 97374991 NUMZEELBMXQFPY-UHFFFAOYSA-N 303.406 3.286 0 40 DGAB CC(=O)N1CCc2cc(C(=O)OCc3ccsc3)ccc21 96442678 PXJLMEVACWDCEA-UHFFFAOYSA-N 301.367 3.014 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257261064 LFOIIRPAHYHZRQ-MRXNPFEDSA-N 307.401 3.445 0 40 DGAB Cc1c[nH]c([C@H]2COCCN2Cc2ccc(Cl)cc2F)n1 257260431 LCUUHFAWBMIBBJ-CQSZACIVSA-N 309.772 3.084 0 40 DGAB c1ccc(OCC[C@H]2CCOC23CCN(C2CCC2)CC3)nc1 585105256 RPFFDTNBQMONSA-INIZCTEOSA-N 316.445 3.274 0 40 DGAB O=C(NCC1(CO)CC1)C1(c2ccc(Cl)cc2)CCCC1 49030045 OOAOSYRBSOATRW-UHFFFAOYSA-N 307.821 3.041 0 40 DGAB CCCC(=O)N1CCC[C@@H]1C(=O)NCC[C@@H](C)c1ccccc1 69414352 WFFCNRVIHMKZLA-NVXWUHKLSA-N 316.445 3.088 0 40 DGAB CN(C)C[C@@H]1CCCCN1C(=O)c1cc2ccccc2s1 66948126 OPKJTWRQRHBBRD-AWEZNQCLSA-N 302.443 3.458 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](OC(F)(F)C(F)(F)F)C1 91252498 MNHNUOHQQIJEMD-SSDOTTSWSA-N 305.243 3.168 0 40 DGAB O=C(CSCCO)Nc1cc(Cl)c(Cl)cc1Cl 18186326 KCGKAIBLCHKGOJ-UHFFFAOYSA-N 314.621 3.311 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(OC(C)=O)cc2)C1=O 6323949 HLKBUMYOQHUUPN-UKTHLTGXSA-N 305.355 3.058 0 40 DGAB Cc1cnc([C@@H]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH]1 1848352233 KVYONOBOUFOFPV-OAHLLOKOSA-N 322.412 3.446 0 40 DGAB C[C@H](Sc1ncc2ccccn12)c1nc2ccccc2c(=O)[nH]1 26407352 OXDCJAKNMDLUFY-NSHDSACASA-N 322.393 3.424 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2ncc(Cl)cc2F)CC1 2087121023 XBJJUUFGMVTLER-UHFFFAOYSA-N 313.804 3.005 0 40 DGAB O=C(CCc1ccccc1)Nc1nnc(-c2ccc(F)cc2)o1 4275980 AEMPJSKHRQFLLL-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CS(=O)(=O)c1nc2ccccc2n1Cc1cccc(Cl)c1 4304820 UZRMYVWVEHQXHA-UHFFFAOYSA-N 320.801 3.142 0 40 DGAB Cc1cc(C)cc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)c1 2298092147 ZXQGIRLMEWJKBU-OAHLLOKOSA-N 323.400 3.366 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)Cc2cccc(C)c2)cc1 96103040 GAQVHOQTYOKARS-KRWDZBQOSA-N 315.438 3.109 0 40 DGAB O=Cc1ccc(OC(=O)c2cccc(Br)c2)cc1 59975 OXUWTZSSTXTZKA-UHFFFAOYSA-N 305.127 3.481 0 40 DGAB COc1cccc([C@@H](NCc2cccs2)c2nccn2C)c1 30647889 KHOFAZYFNWBFDX-MRXNPFEDSA-N 313.426 3.369 0 40 DGAB Cc1sc(NC(=O)CN)nc1-c1ccc(OCC(C)C)cc1 31959687 ZCFXTFCCZCVCII-UHFFFAOYSA-N 319.430 3.051 0 40 DGAB CCN(C(=O)COC(=O)c1sccc1C)c1ccccc1 51356820 XLIILIBYHOSGRY-UHFFFAOYSA-N 303.383 3.266 0 40 DGAB Fc1ccc(Nc2nc(N3CCCCC3)c3nccnc3n2)cc1 32090734 KGXHAUOSMCAKRQ-UHFFFAOYSA-N 324.363 3.293 0 40 DGAB O=C(NC1CCCCCC1)c1cccc(N2CCCC2=O)c1 429234 LIRWRTNCPFLTJS-UHFFFAOYSA-N 300.402 3.266 0 40 DGAB Cc1cccc(NC(=O)NC2CCCC2)c1C(=O)N1CCCC1 46013318 WLWUCXUHLPKFJN-UHFFFAOYSA-N 315.417 3.295 0 40 DGAB CC1(C)Oc2ccc(NC(=O)C3CCCCC3)cc2NC1=O 46088494 NIULDHMPYZMDHJ-UHFFFAOYSA-N 302.374 3.315 0 40 DGAB Cc1nc2ccccn2c1C(=O)N[C@H]1CCCc2ccccc21 928596 SZCQVWZYGKJJJV-INIZCTEOSA-N 305.381 3.450 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)C2(Br)Br 345401 OFAQZCPBQBALHS-RCOVLWMOSA-N 310.029 3.498 0 40 DGAB CCCCOc1ccc(Nc2ccc(S(N)(=O)=O)cc2)cc1 1683819 DNUPHIDPPUEGIX-UHFFFAOYSA-N 320.414 3.257 0 40 DGAB Cc1cccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11915420 AUKQGOZMABDOPV-LBPRGKRZSA-N 300.358 3.125 0 40 DGAB Cc1cc(NC(=O)CCc2ncc(-c3ccc(F)cc3)o2)no1 21442171 YDFRXZOIRBOOOE-UHFFFAOYSA-N 315.304 3.348 0 40 DGAB CCCc1noc(CSc2nnc(NC(C)(C)C)s2)n1 32905605 LBGVSZXOZBJIPT-UHFFFAOYSA-N 313.452 3.376 0 40 DGAB OC1=C2C(=Nc3nonc3N[C@H]2c2ccc(F)cc2)CCC1 102750624 VSJMDOJGBWLVFB-ZDUSSCGKSA-N 300.293 3.444 0 40 DGAB O=C(O)c1cccnc1SC[C@H]1CCN2CCCC[C@@H]2C1 33435716 COBPHAAHWZRDCH-QWHCGFSZSA-N 306.431 3.136 0 40 DGAB CCN(Cc1cccs1)S(=O)(=O)c1cccc(C(C)=O)c1 22276725 ZWKCNFIJOSSABN-UHFFFAOYSA-N 323.439 3.162 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc3nc[nH]c(=O)c3c2)cc1C 9704093 RJGUWYOVNATTRK-UHFFFAOYSA-N 324.409 3.349 0 40 DGAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCCC2)C1 53749826 PFZHENLRFBQMPE-YOEHRIQHSA-N 301.434 3.064 0 40 DGAB O=C(Nc1cccc(F)c1)C1CCN(Cc2ccccn2)CC1 69488905 WOIXWNGXWUWWIM-UHFFFAOYSA-N 313.376 3.071 0 40 DGAB Cc1ccccc1OCCNC(=O)COc1ccccc1Cl 55954411 XRKBNBSWZMSMIK-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB Cn1ccnc1COc1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 42708175 QOTLMNXMVCDXTF-CQSZACIVSA-N 311.385 3.294 0 40 DGAB O=C(Nc1nc2ccccc2n1-c1ccccc1)c1cnccn1 43273943 WBYPQMKRMMWXGK-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CO[C@H]1CCCC[C@@H]1OC(=O)c1coc(-c2ccccc2)n1 78076514 SHLUODCGOGBWOE-GJZGRUSLSA-N 301.342 3.456 0 40 DGAB O=C(NC1CC1)c1ccc(OCc2cccc(Cl)n2)cc1 1501899 ARIMZJGNKKHMFH-UHFFFAOYSA-N 302.761 3.206 0 40 DGAB O=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@@H]1CCCO1 56596080 UPEYSVRPIUOJLF-INIZCTEOSA-N 318.417 3.159 0 40 DGAB CN(C)CCCOC(=O)C1c2ccccc2Oc2ccccc21 1761104 FCKWZEVMSYOIHQ-UHFFFAOYSA-N 311.381 3.419 0 40 DGAB O=C(/C=C/c1cccs1)NCc1ccccc1Cn1cccn1 27253975 FEBKKJHTTRYTGH-CMDGGOBGSA-N 323.421 3.323 0 40 DGAB NC(=O)[C@@H](Nc1cccc(COCC2CC2)c1)c1ccccc1 58166451 KNVISSAQKDXLKX-SFHVURJKSA-N 310.397 3.252 0 40 DGAB COc1ccccc1C(=O)[C@H](CCCO)[C@@H]1CCOC(C)(C)C1 2116048 RGGBBFDNXPKSLS-HUUCEWRRSA-N 320.429 3.472 0 40 DGAB biogenic CSc1ccc(C)c(C(=O)N(C[C@H]2CCOC2)C2CC2)c1 44941000 KQXGDVBYCPMTMX-CYBMUJFWSA-N 305.443 3.358 0 40 DGAB C[C@@H](Sc1nncs1)C(=O)N[C@@H]1CCCc2ccccc21 3346802 RLSPRJHWYIOXSR-ZWNOBZJWSA-N 319.455 3.213 0 40 DGAB CCCNC(=O)[C@H](C)SCc1nc(-c2ccccc2C)no1 45025209 LSKWISOMFUDXOP-LBPRGKRZSA-N 319.430 3.193 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1cccc(C)n1)c1ccsc1 36397332 RBGXTFXRZNOGSD-MRXNPFEDSA-N 317.458 3.264 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)C12CC3CC(CC(C3)C1)C2 29182701 ODDPKLYZBGMUBY-UHFFFAOYSA-N 323.387 3.453 0 40 DGAB O=C(CSc1ncccn1)Nc1ccccc1C(F)(F)F 3474882 XQAJFIUXNZQVCE-UHFFFAOYSA-N 313.304 3.226 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccc(-n3ccnc3)cc2)c1 69512737 BAKLJXSKFJDHHC-HOTGVXAUSA-N 309.417 3.117 0 40 DGAB O=C(CCc1ccco1)NCc1cccc(OCC(F)F)c1 69633333 RVSFZUVRNRNEHB-UHFFFAOYSA-N 309.312 3.173 0 40 DGAB COc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)c(OC)c1 8714222 AWFCVEGVFPYOSK-NSHDSACASA-N 301.342 3.009 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)C1(C)C 65476151 HANBYSFDSHFMAK-UONOGXRCSA-N 324.465 3.208 0 40 DGAB Cc1cccc(OCCCNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)c1 65538958 YCGWSMBUODOKPX-ULQDDVLXSA-N 318.461 3.141 0 40 DGAB COc1ccc(Cl)c2c1N(Cc1ccc(F)cc1)C(=O)C2=O 6670370 PLFHGWGDPGOYBN-UHFFFAOYSA-N 319.719 3.217 0 40 DGAB O=C1NC2(CCCCCC2)N=C1c1ccc(Br)cc1 4891129 HYKUIGNVSBUUJB-UHFFFAOYSA-N 321.218 3.419 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCOCC1 19356991 NLNQBSOZEVFYLC-HNNXBMFYSA-N 310.397 3.013 0 40 DGAB C[C@H]1C[C@@H](NCCn2cnnc2C2CC2)c2ccsc2S1 90033990 NWXLNTFTKUEBNG-GXFFZTMASA-N 320.487 3.432 0 40 DGAB COc1ccc(NC(=O)CCc2cnn(-c3ccccc3)c2)cc1 15629768 BZZJBARSEOOQNN-UHFFFAOYSA-N 321.380 3.452 0 40 DGAB CCCc1ccc(S(=O)(=O)N2CCc3ccccc32)cc1 16092379 OCSAKPFZHKASDH-UHFFFAOYSA-N 301.411 3.391 0 40 DGAB CCn1c(-c2ccncc2)nn(CN2CCC(C)CC2)c1=S 8062032 NQYBFPONUGOSAI-UHFFFAOYSA-N 317.462 3.185 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 9479127 XARIUHDRBORUNA-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB C[C@@H](NC(=O)c1cc(F)ccc1F)c1nc2ccccc2[nH]1 9467633 GEMPJZFTXOYMCS-SECBINFHSA-N 301.296 3.332 0 40 DGAB CC(C)Cc1nnc2sc([C@H](C)n3ccnc3C(C)C)nn12 71762847 AHEHDZNIRKKVDH-NSHDSACASA-N 318.450 3.314 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)C[C@@H](C)n1cccc1 71872149 YUZJNBUOUZDXIE-CJNGLKHVSA-N 314.433 3.153 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccc(Cl)cc1 71859177 JOPJIDWBRYYDLK-GIPWTMENSA-N 313.850 3.036 0 40 DGAB Cc1nc(C)c(C[S@](=O)Cc2cn3cccc(C)c3n2)s1 83953291 YHIOOYQOLZATNE-NRFANRHFSA-N 319.455 3.165 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)c3cccc(C)n3)C2)n1 72282298 KBRXPLKBGFGSFY-CYBMUJFWSA-N 315.442 3.429 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3F)C2)sc1C 72297527 NMNHQWXNPKAYNV-LBPRGKRZSA-N 319.405 3.314 0 40 DGAB CCc1nc(CN2CC[C@@H](CNc3ccccn3)C2)cs1 97200656 BIXIFDQYAQMDAI-ZDUSSCGKSA-N 302.447 3.035 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc2ncccc2c1 95417760 SDVPBRHSTVHMDW-IFXJQAMLSA-N 320.392 3.477 0 40 DGAB COC(=O)c1ncccc1N1CC[C@H](c2ccc(F)cc2)C1 95431667 YNGAZEUKBLZUPM-ZDUSSCGKSA-N 300.333 3.001 0 40 DGAB O=S(=O)(Cc1ccccc1)Nc1cccc(C(F)(F)F)n1 95433058 BYVXSJHKZFRTJT-UHFFFAOYSA-N 316.304 3.042 0 40 DGAB C[C@H](NCc1ccc(F)c(Br)c1)[C@@H]1CCOC1 95961929 PMYVMJIWPJCPOW-GXSJLCMTSA-N 302.187 3.103 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/C=C/c3ccco3)C2=O)cc1 409223241 DVSRFIPXLPBJSD-NKJMRRHMSA-N 308.337 3.237 0 40 DGAB CC(C)(CNC(=O)[C@H]1CCn2cncc2C1)C1CCCCC1 95980223 JQTCYYLBUUPYNL-AWEZNQCLSA-N 303.450 3.168 0 40 DGAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)[C@@H]1C[C@@H]1c1ccc(F)cc1 89783278 PAJGQGPBUKNUFL-HPBDAGMYSA-N 319.420 3.377 0 40 DGAB Cc1cnc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)cn1 89702254 XRARDGMBKGIQJI-IRXDYDNUSA-N 315.417 3.246 0 40 DGAB Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2ccncc2)cc(C)c1F 173073957 WTKBXWPHXKECCA-ZDUSSCGKSA-N 322.405 3.219 0 40 DGAB O=C1NCCCC[C@@H]1SCc1coc(-c2ccc(F)cc2)n1 78555727 ZMNPRAIZHRSFSI-AWEZNQCLSA-N 320.389 3.383 0 40 DGAB Cc1ncc2c(n1)CC[C@H](NC(=O)CCC1CCCCC1)C2 30781753 KFEOKNYPGMHZJZ-INIZCTEOSA-N 301.434 3.119 0 40 DGAB CSCc1csc(NC(=O)Nc2ccc3c(c2)OCO3)n1 36662229 GPKUXRYDFQEREN-UHFFFAOYSA-N 323.399 3.379 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@@H](C)C[C@@H](C)O 77660942 CWCBIICNBIFJII-GXSJLCMTSA-N 314.813 3.186 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc(Cl)ccc1Br 32772223 AZHXBWIWVFCPFR-SECBINFHSA-N 318.598 3.011 0 40 DGAB CCOCCCNC(=O)CSCc1ccc(Cl)cc1F 223222206 LPJPBUFCBYFGQT-UHFFFAOYSA-N 319.829 3.255 0 40 DGAB COc1ccc(NCc2n[nH]c(-c3cccc(OC)c3)n2)cc1 40174467 DXDAUPBGYRZRGK-UHFFFAOYSA-N 310.357 3.101 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 43739487 IOTUXBAFFUXXPR-GFCCVEGCSA-N 314.772 3.332 0 40 DGAB Cc1cccnc1C(F)(F)C(=O)N(CC1CC1)CC(F)(F)F 225591780 FBFMSDVDIPJLRI-UHFFFAOYSA-N 322.277 3.283 0 40 DGAB COc1ccc(CCC(=O)N2CCCC(C)(C)C2)cc1OC 44904091 QIVZBVLZWPNRIU-UHFFFAOYSA-N 305.418 3.285 0 40 DGAB O=C(C1CCCC1)N1CC[C@@H](NCc2sccc2Cl)C1 225611245 NXYCQKFOIDHFKC-GFCCVEGCSA-N 312.866 3.282 0 40 DGAB CN1CCC(NCCOCc2ccc(Cl)cc2Cl)CC1 96493963 AQMLTXOGZNEUOL-UHFFFAOYSA-N 317.260 3.194 0 40 DGAB CCS(=O)(=O)Nc1c(C)cc(Br)cc1Cl 97103175 DQJJRVQKZIBRQZ-UHFFFAOYSA-N 312.616 3.173 0 40 DGAB CC[C@@H](NC(=O)N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 96440167 DYUFENRMBZOOFA-CZUORRHYSA-N 315.421 3.371 0 40 DGAB Cc1cccc([C@@H](C(=O)O)N2CCN(c3ccccc3C)CC2)c1 91690123 KSKQXNKKNDLJMI-IBGZPJMESA-N 324.424 3.251 0 40 DGAB CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@H](C)C2)C[C@H]1C 247948846 PSNMSNPGJXNYAJ-HWEKDVCVSA-N 322.493 3.258 0 40 DGAB Cc1[nH]c2ccccc2c1Cc1nc2ccccc2n1CCO 585145597 JHUIDNQJMULOSH-UHFFFAOYSA-N 305.381 3.409 0 40 DGAB CCCN(CCC)c1nn(-c2cc(C)cc(C)c2)nc1C(=O)O 256047923 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40 DGAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(F)c(F)c1 25310537 QWUJZLHVTSRYDP-INIZCTEOSA-N 318.323 3.178 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)c1cc(Cl)c2c(c1)OCCO2 40074705 PMRQAZCCFMEERY-JTQLQIEISA-N 321.760 3.065 0 40 DGAB CCOC(=O)c1c(NC(=O)C2CC2)sc2c1CC[C@@H](C)C2 35549 HRKPEWJVLFKLAF-SECBINFHSA-N 307.415 3.398 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N3CCCc4ccccc43)ccc21 40474244 NKHQLXLYQJYINX-UHFFFAOYSA-N 320.392 3.189 0 40 DGAB Cc1ccc(/C=C2/C(=O)N(C3CCCCC3)C(=S)N2C)o1 210402 RGSOIDTWMJBTPV-UVTDQMKNSA-N 304.415 3.321 0 40 DGAB COc1ccccc1C(=O)O[C@H](C)C(=O)Nc1ccccc1C 151393 OBUPLWVKGUEQDS-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB C[C@@H]1C[C@@H](N2Cc3ccccc3[C@H](c3ccccc3)C2)C(=O)O1 46054972 YJVZAMGMWROHDL-MDASCCDHSA-N 307.393 3.338 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)c2cc(C)sc2C)c1 32532012 CHJPGNXSXCSXGU-UHFFFAOYSA-N 309.412 3.368 0 40 DGAB CC(C)[C@@H](OC(=O)c1cccs1)C(=O)NC1CCCCC1 1381115 CDKMRNZXKJODIX-CQSZACIVSA-N 309.431 3.378 0 40 DGAB CC[C@@]1(CCC(C)C)C(=O)NC(=O)N(c2ccccc2)C1=O 1843971 YEAUIGJGKUKBDE-QGZVFWFLSA-N 302.374 3.102 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 102226146 SDUIGRKHNCDYNF-GMXVVIOVSA-N 306.431 3.179 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1nnc(-c2ccco2)o1 4107336 IPXOJGQVTVARFY-UHFFFAOYSA-N 319.704 3.001 0 40 DGAB CCc1nc(C)cn1S(=O)(=O)c1cc(C)c(Cl)cc1C 7348625 OGEJMPLWOJHCTR-UHFFFAOYSA-N 312.822 3.261 0 40 DGAB CCNc1c(NC(=O)N[C@H](C)CC)c(=O)oc2ccccc12 101094484 LHZIGWDDVSAADI-SNVBAGLBSA-N 303.362 3.145 0 40 DGAB Cc1ccc(OCCNC(=O)COc2ccccc2C)c(C)c1 8062754 LZXCPIZXPSFUOY-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1F 8478443 ZUEOTPQNSTXSDK-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB COc1ccc(C2=C[C@H](c3ccco3)n3nc(C)nc3N2)cc1 8570204 GOWMMIJKUOHPAD-OAHLLOKOSA-N 308.341 3.244 0 40 DGAB C[C@H]1CCCCN1Cc1ccc(NC(=O)c2cnn(C)c2)cc1 53720556 DKOIKYXKQADBBX-AWEZNQCLSA-N 312.417 3.047 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccccc1Cl 100659689 JJMYIEVLLAMGNF-BRFGJLLKSA-N 317.772 3.047 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1 980181 FHPLOXXOQARVLD-UHFFFAOYSA-N 303.383 3.307 0 40 DGAB O=C(OCCOc1ccccc1)C(C(F)(F)F)C(F)(F)F 3094890 SLHMDKUYJHKHTA-UHFFFAOYSA-N 316.197 3.349 0 40 DGAB CC[C@@H](NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1ccc(C)cc1 107146289 ICJUSYNJZGXXHK-CWQOZTLDSA-N 314.429 3.265 0 40 DGAB O=C(Cc1ccc2c(c1)CCO2)Nc1cccc2cccnc12 10225602 QRXVDRFXRBMXHH-UHFFFAOYSA-N 304.349 3.351 0 40 DGAB Cc1cc(NC[C@H]2Cc3ccccc3O2)nc(-c2ccncc2)n1 57826521 YXNCYMABWGBFQV-MRXNPFEDSA-N 318.380 3.263 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCc1ccccc1 58315542 NVDRVFHHVYNKQB-AWEZNQCLSA-N 307.397 3.159 0 40 DGAB COc1c(CN[C@@H]2CCc3c(Cl)cccc32)c(C)nn1C 58411954 RPUVPKRIRFLKJW-OAHLLOKOSA-N 305.809 3.168 0 40 DGAB CCC[C@H](C)C(=O)OCC(=O)Nc1nc2ccccc2s1 3329705 ZLIHITHKSZVYQD-JTQLQIEISA-N 306.387 3.214 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2ncnc3ccccc23)C1 3322241 RWSWIEBZKVCNAY-STQMWFEESA-N 315.442 3.226 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2sccc2C)c1 3317275 WDDWSISYIJXRCI-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)/C=C/c1ccc2c(c1)OCO2 12798472 FNEIMBIRHNPGLH-SOFGYWHQSA-N 313.328 3.226 0 40 DGAB CSc1ccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)cc1 12825027 VRSUBTCQWLTLAC-CQSZACIVSA-N 312.394 3.473 0 40 DGAB CCCOc1ccc(CN(CCC)C(=S)NC)cc1OC 3414854 GQZNBLGQBCHCBL-UHFFFAOYSA-N 310.463 3.200 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1C 8499717 YFVGTNIHPTVDCI-CYBMUJFWSA-N 313.353 3.438 0 40 DGAB Cc1ccc(CNC(=O)N2CCC[C@@H]2c2c(C)n[nH]c2C)s1 91606191 HVTCPYBQMIJAND-CQSZACIVSA-N 318.446 3.443 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccc(Sc2nncs2)cc1 49317054 VKKOSRXNLGUJAV-QMMMGPOBSA-N 311.457 3.379 0 40 DGAB COc1cccc(NC(=O)C2=Cc3ccc(OC)cc3OC2)c1 14093335 ITCWBYFOYBTEBL-UHFFFAOYSA-N 311.337 3.118 0 40 DGAB Cc1cccc(C)c1NC(=O)CSc1nc(C(C)(C)C)n[nH]1 8708795 PKZAYAPRQZBBAY-UHFFFAOYSA-N 318.446 3.450 0 40 DGAB O=C(Cn1ccc2ccccc2c1=O)NCCC1=CCCCC1 6724128 NLSUJMDBEHZGEA-UHFFFAOYSA-N 310.397 3.008 0 40 DGAB O=C1[C@H](Sc2ccc(Cl)nn2)CCN1c1ccccc1 68049940 UOKXIMMSAKPWNO-LLVKDONJSA-N 305.790 3.028 0 40 DGAB C[C@@H](NCC(=O)Nc1ccccc1Br)c1ccco1 7800133 CLZDVPKLKHUNSG-SNVBAGLBSA-N 323.190 3.331 0 40 DGAB O=C(NCC(F)F)N[C@H](CC1CCOCC1)c1ccccc1 96004717 KUBMIUWVNQXPPG-CQSZACIVSA-N 312.360 3.109 0 40 DGAB C[C@H](C(=O)NCCO)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419479 VHSPYAVLNLXEMN-JTQLQIEISA-N 316.788 3.187 0 40 DGAB Cn1ccnc1C[C@H]1CCCN(Cc2cnc(C3CC3)s2)C1 97058940 FFNAYTVXEWOXAR-CYBMUJFWSA-N 316.474 3.209 0 40 DGAB c1cc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)n[nH]1 93841019 ATAWCJMBYLMYLX-GFCCVEGCSA-N 302.447 3.125 0 40 DGAB Cn1cc(CCCN2CCC[C@H](c3nc4ccccc4o3)C2)cn1 71830484 FWBWIFKUXVXCED-INIZCTEOSA-N 324.428 3.374 0 40 DGAB C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1nccs1 71879740 NBKWLFDPRHZBPP-FRRDWIJNSA-N 311.451 3.099 0 40 DGAB CCc1cc(NC(=O)c2c(C)c3ccccc3oc2=O)nc(C)n1 83820380 AXUKLVWOLABNDP-UHFFFAOYSA-N 323.352 3.015 0 40 DGAB Cc1noc(C)c1C(=O)NCCc1c[nH]c2ccc(Cl)cc12 72405980 GSLAVKAWKAXEQW-UHFFFAOYSA-N 317.776 3.399 0 40 DGAB Cc1cc(-c2nnc(CN(C)c3cc(C(C)C)n[nH]3)o2)c(C)o1 89912731 WADGVTNGUFWPSM-UHFFFAOYSA-N 315.377 3.429 0 40 DGAB Nc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)cc1 95082475 GLUMREYZPZULMQ-UHFFFAOYSA-N 323.318 3.186 0 40 DGAB CCCCOCC(=O)Nc1cccc(-c2nc(C)c(C)[nH]2)c1 95398529 OWVMEKJJKRGWRZ-UHFFFAOYSA-N 301.390 3.449 0 40 DGAB Cn1nncc1CN[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95448939 LPVYPGMGMSGDFP-LBPRGKRZSA-N 318.730 3.252 0 40 DGAB CCc1ncsc1C(=O)N1CCCN(C)c2ccc(F)cc21 95432578 HPFFJSBKEJASCQ-UHFFFAOYSA-N 319.405 3.331 0 40 DGAB CC(C)(CO)NC(=O)/C=C/c1cc(C(F)(F)F)ccc1Cl 95444503 MZRUAUJZAMHPLZ-ZZXKWVIFSA-N 321.726 3.259 0 40 DGAB O=C(Cc1ccon1)Nc1cccc2oc(C(F)(F)F)nc12 95452136 NUMDXGDHNAAXPO-UHFFFAOYSA-N 311.219 3.016 0 40 DGAB Cc1c[nH]cc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 95954383 NVNDZUMRPJFFHN-HOTGVXAUSA-N 302.349 3.112 0 40 DGAB Cc1ncc([C@@H](C)N[C@@H](C)COc2ccc(F)cc2)c(C)n1 95967388 NWGROKZJMITEEY-NWDGAFQWSA-N 303.381 3.351 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)Cn1ccc(=O)c2ccccc21 95955061 IKIGIRLDWZAKIR-OAHLLOKOSA-N 320.392 3.221 0 40 DGAB CC[C@H](C)Oc1cc(C(=O)N(C)Cc2nc(C)cs2)ccn1 95991093 BAWQZHNSVOYSAJ-LBPRGKRZSA-N 319.430 3.296 0 40 DGAB C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1N(C)C 78894692 OZBWYDQQGBEAPK-GWCFXTLKSA-N 306.793 3.108 0 40 DGAB CN(Cc1nccs1)C(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 74847021 HZHBQDWCAUXQQI-ZJUUUORDSA-N 321.368 3.406 0 40 DGAB COc1cccc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)c1 89470238 BETJUJYZSITONE-OAHLLOKOSA-N 300.362 3.177 0 40 DGAB COc1cccc(-c2nsc(NC(=O)c3ccccc3)n2)c1 61997347 YGKARVKBEYSDQR-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(Cl)cc1 32667874 KQHFQCJKWQFANY-BDJLRTHQSA-N 317.772 3.185 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cccc(COC(C)C)c2)nc1 72265394 MOAASDILQTXDMT-UHFFFAOYSA-N 320.414 3.116 0 40 DGAB C[C@H]1C[C@@H](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(C)(C)C1 78569116 HGWWFWDPESEGLQ-JYJNAYRXSA-N 322.493 3.356 0 40 DGAB O=C(NCc1ccccc1F)c1ccc(Cn2ccnc2)cc1 32913072 DQRVFSPADQJSNA-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB CCOC(=O)CC(=O)c1ccc(Br)cc1Cl 34151310 KRHXEXDWAMHYNF-UHFFFAOYSA-N 305.555 3.238 0 40 DGAB Cc1nc(N(C)C)ccc1[C@@H]1CCCN1C(=O)c1ccccc1 72218747 PSGKMULVQBQGQR-KRWDZBQOSA-N 309.413 3.433 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)N[C@@H](C)c2ccccn2)cc1 76940754 NNVYPWSXCDQRRP-QWHCGFSZSA-N 316.426 3.448 0 40 DGAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NCCCOC 44899687 POWMNKMNBTYGGM-MRXNPFEDSA-N 301.386 3.150 0 40 DGAB O=C(NCCCN1CCCC1)c1ccc(SC(F)F)cc1 40039585 FQPFSQGNYCTWOC-UHFFFAOYSA-N 314.401 3.217 0 40 DGAB Cc1cc(C)c2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1C 20357834 FEAUMMRRQSYHNA-KBPBESRZSA-N 315.413 3.327 0 40 DGAB biogenic CC(C)NC(=O)c1cc2nc(C(=O)O)n(C(C)C)c2cc1Cl 225730797 BDVOVULKRORAOO-UHFFFAOYSA-N 323.780 3.107 0 40 DGAB C[C@@H](CCO)N[C@H](c1ccc(Br)cc1)c1ccco1 195555498 UVMHJIRRBIVGGA-XHDPSFHLSA-N 324.218 3.492 0 40 DGAB CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 41123197 MYBGILCCIMUXAT-NWDGAFQWSA-N 303.362 3.196 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2)cc1C 224602473 SBOOOCHNUPDCGZ-INIZCTEOSA-N 313.397 3.266 0 40 DGAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1cccnc1C(F)(F)F 530167022 WDURKRZZFAKGOS-SCVCMEIPSA-N 316.323 3.174 0 40 DGAB O=C(NC[C@H]1CCCO1)N(Cc1ccoc1)Cc1cccs1 225557906 OZIQIPILNNALSM-CQSZACIVSA-N 320.414 3.232 0 40 DGAB Cc1cccc(CS(=O)(=O)NC(C)(C)Cc2ccccc2)c1 40621163 DWMJPKFIPKRUFB-UHFFFAOYSA-N 317.454 3.436 0 40 DGAB CC[C@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225273753 KOOGCZQAEFAWBM-LBPRGKRZSA-N 305.447 3.207 0 40 DGAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](N)c1ccccc1 237112030 YRCPDVJUEHJYQI-HNNXBMFYSA-N 322.330 3.364 0 40 DGAB O=C(C[C@H]1CCCO1)NC1(c2cccc(Br)c2)CC1 96418907 VBKCUZJWCKRWGA-CYBMUJFWSA-N 324.218 3.124 0 40 DGAB C[C@@H](CNC(=O)CCc1cccnc1)Sc1ccccc1 96431695 ZEZPDAPTRBSNPC-AWEZNQCLSA-N 300.427 3.311 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2c(C)noc2C)C1 95411203 ZWPNMBNDVAKAHQ-QWHCGFSZSA-N 311.451 3.107 0 40 DGAB CO[C@](C)(CNC(=O)c1cc(C)oc1C)c1ccccc1F 96123444 HVIJAXZABFMVEM-QGZVFWFLSA-N 305.349 3.327 0 40 DGAB Cc1ccc(CNCc2ccc(C)o2)c(O[C@H]2CCOC2)c1 96466779 OEFCQYVNVWLTAM-KRWDZBQOSA-N 301.386 3.354 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)c(C)n2)cc1 257173540 QDKFQGLIWWDLEA-INIZCTEOSA-N 310.397 3.274 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccsc3)C2)c1 257236358 HBUCYDMCMFFFRM-GFCCVEGCSA-N 301.415 3.123 0 40 DGAB CC(C)Cc1nc(C(=O)Nc2cn(C)nc2C(C)C)cs1 280316227 XPBPSHBHOXKBCI-UHFFFAOYSA-N 306.435 3.451 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)N(C)CC3CC3)cc2)C[C@H](C)O1 50079894 OVGFVRBNQBOPMR-KBPBESRZSA-N 317.433 3.174 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)c1ccc(F)cc1 55750779 YYFMSMACTOAQJS-ZBEGNZNMSA-N 301.317 3.017 0 40 DGAB O=C(Nc1ccc(Cl)cc1)OC[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1CO 5493446 BAPOYRYFAYJTIF-JLUCKKNBSA-N 307.777 3.319 0 40 DGAB O=C(CCN1CCCCCC1)c1ccc2c(c1)OCCCO2 5582832 OEHPKAOXWXSAPK-UHFFFAOYSA-N 303.402 3.297 0 40 DGAB CN1CCCc2cc(CCNC(=O)Cc3cccs3)ccc21 11027647 DQOQQECYBXLODA-UHFFFAOYSA-N 314.454 3.032 0 40 DGAB CCn1cncc1CN(Cc1ccc(F)cc1)C[C@@H]1CCCO1 12143716 NGHNUGYTCPSNRV-SFHVURJKSA-N 317.408 3.223 0 40 DGAB Cn1cc([C@@H]2CCCCCN2C(=O)c2cccc(F)c2)cn1 12232534 UNMGCOVSNYUIPK-INIZCTEOSA-N 301.365 3.317 0 40 DGAB O=C(NCc1ccccc1OC(F)F)c1cc(F)cc(F)c1 12824992 FUGOYPSMVJXTJJ-UHFFFAOYSA-N 313.250 3.496 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)c1csc2c1CC[C@@H](C)C2 13000137 HTRJMFBTCTWUMA-RISCZKNCSA-N 323.458 3.190 0 40 DGAB COc1cc(NC(=O)CC(C)(C)C)ccc1N1CCCC1=O 5440179 DQDNWDWNHSDULO-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB CCc1cc(C(=O)Nc2ccc(Br)cc2F)ncn1 1888863906 DBIGQQFBDBGFMH-UHFFFAOYSA-N 324.153 3.193 0 40 DGAB Cc1ccc2nc(N3CC[C@@H](C(=O)NC(C)(C)C)C3)sc2c1 1889119418 XWKIXIIHSDIFMN-GFCCVEGCSA-N 317.458 3.346 0 40 DGAB Cc1nc(COc2ccc(Cl)cc2)sc1C(=O)N(C)C 40475687 FOXVNXNLRRVDSX-UHFFFAOYSA-N 310.806 3.386 0 40 DGAB CCCCOc1cccc(C(=O)Nc2sccc2C(N)=O)c1 4281503 PRHREKWOEQUYOI-UHFFFAOYSA-N 318.398 3.278 0 40 DGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1 4941193 GBJIBCYVSDSDBN-CQSZACIVSA-N 309.793 3.146 0 40 DGAB Nc1c(C(=O)N2CCCC2)sc(=S)n1Cc1ccccc1 12416072 LGWOSIJSHHFONJ-UHFFFAOYSA-N 319.455 3.146 0 40 DGAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1cccnc1 40108503 YDSJLBSGCIBAOM-LLVKDONJSA-N 319.202 3.205 0 40 DGAB Cc1ccc(NC(=O)c2ccc(-n3nc(C)cc3O)cc2)cc1 101160515 MRKAWZQNEXFJCV-UHFFFAOYSA-N 307.353 3.447 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2ccc3c(c2)OCO3)c1 20730892 RQCDESWBRMDOMZ-UHFFFAOYSA-N 324.336 3.017 0 40 DGAB Cc1nn(Cc2ccccc2)c(=S)n(Cc2ccccc2)c1=O 52448 HTOBCBDCRKMOLV-UHFFFAOYSA-N 323.421 3.179 0 40 DGAB CCCC[C@@H]1CCC[C@@H]1NC(=O)NC1CCC2(CC1)OCCO2 69766926 GTYHJQJVERPIOM-ZBFHGGJFSA-N 324.465 3.330 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(CC(C)C)cc1 339209 DEKFRHTXDOCUGI-MRXNPFEDSA-N 316.401 3.076 0 40 DGAB COc1ccc(CN(C)C(=O)c2cccc(N(C)C)c2)cc1F 32719729 PRGBTZQXHBRSSC-UHFFFAOYSA-N 316.376 3.173 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)c1cccc(F)c1 3590916 CACXUGMUSFDPND-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB Nc1ccccc1-c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 32869540 HNYPKZOYZDJFLW-UHFFFAOYSA-N 308.366 3.229 0 40 DGAB C[C@H]1CC=CC[C@@H]1C(=O)OCCOC(=O)[C@@H]1CC=CC[C@@H]1C 4782995 LHLCITNAENHCAB-YHUYYLMFSA-N 306.402 3.277 0 40 DGAB CCCNC(=O)c1nc(-c2cccc(C)c2)n(-c2ccccc2)n1 8476529 ONOHJRQYQZPIKA-UHFFFAOYSA-N 320.396 3.383 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1 21895375 YPMISJHJAKZOOG-CHWSQXEVSA-N 300.402 3.153 0 40 DGAB C[C@H](NC(=O)Nc1cccnc1)c1ccc2c(c1)OCCCO2 42310692 RJUGGBHMOCVBED-LBPRGKRZSA-N 313.357 3.126 0 40 DGAB O=C(NC1CC1)[C@@H](c1ccc(F)cc1)N1CCc2ccccc2C1 12485877 ZPPYSHBECAJMRO-LJQANCHMSA-N 324.399 3.204 0 40 DGAB CCc1noc([C@@H](C)N2CCN(c3ccccc3Cl)CC2)n1 42651836 ZBXCKUMGEBHZGL-GFCCVEGCSA-N 320.824 3.169 0 40 DGAB CN(C)C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105881569 VZIXRHGIXNWFBT-DKIMLUQUSA-N 300.446 3.232 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCc2ccccc21 43359892 LFERZVMVUSLJAY-GFCCVEGCSA-N 300.387 3.225 0 40 DGAB COc1ccccc1CN(C1CC1)S(=O)(=O)c1cccs1 56120062 JXECPKILCJGUNH-UHFFFAOYSA-N 323.439 3.110 0 40 DGAB CCc1noc(C)c1C(=O)NCc1coc(-c2cccs2)n1 26065883 DKAALVAFKTXWDB-UHFFFAOYSA-N 317.370 3.192 0 40 DGAB CS[C@@H]1CCC[C@@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 108351986 PFGCAHHLDIBNMX-BFYDXBDKSA-N 319.470 3.397 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N1CCCCCC1 3328045 SDLFIXBMUHLBDY-SNVBAGLBSA-N 300.324 3.307 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)N[C@@H]2CCc3ccccc32)C1 48283974 XRYPQJJGHAEXRX-CRAIPNDOSA-N 315.461 3.095 0 40 DGAB O=C(OCCOc1ccccc1F)c1cnc2ccccc2n1 36778864 KTNLSFCGNMXOKG-UHFFFAOYSA-N 312.300 3.005 0 40 DGAB O=C(NC[C@@H]1CCOC1)Nc1cccnc1Oc1ccccc1 48301684 DJHZDWXAPFEDSO-ZDUSSCGKSA-N 313.357 3.032 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 13137704 VDQAPMFOKAEHLE-UHFFFAOYSA-N 322.286 3.317 0 40 DGAB CC(C)N1CC[C@@H](NC(=O)C(c2ccccc2)c2ccccc2)C1 70861349 QKPIXNKTABKMFC-LJQANCHMSA-N 322.452 3.417 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)cc2)CC1 19894294 MSESIUBTKMXMTG-UHFFFAOYSA-N 308.397 3.315 0 40 DGAB C[C@@H](c1ccccc1)n1cnc2c(cnn2-c2ccccc2)c1=O 5031460 PJUVTAJIPXCXKP-AWEZNQCLSA-N 316.364 3.192 0 40 DGAB CC(C)c1nn(C)c(N(C)C)c1CN[C@H]1CCc2ccccc21 65517661 DPELFOWAEZNZAH-KRWDZBQOSA-N 312.461 3.387 0 40 DGAB Cc1nc(CNC(=O)N(Cc2ccccc2F)C2CC2)cs1 71793563 GMUBMAPHOKJZSO-UHFFFAOYSA-N 319.405 3.465 0 40 DGAB COc1ccccc1CNC(=O)c1nc(Cl)ccc1Cl 6647434 YJWWWBZJKFVOMD-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB COc1ccc(COCCCNc2ncnc3ncccc23)cc1 96483798 LYCVUHUUGJTPJG-UHFFFAOYSA-N 324.384 3.052 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)C23CC4CC(CC(C4)C2)C3)C1 4925764 IQYWRKSALNVHLD-LZUXJJCOSA-N 319.445 3.005 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1 6933648 JAQGLSJIFJNIEI-ZDUSSCGKSA-N 303.431 3.058 0 40 DGAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccc(O)cc1 15669596 KHEWLXDWCXOLFB-UHFFFAOYSA-N 323.352 3.404 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=S)NC1CC(C)(C)NC(C)(C)C1 7570378 DXMZXLDBDTUPSJ-OCCSQVGLSA-N 311.539 3.338 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccoc2C)c1C 7858303 ZWJIMVMGGDLFBA-LBPRGKRZSA-N 317.341 3.164 0 40 DGAB O=C(CSc1ccc(F)cc1F)Nc1ccc2c(c1)OCO2 7921040 VEJKZAWSVZLYKD-UHFFFAOYSA-N 323.320 3.424 0 40 DGAB Cc1nc(Sc2nnnn2C2CC2)c2c(C)c(C)sc2n1 8074357 WIQVOWDZHWIVHH-UHFFFAOYSA-N 318.431 3.089 0 40 DGAB CCn1cc(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)cn1 17054092 UDSWFFHASGSBEH-UHFFFAOYSA-N 316.792 3.010 0 40 DGAB CCc1nc(C)c([C@H](C)N(C)Cc2cc(C(N)=O)cs2)s1 93612629 KQULTFCWIMAEHD-JTQLQIEISA-N 323.487 3.367 0 40 DGAB Cc1ccc(C)n1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 8475617 ICFHTEVYFLJJAQ-UHFFFAOYSA-N 323.352 3.334 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C(=O)NC2CC2)c2ccccc2)n1 17673788 SJXKIVRWZMDKFQ-ZDUSSCGKSA-N 316.430 3.040 0 40 DGAB COc1ccc(F)cc1CNC1(c2noc(C)n2)CCCCC1 71833201 JAGNUMUNHAQGFJ-UHFFFAOYSA-N 319.380 3.475 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@@H]3c3ccccc3)ccc21 71847644 HCPZALIEDJOJLQ-SJORKVTESA-N 320.392 3.338 0 40 DGAB CC(C)NC(=O)Cc1ccc(NC2CCN(C(C)C)CC2)cc1 97082116 ODHXWRFYYIJQII-UHFFFAOYSA-N 317.477 3.038 0 40 DGAB CCOc1cc(NC(=O)C(=O)Nc2ccc(C)cc2)ccc1C 72286822 MZIZEXNNGFPPBO-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)CC3CCOCC3)C2)sc1C 72297410 NKIVRQVQYWFAPI-OAHLLOKOSA-N 322.474 3.283 0 40 DGAB CCc1ncc2c(n1)CN(Cc1cccc3cccnc13)CC2 72268439 YZTMJIHCXSULEN-UHFFFAOYSA-N 304.397 3.146 0 40 DGAB CCc1nc([C@@H](C)NCC(=O)Nc2ccc(Cl)cn2)cs1 97112273 MJZBUWAFHXAKHX-SECBINFHSA-N 324.837 3.043 0 40 DGAB Cc1cccc2nc(C(=O)O[C@@H]3[C@@H]4CCCO[C@@H]4C3(C)C)cn12 97212692 DVBVYLFXVGHCCS-UHOFOFEASA-N 314.385 3.003 0 40 DGAB CCC(CC)[C@@H](CNCc1sccc1C)N1CCOCC1 97287633 GHLRNZQEVBHVRF-MRXNPFEDSA-N 310.507 3.283 0 40 DGAB Cc1cc(NC(=O)[C@@H]2CCOc3ccccc32)nc(C(C)C)n1 76801325 ZHICFRVUXTWEGQ-CQSZACIVSA-N 311.385 3.413 0 40 DGAB CCOC(=O)CCCCN1CCC[C@@H](c2ncc(C)s2)C1 95399815 YXTIIJNRCJDGGO-CQSZACIVSA-N 310.463 3.364 0 40 DGAB CC(C)n1c(CNC[C@H]2CCCn3ccnc32)nc2ccccc21 84633111 BRDOJHIUYFMVEI-OAHLLOKOSA-N 323.444 3.481 0 40 DGAB CC[C@@H](NS(=O)(=O)Cc1ccccc1)c1ccc(OC)cc1 25766749 KXSFODLTTNAGLA-QGZVFWFLSA-N 319.426 3.266 0 40 DGAB Cc1[nH]ncc1CCCN[C@@H](C)c1ccc(F)cc1N(C)C 95420041 BRNHPFJLYDQXDO-ZDUSSCGKSA-N 304.413 3.207 0 40 DGAB O[C@H](COCc1cccs1)Cn1ccc(-c2ccccc2)n1 95438780 NSSZFFQPULEYJN-HNNXBMFYSA-N 314.410 3.189 0 40 DGAB O=C(CSc1nc2ccccc2o1)Nc1ccc2[nH]ncc2c1 73573024 UAUSOMHQYQXNAB-UHFFFAOYSA-N 324.365 3.435 0 40 DGAB C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 73656825 SVRFXOKOXZLDFC-NEPJUHHUSA-N 314.426 3.299 0 40 DGAB O=C(c1ccc2ccccc2n1)N1CCOc2ccc(F)cc21 88265463 FZINEXIADYUCRF-UHFFFAOYSA-N 308.312 3.413 0 40 DGAB C[C@H]1COCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 95948547 ATNLHNZRWGTKIP-AWEZNQCLSA-N 324.380 3.170 0 40 DGAB COc1ccc(CNc2ccncc2Cl)c(OC)c1OC 89435097 OEKDQGKCMDSGCZ-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB Cc1nc(CCNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)c(C)o1 89547989 NFVUUGUMBHFSEA-LSDHHAIUSA-N 318.804 3.407 0 40 DGAB COCCOCCN1CC=C(c2c[nH]c3cc(F)ccc23)CC1 79399985 OETFHIKZTIENIU-UHFFFAOYSA-N 318.392 3.059 0 40 DGAB CC(C)c1ccc(NC(=O)NCCc2nc[nH]n2)c(C(C)C)c1 89893382 HEAXPJZERXJKSO-UHFFFAOYSA-N 315.421 3.416 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccc4c(c3)OCO4)cc2c1 409189411 KTQJBNHMYNYATI-UHFFFAOYSA-N 311.293 3.422 0 40 DGAB CCc1ccc2c(c1)c(C)c(C(=O)NCc1ccccn1)n2C 33435944 VNRGIXLJRWELNW-UHFFFAOYSA-N 307.397 3.374 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H](c2ccccc2)n2cnnn2)cc1 32104388 NLSQCFYJHCVAGI-QGZVFWFLSA-N 321.384 3.025 0 40 DGAB O=C(NCc1ccccc1)c1ccc(-c2ccc(=O)[nH]c2)s1 72260067 ZHZSQAZRZDNNOH-UHFFFAOYSA-N 310.378 3.033 0 40 DGAB CCCNC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 188941070 GPMRAZYRXSPUCS-UHFFFAOYSA-N 312.816 3.217 0 40 DGAB O=C(NCC(F)(F)F)Nc1ccccc1N1C[C@H]2CC[C@H]1C2 225484170 VIHVUUOBRMSZHK-QWRGUYRKSA-N 313.323 3.359 0 40 DGAB Cc1ccsc1CN(C)CCC(=O)Nc1cc(N)ccc1F 81645696 HWAZPJOTYGRBGF-UHFFFAOYSA-N 321.421 3.238 0 40 DGAB COC(=O)c1ccc(Cn2ccc(=O)c3cc(Cl)ccc32)o1 40175719 WFMKPWHYEXBNRU-UHFFFAOYSA-N 317.728 3.083 0 40 DGAB CCn1c(Cl)nc2cc(C(=O)NCc3ccncc3)ccc21 222542138 RTFGETDPIDCURQ-UHFFFAOYSA-N 314.776 3.035 0 40 DGAB CCC(C)(C)CNC(=O)Nc1ccc2c(c1)NC(=O)CS2 190782783 CCNDSMYFMXSUCH-UHFFFAOYSA-N 307.419 3.289 0 40 DGAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225611781 PGBHUIUJHOKRJR-GOSISDBHSA-N 322.449 3.161 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 222903164 QAWMTRGGIIGDAI-HUUCEWRRSA-N 301.415 3.303 0 40 DGAB O=C(/C=C/c1ccccc1)N(CC(F)(F)F)C1CCOCC1 75166617 ZMIRPQLBDWXWRC-VOTSOKGWSA-N 313.319 3.270 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)N[C@H](C)CC 225206860 GCFCONRTNCLKKE-OLZOCXBDSA-N 324.852 3.382 0 40 DGAB Cc1cccc(NC2CCN(Cc3nnc(C4CC4)o3)CC2)c1 96421196 AIKATENYQKCYRQ-UHFFFAOYSA-N 312.417 3.332 0 40 DGAB Cc1cccc(C2=NN(C(=O)[C@H]3CCCO3)[C@@H](c3ccco3)C2)c1 95115892 FBRDIGGTFVJXQV-SJLPKXTDSA-N 324.380 3.445 0 40 DGAB O=c1oc2cccnc2n1Cc1csc(Cc2ccccc2)n1 96448182 OWGWDHKTTYBWPW-UHFFFAOYSA-N 323.377 3.085 0 40 DGAB O=C(NCC1(O)CCC1)Nc1ccccc1N1CCCCCC1 96415789 ISIRIBBUTUUVDE-UHFFFAOYSA-N 317.433 3.104 0 40 DGAB CO[C@@H](CNC(=O)c1cccnc1C)c1cccc(Cl)c1 96431904 NNDQRLKBEOPSRA-HNNXBMFYSA-N 304.777 3.161 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccoc2)C[C@@H]1Cc1cccc(C)c1 96110203 FDXSKHCKGHHEGL-ZWKOTPCHSA-N 313.397 3.308 0 40 DGAB c1cncc(CN2CCC3(CCN(Cc4ccco4)CC3)C2)c1 96046505 PHSUEDZXUWCHBT-UHFFFAOYSA-N 311.429 3.163 0 40 DGAB CNC(=O)c1ccc(OC)c(NCc2cccc3cccnc23)c1 96453360 ZITWRLPTVZURDX-UHFFFAOYSA-N 321.380 3.215 0 40 DGAB CCN(C(C)=O)[C@H]1CN(Cc2cccnc2)C2(CCCCC2)C1 257243756 IIKYOQSABPSVMT-GOSISDBHSA-N 315.461 3.227 0 40 DGAB C[C@H]1C[C@@H](N(C)Cc2cnsn2)CCN1Cc1ccccc1 585090673 NKAGPKKBVMPWLN-YOEHRIQHSA-N 316.474 3.023 0 40 DGAB C[C@]12CCCN(C(=O)c3cc4ccccc4[nH]3)[C@H]1CCCCN2 257217040 CXEMGZSNGGUQND-HKUYNNGSSA-N 311.429 3.305 0 40 DGAB Cc1ccc(-c2cc3ccc(-n4cncn4)cc3oc2=O)cc1 255189895 SVGIJEBLBPDVSS-UHFFFAOYSA-N 303.321 3.349 0 40 DGAB COc1ccc(C(=O)CC2(CC(=O)O)CCCC2)cc1OC 95634210 CXYFWJGWGVPWKK-UHFFFAOYSA-N 306.358 3.312 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2occc2C)cc1 48910164 BDTFZAGYXMNLDH-CYBMUJFWSA-N 314.385 3.046 0 40 DGAB COCCNc1ccc(CNC(=O)Nc2ccccc2F)cc1 58329053 NWKQZOAVDOIZEZ-UHFFFAOYSA-N 317.364 3.206 0 40 DGAB OC1CCC(N[C@@H]2CCc3cc(Br)ccc3C2)CC1 90799853 QLIIGKWCMAJNES-HWOWSKLDSA-N 324.262 3.200 0 40 DGAB O=C(c1ccccc1F)N1CCC(O)(c2ccc(F)cc2)CC1 12144507 ZUNDUALQJAMWFP-UHFFFAOYSA-N 317.335 3.089 0 40 DGAB CC(C)C(=O)Nc1cc(Br)c2nc(N)sc2c1 226308754 UZWHYWUYNVKXGE-UHFFFAOYSA-N 314.208 3.236 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCCOc2ccccc2F)cc1 6347713 BYNPCSZGYYVFOO-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 51052 RKYIEPATGAUQPC-AWEZNQCLSA-N 304.390 3.333 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(OC)c1 173006 XYASTVNLIUEYBR-GDNBJRDFSA-N 309.321 3.048 0 40 DGAB CC(C)Sc1ncccc1C(=O)NCc1ccc(O)cc1 51035324 GMFWPTUISCDWFQ-UHFFFAOYSA-N 302.399 3.218 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)Nc1nc(C2CC2)cs1 20542484 JGXPFHFIZBPBIT-UHFFFAOYSA-N 317.370 3.436 0 40 DGAB CCc1nccn1S(=O)(=O)c1ccc2ccc(C)cc2c1 297207 RJINJJTXFOGBME-UHFFFAOYSA-N 300.383 3.144 0 40 DGAB O=C(CCC1CCCC1)Nc1ccn(CCc2ccncc2)n1 69513652 OFOUHWGEAIHNEW-UHFFFAOYSA-N 312.417 3.430 0 40 DGAB Fc1ccc(-c2cn3nc(NC[C@@H]4CCOC4)sc3n2)cc1 52007363 CVVLXLIAVWFKFK-JTQLQIEISA-N 318.377 3.045 0 40 DGAB ClC(Cl)(Cl)[C@@H]1CCO[C@@H]1n1nnc2ccccc21 1648749 AZWFGWXLPYOQGI-XCBNKYQSSA-N 306.580 3.337 0 40 DGAB COc1cc([C@@H](C)S(=O)(=O)c2ccc(C)cc2)ccc1O 1703895 WTGVEADLMJHPIC-GFCCVEGCSA-N 306.383 3.244 0 40 DGAB CCN(CC)c1ccc(C(=O)NN2Cc3ccccc3C2=N)cc1 102187671 IRCKVJCIGJYNNJ-UHFFFAOYSA-N 322.412 3.019 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1cc(C)oc1C)OCO2 21346378 ZKCPLJXVZJBBRQ-UHFFFAOYSA-N 301.298 3.080 0 40 DGAB O=c1[nH]c2c(s1)[C@H]1c3cc(Cl)ccc3OC[C@@H]1CS2 4540116 RATQJCFBIKCPOR-LHLIQPBNSA-N 311.815 3.336 0 40 DGAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2Cc1cccs1)C1CC1 4888087 LVXGCGTZFCANHR-GOOCMWNKSA-N 304.459 3.160 0 40 DGAB Cn1c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)cc(Cl)c1Cl 46495122 GUAFDFNKRFQJTL-ZYHUDNBSSA-N 317.216 3.116 0 40 DGAB Cc1cc(OCC(=O)/N=c2/sccn2C)ccc1C(C)C 7780315 BUGHCPLXVMHBAZ-WUKNDPDISA-N 304.415 3.025 0 40 DGAB CCOC(=O)c1ccc(CS(=O)(=O)c2ccc(C)cc2)cc1 566892 QHWBTUPDJQYVIU-UHFFFAOYSA-N 318.394 3.146 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)N1CCc2ccccc21 46826390 QHCCGALRXQTARU-UHFFFAOYSA-N 311.385 3.141 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(Cl)cc1 22665879 BTBFBZRGEPGLKQ-UHFFFAOYSA-N 303.745 3.341 0 40 DGAB O=C(c1c[nH]c(-c2ncn[nH]2)c1)c1ccc(Cl)cc1Cl 3069897 XOKHXJOIILDLQE-UHFFFAOYSA-N 307.140 3.338 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)C2=COCCO2)cc1 24392296 HJLPQXLDDRDOIV-INIZCTEOSA-N 317.385 3.027 0 40 DGAB Cc1ccccc1-n1nc(C)c(CN(C)C(=O)NC2CC2)c1C 55085171 CYRLVEZGBMRPOX-UHFFFAOYSA-N 312.417 3.101 0 40 DGAB Cn1c(CSc2cccc[n+]2[O-])nc2cc(Cl)ccc21 43242971 KQMDJSJQKDDULX-UHFFFAOYSA-N 305.790 3.152 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)OC23CCCCC3)cc1F 57355720 MWTRGGNEDQYVLU-ZDUSSCGKSA-N 305.349 3.339 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NCc2cccc(F)c2)c(C)c1 58754990 WJCBCDHOVHGKNW-UHFFFAOYSA-N 307.390 3.229 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 20482469 QDQQRPFQILVKSG-GOSISDBHSA-N 315.438 3.492 0 40 DGAB CCCCNC(=O)C[S@](=O)Cc1c(Cl)cccc1Cl 58130999 YGXCKTYZTYRDLI-IBGZPJMESA-N 322.257 3.158 0 40 DGAB CCc1nnc(NC(=O)[C@H](CC)Oc2ccccc2F)s1 27663660 YRNAFNOHZHHLID-JTQLQIEISA-N 309.366 3.036 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccnc(-n2ccnc2)c1 58331444 KAVWVFVBUFIRLK-GFCCVEGCSA-N 324.409 3.088 0 40 DGAB COc1ccc(OCCSC2=N[C@@H]3CCCC[C@H]3N2)cc1 12866421 NOZUYOHBQCERAJ-HUUCEWRRSA-N 306.431 3.078 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2c(C)noc2C(C)C)c1 12883502 DKOKXIRTKQOXTB-UHFFFAOYSA-N 318.373 3.054 0 40 DGAB c1ccc(-c2nnc(CSc3nnc4ccccn34)o2)cc1 3531747 LFPFMPWRBNHLDF-UHFFFAOYSA-N 309.354 3.072 0 40 DGAB Cn1ccc(NC(=O)/C=C/C2=Cc3cc(Cl)ccc3OC2)n1 12942470 BIBIDULOOIYBOH-GORDUTHDSA-N 315.760 3.044 0 40 DGAB Cc1ccc2c(c1)C(C)(C)[C@@]1(/C=C/c3ccco3)NC(=O)CN21 4000142 KXIYVJOXUUXPPS-SGQUHAKNSA-N 308.381 3.225 0 40 DGAB biogenic C[C@@H](NC(=O)c1ccc(NC2CC2)nc1)c1nc2ccccc2[nH]1 49978085 JKYSYGWQPCUGIJ-LLVKDONJSA-N 321.384 3.023 0 40 DGAB Cc1ccc(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c(C)c1 39983748 VQIYFSSETIXJGZ-LJQANCHMSA-N 324.424 3.315 0 40 DGAB c1cc(CN2CCCC[C@@H]2c2ncc[nH]2)c2c(c1)OCCCO2 92728427 ICFLVHBVKQNUGZ-OAHLLOKOSA-N 313.401 3.298 0 40 DGAB c1ccc2oc(CSc3nnnn3C3CCCC3)nc2c1 14117211 HAYWNCDSFFQMRV-UHFFFAOYSA-N 301.375 3.222 0 40 DGAB C[C@H]1C[C@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C(=O)O1 96308894 HLDMLPVWUINCCM-GTNSWQLSSA-N 314.360 3.100 0 40 DGAB Cc1nc(C(F)(F)F)c(-c2n[nH]c(-c3cccnc3)n2)s1 5753147 XXICLZWLOJGXSL-UHFFFAOYSA-N 311.292 3.317 0 40 DGAB COc1ccc(CN(C)Cc2nnc(-c3ccccc3)o2)cc1 7652638 SBWWLEZLQUHHTD-UHFFFAOYSA-N 309.369 3.377 0 40 DGAB Cc1ccc(-c2nc(C(=O)NC[C@@H]3CCCO3)cs2)cc1 9366231 HAJXXBHIKNJGLV-ZDUSSCGKSA-N 302.399 3.027 0 40 DGAB COc1cc2c(cc1/C=C/C(=O)N1CCCCCC1)O[C@@H](C)C2 8157351 LOZKYDQYNBBMGZ-NPQIQWPPSA-N 315.413 3.434 0 40 DGAB Cc1noc(C2CCN(c3ccnc4ccsc34)CC2)n1 91455262 GFABQQJCEBPJMB-UHFFFAOYSA-N 300.387 3.372 0 40 DGAB CCOc1cc(S(=O)(=O)NC2CCCCC2)ccc1Cl 19942732 IONAGLDEXGPVHY-UHFFFAOYSA-N 317.838 3.350 0 40 DGAB Cc1cccc(OCCNC(=O)N2CCc3ccccc3C2)c1 9869493 FRIHQXGMHQKTQS-UHFFFAOYSA-N 310.397 3.142 0 40 DGAB C[C@H](C(=O)N(Cc1ccc(F)cc1)CC1CC1)n1cccn1 71908740 RLABOSILIFHKMT-CYBMUJFWSA-N 301.365 3.022 0 40 DGAB CCc1ccccc1NC(=O)COc1cccc(-n2ccnc2)c1 72296214 ZLJPMNDTJRJXMT-UHFFFAOYSA-N 321.380 3.452 0 40 DGAB CC[C@@H](CNC(=O)Cc1csc(C)n1)Oc1cccc(F)c1 84561079 LRMDQKXWDCZQRH-AWEZNQCLSA-N 322.405 3.107 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1C[C@@H]1c1ccco1 84563013 YADDZJLRYNPRNQ-KBPBESRZSA-N 308.337 3.355 0 40 DGAB C[C@@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)c1cccs1 84661318 FESGRBUAFMZXJT-PWSUYJOCSA-N 317.414 3.476 0 40 DGAB Cc1[nH]nc(C(F)F)c1NC(=O)Nc1cccnc1Cl 95455775 ABOISBGLMSTEEQ-UHFFFAOYSA-N 301.684 3.348 0 40 DGAB Cn1ccnc1[C@H]1CCCN1CCSc1ccccc1F 95456031 LHXXEWQLWDDKCB-CQSZACIVSA-N 305.422 3.488 0 40 DGAB CC(C)CSC[C@H](C)N[C@@H](CO)Cc1c[nH]c2ccccc12 95968086 XPVHXHBCNCXZJV-GOEBONIOSA-N 320.502 3.439 0 40 DGAB CCN(CCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 9919490 JZHMPVXMEIOHPJ-UHFFFAOYSA-N 322.412 3.209 0 40 DGAB COC[C@@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 89409930 GVYYTXWDAVHTAW-MJGOQNOKSA-N 319.445 3.103 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)c2cc[nH]c2C)n1 89595837 RNYNHERPJINWQM-UHFFFAOYSA-N 308.385 3.056 0 40 DGAB Cc1nc(CCCC(=O)N2CCOc3ccccc3C2)cs1 89709079 BWCYVXBHANNEHQ-UHFFFAOYSA-N 316.426 3.195 0 40 DGAB O=C(NC[C@H](O)c1cc2ccccc2s1)c1cc(Cl)c[nH]1 89873099 AWSVVBDQACYPKU-LBPRGKRZSA-N 320.801 3.346 0 40 DGAB CCc1ccccc1NC(=S)NC(=O)c1ccc(OC)cc1 408594187 GVEWOQGVBABOQZ-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 72227392 BGAQQMMWUQPCJQ-ZIAGYGMSSA-N 307.180 3.409 0 40 DGAB CCCc1sc(C(=O)N2CCC(C(=O)O)CC2)cc1CC 36972776 IAZBREDIKAEFED-UHFFFAOYSA-N 309.431 3.200 0 40 DGAB Cc1cc([C@H]2CCCCN2CC(C)C)cnc1N1CCOCC1 72219363 GCVZFSHFJBDAMU-GOSISDBHSA-N 317.477 3.410 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)N[C@@H](C)CC 225090980 MMNRRTZSJFPZLK-HOTGVXAUSA-N 318.461 3.427 0 40 DGAB C[C@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 195575704 VIWPVMIFSMWPAN-LBPRGKRZSA-N 324.446 3.275 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2ccnc(N3CCCCC3)n2)c1 224208062 LAHYDILAZYMLAF-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB Fc1cc(Br)ccc1OCC[C@H]1CCCCN1 42773607 PTDBSBLPOUUUOI-LLVKDONJSA-N 302.187 3.499 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CC 225192853 OLJRTSIZPDGKGR-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB CCN(c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)c(F)c1 225094785 CHAKFPUTXZAXNP-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)c1C 225749181 ZRBRKHDWKNBLMW-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB CC(C)(C)[C@H]1CCCN(C(=O)CCCCc2c[nH]nn2)CC1 139354070 HHNHFPYAPLDJMJ-AWEZNQCLSA-N 306.454 3.192 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc(-c3ccccn3)no2)c1 96183979 UWDJHHFIVIVBRL-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB CS[C@H]1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 96501491 QDJWUWUTMVULIQ-KGLIPLIRSA-N 306.479 3.206 0 40 DGAB CN(CC1CCOCC1)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 96497072 IIJRIDWGDMSKTM-GFCCVEGCSA-N 324.387 3.422 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCc1cnoc1 239808100 KHHFHWRKBSTXDY-UHFFFAOYSA-N 322.792 3.234 0 40 DGAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)Oc1ccccn1 231430693 ZYRPNOCBOCAFPN-UHFFFAOYSA-N 321.398 3.155 0 40 DGAB CCOC(=O)CCCCN1CCC[C@H](N2CCCCCC2)C1 96417424 QXBFVEOQXRIZMY-KRWDZBQOSA-N 310.482 3.060 0 40 DGAB Cc1ccc(C(=O)N2CC(Cc3nccc4ccn(C)c34)C2)cc1 257328120 XEFWJVVRJOGCSU-UHFFFAOYSA-N 319.408 3.196 0 40 DGAB c1ccc(Nc2cc([C@@H]3CCCN3Cc3c[nH]cn3)ccn2)nc1 257326105 WVVISBZYXBIYGV-INIZCTEOSA-N 320.400 3.280 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@H](Cc2cccnc2)C1 257243558 IHNHBWDBVSJAJV-OAHLLOKOSA-N 313.401 3.035 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3c(C)noc3C)CC[C@@]2(C)C1 257300793 RVSJPUZJPZCCBN-KYJSFNMBSA-N 320.433 3.030 0 40 DGAB O=C(O)CN1C[C@H]2CCC[C@H](Cc3ccc(Cl)cc3)[C@H]2C1 257273582 NHGREHYYFDVPAQ-IIAWOOMASA-N 307.821 3.315 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1ccsc1 13011212 GCGZPEPWCRJVBJ-AWEZNQCLSA-N 308.834 3.434 0 40 DGAB Cc1ccc(N2C[C@](O)(c3cccs3)[N+]3=C2CCCC3)cc1 15953374 JVOFNBBDUCBYOB-SFHVURJKSA-N 313.446 3.317 0 40 DGAB COc1ccc(-c2[nH]c3ncccc3c2CN2CCOCC2)cc1 19557827 POBWKRJHJJZAEB-UHFFFAOYSA-N 323.396 3.071 0 40 DGAB CCc1nc(C)cn1S(=O)(=O)c1ccc(C(C)(C)C)cc1 27588377 QQIKDLWBIZHUCC-UHFFFAOYSA-N 306.431 3.288 0 40 DGAB COC(=O)[C@@H]1CCCCN1Cc1csc(-c2ccc(C)o2)n1 29710692 JOSRECXZYIHLAL-ZDUSSCGKSA-N 320.414 3.239 0 40 DGAB Cc1ccc(CNC(=O)N2CCc3sccc3C2)cc1F 31728570 OHYUUISAUFYASD-UHFFFAOYSA-N 304.390 3.464 0 40 DGAB O=C(Nc1cccc(-c2nc3ccccc3o2)c1)C1=COCCO1 4275439 KNQAGKFORBIKNQ-UHFFFAOYSA-N 322.320 3.322 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)NC3=O)cc1 4626573 SHEXLAAJIPLYLD-OAHLLOKOSA-N 307.328 3.357 0 40 DGAB O=C(C1CC1)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1 11074063 PGNPDSQHWTYRBC-GFCCVEGCSA-N 320.389 3.357 0 40 DGAB CO[C@H](CNc1nccc(C(F)(F)F)n1)c1ccsc1 1775972432 GEPYDBBYTVYSCL-SECBINFHSA-N 303.309 3.357 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H]1CCCN1c1ccccc1 211115595 YIURWRSNFAVMNJ-JKIKYLSZSA-N 306.409 3.485 0 40 DGAB O=C(Cc1csc(-n2cccc2)n1)Nc1ccc(F)c(F)c1 36708376 RJYFQQDJGQWMEO-UHFFFAOYSA-N 319.336 3.393 0 40 DGAB CCN(CC)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50080966 KDOPEKNJWHUIOX-ZIAGYGMSSA-N 305.422 3.174 0 40 DGAB COc1ccc([C@@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100640764 VGXDUIAFPFVOJK-KRWDZBQOSA-N 304.353 3.343 0 40 DGAB Cc1cc(N2CCOCC2)ccc1NC(=O)[C@@H]1CC=CCC1 40510091 QIGNBENFCBOPFS-OAHLLOKOSA-N 300.402 3.126 0 40 DGAB COc1ccc([C@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1 206553 SLYYYODCGYREOZ-AWEZNQCLSA-N 300.310 3.031 0 40 DGAB biogenic Clc1ccc(COc2ccccc2CNn2cnnc2)cc1 52097 XDCHKSMIGZPFTL-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB Cc1ccc([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 105133 AATJFFJZXDUIAL-IAGOWNOFSA-N 306.365 3.165 0 40 DGAB biogenic CCOC(=O)[C@@H](CC)Sc1nnc(-c2ccc(F)cc2)o1 922328 HGGYOLKVESNDAS-LLVKDONJSA-N 310.350 3.310 0 40 DGAB CC1(C)[C@]2(C(=O)NCc3ccccc3Cl)CC[C@@]1(C)C(=O)O2 2884154 MONHAPHRAVDIBX-DLBZAZTESA-N 321.804 3.078 0 40 DGAB COc1ccc(Br)cc1C(=S)N1CCCC1 6170605 RQYAOXKZYKRLPO-UHFFFAOYSA-N 300.221 3.229 0 40 DGAB CCOC(=O)c1ccc(COC(=O)c2ccccc2F)cc1 6844336 KZQRDYHYBVLNJM-UHFFFAOYSA-N 302.301 3.359 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)s1 21601057 YBYGNCJQDAVMQV-SECBINFHSA-N 302.355 3.028 0 40 DGAB O=C(Nc1nccs1)c1csc(Cc2ccccc2)n1 32914068 SSYZBOZCPKBSKC-UHFFFAOYSA-N 301.396 3.443 0 40 DGAB O=C(CN1CCCC1=O)Nc1ccc(Oc2ccccc2)cc1 8071391 HIOWRUZCBZOAJQ-UHFFFAOYSA-N 310.353 3.040 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1 27986918 USMVCGZWEZGAGN-DIFFPNOSSA-N 313.328 3.037 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CC[C@H]1c1ccccc1 46875854 GHWIMRQGDQUYSJ-IRXDYDNUSA-N 308.381 3.147 0 40 DGAB CCN(C(=O)Nc1nncs1)[C@H](C)c1cccc(OC)c1 47320376 UGEBJYRADUOJIC-SNVBAGLBSA-N 306.391 3.162 0 40 DGAB CC(C)CCC[C@@H](C)NC(=O)c1cnn(-c2ccccc2)n1 23228074 HWUSMYNOKKLRGH-CQSZACIVSA-N 300.406 3.212 0 40 DGAB CCCn1ccc(C(=O)Nc2nc3c(C)cccc3s2)n1 28245080 XZHDQHCMYXHXTK-UHFFFAOYSA-N 300.387 3.464 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@@H]2CC[C@@H]1C2 102798359 FXQVPKZHZRWGSL-NUJGCVRESA-N 313.441 3.287 0 40 DGAB O=C(CN1CCCc2cccc(F)c21)Nc1cccc(F)c1 25043862 CROZDFSGHUTSSA-UHFFFAOYSA-N 302.324 3.356 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)CSc1ccccn1 12524990 OTPAPPLYOXOORC-CQSZACIVSA-N 300.427 3.311 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc2c(c1)CCCC2 12579686 MAFORVRRBXIODJ-LBPRGKRZSA-N 320.396 3.328 0 40 DGAB CNC(=O)c1cn(-c2ccc(Cl)cc2)c(=O)c2ccccc12 1402414 FIXULQCTCUUMMG-UHFFFAOYSA-N 312.756 3.004 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccc3[nH]nnc3c2)cc1 12540442 OEVLYDNRKYNTMD-UHFFFAOYSA-N 309.373 3.056 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C=O)cc1 22114960 VYVNPEOHUFEKQU-UHFFFAOYSA-N 309.774 3.262 0 40 DGAB O=C(Nc1ccncc1)C1CCN(c2nc3ccccc3o2)CC1 12528477 VTIWYDGDODQCOR-UHFFFAOYSA-N 322.368 3.078 0 40 DGAB CCCC1=C(C(=O)OCC)[C@H](c2ccc(C)cc2)NC(=S)N1 23987985 YUFKEMVQOCKMDJ-HNNXBMFYSA-N 318.442 3.131 0 40 DGAB COc1ccccc1[C@H]1OC2=Nc3cc(C)c(C)cc3N[C@H]2C1=O 104239768 SRDLUXISUFLKDM-FUHWJXTLSA-N 322.364 3.477 0 40 DGAB O=C(NCCn1cnc2ccccc21)c1ccc(F)cc1Cl 58251147 GUBGMQFYOYFQJL-UHFFFAOYSA-N 317.751 3.259 0 40 DGAB Cc1cccc(CNC(=O)Nc2cnc3c(cnn3C(C)C)c2)n1 44972669 YDWMATCQAXMKED-UHFFFAOYSA-N 324.388 3.037 0 40 DGAB C[C@H](c1cccnc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 68294833 JGAVGGSVFFKJER-CYBMUJFWSA-N 306.369 3.305 0 40 DGAB Cc1ccc(C)c(Nc2nc(N3CCCC3)nc3c2cnn3C)c1 27666454 BRMHOASXQFXTHK-UHFFFAOYSA-N 322.416 3.324 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 69917539 PASNMKBAPFKWQV-MRXNPFEDSA-N 322.412 3.404 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)CCCc2cccs2)c1 70009499 HZFPYRMWMXXYBG-OAHLLOKOSA-N 317.458 3.267 0 40 DGAB Cc1ccc(CNC(=O)Cc2ccc(Cl)c(Cl)c2)n1C 14117409 KIZABUQSJNOHEK-UHFFFAOYSA-N 311.212 3.499 0 40 DGAB Cc1nccn1CCCC(=O)Nc1nc(-c2ccco2)cs1 69379367 JHJCXLAAOSHARS-UHFFFAOYSA-N 316.386 3.327 0 40 DGAB Cc1c(C)n(-c2ccccc2)c2ncn(-c3nccs3)c(=N)c12 6661232 SIOYMPPAGQPKDF-UHFFFAOYSA-N 321.409 3.369 0 40 DGAB Cc1ccc2[nH]c(C(=O)NCc3ccc4c(c3)OCO4)cc2c1 4702594 NHLATHCEARLKAC-UHFFFAOYSA-N 308.337 3.135 0 40 DGAB CCOc1ccc(/C=C2/N=C(C(C)(C)C)OC2=O)cc1OC 96939658 JGOUNRFKRMEWSK-FMIVXFBMSA-N 303.358 3.436 0 40 DGAB Cc1nnc(SCN2CCCCC2=O)n1[C@H]1CCC[C@@H](C)C1 97080639 NHIFSNDZCKQPJI-OCCSQVGLSA-N 322.478 3.400 0 40 DGAB c1ccc2c(c1)CN(c1nc(C3CC3)ns1)C[C@@H]2n1cccn1 97012367 SQWPUMQQAJWBIW-HNNXBMFYSA-N 323.425 3.222 0 40 DGAB COC(=O)c1sccc1CN1Cc2ccccc2OC[C@@H]1C 96007878 OZSWYLGIWMEBKA-LBPRGKRZSA-N 317.410 3.318 0 40 DGAB COCCn1nc(C)c(NCc2cccc3cccnc23)c1C 97049512 DOKLOCXKINYSMX-UHFFFAOYSA-N 310.401 3.307 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1F)c1ccc2c(c1)OCCO2 9315908 IITGYQADBWEVOH-LLVKDONJSA-N 316.332 3.480 0 40 DGAB O=C(CNc1ccc(Cl)cc1)Nc1ccc2c(c1)OCO2 9450536 SUTZOQMRKXXHCK-UHFFFAOYSA-N 304.733 3.119 0 40 DGAB O=C(COc1ncnc2ccccc12)N(C1=CCCCC1)C1CC1 9484649 ISHLMILPKNVKMN-UHFFFAOYSA-N 323.396 3.458 0 40 DGAB Cc1cc(Cl)cc2c1N(C(=O)CCc1cnn(C)c1)CCC2 71910406 NTBBJSOCNXXXPF-UHFFFAOYSA-N 317.820 3.294 0 40 DGAB O=C(NCc1ccc(OC(F)(F)F)cc1)NCc1ccco1 9691017 UKQSZYFFZTYEHV-UHFFFAOYSA-N 314.263 3.178 0 40 DGAB CCc1nc([C@H](C)NCC(=O)N2[C@@H](C)CCC[C@H]2C)cs1 97112247 QOZUIRBEGBRDSO-XQQFMLRXSA-N 309.479 3.146 0 40 DGAB CSC(C)(C)CNC(=O)NCc1nc(C(C)(C)C)cs1 72304195 PMSYWDKGMULAEG-UHFFFAOYSA-N 315.508 3.381 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)c1 20141478 LFLCDJQAEJBXRD-UHFFFAOYSA-N 315.325 3.132 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2ccccc2N2CCOC2=O)cc1 78599960 NJCKMXNTIIUPNG-UHFFFAOYSA-N 324.336 3.098 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@H]1C[C@@H](O)c1ccco1 95412364 YMSLNYZLORRJCY-LSDHHAIUSA-N 318.417 3.066 0 40 DGAB C[C@H](CNC(=O)CC[C@H]1CCCO1)c1nc2ccccc2s1 78714117 GNWIMKKXAKNHQY-CHWSQXEVSA-N 318.442 3.475 0 40 DGAB Cc1ccc(-c2ccncc2)cc1NC(=O)CC(C)(C)C(=O)O 78813862 RXUQMVRBUXJTPD-UHFFFAOYSA-N 312.369 3.496 0 40 DGAB CS[C@H]1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 95960117 MPSIZMBTEWEWRR-UNNWNWIUSA-N 311.472 3.251 0 40 DGAB COc1ccccc1C1(CN[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 95987861 KKTTWWYPHKCWET-XYPHTWIQSA-N 301.430 3.130 0 40 DGAB C[C@H](CS[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 95993983 QJELNOBJGMTJCJ-CJNGLKHVSA-N 315.442 3.062 0 40 DGAB C[C@@H](NC(=O)NCCCSc1ccccc1)C1CCOCC1 89894383 COOAGDWODLDKLD-CQSZACIVSA-N 322.474 3.283 0 40 DGAB CC[C@@H](C(=O)OCC(=O)NC1CCCCC1)c1ccccc1 60965073 UGVPDVIHOOHXKM-MRXNPFEDSA-N 303.402 3.172 0 40 DGAB COc1cc(N)ccc1NC(=O)c1ccc(OC(C)C)cc1 66141383 SQBVHICESANVCT-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB O=C(O)c1cc(-c2ccco2)nc2cc(-c3ccc(F)cc3)nn12 36615770 USOYDNYBJVVDAI-UHFFFAOYSA-N 323.283 3.494 0 40 DGAB CCCOCc1nn(CC(F)(F)F)cc1Br 408716097 IVHHFSHZGGNIKW-UHFFFAOYSA-N 301.106 3.135 0 40 DGAB Cc1nc2cc(C(=O)N3CCOC[C@@H]3CC3CCC3)ccc2o1 515326049 PPHKLMPLNUVTSJ-HNNXBMFYSA-N 314.385 3.167 0 40 DGAB CNc1cc(CN(C)C)nc([C@H]2CCCCN2C2CCCC2)n1 72352019 LPPGYHNLMWGHTQ-MRXNPFEDSA-N 317.481 3.050 0 40 DGAB Cc1nc2ccccc2nc1N1CCN(c2ccccc2)CC1 5587300 ZWKTVXQKUNKCSV-UHFFFAOYSA-N 304.397 3.265 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)NCc2ccsc2)o1 77344784 SZLCWJQVVLDVHW-AWEZNQCLSA-N 320.414 3.187 0 40 DGAB C[C@](O)(CNC(=O)c1ccc(Cl)s1)c1cccs1 75155856 UUYNAWNIMGHTDD-LBPRGKRZSA-N 301.820 3.101 0 40 DGAB COc1ccc(Cl)cc1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 78996776 QAECOMJAHVRQJS-VIFPVBQESA-N 321.808 3.190 0 40 DGAB CC(=O)NC1(c2ccccc2)CCN(Cc2ccccc2)CC1 77042738 JZIHXLNGPVLLDT-UHFFFAOYSA-N 308.425 3.314 0 40 DGAB C[C@@](C(=O)O)(c1ccc(Br)cc1)N1CCCCC1 37361871 FSEJEMIPXXSBNK-AWEZNQCLSA-N 312.207 3.235 0 40 DGAB Cc1ccccc1-n1nccc1NC(=O)[C@H]1C[C@H]1c1cccnc1 79094865 NHWJTHCNHRXKLG-HOTGVXAUSA-N 318.380 3.318 0 40 DGAB CCCOc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 216870138 IXOWILOHOYUFDB-UHFFFAOYSA-N 302.765 3.445 0 40 DGAB COc1cc(C)c(S(=O)(=O)N(C)c2ccccc2)c(C)c1 47454252 DKXGYMUWGVGLRY-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB CC[C@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1C(=O)OC 225788905 VPTBMBGSBVVJSX-NSHDSACASA-N 323.389 3.014 0 40 DGAB Cc1ccccc1CS(=O)(=O)NC(C)(C)Cc1ccccc1 40621160 HIAPTZZACVVHGK-UHFFFAOYSA-N 317.454 3.436 0 40 DGAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 195536812 TXKJOAZUDIPSSL-NXEZZACHSA-N 318.314 3.044 0 40 DGAB Cc1nc(O)c(C(=O)N(C)CC(F)F)cc1-c1ccccc1 531411268 HOGIPROQTUWQCZ-UHFFFAOYSA-N 306.312 3.100 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 95989350 DCXCWXWFNSMODT-KSZLIROESA-N 323.392 3.267 0 40 DGAB Cc1cc(C(=O)NC[C@H](C)CC2(C)OCCO2)c(C)n1C(C)C 96418623 RSEHMCLXJBFGSU-CYBMUJFWSA-N 322.449 3.205 0 40 DGAB CCS(=O)(=O)[C@H](C)C(=O)c1ccc(-c2ccccc2)cc1 96518004 OYMWPFOXBDYBLL-CYBMUJFWSA-N 302.395 3.360 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)Nc1nc(C2CC2)cs1 96416924 YPHXUBMHWCCYLD-UHFFFAOYSA-N 318.402 3.242 0 40 DGAB O=C(O)CO[C@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 95096422 BEVTVZZWWLFEAF-SECBINFHSA-N 302.170 3.410 0 40 DGAB Cc1ncoc1C(=O)N1CCCC[C@@H]1c1nc2ccccc2o1 330033287 VKYMCCJHMCRPLL-CYBMUJFWSA-N 311.341 3.492 0 40 DGAB COC(=O)c1ccc(N(C(=O)c2ccncc2)C(C)C)c(C)c1 96409898 UTZQEXLXOXJZHH-UHFFFAOYSA-N 312.369 3.232 0 40 DGAB OC[C@@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccco1 95440125 HCIKZJNXVJGWNK-GFCCVEGCSA-N 303.255 3.261 0 40 DGAB CCOC(=O)[C@@H]1[C@@H]2CC[C@]3(CC(=O)c4cc(Cl)ccc4O3)[C@H]21 248317794 NNSGKJRIAUOMNB-XROQYSKISA-N 320.772 3.263 0 40 DGAB CC(C)c1noc(CCNC(=O)N(C)[C@H](C)C2CCCCC2)n1 252504497 VJNVWJJIJQGKBT-CYBMUJFWSA-N 322.453 3.346 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)CCc2cccs2)ccn1 257239993 HRQUREASQNVLBG-HNNXBMFYSA-N 315.442 3.481 0 40 DGAB Cc1noc(C)c1C[C@H](C)C(=O)Nc1nccc2ccncc12 585080362 ADZYCYCZBRKHLE-JTQLQIEISA-N 310.357 3.052 0 40 DGAB COc1ccc2ccccc2c1CN1CCOC[C@H]1c1ccn[nH]1 257331880 XUQWLTDBSMQJIJ-SFHVURJKSA-N 323.396 3.145 0 40 DGAB CCN(C(C)=O)[C@H]1CCOC2(CCN(c3ccccc3)CC2)C1 257264784 LVZYVUYBAMWINI-SFHVURJKSA-N 316.445 3.073 0 40 DGAB c1ccc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)nc1 257313786 UUDOQKWUAQMJOG-KRWDZBQOSA-N 321.424 3.254 0 40 DGAB COc1cccc(C(=O)[C@@H](Br)CBr)c1 382705283 SDAAULYHJMYTBH-VIFPVBQESA-N 321.996 3.036 0 40 DGAB Cc1cc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)no1 575410886 PMQGXMBLAWMGND-UHFFFAOYSA-N 307.309 3.388 0 40 DGAB CC(C)CC(=O)N1CCC(NC(=O)c2ccccc2Cl)CC1 58283198 BHULTVIQUMZUCS-UHFFFAOYSA-N 322.836 3.107 0 40 DGAB Cn1nccc1C1CCN(Cc2cc(F)cc3cccnc23)CC1 58331384 JYDXHJPQGRMOEJ-UHFFFAOYSA-N 324.403 3.487 0 40 DGAB O=C(NCc1ccoc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 57188294 YBHKLXKPQXUWND-CVEARBPZSA-N 318.348 3.138 0 40 DGAB c1ccc(Cn2ccc(Nc3ncnc4ccccc34)n2)nc1 68904922 PWBPZUSLWXOJDE-UHFFFAOYSA-N 302.341 3.013 0 40 DGAB O=C(NCc1cc(C2CC2)n(C2CCCC2)n1)c1ccncc1 96104051 DARCNFLLDOBVCQ-UHFFFAOYSA-N 310.401 3.201 0 40 DGAB CCOc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 13631952 UHOWMCGMABPZCH-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB Cc1cc(=O)n2c3ccccc3nc2n1C(=O)Nc1ccccc1 13637273 MUJWGHIBSAOBEL-UHFFFAOYSA-N 318.336 3.038 0 40 DGAB CC1(CNc2nnc(CCc3ccccc3)o2)CCOCC1 158679870 OILBNLYVHXIQJK-UHFFFAOYSA-N 301.390 3.083 0 40 DGAB Cc1nc2sccn2c(=O)c1NC(=O)CCC1CCCCC1 8931625 SOYRGOIOGFECIA-UHFFFAOYSA-N 319.430 3.363 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc(F)c(F)c2)c1 30274924 JMPICNPPLHHQAP-JTQLQIEISA-N 318.323 3.414 0 40 DGAB O=c1c(=O)n(-c2ccccc2Cl)ccn1CC1CCCCC1 2087051389 MRNIJQLUWJSDII-UHFFFAOYSA-N 318.804 3.233 0 40 DGAB COc1nn(C)cc1C(=O)Nc1ccc(Oc2ccccc2)cc1 9069877 KFUSWMZOJVQRKF-UHFFFAOYSA-N 323.352 3.473 0 40 DGAB c1ccc(CN2C[C@@H]3CN(c4nc5ccccc5o4)C[C@H]3C2)cc1 1775973883 JBRDSLMJLPORQJ-IAGOWNOFSA-N 319.408 3.396 0 40 DGAB Cc1nn(CCNC(=O)c2ccoc2)c(C)c1-c1ccsc1 575616428 ZHGLCLHHHBWIIN-UHFFFAOYSA-N 315.398 3.251 0 40 DGAB CCC(=O)Oc1ccc(C(=O)Nc2ncc(C)s2)cc1OC 20096635 ZSHVJAFSIQAWMI-UHFFFAOYSA-N 320.370 3.028 0 40 DGAB COc1ncccc1CNC(=O)c1ccccc1C(F)(F)F 30304907 WWSAALSUNIYJIE-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB COc1ccc([C@@H](C)NC(=O)/C=C/c2cccnc2)cc1F 30934728 HUXPCEDKTXIOQD-FZKGZDJFSA-N 300.333 3.120 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1F)CC(O)=N2 20731543 CNYHXOUXOLJPAA-GFCCVEGCSA-N 323.331 3.233 0 40 DGAB C[C@]12CCC[C@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@H]32 101492241 JPYUXOAHWUWNMR-BCQZVRRWSA-N 324.207 3.216 0 40 DGAB CSc1nc2ccccc2c(=O)n1[C@@H]1CCOC(C)(C)C1 119066 USTDQPWLHGQZTO-LLVKDONJSA-N 304.415 3.249 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2SCCC(N)=O)o1 69775886 NLXYMRISPMORKH-UHFFFAOYSA-N 318.398 3.062 0 40 DGAB Cc1n[nH]c(SCc2ccc(F)cc2Br)n1 11710507 ZTQBSQORMJKPLU-UHFFFAOYSA-N 302.172 3.307 0 40 DGAB CC1(C)Oc2cc(NC(=O)c3ccccc3F)ccc2NC1=O 46088418 ZFNNZDFWNSEICG-UHFFFAOYSA-N 314.316 3.188 0 40 DGAB Cc1ccc(CNC(=O)Cc2ccccc2Br)cn1 69779330 CUXXDHLZGDQQDB-UHFFFAOYSA-N 319.202 3.011 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@@H]3C)o2)n1 2778537 GMVMWZKSZMGSDP-ZDUSSCGKSA-N 301.390 3.156 0 40 DGAB CC(=O)N1CCc2cc(C(=O)OC3CCCCCC3)ccc21 32841543 VGEFKKMTHQIJGV-UHFFFAOYSA-N 301.386 3.475 0 40 DGAB O[C@H](COc1ccccc1)CSc1nncc2ccccc12 6829602 CRBUACPJEZGXAD-CQSZACIVSA-N 312.394 3.162 0 40 DGAB CCCNC(=O)[C@H](C)SCc1cc(Cl)c2c(c1)OCO2 58016078 AITGLARYWUQCJV-VIFPVBQESA-N 315.822 3.217 0 40 DGAB O=C1O[C@@H](c2ccccc2)Cc2cc(C(=O)N3CCCC3)ccc21 8344940 YIYNADYWWLUPQU-GOSISDBHSA-N 321.376 3.377 0 40 DGAB Cc1cc(C)nc(-n2nc(-c3ccccc3)c(Cl)c2O)n1 8559726 GXQPFANUHSYEGX-UHFFFAOYSA-N 300.749 3.305 0 40 DGAB O=C(Nc1ccccc1)c1ccn(COc2ccccc2F)n1 2786740 KZOIFUKJXMJSJT-UHFFFAOYSA-N 311.316 3.311 0 40 DGAB O=C(CCC(=O)OCCCc1ccccc1)NC1CCCCC1 12136954 FDHXSSSAJPPWKM-UHFFFAOYSA-N 317.429 3.392 0 40 DGAB COCCOc1ccc(CNc2ncnc3sccc23)cc1 42109404 LACRGMBSMJDQFE-UHFFFAOYSA-N 315.398 3.329 0 40 DGAB CCn1c(CC(=O)OC)cs/c1=N/c1ccc(Cl)cc1 108832604 DKHMPBHKSYXUHC-JQIJEIRASA-N 310.806 3.171 0 40 DGAB CCOC1CCN(C(=O)NC[C@H](C)Sc2ccccc2)CC1 75805120 IKSFLYPSGBXJDD-AWEZNQCLSA-N 322.474 3.378 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nnc(CC(C)C)o1 76046920 VESPOAAOWHJMKF-OCCSQVGLSA-N 317.437 3.213 0 40 DGAB CC(=O)N1CCc2cc(Nc3nccc(C(F)(F)F)n3)ccc21 24054470 ICRRSVRQIPGLKL-UHFFFAOYSA-N 322.290 3.148 0 40 DGAB CC1(C)CC(Nc2nccc(C(F)(F)F)n2)CC(C)(C)N1 24056024 AADUUECUYXBTGK-UHFFFAOYSA-N 302.344 3.217 0 40 DGAB O=S(=O)(c1ccccc1Cl)N1CCC[C@@H]1c1ccncc1 24434585 PEBXBPKNRUUCSM-CQSZACIVSA-N 322.817 3.261 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105956004 NWGZDSHWIJNRHH-SLEUVZQESA-N 300.358 3.018 0 40 DGAB Cc1cccc(C)c1C(=O)c1ccc(CN2CCOCC2)cc1 43210847 ZTPHKFIUKTYFIE-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1O 1465565 YXYAKMPHOMSLKD-UHFFFAOYSA-N 301.129 3.061 0 40 DGAB COc1ccc(C(=S)NCCc2ccccc2)cc1OC 1443838 QHVJNKPXGQNDNJ-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB Cc1ccc(Nc2nn(CN3CCOCC3)c(=S)s2)cc1 25356501 QOWSJHCZJMGLKH-UHFFFAOYSA-N 322.459 3.016 0 40 DGAB CCC[C@@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C 47988297 FFPNMWLQFXGOPU-GFCCVEGCSA-N 303.406 3.197 0 40 DGAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCO[C@@H]2CCC[C@@H]21 56197213 VLDFTTNNEZMFRA-DLBZAZTESA-N 324.380 3.267 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)c(C)c1 57472226 WMCPQDVJQINMSW-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)NCc2ccccc2Cl)c1 3245027 YBSRZWWCVATQNG-UHFFFAOYSA-N 323.801 3.021 0 40 DGAB O=C(c1ccc(COc2ccc(F)cc2F)o1)N1CCCC1 27983702 HHGIUQDCWJDPGB-UHFFFAOYSA-N 307.296 3.373 0 40 DGAB CCn1c(CN(C)C(=O)c2ccccc2O)nc2ccccc21 58265748 AUGKKJOZABHVBJ-UHFFFAOYSA-N 309.369 3.034 0 40 DGAB COc1ccccc1NC(=O)NC[C@@]1(N(C)C)CCC[C@@H](C)C1 58313795 PPZFGQFWVMCFTI-RDTXWAMCSA-N 319.449 3.327 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(Cn3cc(Cl)cn3)o2)c1 27982078 VSMMEVZQWRICHK-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB C[C@H](Nc1ncnc2c1cnn2-c1ccccc1)c1ccccn1 48375349 XXSABFUSFBPYRL-ZDUSSCGKSA-N 316.368 3.384 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2occc21)c1cccc(Cl)c1 12986076 FVIILFYNSZIUHQ-CYBMUJFWSA-N 311.790 3.289 0 40 DGAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccncc1)c1cccs1 110697199 YCULEZYIIXCERM-CHWSQXEVSA-N 303.431 3.013 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@@H](C)C3CC3)cc2)n1 69585965 MFRPLKXDNILYPF-HNNXBMFYSA-N 311.429 3.419 0 40 DGAB CCc1onc(C)c1NC(=O)NCC1(C)Cc2ccccc2C1 93093901 RUGZOSDPNODTCP-UHFFFAOYSA-N 313.401 3.472 0 40 DGAB COc1ccc([C@H]2C[C@@H](OC(C)=O)ON2c2ccccc2)cc1 4473142 LOKIDVKJGMLQDP-MSOLQXFVSA-N 313.353 3.467 0 40 DGAB CCN(CC)C(=O)c1nc(C2CC2)n(-c2ccccc2Cl)n1 65576014 JUNURMYQQIGLAK-UHFFFAOYSA-N 318.808 3.280 0 40 DGAB CC(C)c1ccc(OCCC(=O)N(C)C2CCN(C)CC2)cc1 65586773 ZYWQAFXPUIRPCT-UHFFFAOYSA-N 318.461 3.132 0 40 DGAB C[C@H](NC(=O)C[C@](C)(O)C(F)(F)F)c1ccccc1Cl 14241759 FDACVLWNJYYLLA-UFBFGSQYSA-N 309.715 3.221 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 4667102 OAYJQXZCKCQEOY-SMDDNHRTSA-N 311.447 3.169 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1C[C@H](CO)C2=O 118924042 KQHKUOHLCRQQSG-ZAZINTTRSA-N 320.473 3.178 0 40 DGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@H]1CC=CCC1 15758866 RVEXGBHSJGZPRW-HNNXBMFYSA-N 300.402 3.057 0 40 DGAB CC(C)(C)OC(=O)N1CCN[C@H](c2ccc(F)cc2Cl)C1 306145966 XKVODUVZYGPRQU-ZDUSSCGKSA-N 314.788 3.361 0 40 DGAB COc1ccc2c(c1)CCCN(c1nc(C)nc3[nH]ccc13)C2 80980011 SPMXRUOOKMDWIE-UHFFFAOYSA-N 308.385 3.228 0 40 DGAB CCN(CC)c1ncc(CN2CCCC[C@@H]2c2ncc[nH]2)s1 92728357 KSKZUECSRLLFSM-CQSZACIVSA-N 319.478 3.440 0 40 DGAB CCNc1ccc(Cl)cc1NC(=O)c1ccc2nncn2c1 97048591 PPKLKRLEJLLNER-UHFFFAOYSA-N 315.764 3.067 0 40 DGAB CS(=O)(=O)CCN1CCCCC[C@H]1/C=C/c1cccs1 97084117 MKLWEKYXBXCMHR-VFNNOXKTSA-N 313.488 3.051 0 40 DGAB CCN(c1ccc2nnc(C)n2n1)[C@H](c1cccnc1)C(C)C 96490228 AJRVZYRHSFWFPZ-KRWDZBQOSA-N 310.405 3.051 0 40 DGAB O=C(NCCc1csc(-c2ccncc2)n1)C1CCCCC1 19942487 RBZZMVQRQLQWLR-UHFFFAOYSA-N 315.442 3.444 0 40 DGAB C[C@@H](NC(=O)N[C@@H]1CCc2ccccc2C1)c1nccs1 72268247 LVIDCBRFNGYAJK-BXUZGUMPSA-N 301.415 3.061 0 40 DGAB O=C1NCCCC[C@H]1SCc1coc(-c2cccc(F)c2)n1 78555728 QGWSJMOFMUVNFO-CQSZACIVSA-N 320.389 3.383 0 40 DGAB O=C(Cc1cccc(Cl)c1)Nc1cccc(-c2nc[nH]n2)c1 71907656 HPTQNULOKGZKIP-UHFFFAOYSA-N 312.760 3.306 0 40 DGAB Cc1cc(NC(=O)CCN[C@H](C)c2cc3ccccc3o2)no1 97111346 CBVHWMPOQYIALZ-GFCCVEGCSA-N 313.357 3.409 0 40 DGAB CSc1c(F)cc(NC(=O)NC2CCC(O)CC2)cc1F 97107725 YJMSXXIUBPYZKB-UHFFFAOYSA-N 316.373 3.112 0 40 DGAB COc1cc(C(=O)N2C[C@H](C)CSc3ccccc32)on1 97108986 KXYTVYJRFHQBID-JTQLQIEISA-N 304.371 3.072 0 40 DGAB OC1CCN(c2ccccc2NCc2ccc(Cl)nc2)CC1 79016587 NHSILAZUXPPVLB-UHFFFAOYSA-N 317.820 3.308 0 40 DGAB Cc1cccc(NCC(=O)N2c3ccccc3NC(=O)C2(C)C)c1 98071803 FCRYFPAHPUXMLN-UHFFFAOYSA-N 323.396 3.171 0 40 DGAB CN(CC1CC1)C(=O)c1cc(Br)cc(Cl)c1O 75146131 SIBRTWOWPZLNEQ-UHFFFAOYSA-N 318.598 3.290 0 40 DGAB O=C(NCCCc1cccc(F)c1)N[C@@H]1CCO[C@H](C2CC2)C1 122115241 DOEJYFVKSYGJSB-SJORKVTESA-N 320.408 3.015 0 40 DGAB CCOCCCN1CC[C@H](NC(=O)C2CCCCCC2)[C@H](C)C1 79361211 NZIWTCZPYZZDGU-AEFFLSMTSA-N 324.509 3.210 0 40 DGAB C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@H]1CC2CCC1CC2 563273793 VZPICZAZYVYAGB-FNINWESVSA-N 317.477 3.302 0 40 DGAB Cc1ncsc1CCOC(=O)[C@H]1CCOc2ccccc21 78442162 QNSAFYCYKSPTLR-ZDUSSCGKSA-N 303.383 3.104 0 40 DGAB COc1cc2c(cc1OC)CN(Cc1ccc(Cl)nc1)CC2 42293097 WFYDBOWXQJIYHS-UHFFFAOYSA-N 318.804 3.311 0 40 DGAB O=C(O)c1ccc(C(=O)Nc2cc(C3CCCCC3)[nH]n2)cc1 565656969 QEOQYIXCXGNTJE-UHFFFAOYSA-N 313.357 3.408 0 40 DGAB CCNC(=O)[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 79452421 KOTXXBRGRMSNKF-GXTWGEPZSA-N 306.406 3.025 0 40 DGAB Cc1cccc(Nc2nc(C(=O)NCc3ccco3)cs2)n1 62022559 OEIQMUMWYJTAEU-UHFFFAOYSA-N 314.370 3.113 0 40 DGAB Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2OCC#N)cc1 32752177 KSLVAERTOKDJKR-FOWTUZBSSA-N 317.348 3.443 0 40 DGAB CC(=O)NC[C@H]1CCCN(CCCc2ccc(Cl)cc2)C1 77271907 ZJAMASVWBRQSQY-MRXNPFEDSA-N 308.853 3.121 0 40 DGAB COc1ccc([C@H](CC(=O)O)CC(=O)NC2CCCCC2)cc1 226750575 AJSUSFSQXWTXCO-AWEZNQCLSA-N 319.401 3.093 0 40 DGAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)c1C 223949284 WPROYEUWHHVUBU-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCCOc1ccc(NC(=O)[C@@](C)(OCCC)C2CC2)cn1 225912828 BPIJWJDAJVROGI-KRWDZBQOSA-N 306.406 3.404 0 40 DGAB Fc1cc(Br)ccc1OCC[C@H]1CCCNC1 42773600 HVEJOURRRNPSNX-SNVBAGLBSA-N 302.187 3.357 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1ccc(OC)cc1)C(=O)O 225104965 IOFOEBZZUMZLJP-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB CCc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccccc1 45890882 BVILMRFGLJVUSF-UHFFFAOYSA-N 313.426 3.465 0 40 DGAB COc1ccc(CNC(=O)CCc2ccc(OC)c(C)c2)cc1 225831927 GXUXCVJNZNAMPA-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB O=C(NCCn1cccc1)c1ccc(Oc2nccs2)cc1 225636254 CHRNCLVGONECQH-UHFFFAOYSA-N 313.382 3.167 0 40 DGAB Cn1ccc2ccc(C(=O)N3CCN(c4ccccc4)CC3)cc21 40287148 OTQOHGQOCPXHSY-UHFFFAOYSA-N 319.408 3.141 0 40 DGAB Cc1ncsc1CNC(=O)N[C@@H](C)[C@@H](C)c1ccccc1 83214546 JXGNYJTZCJVNOD-NEPJUHHUSA-N 303.431 3.443 0 40 DGAB O=C(/C=C/c1ccco1)NCC[C@H](O)c1cccc(Cl)c1 225607499 BWGFAOHKVWLTOY-LFAOLKIESA-N 305.761 3.186 0 40 DGAB COc1cccc(Nc2ccc(N)cc2C(=O)N2CCCC2)c1 225478461 HVNHOZBCFHPTTQ-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)N[C@@H](C)CC 225090845 SGIOUKOTNBGMRG-LSDHHAIUSA-N 304.434 3.037 0 40 DGAB CCc1cc(N)cc(C)c1NC(=O)COc1ccc(OC)cc1 45890396 MURQHFQOAUUBBF-UHFFFAOYSA-N 314.385 3.166 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1C[C@@]12CCc1ccccc12 96441056 CJTJVZXDASUAEY-UYAOXDASSA-N 323.440 3.061 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NCCCc1ccccc1 96658996 XLPARBAAZFOJPA-UHFFFAOYSA-N 307.390 3.045 0 40 DGAB CO[C@@H]1CCN(Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 96110176 JSYRYJPDHROWCR-FUHWJXTLSA-N 300.402 3.063 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2c2nnc(C)s2)c1 96453240 NERPRRPLVDDEDQ-ZDUSSCGKSA-N 305.403 3.205 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)o1 330499993 MDEFNZYKFRNWPB-UHFFFAOYSA-N 314.432 3.352 0 40 DGAB CCCCOCC(=O)N1CCC(Nc2cccc(C)c2)CC1 96420977 JRCYHBRTFFHRMV-UHFFFAOYSA-N 304.434 3.215 0 40 DGAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1c(F)cccc1F 96305904 YRTCERVUUFLLCO-UHFFFAOYSA-N 323.320 3.466 0 40 DGAB CN1CC[C@@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)c(F)c1 245289916 GANGUXKHYQXJEF-HUUCEWRRSA-N 322.380 3.202 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)CCO1 248419631 VJNZAGFUPVBRLR-IVMMDQJWSA-N 321.392 3.108 0 40 DGAB CC(=O)N1CCC[C@@H](c2ncc(Cc3ccccc3F)o2)C1 257308395 TWOMSCSGOCSMJE-CQSZACIVSA-N 302.349 3.130 0 40 DGAB C[C@H]1c2ccc(F)cc2CCN1C(=O)c1ocnc1C1CC1 585083572 HOWSKLNAWRFMNG-JTQLQIEISA-N 300.333 3.451 0 40 DGAB C=CC(=O)N1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 585133968 MLDGHEZLHOEMFU-UHFFFAOYSA-N 311.360 3.175 0 40 DGAB C[C@H](CC(=O)N1CCn2ccnc21)c1ccccc1C(F)(F)F 585122480 NUIQIRKLKDZBBI-LLVKDONJSA-N 323.318 3.442 0 40 DGAB CC(C)[C@H]1O[C@H]2c3cc(O)ccc3OC(C)(C)[C@@H]2C[C@@H]1C(=O)O 257215576 CQSMVPLIPAUIDT-XNISGKROSA-N 320.385 3.366 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CCC[C@@H](c2ccncn2)C1 257289267 PXVORJJXVRJJJV-CYBMUJFWSA-N 309.360 3.008 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCCNC(=O)C(C)(C)C 55483658 LARDCBNGSWXJFJ-ZDUSSCGKSA-N 322.424 3.288 0 40 DGAB 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COc1ccccc1CNC(=O)CCOc1cc(C)cc(C)c1 13012630 GIMSSYRNGXEEGF-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1ccc(O)c(C(=O)c2ccc3nc(C(C)C)[nH]c(=O)c3c2)c1 13148086 MPRXELDFSJGPRY-UHFFFAOYSA-N 322.364 3.292 0 40 DGAB O=C(COC(=O)c1sccc1C1CC1)c1ccc(O)cc1O 64124614 NLZXUMQSRRKLTQ-UHFFFAOYSA-N 318.350 3.076 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc(F)c(C)c1)C2 65184489 RWEWQOQFRKDKTC-UHFFFAOYSA-N 301.317 3.068 0 40 DGAB Cc1ccc(N2CCC[C@H](NC/C=C/c3ccccc3)C2)nn1 69892473 QKWODQBZXBGAJE-YXOJNZSOSA-N 308.429 3.057 0 40 DGAB Cc1ccc(C(=O)CSc2nnc3n2CCCCC3)cc1 14158892 PCXLAJULTBHBPI-UHFFFAOYSA-N 301.415 3.288 0 40 DGAB C[C@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)Nc1ccccc1 5531040 SHZNEMXSVURLQP-LBPRGKRZSA-N 308.337 3.352 0 40 DGAB CC(=O)N1C[C@@H](c2ccc(Cl)cc2)C(C(=O)c2ccco2)=N1 4783800 VGLUFVAAHAOLKT-ZDUSSCGKSA-N 316.744 3.118 0 40 DGAB O=c1c2cnn(-c3ccc(Cl)cc3)c2ncn1C1CCCC1 6719742 NUJTUAOIURAGLK-UHFFFAOYSA-N 314.776 3.351 0 40 DGAB CC(=O)Nc1ccc(CN[C@@H](C)COc2ccccc2F)cc1 67249837 PICCYGDXWRQJDV-ZDUSSCGKSA-N 316.376 3.341 0 40 DGAB Cc1ccccc1N1CCN(CC(=O)c2ccc(F)cc2)CC1 67206444 FNBPWJYDGKXEHE-UHFFFAOYSA-N 312.388 3.139 0 40 DGAB CCOc1ccccc1N[C@H](C)C(=O)Nc1nc(C)cs1 7460541 JWXIXZBLIKKERI-LLVKDONJSA-N 305.403 3.289 0 40 DGAB CSCCNc1nc(-c2ccc3c(c2)CC(=O)N3C)cs1 92848969 VMOBRFLSCIANHI-UHFFFAOYSA-N 319.455 3.104 0 40 DGAB O=C(Cc1c[nH]c2ncccc12)N[C@H]1CCCc2ccc(F)cc21 93063114 RVRAXCKBTIJUHA-KRWDZBQOSA-N 323.371 3.438 0 40 DGAB Cc1cc2c(cc1C)C1=NCCN[C@@H]1[C@@H](c1ccccc1)C2=O 67300088 DNTHAEXKKZSWHX-IEBWSBKVSA-N 304.393 3.044 0 40 DGAB Cc1cccc(OC[C@@H](C)NC(=O)NCc2scnc2C)c1 72271793 FMVPFODPEQGTTN-GFCCVEGCSA-N 319.430 3.027 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)cn1 71796949 QZOWZIVGXTZKPT-SFHVURJKSA-N 320.396 3.188 0 40 DGAB Cn1nccc1CNC(=O)N1C[C@@H]2CCCC[C@@]21c1ccccc1 96491748 AJQVIUJSUJAAHX-QFBILLFUSA-N 324.428 3.031 0 40 DGAB CCOc1ccc(S(=O)(=O)Cc2ncc(C(C)(C)C)o2)cc1 96461244 CNKRKRCTUMSVMD-UHFFFAOYSA-N 323.414 3.345 0 40 DGAB O=C(Nc1ccc(F)cc1F)N1CCc2ccccc2[C@@H]1CO 79075969 KOBBYCOWOUCLAO-INIZCTEOSA-N 318.323 3.088 0 40 DGAB COCc1ccc(CN2CCC[C@@H](Cc3nccn3C)C2)cc1 97139194 OKUPPSDRTYKGGN-SFHVURJKSA-N 313.445 3.021 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1 73921578 UJIKRGLVALAEDF-DGCLKSJQSA-N 310.357 3.017 0 40 DGAB Cc1ccc(CN[C@H]2CCO[C@H]2c2ccc(F)c(F)c2)nc1 95988587 PAPYFBBALJDCJH-IRXDYDNUSA-N 304.340 3.288 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)N(C)C(C)C)cc1Br 95963252 CGJIWJIUVWOIPW-NSHDSACASA-N 313.239 3.425 0 40 DGAB COc1ccccc1/C=C1/N=C(S)N(c2ccccc2)C1=O 34927059 JSEQNNYGDRRNFM-SDNWHVSQSA-N 310.378 3.369 0 40 DGAB CCC[C@H](NC(=O)C(=O)Nc1c(C)noc1C)C1CCCCC1 77748038 SJQCZUNAORTFEG-AWEZNQCLSA-N 321.421 3.095 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3coc(C)n3)C2)c1 72368585 WYIZVVWJZDPFNG-HNNXBMFYSA-N 314.385 3.223 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CC(c2nc(C3CC3)no2)C1 70637026 KWLSBFKPAWJWFM-UHFFFAOYSA-N 318.764 3.232 0 40 DGAB Cc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)on1 32769013 KGEJTZYLTGCFEN-HNNXBMFYSA-N 300.358 3.091 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1 36635483 WACAVEGYVUEXEI-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCN1CC(C)C 72219403 FUCGXNRCHZWWCZ-KRWDZBQOSA-N 303.450 3.020 0 40 DGAB Cc1ccsc1C(=O)N[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 79438652 OLFNEAOIIOFHFL-GFCCVEGCSA-N 324.446 3.186 0 40 DGAB c1ccc(CN2CCC(c3nccnc3-n3ccnc3)CC2)cc1 72350479 DQZGPVIIJMMOFS-UHFFFAOYSA-N 319.412 3.042 0 40 DGAB CCN(CC)C[C@H]1CCN(C(=O)c2coc3ccc(F)cc23)C1 566011193 MJSNFEKLWDQJGQ-CYBMUJFWSA-N 318.392 3.376 0 40 DGAB CCn1ccc(NC(=O)CCCn2cc(-c3ccccc3)cn2)n1 227165201 BUIYUMUMTSAGSV-UHFFFAOYSA-N 323.400 3.185 0 40 DGAB CCCNC(=S)Nc1ccc(N2Cc3ccccc3C2)nc1 223871954 KIXHPVZJEDOMRU-UHFFFAOYSA-N 312.442 3.298 0 40 DGAB CCC(=O)Nc1ccc(-c2nc(CCC(=O)OC)cs2)cc1 195230164 ZULBOVRFVHNDFF-UHFFFAOYSA-N 318.398 3.264 0 40 DGAB CC1(C)Oc2ccc(NC(=O)NC3CCCCC3)cc2NC1=O 46088379 GTGQTKXYAMMMFW-UHFFFAOYSA-N 317.389 3.250 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccoc2C)c1 131557305 KYALLQBSWKCIGD-NSHDSACASA-N 318.398 3.067 0 40 DGAB CC[C@]1(C)Oc2ccc(NC(=O)c3ccncc3F)cc2O1 135269500 GFCFAGUBHTWSIW-MRXNPFEDSA-N 302.305 3.370 0 40 DGAB CCCOc1ncc(NC(=O)C2(OC)CCCCC2)cc1C 225888191 HXNVCGPWQHIKIQ-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CCOc1cccc(CNC(=O)COc2ccc(C)cc2C)c1 48373728 AEQSCAMOZKTBEK-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB C[C@H](c1ccccc1)n1ccc(NC(=O)Cc2ccccc2O)n1 96471255 PWFGOZJOKWAVGS-CQSZACIVSA-N 321.380 3.379 0 40 DGAB Cc1cc(OCC(=O)N2CCCCC[C@@H]2c2ccc(C)o2)no1 96414210 JMZFJRVLDHTBNP-CQSZACIVSA-N 318.373 3.407 0 40 DGAB CC1(C)C[C@@H](NC(=O)Cc2cccnc2)c2ccc(F)cc2O1 96479400 KVSONZUOIUWWIT-OAHLLOKOSA-N 314.360 3.182 0 40 DGAB O=C(c1ccsc1)N1CCC(Oc2ccncc2Cl)CC1 244909671 AQLRSQRXVBZTKE-UHFFFAOYSA-N 322.817 3.480 0 40 DGAB O=C(O)c1cccc(NC(=S)NCCCc2ccccc2)c1 242456855 BPNHBUPIMBZPJL-UHFFFAOYSA-N 314.410 3.304 0 40 DGAB CCN(C)c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C 252477783 VNTLMBXJRRJLCH-DAXOMENPSA-N 317.433 3.078 0 40 DGAB COCCC1(CNC(=O)Nc2ccccc2-c2ncco2)CC1 585135309 AZSKSAGDMUITER-UHFFFAOYSA-N 315.373 3.280 0 40 DGAB C[C@H](c1ccccn1)N(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 284088565 XCLZKHVBFBWZQF-CZUORRHYSA-N 308.381 3.361 0 40 DGAB COc1ccc(-c2cc(CNC(=O)c3ccccc3)no2)cc1 12637679 KYGLOJUUDKKFHE-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB COc1ccc(Cl)cc1Cn1ncc2ccccc2c1=O 14224254 DKUFDPPJOGXANX-UHFFFAOYSA-N 300.745 3.107 0 40 DGAB O=C1c2cc(Cl)ccc2SC[C@H]1Sc1cccc[n+]1[O-] 165017 JSJWMVOUAUORKU-GFCCVEGCSA-N 323.826 3.423 0 40 DGAB O=C1C[C@@H](C(=O)Nc2cc(F)cc(F)c2)c2ccccc2N1 10491296 GFNFHVUJYUKRJZ-CYBMUJFWSA-N 302.280 3.029 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 32845649 RGYYLMYOSDECHM-AWEZNQCLSA-N 317.410 3.399 0 40 DGAB O=C(NCC[C@@H](CCO)c1cccs1)NCc1ccccc1 575605682 CVZRUFNYSVIIIQ-HNNXBMFYSA-N 318.442 3.104 0 40 DGAB O=C(Cc1ccccc1Cl)NCc1ccc(C2CC2)nc1 585150130 FHSNNOPDFZKNSY-UHFFFAOYSA-N 300.789 3.471 0 40 DGAB O=C(NC[C@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1 75172052 NWWOPLUGMIVWOC-LBPRGKRZSA-N 314.263 3.154 0 40 DGAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccccc1)CC2 152615 TZCQUDDDWLTRSZ-CYBMUJFWSA-N 311.381 3.463 0 40 DGAB biogenic Cc1cc2ncn(C[C@@H](O)COc3ccc(F)cc3)c2cc1C 110033 MGQVKLBQKQLRNI-OAHLLOKOSA-N 314.360 3.232 0 40 DGAB CCc1nnsc1C(=O)N[C@H](C)c1cccc(OC(C)C)c1 40534895 CCGMWWBDTFRZPK-LLVKDONJSA-N 319.430 3.379 0 40 DGAB O=C(CC1CCCCC1)Nc1ccn(CCc2ccccn2)n1 51418034 VPEWMUNTTGSMAD-UHFFFAOYSA-N 312.417 3.430 0 40 DGAB CCOC(=O)CCCCC(=O)c1cccc(CN2CC=CC2)c1 2515430 JMCOZVLCUCVXOB-UHFFFAOYSA-N 315.413 3.365 0 40 DGAB CC(C)C(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1 1358432 QMVKQCXPIYLQAQ-UHFFFAOYSA-N 311.385 3.247 0 40 DGAB COc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102192086 RDOIINCSTNEFQC-LMOYCYGVSA-N 303.402 3.258 0 40 DGAB COc1ccc(NC(=O)NC[C@@H](O)c2ccc(Cl)cc2)cc1 32779487 OVKNDRRZKZNZQU-OAHLLOKOSA-N 320.776 3.204 0 40 DGAB Cc1nc(SCC(=O)NC2CCCCC2)n(C2CC2)c1C 32894093 PKWRJTJMDUCZGN-UHFFFAOYSA-N 307.463 3.376 0 40 DGAB Cc1ccc(-c2noc(CCCC(=O)NC3CCCC3)n2)cc1 4433937 ZSYONFKEMLNZNY-UHFFFAOYSA-N 313.401 3.427 0 40 DGAB Cc1cc(O[C@@H]2CCCCC2=O)c2c3c(c(=O)oc2c1)CCC3 407782 GWKHHOBOEMLRNE-OAHLLOKOSA-N 312.365 3.481 0 40 DGAB CCOc1ccc(CC(=O)N/N=C/C=C/c2ccccc2)cc1 10475845 PATPAEFIOMSNBT-KEAYEENMSA-N 308.381 3.443 0 40 DGAB Cc1occc1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 69848610 MVUZNBOQRYWIKJ-CQSZACIVSA-N 301.390 3.385 0 40 DGAB C[C@H](NC(=O)NCC(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104258252 IOXDTILFBOMQKW-DUPGQFARSA-N 318.392 3.132 0 40 DGAB COc1cccc([C@@H](Nc2nc(C)cc(C)n2)c2nccn2C)c1 24055305 MTPUBFFNCLSDOK-MRXNPFEDSA-N 323.400 3.037 0 40 DGAB Cc1c(C(=O)NCC(C2CC2)C2CC2)[nH]c2c1C(=O)CCC2 81243092 NQYTUXSZSSRZAH-UHFFFAOYSA-N 300.402 3.008 0 40 DGAB CN(C)c1cccc(C(=O)N2CCC(c3ccc(O)cc3)CC2)c1 55123725 MBFBTCUMGVCBDV-UHFFFAOYSA-N 324.424 3.478 0 40 DGAB O=C(c1cccc(Br)c1)N1CCO[C@H]2CCCC[C@H]21 37653077 QMKYZUVOFGJVTG-KGLIPLIRSA-N 324.218 3.233 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(NC(=O)C3CC3)c2)cc1 24831893 XTEDLOAJBDDLTQ-UHFFFAOYSA-N 324.380 3.225 0 40 DGAB Cc1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1C 20134581 GYQIDAYCERETSK-UHFFFAOYSA-N 317.190 3.382 0 40 DGAB CCO[C@@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 106668913 AAOBBQSMBJCAOK-IEBWSBKVSA-N 324.424 3.159 0 40 DGAB Cc1ccccc1CS(=O)(=O)N[C@H](C)c1ccc(F)cc1 20493072 AZYMZRJFRLIIKP-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB O=C(c1ccsc1)N1CCCN(C[C@H]2CC=CCC2)CC1 92149076 OPFVAKMZALLSJB-HNNXBMFYSA-N 304.459 3.252 0 40 DGAB O=C(COC(=O)c1ccccc1F)Nc1ccc(Cl)cc1 1934086 QEUNUSLNULJJSE-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1noc(C)c1NC(=O)Cc1nc(-c2ccccc2)oc1C 58180729 JQRHAKGECOJIHR-UHFFFAOYSA-N 311.341 3.436 0 40 DGAB COc1ccc(SCCc2nc3ccccc3c(=O)[nH]2)cc1 58249612 VZVWTKUMNYBSBE-UHFFFAOYSA-N 312.394 3.267 0 40 DGAB O=C(Nc1ccc(CN2CCOC2=O)cc1)NC1CCCCC1 58341430 FXBIUTNHTAZBKS-UHFFFAOYSA-N 317.389 3.093 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccc2cc[nH]c2c1 58305539 NGRQXVQXWRIFTB-UHFFFAOYSA-N 316.364 3.488 0 40 DGAB Cc1nc(CSCC(=O)Nc2nc(C)c(C)s2)cs1 12614282 ZPEURANNILPEFD-UHFFFAOYSA-N 313.473 3.397 0 40 DGAB COc1cc(N)c(Cl)cc1C(=O)OCCOc1ccccc1 10550947 NHAGRDYWWYBADJ-UHFFFAOYSA-N 321.760 3.167 0 40 DGAB COc1ccc([C@@H](NC(=O)CN2CCCC[C@H]2C)C(C)C)cc1 36416289 JLOVKSUFLAXQEE-BEFAXECRSA-N 318.461 3.383 0 40 DGAB C[C@]1(c2cccc3ccccc23)NC(=O)N(CC(F)(F)F)C1=O 12976203 KBYYEWDLTQMTKX-OAHLLOKOSA-N 322.286 3.169 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)COC1CCCCC1 69352041 NMNKFIQGEYOTEU-HOTGVXAUSA-N 303.402 3.017 0 40 DGAB Cc1ccc(CSCC(=O)NCCCN2CCCCC2)cc1 13646539 UEBPMUQWZMQDTG-UHFFFAOYSA-N 320.502 3.220 0 40 DGAB CCc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 8482714 MXJYKUAKYWPHDQ-OQLLNIDSSA-N 321.332 3.322 0 40 DGAB CC(C)(C)OC(=O)N1CCC(OC(=O)C[C@H]2C=CCC2)CC1 92697411 YMCNGZLRMIJTDU-ZDUSSCGKSA-N 309.406 3.285 0 40 DGAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(-c2ccccc2)cc1 14197082 SVYOBRGIJVTABZ-UHFFFAOYSA-N 324.424 3.340 0 40 DGAB Cc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)c(C)c1 14190353 GJIRSWIBKGLQGA-UHFFFAOYSA-N 321.424 3.238 0 40 DGAB CC(=O)Oc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1 4534786 APKHWPUKZBXMGT-ZROIWOOFSA-N 313.334 3.018 0 40 DGAB Cn1cccc1/C=C1\SC(=O)N(Cc2ccccc2F)C1=O 4689865 KMLYFZXNUVVXOO-ZROIWOOFSA-N 316.357 3.401 0 40 DGAB COc1ccc2c(C)nc(NC3=NC(C)=CC(C)(C)N3)nc2c1 4736619 ORXWCHTVPSOURF-UHFFFAOYSA-N 311.389 3.000 0 40 DGAB biogenic CCOc1ccccc1NC(=O)Cn1c(C)nc2ccccc21 5627920 QQVPAFQNECKUTR-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB Cc1nnc(NC(=O)c2ccc(-c3ccccc3)nc2C)s1 18228384 YIFAPQYTNPMQBS-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C1CC1 7617304 PNFVUOMFQDIRIK-UHFFFAOYSA-N 322.821 3.306 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O 118914944 CWGZMGDCCGJNKL-RDJPOBJMSA-N 304.430 3.282 0 40 DGAB Cc1ncc([C@@H](C)NCCc2ccc(-n3cccn3)cc2)c(C)n1 97016513 BHAFOBLOICSJCQ-CQSZACIVSA-N 321.428 3.172 0 40 DGAB O=C(c1ccncc1F)N(Cc1ccccc1)c1ccncc1 97049483 UXAWZUFPIZAXDH-UHFFFAOYSA-N 307.328 3.463 0 40 DGAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)c1cccnc1 97013203 LBYNGFYVLUYJOT-GJZGRUSLSA-N 324.428 3.193 0 40 DGAB COC(=O)c1sccc1NC(=O)[C@@H](C)Oc1ccc(C)cc1 9387506 WTFKWJCBYVICJB-LLVKDONJSA-N 319.382 3.249 0 40 DGAB CCCCC(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9376838 JZBYKYJDAKPZRO-UHFFFAOYSA-N 309.841 3.221 0 40 DGAB OCc1ccccc1CNc1nnc(Cc2ccccc2)s1 97085927 ZZCJRXNGPJPCGA-UHFFFAOYSA-N 311.410 3.233 0 40 DGAB COC(=O)c1ccccc1NC(=O)CCc1ccc(F)cc1 25720106 PBUUFDXROACPKZ-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)CC(C2CC2)C2CC2)c1 71869918 UWZLVTMMJCJDMF-INIZCTEOSA-N 301.434 3.009 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)OC(=O)c2c[nH]c(C(C)C)n2)c1 71921384 ZSJQCQYUTHZFEN-LBPRGKRZSA-N 315.373 3.026 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cnn(-c3ccccc3)c2)c1 9690442 IWJUWDKQMNERNF-UHFFFAOYSA-N 320.352 3.083 0 40 DGAB CC(C)n1ccc(CN2CCC[C@@H]2c2noc(C3CC3)n2)n1 72300045 ONCHJDVKOCQEKH-CQSZACIVSA-N 301.394 3.062 0 40 DGAB CCN(C(=O)c1ncoc1C(C)C)c1ccccc1C(=O)OC 76040756 KGVQBIRJHVDQRC-UHFFFAOYSA-N 316.357 3.251 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2o1)[C@H](O)c1ccc(F)cc1 95429984 TUFQWRNRSRAHOV-DIFFPNOSSA-N 313.328 3.424 0 40 DGAB CC(C)N(C(=O)CCCOc1ccccc1F)C1CCOCC1 78183554 WUMLSQJUZYVUGE-UHFFFAOYSA-N 323.408 3.401 0 40 DGAB CC[C@H](NC(=O)c1cccc(C2OCCO2)c1)c1ccncc1 95978816 NMYYQTGORGTXGR-INIZCTEOSA-N 312.369 3.008 0 40 DGAB CC(=O)Nc1ccc(=O)n(Cc2ccc(Cl)c(Cl)c2)c1 95956328 NBWWSYIDDNIENV-UHFFFAOYSA-N 311.168 3.162 0 40 DGAB CC(C)OC[C@@H](O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C 95974919 NNRFKKBZRAKGEM-WDEREUQCSA-N 312.793 3.195 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@@H](C)c1ccncc1 95975800 XXYMYWQJKPLDGQ-RISCZKNCSA-N 300.406 3.135 0 40 DGAB Clc1cnccc1CN1CCC[C@H](c2noc(C3CC3)n2)C1 78894365 ASMCXMLLOKMTKH-ZDUSSCGKSA-N 318.808 3.375 0 40 DGAB COc1ccccc1NC(=O)Nc1cnn(CC(F)(F)F)c1 75141053 ZTOCYPRTAXJZSL-UHFFFAOYSA-N 314.267 3.098 0 40 DGAB O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@@H](CO)C1 75128207 NPXXFUQODMZOFQ-DYVFJYSZSA-N 320.408 3.081 0 40 DGAB C[C@@H]1CCN(C(=O)c2cc(C(N)=O)cs2)[C@H](c2ccco2)C1 75390287 OLRIJCLIQPZRCS-PWSUYJOCSA-N 318.398 3.053 0 40 DGAB CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O 36635385 KDELBUZJUCLPFR-OAHLLOKOSA-N 324.380 3.138 0 40 DGAB C[C@@H]1CC[C@@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C 3846152 SUWQWMJVXMAAJM-BLVKFPJESA-N 313.397 3.314 0 40 DGAB biogenic Cc1cc(C)cc(-n2cc(C(=O)NCc3ccccc3C)nn2)c1 71326416 DWADOGLNRXGDIG-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB c1ccc(-n2nnnc2C2(NC3CCCCC3)CCCC2)cc1 35622099 ZAPZVRDLLPDQPU-UHFFFAOYSA-N 311.433 3.354 0 40 DGAB COc1ccc(CCNC(=O)c2ccccc2OC(C)C)cc1 219732290 FPWBTARSLUOPQT-UHFFFAOYSA-N 313.397 3.455 0 40 DGAB Cc1cccc2nc(N3CCN(C(=O)C4CCC4)CC3)sc12 1055698065 QVGFDOMXWXMYEO-UHFFFAOYSA-N 315.442 3.053 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)[C@@H](C)c2nnc(C)o2)cs1 72762900 KLWVMAGYZYWLLU-UWVGGRQHSA-N 310.423 3.125 0 40 DGAB C[C@](C(=O)O)(c1ccc(Br)cc1)N1CCCCC1 37361869 FSEJEMIPXXSBNK-CQSZACIVSA-N 312.207 3.235 0 40 DGAB Cc1cc([C@@H](C)NCc2cc(=O)n3c(C)csc3n2)c(C)o1 183789682 VFKPPUGXWNRZFE-LLVKDONJSA-N 317.414 3.125 0 40 DGAB COc1ccc(-c2ccnc(N[C@@H](CO)C3CCCC3)n2)cc1 560213899 YLXOXZOKARMUPR-KRWDZBQOSA-N 313.401 3.115 0 40 DGAB CSC[C@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 77647616 XGXUTMXUAYPOAV-GZMMTYOYSA-N 322.257 3.142 0 40 DGAB O=C(NCCCn1ccnc1)c1cc(-c2ccco2)cs1 72243250 UKTBENOWXNRGPF-UHFFFAOYSA-N 301.371 3.025 0 40 DGAB COc1cccc(-c2cc(-c3ccc(C)o3)nc(N)n2)c1OC 71978408 SKECJPXDFJMGDK-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB CN1CCC(NC(=O)CCc2c(Cl)cccc2Cl)CC1 225363652 HQPACFUKLPGGSD-UHFFFAOYSA-N 315.244 3.136 0 40 DGAB COc1ccc(OC)c(C[C@H](Oc2ccccc2C)C(=O)O)c1 225114363 OUEIMRDERDRPMB-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CCOC(=O)c1c(NCCC(C)C)c2ccccc2[nH]c1=O 85345758 UGALPWKVJRGKBS-UHFFFAOYSA-N 302.374 3.163 0 40 DGAB O=C(Cc1cncc(O)c1)N1CCC[C@@H]1c1cccc(Cl)c1 574650512 BOJKICFBBKMXCR-MRXNPFEDSA-N 316.788 3.347 0 40 DGAB C[C@H]1CCCN(C(=O)COc2cccc(C(F)(F)F)c2)C1 41103633 WDGWDGGIVFTXGY-NSHDSACASA-N 301.308 3.343 0 40 DGAB CC(C)(C)[C@H](NC(=O)[C@@H]1CC12CCNCC2)c1ccc(F)cc1 195530201 VOHWKXDHOGYRFR-JKSUJKDBSA-N 318.436 3.419 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3cccc(Br)c3)=NN[C@@H]2C1 228937312 ZVKCVZVHVAKIBP-YPMHNXCESA-N 321.218 3.130 0 40 DGAB C[C@@H]1CNC(=O)N1c1cccc(NCc2cc(F)cc(F)c2)c1 97229848 OXDUCMLXWYTPRX-LLVKDONJSA-N 317.339 3.495 0 40 DGAB C[C@@H]1CCCCN1C[C@H](O)CO[C@@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 245253869 IALISDBBGAHRTK-RDHIYWLCSA-N 309.494 3.453 0 40 DGAB CN(C)Cc1cnc(CC2CCN(C3CCCCC3)CC2)cn1 257250775 JNXYAQBGUXLISV-UHFFFAOYSA-N 316.493 3.125 0 40 DGAB CCS[C@H]1CCCCN(C(=O)C2(c3ccccn3)CC2)C1 585131692 DCXCABVEMSTADC-AWEZNQCLSA-N 304.459 3.247 0 40 DGAB Cc1cc2c(Nc3ccc(N4CCCCC4)nc3)nccn2n1 274715226 BVJDMOHTLHNXAS-UHFFFAOYSA-N 308.389 3.167 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)Nc1ccc(N2CCCC2)nc1 61385775 OXXAEEUZYVOGEG-CYBMUJFWSA-N 314.389 3.028 0 40 DGAB CCOCCC1(CNC(=O)Nc2cc(CC)nn2C)CCCC1 83820364 LRFPOKHOPUUSRY-UHFFFAOYSA-N 322.453 3.091 0 40 DGAB C[C@@H](CCS(C)(=O)=O)N[C@@H](C)c1cc2ccccc2s1 188158091 ZMBNVSAEEDDTAS-RYUDHWBXSA-N 311.472 3.375 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc3cccnc23)cc1 5140721 OPFFFQUOJSIVMK-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB Cc1[nH]c2c(C(=O)NCCC[C@H]3CCOC3)cccc2c1C 12204131 WUEJIVVFBTXOHS-AWEZNQCLSA-N 300.402 3.331 0 40 DGAB Cc1cc(NC(=O)CNc2ccc3c4c(cccc24)CC3)no1 12534865 YFCFXGICLLNRPH-UHFFFAOYSA-N 307.353 3.285 0 40 DGAB COc1cccc(C(=O)NCCCCc2ccccc2)c1OC 12876246 AYVKOEXCRSKGAS-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB CC[C@H](NC(=O)[C@@H](C)n1cc(Cl)cn1)c1ccc(OC)cc1 19500456 IMQGXVFOGKUMAE-ABAIWWIYSA-N 321.808 3.374 0 40 DGAB COc1ccccc1-c1cc(=O)c2ccc(OC)c(OC)c2o1 1693747 SQXGVTMBPLETQL-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc2nc(N)sc2c1 226311665 BMTWCFGBOACHAS-UHFFFAOYSA-N 313.382 3.204 0 40 DGAB COC(=O)C(C)(C)NC(=O)/C=C/c1cc(Cl)ccc1Cl 32816761 VXMRQJVBYJZKRC-QPJJXVBHSA-N 316.184 3.074 0 40 DGAB Cc1nnc(-c2cc3ccccc3n2CC(=O)N2CCCCC2)o1 9573791 DUBADRHYQQZZLV-UHFFFAOYSA-N 324.384 3.012 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2cc(C)ccc2F)cc1 40099189 IJWOAAFTOLUWGA-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB CC1CCC(N(C)C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 40151351 ZVVSVSPDTUJGGL-CGZBRXJRSA-N 315.461 3.335 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)c(C)c1 108129 QBBAWFDMPDVLTB-GEEKYZPCSA-N 307.393 3.313 0 40 DGAB Cc1nc2ccccc2nc1N1CCN(Cc2ccccc2)CC1 29401266 HTTCUFUMMNSBFZ-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB COc1ccc2oc(=O)c(C(=O)Nc3ccc(C)cc3)cc2c1 313967 PIWXZDIUQQTIOO-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB Cc1ccc(S(=O)(=O)N(CCF)c2ccccc2C)cc1 1760533 XFJVVYQQUOKLQH-UHFFFAOYSA-N 307.390 3.468 0 40 DGAB CC(C)(C)N1C[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 21350110 WOYSDTOUDUCEQS-VIFPVBQESA-N 312.772 3.065 0 40 DGAB COc1ccccc1/C=C(\C(N)=O)c1nc2ccccc2s1 3848932 PCXCOHNWZQDAAF-ZRDIBKRKSA-N 310.378 3.331 0 40 DGAB CN(C)c1ccc(C(=O)NCCc2cccc3cccnc23)cc1 32898885 IJHAEUREBSMAQS-UHFFFAOYSA-N 319.408 3.273 0 40 DGAB Cc1cccc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)n1 32841600 ZYVIWDDVWAEEAP-UHFFFAOYSA-N 314.433 3.431 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(Cl)cc1 6501713 OEHWFGMDNDWKJR-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB COc1ccc(C(N)=O)cc1NCc1c(F)cccc1Cl 37119657 QDPJJPSBRXWYMA-UHFFFAOYSA-N 308.740 3.199 0 40 DGAB CCn1nc(NC(=O)c2ccco2)c2cc3ccccc3nc21 532979 RQRZNPFREUJHFQ-UHFFFAOYSA-N 306.325 3.450 0 40 DGAB O=C(NCCOc1ccc2ccccc2c1)Nc1cccnc1 53236067 NXUJIGIWVCVCFZ-UHFFFAOYSA-N 307.353 3.435 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cnc2ccccc2c1 89919959 KSBQQGUFQJGVBQ-KPZWWZAWSA-N 320.348 3.402 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)CCc1c[nH]c2ccccc12 53434880 ILOJDTDCFCAUKK-HNNXBMFYSA-N 300.402 3.128 0 40 DGAB CC1CCN(CCCNC(=O)N[C@@H]2CCc3ccccc32)CC1 53561820 KZLSVOXVUUOXPU-GOSISDBHSA-N 315.461 3.095 0 40 DGAB CCCCNC(=O)c1ccc(=O)n(Cc2ccccc2Cl)c1 22990809 ZTHRECORZFQOCJ-UHFFFAOYSA-N 318.804 3.080 0 40 DGAB c1ccc(CCN2CCN(c3nc4ccccc4s3)CC2)nc1 60847011 RMZTYDGNWVHECM-UHFFFAOYSA-N 324.453 3.056 0 40 DGAB CCc1c(C)nn(-c2nc3ccccc3[nH]2)c1OC(=O)C(C)C 20478033 SGLJLQHOYLCDTI-UHFFFAOYSA-N 312.373 3.181 0 40 DGAB Cc1ccc(C(=O)OCc2csc(-c3ccccn3)n2)cn1 23519442 YSUSRJNALLOQRU-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB CC(C)CN1CCC(NC(=O)NCc2cccc(Cl)c2)CC1 42932126 MFAYGJLQXJXDMI-UHFFFAOYSA-N 323.868 3.260 0 40 DGAB COC(=O)c1c(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCC2 101384012 UYDGUDMMEGWQTI-FOGDFJRCSA-N 319.426 3.398 0 40 DGAB CCOc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1 12490326 FEDCFQZBFLQKKT-UHFFFAOYSA-N 323.396 3.255 0 40 DGAB CCn1nnc2cc(C(=O)N3CCSc4ccccc43)ccc21 8232074 KASYDPFJDBWISH-UHFFFAOYSA-N 324.409 3.204 0 40 DGAB Cc1nc(-c2ccccc2)nc(SCC(=O)N(C)C)c1Cl 3133387 GDQNAMHWPXAOKN-UHFFFAOYSA-N 321.833 3.286 0 40 DGAB O=C(CCc1ncc(-c2c(F)cccc2F)o1)NCC1CCC1 26142493 YBVSZVAWBOROEA-UHFFFAOYSA-N 320.339 3.469 0 40 DGAB Cc1c([C@H](C)NC(=S)NC2CC2)cnn1-c1ccc(F)cc1 44136386 BSRCJQJHXNRGKH-JTQLQIEISA-N 318.421 3.007 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccsc1)c1ccc(F)cc1 12531650 KZLPBAPRYUTDPJ-AWEZNQCLSA-N 315.373 3.140 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccsc1)c1ccccc1F 26885473 DWOUQGRZUUNSCK-AWEZNQCLSA-N 315.373 3.140 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)Nc2ccc(F)cc2F)C1 58162927 LCWIOFBRJIXJLN-GFCCVEGCSA-N 311.376 3.207 0 40 DGAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2[nH]ncc2c1 20497245 NFCWBWKCPCXZSA-UHFFFAOYSA-N 319.723 3.373 0 40 DGAB C[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](C)CO1 45445987 XTGVPYXYVBRLKB-KGLIPLIRSA-N 300.402 3.126 0 40 DGAB Cc1occc1C(=O)NCc1ccc(NC(=O)c2ccco2)cc1 11146342 FVOVYLFQWOVMSV-UHFFFAOYSA-N 324.336 3.363 0 40 DGAB O=C(CN1CCC[C@@H]1CCc1ccccc1)N1CCCCC1 48324379 DJGAWTFATOXMJW-GOSISDBHSA-N 300.446 3.096 0 40 DGAB Cc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1 3443085 WTRFTNWWYUXFLP-UHFFFAOYSA-N 303.402 3.381 0 40 DGAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C1CCOCC1 65499460 FZDMJVBFEHYKSF-UHFFFAOYSA-N 319.405 3.077 0 40 DGAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1ccccn1 69775197 RXBXZJQRROCKPN-UHFFFAOYSA-N 316.788 3.171 0 40 DGAB Cc1nn(CCNC(=O)c2ccccc2Cl)c(C)c1Cl 8714525 DOZZJFIBPBQOHJ-UHFFFAOYSA-N 312.200 3.237 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)on2)cc1 14862219 WWAFAGHGKHAUJB-UHFFFAOYSA-N 302.330 3.192 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)c2cnn(C(C)C)c2C)s1 92497928 APUMLEPWUDRXJT-UHFFFAOYSA-N 306.435 3.202 0 40 DGAB O=C(CN1CCSC1=O)Nc1cc(Cl)ccc1Cl 15480424 XZTJEFMSBKDDIE-UHFFFAOYSA-N 305.186 3.101 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 20033802 KEVGJVVPWDEDBK-UHFFFAOYSA-N 305.403 3.370 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)N3CCCCCC3)o2)cc1 7754366 VPHCIDCQTQUCRZ-UHFFFAOYSA-N 313.401 3.380 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@H](C)OC[C@@H]1C 71185311 YLBCBWUHVPZFHJ-RYUDHWBXSA-N 316.426 3.368 0 40 DGAB O=C(c1ccc[nH]1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96008127 WCOKHIYUFARBNX-CQSZACIVSA-N 324.302 3.247 0 40 DGAB CCNC(=O)CNc1ccccc1Oc1ccc(OCC)cc1 9314530 JDROHKRQXUJARB-UHFFFAOYSA-N 314.385 3.426 0 40 DGAB COc1ccc(Nc2ccc(NC(=O)c3cnccn3)cc2)cc1 9322955 BVWOKLACXCSJKL-UHFFFAOYSA-N 320.352 3.481 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCCOc2c(F)cccc21 97046934 WSDIAZXSDQDOBD-GFCCVEGCSA-N 306.362 3.234 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)o1 97018895 SBYKTCMIVSQZNW-CHWSQXEVSA-N 319.744 3.051 0 40 DGAB CN(C)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 71824094 YCXFESDTFUMSCK-UHFFFAOYSA-N 322.452 3.449 0 40 DGAB COC(=O)C1(C(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)CC1 97146465 CEFSVIKKZRWHOR-VIFPVBQESA-N 321.760 3.217 0 40 DGAB Cc1cccc(NC(=O)NCc2csc(-c3ccco3)n2)n1 97378744 MMSNVQWQLBNPAM-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB Cc1ccc(CNC[C@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1 76042626 GJMKCOZSQCANSK-RHSMWYFYSA-N 319.474 3.274 0 40 DGAB Cc1cc(CC(=O)NCCSc2ccc(C)c(C)c2)no1 95397141 UCDCJCNXRADRSN-UHFFFAOYSA-N 304.415 3.051 0 40 DGAB COC[C@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccco1 95405902 OWKNMIVCHGBSGA-AWEZNQCLSA-N 316.357 3.114 0 40 DGAB O=C1CCCN1CC[C@@H]1CN(CC(F)(F)F)c2ccccc21 95432258 PCKYTAQJBWMSBC-GFCCVEGCSA-N 312.335 3.165 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 95969672 HTVMTWATQBZIQP-ZETCQYMHSA-N 322.748 3.385 0 40 DGAB C[C@H](C[C@H](O)c1cccs1)NCc1ccc2c(c1)OCCO2 95978231 OQRDSJMNVSSMHR-OCCSQVGLSA-N 319.426 3.121 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N[C@H]1CCc2c(O)cccc21 79060118 JFKNMONHQWYWKQ-FZMZJTMJSA-N 314.410 3.072 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2cc(CC)no2)C1 89282937 VGAOJSPCBHDZET-JSGCOSHPSA-N 311.451 3.053 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 89319431 OFFPAQDWPSWJQS-HZPDHXFCSA-N 321.490 3.496 0 40 DGAB COc1ccc(CNC(=O)N2CC[C@@H](c3ccccc3)C2)cc1 38567356 MYJBQMHLXQRHFR-QGZVFWFLSA-N 310.397 3.394 0 40 DGAB CCCCOc1ccc(S(=O)(=O)N(C)C)c2ccccc12 31903876 SBNWKYGXNGQFOR-UHFFFAOYSA-N 307.415 3.269 0 40 DGAB CCOc1ccc(C(C)=O)cc1CNC(C)(C)C[C@@H](C)CO 521396509 NTDVFYMQEAUHTH-CYBMUJFWSA-N 307.434 3.175 0 40 DGAB Cc1nc2cc(NC(=O)N[C@]34C[C@H]3COC4(C)C)ccc2s1 529050804 DOZLTGXFXIOOBE-MGPLVRAMSA-N 317.414 3.294 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2F)C1=O 36635707 WKISMEPNHQOHFT-OAHLLOKOSA-N 312.344 3.132 0 40 DGAB Cc1ccc(NC(=O)C[C@@H]2CNc3ccccc3NC2=O)c(C)c1 72325931 BGFRWMDGHFTYIC-CQSZACIVSA-N 323.396 3.312 0 40 DGAB biogenic COC(=O)c1cc(-c2cccs2)nc2c(Cl)c(C)nn12 36615666 LWEMJDRHMMSRFV-UHFFFAOYSA-N 307.762 3.206 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F 72227535 ROKHSQSYZOFPDX-KBPBESRZSA-N 324.277 3.260 0 40 DGAB CO[C@@H]1C[C@@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccsn1 566660409 NMFLYEFXYVSNKB-OFQRWUPVSA-N 316.426 3.224 0 40 DGAB C[C@H]1SCCN(C(=O)N[C@@H](c2nccs2)C2CC2)[C@@H]1C 74709638 XJCVAUHPFZLLDG-CKYFFXLPSA-N 311.476 3.130 0 40 DGAB Cc1ccc(Cc2nnc3sc(-c4cccc(N)c4)nn23)cc1 216756538 KIRQIJLKQNLBCY-UHFFFAOYSA-N 321.409 3.334 0 40 DGAB c1ccc(CN2CCC[C@@H](c3cncc(-n4ccnc4)n3)C2)cc1 72355451 LTAMGFPDWZOEOS-QGZVFWFLSA-N 319.412 3.042 0 40 DGAB O=C(Nc1ccc2nc(-c3cccnc3)[nH]c2c1)c1ccccn1 71282492 UCMPMFQORSEPRI-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CCS(=O)(=O)c1ccc(NC[C@@H](C)c2c(C)noc2C)cc1 225521573 XMAPJUSGHDOHCM-LLVKDONJSA-N 322.430 3.301 0 40 DGAB Nc1ncccc1-c1nc(-c2ccc(Br)cc2)no1 89263311 FCQZXJWGHDLMEZ-UHFFFAOYSA-N 317.146 3.143 0 40 DGAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1N1CCCCC1 49469170 ADABSSRLVJKTDD-UHFFFAOYSA-N 317.776 3.486 0 40 DGAB CC(C)N(C)CC(=O)N[C@H](C)c1ccc(-c2cccnc2)cc1 81992441 UBUYKUQFIKPNOP-OAHLLOKOSA-N 311.429 3.266 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC[C@@H]1C)[C@@H]2C(=O)O 225713682 GUOHAOSSSNLHLQ-YAYDYNKSSA-N 305.418 3.081 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)N[C@H](C)CC 225091107 MMNRRTZSJFPZLK-HZPDHXFCSA-N 318.461 3.427 0 40 DGAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CC 223745404 UPHQSVRJMBMSKD-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB CCOC[C@@H](O)CSc1ncc(C(F)(F)F)cc1Cl 193782362 JDAWWYREYUAVGL-MRVPVSSYSA-N 315.744 3.243 0 40 DGAB C[C@@H]1C[C@H](C(=O)Nc2ccc(CO)c(CO)c2)CC(C)(C)C1 585130742 AYUMDVDCGVLANS-OCCSQVGLSA-N 305.418 3.072 0 40 DGAB O=C(c1ccc(-c2cncs2)nc1)N1CCC(F)(F)CC1 257300359 RTYVANJWDQNCBB-UHFFFAOYSA-N 309.341 3.076 0 40 DGAB C[C@@H](c1ccccn1)N(C)C(=O)[C@@H]1CCC(=O)c2ccccc21 284088573 XCLZKHVBFBWZQF-XJKSGUPXSA-N 308.381 3.361 0 40 DGAB Cc1cccc(C(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)c1 575404623 SQLHNUZVXZHFKP-INIZCTEOSA-N 317.454 3.122 0 40 DGAB CC[C@H]1C[C@@H](NC(=O)NCc2ccc3occc3c2)CCO1 661332635 MXENINIBSSHPBW-GJZGRUSLSA-N 302.374 3.190 0 40 DGAB CNC(=O)c1cc(NC(=O)c2cc(C)oc2C)ccc1Cl 58193614 VYFWEYMJZACAQY-UHFFFAOYSA-N 306.749 3.162 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)C3=COCCC3)C2)n1 72282113 JLNUBJGRRZUKLK-LBPRGKRZSA-N 306.431 3.106 0 40 DGAB CCN(C)C(=O)c1cccc(C(=O)N2C[C@@H](C)CCC[C@@H]2C)c1 72295444 NOFWSKYYNWZDMM-GJZGRUSLSA-N 316.445 3.429 0 40 DGAB CCOc1cc(NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)ccc1C 97142462 HYPZPAZLNYKXLY-RDJZCZTQSA-N 318.417 3.473 0 40 DGAB Cc1ccc2c(c1)C(=O)O[C@H](C(=O)N1CCCc3ccccc31)C2 5033500 YLQQJOBNXXUXSG-SFHVURJKSA-N 321.376 3.056 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccccc1Cl 5126864 IMSQBQFRKOSQSL-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1ccccc1OCC(=O)NCCSCc1cccs1 5245673 DEZZXWQCFRQJCO-UHFFFAOYSA-N 321.467 3.485 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2C)cc1Cl 5251467 AZRVYNOLMKDIIV-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB CC(C)c1ccc(NC(=O)CN2C(=O)COc3ccccc32)cc1 15509194 RMRLXGBWGFCNAV-UHFFFAOYSA-N 324.380 3.174 0 40 DGAB Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCCN4C[C@@H]3C)c2)n1 19574805 CDDJIMDNYZXHOL-FXAWDEMLSA-N 324.472 3.158 0 40 DGAB Cc1nn(C)cc1-c1cncn1CCOc1ccc(Cl)cc1 19719432 PPKVGHSBLBMHBS-UHFFFAOYSA-N 316.792 3.324 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)N(C)[C@H](C)c1cccnc1 155039947 QLDUFIGUCHTFOT-LLVKDONJSA-N 300.362 3.480 0 40 DGAB Cc1cc2ncn(C[C@H](O)COc3ccc(F)cc3)c2cc1C 110030 MGQVKLBQKQLRNI-HNNXBMFYSA-N 314.360 3.232 0 40 DGAB Oc1cc([C@@H]2CCCCN2C2CCCCC2)nc2nccn12 2037845592 DQYBDBGPRHCBHX-HNNXBMFYSA-N 300.406 3.295 0 40 DGAB CCCSc1nc2c([nH]c3ccccc32)c(=O)n1CCOC 5106627 PJEDUGASFCPAFX-UHFFFAOYSA-N 317.414 3.026 0 40 DGAB Cc1nc2ccccc2n1C1CN(C2Cc3ccccc3C2)C1 1775974462 SMWXIFTYKNGBOW-UHFFFAOYSA-N 303.409 3.369 0 40 DGAB COC(=O)c1ccsc1NC(=O)CSc1ccccc1 4496672 CBWXRQLBGNFJHM-UHFFFAOYSA-N 307.396 3.266 0 40 DGAB Cc1ccc(Cc2nnc(Nc3cc(C)ccc3C)[nH]c2=O)cc1 5154397 KVPSSMUNTKOLIM-UHFFFAOYSA-N 320.396 3.425 0 40 DGAB O[C@@](/C=C/c1ccc(F)cc1)(Cn1ccnc1)c1cccnc1 4626497 JXJYOUPEMAQRAH-DVBCCOPCSA-N 309.344 3.018 0 40 DGAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccc(F)cc1 72072 DJPOMRULVFCPPX-UHFFFAOYSA-N 320.323 3.475 0 40 DGAB COc1ncccc1NC(=O)[C@H]1Cc2ccc(C)cc2S1 40119676 LNEQFSVRRPPZBQ-CQSZACIVSA-N 300.383 3.054 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1 40288619 UMOLTJHWHAOYDT-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB CCN(Cc1ccco1)C(=O)NC[C@H](c1ccsc1)N(C)C 46347351 VEZGMQAQLJGDKP-OAHLLOKOSA-N 321.446 3.176 0 40 DGAB COC(=O)c1ccc(-c2nc(-c3ccc(OC)cc3)no2)cc1 386279 DYPXOIOTQTUJQR-UHFFFAOYSA-N 310.309 3.199 0 40 DGAB CCCC[C@H](S[C@@](CC)(C(N)=O)c1ccccc1)C(=O)O 1705152 NNCDGIJFFKOTHG-XJKSGUPXSA-N 309.431 3.154 0 40 DGAB C[C@@H]1CCc2c(sc3nc(CN4CCCCC4)[nH]c(=O)c23)C1 2616124 JKMRMTACQSGKBL-LLVKDONJSA-N 317.458 3.095 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 6647271 HLUWPOKUNQIIHA-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB CCc1ccc2nc(Nc3nc(C(C)C)cc(=O)[nH]3)nc(C)c2c1 10157399 JYWQTJXBGXONCU-UHFFFAOYSA-N 323.400 3.451 0 40 DGAB CC(=O)c1cnc(Nc2nc(C)c3cccc(C)c3n2)nc1C 539791 JVVGXYMJEAALFL-UHFFFAOYSA-N 307.357 3.291 0 40 DGAB Cc1noc(CCCC(=O)N[C@H](C)c2ccc(Cl)s2)n1 46745429 DHWDFIJHRPRETC-MRVPVSSYSA-N 313.810 3.293 0 40 DGAB CCOCCCCNC(=O)Nc1cc(Cl)ccc1OC 47325463 JXYFXMHWWUHSTB-UHFFFAOYSA-N 300.786 3.287 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@H]1C[C@H]2CC[C@H]1C2 104879516 HWIXGTMIDPYTFK-WFGGJUAMSA-N 312.413 3.126 0 40 DGAB O=C(NC1CCC(C(=O)O)CC1)c1cccc(Cl)c1Cl 37561254 OSIVSBOYXNPLBS-UHFFFAOYSA-N 316.184 3.367 0 40 DGAB C[C@H]1CN([C@H](C)c2nccs2)CCN1C(=O)OC(C)(C)C 100405725 GOVXPZSYUAWFCT-NWDGAFQWSA-N 311.451 3.145 0 40 DGAB Cc1noc(C)c1CN1CCCN(Cc2ccc(F)cc2)CC1 55504401 OLJIXKBARDWIMS-UHFFFAOYSA-N 317.408 3.138 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2ccncc2)cc1 108352923 JDMPCDQRZCXDOC-NUDXDXSLSA-N 322.408 3.493 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)COc1ccc(F)cc1 55693633 OJLQVYYPDUAXDF-CQSZACIVSA-N 317.360 3.097 0 40 DGAB O=C(NCCc1cccnc1)N1CCC[C@H]1c1cccs1 44967874 BWRKMYWNVCCIRK-AWEZNQCLSA-N 301.415 3.232 0 40 DGAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ncccc1O 58392675 DXYFWUHFSQTVRI-GFCCVEGCSA-N 314.385 3.491 0 40 DGAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccccn1 28781584 KSSPHFKFCSKJMG-SNVBAGLBSA-N 310.275 3.471 0 40 DGAB Fc1ccc(-c2noc(CSc3nc(C4CC4)n[nH]3)n2)cc1 11473964 ZZOSZCSSKFEFNQ-UHFFFAOYSA-N 317.349 3.164 0 40 DGAB CN1CCC[C@H]1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 69512774 MPKNRTYWZPEPOM-QWHCGFSZSA-N 321.490 3.139 0 40 DGAB Cc1cnc(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)cn1 69705210 HNZNAGMCAHGKOZ-JTQLQIEISA-N 304.419 3.030 0 40 DGAB CC(C)=CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 69741219 SVGBKDTWPGSNER-UHFFFAOYSA-N 320.348 3.392 0 40 DGAB O=C(c1cccc(Br)c1)N1CCCc2ncccc21 8705696 XFJIPEJNAZAVJP-UHFFFAOYSA-N 317.186 3.437 0 40 DGAB c1ccn2cc(CSc3nnc(NC4CC4)s3)nc2c1 8725003 DJMLEZCTAAUFSI-UHFFFAOYSA-N 303.416 3.052 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 4349971 TXJLFKUYEVZDSL-ZDUSSCGKSA-N 324.380 3.002 0 40 DGAB COc1cc2cc(C(=O)N(C)Cc3ccccc3)[nH]c2cc1OC 5266409 QGYCRZFPLZFIGI-UHFFFAOYSA-N 324.380 3.457 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(OC[C@H]2CCCO2)cc1 14638615 CQCMGXRFDRXKEK-GOSISDBHSA-N 311.381 3.426 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2nsnc2c1 15841233 XYEBWGZJHYOHBY-SECBINFHSA-N 317.345 3.236 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCc3ccccc32)c1 7600903 ZVUNFGKKYCAJOO-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB COCc1cc(C(=O)N2CCCC3(CCCCCC3)C2)no1 81304892 FEWJDGIGVSATBQ-UHFFFAOYSA-N 306.406 3.398 0 40 DGAB OC1CCC(N[C@H]2CCc3c(Br)cccc32)CC1 91262167 IPARBAZEYLBPPU-NWHVRFAMSA-N 310.235 3.330 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1 78935184 GCBUEZJESSSYDJ-LSDHHAIUSA-N 323.506 3.102 0 40 DGAB Cc1c(C(=O)N2CCC(N(C)C)CC2)sc2ccccc12 71846627 YMVHJBKUKJLWAC-UHFFFAOYSA-N 302.443 3.376 0 40 DGAB Cn1cc(C(=O)N2CCCC[C@@H]2Cn2cccn2)c2ccccc21 71865053 LYVHNMQJJDPTRI-OAHLLOKOSA-N 322.412 3.070 0 40 DGAB COc1cccc(SCC(=O)N2CCn3cccc3[C@@H]2C)c1 71903777 PPYTWZQZTUGVDO-ZDUSSCGKSA-N 316.426 3.192 0 40 DGAB CC1(C)Cc2cccc(CNc3nnc(-c4ccncc4)o3)c2O1 97142111 HRVBDOJAKFVBMA-UHFFFAOYSA-N 322.368 3.457 0 40 DGAB C[C@@H](OC(=O)c1cn2ccccc2n1)c1nc2ccccc2n1C 79022941 RONIUELVTXPBHA-GFCCVEGCSA-N 320.352 3.139 0 40 DGAB c1cncc(-c2n[nH]cc2CN[C@H]2CCc3ccccc3C2)c1 84581796 RHAMIAULPNZTLT-SFHVURJKSA-N 304.397 3.119 0 40 DGAB CC(C)c1cc(N(C)Cc2nnc(-c3cccs3)o2)[nH]n1 95432179 BFPVJTCMBZFNPB-UHFFFAOYSA-N 303.391 3.281 0 40 DGAB O=C(N[C@H](CCCO)c1ccccc1)c1ccc2cc[nH]c2c1 95445696 BCYQOUCKGMMIBG-QGZVFWFLSA-N 308.381 3.412 0 40 DGAB O=C(c1csnn1)N1Cc2ccccc2-c2ccccc2C1 95948092 UMPKSQMVQUXZDI-UHFFFAOYSA-N 307.378 3.361 0 40 DGAB COc1cc([C@@H](C)NCCc2nc(C(C)C)no2)ccc1F 89577294 BWOBSHFBLSIVQA-LLVKDONJSA-N 307.369 3.234 0 40 DGAB Cc1cscc1C(=O)N(Cc1ccco1)C[C@@H]1CCCO1 89708873 AOHJQVIAZGYLAK-AWEZNQCLSA-N 305.399 3.471 0 40 DGAB CC(=O)c1c(C)nc2c(cnn2-c2ccc(Cl)cc2)c1N 1548338325 IOCPSWSMAWTGOV-UHFFFAOYSA-N 300.749 3.167 0 40 DGAB CC(C)c1ccc(-n2nnc(C(=O)O)c2-c2cccnc2)cc1 62267961 XXFNXXCJANLVRA-UHFFFAOYSA-N 308.341 3.151 0 40 DGAB O=C(NCCc1ncc2ccccn12)Nc1ccc(Cl)cc1 31773130 GRPIRHLYNAWAKN-UHFFFAOYSA-N 314.776 3.352 0 40 DGAB C[C@@H](CCN1CCOCC1)Nc1ccnc2cc(Cl)ccc12 34721071 AVOCPUOPDRSMCW-ZDUSSCGKSA-N 319.836 3.411 0 40 DGAB O=C(CSCCOc1ccc(Cl)cc1)Nc1cccnc1 31811798 QOIATZIXXKOPFG-UHFFFAOYSA-N 322.817 3.486 0 40 DGAB Cc1cc(Nc2nc(C)cs2)nc([C@H]2CCCCN2C)n1 72382358 AQGOCGPPQZYPGD-GFCCVEGCSA-N 303.435 3.450 0 40 DGAB COCCN(C(=O)c1ccc(C)c(Cl)c1)c1ccncc1 79310689 WEFODPWPPBAZME-UHFFFAOYSA-N 304.777 3.337 0 40 DGAB CO[C@@H](C(=O)NCc1ncc(-c2ccccc2)o1)c1ccccc1 76950632 LHVNTVYWLSEPLC-GOSISDBHSA-N 322.364 3.346 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1-c1ccccc1)n1cncn1 79039756 CSSJMNLLDPMIEM-CQSZACIVSA-N 306.369 3.169 0 40 DGAB CCCCOc1ccc(NC(=O)C(F)(F)F)cc1C(=O)OC 225782176 KKWKNKTZQAWERK-UHFFFAOYSA-N 319.279 3.153 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccnc1 224729316 XQQMCBXETXWINY-LJQANCHMSA-N 324.424 3.434 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(Cl)nc3ccccc32)cc1 43220501 JROMRQKWMIBUED-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)Nc1c[nH]nc1-c1ccccc1 192435839 KUEFAHTZHNNGHX-UHFFFAOYSA-N 315.373 3.137 0 40 DGAB Fc1ccc(-n2ncc3c(Cl)nc(Cl)nc32)c(F)c1 228953112 LILICOOGGDTNOQ-UHFFFAOYSA-N 301.083 3.401 0 40 DGAB CC1CCC(NC(=O)C(=O)Nc2ccc(OC(C)C)cc2)CC1 42646734 JMIPLONBMULMTL-UHFFFAOYSA-N 318.417 3.107 0 40 DGAB Cc1cn(C)nc1C(=O)N(C)[C@@H](C)c1nc2ccccc2s1 331881657 ZSJBCHFBMPSJMH-NSHDSACASA-N 314.414 3.171 0 40 DGAB CCc1csc(NC(=O)N[C@H](CCCO)c2ccccc2)n1 96435588 CRHQZNFUDZDUGX-CQSZACIVSA-N 319.430 3.341 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)[C@@H](O)c1ccc(F)cc1 95429978 PICLRCSJYAUICD-PIGZYNQJSA-N 312.344 3.159 0 40 DGAB COCC[C@H]1CN(Cc2ccccc2F)Cc2cccn2C1 585095322 PSILUXCBMJUYOI-HNNXBMFYSA-N 302.393 3.296 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@](C)(c2cccs2)C1=O 53864162 GLYOPTACISBFEY-MRXNPFEDSA-N 300.383 3.024 0 40 DGAB O=C(CC(F)(F)F)NCCc1ccc(OC(F)(F)F)cc1 49131228 RYWACJGSZYLVOG-UHFFFAOYSA-N 315.213 3.196 0 40 DGAB COc1cc(/C=C/C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc(OC)c1 67512867 OYMJGOWTXJZDQN-TYFAACHXSA-N 323.392 3.389 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)Nc1c(C)n[nH]c1C 69350159 SUKAMCTYKVCGOL-MRVPVSSYSA-N 306.341 3.057 0 40 DGAB CCCc1cc(C(=O)N[C@H](c2ccccc2)c2cccnc2)[nH]n1 12143743 RFMXJYMMBBYMOF-GOSISDBHSA-N 320.396 3.277 0 40 DGAB Cc1ccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)o1 12183908 XYVZLTCOLOOOOA-CQSZACIVSA-N 312.369 3.333 0 40 DGAB C/C(=C\c1ccccc1)[C@@H]1NC(N)=Nc2nc3ccccc3n21 7125581 YSUVMVPFDVAORU-LPQFERQCSA-N 303.369 3.188 0 40 DGAB Fc1cccc(Nc2ncnc3c2nnn3Cc2ccccc2)c1 4966626 YSHCMNBLGUUQEB-UHFFFAOYSA-N 320.331 3.152 0 40 DGAB CCOC(=O)Cc1nc(-c2ccc(Cl)cc2)oc1OCC 5863025 UIIVBIAACZGMEI-UHFFFAOYSA-N 309.749 3.499 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(Cc2c(F)cccc2Cl)C1 1889109009 PGFCPHPZKSHKTP-LLVKDONJSA-N 312.816 3.216 0 40 DGAB Cc1ccc(F)c(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1 2086992594 GWJHQAPAKCHBEV-UHFFFAOYSA-N 316.376 3.027 0 40 DGAB O=C(c1nccc2ccccc12)N1CCOc2ccc(F)cc2C1 347776942 AKISSZWEHQODOV-UHFFFAOYSA-N 322.339 3.409 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(S[C@H](C)C(=O)O)c23)C1 84877 FXFLKQRNKXZSGQ-JGVFFNPUSA-N 308.428 3.381 0 40 DGAB COC(=O)c1ccc(N2C(=O)CS[C@H]2c2ccccc2)cc1 179871 KQZJJSNIZPPMRQ-INIZCTEOSA-N 313.378 3.252 0 40 DGAB Cn1c(Sc2nc3ccccc3o2)nc2sccc2c1=O 51293790 IGILCXUBIFGYQH-UHFFFAOYSA-N 315.379 3.287 0 40 DGAB Cc1ccc(NC(=S)NCc2cccnc2N(C)C)c(C)c1 36845823 UXICHQOVINQFLS-UHFFFAOYSA-N 314.458 3.251 0 40 DGAB Cc1ccc([C@](O)(c2nc3ccccc3[nH]2)C(F)(F)F)c(O)c1 99774 QQBKPEOJPNHCIL-HNNXBMFYSA-N 322.286 3.375 0 40 DGAB COc1ccccc1OCC(=O)Nc1nc2c(s1)CCCC2 151314 UXQBHHXYMFXYAW-UHFFFAOYSA-N 318.398 3.048 0 40 DGAB CCOC(=O)C1=C(SCC)c2cc3c(n2C1=O)CCCC3 261211 CPSOMWZCOOZHJZ-UHFFFAOYSA-N 305.399 3.048 0 40 DGAB O=C(NCCSc1ccc(Cl)cc1)NCc1cccnc1 29657416 HZFJJOBIJWOQJF-UHFFFAOYSA-N 321.833 3.327 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccc(C)c(F)c2)cc1 2658016 UZERUUQMAVYJEE-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 11917160 PJGLLLMIEHQMCA-UHFFFAOYSA-N 300.343 3.008 0 40 DGAB Cc1cc(N(C)C)ccc1NC(=O)Cc1noc2ccccc12 46675343 IRPUJDREEDNNLH-UHFFFAOYSA-N 309.369 3.383 0 40 DGAB O=C1N=C2SCCCN2C1(c1ccccc1)c1ccccc1 1611635 ZFEOUZINYPNLSJ-UHFFFAOYSA-N 308.406 3.265 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccco1)c1ccc(C)cc1 32748183 CLHJXDYFYTXXBU-CJNGLKHVSA-N 314.385 3.033 0 40 DGAB O=C(Nc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 41172222 AAJDRFVCBCLUGH-INIZCTEOSA-N 300.333 3.431 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccccc1 32869594 XWXRPECOTRVTGX-UHFFFAOYSA-N 301.411 3.087 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2cccc(N3CCCC3=O)c2)n1 46814959 LZHBVBQQQJSEPZ-GFCCVEGCSA-N 314.389 3.493 0 40 DGAB CCc1cccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c1 10804553 CWPAGCNOADJSTF-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c(C)c1 578617 MZBPBUFMWBWUQQ-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB COc1ccc(F)cc1C(=O)COC(=O)c1c(C)oc(C)c1C 10868869 BICCMRJZQIMAAF-UHFFFAOYSA-N 320.316 3.392 0 40 DGAB CCn1nc(NC(=O)c2ccncc2)c2cc3ccccc3nc21 18193739 UEBJOUHLOPRPQU-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CN(C)c1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cn1 22418793 RFCUKFUBFRNJNB-UHFFFAOYSA-N 323.318 3.348 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1 22511360 KYJXIOOISMEENZ-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB CC(C)c1nnc(CN2CCO[C@H](c3ccccc3Cl)C2)o1 69918303 JPRQMMGRZGATHT-AWEZNQCLSA-N 321.808 3.420 0 40 DGAB COc1ccc(NC(=O)COc2cccc3ccccc23)cn1 12548720 JFSMHEWYLANMEG-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)Cc2cccs2)C1 106137192 VYHWMLKFAZQURS-GDBMZVCRSA-N 314.454 3.242 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N(Cc1ccccn1)C1CC1 43360022 YNLHQUUDNKOKMO-UHFFFAOYSA-N 315.402 3.007 0 40 DGAB CCC(=O)NCC1(c2cccc(C(F)(F)F)c2)CCOCC1 55452938 NCRPTWCTPKLLOV-UHFFFAOYSA-N 315.335 3.280 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25012604 IZKJYGMVICEKIG-GXFFZTMASA-N 309.793 3.420 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C1CCCCC1)c1ccc(F)cc1 12530711 WTLDLSCPASRXQI-MRXNPFEDSA-N 315.392 3.345 0 40 DGAB C[C@@H](C(=O)N1CCCC[C@H]1c1nccs1)N1CCCCCC1 76042857 WPTAYNUWBKOJFH-GJZGRUSLSA-N 321.490 3.461 0 40 DGAB NC1=C(c2nc3ccccc3s2)CC(=O)N1c1ccccc1 3223760 PHMRVVVXZGHVOZ-UHFFFAOYSA-N 307.378 3.361 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1ccc(-c2csnn2)cc1 57241629 XBYJHHNSFIWWKF-FPYGCLRLSA-N 308.366 3.252 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101488427 IMJGMASRFMEFGF-BHPKHCPMSA-N 301.386 3.012 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cccc3ccccc23)C1 3257030 NRYRMCVROZSBMY-OAHLLOKOSA-N 311.381 3.255 0 40 DGAB O=C(NCc1ccccc1F)N1CC[C@H](Nc2ccccc2)C1 58230223 JLSXLPAPSWMNMD-INIZCTEOSA-N 313.376 3.222 0 40 DGAB Cc1cn2nc(NC[C@H]3CCO[C@@H]3c3ccccc3)sc2n1 78357905 MRRJKCJKHVHTJW-ZIAGYGMSSA-N 314.414 3.289 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1Nc2ccccc2C(=O)N1CC(F)(F)F 44979361 UZUDTIBCNKYHLY-ZDUSSCGKSA-N 324.306 3.155 0 40 DGAB Cc1nc(CNC(=O)N[C@@H]2CCCOc3ccccc32)cs1 58415266 RIFSQCAOHYCPJK-CQSZACIVSA-N 317.414 3.165 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 10785470 ZHCLNCRNCSVZKO-UHFFFAOYSA-N 305.381 3.453 0 40 DGAB COc1cc(-c2nc(-c3ccccc3)no2)cc(OC)c1OC 2332620 BEXLYYMKMNIZNU-UHFFFAOYSA-N 312.325 3.429 0 40 DGAB C[C@H](NC(=O)c1ccco1)C(=O)OCc1cccc2ccccc12 11351744 SKQWBCZTHTUSLM-ZDUSSCGKSA-N 323.348 3.295 0 40 DGAB C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@H](C)O1 12757306 YGZOCQILAKMQKW-YUMQZZPRSA-N 306.164 3.382 0 40 DGAB CCOc1ccc(CN(C)C(=O)c2cc(Cl)c[nH]2)cc1OC 29000066 FDBRXOHWPCYPCU-UHFFFAOYSA-N 322.792 3.348 0 40 DGAB CN(Cc1ccccc1NC(=O)c1cnccn1)C1CCCCC1 12893377 LRKFBNIHJNTTKF-UHFFFAOYSA-N 324.428 3.493 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)Cn1cnc2ccccc21 5198902 ABBXHLPFJKYEPP-HNNXBMFYSA-N 307.397 3.174 0 40 DGAB CC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 6315540 YONIKERKSUGXNE-UHFFFAOYSA-N 324.789 3.099 0 40 DGAB O=C(Nc1ccc(Cl)c(F)c1)c1ccc(N2CCCC2)nn1 65501500 BTKRLNGQYHIEIC-UHFFFAOYSA-N 320.755 3.122 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccc(Cl)cc1 5451062 QSFFPHHRLJZXPV-UHFFFAOYSA-N 313.788 3.465 0 40 DGAB O=Cc1c(OS(=O)(=O)c2ccccc2)ccc2ccccc12 4723726 GBTJPHLQUIPBII-UHFFFAOYSA-N 312.346 3.420 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)Sc2nnc(C)n2C)c(C)c1 6790328 ANORBUGOXDKIRC-GFCCVEGCSA-N 318.446 3.168 0 40 DGAB Cc1oc(-c2ccco2)nc1CSCC(=O)NCC1CCC1 66586278 YUQPDKRTTWBMLA-UHFFFAOYSA-N 320.414 3.393 0 40 DGAB O=C1c2nc3cc(F)c(F)cc3nc2CN1C1CCCCC1 5749231 QUAOHXDZIJGJFS-UHFFFAOYSA-N 303.312 3.197 0 40 DGAB CCOc1ccc(C(=O)N2C[C@H](N(C)C)Cc3ccccc32)cc1 67204866 NKMZQQLGCKMEQW-QGZVFWFLSA-N 324.424 3.218 0 40 DGAB CN(CC(=O)Nc1cccc2ccccc12)C(=O)C1CCCC1 7407845 HXLCGDPIZOPAKT-UHFFFAOYSA-N 310.397 3.427 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)cn1 68281752 BKYUHIDLEGMDHN-UONOGXRCSA-N 313.401 3.165 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1c(C)nn(-c2ccccc2)c1C 71853644 NZEQNENCXPBDHC-UHFFFAOYSA-N 323.400 3.266 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC[C@@H](C)C1 16642419 ASORHMLWEXLWDM-LLVKDONJSA-N 301.415 3.386 0 40 DGAB Cc1cccc2nc(CNCc3cccc4c3OCCCO4)cn12 69024400 AXKXMLHCUNLAQO-UHFFFAOYSA-N 323.396 3.094 0 40 DGAB O=C(NCc1ccc(-c2ccccc2F)o1)C1CCOCC1 69452008 AQIPPIOLACZYPP-UHFFFAOYSA-N 303.333 3.129 0 40 DGAB Cc1ccc2c(c1)CC[C@H]2NCc1cnc(N2CCCC2)nc1 71837188 CBCRSMHAEMWHLO-GOSISDBHSA-N 308.429 3.162 0 40 DGAB NS(=O)(=O)c1ccc(-c2csc(C3CCCC3)n2)cc1 96402820 DUTPIXMGAYDALI-UHFFFAOYSA-N 308.428 3.115 0 40 DGAB O=C(Nc1c(F)cccc1Oc1ccccc1)N1CC[C@H](O)C1 97085207 QRDGYGFDYBYEQQ-LBPRGKRZSA-N 316.332 3.217 0 40 DGAB CCCc1ncc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)s1 97018489 VSOBEYMIDAPEAQ-UHFFFAOYSA-N 318.398 3.066 0 40 DGAB CN(C[C@H]1CCCOC1)C(=O)Nc1cc(Cl)cc2c1OCC2 97145867 ADYWDEYJSSDGKU-LLVKDONJSA-N 324.808 3.165 0 40 DGAB c1csc(-c2nnc(NCc3nc4c(s3)CCC4)o2)c1 97114551 WRVKQMJLUKUOCZ-UHFFFAOYSA-N 304.400 3.355 0 40 DGAB NC(=O)[C@@H](Nc1ccc(OC2CCC2)c(F)c1)c1ccccc1 78996692 QAIIFNFNNVRZBL-KRWDZBQOSA-N 314.360 3.396 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)N(C3CC3)[C@@H](C)C3CC3)cc12 97212668 DHPPLZGCZQVHMB-NSHDSACASA-N 313.405 3.072 0 40 DGAB Cc1nc(C)c(C(=O)NC[C@@H](C)c2nc3ccccc3s2)o1 95427162 URRKYCUGFQCQGG-SECBINFHSA-N 315.398 3.435 0 40 DGAB Cc1cc(COc2ccccc2CC(N)=O)c2ccccc2n1 95442500 YNKOHBAGBQNNIQ-UHFFFAOYSA-N 306.365 3.150 0 40 DGAB Cc1ccc(NC2CCN(C(=O)c3cncc(C)c3)CC2)cc1 79940350 ZUFDGELZJOTNFR-UHFFFAOYSA-N 309.413 3.415 0 40 DGAB Cc1nnc(CCCn2c(-c3cccc(F)c3)csc2=O)o1 95994821 YMLMQESHBNFYIV-UHFFFAOYSA-N 319.361 3.040 0 40 DGAB Cc1cc(N2CCN(c3nccs3)CC2)c2ccccc2n1 89583055 JWVPLSMQXPBYCY-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB CC(=O)Nc1cccc(NC(=O)N(CC(F)F)C(C)C)c1C 89540407 ULFMHFRNZYACBP-UHFFFAOYSA-N 313.348 3.461 0 40 DGAB O=C(Nc1cccc2cccnc12)c1ccc(Cn2cccn2)o1 27981483 QDOWMLJZOPWWOZ-UHFFFAOYSA-N 318.336 3.325 0 40 DGAB CO[C@@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2OC(F)F)C1 189728582 QCCRHMYPPYUQLI-VHSXEESVSA-N 318.295 3.116 0 40 DGAB CCN(c1ccc(F)c(F)c1)S(=O)(=O)c1ccc(F)cc1 75632425 LBIIDFAGQOVAFY-UHFFFAOYSA-N 315.316 3.319 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1c(F)cccc1F 32469624 LUYRZSQXJNUBOG-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H](Cc2nccs2)C1 72385744 SXNOUTLNJIAYNR-NSHDSACASA-N 307.444 3.003 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2cccn2)cc1 40105145 QWOLOVJIDZVMES-IZZDOVSWSA-N 321.355 3.341 0 40 DGAB Cc1cnc(NC(=S)NC(C)(C)C)c(Br)c1 223880955 OLUKPZNPPCXGIO-UHFFFAOYSA-N 302.241 3.237 0 40 DGAB CCNC(=O)c1ccc(OC)c(COc2ccc(OC)cc2)c1 224261368 VAZVWESOQNBAHO-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB OCc1nc2ccccc2n1Cc1csc(Br)c1 60816917 FTKCEZMFQBQPNL-UHFFFAOYSA-N 323.215 3.401 0 40 DGAB OC[C@H](Cc1ccc(O)cc1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 190515825 HOWLDFUQVVQJOQ-MJBXVCDLSA-N 317.351 3.006 0 40 DGAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1cccnc1)C2 225488010 JZNWDBVGBCOHOG-KRWDZBQOSA-N 323.396 3.121 0 40 DGAB biogenic,in-vitro Cc1ccc(COC(=O)c2snnc2-c2cccnc2)cc1 223851696 QSXPWOYQAUTSAG-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB CCOc1ccc(-c2cnc(CCC(=O)NCC(C)C)o2)cc1 224854917 SHNONMYSINSKEX-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB COc1ccc2c(c1)c(C(=O)N1CCc3ccccc3C1)cn2C 85431295 LKJDDNBWCHZQLU-UHFFFAOYSA-N 320.392 3.385 0 40 DGAB CC(C)(C)c1ncsc1C(=O)Nc1n[nH]c(-c2ccoc2)n1 96446379 OZBPLDQLKCBRGB-UHFFFAOYSA-N 317.374 3.071 0 40 DGAB CC(C)n1ccnc1CNc1ccc(-c2nnnn2C2CC2)cc1 95411948 GGIHCJCCMILGRM-UHFFFAOYSA-N 323.404 3.065 0 40 DGAB CSC(C)(C)COC(=O)c1ccccc1-c1nnc(C)o1 97236344 LROVQFMDHOKJCC-UHFFFAOYSA-N 306.387 3.343 0 40 DGAB COc1cc(OC)c(NC(=O)[C@@H](C)N2CCCCCC2)cc1F 96461595 ILKHLCYBHUCPFQ-GFCCVEGCSA-N 324.396 3.046 0 40 DGAB Fc1cc(F)cc(Cc2nc3nccc(-c4ccco4)n3n2)c1 96345226 VPWFAKILLIWNOX-UHFFFAOYSA-N 312.279 3.253 0 40 DGAB CC(=O)Nc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 248768774 XOCGMPVDFONCHQ-XKDXWZMYSA-N 314.429 3.253 0 40 DGAB COc1ccc(C(=O)N(C)c2ccc(O)c(C)c2)c(C)c1OC 585134180 HAXSPEAVNGWXOW-UHFFFAOYSA-N 315.369 3.303 0 40 DGAB Cc1ccc(-c2ccnn2C)cc1NC(=O)NCc1ccccn1 390835723 WBHOTCYCGVPGIN-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB Cc1occc1C(=O)Cc1nc2ccc(C(C)C)cc2c(=O)[nH]1 57771593 XHSSZVYMRJGBBX-UHFFFAOYSA-N 310.353 3.373 0 40 DGAB Cc1ccccc1C1=N/C(=C/c2ccc3c(c2)OCO3)C(=O)O1 178023 VGNFHOOKILTMRU-RIYZIHGNSA-N 307.305 3.068 0 40 DGAB COc1cc(/C=C2/Nc3ccc(Cl)cc3NC2=O)ccc1O 17142060 KMCDMEWUPFIFNS-AWNIVKPZSA-N 316.744 3.459 0 40 DGAB C1CC[C@H](OCC2(CO[C@@H]3CCCCO3)CCCCO2)OC1 17378934 IDTOTNQBUSKSAI-SJPCQFCGSA-N 314.422 3.012 0 40 DGAB O=c1cc([C@@H]2CCCCN2C2CCCC2)nc(-c2ccncc2)[nH]1 19405819 LURMFGAJCMKYGX-KRWDZBQOSA-N 324.428 3.302 0 40 DGAB C[C@H](Cn1cncc1-c1cnn(C)c1)Oc1ccccc1Cl 19719490 IFUJHLHJBMMWGV-GFCCVEGCSA-N 316.792 3.405 0 40 DGAB COc1cccc(O[C@H](C)CNC(=O)N2[C@@H](C)CC[C@H]2C)c1 152329754 WAZUFTDDIZYDPB-HZSPNIEDSA-N 306.406 3.045 0 40 DGAB COc1cc(OC)c(OC)cc1/C=C1/SC(=S)N=C1O 2536870 GJAYKCMAXFREKQ-VZUCSPMQSA-N 311.384 3.042 0 40 DGAB CC(C)N(C(=O)CN1C(=O)c2cccc3cccc1c23)C(C)C 6128215 BTCTVNZQURHJOD-UHFFFAOYSA-N 310.397 3.445 0 40 DGAB CN(Cc1ccccc1F)C(=O)CCc1nc2ccccc2[nH]1 26457873 SAXLAGRFAQYLTE-UHFFFAOYSA-N 311.360 3.293 0 40 DGAB CCCc1noc([C@@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 27589176 IWIIDXIJDIYXSX-LLVKDONJSA-N 319.361 3.088 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2nccc3ccccc23)CC1 2087130527 RYJSFBODWOLPAP-UHFFFAOYSA-N 311.429 3.366 0 40 DGAB Cc1ccc(Cc2nnc(Nc3cccc(C)c3)[nH]c2=O)cc1 5154343 JIELZUKHUWEYCA-UHFFFAOYSA-N 306.369 3.116 0 40 DGAB O=C(NCC1CCN(C2CCCC2)CC1)c1ccc(F)c(F)c1 23127970 QOGCEDIXNLKGCF-UHFFFAOYSA-N 322.399 3.349 0 40 DGAB O=C(NC1CCCCC1)c1cnn2c(-c3ccccc3)ccnc12 37579629 JNLQQIKZLIQOEH-UHFFFAOYSA-N 320.396 3.459 0 40 DGAB CCCNC(=O)[C@@H]1CCCN(Cc2csc(C(C)(C)C)n2)C1 50995593 PUTWLPXCFACDPO-CYBMUJFWSA-N 323.506 3.179 0 40 DGAB Cc1oc(C)c(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 8128924 BFYHLRVCINGZTR-UHFFFAOYSA-N 312.369 3.349 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)Oc1cccc2cccnc12 2685087 JKJAASSIQGXHFY-UHFFFAOYSA-N 317.341 3.450 0 40 DGAB O=c1cc(CO)oc([C@@H](Nc2ccccc2)c2ccccc2)c1O 1587765 SDUJCHJWBKZEPC-KRWDZBQOSA-N 323.348 3.039 0 40 DGAB CCCC[C@H](S[C@](CC)(C(=O)O)c1ccccc1)C(N)=O 1751953 MYKPUUTZCNZZPJ-BBRMVZONSA-N 309.431 3.154 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@H](C)c1ccccc1 3318035 IQACKLTZRWXQIO-GFCCVEGCSA-N 303.383 3.091 0 40 DGAB COc1ccc(Cl)cc1NCc1nnc2n1CCCCC2 4518193 HBOVCXPYIBAIII-UHFFFAOYSA-N 306.797 3.279 0 40 DGAB C[C@H]1CC=CC[C@H]1COC(=O)C(=O)OC[C@@H]1CC=CC[C@@H]1C 4578669 HKCVPIRKQKHQSU-VGWMRTNUSA-N 306.402 3.277 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2F)cc1 6029759 MTNNQDQNKMEIJW-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC[C@H]1CCc2c(sc(NC(=O)C3CC3)c2C(=O)OC)C1 483993 XJCZIXFITZPATB-VIFPVBQESA-N 307.415 3.398 0 40 DGAB C[C@H](OC(=O)c1ccccn1)c1nnc(-c2cccs2)o1 8391316 FSBUBFBDXRCGBD-VIFPVBQESA-N 301.327 3.111 0 40 DGAB Cc1cc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)ccc1N1CCCC1=O 102673962 TWCDVUJAXOAKLB-OFQRWUPVSA-N 310.397 3.273 0 40 DGAB Cc1csc(CNC(=O)c2cc(-c3cccc(F)c3)no2)n1 47072079 SGQUAPHHRBLBRF-UHFFFAOYSA-N 317.345 3.176 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)/C=C/c1ccccc1 23076755 QMHGYIGGUZDVHU-CSKARUKUSA-N 309.365 3.130 0 40 DGAB CC(C)[C@H](C)NS(=O)(=O)Cc1c(Cl)cccc1Cl 104105965 KUUXNBGURQBRPM-VIFPVBQESA-N 310.246 3.457 0 40 DGAB O=C(c1cnccn1)N(Cc1ccccn1)c1ccc(Cl)cc1 55788879 JJWSSDHFIGFBBC-UHFFFAOYSA-N 324.771 3.372 0 40 DGAB Cc1cc(CN2CCN([C@@H](C)c3cccc(F)c3)CC2)on1 56490084 SLZCFUJWXPGQLX-AWEZNQCLSA-N 303.381 3.001 0 40 DGAB C[C@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(F)c(F)c1 26186489 YCKTUBXTIWRVDR-WDEREUQCSA-N 305.328 3.481 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccccn2)N1Cc1cccnc1 57770950 KFUZEMJSBJHASH-SFHVURJKSA-N 316.364 3.243 0 40 DGAB COc1ccc(-c2nnc(CN3C[C@@H](C)C[C@H](C)C3)o2)cc1 27342648 SBNAMIFTPSKMEZ-STQMWFEESA-N 301.390 3.223 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)COc2ccccc2C)cc1 55694821 HNPBDDWOBRHCEI-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@@H]1CCCO1 27995929 FYYSDPYSVZAZKR-KRWDZBQOSA-N 303.446 3.439 0 40 DGAB C[C@H](NCc1csc(-c2ccccn2)n1)[C@H](C)n1cccn1 69368501 MFRBMADNYULVNY-STQMWFEESA-N 313.430 3.141 0 40 DGAB CCn1c(S[C@@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1 3498987 PVJKDWQTSPAEDG-LLVKDONJSA-N 323.805 3.026 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Cl)cc1 3450978 FHRDFFMFLVAWHF-FZMZJTMJSA-N 309.793 3.192 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 3487294 LRYFGSDEVXJARU-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)o1 3439928 YEKJLKWTDONQCQ-UHFFFAOYSA-N 307.733 3.345 0 40 DGAB COCc1c(C(=O)N2C[C@@H](C)OC[C@H]2C)sc2ccccc12 69414889 CEAPBPNVJHQAKT-VXGBXAGGSA-N 319.426 3.297 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)c1 18013842 XWBKDWHEZVCAOK-CYBMUJFWSA-N 321.380 3.031 0 40 DGAB CC(=O)N1CCc2ccccc2[C@@H]1CC(=O)N[C@@H](C)C(C)(C)C 69818239 YQZFKJCDPQTDRJ-GUYCJALGSA-N 316.445 3.073 0 40 DGAB O=C(CCCc1cccs1)N1CCC[C@@H](n2cccn2)C1 65609572 FQSLATBFWMGNPF-CQSZACIVSA-N 303.431 3.131 0 40 DGAB CCN(Cc1cccc(F)c1)C[C@@H](O)COc1ccccc1 14200889 IIANMIMNKBUXBP-QGZVFWFLSA-N 303.377 3.088 0 40 DGAB CCCCOCCCNC(=O)c1ccc(NC(=O)C(C)C)cc1 4681012 WSBPGLUMVVMHTG-UHFFFAOYSA-N 320.433 3.218 0 40 DGAB COc1ccccc1C(=O)N1CCN([C@H]2CCC[C@H](C)C2)CC1 4745986 SQUUOBNSBPLQNM-HOTGVXAUSA-N 316.445 3.032 0 40 DGAB CCOc1ccc(CCNC(=O)NC(C)(C)C)cc1OCC 6934864 VUBQZCBJCUHBBZ-UHFFFAOYSA-N 308.422 3.124 0 40 DGAB C[C@H]1CCc2c(C(=O)Nc3sccc3C(N)=O)csc2C1 8733842 UZJDNUQCIHBKDK-QMMMGPOBSA-N 320.439 3.286 0 40 DGAB COC(=O)c1sccc1NC(=O)Cc1ccc(C)c(OC)c1 9077017 ZPWYZZMDVUEEPF-UHFFFAOYSA-N 319.382 3.033 0 40 DGAB CNc1nnc(SCC(=O)C23CC4CC(CC(C4)C2)C3)s1 7101598 HZPQDKWSCZAETL-UHFFFAOYSA-N 323.487 3.457 0 40 DGAB Cc1cc(C)c(CNC(=O)Cc2ccc3ccccc3c2)c(=O)[nH]1 7118390 UTWKUKDRBVRZIR-UHFFFAOYSA-N 320.392 3.004 0 40 DGAB CCOc1cccc2cc(C(=O)NCc3ccccc3)c(=O)oc12 7602760 RONSTSSFTQBDAS-UHFFFAOYSA-N 323.348 3.122 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C)CC2=O)c1 408708629 RSQTVHDRVGXTKM-INMHGKMJSA-N 314.429 3.043 0 40 DGAB COc1ccc(C(=O)O[C@H](c2ccccc2)c2ccncc2)cn1 68724835 HCBZZRUSKOHIGT-GOSISDBHSA-N 320.348 3.432 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3ccncc3)cs2)cc1 9367690 LBRMBVHUEKGPMC-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB O=C(C[C@](O)(c1ccccc1)C1CC1)Nc1ccc(O)cc1F 97098095 MNKYTCURSYRJNM-SFHVURJKSA-N 315.344 3.158 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CCOCC1 19897720 ARCNTBFZDWYGJN-UHFFFAOYSA-N 304.434 3.204 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)[C@H](C)n2c(C)ccc2C)C1 72234605 WPRMJNFPAYTLQK-DOTOQJQBSA-N 314.433 3.035 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccc(Cl)s1 71859130 FYKQAEZLMNHALL-UGZDLDLSSA-N 319.879 3.098 0 40 DGAB Cn1cc([C@H]2C[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cn1 71830411 ICCAVLQIHIIQCP-RTBURBONSA-N 323.440 3.005 0 40 DGAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccccn1 27921906 ABAYRMBQWSCMRH-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCc1nc2ccccc2[nH]1 9745546 RLKRAQJRSHIGEN-UHFFFAOYSA-N 318.380 3.293 0 40 DGAB CSc1c(F)cc(NC(=O)NCCc2ccccn2)cc1F 97107733 HQGGOPAEPSZEGG-UHFFFAOYSA-N 323.368 3.446 0 40 DGAB CCOC(=O)c1nnc2ccccc2c1N1C[C@@H](C)C[C@H](C)C1 78824747 RCVGAXKPKIJZHV-STQMWFEESA-N 313.401 3.289 0 40 DGAB CCCN(CC(C)(C)O)c1cc(CC)nc(-c2ccncc2)n1 84755149 CNOAQOCIDIKXSV-UHFFFAOYSA-N 314.433 3.088 0 40 DGAB Cc1nc(C)c(C(=O)Nc2nc3c(F)cc(F)cc3s2)o1 95407155 HIVQENSMHYPONM-UHFFFAOYSA-N 309.297 3.432 0 40 DGAB Cc1ccc(C)c(C(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 95430041 SAQSWKVQRPAEIS-SUMWQHHRSA-N 301.361 3.294 0 40 DGAB COCCn1cc(CCC(=O)Nc2ccncc2)c2ccccc21 79486555 VTUYAHJMQHQIAS-UHFFFAOYSA-N 323.396 3.254 0 40 DGAB CCOC(=O)N1CCC(N[C@H]2CCC[C@H](SCC)C2)CC1 89158145 NZVOBAIRMZZHBS-GJZGRUSLSA-N 314.495 3.261 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)O[C@H](C(C)(C)C)C(F)(F)F 89505791 JCGJSYPOQJJGES-CYBMUJFWSA-N 320.355 3.490 0 40 DGAB Cc1cccc2c1N(C(=O)c1ccc(N3CCOCC3)cc1)CC2 89688975 BEEKYPSOBYQKAT-UHFFFAOYSA-N 322.408 3.035 0 40 DGAB CC(C)(O)CSCCNCc1ccc(Cl)c2cccnc12 89761838 DDNJZOGDBXRVNM-UHFFFAOYSA-N 324.877 3.482 0 40 DGAB CC(C)(C)c1cc(CC2(NCC3CCCCC3)COC2)no1 67897835 WYIICGFYVVEJAQ-UHFFFAOYSA-N 306.450 3.454 0 40 DGAB biogenic,in-vitro CC(C)[C@@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)O 33450827 SHLOYHQTLXYXHM-YCABEKBOSA-N 303.402 3.223 0 40 DGAB c1cnc2[nH]c(C3CCNCC3)c(CN3CCCCCC3)c2c1 72394688 IGQYSBRWOIMZJP-UHFFFAOYSA-N 312.461 3.406 0 40 DGAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@H](CO)C2)cc1 72597429 IJSXOHCJVFRCTR-HNNXBMFYSA-N 320.433 3.348 0 40 DGAB C[C@H](Oc1cccc2ccccc12)C(=O)N1C[C@@H](C)O[C@H](C)C1 32647972 KIEIPMXYKQSFNX-KFWWJZLASA-N 313.397 3.243 0 40 DGAB O=c1c2sccc2ncn1[C@@H]1CCc2ccccc2N=C1O 36365138 JWWUMSUVLRMHGG-CYBMUJFWSA-N 311.366 3.234 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cncs3)C2)c1 72368379 JRLVMSSADPJVMC-CQSZACIVSA-N 316.426 3.383 0 40 DGAB Cc1cc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)no1 32610506 VIXJWAVZRABTLK-UHFFFAOYSA-N 308.403 3.390 0 40 DGAB Cc1nc2c(-c3ccccc3)c(C)nn2c(N2CCOCC2)c1C 72341692 NXZCREVSZLGIDO-UHFFFAOYSA-N 322.412 3.158 0 40 DGAB O=C(OCCCn1cccn1)c1cnc(-c2ccsc2)s1 79029154 LQRQTHOHGUSTBV-UHFFFAOYSA-N 319.411 3.315 0 40 DGAB Cc1ccc([C@@H]2[C@H](N)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 72227502 YLGCKJATDXAZLX-LSDHHAIUSA-N 320.314 3.429 0 40 DGAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCN(C)C)c1C 72341701 LHAFYHTVRLEGRS-UHFFFAOYSA-N 323.444 3.295 0 40 DGAB Cc1nn(C)c2c1[C@H](c1c(F)cccc1F)SCC(O)=N2 49543935 SFMQFWUETZBTTF-CYBMUJFWSA-N 309.341 3.431 0 40 DGAB Cc1occc(=O)c1OCC(=O)Nc1cccc2ccccc12 40287655 IWVPCHYWAJPVBJ-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB CCc1noc([C@@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 40714488 OBPRWDHQEBAKGS-RUMSDORHSA-N 311.385 3.399 0 40 DGAB COc1ccc(NC(=O)c2cc(OC)nn2-c2ccccc2)cc1 227162502 SAHOUFUTURGFCJ-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](CC)C(=O)NC(C)C 222602874 BEHMTDQIKPJSEA-HNNXBMFYSA-N 324.852 3.382 0 40 DGAB O=C(O)c1cnc(Cc2ccccc2)nc1NCc1ccccc1 49469845 CQFBQOZDSBQIDD-UHFFFAOYSA-N 319.364 3.378 0 40 DGAB Cc1cc(N2CCCC[C@@H]2C)nc(NC(=S)NC(C)(C)C)n1 225896092 HJDVJDLFOLMHLS-LBPRGKRZSA-N 321.494 3.249 0 40 DGAB Cc1ccc2c(c1)[C@@H](NCCc1nnc3ccccn13)[C@@H](C)C2 195553427 SQDCJONJRDZIAB-LIRRHRJNSA-N 306.413 3.103 0 40 DGAB COc1cc([C@H](C)N[C@H]2CCc3nc(C)cn3C2)ccc1F 96489375 AKAAWMPZMUVNBJ-JSGCOSHPSA-N 303.381 3.005 0 40 DGAB CCN(CC)c1nccn2nc(-c3cccc(F)c3)c(C=O)c12 96530810 HSZWOKOGJDINSN-UHFFFAOYSA-N 312.348 3.194 0 40 DGAB Cc1cc(C(=O)Oc2ccc(OCC(F)(F)F)cc2)on1 96442804 YLROAPINRNBRKA-UHFFFAOYSA-N 301.220 3.143 0 40 DGAB CCN(CC)c1ccc2ccc(C(=O)NCc3ccccn3)cn12 96146196 RVYHCXIAORMGCT-UHFFFAOYSA-N 322.412 3.111 0 40 DGAB CSCc1ccccc1NC(=O)NC[C@H]1CCC[C@@H](O)C1 97376604 IXCGGJBICISREG-GXTWGEPZSA-N 308.447 3.222 0 40 DGAB C[C@@H](SCCS(C)(=O)=O)c1ncc(-c2ccccc2)o1 96411553 ZIVZKGRNFCSTCK-LLVKDONJSA-N 311.428 3.180 0 40 DGAB Cc1cccc(OC2CCN(C(=O)Cc3cccs3)CC2)n1 96119503 MCOQPOPDHOCMRN-UHFFFAOYSA-N 316.426 3.064 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2cccc(C(F)(F)F)c2)n(C)n1 97513377 JXYSSGGTSRLXCH-JTQLQIEISA-N 311.307 3.238 0 40 DGAB COCc1nc(CNc2cnn(-c3ccccc3F)c2)cs1 92845207 RNMUKCUVDXEIHO-UHFFFAOYSA-N 318.377 3.226 0 40 DGAB O=C1[C@H](Sc2cccc(Cl)c2)CCN1C1CCOCC1 96447731 ANQOFSOEBWNQEO-CQSZACIVSA-N 311.834 3.212 0 40 DGAB CCOC(=O)C[C@](C)(NCc1nc(C)cs1)c1ccccc1 585081737 RRPNHPWBFDWPSC-KRWDZBQOSA-N 318.442 3.410 0 40 DGAB Cn1ncc(Cl)c1CN1Cc2ccccc2OC(C)(C)C1 585084641 AHXSDHLWDMUAPX-UHFFFAOYSA-N 305.809 3.247 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](Cc3ccnc4ccccc34)C2)no1 257226054 FIXRNSPSKDWNIU-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB O=C(C1CCCC1)N1CCC[C@@H]1c1cccc(-n2ccnc2)n1 257305169 SOSIATPNYNZBPA-MRXNPFEDSA-N 310.401 3.121 0 40 DGAB C[C@H](NCc1cccc2c1OC(F)(F)O2)c1ncccc1F 527827798 JOSNZKMAKCXFKN-VIFPVBQESA-N 310.275 3.393 0 40 DGAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(N(C)C)nc1 32209200 XOGSROVGAKQCNL-UHFFFAOYSA-N 309.822 3.135 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 585104482 JAYKSCOXUWJHAB-KRWDZBQOSA-N 319.445 3.103 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1 48909150 LCRKOZSGCNGBQX-HUUCEWRRSA-N 314.429 3.187 0 40 DGAB COCCCN(C)C(=O)c1cc2c(s1)-c1ccccc1OC2 58407728 HVQCQVFJLZDGBZ-UHFFFAOYSA-N 317.410 3.416 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 57002715 RRFFDOLHPWGTNS-DOPJRALCSA-N 310.397 3.014 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ncc[nH]2)N1c1ccc(F)cc1 69629031 PSSNSSANDTVXPQ-MRXNPFEDSA-N 308.316 3.320 0 40 DGAB Cn1c([C@H](NC(=O)N2CCC2)c2ccccc2)nc2ccccc21 69743056 XGZROXLEMMPIQT-QGZVFWFLSA-N 320.396 3.078 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@@H](C)NC[C@]1(O)CCSC1 96479012 LEMPSHJCHZIEQG-MEBBXXQBSA-N 314.520 3.268 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCC2CCCCC2)c1 11822705 STVVJNWRZJYEDJ-AWEZNQCLSA-N 303.402 3.237 0 40 DGAB Cc1ccc([C@@]2(O)CC[C@@H]3CN(C4CCCCC4)C[C@@H]32)nc1 12223243 GFKQUFPCFQIKBO-HHXXYDBFSA-N 300.446 3.252 0 40 DGAB Cc1cc2cc(CNc3ccc4c(c3)OCO4)c(=O)[nH]c2cc1C 12566080 GGJAYNTWQKWZSV-UHFFFAOYSA-N 322.364 3.486 0 40 DGAB Cc1nc(C(F)(F)F)cc(=NCc2c(F)cccc2F)[nH]1 1888879515 BSJHHXCWBOFVQX-UHFFFAOYSA-N 303.234 3.116 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C[C@@H]1C=CCC1 17966660 VXAUGEFALBVAEH-GFCCVEGCSA-N 306.793 3.093 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)Cc1coc2cc3c(cc12)CCC3 27156504 DPIKIHOEGMOITP-UHFFFAOYSA-N 323.396 3.453 0 40 DGAB Cc1cc(C)nc(N2CCC(c3cn4cccc4c(C)n3)CC2)n1 2037838618 RLMCDAQPNGHCEH-UHFFFAOYSA-N 321.428 3.434 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1Cl 100084171 UAVBADNMGQAKFD-NQWMYEDTSA-N 313.784 3.206 0 40 DGAB COc1cc(C=O)c(Br)cc1OCc1ccccn1 8702298 OOLRKXWJPFRSIU-UHFFFAOYSA-N 322.158 3.244 0 40 DGAB Cc1oc2cc(OCC(=O)O)ccc2c(=O)c1-c1ccccc1 11764770 GIUJWNPOOTZOJL-UHFFFAOYSA-N 310.305 3.232 0 40 DGAB biogenic O=C(C[C@H]1CCCO1)NCCc1ccc(Cl)cc1Cl 40107305 JTILEIPDCYJVKU-GFCCVEGCSA-N 302.201 3.221 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)NC(=O)c2cccs2)c1C 20400063 ANSAIQXCNISNCF-GFCCVEGCSA-N 302.399 3.122 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 96451424 BAKVSYRIUWYHGH-CVEARBPZSA-N 320.458 3.439 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCN([C@@H]2C[C@H]3CC[C@@H]2C3)CC1 4723263 CSQIPDRJAUDPME-JJRVBVJISA-N 318.848 3.286 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1cccnc1 4909374 PBGZZMGDRYOUGK-INIZCTEOSA-N 324.771 3.300 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 32922779 ANMCVRPQTIUKNQ-KRWDZBQOSA-N 310.353 3.217 0 40 DGAB CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 21897353 CPCFLZCBZMNZGM-HNNXBMFYSA-N 322.836 3.107 0 40 DGAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2ncccn2n1 2788344 KHNBNRQLEOGGGM-UHFFFAOYSA-N 307.140 3.288 0 40 DGAB Cc1cccc(-n2[nH]c3nccc(-c4ccc(O)cc4)c3c2=O)c1 10157173 AEKFPZFIRHQZNL-UHFFFAOYSA-N 317.348 3.395 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2cccc(C)c2)cc1 21929333 AMSOWRCRORAAMB-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 567095 RFAUUYABYPBVOY-UHFFFAOYSA-N 323.348 3.373 0 40 DGAB CN(Cc1ccc(F)cc1)C(=O)CCc1nc(C(C)(C)C)no1 41765401 DSCDPPXOXYWEME-UHFFFAOYSA-N 319.380 3.097 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccnc1-n1ccnc1C 47174562 UBMWVBOCAYOCBD-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB Cc1cnc(NC(=O)c2sc(-n3cccc3)nc2C)s1 12407459 BPAGLEGGIYXUBQ-UHFFFAOYSA-N 304.400 3.259 0 40 DGAB O=C(NC1CCCCC1)c1cccnc1OCC(F)(F)F 24481393 DKQHJWHCNIDPIA-UHFFFAOYSA-N 302.296 3.085 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)COc2ccccc2C)cc1F 55693868 HHPOUFYBDRPVPS-ZDUSSCGKSA-N 317.360 3.340 0 40 DGAB O[C@H](CCNc1ccc(OC(F)(F)F)cc1)C(F)(F)F 1390090 UBMJETPQCSGPTM-SECBINFHSA-N 303.202 3.310 0 40 DGAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CC[C@H](c2ccccc2)C1 106633184 SADBENMQUSDJBL-AZUAARDMSA-N 320.436 3.496 0 40 DGAB O=C1CC2(CCCCC2)C(=O)N1Cc1cc(-c2ccco2)on1 12599304 XOBQUSDESKNUEM-UHFFFAOYSA-N 314.341 3.144 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)CC[C@H]1CCCO1 56174876 XCZWTEFSFYKWDL-CYBMUJFWSA-N 318.417 3.113 0 40 DGAB O=C(NC1CCC(O)CC1)c1ncc(Cl)c(Cl)c1Cl 35100410 MXVUPDJRAZBUCS-UHFFFAOYSA-N 323.607 3.075 0 40 DGAB C[C@H]1CN([C@H](C)c2ccccn2)CCN1C(=O)OC(C)(C)C 100405712 WGIOAFJQUPMPKY-UONOGXRCSA-N 305.422 3.084 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccccc1 43964098 WBTWGVJQOLCEMD-HIFRSBDPSA-N 318.417 3.263 0 40 DGAB O=C(COC(=O)c1ccc(F)c(Cl)c1)NC1CCCCC1 51353993 AZLPXIRUOWWHAY-UHFFFAOYSA-N 313.756 3.085 0 40 DGAB C[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H](C)O1 36022461 CHAMQVFFISBGDR-OKILXGFUSA-N 300.402 3.126 0 40 DGAB O=C(Cn1cc(-c2ccccc2)cn1)N1CCc2sccc2C1 58246288 LNLWGVPZELSTFS-UHFFFAOYSA-N 323.421 3.197 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)c2cccnc2)c2ccccn2)cc1 71908755 AJKIWKMCTKKBMA-LJQANCHMSA-N 317.392 3.499 0 40 DGAB Cc1cc(C(N)=O)c(NC(=O)CCCc2cccs2)s1 71908520 ZYGAUEUKWGFHKD-UHFFFAOYSA-N 308.428 3.178 0 40 DGAB CN(C)C(=O)c1oc2ccccc2c1CSc1ncccn1 58403802 VTJRXZIZSFOTSP-UHFFFAOYSA-N 313.382 3.217 0 40 DGAB CCCCCOc1ccc(C(=O)N[C@@H](C(=O)O)C(C)C)cc1 2292243 HHFZQEVZQYBHAR-OAHLLOKOSA-N 307.390 3.095 0 40 DGAB O=C(CCc1cccs1)NC[C@@H]1CCN(c2ccccc2)C1 27827290 RIXFPGRKACIZSY-HNNXBMFYSA-N 314.454 3.323 0 40 DGAB O=C(NCCc1ccc(F)cc1)N1CCc2sccc2C1 12776959 IXNIURNTYDTENF-UHFFFAOYSA-N 304.390 3.198 0 40 DGAB O=C(CSc1ccccc1C(=O)O)Nc1cccc(F)c1 12759156 AGZRFNPLAGLVGA-UHFFFAOYSA-N 305.330 3.255 0 40 DGAB COc1ccc(CCC(=O)NCc2ccc(C)s2)cc1OC 48343892 QNQFZJQZCGHHNF-UHFFFAOYSA-N 319.426 3.323 0 40 DGAB Cc1cc(F)ccc1NC(=O)CCc1ccc2c(c1)OCCO2 12927635 CULNJNIXDPUJKR-UHFFFAOYSA-N 315.344 3.477 0 40 DGAB Cn1cnc2c(sc3nc(-c4ccco4)c4c(c32)CCC4)c1=O 13692210 HJMCDVOITLWHKD-UHFFFAOYSA-N 323.377 3.292 0 40 DGAB CNC(=O)c1ccc(-c2cccc(Br)c2)nc1C 8944929 UBJCFRHAFYSDKJ-UHFFFAOYSA-N 305.175 3.179 0 40 DGAB CCn1c(C)cc(C(=O)CSc2nnc3ccccn23)c1C 6114703 NUYQLEKAJBPRDV-UHFFFAOYSA-N 314.414 3.143 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(Oc2ccncc2)cc1 65377731 RRVNMIFFFIPLKI-LBPRGKRZSA-N 301.346 3.030 0 40 DGAB Cc1c(C(=O)Nc2nccs2)oc2c1C(=O)CC(C)(C)C2 5205383 MCHAOGWHZVZDTI-UHFFFAOYSA-N 304.371 3.452 0 40 DGAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)c(Cl)c1 65549915 IPEXURRRVAQPOO-BMIGLBTASA-N 306.768 3.356 0 40 DGAB C[C@H](OC(=O)c1ccc(CO)cc1)c1nnc(-c2ccccc2)o1 5317871 TYQSHJZJJKYYPQ-LBPRGKRZSA-N 324.336 3.147 0 40 DGAB CCn1cnn(CN2CCC[C@@H]2c2ccc(OC)cc2)c1=S 14184712 PTZQROXSTIKEBF-OAHLLOKOSA-N 318.446 3.237 0 40 DGAB COc1ccc(-c2nonc2NC(=O)/C=C/c2ccccc2)cc1 5482712 JGJYWOKEKJBXEF-KPKJPENVSA-N 321.336 3.397 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(Cl)s1 4901851 OERJDIANBBSOGT-UHFFFAOYSA-N 322.817 3.490 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2ccccc2Cl)cc1 7069476 LGAMWDKCWGGNKU-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)Nc2cnccc2C)no1 96000142 KFXGVKSRVXSAGA-CQSZACIVSA-N 315.377 3.231 0 40 DGAB CC(C)c1nc2c(n1C)CCN(c1cnc3ccccc3n1)C2 71880169 QHEZWGGCANLTBD-UHFFFAOYSA-N 307.401 3.049 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2cccc(Cl)c2)C1 67801126 XCTBVQRSGNTTDV-AWEZNQCLSA-N 310.825 3.439 0 40 DGAB Cc1noc(C)c1C(=O)OCc1cc(-c2cccs2)on1 7768376 QNBKGCUJABHBFB-UHFFFAOYSA-N 304.327 3.365 0 40 DGAB CC(=O)N1CCCN([C@@H](C)c2ccc(C(F)(F)F)cc2)CC1 69349368 OGKZMSVMFILYEB-LBPRGKRZSA-N 314.351 3.321 0 40 DGAB COc1ccc2cc(C(=O)NCCCOC(C)C)ccc2c1 8394074 JUJLFAUYDFHDLH-UHFFFAOYSA-N 301.386 3.393 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2C)C1 8424653 RZEUOQRICBBCDK-CHWSQXEVSA-N 317.458 3.170 0 40 DGAB CN(CCCOc1ccc(F)cc1)C(=O)/C=C/c1cscn1 69569592 GXQGKHAVFSAMJL-VMPITWQZSA-N 320.389 3.223 0 40 DGAB CC[C@H](C)c1csc(NC(=O)N[C@@H](C)c2cnn(C)c2)n1 84726946 WTEYOGFAUOLEHR-UWVGGRQHSA-N 307.423 3.273 0 40 DGAB O=[S@@](Cc1cccc(OC(F)F)c1)C[C@@H]1CCCCO1 95407411 WTHJBCXEJUNQIX-RNODOKPDSA-N 304.358 3.106 0 40 DGAB CCS[C@H]1CC[C@H](NC2CCN(c3nccs3)CC2)C1 95990243 AGGIHLVDXLJDQP-KBPBESRZSA-N 311.520 3.376 0 40 DGAB CCOc1cccc2cc([C@@H](C)NC[C@@]3(O)CCSC3)oc12 95987978 USNLNJRCEHFWJM-PXAZEXFGSA-N 321.442 3.350 0 40 DGAB C[C@H](CO)CS[C@H](C)C(=O)Nc1cc(Cl)ccc1F 74788156 SLDDLFUIGHKUSO-RKDXNWHRSA-N 305.802 3.168 0 40 DGAB Fc1ccc(Br)c2c1CC[C@@H]2NCCn1ccnc1 89693906 MNZDFXOZNPUTFE-ZDUSSCGKSA-N 324.197 3.062 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)Nc1nc2cc(F)ccc2n1C 75360644 ZCVHNKHCSQNTTC-OAHLLOKOSA-N 319.380 3.389 0 40 DGAB CC[C@@H](NC(=O)Cc1ccon1)c1ccccc1Br 89947901 SKZATPAESIYCTO-CYBMUJFWSA-N 323.190 3.247 0 40 DGAB COc1ccc(OC)c(/C=C2\SC(=O)N(C(C)C)C2=O)c1 409054223 IFTOBUBVPNUZMY-JYRVWZFOSA-N 307.371 3.149 0 40 DGAB CC(C)CNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832390 KTYVTJHAIHZVQH-HNNXBMFYSA-N 308.853 3.324 0 40 DGAB O=C(Nc1nn(Cc2ccccc2F)cc1Cl)C1CCC1 32610588 XTWRYPVIOVFBER-UHFFFAOYSA-N 307.756 3.463 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COc1ccc(CN)cc1 36720769 UMYMHKALAVHOMG-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB Cc1ccc(CN(CCCn2ccnc2)Cc2cccnc2)o1 36740244 FYZQDRRYKPVXSP-UHFFFAOYSA-N 310.401 3.272 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1Cc1ccc(O)cc1 72336907 KEOHZWWPDVPABT-PBHICJAKSA-N 320.396 3.005 0 40 DGAB COc1c(Cl)cc(NC(=O)NC[C@H]2CCOC2)cc1Cl 78394938 MTDXHUDCQUMKBN-MRVPVSSYSA-N 319.188 3.160 0 40 DGAB C[C@H]1C[C@H](CC(=O)N[C@@H](C)C(=O)N2CCCCC2)CC(C)(C)C1 78569108 HGWWFWDPESEGLQ-HRCADAONSA-N 322.493 3.356 0 40 DGAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 74654025 FWPJKPZERMQYKF-ARFHVFGLSA-N 316.449 3.268 0 40 DGAB Cn1ccc2c(C(=O)Nc3cccc(-c4nc[nH]n4)c3)cccc21 79483040 VCFSYMASTGMJKY-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB CCCCCNC(=O)C1CCN(Cc2ccccc2F)CC1 39768443 TWRHHTZVAPHROC-UHFFFAOYSA-N 306.425 3.344 0 40 DGAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cc2ccccc2o1 70966218 NEHYQAIMDRWFSQ-HXUWFJFHSA-N 321.376 3.460 0 40 DGAB CCN(C(=O)c1nccn2ccnc12)[C@H](C)c1ccc(F)cc1 72994134 LOJVOECLENUNEF-GFCCVEGCSA-N 312.348 3.092 0 40 DGAB CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2F)C1 72361688 COUXYENZKRZJDB-ZDUSSCGKSA-N 315.348 3.134 0 40 DGAB CC(C)n1cccc1[C@@H]1[C@H](c2ccccn2)NC(=S)N1C 222749004 UPTNKTAJSWSRIP-LSDHHAIUSA-N 300.431 3.066 0 40 DGAB CCOc1nn(C)c2ccc(NC(=O)c3cccs3)cc12 227164260 VJVNWMAVGIUPFO-UHFFFAOYSA-N 301.371 3.286 0 40 DGAB CCOC(=O)c1cnc2nc3ccccc3n2c1C(F)(F)F 47476105 DFQIBFXCFQGTBP-UHFFFAOYSA-N 309.247 3.078 0 40 DGAB COc1ccc(N(Cc2ccco2)C(=O)[C@H]2CCCO2)cc1F 96416787 HAYPQFYTCZSNAR-MRXNPFEDSA-N 319.332 3.140 0 40 DGAB Cc1ccc2c(c1)CN(C(=O)[C@@H](C)c1cnn(C)c1)C(C)(C)C2 578164202 ZBCRRBCXBVOAMV-AWEZNQCLSA-N 311.429 3.196 0 40 DGAB CC(=O)c1ccc(C(=O)OC[C@@H]2CC[C@H](C)O2)cc1 97370753 DBFLXMRLQMLZCK-AWEZNQCLSA-N 262.305 2.614 0 40 DGAB Cc1c(CSC(C)C)cccc1NC(=O)CCn1cncn1 96426582 VIRVDNFYNBFNHJ-UHFFFAOYSA-N 318.446 3.257 0 40 DGAB Cc1nnc(-c2ccc(C(=O)N(c3cccnc3)C(C)C)cc2)o1 96467379 XHDPDFPWAKCYEE-UHFFFAOYSA-N 322.368 3.495 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)s1 96047949 QQXSDPDMBXBJCL-MRXNPFEDSA-N 320.502 3.276 0 40 DGAB CCN(C)C[C@H]1CCN(Cc2cccc3c2OC(C)(C)C3)C1 93770228 ZZSYEVOHQYFTQX-OAHLLOKOSA-N 302.462 3.174 0 40 DGAB O=[S@@](c1ccc(Br)nc1Cl)C(F)(F)F 242592237 ONOQENFFDRPKQZ-AWEZNQCLSA-N 308.506 3.125 0 40 DGAB c1cncc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)c1 257249923 JKGLACITLSPLQA-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257319947 VUSHVTZXPQTKGF-DVQDXYAYSA-N 309.413 3.148 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4CCC(=O)C[C@@]43C)[C@@H]1CC[C@H]2O 257346054 PRCPAPQMRSUFRB-GBSJXCTESA-N 304.430 3.138 0 40 DGAB Cc1nc(C)c(CC(=O)N2CCC[C@H](c3nccs3)C2)s1 257259128 KWYVKZNMAHDRLE-LBPRGKRZSA-N 321.471 3.165 0 40 DGAB CC(C)C[C@H](NC(=O)[C@@H]1CO[C@H](C)C1)c1nc2ccccc2[nH]1 252553296 VJIOLNXBWILUGP-WWGRRREGSA-N 315.417 3.191 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3ncccc3c2)n1 257229907 FZYRXUFSJQDOBM-MRXNPFEDSA-N 306.369 3.244 0 40 DGAB C[C@@H](c1ccccn1)N(C)C(=O)[C@H]1CCC(=O)c2ccccc21 284088547 XCLZKHVBFBWZQF-BBRMVZONSA-N 308.381 3.361 0 40 DGAB O=C1CC[C@@]2(CCCN(CCc3ccccc3)CC2)N1CCF 585100631 QRZQGHYACNUBPA-LJQANCHMSA-N 318.436 3.046 0 40 DGAB Cn1cnnc1SCCOc1ccc(Cl)cc1Cl 47821068 GKZGZJZTGDXLOQ-UHFFFAOYSA-N 304.202 3.293 0 40 DGAB Cc1ccsc1C(=O)Nc1ccn(CCc2ccccn2)n1 51418217 UAHHLTREWRJQSB-UHFFFAOYSA-N 312.398 3.143 0 40 DGAB CC(C)(C)c1csc(CCNC(=O)CCc2ccco2)n1 71856425 XDNFBBZTWQDOSZ-UHFFFAOYSA-N 306.431 3.325 0 40 DGAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OCC(C)C 1012952 MJOBPOWCEAFQCH-RIYZIHGNSA-N 321.398 3.444 0 40 DGAB Cc1cc2nc(COc3ccc(Cl)cc3C)cc(=O)n2o1 13367456 WNVRPNLAACWDER-UHFFFAOYSA-N 304.733 3.137 0 40 DGAB CC(C)C(=O)N[C@@H](C)Cn1c(C(F)(F)F)cc2cccnc21 19086227 YHJRHINJCBUWKK-JTQLQIEISA-N 313.323 3.216 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)CCCC2 169680996 YXLHJRQJKUYGQR-HMSXXHTOSA-N 319.404 3.123 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(Cl)cc2)cc1 7218265 YKDHKQRTGGYEFU-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB O=C(C1CCCC1)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 252537465 LGRVARPQJAYRBC-MRXNPFEDSA-N 310.397 3.405 0 40 DGAB Cc1csc(C(=O)N2CCCN(C3CCSCC3)CC2)c1 575608520 TUFAGYDNKKJCDC-UHFFFAOYSA-N 324.515 3.100 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(C[C@H]3CCCCO3)C2)ccn1 1888842705 WJMWPAZTLACBKL-SJLPKXTDSA-N 304.434 3.050 0 40 DGAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccncc1 1565549877 HRWKYWFVLNVALM-SNRMKQJTSA-N 321.424 3.018 0 40 DGAB O=c1cc(-c2ccccc2)sc2nnc(Cc3ccccc3)n12 1432488 UMFVTQMCWINYFB-UHFFFAOYSA-N 319.389 3.409 0 40 DGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccc(Cl)cc1 4941209 NKRQNTUAZZQYSE-CQSZACIVSA-N 309.793 3.146 0 40 DGAB CCSc1nnc(NC(=O)Cn2ccc3ccccc32)s1 38490444 CUIIASDCBXAEMX-UHFFFAOYSA-N 318.427 3.244 0 40 DGAB O=C(N[C@H]1CCN(Cc2ccsc2)C1)c1ccc(F)c(F)c1 1014725460 OFFHCENUTJJEOM-ZDUSSCGKSA-N 322.380 3.031 0 40 DGAB COC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC 6849645 JMXOIDJMADPXNT-HFTRVMKXSA-N 319.401 3.130 0 40 DGAB biogenic O=C(CCc1cccc(F)c1)Nc1ccc(N2CCCC2)nc1 31633294 JWLYLDPAQMKPOF-UHFFFAOYSA-N 313.376 3.392 0 40 DGAB COCCCC(=O)Nc1ncc(Cc2cccc(OC)c2)s1 40548473 QTJSGFOGBMWOEA-UHFFFAOYSA-N 320.414 3.108 0 40 DGAB O=C(Nn1cnc2ccccc21)[C@H]1CCC[C@H](C(F)(F)F)C1 40553357 PJTWZGHIZLOKHT-QWRGUYRKSA-N 311.307 3.475 0 40 DGAB CC[C@H](C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 29255180 CDCMPIMZRWXCBV-HNNXBMFYSA-N 324.424 3.170 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1 7706168 OWRUSJRUIRYVAM-AWEZNQCLSA-N 306.369 3.101 0 40 DGAB CCOC(=O)C(C(=O)OCC)(c1ccccc1)C1CCCC1 1562282 WIGZGICZMKVTSH-UHFFFAOYSA-N 304.386 3.241 0 40 DGAB CN(Cc1ccc(F)c(F)c1)Cc1nc(-c2ccco2)no1 32760743 ROGOUMLKLPCEHW-UHFFFAOYSA-N 305.284 3.240 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2cccc(N(C)C)c2)cc1 3190609 XGUWDWGDKLNSAV-UHFFFAOYSA-N 313.426 3.188 0 40 DGAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@H]1C[C@H]2CC[C@H]1C2 102203844 GPRRUXLFACUMBA-PWNZVWSESA-N 311.381 3.348 0 40 DGAB Clc1ccc(-c2nsc(N3CCOCC3)n2)c(Cl)c1 7348589 KQJUESUEAGJTKI-UHFFFAOYSA-N 316.213 3.349 0 40 DGAB CCc1ccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1 76057821 MXTPKQDZTBAJJU-MAUKXSAKSA-N 302.462 3.232 0 40 DGAB Cc1noc(C)c1CC(=O)NCC12CC3CC(CC(C3)C1)C2 8394481 LNNJRWXABZNVSQ-UHFFFAOYSA-N 302.418 3.167 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)s1 9750129 FHVQWIFJLFZDIG-UHFFFAOYSA-N 300.383 3.201 0 40 DGAB O=C(c1ccco1)N1CCC(NCc2ccccc2Cl)CC1 42206537 RNJYJMOSVNERGI-UHFFFAOYSA-N 318.804 3.327 0 40 DGAB CSc1ccccc1C(=O)NC[C@H](c1ccccc1)N(C)C 16599116 IMTSQMKLESKDHZ-MRXNPFEDSA-N 314.454 3.441 0 40 DGAB CCOc1ccc(NC(=O)c2noc3c2C[C@H](C)CC3)cc1 20176856 OLTPDCPPIVXBLE-LLVKDONJSA-N 300.358 3.450 0 40 DGAB Cc1ccsc1CN(C)C(=O)c1cnc2onc(C)c2c1 42649252 GPSVZVWZHHCRGH-UHFFFAOYSA-N 301.371 3.173 0 40 DGAB COc1ccc([C@H](C)NC(=O)CCc2c(C)noc2C)cc1F 24313075 TXYLUMCGGILHQC-JTQLQIEISA-N 320.364 3.249 0 40 DGAB O=C(NCc1csc(Br)c1)Nc1ccccn1 47042510 GQOOCCGNYGLWJG-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB COc1ccc(C(=O)Oc2ccccc2-c2csnn2)cc1 1383125 NOQRKLLMGKZPBX-UHFFFAOYSA-N 312.350 3.433 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCCO2)cc1 106512629 ZLQQQSKRCUJXEJ-COXVUDFISA-N 318.417 3.109 0 40 DGAB CCOc1cccc(NC(=O)COc2cccc(OC)c2)c1 55767416 NGMSPVUWFBEYPB-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3cccc(Cl)c3)C(=O)[C@@H]2C1 100623946 GHTCTQKZYZCPNA-DDTOSNHZSA-N 306.793 3.131 0 40 DGAB O=C1COc2ccc(NC(=O)C3(c4ccccc4)CCC3)cc2N1 25539404 JFIVJWGEPXSGOS-UHFFFAOYSA-N 322.364 3.078 0 40 DGAB CCc1nn2c(=O)cc(CSc3ccccc3F)nc2s1 8186395 AWJSBSZYKMRDEU-UHFFFAOYSA-N 321.402 3.145 0 40 DGAB COc1ccccc1CNC(=O)COc1cc(C)cc(C)c1C 22905138 SOEOHWCYJOUXQW-UHFFFAOYSA-N 313.397 3.316 0 40 DGAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccco2)CC1 57776761 ZRYHHTKIDIXWDK-UHFFFAOYSA-N 319.307 3.293 0 40 DGAB O=C(CCSc1nccn1C1CC1)Nc1ccc(F)cc1 58195102 GWMULGQYJLSJBI-UHFFFAOYSA-N 305.378 3.478 0 40 DGAB O=C(Nc1cccc(F)c1F)c1cc(=O)c2ccccc2o1 58224223 SFRXHNGFIVBZSF-UHFFFAOYSA-N 301.248 3.324 0 40 DGAB C[C@@H](NC(=O)NCc1ccc(-c2ccn[nH]2)cc1)c1ccco1 44966707 FXHGPWFPAQHGMO-GFCCVEGCSA-N 310.357 3.230 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@H]2C1=O 408726835 CMIUHJOORKOJFX-UNXFNURESA-N 313.784 3.206 0 40 DGAB Cc1nnc2ccc(C(=O)Nc3ccc(C(F)(F)F)cc3)cn12 58442064 QODWGJDBVXBNLO-UHFFFAOYSA-N 320.274 3.309 0 40 DGAB Cc1ccc(NC(=O)NCc2ccccc2CO)c(Cl)c1 58402402 LLHBTYRGPYPBKF-UHFFFAOYSA-N 304.777 3.462 0 40 DGAB CN(C(=O)COC(=O)c1c(F)cccc1Cl)c1ccccc1 3248398 JVSZEVLVDSQMDU-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB O=C(Cn1ccnc1)NCc1ccc(-c2ccc(Cl)cc2)o1 10809715 GXQZLGPMMYHJLX-UHFFFAOYSA-N 315.760 3.113 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@H](C)c2ccco2)cc1 12790333 SJNOXZWIJPSMJW-GFCCVEGCSA-N 301.342 3.129 0 40 DGAB C[C@@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cl)cc1 12782605 FRXMHAUBYKBQHE-LLVKDONJSA-N 304.777 3.271 0 40 DGAB CCC[C@H](C)NC(=O)Nc1cc(C(=O)OC)c(F)cc1F 48325084 UWLHWCAXIYPWRB-QMMMGPOBSA-N 300.305 3.062 0 40 DGAB Cc1ccc(S(=O)(=O)N(Cc2ccc(F)cc2)C2CC2)cc1 12869399 HVLGIYGOCNBSBY-UHFFFAOYSA-N 319.401 3.487 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)Cc3ccccc3F)ccc12 3558506 SJNGVKDWBXCFIN-UHFFFAOYSA-N 311.312 3.422 0 40 DGAB CC[C@@H](C)[C@@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 69843317 WSSJZWMENZRKBB-NVXWUHKLSA-N 317.429 3.182 0 40 DGAB Cc1ccc2c(COC(=O)c3cccc(C)c3N)cc(=O)oc2c1 22179068 YUPWYFASMMETBI-UHFFFAOYSA-N 323.348 3.349 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)cn1 69628669 ZBCXDKHCNKZMEK-MRXNPFEDSA-N 312.348 3.018 0 40 DGAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)s2)cc1 14139632 MUXRGFUTSAGLAU-SOFGYWHQSA-N 306.774 3.152 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCC[C@H](n2cccn2)C1 65608081 JSWNYTJNOFWIPZ-KRWDZBQOSA-N 322.412 3.092 0 40 DGAB O=S(=O)(NCc1ccccc1F)c1ccc2ccccc2c1 14224904 DHLXIZWENDVALJ-UHFFFAOYSA-N 315.369 3.457 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)c2occc2C)cc1 8756756 XMZACFVJNUZTLJ-UHFFFAOYSA-N 300.358 3.322 0 40 DGAB O=C1NCCCC[C@@H]1SCc1coc(-c2ccccc2)n1 78555667 JSWRCPSABOJHKS-AWEZNQCLSA-N 302.399 3.244 0 40 DGAB Cc1ccn2cc(C(=O)N3CCC[C@H](C(F)(F)F)C3)nc2c1 9154730 KYMAJXPBBRUXMH-NSHDSACASA-N 311.307 3.057 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)c1ccc2ccccc2c1 9113786 OHAXCNWPJOBGBQ-KDOFPFPSSA-N 324.424 3.265 0 40 DGAB Cc1nc(CNc2cnc3cc(Cl)c(Cl)cc3n2)no1 97082508 BJHBCIIOFBDWRP-UHFFFAOYSA-N 310.144 3.240 0 40 DGAB Cc1ccc(-n2cnnc2S[C@H]2C[C@@H](C)OC2=O)cc1Cl 9365673 WTBIVZMEUICLPP-SKDRFNHKSA-N 323.805 3.025 0 40 DGAB O=C(Nc1cc(-c2ccccc2)no1)[C@@H]1COc2ccccc2O1 9306226 ZYOGVYXIWVXJBN-INIZCTEOSA-N 322.320 3.120 0 40 DGAB COc1ccccc1CNC(=O)COc1cccc2c1CCC=C2 9366026 DGFJKZNUEHZSGF-UHFFFAOYSA-N 323.392 3.350 0 40 DGAB Cc1ncsc1CNc1nnc([C@@H]2Cc3ccccc3O2)o1 97045481 RUWLEJNSIQVHSA-LBPRGKRZSA-N 314.370 3.123 0 40 DGAB Clc1ccc([C@@H](CNCc2ccncc2)n2cccn2)cc1 83476233 NCVXILCLRIFDPY-QGZVFWFLSA-N 312.804 3.311 0 40 DGAB CNC(=O)c1cccc(NC(=O)CCc2c[nH]c3ccccc23)c1 9498475 XFTKJIGNEIXOFT-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc(Cl)o1 72234047 RBHMXTMNBXQPLP-NSHDSACASA-N 307.781 3.261 0 40 DGAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccccn1 96417259 GGGRZEQAWFUKSM-CYBMUJFWSA-N 315.348 3.064 0 40 DGAB Cc1ncc(CNS(=O)(=O)c2cccc3ccccc23)s1 96459968 VDCWFVJBPKMFRC-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB C[C@@H](C[C@@H](O)c1cccs1)NCc1cccc2cn[nH]c12 97230188 ULSPIENDXISLGZ-SMDDNHRTSA-N 301.415 3.226 0 40 DGAB O[C@H]1[C@H]2CN[C@@H]2C[C@@H]1N1CC1 97371527 WQLXVPHXJSIYCC-NSHDSACASA-N 154.213 -0.977 0 40 DGAB CCN(Cc1ccoc1)Cc1nnc(-c2ccc(F)cc2)o1 72599468 BCFHHAYHPDMKAD-UHFFFAOYSA-N 301.321 3.491 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@H]1C[C@H](O)c1ccco1 84553141 CRENNGCUHUJRJR-GJZGRUSLSA-N 300.358 3.400 0 40 DGAB C[C@H](Oc1ccc(-n2cnnn2)cc1)c1ncc(C(C)(C)C)o1 84667919 WCOHRIZHVBGMSI-NSHDSACASA-N 313.361 3.088 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cl)[C@@H](O)Cc1ccccc1 95431411 WJLYGVSJSBVJQQ-WBMJQRKESA-N 303.789 3.062 0 40 DGAB CC[C@H](C)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)on1 95401288 AWODHISTUSTYMZ-WFASDCNBSA-N 318.421 3.229 0 40 DGAB COC(C)(C)c1noc(-c2cnn(CC(C)C)c2C(F)F)n1 95443083 USOYWEVWNZISNC-UHFFFAOYSA-N 314.336 3.408 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)N1CCOC2(CCC2)C1 95451654 TVMUATUVDGIWSO-CQSZACIVSA-N 318.417 3.029 0 40 DGAB Cc1noc(C)c1[C@H](C)CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95995133 YMEWGJYFJJDKOT-MFKMUULPSA-N 323.437 3.040 0 40 DGAB CCc1cc(CNC(=O)N2CCSC3(CCCCC3)C2)on1 89282951 GNGMQNFBSZPHMT-UHFFFAOYSA-N 323.462 3.198 0 40 DGAB Cc1ccc(CN2CCC(CNC(=O)N(C)C(C)C)CC2)cc1 86395000 PTHLHFOWBCSOSV-UHFFFAOYSA-N 317.477 3.257 0 40 DGAB CCc1ccccc1NC(=N)c1cnn(-c2ccccc2)c1N 20799532 OPRCSIVMZOSNIL-UHFFFAOYSA-N 305.385 3.454 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc([C@H]2CCCCN2C=O)cn1 72214351 CQVKMJZDBDHWSM-CYBMUJFWSA-N 305.378 3.112 0 40 DGAB Cc1ccc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 39954099 HRVHMZINXPJVOY-CQSZACIVSA-N 306.406 3.416 0 40 DGAB O=C(OCCn1cccn1)c1ncoc1-c1ccccc1Cl 76876770 XMEYOQRCTHQBGD-UHFFFAOYSA-N 317.732 3.049 0 40 DGAB CC(C)(C)OC(=O)Nc1ncccc1[C@H]1CCCCN1C=O 72214411 MYJBSYWDNZLKHG-CYBMUJFWSA-N 305.378 3.112 0 40 DGAB CCCNC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 225776035 YBBYFLACJNMZHJ-UHFFFAOYSA-N 316.405 3.243 0 40 DGAB Cc1ccnc(NC(=S)N[C@@H](C)COc2ccccc2C)c1 225638679 WJWRZJHFTBQIPX-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 42161861 HXIPQTIRBHIGSZ-UGSOOPFHSA-N 311.381 3.266 0 40 DGAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cccc(Cl)c1O2 225827978 XKXVWYDGFREHCK-UHFFFAOYSA-N 323.776 3.296 0 40 DGAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 44818471 SBJLJTMQOZUEFF-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB COC(=O)c1cc2c(C(F)(F)F)cc(C(F)(F)F)nc2[nH]1 44029932 UUATXEKVWVJEDM-UHFFFAOYSA-N 312.169 3.387 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccsc2)N2CCC2)c(C)o1 225593301 REAZKHPGWVFJBJ-HNNXBMFYSA-N 304.415 3.135 0 40 DGAB COC(=O)COc1cccc(NC(=O)c2cc(C)c(C)s2)c1 40082738 VLDNXYPHNNTFIF-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB CSCC[C@@H](C(=O)Nc1ccc(Cl)cn1)n1cccc1 575444479 GAPUIHHOLYCYMD-LBPRGKRZSA-N 309.822 3.469 0 40 DGAB CN(C(=O)c1nccn2ccnc12)[C@H](c1ccc(F)cc1)C1CC1 96444779 UDOHUENEURSGFO-INIZCTEOSA-N 324.359 3.092 0 40 DGAB O=C(O)CO[C@@H](c1ccc(Br)cc1)C(F)(F)F 95096413 HFLWTUKHWSRPPT-VIFPVBQESA-N 313.069 3.154 0 40 DGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1ccnn1C 96436032 XZOBZWDBTIHXMY-CQSZACIVSA-N 314.433 3.115 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)cc2c1OCC2 97379678 VCLYHWYAYOFRPW-UHFFFAOYSA-N 306.749 3.061 0 40 DGAB C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@H]2OCCc3ccccc32)O1 95404192 OJWQLUGFFODLKU-UWWQBHOKSA-N 317.429 3.107 0 40 DGAB Cc1ccc(F)c(CN2CC[C@](C(=O)O)(c3ccccc3)C2)c1 578137740 UVQDJRHIYPDVPL-LJQANCHMSA-N 313.372 3.362 0 40 DGAB Cc1cc(C)c(CCNC(=O)[C@H](C)C2CCOCC2)c(C)c1 96484839 XCCZKMLLQOANJI-MRXNPFEDSA-N 303.446 3.333 0 40 DGAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 96446739 JYMQWVWRNAVEDX-KBXCAEBGSA-N 310.397 3.495 0 40 DGAB CCn1cc(C2CCN(c3ncnc4sccc34)CC2)cn1 97202460 OCIZNUFASVTUPN-UHFFFAOYSA-N 313.430 3.292 0 40 DGAB Cc1cccc(C(C)(C)CNC(=O)c2nc(C)ncc2Cl)c1 97594412 XTEPZXCICLHUPG-UHFFFAOYSA-N 317.820 3.454 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251225271 OKLADSGWKVVMSH-PYTWLRIVSA-N 303.402 3.157 0 40 DGAB CCNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCOCC1 257305802 SRPGQGFXRTVXEC-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2)OC)c1 96389767 KOWCKUKVBFELDS-DXRVJIQQSA-N 311.381 3.212 0 40 DGAB CCn1nc(C)c(CNC(=O)N[C@@H](C)c2ccc(F)cc2)c1C 67015820 PHEYBIVEHAOZHZ-NSHDSACASA-N 318.396 3.219 0 40 DGAB Cc1cc(NC(=O)CSc2nc(C)c(C)n2CC(C)C)no1 5262862 QWCMMSYXJRFEBU-UHFFFAOYSA-N 322.434 3.183 0 40 DGAB CCOC(=O)[C@H]1Nc2ccc(O)cc2[C@H]2c3ccccc3C[C@@H]12 5499726 VKIFYMRBLHCVQC-NXHRZFHOSA-N 309.365 3.054 0 40 DGAB Cc1ccc(F)c(NC(=O)COC(=O)c2ccccc2F)c1 5962209 VKPUDLHZUVFSIC-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCc1nn2c(O)c3c(nc2c1-c1ccc(OC)cc1)CCC3 12115664 ASUYVHHPEBXYSI-UHFFFAOYSA-N 309.369 3.162 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)ccc1C 13710378 XDSFCFNUCGBXGK-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NCCOc2cccnc2)cc1 169042186 UMOIHDULERYXEF-HNNXBMFYSA-N 322.412 3.305 0 40 DGAB COc1cccc(O[C@H](C)CNC(=O)N2[C@@H](C)CC[C@@H]2C)c1 152329852 WAZUFTDDIZYDPB-MELADBBJSA-N 306.406 3.045 0 40 DGAB O=C(O)c1cccc(OCCCN2CCc3ccccc3C2)c1 8731587 NYQWIAGZNMGMGV-UHFFFAOYSA-N 311.381 3.212 0 40 DGAB C[C@H]1CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C[C@@H](C)O1 19497529 KQZPATQNVMNTKR-ZENOOKHLSA-N 315.417 3.024 0 40 DGAB O[C@H](CN[C@H]1CCCc2ccccc21)COCc1cccs1 6936610 ILAGAXNGVKOPJC-QAPCUYQASA-N 317.454 3.293 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCc2[nH]c3ccccc3c2C1 9901923 PLKYQILMXYAUIT-UHFFFAOYSA-N 323.396 3.290 0 40 DGAB CCCc1nnc(NC(=O)CCC(=O)c2ccccc2)s1 26831400 JDITXMNRMQHWPI-UHFFFAOYSA-N 303.387 3.092 0 40 DGAB O=C(C1CCCCC1)N1CCN=C1SCc1cccnc1 4061120 JTGNBOHYIOPVNY-UHFFFAOYSA-N 303.431 3.093 0 40 DGAB Cc1cc(NC(=O)COc2ccccc2)ccc1N1CCCC1=O 5439960 MXAHJGINAKAENW-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1cncc(-c2ccco2)c1 575414534 WAYGHVJBOBXSCL-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB C[C@H](Cc1ccoc1)NC(=O)c1cc(Br)cs1 206718481 RGNBHAUIMJQAFX-MRVPVSSYSA-N 314.204 3.465 0 40 DGAB CCOc1ccccc1Cn1c(S)nc2ccccc2c1=O 100090455 QBPIJHGQJVEKNO-UHFFFAOYSA-N 312.394 3.132 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c(C)c1 100736907 QBBAWFDMPDVLTB-FPCVCCKLSA-N 307.393 3.313 0 40 DGAB Cc1ccc(/C=C/c2nc(S[C@@H]3CCCCC3=O)n[nH]2)o1 31801964 DOPUIOGAEMHFNT-MMQHEFTJSA-N 303.387 3.480 0 40 DGAB O=C(Nc1sc2c(c1C(=O)O)CCC2)c1ccc(F)cc1 349870 FSAQWXZVBNUNSU-UHFFFAOYSA-N 305.330 3.326 0 40 DGAB CN(C)c1ccc(NS(=O)(=O)c2cccc(Cl)c2)cc1 3371301 QVMKPUKWXFLZJO-UHFFFAOYSA-N 310.806 3.207 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C 3425760 FPGIVADXYMTEMP-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB C[C@]12C[C@H](NC(=O)N1c1cccc(C(=O)O)c1)c1ccccc1O2 4313280 VCKXLTWFHBRJCE-KSSFIOAISA-N 324.336 3.154 0 40 DGAB CCCCC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 6308508 PTMQSSYNORDKHB-UHFFFAOYSA-N 319.430 3.262 0 40 DGAB O=C(c1cccnc1S)N1CCc2[nH]c3ccccc3c2C1 37133478 JOWXAWFZDWHMGY-UHFFFAOYSA-N 309.394 3.050 0 40 DGAB O=C(Cn1ccc2ccc(Cl)cc21)NCCc1ccccn1 52980162 BDXMGEGPDYNODH-UHFFFAOYSA-N 313.788 3.049 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 528093 FJFKHXSUEFNERA-CVEARBPZSA-N 323.375 3.454 0 40 DGAB Cc1ccc2oc(-c3ccc4c(c3)OCCO4)c(O)c(=O)c2c1 518927 BEELXTYKASQKDP-UHFFFAOYSA-N 310.305 3.245 0 40 DGAB biogenic CC(C)COC(=O)Nc1cccc(NC(=O)NCC2CC2)c1 69451521 XQPOAPDBHJLKEW-UHFFFAOYSA-N 305.378 3.423 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)Nc1ccc2c(c1)OCO2 47318862 HXQJJUAAEGDZOU-UHFFFAOYSA-N 316.361 3.454 0 40 DGAB CCOc1ccccc1NC(=O)C(=O)Nc1cc(C)cc(C)c1 9911033 UGUNBQAAKRHHAP-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103769137 MRDDKGSOAPBVGT-LPWJVIDDSA-N 311.376 3.070 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)[C@H]1CCCO1 27995935 FYYSDPYSVZAZKR-QGZVFWFLSA-N 303.446 3.439 0 40 DGAB CCCNC(=O)C1CCN(c2nc3ccccc3s2)CC1 24973540 BTIIRQRFTLXWGW-UHFFFAOYSA-N 303.431 3.039 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101276608 OZTMETXJJXSDPI-INIZCTEOSA-N 312.344 3.132 0 40 DGAB CCSCc1ccc(C(=O)NC2CCN(C3CC3)CC2)cc1 55751770 PKGNIVLZFSXJPJ-UHFFFAOYSA-N 318.486 3.296 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1F 26155955 AOXBMWKKNYMWMK-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB Cc1noc(-c2cccnc2NC[C@H]2CCO[C@@H]2C(C)(C)C)n1 78266560 QTFWODSTEFCYPV-OCCSQVGLSA-N 316.405 3.303 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2)[C@H]1C(=O)O 35571149 RJSXGIUXOYNBAE-KGLIPLIRSA-N 305.374 3.254 0 40 DGAB CCOC(=O)c1ccc(Nc2oc(C)cc(=O)c2C(C)=O)cc1 27027959 YSVLUIALXDPYHN-UHFFFAOYSA-N 315.325 3.071 0 40 DGAB CCN(Cc1cccc(C)c1)Cn1nc(C(C)(C)C)ccc1=O 66792568 YFBRLJMJJOQLGS-UHFFFAOYSA-N 313.445 3.329 0 40 DGAB NC(=O)NCc1ccc(C(=O)OC2CCCCCCC2)cc1 58419776 FCJUPXLZOUNJTB-UHFFFAOYSA-N 304.390 3.125 0 40 DGAB CC(=O)Nc1cccc(C(=O)Nc2cccc3ncccc23)c1 3357281 OVLSWSFLOJLMGD-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB COc1ccc(CC(=O)N2CCCc3cc(OC)ccc32)cc1 10541935 FXJLRAVMQVPSSD-UHFFFAOYSA-N 311.381 3.226 0 40 DGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2cccnc12 2465269 WUCZJWOHLQHBKD-ZDUSSCGKSA-N 324.405 3.375 0 40 DGAB Clc1cc(CN2CCc3cncnc3C2)c2ncccc2c1 69565090 ZPZCANZOCBTKTJ-UHFFFAOYSA-N 310.788 3.237 0 40 DGAB COc1cc(C)c(S(=O)(=O)Cc2ccccc2F)cc1OC 69885176 ZXBAHRCKUIIBCU-UHFFFAOYSA-N 324.373 3.125 0 40 DGAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccc(F)cc1 6085584 KSFHRYWINZGXNS-AHAUYKDXSA-N 313.328 3.445 0 40 DGAB CCOc1cccc2c1OCC(=O)N(c1ccc(F)cc1)C2 65184502 PWHPGPXNZXOSHV-UHFFFAOYSA-N 301.317 3.150 0 40 DGAB CCCC(=O)Nc1cccc(NC(=O)NCC[C@@H]2CCCO2)c1 65563942 IRWGCUORPNJYSI-HNNXBMFYSA-N 319.405 3.116 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccc(Cl)c(F)c2)Cc2ccccc21 4540111 ACGLRZSGAGQEEU-CQSZACIVSA-N 319.719 3.199 0 40 DGAB Cc1ccccc1CN(C)S(=O)(=O)c1cccc(Cl)c1 6627494 AMEUHZQLUCMVRU-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 5778935 ROVALPSNDIQLTR-GFCCVEGCSA-N 319.430 3.360 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1 6898632 MKHNGRNCEWTQTR-FMIVXFBMSA-N 311.337 3.134 0 40 DGAB O=C(CCc1ccsc1)Nc1ccc(N2CCOCC2)cc1 6822068 UTMPHCGKNRSODL-UHFFFAOYSA-N 316.426 3.156 0 40 DGAB C[C@@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl 7305097 UEJOMMZXWADANV-SECBINFHSA-N 301.820 3.441 0 40 DGAB CC(C)(C)OC(=O)N1CCCC2(CCCCNC2=O)CCC1 91303025 QNRJTNMFDQZFFC-UHFFFAOYSA-N 310.438 3.084 0 40 DGAB in-vitro Cc1cc(C(=O)N2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C)o1 72232242 PKBHDWBYFXZHTC-CYBMUJFWSA-N 317.389 3.423 0 40 DGAB O=C(C[C@H]1CCOc2ccccc21)NCC1CCSCC1 95398257 PQCCJTBRTQFOBE-CQSZACIVSA-N 305.443 3.202 0 40 DGAB C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 95434465 YDCJZDFZTBLDAX-IAQYHMDHSA-N 314.410 3.471 0 40 DGAB O=C(CCC1CCCC1)OCc1nc(-c2cccnc2)no1 73275293 UISNZDRAYMBFNL-UHFFFAOYSA-N 301.346 3.145 0 40 DGAB Cc1cc(C)n(-c2ccc(CCN[C@@H](C)c3cnccn3)cc2)n1 95967308 UHAVRUVMICTWHA-INIZCTEOSA-N 321.428 3.172 0 40 DGAB C[C@H](C[C@@H](O)c1cccs1)NCc1ccc2c(c1)OCCO2 95978233 OQRDSJMNVSSMHR-TZMCWYRMSA-N 319.426 3.121 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)N(C)CCc1ccc(F)cc1 95939005 OHARULNACGIXQI-ZNMIVQPWSA-N 306.425 3.088 0 40 DGAB COc1cc(C(C)=O)ccc1OC(=O)[C@@H]1C[C@H]1c1ccco1 89292127 LSYAZTFGZMIJGI-CHWSQXEVSA-N 300.310 3.200 0 40 DGAB Cc1ccc(C(=O)N(Cc2ccc(C)s2)C(C)C)c(=O)[nH]1 75123064 HTBKIIQGAPVARV-UHFFFAOYSA-N 304.415 3.104 0 40 DGAB Cc1nnc2ccc(N[C@H]3CC4(CCC4)Oc4ccccc43)nn12 89740956 YKLGOHWFTAHMNR-AWEZNQCLSA-N 321.384 3.291 0 40 DGAB C[C@H](CNC(=O)C1(Cc2ccccc2)CCC1)Cn1ccnc1 89900577 CVCOWZWRDYCFQH-MRXNPFEDSA-N 311.429 3.048 0 40 DGAB COC[C@@H](C)NC(=S)Nc1cccc(-c2csc(C)n2)c1 23103093 KVDGKTQXULRJBG-SNVBAGLBSA-N 321.471 3.440 0 40 DGAB C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2O1)c1cccs1 28405230 MMCASJCFNKXJHF-DGCLKSJQSA-N 302.399 3.112 0 40 DGAB CCCCNC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63888135 OJLMLSDVXDASGG-UHFFFAOYSA-N 302.374 3.199 0 40 DGAB CCC[C@@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)OCC 33653228 MUZGLAQIAYQIJQ-AWEZNQCLSA-N 318.442 3.387 0 40 DGAB O=C(N[C@@H]1CCCN(CCCC2CCC2)C1)c1ccccc1 1006612752 GEWBWHWYGFFVQP-GOSISDBHSA-N 300.446 3.461 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(C[S@](C)=O)c1 79360885 PWAAZJPKSJFXMX-OAQYLSRUSA-N 301.411 3.055 0 40 DGAB O=C(c1ccncc1)N1CC[C@H](Cc2cncc3ccccc23)C1 72368269 KGMWEGDNZPLFHU-OAHLLOKOSA-N 317.392 3.335 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccccc1Cl 72227971 CCUIYCTZMBUXPJ-KBPBESRZSA-N 307.180 3.409 0 40 DGAB CS[C@H](C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 78775008 OHVMDGFKGTVVCM-SECBINFHSA-N 313.423 3.398 0 40 DGAB COc1ccccc1O[C@@H](Cc1ccccc1Cl)C(=O)O 225056574 ANZINJFLMYYPDX-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2ccc(F)cc2)c1C 223966465 MAQCPFNKOPGKHQ-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCCOc1ccc(NC(=O)[C@@](C)(CC)OC)cc1C(=O)OC 225790223 FUDFZSOKJONHBJ-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(C(C)C)cc1 42646498 NQGNLPMWVTYWEN-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB O=C(c1nc2ccccc2s1)N1CC(COc2ccccc2)C1 225560250 TVDIMWRLFCMFMW-UHFFFAOYSA-N 324.405 3.447 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)CC1(N)CCC1 225487754 NSQRDCDHYBZTRK-UHFFFAOYSA-N 314.401 3.231 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@H](C)CC 225244984 QZAUTVJBWVDLCU-ZIAGYGMSSA-N 322.424 3.258 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1ccccc1 97074604 HSYNXCKKUUUCSO-INIZCTEOSA-N 301.361 3.342 0 40 DGAB CO[C@@]1(C)C[C@@H](N(C)Cc2nccn2CC(F)(F)F)C1(C)C 96443601 WMBWVLLQXSLEGD-RISCZKNCSA-N 319.371 3.081 0 40 DGAB c1coc(CN2CCc3ncnc(-c4ccsc4)c3CC2)c1 96255334 XPNFICUKOIWSQD-UHFFFAOYSA-N 311.410 3.399 0 40 DGAB C[C@](Cl)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96520328 BODDZXVFWWOILP-VHSXEESVSA-N 317.621 3.026 0 40 DGAB CO[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]2c2ccc(C)o2)C12CCC2 584158414 VOXKZJJSJOXSPO-VNQPRFMTSA-N 318.417 3.392 0 40 DGAB Cc1nccc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257269179 MOWYAOYLYCJREG-IBGZPJMESA-N 321.424 3.180 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)c2cc(C)ccc2C)cc1 96103039 WEVONQBMHVFKPA-QGZVFWFLSA-N 315.438 3.489 0 40 DGAB Cc1ccccc1O[C@@H]1CCC[C@H](NCCCOC(C)C)[C@H]1O 585290622 YQIPHERZNQQMML-QXAKKESOSA-N 321.461 3.061 0 40 DGAB O=C(NCc1ccccc1CO)Nc1ccc(OC(F)F)cc1 58343706 CWNFYITYRHEFIG-UHFFFAOYSA-N 322.311 3.102 0 40 DGAB CCn1nc(C)cc1C(=O)O[C@H](c1cccnc1)C(F)(F)F 71886122 ONYSKQMABAWABP-GFCCVEGCSA-N 313.279 3.067 0 40 DGAB OC1(Cc2cc(Br)ccc2Cl)CCOCC1 1776010733 LECXWEMELCRRSU-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB CCCc1nc2cc(NC(=O)c3cnc(C)nc3C)ccc2n1C 12147383 PKMXTCNFZPQIAN-UHFFFAOYSA-N 323.400 3.185 0 40 DGAB COc1ccccc1-n1cnnc1SCc1c(C)noc1C 12607581 SBNRVJWCCAXZSS-UHFFFAOYSA-N 316.386 3.173 0 40 DGAB CC(=O)c1cccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)c1 13252506 LKQUXGQLZDQDJG-MRXNPFEDSA-N 311.337 3.086 0 40 DGAB O=C(CNC(=O)c1ccccc1)Nc1ccccc1C(F)(F)F 14153079 NJXOSKBNYWEEPB-UHFFFAOYSA-N 322.286 3.074 0 40 DGAB Cc1cc2nccc([C@H]3CC[C@H](CNC(=O)C(C)C)CC3)n2n1 257312501 UOGIXCIPNQZAAS-SHTZXODSSA-N 314.433 3.084 0 40 DGAB Cc1cncc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1888834019 NMCGHLCMARXBKP-STQMWFEESA-N 303.797 3.007 0 40 DGAB O=C(Cc1ccsc1)NCC(c1ccco1)c1ccco1 1888930547 YLPVBYBTGDVIDR-UHFFFAOYSA-N 301.367 3.425 0 40 DGAB Cc1cc(Nc2nccs2)nc([C@H]2CCN(C(C)C)C2)n1 2037836334 ZZZYIARYRROMPD-LBPRGKRZSA-N 303.435 3.183 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 69577 UUVBXPLDTFUHNK-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB c1ccc2oc(N3CCC(Oc4nccs4)CC3)nc2c1 2086889425 WNVHCUJWYNLSBM-UHFFFAOYSA-N 301.371 3.332 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCC[C@H](Oc2ccncc2)C1 575613726 SNRKJVBLJFKEKV-AWEZNQCLSA-N 318.323 3.043 0 40 DGAB CC(C)OC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 36096830 NYSLKVSRLFZZOI-HXUWFJFHSA-N 313.441 3.475 0 40 DGAB O=C(CCSc1ccccc1)NCC[C@H](O)c1cccs1 77113858 DYPRYOKKPMMJTD-AWEZNQCLSA-N 321.467 3.470 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C[C@H](O)COCc1ccco1 40007539 LEUHXAYTWNNPRS-XJKSGUPXSA-N 321.442 3.228 0 40 DGAB Cc1ccn2c(=O)cc(COc3ccc(F)cc3Cl)nc2c1 40159304 PVCLWBGQIIWWIG-UHFFFAOYSA-N 318.735 3.374 0 40 DGAB CCOc1ncccc1CNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C 31325374 DTMBXSZRNQNPJF-CABCVRRESA-N 302.418 3.335 0 40 DGAB COc1ccc([C@H]2C=C(c3ccc(C)cc3)N=C3N=CNN32)cc1 100583867 PAAJVDGBQRSGBE-GOSISDBHSA-N 318.380 3.304 0 40 DGAB COC(=O)c1ccc(NCC(=O)c2ccc(Cl)cc2)cc1 191462 HVVGEYBNLGRKRY-UHFFFAOYSA-N 303.745 3.421 0 40 DGAB COc1ccc(-c2cc(=O)n(-c3ccccc3)c(S)n2)cc1 388797 JQNPHMYWNKPBJB-UHFFFAOYSA-N 310.378 3.197 0 40 DGAB Cc1cc(C)cc(OCCC(=O)N(C)Cc2ccc(O)cc2)c1 75572683 KIUNZQDQVIHXGD-UHFFFAOYSA-N 313.397 3.437 0 40 DGAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1 2653285 AAFKBDRKIZNVOI-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB O=C(COc1cccc(Cl)c1Cl)NCc1ccco1 2633160 QAMRGZQEMYOGLY-UHFFFAOYSA-N 300.141 3.282 0 40 DGAB COc1cc(-c2nc3[nH]cnn3c2Nc2ccccc2)ccc1O 3910002 GTGBZYZGKAUGLH-UHFFFAOYSA-N 321.340 3.182 0 40 DGAB CC(C)OCCCNC(=O)COc1ccc(Cl)cc1Cl 6344910 IGFRWYXZIJFCMC-UHFFFAOYSA-N 320.216 3.304 0 40 DGAB COc1ccc(C2=N/C(=C\c3cccc(C)c3)C(=O)O2)cc1OC 7973626 XCTVWJKUOMQEGN-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB CC(=O)c1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 522199 HQNQBENJKGULQA-UHFFFAOYSA-N 311.337 3.109 0 40 DGAB C[C@@]1(N2CCCCC2)COc2ccc(Br)cc2C1=O 55125039 QHQAAOAANBXJTC-OAHLLOKOSA-N 324.218 3.269 0 40 DGAB O=C(NC1CCCC1)c1ccc(C(=O)NC2CCCC2)s1 47056934 BYKSTJQDLANUDM-UHFFFAOYSA-N 306.431 3.093 0 40 DGAB Cc1cc(NC(=O)c2ccc(NC(=O)c3ccccc3)cc2)[nH]n1 47555211 ILHANSXOKHKENZ-UHFFFAOYSA-N 320.352 3.223 0 40 DGAB COc1cc(NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 104751086 RBEILHYNLUACHI-AVGNSLFASA-N 319.401 3.477 0 40 DGAB CC(C)C(=O)N1CCC(C(=O)Nc2ccc(Cl)cc2)CC1 24257117 ODVNNNNTAGGWGM-UHFFFAOYSA-N 308.809 3.173 0 40 DGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccncc1 12531074 ADANWFFCBHMFPN-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB CN1C(=O)C2(CCN(Cc3cccs3)CC2)c2ccccc21 104998212 QNQQVYDEAKICPW-UHFFFAOYSA-N 312.438 3.258 0 40 DGAB Cc1ccc(O)c(C(=O)NCCSCc2ccccc2)c1 24924254 CTAIOUPNAMOTFU-UHFFFAOYSA-N 301.411 3.364 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CC[C@H](N2CCCCC2)C1 76996050 SIORFLHCFVOGBN-WDSOQIARSA-N 312.457 3.185 0 40 DGAB O=S1(=O)CCC[C@@H]1CN[C@@H]1CCCC[C@@H]1C1CCCCC1 108357058 MFLJIQSYFWOEAF-BRWVUGGUSA-N 313.507 3.292 0 40 DGAB Cc1noc(Cl)c1CCC(=O)NCc1cc2ccccc2[nH]1 57559377 OPDVVXTUAUPGPO-UHFFFAOYSA-N 317.776 3.367 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccnc1 27975838 UBGKWVYTLCHMMV-SFHVURJKSA-N 310.397 3.044 0 40 DGAB CC(C)CN(CC(F)(F)F)C(=O)Nc1nnc(C2CC2)s1 58150110 IKWFSNXNEMXFAV-UHFFFAOYSA-N 322.356 3.468 0 40 DGAB NC(=O)c1ccccc1NC(=O)CCSc1ccc(F)cc1 58155634 LOZJVNMHKHJMDH-UHFFFAOYSA-N 318.373 3.046 0 40 DGAB O=C(CCSc1nccn1C1CC1)NCCc1ccccc1 58227759 SORPUXSYCJHLJT-UHFFFAOYSA-N 315.442 3.059 0 40 DGAB CCN1CCC[C@@H](CNC(=O)CCc2cccc(Cl)c2)C1 58392424 GBCXVYPAZLWPMY-HNNXBMFYSA-N 308.853 3.121 0 40 DGAB O=C(NCCCn1cccn1)c1ccc(-c2ccccc2)cc1 27928550 FNNJLBCSEFLIQN-UHFFFAOYSA-N 305.381 3.370 0 40 DGAB CC1(C)CC[C@@H](NC(=O)CCNc2ncccn2)c2ccccc21 58417900 HWUIWDJEMMBCPC-MRXNPFEDSA-N 324.428 3.208 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)Cc2ccc(Cl)cc2)n1 48331538 QMJBXDPUVOXVSN-LBPRGKRZSA-N 319.836 3.148 0 40 DGAB Cc1c(C(=O)OCCOc2ccccc2)[nH]c2c1C(=O)CCC2 2469427 CRAKJHCKYPKBKQ-UHFFFAOYSA-N 313.353 3.078 0 40 DGAB CN(Cc1c(F)cccc1Cl)c1cc(=O)n2ccccc2n1 29161345 UHAOUHIZDDMZLS-UHFFFAOYSA-N 317.751 3.123 0 40 DGAB C[C@@H](CN[C@@H](c1ccc(F)cc1)P(=O)(O)O)c1ccccc1 12998750 BYMKZRBMSWTANU-BLLLJJGKSA-N 323.304 3.395 0 40 DGAB Cc1c(C)n(C[C@H](O)CNC2CCCC2)c2ccc(F)cc12 28297174 KJLZQNSERHDGAY-MRXNPFEDSA-N 304.409 3.290 0 40 DGAB CCOc1ccccc1Nc1nnc(SCC(C)=O)s1 6350801 WZEYLWQGDZAYDD-UHFFFAOYSA-N 309.416 3.362 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)[C@H]2CCC(=O)NC2)c(C)c1 65606830 KQADWRUHEUVENK-OLZOCXBDSA-N 320.458 3.350 0 40 DGAB C[C@H](NC(=O)CC[C@H]1Cc2ccccc2NC1=O)c1ccccc1 14898279 PMOUHFYLLPSJKD-YOEHRIQHSA-N 322.408 3.455 0 40 DGAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1 4999348 KTEBCRSXUKVTAQ-MRVPVSSYSA-N 304.400 3.139 0 40 DGAB Brc1ccc(-c2nccn2C[C@@H]2CCCO2)cc1 82739458 DVEFWFSCLPZVEN-ZDUSSCGKSA-N 307.191 3.492 0 40 DGAB Cc1nc(C)c(C(=O)N2CCCN(C)c3ccc(Cl)cc32)o1 81456544 OUOPDNXMHNASSY-UHFFFAOYSA-N 319.792 3.432 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccccc2OC)c1 8942228 KJBBAVAUFHWUKY-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB COc1ccc(C(=O)Nc2ncccc2C)cc1Br 9322056 ZUSJLTXERBDTIR-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB C[C@@H](c1ccccc1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 9387760 WUGWHFMDXOPEDI-ZDUSSCGKSA-N 312.369 3.047 0 40 DGAB Cc1cc(OC(=O)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1 9421409 YOWFZTDOTABBNB-UHFFFAOYSA-N 318.336 3.276 0 40 DGAB O=C(NCc1ccccc1OCC1CC1)[C@@H]1C[C@H]1c1cccnc1 96416765 AKCFOQNGHPLJON-ZWKOTPCHSA-N 322.408 3.290 0 40 DGAB COc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1OC 9577367 XBDUXHXJIAJKMN-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB CCn1cc(Br)c(COCCC(F)(F)F)n1 408716062 IKUJECSVRROPFM-UHFFFAOYSA-N 301.106 3.135 0 40 DGAB Cc1nc2n(n1)C[C@@H](Nc1ccnc3cc(Cl)ccc13)CC2 71874979 NAYWBOXWTLULKC-LBPRGKRZSA-N 313.792 3.215 0 40 DGAB COc1ccc(NC(=O)NC2CCSCC2)c(Cl)c1 71851837 RRBHOXNRPWPEDW-UHFFFAOYSA-N 300.811 3.366 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)N[C@@H]1CCC[C@@H]1O 72292018 NDIBIGAGZBSNOK-KOLCDFICSA-N 300.811 3.097 0 40 DGAB CC(C)=CCSc1ccccc1C(=O)NCc1cnn(C)c1 71921774 FNOCNQKFHRNSKK-UHFFFAOYSA-N 315.442 3.408 0 40 DGAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O 71908583 LJSGVWWXEOHPAY-KPZWWZAWSA-N 318.376 3.191 0 40 DGAB COc1ccc(-c2noc(CC3CCSCC3)n2)c(OC)c1 95416382 UACHGLSQRQCBBS-UHFFFAOYSA-N 320.414 3.440 0 40 DGAB C[C@@H]1CCC[C@H]1NCc1cccc(C(=O)NCc2ccco2)c1 88684252 SEDNOVDHTBWYSY-RDTXWAMCSA-N 312.413 3.488 0 40 DGAB CCC[C@H]1CCc2ccccc2N1C(=O)c1ccc(=O)n(C)c1 95965944 VPTHXQUVXYJIBQ-INIZCTEOSA-N 310.397 3.147 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cc2cc(C)ccc2o1 89948838 PRUTUQJHIAXEIC-YJBOKZPZSA-N 314.429 3.478 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C[C@H](O)C[C@@H]12 118925153 QISMGWFBZFTTPB-TVEPUBTKSA-N 304.430 3.138 0 40 DGAB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)cc1OC 409017754 PDGZIWHDQBRFLO-MDWZMJQESA-N 307.371 3.149 0 40 DGAB Clc1cnc(CN2C[C@H]3CN(c4ccccc4)C[C@H]3C2)s1 521393969 QMHYQQALIJJLDP-BETUJISGSA-N 319.861 3.365 0 40 DGAB O=C(/C=C/c1cccs1)NCc1ccc(-n2cccn2)cc1 32925612 YBCALHNXMDNZQR-CMDGGOBGSA-N 309.394 3.263 0 40 DGAB CC(C)CN1CCCC[C@@H]1c1cccnc1N1CCN(C)CC1 72216604 QUWSAWOTOVJQMM-GOSISDBHSA-N 316.493 3.016 0 40 DGAB Cc1cc(=O)[nH]cc1-c1ccc(C(=O)NCc2ccccc2)s1 72243447 ZKWKPZZLGQFGBO-UHFFFAOYSA-N 324.405 3.342 0 40 DGAB Cn1cc(CCC(=O)Nc2ccnc(Oc3ccccc3)c2)cn1 74076276 PIFULIBWOWPAGI-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB NC(=O)CSc1nc(C2CCCCC2)nc2ccccc12 35290888 IJABPSXYMOKPJZ-UHFFFAOYSA-N 301.415 3.255 0 40 DGAB Brc1cnc2nc(SCc3cccnc3)[nH]c2c1 73787843 QJBCRHDJJWDNBU-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)c1 42671490 ARZKQSWHPBJYDL-KDOFPFPSSA-N 311.381 3.321 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccsc1 225599686 NOZWUPIKSTWURN-MASHWEEQSA-N 313.422 3.444 0 40 DGAB O=C(CCn1cncn1)N1CCCCC[C@@H]1/C=C/c1ccccc1 84839423 PUPTWKOGISJTSW-DOJUMQAQSA-N 324.428 3.153 0 40 DGAB C[C@@](CO)(NCc1ccc(Br)o1)c1ccccc1 134320930 LEJKXUSZTGHQQM-AWEZNQCLSA-N 310.191 3.039 0 40 DGAB CC(C)n1cc(CNc2ccccc2N2CCC(O)CC2)cn1 195574110 CGUHJNIGSGQCMQ-UHFFFAOYSA-N 314.433 3.037 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1Cl 225190602 VCUUCZPVCJZDQO-UHFFFAOYSA-N 323.751 3.297 0 40 DGAB Cc1nc2cc(C(=O)N(C)Cc3ccccc3F)ccc2n1C 225892578 NNSKORLQYWMREE-UHFFFAOYSA-N 311.360 3.293 0 40 DGAB CCCCOc1c(Br)cc(OC)cc1C(=O)O 225280253 FEIYLZBZQSVEJK-UHFFFAOYSA-N 303.152 3.335 0 40 DGAB Fc1ccc(OC2CCN(CCc3ccccn3)CC2)cc1 96406611 DFNAVQKLQDINKD-UHFFFAOYSA-N 300.377 3.307 0 40 DGAB NC(=O)c1cccc(NC(=O)c2sccc2-c2ccccc2)n1 96483144 DDOXCWXRDMFEOU-UHFFFAOYSA-N 323.377 3.161 0 40 DGAB CSCC[C@@H](C)NC(=O)c1ccc([S@](=O)C(C)C)cc1 96436846 NSFWUABZUHTTQA-ODXCJYRJSA-N 313.488 3.074 0 40 DGAB c1cncc([C@H]2COC3(CCN(Cc4nccs4)CC3)C2)c1 96073002 OKMFAUSQYYQAAJ-OAHLLOKOSA-N 315.442 3.077 0 40 DGAB O=C(Cc1cccs1)NC1CCN(c2cccc(F)c2)CC1 96413879 HOJNTIPUTJZNEL-UHFFFAOYSA-N 318.417 3.215 0 40 DGAB C[C@]1(C(=O)NCc2ccccc2)CC(c2cccc(F)c2)=NO1 96193016 VGCIBVBFVUDFNX-GOSISDBHSA-N 312.344 3.025 0 40 DGAB O=C(O)c1ccc(/C=C/c2nc3c(F)cccc3c(=O)o2)cc1 580752965 SLNGOCSROBMGLC-RMKNXTFCSA-N 311.268 3.196 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@]43C)[C@@H]1CCC2=O 257345888 MGUDNDBPVZPSQA-QBXQWZBTSA-N 302.414 3.346 0 40 DGAB C[C@@H]1CCCN1CC(=O)Nc1cccc(COCC2CC2)c1 73081909 BZCWRQSNQWFXMQ-CQSZACIVSA-N 302.418 3.036 0 40 DGAB O=C(C1CCN(Cc2ccccc2)CC1)N1CCC(F)(F)CC1 684520659 RNWAEUJPVVRWJY-UHFFFAOYSA-N 322.399 3.156 0 40 DGAB CCc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCCC[C@H]1C(=O)O 5471527 LFYMXNFTDYJBDH-HZPDHXFCSA-N 315.413 3.419 0 40 DGAB COc1cc(CCC(=O)Nc2ccccc2F)cc(OC)c1 13015143 LPDXIUYVWLNUGX-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB C[C@@]12CC(=O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 16248888 RZRPTBIGEANTGU-BHHKEHIISA-N 300.398 3.266 0 40 DGAB COc1ccc([C@@H](C)NC(=O)Cc2cccc(F)c2)cc1OC 19934988 XDZUXVYOMJCTHF-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB O=S(=O)(Oc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 1728607 KRZWVPZFIQDBNN-UHFFFAOYSA-N 324.226 3.150 0 40 DGAB C[n+]1cccc([C@](C)(O)c2cccc(OCc3ccccc3)c2)c1 526059868 ZJYZVAJITHXFAK-OAQYLSRUSA-N 320.412 3.346 0 40 DGAB CC1(C)CC(NC(=O)c2cccc3cccnc23)CC(C)(C)N1 29787706 SQOXRRMCGGHNBG-UHFFFAOYSA-N 311.429 3.274 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@H](c4ncc(C)[nH]4)C3)coc2c1 2037677821 SUNFYDDYOAITRO-AWEZNQCLSA-N 323.396 3.331 0 40 DGAB O=C(NC1CCCCC1)N1CCn2cccc2[C@@H]1c1cccnc1 4329775 QIPCAHTVPMHTRO-SFHVURJKSA-N 324.428 3.330 0 40 DGAB CCOc1ccc2nc(NC(=O)c3ccn(CC)n3)sc2c1 11738111 QTGDCFCQSJNDCS-UHFFFAOYSA-N 316.386 3.164 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1ccc(OC(F)(F)F)c(F)c1 575360597 LJPYCJKBRCMLOU-UHFFFAOYSA-N 308.227 3.249 0 40 DGAB Cc1nc2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2nc1C 40464665 DHKCYASWJUZCLC-ZDUSSCGKSA-N 306.369 3.133 0 40 DGAB c1ccc2sc(N3CCN(Cc4cscn4)CC3)nc2c1 40473993 RQMILIBVHRSUPF-UHFFFAOYSA-N 316.455 3.075 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)Nc1nc2ccccc2[nH]1 3850510 AADGJNOIMZLXAD-UHFFFAOYSA-N 321.789 3.326 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1cc(C)ccc1C 6314448 KBRNQLDDGRCUKM-CQSZACIVSA-N 319.426 3.352 0 40 DGAB COc1ccc(NC(=S)NCc2cccc(OC)c2)cc1 7368545 UTXFCRQGGYYMEE-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB Nc1nc(Sc2ncnc3sccc23)nc2sccc12 8165988 QTKDZWGMCLERBS-UHFFFAOYSA-N 317.424 3.429 0 40 DGAB Cn1cc(NC(=O)Nc2cccc(N3CCCCCC3)c2)cn1 76020234 MPROQZWGZFPGIJ-UHFFFAOYSA-N 313.405 3.445 0 40 DGAB Cc1ncc(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)s1 76512462 ZWBDCRDELGELKY-CYBMUJFWSA-N 304.390 3.295 0 40 DGAB O=C(NCc1cn2cc(Cl)ccc2n1)Nc1ccccc1 23130056 ZTXOKGCCZNCNIZ-UHFFFAOYSA-N 300.749 3.309 0 40 DGAB C[C@H](NC(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 12539412 VXVXXAHSJWDPDR-HNNXBMFYSA-N 305.381 3.292 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)C(=O)Nc1ccccc1 12617993 QYGNISGMKJJPLW-UHFFFAOYSA-N 319.364 3.311 0 40 DGAB Cc1csc2nc(CNC(C)(C)c3ccccc3)cc(=O)n12 58209803 CUGGDFNKNQWDEW-UHFFFAOYSA-N 313.426 3.089 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 44913443 XBQVCAXJRHPSEG-CABCVRRESA-N 314.433 3.024 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSC[C@H](O)c1ccccc1 58328539 VXUMUZMYXCLGNQ-KBMXLJTQSA-N 307.459 3.148 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1cc2ccccc2o1 29010774 KXIHXGDYXGUWMP-YUTCNCBUSA-N 313.353 3.277 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)Oc1ccc(C)cc1OC 3452947 CVNMFCIEDWUNCK-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1F 3434964 INAJOSPDHKZVDV-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CONC(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 69489915 GOMMSTQMCRHEKP-UHFFFAOYSA-N 316.304 3.049 0 40 DGAB COc1ccc(CCNC(=O)Cc2cn(C)c3ccccc23)cc1 38746550 FQVVZFBADWRHFS-UHFFFAOYSA-N 322.408 3.088 0 40 DGAB biogenic Cc1cccc(C2(C(=O)N[C@H]3CCc4[nH]ncc4C3)CCCC2)c1 69849379 ZLUMMTKDRKPHQG-KRWDZBQOSA-N 323.440 3.204 0 40 DGAB COc1ccc2c(-c3c(Cl)cccc3Cl)c(=O)ncn2n1 6258875 LRQMJMTZMWLYKV-UHFFFAOYSA-N 322.151 3.072 0 40 DGAB CN(C(=O)Nc1ccc(F)cc1)[C@@H](CO)c1cccc(F)c1 65521723 SBOBLKLDWYYPIK-HNNXBMFYSA-N 306.312 3.162 0 40 DGAB C[C@H]1CCCN(Cc2csc(NC(=O)c3ccncc3)n2)C1 14167535 GPLYXBQXVYAMKH-LBPRGKRZSA-N 316.430 3.022 0 40 DGAB Fc1cc2c(c(CSC3=N[C@H]4CCCC[C@@H]4N3)c1)OCOC2 14171213 PRENALXQZIRXBZ-KBPBESRZSA-N 322.405 3.196 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)N(C)C2CCCCC2)cc1OC 7239494 UAPAYTBCWLHACV-ZDUSSCGKSA-N 320.433 3.295 0 40 DGAB CCOc1ccccc1NC(=O)c1cc(OC)ccc1OC 7398459 WNVRFYMYVOHAMZ-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CC=CCC1 15825901 LFUBCTIOERIMNO-GDBMZVCRSA-N 310.401 3.143 0 40 DGAB CCc1[nH]c2c(CNC(=O)c3cc(C)n[nH]3)cc(F)cc2c1C 71479713 UIBVSAMRVQCIJA-UHFFFAOYSA-N 314.364 3.139 0 40 DGAB CNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2Cl)c1 9314896 OSZOEHCSUPDPLA-MDZDMXLPSA-N 314.772 3.352 0 40 DGAB Cc1noc([C@H](C)SCc2nnc(C3CC3)n2C2CC2)n1 97083830 XVDRMMQTIVXVBU-QMMMGPOBSA-N 305.407 3.176 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)c1ccc(S(C)(=O)=O)cc1 97038604 NUSRJGDCOQLGMN-LBPRGKRZSA-N 321.446 3.215 0 40 DGAB O=C(c1ccoc1)N1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 97046131 BMUDWXIWKMHZTG-CQSZACIVSA-N 322.368 3.085 0 40 DGAB CCc1nc(Cl)c(C)c(NC[C@H]2COc3ccccc3O2)n1 72307761 WEKMWXFCDAKCLA-NSHDSACASA-N 319.792 3.253 0 40 DGAB Cc1noc2ncc(NC(=O)c3c[nH]nc3-c3ccccc3)cc12 79898595 ZIGUXKBOSOOFKD-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB C[C@@H](CS[C@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 95993982 QJELNOBJGMTJCJ-BBRMVZONSA-N 315.442 3.062 0 40 DGAB CC[C@H](C)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 95964866 RNDWIVISZXDOQP-LBPRGKRZSA-N 312.816 3.283 0 40 DGAB CC[C@H](NC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1 75121221 SONSLUYXGHAECW-ZDUSSCGKSA-N 319.430 3.004 0 40 DGAB CCOC(=O)[C@H](C)CNC(=O)Nc1ccccc1C(F)(F)F 75105160 ZYSCVHLIASZXHK-SECBINFHSA-N 318.295 3.026 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 89755004 PYKGHUKTWONPCX-WCQYABFASA-N 315.870 3.104 0 40 DGAB C[C@@H](Cc1ccccc1Br)NCc1ccc(CO)o1 89904214 BULIHIRKYJVQPS-NSHDSACASA-N 324.218 3.255 0 40 DGAB Cc1cccc(CNC(=O)COC(=O)c2ccc(C)cc2C)c1 67197954 PWVUBBLANMXDLG-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2c(OC)cccc2OC)cc1 30750797 ICDGFJHDKCIIPL-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB COc1ccc(-c2csc(CNC(=O)C3CCC3)n2)cc1 72264922 BCUCIOMOKAPCRK-UHFFFAOYSA-N 302.399 3.235 0 40 DGAB C[C@@H](SCc1ccccc1)C(=O)NCCC1CCN(C)CC1 78578742 LNNJYKWWVCPCDA-OAHLLOKOSA-N 320.502 3.156 0 40 DGAB COc1cc(C=O)ccc1OCCCCN1CCC(C)CC1 217797034 QKDDTBQLQINRHW-UHFFFAOYSA-N 305.418 3.399 0 40 DGAB CCOc1ccccc1CNS(=O)(=O)c1ccc(F)c(C)c1 225604556 NIPYUXDBFDRNPG-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2ccc(O)cc2)S1 222579873 JWAHDGJZDNYHEF-UVBJJODRSA-N 311.410 3.377 0 40 DGAB CCCOC(C)(C)C(=O)Nc1ccc(OCCOCC)cc1 225727746 BJGJMJHPRAFBPM-UHFFFAOYSA-N 309.406 3.246 0 40 DGAB Cc1ccccc1CS(=O)(=O)N[C@H]1CCCc2ccccc21 44886481 GUZGIMLOEBMWAC-SFHVURJKSA-N 315.438 3.492 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)N[C@H]1CCC[C@H](O)C1 75156726 JELAGGVMRHKZEZ-GJZGRUSLSA-N 313.397 3.272 0 40 DGAB CCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1C(=O)OC 225816238 IFGZBUVAXPJCFF-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB CC[C@@H](NC(=O)NCCc1ccc(F)cc1F)c1ccncc1 96440155 XLJPTQOWPHTFIA-MRXNPFEDSA-N 319.355 3.353 0 40 DGAB O=C(NC[C@H]1CCCCN1Cc1ccccn1)Nc1ccccc1 96424147 IYAUOPOQLPZONL-GOSISDBHSA-N 324.428 3.258 0 40 DGAB Cc1ccccc1C(=O)N1CC[C@H](N2CCc3ccccc3C2)C1 238866493 LWUJVCXSUBLQOE-IBGZPJMESA-N 320.436 3.268 0 40 DGAB Cn1ccnc1COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 42710241 DEBWWIVNWNDTGB-CQSZACIVSA-N 311.385 3.294 0 40 DGAB COc1cc2c(cc1OC)CN(c1ncc(Cl)cc1F)CC2 267489837 JTDCZHJRSLJLMF-UHFFFAOYSA-N 322.767 3.454 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@H](C)C3)cc2)n1 69417025 KGWYQPCDDAUKSS-AWEZNQCLSA-N 311.429 3.420 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(-c2cnco2)cc1 78623768 QRXZZDZBNDJAAI-UHFFFAOYSA-N 304.309 3.075 0 40 DGAB Cc1cnc2cc(C3CCN(C(=O)[C@H]4CC45CCC5)CC3)[nH]c2n1 19239359 XWXKFQZXSMQLNV-CQSZACIVSA-N 324.428 3.163 0 40 DGAB CCCCCn1nc(-c2nnc(CC)o2)c2ccccc2c1=O 583652227 QMBMFJOYRHXYRB-UHFFFAOYSA-N 312.373 3.199 0 40 DGAB Cc1cc(C)c(NC(=O)Cn2c(=O)oc3ccccc32)c(C)c1 7060487 PQYKBEXXUUXINB-UHFFFAOYSA-N 310.353 3.158 0 40 DGAB O=C(Cc1ccc(-n2cccn2)cc1)N(Cc1ccco1)C1CC1 40107341 NBZAPPWQBGTIKR-UHFFFAOYSA-N 321.380 3.199 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2ccccc2)cc(OC)c1OC 162997 PLMRSRWQUODTEQ-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)N3CCOCC3)cn2)cc1 40541210 OLLGASSNKNPAGD-UHFFFAOYSA-N 313.357 3.046 0 40 DGAB COc1cccc(C2=C[C@H](c3ccccc3)n3ncnc3N2)c1 100996222 ZOJUPEDQWPNCGT-QGZVFWFLSA-N 304.353 3.343 0 40 DGAB COCCCCN(Cc1ccccc1)C(=O)Nc1cc(C)on1 60035615 GXUMYAPGSAWPIK-UHFFFAOYSA-N 317.389 3.444 0 40 DGAB CN(CCC(=O)Nc1ccnn1C1CCCC1)Cc1ccco1 32870803 HUGPFSAXCNLNMP-UHFFFAOYSA-N 316.405 3.052 0 40 DGAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3)CC2=O)c1C 6674283 VWDUYDUHFGJNQY-UHFFFAOYSA-N 323.396 3.184 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)NCCc1cccc(F)c1 7123735 GVCXUYWRRDCSKO-UHFFFAOYSA-N 313.372 3.052 0 40 DGAB CC(C)=CC(=O)OCC(=O)Nc1nc(C)c(Cl)cc1Cl 2621883 XSKJDQMPLZNCMC-UHFFFAOYSA-N 317.172 3.145 0 40 DGAB C[C@@H](CNC(=O)NCc1ccncc1)Oc1ccc(Cl)cc1 76066673 ROGYJMULCCBEMT-LBPRGKRZSA-N 319.792 3.002 0 40 DGAB CCCOc1ccc(C(=O)CCC(=O)Nc2ccccn2)cc1 21893610 XIYXTWJQKCKVIJ-UHFFFAOYSA-N 312.369 3.472 0 40 DGAB O=C(NCc1cn2ccccc2n1)c1ccc2ccccc2c1 7798835 RZELIAKFVBUSHS-UHFFFAOYSA-N 301.349 3.418 0 40 DGAB CN1CC[C@]2(CCCN(Cc3ccccc3Cl)CC2)C1=O 108533207 GAHGJNMQYSKQME-KRWDZBQOSA-N 306.837 3.174 0 40 DGAB CC(C)C(=O)N1CC[C@H](NCc2cccc3[nH]ccc23)[C@H](C)C1 76057567 LIYAOAANQPSUKT-PBHICJAKSA-N 313.445 3.151 0 40 DGAB O=C(CCn1ccc2ccccc21)NCCOc1ccccc1 23135809 USGJBBIJRGSGBO-UHFFFAOYSA-N 308.381 3.227 0 40 DGAB COc1cccc(C(=O)/N=c2\ccccn2Cc2ccccc2)c1 105322407 DWDSEMNKELIXTI-XUTLUUPISA-N 318.376 3.286 0 40 DGAB Cc1ccccc1CC(=O)NCCCN1C[C@@H](C)C[C@@H](C)C1 47416445 OWXWYTWJOMLZDQ-IYBDPMFKSA-N 302.462 3.022 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1)Nc1cccc2cnccc12 43162509 BJDJMDBPFQMCRI-QGZVFWFLSA-N 307.353 3.090 0 40 DGAB O=C(OCc1cnn(-c2ccccc2)c1)c1n[nH]c2ccccc12 25049353 FDVXSVPPRQLBMN-UHFFFAOYSA-N 318.336 3.106 0 40 DGAB Cc1cccc(CSc2nc(C(F)(F)F)cc(=O)n2C)c1 1400816 MQHLXTXNMALHJY-UHFFFAOYSA-N 314.332 3.400 0 40 DGAB CCc1cccc(C)c1NCc1cc(=O)n2cc(C)ccc2n1 25735807 CEGCLFRYNCKRJN-UHFFFAOYSA-N 307.397 3.486 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC([C@H](O)c2ccccc2)CC1 107311551 DKLWLGFFQUNVMW-WQANXHIZSA-N 313.441 3.395 0 40 DGAB CCCCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1C 43832430 AWQPUDFMDLWNPK-UHFFFAOYSA-N 312.435 3.100 0 40 DGAB CC(C)Oc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 10011946 YDMVJDGDONZYDR-UHFFFAOYSA-N 324.424 3.436 0 40 DGAB Cc1cc(NC(=O)c2cccc(Cl)n2)n(-c2ccccc2)n1 3278409 AXHILFLVXKVDCY-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 10051300 QOFAIWULZCDCMA-SNVBAGLBSA-N 302.296 3.008 0 40 DGAB Cc1ccc([C@H](C)N(C)C(=O)c2ccc(N(C)C)nc2)s1 58420485 YOTWLGAKELLIIL-LBPRGKRZSA-N 303.431 3.351 0 40 DGAB CCn1cc(NC(=O)CCNc2cc(Cl)ccc2OC)cn1 58406950 GGGBPOOZFFGVFB-UHFFFAOYSA-N 322.796 3.006 0 40 DGAB O=C(C[C@H]1C=CCC1)NCc1ccc(OC[C@H]2CCCO2)cc1 36394571 QBGMZNFXTRGRGB-MAUKXSAKSA-N 315.413 3.217 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)c(C)c1 16302062 SMXLJEFZWGOQEX-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB COc1cccc(C(=O)N2CCN(c3cccc(C)c3)[C@@H](C)C2)c1 3348667 MQTGJJOWJKJTHS-INIZCTEOSA-N 324.424 3.355 0 40 DGAB COc1cccc(-c2noc(CCC(=O)Nc3ccccc3)n2)c1 2445744 LULRDIIAAWIXHL-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB CCOc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)noc2C)cc1 3565023 WHABMBKHXVMYEX-LBPRGKRZSA-N 317.341 3.118 0 40 DGAB CCN(CCCNC(=O)c1cccc2cn[nH]c12)c1ccccc1 25605289 SEIZSIWGFGDMSE-UHFFFAOYSA-N 322.412 3.209 0 40 DGAB CN(C(=O)CSCC(=O)c1ccccc1)c1ccccc1F 69847698 BKYYFUUYQCNQJC-UHFFFAOYSA-N 317.385 3.405 0 40 DGAB CNC(=O)NC(=O)CCSCc1ccc(Cl)c(Cl)c1 69391207 YXBGLXQAWNRWMK-UHFFFAOYSA-N 321.229 3.072 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1O 13986532 UBEULVACHWLHEW-UHFFFAOYSA-N 301.390 3.043 0 40 DGAB CCN(C(=O)c1ccc[nH]1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69413921 CTGOYQZDOVTMIC-DOTOQJQBSA-N 311.429 3.312 0 40 DGAB CCCSCC(=O)Nc1ccc([C@@H](C)N2CCOCC2)cc1 65610241 CSLDYJAWINEQIL-CQSZACIVSA-N 322.474 3.162 0 40 DGAB NC(=O)CCN(C(=O)c1cccc(Cl)c1)c1ccc(F)cc1 8936861 FPCLQQAZSUUQCO-UHFFFAOYSA-N 320.751 3.001 0 40 DGAB Nc1nnc(SCc2ccc(F)cc2)n1-c1ccccc1 4661552 NKSOBDNZTRGWDD-UHFFFAOYSA-N 300.362 3.281 0 40 DGAB CCCCC(=O)Nc1nnc(COc2ccc(F)cc2)s1 5533474 MBCPSNONMZOWIA-UHFFFAOYSA-N 309.366 3.385 0 40 DGAB C[C@@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2)C1=O 6654251 ZIQNXTQZFLQEMH-KRWDZBQOSA-N 314.772 3.307 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccoc2)n(-c2ccccn2)n1 69519661 UBMLFTFSJGBIKF-UHFFFAOYSA-N 310.357 3.410 0 40 DGAB Cc1nc(C[C@@H]2CCCN(Cc3cccc4[nH]ccc34)C2)no1 92814329 JNNMTONKCBQBSA-AWEZNQCLSA-N 310.401 3.314 0 40 DGAB O=C(C[C@@H]1CCCO1)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 71186511 TWDPFZJNAHCHQI-ZKYQVNSYSA-N 313.319 3.247 0 40 DGAB Cc1cc2c(cc1O)NC(=O)C[C@@H]2c1ccc(-c2cc[nH]n2)o1 67641568 VNRFYICLDWHXNM-NSHDSACASA-N 309.325 3.158 0 40 DGAB CC(C)OCc1ccc(CNC(=O)[C@@H]2CC23CCOCC3)cc1 79014282 MPKGPEVAXVODPL-KRWDZBQOSA-N 317.429 3.045 0 40 DGAB O=C(O)Cc1ccc(OCc2nc(-c3ccsc3)no2)cc1 96997204 BJLFWBYYCWWXTG-UHFFFAOYSA-N 316.338 3.004 0 40 DGAB O=c1c2ccsc2ccn1C[C@H](O)c1ccc(F)cc1F 96001588 YRBMDDWZNXVNDZ-ZDUSSCGKSA-N 307.321 3.075 0 40 DGAB C[C@@](O)(CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1 97079739 BIZKZOGWIZIUHG-LJQANCHMSA-N 321.380 3.313 0 40 DGAB Cc1csc(N2CCC(Nc3ccc4[nH]ncc4c3)CC2)n1 97038113 HZCILYCPFQQMIG-UHFFFAOYSA-N 313.430 3.409 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)cn1 71796925 HMQOCERZLPLKAS-AWEZNQCLSA-N 315.442 3.338 0 40 DGAB C[C@@H](NC[C@@H](c1ccccc1)N1CCOCC1)c1ccco1 96476465 YMWPHQRZTBJWBT-WBVHZDCISA-N 300.402 3.004 0 40 DGAB CC[C@@H]1c2ccccc2CCN1C(=O)c1cnc2c(c1)ncn2C 97050600 VHVWGFWFDZKHGZ-QGZVFWFLSA-N 320.396 3.118 0 40 DGAB CCOC(=O)CC1(N(C)C(=O)c2c(C)noc2C)CCCCC1 72295392 YJDRQFZIBHGSAS-UHFFFAOYSA-N 322.405 3.020 0 40 DGAB Cn1cc(-c2noc(-c3ccc4ccc(Cl)cc4n3)n2)cn1 83980733 RECMWGKQMOFABB-UHFFFAOYSA-N 311.732 3.339 0 40 DGAB O=C(CCc1cccs1)N1CCC[C@H]1c1noc(C2CC2)n1 84442211 BVKLZMCKJJGSCF-ZDUSSCGKSA-N 317.414 3.305 0 40 DGAB CC[C@@H](C)c1csc(NC(=O)N[C@H](C)c2cnn(C)c2)n1 84726951 WTEYOGFAUOLEHR-NXEZZACHSA-N 307.423 3.273 0 40 DGAB CC(C)c1cc(C(=O)Nc2cnccc2OC(C)(C)C)nn1C 95434681 ZSAOCBOIMXABBH-UHFFFAOYSA-N 316.405 3.368 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@H]1CCCC[C@@H]1OCC(F)(F)F 95408587 WPOWWPMCYKUAEK-YPMHNXCESA-N 318.339 3.191 0 40 DGAB CC[C@H](NC(=O)NCCc1ccsc1)c1c(C)noc1C 95441251 YLHHQKLPTLETIP-ZDUSSCGKSA-N 307.419 3.346 0 40 DGAB CSc1ccc(CN(C)C(=O)[C@H](CN)c2ccccc2)cc1 95408286 RZWVOVREVRDLFO-QGZVFWFLSA-N 314.454 3.109 0 40 DGAB Cc1ccc(C(N)=O)cc1NCc1ccn(-c2ccc(F)cc2)n1 95994890 BSMUVYSNBFUGEJ-UHFFFAOYSA-N 324.359 3.031 0 40 DGAB CC(C)N(C[C@H](C)O)C(=O)NCc1csc2ccccc12 89869540 ASBHMZIKYFLBRT-LBPRGKRZSA-N 306.431 3.202 0 40 DGAB CCC(=O)Nc1cc(C(=O)N(C)c2ccccc2)ccc1OC 68561688 NSSBPIWAXOLVHE-UHFFFAOYSA-N 312.369 3.320 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccccc3)cc2)n1 61108445 KIUUPNSBZXFIBS-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CC(C)c1cc(N2CCC[C@@H]2c2nc(C(=O)O)cs2)ncn1 519161616 KCVJADWBVUNOTD-GFCCVEGCSA-N 318.402 3.096 0 40 DGAB Cc1nc(-c2cccnc2)nc(NCCOc2cccnc2)c1C 78260643 YKDTWOQHCYTSSN-UHFFFAOYSA-N 321.384 3.041 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](OCc2cnc(Cl)s2)C1 72411054 KWKKTUFKBVKDLB-VIFPVBQESA-N 318.826 3.323 0 40 DGAB FC(F)(F)c1ccccc1Cc1cccc([C@@H]2CNCCO2)n1 74941200 KDXVJQXQVXHLKC-INIZCTEOSA-N 322.330 3.352 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)Cc2ccccc2F)cc1 225446866 AQWZJVAMHGFOMX-UHFFFAOYSA-N 323.371 3.179 0 40 DGAB COc1cc(CNc2ccc(CCO)cc2)c2c(c1)C[C@@H](C)O2 86257240 IYFQUIMHXGYZBA-CYBMUJFWSA-N 313.397 3.166 0 40 DGAB CC(C)OCCC[S@](=O)c1cccc(Br)c1 195579596 ZBQNJMLESHZYHJ-INIZCTEOSA-N 305.237 3.372 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)CCc1ccco1 47282039 UUFRFWQXPXXSAN-OAHLLOKOSA-N 315.417 3.358 0 40 DGAB CN(C)[C@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 517438602 GIWAXFZXODOPPA-IBGZPJMESA-N 310.441 3.402 0 40 DGAB O=[S@](Cc1ccc(-n2cccn2)cc1)c1ncccc1Cl 195562660 PFCPTHDWOYADRP-OAQYLSRUSA-N 317.801 3.229 0 40 DGAB Cn1ccnc1CN1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97372119 JPTCXEGUKDRYAT-ZDUSSCGKSA-N 309.335 3.428 0 40 DGAB C[C@@H](NC(=O)/C=C/c1ccco1)c1cccc(-n2ccnc2)c1 96432057 VXWJMQVVQGPEJJ-HSBSLETESA-N 307.353 3.356 0 40 DGAB c1ccc(-c2cnc3n2C[C@H](CNC2CCCCC2)OC3)cc1 96269364 UYFOBCXJUBBYKX-KRWDZBQOSA-N 311.429 3.371 0 40 DGAB biogenic,in-vitro CCC[C@@H](NC(=O)CC(=O)NC)c1ccc(Cl)c(Cl)c1 97097237 IWGZEFQLHGQZDG-GFCCVEGCSA-N 317.216 3.087 0 40 DGAB O=c1cc(CN2CCC(c3cc4ccccc4[nH]3)CC2)occ1O 96412943 QOOHGBKUBAIANA-UHFFFAOYSA-N 324.380 3.206 0 40 DGAB CCOC[C@H]1CCC[C@]12CN(C(=O)c1sccc1C)CCO2 96159882 OGGACXGTGVSUIV-PBHICJAKSA-N 323.458 3.104 0 40 DGAB CCN(C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96446069 BMWNLZMMOKTOIG-UHFFFAOYSA-N 303.337 3.283 0 40 DGAB Fc1ccccc1OCCCN1CCC(c2cnccn2)CC1 257217125 CXOBTNCPWRYGAA-UHFFFAOYSA-N 315.392 3.264 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1 252586747 SFKVFPDMRHAPAT-UAGQMJEPSA-N 324.428 3.040 0 40 DGAB Cc1ccc(-c2cc3cc(S(=O)(=O)O)ccc3n2C)cc1 255190710 YXYIZSOLWFDQFW-UHFFFAOYSA-N 301.367 3.400 0 40 DGAB COc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4)C(=O)[C@H]32)c1 585138392 MJMAYUJVLPINSO-YTQUADARSA-N 307.393 3.457 0 40 DGAB COc1cccc2c1CN(C(=O)[C@](C)(CC(=O)O)CC(C)C)C2 634939085 AHRHVVQUYQIGPT-SFHVURJKSA-N 319.401 3.065 0 40 DGAB O=C(/C=C/c1cccs1)NCC[C@H](CCO)c1ccsc1 575607386 LFCKODRTRLRZMJ-ITDFMYJTSA-N 321.467 3.495 0 40 DGAB COc1cccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)c1 430041 BTSGMINRAPXSBB-MHWRWJLKSA-N 309.321 3.048 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@H]1C=C[C@@H]2C12CC2 5024198 LHZZXNXZKJHZKB-DJBIQUGXSA-N 317.747 3.181 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccccc2C(=O)OC)cc1 5295081 MBJZFERYJFSWOY-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB Cc1cc(S(=O)(=O)NCc2ccccc2Cl)ccc1F 11613816 AFHVMKCMCMWYGT-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB COc1cccc(CNC(=O)c2cc(-c3ccc(C)cc3)[nH]n2)c1 14342537 PNYPWUROFWBBOH-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB CCOc1ncccc1C(=O)OCc1ccc(-n2cccn2)cc1 14644280 RVMKLLPWYXEBCT-UHFFFAOYSA-N 323.352 3.023 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 18120720 ULRHLFIXURNCNE-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CCOc1ccc(NC(=O)COc2cc(C)ccc2C)c(N)c1 226358901 CNPDUMDZQSJWKN-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cn2cncn2)cc1 10817472 STDSTOHIRBRTOP-UHFFFAOYSA-N 318.380 3.067 0 40 DGAB O=C(O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1 13442415 RSTRSEHIPZZAAN-UHFFFAOYSA-N 303.745 3.011 0 40 DGAB COc1ccc(S(=O)(=O)N(C)C/C=C/c2ccccc2)cc1 21566092 HLHBJYWUPSICAT-RMKNXTFCSA-N 317.410 3.029 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1Cc1ccccc1 25515987 VQGKSDPOORUNND-MRXNPFEDSA-N 309.365 3.263 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@H](COc2ccncc2)C1 1776000883 OFZIPJIHOLYSIM-HNNXBMFYSA-N 311.385 3.405 0 40 DGAB CCOc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 40525395 XPVCOAPOHSNXHP-INIZCTEOSA-N 318.348 3.080 0 40 DGAB COc1ccc(CCNC(=S)c2ccc(OC)cc2)cc1 1443840 REKAYFUMAYMGEA-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc4cc[nH]c4c3)C2=O)c1 113561623 ZVTRXGZRKPRYGK-QGZVFWFLSA-N 319.364 3.220 0 40 DGAB O=C(Cc1cccs1)NCc1cccnc1OC1CCCC1 40090836 NLEVUQVWRILMSR-UHFFFAOYSA-N 316.426 3.323 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)c(C)c1 31314278 ALEMGLJQQOGREC-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB Cc1cc(NC(=O)CCN(C)[C@@H](C)c2ccccc2F)no1 51407355 OKNKFZMFXGHLHP-LBPRGKRZSA-N 305.353 3.144 0 40 DGAB O=C(O)c1ccccc1S[C@H]1CCc2ccccc2NC1=O 20727212 DMYSJFHOULWIDY-HNNXBMFYSA-N 313.378 3.430 0 40 DGAB CC(=O)CSc1nnc(-c2ccc(Br)cc2)o1 189987 COGPEKYBIKLOQJ-UHFFFAOYSA-N 313.176 3.180 0 40 DGAB Cn1c(SC[C@H](O)COc2ccccc2)nc2ccccc21 360014 ZSTUCNIBMLLZLZ-CYBMUJFWSA-N 314.410 3.105 0 40 DGAB CCOC(=O)CCCC(=O)c1c(F)c(F)c(F)c(F)c1F 2378959 VNOIPFZONGUUNN-UHFFFAOYSA-N 310.218 3.298 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc[nH]c1=S 32828619 WVETYVGINUIZAY-UHFFFAOYSA-N 310.382 3.241 0 40 DGAB O=C(O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 4741209 DOMPBMYFWLPPAP-CYBMUJFWSA-N 310.305 3.105 0 40 DGAB NC(=O)c1ccccc1NC(=S)Nc1ccc(Cl)cc1 6269389 VKAAVDVGUCHENB-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB Cc1csc(NC(=O)c2cc(-c3cccc(F)c3)no2)n1 32833162 BTMKOMBAQBYMPJ-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB O=C(CSc1nnc(-c2ccc(Cl)cc2)o1)N1CCCC1 417687 LTWBKZWXPICRNH-UHFFFAOYSA-N 323.805 3.105 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)COc2ccccc2)c1 10443929 VVSPTOYREZLOHX-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC(=O)c1cc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)n(C)c1 53307469 POIFOWYFSYXRDF-LLVKDONJSA-N 302.349 3.200 0 40 DGAB Cc1cnc(C(=O)N2CCC(c3c[nH]c4ccccc34)CC2)cn1 22700130 IHZILTBSNCAFGR-UHFFFAOYSA-N 320.396 3.286 0 40 DGAB CCc1ccc(C(=O)CCC(=O)Nc2c(C)nn(C)c2C)cc1 22899511 YSZWWMXOCJLZQJ-UHFFFAOYSA-N 313.401 3.201 0 40 DGAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H]1CCCO1 42866601 NKTRPMXUSSQDQQ-NEPJUHHUSA-N 319.430 3.178 0 40 DGAB CCOC(=O)c1ccc(-n2nc(-c3ccccc3)cc2O)cc1 101007680 VORFWHKKRLDGGJ-UHFFFAOYSA-N 308.337 3.422 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3nc(C)no3)C2)C1(C)C 106829715 MLMGSHVRBLDZDT-RRFJBIMHSA-N 317.433 3.322 0 40 DGAB Cc1cc(NC(=O)N2CCC(Oc3ccccc3)CC2)no1 56518125 NQYSDKPSDOAYGU-UHFFFAOYSA-N 301.346 3.058 0 40 DGAB O=S(=O)(Cc1cc(Cl)cc2c1OCOC2)c1ccccc1 43849713 HNNFBAXPXXDZAL-UHFFFAOYSA-N 324.785 3.180 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1F 29571045 QVDIGJLUDHHZSN-CQSZACIVSA-N 322.380 3.472 0 40 DGAB FC(F)(F)CNc1nnc(SC[C@@H]2CCCCO2)s1 57773372 SPNZOGICJWISGC-ZETCQYMHSA-N 313.370 3.174 0 40 DGAB FC(F)(F)CN1CCCN(CCOC2CCCCCC2)CC1 77318284 ZAMZARZZKVCKRX-UHFFFAOYSA-N 322.415 3.296 0 40 DGAB COCc1c(C(=O)N=c2[nH]c3ccccc3[nH]2)oc2ccccc12 58369356 IXDUQSLHAFBOHL-UHFFFAOYSA-N 321.336 3.130 0 40 DGAB CC(C)(C)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3297294 FDYQPUNHPFXAOA-UHFFFAOYSA-N 304.173 3.065 0 40 DGAB c1ccc(-n2cc(CNc3ncnc4sccc34)cn2)cc1 10911605 WDKHKTWAIQQSCC-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB C[C@H]1CCN(C(=O)[C@@H](C)n2cccn2)c2ccccc2S1 28504278 ZNSMWLBYCFXJNX-QWHCGFSZSA-N 301.415 3.362 0 40 DGAB Cc1cc(C)c(C(=O)OCC(=O)NCc2cccs2)c(C)c1 3365016 RTLVEWGUMVHLTQ-UHFFFAOYSA-N 317.410 3.147 0 40 DGAB O=C(NCCc1ccco1)c1ccc([C@H](O)c2ccccc2)cc1 12795424 PAQCBGCLUJLTOL-LJQANCHMSA-N 321.376 3.334 0 40 DGAB Cc1cccc(OCCN(C)CC(=O)N[C@@H]2CCCC[C@H]2C)c1 12783573 WVGQWRZRUVLQHJ-SJLPKXTDSA-N 318.461 3.001 0 40 DGAB COc1ccc(CNC(=O)NCc2ccc(F)c(C)c2)cc1 12877381 DHGJWSBCHVLGGR-UHFFFAOYSA-N 302.349 3.142 0 40 DGAB CC(C)n1ncc2cc(NC(=O)COc3ccccc3)cnc21 12877830 FDGUOZWZLOCMTC-UHFFFAOYSA-N 310.357 3.030 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1cc(C)cc(C)c1 3401857 RWPOJOXANHSRLJ-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1ccccc1Cl 3452253 NAFZYHKBXAJHGK-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@H](c1ccc(Cl)cc1)N2 13123914 XBFMEHHFYZYVBC-NEPJUHHUSA-N 315.764 3.253 0 40 DGAB COc1ccnc(N2CCC(c3c[nH]c4ccccc34)CC2)n1 14319756 IBWMKJHUSFUJGQ-UHFFFAOYSA-N 308.385 3.351 0 40 DGAB Fc1cccc2c1CN(Cc1c[nH]nc1-c1cccnc1)CC2 93454306 FGYVGWFXVNABKK-UHFFFAOYSA-N 308.360 3.169 0 40 DGAB COc1ccc(OC)c(/C=C/c2nc3ccccc3[nH]c2=O)c1 7738738 FGGFVLUSYKVYFC-VQHVLOKHSA-N 308.337 3.111 0 40 DGAB CC(C)c1nnc(NC(=O)COc2cccc(Cl)c2)s1 9012387 SBDRDMLKHDPTIK-UHFFFAOYSA-N 311.794 3.332 0 40 DGAB COc1ccccc1NC(=O)c1ccc(N2CCCCC2=O)cc1 9390247 RUIQEPGNQDLFNU-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB O=C1NC(=O)/C(=C\c2csc(-c3ccc(F)cc3)n2)S1 96926567 KSAZXWLHVWDKHH-BJMVGYQFSA-N 306.343 3.273 0 40 DGAB COc1ccc(CNCCc2coc(-c3ccccc3)n2)cc1O 78552447 DQEXVYOIHHDXQP-UHFFFAOYSA-N 324.380 3.388 0 40 DGAB CN(Cc1cnccn1)C(=O)Nc1ccc(SC(F)F)cc1 72287617 NHRAWCKDOOJENO-UHFFFAOYSA-N 324.356 3.455 0 40 DGAB COc1c([C@@H]2CCCN2c2cnc3ccccc3n2)c(C)nn1C 72276575 UHDRZXUUUPOALI-HNNXBMFYSA-N 323.400 3.022 0 40 DGAB CC(C)n1cc(NC(=O)c2sccc2OC(F)F)cn1 78504225 ZYMAMAOAMJJROQ-UHFFFAOYSA-N 301.318 3.379 0 40 DGAB O=S(=O)(Nc1ncccn1)c1ccc(Cl)c2ccccc12 97114297 KPNIDLFBEDVOGC-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB CC[C@@H](NC(=O)N[C@@H](CCO)C1CCCCC1)c1ccncc1 95424800 QIYHLMBRTOJXGN-SJORKVTESA-N 319.449 3.163 0 40 DGAB CCC(CC)NC(=O)c1nnn(-c2cccc3cnccc23)c1C 95953715 DJXYSCFVQBUUMA-UHFFFAOYSA-N 323.400 3.042 0 40 DGAB Cc1c(NC(=O)N(C)[C@@H]2CCSC2)cnn1CCC(C)C 95975323 UNQANAQINGBCEB-CYBMUJFWSA-N 310.467 3.207 0 40 DGAB CN(CCOc1ccccc1)C(=O)c1coc(Br)c1 74289292 OAJGVBLNHAPMFW-UHFFFAOYSA-N 324.174 3.193 0 40 DGAB Cc1cncc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)c1 74834504 FIDSERHJDSFNBH-UHFFFAOYSA-N 304.415 3.488 0 40 DGAB CC[C@@H](Oc1cc(C)ccc1C)C(=O)NCCCOC(C)C 20489905 JWPPMMRXYMPXLK-MRXNPFEDSA-N 307.434 3.392 0 40 DGAB Cc1ccc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)c(=O)[nH]1 75122849 PELSRZJPRXQEQG-UHFFFAOYSA-N 316.788 3.146 0 40 DGAB CSC[C@H](C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 89870373 KYMKPQSAKPGNIC-JTQLQIEISA-N 303.431 3.388 0 40 DGAB O=C(Nc1ccc2nccnc2c1)c1nccc2ccccc12 170668354 PUUAGHPCTGXULQ-UHFFFAOYSA-N 300.321 3.430 0 40 DGAB CCc1nnc(C2CCN(C(=O)Cc3ccccc3)CC2)s1 38900556 VJTYJCVPLPRSBV-UHFFFAOYSA-N 315.442 3.049 0 40 DGAB CC[C@@H](C)NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579083 OMKLNWIBVVSKBG-GFCCVEGCSA-N 317.389 3.154 0 40 DGAB COc1cccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 36635451 NGZYIPRKDXZNNO-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB O=C(NCc1ccc(F)cc1)NCC1(c2cccs2)CC1 38489677 OOXXZLOLRDGNJH-UHFFFAOYSA-N 304.390 3.418 0 40 DGAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)NC1CCSCC1 79040108 IXLMYLWVYGWOEN-VIFPVBQESA-N 317.813 3.258 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@H]1c1ccc[nH]c1=O 72212337 SXERCMRCEJRROI-INIZCTEOSA-N 312.369 3.239 0 40 DGAB c1ccc(Nc2nc([C@H]3CCCN3c3ccncn3)cs2)nc1 72384842 OPXSBYONROWSEL-CYBMUJFWSA-N 324.413 3.413 0 40 DGAB C[C@H]([C@@H](O)c1ccccc1)N1CC[C@H](Nc2ccccc2)CC1=O 40433803 YKGWVPYIUSCMSX-MOXGXCLJSA-N 324.424 3.212 0 40 DGAB CC(C)CCNC(=O)CN(C)Cc1c(F)cccc1Cl 40161699 SNIBFDGJNYCCOO-UHFFFAOYSA-N 300.805 3.073 0 40 DGAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225799418 NDKFOSUTPLDVRC-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc(Cl)cc1 224293191 LHLSMGMBYUMYEL-UHFFFAOYSA-N 304.781 3.065 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1C 224631227 RFULSOAFHYRXNN-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB O=C(c1conc1-c1ccccc1)N1CCOc2ccccc21 225869750 PSPQLYYUULIAGH-UHFFFAOYSA-N 306.321 3.381 0 40 DGAB O=C(COc1ccccc1F)NCCSCc1ccccc1 222773660 DELKSFYLZDXEBK-UHFFFAOYSA-N 319.401 3.254 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1 225390705 YZBQHGJEDSGVBC-LLVKDONJSA-N 303.333 3.334 0 40 DGAB CSC1(CNC(=O)Nc2cc(C)cc(C)c2)CCOCC1 96433694 FRFYCCBQRCQOSF-UHFFFAOYSA-N 308.447 3.337 0 40 DGAB Cc1csc(C(C)(C)NCC(=O)N[C@H](C)c2cccs2)n1 96443398 VWTKJPSVRNPYAO-LLVKDONJSA-N 323.487 3.215 0 40 DGAB Cc1cccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)n1 96192973 QLJXPTGDUGCGQP-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB Cc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2Cl)C1=O 96308967 OYTJMOFRVVARDG-CQSZACIVSA-N 314.772 3.392 0 40 DGAB Cc1nc(CC(C)C)c(NC(=O)N2[C@H]3CC[C@H]2COC3)s1 333816851 ICJBQUZCJOGLNJ-RYUDHWBXSA-N 309.435 3.045 0 40 DGAB CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 96493649 UQZLXAKPYGMEAC-HUUCEWRRSA-N 305.422 3.132 0 40 DGAB CC[C@@H](O)c1ccc(OCC(=O)NCc2sccc2C)cc1 96475747 KCBGVSDSYHQDDA-OAHLLOKOSA-N 319.426 3.195 0 40 DGAB C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3Cl)CC[C@@H]2O1 96070535 BBKUQXXOJDRTBT-NOLJZWGESA-N 307.821 3.299 0 40 DGAB Cc1cc(F)ccc1Cc1noc([C@@H]2CC23CCOCC3)n1 585084226 NURZQIXXKUCCCV-AWEZNQCLSA-N 302.349 3.392 0 40 DGAB COc1ccccc1C(=O)N1CCCC[C@@H]2N(C)CCC[C@@]21C 257310240 UEIORPBFOVDRRH-HKUYNNGSSA-N 316.445 3.174 0 40 DGAB Cc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1OC(C)C 263012855 HVJCECHUOTYPBG-UHFFFAOYSA-N 320.389 3.111 0 40 DGAB CO[C@@H](CNC(=O)c1cc(-c2ccco2)on1)c1ccsc1 96103328 ZNVSOSQVOKSCGN-AWEZNQCLSA-N 318.354 3.114 0 40 DGAB Cc1cncc(CCNC(=O)Nc2cccc(C(C)(F)F)c2)n1 585101371 DCKPRLJVAATSQV-UHFFFAOYSA-N 320.343 3.261 0 40 DGAB Cc1nc2ccc(C(=O)Nc3nc(CC4CC4)ns3)cc2o1 685939034 FFRRGSIWNIZGER-UHFFFAOYSA-N 314.370 3.193 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)Nc2ccccn2)CC1 58297770 XTDWDOLLEYMAPP-UHFFFAOYSA-N 310.401 3.498 0 40 DGAB Cc1ccc(C)c(CN2CCC(CCN3CCOCC3)CC2)c1 58439164 STCGDISQMPGMEW-UHFFFAOYSA-N 316.489 3.238 0 40 DGAB Cc1n[nH]c(SCCC(=O)Nc2ccc(F)c(Cl)c2)n1 72306826 ZXSVEITZJXZVOM-UHFFFAOYSA-N 314.773 3.027 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)N1CC2(CCCC2)c2ccccc21 81528479 UROBVMAAWBWCRT-OAHLLOKOSA-N 324.428 3.313 0 40 DGAB Cc1noc([C@@H](C)N(C)C(=O)Cc2cccc(C(F)F)c2)n1 580782598 JBDHZEYJMZOMPK-SECBINFHSA-N 309.316 3.078 0 40 DGAB CC[C@@]1(c2ccc(Cl)cc2)O[C@@H](COC(N)=O)CS1 5469209 FINMYRAPEGYUCL-WCQYABFASA-N 301.795 3.130 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N(C)C)cc2)c(OC)c1 5797837 AZZTXQLUUAJGKA-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB CC(=O)c1cc(C(=O)NCCCc2ccc(F)cc2)cs1 12193247 LYLCNMAAJWYYAU-UHFFFAOYSA-N 305.374 3.452 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccccc1NC(=O)C(C)(C)C 14404721 CCGRQTKLFDXKDE-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB CC[C@H](CNC(=O)CNC(=O)c1ccc(C)cc1)c1ccccc1 15541844 KQVIABYPIMMBNU-MRXNPFEDSA-N 324.424 3.035 0 40 DGAB c1ccc(CCNc2c(-c3ccccn3)nc3cnccn23)cc1 12113824 AEWGOBPWKARYBF-UHFFFAOYSA-N 315.380 3.446 0 40 DGAB Cc1ccc(-c2n[nH]c(SCc3ccc(C(N)=O)cc3)n2)cc1 9255727 PWHJWOXKUMWIBU-UHFFFAOYSA-N 324.409 3.171 0 40 DGAB Cc1cnn(-c2cc(N[C@H]3CCCc4ccccc43)ncn2)c1 1888906660 DWGFHYWCODYWBE-INIZCTEOSA-N 305.385 3.460 0 40 DGAB Clc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1 1889160438 AQTUSEMMNZUTHK-UHFFFAOYSA-N 304.806 3.283 0 40 DGAB O=C(c1ccccc1Br)N1CCOc2ccccc21 33167897 CFHBVJMWCKYTKX-UHFFFAOYSA-N 318.170 3.488 0 40 DGAB O=c1c(=O)n(-c2ccc(Cl)cc2)ccn1CC1CCCCC1 2087067019 NNDUTUHUCYZDPH-UHFFFAOYSA-N 318.804 3.233 0 40 DGAB CSc1nnc2ccc(-c3ccc(Br)cc3)nn12 4376644 QSTONBZZIUUMRC-UHFFFAOYSA-N 321.203 3.276 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2ccccc2Cl)cc1F 5251223 NTGHLBNXVZOVCY-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 1775965815 LCRXNKITGNBIKP-QZTJIDSGSA-N 322.408 3.122 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)N[C@H](C)Cc2ccco2)cc1 75166748 ZOBOIHXDCLIBOQ-CFRMROPGSA-N 305.399 3.109 0 40 DGAB CCN1C(=O)c2ccccc2N[C@@H]1c1cc2ccccc2[nH]c1=O 30543334 UHXPYACYFUSYEF-KRWDZBQOSA-N 319.364 3.115 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)Cc1ccc(F)cc1Cl 40496781 URAMEYILLNXASH-UHFFFAOYSA-N 317.769 3.199 0 40 DGAB CC(=O)Nc1ccc(C(=O)[C@@H](C)Sc2ccccn2)cc1 31682609 VGDFHPRIWHHTQO-LLVKDONJSA-N 300.383 3.404 0 40 DGAB COc1ccc(C(=O)N2CCC(N3CCC(C)CC3)CC2)cc1 207726 BSDWLXBOPGPVSI-UHFFFAOYSA-N 316.445 3.032 0 40 DGAB O=C1Nc2ccccc2CC[C@@H]1SC(=S)N1CCCCC1 20716037 BSKJCJZOAYGLDR-AWEZNQCLSA-N 320.483 3.444 0 40 DGAB CCc1cccc(CC)c1NC1=NS(=O)(=O)c2ccccc21 148169 HBDPZLCPLZDYQX-UHFFFAOYSA-N 314.410 3.372 0 40 DGAB C[C@@H](CNC(=O)c1ccc(Cl)o1)N1CCc2sccc2C1 32429291 VCOVDWJKGYZKJN-JTQLQIEISA-N 324.833 3.171 0 40 DGAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2cccnc2)cc1 568330 HORCYLBELFMVPH-UHFFFAOYSA-N 320.396 3.275 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3cccc(Cl)c3)CC[C@@]1(C)C(=O)O2 350723 OUTICLKBUIURAF-JKSUJKDBSA-N 307.777 3.400 0 40 DGAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 317553 BLOWQNVJGWCPNR-OAHLLOKOSA-N 318.436 3.296 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)n1N)c1ccc(F)cc1 4537527 YREGXXZVNDJGBT-SECBINFHSA-N 304.350 3.244 0 40 DGAB Cc1cccc(CS(=O)(=O)N2c3ccccc3C[C@H]2C)c1 10449987 HLGKWZDJGHRHCR-CQSZACIVSA-N 301.411 3.276 0 40 DGAB CCc1nnc([C@H](C)S(=O)(=O)[C@@H]2CCCc3ccccc32)o1 75610543 DPGZYACZBHJASX-SMDDNHRTSA-N 320.414 3.185 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](O)c1ccc(C(F)(F)F)cc1 8699528 QRVMLXMOYYJIEC-NSHDSACASA-N 305.296 3.264 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CC[C@H](C)C[C@@H]1c1ccco1 76090247 FKBXYMHLIDFOPB-SMDDNHRTSA-N 316.405 3.031 0 40 DGAB CCCc1nc(N2CCC[C@@H](C)C2)c2c(n1)c(C)nn2CC 57355856 ZEFDIIJNQFJKQJ-GFCCVEGCSA-N 301.438 3.343 0 40 DGAB C[C@@H](SCc1ccccc1)C(=O)Nc1ccccc1C(N)=O 54372169 GICFHRQMHSMVGM-GFCCVEGCSA-N 314.410 3.046 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(CSc2nccn2C)o1 47427689 GUCWMUISSHEZCB-GFCCVEGCSA-N 319.430 3.320 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC=CCC1)c1cccc(F)c1 24015997 XKVHZIGYZVBPKY-BBRMVZONSA-N 313.376 3.121 0 40 DGAB COc1cccc(CN[C@H](CN2CCCC2=O)c2ccccc2)c1 47794754 AYBPATYPMMGNBJ-LJQANCHMSA-N 324.424 3.149 0 40 DGAB CCCNC(=O)c1cccc(CNCc2ccc(F)cc2F)c1 47794323 GYXFKXBDEKLQOZ-UHFFFAOYSA-N 318.367 3.394 0 40 DGAB CCO[C@H](C(=O)N[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 106668911 AAOBBQSMBJCAOK-MJGOQNOKSA-N 324.424 3.159 0 40 DGAB O=C(c1ccco1)N(Cc1ccc(F)cc1)C[C@H]1CCCO1 28250890 LMUOHAJFYMTMLY-OAHLLOKOSA-N 303.333 3.240 0 40 DGAB O=C(Cc1cccs1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55943982 OTTNGFQTYORLSR-WBVHZDCISA-N 319.401 3.466 0 40 DGAB O=C(CCCc1ccccn1)NCc1cccc(N2CC=CC2)c1 102738618 NRYVERYCWJXIPT-UHFFFAOYSA-N 321.424 3.097 0 40 DGAB CCSc1ccccc1NC(=O)N1CC[C@@H](N2CC=CC2)C1 102716733 MGUDQNSNNADFOD-CQSZACIVSA-N 317.458 3.277 0 40 DGAB CCN1C(=O)C[C@@H](Nc2ccc(Oc3ccccc3)cc2)C1=O 102815215 PRMBUICGUKHFOC-MRXNPFEDSA-N 310.353 3.038 0 40 DGAB Cc1ccc(OCC(=O)Nc2ncccc2OC(F)F)cc1 57699087 NFHDSJYGKDWBCT-UHFFFAOYSA-N 308.284 3.009 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)c1 1943784 VYXRCCNGLULCQD-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1oc(C)c(C(=O)NCc2ccccc2Cn2cccn2)c1C 27256876 WRYZBFBPDPUWAX-UHFFFAOYSA-N 323.396 3.380 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCC[C@@H](C)C1 58087261 IEYICNHPSOPDAL-IUODEOHRSA-N 317.433 3.397 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC(C)C 10037683 NXDCHYIAZPSHIY-KRWDZBQOSA-N 312.369 3.337 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nc2cc(F)c(F)cc2s1 58185528 YRTBJEVMOXEYQR-UHFFFAOYSA-N 323.324 3.361 0 40 DGAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F 58296080 CPFVQKIUZAHGBO-VXGBXAGGSA-N 324.350 3.294 0 40 DGAB CN(C)c1cc(C(=O)N(Cc2ccsc2)C2CC2)ccn1 58297248 CAIFXPYASOKJIB-UHFFFAOYSA-N 301.415 3.014 0 40 DGAB Cn1c(S[C@H]2CCCCC2=O)nnc1-c1ccc(F)cc1 8392384 PCMTZUKZEQBYNN-ZDUSSCGKSA-N 305.378 3.225 0 40 DGAB COC(=O)c1ccc(CCNC(=O)c2ccccc2Cl)cc1 25076824 QFDVQCSWZMGMQO-UHFFFAOYSA-N 317.772 3.099 0 40 DGAB CCC(CC)c1nnc(NC(=O)c2c(C)nn(C)c2C)s1 36391689 QVZLPIZZEGKKIT-UHFFFAOYSA-N 307.423 3.044 0 40 DGAB Cc1n[nH]c(S[C@H](C(=O)NC2CCCCCCC2)C(C)C)n1 28473242 LBIVWMWQJRTRPW-AWEZNQCLSA-N 324.494 3.459 0 40 DGAB CCc1ccccc1NC(=O)CCNC(=O)c1cccs1 12976990 HHNSOIDRNMETQS-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB CN(Cc1c(F)cccc1Cl)c1nnnn1-c1ccccc1 4166460 PWLRJNWCTXIFCK-UHFFFAOYSA-N 317.755 3.091 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3)c[nH]2)cc1 13608293 CYISSRSVLIHNGF-UHFFFAOYSA-N 305.381 3.358 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)o1 69739742 HRBALTHOEOSMTH-MLGOLLRUSA-N 301.390 3.097 0 40 DGAB Fc1ccc(CNC2=NN=C(c3cccs3)CS2)cc1 14108405 XDFTVYMBXPIJMP-UHFFFAOYSA-N 305.403 3.484 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](n2cccn2)C1 65625372 XFQYSNTXLWFQHI-CQSZACIVSA-N 315.442 3.301 0 40 DGAB O=C1S/C(=C/c2ccncc2)C(=O)N1CCc1ccccc1 4688499 UVJVCHQFQNOKGL-NTCAYCPXSA-N 310.378 3.361 0 40 DGAB O=C(NCc1nc(-c2ccccc2Cl)no1)c1ccccc1 6660942 HWMFOZRPDJVJKI-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB CCc1ccc(/C=C/C(=O)Nc2cccc(C(=O)NC)c2)cc1 8755519 TUNIASGESZILLS-VAWYXSNFSA-N 308.381 3.261 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCCC2=CCCCC2)c1 20487090 RJSYQOLQJWENCB-AWEZNQCLSA-N 303.402 3.469 0 40 DGAB COC(=O)Nc1cc(NC(=O)Cc2ccccc2C)ccc1F 66489585 CIGMIMCLXOHZTM-UHFFFAOYSA-N 316.332 3.494 0 40 DGAB CC(=O)c1ccccc1NCC(=O)Nc1c(F)cccc1F 6831540 ZODUGWOZNVIFNY-UHFFFAOYSA-N 304.296 3.218 0 40 DGAB CCOc1ccc(C(=O)N2Cc3ccccc3NC2=S)cc1 5809039 GPCFVQIJYHJFCN-UHFFFAOYSA-N 312.394 3.438 0 40 DGAB Cc1csc2nc(CN3CCCc4ccccc43)cc(=O)n12 7780062 QXPABCZIHVOAEW-UHFFFAOYSA-N 311.410 3.017 0 40 DGAB COc1cc(-c2ccccc2)ccc1CN(C)Cc1ncnn1C 96004851 UMVVKOAZOLFGGO-UHFFFAOYSA-N 322.412 3.123 0 40 DGAB C[C@H]1C[C@@H]1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889994 JBRJVMFHVMPYHY-FZMZJTMJSA-N 302.349 3.429 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc2ncccc2c1 97000752 WPLNFDHDDSQWIX-HNNXBMFYSA-N 312.369 3.094 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)Nc1cccc(-n2cccc2)c1 71921171 HALVJZRONBBAGB-KBPBESRZSA-N 301.390 3.006 0 40 DGAB O=C(c1coc(-c2ccccc2)n1)N1CCOc2ccccc2C1 71915464 FJACPQAWPFDJSV-UHFFFAOYSA-N 320.348 3.376 0 40 DGAB O=C(COc1ccc2ccccc2c1)Nc1cnn(CC2CC2)c1 72251802 LKBBUIDPFKDSAC-UHFFFAOYSA-N 321.380 3.464 0 40 DGAB Cc1cccc(S(=O)(=O)CCCn2ncc(Cl)c2C)c1 97144641 GWLIWICXAASFGU-UHFFFAOYSA-N 312.822 3.017 0 40 DGAB CC(=O)Nc1cccc(CNC(C)(C)c2nc(C)cs2)c1 78950062 CFAVUMPDVADQDD-UHFFFAOYSA-N 303.431 3.435 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C)C2CCN(C)CC2)c(Cl)c1 97232362 LALIPIGEYYIYEO-LLVKDONJSA-N 309.841 3.441 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)C(C)(C)Cc1cccc(Cl)c1 84637004 GADFETGEPJZPFG-OLZOCXBDSA-N 311.853 3.432 0 40 DGAB Nc1nc(Cl)cc(N2CCC[C@@H]2/C=C/c2ccccc2)n1 95468391 FFAMCVVHCOPORA-MMQHEFTJSA-N 300.793 3.394 0 40 DGAB CC[C@H]1c2cccn2CCN1C(=O)CSCc1cccnc1 95426664 AWFKRGYPBNLCRJ-HNNXBMFYSA-N 315.442 3.110 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N[C@@H]1CCCc2ccc(F)cc21 89391606 QUKPTHGODCPOJG-QGZVFWFLSA-N 315.392 3.292 0 40 DGAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@@H]1c1ccc(F)cc1 89783275 PAJGQGPBUKNUFL-RANZSIQMSA-N 319.420 3.377 0 40 DGAB CCC[C@@H]1C[C@H]1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 75376647 PMNKGNVHYLPHQI-TZMCWYRMSA-N 303.402 3.040 0 40 DGAB CC(C)[C@@H]1CCc2ccccc2N1C(=O)c1ccc(=O)n(C)c1 89828719 QIQMDHDFSFKMDK-INIZCTEOSA-N 310.397 3.003 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc(C(C)(C)C)s1 89949105 ZNZOGGDDTDFERD-HIFRSBDPSA-N 323.506 3.177 0 40 DGAB C/C1=N\C[C@@H](C)NC(C)(C)C/C(C)=N/[C@@H](C)CNC(C)(C)C1 68604778 VPWMRWNDCNUCTC-XVNXTWHZSA-N 308.514 3.215 0 40 DGAB Cc1ccc(NS(=O)(=O)/C=C/c2ccccc2)c(C(=O)O)c1 42122717 KWAGWJTWVHBWAE-MDZDMXLPSA-N 317.366 3.106 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccc(OCC(C)C)cc1 408709604 UYCPTQZHWNCUDQ-UHFFFAOYSA-N 320.433 3.356 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)s3)o2)cc1 39767513 NFBIAQDKDWPPCP-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1ccccc1)N(C(C)=O)CC2 3051954 MQLOXQFPMXGUSL-LJQANCHMSA-N 311.381 3.198 0 40 DGAB biogenic Cc1nsc(C)c1CSc1nnc(-c2cccnc2)n1C 521394520 KZCQYTMPKZSSQG-UHFFFAOYSA-N 317.443 3.243 0 40 DGAB COC(=O)c1ccc(C(C)(C)C)c(I)c1 39951763 XSYXVZNTABTYRW-UHFFFAOYSA-N 318.154 3.375 0 40 DGAB O=C(c1cccc(Oc2ccncc2)c1)N1CCCSCC1 79034308 FDUJZPASCPSABV-UHFFFAOYSA-N 314.410 3.453 0 40 DGAB COC(=O)c1ccc(CS(=O)(=O)c2ccc(C)c(C)c2)cc1 314064867 RQYLJIRVTZJJFA-UHFFFAOYSA-N 318.394 3.064 0 40 DGAB COc1ccc(Nn2c(C(C)=O)nnc2-c2cccs2)cc1 36649156 GNECUYXZDSMRTO-UHFFFAOYSA-N 314.370 3.093 0 40 DGAB O=C(O)CCCNC(=O)c1cc(-c2ccco2)nc2ccccc12 72400601 DVLTWBDVTJBIBF-UHFFFAOYSA-N 324.336 3.089 0 40 DGAB C[C@@H](c1nccs1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 72203895 GOVXPZSYUAWFCT-RYUDHWBXSA-N 311.451 3.145 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)Nc1cnn(CC(F)F)c1 72545599 QUQPRHLERQNVKO-NSHDSACASA-N 308.332 3.373 0 40 DGAB O=C(NCc1ccncc1)N1CCSC2(CCCCC2)C1 79941373 BJHNVLWAVFAJGV-UHFFFAOYSA-N 305.447 3.043 0 40 DGAB Cc1ccc(F)cc1NC(=O)C(=O)NCCC1=CCCCC1 42646090 JUZUBTGJSPAAOO-UHFFFAOYSA-N 304.365 3.079 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1cccc(OC)c1)C(=O)O 225104873 IEEBCDUTEGSTTP-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB CN(Cc1cccc(C(F)(F)F)c1)[C@H](C(=O)O)c1cccnc1 574643896 BZCSDEIOJFZSTC-AWEZNQCLSA-N 324.302 3.358 0 40 DGAB CC(=O)N(C)c1cccc(NC(=O)N(C)[C@H](C)c2ccco2)c1 81107079 WNYCDVCWCLPAGS-GFCCVEGCSA-N 315.373 3.487 0 40 DGAB Cc1cc(C)nc(Nc2ccc(C(=O)N3CCCCC3)cc2)n1 225913795 DVCJCZGACGOODY-UHFFFAOYSA-N 310.401 3.463 0 40 DGAB Cc1cccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)c1C 224298019 MTNDFVQUGMCDKG-UHFFFAOYSA-N 313.405 3.420 0 40 DGAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCN(C)C)cc1 225618266 JECRNGWWJCZHAT-SFHVURJKSA-N 322.449 3.161 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)NCc2ccccc2F)c1 40758809 BFSCSALDNRQCOS-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C\c1ccccc1 82087097 PMCZQOFYTOBCHT-NYHXXUGCSA-N 306.365 3.464 0 40 DGAB Cc1cc(C(=O)NCCOc2cccc3cccnc23)c(C)o1 44455780 NXUGVOFJTGCTCV-UHFFFAOYSA-N 310.353 3.253 0 40 DGAB COCc1csc(NC(=O)N[C@@H]2CCc3ccccc32)n1 96435558 SKWHXSWWCRLEBX-CYBMUJFWSA-N 303.387 3.099 0 40 DGAB Cn1cc([C@H](O)CN[C@@H]2CCCC[C@@H]2C2=CCCCC2)cn1 96478462 KOOBHURFQHPOJW-KZNAEPCWSA-N 303.450 3.102 0 40 DGAB O=C(c1ccccc1)[C@H](c1ccccc1)n1cc(F)ccc1=O 90557944 VLLOJAUCOUYQAT-SFHVURJKSA-N 307.324 3.460 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3ccc(O)cc3O2)C1 96319624 KUBCROSHAQDGIC-KRWDZBQOSA-N 305.374 3.097 0 40 DGAB CCOC(=O)CCc1ccc(NC(=O)c2cccnc2C)cc1 96416511 QGCZPWJTTLXKRC-UHFFFAOYSA-N 312.369 3.138 0 40 DGAB O=C(c1ccco1)N1CC[C@@H](c2noc(-c3ccsc3)n2)C1 238969743 ZHMLWJMASYRBDE-SNVBAGLBSA-N 315.354 3.021 0 40 DGAB Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)s3)O2)o1 96041093 SDXCVQOZWDPFIZ-RBSFLKMASA-N 319.430 3.243 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 50921535 USOWJBFTWZDYKB-MRVPVSSYSA-N 319.188 3.181 0 40 DGAB CCCCc1nc(CN2CCC[C@H](c3nc(C)cn3C)C2)c[nH]1 257306002 SSMKEJMZMCDPDK-HNNXBMFYSA-N 315.465 3.174 0 40 DGAB CCCCn1cc(CN2CCC[C@@H](c3[nH]ncc3C)C2)c(C)n1 257250316 JMAHIDKXNMJZMK-MRXNPFEDSA-N 315.465 3.403 0 40 DGAB CC[C@H](O)[C@H]1CCCCN1C(=O)c1cc(F)c(F)c(F)c1F 585126818 JBWXCLDDHUVJTI-MNOVXSKESA-N 319.298 3.009 0 40 DGAB Clc1ccc2sc(CNCCCn3cccn3)cc2n1 585118556 UABSBPJRGHKZMS-UHFFFAOYSA-N 306.822 3.326 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C1 252517062 ZFDJCLMJJJVDBJ-JCGVRSQUSA-N 318.392 3.213 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@@H](Cc2cccnc2)C1 257324422 WOPSPDDJIVFNPY-HNNXBMFYSA-N 320.396 3.053 0 40 DGAB Clc1cnc(Br)cc1I 90411219 UPWHKYFBMYMQJC-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB in-vitro O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cccc2ccccc12 96123068 WFDZTZYQQHWOTF-OAHLLOKOSA-N 307.353 3.250 0 40 DGAB COc1ccccc1SCC(=O)NCCc1cccs1 49372827 VBVUWWCOAFPOOY-UHFFFAOYSA-N 307.440 3.208 0 40 DGAB FC(F)(F)c1ccc2nnc(SC[C@@H]3CCCCO3)n2c1 55402103 BIKDGAHNJAMSOI-JTQLQIEISA-N 317.336 3.409 0 40 DGAB COc1c(I)cc(F)cc1C(F)(F)F 169796858 AMXKDSWLOGNIRN-UHFFFAOYSA-N 320.023 3.458 0 40 DGAB C[C@@H](Nc1ccc(Br)cn1)c1nnc2ccccn12 96453383 ZNFAQLJNYCQKHU-SECBINFHSA-N 318.178 3.060 0 40 DGAB COc1cccc(NC(=O)/C=C/c2ccc(OC)cc2OC)c1 147276 UGFVXCGUYILZHM-CSKARUKUSA-N 313.353 3.364 0 40 DGAB CC[C@@H](C(=O)N1CC(Cn2cc(Cl)cn2)C1)c1ccccc1 1848817205 ADJNVNGWHDLAET-MRXNPFEDSA-N 317.820 3.189 0 40 DGAB CCCc1ccc(OCCNC(=O)c2nc3ccccc3[nH]2)cc1 4558220 FBLIZPANRPCITR-UHFFFAOYSA-N 323.396 3.324 0 40 DGAB O=C(NC[C@@H]1COC2(CCCC2)O1)c1cccc2ccccc12 10220517 WGMTYMDZSFKCIN-OAHLLOKOSA-N 311.381 3.255 0 40 DGAB CCOc1cccc(CNC(=O)N2CCc3sccc3C2)c1 40145430 PTFYTPYWXHNDEW-UHFFFAOYSA-N 316.426 3.415 0 40 DGAB CCc1ccc([C@@H](C)NCc2cc(=O)n3cccc(C)c3n2)cc1 40460977 NJRDAEMJRXJIIU-OAHLLOKOSA-N 321.424 3.416 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N1CCO[C@@H]2CCCC[C@H]21 40553799 QUIOFUMIEBIDNH-CHWSQXEVSA-N 318.398 3.187 0 40 DGAB Cn1ccnc1C[C@@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 101374845 CFQLPKFXGBVWNL-LEUOFYLZSA-N 321.424 3.032 0 40 DGAB CC(C)=CCC[C@@]1(C)OC(=O)N(Cc2ccccn2)[C@@]1(C)O 49470 LKGKYSMQYXQABD-SJORKVTESA-N 304.390 3.247 0 40 DGAB Cc1ccc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)c1 316509 DHWQGCDAMVWBEI-IBGZPJMESA-N 309.365 3.025 0 40 DGAB C[C@H]1CCCC(C)(C)[C@H]1NCCOC(=O)c1ccc(N)cc1 1711726 RQBCMASLXMHIPZ-BBRMVZONSA-N 304.434 3.230 0 40 DGAB CCOCCOC(=O)c1cccc(NC(=O)c2ccccc2)c1 1771485 TZPGIANLCHMJFX-UHFFFAOYSA-N 313.353 3.132 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)c(C)s1 29897855 USKNFDPTPBOSPV-NSHDSACASA-N 318.446 3.174 0 40 DGAB CC(C)(C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21 4929745 AAEXTICMMYDGTO-UHFFFAOYSA-N 301.415 3.328 0 40 DGAB CCOC(=O)c1cccc(NC(=S)NC2CCCCC2)c1 7368998 YYKNMADCJIZIRZ-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccc(N2CCOCC2)cc1 7504942 LTLCRVDFYYUWEI-UHFFFAOYSA-N 314.429 3.144 0 40 DGAB CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C1(C)C 76091762 CIDHKVCFDRWDGB-ZIBATOQPSA-N 311.451 3.015 0 40 DGAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccccc1 486057 BEWLTTITMKHYGW-QGZVFWFLSA-N 317.348 3.061 0 40 DGAB biogenic NC(=O)c1cccc(-c2nc(-c3ccc4c(c3)OCO4)cs2)c1 32935925 ZXQNLWDGEPBGJI-UHFFFAOYSA-N 324.361 3.305 0 40 DGAB CCOc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 10001315 XYRSOTNLOOIJRI-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB O=C(O)c1cccnc1SC[C@@H]1CCN2CCCC[C@@H]2C1 33435715 COBPHAAHWZRDCH-CHWSQXEVSA-N 306.431 3.136 0 40 DGAB Cc1cccc(CN2[C@H]3COC[C@H]2CC(Oc2cccnc2)C3)c1 106933347 ZVZVBKZZGBDCKM-QZTJIDSGSA-N 324.424 3.201 0 40 DGAB O=C(NC[C@H](O)c1ccccc1)Nc1cccc2cnccc12 43162511 BJDJMDBPFQMCRI-KRWDZBQOSA-N 307.353 3.090 0 40 DGAB Cc1noc(C)c1C[S@@](=O)c1ccc(Br)cc1 1383192 HATTUPVLEWBXSN-KRWDZBQOSA-N 314.204 3.362 0 40 DGAB O=C(Nc1ccnc(-c2cccnc2)n1)c1ccc(Cl)cc1 1403176 JUGKVXAKOKBFTH-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB Cc1sc2c(c1C)C(=O)N/C(=C(/C#N)C(=O)c1ccccc1)N2 3285387 GDLYCXPUYLADJR-NTCAYCPXSA-N 323.377 3.138 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)[C@@H](C)n1nc(C)cc1C 58265947 DUYBXNFTKFZHDN-CQSZACIVSA-N 313.401 3.049 0 40 DGAB CC[C@@H]1CCCN(C(=O)CCc2nc(-c3ccsc3)no2)C1 44918917 NSPCNVRQHAWOKB-GFCCVEGCSA-N 319.430 3.379 0 40 DGAB COc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)c(F)c1 44917882 CQUBCRVKUXBEBZ-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB CCCCc1nc(C)c(C(=O)NC2(C(=O)O)CCCCC2)s1 58365124 ALAYJYPKNTVZQG-UHFFFAOYSA-N 324.446 3.311 0 40 DGAB Cc1cccc2nc(C(=O)Nc3ccc4oc(=O)ccc4c3)cn12 58425085 BLZFNIRALZDHBK-UHFFFAOYSA-N 319.320 3.001 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2occc2n1C 36357198 OOVNCEUNCYEIKL-UHFFFAOYSA-N 300.362 3.418 0 40 DGAB O=C(Nc1ccc(F)cc1)Nc1ccccc1C(=O)NC1CC1 8405295 HKZVIKUWPZBTNN-UHFFFAOYSA-N 313.332 3.362 0 40 DGAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@@H]1CCCO1 69580783 FDQPTIRSDLPHBF-AWEZNQCLSA-N 302.305 3.131 0 40 DGAB Cc1nc(C(=O)NCc2cccnc2)c(-c2ccccc2)s1 62630514 UJAGQPLJGGEXKO-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB C[C@H](NC(=O)Cc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12976624 MARLSHBXVMTHLD-LBPRGKRZSA-N 315.344 3.017 0 40 DGAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 23038735 GLOROTYWQUHBKO-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCOc1ccccc1NC(=O)C[C@H](C(=O)O)c1ccccc1 13253669 VGLMKQBGKBQGMK-AWEZNQCLSA-N 313.353 3.282 0 40 DGAB Cc1csc([C@H]2CN(c3ncnc4sccc34)CCO2)n1 65466149 SUQRDFKBLLWLTN-LLVKDONJSA-N 318.427 3.034 0 40 DGAB CC(C)CN(C)C(=O)Nc1cccc(Oc2ncccn2)c1 65593447 WPZYRRYGOUHZFG-UHFFFAOYSA-N 300.362 3.389 0 40 DGAB O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@H]1c1ccccc1 14101229 HVKLMQXDPOAGON-CQSZACIVSA-N 322.817 3.261 0 40 DGAB O=C(O)C1=C[C@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4635560 RTUNNTLFYHJKAN-OAHLLOKOSA-N 309.300 3.159 0 40 DGAB CC1CCC(NC[C@H](O)COCc2ccc(Cl)cc2)CC1 6626693 XNAUUUQEFOMMGM-IMRCBTMISA-N 311.853 3.386 0 40 DGAB O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(F)cc(F)c1 28794330 JAGAXEUGKURVGE-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB C[C@@H](Cn1cccn1)NCc1cn2cc(Cl)cc(Cl)c2n1 69389869 XOBDYYBTLAHONS-JTQLQIEISA-N 324.215 3.016 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cc(N)ccc1OC 19736206 SJMRJWAUNHWQAM-OAHLLOKOSA-N 300.358 3.074 0 40 DGAB CCCN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O 9683473 WBQBWTZQDLNTTF-IBGZPJMESA-N 308.381 3.086 0 40 DGAB O=C(NC(c1cccs1)c1cccs1)N[C@@H]1CCCOC1 72291922 BYHKYYYZUOFZBT-LLVKDONJSA-N 322.455 3.377 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72298672 PPAXYXPELBZGIZ-UONOGXRCSA-N 308.447 3.117 0 40 DGAB CCNC(=O)c1cccc(C)c1OCCc1scnc1C 78991553 NTGODJXHPYNNEW-UHFFFAOYSA-N 304.415 3.131 0 40 DGAB COC(=O)C[C@@H](NC(=O)Nc1cccc2ccccc12)C1CC1 79058505 QJVILMDCRRZZGD-MRXNPFEDSA-N 312.369 3.303 0 40 DGAB C[C@@H](CNC(=O)N(C)C1CCC(CO)CC1)c1ccsc1 95430534 OOKJMVVDYVCRQK-OPFPJEHXSA-N 310.463 3.044 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89625592 YBQHMLYGSALFJU-GFCCVEGCSA-N 308.790 3.090 0 40 DGAB C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)s1 89627936 KWHCXNLXSXQJLA-VIFPVBQESA-N 309.884 3.265 0 40 DGAB C[C@H](NCc1cccc(-n2cncn2)c1)c1ccc(Cl)nc1 89905006 WDBWGKGXRJFJCF-LBPRGKRZSA-N 313.792 3.167 0 40 DGAB COc1ccc(CN(C)Cc2ccc3c(c2)OCCO3)cc1F 42366856 VGDQFFHNSVMMJY-UHFFFAOYSA-N 317.360 3.238 0 40 DGAB Cc1ccccc1NC(=O)C(=O)NCCCCc1ccccc1 408707797 QUGOYJOWCQOBSP-UHFFFAOYSA-N 310.397 3.073 0 40 DGAB O=C(NC[C@H]1CC[C@H](O)C1)Nc1ccc(OC2CCCC2)cc1 189537488 DMEQEVNEFUJCMB-ZFWWWQNUSA-N 318.417 3.291 0 40 DGAB CC(C)n1c(SCC(=O)O)nnc1-c1cc2ccccc2o1 72328126 OBBKNSWIZCKYEI-UHFFFAOYSA-N 317.370 3.449 0 40 DGAB Cc1cccc(NC(=O)CCn2cnc3cc(C(=O)O)ccc32)c1 575444821 TZBVGNQLBFOUIQ-UHFFFAOYSA-N 323.352 3.072 0 40 DGAB COCCNC(=O)c1ccc(Nc2cccc(Cl)c2)c(N)c1 225423581 MWTPXYOLHJKXJO-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB CNC(=O)c1ccc(OC)c(COc2ccccc2Cl)c1 224130916 KJYHZVFMSWBQRP-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CNC(=O)c1cccc(CN[C@H](CC(C)C)c2ccccn2)c1 95420945 VOQHTCOJUZRWCT-GOSISDBHSA-N 311.429 3.318 0 40 DGAB COC[C@@](C)(NCc1ccc(O)c(OC)c1)c1ccccc1 194992790 XKZIDWHDMHBMRP-GOSISDBHSA-N 301.386 3.052 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1ccc2ccn(C(C)C)c2c1 95476253 ORHVKQRHKCNMIH-KRWDZBQOSA-N 313.445 3.436 0 40 DGAB COc1c(F)cc(NC(=O)N[C@H]2CC[C@@H](SC)C2)cc1F 96434195 JRBIOIKDHGBJNE-WCBMZHEXSA-N 316.373 3.379 0 40 DGAB CCCc1occc1C(=O)Nc1cccc(F)c1-c1nc[nH]n1 252479676 BJSSCVBWYCAGHB-UHFFFAOYSA-N 314.320 3.409 0 40 DGAB COc1ccc([C@@H](C)[C@@H](C)NC(=O)CCc2ccncc2)cc1 584907247 UVPCSBQWOWQKMC-LSDHHAIUSA-N 312.413 3.331 0 40 DGAB c1ccc(CO[C@@H]2CCCC[C@@H]2N2CCN[C@H]3CCC[C@@H]32)cc1 252513888 AOIYHYXUOPSXOB-LWYYNNOASA-N 314.473 3.341 0 40 DGAB CCCn1c(C)nnc1CN1CCC[C@H](Cc2ccccc2)C1 378310552 GGPUHZNOTTXUGE-GOSISDBHSA-N 312.461 3.451 0 40 DGAB CSc1c[nH]nc1NC(=O)CCc1c[nH]c2ccccc12 79054480 ZFVIGMJSPBHVQM-UHFFFAOYSA-N 300.387 3.184 0 40 DGAB COc1ccc(SCC(=O)NCCc2ccccc2)cc1 15519602 QGZNUGHDKFWRPI-UHFFFAOYSA-N 301.411 3.146 0 40 DGAB CCOc1c(Br)cc(/C=C(/C)[N+](=O)[O-])cc1OC 17141429 WMDGAAGZPCMZKE-YVMONPNESA-N 316.151 3.494 0 40 DGAB Cc1c(-c2ccccc2)nn2c(O)cc(-c3ccncc3)nc12 19557609 KMIOCUZEHOFFJH-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB O=C(O)CSc1n[nH]c(-c2ccc(-c3ccccc3)cc2)n1 205447144 VYNJXUUTGUCWTD-UHFFFAOYSA-N 311.366 3.315 0 40 DGAB CC(C)OC[C@@H](O)CN(Cc1ccccc1)Cc1ccco1 36103234 IJGZAKAHXNDZHM-KRWDZBQOSA-N 303.402 3.068 0 40 DGAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCc2ccccc21 14847992 XWLRGMUMNVQOOV-UHFFFAOYSA-N 303.365 3.004 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCS[C@@H](c2ccccc2)CC1 206988618 YSAYHXHLFMMOCK-OAHLLOKOSA-N 321.442 3.035 0 40 DGAB CCc1ccccc1NC(=O)Cc1csc(NC(=O)OC)n1 12440367 JXACBUGIGOVWOG-UHFFFAOYSA-N 319.386 3.065 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NC[C@@H]1Cc2ccccc2O1 40074533 AKVFWWHKORTYIO-INIZCTEOSA-N 320.392 3.220 0 40 DGAB CCn1c(=O)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 40050541 BBPMIZWKSOBSCH-INIZCTEOSA-N 316.788 3.210 0 40 DGAB O=c1c(Cl)c(Cl)cnn1CCCOc1ccc(F)cc1 40456876 NGERSZUVYSVECH-UHFFFAOYSA-N 317.147 3.158 0 40 DGAB C[C@@H](NC(=O)c1ccsc1)c1ccc2c(c1)CCC(=O)N2 40553560 MFPALMKWIDDTPX-SNVBAGLBSA-N 300.383 3.124 0 40 DGAB Cc1nnc(NC(=O)[C@H](C)Oc2ccc(Cl)cc2C)s1 141477 KZYQGLJXPFCQIB-QMMMGPOBSA-N 311.794 3.214 0 40 DGAB CN(c1ccc(F)cc1)c1cn2c(nc(=O)n2C(C)(C)C)s1 405700 PJJXDQBBBJZFAR-UHFFFAOYSA-N 320.393 3.220 0 40 DGAB Cc1cc(NC(=O)c2cccc3c2-c2ccccc2C3=O)no1 17025670 MUPFISUZJCGRRL-UHFFFAOYSA-N 304.305 3.447 0 40 DGAB C[C@H]1[C@@H](OC(=O)CSc2nncs2)C[C@H]2C[C@H]1C2(C)C 102140479 HCDFNNFXTGQEET-DBIOUOCHSA-N 312.460 3.244 0 40 DGAB COCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 69464075 IATSXCDXAGXLIZ-CYBMUJFWSA-N 301.308 3.405 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1C(=O)NC1CC1 102417576 RTPOOPLWCICDPB-IHRRRGAJSA-N 312.413 3.344 0 40 DGAB C[C@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12 4983597 FOMMZXSAOZSXPW-NNRKOQHJSA-N 303.446 3.179 0 40 DGAB S=C(NCCSCc1ccco1)N[C@H]1C[C@H]2CC[C@@H]1C2 6335758 YFTLTNFONGJKFN-SCRDCRAPSA-N 310.488 3.166 0 40 DGAB COCC(=O)NC[C@H]1CC2c3ccccc3C1c1ccccc12 32906891 QISQBCKXVFJINA-PDYKDVAVSA-N 307.393 3.046 0 40 DGAB C[C@H](CNC(=O)/C=C/c1cccs1)N1CCc2ccccc21 33055360 UQWRKOMWVZVDPM-MYSGNRETSA-N 312.438 3.329 0 40 DGAB Cc1cccc([C@H](C)OC(=O)c2ccc(CS(C)(=O)=O)o2)c1 76017917 AZZGCBAUBLLICU-LBPRGKRZSA-N 322.382 3.051 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 102819174 VLFMGDCSPKURTN-RDBSUJKOSA-N 315.413 3.268 0 40 DGAB C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3ccccc3F)CC2)C1 783015 OSVKRSHERBDJFS-HUUCEWRRSA-N 304.409 3.162 0 40 DGAB CCc1noc(COc2cc3oc(=O)cc(C)c3cc2Cl)n1 22750616 FYYHBOUSBTWGDS-UHFFFAOYSA-N 320.732 3.279 0 40 DGAB Cc1cc(C)n(CCCNC(=O)c2cccc(-n3cccc3)c2)n1 23246554 LKRYZQLXVILBBN-UHFFFAOYSA-N 322.412 3.111 0 40 DGAB COc1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 104712375 NQHTVOXPZRAHMH-AEGPPILISA-N 303.402 3.146 0 40 DGAB Cc1ccsc1CN(C)C(=O)c1ccc2c(c1)OCCCO2 47532284 ZSMXKAZXGVHDSG-UHFFFAOYSA-N 317.410 3.490 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1)c1ccccc1 12579768 YWBHADZSQVRDFG-MRXNPFEDSA-N 306.369 3.331 0 40 DGAB COc1cc(F)ccc1NC(=O)NCCCN1CCC[C@@H](C)C1 44213389 YWYOHDGNCRVYED-CYBMUJFWSA-N 323.412 3.078 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1 3277869 NAWFAHJZVQYELZ-AWEZNQCLSA-N 322.408 3.275 0 40 DGAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](C)C2 2093188 JFJZFGHZQFWUHG-SNVBAGLBSA-N 308.447 3.491 0 40 DGAB Cc1cccc2c1N[C@H](c1cc(Br)co1)NC2=O 58263804 CJHJIYJDHFCPFG-LBPRGKRZSA-N 307.147 3.205 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)N(C2CCCCC2)C2CC2)c1C 58427894 MSUNKKVIBODVHL-UHFFFAOYSA-N 318.417 3.355 0 40 DGAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1Cl)C2=O 3396904 JDEMWPQGDPHINM-BDJLRTHQSA-N 306.793 3.341 0 40 DGAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(F)c(F)c1 28781175 NIZUJCZSFOLPQO-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB C[C@@H](c1ccc(C(F)(F)F)cc1)N1CCC(CC(N)=O)CC1 69518649 SUXAXPVCYOOIRO-NSHDSACASA-N 314.351 3.354 0 40 DGAB CCC[C@@H](C)N(C)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 48386922 UQBZNWRRNFXRMY-LLVKDONJSA-N 307.394 3.306 0 40 DGAB COc1ccc(OCC(=O)N[C@H]2CCCc3ccccc32)cc1 3606560 PWXXHHBTGJPXRR-SFHVURJKSA-N 311.381 3.268 0 40 DGAB COC(=O)c1[nH]nc(-c2ccc(Cl)cc2)c1Br 38478440 IHXMTAMUFXSLOT-UHFFFAOYSA-N 315.554 3.279 0 40 DGAB CCCC(CCC)S(=O)(=O)Cc1nc(-c2ccco2)no1 63928034 YXVLEEGHDIDXBZ-UHFFFAOYSA-N 312.391 3.213 0 40 DGAB CC[C@@H](C)NC(=O)COC(=O)Cc1coc2cc(C)c(C)cc12 4493516 QBUNAHZWJIITSJ-CYBMUJFWSA-N 317.385 3.050 0 40 DGAB Cc1csc2nc(CNc3cccc4c3ccn4C)cc(=O)n12 65551596 UFYBQHNHMDBQQD-UHFFFAOYSA-N 324.409 3.168 0 40 DGAB Cc1cccc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1C 65734190 GZMWHYZAUUGRJD-UHFFFAOYSA-N 309.417 3.371 0 40 DGAB in-vitro COc1ccc(Cl)cc1NCc1cc(=O)n2ccsc2n1 14200623 CAKOCYBATFOVEQ-UHFFFAOYSA-N 321.789 3.030 0 40 DGAB O=C(c1ccccc1)c1ccc2nc(Cl)c3nncn3c2c1 4885635 YIKBRMMTJXSVEC-UHFFFAOYSA-N 308.728 3.162 0 40 DGAB CCc1ccc2oc(C(=O)NCc3ccccc3)cc(=O)c2c1 6811278 PIGAQEYTSNFXIM-UHFFFAOYSA-N 307.349 3.285 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)on2)cc1Br 8982320 JVJLJFZZYIIDMI-UHFFFAOYSA-N 311.135 3.006 0 40 DGAB CCn1nnc2cc(C(=O)N[C@H](C)CCc3ccccc3)ccc21 15563732 WGBPLYNFBUBJHX-CQSZACIVSA-N 322.412 3.202 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cc(=O)[nH]c2ccccc12 7725558 CBLQMFQQWDVVHC-UHFFFAOYSA-N 308.337 3.097 0 40 DGAB CCCc1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 7942972 WTCMUHQXWMDRBR-UHFFFAOYSA-N 307.353 3.128 0 40 DGAB Cc1csc([C@H](C)NC(=O)N[C@@H](C)c2nc(C)cs2)n1 69218682 FRQPSKCXABOZDM-UWVGGRQHSA-N 310.448 3.338 0 40 DGAB Cc1ccc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cc(=O)n2c1 8266472 ZDBMWOCLZKODTH-HZPDHXFCSA-N 311.429 3.015 0 40 DGAB COc1cc(C)ccc1OCCC(=O)N1C[C@H]2CCC[C@@H]2C1 96462195 WWZHIFRHDRKTNQ-HUUCEWRRSA-N 303.402 3.031 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Nc1nc2c(s1)CCC2 9514166 IOHIJUASZGHVHP-UHFFFAOYSA-N 314.410 3.138 0 40 DGAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)[C@H]2CCOC2)s1 71883185 ANHVUNMVPXGZSP-STQMWFEESA-N 317.414 3.055 0 40 DGAB C[C@H](Nc1cccc(C(N)=O)c1)c1nnc(-c2ccccc2)o1 9866897 XNIFLPCITCSGMY-NSHDSACASA-N 308.341 3.009 0 40 DGAB Cc1ccc(C[C@H](NC(=O)Nc2cn[nH]c2)c2ccccn2)cc1 71909167 JYQMROWZIWULKR-KRWDZBQOSA-N 321.384 3.219 0 40 DGAB CCc1n[nH]c(SCc2coc(-c3cccc(F)c3)n2)n1 26119169 KRUIKQSOBHVFAG-UHFFFAOYSA-N 304.350 3.454 0 40 DGAB C[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1)c1cccs1 97017487 CMUHGFYGNIOKOS-GWCFXTLKSA-N 321.373 3.323 0 40 DGAB CO[C@H](C(=O)N[C@H](c1nccs1)C1CC1)c1ccccc1 97059469 AFMNHDFOCNOIJJ-KBPBESRZSA-N 302.399 3.098 0 40 DGAB Cc1cccc2c1C(=O)N[C@@H](c1c(C(C)C)nn(C)c1Cl)N2 84229724 CFJWSYFFPYITCX-HNNXBMFYSA-N 318.808 3.359 0 40 DGAB CS(=O)(=O)Cc1ccccc1NCCc1ccccc1F 97162702 MERSVACELIECPQ-UHFFFAOYSA-N 307.390 3.025 0 40 DGAB Cc1ccc2cc(C(=O)N3CCOC[C@@H]3c3cccn3C)[nH]c2c1 97162829 OYZDWNUPACGHCN-GOSISDBHSA-N 323.396 3.029 0 40 DGAB CC(C)n1ncc2c1[C@H](NC(=O)N(C)Cc1ccco1)CCC2 97143549 SBGGJYMMYJSKTG-OAHLLOKOSA-N 316.405 3.276 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccsc2)cc1Cl 72301174 GZIGFMRZMJPYKF-UHFFFAOYSA-N 303.792 3.211 0 40 DGAB COCc1ccc(C(=O)N(C)CCCOc2ccc(F)cc2)o1 97261571 WHWXXUGSJNSPPA-UHFFFAOYSA-N 321.348 3.106 0 40 DGAB O=C(NCc1ccccc1N1CCCC1)[C@H]1C[C@@H]1c1ccco1 84504764 ODDZSQPYVBOXFE-HOTGVXAUSA-N 310.397 3.300 0 40 DGAB COc1ccccc1CN(CCO)Cc1cccc2cccnc12 95349661 CDIXEFFQPAHJAC-UHFFFAOYSA-N 322.408 3.238 0 40 DGAB CNc1nc(CNC(=O)Nc2ccccc2SC)cs1 79062345 XIIWEUDRLUYZFQ-UHFFFAOYSA-N 308.432 3.228 0 40 DGAB O=C(NC[C@H]1CCCS1)c1sccc1Br 79093368 KBBJKLWYXJCYNG-SSDOTTSWSA-N 306.250 3.136 0 40 DGAB O=C(C[C@@H]1CCCc2ccccc21)N1CCCC[C@H](CO)C1 95430140 XPIASBRTLZYMPZ-RDJZCZTQSA-N 301.430 3.118 0 40 DGAB O=S(=O)(CC1CCC1)Nc1ccc(F)cc1C(F)(F)F 95466423 CFSBWIZLGOWTQF-UHFFFAOYSA-N 311.300 3.386 0 40 DGAB Cc1cccc2c1[C@H](C)C[C@@H]2NCCc1nnc2ccccn12 95982147 UGUQAWRNSVXFFL-ZBFHGGJFSA-N 306.413 3.418 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2)s1 89406862 PUUQALATPYFZTJ-NEPJUHHUSA-N 319.357 3.416 0 40 DGAB C[C@@H](NC(=O)CC[C@H]1CCCO1)c1ccc(-n2cccn2)cc1 75347577 KBHCMXBYTXMZHU-RHSMWYFYSA-N 313.401 3.009 0 40 DGAB C[C@H]1CN(C)CCN1[C@@H](C)c1nnc(-c2cccc(Cl)c2)o1 89938894 FWOZSCZVIKOMRB-RYUDHWBXSA-N 320.824 3.087 0 40 DGAB CC[C@H](S[C@@H](C)c1nc(-c2ccccc2C)no1)C(N)=O 89941844 KRYALCSNDKYLTO-JQWIXIFHSA-N 305.403 3.103 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCOc1ccc(Cl)cc1 23746401 AYELJBZSMAAMCJ-CYBMUJFWSA-N 319.788 3.303 0 40 DGAB Clc1ccc(OCC2CCNCC2)c(Br)c1 38580892 QJWUPAMIDAFNGD-UHFFFAOYSA-N 304.615 3.481 0 40 DGAB CC(C)[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 513341632 XHRRKBZIRJIGTL-INIZCTEOSA-N 301.430 3.449 0 40 DGAB CCOc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2occc12 72240148 JVFGPHHEKUGSHU-VXGBXAGGSA-N 303.358 3.081 0 40 DGAB O=C(Cc1ccccc1F)NC1(c2ccccc2)CCOCC1 78997005 JGZREASBTOEHOB-UHFFFAOYSA-N 313.372 3.190 0 40 DGAB CCCCOc1ccc(-c2[nH]ncc2C(=O)N2CCCC2)cc1 71011154 NGVYRJGULMOGHY-UHFFFAOYSA-N 313.401 3.492 0 40 DGAB CC(=O)N1CCC(Cc2ccnc(-c3cccc(CO)c3)c2)CC1 72365864 FBUHQDMBOODVLW-UHFFFAOYSA-N 324.424 3.042 0 40 DGAB CCN(Cc1ccc(Cl)c(Cl)c1)C(=O)[C@@H](N)C(C)C 79420380 LWDOASLJBLCVNY-ZDUSSCGKSA-N 303.233 3.325 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Oc2ccc(C)c(C)c2)s1 39989073 NEIGJDQXGILWSY-JTQLQIEISA-N 323.443 3.283 0 40 DGAB CCn1nc(C)cc1C(=O)NCc1coc(-c2ccc(C)cc2)n1 73301040 UCBJJXGJZBGFFO-UHFFFAOYSA-N 324.384 3.105 0 40 DGAB COc1ccncc1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 79040007 XBARXPWEBRWCPO-VIFPVBQESA-N 324.739 3.289 0 40 DGAB CCOCCCNC(=O)CSCc1cccc(Cl)c1 41590724 BALLXQATNOZEKM-UHFFFAOYSA-N 301.839 3.116 0 40 DGAB COCc1ncsc1C(=O)N(C)[C@H](C)Cc1ccccc1C 225462820 BHGIGLPIBJYQCO-CYBMUJFWSA-N 318.442 3.301 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NC1CCCC1 223900636 WLMQXNZYAAOWFI-CYBMUJFWSA-N 320.408 3.012 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1cccc(F)c1 49796665 ZBMDFAZEJSTMBK-SNVBAGLBSA-N 305.353 3.333 0 40 DGAB FC(F)n1ccnc1CNc1ccc(-n2cncn2)c(Cl)c1 85275399 BFTHTYZSHXEDTD-UHFFFAOYSA-N 324.722 3.124 0 40 DGAB Cc1nc(C(C)C)oc1C(=O)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 328925024 NYIKFOLFGZHXMF-OCCSQVGLSA-N 316.405 3.026 0 40 DGAB Cc1nc(N)sc1-c1nc(-c2cccc(OC(F)F)c2)no1 89263110 VWHBBNLKFLGSIJ-UHFFFAOYSA-N 324.312 3.352 0 40 DGAB O=C(c1cccs1)c1ccc(CNC(=O)C2CCC2)s1 85474126 XTNAHXCVYUPKGV-UHFFFAOYSA-N 305.424 3.457 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C1=O)[C@@H]1C[C@H]31 226254740 CXJSEJWMMXJMDC-WIYAMZDGSA-N 313.784 3.206 0 40 DGAB CC1CCN(C2CCC(N[C@@H]3C[C@H](C)N(C)C[C@@H]3C)CC2)CC1 90775392 BVJNWHFPUQUQPY-UILHHMQZSA-N 321.553 3.348 0 40 DGAB COC[C@H]1CC2(CCN(Cc3ccc(C)o3)CC2)CN1C(C)C 96051752 JLBACAKNVDPQHB-QGZVFWFLSA-N 320.477 3.299 0 40 DGAB O=C(c1cc(-n2cccn2)ccn1)N(CC1CC1)C1CCCCC1 96412008 ZWQOKVIJLFWDEL-UHFFFAOYSA-N 324.428 3.452 0 40 DGAB COC[C@@H](C)CN(C)C(=O)c1cc(C(F)(F)F)ccc1F 97228022 ZSOSHGDNSBVHRW-VIFPVBQESA-N 307.287 3.199 0 40 DGAB COC(=O)[C@H]1CCC[C@@H]1C(=O)c1ccc(Br)cc1 98088145 XKJACWYQAFNKQK-RYUDHWBXSA-N 311.175 3.221 0 40 DGAB Cn1ccc(C(=O)N(c2ccccc2F)C2CCCC2)cc1=O 96427057 PUGQTKGDMDBNDN-UHFFFAOYSA-N 314.360 3.114 0 40 DGAB COc1ccncc1NC(=O)[C@H](C)CCOc1ccccc1 96443666 JVYMBKQAWVYAFV-CYBMUJFWSA-N 300.358 3.134 0 40 DGAB Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 245240033 JZLKIRNVVWNSLK-YTGMWSOZSA-N 303.446 3.149 0 40 DGAB COc1cc2c(cc1OC)CN(c1ccccc1C(C)=O)CC2 256052607 NZSIDPNHFDGLII-UHFFFAOYSA-N 311.381 3.469 0 40 DGAB CN(C)c1ccnc(NC(=O)N2CCC[C@H]2CC2CCCC2)n1 654029266 ORQUMWMWUGONNZ-AWEZNQCLSA-N 317.437 3.119 0 40 DGAB C[C@H](c1cc(F)ccc1F)N1CCN(C(=O)c2ccoc2)CC1 56491826 HWYMUPZPXKPDRH-GFCCVEGCSA-N 320.339 3.077 0 40 DGAB CCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c(C)c1 78993351 USLMYNWKEOCNTE-CJNGLKHVSA-N 306.406 3.066 0 40 DGAB C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(-c2cnco2)cc1 79105919 OCXHEHOEGNDMFW-LBPRGKRZSA-N 324.336 3.326 0 40 DGAB O=C(O)c1nn(-c2cc(Cl)c(Cl)cc2Cl)cc1O 36666903 HEHODTXZHOSVAM-UHFFFAOYSA-N 307.520 3.236 0 40 DGAB in-vitro Cc1ccccc1[C@H](CO)N[C@@H]1CCC[C@@H](c2ccnn2C)C1 579313818 SFGZCAJXQWSGJJ-NUJGCVRESA-N 313.445 3.078 0 40 DGAB Cc1ccc([C@@H]2CSCCN2Cc2nnsc2Cl)o1 76011339 DTKMAXPYMVXEMO-JTQLQIEISA-N 315.851 3.383 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1OC 70829 QFRVCEFKFXMFDJ-XNTDXEJSSA-N 323.348 3.357 0 40 DGAB COc1ccccc1CN1CCC[C@H](COc2ccncc2)C1 1775975238 DKMXAIIOGMSIGW-INIZCTEOSA-N 312.413 3.381 0 40 DGAB CCOc1ccc([C@H]2NC(=O)c3ccccc3O2)cc1OCC 5001191 FYGJJTBEBZROCJ-SFHVURJKSA-N 313.353 3.305 0 40 DGAB Cc1cnc(C(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 12361821 FZJCDCWDJFIUDD-UHFFFAOYSA-N 301.777 3.248 0 40 DGAB O[C@@H](c1ccccc1)c1cc2c(cc1Br)OCCO2 12860381 NSGVJZXBLAGRLM-HNNXBMFYSA-N 321.170 3.302 0 40 DGAB Cc1ccc(C2(C(=O)N[C@H](C)c3ccccn3)CCOCC2)cc1 19658159 XBJLMKAREKWKTA-MRXNPFEDSA-N 324.424 3.316 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2ncc(C)s2)c1OC 3555885 ZUJUMPIMVBBHPU-BQYQJAHWSA-N 304.371 3.121 0 40 DGAB CN(C(=O)Cc1cccc(OC(F)(F)F)c1)c1ccccn1 155731532 CENVFOCINAIHBQ-UHFFFAOYSA-N 310.275 3.186 0 40 DGAB C[S@](=O)C[C@H](NCc1cccc2[nH]ccc12)c1ccccc1 154694470 XQWXQGFOMPRAOV-PGRDOPGGSA-N 312.438 3.377 0 40 DGAB CC(C)N1CCC(CNC(=O)Cc2ccc(Cl)cc2)CC1 11027405 ZGBOAJRHYQZZKN-UHFFFAOYSA-N 308.853 3.119 0 40 DGAB Cc1ccc(CSc2nnc(Cc3ccccc3C)n2N)cc1 226299315 NSEAZYSEYOLQCF-UHFFFAOYSA-N 324.453 3.492 0 40 DGAB O=C(O)c1c(F)c(Br)cc(C(F)(F)F)c1F 258834502 PGZPKNDWISATNE-UHFFFAOYSA-N 304.996 3.444 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1ccc2ccccc2c1 3191194 MUEDNTQLMSEIBH-UHFFFAOYSA-N 302.337 3.223 0 40 DGAB Cc1nc(C)c(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)s1 1888834052 WVUOHMXHKRLLSH-KBPBESRZSA-N 302.447 3.325 0 40 DGAB CCn1c(SCCC(=O)Nc2ccccc2)nnc1C1CC1 31756229 TVRDLSLIHIEQLM-UHFFFAOYSA-N 316.430 3.296 0 40 DGAB CN(C)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 2641567 LDHUOUPWYBILKO-UHFFFAOYSA-N 314.370 3.116 0 40 DGAB Cc1cc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)c(C)o1 225607602 RHCYFHCWIIVNJI-HNNXBMFYSA-N 307.777 3.403 0 40 DGAB O=C(O)c1cccc(P(c2ccccc2)c2ccccc2)c1 114978504 KXILNLYMPCMVPK-UHFFFAOYSA-N 306.301 3.143 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)N1CCc2ccccc2C1 50168299 MEBWNRFIQJEJDM-ZDUSSCGKSA-N 300.427 3.447 0 40 DGAB COc1ccc(CCC(=O)Nc2cc(=O)oc3ccccc23)cc1 100791418 AULNUPHLHXZYPV-UHFFFAOYSA-N 323.348 3.373 0 40 DGAB biogenic CCOc1ccccc1OCC(=O)Nc1ccccc1OC 3458310 KZFPVBHFFCMPAN-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB Cc1cccc(NC(=O)CCS(=O)(=O)c2ccccc2)c1C 4348189 LKXHQOUTVTUZQZ-UHFFFAOYSA-N 317.410 3.106 0 40 DGAB CCNc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)s1 7245977 XPTNCWJZLRAHGC-UHFFFAOYSA-N 322.459 3.318 0 40 DGAB CC(C)[C@H](NC(=O)c1[nH]nc2c1CCCC2)c1cccs1 32809675 GGENTUMGPULQOI-AWEZNQCLSA-N 303.431 3.477 0 40 DGAB Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)N(C)c2ccccc2)c1C 21734568 VSIREWFUFUKEML-AWEZNQCLSA-N 315.369 3.413 0 40 DGAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)Cc1cccs1 21742388 ZKQAEPSWXXNJPW-UHFFFAOYSA-N 319.817 3.270 0 40 DGAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 10448962 VEYPCHAMOHTNTG-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB CCOCCCNc1ncnc2ccc(Br)cc12 41470836 WDXPVVZMMQGGAO-UHFFFAOYSA-N 310.195 3.231 0 40 DGAB CCn1cc(NC(=O)CCc2ccccc2Cl)ccc1=O 47181372 HBNSULUMVUBBES-UHFFFAOYSA-N 304.777 3.093 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3ccc(Cl)cn3)C(=O)[C@@H]21 59600135 CRCGYUABBKCVDK-JLUCKKNBSA-N 316.788 3.217 0 40 DGAB CC(C)CSCC(=O)Nc1cccc(N2CCCC2=O)c1 53849977 MDMLIOVRMSVLAB-UHFFFAOYSA-N 306.431 3.141 0 40 DGAB O=C(NC1CC1)c1ccc(Oc2cnc3ccccc3n2)cc1 54060936 FXKHLDSOCQQUAO-UHFFFAOYSA-N 305.337 3.314 0 40 DGAB COc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1F 47698351 NBIFVPZOXOEJEQ-LLVKDONJSA-N 303.333 3.414 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 102956431 LWLPORXSTYOEKY-BMHLXIAXSA-N 315.413 3.157 0 40 DGAB Cc1ccccc1C[S@@](=O)CC(=O)NC1CCCCCC1 24829112 URYNJCQLNIXBFQ-NRFANRHFSA-N 307.459 3.083 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 55441307 QAKBFOWCHADJLL-WBMJQRKESA-N 308.385 3.475 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(-c3ccc(F)cc3)[nH]n2)o1 25051851 WJGKLEPKIZTDBG-UHFFFAOYSA-N 313.332 3.389 0 40 DGAB NC(=O)c1cccc(CNC(=O)c2cccc(Cl)c2Cl)c1 25333111 CHHIMVMKQHAFEY-UHFFFAOYSA-N 323.179 3.022 0 40 DGAB Cc1cccc(OC(F)F)c1NC(=O)N1CCSCC1 78525343 KJXQNFJDJAHPLE-UHFFFAOYSA-N 302.346 3.177 0 40 DGAB Cc1c([C@H](C)NC(=O)NC2CCN(C)CC2)oc2ccccc12 56794416 DGNHRUZTAMGVQT-ZDUSSCGKSA-N 315.417 3.196 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cn3)C(=O)[C@H]21 102361226 CRCGYUABBKCVDK-UOVKNHIHSA-N 316.788 3.217 0 40 DGAB COc1c(C)cnc(CSc2nnc(NC3CC3)s2)c1C 78709088 WEBNCGYUMGYENR-UHFFFAOYSA-N 322.459 3.425 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cccnc2Cl)c1C 3397100 NJPWDQUCYLBBMJ-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1ccccc1-c1nc(CN2CCN3CCC[C@@H]3C2)cs1 23477151 HXIJVPNDCCJIQY-MRXNPFEDSA-N 313.470 3.399 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)CCCc1c[nH]c2ccccc12 44670855 HUDDAKGMPHFFKG-MRXNPFEDSA-N 313.445 3.091 0 40 DGAB Cc1ccsc1CNC(=O)C[C@@](C)(C(=O)O)c1ccccc1 28901164 UAYQVAJPZLALRJ-QGZVFWFLSA-N 317.410 3.105 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)c1 12906351 HAAZUNPTYMMDAQ-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3occc32)cc1C 12982819 GBIAPMZTUOSAJU-OAHLLOKOSA-N 305.399 3.252 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@H]2C)cc1 8328272 SDAWAFPNWRNNSF-IIYDPXPESA-N 317.433 3.140 0 40 DGAB Cc1ccnc2c(N3C(=O)[C@H]4CC=CC[C@]4(C)C3=O)cccc12 26503882 YPLYKJQCTIPVQH-KUHUBIRLSA-N 306.365 3.389 0 40 DGAB CC(C)C[C@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)O 5254797 HVEBADSBAWLWGN-NSHDSACASA-N 302.733 3.100 0 40 DGAB Cn1c(SCc2ccc(Cl)c(Cl)c2)nccc1=O 5423945 IVHRKJFRHRWZSX-UHFFFAOYSA-N 301.198 3.379 0 40 DGAB Cc1ccccc1CSc1nnc(-c2ccoc2C)n1N 6507940 PQONSGRTIBFYGU-UHFFFAOYSA-N 300.387 3.161 0 40 DGAB CN(Cc1ccco1)C(=O)/C=C/c1ccc(N2CCCC2=O)cc1 14409319 KOKAJIVCHMZPSX-DHZHZOJOSA-N 324.380 3.078 0 40 DGAB O=c1nc(SCc2ccccc2)nc2ccc(Cl)cn12 8716987 JJUPMFVMWYCPEZ-UHFFFAOYSA-N 303.774 3.035 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2OC)cc1 7223418 MYGLBBZAAHKBRU-LBPRGKRZSA-N 300.358 3.143 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1cc(C(F)(F)F)ccc1F 27982662 MZACXVODTQCEDJ-UHFFFAOYSA-N 315.270 3.447 0 40 DGAB Cc1n[nH]cc1CNCc1ccccc1CN1CCCC[C@@H]1C 71819592 DJRVQTGRQLOAPG-HNNXBMFYSA-N 312.461 3.382 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2c[nH]cc2C)c(OC)c1 71810509 JIXZEXGYXFNZCB-INIZCTEOSA-N 314.385 3.318 0 40 DGAB O=C(OCCCn1cccn1)c1ccc2ccc(Cl)cc2n1 83941412 PIIOFNLYUUBWKM-UHFFFAOYSA-N 315.760 3.332 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@H]1c1ccccc1 72243859 IUAYONMOXWSNHB-QWHCGFSZSA-N 309.291 3.188 0 40 DGAB CCc1nc([C@H](C)NCC(=O)Nc2ccc(Cl)cn2)cs1 97112275 MJZBUWAFHXAKHX-VIFPVBQESA-N 324.837 3.043 0 40 DGAB O=C1[C@H]2CCC[C@@H]2C(=O)N1Cc1ccc(-c2cccnc2)cc1 97117520 AEPIZAFNCOVOCI-IRXDYDNUSA-N 306.365 3.034 0 40 DGAB CC[C@H](NCc1nc(C)no1)c1nc(C(F)(F)F)cs1 97111006 NYLGHEVVAIGNIG-ZETCQYMHSA-N 306.313 3.094 0 40 DGAB Cc1c(C[S@](C)=O)cccc1NCc1cccc2c1OCO2 95429136 ZTGHTMLWKYWDIP-JOCHJYFZSA-N 317.410 3.214 0 40 DGAB O=C(/C=C/c1cscn1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 95957679 GTCHCQOZRWBHFI-NUNSBDKSSA-N 304.337 3.394 0 40 DGAB COc1ccc([C@@H]2C[C@@H](C)CN2Cc2ccc(CO)o2)cc1 95982912 CNWGDKSBDHURGX-ACJLOTCBSA-N 301.386 3.364 0 40 DGAB O=C(/C=C/c1cscn1)N[C@@H]1CCC[C@H](C(F)(F)F)C1 95957677 GTCHCQOZRWBHFI-OCIBVNFRSA-N 304.337 3.394 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]2CC=CC[C@H]2C1 95963458 XGDMAFWZYCJJJD-LZWOXQAQSA-N 303.377 3.408 0 40 DGAB CC[C@@H](C)OCc1c(I)cnn1C(C)C 408716452 NFPAQOYHUKOVAU-SECBINFHSA-N 322.190 3.384 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)c(C)c1 36635432 LWVPCFZEXWIMSJ-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1ccc([C@H]2C[C@H](C)CCN2Cc2cc(=O)c(O)co2)o1 76120581 QZROQFRMADJREK-BXUZGUMPSA-N 303.358 3.220 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccc(F)cc12 79027375 YSWFRCGDDVZCHS-OAHLLOKOSA-N 320.408 3.498 0 40 DGAB C[C@]1(Cc2ccc(F)cc2)CCCN1C(=O)Nc1ccnnc1 563859234 IHPKPKMYCZVPJF-QGZVFWFLSA-N 314.364 3.245 0 40 DGAB Cc1cc(OC[C@@H](O)CN2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 37530400 ASCOOIJCINVEAP-GUTXKFCHSA-N 311.853 3.366 0 40 DGAB COc1cccc(OC)c1OCc1cc(=O)[nH]c2ccccc12 30952675 DDRPUGIKFWHCRA-UHFFFAOYSA-N 311.337 3.124 0 40 DGAB biogenic,in-vitro CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cc(C)[nH]c1C 222861070 ARMKZEZCWXPXGF-CVEARBPZSA-N 314.458 3.409 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(Cl)c2C)C1 40096538 WQLPWAWYVRJSNX-LBPRGKRZSA-N 324.808 3.455 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)C[C@H](N)c2ccccc2)C1 225476677 BBAAIUQOKDURTP-OAGGEKHMSA-N 306.475 3.209 0 40 DGAB CCc1noc(CN(C)C(=O)[C@H](c2ccccc2)[C@@H](C)CC)n1 96408419 CZTHEDBZCOSPOC-GUYCJALGSA-N 315.417 3.420 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)Nc2c(F)cccc2F)c(C)o1 96097351 QGKVMNZXCNGJKK-CQSZACIVSA-N 324.327 3.420 0 40 DGAB CC(=O)N1CCC[C@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 96215505 MDTGNPJNVQHEEI-QGZVFWFLSA-N 324.827 3.314 0 40 DGAB CCc1cnc(NC(=O)N2CCOC[C@@H]2c2ccc(C)o2)s1 97099230 UDFHXVXKSLVJKK-GFCCVEGCSA-N 321.402 3.212 0 40 DGAB Cc1csc(N(C(=O)CCCc2ccccn2)C2CC2)n1 96418439 YXBPUSLIVYNWCU-UHFFFAOYSA-N 301.415 3.365 0 40 DGAB CC(C)n1cc(NC(=O)NC[C@@H](C)Oc2ccccc2F)cn1 96447249 LTNQPYGVWYQBJW-GFCCVEGCSA-N 320.368 3.192 0 40 DGAB CO[C@H]1CCN(c2nnc(C)s2)C[C@@H]1Cc1cccc(C)c1 96111187 XPBPMYLMAJZACB-HOTGVXAUSA-N 317.458 3.239 0 40 DGAB COc1ccc([C@](C)(O)[C@@H]2CCCN2C(=O)C=C2CCC2)cc1 583616012 CDGQIAWUMJSJQT-HKUYNNGSSA-N 315.413 3.004 0 40 DGAB Cc1cc(-c2cccc(C(=O)O)c2)nc([C@@H]2CCCCN2C)n1 257287724 PRGKTKUYOAEABL-INIZCTEOSA-N 311.385 3.307 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@@H](Cc2ccn[nH]2)C1 257207902 BJVQMPLOIBURSX-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB CC1(C)Oc2c(O)cccc2[C@@H]2OCC3(CCNCC3)C[C@H]21 257305055 SOGIOBKUCBONDW-HIFRSBDPSA-N 303.402 3.011 0 40 DGAB Cc1cc(N2CCC(Oc3cncc(Cl)c3)CC2)nc(C)n1 585092022 BGIYCVPORKXHSR-UHFFFAOYSA-N 318.808 3.190 0 40 DGAB CC(C)[C@H]1CN(C(=O)c2ccn3nccc3n2)c2ccccc21 585129773 VVYWAQCXRUDVMH-CQSZACIVSA-N 306.369 3.129 0 40 DGAB COc1cncc(CNC(=O)C[C@@H](C)Cc2cccc(F)c2)c1 585128132 SWPLOVFYRRODOR-ZDUSSCGKSA-N 316.376 3.114 0 40 DGAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccccc2)OC)c1 96389766 KOWCKUKVBFELDS-IENJSVCTSA-N 311.381 3.212 0 40 DGAB COc1cccc([C@@H](CNC(=O)c2ccc(F)cc2F)OC)c1 96389812 YNSUYNLGQZSXKT-MRXNPFEDSA-N 321.323 3.091 0 40 DGAB Cc1ccccc1NC(=O)Nc1cnn(C[C@@H]2CCCCO2)c1 390826862 CJFYWONPGOJZGX-HNNXBMFYSA-N 314.389 3.405 0 40 DGAB CCC(CC)NC(=O)Nc1ccc(OC)c(OCCOC)c1 44295761 FXAZRKLVCYEGGY-UHFFFAOYSA-N 310.394 3.031 0 40 DGAB Cc1cccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)c1 47955281 CNGQBEDKBQYGSK-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB Cc1nc(Cl)cc(NCCc2cc(F)cc3c2OCOC3)n1 58413134 WIWVWNSBZMNGLG-UHFFFAOYSA-N 323.755 3.099 0 40 DGAB Cc1cccn2c(NC(=O)[C@H]3CCOC3)c(-c3ccccc3)nc12 69327074 YZRYTOZADUVLIQ-HNNXBMFYSA-N 321.380 3.285 0 40 DGAB C[C@@H](NCC(=O)NC1CCCC1)c1ccc(-c2cccnc2)cc1 95985862 KBCWOZASMDBHQZ-OAHLLOKOSA-N 323.440 3.458 0 40 DGAB C[C@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1ccncc1 97038853 OGLILNQDAONHQJ-AWEZNQCLSA-N 312.417 3.123 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCCCN1CCc2ccccc21 105952414 IRLXGBFRTYCMHB-SZMVWBNQSA-N 312.457 3.382 0 40 DGAB O=C(c1cccs1)N1CCCSC[C@H]1CN1CCCCC1 85473276 BLBVUOMHCIFTHX-CQSZACIVSA-N 324.515 3.182 0 40 DGAB CC(C)[C@@H]1CCCN(C(=O)c2[nH]ncc2Br)CC1 95959780 AJTPAFFPMWWQKV-SNVBAGLBSA-N 314.227 3.071 0 40 DGAB N#CCn1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21 7098423 YJSRUQAMIXGWBO-KAMYIIQDSA-N 318.380 3.131 0 40 DGAB Cc1nc2nc(-c3ccccc3)nn2c(N)c1-c1ccccc1 13638090 KOLKLTJKWWFPBZ-UHFFFAOYSA-N 301.353 3.349 0 40 DGAB Cc1c[nH]c(=O)nc1SCc1cccc(C(F)(F)F)c1 15952216 NEYQMDKNTNOJTB-UHFFFAOYSA-N 300.305 3.389 0 40 DGAB O=C(NCc1ccccn1)c1cnn(-c2ccccc2)c1C1CC1 30522616 SSBJPYZNRZPHLB-UHFFFAOYSA-N 318.380 3.075 0 40 DGAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc1 238822002 CWFFMQVGCPMOTN-OAHLLOKOSA-N 316.788 3.337 0 40 DGAB CC(C)CCn1ccn(-c2ccc(C(C)C)cc2)c(=O)c1=O 2087067486 ASQCZWMYGPMQQO-UHFFFAOYSA-N 300.402 3.169 0 40 DGAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccccc2)c2c(C)cc(C)cc21 4988035 CQLUMCNOMHELKQ-FQEVSTJZSA-N 323.392 3.017 0 40 DGAB CC1CCN(CCCNC(=O)N[C@@H](C)Cc2ccsc2)CC1 50157610 CBDNATVHLONAGW-HNNXBMFYSA-N 323.506 3.100 0 40 DGAB CC(C)(C)c1n[nH]cc1[C@@H]1Nc2ccccc2C(=O)N1C1CC1 40156418 BPCRKUZTMRFFHX-MRXNPFEDSA-N 310.401 3.436 0 40 DGAB Cc1cccc2[nH]cc(C3=CCN([C@H](C)C(=O)NC4CC4)CC3)c12 40118737 DHIJWYAUWHVZSU-CQSZACIVSA-N 323.440 3.233 0 40 DGAB O=C(Nc1ccccc1)c1ccccc1NC(=O)C(F)(F)F 257187 YAUZEAQDMNGULO-UHFFFAOYSA-N 308.259 3.440 0 40 DGAB O=C(/C=C/c1ccc(Cl)c(Cl)c1)NC1CCC(O)CC1 15616678 ORMQOVFXIKEMIF-KRXBUXKQSA-N 314.212 3.426 0 40 DGAB COc1ccc(C)cc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 429519 RSDXSMRSFNWWSD-UHFFFAOYSA-N 300.358 3.403 0 40 DGAB Cc1cc(C(=O)NCCc2ccc(C(=O)O)cc2)sc1C 36908750 CRSUNVDIUGASEA-UHFFFAOYSA-N 303.383 3.036 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](n2ccnc2)C1 69848523 VTNSUADEKLCPMR-OAHLLOKOSA-N 322.368 3.015 0 40 DGAB C[C@@H]1COCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 46256653 MUCCRXXJXFPUKD-CYBMUJFWSA-N 322.364 3.356 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1nc2ccccc2s1 7473393 PMAPRGQRWKXQBF-UHFFFAOYSA-N 301.371 3.472 0 40 DGAB CC(C)(C)c1nc(SCC(=O)NC2CC2)c2ccccc2n1 1342536 AGAKNBUZQASPBY-UHFFFAOYSA-N 315.442 3.298 0 40 DGAB CCCC(=O)Nc1ccc2c(c1)CN1C(=O)c3ccccc3C1=N2 1611639 IBOAFUMBICXQKT-UHFFFAOYSA-N 319.364 3.473 0 40 DGAB CC[C@@H](C(=O)N1CCC(c2nc(C)no2)CC1)c1ccccc1 41121818 WFNYIASFEMAPEA-MRXNPFEDSA-N 313.401 3.278 0 40 DGAB C1CCN(CCSCCSCCN2CCCCC2)CC1 4743637 VRZMIMINCAYVAW-UHFFFAOYSA-N 316.580 3.425 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2O)cc1 6542958 ARRBDQIFJVIQHO-UHFFFAOYSA-N 313.353 3.311 0 40 DGAB COc1ccc(Cl)cc1Nc1nc2c(c(=O)[nH]1)CCCC2 11991458 ATDVZLGOUYHWMJ-UHFFFAOYSA-N 305.765 3.054 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 101275263 CZPRJOFKOIQBTM-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1cc(NC(=O)C(F)(F)F)ccc1NC(=O)c1ccco1 8071183 GTSTWMJXDFVXPJ-UHFFFAOYSA-N 312.247 3.341 0 40 DGAB Cc1csc(C2=C(O)CN(Cc3ccc(F)cc3)C2=N)n1 102726473 VQUYHMGPZYJLEH-UHFFFAOYSA-N 303.362 3.353 0 40 DGAB Cc1cc(C)cc(OCc2cc(=O)n3cc(C)sc3n2)c1 8603512 NRPSKFPXOXJMEI-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB COc1ccccc1N1C(=O)C[C@H](Nc2cc(C)ccc2C)C1=O 101275833 NXKNALRAZJXCJI-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB Cc1ccccc1OCn1ccc(C(=O)N2CCCC[C@H]2C)n1 27972156 DXSIFECYEDMIKY-OAHLLOKOSA-N 313.401 3.243 0 40 DGAB C[C@@H]1CN([C@H](CN)c2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 20549077 XFLUILIYAOXTNV-GPCCPHFNSA-N 303.233 3.102 0 40 DGAB O=C(CSc1ccccc1)NCCOCc1ccccc1 177076851 KGDFSOTYWUDORW-UHFFFAOYSA-N 301.411 3.112 0 40 DGAB CCCSCC(=O)Nc1ncc2c(n1)-c1ccccc1CC2 3133018 OPJDVLLBHXIBIF-UHFFFAOYSA-N 313.426 3.324 0 40 DGAB CSc1nc2ccccc2c(=O)n1-c1ccc(F)cc1F 3170126 ALKRNSYHPVTRAD-UHFFFAOYSA-N 304.321 3.386 0 40 DGAB Cn1ccnc1SCc1nn(-c2ccccc2)c2c1CCC2 60278702 NKZNFXBTLKNDDM-UHFFFAOYSA-N 310.426 3.387 0 40 DGAB O=C(NCCc1ccccn1)Nc1cccc(N2CCCCC2)c1 56528138 JGSFPXUQHLJFEJ-UHFFFAOYSA-N 324.428 3.436 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)NCc2nc(C)c(C)s2)C1 76477544 LRKMESHHZNEOMH-RYUDHWBXSA-N 313.492 3.233 0 40 DGAB Cn1nccc1C1CCN(CCCc2nc3ccccc3o2)CC1 58345489 VEHWDPALIHZQIT-UHFFFAOYSA-N 324.428 3.374 0 40 DGAB O=C(NCc1cccs1)Nc1cccnc1N1CCCC1 48172596 SOQKMIRTWDMXLA-UHFFFAOYSA-N 302.403 3.065 0 40 DGAB O=C(CN1CCCC1)N(CC(F)(F)F)c1ccc(Cl)cc1 48343355 RLJRKZHUGXWILA-UHFFFAOYSA-N 320.742 3.331 0 40 DGAB CCOC(=O)c1cccnc1NC[C@H](c1cccs1)N(C)C 48314326 UPELBQXSUOIBSU-CYBMUJFWSA-N 319.430 3.035 0 40 DGAB COCCOc1ccc([C@@H](C)NC(=O)C2CCCC2)cc1OC 48314897 KBDPDMSBDIIVML-CYBMUJFWSA-N 321.417 3.088 0 40 DGAB COc1ccc(NC(=O)CN(C)[C@@H](C)c2ccc(F)cc2)cc1 7702984 GIVPJDKRSKOPMW-ZDUSSCGKSA-N 316.376 3.466 0 40 DGAB COc1ccc(C2=NN=C(NC3CCCC3)SC2)cc1OC 7849963 KLZYEFCGQPKWFI-UHFFFAOYSA-N 319.430 3.043 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@@H]2C)c1C 21875438 PLSHSHYPRLZHOF-GWCFXTLKSA-N 306.406 3.117 0 40 DGAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@@H]1CCCO1 69533165 OLQQBLWUQZGRGG-YJBOKZPZSA-N 310.397 3.350 0 40 DGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC1CCCCC1 14139545 DGRSCLBEFRPGNQ-JLHYYAGUSA-N 312.413 3.276 0 40 DGAB CCC[C@@H](NC(=O)CC1CCCC1)c1nnc2ccccn12 65624649 MIRDARYHYJIINE-CQSZACIVSA-N 300.406 3.267 0 40 DGAB Cc1cc(NCc2ccccc2OC2CCCC2)n2ncnc2n1 70037417 CFKNCEKYMBWTJS-UHFFFAOYSA-N 323.400 3.366 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1cccs1 5786744 ASSLXIJUHRXYAC-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB C[C@@H](NCCc1coc(-c2ccc(F)cc2)n1)C1CCOCC1 91739765 UYSGYODHLNYNDX-CYBMUJFWSA-N 318.392 3.428 0 40 DGAB CC(C)c1cc(CNC(=O)N(C)C[C@@H](C)c2nccs2)on1 97086278 TUYQNCKIXXMEIG-LLVKDONJSA-N 322.434 3.200 0 40 DGAB O=C(O[C@H](c1ncccn1)C1CCCC1)c1ccn2cncc2c1 97034349 PTLZFJYVDMYNGH-INIZCTEOSA-N 322.368 3.213 0 40 DGAB Cc1ccc(NC(=O)N2CCN([C@@H](C)c3ccccn3)CC2)cc1 97081877 AXNHWTHLBBMWIE-INIZCTEOSA-N 324.428 3.301 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72298941 LYLLQZHOTPMEMD-CYBMUJFWSA-N 308.447 3.117 0 40 DGAB O=C(C[C@@H]1CCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72285780 IGLKSTDAJCGTBD-HOTGVXAUSA-N 309.413 3.236 0 40 DGAB CCc1nc(C)c([C@@H](C)N(C)Cc2cc(C(N)=O)cs2)s1 93612628 KQULTFCWIMAEHD-SNVBAGLBSA-N 323.487 3.367 0 40 DGAB C[C@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1ccncc1 97143253 PSNRPTXLSOKWJG-JTQLQIEISA-N 322.315 3.003 0 40 DGAB O=[S@](Cc1ccccc1F)Cc1cc(F)cc2c1OCOC2 96404538 NTARLRDUBGUVJU-QFIPXVFZSA-N 324.348 3.280 0 40 DGAB COC(=O)[C@H](NC(=O)c1cc2c(ccc3ccccc32)[nH]1)C(C)C 84409560 LJRUNALFKVWOAY-QGZVFWFLSA-N 324.380 3.249 0 40 DGAB CC1(NC(=O)Nc2nc3c(s2)CCCCC3)CCOCC1 95442625 JELRUPPSNMBAAZ-UHFFFAOYSA-N 309.435 3.103 0 40 DGAB CCc1cnc(CCNC2CCN(CC=C(C)C)CC2)s1 95968697 GJTNNNZQODLOTI-UHFFFAOYSA-N 307.507 3.268 0 40 DGAB CCCCOCc1nn(C(C)C)cc1I 408716808 REHMFRBNIODFAG-UHFFFAOYSA-N 322.190 3.385 0 40 DGAB Cc1ccc([C@H](C)CNC(=O)NCCCC(C)(C)CO)cc1 74359883 SNRPZXBQZRAWCI-OAHLLOKOSA-N 306.450 3.196 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C12CCC2 74604133 NHQZZYBTUWXGTD-NUEKZKHPSA-N 317.433 3.132 0 40 DGAB O=C(NCCc1cscn1)c1cc(F)cc(C(F)(F)F)c1 89764330 ROUBOYROTMMKED-UHFFFAOYSA-N 318.295 3.274 0 40 DGAB Cc1ccc(NCC(=O)NCc2ccc(F)c(C)c2)c(C)c1 21349227 OTFNWYCCFMFHIK-UHFFFAOYSA-N 300.377 3.479 0 40 DGAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 25334740 JBYSCDDBECUJDE-GFCCVEGCSA-N 303.333 3.378 0 40 DGAB OCC[C@H]1CCCCN1Cc1ccc(Br)cc1F 42223534 BYIYIGJMDKAXJH-CYBMUJFWSA-N 316.214 3.325 0 40 DGAB Cc1cc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)c(C)o1 306131123 JXGKXRHJSHKZPB-UHFFFAOYSA-N 311.341 3.009 0 40 DGAB Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 79439562 ZMGFUUMSRPGNRO-LBPRGKRZSA-N 324.446 3.138 0 40 DGAB C[C@@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccccc1 32853821 GHSFRSRCWMRADU-ASSNKEHSSA-N 301.411 3.056 0 40 DGAB CCCN1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 72371193 VMUZTLRNBVWVFX-AWEZNQCLSA-N 317.408 3.370 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@H](C)c1ccco1 79043582 IXXVHGCRQPTTBA-CHWSQXEVSA-N 315.373 3.009 0 40 DGAB COc1cccc(CNCCc2cc(F)cc3c2OCOC3)c1 78552817 HGVDMFLUYYBPIR-UHFFFAOYSA-N 317.360 3.033 0 40 DGAB C[C@@H](NC(=O)C1(c2ccccc2)CCOCC1)c1ccncc1 72265164 OKMGYVVDSDBFMT-OAHLLOKOSA-N 310.397 3.007 0 40 DGAB c1coc(-c2nc(N3CCCCC3)ncc2-c2cnccn2)c1 72338586 YGEVNQPHTXPCLJ-UHFFFAOYSA-N 307.357 3.184 0 40 DGAB C[C@@H](c1nccs1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 72203894 GOVXPZSYUAWFCT-NEPJUHHUSA-N 311.451 3.145 0 40 DGAB CC(=O)NCc1ccc(C(=O)OCc2cccc3[nH]ccc23)cc1 77884044 GGGGDBNZYUODRY-UHFFFAOYSA-N 322.364 3.161 0 40 DGAB COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccccc1 72414166 DPEOBWAVTNGUEU-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)OCCc1ccccc12 76914576 VQUGGGAYIJXYRU-UHFFFAOYSA-N 303.402 3.486 0 40 DGAB COc1ccc([C@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 44917692 GIAZADIIEUYXAH-CQSZACIVSA-N 303.387 3.161 0 40 DGAB Cc1ccc(NC(=O)COc2ccccc2-c2nc(C)no2)cc1 46012377 LFOHPFGEYHIJDU-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CCc1nnc(CN[C@H]2CCCC[C@@H]2Oc2cccc(C)c2)o1 195570285 CSJHVPFVOKOSGG-HOTGVXAUSA-N 315.417 3.420 0 40 DGAB Clc1cccc(-c2cnc3n2C[C@H](CNC2CCC2)OC3)c1 96269356 PWQKUWZWTRMOBD-HNNXBMFYSA-N 317.820 3.244 0 40 DGAB biogenic,in-vitro CCSc1ccc(NC(=O)NCc2cc(CC)no2)cn1 96421897 PJFLMKPPOKNJSD-UHFFFAOYSA-N 306.391 3.066 0 40 DGAB CCOC(=O)C1(NC(=O)OC(C)(C)C)CCC(F)(F)CC1 95761028 KEMMJCRCZPQHDO-UHFFFAOYSA-N 307.337 3.022 0 40 DGAB C[C@@H](NC1CCN(c2ccccn2)CC1)[C@H]1COc2ccccc21 90845615 VQUZHJIGVSBJBN-CRAIPNDOSA-N 323.440 3.205 0 40 DGAB C[C@H]1c2ccccc2CN1C(=O)CCc1ccc(C(=O)O)cc1 579980252 QORAYGHERXWJLV-ZDUSSCGKSA-N 309.365 3.421 0 40 DGAB c1sc(N2CCCC2)nc1[C@@H]1COCCN1C1CCCC1 96218044 QBPXQUJABIBWCP-HNNXBMFYSA-N 307.463 3.059 0 40 DGAB C[C@@H](NCc1ccncc1Cl)c1ccc2c(c1)CCC(=O)N2 96491049 NZWFHYVKWRJJBO-LLVKDONJSA-N 315.804 3.471 0 40 DGAB Cc1ccc(-c2cc3ccc(-n4ccnn4)cc3oc2=O)cc1 255187798 GVAUYBGCSHEYBK-UHFFFAOYSA-N 303.321 3.349 0 40 DGAB CC[C@@H](c1nc(-c2cccc(Cl)c2)no1)N1CCCC1=O 585133272 CWERQBWYSCWSDU-LBPRGKRZSA-N 305.765 3.464 0 40 DGAB COc1cccc([C@H]2C[C@@H](NC(=O)C(C)C)[C@@H]3CCC[C@H]3O2)c1 257329923 XMAKPDSEOLFDOZ-BSDSXHPESA-N 317.429 3.466 0 40 DGAB COc1ccc(NC(=O)N2CCSCC2)c(C(F)(F)F)c1 48549482 QQVLVLCWQXMGEH-UHFFFAOYSA-N 320.336 3.295 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1cnn(-c2ccccc2)n1 52988429 CIXMZIHDMZQCON-LBPRGKRZSA-N 324.409 3.088 0 40 DGAB CC[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccs1 55966687 LYCNFNZJHKURIS-GFCCVEGCSA-N 303.383 3.400 0 40 DGAB Cc1nn(C)c(NC(=O)[C@@H](C)CCOc2ccccc2)c1C 73081345 UCTHPPAIODLIMF-LBPRGKRZSA-N 301.390 3.081 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCCc1ccccc1 69739749 VVSSICUYBXFLLN-MOPGFXCFSA-N 300.446 3.095 0 40 DGAB CC[C@@H](C(=O)N1CCCSC[C@@H]1CN(C)C)c1ccccc1 90699973 HDTOKXPIDQQWLZ-DLBZAZTESA-N 320.502 3.076 0 40 DGAB C[Si](C)(C)c1ccc([Si](C)(C)C)c2c1OC(F)(F)O2 195945415 IVNYRQPAJCRKDR-UHFFFAOYSA-N 302.469 3.099 0 40 DGAB O=C(COc1ccccc1C(=O)O)Nc1ccccc1Cl 13409370 WBZJLRREYZDCNM-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1nc(NC(=O)c2oc3c(c2C)C(=O)CCC3)sc1C 16740189 VHEQZMHPZIKVKB-UHFFFAOYSA-N 304.371 3.433 0 40 DGAB C[C@@H](Cn1cncn1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 19457900 QGROSROLMMYMOJ-ZDUSSCGKSA-N 324.359 3.359 0 40 DGAB COc1cc(-c2nc3cc(Cl)cnc3[nH]2)cc(OC)c1OC 16195276 VEILONOZFVJTOM-UHFFFAOYSA-N 319.748 3.304 0 40 DGAB Cc1cccn2cc(CCNC(=O)c3ccc(Cl)cc3)nc12 2960949 BIRLFHQWWRMCRY-UHFFFAOYSA-N 313.788 3.269 0 40 DGAB CCN(C(=O)COc1nc(C)nc2ccccc12)c1ccccc1 21361083 GGAYUXSBKXWXAU-UHFFFAOYSA-N 321.380 3.370 0 40 DGAB O=C(NCc1cccc2ccccc12)NC[C@]1(O)C=CCCC1 585146638 QYHDXTISNXPYQH-IBGZPJMESA-N 310.397 3.110 0 40 DGAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCc2c(O)cccc21 76688353 BJUAQGARFIRGAX-CYBMUJFWSA-N 315.394 3.220 0 40 DGAB CC1=Cc2ccccc2N(C(C)(C)C(=O)O)N1C(=O)C(C)C 38337668 WAOPCLFXOLFXLX-UHFFFAOYSA-N 302.374 3.130 0 40 DGAB O=C(NCc1ccccc1F)c1ccn(-c2ccc(F)cc2)n1 31491152 OVVMKIAQCLLJSJ-UHFFFAOYSA-N 313.307 3.081 0 40 DGAB Cc1csc(CNC(=O)Cc2ccc(-n3cccc3)cc2)n1 40510447 LXKZXKLCYQGHIJ-UHFFFAOYSA-N 311.410 3.101 0 40 DGAB Nc1ccc(-c2nc3c(Br)cc(N)cc3[nH]2)cc1 235551 BLDQNHIVGXVBQD-UHFFFAOYSA-N 303.163 3.157 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2nc3cc(C)c(C)cc3[nH]2)cc1 382813 YEPIATXGQMZVLR-UHFFFAOYSA-N 315.398 3.289 0 40 DGAB COc1ccc(S(=O)(=O)Oc2cccc(C)c2C)cc1C 2697009 DOEWTIUBFMLBOP-UHFFFAOYSA-N 306.383 3.388 0 40 DGAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 3602644 IXNVDUKHPHXEAI-LLVKDONJSA-N 305.403 3.134 0 40 DGAB Cn1c(SCC(=O)c2ccccc2F)nnc1-c1ccco1 4161933 YTJYJTFVJSOIBO-UHFFFAOYSA-N 317.345 3.189 0 40 DGAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1ccc(F)cc1 4275945 FUMHABBIKRABEF-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB CCC1=NN(C(=O)Cc2ccccc2)[C@](O)(c2ccc(C)cc2)C1 4578139 RBIPZIMNDYFUSY-HXUWFJFHSA-N 322.408 3.381 0 40 DGAB COc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1OC 4644524 QFRVCEFKFXMFDJ-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB Cc1cc(C(=O)Nc2ccc(N3CCOCC3)cc2)c(C)s1 5701912 UCKCDFGHXZCEGJ-UHFFFAOYSA-N 316.426 3.454 0 40 DGAB COc1cccc(C2=NN=C(NCc3ccccc3)SC2)c1 5866296 REBDERWHPLOIJQ-UHFFFAOYSA-N 311.410 3.292 0 40 DGAB CCOC(=O)c1cnc2c(C)cc(Cl)cc2c1NCCCO 5958492 TYIZBYNMSGHVBT-UHFFFAOYSA-N 322.792 3.168 0 40 DGAB C#CCn1cc(/C=C(/C#N)C(=O)NC2CCCC2)c2ccccc21 6295444 JYVQMFZZLITQKT-QINSGFPZSA-N 317.392 3.240 0 40 DGAB Cc1nc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2o1 8109925 SEJIBHIWOFDLRL-UHFFFAOYSA-N 306.318 3.076 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1)C(=O)N1CC(=O)Nc2ccccc21 8478415 DQPLQVXWAMILME-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)NC1CCCC1 8714908 JGDXULWZAQXKKD-UHFFFAOYSA-N 311.447 3.214 0 40 DGAB Cc1ccc(NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)cc1 9038665 HYYVLTYKIYGVOI-OAHLLOKOSA-N 323.396 3.170 0 40 DGAB NC(=O)c1ccsc1NC(=O)/C=C/c1cccc(Cl)c1 9054382 XXVIXBGVLIRPBX-SNAWJCMRSA-N 306.774 3.152 0 40 DGAB Cc1noc(C)c1COc1cccc(C(=O)N[C@H](C)C2CC2)c1 9532733 UXPXRWMEPBQAIQ-LLVKDONJSA-N 314.385 3.399 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)c3ccc(Cl)cc3F)cc12 12813125 LDJWCMLUWUSSDZ-UHFFFAOYSA-N 318.739 3.322 0 40 DGAB Cc1ccc(CNC(=O)Cc2cnn(-c3ccccc3)c2)cc1 12941192 DWJMXRLIFXURTJ-UHFFFAOYSA-N 305.381 3.040 0 40 DGAB O=C(Nc1ccccc1N1CCCC1=O)c1ccc(F)c(F)c1 12988343 CNYGYJLZCPPMAC-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1ccc(C)c(NC(=O)CCN2C(=O)COc3ccccc32)c1 12994921 HGJPPAFVMGTANO-UHFFFAOYSA-N 324.380 3.058 0 40 DGAB CCOc1ccc(C(=O)N[C@H](CC(=O)O)c2cccs2)cc1 13389107 FGASEUWBEDBKOL-CYBMUJFWSA-N 319.382 3.093 0 40 DGAB COc1ccc(CN(CCO)Cc2cccs2)c(C)c1C 13997532 WXBNPSWGEWQYIM-UHFFFAOYSA-N 305.443 3.368 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N[C@@H](c1cccs1)C(C)C 14139503 IBADVBJLHGKPFV-GFCCVEGCSA-N 314.432 3.029 0 40 DGAB COc1ccc(CC(=O)NCCSc2ccc(C)cc2)cc1 17341132 JCQSROIAHWJODF-UHFFFAOYSA-N 315.438 3.455 0 40 DGAB O=C(Nc1c(-c2ccccc2)nc2ncccn12)c1ccco1 19898766 ZDFTXQGNXRKMEN-UHFFFAOYSA-N 304.309 3.242 0 40 DGAB CCOc1cccc(CNC(=O)/C=C/c2ccccc2OC)c1 20491836 NTERXMLFBCEGNV-VAWYXSNFSA-N 311.381 3.424 0 40 DGAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 23016698 MYIRUEUAURHDCS-DZGCQCFKSA-N 302.418 3.078 0 40 DGAB O=C(NCc1ccncc1)c1csc(Nc2ccccc2)n1 23136808 HEEFISLHAALLBL-UHFFFAOYSA-N 310.382 3.212 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCCCc1ccccc1 24613228 MJRFPVXEEGRQAH-UHFFFAOYSA-N 311.381 3.097 0 40 DGAB CN(CCNC(=O)c1cn(C)c2ccccc12)c1ccccc1 24980771 VEPPAPHFRJFVHC-UHFFFAOYSA-N 307.397 3.045 0 40 DGAB CCOc1ccc(C(=O)NC[C@H](c2cccs2)N(C)C)cc1 25720597 CYALLXGDCLYXEE-OAHLLOKOSA-N 318.442 3.180 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)o2)cc1 32552266 MGTAAOBHLYAMKL-GFCCVEGCSA-N 309.387 3.026 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2cccc3cccnc23)cc1 32736361 LPPBSHWAWHXVBR-UHFFFAOYSA-N 319.364 3.123 0 40 DGAB CN(C)c1ccc(CCCNC(=O)Cc2cccc(F)c2)cc1 32818572 XJEWRPAFVDSKIS-UHFFFAOYSA-N 314.404 3.183 0 40 DGAB Oc1ccc(C2=CCN(C[C@H](O)c3ccc(F)cc3)CC2)cc1 32900855 PPSIVNSNXZCCDD-IBGZPJMESA-N 313.372 3.354 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(Cn2ccnc2)cc1 32912945 ZXNAPSMHIZLCAK-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2c(F)cccc2F)cc1 40525870 JPKFMCBBZGHDHX-CQSZACIVSA-N 306.312 3.128 0 40 DGAB COc1ccc(CN(C)C(=O)COc2cc(C)ccc2C)cc1 41104075 KEIYVHBNWKBREE-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)c(C)c1 43142649 BLEYMLMXOQKOJH-MRXNPFEDSA-N 320.339 3.437 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 43584538 VGRQKMRIOWBNPO-NSHDSACASA-N 310.781 3.449 0 40 DGAB CC(C)c1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)nn1C(C)(C)C 44254749 XUDWHWOZEUSMID-BETUJISGSA-N 307.438 3.011 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(Oc3cccc(F)c3)nc2)cn1 44643526 QTIABANNJMXGJY-UHFFFAOYSA-N 324.315 3.364 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(N)=O)cc1 44867987 KYMYTEORJLJAJE-UHFFFAOYSA-N 322.817 3.163 0 40 DGAB COc1ccc(CNC(=O)c2ccc(C)c(F)c2)c(OC)c1 45172237 VLDPJQJUEZPYOS-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB c1csc(Cc2n[nH]c(SCc3nc(C4CC4)no3)n2)c1 45945409 SNUMMLAIQSGVCI-UHFFFAOYSA-N 319.415 3.010 0 40 DGAB Cc1ccsc1C(=O)N[C@@H](C)c1ccc2c(c1)CCC(=O)N2 45979429 CHEOYYPWQCEDHC-NSHDSACASA-N 314.410 3.432 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)COc1ccc2ccccc2c1 46408116 PHMUIEQJISASKQ-UHFFFAOYSA-N 324.380 3.482 0 40 DGAB Cc1cc(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)c2ccccc2n1 46492728 DIXOVTIXBBPAOD-ZWKOTPCHSA-N 310.397 3.327 0 40 DGAB Cc1nnc(NC(=O)c2cnc(-c3ccccc3)s2)s1 46878712 ZCPDASILPKDRIV-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCCCOc1ccccc1 48314152 PPLUMKIGDCZXFP-NTCAYCPXSA-N 317.410 3.046 0 40 DGAB C[C@H](OCC1CC1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 49136869 ONNXTEIBVZTJJI-ZETCQYMHSA-N 303.189 3.329 0 40 DGAB Cc1noc([C@@H](C)Sc2nnc(-c3ccccc3)n2C)n1 58146322 NICVITUXCZWSQZ-SECBINFHSA-N 301.375 3.027 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1ccccc1 58193225 RGQKLYKPHXWULL-HNNXBMFYSA-N 314.454 3.390 0 40 DGAB C[C@@H]1CCC[C@H](N[C@@H](C(=O)NC2CC2)c2ccccc2)[C@@H]1C 60993020 XSXAFQOMDFGVJG-KJWYOANISA-N 300.446 3.421 0 40 DGAB CC(C)(C)OC(=O)N[C@H](C(=O)N1CCCCC1)c1ccccc1 62064195 AIOJVKFAZBSPMS-HNNXBMFYSA-N 318.417 3.265 0 40 DGAB Cc1noc(C2(NC(=O)Cc3ccccc3C)CCCCC2)n1 65257739 VWEOQDZZBMHFDW-UHFFFAOYSA-N 313.401 3.205 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)CC1 65479375 XOCWIGFYSUMRBT-VXGBXAGGSA-N 318.442 3.382 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)Nc3ccncc3)o2)cc1 69385159 AYGSPSXVUFUIAV-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1ccccc1-c1noc(CN[C@](C)(CO)c2ccccc2)n1 69595521 AVKMNBOKFGIQMK-LJQANCHMSA-N 323.396 3.042 0 40 DGAB CCCC[C@H]1CCC[C@H]1NC(=O)NC1CCC2(CC1)OCCO2 69766930 GTYHJQJVERPIOM-GOEBONIOSA-N 324.465 3.330 0 40 DGAB CCCCN(Cc1cccc(Cl)c1)[C@H]1CCS(=O)(=O)C1 70980283 XPOYVKSTCLENIE-HNNXBMFYSA-N 315.866 3.129 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(N2CCCC2)c1 71853967 YCZUXJKDJNLKQD-QGZVFWFLSA-N 317.433 3.320 0 40 DGAB Cc1cccc(C[S@](=O)[C@@H](C)C(=O)N(C)c2ccccc2)c1 71858887 WWINDQSDCWMLQA-OYHNWAKOSA-N 315.438 3.295 0 40 DGAB COCCCn1cnnc1SCc1ccc2c(c1)CCC2 72286193 XXSQALGCTSAOCC-UHFFFAOYSA-N 303.431 3.096 0 40 DGAB Cc1nc(CCC(=O)O)cc([C@@H]2CCCN2C2CCCCC2)n1 72363413 IEUOQLLPRDHOMK-KRWDZBQOSA-N 317.433 3.272 0 40 DGAB CSCC[C@@](C)(O)CNC(=O)c1cccc2ccccc12 75157453 WKGUAQIYIXOXQF-QGZVFWFLSA-N 303.427 3.074 0 40 DGAB C[C@H](NC(=O)N(C)CC1CCC1)c1cccc(-n2cccn2)c1 76091716 GQSUJDMOHKHSPQ-AWEZNQCLSA-N 312.417 3.375 0 40 DGAB Cc1cnn(CCC(=O)Nc2cc(-c3ccccc3F)no2)c1 79028356 MQJGWYCCCJZOCR-UHFFFAOYSA-N 314.320 3.014 0 40 DGAB O=C(c1ccoc1)N(Cc1ccccc1)C[C@@H](O)c1ccco1 79054265 DQVSZLUFMWIPQB-MRXNPFEDSA-N 311.337 3.249 0 40 DGAB CCOc1ccc(-c2nc(-c3ccccc3O)n[nH]2)cc1OC 85384534 FTEQKTHJPPIZLS-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB N=C(N)SCc1nc(-c2ccc(Cl)cc2Cl)no1 89262040 IFYRWBVJPXZMGZ-UHFFFAOYSA-N 303.174 3.170 0 40 DGAB Cc1nc(CSc2nc(-c3ccccn3)n[nH]2)sc1C 89559523 PWDQOXWIRORKNH-UHFFFAOYSA-N 303.416 3.232 0 40 DGAB Cc1cnc(CNC2CCN(Cc3ccccc3)CC2)s1 95961944 ZOVNPDMPRRDXPX-UHFFFAOYSA-N 301.459 3.206 0 40 DGAB Cc1cc(N)nc(SCc2ncc(Cl)cc2Cl)n1 95990748 ISFRHTLBGVRGJJ-UHFFFAOYSA-N 301.202 3.361 0 40 DGAB O=C(NCc1cccs1)c1ccn(-c2ccc3ccccn23)n1 96038020 BXQYIYJSVZRMMA-UHFFFAOYSA-N 322.393 3.117 0 40 DGAB CC[C@@H](C)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 96063254 FZCHYRPQSNRAQW-RDTXWAMCSA-N 304.409 3.049 0 40 DGAB CO[C@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 96200379 HHVKDQIUHULYPR-ROUUACIJSA-N 300.402 3.123 0 40 DGAB COCc1cccc(C(=O)NC(C)(C)c2nc(C)cs2)c1 96407434 MSFPATZHBCOODD-UHFFFAOYSA-N 304.415 3.263 0 40 DGAB Cc1cc(NC(=O)[C@H]2CCCS2)n(-c2ccccc2F)n1 96436315 PWKFLJIACXAXFS-CYBMUJFWSA-N 305.378 3.154 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)c2csc(COC)n2)C1 96451539 CMTLPTYTKROLNI-GHMZBOCLSA-N 314.476 3.084 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncccc2F)C1 96466744 ZQVHAQRESUZMCV-QWHCGFSZSA-N 323.412 3.350 0 40 DGAB Cc1ccc(CC(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)s1 97017505 HLYVQEACPRETJJ-CQSZACIVSA-N 321.373 3.070 0 40 DGAB C[C@H](CC(=O)c1ccco1)NC(=O)c1ccc(O)c(Cl)c1 97080117 KQLPZUSUOJMPEK-SECBINFHSA-N 307.733 3.030 0 40 DGAB Cc1ccoc1C(=O)N[C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 97104001 YHGGYRXOYYLKBH-STQMWFEESA-N 322.405 3.154 0 40 DGAB Cc1cc(CN2CCN(CC[C@H](C)c3ccccc3)CC2)on1 97105610 PTMLSVKSJRPBNE-INIZCTEOSA-N 313.445 3.294 0 40 DGAB O=C1COc2cc(NCc3cnc(C4CCC4)s3)ccc2N1 97113777 OSOKKZRYPGFQRZ-UHFFFAOYSA-N 315.398 3.354 0 40 DGAB C[S@@](=O)CCC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 97233100 DBCQYAQHIVKABE-NRFANRHFSA-N 309.475 3.104 0 40 DGAB O=c1[nH]c2c(s1)[C@@H](c1cccnc1)[C@H]1[C@@H]3CC[C@H](C3)[C@H]1S2 100186480 RRGJAKVGOZYHOQ-AOBWVBKOSA-N 316.451 3.484 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)CCCC2 100221891 YXLHJRQJKUYGQR-LHIBYTEYSA-N 319.404 3.123 0 40 DGAB C[C@H](c1cnccn1)N1CCC(CN2CCc3ccccc32)CC1 184546958 VUDNRUKDFYRWAV-MRXNPFEDSA-N 322.456 3.312 0 40 DGAB OC[C@H]1CC[C@@H](NCc2sccc2Br)CC1 195564561 PCTCILNVNLPDGM-MGCOHNPYSA-N 304.253 3.151 0 40 DGAB NC(=O)[C@H]1CCCC[C@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 221791108 AVKZWCJNDWOBAM-VHSXEESVSA-N 315.200 3.224 0 40 DGAB CN(C)c1ccc(C(=O)NCc2ccc(-c3ccco3)nc2)cc1 225751167 FSUFGBVEKMEKOE-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB Cc1cccc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)n1 226747322 WLPUAAQECNMLNP-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB COc1cccc(NC(=O)c2ccccc2SCC(=O)O)c1 226820078 NEKDOONIRKAWSB-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB O=c1c(N2CCC(Cc3ccccc3)CC2)nccn1C1CC1 302045442 XXNLUADTOBOATC-UHFFFAOYSA-N 309.413 3.037 0 40 DGAB CS(=O)(=O)N(Cc1cccc(Cl)c1)c1ccc(F)cc1 408627490 MWUOLVOEPNDFGD-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB COc1ccc(CN2[C@H](c3ccccc3)CC[C@@H]2C(=O)O)cc1 584421850 GEJCCKLRSREFQR-ZWKOTPCHSA-N 311.381 3.486 0 40 DGAB Cc1cc(CNC(=O)[C@H](c2cccnc2)C2CCCCC2)no1 585121323 MAWNYPNNTBKVAA-KRWDZBQOSA-N 313.401 3.358 0 40 DGAB Cc1cccc(C)c1N(C[C@H](C)N(C)C)C(=O)COC(C)C 585125264 LWDIHOPFFRPNDI-INIZCTEOSA-N 306.450 3.012 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(C2CC2)nn1)c1ccc(F)cc1 1517563426 WHPWPUWOFSUQFL-SNVBAGLBSA-N 300.337 3.376 0 40 DGAB O=C(Nc1cccc(OC(F)F)c1)c1cc(C2CC2)ncn1 1888863874 REDHJSIIQCGNQY-UHFFFAOYSA-N 305.284 3.208 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 51051 RKYIEPATGAUQPC-CQSZACIVSA-N 304.390 3.333 0 40 DGAB C[C@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2NC1=O 20900163 KCQDVPWRPNKLJB-GETOMWPZSA-N 306.365 3.321 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)cc1 29479950 AUDGDXYRPGWHQZ-MJGOQNOKSA-N 323.392 3.362 0 40 DGAB CN1CCC[C@H]1C(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 11819760 RMBBFVNXODGTGH-KRWDZBQOSA-N 320.396 3.263 0 40 DGAB CCOC(=O)c1ccc(OCc2noc3cc(O)ccc23)cc1 32501380 GQWUURAMQUAPLZ-UHFFFAOYSA-N 313.309 3.289 0 40 DGAB COc1ccc([C@@H](C)c2cc3c(cc2O[C@H](C)O)OCO3)cc1 1612185 WBLLBEGTYCAWSR-VXGBXAGGSA-N 316.353 3.293 0 40 DGAB Cc1cccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)c1 4850550 PHFXMRFZCLOLTQ-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCc1ccccn1 75605729 KBFQGXVPPKBRBA-AWEZNQCLSA-N 304.825 3.157 0 40 DGAB O=C(NCc1ccccc1)C(=O)Nc1ccc2ccccc2c1 10372648 OKJHVFFRTBMIFI-UHFFFAOYSA-N 304.349 3.095 0 40 DGAB COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(C)C 8040946 ARANYCDXAKDHOO-UHFFFAOYSA-N 311.447 3.383 0 40 DGAB O=C(CCN1CCOCC1)Nc1ccccc1-c1ccccc1 22197690 DYOBQMAJOJOUBO-UHFFFAOYSA-N 310.397 3.014 0 40 DGAB O=c1[nH]cnc2oc(-c3sc4ccccc4c3Cl)nc12 12395127 PEDHHUOPEQOTCY-UHFFFAOYSA-N 303.730 3.446 0 40 DGAB CCOC(=O)c1[nH]c(-c2cccc(Br)c2)nc1C 42435432 DYXNUMWMHMOVJX-UHFFFAOYSA-N 309.163 3.324 0 40 DGAB in-vitro COc1ccc(CCNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 104621227 SFCCHUGYQANRQO-JYJNAYRXSA-N 317.429 3.189 0 40 DGAB CCc1cc(O)cc2c3c([nH]c12)[C@](CC)(CC(=O)O)OCC3 21981206 GQHWDDBALZVXBU-KRWDZBQOSA-N 303.358 3.089 0 40 DGAB world C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CC[C@@H]1C2 101703124 LXNOAIIBZDISFK-IMRBHXEOSA-N 313.397 3.369 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)c(C)c1 101276491 AJLHRFXIIJCSMH-INIZCTEOSA-N 312.344 3.187 0 40 DGAB C[C@@H](N[C@H]1CCCCNC1=O)c1cc(F)c(Cl)cc1Cl 35055223 YXYFVYLOIDYPLA-OQPBUACISA-N 319.207 3.452 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1 3217278 VLFBFRZHEFZKDO-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1ccsc1 12680333 SXLRWWCJTBGVIV-LBPRGKRZSA-N 316.426 3.458 0 40 DGAB CCn1nc(C)cc1NC(=O)[C@H](C)Oc1cc(C)cc(C)c1 28244403 ZVFJSSCNTWSOIC-AWEZNQCLSA-N 301.390 3.234 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)NCc2ccc(F)cc2)cc1 58133229 MECNXYWPXWSWFP-LBPRGKRZSA-N 314.360 3.145 0 40 DGAB C[C@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccn1 45560615 OXYOQACXWVATSR-NWDGAFQWSA-N 309.373 3.079 0 40 DGAB Cc1ccoc1C(=O)NCCc1ccc(OC(F)(F)F)cc1 48354189 SCWSWPMVBATOKT-UHFFFAOYSA-N 313.275 3.459 0 40 DGAB NC(=O)CN(C(=O)c1cc2ccccc2s1)c1ccccc1 12980395 QYADKZPEZPNCEC-UHFFFAOYSA-N 310.378 3.033 0 40 DGAB Cc1nc2cc(NC(=O)[C@H]3CCOC3)ccc2n1-c1ccccc1 69321299 FQNOYLFCCRYBRC-AWEZNQCLSA-N 321.380 3.309 0 40 DGAB COc1cccc(C2=NO[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)c1 5029582 GEBTVPGQETWCRB-UGSOOPFHSA-N 324.380 3.066 0 40 DGAB Cc1ccc(C)c(C(=O)COC(=O)c2[nH]nc3ccccc23)c1 5268648 FUYWXJRZCJMGCQ-UHFFFAOYSA-N 308.337 3.219 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 6314939 UCASSMMZFVBAPZ-UHFFFAOYSA-N 309.431 3.280 0 40 DGAB CCCc1noc(CCC(=O)N2CCC[C@@H]2c2cccs2)n1 65434581 UDOUZPNSNDACRV-GFCCVEGCSA-N 319.430 3.380 0 40 DGAB O=C(NC[C@H](O)c1ccc(F)c(F)c1)c1sccc1C1CC1 69581791 UXHONPVCBWABRK-AWEZNQCLSA-N 323.364 3.367 0 40 DGAB CCCC[C@H]1CCC[C@H]1NC(=O)Cn1c(CCC)n[nH]c1=S 65575985 JYMJQDNPZZRFIM-QWHCGFSZSA-N 324.494 3.368 0 40 DGAB Cc1sc(N2CCN(C)CC2)nc1-c1ccc(F)c(F)c1 14201888 YJDZQSALQDOYPW-UHFFFAOYSA-N 309.385 3.149 0 40 DGAB CCC(=O)c1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 6839370 NFINIZWOBKUMFB-UHFFFAOYSA-N 315.344 3.114 0 40 DGAB O=C(N[C@H]1C[C@H]1c1cccc(F)c1)c1cc2ccccc2oc1=O 67091888 RKSAUQOFHVWGEW-HOCLYGCPSA-N 323.323 3.218 0 40 DGAB CCCCN(C[C@H](O)COCc1ccccc1OC)[C@@H](C)CC 6936206 UPRFOWFFAUFBCI-WMZOPIPTSA-N 323.477 3.473 0 40 DGAB O=C(CCc1cnn(-c2ccccc2)c1)NCc1ccccc1 15190333 PXVHDJXQNMASFA-UHFFFAOYSA-N 305.381 3.121 0 40 DGAB S=C(NCc1ccccc1-n1ccnc1)Nc1ccccc1 20105534 UQMHJGMACRGFNW-UHFFFAOYSA-N 308.410 3.359 0 40 DGAB CC[C@@H](O)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C 7425164 JGYWMVVQCYWTNT-MRXNPFEDSA-N 317.433 3.125 0 40 DGAB CC(C)c1ccc2c(c1)[C@@H](NC[C@@H]1CCS(=O)(=O)C1)CCC2 90401301 PSZNKNJIHCCLST-KSSFIOAISA-N 321.486 3.212 0 40 DGAB Cc1ccc(C)n1NC(=O)COc1ccc(Br)cc1 9226094 VWSMDQWUGQEXIW-UHFFFAOYSA-N 323.190 3.017 0 40 DGAB FC(F)Cn1ccc(NC2CCN(c3ccccc3)CC2)n1 97036855 JAVXREOHSYUWSC-UHFFFAOYSA-N 306.360 3.229 0 40 DGAB COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@@H]3C4)CC2)cc1 22794664 XSVHECDLKBVVBE-OTWHNJEPSA-N 312.457 3.025 0 40 DGAB NC(=O)c1ccccc1NC(=O)c1cc2c(s1)CCCCC2 9592769 JISYZWRFHIKENG-UHFFFAOYSA-N 314.410 3.368 0 40 DGAB COc1cccc(C2(C(=O)NCc3nccs3)CCCC2)c1 71888972 ZFWMGKRRGPNEQM-UHFFFAOYSA-N 316.426 3.280 0 40 DGAB Cc1cnc(NC(=O)CC[C@H]2CCCO2)c(Br)c1 95436717 MNNKXFGMXWZUMG-SNVBAGLBSA-N 313.195 3.050 0 40 DGAB O=C(CCc1nc(-c2ccncc2)no1)c1ccc(F)c(F)c1 88337189 QDZDVMIYGVCINN-UHFFFAOYSA-N 315.279 3.225 0 40 DGAB Cc1cccc(C)c1CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1 95943338 NCWPZVRVFXORTR-WBVHZDCISA-N 302.418 3.060 0 40 DGAB COc1ccc(C(=O)Nc2ccc(Br)cc2)cc1N 22175233 OZRCLJCFGNQGGH-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CSc1ccc(NC(=O)c2ccc(-n3cccc3)nc2)cn1 75108539 MPCYGTKCIRAFMN-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ccccn2)C1 89894302 KVOCAJOSYHKHTP-UONOGXRCSA-N 305.422 3.211 0 40 DGAB O=C(Cc1cccc(O)c1)NCc1ccc(-c2cccnc2)cc1 75498756 FDYJNPJBDJAYEO-UHFFFAOYSA-N 318.376 3.313 0 40 DGAB CCCOCc1c(I)cnn1[C@@H](C)CC 408716693 PUBLMDFVNZPCAZ-VIFPVBQESA-N 322.190 3.385 0 40 DGAB CC(C)[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)O 33456180 RECSXRSFZKNBDA-DIECRNLCSA-N 316.184 3.232 0 40 DGAB O=C(NCC(F)(F)F)c1cc(-c2cccc(Cl)c2)on1 32830398 DVFFJWPKZQGOGX-UHFFFAOYSA-N 304.655 3.287 0 40 DGAB COc1ccc2c(c1)N(Cc1nccn1C(F)F)C[C@@H](C)O2 75857935 UHLAIGRJOYZUEA-SNVBAGLBSA-N 309.316 3.074 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(Cc2ccc(F)s2)CC1 72209403 DZJZYHSTPRIWCN-UHFFFAOYSA-N 314.426 3.376 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2O 35074926 HYTUXCLDWATLGA-DZBHQSCQSA-N 300.398 3.091 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)Cc1ccccc1Cl 32930648 AORQZGONUHOLDB-JTQLQIEISA-N 306.793 3.235 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c1 36635469 DZVKZWQGUQYRLC-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1cc(CN[C@@H](CC(=O)N(C)C)c2ccccc2)ccc1F 78552362 XEPRKJGRFHBHBK-SFHVURJKSA-N 314.404 3.443 0 40 DGAB CCc1ccc([C@@H]2CCN([C@H](C(=O)O)c3cccnc3)C2)cc1 564583579 DUYODDQWAWFBFT-MSOLQXFVSA-N 310.397 3.259 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C(C)C)cc2)cn1 72330209 WDSIETKGLPJHLM-UHFFFAOYSA-N 312.369 3.309 0 40 DGAB C[C@@H](c1ccccn1)N1CCC(NC(=O)OC(C)(C)C)CC1 72203849 AYFNPRZQJBDNGG-ZDUSSCGKSA-N 305.422 3.132 0 40 DGAB c1csc(-c2noc(C3CN(Cc4ccsc4)C3)n2)c1 49484417 CIQUCCWXZNCCCT-UHFFFAOYSA-N 303.412 3.459 0 40 DGAB CCOC(=O)c1cnc2c(OC)cccc2c1Br 47913097 QKMBRKPDOOMMKJ-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB CCC[C@H](C)NS(=O)(=O)c1ccc2cc(OC)ccc2c1 223364381 USSYVQHDOIIEKW-LBPRGKRZSA-N 307.415 3.315 0 40 DGAB CC1CCN(CCCNC(=O)c2ccc(Cl)cc2F)CC1 41906610 YGRUMXCFMBNSDL-UHFFFAOYSA-N 312.816 3.331 0 40 DGAB C[C@@H](C(=O)N1CCc2ccccc2[C@@H]1C(=O)O)c1cccs1 195541845 MIVMXAPBJSWPRQ-IAQYHMDHSA-N 315.394 3.062 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@H]2CC[C@@H]2c2ccc(F)cc2)cnn1C 527888335 XBVVQIFJLLFJIO-XZJROXQQSA-N 315.392 3.239 0 40 DGAB C[C@H](CNC(=O)c1cccnc1S)Sc1ccccc1 81111068 XFJFYGYFACDCLV-LLVKDONJSA-N 304.440 3.281 0 40 DGAB Nc1ncnc2c1ncn2CCCSc1ccc(Cl)cc1 88218629 CFBKLJNXNUWBFM-UHFFFAOYSA-N 319.821 3.244 0 40 DGAB CCCCNC(=O)N1CCCC[C@@H]1c1nc(CCCC)no1 40714526 LTAVJMRBUMXXLV-CYBMUJFWSA-N 308.426 3.449 0 40 DGAB COc1cc(OC)c(NC(=O)c2ccc(Cl)cn2)cc1F 87394385 IMAPNJJBQVSLIK-UHFFFAOYSA-N 310.712 3.144 0 40 DGAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@H]21)c1c(F)c(F)cc(F)c1F 95418775 DOOASQRWQMIIOF-PXTQAZKISA-N 321.273 3.311 0 40 DGAB COc1ccc(-c2nc(-c3cccc(N)c3C)no2)cc1OC 140325123 ZWEZDQJBVQDCSU-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@@H]4CC=CC[C@H]4C3)c12 96423501 SVJWYNPMXDKXJY-KBPBESRZSA-N 323.396 3.447 0 40 DGAB C[S@](=O)CCC(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1 97233099 DBCQYAQHIVKABE-OAQYLSRUSA-N 309.475 3.104 0 40 DGAB CC(=O)Nc1ccc(CN2CCC[C@@]2(C)c2nccc(C)n2)cc1 257280703 OLZWWVNAVBZFBF-IBGZPJMESA-N 324.428 3.255 0 40 DGAB CN1CCC(Cc2cccc(-c3cccc(C(=O)O)c3)n2)CC1 257316228 VERCHFRHFSAAEP-UHFFFAOYSA-N 310.397 3.331 0 40 DGAB CCC(=O)N1CCC[C@H]1c1ncc(Cc2ccccc2F)o1 257336446 YOLQMOUQLYGGNF-HNNXBMFYSA-N 302.349 3.478 0 40 DGAB Fc1ccc(C[C@@H]2CC3(CO2)CN(Cc2ccncc2)C3)cc1 257339292 ZBCCZSIAIXHQMK-GOSISDBHSA-N 312.388 3.054 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1cccs1 257203961 ASJPVZBVPIBNLX-CQSZACIVSA-N 303.431 3.466 0 40 DGAB O=C(/C=C/c1ccccc1Cl)N1CC(OCC(F)(F)F)C1 390832524 ZYKXXPMGLORYLV-AATRIKPKSA-N 319.710 3.143 0 40 DGAB CN(CC1CC1)C(=O)Nc1ccccc1CN1CCSCC1 61788695 PTEITSARZQQKSD-UHFFFAOYSA-N 319.474 3.109 0 40 DGAB CCc1cc(=O)oc2cc(O[C@H](C)c3nc(C)no3)ccc12 69660606 NFWLDRNVSAIJQW-SECBINFHSA-N 300.314 3.187 0 40 DGAB Cc1ccc(CSc2nnc(Cc3ccccc3)c(=O)[nH]2)cc1 5154742 PHUBPCYAHHGGGV-UHFFFAOYSA-N 323.421 3.356 0 40 DGAB CC(C)NC(=O)Cn1c(-c2ccc(F)cc2)cc2cccnc21 12144002 NTRKRVQZUMUCLO-UHFFFAOYSA-N 311.360 3.367 0 40 DGAB Cc1cc([C@@H]2CCCCCN2Cc2c(C)nn(C)c2C)no1 12186590 UMJKARGYHQAWPI-KRWDZBQOSA-N 302.422 3.451 0 40 DGAB CCCc1cc(CNC(=O)C2(c3ccccc3F)CC2)on1 12192385 GTFXRRKTBWAZMQ-UHFFFAOYSA-N 302.349 3.114 0 40 DGAB C[C@H](NC(=O)CCc1ccncc1)c1ccc2c(c1)CCCO2 19458873 UHOQKTQJGIXUSU-AWEZNQCLSA-N 310.397 3.217 0 40 DGAB COc1cccc(C(=O)Nc2ccc(Br)cc2N)c1 20520929 ZHPIMYMIDJSENG-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(C(C)=O)cc1COc1ccc2c(c1)OCO2 6231661 KNZSAANBMJINLC-UHFFFAOYSA-N 300.310 3.206 0 40 DGAB CC(=O)OC(C)(C)C(=O)N[C@@H](C)Cc1csc2ccccc12 575620964 NENKRAGRVWUQLY-NSHDSACASA-N 319.426 3.290 0 40 DGAB CCOc1ccc(NC(=O)c2c(N)sc(C(C)=O)c2C)cc1 8324232 ZGARKXVZZHRTKN-UHFFFAOYSA-N 318.398 3.492 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)OCc1ccccc1 78495488 BVUZRTUBVZIRSQ-KRWDZBQOSA-N 324.380 3.426 0 40 DGAB CCCN(Cc1ccc(C)cc1)C(=O)CCN1CCSC1=O 40047679 OECRSLGBCABIJD-UHFFFAOYSA-N 320.458 3.293 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)N[C@@H](C)c1cccs1 40120693 QJHHNXTVGNGBLS-LBPRGKRZSA-N 319.430 3.491 0 40 DGAB Cc1ccccc1OCCOC(=O)c1ccc(N)cc1Cl 40158635 SAIORYMWOAHYQB-UHFFFAOYSA-N 305.761 3.466 0 40 DGAB O=C1N[C@H](Cc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 40159367 NTHOPFHTWZSMRL-GFCCVEGCSA-N 320.801 3.065 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)Cc2c(C)noc2C)c1 30527303 LDHOGRRQTJUTEA-UHFFFAOYSA-N 324.384 3.026 0 40 DGAB O=C(N1C[C@H]2CC[C@H]1C2)C1(c2cccc(Cl)c2)CCOCC1 101003375 SHKMJNHNOSXKLU-BBRMVZONSA-N 319.832 3.399 0 40 DGAB CCOC(=O)c1cc(-c2cc(Br)cs2)on1 1857793999 PLRLJYDUMIFXON-UHFFFAOYSA-N 302.149 3.342 0 40 DGAB CN(C)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 189361 ZVKWKVBRZGMCEC-UHFFFAOYSA-N 301.415 3.340 0 40 DGAB C[C@@H]1C[C@H](N2Cc3ccccc3[C@H](c3ccccc3)C2)C(=O)O1 46054970 YJVZAMGMWROHDL-CCKFTAQKSA-N 307.393 3.338 0 40 DGAB CSc1ncccc1C(=O)Nc1cccc(Cn2cccn2)c1 32468215 LQOXJOHRVLMZGB-UHFFFAOYSA-N 324.409 3.301 0 40 DGAB COc1ccc(NC(=O)COc2cccc(C)c2)cc1OC 361810 YAJPZAUIINQVEG-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(OC)c(OC)c1 1016960 QEXDGOZGBZNPOL-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)c(F)c1F 2638816 XUEZQPJEZLMKRD-SNVBAGLBSA-N 320.314 3.494 0 40 DGAB CC(=O)O[C@H](c1ccnc2ccccc12)[C@@H]1CC2CCN1CC2 1680261 AQPAKLCDHXUDCB-RBUKOAKNSA-N 310.397 3.323 0 40 DGAB CC[C@@H](C)NC(=O)c1nccnc1-c1nc2ccccc2s1 32743612 IKPPIAAFOLHRHP-SNVBAGLBSA-N 312.398 3.282 0 40 DGAB C[C@@H](NC[C@@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 4263205 BPKGMOLMHLPQOF-DNVCBOLYSA-N 311.425 3.266 0 40 DGAB CCc1cc2c(COC(=O)[C@@H](C)CC)cc(=O)oc2cc1O 32899306 ZWMGQHOIDDIWCU-JTQLQIEISA-N 304.342 3.150 0 40 DGAB Cc1ncccc1C(=O)Nc1cccc(Oc2cccnn2)c1 84041712 MECCNJARSFPEHY-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB CCOc1c(Cl)cc(C(N)=O)cc1OCc1ccccc1 6350816 GXWDXQXIURZNEA-UHFFFAOYSA-N 305.761 3.417 0 40 DGAB COc1ccc2sc(N(Cc3ccco3)C(C)=O)nc2c1 10527979 OTASUGIESPMDGK-UHFFFAOYSA-N 302.355 3.451 0 40 DGAB CC(C)c1nnc(CN2CCC[C@@H]2C[C@H](O)c2ccccc2)o1 76075612 REBLMNPNYVNPHD-CVEARBPZSA-N 315.417 3.281 0 40 DGAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1cc(C)no1 22814053 XUQBWTHWOAEUTI-SNVBAGLBSA-N 323.780 3.393 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2C(=O)c2cc(Cl)c[nH]2)no1 76044558 OZYHUHLQUPZCEG-NSHDSACASA-N 308.769 3.152 0 40 DGAB Cc1cc(C(=O)N2CCO[C@H](C)C2)c(C)n1Cc1cccs1 54214847 YSEQQJTWVUTSJX-CYBMUJFWSA-N 318.442 3.076 0 40 DGAB O=C(CSCc1ccccc1)NCCSc1ccccn1 20237667 CWGFYPKLPZIFLP-UHFFFAOYSA-N 318.467 3.223 0 40 DGAB CCc1ccc(OCC(=O)NCCOc2cccc(C)c2)cc1 21785240 BOPWBPDEKXGPFD-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCOP(=O)(CN(CC)CCc1ccccn1)OCC 24494924 RXCWAHVDOPISQG-UHFFFAOYSA-N 300.339 3.170 0 40 DGAB CC[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1cccs1 56354725 HOUAEMTZSUIZIV-LBPRGKRZSA-N 318.398 3.427 0 40 DGAB O=C(NCc1ccccc1)Nc1ccc(NC(=O)NC2CC2)cc1 25229702 CQSWNKZPRRKEGL-UHFFFAOYSA-N 324.384 3.292 0 40 DGAB Cc1cc2nc(NCCCN3CCOCC3)sc2cc1C 61968156 FUPDKLMATGYMQP-UHFFFAOYSA-N 305.447 3.047 0 40 DGAB COc1ccc(Cl)cc1NC(=S)NC(=O)C(C)(C)C 21596388 NZRZBBQHVXSGKY-UHFFFAOYSA-N 300.811 3.208 0 40 DGAB O=C(OCC(=O)c1ccc(Cl)cc1Cl)c1ccccn1 3234755 YIMSJMMTMULKQT-UHFFFAOYSA-N 310.136 3.428 0 40 DGAB O=C(COC(=O)/C=C/c1cccc(F)c1)NC1CCCCCC1 3246837 YUXOVWXFXADYDJ-ZHACJKMWSA-N 319.376 3.221 0 40 DGAB Cn1cccc1[C@H]1CCCN1Cc1nnc(-c2ccccc2)o1 58068036 KIMBJYAUXRRJOH-MRXNPFEDSA-N 308.385 3.412 0 40 DGAB COC(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)s1 44859964 DQJJQSLOEDVHBD-RYUDHWBXSA-N 307.415 3.187 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 58264452 JQNIQVXJFIVLAX-KRWDZBQOSA-N 300.446 3.205 0 40 DGAB CCOc1ccccc1NC(=O)CCc1c(C)nn(C)c1C 10660184 LMEIZUIZUCYECF-UHFFFAOYSA-N 301.390 3.007 0 40 DGAB COc1ccc([C@H]2CCCN2[C@@H](C(N)=O)c2ccccc2)cc1 12796079 JNUDRXJXTSTTNA-QZTJIDSGSA-N 310.397 3.059 0 40 DGAB COc1ccc(/C=C/C(=O)NCCOc2ccc(F)cc2)cc1 29294821 JBXLRUFZPQALGX-NYYWCZLTSA-N 315.344 3.043 0 40 DGAB CC(=O)NCc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1 8727286 RVHQHCDATVGNIK-UHFFFAOYSA-N 317.414 3.041 0 40 DGAB Cc1cnc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)s1 12925153 CCLZQTGTMUQLDK-UHFFFAOYSA-N 320.462 3.492 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)o2)cc1 48909021 NEPLUOGASGVCMI-LBPRGKRZSA-N 314.385 3.046 0 40 DGAB C[C@@H]1CC[C@@H](Nc2cc(Cl)ccc2CS(C)(=O)=O)C1 92169824 IXGNOURLOVKHSU-ZWNOBZJWSA-N 301.839 3.485 0 40 DGAB c1cncc(Nc2ncc(-c3ccncn3)c(-c3ccco3)n2)c1 13981593 YRPIMMMBNUUYLG-UHFFFAOYSA-N 316.324 3.332 0 40 DGAB in-vitro CN(C)C1CCN(C(=O)CCCc2c[nH]c3ccccc23)CC1 65462605 XEJFICMUXWWYQK-UHFFFAOYSA-N 313.445 3.043 0 40 DGAB C[C@@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ccncc1 65607805 JVOPFXNWLVJCAA-JATZPVMKSA-N 322.817 3.386 0 40 DGAB CCC(=O)Nc1cccc(C(=O)Nc2nnc(C(C)C)s2)c1 4502997 DWTMGFRLLHJZBP-UHFFFAOYSA-N 318.402 3.262 0 40 DGAB CC(=O)c1ccc(OC[C@@H](O)CNC2CCCCCCC2)cc1 6649851 HJPMJYLHJNOKIC-SFHVURJKSA-N 319.445 3.331 0 40 DGAB COc1ccc(CCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744872 HQGHZKLEXFFEKD-UHFFFAOYSA-N 324.336 3.259 0 40 DGAB O=C(c1n[nH]nc1Nc1ccc(Cl)cc1)N1CCCCCC1 67284286 OMBWRRMPPVJYPJ-UHFFFAOYSA-N 319.796 3.218 0 40 DGAB O=C(Nc1ccc(F)cc1F)N1CCc2ccccc2[C@H]1CO 79075967 KOBBYCOWOUCLAO-MRXNPFEDSA-N 318.323 3.088 0 40 DGAB Cc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 7126163 ABXGXXQEACNJEC-UHFFFAOYSA-N 308.381 3.370 0 40 DGAB Cc1cc(CC(=O)Nc2cc(F)cc(Br)c2)no1 84117006 ZOZDSUDANKWSDD-UHFFFAOYSA-N 313.126 3.066 0 40 DGAB Fc1ccccc1COC1CCN(Cc2cncs2)CC1 97051435 ZHZSEBVKZXLPGS-UHFFFAOYSA-N 306.406 3.463 0 40 DGAB CSC1=NCCN1C(=O)c1sc(-c2ccc(C)o2)nc1C 72297907 CPUKJCCUGYMZBO-UHFFFAOYSA-N 321.427 3.195 0 40 DGAB O=C(NCc1ccccc1Cl)c1csc(NC2CC2)n1 61720434 HWJHZNLSKITFHR-UHFFFAOYSA-N 307.806 3.301 0 40 DGAB Cc1cccc(CCNC(=O)NC[C@@H](C)c2nccs2)c1 97109965 RVGKCUYDHLAHHE-CYBMUJFWSA-N 303.431 3.097 0 40 DGAB O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@H]1CCCO1 71909663 FKZMZRCHSFSZFN-LSDHHAIUSA-N 301.411 3.327 0 40 DGAB Cc1nn(C)cc1C(=O)Nc1ccc2nc(C(C)(C)C)[nH]c2c1 71904528 MDXOCPKKLBDRQD-UHFFFAOYSA-N 311.389 3.155 0 40 DGAB Cc1cnc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)s1 9690046 WWCJRCKOLCGNDC-UHFFFAOYSA-N 324.789 3.057 0 40 DGAB COc1cc(/C=C/C(=O)c2csc(C(=O)O)c2)ccc1O 83923456 IYUXTTHPECSTLC-DUXPYHPUSA-N 304.323 3.057 0 40 DGAB C[C@H](NC(=O)Nc1cnc(C2CC2)nc1)[C@H]1COc2ccccc21 95437905 UGEBUXPIJZDQSO-XHDPSFHLSA-N 324.384 3.040 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CCc1ccc(Cl)cc1)C(=O)O 95749098 HIRGYZSRNFOLSK-GFCCVEGCSA-N 313.781 3.251 0 40 DGAB C[C@H](NC(=O)c1cccc2cc[nH]c12)[C@H]1COc2ccccc21 89894446 SYXYUFMOEGSQDV-BLLLJJGKSA-N 306.365 3.462 0 40 DGAB CC(=O)N1CCC(CCNc2ccc3ccc(F)cc3n2)CC1 89930482 NDURITMZMVURSY-UHFFFAOYSA-N 315.392 3.434 0 40 DGAB Cc1cc(C(=O)NCc2ncc[nH]2)c(C)n1C1CCCCC1 114125991 MVSDTAVMBUNJON-UHFFFAOYSA-N 300.406 3.263 0 40 DGAB CN1Cc2ccccc2-c2nc(NCc3cccnc3)ncc2C1 306144352 ZDAMRHDXJQIRRT-UHFFFAOYSA-N 317.396 3.096 0 40 DGAB Cc1ccc(F)c(CCNC(=O)c2cnc(C(C)(C)C)nc2)c1 516850967 PGZYHFFDQAVFHZ-UHFFFAOYSA-N 315.392 3.194 0 40 DGAB COc1cccc(OC)c1C(=O)N[C@H](C)c1ccc(F)cc1 216463950 IXDZUFFIRHBRCO-LLVKDONJSA-N 303.333 3.334 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H](C)C2)CC1 1054792141 FUHDARDIFUFHMK-QAETUUGQSA-N 322.493 3.262 0 40 DGAB CC[C@H](NC(=O)Nc1cccnc1Cl)c1c(C)nn(C)c1C 75536247 FFBXLORUPOCICJ-NSHDSACASA-N 321.812 3.358 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c1C 44663085 GMNBAVQFLIEFOB-YWPYICTPSA-N 318.442 3.257 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1CC 222897425 AXLUDRBJUUBVDN-HOTGVXAUSA-N 314.458 3.286 0 40 DGAB CCOC(=O)c1ccc(N2CCCCC2=O)c(C(F)(F)F)c1 199818927 ZTKIGKCBDKPUTR-UHFFFAOYSA-N 315.291 3.399 0 40 DGAB COC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1OC 41080927 JGPIFBOCEHRRLU-UHFFFAOYSA-N 306.749 3.461 0 40 DGAB CCOc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 48331629 YUBXGISHQFSBIT-ZDUSSCGKSA-N 302.201 3.285 0 40 DGAB CCOc1ncc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1C 225889857 RSALYXIVETWHJT-YVEFUNNKSA-N 306.406 3.323 0 40 DGAB Cc1ccc2c(CN3CCC[C@@H](c4ncc[nH]4)C3)cc(=O)oc2c1 95405688 SQGKEBIHEVQWGW-CQSZACIVSA-N 323.396 3.204 0 40 DGAB Cc1ncc(CN(C)C(=O)[C@H]2SCCc3ccccc32)s1 96430633 WZTOGYFKDMAXHT-HNNXBMFYSA-N 318.467 3.441 0 40 DGAB C[C@@]1(C(=O)NCc2ccco2)CC(c2ccccc2Cl)=NO1 96192862 YYZXRISVKYJEFW-INIZCTEOSA-N 318.760 3.133 0 40 DGAB C[C@@H](CNC(=O)NC[C@H](C)c1ccsc1)c1nccs1 96502690 DDHUCTVJUCDXJD-QWRGUYRKSA-N 309.460 3.411 0 40 DGAB Cc1cc2nc(CO[C@H]3CN(C4CCC4)C[C@H]3F)[nH]c2cc1C 96112334 MHXJOKVOQNSTET-PBHICJAKSA-N 317.408 3.271 0 40 DGAB biogenic,in-vitro CCc1csc(NC(=O)N[C@@H](COC)c2ccc(C)o2)n1 96446020 FKNVNSBKHRRBJX-NSHDSACASA-N 309.391 3.116 0 40 DGAB CC(C)[C@@H]1C[C@H](Cc2nc(-c3ccc(O)cc3)no2)CCO1 331245247 TVNQUFFNRYSYEO-DOMZBBRYSA-N 302.374 3.436 0 40 DGAB C[C@@H](NC(=O)N[C@H](C1CCCC1)C(F)(F)F)C1CCOCC1 97377913 IAHNDYFCEOUIDT-ZWNOBZJWSA-N 322.371 3.222 0 40 DGAB C[C@H](NC[C@@H](C)CS(C)(=O)=O)c1cccc(Cl)c1Cl 96491892 LSIARAVUBVWMJE-ZJUUUORDSA-N 324.273 3.325 0 40 DGAB CCNc1cc([C@H]2CCCN2Cc2ccc(F)cn2)nc(C)n1 257246600 IUVLCDFJPLGEQR-MRXNPFEDSA-N 315.396 3.088 0 40 DGAB CN(C)c1cc([C@H]2CCCN(C(=O)c3ccccc3)C2)ccn1 257226007 FITNKDGHTOSWTH-KRWDZBQOSA-N 309.413 3.167 0 40 DGAB Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2cccc(F)c2)n1 257331712 XTYJVEORGTWPDA-GOSISDBHSA-N 313.376 3.004 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)no1 257242419 ICKCZCHRKDHKRD-LLVKDONJSA-N 305.403 3.103 0 40 DGAB COc1ccccc1-c1noc([C@H](C)C(=O)OC(C)(C)C)n1 585120238 BCSWKCRQBSOAEC-JTQLQIEISA-N 304.346 3.190 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccccc3C(=O)O)cn2)C1 257260690 LDXJRXHUOVGYOB-OAHLLOKOSA-N 324.380 3.173 0 40 DGAB CCc1ncncc1C(=O)N[C@@H](C)c1ccc(OC(C)C)cc1 44485268 DEMGFVSGQBGVJZ-ZDUSSCGKSA-N 313.401 3.317 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccccc1Cl 71859010 CHWKAYKSMUQPMH-PRWKNARSSA-N 313.850 3.036 0 40 DGAB O=C(O)c1ccc(NC(=O)c2ccncc2Cl)cc1Cl 91449324 WHRPHBXMCRAJBL-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB Ic1ccc(OCc2ccccc2)nc1 34580419 AUMSMXGJLCUFMV-UHFFFAOYSA-N 311.122 3.265 0 40 DGAB CCCCCC[C@]1(C/C=C(/C)Cl)C(=O)N=C(S)NC1=O 5524326 KPAIANDMGNWJPK-YFHOEESVSA-N 316.854 3.418 0 40 DGAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 226301857 BCADCOQHPQXING-RYUDHWBXSA-N 314.385 3.087 0 40 DGAB C[C@H](C1CC1)n1cc(NC(=O)N(C)C2Cc3ccccc3C2)cn1 548000103 ZVUIDNRVDBAEOZ-CYBMUJFWSA-N 324.428 3.485 0 40 DGAB CCCNC(=S)NC1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 8672234 XTBSJEMNSRKZOS-ALOPSCKCSA-N 317.502 3.056 0 40 DGAB Cc1cnc([C@@H]2CCCN2C(=O)c2cc3cccc(F)c3[nH]2)[nH]1 1848352219 IEUQYGSSTSHJSA-AWEZNQCLSA-N 312.348 3.316 0 40 DGAB O=C(Nc1nnc(S)s1)c1ccccc1C(F)(F)F 8380113 QKJYOKGYBLEOHW-UHFFFAOYSA-N 305.306 3.098 0 40 DGAB O=S(=O)(NCCc1ccsc1)c1ccc2c(c1)CCCC2 13725271 YAQFPAFUJQZQTC-UHFFFAOYSA-N 321.467 3.148 0 40 DGAB CCCc1nnsc1C(=O)N1CC[C@@H](c2ccccc2)C1 38567065 OJUNYTBJAJOBBU-CYBMUJFWSA-N 301.415 3.120 0 40 DGAB COc1ccc(CN=c2cc(C3CCC3)nc(C)[nH]2)c(OC)c1 2298065713 RGGSTHICZUTTGO-UHFFFAOYSA-N 313.401 3.104 0 40 DGAB COc1ccccc1[C@@H]1NC(=O)c2c(sc3c2CCCC3)N1 565714 HDWIUGOCUBQWOK-OAHLLOKOSA-N 314.410 3.490 0 40 DGAB O=C(COc1ccc(Cl)cc1)N1CCOc2ccccc21 30578400 QIFKTJFYLDTPNM-UHFFFAOYSA-N 303.745 3.144 0 40 DGAB COc1cccc(-c2nc(C(=O)NC(C)(C)C)cs2)c1OC 40493808 OVARTBIYQULGGN-UHFFFAOYSA-N 320.414 3.356 0 40 DGAB O=C(Cc1cccs1)NCc1csc(Br)c1 40516536 OUEOLPYYEYBFBB-UHFFFAOYSA-N 316.245 3.431 0 40 DGAB COCc1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 11759544 UXSTZEZTJLXUBU-UHFFFAOYSA-N 313.353 3.247 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2cc(C3CC3)nn2C(C)(C)C)o1 68509509 VTKCBCPNZLEONW-SECBINFHSA-N 318.377 3.125 0 40 DGAB O[C@H]1CCCN(C(=S)Nc2ccc(SC(F)F)cc2)C1 8692199 LQVGPVVHJSEFRH-JTQLQIEISA-N 318.414 3.155 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2ccc(N(C)C)nc2)C1(C)C 46387279 QSFDTRIMHCFJMA-HOCLYGCPSA-N 301.434 3.002 0 40 DGAB C[C@@H]([C@H](O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 1639150 USWUWAGJWLNXBZ-CBAPKCEASA-N 302.214 3.212 0 40 DGAB COc1ccccc1OCCC(=O)NCc1ccc(Cl)cc1 2625362 REAUVMUGZPLIFE-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB O=S(=O)(Nc1ccc2c[nH]nc2c1)c1ccc(Cl)cc1 4625517 ALCTZFTWBPOPAW-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB O=C(NCC(F)(F)F)c1cc(-c2ccccc2Cl)[nH]n1 32824915 WIILVPFJEROHAC-UHFFFAOYSA-N 303.671 3.022 0 40 DGAB C[C@H](SCc1ccc(CS[C@H](C)C(=O)O)cc1)C(=O)O 6182875 UUMQQJSRFZVGKG-AOOOYVTPSA-N 314.428 3.099 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(C)c(C)c2)cc1 6814699 FGQYLPSZRFJVOO-UHFFFAOYSA-N 317.410 3.024 0 40 DGAB O=C(O)Cc1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383358 XTCBNNPVJGWDRE-UHFFFAOYSA-N 324.380 3.166 0 40 DGAB CN1C(=O)C(C)(C)COc2ccc(NC(=O)c3ccccc3)cc21 8959404 MQERRTWIVMAXAA-UHFFFAOYSA-N 324.380 3.320 0 40 DGAB CCO[C@@H](C)c1nc(CN2CCC[C@@H]2c2noc(C)n2)cs1 76018103 ZJRWWNRSBUKSRO-GXFFZTMASA-N 322.434 3.269 0 40 DGAB Cn1c(CSCC(=O)Nc2ccccc2)nc2ccccc21 59461551 CFVVJSBDOORMAM-UHFFFAOYSA-N 311.410 3.445 0 40 DGAB Cc1nn(CCC(=O)Nc2ccnn2C(C)C)c2ccccc12 57279970 OAROPKMCXGQGNN-UHFFFAOYSA-N 311.389 3.151 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@H]1C[C@H]1[N+](=O)[O-] 47242352 LLSQNJOAJVFYEM-WDEREUQCSA-N 313.338 3.053 0 40 DGAB CCc1nc2ccccc2n1CC(=O)N1CCc2ccccc21 22558488 HKQIHOSSJXFHKU-UHFFFAOYSA-N 305.381 3.188 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)s1)c1n[nH]c2ccccc12 23078002 ALRRZPFBQUDUCC-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB COc1ccc(NC(=O)NCC[C@H](O)c2ccccc2)cc1F 76094409 XTNHZXNZHFNXJE-HNNXBMFYSA-N 318.348 3.080 0 40 DGAB C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cncn2)cc1 104649563 BQUCIFFUPMZVGL-YQFWSFKMSA-N 324.428 3.271 0 40 DGAB C[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 104676489 RIVKZOSGWNGRPP-HLNSEHPISA-N 313.397 3.229 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 27761929 JLYRCXBSUUSMEE-UHFFFAOYSA-N 310.397 3.013 0 40 DGAB COc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1F 24937366 JRYXUUITMWYWSU-UHFFFAOYSA-N 320.339 3.315 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cc(F)ccc2F)c1C 57472222 ZTJCWWIOXNJKRJ-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CC(C)c1noc([C@H](C)Nc2ccc3c(c2)CCC(=O)N3)n1 27018292 XPWKRCXNVUCLJR-JTQLQIEISA-N 300.362 3.251 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1C 12626109 ZELFICVEVLPQGJ-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB COc1ccccc1SCc1cc(=O)n2c(C)csc2n1 58247308 FUCIRLFARFZVTC-UHFFFAOYSA-N 318.423 3.365 0 40 DGAB CC(C)n1nccc1NC(=O)Cn1c(C2CC2)nc2ccccc21 58343796 UOHNRVIGSJTEPF-UHFFFAOYSA-N 323.400 3.330 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]2CCCC[C@@H]21 58330784 VCMMXBRKCAIZTI-ZBFHGGJFSA-N 310.401 3.062 0 40 DGAB Clc1cccnc1SCc1nnnn1-c1ccccc1 11250482 AOLODQFNXQJDQX-UHFFFAOYSA-N 303.778 3.003 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1c(C)nn(C(C)C)c1C 65003706 BLCGDFBNWBQMEG-UHFFFAOYSA-N 317.437 3.002 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 29274231 WZKWOHFDQXWOMX-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB O=C(O)/C=C/c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 12992833 QNDGQLMPQIQRAE-YRNVUSSQSA-N 321.376 3.454 0 40 DGAB COc1ccc([C@@H](NC(=O)CN2CCCC[C@@H]2C)C(C)C)cc1 12918008 JLOVKSUFLAXQEE-KXBFYZLASA-N 318.461 3.383 0 40 DGAB Clc1ncc(COc2ccccc2CN2CCOCC2)s1 12959185 WBOSEFBYLOFTGW-UHFFFAOYSA-N 324.833 3.208 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2cccc(COC)c2)CC1 49076244 FEGDOQAEZSYKLH-UHFFFAOYSA-N 318.461 3.027 0 40 DGAB Fc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1 5032587 FVUUCZYAMKDUDY-UHFFFAOYSA-N 313.380 3.148 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cn1 5062339 ZNWBNHINRDPLNF-UHFFFAOYSA-N 306.749 3.070 0 40 DGAB CCOCCCNC(=O)c1ccc(CN2CCC[C@H](C)C2)cc1 20493041 BFQNIOXUKSTTLD-INIZCTEOSA-N 318.461 3.075 0 40 DGAB CC(=O)NCCC(=O)Nc1ccc(Oc2cccc(C)c2)cc1 6261158 BZKSPNLLSVDWHB-UHFFFAOYSA-N 312.369 3.252 0 40 DGAB Cc1ccsc1C(=O)N1CCC(Nc2cccnc2)CC1 69528094 HAEQWUZPJFSQNF-UHFFFAOYSA-N 301.415 3.168 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1cnc(-c2ccccc2)nc1 65613987 WUZUXQRIDJOOBU-UHFFFAOYSA-N 319.364 3.121 0 40 DGAB O=C1C(=O)N(CCCOc2ccc(Cl)cc2)c2ccccc21 4503910 DQMRJUWZFGKFQG-UHFFFAOYSA-N 315.756 3.338 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(F)cc1Cl 69699787 NGWGUYMFIHZAEM-GJZGRUSLSA-N 310.800 3.178 0 40 DGAB Nc1nc(SCc2csc(-c3ccccc3Cl)n2)n[nH]1 8515872 NAFWTNRZUOABKS-UHFFFAOYSA-N 323.834 3.456 0 40 DGAB COc1ccc(/C=C/C(=O)n2cnc3ccccc32)cc1OC 5527259 VCSJJFCIVRIZHA-CSKARUKUSA-N 308.337 3.407 0 40 DGAB CSc1ncc(Cl)c(C(=O)NCc2ccc(C)cc2)n1 6810424 ILFRITVAVLHJRR-UHFFFAOYSA-N 307.806 3.090 0 40 DGAB CN(C)CCN(Cc1cccs1)C[C@H]1CCOC(C)(C)C1 21151193 RRNGTPCUDMLNBW-HNNXBMFYSA-N 310.507 3.317 0 40 DGAB COc1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1F 90162872 XYXAGQGWMJSPNW-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB CCN(Cc1cccc2c1OCO2)C(=O)c1cc(C(C)C)no1 70817668 MQWRBVTXVSMRBN-UHFFFAOYSA-N 316.357 3.189 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@H](O)c1ccccc1 72253616 LHYWQDZDKOKJEQ-CABCVRRESA-N 319.836 3.252 0 40 DGAB Cc1c(-c2ccccc2)nc(SC[C@@H]2CCCCO2)[nH]c1=O 97148297 BGNQCVVHMAGPKR-AWEZNQCLSA-N 316.426 3.407 0 40 DGAB CC1CCC(N(C[C@H]2CCCO2)C(=O)Cc2cccnc2)CC1 96425778 CQJLCSOSIFLBBN-VMWRSERWSA-N 316.445 3.210 0 40 DGAB C[C@@H](CNC(=O)CCc1ccccn1)c1ccc(F)c(F)c1 96432598 FZUQBGVGEJQVFI-LBPRGKRZSA-N 304.340 3.212 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)on1 71820960 BBOLXEFCQFOFKQ-AWEZNQCLSA-N 316.405 3.220 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccccc1Cl 71859012 CHWKAYKSMUQPMH-YBTHPKLGSA-N 313.850 3.036 0 40 DGAB CCCCN(CC)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9723051 CZVPOYPPLXXNBO-LLVKDONJSA-N 306.431 3.382 0 40 DGAB CC(=O)c1ccc(S(C)(=O)=O)c(NCCc2cccs2)c1 78876115 IZQLVGQZSMJHOW-UHFFFAOYSA-N 323.439 3.009 0 40 DGAB Cc1ccc(CCC(=O)NCc2nc3cccc(C)c3n2C)o1 95429877 CQJZRPAVSYEGEN-UHFFFAOYSA-N 311.385 3.032 0 40 DGAB C[C@@H](NC(=O)Nc1cnc(C2CC2)nc1)[C@H]1COc2ccccc21 95437906 UGEBUXPIJZDQSO-IAQYHMDHSA-N 324.384 3.040 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccco1)c1ccc(Cl)c(F)c1 95989781 STRDILKBAVKRSJ-LLVKDONJSA-N 311.696 3.018 0 40 DGAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1ccc(Cl)cn1 95979603 OLNIQJXJYFZASH-VIFPVBQESA-N 308.790 3.188 0 40 DGAB C[C@H]1C[C@H](c2ccccc2)C[C@H](NCC(C)(C)S(C)(=O)=O)C1 95968928 SMLZMTDMNPUKHY-BHYGNILZSA-N 323.502 3.372 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)c(=O)[nH]1 75118682 HSQFULLADUZDAV-OAHLLOKOSA-N 316.426 3.406 0 40 DGAB Cc1cc(CN(C)C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)no1 89601051 GEDJCFAHRJIEHH-GJZGRUSLSA-N 304.777 3.399 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951240 LKLAZQTUPPBQSF-UTJXIGIESA-N 303.402 3.157 0 40 DGAB CC[C@@H](C)Oc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 409189858 UIPJQJGPFFUHKT-YXYQAXARSA-N 308.765 3.040 0 40 DGAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1cccc(Cl)c1 36635794 XPDOTBWDHBOFMA-CQSZACIVSA-N 318.735 3.223 0 40 DGAB Cc1cnc(Nc2ccc(C34CCC(CC3)CC4)cc2)n(N)c1=O 408978525 IXSHPZWIJXPGRN-UHFFFAOYSA-N 324.428 3.231 0 40 DGAB COc1ccc(-c2noc([C@H]3C[C@@H]3c3cccnc3)n2)cc1OC 78773619 MTNKWECNGFMYTQ-KGLIPLIRSA-N 323.352 3.420 0 40 DGAB COC(=O)c1ccccc1-c1nc(-c2cccc(OC)c2)no1 78401087 JYYMWXWBTLSPRY-UHFFFAOYSA-N 310.309 3.199 0 40 DGAB Cc1ccc(CCC(=O)NC[C@H]2COc3ccccc32)cc1F 675007895 AEBSHDXGKSZFTA-HNNXBMFYSA-N 313.372 3.359 0 40 DGAB COc1ccc(-c2nnsc2C(=O)NC2CCCCC2)cc1 36365657 RMNKCJJKPIMJGW-UHFFFAOYSA-N 317.414 3.276 0 40 DGAB Cc1cc(C(=O)N(Cc2ccsc2)Cc2ccccn2)no1 44445930 OIOYRTJPVHHHQG-UHFFFAOYSA-N 313.382 3.282 0 40 DGAB CCCOc1ccc(NC(=O)C(Cl)(Cl)Cl)c(C)n1 225879152 MVMAGVDJIBMASU-UHFFFAOYSA-N 311.596 3.488 0 40 DGAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1cccc(C)c1 199416045 SGRGJVDMPPTZKH-IBGZPJMESA-N 309.409 3.485 0 40 DGAB Cc1ccnc(NC(=O)[C@H](C)n2cc(-c3ccccc3)cn2)c1 227165950 FMVDJMQDEIOHFC-AWEZNQCLSA-N 306.369 3.453 0 40 DGAB CC(C)CCC(=O)NCC(=O)N1CCCCC[C@@H]1c1ccco1 96413199 YVRIATFFOACLEF-OAHLLOKOSA-N 320.433 3.276 0 40 DGAB CCN(Cc1cnn(C)c1)C(=O)Nc1ccc(F)c(Cl)c1 97098792 XRZOEAZSQFPOOL-UHFFFAOYSA-N 310.760 3.267 0 40 DGAB c1cnc2c(CNc3ccc(-n4ccnn4)cc3)cccc2c1 96482837 OFSVXQPLLXSHJC-UHFFFAOYSA-N 301.353 3.428 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2N[C@@H]1CCc2[nH]ncc2C1 90456004 JPMPUHWZCBZPEI-RHSMWYFYSA-N 309.413 3.303 0 40 DGAB CN(C(=O)NC[C@H]1CCN(C2CC2)C1)C1CCCCCCC1 96402616 CCUANVDPZSDPTH-OAHLLOKOSA-N 307.482 3.225 0 40 DGAB Cc1nc(CSc2nc(O)cc(C(F)(F)F)n2)oc1C 96411933 RWMIORMRCACSJB-UHFFFAOYSA-N 305.281 3.098 0 40 DGAB Cc1oncc1NC(=O)c1ccc(C(=O)OC(C)(C)C)cc1 92768259 WMPQGNJGHNCNAK-UHFFFAOYSA-N 302.330 3.191 0 40 DGAB Cc1cc(C)n(Cc2ncc(-c3ccccc3C(=O)O)s2)n1 257287194 POXFHFGUSDODHM-UHFFFAOYSA-N 313.382 3.370 0 40 DGAB O=C(NCc1ccccn1)Nc1ccccc1N1CCCCC1 53249788 GXCLPVRQVQBVFO-UHFFFAOYSA-N 310.401 3.394 0 40 DGAB CCN(Cc1ccc(C(=O)Nc2cc(C)on2)cc1)C(C)C 58343826 FAMWLMKLSWBPKJ-UHFFFAOYSA-N 301.390 3.466 0 40 DGAB Cc1csc(N2CCC[C@@H](C(=O)N(C)C3CCCCC3)C2)n1 58162863 NOCBTXYGGOQVOW-CQSZACIVSA-N 321.490 3.459 0 40 DGAB CN(CCC1CCCCC1)C(=O)c1cccc(S(C)(=O)=O)c1 69460330 JYATWVBVYJUEPO-UHFFFAOYSA-N 323.458 3.133 0 40 DGAB CCCCNC(=S)NC(=S)Nc1ccc(Cl)cc1 5782044 HSYNUSGZRAMUGD-UHFFFAOYSA-N 301.868 3.301 0 40 DGAB COc1cccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19565326 LSCJARFBTCSRKH-NZSAHSFTSA-N 312.457 3.025 0 40 DGAB CC(C)n1ncc2cc(NC(=O)c3cc(Cl)c[nH]3)cnc21 29066430 UWVYMECBEZHMCH-UHFFFAOYSA-N 303.753 3.246 0 40 DGAB Cc1cc(C)c(CNC(=O)C2(c3ccccc3)CCCC2)c(=O)[nH]1 32426220 OPMWENDSDAKBNK-UHFFFAOYSA-N 324.424 3.120 0 40 DGAB CCCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4)[C@H]3C2=O)cc1 4103959 NJXUPJUXAUDVRP-AZQPONJRSA-N 311.381 3.177 0 40 DGAB C[C@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@@H]2C)n1 4573496 VMLHWBORKYUJSA-RYUDHWBXSA-N 309.845 3.283 0 40 DGAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@H](n2ccnn2)C1 206927639 FSZUOGAQJZFZIZ-INIZCTEOSA-N 324.409 3.094 0 40 DGAB O=C(/C=C/c1ccoc1)NC1(c2cccs2)CCOCC1 575607763 OQHHIYSEYCGFGZ-ONEGZZNKSA-N 303.383 3.176 0 40 DGAB CC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 586259677 HGRMDWGRFPUGQE-UHFFFAOYSA-N 323.801 3.368 0 40 DGAB O=C(NC(=S)Nc1cccnc1Cl)c1ccccc1F 248645 DJLMNZFDJBKACB-UHFFFAOYSA-N 309.753 3.001 0 40 DGAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 87488 AVLALOHVMAFLHK-CYBMUJFWSA-N 324.789 3.044 0 40 DGAB CCn1ccnc1SCC(=O)Nc1cccc(SC)c1 11606070 SDUUVELGRPPRHG-UHFFFAOYSA-N 307.444 3.356 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@@H]2CC(=O)N(CC(C)C)C2)c(C)s1 46239499 YRXBGBSTYIAHCZ-GXTWGEPZSA-N 322.474 3.047 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1ccccc1Cl 385993 HFIBYGZVGQBMBN-ZDUSSCGKSA-N 324.789 3.044 0 40 DGAB O=C(CCc1ccsc1)Nc1ccc(C(=O)NC2CC2)cc1 32869271 DJPDBTMWFBMWPK-UHFFFAOYSA-N 314.410 3.212 0 40 DGAB CC(=O)Cn1c(=S)n(-c2ccccc2)c(=O)c2ccccc21 6856629 BOQSEXAVATUOMO-UHFFFAOYSA-N 310.378 3.111 0 40 DGAB CC(C)Sc1nnc(NC(=O)COc2ccccc2)s1 7321718 UZIJBXXEKQRJBV-UHFFFAOYSA-N 309.416 3.056 0 40 DGAB Nc1c2c(=O)oc(-c3ccccc3)cc2nn1-c1ccccc1 481594 WFCWTIXSLGAZTA-UHFFFAOYSA-N 303.321 3.228 0 40 DGAB aggregator C[C@@H]1CCCN(CCCNC(=O)/C=C/c2cccc(F)c2)C1 46959915 AQOYMMGQTZYGLX-XVJNWHFHSA-N 304.409 3.077 0 40 DGAB CCOc1cccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c1 55767464 KMGNLHPBWZRMQE-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)Nc1ccc(Cl)cc1 54363340 ROCRCJPBWVEJEP-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1cc2c(c(SCc3ccc(F)cc3)n1)C(=O)N(C)C2=O 1405576 VWAUGEBFTRCXJU-UHFFFAOYSA-N 316.357 3.047 0 40 DGAB Cc1cccc(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1C 57717539 WNAQNDYUACFSHQ-LJQANCHMSA-N 324.424 3.315 0 40 DGAB CN(Cc1nc2ccccc2s1)C[C@@H](O)Cc1ccccc1 27406495 IPMURAOMTDBMON-HNNXBMFYSA-N 312.438 3.332 0 40 DGAB O=C(COc1cccc(Cl)c1)N1CCC(n2cccc2)CC1 58138931 PMYWUMAEECEWLF-UHFFFAOYSA-N 318.804 3.384 0 40 DGAB O=C(CNCc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 58160848 KXOLXCZNQSZOHA-SFHVURJKSA-N 312.388 3.109 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@H](c1ccc(F)cc1)C(C)C 10204420 MJKSQOVCXJQITQ-INIZCTEOSA-N 324.396 3.164 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)c1cccs1 58222845 ASZAHLVRGAFLRZ-LLVKDONJSA-N 315.316 3.230 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1)N1CCC[C@H]1c1ccncc1 44906859 NZLGFKBLDFGFGO-HNNXBMFYSA-N 322.817 3.261 0 40 DGAB CCOCCO[C@H](C)C(=O)Nc1ccc(-c2ccccc2)cn1 58380824 AZNFOMTWXBQJIG-CQSZACIVSA-N 314.385 3.129 0 40 DGAB CCN1CCCN(C(=O)Nc2ccccc2C(F)(F)F)CC1 58324763 JUYDIVCCSAEKJE-UHFFFAOYSA-N 315.339 3.265 0 40 DGAB Cc1csc(CNC(=O)[C@@H](C)SCc2ccccc2)n1 45040638 ULSJRXGRBQLUAU-GFCCVEGCSA-N 306.456 3.390 0 40 DGAB CC(C)N(C)c1ccc(NC(=O)NCC[C@H]2CCCO2)cc1F 48262481 YGTMGRXZLYUWLX-CQSZACIVSA-N 323.412 3.361 0 40 DGAB CC(C)(C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 2423224 DZXCGSNSNNIZAW-UHFFFAOYSA-N 307.781 3.237 0 40 DGAB COc1cccc(CC(=O)NCCSc2ccccc2)c1 12900843 KOXAMDHDXDTKLF-UHFFFAOYSA-N 301.411 3.146 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccsc2)cc1 48908053 XFIHBXIYXMOUCS-LBPRGKRZSA-N 316.426 3.206 0 40 DGAB CC(=O)c1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 13253200 CBJOCZDPMFYDNP-UHFFFAOYSA-N 303.358 3.253 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)NC1CCOCC1 64562710 IZSQBYMZOFXASJ-UHFFFAOYSA-N 300.811 3.362 0 40 DGAB O=C(NCCCn1cccn1)Nc1cccc(C(F)(F)F)c1 17032420 KXGCHHZRRURZQL-UHFFFAOYSA-N 312.295 3.114 0 40 DGAB Cc1nc(N2CCOCC2)c2oc3ccc(Cl)cc3c2n1 5156428 ZRMCVKBCWPIVMB-UHFFFAOYSA-N 303.749 3.174 0 40 DGAB O=S(=O)(NCc1ccccc1Cl)c1ccc(F)cc1F 13938285 VXYRADKGYNCQGK-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB CC(C)(C)NC(=O)CSc1nccn1-c1cccc(F)c1 5263480 YPISNQFXEKZCMZ-UHFFFAOYSA-N 307.394 3.018 0 40 DGAB Cc1ccc([S@@](=O)CC(=O)c2cc(C)c(O)c(C)c2)cc1 5363578 HNCXVZQRBIMQRJ-OAQYLSRUSA-N 302.395 3.308 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)NC2CCCCC2)cc1C 6500315 YPKFTZGYKGHNFV-CQSZACIVSA-N 303.402 3.298 0 40 DGAB CCCCC[C@H](C)NC(=O)CCC(=O)NCc1ccc(C)o1 4673092 GGCFNHSLICOXRV-ZDUSSCGKSA-N 308.422 3.069 0 40 DGAB Cc1nc2cc(C(=O)N(C)C3Cc4ccccc4C3)ccc2n1C 69565277 SNTXOTJJGFMOFP-UHFFFAOYSA-N 319.408 3.121 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(F)cc1 5555987 YEXCXCFJWWOWKX-INIZCTEOSA-N 323.323 3.497 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@H](C)CC(=O)OC(C)(C)C)c1 69586226 QCGMPMHBTDVMSQ-LLVKDONJSA-N 320.389 3.131 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)cn1 69628665 ZBCXDKHCNKZMEK-INIZCTEOSA-N 312.348 3.018 0 40 DGAB O=c1[nH]c(-c2ccc(Cl)cc2)nc2c1cnn2-c1ccccc1 17721626 JNLLFPNYIDTDGH-UHFFFAOYSA-N 322.755 3.429 0 40 DGAB C[C@@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1Cl 15481820 ZFDUATMFNNQLMJ-GFCCVEGCSA-N 313.788 3.199 0 40 DGAB O=C(COc1ccccc1)N1CCc2[nH]c3ccccc3c2C1 9899814 AQKNGBMTKVFWHR-UHFFFAOYSA-N 306.365 3.132 0 40 DGAB biogenic Cn1cc(-c2nc(CNc3cc(F)ccc3F)cs2)cn1 79068343 VAEUDMCVUNVPKN-UHFFFAOYSA-N 306.341 3.434 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1 9184508 PKUZRARTCUMREH-HNNXBMFYSA-N 318.804 3.500 0 40 DGAB Cc1csc(CN(C)Cc2ccc(N3CCCC3)nc2)n1 93336311 HKHKGHJZNSXDDV-UHFFFAOYSA-N 302.447 3.079 0 40 DGAB COc1cccc(C[C@@H](NC(=O)c2csnc2C)C2CC2)c1 97080475 JKLABHNLKOEOPQ-MRXNPFEDSA-N 316.426 3.211 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)NC1CCN(c2nccs2)CC1 97081022 BXYBQIQZEMVDTA-ZDUSSCGKSA-N 317.458 3.038 0 40 DGAB CCCc1nc(C)cc(N2CCC(CC3CC3)(C(=O)O)CC2)n1 71614505 BSAYQVLGFDBXMP-UHFFFAOYSA-N 317.433 3.209 0 40 DGAB COc1ccc(/C=C/C(=O)NCCOc2cccc(C)c2)cc1 21784998 OQDTYNLVJZDKQZ-DHZHZOJOSA-N 311.381 3.212 0 40 DGAB O=C(Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1)c1cscn1 96412548 IZFSIUUEORAHCF-CABCVRRESA-N 318.398 3.078 0 40 DGAB O=C(c1cc(F)c(F)cc1Cl)N1CCO[C@@H]2CCC[C@H]21 71830859 XXSROAARIVQEII-CHWSQXEVSA-N 301.720 3.012 0 40 DGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCc1cnn(C)c1 72296016 AFNVDLDBIZZZSQ-CQSZACIVSA-N 314.433 3.115 0 40 DGAB O=C(NCc1ccnc(N2CCCCC2)c1)c1ccc(Cl)o1 79256001 YZFULXPJBUSWBD-UHFFFAOYSA-N 319.792 3.248 0 40 DGAB O=C(NCc1ccco1)c1cc2c(nc3sccn32)s1 9752888 VFARJQDMDWZDMN-UHFFFAOYSA-N 303.368 3.134 0 40 DGAB CN(Cc1cccnc1)C(=O)NCCc1c(F)cccc1Cl 95415710 CXBARMBVQJCDCL-UHFFFAOYSA-N 321.783 3.258 0 40 DGAB C[C@H]1N(C(=O)Nc2cccc(OC(F)F)c2)CCOC1(C)C 95422291 XVOPWWZCQMVIFZ-SNVBAGLBSA-N 314.332 3.319 0 40 DGAB C[C@@H](C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1)n1cncn1 84838993 WBJFMJVWKNWQTN-XBOKISCZSA-N 324.428 3.324 0 40 DGAB COCCC1(C(=O)Nc2nc(-c3ccsc3)ns2)CCC1 95966090 NQUIGQXKGNMMOD-UHFFFAOYSA-N 323.443 3.412 0 40 DGAB Cc1occc1CNc1ccc(C(=O)N2CCC[C@H](C)C2)cn1 95958801 SVVURYHYXAALLP-ZDUSSCGKSA-N 313.401 3.467 0 40 DGAB CCc1ccc([C@@H](C)NCCc2ccc(S(C)(=O)=O)cc2)o1 95968553 PSHKQVVORFPVSS-CYBMUJFWSA-N 321.442 3.139 0 40 DGAB COc1ccc(CNC(=O)c2ccc3ccccc3c2O)cc1 9911181 JVBAGRRIYZNGBU-UHFFFAOYSA-N 307.349 3.484 0 40 DGAB COc1ccc(CN[C@H](C)c2cnc3cc(C)nn3c2C)cc1 89610792 UGSGXWYQBGHMOI-CYBMUJFWSA-N 310.401 3.206 0 40 DGAB COc1cccc(N[C@@H](C(=O)N2CCCC2)c2ccccc2)c1 39987664 YYYCEGZCUYABBR-GOSISDBHSA-N 310.397 3.471 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1 72331671 CCLOJRSUHVEPTC-UHFFFAOYSA-N 320.751 3.368 0 40 DGAB CCN(CC)C(=O)CCCC(=O)Nc1c(C)nn(C(C)C)c1C 78999065 BXYXNPXPKGMLAM-UHFFFAOYSA-N 322.453 3.058 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)N1CCCCCC1 35898193 HUDUFLMCJZOISQ-CLWVCHIJSA-N 305.418 3.082 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](Nc2nc3ccccc3o2)C1 79440526 VKBBFNBSDFUDDG-NSHDSACASA-N 303.362 3.249 0 40 DGAB Cc1ccc(CC(=O)N(CC(F)(F)F)[C@H](C)C(C)C)cn1 74583758 HCKXTAFWBWYWDI-GFCCVEGCSA-N 302.340 3.368 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)Cc1c(Cl)cccc1Cl 44670873 LHSAORDNHPFUND-LLVKDONJSA-N 315.244 3.136 0 40 DGAB COC(=O)c1cccc(NC(=S)NCc2cccc(C)c2)c1 225427481 UFLDBIWWLSNNTN-UHFFFAOYSA-N 314.410 3.268 0 40 DGAB N=C(N)SCc1nc(-c2ccc(Cl)c(Cl)c2)no1 89262045 PFGSRMZINUYRQH-UHFFFAOYSA-N 303.174 3.170 0 40 DGAB CS[C@@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 48239745 SKHSVAURMLCMNZ-ZJUUUORDSA-N 316.264 3.248 0 40 DGAB CCC[C@@H]1CN(C(=O)Nc2cnn(CC(C)C)c2CC)CCO1 89274906 ZCNKXHIDYYTQKM-CQSZACIVSA-N 322.453 3.134 0 40 DGAB C[C@H](O)c1onc(-c2ccc(Cl)cc2)c1C(=O)NC1CCC1 225438087 FPVOEXRNPSOAST-VIFPVBQESA-N 320.776 3.331 0 40 DGAB biogenic,in-vitro C[C@@H](NC(=O)N1CC[C@H](Cc2ccccc2)C1)c1nccs1 96439968 IZEHDCAHQVZQES-UKRRQHHQSA-N 315.442 3.478 0 40 DGAB CCCN1CC[C@@]2(CCCN(CCOc3ccccc3)C2)C1 96216425 GISDWOVRTVANHP-IBGZPJMESA-N 302.462 3.263 0 40 DGAB O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccsc1 96451664 STCVYJBQMICWDX-UHFFFAOYSA-N 320.380 3.142 0 40 DGAB Cc1ccc(-c2nc(C)c([C@H](C)N(C)S(C)(=O)=O)s2)cc1 95399856 YDJVLPVJLOLKSW-LBPRGKRZSA-N 324.471 3.379 0 40 DGAB CCc1nnc(CN[C@@H](C)c2ccccc2C(F)(F)F)n1C 96402678 GHQLLYFQKOOWPQ-JTQLQIEISA-N 312.339 3.247 0 40 DGAB C[C@H]1CN(C(=O)CCCc2ccccn2)[C@@H](c2ccccc2)CO1 96433364 RFIQVSBLRLLTQP-QFBILLFUSA-N 324.424 3.393 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(C(=O)C3[C@H]4CCC[C@@H]34)C2)c1 96459340 IGMRORMRYMIFTP-FACVHXDRSA-N 315.413 3.066 0 40 DGAB Cc1ncsc1C(=O)NC[C@@H]1SCCc2ccccc21 96454667 WEFZJFWIIFLYFS-ZDUSSCGKSA-N 304.440 3.212 0 40 DGAB c1ccc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCc2ccncc2)cc1 247938968 HVVMZCDVXZDBAZ-UFYCRDLUSA-N 324.424 3.030 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(C(=O)O)c2)c1 257316336 VFDOOSLWKPWWBF-KRWDZBQOSA-N 310.353 3.130 0 40 DGAB O=C(c1conc1C1CC1)N1CC=C(c2ccc(O)cc2)CC1 252498424 RBTCFCMQXKSAHK-UHFFFAOYSA-N 310.353 3.187 0 40 DGAB C[C@H]1C[C@@H]1C(=O)NCc1cccnc1Oc1cccc(F)c1 43050146 NLYHVGNPVAWQMT-NHYWBVRUSA-N 300.333 3.285 0 40 DGAB C[C@]1(c2nc(Cc3ccccc3OC(F)F)no2)CCCO1 390834328 WJTNBSPYABESMF-OAHLLOKOSA-N 310.300 3.287 0 40 DGAB COc1cccc(CS(=O)(=O)C[C@H](C)c2ccccc2)c1 390833980 PWYRBHFFTWPBIV-AWEZNQCLSA-N 304.411 3.414 0 40 DGAB CC(C)c1ccc([C@@H](O)Cn2cnc3ccsc3c2=O)cc1 44262560 WZOHLEPNNFMZBT-HNNXBMFYSA-N 314.410 3.315 0 40 DGAB CCN1C[C@H](C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O 58735902 CDEIJFHIAOCKDO-QGZVFWFLSA-N 322.408 3.088 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4cccn4)C3)cc2c1 69432890 BKCXHFNHJSNHTJ-OAHLLOKOSA-N 309.369 3.415 0 40 DGAB Cc1cc(CCC(=O)N[C@@H]2CCC23CCOCC3)ccc1F 585409290 NFNMMNPIASQSAO-MRXNPFEDSA-N 305.393 3.142 0 40 DGAB O[C@@H]1C2CCN(CC2)[C@H]1[C@H](c1ccccc1)c1ccc(F)cc1 5063911 YDKJBGPGEVAPRN-HSALFYBXSA-N 311.400 3.413 0 40 DGAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1cc(F)ccc1F 14232211 HZUVVTSWISATKG-UHFFFAOYSA-N 323.364 3.415 0 40 DGAB CN(C)c1cccc(C(=O)NCCCOc2ccccc2F)c1 12392013 DBUQFOVGTLFITJ-UHFFFAOYSA-N 316.376 3.091 0 40 DGAB Cc1nccn1-c1cc(N[C@@H]2CCCc3ccccc32)ncn1 1888904269 QIWYVUGDJPABJZ-MRXNPFEDSA-N 305.385 3.460 0 40 DGAB COc1ccc2[nH]c(CN3CC[C@H](c4ncc(C)[nH]4)C3)cc2c1 1848352263 YZXSKBMFWZURNR-ZDUSSCGKSA-N 310.401 3.198 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(=O)n(C)c2ccccc12 74715148 NODQYFSYZGWCRZ-CYBMUJFWSA-N 318.376 3.130 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2cccc(F)c2)[nH]c2c1C(=O)CCC2 40162012 VXLDEVUMHQGGBJ-LLVKDONJSA-N 314.360 3.472 0 40 DGAB Cc1ncsc1C(=O)NC[C@H](c1ccco1)N1CCCCC1 40533886 RDBVTSGOFFQOBF-CYBMUJFWSA-N 319.430 3.002 0 40 DGAB O=C(CCc1ccccc1)Nc1ccn(CCc2ccccn2)n1 51418163 BXGHEHJZZORPJK-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB O=C(CCn1c(=O)sc2ccccc21)NC1CCCCCC1 245874 OGPCZJUWPMJYQQ-UHFFFAOYSA-N 318.442 3.292 0 40 DGAB Cc1cc(C)c2c(n1)oc1c(=O)n(CCc3ccccc3)cnc12 32106511 CEROAELAHIMRDI-UHFFFAOYSA-N 319.364 3.397 0 40 DGAB O=S(=O)(c1ccccc1)c1nc(-c2ccccc2)[nH]c1S 284020 LTGMGFXXHVIEIH-UHFFFAOYSA-N 316.407 3.198 0 40 DGAB Cc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1C 69530227 BADFYIIACDPNEA-UHFFFAOYSA-N 320.396 3.390 0 40 DGAB CCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2C)c2ccccc21 316517 WAAQLXYWGFGFFQ-HXUWFJFHSA-N 323.392 3.131 0 40 DGAB CCOC(=O)[C@H](CC(=O)O)C1c2ccccc2-c2ccccc21 1734787 JWOAAWJDSIGVFF-MRXNPFEDSA-N 310.349 3.453 0 40 DGAB C[C@@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2 102203842 GPRRUXLFACUMBA-OSFYFWSMSA-N 311.381 3.348 0 40 DGAB NCCc1c(-c2ccccn2)[nH]c2ccc(Br)cc12 6732125 WIRIYTHTXSEUKK-UHFFFAOYSA-N 316.202 3.494 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc2ccccc12 58173491 BMZDSKVAXKBKJQ-CHWSQXEVSA-N 313.401 3.265 0 40 DGAB CC(C)CC(=O)Nc1ccc(I)cc1F 9141667 STDWWJRYMNONTF-UHFFFAOYSA-N 321.133 3.415 0 40 DGAB O=Cc1cccc(OCC(=O)Nc2ccc(F)c(Cl)c2)c1 9235986 SDURXMLNAZXTPL-UHFFFAOYSA-N 307.708 3.309 0 40 DGAB Cc1cn2c(CC(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)csc2n1 103413930 GJYBZBRJBONUST-PWNZVWSESA-N 317.458 3.188 0 40 DGAB COc1cc(OC)c2c(=O)c(OC)c(-c3ccccc3)oc2c1 898931 CBTHKWVPSIGKMI-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic,in-vivo C[C@H](NC(=O)Nc1ccc2c(c1)OCO2)[C@H]1C[C@H]2CC[C@H]1C2 104560926 HOXQYWDWZORVRA-ZJQBRPOHSA-N 302.374 3.362 0 40 DGAB COCCCNC(=O)c1cc(-c2cccnc2)nc2ccccc12 37868794 KDHWKLINGHQAHZ-UHFFFAOYSA-N 321.380 3.063 0 40 DGAB CCNC(=O)c1ccc(NC(=O)NCc2ccccc2)c(C)c1 48108703 XIBSTDGVHKMSFC-UHFFFAOYSA-N 311.385 3.066 0 40 DGAB Cc1sc2nc(COCc3ccccc3)[nH]c(=O)c2c1C 57771524 PBWJNARIDZQSII-UHFFFAOYSA-N 300.383 3.318 0 40 DGAB COc1ccc(NC(=O)[C@H](Sc2nncs2)C(C)C)cc1 12936047 XJCUGWWQRBGKIA-GFCCVEGCSA-N 323.443 3.302 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)cc(F)c2)c1 12915087 XRTDZKAKSSNOKC-UHFFFAOYSA-N 308.259 3.315 0 40 DGAB CCC(CC)NC(=O)NCc1cccc(NC(=O)C2CC2)c1 12981204 GYOQWHXVDZVAHG-UHFFFAOYSA-N 303.406 3.023 0 40 DGAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)NC[C@H]1CCCO1 8710634 BPOPHRVLUZCEHZ-TZMCWYRMSA-N 316.426 3.011 0 40 DGAB CN(Cc1cc(=O)[nH]c2ccccc12)C(=S)Nc1ccccc1 13729512 RWAXJGVLMQEFQI-UHFFFAOYSA-N 323.421 3.357 0 40 DGAB C[C@@H](C1CC1)N(C)C(=O)c1ccn(-c2ccccc2Cl)n1 64909031 JFYPWGXUAQUMPC-NSHDSACASA-N 303.793 3.396 0 40 DGAB O=C(OCCOc1ccccc1Cl)c1n[nH]c2ccccc12 6370665 WZBSORANEOLDCU-UHFFFAOYSA-N 316.744 3.452 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@@H]1CCCc2ccccc21 65543049 DQWKSOSNLXYPHB-SJKOYZFVSA-N 311.429 3.334 0 40 DGAB O=S(=O)(Cc1ccccc1)N(Cc1ccccc1F)C1CC1 70830869 YKMSDTRGKLQLNR-UHFFFAOYSA-N 319.401 3.320 0 40 DGAB Cc1c(C(=O)N2CCc3ccccc3C2)[nH]c2c1C(=O)CCC2 14202302 SVRVSEBXPWFDTB-UHFFFAOYSA-N 308.381 3.041 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CN(Cc3ccccc3)C2)C1 66339759 LTEIPQQLKQFDOW-UHFFFAOYSA-N 302.418 3.129 0 40 DGAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)NCc1cccs1 7059356 OKNQOXJKQHVNFY-JTQLQIEISA-N 317.439 3.421 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@@H]1CCSc2ccccc21 15329307 QTTGMZQKBDYHQJ-OAHLLOKOSA-N 319.451 3.343 0 40 DGAB Cc1ccn2cc(C(=O)Nc3cccc4cccnc34)nc2c1 9116090 ZJNGSTHVQWAUQF-UHFFFAOYSA-N 302.337 3.443 0 40 DGAB CCN(CC)[C@H](CNC(=O)[C@@H]1C[C@@H]1c1ccco1)CC(C)C 67612220 HQUVDDNSJNQEAF-HRCADAONSA-N 306.450 3.256 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1ccc(Cn2cccn2)o1 28576032 JFZCAJBMKQRGRC-UHFFFAOYSA-N 315.760 3.108 0 40 DGAB Cc1cc(C(=O)NCc2ccc(Oc3ccccc3)nc2)no1 69488571 YMPPHCWXSZFEJJ-UHFFFAOYSA-N 309.325 3.100 0 40 DGAB CC(C)(C)CC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 71886700 NTZXSRMYHLPXCG-LBPRGKRZSA-N 303.324 3.291 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N2CCC[C@H](CO)C2)cc1 71803478 QMMBRAPRLIJEEB-KBPBESRZSA-N 322.474 3.274 0 40 DGAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H]1c1ccc[nH]1 71818716 SQFQIJZILJUMSU-ZBFHGGJFSA-N 316.788 3.335 0 40 DGAB CCN(Cc1ccoc1)C(=O)NC[C@H](OC)c1ccccc1 71924638 SBGDAKOIIZGJJR-INIZCTEOSA-N 302.374 3.199 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)c2ccc(C)n2C)n1 72273766 FLZCOIDXYQGGIF-ZDUSSCGKSA-N 303.431 3.466 0 40 DGAB CC(=O)N1CC[C@@H](CN(C)CCc2ccc(C(C)C)cc2)C1 97162690 DTDDOPVNDLSXSC-SFHVURJKSA-N 302.462 3.153 0 40 DGAB Cc1nsc(N2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1 72302100 ZWZWVMAPQZNLFE-SNVBAGLBSA-N 324.400 3.008 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)N[C@](C)(CO)C2CC2)c1 84656161 GDUMKCXAJJOTPD-MEDUHNTESA-N 308.447 3.393 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@@H]1CCn2ccnc2C1 95431900 HBYSCSFEWILMOB-CYBMUJFWSA-N 313.401 3.222 0 40 DGAB O=C(NCCC(=O)N1CCCCCCC1)c1ccc(Cl)cc1 9957151 AEEPGZNBTZTSPS-UHFFFAOYSA-N 322.836 3.253 0 40 DGAB c1cc(CN2CCOCC2)cc(NCc2cccc3cn[nH]c23)c1 89780593 WWFMQVZGFWQQFP-UHFFFAOYSA-N 322.412 3.007 0 40 DGAB CCCOc1ccc(CN2CCC[C@H](NC(=O)OCC)C2)cc1 89960307 JAPJEMAVSQDHPV-INIZCTEOSA-N 320.433 3.186 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c2ncccc2c1 120546367 NUGIFUOKRMOGAU-GFCCVEGCSA-N 323.400 3.327 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN(C(=O)NC(C)C)C2)c(C)c1 32912967 VRAFJMNOOFOWQM-OAHLLOKOSA-N 317.433 3.072 0 40 DGAB CCN(C)c1ccc(C(=O)N(CC(F)(F)F)C2CC2)cc1 60367360 PKJVLPVEGAETNS-UHFFFAOYSA-N 300.324 3.310 0 40 DGAB O=C(NCCc1ccc(OC2CCCC2)cc1)C1CCOCC1 79334806 HRRXQARGKXYDHV-UHFFFAOYSA-N 317.429 3.093 0 40 DGAB CCc1nc([C@@H]2CCCN(c3ncnc4ccsc34)C2)no1 72279231 SUPVVTFEQDYFFS-SNVBAGLBSA-N 315.402 3.021 0 40 DGAB O=C(NC(=S)Nc1nccs1)C12CC3CC(CC(C3)C1)C2 36625128 XSYWEZNMTSPSDF-UHFFFAOYSA-N 321.471 3.173 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@@H]1c1ccccc1 72227776 WRVZLCBXJSDZFA-ZIAGYGMSSA-N 307.180 3.409 0 40 DGAB Cc1cnc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)s1 185027662 QBDBEIMPLDORHO-GFCCVEGCSA-N 303.431 3.004 0 40 DGAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1 41095320 GJPMZWITNVXPBA-BBRMVZONSA-N 311.447 3.332 0 40 DGAB COc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@]2(C)OC(C)C)cc1F 527636206 RHICQNUWCJAMMN-CXMBCZLWSA-N 324.396 3.151 0 40 DGAB CCC[C@H](C)NC(=O)c1snnc1-c1ccc(OC)cc1 225763435 CNJZTJSTANWRMG-JTQLQIEISA-N 305.403 3.132 0 40 DGAB C[C@H]1CCCCN1CCCc1nc2cc(C(=O)O)ccc2[nH]1 225294748 STTOTRGXICYGMA-LBPRGKRZSA-N 301.390 3.068 0 40 DGAB O=C(NCCn1ccnc1C1CC1)Nc1ccccc1Cl 225567833 NYUABKYFJPUZON-UHFFFAOYSA-N 304.781 3.236 0 40 DGAB O=C(c1ccoc1)N1CC[C@H](Oc2cccc3cccnc23)C1 225704953 VHEZGJYAPLCZQB-HNNXBMFYSA-N 308.337 3.121 0 40 DGAB COC(=O)c1cc(Cl)cc(NCc2nnsc2Cl)c1 89116458 JBPCVNHIYUIKDP-UHFFFAOYSA-N 318.185 3.244 0 40 DGAB C[C@H]1CC(C)(C)C[C@H]1NC1CCN(Cc2ccncc2)CC1 193125003 FAKMXCNHEZWDFT-MAUKXSAKSA-N 301.478 3.460 0 40 DGAB CCC(=O)N1CCC2(CC1)C[C@@H](N(C)C)c1ccc(C)cc12 96241750 QQZYMTISPINUMW-QGZVFWFLSA-N 300.446 3.272 0 40 DGAB O=C1CC[C@@]2(CCCN(Cc3ccoc3)CC2)N1CC1CC1 96217931 IYTFSWPVZVUGND-GOSISDBHSA-N 302.418 3.037 0 40 DGAB Fc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccoc4)C3)C2)c1 96047582 KSDHVUXZTZPOEB-MSOLQXFVSA-N 316.376 3.264 0 40 DGAB CC(=O)Nc1c(C)cc(N[C@@H](C)CCn2cccn2)cc1C 97234746 YKQAMOCLYUXMHY-AWEZNQCLSA-N 300.406 3.349 0 40 DGAB COC[C@H]1CN(Cc2cccs2)Cc2nn(CC3CC3)cc21 96060441 YUNKICKCRWIEHH-CQSZACIVSA-N 317.458 3.100 0 40 DGAB CC[C@@H](c1nc(-c2nccc3ccccc23)no1)N1CCCC1=O 585133919 ZVXRAVGCZVJATJ-AWEZNQCLSA-N 322.368 3.358 0 40 DGAB C[C@H](CC(=O)NCC(C)(C)n1ccnc1)Cc1cccc(F)c1 585127769 JCVCPVBNSRUOAG-AWEZNQCLSA-N 317.408 3.142 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@H]1c1cnccn1 257214636 CMRWGKPHYWPKIK-SFHVURJKSA-N 307.397 3.333 0 40 DGAB COc1ccc([C@H]2CC(=O)c3ccccc3N2)c(OC)c1OC 252494418 NUVPHLQOIAYMFC-CQSZACIVSA-N 313.353 3.452 0 40 DGAB CC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)CC1 252486793 NHBNGSRXBDPAAA-HVMFNXBNSA-N 304.478 3.049 0 40 DGAB Clc1ccccc1C[C@H]1COCCN(C2CCOCC2)C1 257293764 QRCMTONRVUAANO-CQSZACIVSA-N 309.837 3.010 0 40 DGAB CC1(c2ccccc2)CCN(c2ccc3ncnc(O)c3n2)CC1 585142079 OGJJVZKPFFBODJ-UHFFFAOYSA-N 320.396 3.289 0 40 DGAB NC(=O)c1ccc(Cl)cc1OCc1nc2ccccc2o1 58281476 SETNUBOIJMTODA-UHFFFAOYSA-N 302.717 3.159 0 40 DGAB CCc1cccc(OCC(=O)N2CCc3cc(OC)ccc32)c1 58715977 GCJQNARCAJVYNG-UHFFFAOYSA-N 311.381 3.226 0 40 DGAB O=C(NC[C@H](O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 75170609 NSCDOGYMINJNOZ-ZZTKBFGJSA-N 320.458 3.050 0 40 DGAB O=C1OC(c2ccco2)=N/C1=C/c1cccc(Br)c1 430237 BICKVUMHWTWFKA-DHZHZOJOSA-N 318.126 3.387 0 40 DGAB CCc1ccccc1NC(=O)CSc1nnc(CC)n1CC 13992511 BLWIBDYXXONYDB-UHFFFAOYSA-N 318.446 3.154 0 40 DGAB COc1cccc(CNC(=S)Nc2ccc(F)cc2F)c1 18141441 WVVDJTVURBUDEZ-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB O=[N+]([O-])c1cc([N+](=O)[O-])c2cccnc2c1N1CCCCC1 4645843 BAGVGGYELADHCM-UHFFFAOYSA-N 302.290 3.042 0 40 DGAB O=C(O)[C@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 35303036 YXGAQWQUSHQSAN-GFCCVEGCSA-N 306.749 3.044 0 40 DGAB Cc1cc(NCc2ccc(-c3ccoc3)nc2)n2nccc2n1 2087152671 OGEIXGVXVDBSBE-UHFFFAOYSA-N 305.341 3.305 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)s1)c1ccco1 1775967909 GCOCPDDFWADWGJ-SNVBAGLBSA-N 303.339 3.065 0 40 DGAB CC(C)C(=O)N1CCC(c2nc3ccc(F)cc3cc2N)CC1 12087989 XJJGHSOSSFRAKL-UHFFFAOYSA-N 315.392 3.318 0 40 DGAB O=C(CCc1cccs1)Nc1cccc(N2CCOC2=O)c1 40074137 GJIZBWXEJSNWTR-UHFFFAOYSA-N 316.382 3.276 0 40 DGAB O=C1NC(=O)c2ccccc2/C1=C\c1ccc(OC(F)F)cc1 40009551 RQALLBWAJLBSRM-NTEUORMPSA-N 315.275 3.099 0 40 DGAB CC1CCC(NC(=O)Nc2ccc(Cl)c(C(N)=O)c2)CC1 40527073 VOFNLOAWNFLRCG-UHFFFAOYSA-N 309.797 3.139 0 40 DGAB CCC(=O)c1ccc(O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1 16338566 APOVZFIIBABGAG-HNNXBMFYSA-N 316.357 3.372 0 40 DGAB CCN(CC)C(=O)C[C@@H](C)CC(=O)NCCC1=CCCCC1 9851338 DBTOWXACFLRCAY-HNNXBMFYSA-N 308.466 3.278 0 40 DGAB CC(C)N1C(=O)CS[C@H]1c1ccc(Br)cc1 1093382 AQHDKEWXJWMWDC-LBPRGKRZSA-N 300.221 3.432 0 40 DGAB O=C(Nc1cccnc1Cl)c1cc(-c2cccc(O)c2)on1 3908318 BQTSHFJKLFGPIO-UHFFFAOYSA-N 315.716 3.348 0 40 DGAB Cc1ccccc1C(=O)OCc1cc(=O)oc2cc(O)ccc12 2656439 NQVPXWGQEYZSHE-UHFFFAOYSA-N 310.305 3.164 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccc(O)cc1 4910149 HDBUWEPQHBNXNS-QGZVFWFLSA-N 323.352 3.331 0 40 DGAB Cc1ccc(C)n1NC(=O)C(O)(c1ccccc1)c1ccccc1 6815398 QOFJRUDVESVMHE-UHFFFAOYSA-N 320.392 3.111 0 40 DGAB O=C(CN1CCc2ccccc21)Nc1ccc(F)c(F)c1F 2644465 BVVOBUABLPBBLC-UHFFFAOYSA-N 306.287 3.105 0 40 DGAB CN(Cc1ccccc1)c1ncnc2c1cnn2-c1ccccc1 426420 ZJWAZXMWAUBVNH-UHFFFAOYSA-N 315.380 3.452 0 40 DGAB COc1cccc(OC)c1C(=O)NCCCc1cccc(C)c1 10110638 RMTCRJXZTUGQOF-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)cc1C 12062865 ZWUMHPDMSZMNEC-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB Cc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 540665 LMUDSGXAHULXPZ-UHFFFAOYSA-N 307.353 3.117 0 40 DGAB NC(=O)[C@H](Sc1ncnc2ccccc12)c1ccc(F)cc1 22243431 XSVMBCZWRROMLX-CQSZACIVSA-N 313.357 3.088 0 40 DGAB CCOC(=O)c1c(NC(=O)[C@H]2CCCO2)sc2ccccc12 2764652 IMNJQQCWZSPCIT-LLVKDONJSA-N 319.382 3.196 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cc(F)ccc1F 100189397 RAHLAZRGCVNELR-CXAGYDPISA-N 301.340 3.325 0 40 DGAB CCC(C)(C)NC(=O)c1nnn(-c2cccc(Cl)c2)c1C 54869241 CMECQIOAIBOICD-UHFFFAOYSA-N 306.797 3.148 0 40 DGAB CCN(c1ccc(S(=O)(=O)CC)c(N)c1)C1CCCCC1 42783783 AHFPRSWBMQYBOE-UHFFFAOYSA-N 310.463 3.221 0 40 DGAB C[C@H](CCc1ccco1)NC(=O)c1cn2cc(Cl)ccc2n1 12323900 JYBKVBHXIOOHBO-LLVKDONJSA-N 317.776 3.332 0 40 DGAB COc1ccc(OC)c(C(=O)NCc2ccc(C)c(F)c2)c1 24747325 RBAYFGOLDGBMDG-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB CC(C)[C@H]1CN(Cc2cc3ccccc3[nH]c2=O)CCS1 76064621 LNOXHCVNLMNULY-MRXNPFEDSA-N 302.443 3.102 0 40 DGAB CN(Cc1nc2ccccc2s1)Cc1nnsc1Cl 25448412 GVAIIMRQICAXHX-UHFFFAOYSA-N 310.835 3.433 0 40 DGAB C[C@@H](c1ccc2ccccc2c1)N1CCC(N2CCNC2=O)CC1 56285213 KSOHOZXZAAJXBJ-HNNXBMFYSA-N 323.440 3.390 0 40 DGAB CCCC[C@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(C)=O 3173781 SCCFPAMTAIFDLY-HOTGVXAUSA-N 314.385 3.257 0 40 DGAB C[C@H]1CCCCN1C(=O)NCCCn1cnc2ccccc21 43858133 CJAGYAQNQXOWNF-AWEZNQCLSA-N 300.406 3.010 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C=C(C1CC1)C1CC1 77583529 YJUSIOXTKWOHCR-XIRDDKMYSA-N 317.429 3.066 0 40 DGAB C[C@@H](Oc1ccc2oc(-c3ccccc3)cc(=O)c2c1)C(=O)O 1977946 GJJAXRPKBPOQTL-LLVKDONJSA-N 310.305 3.312 0 40 DGAB Cc1nnc(SCC(=O)N(c2ccccc2)C(C)C)s1 47822807 JOXODXYJMSLANF-UHFFFAOYSA-N 307.444 3.380 0 40 DGAB O=C(COC(=O)c1ccccc1F)Nc1cccc(Cl)c1 1961865 VPPMFTHWAQEMQF-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB COc1ccc(NC(=O)C2CCOCC2)cc1OC1CCCC1 24930288 FLTJJFBHLOISQK-UHFFFAOYSA-N 319.401 3.382 0 40 DGAB CCO/C=C1\C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 3220817 LJYCJDJVXUPFFP-LGMDPLHJSA-N 307.349 3.247 0 40 DGAB Cc1cc2c(c(=O)o1)C(c1ccccc1)c1c(cc(C)oc1=O)O2 16756443 QOLHEEHDUBKKPR-UHFFFAOYSA-N 322.316 3.496 0 40 DGAB Cc1cccc2[nH]c3c(=O)n(Cc4ccc(F)cc4)cnc3c12 2443733 PJBAHQOTWKJKNC-UHFFFAOYSA-N 307.328 3.374 0 40 DGAB COc1ccc(-c2cc(CSc3nncs3)on2)cc1 11393699 ZSXKDGBTUDGZFO-UHFFFAOYSA-N 305.384 3.494 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1cnn(-c2ccccc2)c1 11558424 CGADWRJNCUQWPV-VAWYXSNFSA-N 303.365 3.202 0 40 DGAB COc1cnc(C(=O)Nc2ccc(C(F)(F)F)cc2)cc1O 49548566 PGCHMZFLXZUIKR-UHFFFAOYSA-N 312.247 3.067 0 40 DGAB COc1ccccc1CNC(=O)c1ccccc1OC(F)F 6288690 VGOQWXGAYHDKJQ-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB O=C(CN1CCC[C@H]1c1ccccc1)N1CCc2ccccc21 14076737 ACEQVASETXRUOI-SFHVURJKSA-N 306.409 3.413 0 40 DGAB C[C@@H](NC(=O)CCC(=O)NCc1cccs1)c1ccccc1 4599393 LSLVTDZQYPATFG-CYBMUJFWSA-N 316.426 3.022 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccc(F)c1 5478203 XZRPZNNYZCGGON-CFGKVWFZSA-N 322.383 3.463 0 40 DGAB C[C@H]1Oc2ccccc2C(=O)N(Cc2ccc(Cl)cc2)C1=O 6755288 HWGVUIFYZALFOP-LLVKDONJSA-N 315.756 3.290 0 40 DGAB COc1cc2c(cc1OC)[C@@H](C)N(C(=O)c1ccc(C)o1)CC2 6758073 HHMGQZVIKKLIKD-GFCCVEGCSA-N 315.369 3.365 0 40 DGAB biogenic CCCc1cc(=O)[nH]c(SCc2cc(-c3ccco3)on2)n1 8750647 KWPKIVRZFGTOBG-UHFFFAOYSA-N 317.370 3.263 0 40 DGAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1 5874816 QNFOLIQIKMDWMT-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB O=C(Nc1cccc2ccccc12)N1CC[C@@]2(CCCNC2)C1 67908876 NDDBUQGWJFZZMY-LJQANCHMSA-N 309.413 3.447 0 40 DGAB Cc1cccc2c(=O)[nH]c(CSc3nc4ccccc4[nH]3)nc12 7883634 HWWDTXBLUQAALV-UHFFFAOYSA-N 322.393 3.400 0 40 DGAB Cn1cc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 16299449 UBTHSZGBJHWRJZ-LBPRGKRZSA-N 307.806 3.040 0 40 DGAB CC(=O)N1CC[C@H](NC(=O)N(c2ccccc2)c2ccccc2)C1 96007751 DAHGENCJEJXAHP-INIZCTEOSA-N 323.396 3.155 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCc2ccc(Cl)cc2)c1 9458805 KFAVMVUYOCTGHI-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB C/C(=C\C(=O)NC1=NCCS1)c1ccc(C(F)(F)F)cc1 96314792 QOOXPDQWAQRUOO-CMDGGOBGSA-N 314.332 3.328 0 40 DGAB O=C(NC[C@@H]1CCOC1)[C@H]1C[C@@H]1c1cccc(Cl)c1Cl 71894083 LAWNLHIZSFSDGV-WCQGTBRESA-N 314.212 3.250 0 40 DGAB Cc1ncsc1CNC(=O)NCc1csc(C(C)(C)C)n1 71803964 ZLCPCADTJBNGEA-UHFFFAOYSA-N 324.475 3.205 0 40 DGAB O=C(O)C[C@H](NC(=O)c1coc2ccccc12)c1cccs1 97017568 YTSQCHMLDASVOH-LBPRGKRZSA-N 315.350 3.440 0 40 DGAB c1ccc2oc(-c3n[nH]cc3CNCCCn3cccn3)cc2c1 97159848 GPXDKWTVTQSBTQ-UHFFFAOYSA-N 321.384 3.199 0 40 DGAB Cc1noc(C(F)(F)F)c1C(=O)NCCc1ccccc1F 72306897 OTYIBAOZZJORAY-UHFFFAOYSA-N 316.254 3.113 0 40 DGAB CCc1ccc(O)c(NC(=O)c2ncoc2[C@@H]2CCCO2)c1 72307570 PAVURMNMTMIFMS-ZDUSSCGKSA-N 302.330 3.046 0 40 DGAB O=C(COc1ccccc1)Nc1ccc2nc(C3CC3)[nH]c2c1 79480006 FSDRQEFVSOPPTL-UHFFFAOYSA-N 307.353 3.458 0 40 DGAB Cc1noc(C)c1CNC(=O)c1cccn1Cc1ccccc1 95955343 PUJRGRTVKLZHLQ-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB COc1ccc(-c2nc(CN(C)[C@@H](CO)C(C)(C)C)co2)cc1 89621521 LVHVTCSFQSGOPF-INIZCTEOSA-N 318.417 3.189 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccn(COc2ccc(F)cc2)n1 27972346 MTMXCQOWDCSOMC-ZDUSSCGKSA-N 317.364 3.073 0 40 DGAB O=C(NCCn1ccnc1)N(C1CC1)[C@@H]1CCCc2ccccc21 89858278 WMBRBCTZYGQABG-GOSISDBHSA-N 324.428 3.135 0 40 DGAB COc1ccc(NC(=O)c2cccc(Br)c2)cc1N 20343283 SFGWPKFMEDNQTQ-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1nnc(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)o1 211532513 GERCBPSGGFZEIO-SDQBBNPISA-N 301.327 3.077 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(c2ccccc2)=NO1)c1ccc(F)cc1 33155292 UXHOXAXFOPXXBV-SJCJKPOMSA-N 312.344 3.196 0 40 DGAB S=C1N[C@H](c2ccccn2)[C@H](c2ccc[nH]2)N1C1CCCC1 225006134 CEYGYERERDSESJ-CVEARBPZSA-N 312.442 3.325 0 40 DGAB C[C@@H](COc1ccccc1)NC(=O)Cc1cccc(Cl)c1 223009703 HXYMQWFQTGNDET-ZDUSSCGKSA-N 303.789 3.466 0 40 DGAB CC[C@H](C(=O)O)[S@@](=O)C(c1ccccc1)c1ccccc1 526892631 FDZGMDATCSKXHT-QVKFZJNVSA-N 302.395 3.388 0 40 DGAB Cc1cc(C)nc(NC(=S)NCCCc2ccccc2)n1 225967185 YSXRNPXPKYEXCL-UHFFFAOYSA-N 300.431 3.013 0 40 DGAB C[C@@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1 195577367 CDOYIJXKGUPJDH-OAHLLOKOSA-N 307.397 3.215 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2C)c(C)c1C 225776666 NITROOWRIOVTAQ-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)[nH]1 222816081 MGKPFBPHZMVSNC-HZPDHXFCSA-N 314.458 3.407 0 40 DGAB COc1ccc(CC(=O)NCCCOC2CCCCC2)cc1C 225132652 TUMIOTBYIPNMAG-UHFFFAOYSA-N 319.445 3.402 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1 96475455 XVCBTHMIGDTYRP-NXEZZACHSA-N 301.358 3.027 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)N(C)Cc1nc(C)cs1 96449570 CAOGMWUTTGMPBI-ZDUSSCGKSA-N 322.405 3.407 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cnccc1OC 96450300 NXCOGWNYYIEPOX-CYBMUJFWSA-N 304.321 3.025 0 40 DGAB CCc1ccsc1CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 97378466 ZCXGTFJWRRBMDT-UONOGXRCSA-N 308.447 3.067 0 40 DGAB C[C@H](NC(=O)[C@H](C)Cn1cc(Cl)cn1)[C@@H]1C[C@H]2CC[C@H]1C2 248007017 PRGYPYDKCRXTJU-MCZMQQNQSA-N 309.841 3.114 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1c(C)noc1C 257222614 DUABQZBQXSGNIB-HNNXBMFYSA-N 316.405 3.009 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2cccc3[nH]ccc23)n1 257294107 QSMCMTHDQQBHFG-KRWDZBQOSA-N 307.401 3.337 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)c2sccc2C)nc(C)n1 257323328 WJRYKIOEBGEJFM-ZDUSSCGKSA-N 316.430 3.174 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3ccncn3)coc2c1 257264746 LVWRMLZYJKRHMK-QGZVFWFLSA-N 321.380 3.437 0 40 DGAB Cc1cc(=O)c(CO)nn1CC1CCC(c2ccccc2)CC1 279828821 DYKMFWGPEVMRPK-UHFFFAOYSA-N 312.413 3.018 0 40 DGAB C=CC(=O)N1CCC[C@H]1c1csc(Nc2ccc(C)cn2)n1 585292656 PZUULPGRNCYYNV-ZDUSSCGKSA-N 314.414 3.440 0 40 DGAB CCC(CC)CNC(=O)N(C)Cc1ccc2c(c1)OCCO2 78518695 KGMVJKPLEAYKCZ-UHFFFAOYSA-N 306.406 3.035 0 40 DGAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)[C@H]1CCOC1 12156728 LNZLQZOUYWWWPB-HOCLYGCPSA-N 315.413 3.366 0 40 DGAB Fc1ccccc1CN1CC[C@H](c2nc(-c3cccnc3)no2)C1 19348832 VRZXYZGKJRQKQT-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB O=C(Cn1cnc2ccccc21)N1CC[C@H](c2ccccc2)C1 19656889 OGKOXYXGBCUCLP-INIZCTEOSA-N 305.381 3.052 0 40 DGAB COc1ccc(NC(=O)C2CCCC2)cc1N1CCCCC1=O 5441896 CEXSSWJVPIGFQB-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(F)c1 7402525 JWKVOGBEHUKCHA-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2cc(C3CCC3)ncn2)C1 1889096203 DVULSNKZHYQEOA-HNNXBMFYSA-N 310.401 3.105 0 40 DGAB O=C(Nc1cccc(-c2ccc3nncn3n2)c1)C1CCCCC1 4377101 HVJOCLMIFGQCII-UHFFFAOYSA-N 321.384 3.310 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)[C@@H]1CC=CCC1 1775966285 WKQVUKDOZVYYKZ-OLZOCXBDSA-N 301.342 3.046 0 40 DGAB Cc1nsc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298183984 XFLZNNVDONILAQ-LLVKDONJSA-N 324.837 3.190 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H](O)c2ccc(C)cc2)cc1 40095516 IRZPZVFTJDHGQD-QGZVFWFLSA-N 314.385 3.249 0 40 DGAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 100538845 RYUWZDKWBSDILW-CPUCHLNUSA-N 318.848 3.425 0 40 DGAB CCC(CC)CN(CC)C(=O)c1cnc2c(c1)c(C)nn2C 40523683 JGKMOXVXTNCFPP-UHFFFAOYSA-N 302.422 3.175 0 40 DGAB COc1c(Cl)cccc1-c1[nH]c(C=O)nc1Br 1857794699 HPEBOGHXKUVABJ-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB CC[C@@H]1CCc2c(sc3ncnc(N4CCOCC4)c23)C1 2552554 MSZAPHJCGPPFDW-LLVKDONJSA-N 303.431 3.043 0 40 DGAB COc1ccc(OCC(=O)Nc2cccc(SC)c2)cc1 363453 QUWZPRJTALYSPJ-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(C)o2)cc1 32552265 MGTAAOBHLYAMKL-LBPRGKRZSA-N 309.387 3.026 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)cc1 317572 JJLDYVZWOAOWPK-QGZVFWFLSA-N 314.473 3.466 0 40 DGAB CC(C)N(C(=O)CN1C(=O)[C@@H](C)Sc2ccccc21)C(C)C 1337782 VABMTMMOQWXKOZ-CYBMUJFWSA-N 320.458 3.159 0 40 DGAB O=C([C@@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)Cc1ccco1 102188197 GNEMWIXQHFZTRQ-QILLFSRXSA-N 308.381 3.416 0 40 DGAB COc1cccc(CNc2ncnc3sccc23)c1OC 52471818 LKUBBMFHZBAYKZ-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB CCOc1ccc(C(=O)CSc2nnc3ccccn23)cc1 2622605 HMNRFRMHGXFXBZ-UHFFFAOYSA-N 313.382 3.103 0 40 DGAB Cc1ccc(C[C@@H](CCNC(=O)OC(C)(C)C)C(=O)O)cc1 52507707 MIESPZMBLDUNIP-CQSZACIVSA-N 307.390 3.153 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCN(c2ccc(F)cc2)CC1 7149950 SUAFABNMBGBCKL-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB COc1ccc(C(=O)Sc2nc3ccccc3n2C)c(O)c1 7343478 ZYGNAMGALICWLW-UHFFFAOYSA-N 314.366 3.220 0 40 DGAB COc1ccc(NC(=O)C[C@@H]2C=CCC2)cc1N1CCCC1=O 32914673 RTBYWRAIARARGK-CYBMUJFWSA-N 314.385 3.117 0 40 DGAB O=C(NC(=S)N1CCc2ccccc21)c1ccccc1Cl 503310 UJADFMZHGNZIGS-UHFFFAOYSA-N 316.813 3.417 0 40 DGAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 37301141 VCQYKEINVLRNKU-LLVKDONJSA-N 304.777 3.357 0 40 DGAB O=C(N1CCN(c2ccccc2F)CC1)C1(c2ccccc2)CC1 23239271 GVRUARMOZQCDNC-UHFFFAOYSA-N 324.399 3.206 0 40 DGAB Cc1cc2nc(COc3cc(C)c(Cl)c(C)c3)cc(=O)n2o1 20332337 NIVBKVFQKWVINJ-UHFFFAOYSA-N 318.760 3.445 0 40 DGAB Cc1ccc(S(=O)(=O)c2snnc2-c2ccccc2)cc1 3118868 ADGFJOUMVXAXSM-UHFFFAOYSA-N 316.407 3.346 0 40 DGAB COc1ccc([C@H](NC(=O)Nc2cc(C)nn2C)C2CC2)cc1 43433103 KVPQIECAUNBTKK-MRXNPFEDSA-N 314.389 3.010 0 40 DGAB COC1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 56294571 DNCBCROYZOOWER-UHFFFAOYSA-N 306.793 3.083 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)NCCc1cn2ccccc2n1 26288335 JVDISTGNVBBKTQ-HNNXBMFYSA-N 322.412 3.246 0 40 DGAB Cc1ccccc1[C@@H]1[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C 35534057 QWSDKECXUGMZES-UONOGXRCSA-N 305.374 3.378 0 40 DGAB CC(C)c1nc(COc2nc(-c3ccccc3Cl)no2)no1 58282595 UWNWQWQUPFDBCT-UHFFFAOYSA-N 320.736 3.475 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)C[C@@H](C)O1 27974692 TZNCEJBBJYGMSQ-RBSFLKMASA-N 313.397 3.243 0 40 DGAB COc1ccc(Cl)cc1NCc1nc2n(n1)CCCCC2 28527880 BPFNAXKKKOXASU-UHFFFAOYSA-N 306.797 3.279 0 40 DGAB CC(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 58429245 UDTJBIVUPDEAIP-AWEZNQCLSA-N 321.440 3.306 0 40 DGAB Cc1csc2nc(CN3CC[C@@H]4CCCC[C@@H]4C3)cc(=O)n12 45314701 KTDWIPQUQCBFTJ-UONOGXRCSA-N 317.458 3.077 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1nc2ccccc2s1 36634320 WXJGBBFFVFPWDA-UHFFFAOYSA-N 301.371 3.231 0 40 DGAB Cc1cc(NC(=O)NCc2ccccc2OC(F)(F)F)no1 48234890 UKODLXZVHOVWHA-UHFFFAOYSA-N 315.251 3.203 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1F)c1cccs1 11373374 VABWQUVAIPPJAG-ZDUSSCGKSA-N 324.352 3.232 0 40 DGAB COc1ccc(C)cc1Cn1nnc(-c2cccc(Cl)c2)n1 12763925 BQMLMAMSUWLFMC-UHFFFAOYSA-N 314.776 3.359 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)Nc2cccnc2Cl)c1 3401563 LAKVCHWDLIEIAZ-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB O=C(COC(=O)c1ccc(O)cc1)Nc1cccc2ccccc12 3507955 VLOYNJXTIFVJAH-UHFFFAOYSA-N 321.332 3.341 0 40 DGAB CC(C)COC[C@H](NC(=O)Nc1ccccn1)c1ccco1 65543073 SUNUNKPONFSZNG-ZDUSSCGKSA-N 303.362 3.210 0 40 DGAB Cc1ccc(CSc2nnc(-c3cc(C)n(C)n3)o2)cc1 28579026 IMEIUTUXYKBKIO-UHFFFAOYSA-N 300.387 3.379 0 40 DGAB O=C1NC(=O)/C(=C\c2cc(Cc3ccccc3)ccc2O)S1 5774003 JXJDZXQWUOVOEO-XNTDXEJSSA-N 311.362 3.307 0 40 DGAB COCCNCc1ccc(-c2ccc(Br)cc2)o1 7524944 CPARUPBWXSRPMK-UHFFFAOYSA-N 310.191 3.445 0 40 DGAB C[C@@H](NC(=O)c1ccc(N(C)C)cc1)c1nc2ccccc2[nH]1 9367111 TWLPQPVDVMDJAB-GFCCVEGCSA-N 308.385 3.120 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 8061688 PLNHZKVJDKRKOQ-QGZVFWFLSA-N 323.392 3.135 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC[C@H](C(F)(F)F)N2)CC1 91303041 VCGIXNJTEPLEJZ-SNVBAGLBSA-N 308.344 3.070 0 40 DGAB in-vitro C[C@@H]1C[C@@H](C)[C@@H]2N(C1)c1ccccc1CC21C(=O)CCCC1=O 16957112 WIGLJHDXYHQDGW-LPMFXHHGSA-N 311.425 3.402 0 40 DGAB C[C@H](NCc1cnc(-c2ccccc2)nc1)[C@@H](C)n1cccn1 69434591 NPJUIGHPMBVODV-LSDHHAIUSA-N 307.401 3.079 0 40 DGAB COCCCN(Cc1ccncc1)C(=O)c1ccc2cc[nH]c2c1 71882982 KJKSKGKMKDHXSF-UHFFFAOYSA-N 323.396 3.242 0 40 DGAB C[C@H](C(=O)O)[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 97018271 QFWSUFHDXSPXNA-BLLLJJGKSA-N 317.410 3.259 0 40 DGAB CC(C)N(Cc1cccnc1)Cc1nc(-c2cccs2)n[nH]1 97083909 JAPLRWPSDVTNIA-UHFFFAOYSA-N 313.430 3.339 0 40 DGAB CCC[C@H]1C[C@H](C(=O)N(CC2CC2)c2cccnc2)CCO1 97054929 KKODXISEDICYNH-WBVHZDCISA-N 302.418 3.420 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)c3ccncc3)C2)sc1C 72297409 QFNXVLIVCOLGLC-AWEZNQCLSA-N 301.415 3.175 0 40 DGAB CC(C)(C)Oc1ccccc1NC(=O)NC[C@@H](O)c1ccco1 72286366 DFVBKUFFMRPOMY-CYBMUJFWSA-N 318.373 3.312 0 40 DGAB FC(F)(F)c1cc([C@H]2CCCN(Cc3ccncc3)C2)n[nH]1 78901076 FEVXRKSOTJLEHX-LBPRGKRZSA-N 310.323 3.203 0 40 DGAB CCn1nc(C)c(NC(=O)NC[C@H](C)c2nc(C)cs2)c1C 97113584 FGPLMYAXLWUWEY-VIFPVBQESA-N 321.450 3.210 0 40 DGAB Cc1cc(C(=O)Nc2ccc(Cl)cc2OC(F)F)on1 97139767 CVKCHNBYHJYAOU-UHFFFAOYSA-N 302.664 3.490 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCc2cccc(C)c2)c1 72329252 TWLOGTSAJXFFIY-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB COC(=O)CCN(C(=O)C/C=C/c1ccc(F)cc1)C(C)C 72310183 DHFVEZIXEDDOOT-SNAWJCMRSA-N 307.365 3.029 0 40 DGAB CCNC(=O)c1ccc(NCc2ccccc2OC(F)F)nc1 95395876 OSCGHHQVULEPKA-UHFFFAOYSA-N 321.327 3.045 0 40 DGAB O=C(CCc1nc2ncccc2[nH]1)Nc1cccc2cccnc12 79491773 YKNGRHRYKKPBNS-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB CCCn1c(CNC[C@@H]2CCCn3ccnc32)nc2ccccc21 84760553 AIBYDHYJELNTMB-HNNXBMFYSA-N 323.444 3.310 0 40 DGAB COCCNC(=O)C[C@@H](Cn1cccc1)c1ccc(Cl)cc1 95475875 RFNUWSNRQLCGCQ-HNNXBMFYSA-N 320.820 3.078 0 40 DGAB Cc1ocnc1CNC(=O)c1ccc(CCC(F)(F)F)cc1 95450917 WYUWUZWXKWZUAZ-UHFFFAOYSA-N 312.291 3.408 0 40 DGAB Cc1noc(C)c1CCCN[C@H](C)c1ccc2c(c1)OCO2 95969134 AVKYFGHMDOIHLE-LLVKDONJSA-N 302.374 3.304 0 40 DGAB COCCn1cc(NCc2csc(-c3cccs3)n2)cn1 89420286 VSRBFJDXOURIJK-UHFFFAOYSA-N 320.443 3.327 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1ccccc1)N(C(C)=O)CC2 3051956 MQLOXQFPMXGUSL-IBGZPJMESA-N 311.381 3.198 0 40 DGAB biogenic COc1ccc(S[C@@H](C)C(=O)N2CCCCC2)cc1OC 30856284 IYMSAWMZUHZTDZ-LBPRGKRZSA-N 309.431 3.197 0 40 DGAB O=C(Cc1cnc(-n2cccc2)s1)Nc1ccc(F)c(F)c1 32104771 UOJIHGZBPGAOAF-UHFFFAOYSA-N 319.336 3.393 0 40 DGAB C[C@H]1CN2CCC[C@@H]2CN1Cc1cc(Br)cs1 72324484 LNGDNWLXNOTMMA-CMPLNLGQSA-N 315.280 3.179 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)[C@@H]1CC(=O)N(c2ccccc2)C1 72401015 GWHWZOSFCMFBJC-CYBMUJFWSA-N 319.364 3.160 0 40 DGAB O=C(CCC1CCCCC1)NCc1nccc(N2CCCC2)n1 224148825 OHEGDNIDXCASKK-UHFFFAOYSA-N 316.449 3.054 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc(C)cc1 224093657 XQVFVMFRSHFJEC-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1F 45715805 JQFARIFLDKJDHN-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB CCOc1ccc(C(=O)NCCN(C)c2ccccc2)cc1C 223796825 KPYYVPCKSLJYMW-UHFFFAOYSA-N 312.413 3.260 0 40 DGAB O=C(C[C@@H]1CCCN1C(=O)c1ccncc1F)c1ccccc1 85482826 IJEXKVSNEJYCEN-AWEZNQCLSA-N 312.344 3.098 0 40 DGAB O=C(c1ccccc1)N1CC[C@H]2COC(=O)N2c2ccccc2C1 225481402 BPDIYSOAZDWEIK-INIZCTEOSA-N 322.364 3.058 0 40 DGAB biogenic,in-vitro C[C@H]1CC(=O)c2cnn(-c3ccc(Br)cc3)c2C1 199733271 OOBRBPWCSYFCKE-SECBINFHSA-N 305.175 3.400 0 40 DGAB CC(C)c1nc2nccc(-c3ccc4c(c3)OCCCO4)n2n1 95477673 SVVYZQOKQHVVAT-UHFFFAOYSA-N 310.357 3.076 0 40 DGAB COc1ccccc1C(=O)NCCc1nc2c(C)cccc2o1 96433332 NNWRIOZATORDMV-UHFFFAOYSA-N 310.353 3.117 0 40 DGAB Cc1csc(COC(=O)c2ncccc2C(F)(F)F)n1 92439656 NKLXEOWWWQPWFA-UHFFFAOYSA-N 302.277 3.222 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 96450625 VULODGWEZDNSRM-JKSUJKDBSA-N 306.475 3.152 0 40 DGAB CCc1ccc(CN2CCc3nc(NC(C)C)nc(C)c3C2)o1 96253902 WQXOHSDTIXNUJG-UHFFFAOYSA-N 314.433 3.319 0 40 DGAB Cc1cccc2[nH]c(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)cc12 257286225 PKUBUVFIXMYOQW-MJGOQNOKSA-N 311.429 3.223 0 40 DGAB CC(C)n1ncc2c1[C@H](NCc1cccnc1N(C)C)CCC2 585083583 IXWWGHOWECZORV-MRXNPFEDSA-N 313.449 3.092 0 40 DGAB COc1ccc(C(=O)Nc2c(N)cccc2Cl)cc1OC 50352461 SPAYOYRYEYBFIM-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(CCn1ccnc1)Nc1ccc2c(c1)Cc1ccccc1-2 58191269 QITBFQQZWIDHLJ-UHFFFAOYSA-N 303.365 3.483 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](OC(F)(F)C(F)(F)F)C1 91252497 MNHNUOHQQIJEMD-ZETCQYMHSA-N 305.243 3.168 0 40 DGAB Cc1nsc(N2CCC[C@H](c3nc4ccccc4o3)C2)n1 301498627 CNXBDBUJZONXDJ-NSHDSACASA-N 300.387 3.372 0 40 DGAB CC[C@@H](C)[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O 84721388 FIZHMUHFFHKYNE-HZGVNTEJSA-N 309.719 3.066 0 40 DGAB CC(C)(C)SCCN1CCN(CC(F)(F)C(F)F)CC1 225747918 LDDRSCBJLAFYFB-UHFFFAOYSA-N 316.408 3.036 0 40 DGAB NC(=O)c1cc(C(F)(F)F)cc(Br)c1Cl 575678868 IYPOSVNIZSPJQJ-UHFFFAOYSA-N 302.477 3.220 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)[C@H](C)N(CC)CC)cc1 5973671 ATPLKGMFZLAOQD-AWEZNQCLSA-N 320.433 3.312 0 40 DGAB O=C(NCc1cc(C2CC2)[nH]n1)c1cc(C2CCCCC2)no1 12143759 BUMGCTXFRIWBGI-UHFFFAOYSA-N 314.389 3.253 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCCCc1ccccc1 13669181 AXJOVOJLHPVSGJ-UHFFFAOYSA-N 323.845 3.392 0 40 DGAB CCCC(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 14831654 JLZVZQVDMRIJSM-UHFFFAOYSA-N 308.337 3.226 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccccc2Cl)cc1 159247374 ODBJTHGINPVVRH-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB COc1ccc([C@H](C)[C@H](C)NC(=O)CCc2ccncc2)cc1 584907244 UVPCSBQWOWQKMC-CABCVRRESA-N 312.413 3.331 0 40 DGAB COc1cccc(NC(=O)/C=C/c2cc(OC)ccc2OC)c1 2726188 QCPXVCGGNPVPNU-JXMROGBWSA-N 313.353 3.364 0 40 DGAB Clc1cnccc1OCC1CCN(CC2CCOCC2)CC1 1848728657 KNLYYBOUTGUFIK-UHFFFAOYSA-N 324.852 3.252 0 40 DGAB C[C@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 28794027 IGUMCSBMGHAPFJ-CQSZACIVSA-N 307.397 3.415 0 40 DGAB Cc1cc(CC(=O)N2CC[C@H](c3ccc(F)cc3)C2)ccc1O 245174493 YPKKPVXKACWTHM-INIZCTEOSA-N 313.372 3.398 0 40 DGAB CCCc1nnc(SCCCOc2ccccc2C=O)n1C 15422818 MYZFHDBKSTUUAE-UHFFFAOYSA-N 319.430 3.141 0 40 DGAB CCCc1c(C)c2ccc(O[C@@H](C)C(=O)OCC)cc2oc1=O 82738 OQNMLZQIJXFLOW-LBPRGKRZSA-N 318.369 3.384 0 40 DGAB biogenic O=C(Nc1ccc2c(c1)CCC2)[C@@H]1CCCN1C(=O)c1ccco1 40461216 BSAHGXGKOLFUOW-INIZCTEOSA-N 324.380 3.012 0 40 DGAB CCOc1cc(C=O)ccc1OC(=O)Cc1ccc(F)cc1 31975852 XYBDJXXWSJGWRA-UHFFFAOYSA-N 302.301 3.185 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CSC1=NCCS1 417577 YPQDEZHUVUVOOL-UHFFFAOYSA-N 300.836 3.423 0 40 DGAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c(C)c1 316494 UZISMCOGTBERDU-LJQANCHMSA-N 309.365 3.025 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)NCc3cccs3)cc2)n1 2658441 JSNOZSKMDUMRKZ-UHFFFAOYSA-N 311.410 3.481 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 2736912 CCQNPBQYYKQQBK-UGUYLWEFSA-N 313.397 3.273 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1ccc(C(C)=O)cc1 3458321 SVQLDBRGOVZCJA-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ncnc3sccc23)cc1C 2641924 VZPYCWJHFSMFHB-UHFFFAOYSA-N 319.411 3.109 0 40 DGAB O=C(NCCNc1nc2ccccc2s1)c1cccs1 32828039 CAISYRFQPHTGTB-UHFFFAOYSA-N 303.412 3.200 0 40 DGAB CCc1nc([C@H]2CCCN2Cc2nc(C)c3ccccc3n2)no1 75573231 SFACMINXPQXUER-OAHLLOKOSA-N 323.400 3.221 0 40 DGAB Cc1c(C(=O)Nc2cccc(Cl)c2)sc2nc[nH]c(=O)c12 8576675 BRPHWOOMMSIEAZ-UHFFFAOYSA-N 319.773 3.199 0 40 DGAB CCC(=O)NC(=S)Nc1ccc(N2CCCC[C@H]2C)cc1 9064325 UQEUPKKNYODDLS-GFCCVEGCSA-N 305.447 3.288 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)CCOc2ccccc2)c1 9737680 KSTLBKJBJWDGGA-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 22344851 SIUJNOCWFPLAOQ-GBPLSBDBSA-N 323.396 3.191 0 40 DGAB C[C@@]1(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1(Cl)Cl 23897028 DNQIGBLBMUXVRH-JSGCOSHPSA-N 314.212 3.170 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccccc1F 24690783 BSUMHMBIRWZQDD-GFCCVEGCSA-N 316.332 3.129 0 40 DGAB CC[C@@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 24841047 LOGAPLUMOWJQRH-GOSISDBHSA-N 323.440 3.492 0 40 DGAB O=C(NCCn1ccnc1)N[C@@H](c1cccs1)C1CCCC1 43311047 BUGDYOZPSJAUKG-OAHLLOKOSA-N 318.446 3.175 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N(C)[C@H](C)c3ccccc3)ccc21 25615593 RGDQAIVULHRBDT-CQSZACIVSA-N 322.408 3.429 0 40 DGAB Cc1cnc(NC(=O)CCn2ncc3c(Cl)cccc32)s1 57279967 ROCPLCGHRITQJM-UHFFFAOYSA-N 320.805 3.483 0 40 DGAB O=C(NC1CC1)[C@H](NCc1ccc(F)cc1)c1ccc(F)cc1 57554305 QKTNUSXYFWHLQT-QGZVFWFLSA-N 316.351 3.074 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3389243 DYKUIXBGECBRRN-ZCFIWIBFSA-N 314.823 3.014 0 40 DGAB CC(C)(C)c1cc(CC2(NCc3ccccc3F)COC2)no1 67897840 XXFNRZSLAGFQLF-UHFFFAOYSA-N 318.392 3.213 0 40 DGAB biogenic,in-vitro O=C(NC[C@H]1CCCN(Cc2cccs2)C1)c1cccs1 58289254 FKMXJRHFIMTLHZ-CYBMUJFWSA-N 320.483 3.452 0 40 DGAB COc1ccc(C(=O)[C@@H](CCCO)[C@H]2CCOC(C)(C)C2)cc1 2139293 CFFPLOUXQRJWDM-RDJZCZTQSA-N 320.429 3.472 0 40 DGAB biogenic CN(Cc1ccccc1NC(=O)C1CC1)C(=O)OC(C)(C)C 58342120 BISOHRKTMXRQQO-UHFFFAOYSA-N 304.390 3.402 0 40 DGAB Cc1noc([C@@H](C)Sc2nnc3sc4ccccc4n23)n1 48235953 FZLJNNWAWQLJNC-SSDOTTSWSA-N 317.399 3.489 0 40 DGAB Cc1cc(C(=O)N2CCc3sccc3C2)c2c(C)noc2n1 10924832 QCZOVKQRSNCBPA-UHFFFAOYSA-N 313.382 3.100 0 40 DGAB COc1ccc(OCCNC(=O)Cc2ccc(C)c(C)c2)cc1 24276424 UAQQMJPBQBBHST-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB O=C(NCc1ccco1)N1CCO[C@@H](c2ccccc2Cl)C1 69586937 RSPYXLOLGXICEL-OAHLLOKOSA-N 320.776 3.216 0 40 DGAB CCCNC(=O)[C@H](C)NC(=O)Nc1ccc(Cl)c(Cl)c1 12972089 QHHILGWNSPKPEK-QMMMGPOBSA-N 318.204 3.030 0 40 DGAB CC(C)c1ccc(NC(=O)CN(C)C(=O)c2ccco2)cc1 13012957 BHUZTQOJOAFCAB-UHFFFAOYSA-N 300.358 3.114 0 40 DGAB Cc1cccc2[nH]cc(CCNC(=O)N[C@@H](C)c3ccncc3)c12 69622174 KQDPDYAONFSVTG-AWEZNQCLSA-N 322.412 3.474 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)CC1CCCC1 64089515 KHTRYFOBNKDMRX-UHFFFAOYSA-N 316.430 3.171 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)n1C(C)C 69849162 NNJYVRBACSJGFV-QGZVFWFLSA-N 314.433 3.397 0 40 DGAB CC(=O)c1cccc(NC(=S)Nc2ccc(C(=O)O)cc2)c1 13796026 WLZRUWIAQSEPOG-UHFFFAOYSA-N 314.366 3.396 0 40 DGAB CN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 5121349 KKSNWLUQVHWLTB-UHFFFAOYSA-N 301.411 3.391 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(Cn2cccn2)cc1 14085545 KXVMRQZRQDHZBE-UHFFFAOYSA-N 305.381 3.204 0 40 DGAB Cc1ccc(F)c(NC(=O)c2nn(-c3ccccc3)nc2C)c1 14095327 LXHHYEZCXUQGDE-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)N(C)c2ccccc2)cc1 14275957 GUUSEWKBKLOLLZ-ZDUSSCGKSA-N 312.369 3.075 0 40 DGAB Cc1cccc(Cc2c(C)nc3nc(C(F)(F)F)nn3c2O)c1 18223177 XBTZALNSLZTKJR-UHFFFAOYSA-N 322.290 3.056 0 40 DGAB CCOc1ncccc1C(=O)OCc1nc2ccccc2s1 6537168 JVVAIKKJZYCYFZ-UHFFFAOYSA-N 314.366 3.447 0 40 DGAB COCCCNC(=O)c1ccc(CN2CCc3ccccc32)cc1 20488779 INBADQLFUVITCB-UHFFFAOYSA-N 324.424 3.016 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccccc1)C1CC1 6663399 VUPZLIBAVXALSK-GOSISDBHSA-N 309.365 3.018 0 40 DGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccc(O)cc1 5693985 KVAKTKJKZKTNNN-UHFFFAOYSA-N 314.337 3.351 0 40 DGAB Cc1ccc(OCc2n[nH]c(SCC(=O)C(C)(C)C)n2)cc1 6711119 WYKHAUMPNRNPIC-UHFFFAOYSA-N 319.430 3.399 0 40 DGAB Cc1ccc(-c2noc(-c3sc4nc[nH]c(=O)c4c3C)n2)cc1 67225223 SUCYUAJZBUAEIV-UHFFFAOYSA-N 324.365 3.318 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1C[C@@H]1c1cccc(F)c1 67528849 SNSHAOSKHBGIFH-VXGBXAGGSA-N 318.377 3.232 0 40 DGAB COCc1ccccc1C(=O)NCCN1c2ccccc2C[C@@H]1C 68293532 BLTLHHZXFHLVKV-HNNXBMFYSA-N 324.424 3.014 0 40 DGAB CN(C)c1ccc(C(=O)OCCOc2ccccc2F)cc1 7786154 SNAZFXSMXPBRRV-UHFFFAOYSA-N 303.333 3.128 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Cc2noc3ccccc23)c1 7808285 WUKQLUZPXTVYMZ-UHFFFAOYSA-N 324.336 3.104 0 40 DGAB O=C(c1cc(Cl)c2c(c1)OCCO2)N1CCc2ccccc21 7987891 SBGJRTVMEYOYBZ-UHFFFAOYSA-N 315.756 3.314 0 40 DGAB Cc1cc(S(=O)(=O)N(Cc2cccnc2)C(C)C)sc1C 91039546 FRTPZZJCWMJPOB-UHFFFAOYSA-N 324.471 3.359 0 40 DGAB Cc1cccc2c(CCNC(=O)CCc3ccccn3)c[nH]c12 96423818 MTYCMRXEXGJKQX-UHFFFAOYSA-N 307.397 3.163 0 40 DGAB COCCCN(Cc1ccncc1)C(=O)c1ccc(Cl)s1 71882981 CVGAVNXWXWOCIA-UHFFFAOYSA-N 324.833 3.475 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1c1nccs1 72272094 DREPGOOXHIWLCY-AWEZNQCLSA-N 319.430 3.434 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)c3ccsc3)C2)no1 72232191 CXROZGMRUSTHFJ-LLVKDONJSA-N 305.403 3.274 0 40 DGAB CC(C)(C)SCC(=O)N(C[C@@H]1CCCO1)c1ccncc1 72284841 ZZMIVKUBAVRYBE-AWEZNQCLSA-N 308.447 3.125 0 40 DGAB CC(C)n1ncc2c(=O)n(Cc3cc4ccccc4s3)cnc21 97114282 KFQUPBAVIJLOOR-UHFFFAOYSA-N 324.409 3.437 0 40 DGAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1cc2sccc2[nH]1 97105916 JGFQVPNLUYKFOE-NSHDSACASA-N 320.414 3.035 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](O)c2ccc(Cl)c(F)c2)n1 97142716 KTCBDRYRWKFGAC-CYBMUJFWSA-N 323.755 3.038 0 40 DGAB OCc1ccncc1NCc1ccc(OC(F)F)c(Cl)c1 95448709 XYOHXUYTNASETP-UHFFFAOYSA-N 314.719 3.441 0 40 DGAB CC(C)c1ccc(OCCNC(=O)[C@H]2CC23CCOCC3)cc1 98018330 RKOUKBJIUKQGQQ-QGZVFWFLSA-N 317.429 3.122 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccn(-c3ccccc3)n2)no1 73915605 ZSTNEFDGVUBKIZ-KRWDZBQOSA-N 322.368 3.146 0 40 DGAB Cc1nc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)oc1C 95984689 STVHPLFTIURPQB-CYBMUJFWSA-N 313.401 3.269 0 40 DGAB Cc1ccc(CCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCSC2)o1 89652882 DLIZTGCCKMAYRS-ZBFHGGJFSA-N 323.458 3.034 0 40 DGAB O=C(NCCc1ccccc1F)c1ccc(OC(F)F)cc1 23149436 XFGQUUTWWJFTCE-UHFFFAOYSA-N 309.287 3.400 0 40 DGAB CC(=O)N1CCc2c(NCc3cn(C(C)C)nc3C)cccc21 546655782 ZCODPVZVLZYOFN-UHFFFAOYSA-N 312.417 3.294 0 40 DGAB Oc1ccc(Cl)cc1-c1nc2cc3c(cc2[nH]1)OCCO3 37311603 WALGLRWZLPYTMK-UHFFFAOYSA-N 302.717 3.360 0 40 DGAB O=C(Cc1noc(-c2cccc(F)c2)n1)Nc1ccccc1F 35316256 DLDQDABFGFVPPG-UHFFFAOYSA-N 315.279 3.196 0 40 DGAB O=C(NCc1nc(-c2cccs2)no1)c1ccccc1Cl 36133278 RCSTVZSQQQJOOL-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB COc1ccc(-c2cc(=O)c3ccc(OC)cc3o2)c(OC)c1 57884 YPQZGQIOLDZFBE-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@H]1CC(C)C 1505840737 YDIFCVPDLGJGPX-CVEARBPZSA-N 314.385 3.113 0 40 DGAB CC(C)C[C@H](C(=O)N1CC[C@]2(O)CCCC[C@@H]2C1)n1cccc1 524729028 JHWNECDRCUHGEB-ZHALLVOQSA-N 318.461 3.229 0 40 DGAB biogenic O=C(NCc1ccncc1)Nc1cccc(Br)c1 43134598 NODGFJZEISBNRY-UHFFFAOYSA-N 306.163 3.166 0 40 DGAB CCCN1CCC(NC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 36330629 OYDLKUZQSIKGSE-UHFFFAOYSA-N 319.493 3.129 0 40 DGAB in-vivo CC(C)N1CCC[C@H](Cc2cc(Nc3nccs3)ncn2)C1 72361667 AFAIOGMFYYFLDB-CYBMUJFWSA-N 317.462 3.340 0 40 DGAB CN(C(=O)CN1C(=O)c2cccc3cccc1c23)C1CCCC1 38756215 LVWDQDACQIFFMQ-UHFFFAOYSA-N 308.381 3.201 0 40 DGAB CCc1sc(-n2cccc2)nc1C(=O)NCc1ccccc1 1565524185 FEWUWOWSBIQFNP-UHFFFAOYSA-N 311.410 3.426 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(C)s2)cc1 72333994 KEAHKDIRRHNREM-CYBMUJFWSA-N 317.410 3.399 0 40 DGAB Cc1cc(C(=O)NC[C@@H](O)c2c(F)cccc2F)c(C)s1 77634936 SIZLWZCKDYQXMO-CYBMUJFWSA-N 311.353 3.107 0 40 DGAB Cc1ccc(C2=CCN(CC(=O)N3CCCC[C@@H]3C)CC2)o1 72342261 BPBFEQMHFAWIPO-AWEZNQCLSA-N 302.418 3.078 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)Cc2ccc(F)cc2)c1 224045436 KOMHPCXSDIVYFD-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCCOc1c(I)cc(F)cc1C=O 225271647 LDLVKIMLYYZXIU-UHFFFAOYSA-N 308.090 3.032 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 40160933 QXKZXXVQUVQZMG-VFNNOXKTSA-N 321.804 3.155 0 40 DGAB CC(C)(NC(=O)CCc1cn[nH]c1)c1nc2ccccc2s1 530265956 OFWUDEHRXPJNNS-UHFFFAOYSA-N 314.414 3.004 0 40 DGAB CCOC(=O)c1nc(-c2ccc(Br)cc2)[nH]c1C 42270671 SYRXOWSGFMSGEL-UHFFFAOYSA-N 309.163 3.324 0 40 DGAB Cc1cc(NC(=S)NCC(C)C)ncc1Br 223877486 ZQMQQAOUCBZMRF-UHFFFAOYSA-N 302.241 3.095 0 40 DGAB COc1ccc(CC[S@@](=O)Cc2ccc(C)nc2C)cc1 195579450 HQJUWBSMFQLYNY-OAQYLSRUSA-N 303.427 3.198 0 40 DGAB O=S(=O)(NNc1ccccc1)c1ccc2c3c(cccc13)CC2 226862256 FDJAEPUTWHAQKD-UHFFFAOYSA-N 324.405 3.244 0 40 DGAB CO[C@@H](C)c1nc(Cl)cc(-c2ccc3c(c2)OCCO3)n1 96529178 NYDXZPXXVCCRJM-VIFPVBQESA-N 306.749 3.276 0 40 DGAB CO[C@@H]1CCN(Cc2nccs2)C[C@@H]1Cc1ccccc1 96110151 XPPWZDFPNOPESY-JKSUJKDBSA-N 302.443 3.223 0 40 DGAB c1ccc2c(c1)OCCC[C@@H]2NCc1nnc2n1CCCCC2 96476381 VZMTXUPPPKYDFT-HNNXBMFYSA-N 312.417 3.008 0 40 DGAB Cc1cc2nc(CO[C@H]3CN(CC4CC4)C[C@H]3F)[nH]c2cc1C 96112352 VSZSPPZUTKXHKX-PBHICJAKSA-N 317.408 3.129 0 40 DGAB biogenic,in-vitro CC(C)(O)CSCCNC(=O)c1c(Cl)cccc1Cl 96446798 QBDDQLDXGPQGBB-UHFFFAOYSA-N 322.257 3.227 0 40 DGAB O=C1NC(=S)/C(=C/Nc2ccc(Br)cc2)S1 618254475 CFMIKPKCQSLZFB-YVMONPNESA-N 315.217 3.486 0 40 DGAB CN(C(=O)[C@H]1CCCO1)c1ccc(Br)cc1Cl 270127941 XDWGLXPGNGUIJF-LLVKDONJSA-N 318.598 3.244 0 40 DGAB c1ccc(Nc2cccc(C[C@H]3CCC[C@@H]4CNC[C@@H]43)n2)nc1 585263301 VMPPXGNJFDRMKC-BFYDXBDKSA-N 308.429 3.398 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCOC[C@H]1C 46256404 UGYWPKCTLXMESF-SNVBAGLBSA-N 320.389 3.119 0 40 DGAB CC(C)(C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccc(F)cc1 97045088 SFGMMGSORQCCJH-ZDUSSCGKSA-N 321.392 3.207 0 40 DGAB CCc1nnc2sc(-c3cc(N)c(Cl)cc3Cl)nn12 15423936 JYZXFEVIKRKBKL-UHFFFAOYSA-N 314.201 3.304 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2F)cc1 16311706 GXHXTUSAYCOZFM-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB CC(C)c1ccc([C@@H]2CC(=O)C[C@H](Nc3nonc3N)C2)cc1 19974014 WNICXMLXSSQAHX-UONOGXRCSA-N 314.389 3.093 0 40 DGAB COC(=O)C[C@H]1C[C@@H]2CC(F)(F)[C@@H](C1)N2Cc1ccccc1 169805746 XXNYMPPUQFEXAY-RRFJBIMHSA-N 309.356 3.238 0 40 DGAB Cc1sc2ncnc(SCC(=O)NCC(C)C)c2c1C 1291284 ZEHTXPGIOMMUFX-UHFFFAOYSA-N 309.460 3.172 0 40 DGAB Cc1nc(CC(=O)Nc2cccc(Br)c2)cs1 7995531 NAHRLZQLDADNLZ-UHFFFAOYSA-N 311.204 3.395 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CC(N2C[C@H]3CCC[C@@H]3C2)C1 1888869547 SKVVROIXUSZEIR-VXGBXAGGSA-N 322.811 3.035 0 40 DGAB CC[C@H](C(=O)NCc1ccc(-c2ccnn2C)o1)c1ccccc1 1888897794 VLSIDKUNVCXTLZ-INIZCTEOSA-N 323.396 3.490 0 40 DGAB CO[C@@H](CCSC)CNC(=O)c1cccc2ccccc12 1888914170 JAPVZXFSZGZBRL-AWEZNQCLSA-N 303.427 3.338 0 40 DGAB OCCN(Cc1cccnc1)Cc1ccc(Cl)c(Cl)c1 13569586 LQJSDKFCQZKPKW-UHFFFAOYSA-N 311.212 3.383 0 40 DGAB CNC(=O)c1ccsc1NC(=O)CCSc1ccccc1 4326528 GUJYSWRGMDOONZ-UHFFFAOYSA-N 320.439 3.229 0 40 DGAB c1ccc(N2C[C@H]3CN(c4nc5ccccc5s4)C[C@H]3C2)nc1 2298092185 KOFDVQXMDWVPEW-OKILXGFUSA-N 322.437 3.264 0 40 DGAB CC(=O)C[C@@]1(O)C(=O)N(Cc2ccc(C)cc2)c2c(C)cccc21 4987972 WRXPPANOWYQWCJ-FQEVSTJZSA-N 323.392 3.017 0 40 DGAB Cc1ccc(C)c(C(=O)NCCN2CCc3ccccc3C2)c1 31338061 SEORBMTVXTWOBL-UHFFFAOYSA-N 308.425 3.092 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]21 100631055 RNHYQCCLWKGTBH-JOCBIADPSA-N 309.409 3.207 0 40 DGAB CCOC(=O)c1[nH]c2ccc(O)cc2c1C(=O)c1ccccc1 36616 LKJJKWCGBMTNAW-UHFFFAOYSA-N 309.321 3.281 0 40 DGAB COC(=O)c1ccccc1OCc1cc(=O)oc2ccc(C)cc12 1617300 AEWJHLXXHVQICB-UHFFFAOYSA-N 324.332 3.467 0 40 DGAB CSc1ccccc1NC(=O)[C@@H](C)OC(=O)C1CCCC1 32766774 LSFQAMRDARSDSS-LLVKDONJSA-N 307.415 3.469 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1C 4173605 UGHVKKXOWDLSOH-UTSOLEGOSA-N 315.413 3.228 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@H]1Cc1cccc(F)c1 46626809 RFCUSXYXDJDBPL-DLBZAZTESA-N 305.393 3.318 0 40 DGAB Cn1c(SC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 7343481 FCZBDSAFVMFTSL-UHFFFAOYSA-N 312.350 3.235 0 40 DGAB COc1cccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)c1 101275891 BKMDOXFTSVHXII-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB CCCc1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)[nH]n1 69491046 YQXUIWHHZJTLTI-UHFFFAOYSA-N 315.295 3.160 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCCC1CCN(C)CC1 176330045 PDNNUUHDHBLZQR-QGZVFWFLSA-N 318.461 3.001 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 100768864 FMQDMQUOYGUJQW-BPQIPLTHSA-N 300.446 3.158 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccc(C)cc2)cc1OC 20489814 ABDOYYCKCNDHLX-CQSZACIVSA-N 313.397 3.432 0 40 DGAB O=C(c1ccco1)N1CCC(NCc2cccc(Cl)c2)CC1 42206486 FZGQQFJLNUGBOU-UHFFFAOYSA-N 318.804 3.327 0 40 DGAB CC(=O)c1c[nH]c(C(=O)O[C@@H](C)C(=O)c2ccc(Cl)cc2)c1 9833803 CBLWTRPHMVLMQQ-JTQLQIEISA-N 319.744 3.299 0 40 DGAB Cc1ccoc1C(=O)NCc1ccc(CN(C)C(C)C)cc1 54119748 CIUMYPPGJWOFBB-UHFFFAOYSA-N 300.402 3.358 0 40 DGAB CCOc1ccc(N[C@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 101275205 WIEPKZHNFXPDDU-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB O=c1/c(=N\Nc2nc3ccccc3o2)c2cccc3cccc1c32 105854158 KAESMPOHBINXNO-FXBPSFAMSA-N 313.316 3.298 0 40 DGAB Cc1ccsc1CNC(=O)C[S@](=O)CC1CCCCC1 178286924 JWEUNUYSTWOHLK-HXUWFJFHSA-N 313.488 3.002 0 40 DGAB O[C@@H](CN1CCN(c2ccccc2Cl)CC1)c1ccccc1 25436845 PNWMQQKQDQGVLS-SFHVURJKSA-N 316.832 3.196 0 40 DGAB C[C@H]1CN(C(=O)CNc2ccc(Cl)cc2Cl)C[C@@H](C)O1 57525215 NOINLDCDBZIFFW-AOOOYVTPSA-N 317.216 3.041 0 40 DGAB Cc1ccc([C@@H](Cc2ccccc2)NCCN2CCOCC2)cc1 22875090 JPWJDMZLHLFVQL-OAQYLSRUSA-N 324.468 3.201 0 40 DGAB COc1ccccc1N1CC[C@H](CNC(=O)C2CCCCC2)C1 58192795 PZHYZUVHFBBEAX-OAHLLOKOSA-N 316.445 3.218 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1F 44890292 QNLOVZWNQFNRND-SUMWQHHRSA-N 313.376 3.121 0 40 DGAB CCN(CC)c1ccc(C(=O)OCC(=O)c2ccco2)cc1 3319531 UYNPRGKZNSWRGA-UHFFFAOYSA-N 301.342 3.166 0 40 DGAB CCc1cccc(NC(=O)c2ccc(-n3c(C)c[nH]c3=O)cc2)c1 48291136 RBXPHBFLNROERU-UHFFFAOYSA-N 321.380 3.289 0 40 DGAB O=C(CCC(=O)c1ccc2c(c1)CCC2)Nc1nccs1 12892955 YKDGTSDTGJWVIA-UHFFFAOYSA-N 300.383 3.233 0 40 DGAB CCc1nnc(NC(=O)c2c3c(nc4ccccc24)CCC3)s1 3428480 CTGFLOWZGCUYIM-UHFFFAOYSA-N 324.409 3.390 0 40 DGAB CC(C)NC(=O)C1CCN(c2snc3ccccc23)CC1 69582441 CUONQARPWCJDGN-UHFFFAOYSA-N 303.431 3.037 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 69527844 QQTQSMMMWCVAIT-CYBMUJFWSA-N 322.836 3.109 0 40 DGAB CCCNC(=O)N(C)Cc1c(C)nn(-c2ccccc2)c1C 13016054 MSXCCZPDJCKPPT-UHFFFAOYSA-N 300.406 3.041 0 40 DGAB O=C([C@H]1C[C@@H]1c1ccco1)N(CC(F)(F)F)c1ccccn1 60350758 SMJBGRBMHWYIAT-QWRGUYRKSA-N 310.275 3.374 0 40 DGAB COCc1nc(C(=O)N2CCC[C@H]2c2cccs2)cs1 49175099 PQQHHEREDXIIEV-NSHDSACASA-N 308.428 3.328 0 40 DGAB Cc1ccc([C@H]2SC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 4085511 LTCDNRNJGSQRKJ-CHWSQXEVSA-N 323.414 3.431 0 40 DGAB CSc1ncc(Cl)c(C(=O)Nc2nc(C)c(C)s2)n1 13628364 BNUHAVPZYYUDLI-UHFFFAOYSA-N 314.823 3.178 0 40 DGAB COc1c(C)cc(CN(C)C(=O)NCc2ccncc2)cc1C 69704781 MMUKDAWVHWTRLC-UHFFFAOYSA-N 313.401 3.049 0 40 DGAB Cc1ccc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)cc1 6003712 XSAKWJQBFKJURR-UHFFFAOYSA-N 318.394 3.064 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 39975752 KKWSPNFKMBJHLK-VIFPVBQESA-N 319.430 3.444 0 40 DGAB CC(C)(C)c1ccc(NC(=O)c2ccc(-n3cnnn3)cc2)cc1 6313568 PUSQTRJRLOWVCR-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB C[C@H](OC(=O)CC1CCCC1)c1nc2ccccc2c(=O)[nH]1 5355769 WGIDUXUKYCMQGU-NSHDSACASA-N 300.358 3.108 0 40 DGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC[C@H]1c1ccccc1 14101206 PCWJPLJTAHNRBU-INIZCTEOSA-N 323.364 3.491 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](n2cccn2)C1 65609719 IRFQUXIKVSMQSW-WMZOPIPTSA-N 309.413 3.167 0 40 DGAB COc1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 8719701 JNBMFCZTEYODAD-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c1 6604188 QXYZCKRSSJNJQP-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@H](CC(C)C)n2ncnc2N1 6668928 FUTJUJMJRHBJLK-AWEZNQCLSA-N 311.389 3.204 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224819 BJYLTEQTBXTSPT-CYBMUJFWSA-N 324.384 3.260 0 40 DGAB O=C(NCc1ccncc1)c1ccc(C2SCCS2)cc1 9322208 KHUUJKYYOQHYBP-UHFFFAOYSA-N 316.451 3.490 0 40 DGAB C[C@H](NC(=O)c1ccc(Cn2nnc3ccccc32)cc1)C1CC1 9477543 IIZSSCOQHSJKAO-ZDUSSCGKSA-N 320.396 3.008 0 40 DGAB CC(=O)N(C)c1nc(CN(CC(C)C)CC(F)(F)F)cs1 71900552 CQWRRNOBMCOECK-UHFFFAOYSA-N 323.384 3.146 0 40 DGAB C[C@H](C(=O)O)[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 97035721 KHZNYMVVDXESQA-LRDDRELGSA-N 322.364 3.360 0 40 DGAB Cc1nc(CN2CCC[C@H](c3ccnn3C)C2)nc2ccccc12 72270574 QVWCEOFFNHWEDM-HNNXBMFYSA-N 321.428 3.051 0 40 DGAB CN(CCO)C(=O)Nc1ccc(-c2cccc(F)c2)c(F)c1 97107823 ANYZWZZNTLILQD-UHFFFAOYSA-N 306.312 3.088 0 40 DGAB Cc1nc([S@@](=O)Cc2ccc(-n3cccn3)cc2)sc1C 97115202 JBVWURRKEDKSMY-OAQYLSRUSA-N 317.439 3.253 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc3c(c2)CCC3)c1 72331190 MQEPAKAYTJCCKY-UHFFFAOYSA-N 323.392 3.208 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)NCc1cnc(C)s1 78940822 SJUNGBGQLJPEIE-VIFPVBQESA-N 323.393 3.160 0 40 DGAB CC(C)[C@@H](O)C(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2 95973802 YGWCVYHGYGBGLI-LZUXJJCOSA-N 307.478 3.362 0 40 DGAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)c1ncoc1[C@@H]1CCCO1 89828011 PNYXGLCAENMAJL-KKUMJFAQSA-N 312.369 3.060 0 40 DGAB COc1ccc(CNC(=S)c2cccc(OC)c2OC)cc1 408575305 UDHFXFXPBWPEGF-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB COc1ccc(CNc2ccc(Cl)cn2)c(OC)c1OC 78632308 ZCTNQMSUTMVNAF-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1c(Cl)cccc1Cl)[C@H]1C=C[C@H]2C1 408710603 PVDNGXRVNVWUJS-WBRVRECLSA-N 322.191 3.301 0 40 DGAB O[C@]12N=C3CCCC[C@H]3[C@@]1(O)c1ccccc1-c1ccccc12 39380689 RXOQDDUDMAFGCY-HOJAQTOUSA-N 305.377 3.345 0 40 DGAB Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1ccccc1)C3 72341546 JHHSGMIBFPHSIB-UHFFFAOYSA-N 318.376 3.464 0 40 DGAB Cc1cncc(CN2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)c1 189869843 OQNRWJXOPGDXTM-HNNXBMFYSA-N 319.449 3.079 0 40 DGAB CSC[C@H](C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79361014 AZHJCILEERRLGW-ZRNGKTOUSA-N 319.879 3.156 0 40 DGAB Cc1ncc(CNC(=O)N[C@@H]2C[C@H]2c2cccc(Cl)c2)s1 77556340 ZSNWFGZUQGQALT-UONOGXRCSA-N 321.833 3.460 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](Cc1cc2ccccc2s1)C(=O)O 44297263 PTUFDSOJVUCHQE-LBPRGKRZSA-N 321.398 3.422 0 40 DGAB O[C@@H](CSCc1ccc(-n2cccn2)cc1)C(F)(F)F 195578408 BQHKPQBLCBRDBE-LBPRGKRZSA-N 302.321 3.029 0 40 DGAB OC[C@H](NCc1csc(C2CCCCC2)n1)[C@H]1CCCOC1 574019007 NFOURCHVNATGNG-HOCLYGCPSA-N 324.490 3.068 0 40 DGAB COc1ccc(OCCC2CCNCC2)c(Br)c1 42770168 ZSNOHCUNAOATSH-UHFFFAOYSA-N 314.223 3.226 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1ccc(Cl)cc1-n1cccn1 191497032 XDJVGDMBSKGETL-LBPRGKRZSA-N 305.765 3.033 0 40 DGAB O=C(O)CCCc1nc2cccc(Cl)c2n1C[C@@H]1CCCO1 95095665 IZDLTFDNTGYORA-NSHDSACASA-N 322.792 3.276 0 40 DGAB Cc1ccccc1CN1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 96244934 NBHPFSUAVZIGRN-MJGOQNOKSA-N 321.424 3.343 0 40 DGAB CC(C)Oc1ccc(CNC(=O)NCCC(F)(F)F)cc1F 96439922 UWOAOQSYGQLIAK-UHFFFAOYSA-N 322.302 3.365 0 40 DGAB CCn1c2nc(S)nnc2c2cc(C)cc(Br)c21 96319338 URFAIMAXRDUGNC-UHFFFAOYSA-N 323.219 3.359 0 40 DGAB CCN1CCC(NCc2c[nH]nc2-c2cc3ccccc3o2)CC1 97159725 GJFKIKYNKPBSRH-UHFFFAOYSA-N 324.428 3.397 0 40 DGAB O=C(NC1CC(F)(F)C1)N[C@@H]1CCOc2c(Cl)cccc21 582396784 WABNETAWZOCRAY-LLVKDONJSA-N 316.735 3.261 0 40 DGAB S=C(Nc1cccnc1)N1CCCn2c1nc1ccccc12 95115689 GQASAFNXNRODQO-UHFFFAOYSA-N 309.398 3.038 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)N(C)CCc1nccs1 95435430 AUQGFSOCYUPVDE-AWEZNQCLSA-N 317.458 3.261 0 40 DGAB COCc1nc(C(=O)N2CCC3(CCCCC3)CC2)cs1 96402849 KJEHCIMCRULMGU-UHFFFAOYSA-N 308.447 3.476 0 40 DGAB CCN(C)c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C 252477782 VNTLMBXJRRJLCH-APHBMKBZSA-N 317.433 3.078 0 40 DGAB O=C(Cc1ccc(F)cc1)NC1(c2cccs2)CCOCC1 390826959 DCVABYJBGDBYEA-UHFFFAOYSA-N 319.401 3.252 0 40 DGAB O=C(COc1nncc2ccccc12)NC1CCCCCCC1 49873780 UESIBOYSOSBALU-UHFFFAOYSA-N 313.401 3.238 0 40 DGAB COc1ccc(NC(=O)NC[C@H]2CCCc3ccccc32)cn1 58369625 PHJHBRPNFPRWJP-CQSZACIVSA-N 311.385 3.332 0 40 DGAB Cc1ccc([C@H](NC(=O)NCc2cnn(C)c2C)C(C)(C)C)o1 95443352 ZUWZYVQVVRHPCY-HNNXBMFYSA-N 318.421 3.217 0 40 DGAB COc1ccc(C=O)cc1OCc1nc(CCC(C)C)no1 75123830 BDQGKZTUNZTRMU-UHFFFAOYSA-N 304.346 3.058 0 40 DGAB COc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)O2)cc1OC 431143 NJGIKVIEAIHKPT-XNTDXEJSSA-N 323.348 3.357 0 40 DGAB O=C(c1cc(F)cc(I)c1)C(F)(F)F 604221539 IEZJDAXBLBDWIG-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB CC(=O)N[C@@H](CCC(C)(C)SCc1ccccc1)C(=O)O 5662991 MDOSBVCCUJMLFT-AWEZNQCLSA-N 309.431 3.068 0 40 DGAB CCN1C(=O)CN2c3ccc(Br)cc3C(C)(C)[C@@]12C 5322251 RCTMYNFMLVAPOP-HNNXBMFYSA-N 323.234 3.125 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cc(F)cc(F)c1 13265223 SKCCEHZOLXVSJB-WMLDXEAASA-N 301.340 3.325 0 40 DGAB COc1ccc(C)cc1NC(=O)CSc1nc(C)cs1 3413819 ILXKVZDENOVIDO-UHFFFAOYSA-N 308.428 3.499 0 40 DGAB C[C@H]1CCCN(C[C@H](O)COc2ccc(Cl)cc2Cl)C1 6455764 VDCAHDGCQYGKRX-AAEUAGOBSA-N 318.244 3.465 0 40 DGAB COC(=O)CCCC(=O)c1ccc(OC(F)(F)C(F)F)cc1 575360704 GYOAIJZFPYUNGO-UHFFFAOYSA-N 322.254 3.449 0 40 DGAB Cc1cc(C)n([C@@H](CNC(=O)c2ccoc2)c2cccs2)n1 575610545 PNADIQQHROCUQZ-AWEZNQCLSA-N 315.398 3.174 0 40 DGAB Cc1cncc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298187874 OOBGPTWFGOZLMZ-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB COc1ccc(CCN2CCN(c3cccc(C)c3)CC2)cc1 40017926 CVVRURBBWBZZJH-UHFFFAOYSA-N 310.441 3.368 0 40 DGAB C[C@@]1(C(=O)NCCOc2cccc(Cl)c2)CC1(Cl)Cl 40108398 LZHAEWJKOIKPTB-LBPRGKRZSA-N 322.619 3.419 0 40 DGAB CN(C(=O)c1nn(-c2ccccc2)c2c1CCC2)C1CCCC1 40479969 IJRPAXMDKDJHSF-UHFFFAOYSA-N 309.413 3.376 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 101357377 LXKDCMXDCMYIEL-WRFANHODSA-N 311.381 3.177 0 40 DGAB COc1cccc2ccc(-c3nn4c(C5CC5)nnc4s3)nc12 20731432 WJINTGNLTFGVRZ-UHFFFAOYSA-N 323.381 3.287 0 40 DGAB CCOC(=O)c1ccccc1C(=O)c1ccccc1CN1CCC1 2515604 WHSGLWFERWGILU-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB CN(Cc1ccccc1)C(=O)c1cc(Br)ccc1O 11639368 ZVYDQHKUMGIDEA-UHFFFAOYSA-N 320.186 3.427 0 40 DGAB Cc1cc2nnc(SCC(=O)OC(C)C)n2c2ccccc12 421216 CNAWXJJHGKZWGQ-UHFFFAOYSA-N 315.398 3.235 0 40 DGAB CCN(CCO)CC(=O)c1cc(Cl)cc(Cl)c1Cl 1671647 UCJYYTKWHJFJST-UHFFFAOYSA-N 310.608 3.144 0 40 DGAB CCCCC(=O)NCCc1nc(-c2ccc(Cl)cc2)no1 41156455 QOMVVJUGMVIKQM-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB O=C(CCCCC(=O)NC1CCCCC1)NC1CCCCC1 6073427 PKVJISUKBKNJRJ-UHFFFAOYSA-N 308.466 3.445 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1cc(F)ccc1F)c1ccccc1 7987665 FEPOHFTXCQEUSJ-HNNXBMFYSA-N 318.323 3.171 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccccn1 21893869 UTUVEQQJCAXOLQ-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)N1CCC(C)CC1 529552 HVIVNCUXWMPBIJ-UHFFFAOYSA-N 315.442 3.289 0 40 DGAB CCOc1ccc2[nH]c3c(NC[C@H]4CCCO4)ncnc3c2c1 543833 LVSZAHVZCAZHBH-GFCCVEGCSA-N 312.373 3.101 0 40 DGAB COc1ccccc1CCNC(=O)NCC1(c2ccccc2)CC1 22427474 VSCQBWAOEXKGDU-UHFFFAOYSA-N 324.424 3.269 0 40 DGAB Cc1ccc(-c2noc(CS(=O)(=O)c3ccccc3)n2)cc1 23125801 RQIMQEYJNLHJTE-UHFFFAOYSA-N 314.366 3.019 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)c1cnn(-c2ccccc2)n1 23228076 HWUSMYNOKKLRGH-AWEZNQCLSA-N 300.406 3.212 0 40 DGAB Oc1ccc(N2CCN(Cc3ccccc3Cl)CC2)cc1 23653833 FVPPSRFZOBUXFW-UHFFFAOYSA-N 302.805 3.368 0 40 DGAB Cc1cccc(OCCNC(=O)c2c(C)noc2C(C)C)c1 23796745 HFXAUQZRJLOUNT-UHFFFAOYSA-N 302.374 3.224 0 40 DGAB Cc1ccc([C@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2)o1 48086288 CSNGYMFDAMGQPV-ZDUSSCGKSA-N 314.389 3.466 0 40 DGAB CC(=O)Nc1ccc(O)c(C(=O)N[C@@H](C)c2ccccc2C)c1 55106933 MDOGZMLHJZWUSW-LBPRGKRZSA-N 312.369 3.150 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccc2c3c(cccc13)CC2 109952445 YMAPZFYGHFEMNH-UHFFFAOYSA-N 323.417 3.417 0 40 DGAB CC(C)COC1CCN(C(=O)CSc2ccccc2)CC1 55909622 XRQMFNWSBCQUHM-UHFFFAOYSA-N 307.459 3.442 0 40 DGAB O=C1c2ccccc2C(=O)N1CCCN1CCCc2ccccc21 25405887 ZBTMHHLFADTOHQ-UHFFFAOYSA-N 320.392 3.126 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)N2C[C@H](C)O[C@H](C)C2)c(Cl)c1 25412602 IVOPSEPLTZZSBD-HZSPNIEDSA-N 324.852 3.393 0 40 DGAB CCC(CC)NC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3315596 QWTUCYJFZKKQQA-UHFFFAOYSA-N 318.200 3.455 0 40 DGAB CN1CCC[C@@H](CNC(=O)c2ccc(-c3ccccc3F)o2)C1 108335631 VJUUAXZWGJPPAC-ZDUSSCGKSA-N 316.376 3.157 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1)c1ccccc1F 10260925 OBPWZPUEUVMYEF-INIZCTEOSA-N 324.359 3.470 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)[C@@H]1CCCN(c2ccccn2)C1 58246279 DGXMVLZMASSPIY-SJLPKXTDSA-N 321.424 3.102 0 40 DGAB CC(=O)c1ccc(OCc2csc(-c3cnn(C)c3)n2)cc1 44972219 BYGSOQYWVWEMQC-UHFFFAOYSA-N 313.382 3.325 0 40 DGAB CN(Cc1ccccc1F)C(=O)c1cnn(Cc2ccccc2)c1 23786147 DQJNHLCFRGNVAN-UHFFFAOYSA-N 323.371 3.343 0 40 DGAB CCn1ccc2cc(NC(=O)CCNC(=O)C(C)(C)C)ccc21 58357312 ZZHAOIFZKDVPPA-UHFFFAOYSA-N 315.417 3.152 0 40 DGAB Cc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1F 58327124 UXPOBQHOHVJKIK-UHFFFAOYSA-N 310.332 3.026 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@H](C)OC[C@@H]1CCCCO1 58341124 UOFQPKYRNBDBBK-JYJNAYRXSA-N 305.418 3.146 0 40 DGAB O=C(NCCCOC1CCCCC1)c1ccc2[nH]cnc2c1 10737588 KJIZYZIUGSAWFJ-UHFFFAOYSA-N 301.390 3.032 0 40 DGAB CC(C)c1nc(Cn2cccc(C(F)(F)F)c2=O)cs1 48364689 OXNQAWHCMJBAEW-UHFFFAOYSA-N 302.321 3.495 0 40 DGAB O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1OCCc2ccccc21 28541772 HBHZMWIEGFNGQE-LJQANCHMSA-N 320.392 3.141 0 40 DGAB COc1cc(C)c(NC(=O)Cc2cccc(F)c2)cc1OC 12819524 PEWJYNBETQQRKK-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB CSc1ccc(Cl)c(C(=O)NCCCn2ccnc2)c1 3419931 LASIJRGGIPUKEN-UHFFFAOYSA-N 309.822 3.079 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccccc2C)C1=O 409244291 ARXOMALBJOQICC-NTCAYCPXSA-N 309.369 3.088 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cccc(O)c1 8752518 DBOWURPRJWVCHT-ZDUSSCGKSA-N 313.353 3.193 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1cccc(F)c1 13607504 AVUSVOYJJDNLNY-UHFFFAOYSA-N 309.344 3.188 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccc(-n2cccn2)cc1 14084731 MVMPLTRCGMXPGH-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB CCn1ccc2cc(NC(=O)Cc3c(C)nn(C)c3C)ccc21 65500926 UPINMJBUYDHIES-UHFFFAOYSA-N 310.401 3.193 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(C(=O)O)c1 4550653 BTBJYTCNNBIWNU-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB O=C(CN1CCCCCCC1)N[C@H]1CCCc2ccccc21 6561427 NUPMJULIWCEUQU-SFHVURJKSA-N 300.446 3.446 0 40 DGAB COc1ccc(C(=O)Nc2cccnc2)cc1Br 4676624 RQLAYZLGTHYAJR-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB COc1ccc(Cl)c2c1N(Cc1ccccc1F)C(=O)C2=O 6757855 SSNDVCLDTZWMCR-UHFFFAOYSA-N 319.719 3.217 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCOc2ccccc2C)cc1 5787919 JXUUDOXBAVYMES-UHFFFAOYSA-N 312.369 3.361 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)Cc3c(C)noc3C)c2)o1 66811549 HZMGCFJZXIYACR-UHFFFAOYSA-N 311.341 3.436 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@@H]1CC=CCC1 15825903 LFUBCTIOERIMNO-GOEBONIOSA-N 310.401 3.143 0 40 DGAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccccc1Cl 7597582 WRSUDNQZIPNULW-ZBEGNZNMSA-N 317.772 3.357 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 16377472 KGAIKTLZMDTZQI-GJZGRUSLSA-N 300.402 3.286 0 40 DGAB Fc1ccc(N2CCN(c3ncnc4sccc34)CC2)cc1 8148082 FEKYUOMEMOTNTH-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)c1 9364307 AZSVKOBXUMPUJB-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1C(=O)Nc1cccc(CN(C)C)c1 69487986 KBOMCWCBVDKYSY-MSOLQXFVSA-N 324.424 3.499 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCO[C@@H](c2ccccc2)C1 17178408 WVHZBEWAPHFTQI-MRXNPFEDSA-N 303.308 3.179 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccncc2)n(-c2ccccn2)n1 69698233 PMJGTIPYNRIIPI-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB O=C(COc1cc(F)ccc1F)N1CCC[C@H](C(F)(F)F)C1 69631364 DQEXMPACSYDYCS-VIFPVBQESA-N 323.261 3.145 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)Cc1noc2ccccc12 69773232 OZCFZXDDAJOTLO-CABCVRRESA-N 322.364 3.051 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2ccc(F)cc2)cn1 71841331 WIBXGTDNGVUYGA-YESZJQIVSA-N 313.376 3.026 0 40 DGAB Cc1ccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 9418842 VBLMBKUJMSSVPR-LBPRGKRZSA-N 300.358 3.125 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)NCC[C@@H]1CCCO1 84028854 KHGMTJIXNPAAAC-INIZCTEOSA-N 310.397 3.356 0 40 DGAB O=C(c1ccon1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086526 MFFDPZHITGUFGC-NSHDSACASA-N 310.275 3.323 0 40 DGAB COCc1nc(CNc2cnccc2OC(C)(C)C)cs1 95436190 XKTQZLWZTNHYIB-UHFFFAOYSA-N 307.419 3.474 0 40 DGAB CCNCc1ccccc1NC(=O)c1ccc(F)c(F)c1F 95407701 NOJDHIGXFPCRQR-UHFFFAOYSA-N 308.303 3.466 0 40 DGAB C[C@@H](NC(=O)N[C@@H](c1ccco1)C(C)(C)C)C1CCOCC1 95417172 BPWVGAXZHMEONX-DOMZBBRYSA-N 308.422 3.481 0 40 DGAB CCOC(COc1cc(Br)ccc1F)OCC 98210672 HOQQXLIOKCRGAP-UHFFFAOYSA-N 307.159 3.366 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)c(=O)[nH]1 75124298 HEVLRVAYYIPHIG-CQSZACIVSA-N 312.413 3.170 0 40 DGAB Cc1nc(C(C)(C)NC(=O)CCc2c(C)noc2C)sc1C 75142603 RNYVHIWLSGDBEX-UHFFFAOYSA-N 321.446 3.349 0 40 DGAB O=S(=O)(Cc1ccon1)Oc1ccccc1-c1ccccc1 89851220 QUTCAQRAQRFQKZ-UHFFFAOYSA-N 315.350 3.250 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 409019427 JAOKKIAHLARBMB-MRACZJACSA-N 305.355 3.250 0 40 DGAB COc1ccc(NC(=O)C(C(F)(F)F)C(F)(F)F)cc1 2272358 ZMEOLTHIIPWUSY-UHFFFAOYSA-N 301.186 3.375 0 40 DGAB biogenic Cc1ccc(CC(=O)NCc2cccc(CN3CCCC3)c2)cc1 32463324 UQKYWEXPCQNGNX-UHFFFAOYSA-N 322.452 3.450 0 40 DGAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1ccc(F)cc1 36635758 URUHIXCXJDWYSF-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CCc1cc(S(=O)(=O)Nc2cccc(F)c2)ccc1OC 74935049 ZRMGESBIMHSMCC-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2ccccc2)C1 36359151 BVJKYHPPXMQVNH-LBPRGKRZSA-N 315.398 3.103 0 40 DGAB CSc1cccc(NC(=S)Nc2cccc(C(N)=O)c2)c1 71761314 RJFTZUATGXRPGZ-UHFFFAOYSA-N 317.439 3.316 0 40 DGAB C[C@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 72203930 XHVIHPAHSMZJAP-KBPBESRZSA-N 305.422 3.132 0 40 DGAB CCN(CCNC(=S)Nc1ccncc1)c1ccc(C)cc1 225794601 LWFOHHVGVSCUCH-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB C[S@](=O)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 85308332 BXEZDRILBBZWEV-HTAPYJJXSA-N 315.438 3.428 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(OC)c(F)c1 225393231 SDWUJUKHWUNPDM-HNNXBMFYSA-N 322.424 3.219 0 40 DGAB CCCCc1nn2c(-c3c(C)nc4ccccn34)nnc2s1 227143965 MQKHRSFHXMJNPF-UHFFFAOYSA-N 312.402 3.152 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2F)C1 48267580 FULSEZSWWCAXLE-IYBDPMFKSA-N 320.452 3.243 0 40 DGAB COc1ccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)cc1 225101674 IZUDHSLOUBLGJY-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ncccc1C 225584784 VEGZQYUULOPQHU-OAHLLOKOSA-N 320.506 3.331 0 40 DGAB O=S(=O)(N[C@H](c1cccnc1)C1CC1)c1cccc(Cl)c1 330032411 MTKFKQBOLWVYKM-HNNXBMFYSA-N 322.817 3.165 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 96659691 YLCHEVTWYSKCQI-LBPRGKRZSA-N 305.374 3.274 0 40 DGAB N[C@H](c1ccc(F)cc1)c1nc(-c2cccc(Cl)c2)n[nH]1 95533254 JDLLBPHTKOYPKZ-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB CCS(=O)(=O)c1c[nH]nc1-c1ccc(Cl)cc1Cl 96510080 HTQLKWYWNJSHMO-UHFFFAOYSA-N 305.186 3.177 0 40 DGAB CC[C@H](C)N1CCc2nc(N3CCCC3)nc(NC(C)C)c2C1 96083708 UDWVXMIVRNHUPV-AWEZNQCLSA-N 317.481 3.054 0 40 DGAB Cc1cc2nc(CO[C@H]3CN(C(C)C)C[C@H]3F)[nH]c2cc1C 96112348 ZXXSBGMYLCQCAF-CJNGLKHVSA-N 305.397 3.127 0 40 DGAB biogenic,in-vitro Cc1cc(O)ccc1NC(=O)Nc1nnc(C(F)F)s1 97104810 SPOLUHGKPSNGAO-UHFFFAOYSA-N 300.290 3.134 0 40 DGAB c1cncc(CN2CCC3(CCCN3Cc3cccnc3)CC2)c1 96049319 FCMSHBOTBYKYRO-UHFFFAOYSA-N 322.456 3.107 0 40 DGAB CCCCCOCC(=O)NCc1cccc(-c2cnco2)c1 585126582 CEFVXSQGHJUIQT-UHFFFAOYSA-N 302.374 3.165 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 253505265 SOQWQZZNPGBTQR-ANVSDVBCSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro O=C(c1ccccc1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257254957 KFLZLYBJXCHEKX-BPQIPLTHSA-N 308.381 3.011 0 40 DGAB O=C(Nc1nc2ccccc2s1)N(C[C@@H]1CCOC1)C1CC1 58391397 ZVQLIOZKWVILBY-NSHDSACASA-N 317.414 3.329 0 40 DGAB CC(C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 13748612 SYNPULCSWNQFDQ-UHFFFAOYSA-N 305.447 3.008 0 40 DGAB COc1ccc([C@@H](O)c2cnc(C)n2Cc2ccccc2)cc1 5504225 HJAXDDABRHBYTA-LJQANCHMSA-N 308.381 3.330 0 40 DGAB Cc1nc(NC(=O)Nc2ccccc2)nc2c1C(=O)C[C@H](C)C2 13636322 PHTYVCWFFYSIMY-SNVBAGLBSA-N 310.357 3.194 0 40 DGAB COc1ccc(CN(C)C(=O)COc2cc(C)cc(C)c2)cc1 14401708 CFFMSNZDAQBNNX-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CC(C)C(=O)NCc1c(-c2ccc(F)cc2)nc2n1CCS2 17113001 NWFMXLDPFMPUDG-UHFFFAOYSA-N 319.405 3.067 0 40 DGAB CCN(CC)[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 19300967 HVVJUXFOQXODOL-MRVPVSSYSA-N 303.661 3.187 0 40 DGAB O=[S@](Cc1ncc(Cl)cc1Cl)c1ccc(O)cc1 163603984 JUDXYVQYTJXXMD-SFHVURJKSA-N 302.182 3.402 0 40 DGAB Cc1cc(CCC(=O)N2CC[C@@H](OCC3CC3)C2)ccc1F 390831192 QJQPRGIZVQKLBO-MRXNPFEDSA-N 305.393 3.094 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccsc1 13725107 KMSBGJAENCSMLI-UHFFFAOYSA-N 301.820 3.021 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2c(C)noc2C)cc1C 16003323 IPXQPOKFRHYTQD-UHFFFAOYSA-N 308.359 3.090 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCc1cncc(-c2ccco2)c1 575414336 CTUOBNBLCKMFEJ-CQSZACIVSA-N 322.364 3.425 0 40 DGAB CCCc1noc(CCCC(=O)Nc2ccc3c(c2)CCC3)n1 40153127 CQAXTLUTCVAMQO-UHFFFAOYSA-N 313.401 3.472 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1cccnc1 40474161 VJAOGXAORHCUID-AWEZNQCLSA-N 301.415 3.362 0 40 DGAB C[C@@H](NCC(=O)N1CCc2sccc2C1)c1ccccc1F 40486053 GVUNBYVKUNAMTB-GFCCVEGCSA-N 318.417 3.123 0 40 DGAB Cc1cc(C)n(-c2nc3ccccc3c(=O)n2-c2ccccc2)n1 45807 WNFDRMKTSXWTCF-UHFFFAOYSA-N 316.364 3.188 0 40 DGAB CCN(CC)C(=O)CSc1nnc(-c2cccc(C)c2)o1 417827 QXWZJCWRQWSJIA-UHFFFAOYSA-N 305.403 3.006 0 40 DGAB Cc1cc(C)cc(N(Cc2ccccc2F)S(C)(=O)=O)c1 582812 LFWKDSDOFUFYHC-UHFFFAOYSA-N 307.390 3.409 0 40 DGAB Cc1ccc(OCCCC(=O)Nc2ccccc2C(=O)O)cc1 1773342 RFZJFLFOXBOALS-UHFFFAOYSA-N 313.353 3.491 0 40 DGAB O=c1c2ccsc2ncn1Cc1ccc(Br)cc1 8244275 MIGPHQYPWABUSG-UHFFFAOYSA-N 321.199 3.269 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOc2cccc(C)c2)cc1 21929328 AMSOWRCRORAAMB-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB O=C(c1csc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@H]21 53377194 PURPTUATZHXJNA-CABCVRRESA-N 314.410 3.204 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@H]2CCC[C@H]21 53376837 JPRYGXFMHQKSRB-MSOLQXFVSA-N 312.413 3.271 0 40 DGAB CCCc1noc(CN(C)Cc2nc3ccccc3s2)n1 42632028 ALMRHXLPFAMAHX-UHFFFAOYSA-N 302.403 3.264 0 40 DGAB C[C@@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1(Cl)Cl 23897023 DNQIGBLBMUXVRH-OCCSQVGLSA-N 314.212 3.170 0 40 DGAB CCn1ccc(-c2cc(O)n3ncc(-c4ccc(C)cc4)c3n2)n1 100732983 GLCAZQNCGNUGPI-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB Cc1nc(C2(NC(=O)c3ccccc3F)CCCCC2)no1 24865343 YKAOOZKVDKMBJE-UHFFFAOYSA-N 303.337 3.107 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc2c(c1)CCO2 24894019 QJQFKLVXTLMHRT-UHFFFAOYSA-N 305.337 3.264 0 40 DGAB CC1(C)CCCN1C(=O)NCc1ccc(-n2ccnc2)c(F)c1 77520597 OQEPEXXVOWYHMF-UHFFFAOYSA-N 316.380 3.095 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)[C@@H]2C[C@H]2c2ccccc2)s1 27920251 GBIPSPLBDOKUGS-QWHCGFSZSA-N 314.410 3.152 0 40 DGAB Cc1nc(C2(NC(=O)[C@@H]3C[C@H]4CC[C@H]3C4)CCCCCC2)no1 107572586 DVPNVIYKOIAWON-SOUVJXGZSA-N 317.433 3.480 0 40 DGAB CCO[C@@H]1C[C@@H](Nc2ncccc2-c2nc(C)no2)C12CCC2 78360665 RWEGORFVKQLPSC-ZIAGYGMSSA-N 314.389 3.200 0 40 DGAB C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 26303299 GRFHJNDLCJPKIR-HNNXBMFYSA-N 324.428 3.242 0 40 DGAB C[C@@H](NC(=S)N[C@H]1CCCc2c1cnn2C)c1ccccc1 44137717 QLIWWAJXXVHSNZ-DOMZBBRYSA-N 314.458 3.023 0 40 DGAB C[C@@H]1CCc2c(C(=O)N(C)CCOCC3CC3)csc2C1 79071185 PCDLKQCFRGOHBV-GFCCVEGCSA-N 307.459 3.372 0 40 DGAB CC(C)N(Cc1ccccn1)Cc1nc(Cc2ccccc2)no1 44976187 CVZCLLZEIHOPEL-UHFFFAOYSA-N 322.412 3.466 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)N2CCCc3ccccc32)c1 3361670 UTBVUDXQPZDTCS-UHFFFAOYSA-N 323.392 3.440 0 40 DGAB CN(C(=O)COC(=O)c1ccc(F)cc1Cl)c1ccccc1 3320784 DKBMTPIDSQRKSN-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(S(=O)(=O)CC)cc2)cc1 11380996 XUAJFEKPWLJCLS-UHFFFAOYSA-N 317.410 3.295 0 40 DGAB CCc1ccc([C@@H](C)Nc2nn3c(=O)cc(C)nc3s2)cc1 12886785 DOWDPHQHLBKVIG-LLVKDONJSA-N 314.414 3.195 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)NCC(F)(F)F 12853298 CGGAPDKOYVQWKB-SNVBAGLBSA-N 314.307 3.104 0 40 DGAB N[C@@H]1CC[C@@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 91548956 DFAGGRNUCBTZOP-CHWSQXEVSA-N 320.483 3.466 0 40 DGAB Cc1ccc(NC(=O)COC(=O)[C@]2(C)CC2(Cl)Cl)cc1 3502121 ZBNKELCMEJMWFZ-ZDUSSCGKSA-N 316.184 3.061 0 40 DGAB CC(=O)NC(C)(C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 69593603 LPJLCDZJSGNHRO-UHFFFAOYSA-N 322.714 3.212 0 40 DGAB Cc1nc(CN2CCCC[C@@H]2Cn2cccn2)nc2ccccc12 69631938 WEWQOZFVOHBFCE-MRXNPFEDSA-N 321.428 3.189 0 40 DGAB c1coc(-c2nc(CN3CCC[C@H]3Cn3cccn3)cs2)c1 69741927 LNHDUDKMQSHWBQ-AWEZNQCLSA-N 314.414 3.264 0 40 DGAB Cc1ccc(CNC(=O)N[C@H]2CCSc3ccccc32)n1C 65440523 LVXMFOMJNSUKLA-HNNXBMFYSA-N 315.442 3.370 0 40 DGAB COc1ccc(CC(=O)OCC(=O)c2c[nH]c3ccccc23)cc1 6457683 SZSBABJXWRBGIE-UHFFFAOYSA-N 323.348 3.145 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1)c1ccc(-n2cncn2)cc1 14134652 YOBAGDWOMQPDBF-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB CC(=O)c1ccc(NC(=O)CNc2ccc(F)cc2C)cc1 6543500 LZKMLZIGJJITFW-UHFFFAOYSA-N 300.333 3.387 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc2ccccc2cc1O)c1ccco1 6589359 DMIYJVNBNGPECU-MRXNPFEDSA-N 324.380 3.171 0 40 DGAB CCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)n1 18219304 FDPFHTIXKHWEAM-MRVPVSSYSA-N 310.810 3.140 0 40 DGAB COc1cccc(Cc2nnc(SC[C@@H]3CCCCO3)o2)c1 66257184 ZHMXOPSINNNEKD-AWEZNQCLSA-N 320.414 3.330 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1N 7305324 PWGDGHIHHHNHEC-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2oc3ccccc3c2C)cc1 7597071 VTMPHMVMDIYDPQ-UHFFFAOYSA-N 308.337 3.353 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(F)c(F)c1 7709495 NQCNEVUKFGBOBT-UHFFFAOYSA-N 320.320 3.314 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)cc1 7842967 UTIHNLQUJYQOLB-WMLDXEAASA-N 318.442 3.203 0 40 DGAB CC(C)OCC[C@H]1CCCCN1C(=O)c1c[nH]c(C(C)C)n1 81377985 UXCFFSIYFPYMBB-CQSZACIVSA-N 307.438 3.343 0 40 DGAB CCCOc1cccc(C(=O)Nc2cc(N)ccc2OC)c1 19736234 VYHLVJYDKMHBNN-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB CCc1sc(-c2nnc(CSc3nncn3C)o2)cc1C 9450833 ZAULHRSCINXSOG-UHFFFAOYSA-N 321.431 3.090 0 40 DGAB O=C1[C@H](NCc2cccnc2)CCCN1c1ccccc1Cl 97009644 ABEYOIHZMQUUTD-OAHLLOKOSA-N 315.804 3.020 0 40 DGAB Cc1n[nH]cc1CNCc1ccccc1CN1CCC[C@H](C)C1 71819590 IRYVWNWSUMOQGU-HNNXBMFYSA-N 312.461 3.240 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1 71865722 CKOVMLKANKDVDZ-MRXNPFEDSA-N 322.412 3.368 0 40 DGAB CCc1cccc(N(C#N)Cc2cccc(C(=O)N(C)C)c2)c1 83825619 FRJDWNXSLTYDPK-UHFFFAOYSA-N 307.397 3.438 0 40 DGAB COCCN[C@@H](c1cc(Cl)ccc1Cl)[C@@H]1CCOC1 97036973 GBUNUYVUVSKARC-QMTHXVAHSA-N 304.217 3.307 0 40 DGAB O=C(COCc1ccccc1Cl)Nc1ccc2[nH]ncc2c1 84505932 CIADBRVKBJKZOQ-UHFFFAOYSA-N 315.760 3.372 0 40 DGAB O=S(=O)(Nc1nncs1)c1ccccc1-c1ccccc1 95439257 AOOYUDREDYRHGC-UHFFFAOYSA-N 317.395 3.006 0 40 DGAB CSc1ccc(CNC(=O)N[C@@H]2CCC[C@H]3OCC[C@H]23)cc1 95416106 VBMSIUWXECMJKK-BZUAXINKSA-N 320.458 3.165 0 40 DGAB COc1ccc([C@@H](O)[C@H](C)Nc2ncnc3cccc(C)c23)cc1 95975971 ROKYXDOQJNMMHS-UGSOOPFHSA-N 323.396 3.481 0 40 DGAB COc1cccc(C2=CCN(CC(=O)Nc3ccccc3)CC2)c1 89469696 XVFVJNDMJWSZMP-UHFFFAOYSA-N 322.408 3.423 0 40 DGAB Cc1csc(CCNC(=O)c2ncoc2-c2cccs2)n1 89705555 RWXPECAKDUSYJC-UHFFFAOYSA-N 319.411 3.141 0 40 DGAB Cc1cccnc1CNC(=O)N(Cc1ccccc1)CC(F)F 89700519 MVUOHHMVSNZVDX-UHFFFAOYSA-N 319.355 3.367 0 40 DGAB O=c1oc2ccccc2c(O)c1CN1CCc2ccccc2C1 24102809 GPMHWTNFDCQCRK-UHFFFAOYSA-N 307.349 3.057 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)c(C)c1 36635424 TULFYMYYBKBWAK-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)NCc1cccnc1 31335348 AHLYTBUJQCEWLV-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CC(C)Oc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1 35097927 KUHAWYBPYUOHQP-UHFFFAOYSA-N 309.362 3.414 0 40 DGAB O=C1NCCCC[C@@H]1SCc1ccc(F)c2cccnc12 78555724 MBJQBOFDGNZREW-AWEZNQCLSA-N 304.390 3.276 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(CCC(=O)N(C)C)c1 30766826 LPKNWCBRDDJPEZ-UHFFFAOYSA-N 324.424 3.197 0 40 DGAB COc1ccc(-c2nc3cc(N)cc(C(=O)O)c3o2)cc1Cl 216730042 QDRXHHXKKGPVBZ-UHFFFAOYSA-N 318.716 3.437 0 40 DGAB Cc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1C 217563131 CJZOPPOVLSKODJ-INIZCTEOSA-N 307.401 3.223 0 40 DGAB COc1ccc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)cc1O 72395096 XKZOQUQMZJLWRU-GOEBONIOSA-N 316.401 3.198 0 40 DGAB Cc1cc(NC(=O)CCCc2cn(C)c3ccccc23)nn1C 72405627 IAKCWKQEVFPXBB-UHFFFAOYSA-N 310.401 3.182 0 40 DGAB CC(C)C(=O)NCc1ccc2c(c1)CN(C(=O)OC(C)(C)C)C2 187654645 ICXLVMZMEUVYGM-UHFFFAOYSA-N 318.417 3.210 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)[C@@H]([C@@H]1CC=CCC1)N1CCC1=O 575443133 OZFDAWBXTMFCSM-FZKQIMNGSA-N 323.396 3.064 0 40 DGAB CC(C)(C)[C@@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 75170584 RJONYKRCCHQNBA-LBPRGKRZSA-N 319.323 3.112 0 40 DGAB O=C(/C=C/c1ccccc1Cl)N1CCC2(CC1)OCCCO2 75156634 XLTTZYWHCRAOFR-VOTSOKGWSA-N 321.804 3.109 0 40 DGAB CCCc1nc(NCCc2ccco2)c2c(n1)c(C)nn2CC 226688273 IHAGAGFFKWDMOY-UHFFFAOYSA-N 313.405 3.355 0 40 DGAB S=C(NCc1ccco1)Nc1nccc(-c2cccs2)n1 225185403 RLCJFNWYXBPDLJ-UHFFFAOYSA-N 316.411 3.285 0 40 DGAB O=S(=O)(Cc1nc2ccccc2s1)c1ccc(F)cc1 47618816 WAVVNAOKVYZFER-UHFFFAOYSA-N 307.371 3.409 0 40 DGAB COc1ccc(C(=O)NCc2cccc(C)n2)c(OC(C)C)c1 190389109 ICZRKCXPMWCVPQ-UHFFFAOYSA-N 314.385 3.116 0 40 DGAB COCc1nc(C(=O)N2CC[C@H](C)C[C@H]2c2ccco2)cs1 96441271 PLOVYYXYKIUAJS-AAEUAGOBSA-N 320.414 3.496 0 40 DGAB CC1CCN(C2CCC(N[C@@H]3C[C@@H](C)N(C)C[C@@H]3C)CC2)CC1 90775394 BVJNWHFPUQUQPY-AHHOAKBJSA-N 321.553 3.348 0 40 DGAB COCc1ccc(C(=O)OC[C@H]2CCN(c3ccccc3)C2)o1 96442406 UGLQTVVWSWEMEQ-AWEZNQCLSA-N 315.369 3.109 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1cc(F)cc(N2CCCC2)c1 96434429 QKGFJQIOFQYOAL-OAHLLOKOSA-N 321.396 3.069 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)OCC[C@H]2CCCO2)cc1 96453089 HBRDKEUXYBDBJS-CQSZACIVSA-N 301.342 3.376 0 40 DGAB O=C([C@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOc2ncccc21 96451735 ILWZCVDJEVDYFU-WDEREUQCSA-N 314.307 3.176 0 40 DGAB Cc1ncc(CNC(=O)NC[C@@H](C)Sc2ccccc2)s1 96439572 TWGZVEBCOLZSES-LLVKDONJSA-N 321.471 3.432 0 40 DGAB Cc1nc(CN2CCC[C@H](c3ccnc(N(C)C)c3)C2)cs1 257254958 KFMOHDQZSNKOMM-HNNXBMFYSA-N 316.474 3.292 0 40 DGAB COc1ccc(OCCS[C@H](C(N)=O)c2ccccc2)cc1 50249510 IUXYPICQAIRJCL-INIZCTEOSA-N 317.410 3.034 0 40 DGAB CC(C)c1ccc(OCC(=O)N[C@H]2CCC23CCOCC3)cc1 585406626 CPFPVFJJPDCKMB-KRWDZBQOSA-N 317.429 3.264 0 40 DGAB CC(C)(C)C(=O)N1CCC[C@H](c2ncncc2-c2ccncc2)C1 12117177 QTLJBZPUEXROFV-HNNXBMFYSA-N 324.428 3.291 0 40 DGAB Cn1ccnc1-c1nc(N2CCCC2)ncc1-c1cccc(F)c1 19291584 RAMXLPNLWVTXFC-UHFFFAOYSA-N 323.375 3.283 0 40 DGAB Cc1cccc(OCCCn2cncc2-c2cn(C)nc2C)c1 19719503 YOMSBJKKUQEHAV-UHFFFAOYSA-N 310.401 3.370 0 40 DGAB Cc1ccccc1CNC(=O)c1ccc(CN2CCCC2=O)cc1 19932368 ACYICELCJPTOTQ-UHFFFAOYSA-N 322.408 3.047 0 40 DGAB CCC(CC)[C@@H]1C[C@@H](NC2CCC3(CC2)OCCO3)CCO1 157892556 VAGDTCNDNJCNCF-IRXDYDNUSA-N 311.466 3.246 0 40 DGAB CCCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC 10972131 CSKIOLCORIHNRS-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB COc1ccc2c(c1)C[C@@H](c1cccnc1)N[C@H]2c1ccccn1 19562621 MVHVYOVIEOGFPJ-VQTJNVASSA-N 317.392 3.462 0 40 DGAB CNC(=O)c1c(NC(=O)CCc2ccccc2)sc(C)c1C 5144977 OWPUVIDDNQDTGB-UHFFFAOYSA-N 316.426 3.296 0 40 DGAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccccc1 8862638 QCUGYSIKPIKFDL-MRXNPFEDSA-N 300.427 3.315 0 40 DGAB Cc1ccc(Nc2nnc(-c3cn(C)nn3)s2)c(Cl)c1 1775968171 LPZNMFWOQXQIBM-UHFFFAOYSA-N 306.782 3.039 0 40 DGAB Cc1cc(C(=O)N[C@@H](c2cccnc2)C2CCOCC2)c(C)o1 225616955 BKFGGKFQJOJQKR-QGZVFWFLSA-N 314.385 3.189 0 40 DGAB Cc1csc(C(=O)NCc2cccnc2-c2cccnc2)c1 225641915 SBDLOXSPOIUXDF-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB Cc1ccc(-c2cc(CC3(C(=O)O)CCOCC3)on2)cc1 19212278 PYHIPJRVSOKBRN-UHFFFAOYSA-N 301.342 3.074 0 40 DGAB CC(C(=O)N[C@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 2278764 UCNOMWONTGPGPR-HZPDHXFCSA-N 324.424 3.377 0 40 DGAB C[C@H](CNC(=O)CCc1cccs1)N(C)c1ccccc1 40108014 AXUJGMYRDUKMEQ-CQSZACIVSA-N 302.443 3.322 0 40 DGAB O=c1c(C2OCC3(CO2)C[C@H]2C=C[C@H]3C2)coc2ccccc12 100220316 RUCWEYBMCQHPJC-IJKBLAIYSA-N 310.349 3.421 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)c1 241590 IEJUHGCAGSFGQE-AWEZNQCLSA-N 314.410 3.300 0 40 DGAB O=C(NCc1nnc(-c2ccccc2)s1)[C@@H]1C[C@H]2C=C[C@H]1C2 101643073 QPCPWXWEWQPNQD-FPMFFAJLSA-N 311.410 3.034 0 40 DGAB CC(C)Oc1ccc(NC(=O)N(C)Cc2cnn(C)c2)c(F)c1 52267414 HAZCEWYKMXSHNT-UHFFFAOYSA-N 320.368 3.010 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Cl 3507168 DIPJKMDKCPCACH-RISCZKNCSA-N 309.793 3.192 0 40 DGAB CC(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 486236 RPDSJMGTMYGAKT-IBGZPJMESA-N 309.365 3.223 0 40 DGAB biogenic CN(Cc1ccco1)S(=O)(=O)c1ccc2ccccc2c1 7305327 DFFBCXHGTRRXNW-UHFFFAOYSA-N 301.367 3.254 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1sccc1C)c1ccc(F)cc1 52868696 YXXMWMRLELEYAT-CYBMUJFWSA-N 321.373 3.230 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2C)cc1 8372240 LNEZPMWEPPGDIH-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC(=O)c1cn(CC(=O)N2CCc3ccccc32)c2ccccc12 555301 OCGQAEFNTPUWEO-UHFFFAOYSA-N 318.376 3.433 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCN1C(=O)c2ccccc2[C@H]31 525693 DWHIPRRZWKTEEK-GOSISDBHSA-N 304.349 3.278 0 40 DGAB biogenic C[C@@H](NC(=O)c1cc(-c2cccc(F)c2)no1)c1ccncc1 46810245 UIGUESUCUVEIMC-LLVKDONJSA-N 311.316 3.367 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc(F)c(F)c1 22595852 VTJXPVPGQPAIGU-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(SC(F)F)cc1 42535847 KFMLUDAJHNRQTH-JTQLQIEISA-N 311.357 3.016 0 40 DGAB C[C@@H](NC(=O)[C@@H](C)N(C)Cc1ccco1)c1ccc(F)cc1 24972899 FWLWQXPGHRSKJB-CHWSQXEVSA-N 304.365 3.116 0 40 DGAB COc1ccc(OC)c(CNCc2cnn(-c3ccccc3)c2)c1 25072982 ZINMMQQGWKHRDW-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB CC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2C(=O)Nc1cccc(C)c1 100426169 OBDKWGNBNXRSAF-IRXDYDNUSA-N 315.417 3.049 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COc1cccc(-c2cn[nH]c2)c1 58279275 FHVNNYYOQVSBLT-SUMWQHHRSA-N 313.401 3.150 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@@H]1CCCO1 44910440 HLSKJVRIIXVMRU-ONGXEEELSA-N 302.827 3.110 0 40 DGAB COc1ccc(CNc2ncnc3sccc23)cc1OC 3340860 YXYGDMMEZDEEIS-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB O=C(NCCSc1ccccc1)c1cc2ccccc2c(=O)[nH]1 12766167 RNHUBLADNWFZNT-UHFFFAOYSA-N 324.405 3.050 0 40 DGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NC(C)C)c12 45872872 HAILIPJLYSZHHI-UHFFFAOYSA-N 308.385 3.082 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC[C@@H]1c1cccnc1 29287291 SLPYWLBSAOLUHX-GOSISDBHSA-N 318.380 3.449 0 40 DGAB CN(Cc1ccc2ccccc2c1)S(=O)(=O)N1CCCCC1 12814170 OOCLTPSRKXMWHJ-UHFFFAOYSA-N 318.442 3.002 0 40 DGAB CC(C)c1cccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c1 12924509 SFWIUMIKPZKIQH-RHSMWYFYSA-N 318.442 3.203 0 40 DGAB COC(=O)c1c(Cl)c(C)nc2cc(-c3ccccc3)nn12 13645596 ONCDNUAKDVIYHR-UHFFFAOYSA-N 301.733 3.145 0 40 DGAB CC1(C)[C@@H](c2nc3c4ccccc4ncn3n2)CC[C@]1(C)C(=O)O 6085706 HVTWIDRZXOVYOX-KZULUSFZSA-N 324.384 3.272 0 40 DGAB CCc1noc(CNc2ccc(C(=O)N[C@@H](C)CC)cc2C)n1 65566483 WSUNGHRLFRJBBV-LBPRGKRZSA-N 316.405 3.081 0 40 DGAB CCOCCn1cnc2sc(-c3ccccc3)c(C)c2c1=O 14198313 PNRFQAVCWZDAAX-UHFFFAOYSA-N 314.410 3.470 0 40 DGAB Cc1ccc(C)c(C(=O)Cn2cc(Br)ccc2=O)c1 6507675 KQZAQDACRCRLPD-UHFFFAOYSA-N 320.186 3.111 0 40 DGAB CC(=O)N1C[C@@H](C(=O)Nc2ccc(C)c(C)c2)Oc2ccccc21 15525127 XXJXVYPXVNAZHW-SFHVURJKSA-N 324.380 3.056 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1ccc(F)c(F)c1 7405051 MCWUGVYAPIBGAQ-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB CC(C)(C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 7785829 NZQZBXGGVOKZLV-AATRIKPKSA-N 309.793 3.429 0 40 DGAB NC(=O)c1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cc1 7769860 YQNBJHLGOUOESC-UHFFFAOYSA-N 314.772 3.109 0 40 DGAB COc1ccc(OC)c(CN(Cc2ccon2)C(C)(C)C)c1 84169978 UEIBUEIYPOKDDM-UHFFFAOYSA-N 304.390 3.493 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2[C@@H](C)O)nn1C(C)(C)C 97046319 CPZBCUHOZRDTDL-GFCCVEGCSA-N 301.390 3.252 0 40 DGAB CC(C)c1nsc(N2CCC(c3nncn3C(C)C)CC2)n1 97047843 JGQTZRPFRXXQQT-UHFFFAOYSA-N 320.466 3.218 0 40 DGAB O=C(c1cc[nH]n1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086540 LYPUIQXNRXBHJU-NSHDSACASA-N 309.291 3.058 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)c3sccc3C3CC3)C2)no1 72232265 LVPIMMYPTPRJCB-GFCCVEGCSA-N 317.414 3.337 0 40 DGAB O=C([C@H](Nc1ccc2c(c1)OCO2)c1ccccc1)N1CCCC1 9549586 CQTYYGXBWCOZMA-GOSISDBHSA-N 324.380 3.191 0 40 DGAB COCCN(C)C(=O)N[C@H](C)c1oc2ccc(OC)cc2c1C 71882576 VCAUCGPFOKGDGT-GFCCVEGCSA-N 320.389 3.099 0 40 DGAB Cc1cc([C@@H](NC(=O)[C@H](C)n2cncn2)C(C)C)c(C)s1 71903618 LSGYOYFZOCPFGY-FZMZJTMJSA-N 306.435 3.031 0 40 DGAB O=C1COc2cc(NCc3coc(-c4ccccc4)n3)ccc2N1 97113752 MIFJVAUMUJGFJD-UHFFFAOYSA-N 321.336 3.285 0 40 DGAB CC(C)n1ncc2cc(CNc3nnc(C(C)(C)C)o3)cnc21 97114478 MZMNIHHBHYYIOA-UHFFFAOYSA-N 314.393 3.305 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2ccc[nH]2)c2c(C)noc2n1 84083183 SDXMKTTUTXYMJQ-CQSZACIVSA-N 310.357 3.145 0 40 DGAB COC(=O)CCCC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 97141992 FBBRUNXSBBYSCH-SWLSCSKDSA-N 307.365 3.079 0 40 DGAB C[C@H](C(=O)N[C@H]1CCC[C@@]1(C)CO)c1ccc(Cl)s1 95427212 WJAWDZDOAVVOSH-CHIMOYNISA-N 301.839 3.172 0 40 DGAB FC(F)(F)c1ccnc(N[C@@H]2CCOC3(CCCC3)C2)n1 98020512 KUENUWLGXHBKJV-SNVBAGLBSA-N 301.312 3.399 0 40 DGAB Cc1cccc(NC2=NCC(=O)N2Cc2ccc(F)cc2)c1C 20143102 OGNHYENMKCTVNZ-UHFFFAOYSA-N 311.360 3.253 0 40 DGAB Cc1ccc(-c2cnc(Cn3c(=O)oc4cccnc43)o2)cc1 95966019 RGJOUJQFCKSTCO-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB Cc1cc(CN2CCN(c3ccc(F)cc3)CC2)c(C)cc1O 95996984 YTXXJMJURGPHGI-UHFFFAOYSA-N 314.404 3.470 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1n[nH]c2ccccc12 9918909 ZLADJAGYOMTJJG-UHFFFAOYSA-N 309.369 3.152 0 40 DGAB CCOc1ccc([C@@H]2NC[C@@H](C(=O)O)S2)c2ccccc12 408976219 DYNIQWMXJYZOPO-LSDHHAIUSA-N 303.383 3.027 0 40 DGAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCOC 22511479 AWUVNVVAGGYGTM-QGZVFWFLSA-N 301.386 3.150 0 40 DGAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNCc1ccccc1 34857199 ACHBDMGVFUMPMQ-WJDWOHSUSA-N 324.405 3.470 0 40 DGAB COCCNC(=S)c1cccc(OCc2ccccc2)c1 408578589 ZBWXXGAMSLGYFX-UHFFFAOYSA-N 301.411 3.177 0 40 DGAB C[C@@H]1CCN(CCOc2ccc(NC(=O)N(C)C3CC3)cc2)C1 72565852 HWTJFTKLJFJKNQ-CQSZACIVSA-N 317.433 3.033 0 40 DGAB Cc1c(Cl)cc(NC(=O)[C@@H]2CCCC(=O)N2C)cc1Cl 1570000002 QZDPEBKQKTZROX-LBPRGKRZSA-N 315.200 3.251 0 40 DGAB Cc1nc(S[C@@H](C)c2nnnn2C)n(C2CCCCC2)c1C 188840890 UGHDFCDTBZHNDX-LBPRGKRZSA-N 320.466 3.382 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 32609805 RLKUFVLKWBNQAH-SECBINFHSA-N 305.280 3.185 0 40 DGAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)c(C)o1 79310458 SDUWDELOKXWASA-OAHLLOKOSA-N 300.358 3.117 0 40 DGAB CC(C)c1nnc2sc(-c3ccc(-n4cccn4)cc3)nn12 36367326 VZOVBQINEJDXOD-UHFFFAOYSA-N 310.386 3.162 0 40 DGAB Cc1cccc(CN2CCCC[C@H]3CN(c4ncccn4)C[C@H]32)c1 72330682 XYGOFIJLVCWYAF-RBUKOAKNSA-N 322.456 3.276 0 40 DGAB C[C@H](c1ccccn1)N(C(=O)c1ccc2c(c1)COCO2)C1CC1 73019048 ABPNEUKOBIZWFN-CYBMUJFWSA-N 324.380 3.314 0 40 DGAB CCOC(=O)[C@@H](C)Sc1nc(C2CC2)n(-c2ccccc2)n1 72046840 JBDQAQGHIOAXPI-LLVKDONJSA-N 317.414 3.188 0 40 DGAB C[C@@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@H](c2ccco2)C1 72905408 GAPCGJSCALIEHM-ZBFHGGJFSA-N 323.396 3.261 0 40 DGAB C[C@@](O)(CNC(=O)c1ccc(Cl)s1)c1cccs1 75155855 UUYNAWNIMGHTDD-GFCCVEGCSA-N 301.820 3.101 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)n1C 222822045 FIXCHPPIGKONEV-HZPDHXFCSA-N 314.458 3.109 0 40 DGAB O=C(c1ccc(CN2CCOCC2)cc1)c1ccc(F)cc1F 43210867 SVCAORHLOSOIMM-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB CC[C@@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343808 GYNOORPTNAEXOA-BPUTZDHNSA-N 303.402 3.187 0 40 DGAB Cc1cccc(OCC(=O)N2C[C@H](C)Oc3ccccc32)c1C 41155764 QGCUMIJVAZZTQU-AWEZNQCLSA-N 311.381 3.496 0 40 DGAB Cc1nn(-c2ccccc2)c(N)c1[C@@H]1OC(=O)c2ccccc21 226745939 XXHPMJBFZMPYTN-MRXNPFEDSA-N 305.337 3.023 0 40 DGAB CCN(CC)C(=O)[C@H](c1ccccc1)[S@@](=O)c1ccoc1C 194638193 LHEKIRLPNSCVGK-AOMKIAJQSA-N 319.426 3.305 0 40 DGAB CC[C@@H](C)[C@](C)(O)CNC(=O)c1c(C)noc1-c1ccccc1 97378178 LXVBWZYMPLCGCP-KZULUSFZSA-N 316.401 3.177 0 40 DGAB COCC(C)(C)CC(=O)N1CCCc2cc(OC)ccc2C1 583308648 MFEMYWSSARVXRF-UHFFFAOYSA-N 305.418 3.033 0 40 DGAB O=C1[C@@H](Sc2cccc(Cl)c2)CCN1C1CCOCC1 96447733 ANQOFSOEBWNQEO-AWEZNQCLSA-N 311.834 3.212 0 40 DGAB CC(=O)N1CCC[C@H](c2cccc(-c3ccccc3C(=O)O)n2)C1 257246315 ITOQPCMSMMTCMU-AWEZNQCLSA-N 324.380 3.173 0 40 DGAB c1cc2nccc(C[C@H]3CCCN(Cc4c[nH]cn4)CC3)c2cn1 257284327 PCGAVQKMWGZVQD-HNNXBMFYSA-N 321.428 3.198 0 40 DGAB CCc1ccc2occ(C(=O)NC3CCC(C(=O)O)CC3)c2c1 263147213 NFZDPCYHQRHQQF-UHFFFAOYSA-N 315.369 3.368 0 40 DGAB COc1ccc(Nc2nc(S)nc3ccccc23)cc1OC 575617019 VEWZWYCJPCDYGO-UHFFFAOYSA-N 313.382 3.679 0 40 DGAB CC1(C)CCCC[C@@H]1NC(=O)c1ccnc(NC(=O)C2CC2)c1 552073174 SXNUDBCTVOBLGO-AWEZNQCLSA-N 315.417 3.129 0 40 DGAB COC(=O)c1sccc1CN1CCC(C(F)(F)F)CC1 88536687 ODFIIOLAIIDGDX-UHFFFAOYSA-N 307.337 3.309 0 40 DGAB CCOc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1OCC 5001190 FYGJJTBEBZROCJ-GOSISDBHSA-N 313.353 3.305 0 40 DGAB O=C1C[C@H](NC2CCCCC2)C(=O)N1c1ccc2ccccc2c1 5179283 VIROFOOHJVPMMH-SFHVURJKSA-N 322.408 3.394 0 40 DGAB CCCNC(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 15481529 WLAMJXDZSGSEPW-WHCAJBEMSA-N 300.240 3.247 0 40 DGAB CCN(CC)c1ccc(C(=S)N2C[C@H](C)O[C@H](C)C2)cc1 17835697 XPNUOAJHDARRLN-OKILXGFUSA-N 306.475 3.318 0 40 DGAB Cc1cnn(CC(=O)N[C@@H](C)c2cc3cc(Cl)ccc3o2)c1 19239926 CMVLHETUFYDABC-NSHDSACASA-N 317.776 3.469 0 40 DGAB CCCN1CC[C@@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19738927 LNISOGMBVWCKET-CYBMUJFWSA-N 303.381 3.327 0 40 DGAB O=C(Nc1cc(Cl)nc(Cl)c1)NN1CCCCCC1 162897 YJZBKBHGXVPUPA-UHFFFAOYSA-N 303.193 3.301 0 40 DGAB O=C1c2cccc3cccc(c23)N1S(=O)(=O)c1cccs1 3184835 CINMBNBDORDRQI-UHFFFAOYSA-N 315.375 3.250 0 40 DGAB Fc1ccc(N2CCN(c3nsc4ccccc34)CC2)nc1 1889184584 HUYOFNJHZSYRGF-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB COc1ccccc1CNc1nccn(-c2ccc(C)cc2)c1=O 15732385 JXDHBGOSNGVSNM-UHFFFAOYSA-N 321.380 3.162 0 40 DGAB COc1ccc(OC)c(CNC(=O)C(C)(C)c2ccccc2)c1 27503785 USUDFBKAXQPEIY-UHFFFAOYSA-N 313.397 3.298 0 40 DGAB O=C(CCCc1ccccc1)NCCc1cn2ccccc2n1 2960878 XPZNTDGFCCVDHH-UHFFFAOYSA-N 307.397 3.016 0 40 DGAB O=C(NC1CCC(F)(F)CC1)c1cc(-c2cccnc2)on1 341727428 HGYIOWPEPQJTAQ-UHFFFAOYSA-N 307.300 3.044 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)CCSc1ccccc1 75155237 DMYUKESRTXLNMV-AWEZNQCLSA-N 321.467 3.389 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@H]2c2ccc(Cl)cc2)cn1 30367374 JRFGUTDIJIPIBS-HNNXBMFYSA-N 301.777 3.416 0 40 DGAB CC(C)COc1ccc(C(=O)N2CCOc3ccccc32)cn1 40141941 ARQHLESTNXTDLG-UHFFFAOYSA-N 312.369 3.156 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)no1 40494006 MQPWTGIYWADYEV-JTQLQIEISA-N 303.362 3.311 0 40 DGAB C[C@@H](C(=O)NC1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 46054968 KBYPPOAXDUUNRJ-YWZLYKJASA-N 320.436 3.301 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 46178508 YVFYQHOSIDQSNS-XJKSGUPXSA-N 313.401 3.186 0 40 DGAB COc1ccc2nc3c(c(NCCCN(C)C)c2c1)CCCC3 1591912 UQFIXYPIRPFPPL-UHFFFAOYSA-N 313.445 3.486 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nc2ccccc2s1 69667082 FTDUCEJNYJDIGR-LSDHHAIUSA-N 315.442 3.276 0 40 DGAB Cc1cccc(OCCNC(=O)N[C@H]2CCCc3occc32)c1 32803514 IOEIXGZCCYTLTE-INIZCTEOSA-N 314.385 3.344 0 40 DGAB CCOc1ccccc1OS(=O)(=O)c1ccc(F)cc1C 32906676 BJLHFOGEOAYGSG-UHFFFAOYSA-N 310.346 3.301 0 40 DGAB COc1cc(/C=C2/C(=O)Nc3ccccc32)cc(OC)c1OC 574894 FHTCRVQNMFJGLM-MDWZMJQESA-N 311.337 3.205 0 40 DGAB CC(C)CC(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 512964 VZJKURFQNDFPBW-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB Cc1ccc(C)c(CSc2nnc(-c3ccco3)n2N)c1 526691 ZOKJTBOMNGKFGD-UHFFFAOYSA-N 300.387 3.161 0 40 DGAB CON(C)C(=O)c1cc(C2CC2)nc2onc(CC(C)(C)C)c12 47048231 NGTXADIYPXOEOS-UHFFFAOYSA-N 317.389 3.322 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](Sc1ncccc1C(=O)O)C2=O 100951074 KLGUXBXVONFYAQ-IETSOEAISA-N 305.399 3.266 0 40 DGAB COCc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1 792539 NUWVCIDVGNNBQY-UHFFFAOYSA-N 318.185 3.244 0 40 DGAB O=C(Nc1ncccc1O)c1ccc(OCc2cccnc2)cc1 23114452 MWMAUBHKCGESSV-UHFFFAOYSA-N 321.336 3.014 0 40 DGAB Cc1ccccc1N1CCN(Cc2noc3c2CCCC3)CC1 108850778 NQIVYDSXQYDUPG-UHFFFAOYSA-N 311.429 3.184 0 40 DGAB COc1cccc(CC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 24864690 KKJBNIQWNRJJGW-QWHCGFSZSA-N 315.335 3.475 0 40 DGAB NC(=O)[C@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 1385422 JVFWLCIVAGKGRU-LLVKDONJSA-N 314.694 3.371 0 40 DGAB Cc1ccccc1C(=O)O[C@H]1CCS(=O)(=O)c2sccc21 1394002 QAAXTELFALZOCM-ZDUSSCGKSA-N 322.407 3.132 0 40 DGAB CN(C(=O)c1ccc(O)c(Cl)c1)C1Cc2ccccc2C1 55626939 LIMBWSPQEPYOGI-UHFFFAOYSA-N 301.773 3.285 0 40 DGAB CCNC(=O)CN(CC)C(=O)c1sc2ccccc2c1Cl 57024748 YILMPVJXLUXECQ-UHFFFAOYSA-N 324.833 3.153 0 40 DGAB c1cncc(CN[C@@H]2CCCc3nc(-c4cccnc4)ncc32)c1 55061140 QMXSTGQHMWHEHL-QGZVFWFLSA-N 317.396 3.101 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 1993315 XVSWMVBPPQKFKD-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 27337788 CJOCLGLFQVDCOZ-ZFWWWQNUSA-N 310.397 3.107 0 40 DGAB Cc1cnn(C2CCN(C(=O)Nc3cccc(F)c3)CC2)c1 69703229 WEFVHWCPWGHWFU-UHFFFAOYSA-N 302.353 3.200 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)CCc3cccs3)cc2NC1=O 10031638 SGMCJNIAEOYMKA-JTQLQIEISA-N 316.382 3.039 0 40 DGAB Cc1[nH]c2nc(C3CCCCC3)nn2c(=O)c1Cc1ccccc1 100486557 KTAPOLLDTLQFBK-UHFFFAOYSA-N 322.412 3.365 0 40 DGAB CCCCn1nccc1NC(=O)[C@@H]1Cc2ccccc2S1 58178917 FWISOLLIJJIYJJ-AWEZNQCLSA-N 301.415 3.339 0 40 DGAB COc1ccccc1C(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 3357051 DMJDGKMBAWVFIJ-CYBMUJFWSA-N 317.168 3.005 0 40 DGAB COc1cccc(C(=O)Nc2cc(C(C)(C)C)on2)c1OC 27925232 VYSYNSAYAGTHEI-UHFFFAOYSA-N 304.346 3.242 0 40 DGAB Cn1cc(C(=O)Nc2nc(-c3ccc4c(c3)CCC4)cs2)cn1 10552078 DBRHDXTUBPAJNM-UHFFFAOYSA-N 324.409 3.285 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@H]3CCc4ccccc43)cc12 11173294 BWBMMRBUNIYEKU-AWEZNQCLSA-N 311.410 3.361 0 40 DGAB COc1ccc(-n2nnnc2SCc2ccc(C)cc2)cc1 3500802 MGXFECXXIJDFBW-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 12926943 GCKXHQPQIPOMBE-UHFFFAOYSA-N 308.381 3.059 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1cc2ccccc2[nH]1 12941983 XIFKEQNEQPVOKY-KRWDZBQOSA-N 323.396 3.328 0 40 DGAB O=C(Nc1ccc(OC(=O)[C@@H]2CCCO2)cc1)c1ccsc1 69898739 NAXIMUZAIXXBRP-AWEZNQCLSA-N 317.366 3.085 0 40 DGAB C[C@H](c1ccncc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1 69847209 JEEXKXGUBKZAFD-WBVHZDCISA-N 309.413 3.493 0 40 DGAB C[C@H](N[C@H](C)[C@@H](C)n1cccn1)c1nnc(-c2cccs2)o1 69974085 LWSZXDTYQYYYLZ-GRYCIOLGSA-N 317.418 3.295 0 40 DGAB C[C@H]1CCCN(C(C)(C)CNC(=O)/C=C/c2cccs2)C1 64820936 BPJRSIRSQXWTMM-VFNNOXKTSA-N 306.475 3.388 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1ccc(Cl)nc1 18996236 RZTVYTCORDTIPE-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB O=C1CN(C(=O)c2ccc(OCC3CC3)cc2)c2ccccc2N1 65492634 ZFRZWFIGXGLCSU-UHFFFAOYSA-N 322.364 3.074 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc(F)c(F)c1 14164467 JIQQFTFSONOILW-PSLIRLAXSA-N 305.280 3.132 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)N2CCSCC2)cc1 6656473 CFPSEPHQAVWCAR-UHFFFAOYSA-N 322.430 3.224 0 40 DGAB CNC(=O)[C@@H]1CN(Cc2ccc(C(C)C)cc2)c2ccccc2O1 7254398 DSRYHAMWHXILRH-IBGZPJMESA-N 324.424 3.324 0 40 DGAB O=c1cc(CNc2ccccc2)nc2sc3c(n12)CCCC3 7363355 ZBLOSVLPCCFXFG-UHFFFAOYSA-N 311.410 3.247 0 40 DGAB CC(C)c1ccc2c(c1)[C@H](NC[C@H]1CCS(=O)(=O)C1)CCC2 90401302 PSZNKNJIHCCLST-RDTXWAMCSA-N 321.486 3.212 0 40 DGAB O=C(Nc1c[nH]nc1-c1ccccn1)N[C@H]1CCCc2occc21 93329859 FHCRVSXNBLAOFJ-LBPRGKRZSA-N 323.356 3.264 0 40 DGAB Cc1nc(-c2ccccc2)sc1NC(=O)N(C)CCN(C)C 96010720 POADLQQDUVLMIW-UHFFFAOYSA-N 318.446 3.144 0 40 DGAB O=C(O)CSc1nc(-c2ccccc2)nc2c1SCCC2 9306373 JPRKAAVZEVNBAR-UHFFFAOYSA-N 318.423 3.359 0 40 DGAB CNCCCNCc1cccc(OCc2ccc(F)cc2)c1 8377183 QRDHGEFXDJQWPD-UHFFFAOYSA-N 302.393 3.104 0 40 DGAB O=C(Nc1ccccn1)c1cnn(Cc2ccccc2Cl)c1 9338921 WJAFZWMUYNBSLZ-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB O=C(Cc1cc(Cl)ccc1Cl)NCCc1ccccn1 69488807 QANCHTWAMNZCDT-UHFFFAOYSA-N 309.196 3.290 0 40 DGAB COc1ccc([C@H]2SCC(=O)N2c2ncc(C)s2)cc1 17198029 JIWGHYZZKNXJLH-CYBMUJFWSA-N 306.412 3.239 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccco1 71886313 KGZWTKZXJRSIGF-LBPRGKRZSA-N 305.305 3.229 0 40 DGAB Cn1cnnc1SCc1ccc(OCC(F)(F)F)cc1 71817107 ASTQJGSNSKHWOD-UHFFFAOYSA-N 303.309 3.049 0 40 DGAB C[C@H](O)C[C@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 79104852 VVMFUTWHXLGZJY-SWLSCSKDSA-N 319.351 3.249 0 40 DGAB COC(=O)c1ccc(Cl)c(CN(C)Cc2cc(C)on2)c1 97080381 GFSLLKDDJYBKTO-UHFFFAOYSA-N 308.765 3.055 0 40 DGAB CC(C)(C)c1cnc(SCC(=O)Nc2ccccc2O)o1 97081167 HRFOKLGLFDBHTI-UHFFFAOYSA-N 306.387 3.409 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O 72273631 UTLPYOHMFNWAPG-ZFWWWQNUSA-N 318.442 3.137 0 40 DGAB COCCCC(=O)O[C@@H]1C[C@@H](OCc2ccccc2)C1(C)C 95467949 DFYNYPJOFNIQJK-HZPDHXFCSA-N 306.402 3.340 0 40 DGAB c1ccc(CCCc2nnc(SC[C@@H]3CCOCO3)o2)cc1 95403432 QWYHZVKFHSPGIL-AWEZNQCLSA-N 320.414 3.100 0 40 DGAB Cc1ccc2c(CC(=O)NC[C@H]3CCO[C@H](C)C3)coc2c1 95457833 PXZUSPUYRPUXEL-KGLIPLIRSA-N 301.386 3.215 0 40 DGAB CC(C)(CN[C@@H]1CCCN(c2cccnn2)C1)c1ccccc1 95460052 RNKRTKVTHAQCHS-QGZVFWFLSA-N 310.445 3.013 0 40 DGAB Cc1ccc2cccc(OC[C@@H](O)COCc3ccco3)c2n1 95439034 GJBSJUZNWOQZJG-HNNXBMFYSA-N 313.353 3.093 0 40 DGAB CCOc1cccc2cc([C@H](C)NC[C@@]3(O)CCSC3)oc12 95987979 USNLNJRCEHFWJM-SJCJKPOMSA-N 321.442 3.350 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(CC)cc2)[C@@H](CC)C1 89284870 OTSJTBKSSPNTIM-ZWKOTPCHSA-N 302.462 3.376 0 40 DGAB Cc1cnc([C@@H](NC(=O)[C@@H](C)c2c(C)noc2C)C2CC2)s1 75147755 OFXODUAZERJZRT-XPTSAGLGSA-N 319.430 3.427 0 40 DGAB NC(=O)c1csc(C(=O)N2CCC3(CCCCC3)CC2)c1 89764660 NRIWDEFHRMNLHK-UHFFFAOYSA-N 306.431 3.034 0 40 DGAB O=S1(=O)CCc2nc3ccccc3c(-c3ccccc3)c2C1 89851093 AXLKHEUSGDVODR-UHFFFAOYSA-N 309.390 3.373 0 40 DGAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@@H](C)c1cccs1 75400744 JEKOVAFCFLISSA-JTQLQIEISA-N 324.475 3.045 0 40 DGAB CCOc1ccc2ccccc2c1[C@H]1NC[C@H](C(=O)O)S1 408980813 XWWXQKFSXGYAHM-HIFRSBDPSA-N 303.383 3.027 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 20486054 ZLFVIPQFDBFLMD-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB C[C@H](N[C@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCCCC1 69381986 QHTXAIRQYMWABB-AVGNSLFASA-N 306.372 3.098 0 40 DGAB CCNc1cc(C)ccc1NC(=O)c1ccc(CN(C)C)o1 1556177946 ACFVUIGBEPSFJZ-UHFFFAOYSA-N 301.390 3.334 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CN1CC[C@@H](C)[C@@H](C)C1 501775665 MHPQCKFVTCRTHT-RDBSUJKOSA-N 324.415 3.462 0 40 DGAB CC1(C)[C@@H](NCCn2cnnc2C2CC2)C[C@@H]1c1ccccc1 123530460 GLARDDHVCWTSKI-SJORKVTESA-N 310.445 3.327 0 40 DGAB COc1ccc2cc(C(=O)N3CCc4ccc(O)cc4C3)[nH]c2c1 79998299 WMLYGVGLZXFFMV-UHFFFAOYSA-N 322.364 3.081 0 40 DGAB Cc1ccc(CN(CCCn2ccnc2)Cc2ccccn2)o1 36740251 OUKLDDMBUDKENB-UHFFFAOYSA-N 310.401 3.272 0 40 DGAB Cc1ccccc1NC(=O)Cn1c(=O)cc(C)c2ccccc21 32530290 UHDDNIUKIYJZMC-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)CCc2ccco2)cc1OC 74610396 VKGZATQOKVBBDD-LLVKDONJSA-N 321.348 3.246 0 40 DGAB COc1cccc(F)c1NC(=O)N[C@@H](C)c1cccc(O)c1 186260477 OZKKKWAVHICHSI-JTQLQIEISA-N 304.321 3.423 0 40 DGAB Cc1nc2ccccc2n1Cc1nc(O)c2cc(F)ccc2n1 562852393 YNUBNTPNYOAGMY-UHFFFAOYSA-N 308.316 3.181 0 40 DGAB CCN(CCCNC(=O)[C@H]1Cc2ccccc2O1)c1ccccc1 40017235 NKRMDHUTLRLAOT-LJQANCHMSA-N 324.424 3.023 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1C 44630567 POEBMOJKOYGASF-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc2c[nH]nc2c1 192863399 GOLRDCWXDONFEC-UHFFFAOYSA-N 319.368 3.401 0 40 DGAB CCc1nnc(CN[C@H]2CCCC[C@@H]2Oc2ccccc2C)o1 195570294 XQRCHZITFCECNO-HOCLYGCPSA-N 315.417 3.420 0 40 DGAB Cc1cn2c(n1)CC[C@@H](NC(=O)CCc1cc3ccccc3o1)C2 97198710 PHMWFYNSOCBYJT-OAHLLOKOSA-N 323.396 3.002 0 40 DGAB Cc1ncc([C@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 90449926 OZYFYKGFYWFBJI-GXTWGEPZSA-N 322.416 3.086 0 40 DGAB CCN(C(=O)CC(C)(C)CC(=O)O)c1ccc2[nH]ccc2c1 585086748 HWUKHDABBPVQDR-UHFFFAOYSA-N 302.374 3.412 0 40 DGAB Cn1cc(CN2CCC[C@@H](c3ccncn3)C2)c2cc(F)ccc21 257216033 CSURNDWXUXWRNY-CQSZACIVSA-N 324.403 3.487 0 40 DGAB O=C(Nc1nncs1)NC1CCC(c2ccccc2)CC1 43128951 DGPQCUHHKLSWPN-UHFFFAOYSA-N 302.403 3.386 0 40 DGAB C[C@@]12CCN(C(=O)c3ccc4ncccc4c3)[C@@H]1CC[C@@H](O)C2 257205009 AXFKOOBPWDQLJY-SUMDDJOVSA-N 310.397 3.000 0 40 DGAB Cc1nccc([C@@H]2CCCN2C(=O)c2cc(F)ccc2F)n1 257227523 FPTMDOJKSJXKFH-HNNXBMFYSA-N 303.312 3.041 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@H]32)s1 47644152 YGXZBZCDPLUGTC-NWDGAFQWSA-N 307.415 3.330 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2cccc(-n3cccn3)c2)cn1 49758194 KWBIWGXLXMLRKK-UHFFFAOYSA-N 322.368 3.307 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)cc1)c1c[nH]nc1-c1ccco1 1540699718 NPIWLTHRKSZHJZ-UHFFFAOYSA-N 319.324 3.108 0 40 DGAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1ccc(Cl)s1 74343546 XLMBDVHPUDIUDW-UHFFFAOYSA-N 321.707 3.465 0 40 DGAB Cc1ccsc1CN(Cc1nc2ccccc2[nH]1)C[C@H](C)O 12143702 NUGSTOWWQBHDMZ-ZDUSSCGKSA-N 315.442 3.316 0 40 DGAB Cc1ccc2c(CC(=O)N(C)CCN3CCCCC3)coc2c1 12346164 LDLHOJGYUZVNNQ-UHFFFAOYSA-N 314.429 3.228 0 40 DGAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(C(C)C)c1C 12372580 VZPUOHFADBLJGK-UHFFFAOYSA-N 310.394 3.240 0 40 DGAB Cc1nn(C)cc1-c1cncn1[C@@H](CCN(C)C)c1ccccc1 19719506 XUJJFLCJYCEQEV-SFHVURJKSA-N 323.444 3.133 0 40 DGAB CCCCc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1 102332505 UCFCHNXVMUNHTQ-DIECFANBSA-N 313.397 3.491 0 40 DGAB Cc1ccc(N2C[C@H](CNC(=O)CC3CCCC3)CC2=O)cc1 8985200 WSKSYGYHKBNBAA-INIZCTEOSA-N 314.429 3.044 0 40 DGAB O=C(O)c1csc(NC(=O)c2ccnn2C2CCCC2)c1 567429825 RQCKZNZSHVZNCK-UHFFFAOYSA-N 305.359 3.010 0 40 DGAB FC(F)(F)c1ccc(N2CCC(c3cnccn3)CC2)nc1 376480478 PMYABPSMGPLZDJ-UHFFFAOYSA-N 308.307 3.274 0 40 DGAB O=C(Nc1nc(-c2ccccn2)cs1)c1cc(C2CC2)ncn1 1888879594 VQNZDWFXMZMILP-UHFFFAOYSA-N 323.381 3.125 0 40 DGAB CSc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1 1889175183 NPGVOCUTVWSTEJ-UHFFFAOYSA-N 316.455 3.351 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)Nc1nc2ccccc2s1 31664753 RBSPNTPOGASMEZ-SSDOTTSWSA-N 304.293 3.202 0 40 DGAB O[C@@H](CNC1CCCC1)COCC12CC3CC(CC(C3)C1)C2 5188583 XRIXXQPMSKSNJD-ZJIILYSQSA-N 307.478 3.113 0 40 DGAB COc1ccc(C(=O)Nc2nc(-c3ccccn3)cs2)cc1 6919863 IIARRAXFKHAOSL-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)Cc3cccc(C)c3)ccc21 17288864 KXDFCADHNVRQCK-UHFFFAOYSA-N 308.381 3.085 0 40 DGAB Clc1ncc(CN2CCN(Cc3ccccc3)CC2)s1 20218592 RYTHCWZATUZYKK-UHFFFAOYSA-N 307.850 3.114 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@H](C)c3ccccc3)nn2)cc1 32477400 IQIDUEMTDKGGRW-CQSZACIVSA-N 306.369 3.067 0 40 DGAB CCN(C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 45909622 PJUCNVSUEQAONZ-ZDUSSCGKSA-N 324.833 3.154 0 40 DGAB CC(=O)NC1CCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 69452571 INGZFPIKMMUHJY-LLVKDONJSA-N 314.351 3.367 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1C 1922130 HGOZCPOUQUNOTF-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB O=C1O[C@H]([C@H]2CCCCC2=O)C(Cl)=C1Oc1ccccc1 3102167 HMKYFALCCRBFSO-SMDDNHRTSA-N 306.745 3.201 0 40 DGAB c1coc(CNc2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 41152016 QPHKSNGDGIUOKO-CYBMUJFWSA-N 324.384 3.426 0 40 DGAB C[C@@H](NC(=O)C(=O)NCCCCc1ccccc1)c1ccccc1 3127147 FXVYCLCPJUBEBQ-MRXNPFEDSA-N 324.424 3.003 0 40 DGAB O=C(NC1CC1)c1ccccc1NCCOc1ccccc1F 32810886 AVPZJSHIKBSZGG-UHFFFAOYSA-N 314.360 3.209 0 40 DGAB Cc1cccc(CSc2nc3c(c(=O)n2C)SCC3)c1 4339307 HAVUQSCZIYIUOH-UHFFFAOYSA-N 304.440 3.029 0 40 DGAB CC(C)COC(=O)Nc1nn2c(-c3ccccc3)nnc2s1 6818209 FWXDLTLZHRVQHH-UHFFFAOYSA-N 317.374 3.057 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccccn2)cs1 6830914 VGOWNHCVUMZYPD-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CC[C@H](C)Oc1ccc(NC(=O)NC[C@H]2CCCOC2)cc1 56742749 BNRRUVVNLJYPFM-UONOGXRCSA-N 306.406 3.412 0 40 DGAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccccc1 23128077 MULPORJMTYJXTE-UHFFFAOYSA-N 314.454 3.390 0 40 DGAB O=C(/C=C/c1ccco1)N1CCc2[nH]c3ccc(F)cc3c2C1 12407780 UBZAJUKIXJJIMJ-GQCTYLIASA-N 310.328 3.498 0 40 DGAB COCCCOc1cccc(C(=O)Nc2ccnc(C)c2)c1 76041552 DNMXTINGBUBAJM-UHFFFAOYSA-N 300.358 3.058 0 40 DGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)NCCCCc1ccccc1 3096092 IXLNPBARHKASTP-HZPDHXFCSA-N 303.402 3.017 0 40 DGAB CCc1nc2sc3c(c2c2nnc(S)n12)CC(C)(C)OC3 1306033 FOADVBIKOXELHB-UHFFFAOYSA-N 320.443 3.041 0 40 DGAB CCC1(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 78357201 POYGETACVNHZOJ-OAHLLOKOSA-N 306.381 3.099 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1cc(=O)[nH]c2ccccc12 12565008 FQOMEPCVFGFKQT-KRWDZBQOSA-N 318.376 3.336 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Nc2ccc3c(c2)CCC3)cc1 12554888 VZXBUFOTGJVYOD-CQSZACIVSA-N 324.424 3.301 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)C1 108462607 YGSJUJLXTXHZGE-MAZHCROVSA-N 319.376 3.033 0 40 DGAB O=C(c1ccc(F)cc1)N1CCN(CC2CCCCC2)CC1 44737625 PLVXHRVDFMLFCN-UHFFFAOYSA-N 304.409 3.164 0 40 DGAB CCCCc1noc(COc2ccc(-c3nnco3)cc2)n1 44906745 MRMMCNWYOVZCOY-UHFFFAOYSA-N 300.318 3.041 0 40 DGAB CCOc1cc(-c2nnn(Cc3ccc(C)cc3)n2)ccc1OC 10337755 LNBILUCYJKUROL-UHFFFAOYSA-N 324.384 3.104 0 40 DGAB Cc1cc(CNC(=O)C2CCOCC2)c2[nH]c(C)c(C)c2c1 58329831 BWFOLBABTQPRBL-UHFFFAOYSA-N 300.402 3.136 0 40 DGAB O=C(c1c(F)cccc1F)N1CCO[C@@H](c2ccc(F)cc2)C1 29117716 GEBRYOGKSWFHEV-OAHLLOKOSA-N 321.298 3.318 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)NCc2cccs2)cc1 48394260 LIFZCYRFLJPVNF-UHFFFAOYSA-N 303.387 3.418 0 40 DGAB Cc1nc(Nc2ccc(C(N)=O)cc2)c2c(C)c(C)sc2n1 8428019 INIDHNIORDORQE-UHFFFAOYSA-N 312.398 3.459 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 69512370 OOCUQGOPTTWPQK-UHFFFAOYSA-N 324.428 3.312 0 40 DGAB O=C(CCc1ccsc1)NCCc1nc2c(s1)CCCC2 69599398 WVDXIUTZLKJINL-UHFFFAOYSA-N 320.483 3.375 0 40 DGAB O=C(O)c1ccc(CCNC(=O)c2ccc(F)cc2Cl)cc1 13443039 CTCONJGUWVUISJ-UHFFFAOYSA-N 321.735 3.150 0 40 DGAB C[C@@H]1C[C@@H](Sc2nnc(NC3CCCCC3)s2)C(=O)O1 49304913 JSOQBLOIFCWOFG-PSASIEDQSA-N 313.448 3.079 0 40 DGAB COc1ccc(SCC(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 22521538 KEMKNYHUDSMERR-SCRDCRAPSA-N 321.442 3.101 0 40 DGAB O=[P@@H](O)[C@@H](NCc1ccccc1)c1cccc2cccnc12 13690017 ULRHYSWSXIDCCO-QGZVFWFLSA-N 312.309 3.490 0 40 DGAB COc1ccccc1OC(=O)c1nn(-c2ccccc2)cc1OC 18114439 KHYMFBNPBIEMRP-UHFFFAOYSA-N 324.336 3.109 0 40 DGAB CC(=O)Nc1cccc(NS(=O)(=O)c2cc(C)ccc2C)c1 6549651 RCJQMAGPTQYQAD-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CCc1cc(C(=O)N2CCN(c3nccs3)CC2)sc1C 14350663 QSWCPYVKYKXOTA-UHFFFAOYSA-N 321.471 3.038 0 40 DGAB C[C@@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5555791 DAAKKQHTSRFNET-CYBMUJFWSA-N 314.410 3.386 0 40 DGAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1cccc(Cl)c1 6672658 ZPPQRSZGXPFJJF-ZDUSSCGKSA-N 316.744 3.068 0 40 DGAB COCc1cc(C(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)no1 110629481 AQRHYYYLQVOWJN-XQLPTFJDSA-N 318.417 3.252 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)c2cccc(N(C)C)c2)c1 70771719 WDOLPICEOKQLNA-UHFFFAOYSA-N 320.396 3.499 0 40 DGAB CCOc1ccccc1NC(=O)CN1c2ccccc2C[C@@H]1C 6820720 KWYJCJSRZNYCDE-AWEZNQCLSA-N 310.397 3.475 0 40 DGAB COC(=O)CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 70817658 FOJXPMWYFCGBFO-UHFFFAOYSA-N 301.186 3.309 0 40 DGAB CCOc1ncccc1NC(=O)N[C@@H](C)c1nc(C)cs1 69218341 YTPPWTXITLVRBI-JTQLQIEISA-N 306.391 3.128 0 40 DGAB CCCCOc1ccc(NC(=O)NCCn2ccnc2)c(C)c1 69350602 MPBKMTONUUNITN-UHFFFAOYSA-N 316.405 3.192 0 40 DGAB CC(C)n1cc2c(n1)[C@H](Nc1ccc3nccnc3n1)CCC2 96002445 QAYAJHLXPHDWKT-CYBMUJFWSA-N 308.389 3.292 0 40 DGAB Cn1ccnc1CN[C@H](c1c(F)cccc1F)C(F)(F)F 96002835 HAKWIKHUWHUTAK-GFCCVEGCSA-N 305.250 3.092 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c1C 9365389 LYHSCSXLQIZETA-CABCVRRESA-N 302.418 3.486 0 40 DGAB Oc1nc(-c2ccccn2)nc2cc(F)c(Br)cc12 97085276 AQACOIYVCBGXEA-UHFFFAOYSA-N 320.121 3.299 0 40 DGAB O=C(c1c[nH]nc1-c1ccccc1Cl)N1CCc2cnccc21 97098030 AYLCKVPUQAEWRY-UHFFFAOYSA-N 324.771 3.328 0 40 DGAB O=C(Cc1cccs1)NC1(c2ccc(F)cc2)CCOCC1 71884384 OFBVEPGVTOPPCA-UHFFFAOYSA-N 319.401 3.252 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)NOCc2ccccc2)c1 71857056 YFKUAFUZZQSBHG-UHFFFAOYSA-N 322.368 3.434 0 40 DGAB CCc1ocnc1C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 83817701 WMWGKCIOKORNCL-SFHVURJKSA-N 321.380 3.284 0 40 DGAB O=S(=O)(Cc1ccc(OC(F)F)cc1)c1cccc(F)c1 83994342 UXOHRESVQHOPTK-UHFFFAOYSA-N 316.300 3.401 0 40 DGAB CC(C)(C)Oc1ccncc1NC(=O)[C@H]1CC1(Cl)Cl 84240894 MWMGHQOPFMNOIF-MRVPVSSYSA-N 303.189 3.391 0 40 DGAB CCc1noc(C)c1NC(=O)N(C[C@H](C)O)C1CCCCC1 97113487 FBVNWVDALITXEU-NSHDSACASA-N 309.410 3.093 0 40 DGAB C[C@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H]1N(C)C 78894700 OZBWYDQQGBEAPK-GXFFZTMASA-N 306.793 3.108 0 40 DGAB CCCN1CCC(NC(=O)Nc2cccc(OCC)c2)CC1 97595674 NCBFSYBLPRUZBP-UHFFFAOYSA-N 305.422 3.081 0 40 DGAB C[C@H](c1ccncc1)N(C)C(=O)Nc1ccccc1[S@@](C)=O 84667376 UQAMYPVNNPPPEJ-IPQOISQHSA-N 317.414 3.044 0 40 DGAB c1csc(-c2n[nH]cc2CNc2ccc(-n3ccnn3)cc2)c1 95428932 XHNVKMKHAROFDB-UHFFFAOYSA-N 322.397 3.331 0 40 DGAB C[C@@H](CSc1ccccc1)C(=O)NCCCCCC(=O)O 95424988 KWIPAMYXJWLZIU-ZDUSSCGKSA-N 309.431 3.176 0 40 DGAB COc1ccc([C@@H](C)NCc2ccnn2C)c(Br)c1 95987788 CJHGCGAEWNIMFK-SNVBAGLBSA-N 324.222 3.042 0 40 DGAB CC[C@H](OC(=O)c1ccc(-c2nc(C)cs2)cc1)C(=O)OC 95977644 YRUFPGGWELGLBT-ZDUSSCGKSA-N 319.382 3.227 0 40 DGAB CC[C@@](C)(NC(=O)c1cc(C2CC2)on1)c1nc(C)cs1 75146339 CZOKVRHIMAFAHE-OAHLLOKOSA-N 305.403 3.372 0 40 DGAB Cc1nc(-c2cccc(C(=O)NC3(C)CCOCC3)c2)cs1 89712629 UPAODBUBCVNRCH-UHFFFAOYSA-N 316.426 3.417 0 40 DGAB CC(C)CC[C@@](O)(CCN1CCOCC1)c1ccc(F)cc1 27346904 JDCVGZLDECJNRB-GOSISDBHSA-N 309.425 3.172 0 40 DGAB Cc1nc(-c2cccc(Cl)c2)[nH]c1C(=O)OC1CSC1 1548596191 ULKDHVCZKTVZAO-UHFFFAOYSA-N 308.790 3.311 0 40 DGAB COc1ccc(OCc2nnc(CCc3ccccc3)o2)cc1 66054488 OJXMAIUMXBFCIS-UHFFFAOYSA-N 310.353 3.442 0 40 DGAB C[C@@H]1CN(C(=O)Cc2cccnc2)c2cccc(Cl)c2O1 189851466 LFKFEWANTJAKCA-LLVKDONJSA-N 302.761 3.092 0 40 DGAB Cc1cc(C)c(N[C@@H]2CC(=O)N(c3ccccc3)C2=O)c(C)c1 36635329 OENNJJINTMXHHK-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@@H]2CCCc3ccccc32)s1 72288195 VXUMINSGYZZQJH-CYBMUJFWSA-N 300.383 3.404 0 40 DGAB O=S(=O)(Nc1nnc(-c2ccccc2)s1)c1cccs1 35670806 YHDAEVWQOYTDQU-UHFFFAOYSA-N 323.424 3.067 0 40 DGAB Cc1ccnc([C@]2(C)CCCN2C(=O)Cc2ccc(F)cc2)n1 72388547 ZZQWRPIWUNFQDS-SFHVURJKSA-N 313.376 3.004 0 40 DGAB Cc1ccc(C(=O)Oc2c(C)cccc2C)cc1S(C)(=O)=O 40140137 OYYGZPWGAZLQGT-UHFFFAOYSA-N 318.394 3.235 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)cc2)C1 225727724 PUGLPAVARNALLA-ZIAGYGMSSA-N 323.481 3.480 0 40 DGAB CCOC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 225322918 COUQADFBBDPWTB-ZOWXZIJZSA-N 318.442 3.338 0 40 DGAB Cc1ccc(C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)c(Cl)c1 225003027 RYOGOAXTUGAWAZ-OKILXGFUSA-N 308.853 3.356 0 40 DGAB CCSc1ccccc1C(=O)NCc1cnn2c1CCCC2 225609924 DXBJOPCAVHRSLK-UHFFFAOYSA-N 315.442 3.261 0 40 DGAB CC(C)CNC(=S)Nc1ncc(Br)cc1Cl 223876338 JBDREBBZKCITIV-UHFFFAOYSA-N 322.659 3.440 0 40 DGAB O[C@@H](CCC1OCCCO1)c1ccccc1Br 95728406 JAHRQYDZMCVCIV-LBPRGKRZSA-N 301.180 3.026 0 40 DGAB C[C@H](CNC(=O)C1(C)CCOCC1)Oc1ccc(Cl)cc1 96431969 SKKFNWXXIRBAQV-GFCCVEGCSA-N 311.809 3.040 0 40 DGAB O=C(COCC(F)(F)F)N1CCC(=Cc2ccccc2)CC1 96454718 APQYPDBASRXELF-UHFFFAOYSA-N 313.319 3.271 0 40 DGAB COc1c(CNc2nc3cc(Cl)ccc3o2)c(C)nn1C 97231799 CEGWIVWQKVECKS-UHFFFAOYSA-N 306.753 3.144 0 40 DGAB O=C(O)Cc1sc(N2CCCC2)nc1-c1ccc(F)cc1 95097134 YKAFKLHFVKMBCO-UHFFFAOYSA-N 306.362 3.177 0 40 DGAB CC(C)c1nc2cc(NC(=O)N[C@H]3CCC[C@H]3CO)ccc2o1 96434979 MAJOMLDCOUXTJM-AAEUAGOBSA-N 317.389 3.234 0 40 DGAB c1cc(-c2noc(C3CC3)n2)cc(-c2nc([C@@H]3CCOC3)no2)c1 96462702 VAWHGHKCKXSOHQ-CYBMUJFWSA-N 324.340 3.168 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(Oc2cccc(F)c2)o1 96183928 YOLJDGRIGFLJLA-ZDUSSCGKSA-N 305.305 3.120 0 40 DGAB COc1cc(C)c([C@H](C)NC(=O)Nc2cc(C)on2)cc1OC 43177029 UQCUNBFPWGKASR-NSHDSACASA-N 319.361 3.191 0 40 DGAB CS(=O)(=O)N(CCC1=CCCCC1)c1ccccc1C(=O)O 547878589 TXHMXOAPWGPCCU-UHFFFAOYSA-N 323.414 3.041 0 40 DGAB O=C(c1ccc2ncsc2c1)N1CCn2nc(C3CC3)cc2C1 390830826 NSEPWAXVOGMHOA-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB Cc1ccc(Oc2ccccc2OCCN2CCOCC2)cc1 585265615 UYGXKXBBGFKWCV-UHFFFAOYSA-N 313.397 3.498 0 40 DGAB O=C(NCc1ccc(CO)c(F)c1)Nc1ccccc1Cl 53756036 BFQWPDBFBBMAHE-UHFFFAOYSA-N 308.740 3.293 0 40 DGAB COCCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 58669528 MTLVFYTXLNKZHO-GOSISDBHSA-N 324.380 3.184 0 40 DGAB CCn1c(CNC(=O)[C@@H](c2ccccc2)C(C)C)n[nH]c1=S 80033458 MSGDVFAMEIWUDT-CQSZACIVSA-N 318.446 3.017 0 40 DGAB Cc1cc(Cl)c(C(C)C)cc1Oc1ccc2nnnn2n1 12891908 BQFDPFCAKFOJIN-UHFFFAOYSA-N 303.753 3.397 0 40 DGAB COc1ccc(-c2nc(CCn3cnc4ccccc43)no2)cc1 16954806 POTNOYLNLNVNCC-UHFFFAOYSA-N 320.352 3.338 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCCn2ccnc2C2CC2)cc1 253400815 LXTGFXQSHPPWKN-UHFFFAOYSA-N 311.429 3.488 0 40 DGAB COc1cc(C)ccc1-c1csc(CCN2CCCC2=O)n1 585137926 BCZWFMGIVAMVMR-UHFFFAOYSA-N 316.426 3.292 0 40 DGAB Cc1ccc(C)c(C(=O)COC(=O)c2cccnc2Cl)c1 3396903 UMHBYIMLVPPZHY-UHFFFAOYSA-N 303.745 3.392 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)[C@@H]3CC=CCC3)cc2)cn1 1889125206 VTWODTRFCMCINQ-QGZVFWFLSA-N 309.413 3.102 0 40 DGAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CCSCC1 49213380 WUUYVIMNXROLSH-SNVBAGLBSA-N 301.864 3.396 0 40 DGAB Cc1cc(C)nc(NC(=O)c2c(F)c(F)c(F)c(F)c2F)n1 2495499 INWBWZZUYQEANS-UHFFFAOYSA-N 317.217 3.041 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3cccc(F)c3)o2)cc1 4276065 OQBMVXBVMRPYTE-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB CCn1cc(C(=O)Nc2ccccc2)c(=O)c2cc(OC)ccc21 22235709 RMZNAAXKNNLLBW-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB O=C(c1ccccc1)c1ccccc1C(=O)N1C[C@H]2C[C@H]1CS2 575615258 CAIQUFJWHGGMRU-LSDHHAIUSA-N 323.417 3.248 0 40 DGAB O=C(O)C[C@H](CC(=O)NCc1ccsc1)c1cccs1 90607326 NZPKWYVFNYZTRY-NSHDSACASA-N 309.412 3.074 0 40 DGAB O=C(O)CCCC(=O)c1c[nH]c2cc(Br)ccc12 50165918 LRZJYBHTTNFGAP-UHFFFAOYSA-N 310.147 3.368 0 40 DGAB O=C(NC1CCCC1)N1CCC([C@H](O)c2ccccc2)CC1 31031877 DCSVYZANVFNXBC-QGZVFWFLSA-N 302.418 3.084 0 40 DGAB c1ccc2c(c1)OC[C@@H](c1nnc3n1-c1ccccc1SC3)O2 2638034 YNOCYKOVZIRAHX-AWEZNQCLSA-N 323.377 3.386 0 40 DGAB CCCCN(CCCC)CCCn1cnc2ncccc2c1=O 1617227 PFLBXUFECVABME-UHFFFAOYSA-N 316.449 3.084 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102192093 RDOIINCSTNEFQC-WFGGJUAMSA-N 303.402 3.258 0 40 DGAB COc1cc(C=O)cc(Cl)c1OCC(=O)Nc1ccccc1 2767903 SCAWONWZTXGACZ-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB CSCc1c(C(=O)O[C@H]2C[C@H](C)OC2=O)oc2ccccc12 32736487 NITWZHQYSBANKN-ZANVPECISA-N 320.366 3.157 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NCCC1=CCCCC1 3440837 BRAMLQBKHHBWHA-AWEZNQCLSA-N 303.402 3.469 0 40 DGAB CCCc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 6588894 SUNRWUCUYDOABF-AWEZNQCLSA-N 318.442 3.206 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)c1C 101275299 LWJRJVGXQBEDSU-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB COc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 531662 AZOSMKBVNQSFIF-CVEARBPZSA-N 321.384 3.015 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 12348906 RDOSKVKYKDRYLI-OAHLLOKOSA-N 303.431 3.481 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(F)cc1C 22842105 HCARPMYTUXHFAR-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB CCn1cc(Br)c(C(=O)Nc2ccccc2F)n1 999593 KZAOHYPRHSJEGL-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB O[C@H](C[C@H]1CCCN1CCN1CCCCC1)c1ccccc1 76107480 CAXPNAXPVKEFSH-RTBURBONSA-N 302.462 3.060 0 40 DGAB COc1ccccc1CCC(=O)Nc1nnc(C2CCC2)s1 61718193 JASKCJGMSLOWSJ-UHFFFAOYSA-N 317.414 3.386 0 40 DGAB Cc1ccc([C@@H](C)N(C)CN2C(=O)CC3(CCCC3)C2=O)s1 54550135 MKJPCUOHWZQLRF-CYBMUJFWSA-N 320.458 3.326 0 40 DGAB O=C(COC(=O)c1ccccc1Cl)Nc1ccccc1F 1019357 XOVAFLGQZHUWEI-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1cccc(N2N=C(C(=O)Oc3ccccc3)CCC2=O)c1 21197057 BBZOXMFBYSMONB-UHFFFAOYSA-N 308.337 3.083 0 40 DGAB CC1=CC[C@@H](C(=O)O)[C@H](C(=O)Nc2nc3ccccc3s2)C1 26444504 GUJPAOIGOPJEBR-GHMZBOCLSA-N 316.382 3.292 0 40 DGAB COc1ccc(OCC(=O)Nc2nc3c(s2)CCCC3)cc1 3271963 KKZQMTJZTKVDKY-UHFFFAOYSA-N 318.398 3.048 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1F 3393036 MSAXTXMRFIVLGN-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2ccc(F)c(F)c2)c1 3332939 NELZGLHWJFXURE-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N(Cc1ccsc1)C1CC1 58328043 HNTMUJDFTNAGIV-UHFFFAOYSA-N 324.409 3.134 0 40 DGAB C[C@@H](NC(=O)COC1CCCC1)c1nc(-c2ccccc2)c[nH]1 58324100 YRLCCIQCDWJBTJ-CYBMUJFWSA-N 313.401 3.213 0 40 DGAB O=C(COCc1ccccc1Cl)Nc1nnc(C2CC2)s1 48231109 DQMPBERGXWNXSP-UHFFFAOYSA-N 323.805 3.224 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)c1ccsc1 12780063 DBKCJWWDWTZDDS-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCOCc1ccccc1 177076000 NARXJVIKOXUTOJ-VAWYXSNFSA-N 311.381 3.041 0 40 DGAB O=S(=O)(NCCc1ccccc1F)c1cccc(Cl)c1 12951174 LDIDWNXHJVRXEW-UHFFFAOYSA-N 313.781 3.000 0 40 DGAB Cc1cccc(-n2ncc(C(=O)NCc3ccccc3)c2C)c1 13020493 VOGNIGFKKDQENP-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB c1ccc(-c2cccc(CN[C@@H]3CCc4ncnn4C3)c2)cc1 69493260 PEUVUDCMUTZQIR-GOSISDBHSA-N 304.397 3.050 0 40 DGAB Cc1nc2c3ccccc3nc(SCCc3ccncc3)n2n1 13231194 UVKYBIIXFACAPK-UHFFFAOYSA-N 321.409 3.316 0 40 DGAB C[C@H](OC(=O)c1cccc2c1OCCO2)c1nc2ccccc2[nH]1 64358947 FUEFLFJGENZLSS-NSHDSACASA-N 324.336 3.252 0 40 DGAB CCCSc1nnc(NC(=O)c2sc(C)nc2C)s1 5183510 SBPMUPTXZBCJRD-UHFFFAOYSA-N 314.461 3.366 0 40 DGAB NCCc1nnc(SCc2ccc(Cl)cc2Cl)o1 5100741 WLPSAJWRNXIPBM-UHFFFAOYSA-N 304.202 3.170 0 40 DGAB Cc1cc(C(=O)N(Cc2cccnc2)Cc2ccccc2C)[nH]n1 65488416 KJWNZROQPGBKSC-UHFFFAOYSA-N 320.396 3.264 0 40 DGAB CC(C)[C@@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14093892 XEDJBCTVADFLEF-CYBMUJFWSA-N 320.433 3.486 0 40 DGAB CN1CCN(C(=O)/C=C/c2cccs2)[C@H](c2ccccc2)C1 14138830 DXWNTWKQSQGNFN-FVNWOWOISA-N 312.438 3.277 0 40 DGAB CCC(C)(C)NC(=O)/C=C/c1cc(OC)c(OC)c(OC)c1 4694503 ZHSTZRJCGXBKJC-CMDGGOBGSA-N 307.390 3.030 0 40 DGAB CCc1c(C(=O)Nc2ccccc2C)cnn1-c1ccccn1 8715208 PETLZBHPEWKGNK-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB CCOc1cc(CNC(=O)Cc2ccc(F)cc2)ccc1OC 114293559 FINJEXLQZFVVBV-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1OC 6919653 NVEQOZFNEIYNJR-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Cc1ccc(C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cc1 7786162 ZLZYQONTLVYALU-UHFFFAOYSA-N 323.801 3.304 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2sccc12 71859628 BNIQHNAWAXYESP-CYBMUJFWSA-N 313.430 3.383 0 40 DGAB O=c1c(NCCNc2cccc3ccccc23)nccn1C1CC1 97037081 KOFPNROWNUNPQI-UHFFFAOYSA-N 320.396 3.255 0 40 DGAB CCO[C@H](C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1 72290818 GCHGGVGQFAZSME-OLZOCXBDSA-N 320.462 3.343 0 40 DGAB Cc1n[nH]cc1CNCc1ccc(Oc2ccc(F)cc2)nc1 97159618 LQOCIWGYMQDAGL-UHFFFAOYSA-N 312.348 3.334 0 40 DGAB Cc1cccc(C)c1OC[C@@H](NC(=O)[C@H]1CCCO1)C(C)(C)C 79094111 OMECADIBVGQLHL-HZPDHXFCSA-N 319.445 3.392 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCC[C@H]1Cc1ccccc1 95955151 IVECZZMCJPRQHY-INIZCTEOSA-N 313.401 3.208 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)N(C)Cc1nccs1 74858511 JVKQDARCHXXUQQ-CYBMUJFWSA-N 319.430 3.060 0 40 DGAB COc1ccc(-c2nc(CN(C)[C@H](CO)C(C)(C)C)co2)cc1 89621514 LVHVTCSFQSGOPF-MRXNPFEDSA-N 318.417 3.189 0 40 DGAB O=C(Nc1ccc2[nH]ncc2c1)c1ccc(NC(=O)C2CC2)cc1 89781082 XLXMSPKOGKYFLI-UHFFFAOYSA-N 320.352 3.164 0 40 DGAB Cc1ccc([C@H](O)CN[C@H](C)CC(=O)Nc2ccccc2)cc1 75572714 MVYIVVBGOJMVDA-CRAIPNDOSA-N 312.413 3.035 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccnc1 27975833 UBGKWVYTLCHMMV-GOSISDBHSA-N 310.397 3.044 0 40 DGAB Cc1ccc(C)c(NC(=O)Cc2noc(Cc3ccccc3)n2)c1 35316237 ZWPCWAUARVUWCU-UHFFFAOYSA-N 321.380 3.458 0 40 DGAB CCOC(=O)c1nn2c(C)cc(C)nc2c1-c1ccc(C)cc1 32918671 ORLNOAMSTCSIFO-UHFFFAOYSA-N 309.369 3.498 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@@H]2c1cccs1 79479644 JTKAXBWXIXBIEQ-LLVKDONJSA-N 309.416 3.243 0 40 DGAB CC(=O)N1[C@H](c2ccc(Cl)cc2)SC(C)(C)[C@@H]1C(=O)O 34729041 GSTLMKSTPLZJSA-RYUDHWBXSA-N 313.806 3.166 0 40 DGAB CCOC(=O)CN(C(=O)c1cccs1)c1ccccc1F 125134936 RZMQNSAUYGDXEZ-UHFFFAOYSA-N 307.346 3.097 0 40 DGAB CN(C(=O)CCc1ccccc1)c1nnc(-c2cccnc2)s1 35313735 HOHLIWAAJSDEQY-UHFFFAOYSA-N 324.409 3.196 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccsc2)c2ccco2)no1 670786425 OSGZNDNEFGYSHR-LBPRGKRZSA-N 302.355 3.199 0 40 DGAB O=C(CCc1ccccc1)NCCCn1ncc2ccccc21 72239448 DCTJFXANFPEBHH-UHFFFAOYSA-N 307.397 3.175 0 40 DGAB Cc1cccc(CC(=O)NC[C@H]2CCCN2c2ccccc2)c1 211115714 UDTCEKYXSZUDCM-LJQANCHMSA-N 308.425 3.323 0 40 DGAB c1cnc(N2CCC[C@@H]2c2cccc(Nc3nccs3)n2)nc1 72375294 IPHFHVKYEFGPSB-CYBMUJFWSA-N 324.413 3.413 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)NCCC1=CCCCC1 225717207 YKGFNOHCDLCFAA-UHFFFAOYSA-N 310.397 3.008 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222833029 HKWQUHFKRIQNSX-ZDUSSCGKSA-N 324.852 3.239 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCCC1 224676003 CJMKYGGXVADFBZ-HNNXBMFYSA-N 316.445 3.263 0 40 DGAB CCOc1ccc(Nc2ccc(N)cc2C(=O)NC2CC2)cc1 225479841 JRUGWQCXIURWNV-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB CCOc1ccc(CNC(=O)CCc2ccccc2F)cc1 223844784 CKKSYEVINWNGLG-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB CC(C)Oc1c(Cl)cccc1NC(=O)N(CCO)C(C)C 97374990 OIKVHGJMEJDSBR-UHFFFAOYSA-N 314.813 3.362 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2cccs2)c(F)c1 96416084 MDCSGDRPDCWWDC-LLVKDONJSA-N 320.389 3.054 0 40 DGAB COC(=O)[C@@H](C)S[C@H](C)c1nc(Cc2ccc(F)cc2)no1 96461773 MUBZFQSITACKJI-NXEZZACHSA-N 324.377 3.155 0 40 DGAB O=C(NCCc1cccnc1)N[C@@H]1C[C@@H]1c1cccc(Cl)c1 96419861 DQDIIWMBOQYMNV-HZPDHXFCSA-N 315.804 3.133 0 40 DGAB Cc1ncccc1C(=O)NC1CCN(C2CCC(C)CC2)CC1 95394072 QIJCSGRFNBOSAR-UHFFFAOYSA-N 315.461 3.163 0 40 DGAB O=C1N(Cc2cccc(F)c2)CC[C@@]12CCN(CC1CCC1)C2 96159694 MCIOEVLAYHTGRV-LJQANCHMSA-N 316.420 3.050 0 40 DGAB Cn1c(CNCc2sccc2Br)cnc1Cl 585091201 HCSMNRFQXNVPMB-UHFFFAOYSA-N 320.643 3.187 0 40 DGAB CC[C@@H]1C[C@@H](Cc2nc(-c3ccccc3OC)no2)CCO1 252508975 XZUUOULDLXQVDP-QWHCGFSZSA-N 302.374 3.493 0 40 DGAB CO[C@H](CNC(=O)/C=C/c1cccs1)c1cccc(F)c1 96387996 ZNBZITSJJDGYBX-MVGZEHJDSA-N 305.374 3.404 0 40 DGAB CO[C@H]1CCCC[C@H]1OC(=O)c1oc2c(c1C)C(=O)CCC2 44734922 DPGRFGJAHOOCEV-QWHCGFSZSA-N 306.358 3.221 0 40 DGAB C[C@@H](c1cccs1)N(C)CCS(=O)(=O)c1ccccc1 53814031 PJUSWKNJXKJIFB-ZDUSSCGKSA-N 309.456 3.215 0 40 DGAB C[C@@H](CNC(=O)Nc1cccc(C(F)F)c1)Cn1cccn1 69509938 AVKHUQRMPYNHEW-NSHDSACASA-N 308.332 3.279 0 40 DGAB COc1ccc(-c2n[nH]cc2-c2nc(-c3ccncc3)no2)cc1 194896865 FYLWBJFXTQCQDV-UHFFFAOYSA-N 319.324 3.197 0 40 DGAB FC(F)(F)CCN1CCN(c2nsc3ccccc23)CC1 1202319638 RDDXNFPIOVPLPX-UHFFFAOYSA-N 315.364 3.371 0 40 DGAB Cc1cc(C(=O)NC2CCC3(CC2)OCCO3)ccc1Cl 122058610 VPKMJBOGXDNJRA-UHFFFAOYSA-N 309.793 3.064 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1[nH]nc2c1CCCCC2 12147403 WZLZRPIDCYYNAN-LLVKDONJSA-N 303.431 3.101 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1ncoc1-c1cccs1 12338272 UJGQSFFDTOBJIP-UHFFFAOYSA-N 314.322 3.384 0 40 DGAB O=C(Nc1cccc(-n2cccn2)c1)C1CN(C2CCCCC2)C1 19747578 MPKQXBPNWDTKHE-UHFFFAOYSA-N 324.428 3.075 0 40 DGAB COc1cccc2s/c(=N/C(=O)C3CCCCC3)n(C)c12 11853035 WMEFIGIQGRVGID-WUKNDPDISA-N 304.415 3.256 0 40 DGAB CC[C@H](C(=O)Nc1c(C)nc2ccccn2c1=O)c1ccccc1 17269163 QQOSXQCECLXGDI-HNNXBMFYSA-N 321.380 3.135 0 40 DGAB Cc1cccc(C(=O)/N=c2\sc3cccc(F)c3n2C)c1 100909164 XIIIJMVHPMHDDI-VLGSPTGOSA-N 300.358 3.428 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nccc3sccc23)C1 2086881843 KPSSGXCAQQQHEU-NSHDSACASA-N 303.431 3.037 0 40 DGAB Cc1noc(-c2ccc(NC(=O)NCc3cccs3)cc2)n1 49027595 IRBCKOFAHAYPLF-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB NC12C[C@H]3C[C@@H](C1)CC(c1cc(C(=O)O)c4ccccc4n1)(C3)C2 4425154 PKPGXBXDNMSFJU-BRRVFRNMSA-N 322.408 3.482 0 40 DGAB CCc1ccc(N2C[C@H](c3noc(-c4ccco4)n3)CC2=O)cc1 104567669 ZPLUTBTWLUUTCM-CYBMUJFWSA-N 323.352 3.413 0 40 DGAB Cc1ccc(F)c(NC(=O)NC[C@H](O)c2ccccc2F)c1 40526370 QRFZUNSJMQOBII-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(Cc2ccn(C)c(=O)c2)C2CC2)o1 51183389 YOXXOAKGMSENNH-SUMWQHHRSA-N 312.413 3.266 0 40 DGAB Cc1ccc(-c2nc(C(=O)Nc3cccc(CO)c3)cs2)o1 51483075 DGKONLKXCLQPPN-UHFFFAOYSA-N 314.366 3.456 0 40 DGAB O=C(Cc1coc2cc3c(cc12)CCC3)NCc1cccnc1 21043809 BCGBVMFILVOPJP-UHFFFAOYSA-N 306.365 3.175 0 40 DGAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3)C2=O)cc1 242442 NURIKNJWZFJERD-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB CCc1ccc(N2C(=O)c3ccc(NC(C)=O)cc3C2=O)cc1 353712 PLKVHJZHNAOUJO-UHFFFAOYSA-N 308.337 3.008 0 40 DGAB CC(C)(C)c1ncc(NC(=O)N2CCc3ccccc3C2)cn1 60127211 BIOPDXQIXDUHOX-UHFFFAOYSA-N 310.401 3.364 0 40 DGAB Cc1cnn(CCc2nnc(Nc3ccc(F)cc3)s2)c1 2760344 HARMFLBDQQAZQL-UHFFFAOYSA-N 303.366 3.168 0 40 DGAB CCOP(=O)(OCC)C(C)(C)NC(=O)c1cccs1 3180304 GSCQHTBUILVWTM-UHFFFAOYSA-N 305.336 3.480 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)nc1)c1ccnc(Cl)c1 32883900 ALXNFBXKDXAMEJ-UHFFFAOYSA-N 316.792 3.373 0 40 DGAB CCCCN(C(=O)C1CC1)c1nnc(-c2ccncc2)s1 4881360 JIJFTGQVAAWIPJ-UHFFFAOYSA-N 302.403 3.143 0 40 DGAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)c1 7212497 HWYZMXPSVTVZOQ-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CCOc1ccccc1C(=O)Nc1onc2c1C[C@@H](C)CC2 11917595 BZMDCGFYLJEYSA-NSHDSACASA-N 300.358 3.450 0 40 DGAB CCOc1c(Cl)cc(Cl)cc1CNc1nnnn1CC 8339945 CRBZHCROFSHKAY-UHFFFAOYSA-N 316.192 3.011 0 40 DGAB COCCNc1nc2ccccc2c2nc(-c3ccccc3)nn12 10157691 MLQQHYYNAGNPRW-UHFFFAOYSA-N 319.368 3.003 0 40 DGAB Cc1cccc(C)c1N1CCN(C(=O)c2cccc(F)c2)CC1 10272143 FKPIIUXENMANEW-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB Cc1[nH]c(=S)sc1CC(=O)N1CCS[C@H](C(C)C)C1 76067740 VJMDWUGCQDYRRK-NSHDSACASA-N 316.517 3.257 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@@H]1c1ccncc1 22960363 KVAOARAZLNASFW-OAHLLOKOSA-N 320.389 3.055 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2cc(=O)c3ccccc3o2)no1 76020265 LHUNMVADYHTNIA-UHFFFAOYSA-N 312.325 3.331 0 40 DGAB C[C@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 21809531 SUZPBBSUTBAACQ-RBZYPMLTSA-N 303.233 3.102 0 40 DGAB O=C(Nc1cccc(Cl)c1)Nc1ccccc1-c1nnn[nH]1 34004794 FVMWWEIIZAOJFC-UHFFFAOYSA-N 314.736 3.164 0 40 DGAB Nc1nc(Cl)cc(NCCc2ccc(C(F)(F)F)cc2)n1 24056406 OZMSJGOHYOIYGR-UHFFFAOYSA-N 316.714 3.386 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)Cc1cn2ccccc2n1 24443492 RXRDUPSUUMTKAV-UHFFFAOYSA-N 305.381 3.165 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)c2cccnc12 24987365 NXXHCLKQYAYXNV-KRWDZBQOSA-N 304.349 3.485 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101488424 IMJGMASRFMEFGF-JLNYLFASSA-N 301.386 3.012 0 40 DGAB Cn1cc(C(=O)NC2CCCCCCC2)c2ccccc2c1=O 61718457 VZYDOOCBCSFKRD-UHFFFAOYSA-N 312.413 3.381 0 40 DGAB O=C(CN1CCC[C@H]1c1ccc(F)cc1)Nc1nccs1 25446030 PWZCVXKQBIYLIS-ZDUSSCGKSA-N 305.378 3.058 0 40 DGAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1c[nH]c2ccccc2c1=O 107338839 MHZDCEZJVDXYFC-MELADBBJSA-N 310.397 3.084 0 40 DGAB COc1ccc(C)cc1NCC(=O)N1CCc2sccc2C1 57932365 QDAVBGKJQSYHGZ-UHFFFAOYSA-N 316.426 3.062 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)[C@H]1CCCN(c2ccccn2)C1 58246280 DGXMVLZMASSPIY-WMZOPIPTSA-N 321.424 3.102 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)[C@H](c1ccccc1)n1cccn1 58218307 JDAJESJKAJJBPA-HNNXBMFYSA-N 324.409 3.445 0 40 DGAB CC[C@H](SC[C@H](O)c1ccccc1)C(=O)Nc1cc(C)on1 58420931 BUODRHRZCREULC-KBPBESRZSA-N 320.414 3.167 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)Oc1cccc2c1CCC2=O 58612005 XPMQLKSHZYUQTM-UHFFFAOYSA-N 320.341 3.031 0 40 DGAB Cc1cc(C(=O)NCCc2ccccc2)c2cnn(C(C)C)c2n1 10808752 SUVSGKNYPNMNPV-UHFFFAOYSA-N 322.412 3.293 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cccs1)c1ccccc1Cl 11089082 RHVNVIWGVYBNRC-GFCCVEGCSA-N 323.801 3.436 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2[nH]1 12616389 CGYHRVGCEWKHPJ-VXGBXAGGSA-N 303.431 3.445 0 40 DGAB Cc1ccc(C)c(-c2csc(CCN3CCOC3=O)n2)c1 45816924 PZJIHKDWZQGAGB-UHFFFAOYSA-N 302.399 3.422 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)/C=C/c1ccco1 3388078 ZFOWCDLEZQCAGU-SOFGYWHQSA-N 300.310 3.247 0 40 DGAB CCCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3327431 ZNAGVSROQXLOQF-UHFFFAOYSA-N 301.717 3.047 0 40 DGAB CCCc1cc(C(=O)N[C@@H]2CCN3CCCC[C@H]23)sc1C 48251758 FZNZEKQGZKWWJS-HUUCEWRRSA-N 306.475 3.366 0 40 DGAB C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)C1 48288924 ZNWWVKUUXAAAMO-CRAIPNDOSA-N 318.436 3.091 0 40 DGAB COc1ccc(NC(=O)[C@@H]2COc3ccccc3C2)cc1F 48345680 OVMDIIHIWWJJPO-LBPRGKRZSA-N 301.317 3.024 0 40 DGAB Cc1n[nH]cc1CNC(=O)Cc1coc2ccc3ccccc3c12 48354436 QXESEKMOIWCHJG-UHFFFAOYSA-N 319.364 3.476 0 40 DGAB CCOc1ccc(OCC(=O)c2ccc(NC(C)=O)cc2)cc1 3440782 DDKFJQYKLNEDHZ-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB Cc1c(C(=O)NC(C)C)cnn1-c1cccc(C(F)(F)F)c1 12935438 VTTKJNYJGGLOGH-UHFFFAOYSA-N 311.307 3.338 0 40 DGAB COCc1nc(C(=O)N[C@H](C)c2cc(C)sc2C)cs1 49158281 DMVBKIIRBSWUCF-SECBINFHSA-N 310.444 3.459 0 40 DGAB Cc1noc(C)c1C(=O)OCC(=O)C12CC3CC(CC(C3)C1)C2 5194593 YCIUVWPUGIFPLU-UHFFFAOYSA-N 317.385 3.234 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(F)c2)c1 14021468 XCMITOINEWLIDS-UHFFFAOYSA-N 317.316 3.182 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(OCC2CC2)cc1 65625080 OKMLRGQSGMSLQX-UHFFFAOYSA-N 307.353 3.209 0 40 DGAB O=C(C[C@@H]1CCCO1)N1CCCc2cc(OC(F)F)ccc21 65847697 KVFSDPIWNTULTE-LBPRGKRZSA-N 311.328 3.136 0 40 DGAB CCOCCCNC(=O)c1cc(-c2ccc(Cl)cc2)on1 14328844 WTEVFUFMEMIONE-UHFFFAOYSA-N 308.765 3.151 0 40 DGAB COC(=O)CSCc1cccc(NC(=O)c2ccccc2)c1 69583428 JHUQMMGEWMRWDN-UHFFFAOYSA-N 315.394 3.345 0 40 DGAB Cc1cc(C)cc(NC(=O)CCCCC[C@H]2NC(=O)N[C@@H]2C)c1 4783515 LKWUFTVWLVQDEP-GDBMZVCRSA-N 317.433 3.262 0 40 DGAB C[C@@H]1Oc2ccccc2C(=O)N(Cc2ccc(Cl)cc2)C1=O 6755289 HWGVUIFYZALFOP-NSHDSACASA-N 315.756 3.290 0 40 DGAB COc1ccc(CC(=O)NCCCn2ccc3ccccc32)cc1 8719339 HQBGNKLOFHQMIY-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB FC(F)(F)c1cccc2[nH]nc(I)c12 14985965 UZNAFBYLDZTQQK-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB in-vitro O=C(NCc1ccco1)c1cc(-c2ccc(Cl)cc2)[nH]n1 6942270 LHVBAUKOGAIMJE-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB O=c1oc(-c2cccs2)nn1Cc1ccc(F)cc1Cl 15399020 YKLXQAHWPDRELG-UHFFFAOYSA-N 310.737 3.406 0 40 DGAB Cc1ccc(C(=O)Cn2cnc3ccc(Cl)cc3c2=O)s1 7410677 PNTUJJZESCCHEK-UHFFFAOYSA-N 318.785 3.303 0 40 DGAB Cc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)c(C)c1 15860719 JIOYSVKPTVKPQS-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB CCN1CCN(c2ccc(NC(=O)CC3CCCC3)cc2)CC1 7719206 ISJKCQDFGYZBBD-UHFFFAOYSA-N 315.461 3.347 0 40 DGAB COC(=O)c1sccc1NC(=O)CCc1ccccc1OC 8982709 XNZBQVLBFHWVSA-UHFFFAOYSA-N 319.382 3.115 0 40 DGAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccccc1OCC1CC1 97048707 XAGJFPKUURYPAB-QWHCGFSZSA-N 304.390 3.117 0 40 DGAB CO[C@@]1(C)C[C@@H](NC2CCN(CCC(F)(F)F)CC2)C1(C)C 96003178 RNYRMBAMRMJLRG-HIFRSBDPSA-N 322.415 3.196 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2c(F)cc(Cl)cc2F)[C@H]1C 97048854 YBFDTQPCTWDETA-YUMQZZPRSA-N 304.724 3.259 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736487 BYKDDIJYKRWSCA-JTQLQIEISA-N 320.776 3.337 0 40 DGAB O[C@H](CNc1ncc(C(F)(F)F)cc1Cl)C(F)(F)F 78886521 MSJDNQUGSJZKBR-ZCFIWIBFSA-N 308.609 3.089 0 40 DGAB CSc1cc2c(cc1NC(=O)N1CCC[C@@H](C)C1)OCCO2 71853997 BRFFKPYRUHMDKU-LLVKDONJSA-N 322.430 3.444 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2noc3ccccc23)cc1OC 9667569 DJGQSLMMPVPJIL-CSKARUKUSA-N 324.336 3.497 0 40 DGAB biogenic COc1cccc(Cl)c1CC(=O)N(C)c1c(C)noc1C 97142263 GDFWNWIAUCMPKB-UHFFFAOYSA-N 308.765 3.159 0 40 DGAB CC(C)(C)c1nnc(NCCCOCC2CCOCC2)s1 95428498 IMKUJZIRHCSQBA-UHFFFAOYSA-N 313.467 3.081 0 40 DGAB CSCC[C@H](C)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984001 IOXUKNPMXVWZED-GXFFZTMASA-N 310.467 3.015 0 40 DGAB Cc1cc(N(C)[C@@H](C)c2cccnc2)nc(-c2ccccn2)n1 75138125 PLQMYTAIVRQBEY-AWEZNQCLSA-N 305.385 3.439 0 40 DGAB O=C(Cn1ccnc1)N(Cc1cc(F)ccc1F)C1CCCC1 89768484 SJBOPLPMXQDZOC-UHFFFAOYSA-N 319.355 3.133 0 40 DGAB COc1ccc(NC(=S)Nc2ccc3ncncc3c2)cc1 408976255 QAPOXHFIQIMTKL-UHFFFAOYSA-N 310.382 3.447 0 40 DGAB CCCN1C(=O)S/C(=C/c2cc(OC)ccc2OC)C1=O 409237084 IPKSECBWOZFRMV-UKTHLTGXSA-N 307.371 3.150 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc(C(F)(F)F)n[nH]1 28237475 DHKCHCPIJIWIFZ-UHFFFAOYSA-N 303.671 3.012 0 40 DGAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1C 408674518 ZYGFPUZIEQPKKB-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)N1CCc2ccccc21 219555856 ZYIQLTPRAVSJLX-INIZCTEOSA-N 311.381 3.442 0 40 DGAB CN1CCC(CC(=O)Nc2cccc(C(F)(F)F)c2)CC1 74921026 YFHKKWWJDDZSDP-UHFFFAOYSA-N 300.324 3.376 0 40 DGAB CC(C)Oc1ccc2ccccc2c1CN1CCS(=O)CC1 72608165 QUJDURQTYBGLPB-UHFFFAOYSA-N 317.454 3.191 0 40 DGAB O=C(NC(=O)c1ccc(Br)o1)Nc1ccccc1 3848509 UIQJWNWNSBRUNX-UHFFFAOYSA-N 309.119 3.004 0 40 DGAB biogenic Oc1cc(C(F)(F)C(F)(F)F)n2c(n1)nc1ccccc12 36621293 OAAQGUPUAVDMGY-UHFFFAOYSA-N 303.190 3.242 0 40 DGAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@@H]1CCCN1 32232121 TUANARVBQKQAAK-KRWDZBQOSA-N 314.360 3.095 0 40 DGAB CN(Cc1ccc(CCC(C)(C)O)cc1)C[C@H]1CCCCO1 72438245 ZNKIKZJUIZNXRB-GOSISDBHSA-N 305.462 3.391 0 40 DGAB CCn1c(SCc2nc(C)oc2C)nnc1-c1ccco1 521395081 FULMDOXNBFEWDG-UHFFFAOYSA-N 304.375 3.455 0 40 DGAB Clc1ccc(CCCN2CCN(C[C@H]3CCCO3)CC2)cc1 77247339 XMXKIDPWVYESEK-GOSISDBHSA-N 322.880 3.069 0 40 DGAB Cc1cc(C)cc(OCC(=O)N2C[C@H](C)Oc3ccccc32)c1 41155717 VKBDEYMVHMWFKW-HNNXBMFYSA-N 311.381 3.496 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)N[C@@H](C)CC 225554678 SAYRELXAPYOMMJ-DOTOQJQBSA-N 318.461 3.427 0 40 DGAB CCOC(=O)c1ccccc1NC1=CC(=O)N(c2ccccc2)C1 227163568 PTKDRGKZJVAVRE-UHFFFAOYSA-N 322.364 3.206 0 40 DGAB CC(C)(C)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 42630746 ZSPJDIYQCFFDHH-QGZVFWFLSA-N 324.424 3.463 0 40 DGAB CC(=O)c1ccc(Oc2ncnc3c2cnn3C)c(Cl)c1 195566477 NLIGLOKDKHIHBL-UHFFFAOYSA-N 302.721 3.012 0 40 DGAB CCc1ncc(CN(C)C(=O)[C@H](C)Sc2ccccn2)s1 84975290 LLFZHGBYIZHXSF-NSHDSACASA-N 321.471 3.240 0 40 DGAB C[C@H]1Cc2ccc(N)cc2N1S(=O)(=O)c1ccc(Cl)cc1 225328339 PSBGXPZLSYHPHL-JTQLQIEISA-N 322.817 3.062 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC(C)(C)C 223222303 IUTUESVOURHWBF-MRXNPFEDSA-N 318.461 3.427 0 40 DGAB CC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1C(=O)OC 225788887 VPTBMBGSBVVJSX-LLVKDONJSA-N 323.389 3.014 0 40 DGAB Clc1ccc(N2CCC(NCc3ccncc3)CC2)cc1 195571707 LSUOTKLTURBMHY-UHFFFAOYSA-N 301.821 3.494 0 40 DGAB Cc1nscc1C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 97237525 XPOJGBXBDFLKKC-JKSUJKDBSA-N 316.426 3.319 0 40 DGAB O=C(Nc1ccc(Cl)cc1Cl)c1cc2n(n1)CCCO2 90583691 PZUOKAATMKZSCJ-UHFFFAOYSA-N 312.156 3.225 0 40 DGAB CCOc1cc(Cl)ccc1C(=O)N(C)Cc1nccs1 97233553 DONYHPVZURXAKP-UHFFFAOYSA-N 310.806 3.467 0 40 DGAB CC(C)n1nc(CN(C)C)c2c1CN(Cc1ccccc1)CC2 96255936 VYXOKXXKGOQUIR-UHFFFAOYSA-N 312.461 3.084 0 40 DGAB CCCc1ncc(C(=O)N[C@@H](CC(=O)O)c2cccs2)s1 96479628 IGFTUZLPSSEFST-VIFPVBQESA-N 324.427 3.103 0 40 DGAB Cc1cncc(N(Cc2ccc(F)cc2)C(=O)c2ccnn2C)c1 252478680 ASEZNZIRRIXJBP-UHFFFAOYSA-N 324.359 3.110 0 40 DGAB CN1CCC[C@H](c2cccc(C(=O)N3CCC=C(F)C3)c2)C1 585089525 UQGOXXNYYAWFTI-INIZCTEOSA-N 302.393 3.195 0 40 DGAB CCN(C)[C@@H](c1ccccc1)c1nc(-c2ccc(OC)nc2)no1 252480693 CDATZKKYWBFUBH-INIZCTEOSA-N 324.384 3.181 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc(C)cc2Cl)cn1 43188126 IVLJLZLCNLZROS-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 263519394 GKNVMUBNWPDULP-CYBMUJFWSA-N 311.328 3.484 0 40 DGAB O=C(NC1CCN(c2ccnc3ccsc23)CC1)C1CCC1 361831238 QUFDPAMSOFVMMK-UHFFFAOYSA-N 315.442 3.181 0 40 DGAB CCn1ncc(Cl)c1-c1nc(Cc2ccccc2OC)no1 621784142 KMZYUSCVDZNVTP-UHFFFAOYSA-N 318.764 3.206 0 40 DGAB Cc1cc([C@@H](C)NC(=O)NC[C@H]2CCOC2(C)C)ccc1F 660816557 WBHJMPBOSNOEMB-TZMCWYRMSA-N 308.397 3.309 0 40 DGAB Cc1nc(CSc2nccn2Cc2ccccn2)oc1C 71903278 IOVPVZBYLFQEGR-UHFFFAOYSA-N 300.387 3.224 0 40 DGAB Fc1cccc(C[C@@H]2CCCN2c2cc(-n3ccnc3)ncn2)c1 77191958 NXGCJIFSRAGHFZ-INIZCTEOSA-N 323.375 3.013 0 40 DGAB Cc1noc(CCCc2nc(-c3cc4ccccc4o3)no2)n1 88339816 XZTRVGXSSUZLDW-UHFFFAOYSA-N 310.313 3.350 0 40 DGAB CN(C[C@H]1CCC[C@@H]1O)c1ncc(C(F)(F)F)cc1Cl 95974255 MWYUASCPIUPPFT-KCJUWKMLSA-N 308.731 3.351 0 40 DGAB CCOC(=O)c1cnc2c(C(F)(F)F)cc(F)cc2c1O 103289228 CPJGVCBSLAQIDM-UHFFFAOYSA-N 303.211 3.275 0 40 DGAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 6033581 LGPUFMUNOIMBHS-HDYLRELMSA-N 315.413 3.326 0 40 DGAB c1ccc2c(c1)CN(Cc1ccncc1)CC1(CCOCC1)O2 12088437 VBFRACBKLFRXEV-UHFFFAOYSA-N 310.397 3.025 0 40 DGAB COc1ccc(/C=C/C2=CCN(C)CC2)cc1Cn1cccn1 12143037 GJMUGZJKOKRYHP-SNAWJCMRSA-N 309.413 3.215 0 40 DGAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccc(F)cc1 13085269 VBHRWIRQXCNYFA-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB O=C(O)c1ccc(Cl)c(NC(=O)c2cccnc2Cl)c1 13167564 JNTMCISKCUOLRV-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB Cc1ccc2cc(CNCc3cccs3)c3nnnn3c2c1C 13998112 UKOFNXOSBCAODT-UHFFFAOYSA-N 323.425 3.246 0 40 DGAB Cc1cccc(N2C[C@](O)(c3cccs3)[N+]3=C2CCCC3)c1 15962357 NICSZXCBKFPDHL-SFHVURJKSA-N 313.446 3.317 0 40 DGAB COCCCN(Cc1ccc(OC)cc1)Cc1ccccn1 19593261 HQMVTTVXVYREHU-UHFFFAOYSA-N 300.402 3.129 0 40 DGAB O=c1/c(=C\c2ccc(Cl)s2)sc2nc3ccccc3n12 5595245 MPUXXECDGLXKBI-YRNVUSSQSA-N 318.810 3.172 0 40 DGAB Oc1cc(-c2cc[nH]n2)nc(N[C@@H]2CCCc3ccccc32)n1 100223846 DBJZZGODENNTJY-CYBMUJFWSA-N 307.357 3.062 0 40 DGAB CC(=O)N[C@H](CC(=O)N(C)C1CCCCC1)c1cccs1 26956997 ALVHVNUWXKQLQQ-CQSZACIVSA-N 308.447 3.107 0 40 DGAB CCC[C@@](C)(NC(=O)c1cccc(Cl)c1Cl)C(=O)OC 35220975 FUPAOJFTFNDHGZ-CQSZACIVSA-N 318.200 3.455 0 40 DGAB Cn1c([C@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033422 KBBMLXQSQIFZFK-LBPRGKRZSA-N 309.344 3.233 0 40 DGAB CCOC(=O)C[C@@H](C(=O)OCC)c1c(C)[nH]c2ccccc12 4093746 KELBHUNNZFYPRI-CYBMUJFWSA-N 303.358 3.076 0 40 DGAB CCCNC(=O)c1cnn(-c2cc(C)cc(C)c2)c1-n1cccc1 22577394 NIIULFGNGKXQPL-UHFFFAOYSA-N 322.412 3.420 0 40 DGAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 1775965817 LCRXNKITGNBIKP-ROUUACIJSA-N 322.408 3.122 0 40 DGAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)c1cccs1 206715385 CVORYWHMUAVJIT-CYBMUJFWSA-N 309.818 3.184 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N1CCCCc2ccccc21 40133912 GGDWJRKLWDVWLY-UHFFFAOYSA-N 323.392 3.370 0 40 DGAB CCCc1n[nH]c(=S)n1CC(=O)Nc1cccc(Cl)c1C 40488821 SFGQGBIPBCQNQO-UHFFFAOYSA-N 324.837 3.494 0 40 DGAB CN(C(=O)COC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 51356262 RRUWAKWZPFGDJN-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB CC(=O)Nc1cc(NC(C)=O)cc(-c2nc3ccccc3[nH]2)c1 237549 IQYLSCVPLYXDDQ-UHFFFAOYSA-N 308.341 3.147 0 40 DGAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)NC(C)C 69528149 VERSXBMJVOJEPF-UHFFFAOYSA-N 308.332 3.048 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c(C)n1C(C)C 69571199 XQJJNEFLKFVWQZ-MSOLQXFVSA-N 317.477 3.385 0 40 DGAB CC(C)C(=O)NC(=S)Nc1cc(Cl)c(O)c(Cl)c1 569132 RRNFZJHMICPBNN-UHFFFAOYSA-N 307.202 3.168 0 40 DGAB COc1ccc(CCC(=O)N2CCc3ccccc32)cc1OC 2616490 LYRDZSKVTNTNRA-UHFFFAOYSA-N 311.381 3.226 0 40 DGAB O=C(c1cc(F)ccc1Nc1ccccc1)N1CCOCC1 1865993 RGKRQWOKXPRECM-UHFFFAOYSA-N 300.333 3.042 0 40 DGAB CCCCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1 3893910 KQXDQZVSNYALMP-UHFFFAOYSA-N 320.414 3.370 0 40 DGAB CCN(C(=O)N[C@H](C)Cn1ccnc1)[C@H](C)c1ccc(F)cc1 69621505 JOKDKYZHBJPDDS-ZIAGYGMSSA-N 318.396 3.203 0 40 DGAB C[C@H]1CC=CC[C@H]1COC(=O)C(=O)OC[C@@H]1CC=CC[C@H]1C 4578668 HKCVPIRKQKHQSU-FZKCQIBNSA-N 306.402 3.277 0 40 DGAB CCN1CC[C@@](O)(c2ccccc2)[C@H](C(=O)c2ccccc2)C1 4952823 HGHSAQKKTCGYPM-AZUAARDMSA-N 309.409 3.099 0 40 DGAB CSc1nc2sc3c(c2c2nnc(C)n12)CC(C)(C)OC3 495568 LFHBHOUKAYXJLR-UHFFFAOYSA-N 320.443 3.221 0 40 DGAB CC(C)c1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C 413074 OVWLPVUCMWBZGK-UHFFFAOYSA-N 324.837 3.323 0 40 DGAB CCOc1c(Cl)cc(Cl)cc1CNCCCN(C)C 8253415 OWFAFFLJLFDWTI-UHFFFAOYSA-N 305.249 3.433 0 40 DGAB NC(=O)SCC(=O)Nc1ccc(Oc2ccccc2)cc1 550172 FRPQAIBTJHOPKZ-UHFFFAOYSA-N 302.355 3.229 0 40 DGAB C[C@@H](c1ccccc1F)N(C)CC(=O)N1CCc2ccccc21 52073539 YHSYXRCRYTWXDH-AWEZNQCLSA-N 312.388 3.408 0 40 DGAB CCOc1cccc(NC(=O)COc2ccccc2OC)c1 9816563 FDINTDBUKGMZKU-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB CCS(=O)(=O)c1ccc(N2CCCc3ccccc32)cc1N 42783787 FBFFSNXFHRJUPT-UHFFFAOYSA-N 316.426 3.147 0 40 DGAB COCc1cccc(C(=O)NCc2nc3ccccc3s2)c1 24588661 ZOBFPXSFFUVFLP-UHFFFAOYSA-N 312.394 3.373 0 40 DGAB CCn1ccnc1[C@H]1Nc2ccccc2C(=O)N1CC(F)(F)F 69780082 GGTKDECWKRNTKE-ZDUSSCGKSA-N 324.306 3.032 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2Cn2cccn2)oc2ccccc12 69771211 FGBNQAIPWNMWPM-AWEZNQCLSA-N 309.369 3.243 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)s1 69774743 OOYZJWGLAYVTJB-CQSZACIVSA-N 303.431 3.347 0 40 DGAB Cc1ccc(CSCCNc2cc(C)nc3ncnn23)cc1 25371652 NSZVXPVHGZOXOJ-UHFFFAOYSA-N 313.430 3.086 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)n[nH]1 76059821 RSNKEVHDFWHCRT-AWEZNQCLSA-N 301.390 3.256 0 40 DGAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)NC2CCCCC2)cc1C 22540467 DOVLMSKKYIMYAX-HNNXBMFYSA-N 316.445 3.238 0 40 DGAB COC(=O)C1(NC(=O)c2cnc(C(C)(C)C)s2)CCCCC1 108985333 DDBZLWCZBJLWEG-UHFFFAOYSA-N 324.446 3.046 0 40 DGAB CC(=O)Nc1nc(C(=O)N(Cc2ccc(C)o2)C(C)C)cs1 58208791 PXZAVARWSHYXPC-UHFFFAOYSA-N 321.402 3.054 0 40 DGAB COc1nc(C(=O)Nc2ccnn2C(C)C)cc2ccccc12 58267899 SXIZWDPECZZLST-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB CCCN(CCC)C(=O)[C@]12CCC(=O)N1c1ccccc1S2 58592019 ZOGZJUQLGJDSPK-QGZVFWFLSA-N 318.442 3.264 0 40 DGAB C[C@@]1(CCC(=O)O)C(=O)CC[C@H]2[C@@H]1CC[C@]1(C)[C@H]2CC[C@@]1(C)O 61895131 UYMHYRPSWIDDSO-RHKYWUDLSA-N 322.445 3.414 0 40 DGAB O=C(c1ccco1)N(Cc1ccccc1F)C[C@@H]1CCCO1 28250897 KOXVEXCNSXBEIX-AWEZNQCLSA-N 303.333 3.240 0 40 DGAB CNc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1C 3350935 CUNDJYDYGXQAFM-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB C[C@H]1CCc2sc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C1 3347205 KHQALSWMYHEWOW-JTQLQIEISA-N 314.410 3.224 0 40 DGAB CC(=O)c1ccc(/N=c2/scc(C)n2C[C@H]2CCCO2)cc1 3336336 YVULFIRAOJPNBV-JHHGQVAESA-N 316.426 3.472 0 40 DGAB CC1(C)C(=O)N(CC(=O)NC2CCCC2)c2ccc(Cl)cc21 64659481 KQSHVUXVNYNJAU-UHFFFAOYSA-N 320.820 3.023 0 40 DGAB CC[C@@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2541568 JJVATGCCSPHKKV-ZDUSSCGKSA-N 311.381 3.296 0 40 DGAB O=C(Cn1cnc2ccccc21)NCCc1ccc(Cl)cc1 5191055 VZPWPTIDENEIIN-UHFFFAOYSA-N 313.788 3.049 0 40 DGAB CC(C)[C@@H](C)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 14163673 JQSKVVXPBLJRTM-CYBMUJFWSA-N 315.417 3.205 0 40 DGAB COc1ccc(-c2c(N)nnc3c(-c4ccccc4)cnn23)cc1 409418127 UAEUJSYEJMTABM-UHFFFAOYSA-N 317.352 3.049 0 40 DGAB CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 65606645 CQUKWSMDVGTUJA-QWRGUYRKSA-N 323.824 3.209 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)c1 4557509 NRWJTBVFWKMANX-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB COc1ccccc1COC(=O)c1cc(OC)c(C)c(OC)c1 24669014 ZDGIBQFNSINSMA-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB COC(=O)[C@H](N[C@H](C)c1ccc(Cl)s1)c1cccnc1 92856718 QHZHQFKDEJFDIA-NOZJJQNGSA-N 310.806 3.361 0 40 DGAB O=C(N[C@@H]1CN2CCC1CC2)c1ccc(Oc2ccccc2)cc1 5938505 INQFYMZPQQUPIU-LJQANCHMSA-N 322.408 3.303 0 40 DGAB CCCNc1nc(-c2c[nH]c(C(=O)N3CCCC3)c2)cs1 15453805 IQLICIUFNSJXSZ-UHFFFAOYSA-N 304.419 3.196 0 40 DGAB COCCCNC(=O)[C@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344950 OHNFSBKFOFLZBW-OLZOCXBDSA-N 302.201 3.250 0 40 DGAB COC[C@H](C)NC(=S)NC(c1ccccc1)c1ccccc1 16182695 SVPXAXUGDYKSNZ-AWEZNQCLSA-N 314.454 3.275 0 40 DGAB COc1cccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC 7886292 SNJHQQFGRFVROV-SFHVURJKSA-N 324.380 3.433 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 22344858 SIUJNOCWFPLAOQ-FSHMZSNGSA-N 323.396 3.191 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)s1 9225645 NXGZTUVXUFHWBE-ZETCQYMHSA-N 314.461 3.039 0 40 DGAB c1ccc(-c2nc(CSc3nnnn3C3CC3)cs2)cc1 8231433 RLNDNFKGLNIOKU-UHFFFAOYSA-N 315.427 3.424 0 40 DGAB O=C(NCC[C@H]1CCCCO1)NC1CCC(C(F)(F)F)CC1 96002087 WBKFDTFVXOELLS-WXRRBKDZSA-N 322.371 3.366 0 40 DGAB Cc1cn2c(/C=C/c3nc4ccccc4[nH]c3=O)c(C)nc2s1 9834576 QNRXARRBQHKNGC-BQYQJAHWSA-N 322.393 3.420 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)NCCCc2ccc(O)cc2)C1 96462971 FLHXUXPFSHUSEK-ZBFHGGJFSA-N 322.474 3.250 0 40 DGAB O=C(NCCC1=CCCCC1)NCc1nnc(-c2ccco2)o1 9516741 MFXQBNJWZAIZGR-UHFFFAOYSA-N 316.361 3.019 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C)c3ccccc32)cc1 71977044 XHPQWZPNUJFHJS-GFCCVEGCSA-N 315.394 3.202 0 40 DGAB COC(=O)c1cc(-c2coc3cc(O)c(C)cc3c2=O)c(C)o1 26571849 UDACJUQYUCINSS-UHFFFAOYSA-N 314.293 3.162 0 40 DGAB O=C(OCCc1cccs1)[C@@H]1CC(c2cccc(F)c2)=NO1 84372129 STYUNQZLYSANKZ-HNNXBMFYSA-N 319.357 3.166 0 40 DGAB O=C(NCCNc1ccncc1Cl)c1ccccc1Cl 84500160 KUVDWGVKLIFILQ-UHFFFAOYSA-N 310.184 3.230 0 40 DGAB CCN(c1ccc(C(=O)NCc2c(C)noc2C)cc1)C(C)C 84777618 AQGUWOHUEZGVSY-UHFFFAOYSA-N 315.417 3.456 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413413 JBFSMOKKJNXOLM-BZPMIXESSA-N 322.430 3.084 0 40 DGAB C[C@@H](CS(C)(=O)=O)NC[C@H](C)c1c(Cl)cccc1Cl 95985005 QMGNNEWPOKDKFS-UWVGGRQHSA-N 324.273 3.120 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)o1 75126636 BLJJQLUPCFWSFP-CYBMUJFWSA-N 322.405 3.060 0 40 DGAB Cc1cnc(CN(C)[C@H]2CCN(CCCc3ccccc3)C2)o1 89702286 YATSBHYHBUAXLK-SFHVURJKSA-N 313.445 3.122 0 40 DGAB CCN(Cc1ccccn1)C(=O)N[C@@H](c1ccccn1)C(C)C 89969300 WTCCOADPYMCJMM-QGZVFWFLSA-N 312.417 3.405 0 40 DGAB C[C@@H]1CN(Cc2cccc(NCc3cscn3)c2)C[C@@H](C)O1 89936706 NJUFFMOQJLMUHR-ZIAGYGMSSA-N 317.458 3.364 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@@H]2C(=O)Nc2ccccc2)cc1 24985404 HUGAVSBQADZGEP-GOSISDBHSA-N 322.408 3.492 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@@H](O)c2ccc(C)cc2)cc1 31098422 HMBYJVYITZMBSF-QGZVFWFLSA-N 312.369 3.053 0 40 DGAB CCc1noc(-c2cccc(NC(=O)Cc3ccccc3)c2)n1 33012825 HSKSFSMFLSNDBU-UHFFFAOYSA-N 307.353 3.480 0 40 DGAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@H]1c1cccc(C)c1 32812838 XNLJDZLSUTYDBQ-INIZCTEOSA-N 316.401 3.164 0 40 DGAB CCn1c(SCc2cccc(C)c2)nnc1-c1cnn(C)c1 32604360 QQAOJLVMKCERKW-UHFFFAOYSA-N 313.430 3.299 0 40 DGAB COc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1F 77680869 QGMTVPICBCVHJP-OAHLLOKOSA-N 318.348 3.080 0 40 DGAB CCOC(=O)N[C@H](CNC(=O)c1ccc(C)cc1C)CC(C)C 31705092 VHFRPVQGJMCRBT-HNNXBMFYSA-N 320.433 3.194 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2C)cc1C 32585509 SYTJTDARVRVPTB-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78403824 KUVHPPVKPUXFSB-LBPRGKRZSA-N 302.399 3.152 0 40 DGAB CCOC(=O)CC(=O)c1cc2cc(OC)c(OC)cc2s1 216699053 ILVCLFNAQUODEA-UHFFFAOYSA-N 308.355 3.054 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 32477416 ZYAKEUYFDUQYTO-GJZGRUSLSA-N 313.397 3.478 0 40 DGAB Cc1ccc(NC(=O)c2coc(NC(=O)C3CCC3)n2)cc1F 75172295 RQKLVUQJIDVXNQ-UHFFFAOYSA-N 317.320 3.113 0 40 DGAB CC(C)N(C(=O)[C@@H]1CC[C@@H](NC(=O)OC(C)(C)C)C1)C1CC1 75198003 LIQOYYZWVUUFTJ-CHWSQXEVSA-N 310.438 3.079 0 40 DGAB COc1cccc([C@H]2CCCN2Cc2cc(C(=O)O)co2)c1 567279918 GWJYQGYPWSOXBZ-MRXNPFEDSA-N 301.342 3.324 0 40 DGAB O=C(Cc1ccon1)N1CC=C(c2ccc(Cl)cc2)CC1 81677424 LFQRCWLBZBRUGK-UHFFFAOYSA-N 302.761 3.186 0 40 DGAB O=C(NCc1ccccc1)c1cnc(-c2ccc(F)cc2)nc1 222610006 ZBZTZQQVHJNNLA-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)C(C)C 222759811 GXVCVSXCRDEATF-MRXNPFEDSA-N 318.461 3.366 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)CC[C@H]2CCCO2)o1 81345927 GNYYEQPSRMGYGJ-ZIAGYGMSSA-N 309.431 3.164 0 40 DGAB O=C(c1cccc(-n2cccn2)n1)N(CC1CC1)c1ccccc1 84243605 YKXGTFZYTIUUPV-UHFFFAOYSA-N 318.380 3.324 0 40 DGAB COCc1nnc(-c2cccc(C(=O)N(C)CC(C)(C)C)c2)o1 96493973 FKVUPCWSZCHNQY-UHFFFAOYSA-N 317.389 3.001 0 40 DGAB O=C(Nc1cccc(F)c1)c1ccc(=O)n(-c2ccccc2)c1 96192048 LOVKVFBZQOXRGO-UHFFFAOYSA-N 308.312 3.229 0 40 DGAB Cc1nnc(SCC[C@@H]2CCOC2=O)n1[C@@H]1CCC[C@@H](C)C1 96485310 BEPQOCZPHIDQKG-KWCYVHTRSA-N 323.462 3.383 0 40 DGAB C[C@H]1C[C@H](Sc2nnc(-c3ccc(Cl)s3)o2)C(=O)O1 96422241 VMKWUUZYQDTRDQ-FSPLSTOPSA-N 316.791 3.248 0 40 DGAB C[C@H](SCCS(C)(=O)=O)c1ncc(-c2ccccc2)o1 96411552 ZIVZKGRNFCSTCK-NSHDSACASA-N 311.428 3.180 0 40 DGAB COC(=O)[C@H](C)Nc1cccc(NC(=O)C2CCCCC2)c1 96455530 BUJJSTQBZSZVJN-LBPRGKRZSA-N 304.390 3.179 0 40 DGAB CSC[C@@H](NC(=O)CCc1ccncc1)c1ccccc1 96412773 YAIYUUXXECMCMT-MRXNPFEDSA-N 300.427 3.235 0 40 DGAB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccc(Br)cc1 95095940 SETIOMOERBJLLR-NXEZZACHSA-N 311.097 3.468 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)CCc2c(C)nn(C)c2C)C1 96451500 FVQHKMAGGRNKDS-LSDHHAIUSA-N 323.506 3.150 0 40 DGAB C1CCC([C@H](NC2CCN(C[C@@H]3CCOC3)CC2)C2CC2)CC1 97238626 YIVQIFUZJORSTP-JXFKEZNVSA-N 320.521 3.436 0 40 DGAB COc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1OC(F)F 9466341 NRMHHKWEQOZEFS-AWEZNQCLSA-N 320.295 3.151 0 40 DGAB Cc1ccnc(-c2ccc(NC(=O)NCc3cccnc3)cc2)n1 96406724 ZWSGTXJTUMHGIT-UHFFFAOYSA-N 319.368 3.169 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](C(=O)C[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 253617104 FJZKBPUBWKYMHG-MZRPDXSTSA-N 302.414 3.346 0 40 DGAB O=C(c1ccoc1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 253401365 MSXIRVSYMRAMHV-SNVBAGLBSA-N 315.354 3.021 0 40 DGAB CC(C)[C@H]1OCCC[C@@H]1CNC(=O)Nc1ccn(C(C)C)n1 280647046 BTKAQDVWCKMZGA-UKRRQHHQSA-N 308.426 3.037 0 40 DGAB CO[C@H]1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1 96122413 ATDRJHQMLSZENQ-HNNXBMFYSA-N 300.358 3.147 0 40 DGAB c1ccc(CNCc2nc([C@@H]3CCCSCC3)no2)cc1 575415028 JSQODDCRVKVUAB-CQSZACIVSA-N 303.431 3.360 0 40 DGAB Cc1ccc(NC(=O)c2ncnc(C)c2C)c(Br)c1 1889125182 GAJIGSMWSBYZEW-UHFFFAOYSA-N 320.190 3.417 0 40 DGAB FC(F)(F)c1ccc2nnc(SC[C@H]3CCCCO3)n2c1 55402110 BIKDGAHNJAMSOI-SNVBAGLBSA-N 317.336 3.409 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(Oc2ccncc2)cc1 69810954 RRVNMIFFFIPLKI-GFCCVEGCSA-N 301.346 3.030 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)[C@H](C)Oc2ccccc2)s1 79737964 ZWLCJBJONQAKQT-LBPRGKRZSA-N 304.415 3.270 0 40 DGAB CCN1C(=O)Nc2ccc(Cl)cc2[C@@]1(O)c1ccccc1 5807711 BYLRNYNRGXIPPV-INIZCTEOSA-N 302.761 3.401 0 40 DGAB CCn1c2cc(C)sc2c2cnn(Cc3cccnc3)c(=O)c21 12117433 XVWSHKXMKIAQNA-UHFFFAOYSA-N 324.409 3.184 0 40 DGAB COc1ncccc1-c1cc(O)n2nc(-c3cccs3)cc2n1 19594653 KAXCXESTTAMNDM-UHFFFAOYSA-N 324.365 3.234 0 40 DGAB O=C(NCc1nc(C2CCC(F)(F)CC2)no1)C1CCCC1 575616443 LHNMHVRZUHNFHL-UHFFFAOYSA-N 313.348 3.169 0 40 DGAB CC(C)[C@H](NC(=O)CN(C)Cc1ccco1)c1ccccc1 11231002 FXLJDQMCYUFMKP-SFHVURJKSA-N 300.402 3.225 0 40 DGAB O=C(NCC[C@H]1CCCO1)c1ccccc1C(=O)c1ccccc1 29653408 DLCPQMCEPUHMCX-MRXNPFEDSA-N 323.392 3.217 0 40 DGAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2cc(Cl)ccc2F)C1 40107597 USLIWNFTHRLLND-RYUDHWBXSA-N 312.816 3.187 0 40 DGAB O=C(Nc1cccc(-c2nc3ccccc3[nH]2)c1)C1=COCCO1 4136704 AOMWKPSNPIBOGH-UHFFFAOYSA-N 321.336 3.057 0 40 DGAB CC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccs1 5374002 DBUNKRMOHNKKOD-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB CCSc1ccc(CC(=O)Nc2sccc2C(N)=O)cc1 10252517 PXYNNYWXDSZLSV-UHFFFAOYSA-N 320.439 3.140 0 40 DGAB O=C(NCc1n[nH]c(=S)n1C1CCCCC1)c1cccs1 26422213 YVOMTFZEJXOQSN-UHFFFAOYSA-N 322.459 3.437 0 40 DGAB Cc1nc(C)c(CN2CCC(Oc3nccs3)CC2)s1 2086881884 USZYIPPQTFRKFY-UHFFFAOYSA-N 309.460 3.260 0 40 DGAB Fc1cc(Cl)cnc1N1CCC(Oc2nccs2)CC1 2086884396 LORVKYFQPMESQV-UHFFFAOYSA-N 313.785 3.378 0 40 DGAB O=S(=O)(c1ccc2c(c1)CCCC2)N1[C@H]2C=CC[C@H]1CC2 208028993 BZSHKHCXAVNPPS-HOTGVXAUSA-N 303.427 3.047 0 40 DGAB Cn1nccc1[C@H]1CCCCN1C(=O)Cn1ccc2ccccc21 337144316 ZTOJPIGZYPVKCB-GOSISDBHSA-N 322.412 3.129 0 40 DGAB O=C(NC1CCCCCC1)c1ccc(N2CCOC2=O)cc1 40092969 UCRZZTOQQRVDIM-UHFFFAOYSA-N 302.374 3.096 0 40 DGAB CC[C@H]1c2ccsc2CCN1CC(=O)Nc1c(C)n[nH]c1C 50276584 OSXNTYJJLWXWTH-ZDUSSCGKSA-N 318.446 3.036 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](N[C@H](C)c3ccccc3)C2=O)cc1 100865552 IUZKATVGXGGGGI-RDTXWAMCSA-N 322.408 3.232 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)s1 40510739 RCPXXPMCUIJHAA-WDEREUQCSA-N 310.463 3.093 0 40 DGAB CCc1ccc(C(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)o1 40553578 MRFLZQWRKBVHCA-LLVKDONJSA-N 312.369 3.218 0 40 DGAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)s1 101351117 AQULQMCRLFLXAW-LPEHRKFASA-N 305.852 3.116 0 40 DGAB C[C@@]12C[C@@H](NC(=O)N1c1ccc(C(=O)O)cc1)c1ccccc1O2 45918759 LKYVDEVHSWVJOR-RDTXWAMCSA-N 324.336 3.154 0 40 DGAB COc1ccc(N[C@H]2CCN(c3ccccc3)N2C(C)=O)cc1 282717 UIWALXYIVAYDOP-GOSISDBHSA-N 311.385 3.107 0 40 DGAB CCO[C@H]1C(Br)=Cc2ccccc2N1C(=O)OC 1635747 LBJLIIHYNMEQLX-LBPRGKRZSA-N 312.163 3.371 0 40 DGAB CC(=O)Nc1ccc(C2=NC3=Cc4ccccc4O[C@@H]3O2)cc1 3035554 VATKVKPCSACQAX-GOSISDBHSA-N 306.321 3.181 0 40 DGAB C[C@@H]1[C@H]2C[C@H](C3(C)OCCO3)CC[C@]2(C)CCC12OCCO2 4984538 CJQUVXLNJSJHHG-KLHDSHLOSA-N 310.434 3.345 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(F)c(F)c2)c1 8355194 RKLHZKXXXVKRGS-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)Nc2ccccc21 21891798 SPHLCSSGPZYSMY-WFASDCNBSA-N 306.365 3.090 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1cc(-c2cccnc2)on1 46762228 COBZMQZSMQAXOC-UHFFFAOYSA-N 305.337 3.478 0 40 DGAB CCc1nnc([C@@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)o1 76046868 GCGKHRGEJGHFST-DGCLKSJQSA-N 317.437 3.312 0 40 DGAB CN(C)CCNC(=S)Nc1ccc2c(c1)oc1ccccc12 42788577 OTXJTDHWPVHKBQ-UHFFFAOYSA-N 313.426 3.434 0 40 DGAB Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)C1CC1)C2 108535140 YEOFRXHCMMMSTH-UHFFFAOYSA-N 312.457 3.266 0 40 DGAB COc1cccc2cc([C@@H](C)NC(=O)c3cc(C)no3)oc12 25190573 RSFJFFMQKUESTA-SNVBAGLBSA-N 300.314 3.229 0 40 DGAB C[C@H]1CCc2sc(C(=O)Nc3ccnc4ccnn34)cc2C1 76640926 AYHPEWDNEACEKH-JTQLQIEISA-N 312.398 3.168 0 40 DGAB COCCN(Cc1cccs1)C(=O)N[C@@H](C)c1cccnc1 43788733 SGRKCMPVRACWOK-ZDUSSCGKSA-N 319.430 3.062 0 40 DGAB CCc1cc(N[C@@H]2CCCC[C@H]2CO)nc(-c2ccccn2)n1 77209864 VEUDZGMPBSBJAV-DZGCQCFKSA-N 312.417 3.064 0 40 DGAB O=C1NC[C@@H](CSc2ncc(-c3ccccc3)n2C2CC2)O1 69324788 NYUHDIJEPAMQCM-ZDUSSCGKSA-N 315.398 3.086 0 40 DGAB O=C(NCCOc1ccc(Cl)cc1)c1ccc2[nH]cnc2c1 12556486 BMVRHYPVSPEHFO-UHFFFAOYSA-N 315.760 3.025 0 40 DGAB COc1ccc(NC(=O)c2ccc(Br)o2)cc1F 44318020 IBESCEQCRJKPDI-UHFFFAOYSA-N 314.110 3.442 0 40 DGAB Cc1ccc(NC(=O)c2cc(-c3csc(C)n3)cn2C)nc1 78796896 RJDNZJUZLCJRDL-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCN(Cc1ccc(OC)c(F)c1)C(=O)Nc1cccnc1 44889871 XHSABEKOOIZDNG-UHFFFAOYSA-N 303.337 3.283 0 40 DGAB NC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10222020 MFLUSVJGNICQJS-UHFFFAOYSA-N 323.396 3.029 0 40 DGAB C[C@H](NC(=O)[C@H]1CC=CCC1)c1nc(-c2ccc(F)cc2)no1 58279596 UBLWQGIKFNHNNF-AAEUAGOBSA-N 315.348 3.409 0 40 DGAB CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C)cc2)NC(=S)N1 23987983 YUFKEMVQOCKMDJ-OAHLLOKOSA-N 318.442 3.131 0 40 DGAB CC(C)N1CC[C@@H](CNC(=O)Nc2ccc(Cl)cc2F)C1 58316049 FUIPFOBXZMMVEV-NSHDSACASA-N 313.804 3.331 0 40 DGAB Cc1cc(OCC(=O)n2cccc/c2=N\C(C)C)ccc1Cl 10798596 NLXBCSQCDWGYLI-KNTRCKAVSA-N 318.804 3.478 0 40 DGAB NC(=O)Nc1ccc(C(=O)OCc2cccc3cccnc23)cc1 11378080 ONAUPNLEMBBLDV-UHFFFAOYSA-N 321.336 3.082 0 40 DGAB COCCNC(=O)c1cccnc1Sc1ccc(Cl)cc1 12768954 OMGCIMWIMNZJRP-UHFFFAOYSA-N 322.817 3.262 0 40 DGAB CC(=O)CCc1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 3486651 JHIHAKSGOJGXCV-KDOFPFPSSA-N 317.429 3.282 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 3601783 HYEUDAVQPJXNQB-VIFPVBQESA-N 322.459 3.365 0 40 DGAB CCc1sc(C(=O)OCC(=O)NCc2cccs2)cc1C 13105511 DQWUGQRCQPHSEF-UHFFFAOYSA-N 323.439 3.154 0 40 DGAB Cc1nc(C(=O)N(C)[C@H](C)C2CC2)nn1-c1ccccc1Cl 63929730 ODXMOHBIBOGYDC-SNVBAGLBSA-N 318.808 3.100 0 40 DGAB Cc1nn(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)O)c12 4294509 RMLVJZYHWNWIBO-UHFFFAOYSA-N 301.733 3.295 0 40 DGAB COC(=O)C1=C(C)N=C2SCCN2[C@H]1c1ccc(Cl)cc1 4342664 NDMAOSKFWZTELJ-ZDUSSCGKSA-N 322.817 3.247 0 40 DGAB CCc1c(CO)c2cc(OC)ccc2n1C(=O)OC(C)(C)C 26897067 YSPBDIPKSXBZSH-UHFFFAOYSA-N 305.374 3.488 0 40 DGAB c1ccc(-c2nnc(OCc3ccc4c(c3)OCCO4)o2)cc1 65845347 IDCYDBYTYDJSPG-UHFFFAOYSA-N 310.309 3.087 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)Sc1cccc[n+]1[O-] 5780144 QVMKZQCMJSLGRE-LBPRGKRZSA-N 312.394 3.473 0 40 DGAB CS[C@H]1CCC[C@H]1NC(=O)NC(C)(C)c1ncc(C)s1 80155064 WXKVDSXOROPWGI-MNOVXSKESA-N 313.492 3.270 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1ccc(-n2cccc2)cc1 408566303 FSKHYPUHAXNTGP-UHFFFAOYSA-N 307.353 3.092 0 40 DGAB C[C@@H]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)nc2)C1 68212354 SECNOVHVWTZXLU-BFYDXBDKSA-N 324.428 3.308 0 40 DGAB Cc1cccc2nc(CNC(=O)CSc3ccccc3)cn12 68571118 WMZFMLCZTZCXPL-UHFFFAOYSA-N 311.410 3.051 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccc(Cl)cc1 7863513 XYALOWZSCBUZGR-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB C[C@@H]1CCc2ccccc2N1CC(=O)N1CCc2ccccc2C1 16339083 VUCGBJXANSTHCY-MRXNPFEDSA-N 320.436 3.413 0 40 DGAB CCOC(=O)CCC(=O)Nc1ccc(Br)cc1C 7964655 QGJPMGSFDOCPMA-UHFFFAOYSA-N 314.179 3.039 0 40 DGAB CCCN(CCC)CC(=O)NCCc1nc2ccccc2s1 96969516 MXEKBWGNEVERRW-UHFFFAOYSA-N 319.474 3.077 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)NCc2ccc(C)s2)n1 96013775 NTYXHRHLAABRCK-VIFPVBQESA-N 309.460 3.424 0 40 DGAB CC(C)Cc1cc(-c2nn3c(C(C)(C)C)nnc3s2)[nH]n1 9421311 RXOHCGCVJWDFFE-UHFFFAOYSA-N 304.423 3.072 0 40 DGAB NC(=O)c1cccc(NC(=O)Cc2c(Cl)cccc2Cl)c1 9482968 NHTLYNCOJGXEHW-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB FC(F)(F)Oc1cccc(CNC2CCN(C3CC3)CC2)c1 71794742 RYYBCSQHQICUCX-UHFFFAOYSA-N 314.351 3.302 0 40 DGAB COCc1cc(C(=O)Nc2ccc(Nc3ccccc3)nc2)no1 96430813 PVGRTCCCPZSORN-UHFFFAOYSA-N 324.340 3.212 0 40 DGAB CCN(C(=O)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccncc1 96425161 VFJQNUHYCHXGOO-HZPDHXFCSA-N 324.380 3.009 0 40 DGAB c1ccc2c(c1)N(Cc1ccon1)CCCN2Cc1ccon1 96443423 MFOMMHUEBYSMAJ-UHFFFAOYSA-N 310.357 3.080 0 40 DGAB CCN1CCC(N(C)C(=O)[C@H]2C[C@H]2c2ccc(C)s2)CC1 71853412 GCYCIGBMJUYXSB-CABCVRRESA-N 306.475 3.103 0 40 DGAB CC(C)C(=O)NC1CCN(CCSc2ccccc2F)CC1 71852344 ZTGAIRODKKUSCZ-UHFFFAOYSA-N 324.465 3.154 0 40 DGAB Cc1nn(C)c(NC(=O)c2scnc2C2CCCC2)c1C 97115547 MCLKHIUIHHAHIK-UHFFFAOYSA-N 304.419 3.403 0 40 DGAB CCCCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1 72329012 ORYHYQMFYRXYIZ-UHFFFAOYSA-N 313.401 3.395 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)Cc2ccccc2C)c1 72331064 UEZLBTZLXHBBAJ-UHFFFAOYSA-N 311.381 3.052 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N[C@@H]1CCc2c(O)cccc21 79060110 JFKNMONHQWYWKQ-SMDDNHRTSA-N 314.410 3.072 0 40 DGAB Clc1ccc(-c2nc(CN3CCn4ccnc4C3)co2)cc1 97201367 DDMKJHKZXLAKFB-UHFFFAOYSA-N 314.776 3.207 0 40 DGAB CSc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1 95416108 VBMSIUWXECMJKK-OAGGEKHMSA-N 320.458 3.165 0 40 DGAB Cc1n[nH]c(-c2ccc(C(=O)N(C)c3ccc(F)cc3)cc2)n1 73709714 KFBTWJOEAMEBFD-UHFFFAOYSA-N 310.332 3.196 0 40 DGAB Cc1c(C(=O)N2CCCC[C@H]2CO)cccc1-c1ccccn1 95985670 XCMHXZUVVFTPKM-HNNXBMFYSA-N 310.397 3.044 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc21)c1ccnc(OC2CCC2)c1 89567673 YZSSOLWAIDOLBU-HNNXBMFYSA-N 308.381 3.083 0 40 DGAB COc1ccc2oc(C)c(C(=O)NCCCCCC(=O)O)c2c1 89534369 YUYPFPNYFMTJHP-UHFFFAOYSA-N 319.357 3.125 0 40 DGAB Cc1nc(C)n(-c2ccccc2NC(=O)CCc2ccc(C)o2)n1 89652917 KFMJOAMRYXDYKY-UHFFFAOYSA-N 324.384 3.357 0 40 DGAB Cc1ccc(SCCC(=O)Nc2ccccc2C(N)=O)cc1 113932728 ADSJQBKHJIZKNB-UHFFFAOYSA-N 314.410 3.215 0 40 DGAB CN(C)[C@@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 170627442 QEQIOVXOTOMQMZ-QGZVFWFLSA-N 320.396 3.318 0 40 DGAB C[C@H](c1ccccc1)[C@H](CC(=O)NC1CCCCC1)C(=O)O 35142230 KBHOYRFPYOFLLH-CJNGLKHVSA-N 303.402 3.330 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 74957504 IPFATUSLLSGYEF-UHFFFAOYSA-N 322.368 3.092 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1C 72227858 JMLHMHCCTOVAAU-JKSUJKDBSA-N 300.789 3.372 0 40 DGAB O=C(c1cscn1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72368619 VDXKDAYDTYKVEI-NSHDSACASA-N 312.398 3.039 0 40 DGAB CC(C)(C)OC(=O)NCCNC(=O)c1cc2ccccc2s1 39294128 QZGSJDUJKJYLDG-UHFFFAOYSA-N 320.414 3.156 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N[C@H]1CCCc2ccccc21 129010735 YFLQSVVEWKZFNM-INIZCTEOSA-N 309.365 3.152 0 40 DGAB Cc1nnsc1C(=O)N(Cc1ccsc1)CC(F)(F)F 44447462 LFLKHOBMVZGLBM-UHFFFAOYSA-N 321.349 3.113 0 40 DGAB O=C(NCCCN1CCCC1)C1(c2ccccc2)CCCC1 222588391 WKSBEUZKZIFJHZ-UHFFFAOYSA-N 300.446 3.101 0 40 DGAB CC[C@@H](Nc1ccc(NC(=O)c2cccs2)cc1)C(=O)OC 192842924 JWHJJPHOWBHSRR-CYBMUJFWSA-N 318.398 3.364 0 40 DGAB CCSc1nnc(NC(=O)Cc2ccc(CC)cc2)s1 224476484 GULQRIAWWDQRSQ-UHFFFAOYSA-N 307.444 3.394 0 40 DGAB COc1cccnc1NC(=S)NC1(c2ccco2)CCCC1 225875502 PNOPRPUFGWFIOB-UHFFFAOYSA-N 317.414 3.439 0 40 DGAB Cc1c(NC(=O)[C@H](C)O[C@H]2CCC[C@@H](C)C2)cccc1C(N)=O 195530352 LAEHPRCIADXUNY-XBFCOCLRSA-N 318.417 3.016 0 40 DGAB CCCCc1noc([C@@H]2CCCCN2C(=O)c2ccco2)n1 46087212 RXPREMMHKQMFMQ-LBPRGKRZSA-N 303.362 3.373 0 40 DGAB CC[C@@H]1c2ccccc2CCN1C(=O)c1ccnc(C(=O)OC)c1 81760675 BSFUTUIJNUGEHJ-QGZVFWFLSA-N 324.380 3.018 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2c(C)cc(C)cc2C)cc1 224863615 FZPIXBZZRSBQRR-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCOc1ccc(-c2nc(-c3cccc(N)c3)n[nH]2)cc1OC 85384528 UBVVRHUNHZDJSH-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@H]1CCO[C@H]1C 97230584 BIXJRFMVJTWLAK-QWRGUYRKSA-N 317.307 3.016 0 40 DGAB CC(C)COC1CC2(CCN(C(=O)c3cccn3C)CC2)C1 96159312 DUFDYSYEVFGXOB-UHFFFAOYSA-N 304.434 3.083 0 40 DGAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1CCCCCC1 96450278 NGUXHRYAUPDRMO-UHFFFAOYSA-N 310.401 3.365 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3c2ccccc2)o1 96056616 TWNRZEKHTSZFFF-QZTJIDSGSA-N 310.397 3.358 0 40 DGAB Cc1nccc([C@@H]2C[C@@H]3CCN(Cc4cccs4)C[C@H]3O2)n1 96046351 ULHLFCFABBENJC-RRQGHBQHSA-N 315.442 3.199 0 40 DGAB CN1CCC(Cc2ccnc(-c3ccc(C(=O)O)cc3)c2)CC1 257229363 FXULJPCXJBOLBW-UHFFFAOYSA-N 310.397 3.331 0 40 DGAB O[C@@H]1CCCOC12CCN(Cc1ccc3ccccc3c1)CC2 257204616 AVNIIKOTKZLNMH-LJQANCHMSA-N 311.425 3.346 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H](c3cccc4nccn34)C2)n1 257337196 YRVJDOPPADAMDO-HNNXBMFYSA-N 320.396 3.058 0 40 DGAB COc1cccc(CN2CCC[C@H](c3[nH]ncc3C)C2)c1F 257238100 HJPDWEFNZYROFS-AWEZNQCLSA-N 303.381 3.245 0 40 DGAB O[C@@H]1[C@@H](NC2CCCCC2)CCC[C@H]1Oc1cccc(F)c1 585289648 UBZKLMHAWMRTOR-RCCFBDPRSA-N 307.409 3.409 0 40 DGAB Cc1nc(CN2CCCC[C@H]2Cn2cccn2)nc2ccccc12 69631941 WEWQOZFVOHBFCE-INIZCTEOSA-N 321.428 3.189 0 40 DGAB C[C@H](NC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1cccc(Cl)c1 73487159 DPADMKLJNSBLEE-MAZHCROVSA-N 321.852 3.279 0 40 DGAB COc1ccccc1SC[C@@H](O)COCc1ccccc1 67438334 WSNVYYVEAKBLJV-HNNXBMFYSA-N 304.411 3.365 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(Cl)c(Cl)c1 102700257 ZHLMNZNQKWTIPX-PHIMTYICSA-N 310.180 3.445 0 40 DGAB CNC(=O)c1ccc(Nc2cccc(Br)c2)c(N)c1 212169422 DSXVCURCIPZBRN-UHFFFAOYSA-N 320.190 3.135 0 40 DGAB COc1c(C)cc(S(=O)(=O)N2CCCCCC2)c(C)c1C 11614189 AIEIKDCUOSBJOT-UHFFFAOYSA-N 311.447 3.185 0 40 DGAB Cc1cc(C)c2c(c1)cc(C)c1nn(Cc3ccncc3)c(=O)n12 12117719 GCGYDVUORAZHCI-UHFFFAOYSA-N 318.380 3.018 0 40 DGAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3)c1 15823308 WEAQGVKIZMEXNE-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB CCCCCc1cc(OC)c2c(c1C(=O)O)OC(C)(C)[C@H](O)C2 36375307 PHGWUQBLUYCCIS-CQSZACIVSA-N 322.401 3.201 0 40 DGAB biogenic,in-vitro Cc1ccc(C)c(SCC(=O)Nc2ccc(C(N)=O)cc2)c1 3605594 AOUYBBAKBSZOHB-UHFFFAOYSA-N 314.410 3.133 0 40 DGAB Cc1nc(C(=O)N[C@@H](C)c2ccc(Br)cc2)co1 22538512 MIRLIISZERXILD-QMMMGPOBSA-N 309.163 3.237 0 40 DGAB CCC(C)(C)C(=O)N1CCC[C@@H](COc2ccnc(C)c2)C1 1775972315 XECHEQPKLBLCRQ-OAHLLOKOSA-N 304.434 3.444 0 40 DGAB CC(C)CN1CCC(NC(=O)c2ccc(F)cc2Cl)CC1 46049861 OSMLVSBHJNITPW-UHFFFAOYSA-N 312.816 3.329 0 40 DGAB c1csc(-c2cc(CN3CCC[C@H]3Cn3cccn3)no2)c1 69769102 ZBMCLJLOGJIDQY-AWEZNQCLSA-N 314.414 3.264 0 40 DGAB O=C(NCc1ccccc1F)C(=O)Nc1cccc2ccccc12 4907777 JEQFDSUGNDRUIT-UHFFFAOYSA-N 322.339 3.234 0 40 DGAB Cc1cc(=O)c2cc(Br)cc(Br)c2[nH]1 4983728 KCLJDCWIGXDKCJ-UHFFFAOYSA-N 316.980 3.362 0 40 DGAB CSc1ncccc1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 32931282 MQWYYQXHKVJIRA-GXTWGEPZSA-N 308.447 3.129 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 6862616 LWLPORXSTYOEKY-XIEZEKGWSA-N 315.413 3.157 0 40 DGAB CCc1nnc([C@@H](C)S(=O)(=O)[C@@H]2CCCc3ccccc32)o1 75610540 DPGZYACZBHJASX-BXUZGUMPSA-N 320.414 3.185 0 40 DGAB c1ccc2c(NC[C@@H]3CCCO3)nc(-c3ccncc3)nc2c1 521035 KLWGXTYZMQMQIW-AWEZNQCLSA-N 306.369 3.283 0 40 DGAB CSc1ccc(-c2noc(CN3CCSCC3)n2)cc1 51319657 RAHMXGXBUGMJTM-UHFFFAOYSA-N 307.444 3.007 0 40 DGAB COCc1ccccc1N[C@@H](C)Cn1cc(Br)cn1 97045843 RNFHNPDFVDRZRV-NSHDSACASA-N 324.222 3.293 0 40 DGAB COc1cc(CNCc2ccc(C(=O)O)cc2)cc(Cl)c1O 35287207 KLQAOHHNSPKIGU-UHFFFAOYSA-N 321.760 3.042 0 40 DGAB CCn1cc(C(=O)NCc2ccc(F)cc2)c(=O)c2ccccc21 22234576 GKMVQFOQQBSCEK-UHFFFAOYSA-N 324.355 3.091 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1 55675903 GIZPLFJIHDIIOR-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB O=C(Nc1ccccc1Cl)N1CCC(N2CC=CC2)CC1 102681351 VBDWXAFINRLIFN-UHFFFAOYSA-N 305.809 3.208 0 40 DGAB CCCCn1cnc2sc(C(=O)OC(C)C)c(C)c2c1=O 1892633 CPAWEJGWPRDAFZ-UHFFFAOYSA-N 308.403 3.132 0 40 DGAB COc1cccc(CNC(=O)c2ccc(C(F)(F)F)nc2)c1 26868870 XNJWERLLWBNULG-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB CCC(O)(CC)CNC(=O)NCc1ccc2[nH]c(C)c(C)c2c1 57619531 IFMXMOGDSOJIKK-UHFFFAOYSA-N 317.433 3.135 0 40 DGAB CCN(CC)C(=O)c1cc(Br)cc(C)c1OC 59843548 ZFXSMMKVYUADTC-UHFFFAOYSA-N 300.196 3.248 0 40 DGAB C[C@@H](NC(=O)NC1CCCCC1)c1nc(-c2ccccc2)no1 12654798 BVJSDLUAGQEZKM-GFCCVEGCSA-N 314.389 3.430 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@H]2CCc3ccccc32)c1 44891702 VLJZEBWVECBTHI-SFHVURJKSA-N 309.365 3.072 0 40 DGAB COc1ccc(C)cc1-c1csc(CCN2CCCC2=O)n1 58282079 KZWNDLSGGGNVQI-UHFFFAOYSA-N 316.426 3.292 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCN(c2ccccc2)CC1 3355025 HORPGCYDIQJZNG-UHFFFAOYSA-N 312.438 3.199 0 40 DGAB Cc1ccoc1C(=O)N1CCN(c2ccc(Cl)cc2)CC1 58469380 DDHSJNBLAGZYNA-UHFFFAOYSA-N 304.777 3.204 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CCSc3ccc(F)cc32)c1 10965618 DIZRVGDODUPACT-ZDUSSCGKSA-N 318.373 3.323 0 40 DGAB O=C(NCc1ccc(F)cc1)[C@H]1COc2ccc(Cl)cc2C1 12728335 GSVDUAWTVQWQEC-CYBMUJFWSA-N 319.763 3.347 0 40 DGAB CSc1ccccc1C(=O)Nc1ccc(-n2cncn2)cc1 12739256 LRJHORSCLGGPHM-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCC1 12946681 ZERWGORHEBNQLN-UHFFFAOYSA-N 308.381 3.355 0 40 DGAB Cc1cc(NC(=O)N(C)CCOc2ccc(Cl)cc2)no1 12999847 NVFOYWADYCXIJV-UHFFFAOYSA-N 309.753 3.179 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)cc1C 13320350 MJSKIYANFCWTMW-BPUTZDHNSA-N 301.386 3.148 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc(Cl)c1Cl 4018746 WUUUKHGNBRMLAV-VVJJBPBLSA-N 308.164 3.305 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2ccccc12 49581347 CFPZVUDNDXLFCJ-CQSZACIVSA-N 311.410 3.322 0 40 DGAB Cc1ccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc2c1 4295830 KIUWXZQQDLBQQT-UHFFFAOYSA-N 306.325 3.275 0 40 DGAB CNc1snc(C)c1C(=O)Nc1cccc(N2CCCC2)c1 65073693 SGUSENYGWCCSQT-UHFFFAOYSA-N 316.430 3.346 0 40 DGAB S=C(NC[C@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 6332429 ACOYEKNJZNBRSG-MRXNPFEDSA-N 319.474 3.142 0 40 DGAB CC[C@@H](OC)C(=O)Nc1nc2ccccc2n1-c1ccccc1 65512890 XZXFWRXVLRJRAI-MRXNPFEDSA-N 309.369 3.389 0 40 DGAB Fc1cc2c(c(CSC3=N[C@@H]4CCCC[C@H]4N3)c1)OCOC2 14171215 PRENALXQZIRXBZ-ZIAGYGMSSA-N 322.405 3.196 0 40 DGAB CCCCN(C)C(=O)/C(=C\c1ccccc1)n1ccccc1=O 8951850 ONEJPMVTLIWFEN-BMRADRMJSA-N 310.397 3.105 0 40 DGAB CC[C@H](C)n1nc(O)c2c1NC(=O)CS[C@H]2c1ccccc1 5686608 IEVYUPROKYLJOR-HZMBPMFUSA-N 317.414 3.334 0 40 DGAB CC1(C)Cc2cccc(OCC(=O)N3CCc4ccccc43)c2O1 5672742 WUZWJUXNFMMIAL-UHFFFAOYSA-N 323.392 3.368 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)/C=C/c2ccco2)cc1 6882036 ZHGGLBGESNKBFQ-VAWYXSNFSA-N 312.369 3.414 0 40 DGAB CC(C)CN1C(=O)N[C@@](C)(c2ccc(Cl)cc2Cl)C1=O 7005561 VSVVLUXWSIJGQU-AWEZNQCLSA-N 315.200 3.416 0 40 DGAB CCn1c(SCC(=O)O)nnc1-c1ccc2c(c1)CCCC2 9193367 QXCRFXKKKIICTF-UHFFFAOYSA-N 317.414 3.021 0 40 DGAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccoc2C)o1 7194512 KKAPQFJYQRIGDY-VIFPVBQESA-N 309.391 3.035 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccnc1Cl 7358029 JHZRTRYMMDQFST-NSHDSACASA-N 301.777 3.125 0 40 DGAB O=C(NCCN1CCCC1)c1ccc(COc2ccccc2)cc1 7989743 XNLZYNZDFFJWDG-UHFFFAOYSA-N 324.424 3.091 0 40 DGAB COc1cccc(/C=C/C(=O)N(Cc2cccnc2)C2CC2)c1 7909767 KOCTZZAGSBDZNN-JXMROGBWSA-N 308.381 3.295 0 40 DGAB CN(C)C(=O)Sc1cccc(CSCc2nncn2C)c1 91036489 HYKYAFWNXCSPRT-UHFFFAOYSA-N 322.459 3.022 0 40 DGAB Cc1cccc2nc(C(=O)OCc3nc4ccccc4o3)cn12 8363418 UXAFUDCDERLEKZ-UHFFFAOYSA-N 307.309 3.141 0 40 DGAB O=C(Nc1cc(-c2c(F)cccc2F)[nH]n1)c1cccnc1 69513229 SDDOJTWMRQEEME-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)NCc2ccc(C)nc2)c1 96408065 KTRYTCRSLNADKV-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CC[C@H](Oc2ccncc2)C1 84235365 ICYYQAGJARICSC-YTQUADARSA-N 322.408 3.173 0 40 DGAB Cc1ccc(CN[C@@H](CS(C)(=O)=O)c2ccccc2)cc1F 97143328 DJNGDDOZQGABMV-KRWDZBQOSA-N 321.417 3.010 0 40 DGAB COCCCN(Cc1ccncc1)C(=O)c1sccc1C 71882980 XMWDWDXFDIRHCQ-UHFFFAOYSA-N 304.415 3.130 0 40 DGAB Cn1cc(CNc2cccc(-c3ccc4c(c3)CCO4)n2)cn1 97147952 ZQLRZSOJGAINSI-UHFFFAOYSA-N 306.369 3.029 0 40 DGAB CC(=O)NC[C@@H]1CCCN(CCc2ccc(C(C)C)cc2)C1 97162416 HODDUTKOMOXADY-SFHVURJKSA-N 302.462 3.201 0 40 DGAB OC[C@H]1CCCN1c1ncnc2sc(-c3ccccc3)cc12 72046975 JGRVEFSXSMAXDT-CYBMUJFWSA-N 311.410 3.319 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1ccc2c(c1)NCCC2 95394614 YEYXLUWVWIEDFU-UHFFFAOYSA-N 307.353 3.367 0 40 DGAB CN(Cc1cn2ccccc2n1)Cc1nc(-c2ccccc2)c[nH]1 95432342 KCQVOKJHYWRPMY-UHFFFAOYSA-N 317.396 3.356 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)n1)[C@@H]1Cc2ccccc2O1 75126764 MMOIDJAXRCFHFG-NSHDSACASA-N 308.259 3.043 0 40 DGAB Cc1ccc(Cl)cc1N1CC[C@@H](CNCc2c[nH]nc2C)C1 75126876 CWYDTVNTUCWGQJ-AWEZNQCLSA-N 318.852 3.296 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CCCOC2)cc1 89632156 QMKKBRZVYVROPZ-CVEARBPZSA-N 305.443 3.038 0 40 DGAB CC(C)C[C@H](CO)NC(=O)c1cc(C2CC2)nc2ccccc12 89821027 RHPXKPALOISZRI-CQSZACIVSA-N 312.413 3.249 0 40 DGAB O=C(c1ccoc1)N1CC[C@@H]2CCN(c3ccccc3)CC[C@H]21 306144347 ZCZMWUSZXWVBSM-MAUKXSAKSA-N 310.397 3.411 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 36635629 FNKIFSAVJKZYJM-KRWDZBQOSA-N 324.380 3.002 0 40 DGAB Cn1c(=O)n(C)c2cc(CNc3ccc(Cl)cc3)ccc21 32616916 PCSZIWHBLIKDOL-UHFFFAOYSA-N 301.777 3.143 0 40 DGAB CC(C)N(C(=O)Cc1c(F)cccc1Cl)C1CCOCC1 78183427 FCKYVUYPLLADPG-UHFFFAOYSA-N 313.800 3.438 0 40 DGAB CCOc1cccc2[nH]cc(CC(=O)N(C)c3nccs3)c12 188184756 MBWWYVUXFQWNGU-UHFFFAOYSA-N 315.398 3.229 0 40 DGAB C[C@@H](CNC(=O)NCc1cccnc1)Oc1ccccc1Cl 80641609 TYNBEKMIEFBBQZ-LBPRGKRZSA-N 319.792 3.002 0 40 DGAB O=C(O)C[C@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 226750193 IUZSDAQNWBTRBT-SFHVURJKSA-N 323.392 3.220 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc2c(c1)CCC2 223185188 ALZIEAFAIOQPGT-LBPRGKRZSA-N 319.401 3.354 0 40 DGAB CCN(c1cccc(F)c1)S(=O)(=O)c1ccc(OC)c(C)c1 224649204 GFDWFKBUJXMHCX-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB COc1cccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)c1 226267481 DCDAFHKVPNKBNL-UHFFFAOYSA-N 311.385 3.130 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1 224436333 AYWKZBLAXWJXFC-GOSISDBHSA-N 313.397 3.348 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC(C)C 222503392 NJWAQFFLIFCUKK-INIZCTEOSA-N 304.434 3.037 0 40 DGAB NC(=O)c1cc(Br)ccc1OCc1ccc(F)cc1 226319119 DTKZXBGEQUAOJN-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB C[C@H](CNC(=O)NC[C@@H](C)c1nccs1)c1ccsc1 96502689 DDHUCTVJUCDXJD-GHMZBOCLSA-N 309.460 3.411 0 40 DGAB C[C@@H](CCOc1ccccc1)C(=O)N[C@H](C)c1nccs1 96443681 MRLGWKPLVMMDCL-QWHCGFSZSA-N 304.415 3.426 0 40 DGAB Cc1ccc2c(c1)CN(C(=O)[C@H](C)c1cnn(C)c1)C(C)(C)C2 578164203 ZBCRRBCXBVOAMV-CQSZACIVSA-N 311.429 3.196 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)Nc1cnn(C(C)(C)C)c1 97377300 KRUSORGIUKWOLE-LBPRGKRZSA-N 316.405 3.086 0 40 DGAB Cc1nn(C)c2[nH]nc(NC(=O)[C@@H](C)c3cc4ccccc4o3)c12 96451298 SORVVQCQJGAAPF-VIFPVBQESA-N 323.356 3.093 0 40 DGAB Cc1csc(COC(=O)c2ccc(-c3nnc(C)o3)cc2)n1 96467284 BBWPMAYQGOKZRJ-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NCc1cccs1 97235530 UVWVEAJACPCVHL-UHFFFAOYSA-N 304.415 3.461 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)c2cccs2)c(F)c1 96416085 MDCSGDRPDCWWDC-NSHDSACASA-N 320.389 3.054 0 40 DGAB CC(C)NC(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96183627 HRSZONOPBAKIIU-UHFFFAOYSA-N 302.418 3.006 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc(F)cc1F 97377278 AVTJLKIASWFMMF-SNVBAGLBSA-N 322.359 3.355 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)/C=C/c2cccc(F)c2)cc1 96426981 JEEVYFOSWMAEJN-XFYVYHTKSA-N 303.358 3.215 0 40 DGAB C[C@H]1CN(Cc2ncnn2C(C)(C)C)C[C@@H](c2ccsc2)O1 253392456 ZRWYSOZUCMSKQB-JSGCOSHPSA-N 320.462 3.057 0 40 DGAB Cc1nn(C)c2nc([C@H]3CCCN(C(=O)C(C)(C)C)C3)ccc12 257344564 ZXUSFRSFCLHLOV-ZDUSSCGKSA-N 314.433 3.029 0 40 DGAB C[C@@]12CCN(C(=O)Cc3ccc(Cl)cc3)[C@@H]1CC[C@@H](O)C2 257338081 YVSWAIVZNGNXEJ-INMHGKMJSA-N 307.821 3.035 0 40 DGAB CCN1CCNC[C@@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 257303662 SIDGWLKIYFGFRF-HXUWFJFHSA-N 322.452 3.272 0 40 DGAB COc1ccc(CN2CCOC[C@@H]2c2ccn[nH]2)c2ccccc12 257341200 ZJHKTYORGCKPHH-GOSISDBHSA-N 323.396 3.145 0 40 DGAB Cc1ncc(-c2ccc(C[C@H]3CCCN(C(C)C)C3)cn2)n1C 257208865 BNVXCGBKYCPMJI-QGZVFWFLSA-N 312.461 3.453 0 40 DGAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@H](C)CN21 260762752 HHTDPHPXFZFVJR-UHOFOFEASA-N 312.442 3.492 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1c1ccn[nH]1)c1cn(C)c2ccccc12 287250853 XIQNTAOOARSYAK-SCLBCKFNSA-N 322.412 3.369 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccc(OC)cc1)CC2 585103098 QADOZAAYJWTXTG-KRWDZBQOSA-N 319.445 3.103 0 40 DGAB CCOC1CCN(CCc2ncc(-c3ccccc3)o2)CC1 69816831 MTAICJSQNLLHJY-UHFFFAOYSA-N 300.402 3.385 0 40 DGAB CCOc1cc(CNc2cccc(C(=O)O)c2)ccc1OC 76273428 HKZQHYOCJPMLBG-UHFFFAOYSA-N 301.342 3.404 0 40 DGAB O=C(O)Cc1c(-c2ccccc2)nc2ccccc2c1C(=O)O 5011060 UFEOLBUTJQERSZ-UHFFFAOYSA-N 307.305 3.227 0 40 DGAB CSc1nnc(SCC(=O)N(C)c2ccccc2)s1 5872468 FEZWCIKJWPROBX-UHFFFAOYSA-N 311.457 3.015 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1F 14908935 ZMSTVCRCQBEQRL-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB COCCN(CCOC)C(=O)Nc1ccc(Cl)cc1Cl 16194355 BPAUXEKAEBFZBY-UHFFFAOYSA-N 321.204 3.120 0 40 DGAB Cc1nnc(SCc2ccc(Cl)c(Cl)c2)nc1O 16777078 JKSQQMAYBPTSTJ-UHFFFAOYSA-N 302.186 3.485 0 40 DGAB CC1CCN(Cc2ccc(C(=O)NCc3cccnc3)cc2)CC1 19933612 VOZXAZIFUMPDOU-UHFFFAOYSA-N 323.440 3.244 0 40 DGAB CCOc1ccc(/C=C(\Sc2nnc(CC)o2)C(=O)O)cc1 7342694 KDLHLJXPBRLXMP-XFXZXTDPSA-N 320.370 3.249 0 40 DGAB CCc1cnc(OC2CCN(Cc3sccc3C)CC2)nc1 1888850366 WHLQKVXRGMVPOW-UHFFFAOYSA-N 317.458 3.452 0 40 DGAB COc1cc(NC2CCN(C/C=C/c3ccccc3)CC2)ncn1 1888864176 HVMWIHNDOAFDME-VMPITWQZSA-N 324.428 3.075 0 40 DGAB COc1cc(CC(=O)Nc2ccc(-n3ccnc3)cc2)ccc1C 23890376 MYAFGHXROZUWAM-UHFFFAOYSA-N 321.380 3.371 0 40 DGAB O=S(=O)(NCc1ccc(-c2ccco2)nc1)C1CCCCC1 245180688 ZGTSXXGOLYJCNK-UHFFFAOYSA-N 320.414 3.094 0 40 DGAB COc1cccc(NC(=O)CSc2nc3ccccc3[nH]2)c1 62561 MBEIJSVYZPFQJQ-UHFFFAOYSA-N 313.382 3.302 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)COc3ccccc3)ccc21 5373560 OYESXOUTGVRNLT-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB O=C(c1ccc(-c2ccsc2)cc1)N1CC[C@@H](n2ccnn2)C1 206927677 FSZUOGAQJZFZIZ-MRXNPFEDSA-N 324.409 3.094 0 40 DGAB O=C(Nc1cccc(-c2nc3cnccc3o2)c1)C(F)(F)F 32074922 WGBBDWLLPPTDDI-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB Clc1cccc([C@@H]2C[C@H](c3cccnc3)Nc3ncnn32)c1 221874 NVQKFOSOXFPIQV-CABCVRRESA-N 311.776 3.473 0 40 DGAB Cc1nnc(SCC(=O)NCCC2=CCCCC2)n1C1CC1 7617449 HFKMFNKRVWTTGX-UHFFFAOYSA-N 320.462 3.020 0 40 DGAB CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccc(Cl)cc2)NC(=O)N1 550110 BUFPDKIKOOCAEG-ZDUSSCGKSA-N 322.792 3.310 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)cn1 7779493 YLRYXQXBKNEKSV-UHFFFAOYSA-N 313.691 3.292 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1 11999049 XHSJNEBGRSDHII-UHFFFAOYSA-N 323.396 3.269 0 40 DGAB CC(C)NC(=O)CSc1nc(C(C)C)nc2ccccc12 1343005 NMDPLTOFMTXCGK-UHFFFAOYSA-N 303.431 3.370 0 40 DGAB CCOc1ccc(N2C(=O)CN=C2Nc2ccc(F)cc2)cc1 1360523 XOGGJJWSUCXVSS-UHFFFAOYSA-N 313.332 3.039 0 40 DGAB COC[C@@H](C)NC(=O)Cc1sc(C)nc1-c1ccc(C)cc1 21330746 NRZZYZGBEXUTRU-GFCCVEGCSA-N 318.442 3.121 0 40 DGAB C[C@@H]1Nc2c(ccc3ncccc23)C(=O)N1Nc1ccccc1 1653206 DASQVJOEXDOYLX-GFCCVEGCSA-N 304.353 3.476 0 40 DGAB CCCC(=O)OC(OC(=O)CCC)c1ccc(OC(C)=O)cc1 1676113 DFWCAUHKWFOFFG-UHFFFAOYSA-N 322.357 3.297 0 40 DGAB O=C(CCNC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 3606517 JXEDMUVDMHYPCP-GOSISDBHSA-N 322.408 3.000 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)nc1)c1ccc2[nH]cnc2c1 32883859 XHCRJPWYRBRGRQ-UHFFFAOYSA-N 321.384 3.201 0 40 DGAB CC(C)c1nnc(SCC(=O)Nc2ccc(F)c(F)c2)o1 32863505 LGBZAYGZMPXODA-UHFFFAOYSA-N 313.329 3.202 0 40 DGAB CSc1nc2c(c(=O)n1-c1ccc(F)cc1)S[C@@H](C)C2 4108138 VRPFAYBRBKYONT-QMMMGPOBSA-N 308.403 3.130 0 40 DGAB c1ccc(CN2CCO[C@H]3CC[C@H]2[C@H]3OCc2ccncc2)cc1 107721662 HVVMZCDVXZDBAZ-SLFFLAALSA-N 324.424 3.030 0 40 DGAB CN(CCCCc1ccccc1)CC(=O)Nc1nccs1 53082574 KYZZLRBLQGUOOQ-UHFFFAOYSA-N 303.431 3.036 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)c2c(C)noc2C)C12CCCCC2 76042211 ULEVOVPQXDOQIJ-ZIAGYGMSSA-N 306.406 3.149 0 40 DGAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@H]32)oc2c(F)cccc12 53381547 IOIUDSJYQYXTOG-ZIAGYGMSSA-N 303.333 3.274 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc(-c3nnco3)ccc2C)c1 47320829 DVEOQSGAHQGPHC-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB COCC[C@H](C)NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 104387273 GTXRJQJFUYTAAF-SWLSCSKDSA-N 322.453 3.078 0 40 DGAB Cc1ccc(C(=O)CSc2nc3n(n2)CCCCC3)cc1 26506531 KQGFGYDFVPPPDR-UHFFFAOYSA-N 301.415 3.288 0 40 DGAB CCC(CC)NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1 25048030 ZIBHILZMMNSSHQ-UHFFFAOYSA-N 318.461 3.409 0 40 DGAB Cn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2cc(F)ccc21 22236249 OZIQDHXYJLQROE-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB O=C(NC1CCC(C(F)(F)F)CC1)c1n[nH]c2ccccc12 25997668 ONLOIFZCZKTJCD-UHFFFAOYSA-N 311.307 3.414 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccn(CC(F)F)n2)[C@H]2CCCC[C@@H]12 108495939 CDFPJHIZTVPAHO-WOPDTQHZSA-N 312.364 3.191 0 40 DGAB Cn1c(Cl)cnc1COC(=O)c1cccc(-n2cccc2)c1 27543555 XSMBXSWAERTZTF-UHFFFAOYSA-N 315.760 3.221 0 40 DGAB COC(=O)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 44870618 WXRTXUDOYLPBDQ-UHFFFAOYSA-N 321.760 3.111 0 40 DGAB CCCOc1ccc([C@@H](C)NC(=O)c2cc(C)no2)cc1OC 44953759 AJQBTTWSXOMUFX-GFCCVEGCSA-N 318.373 3.271 0 40 DGAB CC(C)(C)c1cnc(CN2CCCc3c(C(N)=O)cccc32)o1 44977487 DEQXZMKEHFUWOS-UHFFFAOYSA-N 313.401 3.024 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccsc1)c1ccc2c(c1)OCO2 58313379 BVYNMEMADDDYNN-LLVKDONJSA-N 318.398 3.379 0 40 DGAB CCc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)(C)C)cc1 58358439 LDAJDCVWUJBGMP-NSHDSACASA-N 318.446 3.354 0 40 DGAB CCSc1ccc(NC(=O)NCc2nc(C)cs2)cn1 58438520 DXBAZCGFSKKUJW-UHFFFAOYSA-N 308.432 3.280 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)OCC(=O)c1ccc[nH]1 11196247 LRMZRQDOWRNYHR-UHFFFAOYSA-N 322.364 3.148 0 40 DGAB Cc1cccc(-n2nnnc2SCc2cccc(F)c2)c1 3368181 WGZJZICIHLFTGJ-UHFFFAOYSA-N 300.362 3.402 0 40 DGAB CCOc1cc(CNC2CC2)cc(Br)c1OC 8253581 PRIDKGNSNXHJCQ-UHFFFAOYSA-N 300.196 3.108 0 40 DGAB O=C1NC(=O)/C(=C\c2ccc(Oc3ccc(F)cc3)nc2)S1 4054526 HKDLPKFTRFIAAL-KPKJPENVSA-N 316.313 3.337 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1ccccc1 4110072 KGOFKCILZHZVDV-CRAIPNDOSA-N 322.408 3.055 0 40 DGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(O)c1 5062023 ZFQIBLRNPCTHPN-UHFFFAOYSA-N 314.381 3.335 0 40 DGAB Cc1cc(C(=O)COC(=O)c2c(F)cccc2Cl)c(C)n1C 5109644 VEPDNVBMZLPMIS-UHFFFAOYSA-N 323.751 3.474 0 40 DGAB CC(C)CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 8314618 IGBGWDSETAOPBN-RDJZCZTQSA-N 318.461 3.382 0 40 DGAB CC(C)(C)OC(=O)COC(=O)c1ccc2ccccc2c1O 14053859 CXOABHLQWWFIMQ-UHFFFAOYSA-N 302.326 3.044 0 40 DGAB COc1ccc(C2=NC[C@H](CSc3nncs3)S2)cc1 14020567 XEMDHQCCRSBGER-LLVKDONJSA-N 323.468 3.201 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3ccnc3C)C2)c1 69919091 MDTCRGJQRFINDQ-GBESFXJTSA-N 323.440 3.467 0 40 DGAB O=C(NOCc1ccccc1)NC12CC3CC(CC(C3)C1)C2 4661437 ITTBCVAOGXWYKS-UHFFFAOYSA-N 300.402 3.386 0 40 DGAB COCCn1c(C)cc(CNCCc2ccc(OC)cc2)c1C 6650967 KWRZSWROFDKEFM-UHFFFAOYSA-N 316.445 3.092 0 40 DGAB COc1ccc(F)cc1C(=O)C(=O)N(C)[C@H]1CCCC[C@H]1C 69535220 BFNALIXLPLDVEY-RISCZKNCSA-N 307.365 3.054 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccc(F)cc2)cc1 7382622 ZNQPRFURFMQUIJ-NSHDSACASA-N 300.333 3.467 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 8752874 HUPPGRGUNSEHGK-MRXNPFEDSA-N 301.365 3.250 0 40 DGAB COc1ccc(-c2nc(CCNCc3cccc(O)c3)co2)cc1 72274450 GNDGFHLXKMOJSS-UHFFFAOYSA-N 324.380 3.388 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2NC1=O 9364890 YKNKBNQLPDZUCL-VIFPVBQESA-N 316.744 3.312 0 40 DGAB COc1cc(Cl)ccc1CNC(=O)NCCC(F)(F)F 72304201 QQMAOOQSJAGZEX-UHFFFAOYSA-N 310.703 3.100 0 40 DGAB COc1ccc(CNC(=O)N2CCc3sccc3C2)cc1 9710724 VUIPEYVNSCRWMD-UHFFFAOYSA-N 302.399 3.025 0 40 DGAB COCCOc1ccc(CN[C@H]2CCCc3sccc32)cn1 95420415 AQYOWQSDXNGWSZ-HNNXBMFYSA-N 318.442 3.336 0 40 DGAB CSC[C@@H](NC(=O)NCCc1ccncc1)c1ccccc1 95417664 NSXHDKKVEABXMY-MRXNPFEDSA-N 315.442 3.028 0 40 DGAB O=C(C[C@H]1CCCc2ccccc21)N1CCCC[C@@H](CO)C1 95430141 XPIASBRTLZYMPZ-NVXWUHKLSA-N 301.430 3.118 0 40 DGAB O=C(NC1CCCCCC1)N[C@H]1CCO[C@]2(CCSC2)C1 95426851 VVSVMOWNXVDSFO-GOEBONIOSA-N 312.479 3.063 0 40 DGAB Cc1nc(N)sc1-c1ccnc(C(C)(C)C(F)(F)F)n1 95629768 VNMBPDQSFNGNAF-UHFFFAOYSA-N 302.325 3.331 0 40 DGAB Cc1nc2ccccc2c(C)c1C(=O)OCC(=O)c1ccc[nH]1 9954849 FUZFWQLQRWVFON-UHFFFAOYSA-N 308.337 3.219 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)NCCn1cccc1 75104784 GKXZJNGZNNFTRD-UHFFFAOYSA-N 301.390 3.407 0 40 DGAB CCn1nc(C)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 28240087 IOQZVQUIIHNEJT-NSHDSACASA-N 307.781 3.271 0 40 DGAB COc1cc(NC(=O)c2ccco2)ccc1-c1ccc(CO)o1 20139716 GGPKWUMMBFEREE-UHFFFAOYSA-N 313.309 3.293 0 40 DGAB COc1cc(CCN[C@H]2CCO[C@@H](C(F)(F)F)C2)ccc1C 554361740 HYRHTHWZIRQALS-DZGCQCFKSA-N 317.351 3.246 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCCc1ccccc1 38754259 CRNSLYDLVMVXMD-GOSISDBHSA-N 313.397 3.212 0 40 DGAB Cc1csc2ncnc(NCc3nncn3-c3ccccc3)c12 505733369 KPSKPDGTFYVKKF-UHFFFAOYSA-N 322.397 3.193 0 40 DGAB O=C(c1ccc(F)c(F)c1F)N1CCO[C@H](c2ccccc2)C1 36076024 RMALRKGTWWMQOC-AWEZNQCLSA-N 321.298 3.318 0 40 DGAB O=C(NCc1ccc(Cl)cc1)[C@H]1CC(c2ccccc2)=NO1 33145126 ZNRXAOWTIIUCEW-MRXNPFEDSA-N 314.772 3.149 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2c(C)nc3ccccn23)cc1 75287169 RVCSHWYZRWALEZ-LBPRGKRZSA-N 309.369 3.142 0 40 DGAB CC(C)c1nccn1-c1cncc([C@H]2CCCN(C(C)C)C2)n1 72355533 MSHQVZGRKMRHIR-HNNXBMFYSA-N 313.449 3.374 0 40 DGAB Cc1nc(I)ccc1C(=O)c1ccccc1 72219676 PJDXVAUDFGGWEY-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB O=C(OC1CCOCC1)N1CCS[C@@H](c2ccco2)CC1 219423372 MEIZPJXIAIQZCL-CQSZACIVSA-N 311.403 3.075 0 40 DGAB COCCNc1c(C)c(C)nc2c(-c3cccs3)c(C)nn12 72341720 NCHYBTOVZUQSFP-UHFFFAOYSA-N 316.430 3.441 0 40 DGAB CCOC(=O)/C=C/c1ccc(OCc2cccnc2)c(OC)c1 216892624 QYSAVGANYXUSDL-VQHVLOKHSA-N 313.353 3.246 0 40 DGAB Cc1ccc2nc(C)c(C(=O)Nc3ccc(F)cc3F)n2c1 71459310 XTEVXGOFKPSOPR-UHFFFAOYSA-N 301.296 3.482 0 40 DGAB CC1CCC(NC(=O)C(=O)Nc2ccccc2C(C)C)CC1 42646463 INBCISFQFAJCMH-UHFFFAOYSA-N 302.418 3.443 0 40 DGAB COCc1cc(C(=O)N[C@@H](C)c2ccc(F)cc2)ccc1OC 224404039 JGLFYGGMJLTQMU-LBPRGKRZSA-N 317.360 3.472 0 40 DGAB Cc1ncoc1C(=O)N1CCCCC[C@@H]1c1noc(C(C)C)n1 329573427 VDAUUPRAURMONQ-GFCCVEGCSA-N 318.377 3.247 0 40 DGAB CCC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225383195 CLQSEBGOQPYQOP-GFCCVEGCSA-N 305.447 3.288 0 40 DGAB CC(=O)NC[C@@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 133315541 NEPMTVGIBUIKEV-ZDUSSCGKSA-N 323.824 3.028 0 40 DGAB COc1cccc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225781715 PWJDUKBKJDKYJK-ZDUSSCGKSA-N 316.426 3.449 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224427971 BTJIZGQBVBLJIN-LSDHHAIUSA-N 313.397 3.382 0 40 DGAB COc1cccnc1NC(=S)N[C@H](C)c1ccccc1C 225755486 DBVBNSCJUDIDAS-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB C[C@]12C[C@@H]3CN[C@H]1CCCC[C@H]2N3C(=O)OCc1ccccc1 95951586 KCTMWICTANZANU-NTDBWNAOSA-N 314.429 3.318 0 40 DGAB O=C(CCc1ccsc1)Nc1ccc(O[C@H]2CCOC2)cc1 96416771 LUQXCOOPSPEFOQ-INIZCTEOSA-N 317.410 3.487 0 40 DGAB CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96418841 FSMVEDIJUIIGRV-IMJJTQAJSA-N 307.821 3.154 0 40 DGAB CC(C)n1nc(Cn2cccc2)c2c1CN(Cc1ccco1)C2 96084543 IGUJWOPQHHSYGQ-UHFFFAOYSA-N 310.401 3.423 0 40 DGAB CC(C)(C)c1ccc(CCNC(=O)CN2C3CCC2CC3)cc1 532158264 YTCNQQFAGASWGA-UHFFFAOYSA-N 314.473 3.270 0 40 DGAB COCCOCCC(=O)N[C@H](C)c1cccc(Cl)c1Cl 96409997 YEXCDDJNOGPSKX-SNVBAGLBSA-N 320.216 3.224 0 40 DGAB O=C(/C=C/c1cccnc1)NCc1ccccc1OCC1CC1 96416756 WLLUQVUPVZWRKY-MDZDMXLPSA-N 308.381 3.200 0 40 DGAB CC[C@@H](NC(=O)[C@@H](C)OC)c1ccccc1Br 96475094 MNMLCQDVJDVDOX-BXKDBHETSA-N 300.196 3.051 0 40 DGAB COc1ccccc1[C@H]1C[C@@H](NC(C)=O)[C@@H]2CCCC[C@H]2O1 257328388 XFJPOVNNEDCVPL-PAYONLEZSA-N 303.402 3.220 0 40 DGAB COc1c(C(=O)Nc2nnc(C3CC3)s2)oc2ccccc12 252494947 OIVKTVCCGXJAGC-UHFFFAOYSA-N 315.354 3.423 0 40 DGAB CCC1=C(C(=O)NCc2ccnc(OC3CCC3)c2)CCCO1 252507913 WWRKEZNWUYXGSZ-UHFFFAOYSA-N 316.401 3.104 0 40 DGAB O=C(CCCOc1ccccc1F)Nc1ccc(Cl)nn1 75137826 ZTZDXPVDMURHAB-UHFFFAOYSA-N 309.728 3.067 0 40 DGAB COC1(CN[C@H](C)C(C)(C)c2ccc(F)cc2)CCOCC1 97374996 PGHMAMMUGSATNB-CQSZACIVSA-N 309.425 3.277 0 40 DGAB Cn1cccc1/C=C1/SC(=S)N(c2cccc(O)c2)C1=O 2435682 NJJLFEUTNUGCQU-UKTHLTGXSA-N 316.407 3.137 0 40 DGAB COC(=O)c1cc(C2CC2)nc2c1cnn2-c1ccc(F)cc1 12395954 XRCKQYGXMQVIRK-UHFFFAOYSA-N 311.316 3.224 0 40 DGAB O=C(OC[C@@H]1CCCN2CCCC[C@@H]12)c1ccc(F)c(F)c1 13362187 CANUBXZJGLXAEB-BBRMVZONSA-N 309.356 3.386 0 40 DGAB Cc1nc2n(c(=O)c1Cc1cccc3ccccc13)CCS2 14608414 ACMOYRBWDRGKBE-UHFFFAOYSA-N 308.406 3.401 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H]1C 15792289 FUVCXUZCNAREEJ-HBUWYVDXSA-N 301.430 3.495 0 40 DGAB CC(=O)c1ccc(OC(=O)c2cccc(N3CCCC3=O)c2)cc1 18077059 UXQSHNGOALCVQG-UHFFFAOYSA-N 323.348 3.235 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3ncccc13)OC2=O 100261028 NVVWRZKRZBBMTF-OALUTQOASA-N 324.380 3.295 0 40 DGAB CCCC(=O)N1CCN(c2nc3ccc(C)cc3s2)CC1 5180932 JEUWVHYXWBVPCZ-UHFFFAOYSA-N 303.431 3.053 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)c2ccccc2OC(F)F)no1 24740596 LBUMZDPZHVAUCY-SECBINFHSA-N 311.288 3.467 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2nccc3occc23)C1 2087136677 BSDUQXZVZAACPK-ZDUSSCGKSA-N 315.417 3.301 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2)SC[C@H]1C(=O)O 2583066 QTGJLLUGEPDNFX-RYUDHWBXSA-N 309.387 3.122 0 40 DGAB Cc1cc(-c2nc3cccnc3s2)ccc1NS(C)(=O)=O 4200739 XKBLOVVPMVUHED-UHFFFAOYSA-N 319.411 3.038 0 40 DGAB Cc1ccc(SCCCNC(=O)Nc2nccc(C)n2)cc1 10220861 COIXKAWVZZQXMM-UHFFFAOYSA-N 316.430 3.397 0 40 DGAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccncc1 40108460 DFEMNWYBMVUKJP-NSHDSACASA-N 319.202 3.205 0 40 DGAB CN(C)c1ncccc1C(=O)NCc1ccc(Cl)cc1Cl 31675847 YQAWOIUFNCKSFK-UHFFFAOYSA-N 324.211 3.384 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(F)cc1 40543714 VOFWEBWBLRVGOY-NSHDSACASA-N 311.316 3.367 0 40 DGAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1ccccn1)C3 20565810 TYWONWCGXJSDTH-UHFFFAOYSA-N 320.348 3.033 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(C)c(F)c2)c1 51357332 OYGXQNWHNUWRHU-UHFFFAOYSA-N 315.344 3.262 0 40 DGAB O=C1N/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 101658017 CKGJMMRABLVGPY-ZSOIEALJSA-N 314.728 3.143 0 40 DGAB COc1ccc2cc(-c3ccc(OC)c(OC)c3)c(=O)oc2c1 57815 XJMBKKMQJONPPZ-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic CCCc1noc(CCC(=O)NCC(C)(C)c2ccccc2)n1 32474540 MLJSLPCSQNXGJL-UHFFFAOYSA-N 315.417 3.049 0 40 DGAB Cc1nc(-c2ccc(OCc3noc(-c4ccco4)n3)cc2)no1 46030272 SPJHKSQWETXKPN-UHFFFAOYSA-N 324.296 3.267 0 40 DGAB Cc1nc(CC(=O)N[C@@H](c2ccccc2)c2ccccn2)cs1 29711928 QMOLLDSSYPISOE-SFHVURJKSA-N 323.421 3.295 0 40 DGAB CC1CCC(NC(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 29709314 IJAHGHXUURXTIT-JXQTWKCFSA-N 310.438 3.081 0 40 DGAB COc1ccccc1NC(=S)NC(=O)CCc1ccccc1 1004135 AHAABNLUSLBBJC-UHFFFAOYSA-N 314.410 3.141 0 40 DGAB Cc1cc(C)cc(NC(=O)N2CCC[C@H]2C(=O)NCC(C)C)c1 1343085 ZNAPZMUJWXXJLF-INIZCTEOSA-N 317.433 3.072 0 40 DGAB CNC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 41066847 PWZZYMJKCJAHEZ-JTQLQIEISA-N 301.217 3.065 0 40 DGAB C[C@@H](NC(=O)c1cccnc1)c1cccc(Br)c1 32796142 UMWGUXTWJBTWBN-SNVBAGLBSA-N 305.175 3.335 0 40 DGAB CN(CCOc1ccccc1F)C(=O)c1c[nH]c2ccccc12 32787988 BNPQQBWOHANYEW-UHFFFAOYSA-N 312.344 3.458 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(Cl)c1 3385598 ZYYOQKJFVWSVIE-SMDDNHRTSA-N 309.793 3.192 0 40 DGAB CC(C)CCC(=O)N[C@@H](c1ccccc1F)c1nccn1C 29999430 NPJCWCUXOJNONA-INIZCTEOSA-N 303.381 3.201 0 40 DGAB O=C1[C@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1C1CCCCC1 485966 JMQVIZOVQCCONX-QGZVFWFLSA-N 323.396 3.190 0 40 DGAB biogenic COc1ccc(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)cc1 426436 SSUFUHJHQMDHCJ-CYBMUJFWSA-N 323.400 3.060 0 40 DGAB CNC(=O)c1cccnc1N1C[C@H](c2ccccc2C)C[C@H]1C 78294485 VDXUVNRDBJLBAP-HUUCEWRRSA-N 309.413 3.132 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1ccsc1 46913370 HRDYCNCXDACMEG-INIZCTEOSA-N 317.458 3.395 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2cccs2)cc1OC 23435726 JHOSKNRVYHHGLR-LLVKDONJSA-N 305.399 3.185 0 40 DGAB O=C(COc1ccccc1O)Nc1ccccc1Br 3097105 ZAXSIIDAWSPRDB-UHFFFAOYSA-N 322.158 3.172 0 40 DGAB Fc1cccc(C2(CNc3cncc(Cl)n3)CCOCC2)c1 54981741 NXLSRVBLRWDVTH-UHFFFAOYSA-N 321.783 3.429 0 40 DGAB CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCC1CCCCC1 100466991 XTULGTCCHMSQNX-TXPKVOOTSA-N 306.494 3.487 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1F)c1ccccc1 12506565 SICXMJADUMQTSR-INIZCTEOSA-N 309.344 3.079 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2c(Cl)n1)[C@H]1CCCO1 35239073 PLSMVYFZZKJAOZ-QMTHXVAHSA-N 304.777 3.186 0 40 DGAB c1cn(C2CCCC2)nc1CN[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 108376770 WOITVOIRMASVPJ-KZNAEPCWSA-N 315.461 3.436 0 40 DGAB O=C(NC(=S)Nc1nc(-c2ccccc2)cs1)C1CCC1 1926654 KXPTYRARSXVRLU-UHFFFAOYSA-N 317.439 3.423 0 40 DGAB CC(C)N(C)CC(=O)N[C@H](c1ccc(F)cc1)c1cccs1 52875873 KHWACLUPQZSBOA-QGZVFWFLSA-N 320.433 3.433 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 36022403 ZSJSVCGUSBTCKC-RISCZKNCSA-N 310.825 3.009 0 40 DGAB COc1ccc(-c2nsc(NC(=O)CC(C)C)n2)cc1OC 27793640 IILYNIUZQLZVOD-UHFFFAOYSA-N 321.402 3.207 0 40 DGAB CC(=C/C(=O)O)/C(=C/c1ccc2c3c(cccc13)CC2)C(=O)O 2293820 RRCXGTPUCHVEHL-WCCCXEKXSA-N 308.333 3.437 0 40 DGAB C[C@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2ccccn12 48374480 SKHBWHWKDJPAGX-VIFPVBQESA-N 318.739 3.013 0 40 DGAB Cc1ccccc1CCNC(=O)c1ccc(Cn2cccn2)cc1 11514382 DEXHCAGBKWYEAA-UHFFFAOYSA-N 319.408 3.212 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)CCn2cnc3ccccc32)no1 29242365 PDGQOAFYYPVRHF-QGZVFWFLSA-N 324.384 3.087 0 40 DGAB Cc1noc(C)c1C(=O)O[C@H](C)C(=O)c1cccc(Cl)c1 12817160 ZMYDZFSSXNGGJU-SNVBAGLBSA-N 307.733 3.373 0 40 DGAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1ccc(F)c(F)c1 12877623 FGLYLMWYNLZFFZ-UHFFFAOYSA-N 313.307 3.332 0 40 DGAB O=C(Cc1ccccc1Br)NCc1ccccc1 48534297 LEGBKTMZHHNICZ-UHFFFAOYSA-N 304.187 3.308 0 40 DGAB O=C(Cc1c(F)cccc1Cl)OCC(=O)c1ccccc1 3526055 NJQDCMZWVVNARR-UHFFFAOYSA-N 306.720 3.448 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F 12906718 BOKNRJSAGHCSQC-UHFFFAOYSA-N 316.332 3.261 0 40 DGAB C[C@]12CCC[C@@H]1[C@@H]1C[C@H](O)[C@H]3CC(=O)CC[C@@]3(C)[C@@H]1C(=O)C2 25541914 XQLFKXBNBBSWOD-AKRICMDLSA-N 304.430 3.138 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C[C@H](C)O[C@H](C)C1 13117770 OVAGJYWTJLSBDM-BETUJISGSA-N 319.836 3.443 0 40 DGAB O=C(c1cnccn1)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69510632 QOZDZMZVEDTCKW-CQSZACIVSA-N 321.302 3.473 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69535561 DHLWACPMRGSXDX-JKSUJKDBSA-N 321.428 3.388 0 40 DGAB CC(=O)c1ccc(N2CCC(C(=O)N3CCCCC3)CC2)cc1 4052234 QVDDVXLWAOKOAU-UHFFFAOYSA-N 314.429 3.118 0 40 DGAB O=C(NC1CC1)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408679376 WGPBLOGDZINUJY-UHFFFAOYSA-N 322.339 3.207 0 40 DGAB Cn1cc([C@@H]2CCCN2CCCc2nc3ccccc3o2)cn1 69668860 USKKQQUOZPWLFD-INIZCTEOSA-N 310.401 3.331 0 40 DGAB CCC1(CC)[C@@H](NC(=O)Nc2ccc3c(c2)COC3)C[C@H]1OC 92162698 YJQNJYYGRKNWRO-JKSUJKDBSA-N 318.417 3.432 0 40 DGAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)c(O)c1 8752828 HTEUDZKKBVOALB-UHFFFAOYSA-N 313.353 3.043 0 40 DGAB CCc1ccc2c(CSc3nccn3C)cc(=O)oc2c1 6369781 YCODYOLROZQMJL-UHFFFAOYSA-N 300.383 3.381 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)N[C@H]1CCCc2ccccc21 6538289 FCPYDMPNRAGLFT-ZDUSSCGKSA-N 323.318 3.096 0 40 DGAB O=C(CN1C(=O)S/C(=C/c2ccncc2)C1=O)c1ccccc1 4688501 NAKNDYWKDFYOCL-XNTDXEJSSA-N 324.361 3.001 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2O)cc1C 6667887 AZDDMIVAASRSRM-UHFFFAOYSA-N 311.790 3.463 0 40 DGAB Cc1noc(CCCNC(=O)N2CCC3(CCCCC3)CC2)n1 67084344 JZNRUGVDMMIVGY-UHFFFAOYSA-N 320.437 3.067 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccnn1C(C)C 5967099 SLWANFSRDUDBHC-NSHDSACASA-N 321.402 3.018 0 40 DGAB Cc1c(C(=O)O[C@H]2CCOC2=O)oc2c1ccc1ccccc12 7007696 ILBAAPPNPQPLFD-AWEZNQCLSA-N 310.305 3.367 0 40 DGAB c1ccc(CN2CC[C@H](Nc3ncnc4sccc34)C2)cc1 7980971 NCGQZPGYGSTJQC-AWEZNQCLSA-N 310.426 3.378 0 40 DGAB O=C(c1cn2cccnc2n1)N1CCCC2(CCCCCC2)C1 81304807 RRFYLTAAGBCBPQ-UHFFFAOYSA-N 312.417 3.306 0 40 DGAB CN1CCN(Cc2nnc(-c3ccccc3)o2)Cc2ccccc21 69090529 MXYNSMUZTKKELW-UHFFFAOYSA-N 320.396 3.189 0 40 DGAB Cc1nc2cc(NC(=O)Cc3ccc4c(c3)OCCO4)ccc2o1 8132371 VCVXRNBDTNFVMZ-UHFFFAOYSA-N 324.336 3.089 0 40 DGAB C[C@@H](CNC(=O)NC[C@@H](C)c1cccs1)c1nccs1 96013812 BIAKGAFZVSKYLS-MNOVXSKESA-N 309.460 3.411 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N(C)Cc1ccsc1 9387351 WEDNXLRXNNMXLU-JTQLQIEISA-N 309.822 3.256 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)c1ccc(-c2cnco2)cc1 71911521 AKFKEOISSFZMRT-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB O=C(C[C@@H]1CCOc2ccccc21)N(CC(F)(F)F)C1CC1 71910380 HOLHYVUAHMGZJW-NSHDSACASA-N 313.319 3.496 0 40 DGAB Cc1cccc(OC[C@H](C)NC(=O)NCc2scnc2C)c1 72271794 FMVPFODPEQGTTN-LBPRGKRZSA-N 319.430 3.027 0 40 DGAB C[S@@](=O)Cc1cccc(NCCc2ccc3c(c2)CCO3)c1 97114004 UWVJGIPSZYGLDE-QFIPXVFZSA-N 315.438 3.155 0 40 DGAB Cc1nnc(CCC[S@@](=O)Cc2cccc3ccccc23)o1 97144270 OBUZBBDCDXTUPH-QFIPXVFZSA-N 314.410 3.413 0 40 DGAB O=C(NCCc1ccc2ccccc2n1)c1ccc(Cl)o1 79706433 XNNCNGAEDYROKW-UHFFFAOYSA-N 300.745 3.454 0 40 DGAB O=C(N[C@H](c1ccc(F)cc1)C1CC1)c1ccc2c(c1)OCO2 84392660 HSPRNELMNSITPK-KRWDZBQOSA-N 313.328 3.436 0 40 DGAB CN(C)CC[C@H]1CCCCN1C(=O)Nc1ccc(F)cc1F 95452913 BMMSPHHXCNLZDP-CYBMUJFWSA-N 311.376 3.303 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2nccn2Cc2ccccc2)cn1 69871391 LTDYDNPDYTVUFA-SFHVURJKSA-N 321.428 3.002 0 40 DGAB CCc1c(C(=O)N2CCC(=Cc3ccccc3)CC2)nnn1CC 95408090 TYKHQIWSOBSNET-UHFFFAOYSA-N 324.428 3.180 0 40 DGAB CCc1nc2cc(NC(=O)NCCc3ccncc3C)ccc2o1 95437919 JWDBNCNFXLCWLI-UHFFFAOYSA-N 324.384 3.458 0 40 DGAB Cc1c(CSC(C)C)cccc1NC(=O)N1CC[C@@H](O)C1 88390951 GMWJYQIQQTUYCH-CQSZACIVSA-N 308.447 3.235 0 40 DGAB CC1(c2ccccc2)CCC(NC[C@@]2(CCO)CCOC2)CC1 95982195 TUTMDZRAIGNLQR-SOAGJPPSSA-N 317.473 3.266 0 40 DGAB CCN(C)C(=O)NCC(C)(C)c1ccccc1Br 95972322 LWDUCMHGPONTRS-UHFFFAOYSA-N 313.239 3.388 0 40 DGAB Cc1nc(CCNC(=O)[C@@H](C)Oc2cccc(C)c2C)cs1 27988672 HMVJHMGJCVJRCA-CYBMUJFWSA-N 318.442 3.195 0 40 DGAB CC(C)[C@@H](NC(=O)C1CCCC1)c1ccc2[nH]c(=O)oc2c1 75138475 MMQLSNHICQKPQA-OAHLLOKOSA-N 302.374 3.125 0 40 DGAB CCn1c(SCc2ccc(C(=O)O)o2)nnc1-c1ccco1 408555598 HJEZBQJBDQNICA-UHFFFAOYSA-N 319.342 3.142 0 40 DGAB FC(F)c1nc(Cl)nc(Cl)c1I 217587140 NADVGIAHZJMPGW-UHFFFAOYSA-N 324.883 3.326 0 40 DGAB Cc1ccc(Nc2ccccc2C(=O)N2CC[C@H](C(=O)O)C2)cc1 561493061 VBIFTMRVRUFJJL-AWEZNQCLSA-N 324.380 3.285 0 40 DGAB COc1ccc(OCCNC(=O)Cc2cc(C)ccc2C)cc1 76126413 VAGPRYBLWRMIEM-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CC[C@H]1CCCCN1C(=O)Cn1c(=O)sc2c(C)cccc21 563128127 FYVDSHYMURECCR-ZDUSSCGKSA-N 318.442 3.163 0 40 DGAB CC1CCN(CCNC(=O)c2cc(F)c(F)cc2Cl)CC1 46956914 LHMHAINXOXJKTE-UHFFFAOYSA-N 316.779 3.080 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 44895094 NZWXRTJOARTSEC-ZDUSSCGKSA-N 321.384 3.369 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2C)cc1OC 225308668 HFHYJMKYLTXZNI-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB COc1ccc(NC(=O)NCCc2ccccc2F)c(OC)c1 40098623 DVILSVXLNZSKLW-UHFFFAOYSA-N 318.348 3.207 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 223257037 ITCSRZRKBORCEI-CYBMUJFWSA-N 323.392 3.438 0 40 DGAB CCc1[nH]c(C(=O)N(C2CC2)[C@@H](C)C(C)C)c(C)c1C(=O)OC 49683488 QLYFEUGMACZZSI-LBPRGKRZSA-N 320.433 3.321 0 40 DGAB CC[C@@H](CNC(=O)c1cccnc1S)Oc1cccc(F)c1 84619464 UJDRVCBIHOGKCL-LBPRGKRZSA-N 320.389 3.097 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(C)c(Cl)c2)c1 42646146 YZQZGYMWTKKNAQ-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2cccc(F)c2)C1 89223585 CMKPBBAKIIMGLF-AWEZNQCLSA-N 308.397 3.172 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCC1=CCCCC1 224612089 UXEXYYYLGROTTO-HNNXBMFYSA-N 303.402 3.469 0 40 DGAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1ccsc1Cl 192981847 GSBKKUDMAHHDRK-SFYZADRCSA-N 304.799 3.111 0 40 DGAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3sccc3C)O2)n1 97953571 RYWNQALFUFKYBL-MCIONIFRSA-N 319.430 3.243 0 40 DGAB CNC(=O)CN(C)[C@@H](C)c1ccc(-c2ccccc2OC)cc1 96424753 DMHBRBJTGIOATE-AWEZNQCLSA-N 312.413 3.101 0 40 DGAB C[C@@H]1C[C@@H](Sc2nnc(-c3ccc(Cl)s3)o2)C(=O)O1 96422242 VMKWUUZYQDTRDQ-IYSWYEEDSA-N 316.791 3.248 0 40 DGAB CCO[C@H]1C[C@@H](N(C)Cc2noc(C3CC3)n2)C12CCCC2 96419742 QNDFOCDUQMGECJ-KGLIPLIRSA-N 305.422 3.117 0 40 DGAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)Nc1ccccc1 96098643 BUUHOXLMMZLTFK-UHFFFAOYSA-N 311.389 3.338 0 40 DGAB CC(C)[C@H](NC(=O)c1cc(F)c(F)c(F)c1F)c1ncc[nH]1 585127789 JKZTVFJQVLJZTO-LBPRGKRZSA-N 315.270 3.093 0 40 DGAB COc1cnc(F)c(CN[C@@H](C)[C@H](c2ccccc2)N(C)C)c1 585117688 SJHCXAIUUSSYJZ-SUMWQHHRSA-N 317.408 3.010 0 40 DGAB Cc1cc(NC(=O)NCC(C)C)ccc1OC1CCOCC1 96416047 XEPJTPLBKHILGS-UHFFFAOYSA-N 306.406 3.330 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 245267032 LGPUFMUNOIMBHS-QOFQEFQBSA-N 315.413 3.326 0 40 DGAB CNc1cc([C@H]2CCCN(C(=O)c3ccsc3)C2)ccn1 257331514 XTEXEZQNLLTRMN-ZDUSSCGKSA-N 301.415 3.205 0 40 DGAB O=C(Nc1ccccc1-c1cn2c(n1)SCC2)c1ccncc1 253471641 DWCJCXJIAADJGB-UHFFFAOYSA-N 322.393 3.303 0 40 DGAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)N1CCCCC1 253400095 KMPANWDRGDZTNB-NSHDSACASA-N 318.348 3.160 0 40 DGAB biogenic,in-vitro Cc1cnc(C2(C)CCN(C(=O)c3c(C)noc3C)CC2)s1 257317036 VICDFNCKRVELAB-UHFFFAOYSA-N 319.430 3.250 0 40 DGAB Cc1cnc(CN2CCC(C)(c3ncc(Cl)s3)CC2)cn1 257227677 FQKBCFJGUOKEBG-UHFFFAOYSA-N 322.865 3.449 0 40 DGAB O=C(NC1CCCCCCC1)N(CCO)Cc1ccccc1 59262260 YCWBLFCQTWEDTJ-UHFFFAOYSA-N 304.434 3.303 0 40 DGAB CC(C)c1nc(COc2ccc(O[C@H](C)C(N)=O)cc2)cs1 96429017 ZMGGYDBTHFHOPO-LLVKDONJSA-N 320.414 3.098 0 40 DGAB CCCc1ncc(CNCc2ccc(C3OCCO3)cc2)s1 95414136 VQXRNJULQXUSCB-UHFFFAOYSA-N 318.442 3.431 0 40 DGAB CO[C@@H](CCSC)CNC(=O)Nc1ccccc1Cl 1775968290 XNCGCOFYQQYFGN-JTQLQIEISA-N 302.827 3.230 0 40 DGAB Cc1ccc(OCCNC(=O)COc2cc(C)cc(C)c2)cc1 5704139 WYXLUCIYGNQNJL-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CCc1ccccc1NC(=O)c1c(O)c2ccccc2[nH]c1=O 12414618 ZVQADBFLWZQTBK-UHFFFAOYSA-N 308.337 3.048 0 40 DGAB COc1ccc(NCc2cc3ccccc3[nH]c2=O)cc1OC 13561389 ZNKZUGYTHYJMLQ-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB CC[C@@H](C)OC(=O)CNCCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 13751203 HRPHOCGNCCHABP-LDDOYCOJSA-N 311.466 3.149 0 40 DGAB C[C@H]1CCCN(C(=O)CCCNC(=O)c2ccc(Cl)cc2)C1 15952019 CAJHTYAYNZQRIR-ZDUSSCGKSA-N 322.836 3.109 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc(/C=C/C(=O)O)c2)c1 226322666 UJNOXYXAJVQWAZ-CMDGGOBGSA-N 311.337 3.110 0 40 DGAB Cc1ccc2nc(C)c(NC(=O)CC3CCCCC3)c(=O)n2c1 11612448 RKBNZHKCISBHEN-UHFFFAOYSA-N 313.401 3.220 0 40 DGAB CC(C)(C)OC(=O)N1CCC(OCc2ccc(C=O)cc2)CC1 26340357 WQFHJESQGSVMDW-UHFFFAOYSA-N 319.401 3.415 0 40 DGAB in-vitro Cc1cc(C(=O)Nc2cc(C(C)(C)C)no2)nc(C2CC2)n1 1888863976 ODKHJSJIUAKBJY-UHFFFAOYSA-N 300.362 3.200 0 40 DGAB COCc1c(C(=O)NC2=NCCS2)sc2cccc(F)c12 32740570 YTTRXEXABMZPJJ-UHFFFAOYSA-N 324.402 3.019 0 40 DGAB Cc1nnc(N2CCC[C@@H](COc3ncccc3Cl)C2)s1 2087124887 YWHGXRMMJIVKNK-LLVKDONJSA-N 324.837 3.190 0 40 DGAB Clc1ccc([C@@H]2NCCc3cc4c(cc32)OCCO4)cc1 140503 VJKFUDOPNYBESG-KRWDZBQOSA-N 301.773 3.346 0 40 DGAB CC(=O)N1CCCc2ccc(NC(=O)c3ccc(F)cc3)cc21 5154242 VKOKPMIVNQHAGH-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CCC2)c1ccco1 5252336 KULQIXBVSBCVQC-UHFFFAOYSA-N 310.353 3.221 0 40 DGAB CC1CCN(c2nc3[nH]c(=S)n(C(C)C)c(=O)c3s2)CC1 100070889 AYGMUYJJZBLCJX-UHFFFAOYSA-N 324.475 3.333 0 40 DGAB CC(C)(C)SCC(=O)Nc1cccc(N2CCOC2=O)c1 31928686 YEQBNPWVKLZZTQ-UHFFFAOYSA-N 308.403 3.113 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccoc1C 75602203 YEVURAVOVBYNOL-LBPRGKRZSA-N 307.781 3.261 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(C)ccc1C 583231 WTQZUIBMDGZRRR-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1nc(NCc2ccco2)c2cnn(-c3ccccc3)c2n1 1718480 QOMQABGEBKUCAM-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB O=C1Nc2ccccc2[C@H]1CCNc1ncnc2ccsc12 102466582 SXBSKOARTNTOCB-LLVKDONJSA-N 310.382 3.229 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 6502222 VNNNYCVXWHFSFB-KRWDZBQOSA-N 301.411 3.351 0 40 DGAB C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccccc1 483409 DAIGQSGMXDLIHE-GFCCVEGCSA-N 305.374 3.356 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)NC2CCC(C)CC2)CC1=O 7928161 KYFJUMVKNNQOPM-OGVSOVDVSA-N 314.429 3.043 0 40 DGAB O=C(CNC(=O)C1CC=CC1)Nc1cc(Cl)ccc1Cl 77733751 XBHPKVMURWLMBK-UHFFFAOYSA-N 313.184 3.014 0 40 DGAB Cc1ccc(N)c(C(=O)Nc2cc(Br)ccc2O)c1 94573640 HZCYPKUCURRNNI-UHFFFAOYSA-N 321.174 3.298 0 40 DGAB O=C(CSCc1cccnc1)N1CCC[C@H]2CCCC[C@H]21 41774941 SPZASPUAGKAEGY-HZPDHXFCSA-N 304.459 3.496 0 40 DGAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@@H]2CCC[C@H]21 53380531 PACBPVCFRSNFOX-CHWSQXEVSA-N 305.374 3.434 0 40 DGAB C[C@@H](NC(=O)CCOc1ccc(Cl)cc1)c1ccccn1 46740234 AJTYTSFSVPEWIK-GFCCVEGCSA-N 304.777 3.381 0 40 DGAB COC(=O)c1ccoc1COC(=O)c1ccc2ncsc2c1 24036214 WJDIACVSFJWOAP-UHFFFAOYSA-N 317.322 3.033 0 40 DGAB Cc1nccn1Cc1cccc(CNC(=O)C[C@H]2C=CCC2)c1 24756473 JQAWUWHZFIMDRA-INIZCTEOSA-N 309.413 3.212 0 40 DGAB Cc1ccccc1CC(=O)NCCCc1ccc(N(C)C)cc1 29977080 MHWIAYIWFHHXFK-UHFFFAOYSA-N 310.441 3.353 0 40 DGAB COC[C@@H](C)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086534 STRWWHJOAFKFDI-DGCLKSJQSA-N 315.335 3.304 0 40 DGAB O=C(NCC[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1-n1cccn1 107334461 VBDURKIXCQNKIZ-JYJNAYRXSA-N 309.413 3.428 0 40 DGAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cc(Cl)c[nH]1 57182913 MPORHGOZOPKYBV-UHFFFAOYSA-N 300.749 3.165 0 40 DGAB O=C(NCc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCC3 12526970 ZVFOVWAMWZZSSA-UHFFFAOYSA-N 305.381 3.372 0 40 DGAB CCOc1ccc(-c2csc(-n3nc(C)cc3N)n2)cc1 26421113 LUKKSIHMEMEFBL-UHFFFAOYSA-N 300.387 3.285 0 40 DGAB CCc1nc(CNC(=O)c2ccccc2-c2ccccc2)no1 107650010 XEFWKRXZUMUZFH-UHFFFAOYSA-N 307.353 3.229 0 40 DGAB CN(C)Cc1cccc(NC(=O)c2ccccc2-n2cccn2)c1 44504034 PCOQSFHKVBARKF-UHFFFAOYSA-N 320.396 3.186 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCN3)c1C 20431834 YIIKYMUSASMRPR-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB O=C1OC(c2ccc3ccccc3c2)=N/C1=C/c1csnn1 58173363 ZFLXXVWRWZUXQI-RIYZIHGNSA-N 307.334 3.036 0 40 DGAB COc1ccc(C(=O)COc2ccc(C(C)=O)cc2)cc1F 44868796 LSKCDJHOZMXVJE-UHFFFAOYSA-N 302.301 3.299 0 40 DGAB CCc1nnsc1C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1 44889482 FDUSCMFRKAEFFL-ONGXEEELSA-N 305.403 3.089 0 40 DGAB CC(C)Oc1cc(C(=O)NC[C@H]2CCCO2)cc2occc12 72240190 GNQAIKKTPDDSNG-CYBMUJFWSA-N 303.358 3.129 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2cc(Cl)cc(Cl)c2)n1 58328086 YCNPJAPCMKOWGL-ZCFIWIBFSA-N 300.145 3.176 0 40 DGAB O=c1c(Cl)c(Cl)cnn1Cc1nc2ccccc2s1 3379266 ZKCYBGINXDHNKZ-UHFFFAOYSA-N 312.181 3.208 0 40 DGAB COc1cccc(NS(=O)(=O)c2ccc(Cl)cc2F)c1 3347780 PDQLFSAZHHABNU-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB O=C(COC(=O)c1ccccc1F)NC1CCCCCCC1 3394546 JIVFLPGOJYSREO-UHFFFAOYSA-N 307.365 3.212 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCCCOC2CCCCC2)c1 11355944 IGGWIMRWXKAFEE-UHFFFAOYSA-N 318.417 3.114 0 40 DGAB c1ccc2c(-n3nnc4ccccc43)nc(-c3ccncc3)nc2c1 12815159 RADISSQAQZRJOX-UHFFFAOYSA-N 324.347 3.426 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC[C@@H](C)C1 3564544 WUKXYIILGZUMCM-LLVKDONJSA-N 310.825 3.327 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H]2CS[C@]3(C)CCC(=O)N23)c(C)c1 12988924 ZJXJYDCIJOIJBH-SUMWQHHRSA-N 318.442 3.004 0 40 DGAB Cc1cnn(C[C@@H](C)N[C@H](C)c2nnc(-c3cccs3)o2)c1 69739185 WBUZNKKDCGOFDB-VXGBXAGGSA-N 317.418 3.042 0 40 DGAB CCCC[C@@H]1CCC[C@H]1NC(=O)NC1CCC2(CC1)OCCO2 69766929 GTYHJQJVERPIOM-GDBMZVCRSA-N 324.465 3.330 0 40 DGAB c1ccc2c(OCCN3CCCN4CCC[C@H]4C3)cccc2c1 64570681 ZBJILUDGDOUFEK-SFHVURJKSA-N 310.441 3.389 0 40 DGAB COc1ccc2c(COC(=O)c3ccccc3)cc(=O)oc2c1 6065635 YKBMRNPQBYRMNO-UHFFFAOYSA-N 310.305 3.159 0 40 DGAB COc1ccc(-c2nc(C(=O)N[C@@H](C)C3CC3)cs2)cc1 14077802 ZJBMBRJTHIYRBT-JTQLQIEISA-N 302.399 3.347 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccc(F)cc1 8855883 BIKDIPZMPQOUDG-WEVVVXLNSA-N 313.328 3.226 0 40 DGAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(C)c1N 9314858 NGCNLWFEGDLQRC-ZDUSSCGKSA-N 312.369 3.070 0 40 DGAB CCCOc1ccccc1NC(=O)[C@H]1COc2ccccc2O1 5512589 XKTRNUSYGPNSSS-QGZVFWFLSA-N 313.353 3.254 0 40 DGAB CC1CCN(c2ccc(NC(=S)NC(=O)C(C)C)cc2)CC1 4703341 QCMNQVGMIZDYHW-UHFFFAOYSA-N 319.474 3.392 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccccc1OC 20111212 MUKJZRCCIFRCHS-INIZCTEOSA-N 313.397 3.477 0 40 DGAB CCC(C)(C)c1nnc(NC(=O)c2ccc(OC)cc2)s1 9426446 DAJVKINJJUUCCV-UHFFFAOYSA-N 305.403 3.487 0 40 DGAB CCc1cccc(NC(=S)N2CC(=O)Nc3ccccc32)c1 7353126 DPHRGKHKCPFXFD-UHFFFAOYSA-N 311.410 3.405 0 40 DGAB Cc1nnc([C@H](C)Sc2nnc(Cc3ccccc3F)o2)o1 67954622 ZTEBWTHKWJROHW-QMMMGPOBSA-N 320.349 3.344 0 40 DGAB CC(C)CCC[C@H](C)NS(=O)(=O)c1ccc(Cl)nc1 7787305 HUPFQNMHYDPTHB-NSHDSACASA-N 304.843 3.228 0 40 DGAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)c1nccn2ccnc12 81314398 BWRIMJOVJAHPPM-AWEZNQCLSA-N 320.396 3.343 0 40 DGAB CCCCSCCC(=O)N[C@@H]1COc2cc(F)cc(F)c21 96010262 ITXVZYJTRYQHJR-GFCCVEGCSA-N 315.385 3.438 0 40 DGAB O=C(CC1CCCCC1)NC1CCN(c2nccs2)CC1 96383806 AORBJLBLYVKCBU-UHFFFAOYSA-N 307.463 3.199 0 40 DGAB O=C(Nc1cncnc1N1CCCC1)c1coc2ccccc12 97137720 PENJZBAFONAYEZ-UHFFFAOYSA-N 308.341 3.075 0 40 DGAB O[C@@H]1CCCC[C@H]1NCc1cccc(OCc2ccccn2)c1 78724789 DKJWZCBJOSLPCM-RTBURBONSA-N 312.413 3.054 0 40 DGAB Cc1cc(C)c(C)c(S(=O)(=O)Nc2c(C)noc2C)c1C 84075070 JRKPNKQAHOTFKY-UHFFFAOYSA-N 308.403 3.326 0 40 DGAB Cc1ccnc(NC(=O)NCCCc2nc3ccccc3[nH]2)c1 97372804 UYOACEJVXKMIJY-UHFFFAOYSA-N 309.373 3.021 0 40 DGAB FC(F)(F)[C@@H]1CCCn2c(CNC3CCCCC3)nnc21 95402050 RIQLGVOTNBETAD-LLVKDONJSA-N 302.344 3.140 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccc(OC)cc2C)C1=O 409240832 IITKZUSUAMRNPS-GXDHUFHOSA-N 321.398 3.076 0 40 DGAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1oc(C)nc1C 88201181 UESZOSYMSYKCME-HNNXBMFYSA-N 313.401 3.162 0 40 DGAB O=S(=O)(Nc1cccc2c[nH]nc12)c1ccc(Cl)s1 25463850 CGESHTAPYGVFOB-UHFFFAOYSA-N 313.791 3.079 0 40 DGAB Cn1ccnc1CNc1ncc(Cc2cccc(F)c2)s1 95990264 FESSGYNDCZSKNF-UHFFFAOYSA-N 302.378 3.219 0 40 DGAB O=C(NCc1ccco1)N[C@H]1CCCOc2cc(F)ccc21 95990413 KCBOANJWFLGTTE-AWEZNQCLSA-N 304.321 3.132 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 74347860 FKTGHASRNUGPCR-QMMMGPOBSA-N 316.386 3.023 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](c1nccs1)C1CC1 74708718 LIIJVVYVVCXDIP-CYBMUJFWSA-N 320.418 3.041 0 40 DGAB Cc1ccc(CNc2ccc(NC(=O)CN(C)C)cc2)s1 89656610 OTUVCQOMDLVGCN-UHFFFAOYSA-N 303.431 3.169 0 40 DGAB O=C(N[C@@H]1CCCc2occc21)c1cccnc1N1CCCC1 89773241 LHIZYWYWFSROTN-OAHLLOKOSA-N 311.385 3.082 0 40 DGAB Cc1cc(C(=O)CS(=O)(=O)c2ccccc2)c(C)n1C1CC1 62687930 SDXYJKMOXYFBHC-UHFFFAOYSA-N 317.410 3.096 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCc1ccc(OC(F)F)cc1 39978539 PGDBXUJHUGBGGC-UHFFFAOYSA-N 323.314 3.329 0 40 DGAB COc1ccccc1/C=C1/NC(=O)N(Cc2cccc(C)c2)C1=O 409230581 ZQWHHUUHEJNUKP-LFIBNONCSA-N 322.364 3.097 0 40 DGAB COCCN1C(=O)S/C(=C/c2c(C)[nH]c3ccccc23)C1=O 409124678 BHTXGMWJBCZIIF-NTEUORMPSA-N 316.382 3.159 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)c1 36635358 BWKPCVNTGLJLLE-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1ccc(C2(C(=O)Nc3ncc(C)s3)CCOCC2)cc1 72265206 KCEJHVHYVZPOHN-UHFFFAOYSA-N 316.426 3.447 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cncs3)C2)c1 72368380 JRLVMSSADPJVMC-AWEZNQCLSA-N 316.426 3.383 0 40 DGAB Cc1cc(C(F)(F)F)nc([C@@H]2CCCN2c2ccnc(C)n2)n1 72367567 XKFBCDFZYPPIEG-NSHDSACASA-N 323.322 3.244 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN1C(=O)c1cccs1 33645113 CLWNWRDFRIWILD-RDBSUJKOSA-N 320.458 3.048 0 40 DGAB CCCNC(=O)Nc1cccc(OC(=O)c2csc(C)n2)c1 78446293 YQMYSYKQXLWAOJ-UHFFFAOYSA-N 319.386 3.202 0 40 DGAB Cc1ccc2[nH]cc(CCNS(=O)(=O)c3cccs3)c2c1 36612441 AGCQOWUBFPYTMR-UHFFFAOYSA-N 320.439 3.059 0 40 DGAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1 36635725 ZYMINGBVEWJNDH-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB O=C(NCCSC(F)(F)F)c1ccc(OC(F)F)cc1 40118578 ZZOZPKWDPRUQPJ-UHFFFAOYSA-N 315.263 3.271 0 40 DGAB COc1ccc(N(C)S(=O)(=O)c2cccs2)cc1Cl 130592966 MASDUUZFFDMLNG-UHFFFAOYSA-N 317.819 3.235 0 40 DGAB Cc1ncsc1CN(C)Cc1cc(C(=O)O)ccc1Cl 568061740 PZXWMRYJSSSFCA-UHFFFAOYSA-N 310.806 3.435 0 40 DGAB Cc1cnc(CS(=O)(=O)c2cc(C)c3ccccc3n2)s1 195072398 DYOXRVXXLMHLGS-UHFFFAOYSA-N 318.423 3.282 0 40 DGAB CCn1nc(C)cc1CNC(=O)c1ccc2[nH]c(C)c(C)c2c1 226745545 MNRRIONRDNVSPP-UHFFFAOYSA-N 310.401 3.240 0 40 DGAB CC[C@@H](C)NC(=O)CCc1ncc(-c2cccc(OC)c2)o1 224842593 VXBNEGPXOXDRAZ-GFCCVEGCSA-N 302.374 3.198 0 40 DGAB C[C@H](C(=O)NC1CCCCC1)N1C(=O)CCCc2ccccc21 227169001 BPDHQHDDOYJGKR-CQSZACIVSA-N 314.429 3.193 0 40 DGAB COC(=O)c1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 41627471 XVYZSXOEGLQOSF-UHFFFAOYSA-N 314.366 3.055 0 40 DGAB CCS(=O)(=O)c1ccc(NC[C@H](C)c2c(C)noc2C)cc1 225521542 XMAPJUSGHDOHCM-NSHDSACASA-N 322.430 3.301 0 40 DGAB COc1ccccc1C(=O)Nc1c(Cl)cc(N)cc1OC 227146942 VJQCJZILKYYNKL-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB COC1(CNC(=O)Nc2ccccc2C)Cc2ccccc2C1 225722740 ZAMHNEFOFAJNNJ-UHFFFAOYSA-N 310.397 3.301 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)N1CCC[C@@H](c2ncc[nH]2)C1 195532026 FWPJKPZERMQYKF-BZUAXINKSA-N 316.449 3.268 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@H]1CCO[C@@H]1C 97230581 BIXJRFMVJTWLAK-MNOVXSKESA-N 317.307 3.016 0 40 DGAB O=C(Cc1ccccc1Cl)Nc1cnn(C2CCOCC2)c1 96104607 LUJPCQQFWXEMOF-UHFFFAOYSA-N 319.792 3.069 0 40 DGAB CNC(=O)c1cccc(CCN[C@@H]2CCCc3sccc32)c1 95423018 YXIYGIQQOSIHEL-MRXNPFEDSA-N 314.454 3.317 0 40 DGAB CCO[C@@H](C)c1noc(CNC(C)(C)c2nc(C)c(C)s2)n1 96443575 ZROTYBKMYIXDTJ-JTQLQIEISA-N 324.450 3.265 0 40 DGAB Cc1cccc2c1ccn2CC(=O)NCCc1ccc(O)cc1 95473542 VHTVDNHKWJBYEZ-UHFFFAOYSA-N 308.381 3.014 0 40 DGAB CS[C@@H](CO)[C@@H](C)Nc1nc(C(F)F)nc2ccccc12 96417323 SAJPSYLGDMNXIS-KCJUWKMLSA-N 313.373 3.092 0 40 DGAB Cc1ccc(O[C@@H](C)CNC(=O)Nc2c(C)noc2C)cc1 96434387 YUJKSLJYAPUXFR-NSHDSACASA-N 303.362 3.189 0 40 DGAB Cc1csc([C@H](C)NC(=O)N[C@H](C)CCc2cccn2C)n1 96439757 JIKNHLDFZKBTIW-YPMHNXCESA-N 320.462 3.172 0 40 DGAB COC(=O)C[C@@H](C)S[C@@H](C)c1nc(-c2ccccc2)no1 96406315 MHZSWLJKYHQGAY-MNOVXSKESA-N 306.387 3.482 0 40 DGAB Fc1ccccc1CN1CC2(C1)OCC[C@H]2CCOCC1CC1 247527609 NRHJSVVWEUUQBV-QGZVFWFLSA-N 319.420 3.233 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3cc(CC(C)C)no3)CC[C@@]2(C)C1 257202629 AMROFQWYPBFLGO-KYJSFNMBSA-N 320.433 3.293 0 40 DGAB COC(=O)c1cc(C)c(OC(=O)c2ccc(F)cc2)c(C)c1 256050909 GYVSRPJQNLWCDL-UHFFFAOYSA-N 302.301 3.448 0 40 DGAB Cc1csc(C(=O)N2CCC[C@@]2(C)c2nccc(C)n2)c1 257340039 ZEGAWTUISZTIQN-INIZCTEOSA-N 301.415 3.306 0 40 DGAB Cc1c(C(=O)N2CCO[C@H](c3ccncc3)C2)oc2ccccc12 257249968 JKLGHGHZVXNALU-KRWDZBQOSA-N 322.364 3.350 0 40 DGAB CC[C@H](C)C(=O)Nc1ccc(OC)c(OC[C@@H]2CCCO2)c1 48189118 YAZRYHAHSZTMDX-JSGCOSHPSA-N 307.390 3.238 0 40 DGAB CCc1ncc(C(=O)Nc2ccc(-n3cnc(C)c3C)cc2)[nH]1 1553904879 JBXFUJXZUDSNQN-UHFFFAOYSA-N 309.373 3.027 0 40 DGAB Cc1ccsc1C(=O)N[C@H](CNC(=O)OC(C)(C)C)C1CC1 72294794 DDWHLCHZCWGBSO-GFCCVEGCSA-N 324.446 3.090 0 40 DGAB COc1cc2c(cc1CN(CCO)Cc1cccs1)CCC2 13997569 JXEHDLBSNBOJLK-UHFFFAOYSA-N 317.454 3.240 0 40 DGAB COC(=O)C[C@@H]1C[C@@H]2CC(F)(F)[C@@H](C1)N2Cc1ccccc1 169805744 XXNYMPPUQFEXAY-RBSFLKMASA-N 309.356 3.238 0 40 DGAB CCOc1cc(C(N)=O)ccc1OC(=O)c1cccc(Cl)c1 226307227 NSVCYHVJCVDADO-UHFFFAOYSA-N 319.744 3.057 0 40 DGAB CCC(CC)C(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8983078 ZWFJAVRQBFMVQB-GFCCVEGCSA-N 322.836 3.245 0 40 DGAB Cc1csc(Sc2ccc3nnc(C(F)(F)F)n3n2)n1 13104822 RVDVXECOVKQJJD-UHFFFAOYSA-N 317.321 3.059 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)NC1CCCCC1 14559795 LKXGZRHHCZCRNL-UHFFFAOYSA-N 315.417 3.377 0 40 DGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCN1 953018369 IPCUTCFTYVJMAT-FQEVSTJZSA-N 308.425 3.154 0 40 DGAB CCn1cc(C(=O)N2CC[C@@H](c3ncc(C)[nH]3)C2)c2ccccc21 2037677814 BDRMQRWGLLSOMB-CQSZACIVSA-N 322.412 3.322 0 40 DGAB CSC1=NCCN1C(=O)Cc1ccc(-c2ccccc2)cc1 4119758 FCKHCVPDOSUATA-UHFFFAOYSA-N 310.422 3.457 0 40 DGAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1ccccn1)CC3 11851929 WCAGUTNPAHHWQG-UHFFFAOYSA-N 300.317 3.134 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1cccc2nsnc12 42381385 KZWCXKSTFXJXLB-UHFFFAOYSA-N 310.338 3.014 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc21)c1c(F)cccc1Cl 75155666 FMMJYTLXTKXRKW-QGZVFWFLSA-N 319.763 3.043 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)cc1 31036480 IPHGFASLQCNQDH-CQSZACIVSA-N 316.332 3.129 0 40 DGAB COc1ccc(OC)c(C(=O)CC(=O)c2cc(C)ccc2O)c1 100474615 YYLCGABXQUDTOG-UHFFFAOYSA-N 314.337 3.174 0 40 DGAB biogenic O=C(Nc1ccc(F)c(Cl)c1)c1cn(-c2ccccc2)nn1 31874025 MEZFTANRNLPIDW-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NC1CCCCCC1 34271 DJNILWWJYAFHBB-AWEZNQCLSA-N 310.438 3.225 0 40 DGAB Cc1ccc(C(=O)C[C@@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 299980 ZMSRXEBXNZVEPE-FQEVSTJZSA-N 323.392 3.211 0 40 DGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCO2)N1CCCCCC1 8074148 NIXRHOLJRDFHJF-AATRIKPKSA-N 307.777 3.485 0 40 DGAB O=C(c1ccc(OC[C@H]2CCCO2)cc1)N1CCc2ccccc21 2626670 JXSGBJAPAOTPKX-GOSISDBHSA-N 323.392 3.447 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1cccs1)N(C)C 21556537 VYPOIPOBTXTHAI-LBPRGKRZSA-N 321.446 3.201 0 40 DGAB C[C@@H](NC(=O)N[C@H]1CCCN(C)C1)c1cccc2ccccc12 52500111 WFSBDTFFBUWMBH-ZBFHGGJFSA-N 311.429 3.294 0 40 DGAB CCOc1ccc(CNCCCSc2ncccn2)cc1 4984101 WDTSFRGZOSIFQC-UHFFFAOYSA-N 303.431 3.147 0 40 DGAB CCCCc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1 7055362 YZOAWFOONZQYFX-UHFFFAOYSA-N 308.403 3.435 0 40 DGAB CCc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 8085963 XKXFIOAPKVLGEU-UHFFFAOYSA-N 302.418 3.274 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)N[C@H]1CCCC[C@H]1C 8222023 WLSCLJJEZLVYFG-OCCSQVGLSA-N 320.458 3.432 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)no1 76043936 FUYSNHNZNADVDO-HUUCEWRRSA-N 311.385 3.026 0 40 DGAB COc1ccc(C(=O)NC(C)(C)c2nc3ccccc3[nH]2)cc1 535912 GFHKXZVWKBNUJQ-UHFFFAOYSA-N 309.369 3.237 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccccc1C 9064051 QSTJABHFXXVZES-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB O=C(CSc1ccccn1)NCCc1cccc2cccnc12 42148497 WXVPTRVRUUMMJY-UHFFFAOYSA-N 323.421 3.081 0 40 DGAB CSc1nccn1-c1cccc(C(=O)Nc2ccccn2)c1 42766909 RQFUPPAZMZZZPU-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB COc1ccc(NC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 24239987 GHNMPWWCCMECLU-UHFFFAOYSA-N 305.422 3.126 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 20046072 BSEVBIJSEUMTNE-FQPOAREZSA-N 307.271 3.017 0 40 DGAB Fc1ccc(CN[C@@H]2CCCN(c3cccnn3)C2)c(Cl)c1 105801978 SKIIEIVZBCPOJN-CQSZACIVSA-N 320.799 3.028 0 40 DGAB CCOC(=O)c1cc2cc(C(=O)Nc3cc(C)ccn3)ccc2[nH]1 24567600 XAZBKJUTEURRTJ-UHFFFAOYSA-N 323.352 3.300 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)c1cc(C2CC2)nc2ccccc12 110680820 OAGYRBYGLGLDJP-OCBCSQNSSA-N 308.381 3.162 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1ccccc1F)c1ccsc1 24741348 UOURWUDWYUKGMM-AWEZNQCLSA-N 307.394 3.312 0 40 DGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)NCC1CC1 25085120 NYNURCLKFMZLFL-UHFFFAOYSA-N 323.824 3.028 0 40 DGAB Cc1c([C@@H](C)OC(=O)Nc2ccccc2)sc2ncnn12 1404966 AOUUMBPBMVOBSP-SNVBAGLBSA-N 302.359 3.409 0 40 DGAB in-vivo O=C(COC(=O)c1ccncc1)Nc1cccc2ccccc12 3273217 PRNKNBLGONRUAO-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@H](C)c2ccncc2)C1 107063848 XOSDUTDKPYYULC-BPLDGKMQSA-N 307.463 3.458 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C 12657029 CLOCWBJYHSVCQD-RAIGVLPGSA-N 309.431 3.154 0 40 DGAB Cc1cc(C(=O)Cn2cnc3ccsc3c2=O)c(C)s1 26019796 FMVBNFLDZFJQHG-UHFFFAOYSA-N 304.396 3.019 0 40 DGAB CCN1CCC(N(C(=O)c2cc3ccccc3[nH]2)C2CC2)CC1 57371058 IZLMAOQBDBWMLL-UHFFFAOYSA-N 311.429 3.257 0 40 DGAB CC(C)n1ncc2cc(C(=O)NC3CCCCCC3)cnc21 26566630 XEZPFLBETQOUBP-UHFFFAOYSA-N 300.406 3.465 0 40 DGAB CCOc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 3346013 PODIFSXKDCZABI-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1ccc2ccccc2n1 48235935 IZJBHEGEBDCIMO-XIKOKIGWSA-N 320.348 3.402 0 40 DGAB CCOc1ccccc1CCC(=O)Nc1c(C)nn(C)c1C 48343805 RNQUCDCPDZVQGQ-UHFFFAOYSA-N 301.390 3.007 0 40 DGAB C1=Cc2ccccc2[C@H](CNC[C@H]2COc3ccccc3O2)O1 26895353 IGNDBFYZORRAOJ-KXBFYZLASA-N 309.365 3.158 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccc2c(c1)OCCO2 12986948 BLPPWFILDOOZHW-LLVKDONJSA-N 316.332 3.480 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cc(F)cc(F)c1 12925030 ZZFBRJITGRXLAF-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)Cc1ccc2c(c1)CCC2 8342410 IOJIBXSAYAPAPK-UHFFFAOYSA-N 323.392 3.105 0 40 DGAB C[C@H](Cn1cccn1)NCc1ccc(OCc2ccncc2)cc1 69452833 FHAZBSNYKFJLEM-MRXNPFEDSA-N 322.412 3.035 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCN(c2ccccc2)CC1 5094205 NMCGLARPSJETBQ-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB Cc1cccc(Cc2cnc(N3C(=N)SCC3=O)s2)c1 4384917 JKNQCYMWXZCFHN-UHFFFAOYSA-N 303.412 3.057 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2c(F)cccc2F)c1 6235842 RDBOFZJVPOEDTP-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB Cc1cc(NC(=O)C2CCCC2)n(-c2nc3ccccc3[nH]2)n1 5343955 ZWCWKOGFSPPIJA-UHFFFAOYSA-N 309.373 3.186 0 40 DGAB COc1ccc([C@@H](CNC(=O)c2cccc(C)c2)N(C)C)cc1 6509969 RSOAQLBYDFMKMT-GOSISDBHSA-N 312.413 3.036 0 40 DGAB O=C1O[C@H](/C(=C\Nc2ccc(F)cc2)[N+](=O)[O-])c2ccccc21 18144019 YERPVUPTRGZFEY-HNRFISLBSA-N 314.272 3.267 0 40 DGAB CSc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 7064815 AFULSZXNNYDWSK-UHFFFAOYSA-N 314.454 3.400 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1C[C@@H]1CCCO1 15517125 UEGATGGLCDXCDY-MAUKXSAKSA-N 324.380 3.138 0 40 DGAB COC(=O)c1cc(OC)c(OC)cc1NC(=O)CC1CCCC1 7688950 MUIFOCJUGSECAL-UHFFFAOYSA-N 321.373 3.009 0 40 DGAB O=C(c1cscn1)N1CC(OCc2cccc3ccccc23)C1 80941704 DUDGLBXLJSREKZ-UHFFFAOYSA-N 324.405 3.338 0 40 DGAB CCCc1cc(O)n2nc(SCc3ccc(C)cc3)nc2n1 18240915 MFKQODUNCNLLAS-UHFFFAOYSA-N 314.414 3.383 0 40 DGAB Cc1ccc([C@H](C)N[C@@H](C)Cn2ncc3ccccc3c2=O)o1 90937980 YSOPFTAXKUVMQR-JSGCOSHPSA-N 311.385 3.037 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc(C)o2)c1C 9050829 YLKCWZXQLDOKTM-GFCCVEGCSA-N 317.341 3.164 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1cc(-c2ccccc2)no1 9183912 TZSNLXMECKQZIZ-UHFFFAOYSA-N 312.300 3.498 0 40 DGAB COc1ccc(NC(=O)c2ccccc2Br)cc1N 20343261 GTDCNVNBJIZKMS-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CC(=O)Nc1cccc2c1ccn2CC(=O)Nc1ccccc1 96118812 PVWYFCDOJKXMEM-UHFFFAOYSA-N 307.353 3.238 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)c3ccccn3)C2)sc1C 72297349 WHMNLVGXUVUYBM-ZDUSSCGKSA-N 301.415 3.175 0 40 DGAB C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@@H]1CCCO1 71799642 MZZHPMWJAQMOJV-ZBEGNZNMSA-N 324.371 3.206 0 40 DGAB Nc1cc(Br)ccc1NC(=O)c1cccc(F)c1 20520923 KHLJKWGHECQNPV-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB Cc1c(NC(=O)NC2CCC(O)CC2)cccc1OC(F)F 71854974 IBQSCXCDYGOFGG-UHFFFAOYSA-N 314.332 3.021 0 40 DGAB CCO[C@H]1CCCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 71827138 IRIBCTKCDUDDJW-ZDUSSCGKSA-N 319.430 3.088 0 40 DGAB CCN(Cc1ccoc1)C(=O)N[C@@H](C)Cc1cccc(OC)c1 71903209 GNRRBRJROFUUAV-AWEZNQCLSA-N 316.401 3.451 0 40 DGAB Cc1ccc(C(=O)OCc2nnc(-c3cccs3)o2)cc1O 9737289 RDUINAITGKQLSS-UHFFFAOYSA-N 316.338 3.169 0 40 DGAB CC[C@@H](NCc1noc(C)n1)c1nc(C(F)(F)F)cs1 97111001 AIVHKWJCIQMIRS-SSDOTTSWSA-N 306.313 3.094 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@H]2CCc3ccccc32)c1 95422665 QBKSLCXODDZQMT-RBUKOAKNSA-N 313.397 3.014 0 40 DGAB Cc1ccc(C)c(OC[C@@H](O)Cn2nccc2-c2ccncc2)c1 95438846 MWVDIIQNKNZZDE-KRWDZBQOSA-N 323.396 3.002 0 40 DGAB CCn1ccnc1-c1cccc(NC(=O)[C@H](O)c2ccccc2)c1 95979509 YKLKYNCZYBIRJK-QGZVFWFLSA-N 321.380 3.242 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCC[C@@H]1Cc1ccccc1 95955150 IVECZZMCJPRQHY-MRXNPFEDSA-N 313.401 3.208 0 40 DGAB O=C(Nc1cc(-c2ccncc2)n[nH]1)[C@@H]1CSc2ccccc21 95960282 SXMHQXSRQPIBQX-CYBMUJFWSA-N 322.393 3.300 0 40 DGAB Cc1cc(CNCc2cnn(-c3ccc(Cl)cc3)c2)no1 95956021 OXXRTCSQTFGADG-UHFFFAOYSA-N 302.765 3.112 0 40 DGAB CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 79726328 JWDDUXAUORVTHG-JXFKEZNVSA-N 321.424 3.015 0 40 DGAB C[C@@H]1C[C@H]1[C@H](NC(=O)CSc1nccn1C)c1ccccc1 95959868 FIBALLJYLVQEON-XNRPHZJLSA-N 315.442 3.026 0 40 DGAB Clc1ccc2c(NCCCCN3CCOCC3)ccnc2c1 79927992 BEIJABYFOJJNBD-UHFFFAOYSA-N 319.836 3.413 0 40 DGAB CN(C)CC(=O)Nc1ccc(NCc2cccc(Cl)c2)cc1 89314176 HWMUSQHKRPHEAN-UHFFFAOYSA-N 317.820 3.452 0 40 DGAB O=C(Cc1ccccc1O)NCCc1c(F)cccc1Cl 89813513 LUXCZXHLYKIEOW-UHFFFAOYSA-N 307.752 3.086 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1cc(C2CC2)on1 25581067 ADTZTSQRSBEXCX-UHFFFAOYSA-N 315.354 3.199 0 40 DGAB O=C(c1ccccc1OC(F)(F)F)N1CC(C(F)(F)F)C1 551989183 WADGZBOORKHZFY-UHFFFAOYSA-N 313.197 3.220 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 72227974 WEZSOCJZLLOQNL-UONOGXRCSA-N 307.180 3.409 0 40 DGAB CCc1ccc(NCc2noc(C3CCOCC3)n2)cc1F 152465061 AEABXOFTUBNNLC-UHFFFAOYSA-N 305.353 3.277 0 40 DGAB CCN(Cc1nonc1C)C(=O)c1ccc(C(F)(F)F)cc1 32648145 MOSOKBZETDAKBN-UHFFFAOYSA-N 313.279 3.059 0 40 DGAB CCOc1ccc(C(=O)NCCCc2ccc(OC)cc2)cc1 79849345 HXOSUEDUVSMSFN-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB O=C(NCCCCn1ccnc1)N1CCC[C@]2(CC=CCC2)C1 79349363 ADWFWPIIRBUMNC-GOSISDBHSA-N 316.449 3.195 0 40 DGAB C[C@@H]1CCN(C(=O)Nc2ccc(OC3CCCC3)cc2)[C@@H]1CO 189746667 BCDPBDXZBRHBHR-CXAGYDPISA-N 318.417 3.243 0 40 DGAB C[C@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 72727879 VWKHXJLRUHCJJI-NSHDSACASA-N 312.866 3.031 0 40 DGAB CCc1nc([C@H](C)NC(=O)NCc2scnc2C)cs1 78925674 LRBFKNDQNJCOOU-QMMMGPOBSA-N 310.448 3.031 0 40 DGAB O=C(Nc1ccc(-n2cc(Cl)cn2)nc1)C1CCCCC1 72400786 ZOCXAEYVWMJMQG-UHFFFAOYSA-N 304.781 3.440 0 40 DGAB CC(C)c1nnc(CN2CCC[C@@H]2COc2ccccc2)o1 79090740 JJQQMEHNEYXBFZ-CQSZACIVSA-N 301.390 3.236 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C 222746304 LPMTVAYEOWTARK-AWEZNQCLSA-N 304.434 3.037 0 40 DGAB COc1ccc2oc(CN3CCC[C@H]3Cn3ccnc3)cc2c1 195573501 NLLGOAZKRSPCDJ-HNNXBMFYSA-N 311.385 3.303 0 40 DGAB CCCNC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 45772665 VZMWNTCTMHGXPI-UHFFFAOYSA-N 301.390 3.319 0 40 DGAB CCCCc1noc([C@@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123642 WZZUQAUVVSFMMT-CYBMUJFWSA-N 317.389 3.333 0 40 DGAB C[C@@H](NCc1ccnc(OCC(F)F)c1)c1cccc(O)c1 194942407 WPWUMDURRYZGAM-LLVKDONJSA-N 308.328 3.282 0 40 DGAB C[C@H](NC(=O)Nc1cccnc1)c1ccc(-n2cccn2)cc1 96434116 LAUHKCYSIUERQC-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB O=C(CCc1ccsc1)Nc1ccc(O[C@@H]2CCOC2)cc1 96416770 LUQXCOOPSPEFOQ-MRXNPFEDSA-N 317.410 3.487 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2cccc(F)c2F)n1 257323965 WMPLRJTWWTYTSW-AWEZNQCLSA-N 304.344 3.134 0 40 DGAB CC(=O)N1CCC[C@H](c2ccc(-c3ccccc3C(=O)O)cn2)C1 257260689 LDXJRXHUOVGYOB-HNNXBMFYSA-N 324.380 3.173 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N1Cc2cncnc2C1 96025525 FCPGRBUYJKHKOV-UHFFFAOYSA-N 308.263 3.043 0 40 DGAB Cn1cc(-c2nc(COc3ccc(F)cc3F)cs2)cn1 53515256 ZNZMJHMKDOPRNQ-UHFFFAOYSA-N 307.325 3.401 0 40 DGAB CCOC(=O)c1cc2cc(NCc3noc(C)n3)ccc2s1 95409865 FAHDFINIXVSBLU-UHFFFAOYSA-N 317.370 3.382 0 40 DGAB CC(C)S(=O)(=O)Cc1ccc(NCc2ccc(O)cc2)cc1 97104767 VMFPNGGVZUJILY-UHFFFAOYSA-N 319.426 3.328 0 40 DGAB CCOc1ccc(/C=C2/N=C(c3ccc(OC)cc3)OC2=O)cc1 430754 NKDPWYKKDUEVJD-SFQUDFHCSA-N 323.348 3.438 0 40 DGAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C)c(F)c1 5439396 CRKMFTDNPQVNKI-UHFFFAOYSA-N 303.333 3.469 0 40 DGAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(CC)cc2)n1 12312060 BMDBXHXDTZMUQQ-UHFFFAOYSA-N 316.426 3.260 0 40 DGAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 13710405 UKOGQDXRFRBJKN-ZDUSSCGKSA-N 313.353 3.438 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1Cl 15769831 USXBFTZCSXJFOE-CUFDPUGPSA-N 313.784 3.350 0 40 DGAB Cc1cccnc1NC(=S)NC(=O)c1ccccc1Cl 16363090 SMQBDASKGKPHEX-UHFFFAOYSA-N 305.790 3.170 0 40 DGAB COCCCN(Cc1ccccn1)Cc1ccc(F)cc1F 19593262 UTPUBPOHMBUQSK-UHFFFAOYSA-N 306.356 3.399 0 40 DGAB Clc1ccccc1-c1nc2ncnc(Br)c2[nH]1 206022892 NQXVHTVBLRAZDN-UHFFFAOYSA-N 309.554 3.436 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1nc2c(s1)C[C@@H](C)CC2 11696033 SBSUUNQSPGKORY-VIFPVBQESA-N 304.419 3.045 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)NC2(CCCCCC2)C1=O 23381285 JFVZCXYDXCBNPN-UHFFFAOYSA-N 323.481 3.203 0 40 DGAB Cc1cnc(C)c(OC2CCN(Cc3cccc(F)c3)CC2)n1 2087136683 QMZITFWZXLMCHQ-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1cccs1 8862552 WKAMNBICNJMVCR-CYBMUJFWSA-N 306.456 3.377 0 40 DGAB Cc1ccccc1NC(=O)NCc1cc(-c2ccncc2)nn1C 1775965773 HDSVDPCSOGJMJE-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB Cn1nccc1[C@@H]1CCCCN1C(=O)Cn1ccc2ccccc21 337144317 ZTOJPIGZYPVKCB-SFHVURJKSA-N 322.412 3.129 0 40 DGAB O=C(/C=C/c1cccs1)NCC[C@@H](CCO)c1cccs1 575606588 HWWKZYXSCNCRHQ-GFUIURDCSA-N 321.467 3.495 0 40 DGAB COC(=O)Nc1nc(CC(=O)Nc2cc(C)cc(C)c2)cs1 13575005 UFDJYMOVKDCQAI-UHFFFAOYSA-N 319.386 3.119 0 40 DGAB NC(=O)Nc1ccc(NC(=O)c2cccc(-n3cccc3)c2)cc1 40042897 NRPVHZMLQFACBE-UHFFFAOYSA-N 320.352 3.220 0 40 DGAB O=C(NCc1cccs1)c1ccc(OCC(F)(F)F)nc1 40034722 KHEFUOLUYHTZCS-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(C)cc3)C(=O)O2)cc1 35936 BWKNVAATTFZSEZ-GZTJUZNOSA-N 320.348 3.298 0 40 DGAB Cc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1 485409 OFFGTEDDSIZPLQ-UHFFFAOYSA-N 316.455 3.183 0 40 DGAB Cc1sc2ncnc(SCC(N)=O)c2c1-c1ccccc1 11990310 WUSQFPQDXBJONU-UHFFFAOYSA-N 315.423 3.244 0 40 DGAB COC(=O)c1nc(-n2nc(C)cc2C)sc1-c1ccccc1 3150396 QGBDDXCEGVFRJM-UHFFFAOYSA-N 313.382 3.399 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1ccccc1F 32876674 BYOAZHJXUGPGFD-LBPRGKRZSA-N 310.328 3.279 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)n1N)c1ccc(F)cc1 4537522 YREGXXZVNDJGBT-VIFPVBQESA-N 304.350 3.244 0 40 DGAB COc1cc([C@@H]2C[C@]3(C)OC(=O)[C@H]2C[C@@H]3C)cc(OC)c1OC 4783069 BFQBLOYFZKCMNH-YCTNLIARSA-N 320.385 3.158 0 40 DGAB CC(C)[C@H]1CCC[C@H](C)[C@H]1NCCOC(=O)c1ccc(N)cc1 4825141 SBOOCUVWKAXDSY-BMGDILEWSA-N 318.461 3.476 0 40 DGAB O=C(NC1CCCC1)/C(=C/c1ccco1)NC(=O)c1ccccc1 4954066 NPMGAOVXKXSUEL-LGMDPLHJSA-N 324.380 3.109 0 40 DGAB CCCCNc1ncnc2c1nnn2Cc1ccccc1Cl 4968031 SOWHNHPKNXJSQL-UHFFFAOYSA-N 316.796 3.135 0 40 DGAB O=C(C[C@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 47090580 AONIJDPTVIKJKY-ZIAGYGMSSA-N 314.385 3.103 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N[C@H](C)CCc1ccccc1 22008293 KUFPNNADHHGFHX-LLVKDONJSA-N 305.809 3.133 0 40 DGAB O=S(=O)(Cc1ccccc1)NC1CCC(C(F)(F)F)CC1 22760260 KMGPNPUKYFXVGG-UHFFFAOYSA-N 321.364 3.227 0 40 DGAB Cc1ccc(-n2nnc(C(=O)N3C[C@H]4CC[C@H]3C4)c2C2CC2)cc1 104119172 JSVGOJNRKOJILU-BBRMVZONSA-N 322.412 3.078 0 40 DGAB CCn1c(CN[C@H](C)[C@@H](C)n2cccn2)nc2c(F)cccc21 75606679 YMSUUVGULZRCEJ-CHWSQXEVSA-N 315.396 3.131 0 40 DGAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1cccc(F)c1 101276553 RIDXKKUJMOLAHD-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB O=C(Nc1cc(N2CCOC2=O)ccc1F)NC1CCCCC1 54511918 CBWXYFYFBMLPAK-UHFFFAOYSA-N 321.352 3.237 0 40 DGAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1c1cnn(C)c1 72255176 LZBSKHBSNYHBOZ-XJKSGUPXSA-N 323.400 3.368 0 40 DGAB C[C@@H](NC(=O)Cc1ccc2c(c1)CCC2)c1nc2ccccc2[nH]1 12547276 WRYJPZKBAMJLCX-CYBMUJFWSA-N 319.408 3.472 0 40 DGAB CCCCOc1ccc(C(=O)NCc2ccnc(OC)c2)cc1 12522220 OENLRLKOCAJODT-UHFFFAOYSA-N 314.385 3.199 0 40 DGAB CCc1nccn1[C@H]1CCCN(CCOc2cccc(C)c2)C1 106216968 MVGRJICQDGBWMJ-KRWDZBQOSA-N 313.445 3.470 0 40 DGAB CCc1nnc(NC(=O)c2ccc(Br)cc2)s1 16971801 ZSGOTBTWJVGQBC-UHFFFAOYSA-N 312.192 3.115 0 40 DGAB COc1ccccc1CCNC(=O)Nc1cc(F)cc(F)c1 43881865 ZKYXIDWDUZYJCJ-UHFFFAOYSA-N 306.312 3.338 0 40 DGAB CCCn1cc(C(=O)NC[C@H]2CCCN2CC)c2ccccc21 57030934 UFQXWWMVZFBYEI-OAHLLOKOSA-N 313.445 3.265 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccccc2C)cc1 1787441 UCTLNFWBGLGRAM-VAWYXSNFSA-N 309.365 3.499 0 40 DGAB C[C@H](NCc1csc(-c2ccco2)n1)[C@H](C)n1cccn1 69372310 ONYYUFADYAAHSA-RYUDHWBXSA-N 302.403 3.339 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)NCCC1=CCCCC1 3295418 LPHCTQWXBOXBPQ-UHFFFAOYSA-N 316.401 3.031 0 40 DGAB NCc1ccc(NC(=O)c2cccc(Br)c2)cc1 20224329 VSQQXORVWMVYDJ-UHFFFAOYSA-N 305.175 3.160 0 40 DGAB Cc1cc(NC(=O)N2CCC(Nc3ccccc3C)CC2)no1 58157410 ODDCQOZWWUIQRJ-UHFFFAOYSA-N 314.389 3.400 0 40 DGAB COC(=O)Nc1ccc(N[C@@H](C)c2cnc(C)nc2C)cc1 97037448 LZTAQPWPEYJIJY-NSHDSACASA-N 300.362 3.445 0 40 DGAB CC[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 58156013 YIVDCHLCVLOITE-HNNXBMFYSA-N 321.417 3.439 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC=CCC1)c1nc(-c2ccc(F)cc2)no1 58279601 UBLWQGIKFNHNNF-WCQYABFASA-N 315.348 3.409 0 40 DGAB COc1ccc2[nH]cc(C3=CCN(c4ncccn4)CC3)c2c1 58406580 NJUNPVKQUPKLCZ-UHFFFAOYSA-N 306.369 3.260 0 40 DGAB CC1(C)CN(C(=O)c2cc(Cl)c3c(c2)OCCO3)C1(C)C 76094702 FOKKURCEZLHOSL-UHFFFAOYSA-N 309.793 3.372 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)COC(=O)C=C(C)C 3376423 PWPVEAYMJUGHSS-UHFFFAOYSA-N 311.765 3.105 0 40 DGAB O=C(N[C@H]1CCCc2cc(OC(F)F)ccc21)N1CCCC1 58523027 UCYHYWPHWAPPCO-AWEZNQCLSA-N 310.344 3.471 0 40 DGAB O=C(CN1CCCc2cccc(F)c21)N1CCc2ccccc21 36393128 QIZKANDQPCQLIO-UHFFFAOYSA-N 310.372 3.168 0 40 DGAB O=c1[nH]ncc(NCc2ccccc2OC2CCCC2)c1Cl 48299807 XTSAXVXZBOERFG-UHFFFAOYSA-N 319.792 3.357 0 40 DGAB CCC[C@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 11595546 UQJLWLQLEACKPJ-AWEZNQCLSA-N 322.412 3.398 0 40 DGAB Cc1occc1C(=O)NCc1ccc(N2CCCCCC2)nc1 48325819 QBAYFRCAIFJFPU-UHFFFAOYSA-N 313.401 3.293 0 40 DGAB CCCCS[C@@H](C)C(=O)NCc1ccc(-n2cccn2)cc1 48367292 FRDJQOKLDIHTOQ-AWEZNQCLSA-N 317.458 3.410 0 40 DGAB COc1cccc(CCC(=O)N[C@@H]2CCCC[C@@H]2C)c1OC 23293257 YRHURUXETVPOKU-DZGCQCFKSA-N 305.418 3.331 0 40 DGAB COC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccc(C)cc1 13007030 KBDZASUURUKACX-MRXNPFEDSA-N 316.401 3.164 0 40 DGAB O=C(Nc1ccccc1F)c1ncn(-c2ccc(Cl)cc2)n1 17193677 YZCVKFNGYBWHLR-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=c1[nH]c(COc2ccccc2)nc2sc3c(c12)CCCC3 5093658 FHMRKIFUOTZLRC-UHFFFAOYSA-N 312.394 3.442 0 40 DGAB COc1ccc(CNC(=O)c2cccc(Cl)c2)cc1OC 6285211 VJFGCXBFZVSWDC-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(c1c[nH]nc1-c1ccccc1)N1CCC(n2cccc2)CC1 65592904 NXDUSIBTIZUQIE-UHFFFAOYSA-N 320.396 3.356 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)c(F)c1 5347608 ODAGVORTURAPPL-UHFFFAOYSA-N 303.308 3.471 0 40 DGAB Cc1ncsc1C(=O)NC1CCN(CC2CCCCC2)CC1 65609018 MNTVRJGKFZIKGI-UHFFFAOYSA-N 321.490 3.226 0 40 DGAB COc1cccc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 65607874 YRTPOGUQTUIBRK-LBPRGKRZSA-N 319.430 3.165 0 40 DGAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1OCC 5466482 ONRXMOWDAPBDFO-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)O)c2C)c(C)c1 65844475 WWUJLFPXKZSLOH-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1cc(O)c(-c2cc(C(=O)NCc3ccccc3)[nH]n2)cc1C 5690913 GASUACRRSPUEFT-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB CN(Cc1c(F)cccc1Cl)[C@H](C(N)=O)c1ccccc1 14709892 ODEHDAUXXXITDJ-HNNXBMFYSA-N 306.768 3.138 0 40 DGAB COc1ncnc2c1sc1nc(C)c3c(c12)CC(C)(C)OC3 4812514 ZJGOPJYMGAHALT-UHFFFAOYSA-N 315.398 3.408 0 40 DGAB Cc1nc2cc(NC(=O)COc3ccccc3F)ccc2o1 7036604 XWZUVHHNGDXESL-UHFFFAOYSA-N 300.289 3.293 0 40 DGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)cc1 7215302 DGPHEXRTIKUQNL-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB Cc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)cc1C 15860724 NFGDGWKRMMNGEW-INIZCTEOSA-N 310.397 3.401 0 40 DGAB CC(C)(C)OC(=O)C[C@H](Nc1cc2ccccc2s1)C(=O)O 64219616 XBTDIPDXBTXTSI-NSHDSACASA-N 321.398 3.498 0 40 DGAB CC(=O)c1cccc(NC(=O)c2nn(-c3ccccc3)nc2C)c1 7968830 DZNMJZNWFNPZIW-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB Cc1cc(C(=O)Nc2ccc(OCC(F)(F)F)cc2)on1 9317032 HPUXBTMWBQZFIW-UHFFFAOYSA-N 300.236 3.176 0 40 DGAB O=C(CC1(CC(=O)N2CCCCC2)CCCC1)N1CCCCC1 71795035 NFFBEDXYPCUCHA-UHFFFAOYSA-N 320.477 3.352 0 40 DGAB CCCN(CC(=O)O)[C@@H](C)c1ccccc1Br 83662624 NUIOAQFSEKLIPM-JTQLQIEISA-N 300.196 3.307 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)c1cc(Cl)c2c(c1)OCO2 71820715 OZPVVZPTNLDQJQ-SECBINFHSA-N 323.801 3.491 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@H]2CCCC[C@@H]2C1 71835126 KIEKIZTUAAZXQH-HZPDHXFCSA-N 324.424 3.040 0 40 DGAB CC[C@H]1Oc2ccc(N)cc2N(Cc2ccc(F)cc2)C1=O 19954214 CJENEWGKUARVAI-OAHLLOKOSA-N 300.333 3.112 0 40 DGAB Cn1cc(C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)cn1 97203051 IZBIKRNYJYGVSO-UHFFFAOYSA-N 302.422 3.085 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@@H]1C[C@H](O)c1ccco1 84553139 CRENNGCUHUJRJR-CABCVRRESA-N 300.358 3.400 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Cc2nc(C3CC3)no2)CC1 95394428 GOGVZIKTOLDFDQ-UHFFFAOYSA-N 307.394 3.137 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@H](C)OC2CCCCCC2)s1 95415243 KOVMGTDYYXCRJG-NSHDSACASA-N 310.419 3.412 0 40 DGAB Cc1ccc(C(=O)N2CCSCC2)cc1NCc1ccoc1 95428886 HHJHPQPJMAACSO-UHFFFAOYSA-N 316.426 3.389 0 40 DGAB O=C(CCc1ncc(-c2ccccc2)o1)NCCc1ccncc1 79480750 YJLQOOOPGAXYEP-UHFFFAOYSA-N 321.380 3.028 0 40 DGAB COc1ccc(OC2CCN(Cc3c(C)noc3C)CC2)cc1 95951797 BTFTZYATHLDXHH-UHFFFAOYSA-N 316.401 3.343 0 40 DGAB COc1ccc(C(=O)Sc2nnc(-c3ccncc3)o2)cc1 408599062 OEWLYDSKPRGQMA-UHFFFAOYSA-N 313.338 3.073 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(N)cc2OC)c1 66141406 YDWYEDQRNNVMPJ-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB C[C@@H]1CCCN(c2ccc(C(=O)NCc3ccccc3)cn2)C1 20098091 GLBZPJVELAFNCT-OAHLLOKOSA-N 309.413 3.248 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)c1cc2cc(Cl)ccc2o1 177666690 ZMYUPNWJGRGIDW-UHFFFAOYSA-N 316.744 3.346 0 40 DGAB CCCCCC[C@H](C)NC(=O)CSc1nnc2ccccn12 32745196 XDTWQNMJITYBBB-ZDUSSCGKSA-N 320.462 3.297 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cnccc2C)cc1 72211407 NFVBDMQPDRNHLA-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB CCN(CC)C(=O)CCc1nc(-c2ccccc2Cl)no1 33728207 MKYLNSJUVIKMAU-UHFFFAOYSA-N 307.781 3.191 0 40 DGAB Cc1cccc(CNC2CCN(CCc3ccncc3)CC2)c1 78394261 UALOUTALCSCHOB-UHFFFAOYSA-N 309.457 3.187 0 40 DGAB CN(C)c1ccc(CCCNC(=O)CCc2cccs2)cc1 32818573 CVKUFDMFMOAMHA-UHFFFAOYSA-N 316.470 3.496 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C(=O)N1CCCCC1)c1ccccc1 62064196 AIOJVKFAZBSPMS-OAHLLOKOSA-N 318.417 3.265 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCN(C2CC2)C[C@@H](C)C1 560325581 LEZIRYYCVOIPGE-GFCCVEGCSA-N 321.490 3.131 0 40 DGAB O=C(Nc1cc(F)ccc1SCC(F)F)[C@@H]1CCCO1 78189350 XKGZCVKENUIYNZ-JTQLQIEISA-N 305.321 3.300 0 40 DGAB Cc1ccnc(-c2noc(COc3ccc4c(c3)CCCO4)n2)c1 561242416 CTIRUCFAVRVLLD-UHFFFAOYSA-N 323.352 3.344 0 40 DGAB COc1cccc(CNc2ccc(S(C)(=O)=O)cc2C)c1 79311347 LXFDHISBFLNSQE-UHFFFAOYSA-N 305.399 3.019 0 40 DGAB C[C@]12C[C@H](NC(=O)N1c1ccc(C(=O)O)cc1)c1ccccc1O2 45918757 LKYVDEVHSWVJOR-KSSFIOAISA-N 324.336 3.154 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(F)s2)cc1 225387972 AAZDZQIKPHMPHI-UHFFFAOYSA-N 301.364 3.087 0 40 DGAB CCOC(=O)C(C)(C)COc1ccc(Br)cc1 575442695 IFFHYCGHZLVBNN-UHFFFAOYSA-N 301.180 3.417 0 40 DGAB COCc1ccccc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 44550708 YYTZGBHXMNTPBZ-SJKOYZFVSA-N 313.353 3.000 0 40 DGAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225737884 ZFDNNYKLRPDDIX-KRWDZBQOSA-N 323.389 3.074 0 40 DGAB Cc1cccc(Cl)c1NC(=O)N[C@@H]1CC(=O)N(C(C)(C)C)C1 132964874 ACIIMVWXCANSBJ-LLVKDONJSA-N 323.824 3.169 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)CCCc2ccccc2)n1 40714461 ZUNQDVZBQQCSFM-INIZCTEOSA-N 313.401 3.455 0 40 DGAB O=C(c1snnc1-c1ccc(F)cc1)N1CCCCCC1 225780744 IBLCJBGTYQHDQZ-UHFFFAOYSA-N 305.378 3.360 0 40 DGAB O=C(O)c1ccc2c(c1)C(=O)N(C1CCCCCCC1)C2=O 41127921 FHPUMRCOFCYLKU-UHFFFAOYSA-N 301.342 3.094 0 40 DGAB CCCOC(N[C@H](C)c1ccc(OC)c(OC)c1)OCCC 24717744 NSIJAAAOSVVHJI-CYBMUJFWSA-N 311.422 3.491 0 40 DGAB biogenic COC(=O)CCC(=O)c1ccc(Br)c(Cl)c1 234686069 LNIBERAIOQSJPJ-UHFFFAOYSA-N 305.555 3.238 0 40 DGAB CC[C@H](NC(=O)N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 96440164 DYUFENRMBZOOFA-BBRMVZONSA-N 315.421 3.371 0 40 DGAB Cc1ccc([C@@H]2CCCCCN2C(=O)CCN2CCCC2=O)o1 96414191 BDLOIZFLNXDJTD-HNNXBMFYSA-N 318.417 3.044 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccccc3C(F)(F)F)C2)n1 257262030 LJRZNQMELCWQOA-LLVKDONJSA-N 323.318 3.367 0 40 DGAB Cc1cc(C(=O)N2CC[C@H](c3ccc4cccnc4n3)C2)ns1 585131345 SGTRYPPYAGXCNC-ZDUSSCGKSA-N 324.409 3.024 0 40 DGAB Cc1cccc([C@H](C)NC(=O)c2cnc(C3CC3)nc2O)c1C 585134252 KBODMNVAIFFXDT-LBPRGKRZSA-N 311.385 3.167 0 40 DGAB Cc1cncc([C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257306243 STKPSUFHEOIQAP-OAHLLOKOSA-N 320.396 3.286 0 40 DGAB CCCCn1cc(CN2CC[C@H](c3[nH]ncc3C)C2)c(C)n1 257337653 YTTWLHQGOBQBFL-HNNXBMFYSA-N 301.438 3.013 0 40 DGAB CCCN(CCO)C(=O)Nc1ccccc1SC(F)F 69420646 FYVYYODRTHBBMG-UHFFFAOYSA-N 304.362 3.238 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cc2ccccc2o1 97000219 URELPXJEAMHCLY-CYBMUJFWSA-N 301.342 3.292 0 40 DGAB C[C@H](c1ccccc1F)N(C)C(=O)[C@H]1CCC[C@H](C(=O)O)C1 108657274 QUNKEZSMBNOLRJ-AGIUHOORSA-N 307.365 3.236 0 40 DGAB Cc1nc2ccc(NS(=O)(=O)c3c(C)noc3C)cc2s1 13061709 RAZBPTRPMHMVHH-UHFFFAOYSA-N 323.399 3.010 0 40 DGAB COc1ccc2[nH]c(=O)c(CN(C(C)=O)c3ccccc3)cc2c1 5901503 HWHMZODZGQXCSU-UHFFFAOYSA-N 322.364 3.090 0 40 DGAB Cn1cc([C@@H]2CCCCCN2C(=O)c2ccc(F)cc2)cn1 12232528 RRAVXYJXUQUGPK-INIZCTEOSA-N 301.365 3.317 0 40 DGAB COc1cc(NC(=O)CCC(=O)c2cccs2)cc(OC)c1 15075819 ISYJRPNOSIQJGK-UHFFFAOYSA-N 319.382 3.367 0 40 DGAB CC(C)C(=O)Nc1cc(/C=C/C(=O)O)ccc1Br 226357251 LBGZKULOVNLRGO-GQCTYLIASA-N 312.163 3.141 0 40 DGAB Cc1cnc(C(=O)Nc2cc(C)nn2-c2ccccc2)c(F)c1 1889191953 UPBGQUFXUGJVSQ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1ccc(O[C@@H]2CCN(C(=O)CCc3ccccc3)C2)nc1 238970198 ZIIYTFDBYBCUTB-QGZVFWFLSA-N 310.397 3.003 0 40 DGAB CCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@](C)(CC)C3 8672073 IIKKMZYVPBZJGE-CQSZACIVSA-N 310.444 3.338 0 40 DGAB aggregator COc1cccc(S(=O)(=O)CCO[C@H]2CCCC[C@@H]2C)c1 40153116 VMTNFAVJUSKIAK-BBRMVZONSA-N 312.431 3.064 0 40 DGAB COc1cc(NCCc2scnc2C)cc(OC)c1OC 50284625 ZVQFQLIOQHLRND-UHFFFAOYSA-N 308.403 3.132 0 40 DGAB Cn1ncc(C(=O)NC2CCCCCCC2)c1-n1cccc1 30860894 CFXVRXFMRJOTNS-UHFFFAOYSA-N 300.406 3.054 0 40 DGAB CC(C)C(=O)Nc1nnc(Sc2ccc(N(C)C)cc2)s1 184245 JCTRMTIKZOFMCI-UHFFFAOYSA-N 322.459 3.350 0 40 DGAB aggregator O=S(=O)(CCNC1CCCCC1)c1ccc(Cl)cc1 165485 XOFWAPGMHFSSTA-UHFFFAOYSA-N 301.839 3.036 0 40 DGAB O=C(NCC[C@@H]1CCCO1)c1ccccc1C(=O)c1ccccc1 29653407 DLCPQMCEPUHMCX-INIZCTEOSA-N 323.392 3.217 0 40 DGAB CN(Cc1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C(N)=O)cc1 18079882 YHKGDIWGBOQHDI-UHFFFAOYSA-N 324.424 3.355 0 40 DGAB COc1ccc([C@@H](C)NCc2c[nH]nc2C)cc1Br 37105999 QPSAYMWHIQPPEY-SECBINFHSA-N 324.222 3.340 0 40 DGAB CN(Cc1nc2ccccc2s1)C(=O)c1ccc2[nH]cnc2c1 32740962 OICUXNYEOGYKBR-UHFFFAOYSA-N 322.393 3.445 0 40 DGAB CCOC(=O)c1ccnc2ccc(OCCN(CC)CC)cc12 1688977 NEOWUHQJEXZKSM-UHFFFAOYSA-N 316.401 3.132 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104650 GJIBJVBLAWRXQL-GPKIVMKLSA-N 316.441 3.448 0 40 DGAB biogenic,in-vitro C[C@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccccc2)n1 32940422 IYIMSJCATXFOSV-AWEZNQCLSA-N 303.365 3.464 0 40 DGAB O=C1COc2cc(C(=O)Nc3ccc(Cl)cc3F)ccc2N1 21888885 YTLUMSJSKHFKQK-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB C[C@@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 33050300 TWPCEOVMXIBGSO-SNVBAGLBSA-N 322.817 3.324 0 40 DGAB C=CCOc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1 7603535 KQPUHHBBIKNMTD-LCYFTJDESA-N 318.354 3.161 0 40 DGAB Cc1cccc(C)c1OC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7657980 MDVKITIFTHLTBN-QGZVFWFLSA-N 323.392 3.258 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)Cc2ccc(C)cc2)cc1 10110593 HHLLIQIDPOWMRW-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)CCc2nc(C(C)(C)C)no2)[C@@H]1C 41807394 CFYBRMHHPJEEMB-JHJVBQTASA-N 307.438 3.241 0 40 DGAB Cc1cccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 22464973 JAVLWOGHMDIWHB-ZDUSSCGKSA-N 312.369 3.471 0 40 DGAB CN(C)C[C@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105881573 VZIXRHGIXNWFBT-OWLYRPNTSA-N 300.446 3.232 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1)N1CCC[C@@H](O)C1 110623233 DLXTZBOBKPZXQX-MGPQQGTHSA-N 314.212 3.080 0 40 DGAB COc1ccc(NC(=O)NCc2sc(C)nc2C)cc1C 76069661 VPAQEMFBQYOTGY-UHFFFAOYSA-N 305.403 3.399 0 40 DGAB CCC[C@@H]1CCCN(C(=O)Nc2ccccc2CC(N)=O)CC1 61750974 CRLBYJGZJHYHCG-CQSZACIVSA-N 317.433 3.149 0 40 DGAB COc1cc2c(cc1CN1[C@@H]3CC[C@@H]1c1cccnc1C3)OCO2 100198411 BSEMQYPMCSTCQM-CZUORRHYSA-N 324.380 3.081 0 40 DGAB Cc1ccccc1NS(=O)(=O)C[C@@]12CC[C@H](CC1=O)C2(C)C 100844012 BWUWIAPCSTVYSV-DYVFJYSZSA-N 321.442 3.132 0 40 DGAB Cc1cc(NC(=O)CN[C@@H](c2ccc(F)cc2)C(C)C)no1 57273629 KOTLYXJYOIZHCI-MRXNPFEDSA-N 305.353 3.048 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NCCCCN1CCCC[C@@H]1C 58331088 REHZAXUZVBMPGG-UONOGXRCSA-N 321.465 3.166 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)c1cc(F)ccc1F 28221451 TYNGSHSUHGKONH-UHFFFAOYSA-N 318.308 3.131 0 40 DGAB C[C@@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCNC1 62114785 YIEPBEJGEPRJJV-UWVGGRQHSA-N 301.217 3.122 0 40 DGAB C[C@H]1C[C@@H](C)CN([C@H](C)C(=O)NCc2ccccc2Cl)C1 36436188 VLZHKZHVGVXWQY-HZSPNIEDSA-N 308.853 3.323 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NCc1nc2ccccc2o1 11037936 GRUXQNDTHFXUKQ-UHFFFAOYSA-N 316.382 3.152 0 40 DGAB CCOc1ncccc1CNC(=O)Cc1c(C)[nH]c2ccccc12 29081622 XWRSYXIYAIEDHR-UHFFFAOYSA-N 323.396 3.129 0 40 DGAB CC(C)CCNC(=O)Nc1ccc(F)c(N2CCCC2=O)c1 48236434 KGBCEJJCUQGGLV-UHFFFAOYSA-N 307.369 3.120 0 40 DGAB O=C(CSc1ccccc1F)Nc1ccc2c(c1)OCO2 3473665 VJGLBXGDLLIGJY-UHFFFAOYSA-N 305.330 3.285 0 40 DGAB Cc1[nH]c2ccc(C(=O)NC[C@@H](C(C)C)N(C)C)cc2c1C 12914730 FEUKFDSXMPFZOP-KRWDZBQOSA-N 301.434 3.101 0 40 DGAB Cc1c(NC(=O)N2C[C@H](C)O[C@@H](C)C2)cccc1OC(F)F 69892929 BMAMCRUQVWTUAH-UWVGGRQHSA-N 314.332 3.238 0 40 DGAB CCOC(=O)C1=C(N)C[C@H](c2ccccc2)N[C@@H]1c1ccccc1 20494379 QHPMSQMNAPOMBZ-IEBWSBKVSA-N 322.408 3.238 0 40 DGAB CC[C@@H](NC(=O)CCOc1ccccc1)c1nc(C)cs1 69970852 KMBKUQSPCNBVRK-CQSZACIVSA-N 304.415 3.488 0 40 DGAB COc1ccc(C)cc1NCC(=O)Nc1ccccc1OC 8728689 UMTOCQZFUIQAFW-UHFFFAOYSA-N 300.358 3.063 0 40 DGAB Cc1c(C(=O)Nc2ccncc2)oc2c1[C@@H](O)CC(C)(C)C2 5270422 JYDJOIIFNGNVOP-LBPRGKRZSA-N 300.358 3.241 0 40 DGAB COc1ccc(CN(C(=O)Nc2cc(C)on2)C2CC2)cc1 14085242 GQDLHTQHXMKLBI-UHFFFAOYSA-N 301.346 3.188 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)C1(c2ccccc2)CC1 65549820 POWSSLPDBLNZEX-UHFFFAOYSA-N 317.392 3.220 0 40 DGAB CC(=O)NCc1ccc(-c2csc(-c3ccccc3O)n2)o1 65515356 HLBDXORKPULLHM-UHFFFAOYSA-N 314.366 3.412 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)on2)cc1 9314236 LTZLCCDCSGYDKK-UHFFFAOYSA-N 322.320 3.381 0 40 DGAB Cc1cc(C)cc(-c2nnc(S[C@H]3CCCCNC3=O)o2)c1 14183131 WCAMUGAYWPRODI-ZDUSSCGKSA-N 317.414 3.114 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccccc1Cl)c1n[nH]c(=S)n1C 5444183 CSGRIJOOFQTMAT-LLVKDONJSA-N 324.837 3.258 0 40 DGAB COc1ccc(CN(C(=O)[C@H]2Cc3ccccc3O2)C2CC2)cc1 7116266 CEJGSJMXFKKLDA-LJQANCHMSA-N 323.392 3.190 0 40 DGAB Cc1ccc2c(c1)CCCN2Cc1cc(=O)n2cc(C)ccc2n1 7494246 ZKTRSWKPAXGNDJ-UHFFFAOYSA-N 319.408 3.264 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccccc2)o1 16377469 KGAIKTLZMDTZQI-LSDHHAIUSA-N 300.402 3.286 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)CC2CCOCC2)n(C)n1 96444841 IJUSJSGIQVHOKN-UHFFFAOYSA-N 313.401 3.151 0 40 DGAB Clc1cc2c(c(CN3CCC(n4ccnc4)CC3)c1)OCC2 97084340 ZQRXFDKGERMTSE-UHFFFAOYSA-N 317.820 3.309 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)n1 71870306 YIDZHHXHRRECPH-MJGOQNOKSA-N 323.440 3.221 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NC1CC=CC1 97080595 DRPBDIMAHPKOJS-HNNXBMFYSA-N 302.422 3.372 0 40 DGAB CCC[C@@H]1SCCN1C(=O)c1ccc2c(c1)NC(=O)CS2 72289976 AKYLBFRDBHGBPN-AWEZNQCLSA-N 322.455 3.046 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)CCCn2cccn2)n1 72273906 QBLXCRZTCUEWEF-CQSZACIVSA-N 318.446 3.182 0 40 DGAB CCc1nc(Cl)c(C)c(NC[C@@H]2COc3ccccc3O2)n1 72307760 WEKMWXFCDAKCLA-LLVKDONJSA-N 319.792 3.253 0 40 DGAB C[C@H](Nc1ccc2[nH]ccc2c1)C(=O)NCCc1ccccc1 95427778 RSFBQGWDYAWXNY-AWEZNQCLSA-N 307.397 3.327 0 40 DGAB C[C@H](Cc1ccccc1Cl)NC(=O)N[C@H](C)c1cnn(C)c1 95404505 PGPXVCKCSOUZES-VXGBXAGGSA-N 320.824 3.065 0 40 DGAB C[C@@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 95463502 UDNJZZKHWSPBAF-KDOFPFPSSA-N 317.429 3.443 0 40 DGAB Cc1oc(CN(C)C(=O)c2cccc3ncccc23)cc1C(=O)O 95425075 OTWYOTFRMUNROO-UHFFFAOYSA-N 324.336 3.107 0 40 DGAB O=C([C@@H]1CCOc2ccccc21)N1CCOc2ccc(F)cc21 88264815 UOJGCYAIUOLJCS-CQSZACIVSA-N 313.328 3.117 0 40 DGAB CSCc1cc(NC(=O)N(C)CC[C@@H](C)O)ccc1Cl 85600621 QUTOVOQNQOMSFS-SNVBAGLBSA-N 316.854 3.438 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1CCOCC1 23272062 IHNQTNPIZKAQRL-UHFFFAOYSA-N 316.323 3.137 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 75105094 QGJNVDQHOKYHSW-AWEZNQCLSA-N 317.458 3.027 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 110693396 VISPBCRVSAADKV-XNRPHZJLSA-N 322.474 3.249 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc2C1)n1ccc(C(F)(F)F)n1 27974036 STYYFGNJTDLGQC-LLVKDONJSA-N 323.318 3.048 0 40 DGAB CON(C)C(=O)c1cnn(-c2cccc(Cl)c2)c1C(C)C 36740967 KLXPLKAZAMHNDJ-UHFFFAOYSA-N 307.781 3.283 0 40 DGAB CN(Cc1nc2ccccc2n1C)C(=O)CCOc1ccccc1 78917862 GGGQETIKPAIZTJ-UHFFFAOYSA-N 323.396 3.001 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1C(=O)OCCc1scnc1C 78442176 PXLLNROPXNYWSD-KGLIPLIRSA-N 317.410 3.350 0 40 DGAB C[C@H](C(=O)NC1CCCCC1)[S@](=O)C/C=C/c1ccccc1 78555942 TUSBUFGCFBGEEC-NFMRPMJVSA-N 319.470 3.286 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CCN=Cc3cc(N)ccc32)c1 73642397 QQMMPLSVVFPXQQ-UHFFFAOYSA-N 323.396 3.135 0 40 DGAB CCCCc1ccc(NC(=O)COc2c(C)occc2=O)cc1 40287309 XZQQDWGMBVXHKS-UHFFFAOYSA-N 315.369 3.308 0 40 DGAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccccc2F)CC1 134208100 LAHCLOUUUWQOSI-CQSZACIVSA-N 306.425 3.198 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCc2nc3cc(C(=O)O)ccc3[nH]2)C1 225296551 YIQDNJZAJZLZHV-STQMWFEESA-N 315.417 3.172 0 40 DGAB Cc1occc1C(=O)N1CCCC[C@H]1c1nc(C(C)C)no1 40714541 NSSBXHIHSRLOGV-ZDUSSCGKSA-N 303.362 3.462 0 40 DGAB CCOc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1 224607352 IBSFSCHDQUWNBM-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB COc1cccc(CC2CCN(C3CCN(C)CC3)CC2)c1 195560894 BCMRSZNJUBOWCT-UHFFFAOYSA-N 302.462 3.044 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=S)NCCC(C)C)c1 225380272 WWCSTCVUQZLDEF-UHFFFAOYSA-N 314.838 3.459 0 40 DGAB CCCC[C@@H](CC)CNS(=O)(=O)c1ccc(OC)c(C)c1 223854832 SVDBCOWLHHFUHG-CQSZACIVSA-N 313.463 3.498 0 40 DGAB Cc1nc(N2CCCC2)nc2c1CN(c1cccc(F)c1)CC2 96083687 BZEFQLSEEGFTSG-UHFFFAOYSA-N 312.392 3.087 0 40 DGAB O=C([C@H]1C[C@@H]1c1cccnc1)N(Cc1ccccc1)CC(F)F 96432656 NQYWOHKZKLMKSD-CVEARBPZSA-N 316.351 3.479 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)CSc2ccncc2)C1 96451425 CHVVYYCDYDBPAK-GXTWGEPZSA-N 310.488 3.354 0 40 DGAB c1cncc(CN2CCCC23CCN(Cc2ccoc2)CC3)c1 96049311 CMHDTXIVUQVGST-UHFFFAOYSA-N 311.429 3.305 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCC(=O)C[C@@H]1c1ccccc1 585086107 SLHYPVFGSAIQIS-OAHLLOKOSA-N 316.788 3.225 0 40 DGAB COc1ccc(CNCc2ccc(F)s2)c(OC)c1OC 256053586 SASMNCQTCIDMPY-UHFFFAOYSA-N 311.378 3.203 0 40 DGAB Cc1n[nH]c(C)c1-c1cncc(CC2CCN(C(C)C)CC2)n1 257214986 COEWUGGPABIZPN-UHFFFAOYSA-N 313.449 3.146 0 40 DGAB CCc1ccccc1NC(=O)CN(C)Cc1ncccc1Cl 528353803 ZMMKZQRDGBQQGU-UHFFFAOYSA-N 317.820 3.368 0 40 DGAB Fc1ccccc1CN1CC2(CO[C@@H](Cc3cccnc3)C2)C1 257308937 TYUNUWOMSSLZTO-KRWDZBQOSA-N 312.388 3.054 0 40 DGAB CCN(CC)C(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 47863639 WGFGURRRTDECNW-UHFFFAOYSA-N 310.703 3.158 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc(C(N)=O)s2)c2ccccc21 58438175 MGECPVDNINYPHS-JTQLQIEISA-N 300.383 3.001 0 40 DGAB O=C(NCc1nc2ccccc2s1)c1ccc(NC2CC2)nc1 57196896 QRVJUMBMNICHFQ-UHFFFAOYSA-N 324.409 3.196 0 40 DGAB Cc1cc(NC(=O)N(C)Cc2nc(C(F)(F)F)cs2)no1 72733682 KRAKGKCTGCSTAY-UHFFFAOYSA-N 320.296 3.122 0 40 DGAB COc1ccsc1C(=O)N(C)c1cc(-c2ccccc2)[nH]n1 95397305 XYKZLUUTSNLQEY-UHFFFAOYSA-N 313.382 3.423 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)c1 585234376 NAUDSTWUHDGBNA-INIZCTEOSA-N 324.428 3.257 0 40 DGAB CCN(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccccc1 5196353 IUKKLQOJAMDQIK-UHFFFAOYSA-N 306.365 3.190 0 40 DGAB Cc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1Cl 12986451 LRLCWHWRJABABW-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB O=Cc1ccccc1OCCCN1CCN(c2ccccc2)CC1 2021453 KYANSQIWFIOLIH-UHFFFAOYSA-N 324.424 3.090 0 40 DGAB CCCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 5181255 AUVHRRCNRBLOHM-UHFFFAOYSA-N 323.849 3.398 0 40 DGAB COCCCNCc1cccc(NC(=O)c2ccc(C)cc2)c1 17309962 WDKWIKPLVWLQTQ-UHFFFAOYSA-N 312.413 3.373 0 40 DGAB CCOCCCNC(=O)c1c(-n2cccc2)sc(C)c1C 25465054 VVZJLRMZDZEWLP-UHFFFAOYSA-N 306.431 3.312 0 40 DGAB Cc1nc2ccccc2c(=O)n1-c1cccc(NC(=O)C(C)C)c1 4585454 LFIUUMFCQNZSBU-UHFFFAOYSA-N 321.380 3.289 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1cc(-c2ccco2)cs1 1775968191 MUMMKHRMJSBVBN-UHFFFAOYSA-N 316.382 3.472 0 40 DGAB CCc1ccccc1Nc1ncnc2c1ncn2C[C@@H]1CCCO1 2298094948 BGUGNOQNOMZMMX-AWEZNQCLSA-N 323.400 3.311 0 40 DGAB Cn1ncc(NCCCSc2ccccc2)c(Cl)c1=O 30623424 KGXPHIXQHHYKIX-UHFFFAOYSA-N 309.822 3.028 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1cccc(F)c1)CC(O)=N2 32071189 KTZKZIMSFJXYAX-ZDUSSCGKSA-N 323.331 3.233 0 40 DGAB O=C(CSC1=NCCS1)Nc1ccccc1OC(F)F 8329275 MORBQLMJYUHXRY-UHFFFAOYSA-N 318.370 3.063 0 40 DGAB COC[C@@H](C)n1c(C)cc(C(=O)CSc2ncccn2)c1C 2637580 YSNPVESHMZGIBI-GFCCVEGCSA-N 319.430 3.077 0 40 DGAB CCOc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1 1941336 GMMBGXLMWRRZSQ-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1COc2ccccc2O1 3346383 JBVFZVZPSDMMLA-CRAIPNDOSA-N 309.365 3.020 0 40 DGAB N=C1S/C(=C\c2ccccc2)C(=O)N1c1ccc2c(c1)OCO2 3903042 VPQIPELBZKHOFX-XRDMXDSPSA-N 324.361 3.471 0 40 DGAB Cc1ccc(CN(C(=O)c2cnccn2)c2ccc(F)cc2)o1 69815706 DEKBWBGUPCVDNA-UHFFFAOYSA-N 311.316 3.364 0 40 DGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 10674813 TWOTWBXXZXGJHM-AWEZNQCLSA-N 319.426 3.433 0 40 DGAB CCc1cc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)on1 76021087 ZBKFPZXIKITBGY-HNNXBMFYSA-N 319.792 3.377 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)NCCc1cccnc1 23874841 SYDZOJSQVKVHCC-UHFFFAOYSA-N 308.303 3.002 0 40 DGAB C[C@@H](Sc1nncs1)C(=O)NC1(c2ccccc2)CCC1 55077381 DDXDCTPNNPHFRS-LLVKDONJSA-N 319.455 3.214 0 40 DGAB O=C(Nc1ccccn1)N[C@@H](c1ccccc1)c1ccccn1 43296105 RSIIUAUSCZCYJF-KRWDZBQOSA-N 304.353 3.388 0 40 DGAB CC[C@H](C(=O)NCc1ccnc(N2CCCC2)c1)c1ccccc1 24841051 LOGAPLUMOWJQRH-SFHVURJKSA-N 323.440 3.492 0 40 DGAB COc1ccc2c(c1)[C@H]1[C@H]3O[C@@H](c4ccccc43)[C@@H]1[S@@](=O)N2 104245692 QZUQIGFOFFTNRG-YFDQIPFUSA-N 313.378 3.063 0 40 DGAB O=C(CCc1cccnc1)Nc1ccc(N2CCCCC2)nc1 25064553 LUVUZAVMYFWNHU-UHFFFAOYSA-N 310.401 3.038 0 40 DGAB CCC(C)(C)NC(=O)CN1c2ccccc2N(C)CC[C@H]1C 107066868 IYQVINRZRODTFE-CQSZACIVSA-N 303.450 3.026 0 40 DGAB CCc1noc(C)c1C(=O)NCc1cc(-c2ccccc2)no1 57379579 NLFOFQHFXRABKU-UHFFFAOYSA-N 311.341 3.130 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)C1CCC(C)CC1 108351269 CASMMOGRXZUBRM-XJCPWDRGSA-N 307.434 3.145 0 40 DGAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 53388109 PEASXPBVJCODEO-DJJJIMSYSA-N 323.392 3.193 0 40 DGAB COC(=O)c1ccc(F)c(NC(=O)NCCc2cccs2)c1 48108078 LCRXEZGGRKIIDT-UHFFFAOYSA-N 322.361 3.038 0 40 DGAB CC(=O)c1ccc(NCC(=O)NCc2ccccc2Cl)cc1 3306345 QESIVPGAWXMPIC-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2cccnc2-n2ccnc2)C1(C)C 44912253 MPRIDYHJPFMAAN-CVEARBPZSA-N 324.428 3.122 0 40 DGAB O=C(NCC(F)(F)F)[C@H]1C[C@@H]1c1cccc(Br)c1 58344378 HEUZDUNIZAHBDE-ZJUUUORDSA-N 322.124 3.231 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1F 28193267 CTVGENPXTPZJMO-KPKJPENVSA-N 324.355 3.370 0 40 DGAB Cc1occc1-c1nnc(SCc2ncc(Cl)n2C)n1C 12778838 VYQHAOAQRRDRIT-UHFFFAOYSA-N 323.809 3.063 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c(C)c1 12767717 PLXKDGWLAMQISR-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB COc1ccccc1OCC(=O)Nc1cccc2ncccc12 3402232 VSFZDTCRHFMNQG-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB CCNc1nc(SCc2noc(C)n2)nc2ccccc12 12981350 SMSMUVHSTROUGM-UHFFFAOYSA-N 301.375 3.045 0 40 DGAB CC(=O)Nc1cc(NC(=O)[C@]2(C)CC2(Cl)Cl)ccc1C 48905230 MMABESLEGNSKFR-ZDUSSCGKSA-N 315.200 3.476 0 40 DGAB Cc1c(C(=O)N2CCC[C@H](n3ccnc3)C2)oc2ccccc12 69951433 VWDNSMFZEOFLCE-AWEZNQCLSA-N 309.369 3.415 0 40 DGAB CCCCC(=O)N(c1ccc(C)c(C)c1)[C@H]1C=CS(=O)(=O)C1 4078745 YTXBNHQPSVVPEP-INIZCTEOSA-N 321.442 3.137 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)CSc1nncn1C 6063566 AZSRVQPYWYGBRK-NSHDSACASA-N 304.419 3.059 0 40 DGAB COc1cc2c(cc1NC(=O)Cn1ccnc1)oc1ccccc12 8746479 QBHNIEZIUFVDEA-UHFFFAOYSA-N 321.336 3.430 0 40 DGAB Ic1ccc(CN2CCCCC2)cc1 5177706 UBTQOFNYBSZILI-UHFFFAOYSA-N 301.171 3.277 0 40 DGAB CCCc1noc(CCC(=O)N2CCC[C@H]2c2cccs2)n1 65434584 UDOUZPNSNDACRV-LBPRGKRZSA-N 319.430 3.380 0 40 DGAB Cc1nc(CN[C@H](c2ccc3c(c2)OCCO3)C2CC2)cs1 65501452 IHXKZYOOOPKUCN-KRWDZBQOSA-N 316.426 3.464 0 40 DGAB Cn1ccc(NC(=O)Nc2ccc(N3CCCC3)c(Cl)c2)n1 96013206 VMTPVPZUIOPUQB-UHFFFAOYSA-N 319.796 3.318 0 40 DGAB COc1ccc(CNC(=O)CCCc2c[nH]c3ccccc23)cn1 14728493 DGUMCHRBOPZFPG-UHFFFAOYSA-N 323.396 3.211 0 40 DGAB Cc1cc(S(=O)(=O)N2C[C@H](C)C[C@@H](C)C2)ccc1Cl 5749982 SLJMSNNDRPYYNW-GHMZBOCLSA-N 301.839 3.315 0 40 DGAB COc1cccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)c1 7457634 FZWPPGWJAJTSQG-CYBMUJFWSA-N 316.376 3.466 0 40 DGAB O=C(c1c[nH]c(-c2nc3ccccc3[nH]2)c1)c1ccccc1O 7719345 UPECVDFKNAXFLI-UHFFFAOYSA-N 303.321 3.495 0 40 DGAB C[C@@H]1CN(c2nn3cc(C(C)(C)C)nc3s2)CC(C)(C)O1 68463505 RHYDPAMHQFJKPW-SNVBAGLBSA-N 308.451 3.092 0 40 DGAB Cc1ccc(C(=O)N[C@H](CN(C)C)c2ccccc2)cc1F 7818277 DPEMDTKXUGGCJA-QGZVFWFLSA-N 300.377 3.167 0 40 DGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccccc1F 7843266 QTFZJDQJPLGUNO-UHFFFAOYSA-N 309.344 3.284 0 40 DGAB CC(C)(C)c1cnc(CSCC(=O)Nc2ccccn2)o1 83125031 KUSZBQGVZTXFLU-UHFFFAOYSA-N 305.403 3.239 0 40 DGAB O=C(Cc1csc(-c2cccnc2)n1)NC1CCCCC1 8060393 FQFACDJSVGPALW-UHFFFAOYSA-N 301.415 3.197 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc(Cl)ccc2F)c1 70005140 YYZSKTQUDJPLMS-CYBMUJFWSA-N 321.783 3.289 0 40 DGAB C[C@@H](c1ccsc1)N1CCN(C(=O)c2ccsc2)CC1 97143227 FXHXUYXBKJGRRV-LBPRGKRZSA-N 306.456 3.329 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)[C@H]1CC=CCC1 29897828 MTRQLZIKACHGSQ-JKSUJKDBSA-N 302.418 3.279 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1 96425586 HKIVEKQIBAVUJE-YOEHRIQHSA-N 311.429 3.477 0 40 DGAB O=C(c1cc2c(s1)-c1ccccc1CC2)N1CCC(O)CC1 72657143 HLCRWBRZCMBELL-UHFFFAOYSA-N 313.422 3.111 0 40 DGAB CCc1ccsc1CNC(=O)N[C@H](C)C[C@H](O)c1ccco1 95413614 MDUVESYOOZFATF-YPMHNXCESA-N 322.430 3.215 0 40 DGAB COc1ccccc1-c1cccc(NC(=O)NC(C)(C)CO)c1 95410919 XHCYJKGRDPZLOC-UHFFFAOYSA-N 314.385 3.255 0 40 DGAB CC(C)CC[C@H]1CCCCN1C(=O)[C@@H]1CCn2ccnc2C1 95431905 HLFHVKUQLRNXRK-HZPDHXFCSA-N 303.450 3.263 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H](COC)C2)C1 84811901 YLLOXZHXHUGJKY-SOUVJXGZSA-N 314.495 3.119 0 40 DGAB CCOC[C@H]1CCN(C(=O)N[C@H]2CCCc3cc(F)ccc32)C1 95980879 YHNPYLGPZNAWJK-GUYCJALGSA-N 320.408 3.271 0 40 DGAB C[C@H](CNc1ccccc1)NC(=O)Nc1cccnc1Cl 75110766 LUFMLGBXNAJLQT-LLVKDONJSA-N 304.781 3.357 0 40 DGAB COc1cccc2c1OCC(=O)N(c1cccc(Cl)c1)C2 65184480 GNSBHKUMYYCQGX-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB Cc1ccccc1[C@@H]1[C@H](C(=O)O)CCN1C(=O)OC(C)(C)C 35534055 QWSDKECXUGMZES-ZIAGYGMSSA-N 305.374 3.378 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)s1)c1cccs1 33471914 ALYLJGKHXWSSIB-VIFPVBQESA-N 314.863 3.496 0 40 DGAB COc1ccc([C@H]2CC(O)=Nc3n[nH]cc32)cc1OC(C)C 31810950 IYZTXBSERVMUQG-LLVKDONJSA-N 301.346 3.329 0 40 DGAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 32610158 GOKPDKDRPGNKPQ-APHBMKBZSA-N 309.365 3.396 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1cccnc1 32781087 UJIPRTUCHAVQFD-UHFFFAOYSA-N 300.406 3.122 0 40 DGAB c1ccc(-c2nccc([C@H]3CCCN3c3ncccn3)n2)cc1 72376477 ODLLIUNEDFRKJC-MRXNPFEDSA-N 303.369 3.275 0 40 DGAB COc1ccccc1[C@H]1SCC(O)=Nc2c1c(C)nn2C 44900927 WOUKTPAUVVPDGZ-CQSZACIVSA-N 303.387 3.161 0 40 DGAB OCC[C@]1(CNC2c3ccccc3-c3ccccc32)CCOC1 195555526 JOZMSQOGULSTAX-HXUWFJFHSA-N 309.409 3.135 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1cccnc1 225551924 KLGAJIUESAHQHG-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB COc1ccc(CNc2nc(N(C)C)c3ccccc3n2)cc1 41147214 UOQFHCRSONYSDA-UHFFFAOYSA-N 308.385 3.317 0 40 DGAB CCc1nc(CS[C@@H](C)c2nc(-c3cccs3)no2)n[nH]1 193613133 LZXDZBZYYCXOMO-QMMMGPOBSA-N 321.431 3.473 0 40 DGAB COc1ccc(NC(=O)CCn2ncc3ccc(C)cc32)cc1 40758962 VXHUEUFTAHFOTN-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C(C)C 222851897 IJEDPQRKGCBEMG-HZPDHXFCSA-N 314.458 3.284 0 40 DGAB Cc1nc(NC(=S)NC[C@H]2CCCO2)c(Cl)cc1Cl 223895405 ULRJFXKVHSRTSA-MRVPVSSYSA-N 320.245 3.162 0 40 DGAB CCN(CC)C(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 227154518 SWYYDJXZBCYJDM-UHFFFAOYSA-N 311.307 3.373 0 40 DGAB O=C(COc1ccccc1F)NCCCc1ccc(F)cc1 222775747 HFGMZXMCKHLMAV-UHFFFAOYSA-N 305.324 3.093 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H](C)C2)nc(N2CCCC2)n1 96101270 DWUMLNPZPRDCPW-CQSZACIVSA-N 316.449 3.072 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCCC1=O)c1ccncc1 95472686 HZVVWFSUADEGLK-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB COc1ccc2nc3n(c2c1)[C@@H](CNC1CCCCC1)COC3 96112625 KXYGXQKVUBKGSQ-AWEZNQCLSA-N 315.417 3.039 0 40 DGAB biogenic,in-vitro Cc1nnc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3sccc3C)O2)o1 97953621 NAOIZLFJJHBBIO-MGPQQGTHSA-N 319.430 3.243 0 40 DGAB CCNC(=O)c1ccc2ccc(N(C)c3ccc(OC)cc3)n2c1 96146206 PKHWOLDBEOLZGO-UHFFFAOYSA-N 323.396 3.466 0 40 DGAB Cc1ccc(CN2CCc3ncnc(OC(C)C)c3CC2)s1 96058782 RFDQUDCOECFRGS-UHFFFAOYSA-N 317.458 3.235 0 40 DGAB Cc1nc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 96186692 TVDQYXVKHCATKN-IKGGRYGDSA-N 322.474 3.000 0 40 DGAB COCCCCNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 96439095 CUGOOGLHLUFDLT-BBRMVZONSA-N 308.397 3.345 0 40 DGAB Cn1cc(C(=O)N2CCCCc3c(Cl)cccc32)ccc1=O 348228061 RAVQHWYFWPWCGR-UHFFFAOYSA-N 316.788 3.022 0 40 DGAB Cc1cc(C(=O)N(C)c2cc(C3CCCCC3)[nH]n2)ns1 585079523 XPJANULNCRAZOG-UHFFFAOYSA-N 304.419 3.499 0 40 DGAB CNc1cccc([C@@H]2CN(Cc3sccc3C)CCO2)n1 257240627 HUJYUFYSWIETPT-AWEZNQCLSA-N 303.431 3.067 0 40 DGAB Fc1ccccc1-c1cncc([C@H]2CN(CC3CC3)CCO2)n1 257313839 UUHNYZUFVIKXTG-GOSISDBHSA-N 313.376 3.066 0 40 DGAB CSc1cc(CNc2nccc(C(F)(F)F)n2)ccn1 390834084 ROEHBUIHIHFRMM-UHFFFAOYSA-N 300.309 3.224 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc(C(C)C)n(C(C)(C)C)n2)no1 48366432 VPEVJXBDONMCAP-UHFFFAOYSA-N 318.421 3.330 0 40 DGAB O=C(Nc1cccc(OCc2cn3ccccc3n2)c1)C1CC1 69776147 QQMBYXSKKHJNNK-UHFFFAOYSA-N 307.353 3.262 0 40 DGAB C[C@@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(F)c(F)c1 95427537 NHJRUKIDKMLZMQ-SSDOTTSWSA-N 314.332 3.115 0 40 DGAB CCc1nnc(CNc2cc(Br)c(F)cc2C)o1 190872879 QZXBHPMTMLOWCA-UHFFFAOYSA-N 314.158 3.454 0 40 DGAB CCN(CC)C(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 12088108 YTKNXTDWOWNKST-UHFFFAOYSA-N 308.385 3.145 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CSCc1ccc(Cl)cc1 17289402 HZZZSAWVLHCGGQ-OKILXGFUSA-N 321.829 3.482 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2ccc(C)c(C)c2)C1 19974125 QLVACWMDRBDYMG-UHFFFAOYSA-N 323.440 3.434 0 40 DGAB Cc1ccnc(Cl)c1NC(=O)c1cccnc1NC1CC1 22054744 GURGGHUREHGAMI-UHFFFAOYSA-N 302.765 3.265 0 40 DGAB in-vitro O=C(NCC1(c2ccsc2)CC1)c1cc(-c2ccco2)on1 1888930681 LUBHKNHXSBRCHA-UHFFFAOYSA-N 314.366 3.458 0 40 DGAB c1ccc(CCN2CCN(c3ncnc4sccc34)CC2)cc1 28620853 RNDCWHXCSFGLCA-UHFFFAOYSA-N 324.453 3.056 0 40 DGAB CCn1cnc2c(Nc3ccc(OC)c(Cl)c3)ncnc21 1174152139 DWVBLEJIHHRFPB-UHFFFAOYSA-N 303.753 3.252 0 40 DGAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 4525586 ICZSHQHXDHAXIS-PSLIRLAXSA-N 314.410 3.433 0 40 DGAB Cc1c(C(=O)C(=O)N(C)c2ccccc2)c2ccccc2n1C 9382951 MSDGBCAZYZAWBP-UHFFFAOYSA-N 306.365 3.332 0 40 DGAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1cccc(C)c1 13943320 LSUQHYMLKQUJGL-VZCXRCSSSA-N 320.348 3.250 0 40 DGAB CCc1nnsc1C(=O)N(CC(F)(F)F)[C@@H](C)C(C)C 106407261 WWLXSYWMUIAJMD-QMMMGPOBSA-N 309.357 3.150 0 40 DGAB O=C(/C=C/c1cccc(F)c1)NCCN1CCc2ccccc2C1 30363229 QXKHPOVHRKQFCU-CMDGGOBGSA-N 324.399 3.013 0 40 DGAB CCN(CC)CCOc1ccccc1NC(=O)c1ccco1 40490130 ZCEYSUOLFPTUAF-UHFFFAOYSA-N 302.374 3.253 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N(C)c2ccc(F)cc2)cc1C 51356767 LPIAAPVWAHMWKJ-UHFFFAOYSA-N 315.344 3.262 0 40 DGAB COc1ccc2c(ccn2CC(=O)NCCCc2ccccc2)c1 20744768 HDFHPJIQSBTZDM-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB Cc1cc(OCC(=O)O)ccc1NC(=O)c1ccccc1Cl 21002463 OZSAMYABZZYOHQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1ncc(CN2CCC[C@H](c3ncc[nH]3)C2)n1-c1ccccc1 92072599 OVXYIAOTXKAMEB-INIZCTEOSA-N 321.428 3.283 0 40 DGAB COc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@@H]2C)cc1Cl 1368070 UCLUJNBRMZFUKI-QWRGUYRKSA-N 317.838 3.300 0 40 DGAB COc1ccc([C@H]2Sc3ccccc3N2S(C)(=O)=O)cc1 4986078 LPGRDMHMCXINMP-OAHLLOKOSA-N 321.423 3.266 0 40 DGAB Cc1ccc(C(=O)COC(=O)COc2ccc(C)c(C)c2)cc1 482169 MYLIJWFKJBIOCW-UHFFFAOYSA-N 312.365 3.417 0 40 DGAB COc1ccc(SCC(=O)NCc2ccccc2OC)cc1 6540104 VFVRPGAOZLQNPK-UHFFFAOYSA-N 317.410 3.112 0 40 DGAB Cc1cc(C)nc(SCNC(=O)c2ccc(Cl)cc2)n1 498964 HTHCOFLGFRGATA-UHFFFAOYSA-N 307.806 3.226 0 40 DGAB Cc1cccc(C)c1OCCOC(=O)c1cn2c(C)cccc2n1 32950662 ZNGYQIHPTAARCL-UHFFFAOYSA-N 324.380 3.495 0 40 DGAB COc1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1OC(F)F 102825379 KDQCDJDEPPAXQQ-JBLDHEPKSA-N 309.312 3.447 0 40 DGAB Cc1cccc(-n2nc(CSc3nccc(C)n3)cc2O)c1 10157366 LWXJVAUGBXQLIJ-UHFFFAOYSA-N 312.398 3.277 0 40 DGAB CCCNC(=S)NC1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100423360 XTBSJEMNSRKZOS-IRXDYDNUSA-N 317.502 3.056 0 40 DGAB Cc1cc(NC(=O)N(Cc2ccccc2)C[C@H]2CCCO2)no1 53748847 PZVFLSLIFVSPCC-OAHLLOKOSA-N 315.373 3.196 0 40 DGAB O=C(O)[C@@H](Cc1cccc(Cl)c1Cl)N1CCCCC1 57630384 BWQLVLBTIRSLEN-GFCCVEGCSA-N 302.201 3.475 0 40 DGAB COc1cc(OC)c([C@H]2CC(=O)Nc3ccsc32)cc1OC 12418209 IKMUPTOUENJPJH-SNVBAGLBSA-N 319.382 3.248 0 40 DGAB CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)c1cccnc1 71903195 PWBDAKFISPZALW-MRXNPFEDSA-N 304.415 3.099 0 40 DGAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@H](c1ccc(F)cc1)N2 12469190 DQCJFQDDEQCKCN-NEPJUHHUSA-N 315.377 3.207 0 40 DGAB Cn1ccs/c1=N\C(=O)c1ccc(C2SCCS2)cc1 23653896 XEUGGAVUEBCCSL-PFONDFGASA-N 322.480 3.306 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 47551997 RSBYCDJTWDJUHO-LBPRGKRZSA-N 320.389 3.084 0 40 DGAB C[C@H]1CCCN([C@H](C)CNC(=O)c2ccc(F)cc2Cl)C1 106078724 VBTKLWXJTQZEFS-NWDGAFQWSA-N 312.816 3.329 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc(C(C)C)cs1 24830531 GNXQGCWGKJGBTH-UHFFFAOYSA-N 306.435 3.188 0 40 DGAB CCOc1ccccc1-c1csc(NC(=O)c2cc[nH]n2)n1 55590716 LVQKEWBBDOPKCB-UHFFFAOYSA-N 314.370 3.184 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)c1cccnc1N1CCCC1 26051275 OWFFOXUYKDEFPT-UHFFFAOYSA-N 314.414 3.268 0 40 DGAB COCCOc1ccccc1NC(=O)CCc1ccc(F)cc1 57052723 LBXSEUNTWCTQOU-UHFFFAOYSA-N 317.360 3.422 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)C[C@H](C)c1c(C)n[nH]c1C 97022743 QUYYHOCTRYKSTL-RYUDHWBXSA-N 315.417 3.406 0 40 DGAB CCc1cc(C)cc(OS(=O)(=O)c2ccc(OC)cc2)c1 2069530 KHYYJGOJRQLCBS-UHFFFAOYSA-N 306.383 3.334 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)[C@@H]1CC=CCC1 58430422 YPGYGHHVCWWSPT-OAHLLOKOSA-N 309.369 3.350 0 40 DGAB COc1ccc2nc(C(=O)NOCc3ccccc3)ccc2c1 25285616 QQSUSXZMXWWYMR-UHFFFAOYSA-N 308.337 3.105 0 40 DGAB CCCCOCCCn1cnc2c([nH]c3cc(C)ccc32)c1=O 2227998 HFBZOZPNBHZUBU-UHFFFAOYSA-N 313.401 3.393 0 40 DGAB CCCCCOc1ccc(C(=O)N[C@@H](CCC)C(=O)O)cc1 2262361 FKJFCCRUAKPMGB-HNNXBMFYSA-N 307.390 3.239 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)[C@H](C)CO1 45448356 UCKVVFYIBSLBSV-ZJUUUORDSA-N 308.428 3.121 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)[C@@H](C)CO1 45525062 AMTPVOARFAKGHQ-UWVGGRQHSA-N 308.428 3.121 0 40 DGAB Cc1ccc(-n2ncc([C@H](C)NC(=O)c3cccnc3)c2C)cc1 48342949 XXKSUPXQLBOADJ-AWEZNQCLSA-N 320.396 3.375 0 40 DGAB CC(C)(C)C[C@@H](NC(=O)CCn1cncn1)c1ccc(F)cc1 48340852 HDHYXAKTHCNGST-OAHLLOKOSA-N 318.396 3.101 0 40 DGAB Cc1c(NC(=O)N2CCSCC2)cccc1OC(F)F 69982605 BOBXFMUYNJIBAC-UHFFFAOYSA-N 302.346 3.177 0 40 DGAB C[C@H](NC(=O)c1cn(C)c2ccc(F)cc2c1=O)c1ccccc1 22236183 QDBBQROJVWWLQF-LBPRGKRZSA-N 324.355 3.169 0 40 DGAB Clc1ccccc1-n1ncc2c(N3CCCCC3)ncnc21 9627291 WQFYAODQHLNKAZ-UHFFFAOYSA-N 313.792 3.459 0 40 DGAB Cc1nc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)O)cc2s1 13249539 WYPPNVQEWMDKRP-NEPJUHHUSA-N 316.382 3.210 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)C1(C)C 65476149 HANBYSFDSHFMAK-ZIAGYGMSSA-N 324.465 3.208 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1COC(=O)c1nccnc1N 14059559 XXXNYORVMZUZAJ-UHFFFAOYSA-N 313.401 3.330 0 40 DGAB COc1ccc(C(=O)NCCC(C)C)cc1Br 14185852 SPKCMRKECQXGJE-UHFFFAOYSA-N 300.196 3.234 0 40 DGAB O=C(c1cnn(-c2ccccc2)c1)N1CCc2ccccc2C1 14183979 FKESMRPJFZDYBU-UHFFFAOYSA-N 303.365 3.071 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2ccc(Cl)cc2)s1 6602195 QTEYXQCTWXMRIG-UHFFFAOYSA-N 308.790 3.078 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)c(C)c1 64799498 SZSOKDUVBGYRGE-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB COc1ccccc1OCCC(=O)Nc1ccc(F)cc1F 5937776 DQATZWACGXUXHM-UHFFFAOYSA-N 307.296 3.381 0 40 DGAB CCc1ccc(NC(=O)N[C@@H]2CCCC3(C2)OCCO3)cc1 96006807 BSBTWRDZJWTUBA-OAHLLOKOSA-N 304.390 3.056 0 40 DGAB Cc1c(Br)cccc1COC(=O)[C@H]1OCC[C@H]1C 90398316 IHAUQQHRVLPOSO-RNCFNFMXSA-N 313.191 3.226 0 40 DGAB c1csc(-c2nc(CSc3nnnn3C3CC3)cs2)c1 8185858 YXMXWULKWSBHRR-UHFFFAOYSA-N 321.456 3.485 0 40 DGAB C[C@@H](NC[C@@H](c1ccsc1)N(C)C)c1nc(C(C)(C)C)no1 69157773 CLTFNKWNSRRWDW-YPMHNXCESA-N 322.478 3.382 0 40 DGAB O=C(NCc1csc(CCc2ccccc2)n1)c1ccoc1 81934946 XOGKZEVXVFIQJG-UHFFFAOYSA-N 312.394 3.451 0 40 DGAB CCOc1ccccc1N(Cc1ccccc1C)S(C)(=O)=O 9426026 GOOFONBMGZIBGZ-UHFFFAOYSA-N 319.426 3.360 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@@H](O)C1CCCCC1 69495731 WPTZPOVJIVCSLB-CQSZACIVSA-N 311.809 3.020 0 40 DGAB CCN(C(=O)c1ccccn1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69744777 KZBYAZPOTCUKDD-WMZOPIPTSA-N 323.440 3.379 0 40 DGAB CCc1ccccc1NC(=O)[C@@H](C)n1cc(Br)cn1 28223917 SBLYAEWRMSQZNT-SNVBAGLBSA-N 322.206 3.408 0 40 DGAB C[C@@H](CC[C@H]1CCCO1)NC(=O)NCc1cc(F)ccc1F 71856678 FDIRWFHVGHKBSD-SMDDNHRTSA-N 312.360 3.112 0 40 DGAB CCOc1cc(CN[C@@H](C)c2ccc([S@](C)=O)cc2)ccn1 95420326 QVGXJNYLPAUNTH-WHEQGISXSA-N 318.442 3.069 0 40 DGAB CCc1ccc(CN[C@H](C)c2cccc(NS(C)(=O)=O)c2)o1 95415430 NAXYOMQZGHPGFT-GFCCVEGCSA-N 322.430 3.064 0 40 DGAB Fc1ccc(CCN2CCC(NCc3ccco3)CC2)cc1 95419189 RCYKXQMBAJBGJH-UHFFFAOYSA-N 302.393 3.215 0 40 DGAB COc1ccc(-c2nnc(SCC[C@@H]3CCCN3C)o2)cc1 95975898 PYITVVTWKHILSL-ZDUSSCGKSA-N 319.430 3.322 0 40 DGAB COc1cccc2cc([C@H](C)NCCc3cnn(C)c3C)oc12 95988018 QEVDFOAADUIYOW-LBPRGKRZSA-N 313.401 3.377 0 40 DGAB CSc1sc(NC(=O)CC[C@H]2CCCOC2)nc1C 78997072 IFQDOHQZNIPWIW-SNVBAGLBSA-N 300.449 3.319 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)NCc2nc(C)c(C)o2)C1 89275094 HTEUBWJDKLGKNC-CHWSQXEVSA-N 311.451 3.155 0 40 DGAB Cc1cc(C)nc(-n2nc(-c3ccc(F)cc3)nc2Cl)n1 22125564 KDTJPXJPHNXGQB-UHFFFAOYSA-N 303.728 3.134 0 40 DGAB C[C@H](CCSc1ccccc1)N1CCC(n2cncn2)CC1 89895653 KMVNVFBUVZTAQE-OAHLLOKOSA-N 316.474 3.486 0 40 DGAB CCC(=O)N1CCC[C@H](C(=O)N2CCC3(CCCCC3)CC2)C1 89941649 JVYAYHDVXQOZQV-INIZCTEOSA-N 320.477 3.208 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)s1 31566114 KRYHMAVDYZADME-INIZCTEOSA-N 314.454 3.451 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H]1C=C[C@H]2C12CC2 409381901 KMBPLKNEDZTOSV-KBXIAJHMSA-N 313.784 3.037 0 40 DGAB Cc1ncsc1C(=O)N1CCS[C@@H](c2ccco2)CC1 219416719 TXGZMFBZHBXKOO-GFCCVEGCSA-N 308.428 3.365 0 40 DGAB CN(Cc1cscn1)C(=O)N[C@H](C1CCCC1)C(F)(F)F 185497563 XWGCXROHBCMETF-LLVKDONJSA-N 321.368 3.406 0 40 DGAB CCC(=O)N[C@H]1CCCN(Cc2cc(C)nc3ccccc23)C1 79309168 NFZNMQUIPWBASU-INIZCTEOSA-N 311.429 3.034 0 40 DGAB CO[C@@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)CC1(C)C 528283127 MVFMAFKQBVEHFP-BFHYXJOUSA-N 308.447 3.061 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@H]2C(=O)Nc2cccnc2)cc1 35314638 DEXPBZVIPIOCHJ-INIZCTEOSA-N 324.384 3.025 0 40 DGAB COc1ccc(SCC(=O)N2CCCCCC2)cc1OC 44900005 CUDMLOZMGAAODX-UHFFFAOYSA-N 309.431 3.199 0 40 DGAB Cc1ccc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)cc1 49449510 QVMMQAONEYJIEN-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CCC 224811331 LXVVQHZWSYNNEK-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB CC(C)c1nnc(NC(=O)[C@@H](C)Sc2ccccn2)s1 84970324 IUXBVGJYRVEOAB-SECBINFHSA-N 308.432 3.176 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)c(C)c1C 223077622 UERFYMXDNLRJAC-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB COc1cccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)c1 95533528 DFPCEOHLRIDSLQ-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB Cc1ccc([C@H]2CN(Cc3cnc4c(C)cccn34)CCO2)o1 93864932 DKAPBAVXXVEEOU-QGZVFWFLSA-N 311.385 3.118 0 40 DGAB Cc1cc(N[C@@H](C)CCn2cccn2)nc(-c2ccccc2O)n1 91621291 ZURJEEIEIACHDE-ZDUSSCGKSA-N 323.400 3.245 0 40 DGAB CC(=O)N/C(=C/c1cccs1)c1nc(C2CCCC2)no1 585136829 UOQSWKKUKQCYIK-UKTHLTGXSA-N 303.387 3.423 0 40 DGAB CC[C@@H](C(=O)NCCCN1CCC(C)CC1)c1ccccc1 41906589 FBINEXCYJKGUCB-GOSISDBHSA-N 302.462 3.418 0 40 DGAB CNc1cc([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)ccn1 257235392 GXQFRQCBKUORHT-OAHLLOKOSA-N 315.442 3.134 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCC[C@H](C)C2)nc1 260722735 RXFHZKUCJFYNDD-ZDUSSCGKSA-N 306.479 3.260 0 40 DGAB CC(C)[C@@H]1C[C@@H](CNC(=O)c2cnns2)c2ccccc21 279266775 USXYDFYWZTVILI-FZMZJTMJSA-N 301.415 3.195 0 40 DGAB Oc1cc(-c2noc([C@H]3CCCN3Cc3ccccc3)n2)ccn1 585141113 PQLPRPQUKARLBS-OAHLLOKOSA-N 322.368 3.174 0 40 DGAB CCONC(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 45886658 RFVIACPXZZXWAE-UHFFFAOYSA-N 315.329 3.089 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)COC2CCCC2)n1 72232432 AUOPDGNSOMXEDE-AWEZNQCLSA-N 308.447 3.464 0 40 DGAB Cc1ccccc1CN(C)C(=O)CN(C)Cc1sccc1C 78334235 AJJKHNZXXDUWQK-UHFFFAOYSA-N 316.470 3.455 0 40 DGAB CC(=O)c1ccc(C(=O)/N=c2/sc3cc(C)ccc3n2C)cc1 4135054 ZQPAQVCXNZUTDO-VHEBQXMUSA-N 324.405 3.492 0 40 DGAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(O)c1 5375237 DXFJUQIISBFIOE-UHFFFAOYSA-N 306.705 3.388 0 40 DGAB COc1cccc(NCc2cc3ccc(OC)cc3[nH]c2=O)c1 12566075 XSHFDCDGPVCLAY-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB O=C(Cc1csc(-c2ccccn2)n1)Oc1ccc(F)cc1 14634247 PICYRGVXDMNRAP-UHFFFAOYSA-N 314.341 3.492 0 40 DGAB Oc1cc(CSc2nc3ccccc3s2)nc(S)n1 17031614 IUAPZTZBQROJCZ-UHFFFAOYSA-N 307.425 3.373 0 40 DGAB Cc1cccc(OCC(=O)Nc2nnc(-c3ccco3)s2)c1 17248442 HDSZBGAZHXJUBB-UHFFFAOYSA-N 315.354 3.124 0 40 DGAB Cc1cnc([C@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]1 1848352235 LGDVZEVPRSWIBQ-QGZVFWFLSA-N 322.412 3.496 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH]1 1848352216 OEZRYTOBAFTJCS-AWEZNQCLSA-N 308.385 3.219 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)Cc2cccs2)c1 25287609 OHBLWBLUVZQDLD-UHFFFAOYSA-N 312.398 3.208 0 40 DGAB COc1cc(C(=O)NC(C)(C)C)ccc1OCc1cscn1 29864355 JNOXECXIEUVEMV-UHFFFAOYSA-N 320.414 3.259 0 40 DGAB O=S(=O)(CCc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776009026 RNSQKGDALNTAIA-ROUUACIJSA-N 317.454 3.276 0 40 DGAB Cc1ccsc1CN(C)Cc1nc(O)c2sccc2n1 24574446 NRMSAFQVCXWMAP-UHFFFAOYSA-N 305.428 3.399 0 40 DGAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccccc1 4632163 MGVLFSSPZRTLGU-KRWDZBQOSA-N 318.380 3.071 0 40 DGAB Cc1nc(CN2CCC[C@H](COc3nccs3)C2)cs1 2298183943 WSAIGNKKNTVMIX-LBPRGKRZSA-N 309.460 3.199 0 40 DGAB O=C(CCC(=O)c1cccs1)N[C@H]1CCc2c(O)cccc21 76688350 BJUAQGARFIRGAX-ZDUSSCGKSA-N 315.394 3.220 0 40 DGAB Cc1cc2ncn(CC(=O)NCc3ccccc3F)c2cc1C 40040169 JZVBRBLYVYVDGO-UHFFFAOYSA-N 311.360 3.109 0 40 DGAB COC(=O)c1ccc(OCCN2CCC[C@@H]2c2ccc[nH]2)cc1 40154532 GQKAIRXYKJDTQO-QGZVFWFLSA-N 314.385 3.017 0 40 DGAB O=C(c1ccoc1)N1CCC(NCc2cccc(Cl)c2)CC1 30668660 NZNCYNWYZBQMDT-UHFFFAOYSA-N 318.804 3.327 0 40 DGAB O=C(NCC(F)(F)F)c1cccc(OCc2cscn2)c1 40474284 VIWUOOHRSWXTFP-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB COc1ccc(N2C(=O)[C@@H](C)[C@@H](Cc3ccc(C)cc3)C2=O)cc1 100538999 VBULHFYJIXMMEF-KBXCAEBGSA-N 323.392 3.372 0 40 DGAB C[C@@H]1CN(C(=O)COc2cc(Cl)ccc2Cl)C[C@@H](C)O1 20572332 IPLFSHOZGYGAJJ-NXEZZACHSA-N 318.200 3.008 0 40 DGAB COc1cccc(CN2CCN(C3CCCCC3)CC2)c1OC 32520041 CLPVOKSGZYGHJX-UHFFFAOYSA-N 318.461 3.154 0 40 DGAB COC(=O)[C@]1(C)CCc2c(ccc3c2CCCC3)[C@@H]1CC(=O)O 1682687 HKCZEVZPAZQRCP-QFBILLFUSA-N 316.397 3.249 0 40 DGAB Cc1cccc(C)c1N(C(=O)C(F)(F)F)C(=O)C(F)(F)F 1685009 KTBUMOJGBINWCO-UHFFFAOYSA-N 313.197 3.288 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCCCC1 2781585 LHIZERAWEFKFHY-LLVKDONJSA-N 303.328 3.174 0 40 DGAB Cc1ccc([N+]2=NCC3=C2C2=[N+](C3)C(Br)=CC2)cc1 101409672 QFNWPMPKRYOYPF-UHFFFAOYSA-N 316.202 3.466 0 40 DGAB c1ccc(OCc2nnc3sc(-c4ccccc4)nn23)cc1 531939 WFWFFBQSDCCUFV-UHFFFAOYSA-N 308.366 3.432 0 40 DGAB CCn1ccnc1SCC(=O)c1ccc(OC(F)F)cc1 83843645 PTIASBQATWAOMO-UHFFFAOYSA-N 312.341 3.479 0 40 DGAB Cc1occc1C(=O)Nc1ccc(OC[C@@H]2CCOC2)cc1 71914379 URZMIMGDBBMHJX-CYBMUJFWSA-N 301.342 3.256 0 40 DGAB O=C(O)c1cc(NC(=O)C(Cl)(Cl)Cl)ccc1Cl 20136923 YRDQYTPPCHITLO-UHFFFAOYSA-N 316.955 3.347 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2C)C1=O 101275231 PGROIEJRMVQDLR-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(F)cc1C 22841937 YSSIMXLONGWDNT-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB Cc1nc2c3ccccc3nc(N(C)[C@H](C)c3ccccn3)n2n1 71904130 FCSDKCHPCICSID-GFCCVEGCSA-N 318.384 3.178 0 40 DGAB Cc1ccc2nc(CN(C)c3cccc(C)c3C)cc(=O)n2c1 54288507 BAIYXXAZNKICEJ-UHFFFAOYSA-N 307.397 3.256 0 40 DGAB Cc1cccc(COC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 23470355 FZEBAMZXFWJIHY-UHFFFAOYSA-N 322.364 3.221 0 40 DGAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc2[nH]nnc2c1 23504771 XBCFDQSZPPREQK-SECBINFHSA-N 316.311 3.069 0 40 DGAB CN1C(=O)c2ccccc2N[C@H]1c1csc(-c2ccccn2)n1 54681393 UTFUBZOSVWLZHL-OAHLLOKOSA-N 322.393 3.401 0 40 DGAB O=C(O)[C@H]1CCC(=O)N(Cc2ccccc2)[C@H]1c1ccccc1 34152559 OKFLMULEFDZLKG-WMZOPIPTSA-N 309.365 3.251 0 40 DGAB COc1cccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)c1 101275886 VLFVXDJOQBLDFL-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB Cc1cc(NC(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)no1 12562434 GEFJYLPYABDQHG-UHFFFAOYSA-N 323.356 3.181 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)c1 59227291 RCYXGZNLGAIPPN-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccsc3)CC2)c2ccccc21 104998201 YHNGXVHLLPXINX-UHFFFAOYSA-N 312.438 3.258 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(F)c2)cc1 22869392 ASLQJUXMDHXSAR-UHFFFAOYSA-N 317.316 3.263 0 40 DGAB Cc1cc2cc(NC(=O)c3ccc([S@](C)=O)cc3)ccc2[nH]1 43771391 DYRYANOZXAGKMI-JOCHJYFZSA-N 312.394 3.466 0 40 DGAB CCCCOC(=O)COc1ccc2c3c(c(=O)oc2c1)CCC3 1781310 DCAVVDOIZRDXEE-UHFFFAOYSA-N 316.353 3.004 0 40 DGAB biogenic O=C(NCc1ccccn1)c1cc(-c2cccc(Cl)c2)[nH]n1 57413745 AZDCDFZJACZIAN-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nccs1 44894686 VCHAKXCHALDHLE-JTQLQIEISA-N 309.822 3.428 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N[C@@H](C)[C@@H]3CCCO3)s2)o1 27902871 PTQKRUWEHRSHLZ-JQWIXIFHSA-N 320.414 3.317 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCSc2ccccc21 58416320 FKHBKFJUKFBLIH-HNNXBMFYSA-N 316.474 3.121 0 40 DGAB COc1c(CNCc2cc3ccccc3[nH]2)c(C(C)C)nn1C 58406103 WOOVPPCPERNDRA-UHFFFAOYSA-N 312.417 3.323 0 40 DGAB Cc1c(C)n(C)c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cc12 27979727 YFZXSHKNUOTEFW-VXGBXAGGSA-N 300.402 3.045 0 40 DGAB CCO[C@H](CC)C(=O)Nc1cccc(NC(=O)c2ccco2)c1 48332750 QEVWLFHEANBYHN-CQSZACIVSA-N 316.357 3.286 0 40 DGAB CCc1nnsc1C(=O)N1CCCSc2ccccc21 48354693 MNIOVGGJMKMGFH-UHFFFAOYSA-N 305.428 3.243 0 40 DGAB CC[C@@H]1CCc2nc(NC(=O)[C@H](C)n3cccn3)sc2C1 48374762 KSRGSKKLYYUTOD-WDEREUQCSA-N 304.419 3.054 0 40 DGAB CCCCN(C)S(=O)(=O)N[C@H](C)c1cc2ccccc2o1 45742220 AHHNOKDYRAUNSS-GFCCVEGCSA-N 310.419 3.060 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCc1ccc2c(c1)OCO2 3403179 ZIAHNMOJZXKEQF-UHFFFAOYSA-N 322.364 3.146 0 40 DGAB biogenic C[C@@H](C(=O)N1CCCCC1)N1C(=O)c2cccc3cccc1c23 408545240 JNPKBSGWBQXRMZ-ZDUSSCGKSA-N 308.381 3.201 0 40 DGAB CCOC(=O)C1CCN(c2nc3ccccc3nc2Cl)CC1 4419268 BEFOSIWNUVGZPN-UHFFFAOYSA-N 319.792 3.063 0 40 DGAB O=C(COc1ccc2cc(Br)ccc2c1)NC1CC1 5744239 AIXQDIWHYQJETK-UHFFFAOYSA-N 320.186 3.260 0 40 DGAB OCCNc1ncnc2ccc(-c3cccc4[nH]ccc34)cc12 67878762 QLHXRQOGGYCRKR-UHFFFAOYSA-N 304.353 3.182 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3ccccc3Cl)C2)no1 67888505 QSJROEQSEXHFOI-LLVKDONJSA-N 319.792 3.305 0 40 DGAB Cc1cc(C)c(C(=O)OCC(=O)N(C)c2ccccc2)c(C)c1 7813655 PWQCJTMMCIJDQX-UHFFFAOYSA-N 311.381 3.432 0 40 DGAB C[C@H](N[C@H]1CCO[C@H]1C)c1ccc(OC2CCOCC2)cc1 90940289 GSMNSNJKZJZXIU-DEYYWGMASA-N 305.418 3.072 0 40 DGAB Cc1nn(Cc2ccccc2)c(Cl)c1C(=O)NCC(C)C 7984581 NEBIFGPKBLMHFU-UHFFFAOYSA-N 305.809 3.279 0 40 DGAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)N2CCCCCC2)c1 68934231 OTQNJOGTDXPIQZ-AWEZNQCLSA-N 319.401 3.068 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)Cc2cccc3ccccc23)cn1 69659304 XVZLOLZOVUGSNO-IBGZPJMESA-N 319.408 3.480 0 40 DGAB COc1ccc(C)cc1[C@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 69627472 ZKPYPJMWNJMWHJ-YVEFUNNKSA-N 316.376 3.020 0 40 DGAB CCc1csc(NC(=O)c2ccc3c(c2)nc(C)n3C)n1 69698238 KFIGETLAEUYAAC-UHFFFAOYSA-N 300.387 3.153 0 40 DGAB CC(C)N(C[C@@H](C)O)C(=O)CC1CCC(C(F)(F)F)CC1 97085091 ZZHMCRZORLFPGI-PNESKVBLSA-N 309.372 3.363 0 40 DGAB CC(C)(C)c1nc(CNC[C@@H]2CCCn3ccnc32)cs1 84284816 XVYWBWVPOOWFLP-LBPRGKRZSA-N 304.463 3.304 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)Nc2ccc3c(c2)COC3)n1 97113542 VDAVUFNRYBYBCN-JTQLQIEISA-N 317.414 3.407 0 40 DGAB CCCCCOC1CN(C(=O)c2ccc(OC(F)F)cc2)C1 72309965 CSSASMZUOLIXJA-UHFFFAOYSA-N 313.344 3.319 0 40 DGAB CC(C)(C)Cc1nnc(NCc2c[nH]nc2-c2cccnc2)o1 97231673 XCAFRHGVQSGLNO-UHFFFAOYSA-N 312.377 3.055 0 40 DGAB c1ccc(Cn2ccnc2CN2CCOc3ccccc32)cc1 73614814 NRMPRKGGFYBIQI-UHFFFAOYSA-N 305.381 3.330 0 40 DGAB C[C@@H](CC(=O)N1CCc2cnccc21)C(=O)c1cccc(F)c1 73799336 RMFKCAPTPDCHDI-LBPRGKRZSA-N 312.344 3.019 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2ccsc12 28624747 ISARVUNTGYDBIW-UHFFFAOYSA-N 313.382 3.099 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)c2coc3ccccc23)C1 95959397 BWEHFYQEITXHGX-LBPRGKRZSA-N 301.342 3.150 0 40 DGAB Fc1cccc(CNc2nnc([C@H]3Cc4ccccc4O3)o2)c1 95990060 SRLKKZGHNJYMBT-OAHLLOKOSA-N 311.316 3.497 0 40 DGAB Cc1ccc(C(=O)N2CCCCC[C@@H]2c2ccccc2)c(=O)[nH]1 75120565 RYPVTSZCTHZPNU-QGZVFWFLSA-N 310.397 3.441 0 40 DGAB O=C(N[C@@H](CCO)c1ccccc1)c1cc(Cl)c(Cl)[nH]1 89826273 TUSPNECKNQUPNN-NSHDSACASA-N 313.184 3.175 0 40 DGAB CC(C)Oc1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cn1 89890877 BLYZFBQISIYEHL-GFCCVEGCSA-N 317.364 3.447 0 40 DGAB CS(=O)(=O)N1CCc2cc(-c3csc(C4CC4)n3)ccc21 28335216 SPIHRLUMHOPFAM-UHFFFAOYSA-N 320.439 3.010 0 40 DGAB O=C(O)[C@@H](c1ccc(OC(F)(F)F)cc1)N1CCCCC1 37362070 SJHIMYIMGYLWCM-GFCCVEGCSA-N 303.280 3.197 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](Cn2cncn2)c2ccccc2)cc1 60363805 FILXZTINSAXKRL-KRWDZBQOSA-N 321.384 3.150 0 40 DGAB C[C@]1(O)CCCC[C@H]1[C@H]1CCCN1C(=O)COC1CCCCC1 502099449 SJWCUYSUCKVUKP-SCTDSRPQSA-N 323.477 3.268 0 40 DGAB CCCCN1C(=O)S/C(=C\c2ccc(OC)c(O)c2)C1=O 409062305 RMIRIBCQLSIVRK-LCYFTJDESA-N 307.371 3.237 0 40 DGAB CC[C@H](NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1 36063520 CEDNUWDZFYOVCB-QWHCGFSZSA-N 312.207 3.195 0 40 DGAB CC1CCC(N2C[C@H](C(=O)OC3CCCCC3)CC2=O)CC1 78581636 VLTFFWYMEWMKGK-SHARSMKWSA-N 307.434 3.290 0 40 DGAB COc1ccc(SCC(=O)Nc2ccccc2)cc1OC 77732941 RMKDLSALCNRURA-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB O=C(O)CCCc1nc(-c2cc(Cl)ccc2Cl)no1 34797598 LJRNLVVDZRUDQU-UHFFFAOYSA-N 301.129 3.451 0 40 DGAB O=C(Nc1ccc(N=S2(=O)CCCC2)cc1)c1cccnc1 521396415 VMXAYCYSWSQNQP-UHFFFAOYSA-N 315.398 3.227 0 40 DGAB c1ccc2c(Nc3ccc(N4CCOCC4)cc3)cnnc2c1 41123494 DUPJJQCLXPXMNF-UHFFFAOYSA-N 306.369 3.210 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2ccc(F)cc2)ncn1 566081927 CKLWRXHSVVZBOJ-SFHVURJKSA-N 313.376 3.162 0 40 DGAB CC(C)Oc1ccc(CNC(=O)COc2ccc(F)cc2)cc1 43750692 VRMIPTDWKNTWCH-UHFFFAOYSA-N 317.360 3.308 0 40 DGAB Clc1cccc([C@@H](NCCn2cccn2)c2ccccn2)c1 133760413 XBOQMRFIADIIAR-QGZVFWFLSA-N 312.804 3.311 0 40 DGAB CCNC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1 225435084 OSZBFDPOXNDCNT-UHFFFAOYSA-N 319.792 3.424 0 40 DGAB CC[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccc(C)cc1 568318643 WBZFFGZHFOWSQT-SFHVURJKSA-N 317.454 3.436 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225594871 YUOIFEXECWGJLR-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB COc1cccc(NC(=O)N[C@@H](C)COc2ccccc2)c1 48050510 HJVZUSNIVFXNJA-ZDUSSCGKSA-N 300.358 3.284 0 40 DGAB CSC1(CNC(=O)N[C@H](C)c2nc3ccccc3[nH]2)CCC1 194814580 SLDHBFXUSILYRR-LLVKDONJSA-N 318.446 3.209 0 40 DGAB O=S(=O)(Cc1c(F)cccc1Cl)NCC1=CCCCC1 224180596 BMWHOIRWBLRPJP-UHFFFAOYSA-N 317.813 3.399 0 40 DGAB O=c1cc(CSc2nc3cc(Cl)ccc3o2)occ1O 84459318 DAEIMQOOKYZCGQ-UHFFFAOYSA-N 309.730 3.432 0 40 DGAB O=C(NCc1cccnc1)c1ccc2nc(Cl)sc2c1 225976917 MXJPFEKVWZGMPY-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB CC(C)CCNC(=O)CCc1nc(-c2ccccc2Cl)no1 41184711 ZQYSYXWQUQLUJM-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB CCc1ccc(OCC(=O)NCCSC2CCCC2)cc1 223635424 VHFSEPMLKPMTGQ-UHFFFAOYSA-N 307.459 3.420 0 40 DGAB CCN(Cc1ccoc1)C(=O)c1cccc(-c2n[nH]c(C)n2)c1 81651017 RLHAXJHAZSUEGP-UHFFFAOYSA-N 310.357 3.035 0 40 DGAB C[C@@H](CN(Cc1ccccc1)C(=O)c1ccsc1)C(=O)O 195541677 WYCUQELMLXQTPA-LBPRGKRZSA-N 303.383 3.111 0 40 DGAB CC(C)(CN1CCC(N2CCCC2=O)CC1)c1ccccc1 97230841 OVJHLDRPAZRKBY-UHFFFAOYSA-N 300.446 3.051 0 40 DGAB CSCCCCNC(=O)N1CCO[C@](C)(c2ccccc2)C1 96469951 WBVJYHNAUUQMLD-KRWDZBQOSA-N 322.474 3.087 0 40 DGAB CCc1ccc(CN2CC[C@H]3C[C@@H](c4ccncn4)O[C@@H]3C2)cc1 96046338 ISWLZMOGDVTAGW-YSIASYRMSA-N 323.440 3.391 0 40 DGAB CCC12CN3CC(C)(CN(C1)C3c1c(C)[nH]c3ccccc13)C2=O 96463823 HVHDYYQVEQYZRT-UHFFFAOYSA-N 323.440 3.092 0 40 DGAB biogenic Cc1cnc(CNC(=O)Nc2cccc(Cl)c2N(C)C)s1 96434069 AZGTXEJICFBRIB-UHFFFAOYSA-N 324.837 3.493 0 40 DGAB CCn1nccc1-c1cnc(C[C@H]2CCCN(C(C)C)C2)cn1 257255915 KJJUSHRAQHUNEV-OAHLLOKOSA-N 313.449 3.023 0 40 DGAB COc1cc(CN(C)C)ccc1NC(=O)c1cc(Cl)cn1C 585088364 YAOGUHYIDJMNAW-UHFFFAOYSA-N 321.808 3.001 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)Cc3ccc4c(c3)CCCC4)C2)n1 257298158 RKKSSUQFZBMGNN-GOSISDBHSA-N 323.440 3.156 0 40 DGAB O=C(COCC1CC1)Nc1cccc(-c2nnsc2Cl)c1 585126369 XNBMRADLDZHKFE-UHFFFAOYSA-N 323.805 3.224 0 40 DGAB CCCc1ccc(C(=O)Cn2ncc(C(F)(F)F)cc2=O)cc1 585118073 ALQTYJMMQBMNRK-UHFFFAOYSA-N 324.302 3.098 0 40 DGAB CO[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccc(C)s1 96104878 YDICBTWRLUWMSS-CQSZACIVSA-N 322.405 3.383 0 40 DGAB COCCCC(=O)Nc1ccc(C)cc1-c1nc(C2CC2)n[nH]1 58267533 CXSQOYFPMFSFES-UHFFFAOYSA-N 314.389 3.023 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(N(C)C)c1 58331796 ACKXPAWOYCOWEC-UHFFFAOYSA-N 301.390 3.102 0 40 DGAB CNC(=O)c1cnc(/C=C/c2ccc(SC)c(OC)c2)s1 65611680 SUJQHTCYSNNYJS-FNORWQNLSA-N 320.439 3.404 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C)c1c(F)cccc1OC 74739707 PKOBPRIWZIPJQU-STQMWFEESA-N 324.396 3.106 0 40 DGAB Cc1ncccc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984651 SMZNJEQOXCQLOD-HOTGVXAUSA-N 316.788 3.303 0 40 DGAB COc1ccc(NC(=S)Nc2cccc(C(=O)O)c2)cc1 5880099 MSZXFJOJHYQDDQ-UHFFFAOYSA-N 302.355 3.202 0 40 DGAB CC(C)[C@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1 12200378 UPOCJYSADAHJTN-HNNXBMFYSA-N 303.431 3.486 0 40 DGAB O=C1c2ccccc2[C@@](O)(c2ccccn2)N1C1CCCCC1 13208228 FJNYRDGIGAVEJE-LJQANCHMSA-N 308.381 3.064 0 40 DGAB C/C=C/C(=O)Oc1cc(CCC)nn1-c1nc2ccccc2[nH]1 13611035 DLFAUAIYWUUIBK-XBXARRHUSA-N 310.357 3.183 0 40 DGAB COc1cc(NC(=O)Cc2ccccc2)cc2sc(N)nc12 226309191 QFJSLGGLFDOSMX-UHFFFAOYSA-N 313.382 3.068 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@H](C)C(=O)N(C)C)c1 6933655 JAQGLSJIFJNIEI-CYBMUJFWSA-N 303.431 3.058 0 40 DGAB CC(C)c1ccc(Nc2nnc(SCCC(N)=O)s2)cc1 7032987 RWYBCQWCKUBPTM-UHFFFAOYSA-N 322.459 3.373 0 40 DGAB Cc1ccc(NC(=O)COc2ccnc3c2CCCC3)cc1F 207012436 MMVFKLSQEJVAFI-UHFFFAOYSA-N 314.360 3.425 0 40 DGAB O=C(NC[C@](O)(c1ccccc1)C1CC1)c1cc2ccccc2o1 70966215 NEHYQAIMDRWFSQ-FQEVSTJZSA-N 321.376 3.460 0 40 DGAB O=c1cc(CN2CCCCCC2)nc2sc3c(n12)CCCC3 8184719 ZIBKEQRPXGJPJY-UHFFFAOYSA-N 317.458 3.011 0 40 DGAB COc1c(C)cnc(CNC(=O)C=C(C2CC2)C2CC2)c1C 50447749 OTGCUNQEDLEEEH-UHFFFAOYSA-N 300.402 3.070 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@H]4CC[C@@H](C4=C(C)C)[C@H]3C2=O)c1 100629753 NVUNITSESMJPAG-CWLKWCNXSA-N 323.392 3.371 0 40 DGAB C[C@@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC(=O)N2 40553546 DFLAEKPZTXYRSS-LLVKDONJSA-N 314.410 3.053 0 40 DGAB Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)cc1 32398802 FWFUYCTVRDQWRY-UHFFFAOYSA-N 308.425 3.173 0 40 DGAB CCCCOC(=O)NC(=O)c1cc2cc(Cl)ccc2oc1=O 1614348 RKIOSLZBRWCLEO-UHFFFAOYSA-N 323.732 3.113 0 40 DGAB COC(=O)/C(Br)=C(/Br)c1ccccc1 1689857 ZNNXBYIAVNEENJ-HJWRWDBZSA-N 319.980 3.318 0 40 DGAB Cc1ccc(C(=O)Nc2ncn(Cc3ccccc3F)n2)cc1 2795353 MNSOFSYIZNOUBS-UHFFFAOYSA-N 310.332 3.026 0 40 DGAB CCCCC(=O)OCC(=O)Nc1cc(C)c(Cl)cc1OC 3361992 PZEKRULGYKRFJO-UHFFFAOYSA-N 313.781 3.329 0 40 DGAB CC(C)(C)NC(=O)[C@H](OC(=O)c1ccco1)c1ccccc1 3764259 KNBLLRFDDCHRRA-CQSZACIVSA-N 301.342 3.092 0 40 DGAB COc1ccc(-c2cc(C(=O)NCc3ccccc3)on2)cc1 4060155 ANFHXEINYDIZKN-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB C[C@@H](O)c1ccc2c(c1)[C@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 4403850 TWOKHGIHLYQYCK-RJMHMIJWSA-N 304.430 3.233 0 40 DGAB O=C(CSCc1ccccc1)Nc1ccc2c(c1)OCCO2 4836535 VHZLSLLDMNAZCE-UHFFFAOYSA-N 315.394 3.330 0 40 DGAB O=C1[C@@H]2[C@H]3C[C@H](C[C@@H]3c3ccccc3)[C@H]2C(=O)N1c1nccs1 5013823 SKUIOZKPGFUHDJ-XPABHHOTSA-N 324.405 3.072 0 40 DGAB COc1cc(OC)c(NC(=O)C2CCCCC2)cc1NC(C)=O 5015611 MIZGPQVOXJBZTK-UHFFFAOYSA-N 320.389 3.181 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)COC(=O)c2ccc(Cl)cc2)[C@@H]1C 5077615 CHEXVYIUURWCFG-LALPHHSUSA-N 323.820 3.438 0 40 DGAB O=C(OCc1coc(-c2cccs2)n1)c1ccc(O)cc1O 5103930 VJISERUKAHIAHN-UHFFFAOYSA-N 317.322 3.171 0 40 DGAB CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CCC)C2 5469883 ZBMNQSVJUYTGBF-JTQLQIEISA-N 308.447 3.491 0 40 DGAB Cc1ccccc1OCC(=O)c1c(O)c2ccccc2oc1=O 5730806 BMGQSROBLVOWHA-UHFFFAOYSA-N 310.305 3.069 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 6339962 WIAZFNMBYWSSTD-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB CCOc1ccc(NC(=O)CN(C)Cc2ccc(F)cc2)cc1 6836669 KHSZUUQXPDXCIZ-UHFFFAOYSA-N 316.376 3.295 0 40 DGAB O=C(Nc1ncc2c(n1)-c1ccccc1OC2)c1ccccc1F 6927932 PXRCLPFWQGCDBC-UHFFFAOYSA-N 321.311 3.427 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc2c(c1)CCC2 8131799 AUHOFXYSZWMCRT-GOSISDBHSA-N 324.424 3.335 0 40 DGAB C[C@@H](CNC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 8304031 CFOZAPIPCOTLMR-INIZCTEOSA-N 319.408 3.465 0 40 DGAB Cc1ccc(OCC(=O)NCC2(N(C)C)CCCCC2)cc1C 8673962 BAUPHFZGKLACMI-UHFFFAOYSA-N 318.461 3.063 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(Cl)o2)nc1C 9385317 QLBFXPQSCCCCRT-UHFFFAOYSA-N 314.750 3.127 0 40 DGAB C[C@H]1C[C@@H](Sc2nc(NC3CC3)c3ccccc3n2)C(=O)O1 9739984 WRTFTNWUKZUECV-TVQRCGJNSA-N 315.398 3.000 0 40 DGAB O=C(NCCc1cccc(Cl)c1)Nn1cnc2ccccc21 10260757 IBTKUCQOBILZHM-UHFFFAOYSA-N 314.776 3.186 0 40 DGAB Cc1ccc(OCC(=O)NCc2ccccc2)c2c1[C@@H](C)CC2=O 11052455 NGUKJQMZDQDTCN-AWEZNQCLSA-N 323.392 3.380 0 40 DGAB Cc1ccc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cc1 12853838 ZKAPKSSWZPLRED-AWEZNQCLSA-N 324.380 3.138 0 40 DGAB COc1cccc(CN2CCN(c3cccc(OC)c3)CC2)c1 14196259 QAYFWFKIZFVRAB-UHFFFAOYSA-N 312.413 3.026 0 40 DGAB NC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3s2)c1 15535291 KEBPYKHIFJBDGJ-UHFFFAOYSA-N 314.341 3.392 0 40 DGAB O=C(NCCCOCc1ccco1)Nc1ccc(F)cc1F 18179345 CUJHPIMTELJRQC-UHFFFAOYSA-N 310.300 3.286 0 40 DGAB CCOc1ccccc1C(=O)N1CC[C@H]2[C@H]1CCCCCN2C 19712501 TZSDVRCZCPWWRU-DLBZAZTESA-N 316.445 3.174 0 40 DGAB COc1ccc(OC)c([C@@H]2SCC(=O)N2Cc2ccco2)c1 19926965 DFIZZXPNTMQACV-INIZCTEOSA-N 319.382 3.071 0 40 DGAB Cc1nc2nc(C)c(C(=O)Nc3ccc(C(C)C)cc3)cn2n1 20798948 KXENRWYVULXFNE-UHFFFAOYSA-N 309.373 3.117 0 40 DGAB CS(=O)(=O)Nc1ccc2nc(-c3ccc(F)cc3)oc2c1 20897116 RVORZOLBUQFPJS-UHFFFAOYSA-N 306.318 3.005 0 40 DGAB Cc1ccc(C(=O)c2cccc(CN3CCN(C)CC3)c2)c(C)c1 22028020 MSUNSSOWXSVZHH-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccc(CN2CCCC2)cc1 22516977 MSXKHDVIAJIRAC-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccccc1)N(C)C 22622920 VWJXVLKRXIRYLH-OAHLLOKOSA-N 315.417 3.139 0 40 DGAB CC(=O)c1ccc(SCC(=O)NCc2cccs2)c(F)c1 24769377 UXFRFITZYAABRE-UHFFFAOYSA-N 323.414 3.498 0 40 DGAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCn2cccc2[C@H]1C 24799562 NAFOACYIJAUUHL-LLVKDONJSA-N 323.318 3.427 0 40 DGAB C[C@H](NC(=O)NCc1ccccc1)c1ccc(-n2ccnc2)cc1 25113641 HOPLKOUJRYBJEP-HNNXBMFYSA-N 320.396 3.433 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1Br)N1CCCCC1 25404073 WCOOHOLZSGTRFP-NSHDSACASA-N 311.223 3.262 0 40 DGAB CNC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1Cl 26916032 ROXFRNUICRDCCQ-QGZVFWFLSA-N 314.816 3.013 0 40 DGAB CCOc1ccc(-c2cc(C(=O)Nc3ccccn3)no2)cc1 27793590 YCSGOGNSMFIMAQ-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB CCCn1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)n1 28239689 RSEMCGOPKIIIQM-UHFFFAOYSA-N 311.429 3.388 0 40 DGAB COc1ccccc1CNC(=O)c1cn[nH]c1-c1ccccc1 28954480 IGNONONSHGIBRA-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB COC(=O)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)o1 29300053 GADSSEQQTSPBAJ-UHFFFAOYSA-N 324.258 3.483 0 40 DGAB COc1ccc(S(=O)(=O)NC2CCCCCC2)cc1Cl 30289381 XYQIFPIXPWLBRP-UHFFFAOYSA-N 317.838 3.350 0 40 DGAB O=C(c1ccc(Br)o1)N1CCOc2ccccc21 30578447 JLEOSJUFMNJLDB-UHFFFAOYSA-N 308.131 3.081 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)CCc1nc(C(C)(C)C)no1 32940387 PCWNTUAVWXDAKZ-GFCCVEGCSA-N 313.401 3.278 0 40 DGAB COc1ccc(-c2nc3sc(C(=O)O)c(C)n3c2C)cc1 33418612 RTGRIYZZYIDOQM-UHFFFAOYSA-N 302.355 3.386 0 40 DGAB CCN(C(=O)CNc1ccc(C(=O)OC)cc1)C1CCCCC1 40160611 JDEREMZXXHMHEK-UHFFFAOYSA-N 318.417 3.066 0 40 DGAB CCCCCOc1ccc(S(=O)(=O)NC)c2ccccc12 41105625 JGYCPXHPBFJRMP-UHFFFAOYSA-N 307.415 3.317 0 40 DGAB COc1ccccc1CCNC(=O)Nc1c(F)cccc1F 43265795 DTQOMIQGAFGYSV-UHFFFAOYSA-N 306.312 3.338 0 40 DGAB COc1cccc(CN(C)C(=O)NC2CCCCC2)c1OC 43466211 NVIZUUCSZKOKFN-UHFFFAOYSA-N 306.406 3.178 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 44842149 AMGGHKPXDPZTMJ-LBPRGKRZSA-N 323.389 3.015 0 40 DGAB CC(C)n1nccc1NC(=O)CN1CCC[C@H]1c1cccs1 44889306 HKLTYYUYELUZES-ZDUSSCGKSA-N 318.446 3.301 0 40 DGAB O=C(NC1(c2ccc(Cl)c(Cl)c2)CC1)c1cnns1 49431952 LDKHQJUJVPIOQT-UHFFFAOYSA-N 314.197 3.264 0 40 DGAB O=C1CN(C(=O)CCc2ccc(Cl)cc2)c2ccccc2N1 53756847 UDXVVLPKMKYUQC-UHFFFAOYSA-N 314.772 3.258 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)n1 54662748 XAIBSBZVXOFLOB-JTQLQIEISA-N 323.755 3.190 0 40 DGAB Cc1cc2ncn(C[C@@H](O)c3ccc4c(c3)OCCO4)c2cc1C 58246152 IZUBLHWCVIXKNG-QGZVFWFLSA-N 324.380 3.158 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)Cc1nc(C(C)(C)C)no1 58406413 QMVYUBDXIRPYJY-UHFFFAOYSA-N 317.389 3.118 0 40 DGAB CCO[C@H](C)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 58431094 YYCGOQXNZGKEIF-CYBMUJFWSA-N 309.369 3.389 0 40 DGAB O=C1COc2ccc(Br)cc2CN1C1CCCC1 65184415 JJRDOCBRPNZDGB-UHFFFAOYSA-N 310.191 3.113 0 40 DGAB Cc1ccc(CNC2CCN(C(=O)c3ccccc3F)CC2)o1 67667990 QVEUOOOBKQZPMQ-UHFFFAOYSA-N 316.376 3.122 0 40 DGAB CCOc1cccc(CN[C@@H](C)[C@@H](C)n2cccn2)c1OC 69368515 VBFGZUZHPRQBSI-UONOGXRCSA-N 303.406 3.030 0 40 DGAB CCc1nc(CCNC(=O)CCc2ccsc2)sc1C 69659581 WZEYIJCBMWHEQF-UHFFFAOYSA-N 308.472 3.367 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69664452 UEYXFOMVKNOPKA-CABCVRRESA-N 304.434 3.074 0 40 DGAB O[C@@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 69870431 PXOWSMUWMGVLCG-RBUKOAKNSA-N 312.413 3.054 0 40 DGAB Cc1noc(C)c1CN(C)Cn1ccc(-c2ccc(F)cc2)n1 71799436 LKIRUSLQWUOGLF-UHFFFAOYSA-N 314.364 3.384 0 40 DGAB Cc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(C(F)(F)F)cc2)cc1 72227123 MQZBLZROYQHMBP-CABCVRRESA-N 320.314 3.429 0 40 DGAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 72227390 BGAQQMMWUQPCJQ-UONOGXRCSA-N 307.180 3.409 0 40 DGAB N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 72227391 BGAQQMMWUQPCJQ-KBPBESRZSA-N 307.180 3.409 0 40 DGAB CCCCS[C@@H](C)C(=O)Nc1sc(C)cc1C(N)=O 72285441 UMRUEVKQSVSYIM-VIFPVBQESA-N 300.449 3.016 0 40 DGAB CCOc1ccc(CNC(=O)c2ccc(OC)cc2OC)cc1 72331524 UKROIGRUDQYDCN-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB COCCN1CCC[C@H](c2nccnc2-c2ccc(F)cc2)C1 72358493 XMQIUSLGMAQLHN-HNNXBMFYSA-N 315.392 3.109 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2c2noc(C)n2)c(C)o1 76043407 FZFALAOPYHXNQC-YGRLFVJLSA-N 303.362 3.055 0 40 DGAB Clc1ccc2nccc(N3CCC4(CC3)OCCO4)c2c1 79353690 BYCFRZZXEYILEF-UHFFFAOYSA-N 304.777 3.232 0 40 DGAB C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)c1ccsc1 84667431 KHWCPHXDTHUITJ-ZWNOBZJWSA-N 317.414 3.476 0 40 DGAB FC(F)(F)c1ccnc(NCc2ncc(-c3ccccc3)[nH]2)n1 89851244 NILKYCVKXDXHTJ-UHFFFAOYSA-N 319.290 3.498 0 40 DGAB CCc1ccc([C@@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)o1 90592003 KEBNSYZITHNRKC-PWSUYJOCSA-N 318.339 3.046 0 40 DGAB CCOc1ccccc1CCC(=O)N[C@@H]1CCC[C@@H](N(C)C)C1 95408051 BVBCURZBNLCSLC-IAGOWNOFSA-N 318.461 3.007 0 40 DGAB CC(C)OC[C@@H](O)COC(=O)c1cc2cc(Cl)ccc2o1 95454638 CETBAZAZARJUII-GFCCVEGCSA-N 312.749 3.029 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)Cc1c(C)noc1C 95948628 JKCGBVXGYUWBSZ-GFCCVEGCSA-N 302.374 3.062 0 40 DGAB CC[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(OC(F)F)cc1 95962974 MDIXIPMADCBKCO-HUUCEWRRSA-N 310.388 3.347 0 40 DGAB Cc1csc([C@@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 95968562 CNBTYXXSNPEGOC-RYUDHWBXSA-N 319.396 3.129 0 40 DGAB CC[C@@](C)(NC(=O)c1cccc(C(=O)O)c1)c1nc(C)cs1 95976721 MJZGIVIIGJTJOV-MRXNPFEDSA-N 318.398 3.205 0 40 DGAB COc1ccc(O)c(NC(=O)c2cnn(C)c2-c2ccccc2)c1 95986027 BSIHWAPQHVDACT-UHFFFAOYSA-N 323.352 3.054 0 40 DGAB COc1cc(NCc2ccncc2)cc(OC)c1Br 95986884 JRVDRXUZAYZJPA-UHFFFAOYSA-N 323.190 3.473 0 40 DGAB CC(C)(O)CN(Cc1ccccc1)C(=O)NCc1ccsc1 95987541 ZZMUXHMFUVZTLB-UHFFFAOYSA-N 318.442 3.231 0 40 DGAB CCO[C@@H]1C[C@@H](N[C@@H](C)CC(=O)OC(C)(C)C)C12CCCC2 95988050 JBDQQZCBUQMFOD-RRFJBIMHSA-N 311.466 3.434 0 40 DGAB Cc1ccc(NC(=O)c2ccn(-c3ccc4ccccn34)n2)cn1 96038026 AVRNXKGMFAUGMM-UHFFFAOYSA-N 317.352 3.081 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1ccccn1 96231188 NURNUTKCVHBFFO-MRXNPFEDSA-N 321.380 3.379 0 40 DGAB CCOCCO[C@@H](C)C(=O)N1CCCCC[C@@H]1c1ccc(C)o1 96414179 ULGBACNGWVHOEG-JKSUJKDBSA-N 323.433 3.473 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@H](C)Cc1cccs1 96439799 MJXIXFWRXGLPMO-NEPJUHHUSA-N 320.462 3.029 0 40 DGAB Cc1ccc(O[C@H](C)CNC(=O)N[C@H](C)c2nccs2)cc1 96439964 XPZBGXPUKLBULA-CHWSQXEVSA-N 319.430 3.279 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NC[C@H](O)c2ccco2)cc1 96476533 NXUZUQOZHLISES-DYVFJYSZSA-N 311.385 3.158 0 40 DGAB CCCc1cc(C(=O)O[C@@H](c2ccccn2)C(F)(F)F)[nH]n1 96483249 POZIELTZWCKITA-LBPRGKRZSA-N 313.279 3.218 0 40 DGAB C[C@H](CSC(C)(C)C)NCc1ccc(S(C)(=O)=O)cc1 97228291 HRMDBJLUGLEKPA-GFCCVEGCSA-N 315.504 3.100 0 40 DGAB CCCOc1ccc(CNC(=O)c2ccc(COC)o2)cc1 97427502 XXYYOUAEYWEAFV-UHFFFAOYSA-N 303.358 3.145 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1C(=O)c1cccs1 100141218 SJYAWMHDJJJNBV-AAEUAGOBSA-N 324.409 3.001 0 40 DGAB O=C(N[C@H]1[C@@H]2c3ccccc3C[C@H]21)c1c(F)c(F)cc(F)c1F 104288052 DOOASQRWQMIIOF-VYROHLMNSA-N 321.273 3.311 0 40 DGAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 106673481 AAFRUTSENCMPBY-YLFCFFPRSA-N 321.461 3.049 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](c3noc(C)n3)C2)C1(C)C 106904202 QIPVBXLJXOJMJD-RRFJBIMHSA-N 317.433 3.322 0 40 DGAB COc1ccccc1CC(Cc1ccccc1OC)C(=O)O 144119055 HVSLNRDISMIYKQ-UHFFFAOYSA-N 300.354 3.190 0 40 DGAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1ccnn1C 189483417 GJENSCKMUWANTO-WBMJQRKESA-N 305.809 3.036 0 40 DGAB O=C(CCCC(=O)Nc1ccccn1)Nc1ccc(Cl)cc1 199422434 OIGSPMHTNSXZNO-UHFFFAOYSA-N 317.776 3.483 0 40 DGAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccccc2)c1 223787503 YYAJNTKQEURRPQ-UHFFFAOYSA-N 303.427 3.290 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2Cl)cn1 223934674 QOXKGEMZBPPOHD-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NCC(C)C 224141673 LVAJKRUQKHRIAC-MRXNPFEDSA-N 318.461 3.284 0 40 DGAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2)cc1C 224598752 ZOLKLSIQVFGUSX-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)Cc1ccc(F)cc1 225185152 VRUUSLOTIDYJHN-QGZVFWFLSA-N 306.425 3.139 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3cccc(C(F)(F)F)c3)=NN[C@@H]2C1 228924528 VXFCTMWUXGFSCN-YPMHNXCESA-N 310.319 3.387 0 40 DGAB CC(C)Oc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1 257300384 RUBRXWIBYFWSIW-MRXNPFEDSA-N 320.433 3.355 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)s1 257320030 VVAXLFCXQBMVQY-OAHLLOKOSA-N 315.442 3.185 0 40 DGAB CCC(=O)N1Cc2cn(-c3ccccc3)nc2-c2ccn(C)c2C1 306125576 CUJBFFRMHDEULY-UHFFFAOYSA-N 320.396 3.130 0 40 DGAB C[C@H]1CN(C(=O)c2cc(F)cc3cccnc23)CC2(CCC2)O1 570967305 AZGQYGOLLDEUDX-LBPRGKRZSA-N 314.360 3.158 0 40 DGAB COc1ccc2c(c1)CN(Cc1cc(C(=O)O)sc1C)CC2 584637931 GGWCFOQSPYEGOO-UHFFFAOYSA-N 317.410 3.322 0 40 DGAB C[C@@H]1CCCC[C@@]12CC(=O)NN2C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585128364 ZIOLMTCGMIJSNW-SUKQMUEJSA-N 304.434 3.025 0 40 DGAB CCc1nc(C)c(CN2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)[nH]1 585286458 QTQAWLVZSJZORW-KBXCAEBGSA-N 305.466 3.450 0 40 DGAB O=C(C[C@@H]1CCCC1(F)F)NCc1nc2cc(F)ccc2o1 1548453534 QDBXAZSGLFWOAE-VIFPVBQESA-N 312.291 3.409 0 40 DGAB C[C@@H]1CN(C2CCN(C/C=C/c3ccc(F)cc3)CC2)CCO1 92079573 LEDUHAHJXJZCRB-WOMSROEHSA-N 318.436 3.024 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2)s1 204444 HBBWRQFKWKHUEU-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CC(C)(C)Cc1nnc(NC(=O)Cc2ccc(F)cc2)s1 380361 KFIZKBGIYGIYRF-UHFFFAOYSA-N 307.394 3.447 0 40 DGAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N(Cc1ccco1)C1CC1 71839142 ZFRVLPUBSYDJAP-UHFFFAOYSA-N 324.336 3.033 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C)cc1 1918974 OMDMKTBDGJVMDS-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCN3C(C)=O)cs1 4892613 PTSAITVCUGVUGO-UHFFFAOYSA-N 315.398 3.068 0 40 DGAB CCCNC(=O)CSc1nc(C(C)C)nc2ccccc12 4936730 XMHATYHUAKJFLJ-UHFFFAOYSA-N 303.431 3.372 0 40 DGAB O=C(CSc1nnc2c(n1)CCCC2)c1ccc(Cl)cc1 4968411 PWCSDKFTVUPPCB-UHFFFAOYSA-N 319.817 3.379 0 40 DGAB COC(=O)c1ccc(NC(=O)Cn2c(C)cc3ccccc32)cc1 6714682 ZBZNCYWRIHKCGL-UHFFFAOYSA-N 322.364 3.375 0 40 DGAB Cc1c(C(=O)Nc2ccccn2)cnn1-c1ccc(Cl)cc1 32902512 CURXPYRBHUDKAI-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1ccc(C)c(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)c1 10325514 NYOZFYLBRGCXAQ-HNNXBMFYSA-N 310.353 3.032 0 40 DGAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCC(Oc2ccccc2)CC1 71835045 XBXCUSULIAMEEO-IRXDYDNUSA-N 311.381 3.453 0 40 DGAB CCC(=O)Nc1nc2ccc(NC(=O)C(F)(F)F)cc2s1 8071342 KVNDZSAVGQUVNX-UHFFFAOYSA-N 317.292 3.146 0 40 DGAB CCCSCC(=O)Nc1ccccc1Sc1nncn1C 71893372 STPDMVVCQJPYMY-UHFFFAOYSA-N 322.459 3.048 0 40 DGAB CCn1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)ccc1=O 47230345 XDSXPSYRGKCHAO-XIACAKRESA-N 312.369 3.237 0 40 DGAB CCCCc1nnc(NC(=O)c2ccc(C)c(OC)c2)s1 23363766 APRKNHOTMQZRDN-UHFFFAOYSA-N 305.403 3.450 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)s1 12531003 NWIXBRIQCBKOQW-HNNXBMFYSA-N 311.410 3.309 0 40 DGAB Cc1cn2c(=O)cc(COc3cccc(C)c3C)nc2s1 21368838 SKOGBPPBRQONQK-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB COc1ccc(C(=O)OCc2nc(-c3ccc(C)cc3)no2)cc1 25110805 MKZWKUFUSVBTCR-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB O=C(Nc1nc2ccccc2s1)c1ccc(-n2ccnc2)nc1 25249125 VKNFMHCMTPRKNV-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB O=C1CCCN1CC(=O)N1CCC[C@H]1c1cccc2ccccc12 56363000 FNDMYHGEUULQCI-SFHVURJKSA-N 322.408 3.126 0 40 DGAB C[C@@]12C(=O)[C@@]34CCC[C@@H]3[C@H]1[C@H]1[C@@H]3[C@@H]2[C@@]25CCC[C@@H]2[C@@H]3[C@@](C)(C5=O)[C@@H]14 101139771 GCPRYOQVJZFWGP-KSHXDPKOSA-N 322.448 3.489 0 40 DGAB Cc1noc(C)c1CN1CC[C@H]2OCCC[C@@]2(COC(C)C)C1 107712805 YIFJLDWXQHYNLK-MSOLQXFVSA-N 322.449 3.088 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 44583891 VAHLKLTUWNFUKP-ZDUSSCGKSA-N 318.396 3.215 0 40 DGAB Cc1cc(F)ccc1NC(=O)N[C@H](CCO)c1cccs1 72294163 QCQKWZWEWAZCGN-CYBMUJFWSA-N 308.378 3.441 0 40 DGAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cc1ccc(F)cc1 58180919 BVNIRHJSXIPEFK-UHFFFAOYSA-N 322.286 3.244 0 40 DGAB COC(=O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 23038105 NMPHBRMPICEWPD-ZFWWWQNUSA-N 321.804 3.417 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@H](O)c1ccccc1C(F)(F)F 58282438 JNTPUFYIZRTCGS-FZMZJTMJSA-N 313.319 3.211 0 40 DGAB CCCSCC(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 58281964 ZXIPEPWEEUYKCV-SNVBAGLBSA-N 323.393 3.196 0 40 DGAB C[C@@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)c1ccccc1 11188405 TWDUJUWNPNBYLR-CYBMUJFWSA-N 308.333 3.277 0 40 DGAB CCN(C(=O)CSc1nnc(C)s1)c1ccccc1C 48434130 BHSXAYQBSYUMRB-UHFFFAOYSA-N 307.444 3.300 0 40 DGAB CCc1nnc(NC(=O)CCSc2ccccc2F)s1 8724795 PBMTXQMIBPBYKW-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB Cc1noc(C)c1CN(C)CC(=O)Nc1ccccc1Cl 13075554 GTSPQPZQZLNUPH-UHFFFAOYSA-N 307.781 3.015 0 40 DGAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(C(C)=O)cc1 8756211 BKXDIXKYXFMFAL-UHFFFAOYSA-N 321.373 3.244 0 40 DGAB Cc1nc(Cn2ccnc2[C@H]2CN(C)Cc3ccccc32)cs1 306143572 YFRKEUYTBJHQEO-KRWDZBQOSA-N 324.453 3.274 0 40 DGAB O=C(O)C[C@H](NC(=O)CCc1ccccc1F)c1ccccc1 13225110 WTGUZMFDJZIQPU-INIZCTEOSA-N 315.344 3.091 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)s1)c1cccs1 13388973 UKKXXRKPFUGJEJ-ZETCQYMHSA-N 315.803 3.409 0 40 DGAB CC(C)(Oc1cccc(Cl)c1)C(=O)NCCc1cscn1 71903064 SBJYRBCQLSDFKE-UHFFFAOYSA-N 324.833 3.313 0 40 DGAB Cc1cc2c(cc1CNC(=O)c1ccccc1F)OCCCO2 64986987 CPUFZGTVKDGPQF-UHFFFAOYSA-N 315.344 3.225 0 40 DGAB Cc1ccc(NC(=O)COc2ccc3c(c2)OCO3)c(Cl)c1 6128747 RKUYEBICKRJSEH-UHFFFAOYSA-N 319.744 3.395 0 40 DGAB O=C(c1cc(-c2ccc(O)cc2)nc2ccccc12)N1CCC1 8924148 CEQHCVWWJLNQAP-UHFFFAOYSA-N 304.349 3.453 0 40 DGAB COc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c(C)c1 28577637 TXXYHEBETLZAJI-UHFFFAOYSA-N 319.382 3.007 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1ccccc1OC(F)F 6567101 JKAHTWOLXMNQCN-UHFFFAOYSA-N 303.268 3.417 0 40 DGAB C[C@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(N)=O 5795291 YUJZUFKJISFNHN-VIFPVBQESA-N 305.403 3.000 0 40 DGAB Cc1cccc(Nc2nc(N3CCCC3)nc3c2cnn3C)c1 9273203 DKYFZEOMMIXKOY-UHFFFAOYSA-N 308.389 3.016 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)NCc2nc(C)cs2)cc1 67558113 FMICRRRQQDJCBK-LBPRGKRZSA-N 319.430 3.027 0 40 DGAB O=C(NCCSCc1cccs1)c1n[nH]c2ccccc12 7271488 MQFDDIZRYRODMI-UHFFFAOYSA-N 317.439 3.288 0 40 DGAB C[C@@H]1CN(C)[C@H](C)C[C@@H]1NC[C@@H](c1ccccc1)C(C)(C)CO 90657716 MSOPXUOKPTWALB-FPAYPSAMSA-N 318.505 3.107 0 40 DGAB Cc1ccc(N2C(=O)N(CCOc3ccccc3)C(=O)[C@H]2C)cc1 9448433 VBJBGSOILOUXLR-OAHLLOKOSA-N 324.380 3.231 0 40 DGAB Cc1cccc2c(=O)[nH]c(CN(C)[C@H](C)c3ccccc3)nc12 16694728 MMMQHINJDUQQEY-CQSZACIVSA-N 307.397 3.425 0 40 DGAB COc1ccccc1CN(Cc1ccccn1)C[C@H]1CCCO1 69351558 XASSLFFXMDMNRV-GOSISDBHSA-N 312.413 3.271 0 40 DGAB C[C@H](Cn1cccn1)NCc1cccc(OCc2ccccn2)c1 69375398 DCLDWEUVKWGAML-MRXNPFEDSA-N 322.412 3.035 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1C(=O)N1CCC(n2cccc2)CC1 69586342 BCOUXWHUBNAJIY-QZTJIDSGSA-N 324.424 3.464 0 40 DGAB Cc1ccc(C(=O)NCC(=O)N(C)C2CCCCCCC2)s1 84205144 CROQHIGFWJDAJW-UHFFFAOYSA-N 322.474 3.358 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@H](O)c1cccc(Cl)c1 97159581 YFXJWUMMZAAFIC-AWEZNQCLSA-N 307.825 3.184 0 40 DGAB CCSc1ccccc1NC(=O)NCc1nncn1C1CC1 84812145 HDHQUJSIJNHTIJ-UHFFFAOYSA-N 317.418 3.047 0 40 DGAB Cc1ccc(OCCC(=O)Nc2cnn(C(F)F)c2)c(C)c1 95956775 UPJDUZDLCWQTRM-UHFFFAOYSA-N 309.316 3.303 0 40 DGAB Cc1[nH]c2ccccc2c1-c1csc(CS(C)(=O)=O)n1 95960801 SSTRBMTWICPBBJ-UHFFFAOYSA-N 306.412 3.144 0 40 DGAB CCCCOCCN(C)CC(=O)Nc1c(C)cc(C)cc1C 75094085 AOQKHSPCMXRDTE-UHFFFAOYSA-N 306.450 3.299 0 40 DGAB Cc1ccc(CO)cc1NC(=O)COc1cccc(Cl)c1 89644467 FUKRDRPHVRRRBT-UHFFFAOYSA-N 305.761 3.158 0 40 DGAB c1ccc(-n2ccc(CN3CCCC[C@H]3c3ncc[nH]3)n2)cc1 89857616 KTPSYCDERBLMKS-KRWDZBQOSA-N 307.401 3.323 0 40 DGAB CC(C)Oc1cc(CNC(=O)c2scnc2C2CC2)ccn1 89867232 MDUOZHPZRHXAGQ-UHFFFAOYSA-N 317.414 3.133 0 40 DGAB Cn1ccc2c(NC(=O)c3cc(=O)[nH]c4ccccc34)cccc21 62001396 VOLCBAZOBIZNJQ-UHFFFAOYSA-N 317.348 3.272 0 40 DGAB biogenic CCN(CC)CN1C(=O)S/C(=C/c2ccc(OC)cc2)C1=O 408718402 MBYXOSLMNBMFIP-GXDHUFHOSA-N 320.414 3.031 0 40 DGAB Cc1cc(-n2cc(C(=O)N[C@@H](C)c3ccccc3)nn2)ccc1F 67262007 QPGYMCNPVJXNGN-ZDUSSCGKSA-N 324.359 3.206 0 40 DGAB C[C@H](C(=O)Nc1cc2nc(O)[nH]c2cc1N(C)C)c1ccccc1 408528393 HNEZDBUXBQMDHV-NSHDSACASA-N 324.384 3.077 0 40 DGAB CC1=NCCOc2c1c(=O)n(-c1ccccc1)c1ccccc21 38013 XJQFVWOWRVLVIL-UHFFFAOYSA-N 304.349 3.192 0 40 DGAB biogenic O=C(c1ccccc1NCc1cccnc1)N1CCCSC1 1514647385 QCXILYJLKJDFCS-UHFFFAOYSA-N 313.426 3.230 0 40 DGAB CC(C)[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn12 217564962 KLIRRSWHSMOOTP-CQSZACIVSA-N 301.781 3.101 0 40 DGAB CCN(C)c1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72212760 QIBUYOFFEDBQQJ-UHFFFAOYSA-N 321.421 3.025 0 40 DGAB CCCCc1nc(C)sc1C(=O)Nc1ccc(OC)nc1 72402519 GUOKQJXGQPGAEN-UHFFFAOYSA-N 305.403 3.450 0 40 DGAB CC1CCC(N2C[C@@H](C(=O)OC3CCCCC3)CC2=O)CC1 78581639 VLTFFWYMEWMKGK-SLTAFYQDSA-N 307.434 3.290 0 40 DGAB CC[C@H](C(=O)NCC[C@H](O)c1cccs1)c1ccccc1 77113518 QHBOMKFQRHSROC-GJZGRUSLSA-N 303.427 3.482 0 40 DGAB Cc1cc(CNC(=O)c2cnc3n2CCCC3)ccc1Cl 558404246 DLRHJZNOBHRHKI-UHFFFAOYSA-N 303.793 3.111 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC)cc1 38772284 RONSGTCEFRSBMI-QGZVFWFLSA-N 317.360 3.308 0 40 DGAB Cn1cncc1CNCC1(c2ccc(C(F)(F)F)cc2)CC1 186507888 CHLMEOVCIDXWCL-UHFFFAOYSA-N 309.335 3.260 0 40 DGAB CNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 212451905 MFSLMROTMIJBDL-UHFFFAOYSA-N 305.765 3.034 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ccc[n+]([O-])c1 46085464 CZCNUKZLRNDCNV-UHFFFAOYSA-N 316.666 3.245 0 40 DGAB Cc1occc1C(=O)N1CCC[C@@H](c2nc(C(C)C)no2)C1 41122538 CJOWILRSMQFEMN-GFCCVEGCSA-N 303.362 3.114 0 40 DGAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1 225914218 PUAKIOUNBIMHBL-UHFFFAOYSA-N 321.417 3.448 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2)n1 41123296 NNLQIIMMOSIFAU-OAGGEKHMSA-N 311.385 3.235 0 40 DGAB CC1(C)CC[C@@H](NC(=O)Nc2cnns2)c2ccccc21 192356185 PXJOFLJCHFNZSH-GFCCVEGCSA-N 302.403 3.472 0 40 DGAB C[C@@H](CNC(=O)CCc1cscn1)Sc1ccccc1 96431713 FGIJVNLZOHLOBT-LBPRGKRZSA-N 306.456 3.373 0 40 DGAB Cc1ccccc1CN1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1 96207941 NWVHPJGBXLRORU-WOJBJXKFSA-N 314.473 3.214 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)N(C)C[C@@H](C)c1nccs1 97372202 GCKFBSXNGZJSAH-NXEZZACHSA-N 322.434 3.254 0 40 DGAB COC(=O)N1CCC(N[C@H](c2ccccc2)c2ccco2)CC1 97231781 ULKZTJIFWZXINN-QGZVFWFLSA-N 314.385 3.189 0 40 DGAB CCc1nnc(NC(=O)c2oc3ccccc3c2OC)s1 252491202 LIZLAYBPPPEZLJ-UHFFFAOYSA-N 303.343 3.108 0 40 DGAB Cc1cnc2cc(C(=O)N3CCC[C@@H]3c3ccccc3)nn2c1 257294890 QWDWQCVSMJLZFW-MRXNPFEDSA-N 306.369 3.015 0 40 DGAB Cn1ccc2ccnc(CC3CN(C(=O)c4ccc(F)cc4)C3)c21 257299198 RPCINJYTOMERNV-UHFFFAOYSA-N 323.371 3.027 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)c(C)n2)cc1 257173541 QDKFQGLIWWDLEA-MRXNPFEDSA-N 310.397 3.274 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccc(F)c(Cl)c2)n1 257247871 JAXXSXLDPICNSW-CQSZACIVSA-N 321.783 3.417 0 40 DGAB CCCCc1nc(CN2CCC[C@H](c3[nH]ncc3C)C2)c[nH]1 257321576 WCFJEBNAVGAOOI-AWEZNQCLSA-N 301.438 3.163 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 257339057 ZAAQYXGJNZMZFQ-OAHLLOKOSA-N 323.440 3.302 0 40 DGAB CC(C)[C@H]1CN(Cc2c(C(=O)O)oc3ccccc23)CCCO1 378871205 OCJKWKPKJQHWPM-MRXNPFEDSA-N 317.385 3.378 0 40 DGAB CO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1cccc(F)c1 96388853 XYVVATMKBWORPD-INIZCTEOSA-N 320.339 3.152 0 40 DGAB COc1ccc(C(=O)NC[C@@H](OC)c2cccc(F)c2)cc1F 96388332 ARFLUWIYWKWVIA-MRXNPFEDSA-N 321.323 3.091 0 40 DGAB COCCN1CCC[C@]2(CCC(=O)N2CC2CCCCC2)CC1 585100824 YCRTWBVHFSDOAQ-IBGZPJMESA-N 322.493 3.060 0 40 DGAB C[C@@H](NC(=O)c1cccnc1OCC(F)(F)F)c1ccco1 45290514 UYYICIGBTRYDRT-SECBINFHSA-N 314.263 3.107 0 40 DGAB CCOC(=O)C[C@H](n1cc(C)c(C(F)F)n1)C(F)(F)F 685936723 SXRIYXYQWPINAB-ZETCQYMHSA-N 300.227 3.186 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)ccc1Cl 72414668 TWKHJWMYKGPWPU-LLVKDONJSA-N 317.838 3.159 0 40 DGAB CC(C)n1cc(NC(=O)N[C@@H](C)[C@H]2COc3ccccc32)cn1 96484502 ZRUJSGLFQQCVEK-SWLSCSKDSA-N 314.389 3.150 0 40 DGAB Cc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccc(F)cc2)cs1 1615190113 AMNWCWHDJFYYAB-IRXDYDNUSA-N 320.433 3.159 0 40 DGAB Cc1ccc(-c2nc3ccc(N4CCCC4)cc3c(=O)[nH]2)cc1 13143415 MCMBFSNPZZAVHZ-UHFFFAOYSA-N 305.381 3.499 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc2c(c1)CCC2)c1cccs1 13389668 FJNDCSGFMJMLCN-CQSZACIVSA-N 315.394 3.183 0 40 DGAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 13709099 MIZWGTIHEVVACB-AWEZNQCLSA-N 306.365 3.319 0 40 DGAB COc1ccc2[nH]c(=O)c(CNCc3ccc(C)cc3)cc2c1 13999151 HFPLUSPNLWYVEL-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)c(C)c1 14219329 LDVPZOFMRWGKCW-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB O=C(CC12CC3CC(CC(C3)C1)C2)OCC(=O)c1ccc[nH]1 5454483 UOILAHLEXUNHAR-UHFFFAOYSA-N 301.386 3.347 0 40 DGAB COc1ccc(C(=O)NCCSc2ccccc2)c(F)c1 8361299 HAIPOJFBRODTSW-UHFFFAOYSA-N 305.374 3.356 0 40 DGAB CN(C)C(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN1 2037834566 QKWVIHCQWXQLJN-HXUWFJFHSA-N 308.425 3.107 0 40 DGAB CN1CCCC[C@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 1565542426 ZEVRSZYNHTYDMV-SFHVURJKSA-N 318.436 3.091 0 40 DGAB Cn1ccc(C(=O)Nc2ccccc2-c2nc3ccccc3[nH]2)n1 12444372 MBQGQUQEEFENML-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB Cn1/c(=N/C(=O)c2ccno2)sc2ccc3ccccc3c21 101120888 IZVOFYXREURUTP-VLGSPTGOSA-N 309.350 3.122 0 40 DGAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccc(C)cc1 4317620 DUHNELDYSMUHGO-UHFFFAOYSA-N 318.398 3.268 0 40 DGAB C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1ccccc1 70639570 DPLPPVRUCSMRTA-MRXNPFEDSA-N 307.752 3.117 0 40 DGAB CC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCSC1=O 40090492 GMBZQNSAJKCZHP-UHFFFAOYSA-N 318.442 3.258 0 40 DGAB COc1coc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1=O 40267206 IAKFOWRIGBQOQU-UHFFFAOYSA-N 314.124 3.208 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](C(F)(F)F)C1 40480986 MFJIFRVILGBRPA-LLVKDONJSA-N 304.312 3.025 0 40 DGAB Cc1cccc(CNC(=O)COC(=O)c2cccc(Cl)c2)c1 51356128 IYTATVHZBPTABS-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB COc1cccc(-c2cc(C(=O)Nc3ccccc3F)n[nH]2)c1 51315610 NLAVOUCSUPXVGW-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB Cc1nnc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)s1 187495 BRGSMHYHVBXKEN-UHFFFAOYSA-N 323.377 3.330 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(Br)ccc2O)o1 29505803 JXMMGPDBDQRSDI-UHFFFAOYSA-N 324.174 3.328 0 40 DGAB CC(=O)Nc1ccc(C)c(NC(=O)COc2ccc(C)cc2)c1 411367 SZKMFZCKOCHLKQ-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC[C@@H]1CCCO1 1569395 JPWQZUQDQORRCQ-ROUUACIJSA-N 317.429 3.326 0 40 DGAB Cc1ccc(S(=O)(=O)NCCC(Cl)(Cl)Cl)cc1 1737438 OWSUZSBJWHOVTB-UHFFFAOYSA-N 316.637 3.034 0 40 DGAB CCOC(=O)C1CCN(c2ccc(C(F)(F)F)cc2)CC1 2563771 UXZLHUBPEKOOIE-UHFFFAOYSA-N 301.308 3.485 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3cccc(C)c3)o2)cc1 3073305 DNXLLDZRJSPIKA-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C1COc2cc(NC(=O)c3c(F)cccc3Cl)ccc2N1 12098122 OMKHNPLTNRAGGR-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)OCCO3)cs1)C1CCC1 6839578 SETRTZPAIVGJDS-UHFFFAOYSA-N 316.382 3.320 0 40 DGAB COc1ccc(OCCNC(=O)c2ccc(Cl)cc2F)cc1 7816298 ZKEVXKOLAZEOCY-UHFFFAOYSA-N 323.751 3.297 0 40 DGAB Cc1ccc(C)c(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 7928715 XDRRYLATVSLHRT-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB CSCCC(=O)NCc1cccc(OCc2ccccn2)c1 32931153 DORISZRWDHGTNP-UHFFFAOYSA-N 316.426 3.030 0 40 DGAB Cc1cccc(NC(=O)c2nnn(-c3ccccc3)c2C)c1C 2713181 IOXCJYITHSUTBV-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB O=C(CCc1cccnc1)NCc1cccc(C(F)(F)F)c1 21872855 PVDDFFHALIWOSL-UHFFFAOYSA-N 308.303 3.349 0 40 DGAB Cc1ccc(CSCC(=O)NCCc2cscn2)cc1 84150374 YLYSBYORRTVIRE-UHFFFAOYSA-N 306.456 3.044 0 40 DGAB O=C(Nc1cccnc1)c1ccnc(OCc2ccccc2)c1 52979333 JGWBNSZRFHUSCE-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB Cc1ccc(-c2nn3c(C)nnc3s2)cc1NC(=O)C(C)C 558344 GYRSWMRGLLQINZ-UHFFFAOYSA-N 315.402 3.064 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1ccccc1F)c1cccs1 22892838 QDCVPXAEDWNZMZ-CYBMUJFWSA-N 307.394 3.312 0 40 DGAB CCCCNC(=O)C(=O)Nc1ccc(Oc2ccccc2)cc1 9911391 FHVOCVHWDRLLGP-UHFFFAOYSA-N 312.369 3.334 0 40 DGAB c1csc(-c2nnc(COc3cnc4ccccc4n3)o2)c1 28616918 WSVQHJPBQSDAJF-UHFFFAOYSA-N 310.338 3.320 0 40 DGAB COC[C@@H](NC(=O)N[C@H](C)c1nc(C)cs1)c1ccc(C)o1 76094149 QRXHEJLYPFFUJP-VXGBXAGGSA-N 323.418 3.101 0 40 DGAB Cc1ccc(NC(=O)CSc2nc(C)c3c(n2)CCC3)cc1 107736250 WOWCHMVJAATUOI-UHFFFAOYSA-N 313.426 3.313 0 40 DGAB O=C(C[C@H]1OCCc2ccccc21)Nc1c(O)cccc1F 76083455 ZQPBKTIVJGUIKD-OAHLLOKOSA-N 301.317 3.174 0 40 DGAB Cc1ccc(-c2noc([C@@H](C)N3CCSCC3)n2)cc1F 47994219 RYJKPRFLTVWOKR-LLVKDONJSA-N 307.394 3.294 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCc1ccc(Br)s1 25473533 NESVHRSARNCOBN-SECBINFHSA-N 300.221 3.483 0 40 DGAB COc1ccc(NC(=O)CCSC[C@H]2CCCCO2)cc1 56232308 ZFNNKKNTRUQQGV-OAHLLOKOSA-N 309.431 3.326 0 40 DGAB O=C(Nc1cccc2ncccc12)c1cc(=O)[nH]c2ccccc12 12684399 MNQAAYMXSCBRBW-UHFFFAOYSA-N 315.332 3.329 0 40 DGAB COc1ccnc(N[C@H](C)c2cccc(Br)c2)n1 26710101 OXSYCDHFLAJUOW-SECBINFHSA-N 308.179 3.421 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)c3cnccn3)cn2)cc1 44799834 CZZNEYKCMVGCLJ-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB O=C(c1c[nH]c2ccccc12)[C@H](c1ccccc1)N1CCOCC1 25685938 OAWGPVDLBSNHGZ-IBGZPJMESA-N 320.392 3.424 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2sc(C)nc2C)cc1F 44870334 MAPYEOZNWSGHMK-MRVPVSSYSA-N 308.378 3.399 0 40 DGAB Cc1cc(CSc2nnc(C3CC3)n2Cc2ccco2)no1 58245414 XJFRCSSXYUUJMT-UHFFFAOYSA-N 316.386 3.386 0 40 DGAB O=c1[nH]c2c(s1)C1(CCCCC1)c1sc(O)nc1S2 28294982 YLWRPAMNFGUAMF-UHFFFAOYSA-N 312.441 3.313 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 48299121 MXZMFJPZPMCSLM-QGZVFWFLSA-N 304.365 3.487 0 40 DGAB CCOC(=O)CCCCC(=O)c1cccc(CN2CCC2)c1 2515154 WANBAOFJGVOAES-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)ccc1OC(F)F 49548305 XZIUFPGSDVCWSS-SECBINFHSA-N 323.299 3.154 0 40 DGAB O=C(Oc1ccc(Br)cc1)c1ccc(O)cc1O 4178952 RYDHWXUGLJRUTG-UHFFFAOYSA-N 309.115 3.080 0 40 DGAB CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 8708680 USSSAFMKAQVMGU-UHFFFAOYSA-N 301.365 3.030 0 40 DGAB CCOc1ccc(-c2cc(C(=O)OC)c3c(C)noc3n2)cc1 39983756 GRHKAVFLZONHTD-UHFFFAOYSA-N 312.325 3.384 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)[nH]c2c1 69740717 MQQPDZRWWNNENK-OAHLLOKOSA-N 308.385 3.150 0 40 DGAB NC(=O)c1ccc(NC(=O)CSc2ccccc2Cl)cc1 6352035 WYKBLTISMKKRGT-UHFFFAOYSA-N 320.801 3.170 0 40 DGAB Cc1ccc([C@H]2CCCN2c2ncnc3c2cnn3C)cc1C 65415407 HTBXXOLHLRBFIJ-MRXNPFEDSA-N 307.401 3.322 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(C)c(F)c2)c1 6509129 VTYZGYHBZUFBSN-UHFFFAOYSA-N 314.360 3.201 0 40 DGAB COc1ccc(OC)c(CC(=O)N[C@@H](C)c2ccc(F)cc2)c1 22540242 CFAPUWUKHLYHAC-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)NC2CCOCC2)C2CC2)o1 80088185 VMWWKMWAOMKKLH-BLLLJJGKSA-N 318.417 3.256 0 40 DGAB C[C@@H](NC(=O)N1CCC(CO)CC1)c1csc2ccccc12 72268287 WDYJKYKFJCCMLE-GFCCVEGCSA-N 318.442 3.376 0 40 DGAB COC(=O)[C@@H](Sc1ncn[nH]1)c1cccc(Cl)c1Cl 96005545 PPGLWNSUHLNXJT-VIFPVBQESA-N 318.185 3.118 0 40 DGAB Clc1cccc(Cc2noc([C@H]3CCn4cncc4C3)n2)c1 96009445 OLXBIIAITYCVCT-LBPRGKRZSA-N 314.776 3.240 0 40 DGAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@@H]2CCCC[C@H]2C1 78494826 JHNBULPDCHGRSI-QWRGUYRKSA-N 318.402 3.452 0 40 DGAB Cc1nccc(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)n1 84290684 ZMJKYGVVNIBOSQ-ABAIWWIYSA-N 311.385 3.306 0 40 DGAB Cc1noc(-c2ccccc2)c1C(=O)NCCOC1CCCC1 97140553 PZMSNLFZFMGHKL-UHFFFAOYSA-N 314.385 3.339 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)Nc1ccc(F)c(Cl)c1 9478675 VPXKRZFWAHUVLD-FNORWQNLSA-N 307.756 3.481 0 40 DGAB N[C@@H](Cc1c[nH]c2ccccc12)CN1CCc2ccccc2C1 19852706 XLGJRFMSEVYXJY-SFHVURJKSA-N 305.425 3.096 0 40 DGAB Cc1cc2cc(C(=O)NCC[C@H](O)C(F)(F)F)oc2cc1C 96431143 BXCJBFOTAQZLCA-ZDUSSCGKSA-N 315.291 3.093 0 40 DGAB Cc1cnccc1CCNC(=O)c1c(C)noc1-c1ccccc1 97108283 CPIMQCYMFZPOPS-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB CO[C@@](C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 71882641 CRGJPSGVVSVWBY-LJQANCHMSA-N 324.380 3.072 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H](c2ccccc2)O1 71827220 NPKMQCSRAQIFTI-MLGOLLRUSA-N 318.804 3.281 0 40 DGAB CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 71916410 PUEVVQRYCXLDJL-GDLCADMTSA-N 310.344 3.242 0 40 DGAB O=C(NC[C@@H](O)c1ccc(F)cc1)[C@H]1CCCc2ccccc21 78684678 FRWMOALLEXKKJM-ZWKOTPCHSA-N 313.372 3.095 0 40 DGAB OC[C@H]1CCCN(c2ncc(Br)c3ccccc23)C1 78876101 CNIJWTUGTHBKIT-NSHDSACASA-N 321.218 3.206 0 40 DGAB CCN(CC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2 84765513 JNHNABRWCYHUKN-UHFFFAOYSA-N 316.445 3.187 0 40 DGAB CC[C@@H](NC(=O)Nc1cc(C2CCC2)nn1C)c1ccncc1 95418858 WTISZIYOJVMSOW-CQSZACIVSA-N 313.405 3.355 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)N1CC[C@H]2OCCC[C@@H]2C1 95426426 GXWPNJPHEYEQFP-GVDBMIGSSA-N 316.445 3.131 0 40 DGAB O=C(NO[C@H]1CCCCO1)Nc1ccc(N2CCCCC2)cc1 95942364 MIASDKSMFQCAKQ-INIZCTEOSA-N 319.405 3.257 0 40 DGAB CC1(C(=O)N2CCc3c(ncn3CCc3ccccc3)C2)CCC1 95986990 MUWUSIMOQITIRV-UHFFFAOYSA-N 323.440 3.201 0 40 DGAB CC(=O)N1CCC(Nc2ccccc2N(C)C2CCCC2)CC1 95983070 SZPZISDRTYEYCM-UHFFFAOYSA-N 315.461 3.488 0 40 DGAB Cc1ccccc1COc1cccc(NCc2ncnn2C)c1 86208171 CQPZXZREIXIUBY-UHFFFAOYSA-N 308.385 3.315 0 40 DGAB C[C@]1(O)CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)C1 89847505 QGEDRZJKPFASLP-KRWDZBQOSA-N 320.820 3.058 0 40 DGAB CCOCc1ccc(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)cc1 89988660 UPIYNTCYTPKEOL-YOEHRIQHSA-N 319.449 3.027 0 40 DGAB C[C@@H](CNC(=O)N1C[C@H](C)c2ccccc21)CC1(C)OCCO1 89941174 AIAWORJWGGORQR-KGLIPLIRSA-N 318.417 3.109 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C)nn2CC)cc1OCC 28245582 DFAIAPGXKNDAQF-UHFFFAOYSA-N 317.389 3.261 0 40 DGAB Clc1nc(N2CCCCC2)c2nc(Cl)nc(Cl)c2n1 67665030 QDQQDLWAHQXESP-UHFFFAOYSA-N 318.595 3.370 0 40 DGAB in-vitro CCCCC(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 79096401 OFHQRKBMFQBBLV-MRXNPFEDSA-N 318.461 3.193 0 40 DGAB Cc1nc(C(=O)N2CC[C@H](Cc3cccc4ncccc34)C2)co1 72367656 XDYPJXZTHUYHJK-CQSZACIVSA-N 321.380 3.236 0 40 DGAB CSc1ccccc1C(=O)NC[C@@](O)(c1ccco1)C1CC1 75154890 UYCVTXKMQIHBDB-KRWDZBQOSA-N 317.410 3.029 0 40 DGAB C[C@@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1 72394684 GWZYCPNARHGSEZ-CQSZACIVSA-N 312.461 3.262 0 40 DGAB O=C(O)c1ccc2c(c1)[C@]1(C[C@H]1c1ccccc1Cl)C(=O)N2 217476504 NRCFBBJFOVKPPU-SJCJKPOMSA-N 313.740 3.416 0 40 DGAB Cc1occc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 81259049 WOGBCZBLRCAZEN-HNNXBMFYSA-N 307.353 3.229 0 40 DGAB CC(C)c1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@H]2C)cc1 528755676 HILIXSWPRVTPLD-COJSNBRMSA-N 304.434 3.150 0 40 DGAB O=C(c1ccncc1)N1CCC[C@H](c2cc(F)ccc2F)C1 190265805 UOOOEAOUADWMBK-ZDUSSCGKSA-N 302.324 3.380 0 40 DGAB O=C1OCCN1CCc1nc(-c2ccc(Cl)cc2)cs1 45816938 VRFKJGSCVOAQNV-UHFFFAOYSA-N 308.790 3.458 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@](C)(CC(C)C)OC)cc1 225607799 GAQPUKPQGMRVFM-SFHVURJKSA-N 323.433 3.492 0 40 DGAB Cc1cnc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)s1 226747951 VHDNZUCHOLGKSQ-ZDUSSCGKSA-N 307.400 3.035 0 40 DGAB O=C(Nc1cccs1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225679582 LRKGJOFUNGCWMZ-GFCCVEGCSA-N 316.382 3.498 0 40 DGAB COc1cc(C)ccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 9112394 OYLUCQBPULACEL-ZDUSSCGKSA-N 317.360 3.399 0 40 DGAB COc1ccccc1SCC(=O)Nc1cccc2cn[nH]c12 96486428 NVSKNXBQPCBTIC-UHFFFAOYSA-N 313.382 3.302 0 40 DGAB C[C@@H]1C[C@H]1[C@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 96425765 YTPSAVQKARNDPK-RGYTYGDFSA-N 317.820 3.130 0 40 DGAB COc1cccc([C@H](C)OC(=O)c2ccnc(-n3ccnc3)c2)c1 97098233 FNAPDZQBHHVSHQ-ZDUSSCGKSA-N 323.352 3.194 0 40 DGAB FC1(F)CCN(CC2CC2)C[C@]12CCN(c1cccnc1)C2 96051135 BVOLRCASRQZKOC-INIZCTEOSA-N 307.388 3.029 0 40 DGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2)c(C)c1 96658891 NMWSMXJGUQHUCQ-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB CCNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCOCC1 257257282 KOWPEOVRIHLTAT-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB Cc1ccc(NC(=O)OC(C)(C)C)cc1NCc1cn(C)nn1 96484046 PBRQLGXJYFDZIC-UHFFFAOYSA-N 317.393 3.083 0 40 DGAB Cc1cc(OCCC(C)C)n2nc(C3CCOCC3)cc2n1 12233559 JXZCQIRITIABSK-UHFFFAOYSA-N 303.406 3.357 0 40 DGAB CSc1ncc(C(=O)N[C@@H](c2cccs2)C(C)C)cn1 12200601 BTTYMVCDTMIGKL-GFCCVEGCSA-N 307.444 3.387 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1c(F)cccc1F 13265216 JQPXURDGBSANFL-APPDUMDISA-N 301.340 3.325 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Cc2ccccc2)C1 19737347 NFEOVXHZRHXZHY-OAHLLOKOSA-N 303.402 3.445 0 40 DGAB CCc1nnc(C2CCN(C(=O)c3cccs3)CC2)s1 23140716 VQYMYOJXQIHWNZ-UHFFFAOYSA-N 307.444 3.182 0 40 DGAB Cc1ccc(CN2CC(Oc3ccnc(C(F)(F)F)c3)C2)o1 1889108565 RMYZIZGNBNSMQO-UHFFFAOYSA-N 312.291 3.265 0 40 DGAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(=CC2CC2)C3)c(C(F)F)n1 1776009441 LULUSHRHVWMIMA-STQMWFEESA-N 321.371 3.461 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)Nc1c(F)cccc1F 22841716 DPHPCPPFORGTPP-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(NCc1ccc(C2CC2)nc1)c1ccc2ncsc2c1 1565522982 CYIMOLYWZOHJTB-UHFFFAOYSA-N 309.394 3.499 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)cc(C)nc2Cl)cc1 50898 YXBZQVDYGKGULO-UHFFFAOYSA-N 310.806 3.461 0 40 DGAB NC(=O)c1ccsc1NC(=O)/C=C/c1ccccc1Cl 4281521 ZFHRIJDADWTGJQ-AATRIKPKSA-N 306.774 3.152 0 40 DGAB CCC[C@@H](C)c1cc(NC(=O)CCc2c(C)nn(C)c2C)[nH]n1 96440776 UYWAGEHBRBYRPF-LLVKDONJSA-N 317.437 3.235 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@H](CN(Cc3ccccc3)C2)C1 100069321 JFLCCGFMLBSXBA-IAGOWNOFSA-N 316.445 3.375 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](C)c2cccs2)n1 40120702 PKVZSAQTDGAPTB-BXUZGUMPSA-N 320.462 3.258 0 40 DGAB CCCCOC(=O)Cn1c(=N)n(CCCC)c2ccccc21 20149746 XFIUWVXANZYJQJ-UHFFFAOYSA-N 303.406 3.066 0 40 DGAB CCOc1cccc(-c2nnc(NC(=O)C(F)(F)F)s2)c1 183235 SFUIITLJXZLILU-UHFFFAOYSA-N 317.292 3.105 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NS(=O)(=O)Cc1ccccc1)C2 101460793 VAXCYJOXMMLAKY-UXLLHSPISA-N 307.459 3.321 0 40 DGAB COc1ccc(O[C@H](C)C(=O)Nc2cc(C)ccc2O)cc1 21001224 XMSZPGWFDUDYCN-GFCCVEGCSA-N 301.342 3.115 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1 349099 WSMJGIMQTHFEQJ-FQEVSTJZSA-N 323.392 3.397 0 40 DGAB Cc1cc(S(=O)(=O)NCc2ccco2)c(Cl)cc1Cl 367667 LECXUYNGESBTQJ-UHFFFAOYSA-N 320.197 3.373 0 40 DGAB CC[C@@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 21328773 JIHUZPZGENNKFL-OAHLLOKOSA-N 323.352 3.369 0 40 DGAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccccc2)o1 417801 RRSGBONYBAHMHD-GFCCVEGCSA-N 317.414 3.230 0 40 DGAB CCCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@@H](C)CC 69454259 XDBXTXFZAPFJOT-ZDUSSCGKSA-N 311.447 3.131 0 40 DGAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 46787266 IEEAOUSASUGEDS-GXFFZTMASA-N 317.307 3.332 0 40 DGAB Cc1cc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)ccc1F 22131128 KYAVPULRRCKAQX-UHFFFAOYSA-N 321.735 3.446 0 40 DGAB C[C@H](C(=O)Nc1ncccn1)N(C)Cc1cccc2ccccc12 77169537 GJLHZSJENLZLLN-CQSZACIVSA-N 320.396 3.089 0 40 DGAB Cc1ccc(CCNC(=O)[C@@H](C)OC2CCCCCC2)cn1 84191241 HLCJYYNOHRWNFE-OAHLLOKOSA-N 304.434 3.177 0 40 DGAB CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CCCO1 9416928 HVELSRUWCHJXKN-GJZGRUSLSA-N 304.434 3.296 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 104331784 XYZSITLJXNNJLA-HNNXBMFYSA-N 321.384 3.086 0 40 DGAB O=C(NCC1(c2cccc(Cl)c2)CCOCC1)c1ccoc1 54314152 WYVLUUYWUDTRKZ-UHFFFAOYSA-N 319.788 3.411 0 40 DGAB Cc1ccc(C)c(NC(=O)CCC(=O)CC(=O)c2ccncc2)c1 104274342 FEDSODGXIURAPG-UHFFFAOYSA-N 324.380 3.259 0 40 DGAB COc1cccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)c1 1427544 OWGCXBOVKWSXOC-CQSZACIVSA-N 322.316 3.243 0 40 DGAB CCCCCNC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 25704439 VPMYVFILHUTVJZ-MRXNPFEDSA-N 324.424 3.499 0 40 DGAB CONC(=O)c1cc2sc(Nc3ccccc3)nc2s1 25825776 ALGLCJDVUMZLDN-UHFFFAOYSA-N 305.384 3.393 0 40 DGAB C[C@H](CCc1ccccc1)CC(=O)NC[C@H]1CCCN(C)C1 72273291 JUQJOOCKDTUXNX-SJLPKXTDSA-N 302.462 3.103 0 40 DGAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1ccoc1 57783202 JOWQBYAHVPOHFA-UHFFFAOYSA-N 312.350 3.359 0 40 DGAB COc1ccc(N(C)C(=O)c2cc3ccccc3[nH]2)cc1OC 58197314 BHBXNUUAHXVBRS-UHFFFAOYSA-N 310.353 3.462 0 40 DGAB Cc1ccccc1OCC(=O)NCCc1c[nH]c2ccccc12 10214675 CNCDYURMCANPHT-UHFFFAOYSA-N 308.381 3.214 0 40 DGAB Cc1c(-c2ccccc2)nc(SCc2ccccn2)[nH]c1=O 97141242 FDRILMFBIHGZDJ-UHFFFAOYSA-N 309.394 3.433 0 40 DGAB O=C(C1CC1)N1CCC[C@@H]1C1CCN(Cc2ccccc2)CC1 58316210 RQAHUZYXGBSDKK-LJQANCHMSA-N 312.457 3.300 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cccc3c2ccn3C)c1 36359858 NJWNKQHHXQUPHT-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB CCOC(=O)c1cccc(C(=O)c2ccccc2CN2CCC2)c1 2515605 XRZNANMAVAUXJN-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1F 12925038 WFXNWLXLYZPXHF-UHFFFAOYSA-N 312.344 3.279 0 40 DGAB Cc1noc(CCCC(=O)N[C@@H]2CCCCc3ccccc32)n1 69510643 BJMBUDJOCFZMPZ-MRXNPFEDSA-N 313.401 3.285 0 40 DGAB COC(=O)c1ccc2c(C=O)cn(C(=O)OC(C)(C)C)c2c1 4200697 ZWBQQPNSHLBCRE-UHFFFAOYSA-N 303.314 3.024 0 40 DGAB C[C@H](NC(=O)c1cncc(Br)c1)c1cccc(F)c1 8751325 AMQCRFTUGUIUJQ-VIFPVBQESA-N 323.165 3.474 0 40 DGAB COC(=O)c1oc(CN2CCC[C@@H](C(F)(F)F)C2)cc1C 65564757 UXPVPOSUGLGAKU-SNVBAGLBSA-N 305.296 3.149 0 40 DGAB Cc1ccc(C(=O)NC(c2ccccc2)c2ccccc2)c(=O)[nH]1 65552698 JBMHZWMPIGLMFD-UHFFFAOYSA-N 318.376 3.203 0 40 DGAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 5421480 RZIWURJVYCEPJQ-AWEZNQCLSA-N 318.735 3.292 0 40 DGAB CCOC1CCN(C(=O)NC[C@@H](C)Sc2ccccc2)CC1 75805119 IKSFLYPSGBXJDD-CQSZACIVSA-N 322.474 3.378 0 40 DGAB COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(C)cc3)C[C@H]21 5745597 QPVCGTWYQJIBMH-OAHLLOKOSA-N 322.364 3.317 0 40 DGAB COc1ccc(CC(=O)NC2CCCCCC2)c(OC)c1OC 8936040 IAHICVCOZURWRR-UHFFFAOYSA-N 321.417 3.094 0 40 DGAB Cc1cc(Oc2ccc(F)cc2)n2nc(C(F)(F)F)nc2n1 28068734 KQZVHCGVGNLDDY-UHFFFAOYSA-N 312.226 3.383 0 40 DGAB CCc1ccc(O[C@@H](C)C(=O)NCc2csc(C)n2)cc1 15832276 WUCYXYAGDUJUPL-NSHDSACASA-N 304.415 3.098 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CN2CCCc3ccccc32)c1C 7587792 VOBZTPXKELKYGV-UHFFFAOYSA-N 310.397 3.470 0 40 DGAB c1cncc(-c2nnc(Sc3ncnc4sccc34)o2)c1 8199276 XBJNKNGOOADPAO-UHFFFAOYSA-N 313.367 3.288 0 40 DGAB C[C@@H]1CCCN(C[C@@H](C)NC(=O)c2scnc2C(C)(C)C)C1 72309553 UWKUIZHSLLTDCM-CHWSQXEVSA-N 323.506 3.291 0 40 DGAB CSC[C@@H](C)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 97234063 PMYWTZXRZFIFIO-RLAWYHOSSA-N 314.495 3.258 0 40 DGAB Cc1cnc(NC(=O)c2sc(Nc3ccccc3)nc2N)o1 9330724 MLAHIAORDSHUPI-UHFFFAOYSA-N 315.358 3.018 0 40 DGAB O=C(N[C@@H](c1ccc(F)cc1)C1CC1)c1ccc2c(c1)OCO2 84392658 HSPRNELMNSITPK-QGZVFWFLSA-N 313.328 3.436 0 40 DGAB O=C(CCc1ccc(Cl)cc1)NCc1nc2ccccc2[nH]1 9466567 JLWLOAXVZBEBRW-UHFFFAOYSA-N 313.788 3.465 0 40 DGAB COc1ccccc1C(C)(C)NC(=O)NC1CCSCC1 71799662 ODPWSPBOVKJBEP-UHFFFAOYSA-N 308.447 3.125 0 40 DGAB O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@H](O)C1 96434375 LSVLZIFJAJSTKM-INIZCTEOSA-N 318.417 3.244 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)cc(F)c1 9544522 ODAHGVFPAAVPFE-RFAUZJTJSA-N 305.280 3.132 0 40 DGAB CC(=O)Nc1nc(CN2CCC(c3ccccc3)CC2)cs1 83815604 JWPWGQFQLVIHQV-UHFFFAOYSA-N 315.442 3.481 0 40 DGAB CN(C(=O)Nc1ccccn1)[C@H]1CCCN(Cc2ccccc2)C1 72733307 LOCZWLRUQDLYPA-KRWDZBQOSA-N 324.428 3.210 0 40 DGAB Cc1ccccc1CCNC(=O)N1CCN(c2ccccc2)CC1 9866248 BFHNSXMMOKLNOW-UHFFFAOYSA-N 323.440 3.069 0 40 DGAB C[C@H](c1ccccc1)n1ccc(NC(=O)CC[C@@H]2CCCO2)n1 95414308 XHFBBEXYGQHEBV-ZBFHGGJFSA-N 313.401 3.390 0 40 DGAB COc1ccc2oc(CNC[C@H]3CCN(C4CC4)C3)cc2c1 95448615 JIWPVOXHDVPXNG-CYBMUJFWSA-N 300.402 3.015 0 40 DGAB O=C(CO[C@@H]1CCOC1)Nc1ccccc1Nc1ccccc1 95992150 HNUKIXNZCVYFNS-OAHLLOKOSA-N 312.369 3.174 0 40 DGAB C[C@H](CN1CCN(C)CC1)N[C@H]1CCCC[C@@H]1C1CCCCC1 95967785 ALRJDAOPULMUEH-RLLQIKCJSA-N 321.553 3.351 0 40 DGAB COCCC1(CNC(=O)Nc2cccc(N(C)C(C)C)c2)CC1 89869499 BQDRBHOBTKRUMO-UHFFFAOYSA-N 319.449 3.469 0 40 DGAB COc1ccc(-c2noc([C@@H](C)Sc3ccccn3)n2)cn1 89913669 RGAFZJQZJARXOT-SNVBAGLBSA-N 314.370 3.389 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)C2CCCC2)c(Cl)c1 31551298 PZHMWQXBURQGKH-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB Brc1cnc(Oc2cccc(-n3ccnc3)c2)nc1 77982058 YJXHUJPUSJVHPC-UHFFFAOYSA-N 317.146 3.217 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@@]1(C)CCCS1 120496379 DYGTYTKRLGBZRN-CXAGYDPISA-N 322.474 3.288 0 40 DGAB COc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1C 30322498 BDDZIYPDVYWLQI-CQSZACIVSA-N 319.426 3.086 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NCC(C)C 224972019 NCDCGFABCHEMCC-KRWDZBQOSA-N 318.461 3.019 0 40 DGAB Cc1cccc(C(=O)N2CCSC[C@H]2c2ccc(C)o2)n1 81346406 GWAYUNYDTYOFHA-AWEZNQCLSA-N 302.399 3.222 0 40 DGAB CN(Cc1ccnc(N)c1)Cc1ccc(F)cc1Br 225617730 JYVAQERAEGKWNT-UHFFFAOYSA-N 324.197 3.197 0 40 DGAB S=C(Nc1nc(Cl)cc(Oc2ccccc2)n1)NC1CC1 226004879 WXFJMHFSLODZHD-UHFFFAOYSA-N 320.805 3.371 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Nc2ccccc2OC)c1 43465603 APVNYIJVFOWWBD-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB COc1ccc(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)cc1 225034451 XVEMHQBFYNCMBB-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@H]2[C@@H]2CCCOC2)cc1 576584307 CKPGKHKKUTYHTG-AEFFLSMTSA-N 311.429 3.468 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@@H](c1cc(F)ccc1F)C1CC1 96432683 FRSSIJRCTSNOFU-SUMWQHHRSA-N 309.356 3.491 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]ccc2c1)[C@@H](O)c1ccc(F)cc1 95429977 PICLRCSJYAUICD-APPDUMDISA-N 312.344 3.159 0 40 DGAB OCCC[C@H](Nc1ncc(Br)cn1)c1ccccc1 96419509 KJCBNNRQRRDXAF-ZDUSSCGKSA-N 322.206 3.165 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H](CC(=O)O)c2ccccc2C)o1 97231184 SRHNVIRLWJSKFC-INIZCTEOSA-N 315.369 3.161 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2ccc(-c3ccccc3)n2C)o1 96442088 UFYLGYRBFNSGQM-LLVKDONJSA-N 311.341 3.302 0 40 DGAB Cc1cc(NC(=O)N[C@@H]2CCSc3ccccc32)n(C)n1 43432541 IWKDAUMIXFZAAN-GFCCVEGCSA-N 302.403 3.087 0 40 DGAB CCOC(=O)C[C@@H](C)n1cc(Br)c(C(F)F)n1 685936569 HERHAIARZDYREQ-ZCFIWIBFSA-N 311.126 3.097 0 40 DGAB COc1ccc(Cl)cc1CN1CCC(c2nc(C)no2)CC1 54678280 IWLGYHZKTRROFW-UHFFFAOYSA-N 321.808 3.420 0 40 DGAB c1ccc(Cc2noc(CN3CCC(n4cccc4)CC3)n2)cc1 58526157 JKGKKUCTVFYOIO-UHFFFAOYSA-N 322.412 3.299 0 40 DGAB Cc1nnc([C@H](C)N2CCC[C@H](CN3CCCCCC3)C2)o1 69660466 NKYGPWKRYICZKR-GOEBONIOSA-N 306.454 3.027 0 40 DGAB CC[C@H](CC1CCCCC1)C(=O)NCc1nnc2ccccn12 74687452 PYWWWKZNRMCURE-OAHLLOKOSA-N 314.433 3.342 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@H](Oc2nccs2)C1 585320733 PXJNPZVUIZXOKC-JTQLQIEISA-N 323.805 3.482 0 40 DGAB Cc1cccc(CN(C)C(=O)c2cc(Br)c[nH]2)c1 37499363 NBDHCZLNYYKNMK-UHFFFAOYSA-N 307.191 3.358 0 40 DGAB in-vitro NC(=O)[C@H](c1ccccc1)C1CCN(Cc2ccccc2)CC1 3651568 YNMFHXLHFPQXQL-LJQANCHMSA-N 308.425 3.168 0 40 DGAB S=C(Nc1ccc2cn[nH]c2c1)Nc1ccc2cn[nH]c2c1 5933840 OTJWJLLGPAFTIP-UHFFFAOYSA-N 308.370 3.248 0 40 DGAB in-vitro Oc1ccc(-c2nc3cnccn3c2NCc2ccco2)c(O)c1 12113809 INZHMDLGFWLQOB-UHFFFAOYSA-N 322.324 3.013 0 40 DGAB COc1ccc([C@@H](Nc2ccc(C)cc2)P(=O)(O)O)cc1 12523020 LXDWJTRRDNMVJP-HNNXBMFYSA-N 307.286 3.292 0 40 DGAB Cc1ccc(CN(CCCN(C)C)Cc2ccccn2)s1 13990744 XXYDATRNCFOQEB-UHFFFAOYSA-N 303.475 3.405 0 40 DGAB CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@]4(O)CO)C(=O)C[C@H]12 238748361 CNEAFYADRZPYEP-UGCNJCKESA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro NC(=O)CSc1ccccc1NC(=O)CCC1CCCC1 8987548 BWRBXYRJWJZGCV-UHFFFAOYSA-N 306.431 3.173 0 40 DGAB O=C1CCCc2cc(C(=O)CSc3ccccn3)ccc2N1 32322981 GMHNPAMPBZXZNY-UHFFFAOYSA-N 312.394 3.331 0 40 DGAB Fc1cccc(-c2cnc3cnc(CC4CCNCC4)cn23)c1 2037838312 CMMKIYGVYYRQNR-UHFFFAOYSA-N 310.376 3.078 0 40 DGAB C[C@H]1CC[C@@H](OC(=O)CCC(=O)Nc2nccs2)C[C@@H]1C 1421312 QOTJCLZJYOZYKD-SDDRHHMPSA-N 310.419 3.230 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)Nc3cccs3)ccc21 22507109 PVWHGJGWZXFTNL-UHFFFAOYSA-N 301.371 3.301 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)NC1CCCC1 585148059 CZUNHOKMMKHVDS-MRXNPFEDSA-N 314.385 3.222 0 40 DGAB CNc1nc(Nc2ccc(C)c(Cl)c2)c2cnn(C)c2n1 9212223 PDXZLMVSGGBMDK-UHFFFAOYSA-N 302.769 3.110 0 40 DGAB O=C(NC[C@@H]1CCN(c2ccccc2)C1)c1ccc[nH]c1=S 31235603 AOGYYDILLMNCNS-ZDUSSCGKSA-N 313.426 3.000 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)c1cc(F)cc(F)c1 40509250 BXHZQAOLGDSFBY-UHFFFAOYSA-N 318.279 3.174 0 40 DGAB CN(Cc1nc2c(s1)CCCC2)C(=O)C1[C@@H]2CCCC[C@@H]12 101436853 PPTGQHYDJFRKKV-VXGBXAGGSA-N 304.459 3.417 0 40 DGAB COc1ccc(C)cc1CCNC(=O)CCNc1ccccc1 32421932 APKGLUGXSBFMSK-UHFFFAOYSA-N 312.413 3.165 0 40 DGAB CC(C)(C)NC[C@@H](O)COc1ccc(O)c2c1C1CCC2CC1 527 GEVXLKYQQIKELK-JXQTWKCFSA-N 319.445 3.275 0 40 DGAB in-man Cc1ccc2c(CC(=O)NCC[C@H]3CCCO3)coc2c1C 29653166 LMDFDAHDBMJBGE-OAHLLOKOSA-N 301.386 3.277 0 40 DGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 17055013 XPECEXFIBPPNMK-CYBMUJFWSA-N 319.426 3.297 0 40 DGAB Cc1ccc(N2C(=O)C[C@@]3(C[C@@H]4C=C[C@H]3C4)C2=O)cc1Cl 2262373 GXOZXNMLJNKKHT-BWACUDIHSA-N 301.773 3.494 0 40 DGAB CCCc1nnc(NC(=O)CNc2ccc(C)c(C)c2)s1 3084735 GURGGXIMLMZEJH-UHFFFAOYSA-N 304.419 3.158 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C[C@@H](C)O[C@H](C)C1 21578161 OVAGJYWTJLSBDM-CHWSQXEVSA-N 319.836 3.443 0 40 DGAB O=S(=O)(Oc1cccnc1)c1cc(Cl)ccc1Cl 6210071 PYESNRQKEVZASY-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)NC(=O)c1ccccc1 7005040 GJPGUGUEGOFKFP-UHFFFAOYSA-N 324.163 3.329 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1OC 7652248 XMYNJSGBEQZYJV-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB Cc1nc(NC(=O)CC23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)sc1C 102568850 NDYZAASYRZIUIR-QJRTVWDNSA-N 320.458 3.420 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)c1cc(-c2ccccc2)no1 32913665 UGRLKUNYPCFJNI-UHFFFAOYSA-N 312.354 3.323 0 40 DGAB CCO[C@H]1C[C@H](N(C)C(=O)c2c(C)noc2C)C12CCCC2 76019459 LRDQHTIVBKKWMP-KBPBESRZSA-N 306.406 3.101 0 40 DGAB CC1=NN2C(=NC(c3ccco3)=C[C@@H]2c2cc(F)cc(F)c2)N1 8739826 JXYCCRRKYDUMGC-CQSZACIVSA-N 314.295 3.248 0 40 DGAB COC(=O)CCCCCNC(=O)C12CC3CC(CC(C3)C1)C2 57288695 RZGSRDRIYRVUCQ-UHFFFAOYSA-N 307.434 3.052 0 40 DGAB CCN(CC)CCC[C@@H](C)NC(=O)/C=C/c1csc(C)n1 69452438 VBJDMXYTDUMRHC-WTNCMQEWSA-N 309.479 3.091 0 40 DGAB Cn1ccs/c1=N\C(=O)c1cc(-c2ccccc2Cl)on1 47442065 ZXOYKDVOLWZXIN-PEZBUJJGSA-N 319.773 3.136 0 40 DGAB Cc1ccccc1/C=C1\NC(=O)N(Cc2ccccc2F)C1=O 12466202 ZOBUVVLBNUSJAV-YBEGLDIGSA-N 310.328 3.227 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)Nc1ccccc1 555654 HSTUJGJRASAMHF-UHFFFAOYSA-N 302.333 3.439 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)N1CCO[C@@H]2CCC[C@@H]21 53376833 JPRYGXFMHQKSRB-ZWKOTPCHSA-N 312.413 3.271 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)NC1CCCCCC1 22397195 KOYXLGWTJLZLOR-UHFFFAOYSA-N 308.447 3.097 0 40 DGAB C[C@H]1C[C@@H](C)CN(c2ccc3nnc(-c4ccccc4)n3n2)C1 54389423 LOFYVEBIMNSJBT-OKILXGFUSA-N 307.401 3.274 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12592692 RBAFBWCJTGONQA-JTQLQIEISA-N 305.765 3.183 0 40 DGAB CC(C)Oc1ccccc1[C@H](C)N[C@@H](C(N)=O)c1ccccc1 55151839 DKNVHNJZMPUFQB-KBXCAEBGSA-N 312.413 3.351 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)nc2O)c1 25003812 LPQWRNCMSGLNMH-UHFFFAOYSA-N 324.258 3.261 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 12604260 NPSXIJFUVJOKGP-SFHVURJKSA-N 323.371 3.008 0 40 DGAB Cc1cc(NC(=O)C(C)C)n(-c2nc3ccccc3s2)n1 3315920 LVCWFMJZUQZIHT-UHFFFAOYSA-N 300.387 3.385 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1 3317368 SRVRXETYBLYIOJ-GOEBONIOSA-N 303.402 3.155 0 40 DGAB O=c1oc2ccccc2n1CN(Cc1cccs1)C1CC1 26637266 WWSBJIRDFIFXDA-UHFFFAOYSA-N 300.383 3.278 0 40 DGAB O=c1[nH]nc(SCc2ccc(Cl)cc2Cl)c(=S)[nH]1 1907414 AHILHJWYWUXVHC-UHFFFAOYSA-N 320.226 3.427 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(c3ccc(F)cc3)CC2)n1 44583888 VAHLKLTUWNFUKP-CYBMUJFWSA-N 318.396 3.215 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1Cc1ccccc1 58029281 SIOJXURDYXCQRR-ZIFCJYIRSA-N 314.473 3.483 0 40 DGAB CC(C)NC(=O)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 10090773 BIIOTIRFEQPIBN-QGZVFWFLSA-N 309.365 3.279 0 40 DGAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1nc(-c2ccc(F)cc2)no1 58291173 IHGMSAHVHXANJY-NWDGAFQWSA-N 315.348 3.409 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCCO1 44910446 HLSKJVRIIXVMRU-GXSJLCMTSA-N 302.827 3.110 0 40 DGAB COc1cccc([C@H]2CCCN2CC(=O)N2CCC[C@@H](C)C2)c1 48324650 KMGUQQLQUFMAFZ-CRAIPNDOSA-N 316.445 3.091 0 40 DGAB COc1ccc([C@@H](NC(=O)NCc2ccoc2)C2CC2)cc1 45317978 WZKVIZXHVYDZAI-INIZCTEOSA-N 300.358 3.239 0 40 DGAB Cc1ccc(OCc2nc(C(=O)NCC(C)C)cs2)cc1 12818339 HELGTVJXOIRNAP-UHFFFAOYSA-N 304.415 3.416 0 40 DGAB CCCCc1cc(=O)oc2c(C)c(O[C@@H](C)C(=O)OC)ccc12 2479753 QWYOPMLLBBCOTP-LBPRGKRZSA-N 318.369 3.384 0 40 DGAB O=C(O)c1nn(-c2c(Cl)cc(Cl)cc2Cl)cc1O 36721609 FPZUCNBUSYYDKZ-UHFFFAOYSA-N 307.520 3.236 0 40 DGAB in-vitro CN(C)C1(CNC(=O)c2cc3c(s2)CCC3)CCCCC1 3420318 OMKVUMRBPYHSMC-UHFFFAOYSA-N 306.475 3.231 0 40 DGAB Cc1c(Cl)cccc1NC(=O)N1CCC(C2OCCO2)CC1 69521191 FZBGQOPVLWYWJA-UHFFFAOYSA-N 324.808 3.265 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 48909144 LCRKOZSGCNGBQX-CABCVRRESA-N 314.429 3.187 0 40 DGAB OCCN(Cc1ccccc1)C(=S)Nc1ccc(F)cc1 13656233 WYCOERJASVWQJF-UHFFFAOYSA-N 304.390 3.017 0 40 DGAB CCCc1nc(CN2CCO[C@@H](c3nc(C)cs3)C2)cs1 65458268 ISHVIKVTTLAJFU-CYBMUJFWSA-N 323.487 3.434 0 40 DGAB NC(=O)c1ccc(OCc2cc(-c3cccs3)on2)cc1 14159906 SZQRTHUGVAUJPQ-UHFFFAOYSA-N 300.339 3.081 0 40 DGAB CC(C)N1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 4554689 UPUVIELLDUXLJK-VBKZILBWSA-N 323.392 3.148 0 40 DGAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1ccccn1)CO3 20567047 UNMOEFZWPDPDCK-UHFFFAOYSA-N 308.337 3.161 0 40 DGAB Cc1nc2[nH]nc(NC(=O)c3ccccc3)c2c(C)c1Cl 4629496 IPAZZKCOCCATNB-UHFFFAOYSA-N 300.749 3.480 0 40 DGAB C/C=C/c1ccc(OC[C@@H](O)CNC2CCCCC2)c(OC)c1 6627135 FEMFYRDBNGFPHC-GALSZHCDSA-N 319.445 3.390 0 40 DGAB COc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1OC 5676031 VPRADRRMOWYBKO-UHFFFAOYSA-N 311.259 3.373 0 40 DGAB CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 5901963 JSHRZMSSYSHIKJ-SNVBAGLBSA-N 320.458 3.347 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)c(C)c1 9074688 MDWIZYTYMSKAQJ-UHFFFAOYSA-N 320.400 3.380 0 40 DGAB C[C@@H]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc(-n3ccnc3)nc2)C1 68212357 SECNOVHVWTZXLU-INMHGKMJSA-N 324.428 3.308 0 40 DGAB c1nc(Sc2nnc(NC3CC3)s2)c2ccsc2n1 8277930 HLETXBYNEKWGQO-UHFFFAOYSA-N 307.429 3.268 0 40 DGAB C(=C1CCN(Cc2cnc3ncccn23)CC1)c1ccccc1 93695243 MMDKFTMYMKOZDL-UHFFFAOYSA-N 304.397 3.409 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=S)NC3CC3)c2C)cc1 84174781 FBNDBXNMTDSDSB-UHFFFAOYSA-N 300.431 3.246 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)C2=Cc3ccccc3OC2)c1 9495818 PJQDNDGGGCSTAD-UHFFFAOYSA-N 323.348 3.196 0 40 DGAB COc1ccc(CN2Cc3cc(Cl)ccc3OCC2=O)cc1 65184372 SLJPERKPBMEDEW-UHFFFAOYSA-N 317.772 3.270 0 40 DGAB O=C(N[C@H](C(=O)O)c1ccccc1F)c1coc2ccccc12 97036443 CGDAWXDEQKFKRL-HNNXBMFYSA-N 313.284 3.128 0 40 DGAB CCN(Cc1cccc(N[C@H](C)C2CCN(C)CC2)c1)C(C)=O 97045636 ZUQOIWDTINQPHJ-OAHLLOKOSA-N 317.477 3.197 0 40 DGAB C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccccc1F 97018519 NRDLZKDGFTUPGM-GFCCVEGCSA-N 315.344 3.286 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1cnc2ccccc2n1 71859640 DLNCIWHTEYFCJC-MRXNPFEDSA-N 307.401 3.322 0 40 DGAB CC(C)c1nc(C[S@](=O)CC(=O)Nc2ccccc2)cs1 78394655 BEYVXMLGSZAMHY-OAQYLSRUSA-N 322.455 3.154 0 40 DGAB Cc1cc2nc(-c3cc(NC(N)=S)ccc3O)oc2cc1C 20154597 VDJVPKGBTRQLSC-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB COc1ccc2c(CC(=O)Nc3ccc(Cl)nn3)coc2c1 72281609 JIUNHKVQROAVFO-UHFFFAOYSA-N 317.732 3.066 0 40 DGAB CC(C)CC[C@@H]1CCCCN1C(=O)CCn1ccccc1=O 84510251 ANDKLTUMZAYJET-INIZCTEOSA-N 304.434 3.056 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc3[nH]c(=S)oc3c2)no1 72886963 LKTCOIORSAPZST-UHFFFAOYSA-N 303.343 3.059 0 40 DGAB O=C(Nc1ccc(-c2csnn2)cc1)N[C@H]1CCCSC1 79014504 CBLUKLYIEXYXTQ-LBPRGKRZSA-N 320.443 3.222 0 40 DGAB CC(C)(C)Oc1ccncc1NCc1cc(C(N)=O)cs1 95436191 RVNJMCAAXXLJLV-UHFFFAOYSA-N 305.403 3.031 0 40 DGAB Cc1cccc(CC(=O)N[C@H](C)[C@@H](O)c2c(F)cccc2F)c1 95430095 LYTGJSFSOKVLKD-KZULUSFZSA-N 319.351 3.054 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2ncccc2C)C1 95411254 REIVQHQQDYCKRB-KGLIPLIRSA-N 307.463 3.206 0 40 DGAB c1cc2c(s1)CCC[C@@H]2NCCc1nnc2n1CCCCC2 95419801 XSVFOFORDNFKBB-AWEZNQCLSA-N 316.474 3.276 0 40 DGAB COCCN(C)C(=O)Nc1ccc(Cl)c(Br)c1 88405152 XGZGOODNQXWMGV-UHFFFAOYSA-N 321.602 3.213 0 40 DGAB COC(=O)c1cccc(N2Cc3cccc(Cl)c3C2=O)c1 95933662 GRTJZIYUVGAQLO-UHFFFAOYSA-N 301.729 3.287 0 40 DGAB in-vitro CCO[C@@H](C(=O)N(C)Cc1c(C)noc1C)c1ccccc1 95955312 IHLLUBRNOPTHAA-MRXNPFEDSA-N 302.374 3.028 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)s1 95943363 ULZFGSHGVLWZTA-YUTCNCBUSA-N 308.447 3.374 0 40 DGAB C[C@H](O)C[C@H](CNC(=O)c1cccc2[nH]ccc12)c1ccccc1 89894879 PUXXLLFFTCWBIY-GOEBONIOSA-N 322.408 3.452 0 40 DGAB CC(=O)N(Cc1ccccn1)c1ccc(Br)cc1 89930369 IVWGJGCUMSFKDB-UHFFFAOYSA-N 305.175 3.397 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCCCC1 22525152 WKASXZUMOVICKH-KRWDZBQOSA-N 318.461 3.145 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(N)cc2OC)cc1 66141366 ZYQSRVIIMMDBSP-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB Cn1ncc(NCC23CC4CC(CC(C4)C2)C3)c(Cl)c1=O 30611597 VSLMMELYHQVCKM-UHFFFAOYSA-N 307.825 3.062 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)cc1 38848792 SSNAFGNYIJKMPX-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CSc1nc(C(F)F)cc(N2C[C@H](C)O[C@@H](C3CC3)C2)n1 521395290 WQHYQBOWGWXXNW-GZMMTYOYSA-N 315.389 3.140 0 40 DGAB Cc1ccc(C(=O)c2cn3ncc(-c4ccccc4)c3nn2)cc1 70461120 HATATCRPJVAWEL-UHFFFAOYSA-N 314.348 3.331 0 40 DGAB Cc1ncccc1CNC(=O)Nc1cc(C)n([C@H](C)C2CC2)n1 529055932 LXNWRUZWSMTHDJ-CYBMUJFWSA-N 313.405 3.188 0 40 DGAB NC(=O)[C@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 37855709 YVCDRMXIRVSYCA-CYBMUJFWSA-N 323.165 3.227 0 40 DGAB CCOC(=O)C[C@@H](C)SCc1nc(-c2ccsc2)no1 79359119 WMCJWQQOZRDIKP-SECBINFHSA-N 312.416 3.373 0 40 DGAB CC1(C)C[C@@H](NC(=O)COc2ccccc2)c2ccccc2O1 121449333 PICDKBVVJWPURG-MRXNPFEDSA-N 311.381 3.484 0 40 DGAB O=C(C1CCN(Cc2ccc(Cl)cc2F)CC1)N1CCCC1 188932318 UHWXMGDOBIERQR-UHFFFAOYSA-N 324.827 3.314 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2cc(-c3ccccc3)cn2)nc1 227165926 RCJKLSMSLUJNSV-CQSZACIVSA-N 306.369 3.453 0 40 DGAB Cc1ncsc1CNC(=O)N[C@H](C)[C@@H](C)c1ccccc1 83214549 JXGNYJTZCJVNOD-VXGBXAGGSA-N 303.431 3.443 0 40 DGAB C[C@@H]1CCCN(CCCCNC(=O)/C=C/c2ccccc2)C1 40108162 NNVJUKVKNOTNSW-FMQWLBJXSA-N 300.446 3.328 0 40 DGAB O=Cc1ccc2c(c1)CCN2CCCOC(=O)c1ccccc1 82048436 ZPHWAEQEFHGYNT-UHFFFAOYSA-N 309.365 3.109 0 40 DGAB Cc1ccc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)nc1 96192504 YRKVPXQMZNIMSF-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)C(=O)/C=C/c1cccnc1 96431593 BNIHQOKYANKLEH-AUECHBEKSA-N 310.397 3.193 0 40 DGAB CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2cccnc2)c1 96407255 USEKRHYPWRZFDM-QFIPXVFZSA-N 316.426 3.381 0 40 DGAB Cc1ccc(-c2noc(-c3nc(-c4ccncc4)no3)n2)cc1 98212380 ZXYMTPKCFTUORG-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB CCS(=O)(=O)c1snnc1-c1ccc(Cl)cc1Cl 96525443 SUEUJQASJDLOLT-UHFFFAOYSA-N 323.226 3.306 0 40 DGAB C[C@H](NC(=O)N1CC[C@H]2Cc3ncccc3[C@@H]21)c1ccccc1 96194151 YDFQLOVWWOJZIC-DHSIGJKJSA-N 307.397 3.472 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](c3[nH]ncc3C)C2)c[nH]1 257321577 WCFJEBNAVGAOOI-CQSZACIVSA-N 301.438 3.163 0 40 DGAB O=C(c1cccnc1)N1CCCC[C@@H]2N[C@H](c3ccccc3)C[C@H]21 257278578 OCVBDKPOOOQKJW-GBESFXJTSA-N 321.424 3.180 0 40 DGAB CC(C)c1c(C(=O)N2CCC[C@H]3C[C@@H]32)cnn1-c1ccccn1 585082210 DLLUDVJXTXPMLC-ZFWWWQNUSA-N 310.401 3.015 0 40 DGAB CCS[C@H]1CCCCN(C(=O)CCCCC[C@H](C)O)C1 585131634 BFDFAOBWXTXKQM-GJZGRUSLSA-N 301.496 3.452 0 40 DGAB O=C(O)C[C@H](CC(=O)NCCc1cccs1)c1cccs1 90607318 MBRFSDVGYDZIJJ-NSHDSACASA-N 323.439 3.117 0 40 DGAB CO[C@@](C)(CNC(=O)Cc1ccc(F)cc1)c1ccccc1F 96123454 CVDSZOAEGYBGJX-SFHVURJKSA-N 319.351 3.185 0 40 DGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCC2(CC1)CC2(F)F 652845105 IULITJJAAXPUQO-UHFFFAOYSA-N 323.368 3.400 0 40 DGAB Cc1nccn1CCCC(=O)N1CC[C@H](c2cccc(F)c2)C1 69918342 RWDFNYZNNVOSAF-INIZCTEOSA-N 315.392 3.127 0 40 DGAB CN1CC(=O)[C@@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O 100038171 LAXTYFZLKJOGDP-MRXNPFEDSA-N 315.756 3.257 0 40 DGAB in-vitro CCS[C@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 101273778 CLEJLJGWKIALHF-JTQLQIEISA-N 304.198 3.378 0 40 DGAB CCCc1nnc(NC(=O)CNc2ccc(C)cc2C)s1 5608526 MBZZWGHUUOMLFT-UHFFFAOYSA-N 304.419 3.158 0 40 DGAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccc(Cl)cc1 5755466 ZSSVWAGBWGLFNJ-SNVBAGLBSA-N 319.744 3.230 0 40 DGAB COc1c(Cl)ccc(Cl)c1C(=O)Nc1nnc(C)s1 5756541 OFMSHQVPANLFML-UHFFFAOYSA-N 318.185 3.414 0 40 DGAB CCOc1ccc([C@H](C)NS(=O)(=O)c2ccccc2)cc1 14229313 QJQKDLLADWEVLV-ZDUSSCGKSA-N 305.399 3.125 0 40 DGAB CCc1nc2ccc(C(=O)NCc3ccco3)cc2nc1CC 3033912 YVDUMXXZEQDFLM-UHFFFAOYSA-N 309.369 3.278 0 40 DGAB Cc1noc(-c2cncnc2NCc2ccccc2Cl)n1 240067818 SCYFINYNSZWMDH-UHFFFAOYSA-N 301.737 3.101 0 40 DGAB c1nc2ccsc2c(=NCc2ccc(-c3ccoc3)nc2)[nH]1 2087155494 KCJVFLYLQSYLCG-UHFFFAOYSA-N 308.366 3.380 0 40 DGAB Cc1ccccc1CSC1=NCCN1C(=O)c1ccco1 4120046 HVQFYJVOXBXDQT-UHFFFAOYSA-N 300.383 3.333 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1F 5154030 QFEDUXSXSKKMCM-UHFFFAOYSA-N 324.355 3.303 0 40 DGAB Cc1ccc(CN2CCC(CNC(=O)C[C@H]3C=CCC3)CC2)o1 584897619 PPMJEBGIFKWQJA-INIZCTEOSA-N 316.445 3.273 0 40 DGAB FC(F)(F)c1cc(N2CC(COc3cccnc3)C2)ccn1 2298187275 GNKIPTLESWRMEA-UHFFFAOYSA-N 309.291 3.011 0 40 DGAB Cc1cc(N2CCC[C@@H]2c2ccc3c(c2)OCCO3)nc(C)n1 40051205 GERXPFZWQQDSRU-OAHLLOKOSA-N 311.385 3.206 0 40 DGAB Cc1ccc2c(CC(=O)NC[C@@H](C(C)C)N(C)C)coc2c1C 30610646 RTJZATGMHNVSRM-KRWDZBQOSA-N 316.445 3.295 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccc(Cl)cc2)Cc2ccccc21 107366 RPFDBBIEIYYIBH-CQSZACIVSA-N 301.729 3.060 0 40 DGAB O=C(CCNC(=O)C1CCCC1)Nc1cc(Cl)ccc1F 40516126 IWESHGDLIYTICW-UHFFFAOYSA-N 312.772 3.114 0 40 DGAB COc1ccccc1[C@H](O)CNC(=O)Nc1cc(C)cc(C)c1 40525958 YZFRTOXTXHOLAI-MRXNPFEDSA-N 314.385 3.167 0 40 DGAB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 354247 XKSSAJDZUIRIGX-INIZCTEOSA-N 316.401 3.294 0 40 DGAB CN(Cc1ccc(Cl)s1)C(=O)Cn1cnc2ccccc21 32671931 VKPZRZWCJBITKP-UHFFFAOYSA-N 319.817 3.410 0 40 DGAB CCCCN1C(=O)N[C@H](c2cccs2)C(C(=O)OC)=C1C 32812522 LQWXJZINFOUVNH-CYBMUJFWSA-N 308.403 3.062 0 40 DGAB Cc1nc(-c2ccc(NC(=O)[C@H]3CCCN(C)C3)cc2)oc1C 6500433 JEJGRYBUIYRIMA-HNNXBMFYSA-N 313.401 3.239 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 6903613 HWRKWCQYNPHHBN-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB Cc1c(Cl)cccc1NC(=O)Cn1nnc2ccccc21 6998920 SVJXPMQQZRLGPC-UHFFFAOYSA-N 300.749 3.032 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@@H](C)OCC(F)(F)F 32924221 PDIIWXNHJBVLDG-GHMZBOCLSA-N 319.323 3.148 0 40 DGAB Cc1c(C(=O)NC2CCCCC2)cnn1-c1ccccc1F 32902999 BVIXRRDRJNUUCU-UHFFFAOYSA-N 301.365 3.382 0 40 DGAB Cc1cc(C(C)(C)C)ccc1OC(=O)Cn1c(C)csc1=O 22559432 DTPIFLHFKFMXQQ-UHFFFAOYSA-N 319.426 3.430 0 40 DGAB Cc1cccc(CNC(=O)COC(=O)c2ccccc2Cl)c1 51356192 CNZOIUOTPXEKDK-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Cc1nn2c3c(nnc2c1-c1ccccc1)C(=O)c1ccccc1-3 9939234 BXSICURFORFEBA-UHFFFAOYSA-N 312.332 3.311 0 40 DGAB CC(C)C(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 998947 QQVOAMNHRLMQIZ-UHFFFAOYSA-N 300.324 3.010 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@@H](C)[C@H]3C[C@H]4CC[C@H]3C4)cc12 104819304 DWFMIKZYBZZVCM-XYJRDEOASA-N 317.458 3.498 0 40 DGAB Cc1ccccc1S(=O)(=O)c1c(C)cc(C)n(C(C)C)c1=O 1397545 VMBQNRFBFZYWDC-UHFFFAOYSA-N 319.426 3.187 0 40 DGAB C[C@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCC2 53698350 VBYKEAPJXBEMQH-NSHDSACASA-N 307.440 3.276 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)c1cc(Cl)c2c(c1)OCCO2 25012601 IZKJYGMVICEKIG-GWCFXTLKSA-N 309.793 3.420 0 40 DGAB COc1ccccc1NC(=O)c1cncc(Br)c1 1507748 QHEBFNGXGQDGIQ-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB Cn1cc(CCC(=O)NC2(c3ccc(Cl)cc3)CCC2)cn1 56379154 DNTYYINOGMZREA-UHFFFAOYSA-N 317.820 3.202 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3n2C)no1 57358228 BDUAZYUMVREILM-MRXNPFEDSA-N 324.384 3.237 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccccc2C)cc1 51356347 MRTYYAKRLOIPAQ-HNNXBMFYSA-N 311.381 3.338 0 40 DGAB Cc1ccccc1CS(=O)(=O)NCCCc1ccccc1 10110358 SIBJPGUSGHYKOD-UHFFFAOYSA-N 303.427 3.047 0 40 DGAB C[C@@H](SCc1ccccc1)C(=O)NCCCN1CCCCC1 10277010 VZEFCKAEZOCDLA-MRXNPFEDSA-N 320.502 3.301 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2cccc(F)c2)no1 58342465 UEUDGEHEBCFCKA-UHFFFAOYSA-N 305.353 3.171 0 40 DGAB CCc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)o1 306127823 GINCXPHHCIKKKH-RBUKOAKNSA-N 311.429 3.086 0 40 DGAB FC(F)(F)c1cc(N2CCNCC2)c2cccc(Cl)c2n1 2243385 GYLMHFWBDILTEA-UHFFFAOYSA-N 315.726 3.317 0 40 DGAB CCC[C@@H](C)NC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 12793583 RMHFWTIVRJIVIU-LLVKDONJSA-N 302.422 3.319 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccsc1 69928419 IBLDNLKYZPTINU-CVEARBPZSA-N 306.475 3.156 0 40 DGAB Cc1nc(C(=O)NCc2ccccn2)c(-c2ccccc2)s1 62630405 NVGTZUWVGAFMML-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cc3c(s2)CCC3)c1 13137572 HAYSDHLJOCJMRV-UHFFFAOYSA-N 300.383 3.448 0 40 DGAB COCCOc1cc(NC(=O)N[C@@H]2CCC[C@H]2C)ccc1OC 69591316 JRGVQYQGYRCRBJ-TZMCWYRMSA-N 322.405 3.031 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(CNC(=O)OC(C)(C)C)c1 69583931 CSDATQFJVZTOHK-RISCZKNCSA-N 304.390 3.306 0 40 DGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)NCC(F)(F)F 65488978 ZSGUEFFNPWUBSF-SECBINFHSA-N 311.307 3.359 0 40 DGAB COc1cccc(N2CC[C@H](CNC(=O)C3CCCCC3)C2)c1 69531425 OKDWZUAHNMLOPB-OAHLLOKOSA-N 316.445 3.218 0 40 DGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2c[nH]cc2C)c1 65529470 YHRLQOVQBDZMQD-MRXNPFEDSA-N 314.385 3.318 0 40 DGAB Cc1nnc(CSc2nc(C3CC3)n(-c3ccccc3)n2)o1 6549482 KPMQFSAYXFLPPU-UHFFFAOYSA-N 313.386 3.128 0 40 DGAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 20038078 RRBXHXKCKGIVEE-CYBMUJFWSA-N 317.360 3.308 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cccc(F)c1 5632778 ZHDPSLFITBGARB-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB O=C(NCCc1ccc(C(F)(F)F)cc1)c1ccc(O)cc1 9155807 YQJWOFJZUHTRMN-UHFFFAOYSA-N 309.287 3.384 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1C 8883668 XVKDQDWKLUNCAI-LLVKDONJSA-N 316.323 3.249 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)c1 71185786 CSHKFRSQERZPRH-CQSZACIVSA-N 315.442 3.219 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccn(-c3ccccc3)n2)c1 72269875 WUIGYUREZGSYMW-HOTGVXAUSA-N 309.417 3.117 0 40 DGAB C[C@@H](NC(=O)C(=O)Nc1cccc2ncccc12)c1ccccc1 9341318 MLBNAERUZNMVST-CYBMUJFWSA-N 319.364 3.051 0 40 DGAB Cc1cccc(-c2nnc([C@@H](C)Nc3cccc(C(N)=O)c3)o2)c1 9607446 UAQFUPDQHJQVQX-GFCCVEGCSA-N 322.368 3.317 0 40 DGAB CS[C@@H]1CCCCN(CCC(=O)Nc2ccccc2F)C1 83990523 MZVUXAZMQXKLIO-CYBMUJFWSA-N 310.438 3.372 0 40 DGAB CC[C@@H]1C[C@H](C(=O)Nc2ccc(-c3ncccn3)cc2)CCO1 97235974 ZDHVAGVSVTZCJB-GDBMZVCRSA-N 311.385 3.287 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3C)C2)n1 97378625 VVGDZRTZBPSSRP-MRXNPFEDSA-N 311.385 3.304 0 40 DGAB CC[C@@](C)(NCc1nc(-c2ccco2)no1)c1nccs1 72683550 XIGNQIYXKXETGK-CQSZACIVSA-N 304.375 3.201 0 40 DGAB COc1ccc([C@@H](C)NC[C@](C)(O)c2cccs2)c(OC)c1 95422994 FUJLKBRMWQBHGC-PXAZEXFGSA-N 321.442 3.324 0 40 DGAB COc1ccc(Cn2ncc(Cl)c(Cl)c2=O)cc1Cl 95435761 PMHKGSCVQMWNKR-UHFFFAOYSA-N 319.575 3.260 0 40 DGAB COCCn1cc(NCc2cccc(OC(F)(F)F)c2)cn1 89420283 YCNGGXPAIRXSGG-UHFFFAOYSA-N 315.295 3.040 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)s1)c1ccc2cc[nH]c2c1 75272081 DTNMVZRVGXPHAD-LBPRGKRZSA-N 320.801 3.346 0 40 DGAB CC(=O)N1CC[C@@H](NCc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 89937491 IRLXNXHHBBZRNB-XHDPSFHLSA-N 314.351 3.052 0 40 DGAB COc1ccc(CNC(=O)c2cc(F)ccc2Cl)c(OC)c1 72331781 TWZYIUJDNZQPEO-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB CCCC(=O)N1CC[C@]2(Cc3ncc(-c4cccs4)n3C2)C1 306135533 OUDYHTXKGSHIHI-KRWDZBQOSA-N 315.442 3.187 0 40 DGAB Cc1nc(Nc2nnc(C)s2)cc([C@H]2CCCN2C(C)C)n1 72360158 WUKSFIKMVSXEGU-CYBMUJFWSA-N 318.450 3.234 0 40 DGAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cnn(C)c1 189494025 KJLJSOQFCYPYCZ-BLLLJJGKSA-N 305.809 3.036 0 40 DGAB O=C(O)c1cc(OCc2ccc(Br)cc2)ccc1O 216932158 DTLDGFQLUXASCT-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB CC(C)COC[C@H](C)NC(=O)N[C@@H](c1ccccn1)C(C)C 76954924 BTRKJYKMKFPRCU-GOEBONIOSA-N 307.438 3.139 0 40 DGAB C[C@@H](CC(=O)N(C)Cc1ccncc1)C(=O)c1cccc(F)c1 72847137 BQOPZZCKFPBHMC-ZDUSSCGKSA-N 314.360 3.088 0 40 DGAB O=C(c1c(F)ccc(O)c1F)N1CCC[C@H](c2ccncc2)C1 568564357 RYPGPAORLHHCIQ-LBPRGKRZSA-N 318.323 3.085 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)NCCOc1ccccc1 224417686 GPFLUFXHCBUWCD-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB COc1cccc(OCC(=O)NCCCc2ccc(C)cc2)c1 222790947 LTUILRAIVJOPTD-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1OC 85397449 LTASRYGBEWVHMM-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB Brc1cc(-n2cccc2)ccc1N1CCOCC1 226246061 PAQLRSWRRHSTOY-UHFFFAOYSA-N 307.191 3.076 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 96466488 ZXGGECWHZJIVMZ-CYBMUJFWSA-N 300.383 3.001 0 40 DGAB COc1ccc2c(c1)c(C(=O)Nc1ccn(C)n1)cn2C(C)C 95479188 XMDNVIPGJPSTIE-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB O[C@H](CN(Cc1ccccc1)c1ncccn1)c1ccsc1 96483176 FAKZHYLVFAGZJK-MRXNPFEDSA-N 311.410 3.278 0 40 DGAB O=C(c1ccccc1)N1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96046269 KUDCXWHEIARSSB-SOUVJXGZSA-N 314.410 3.135 0 40 DGAB c1cc(NC2CC3(CCN(Cc4ccsc4)C3)C2)ncn1 257329750 XLJOHPFUPLGROJ-UHFFFAOYSA-N 300.431 3.005 0 40 DGAB O=C1OC2(CCCCC2)CN1c1cc([C@H]2CCCNC2)ccn1 257263199 LOVXIFDQUHRPRB-HNNXBMFYSA-N 315.417 3.208 0 40 DGAB CC(=O)N1CCC(c2ccnc(-c3cccc(C(=O)O)c3)c2)CC1 257240539 HTZSYZFIMNZAOE-UHFFFAOYSA-N 324.380 3.173 0 40 DGAB CO[C@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1C 96105184 AMOVSBQOGAZHKH-QGZVFWFLSA-N 316.376 3.321 0 40 DGAB Cc1ccc(NC(=O)c2ncccc2OCc2ccncc2)nc1 69564217 IQJXXOTUNRPRRX-UHFFFAOYSA-N 320.352 3.011 0 40 DGAB CCn1c(CN(C)Cc2cc(C)on2)nc2c(F)cccc21 69590930 GSNJBZONVQSUBH-UHFFFAOYSA-N 302.353 3.124 0 40 DGAB Cc1ccc(NC(=O)COc2ccccc2C(=O)O)cc1Cl 13080152 ZSCPZYFWKGUVTQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB C(=C/c1ccco1)\CN1CCc2nnc(-c3ccccc3)n2CC1 14988649 OQVWZAODLBEJNN-XBXARRHUSA-N 320.396 3.110 0 40 DGAB O=C(NC1CCCC1)c1nnc(Cc2c(F)cccc2Cl)o1 16383775 MYNXMWQNKLCPKQ-UHFFFAOYSA-N 323.755 3.125 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Br)cc1Cl 169229936 FXAUMGSLRWIAOG-ZANVPECISA-N 318.642 3.006 0 40 DGAB C[C@H](Sc1ncc2ccccn12)C(=O)NCc1cccs1 26591801 CHTYCWXUROUIFM-NSHDSACASA-N 317.439 3.193 0 40 DGAB CC(C)N(CCNC1CCN(Cc2ccccc2)CC1)C(C)C 23424856 RWFKZASBHCMIOG-UHFFFAOYSA-N 317.521 3.359 0 40 DGAB OC[C@]12CCC[C@H]1CN(Cc1ccccc1Br)C2 626012304 ORKISOQVZKUUHV-DZGCQCFKSA-N 310.235 3.044 0 40 DGAB C[C@@]12C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]1[C@H]1C=C[C@@H]2C1 4474111 FHWOFFOJGYKRFW-XOUNRIGKSA-N 321.298 3.407 0 40 DGAB Cn1nc2c(c1NC(=O)Cc1cccc3ccccc13)CCC2 38510595 TWRXOFUYDVPYCY-UHFFFAOYSA-N 305.381 3.243 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccc(F)c(F)c1 25310540 QWUJZLHVTSRYDP-MRXNPFEDSA-N 318.323 3.178 0 40 DGAB Cc1ccc(CNC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 40058074 XRIWAWVTJHEPTG-UHFFFAOYSA-N 323.396 3.444 0 40 DGAB Cc1ccc(C2=N/C(=C/c3ccc4c(c3)OCO4)C(=O)O2)cc1 50847 CAJIIRLAOJBKJY-RIYZIHGNSA-N 307.305 3.068 0 40 DGAB Cn1cc([C@@H]2CC(=O)N(c3ccccc3)C2=O)c2ccccc21 100747749 OMOHNWSTCNNPQH-HNNXBMFYSA-N 304.349 3.225 0 40 DGAB biogenic COc1ccc(CNCc2cc(Br)cs2)cn1 20475159 DBQWDIFLJKETCU-UHFFFAOYSA-N 313.220 3.204 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)c2c(C)noc2C)cc1 8388681 NTZIBSRJBFIVRP-UHFFFAOYSA-N 315.373 3.026 0 40 DGAB Cc1ccccc1NC(=O)CSc1nc(C)c2c(n1)CCC2 581138 GISUVPKHPZIMIV-UHFFFAOYSA-N 313.426 3.313 0 40 DGAB O=C(NCCc1ccccn1)C1(c2cccc(Cl)c2)CC1 32657649 FZKNXEBUFWGRDX-UHFFFAOYSA-N 300.789 3.126 0 40 DGAB Cc1cccc(OCCSc2nc3c(c(=O)[nH]2)CCCC3)c1 11905542 FABHNAZKAZKENG-UHFFFAOYSA-N 316.426 3.128 0 40 DGAB CC(C)NC(=O)CCc1nc(-c2ccc(C(C)C)cc2)no1 32895283 LCEUGVJNYUPFRN-UHFFFAOYSA-N 301.390 3.317 0 40 DGAB C[C@H]1CC=CC[C@H]1C(=O)OCCOC(=O)[C@@H]1CC=CC[C@H]1C 4782996 LHLCITNAENHCAB-QKPAOTATSA-N 306.402 3.277 0 40 DGAB COC(=O)/C=C/c1c(C)nc(NCc2ccccc2)nc1Cl 4833940 QGDBZUYRPCIHRJ-CMDGGOBGSA-N 317.776 3.237 0 40 DGAB CCc1ccc([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678333 FZNKVXYWLZXRKA-IINYFYTJSA-N 301.415 3.444 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)c(C)c1 7213273 LANLOUWOOUGTNK-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB C[C@@H](c1cccnc1)N1CCN(Cc2ccnc(Cl)c2)CC1 76040313 HVTGXLDGCYWHRE-AWEZNQCLSA-N 316.836 3.009 0 40 DGAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)cc1C 69413754 DCECVRPJYMNNIB-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB COc1cccc2c1O[C@]1(C)C[C@@H]2NC(=O)N1Cc1ccccc1 101084862 GZJZKBOYJCADNT-HNAYVOBHSA-N 324.380 3.460 0 40 DGAB Cc1ccc(Nc2nc(NN)nc(Nc3ccc(C)cc3)n2)cc1 569578 WPHOHIBVODROFD-UHFFFAOYSA-N 321.388 3.261 0 40 DGAB C[C@]1(C(=O)Nc2cccc(Cl)c2)Cc2ccccc2C(=O)O1 534422 YOPMZWOJIUDTJO-QGZVFWFLSA-N 315.756 3.450 0 40 DGAB Nn1c(SCc2ccccc2F)nnc1-c1ccc(F)cc1 527342 VADJWMLWOJRAJW-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB O=c1cc(CN(Cc2ccco2)C2CCCC2)nc2ccccn12 53140278 XBVXJJXHRIALDA-UHFFFAOYSA-N 323.396 3.232 0 40 DGAB CNc1nc2c(s1)[C@@H](c1ccc(OC)c(O)c1)CC(O)=N2 61718605 SMCQFXHUTTWTKN-MRVPVSSYSA-N 305.359 3.023 0 40 DGAB Cc1csc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 105206245 RHAXHHTZOWWQJW-VOAKCMCISA-N 310.488 3.485 0 40 DGAB COc1ccc(CNC(=O)CCn2ccc3ccccc32)cc1O 54795471 CMOCMSNRJLIVKX-UHFFFAOYSA-N 324.380 3.062 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105697295 QUPRTTZFKZNIHY-BSXOQXRQSA-N 315.413 3.209 0 40 DGAB Cc1ncsc1CNC(=O)N[C@H]1CCCc2sccc21 97094839 VQSLDLYAEVUWGP-NSHDSACASA-N 307.444 3.390 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(C)cc1 24492571 COVWDZDONBADHD-CYBMUJFWSA-N 320.776 3.011 0 40 DGAB CCc1nccn1[C@@H]1CCCN(CCOc2cccc(C)c2)C1 106216964 MVGRJICQDGBWMJ-QGZVFWFLSA-N 313.445 3.470 0 40 DGAB CCNC(=O)CSc1nccn1-c1ccc(C(C)C)cc1 12538904 HBHOSPAZDYQRIF-UHFFFAOYSA-N 303.431 3.224 0 40 DGAB O=C(Cc1ccsc1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55944408 NKKHUSCFAZWKOK-RDJZCZTQSA-N 319.401 3.466 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1C[C@H]1CCCO1 12553305 XKKZNDLNGISTSS-CRAIPNDOSA-N 324.380 3.138 0 40 DGAB Cc1nc(CNC(=O)Nc2ccc3c(c2)CCCO3)sc1C 76069446 FQRUFPBTOAEJHA-UHFFFAOYSA-N 317.414 3.407 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N1c2ccccc2C[C@@H]1C 3247513 HILFFRZHVSAEJJ-LBPRGKRZSA-N 315.394 3.191 0 40 DGAB Cc1cc(NC(=O)N2CCC(n3c(C)ccc3C)CC2)n(C)n1 58160062 LPPHILAWDNEPNE-UHFFFAOYSA-N 315.421 3.016 0 40 DGAB Cc1nc(Cl)cc(Sc2nnc(N3CCCC3)s2)n1 60372306 GNOHIZDPWRUMCF-UHFFFAOYSA-N 313.839 3.041 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 76082170 HKLCMVBPAHBROC-DOTOQJQBSA-N 314.385 3.077 0 40 DGAB CCc1ccc([C@H]2C[C@H](C)CCN2CCCS(C)(=O)=O)o1 76145160 MRQVKNAMOWTNDE-UKRRQHHQSA-N 313.463 3.050 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 58203092 RXTRKGJRFWGIID-CYBMUJFWSA-N 317.410 3.317 0 40 DGAB Cc1nnc([C@H]2CCCN(C(=O)c3ccccc3F)C2)s1 23140588 BZIHFMOYSSZCNX-NSHDSACASA-N 305.378 3.005 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)no1 27880610 XMVZQCGMZVOXPP-HNNXBMFYSA-N 321.327 3.037 0 40 DGAB O=C(NO[C@@H]1CCCCO1)c1cc(-c2cccc(Cl)c2)on1 58427889 PJVNSQKCENMUJB-CQSZACIVSA-N 322.748 3.183 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NCc1cnc2[nH]nc(C)c2c1 48260461 NXQGUMLWFWERRK-SNVBAGLBSA-N 314.364 3.265 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)CCc2ccco2)cc1OC 48277181 SETSUBZYMSOVMU-LBPRGKRZSA-N 303.358 3.048 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1 3507295 KTHRBKMPDGHPJI-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1ccn(CCc2ccncc2)n1 69591933 MUDIVCFDVOXPLM-OWOJBTEDSA-N 324.409 3.234 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 6125527 OYCVZLJRWLWZNI-CABCVRRESA-N 301.386 3.417 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2cc3ccccc3o2)cc1 8744678 ZDINHEBCUOOCJY-UHFFFAOYSA-N 309.321 3.149 0 40 DGAB COc1cc(NC(=O)Cc2cn(C)c3ccccc23)cc(OC)c1 65512804 JRAQEPIZLLWCJV-UHFFFAOYSA-N 324.380 3.377 0 40 DGAB COc1cc(CCC(=O)N2CCc3ccccc32)cc(OC)c1 14181788 PEMCMUSKIKFKPC-UHFFFAOYSA-N 311.381 3.226 0 40 DGAB O=c1c(Cl)c(Cl)cnn1Cc1ncc(-c2ccccc2)o1 6602143 TULYMPUSCPXQGR-UHFFFAOYSA-N 322.151 3.253 0 40 DGAB O=C(NO)c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 6623319 OJAWFTYBAFFQJU-UHFFFAOYSA-N 313.744 3.312 0 40 DGAB CC(=O)c1ccc(OC[C@@H](O)CNCCC2=CCCCC2)cc1 6905887 KVSQRSLXIRPNBT-SFHVURJKSA-N 317.429 3.109 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2cccc(F)c2)c1 9053725 YODVSIAZSUBVHR-MDZDMXLPSA-N 312.344 3.227 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(C)C 7285435 NXVCXIWIIZSPOF-LJQANCHMSA-N 322.408 3.357 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCc1cc(C)on1 67607981 VBWYZFNATANPJM-ZDUSSCGKSA-N 305.403 3.264 0 40 DGAB Cc1cnn(CCC(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 72273870 AXRBGRUPNYTFBR-AWEZNQCLSA-N 318.446 3.100 0 40 DGAB Cc1cc(NC(=O)CS[C@@H](C)c2ccc(F)cc2)n(C)n1 68729566 DDYKRBQIVHFWIR-NSHDSACASA-N 307.394 3.301 0 40 DGAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1c(F)cccc1F 8267410 GTBPFHSIVJWROH-QWHCGFSZSA-N 308.372 3.415 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)CCCc2cccs2)c1 70009489 HZFPYRMWMXXYBG-HNNXBMFYSA-N 317.458 3.267 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N2CCC[C@H]2C(C)(C)O)cc1F 97114687 HKKZLMGUYQMPAW-WFASDCNBSA-N 308.397 3.140 0 40 DGAB Cc1ccccc1C1(CNC(=O)CC[S@@](C)=O)CCCCC1 96486565 CDVIAGVABSQFQK-QFIPXVFZSA-N 321.486 3.082 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(C)c(C)c2)c1 72331187 INYVRPKFBFRZBJ-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB Cc1ccc(CNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2)cn1 71884156 BALCHZHXGAPDAZ-JKSUJKDBSA-N 300.789 3.463 0 40 DGAB CCC[C@H]1C[C@H](C(=O)N(C)Cc2cccc(OC)c2)CCO1 96500009 WTWUEWBGXUSYNV-WBVHZDCISA-N 305.418 3.249 0 40 DGAB CC[C@@H](C)n1nccc1NC(=O)c1cc(Cl)nc(N(C)C)c1 71903320 VIXIHJPOZPUIHX-SNVBAGLBSA-N 321.812 3.221 0 40 DGAB O=C(CNC(=O)c1ccc2ccccc2c1)Nc1ccsc1 95401016 SPHNQZAYIAKCQM-UHFFFAOYSA-N 310.378 3.270 0 40 DGAB C[S@](=O)C[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 79015863 GUTGDWDGXCSOHH-IVZQSRNASA-N 320.389 3.067 0 40 DGAB Cc1cccc(-c2cc(NC(=O)CCCn3ccnc3)[nH]n2)c1C 95961111 HHTAHLBGQINOOH-UHFFFAOYSA-N 323.400 3.309 0 40 DGAB Cc1ncc([C@H](C)N[C@@H](C)COc2ccc(F)cc2)c(C)n1 95967389 NWGROKZJMITEEY-RYUDHWBXSA-N 303.381 3.351 0 40 DGAB OC[C@H]1C=C[C@@H](Nc2nc(-c3cccnc3)nc3ccccc23)C1 95963395 PQPQZKICLYUJFT-DZGCQCFKSA-N 318.380 3.041 0 40 DGAB CCS[C@@H]1CC[C@@H](NCc2cn(C)nc2-c2cccnc2)C1 95990119 YIZKPLWZCDNGCI-HZPDHXFCSA-N 316.474 3.246 0 40 DGAB CS[C@H](C)CNC(=O)C[C@@H](O)c1cc(Cl)cc(Cl)c1 89340944 PLBFDBSTNIYPHQ-PRHODGIISA-N 322.257 3.285 0 40 DGAB COCCn1cc(NCc2cnc(-c3cccs3)s2)cn1 89420285 RCCMHSQXZRMNQU-UHFFFAOYSA-N 320.443 3.327 0 40 DGAB Cc1cnc([C@H](NC(=O)[C@H](C)c2c(C)noc2C)C2CC2)s1 75147758 OFXODUAZERJZRT-YMTOWFKASA-N 319.430 3.427 0 40 DGAB O=C(CSc1ccccc1)NCCSCc1ccco1 24606008 RROOPOFXNYDZIC-UHFFFAOYSA-N 307.440 3.421 0 40 DGAB COc1ccccc1[C@@H](NCc1ccsc1)c1nccn1C 42205172 VMICDVBXWTVENQ-MRXNPFEDSA-N 313.426 3.369 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)c1 35313374 VIANHLFXZXQKLN-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CC(C)Cc1cc(C(=O)N[C@@H](CO)C(C)C)c2ccccc2n1 504433765 MAVZNMDSEBGBPB-SFHVURJKSA-N 314.429 3.180 0 40 DGAB biogenic Cc1nc2ccc(C(=O)N(CCO)c3ccccc3)cc2s1 409189667 MPYOJWPFUAPCLI-UHFFFAOYSA-N 312.394 3.244 0 40 DGAB COC(=O)Nc1cccc(C(=O)OCCc2scnc2C)c1 78442150 YUKRSBIMLGQISE-UHFFFAOYSA-N 320.370 3.029 0 40 DGAB O=C(COc1ccccc1)NC[C@@H](O)c1cccc2ccccc12 70635953 MIHMDSKJMMCLQQ-LJQANCHMSA-N 321.376 3.068 0 40 DGAB CC(=O)CSc1nnc2c3ccccc3nc(C(C)C)n12 35314729 NOFAORKUZZUQKW-UHFFFAOYSA-N 300.387 3.082 0 40 DGAB COCc1cc(C(=O)N2CC(C)(C)c3c(Cl)cccc32)no1 79812453 JGLKQPQSXRQUCX-UHFFFAOYSA-N 320.776 3.412 0 40 DGAB COc1cc(CNC[C@@H]2CCCO2)ccc1OC1CCCC1 32202088 DXTAZDHFELFANZ-INIZCTEOSA-N 305.418 3.285 0 40 DGAB COCCc1ccc2oc(NCc3csc(C)n3)nc2c1 181869340 VDBUDVULLCRWEA-UHFFFAOYSA-N 303.387 3.394 0 40 DGAB CC[C@H](Cc1ccccc1C)C(=O)N[C@@H](CC(C)C)C(=O)O 1573808389 CNXQRTKLRGTWFA-ZBFHGGJFSA-N 305.418 3.179 0 40 DGAB CC(=O)N1CCC(Cc2cccc(Nc3ccccn3)n2)CC1 72355021 NJBAWUWUTPHWFL-UHFFFAOYSA-N 310.401 3.021 0 40 DGAB C[C@@H]1CCCN(CCCNC(=S)Nc2ccc(F)cc2)C1 225735967 UTRFZNGOVMJCFQ-CYBMUJFWSA-N 309.454 3.234 0 40 DGAB CC(C)c1nc(CSc2n[nH]c(Cc3ccccc3)n2)no1 194607023 AQYVGHGFKPXOPI-UHFFFAOYSA-N 315.402 3.194 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1cccs1 225604046 CTUFMENOGBZKQZ-LLVKDONJSA-N 302.399 3.436 0 40 DGAB CCc1cnccc1CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC 570496888 ZMCBEHVQYWKDCF-DLBZAZTESA-N 310.397 3.073 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3cccc(Br)c3)=NN[C@@H]2C1 228937340 ZVKCVZVHVAKIBP-DGCLKSJQSA-N 321.218 3.130 0 40 DGAB COCc1cc(C(=O)Nc2cccc(C(C)=O)c2)ccc1OC 224399730 INXVPYGARNDCSG-UHFFFAOYSA-N 313.353 3.297 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cccc(N)c2)C1 228910614 AWZWPGOCHWPHNV-ZDUSSCGKSA-N 305.422 3.010 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](CCCCc1ccccc1)C(=O)O 135788219 FOYWIHNYTBRBBB-AWEZNQCLSA-N 307.390 3.377 0 40 DGAB CCc1cccc(N[C@@H](C)C(=O)NCc2ccc(OC)cc2)c1 48301286 MIXZOCOGGOBABA-AWEZNQCLSA-N 312.413 3.374 0 40 DGAB Fc1ccc2c(c1)OCCC[C@@H]2NCCCOC1CCOCC1 195557713 QXELPWCEMBJMRX-KRWDZBQOSA-N 323.408 3.215 0 40 DGAB CCc1ccc(C(=O)NCc2nccn2CCc2ccccc2)o1 81930989 QNJKKMWZUFQCFJ-UHFFFAOYSA-N 323.396 3.211 0 40 DGAB C[C@@]1(C(=O)NCc2ccc(F)cc2)CC(c2ccccc2)=NO1 96192577 XYBATUNHTJHTIZ-SFHVURJKSA-N 312.344 3.025 0 40 DGAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1ccc(C)cc1)C2 96077030 ATYYUFCXWZUQFO-LJQANCHMSA-N 314.429 3.002 0 40 DGAB C[C@@H](CC(=O)c1ccco1)NC(=O)CSc1ccccc1 96469119 OZPBSSDQBJUGQW-LBPRGKRZSA-N 303.383 3.149 0 40 DGAB O=C(CCc1nc(C2CC2)no1)N1CCC2(CCCC2)CC1 97212584 PLMQHWPNDIZODW-UHFFFAOYSA-N 303.406 3.062 0 40 DGAB Cc1nc(CCCC(=O)Nc2[nH]nc(C3CC3)c2C)cs1 96455632 CHALPPQSUZCBKG-UHFFFAOYSA-N 304.419 3.322 0 40 DGAB C[C@H]1CN(Cc2nnsc2Cl)C[C@H](c2ccccc2)O1 49068783 JQCURCSBNMMHCD-GXFFZTMASA-N 309.822 3.154 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 583614651 OELNESRRSCFFDD-GDBMZVCRSA-N 315.344 3.244 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)NCc2ccc(Cl)nc2)C1 96439130 YPKMUVKSYXJIGT-NWDGAFQWSA-N 313.854 3.208 0 40 DGAB Cc1csc([C@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n1 96046090 RCTVXVYCMJRVBT-NWANDNLSSA-N 319.430 3.100 0 40 DGAB O=C(C1CC=CC1)N1CCc2ncnc(-c3ccccc3)c2CC1 96255377 AYKQESUACXJMFT-UHFFFAOYSA-N 319.408 3.037 0 40 DGAB C[C@H](CC(=O)c1ccccc1F)C(=O)N1CCc2cnccc21 96431128 RDFXCHMGUCFGHR-GFCCVEGCSA-N 312.344 3.019 0 40 DGAB C[C@@H]1CC[C@@H](NCc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C 252585135 GKHHNHMTTRLLJF-CKEIUWERSA-N 309.475 3.146 0 40 DGAB Cn1cc(CN2CCC[C@@H](c3cnccn3)C2)c2cc(F)ccc21 257227303 FOPRZTJUQSNVAU-CQSZACIVSA-N 324.403 3.487 0 40 DGAB O=S(=O)(O)CCCC1c2ccccc2Cc2ccccc21 584578828 PEDQROFPUPSRSS-UHFFFAOYSA-N 302.395 3.391 0 40 DGAB O=C(O)CN(Cc1ccccc1)C(=O)c1cccc(Cl)c1 170310437 NLARXFITGWIGTP-UHFFFAOYSA-N 303.745 3.067 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1F 5251202 NMQRVOZICZSOAO-UHFFFAOYSA-N 304.365 3.079 0 40 DGAB COc1ccccc1OCC(=O)NC12CC3CC(CC(C3)C1)C2 5676474 PVZYKZMLBIQXCR-UHFFFAOYSA-N 315.413 3.159 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)c1ncnc2c1CCCC2 1888864211 QPYOELAHZDJPIL-UHFFFAOYSA-N 305.740 3.400 0 40 DGAB CC(C)c1nccn1CC1CN(c2nc3cnccc3s2)C1 2087139744 SQFNQUGZLWGGBT-UHFFFAOYSA-N 313.430 3.148 0 40 DGAB Cc1cc(C(=O)NCC[C@@H](O)c2cccc(Cl)c2)c(C)o1 225607571 RHCYFHCWIIVNJI-OAHLLOKOSA-N 307.777 3.403 0 40 DGAB Cc1cc(N2CCN(Cc3cccnc3)CC2)c2ccccc2n1 40047101 RUGKVTWUPUYPJS-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB C[C@H](CCc1ccco1)NC(=O)NCCc1cccc(F)c1 40067911 AWMFLZMILOEMFZ-CYBMUJFWSA-N 304.365 3.282 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cc(Cl)ccc1O 40159390 DTYKSCYNZQVRKE-UHFFFAOYSA-N 314.772 3.499 0 40 DGAB Cc1cc(NC(=O)c2csc(Cc3ccccc3)n2)n(C)n1 30876012 BNATZDYVHZVDFD-UHFFFAOYSA-N 312.398 3.028 0 40 DGAB CSc1nnc2c3c4c(sc3nc(C)n12)C[C@H](C)CC4 413747 XWNYFHUKBKKVNX-SSDOTTSWSA-N 304.444 3.494 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1 382704 UEJPQYQPLCAFDK-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB Cc1cc(OCC(=O)Nc2ccc(F)c(F)c2)nc(C(C)C)n1 2636208 QZTWVDABLHWVLS-UHFFFAOYSA-N 321.327 3.204 0 40 DGAB COC(=O)c1ccccc1NC(=O)Nc1cccc(OC)c1 1738045 MOXJJGWFIFFSDI-UHFFFAOYSA-N 300.314 3.126 0 40 DGAB CCn1nc(C)c2c(C(F)F)cc(-c3cnn(C)c3C)nc21 2732578 YWNYFWFZQBVARU-UHFFFAOYSA-N 305.332 3.406 0 40 DGAB Fc1ccc(NC(=S)NCCCN2CCCC2)cc1Cl 7026930 UTQIDLQQFPZWAU-UHFFFAOYSA-N 315.845 3.251 0 40 DGAB COc1ccc(Br)c(C(=O)NC(C2CC2)C2CC2)c1 22385321 FSAMRSPISMDNFL-UHFFFAOYSA-N 324.218 3.376 0 40 DGAB Cc1c(C(=O)N[C@H](Cc2ccccc2)c2ccccc2)cnn1C 58585643 ILNWQXDEEGHLFJ-LJQANCHMSA-N 319.408 3.442 0 40 DGAB Cc1noc(C)c1CCC(=O)NC12CC3CC(CC(C3)C1)C2 23118125 FKSWQORZQIVZIO-UHFFFAOYSA-N 302.418 3.309 0 40 DGAB Cc1ccc([C@H](CNc2nnc(C)s2)N2CCCC2)cc1 97002692 OQNBAKFEVFZDOU-HNNXBMFYSA-N 302.447 3.404 0 40 DGAB COc1cc(C)c(NC(=O)NCc2ccccc2)cc1OC 24965097 ISUHQLSBGMNHQO-UHFFFAOYSA-N 300.358 3.334 0 40 DGAB CCc1c(C)sc2nc(CC(=O)c3cccs3)[nH]c(=O)c12 55493422 FNLOYIPXEPSARJ-UHFFFAOYSA-N 318.423 3.342 0 40 DGAB CC(=O)Nc1nc2ccccc2n1CCOc1ccc(F)cc1 1408147 IVJSESAKQAESOO-UHFFFAOYSA-N 313.332 3.213 0 40 DGAB O=C(O)c1ccc(Br)cc1C(=O)c1ccccc1 1597751 ZHXJPZWBJBDDTE-UHFFFAOYSA-N 305.127 3.378 0 40 DGAB CC(=O)Nc1nc(CSc2ncc3ccccn23)cs1 26371034 BNXMRHAOAYDHMH-UHFFFAOYSA-N 304.400 3.042 0 40 DGAB O=C(Nc1ccc(O)cc1F)c1cccnc1C(F)(F)F 97098032 YXXCPHBBWNNDGE-UHFFFAOYSA-N 300.211 3.197 0 40 DGAB CS[C@@H]1CCC[C@H](NC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)C1 108351981 PFGCAHHLDIBNMX-ZMSDIMECSA-N 319.470 3.397 0 40 DGAB CC[C@H](C)OC(=O)CNCCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101030089 HRPHOCGNCCHABP-LUXYFRNMSA-N 311.466 3.149 0 40 DGAB c1ccc2oc(CCCN3CCC[C@H](c4ccn[nH]4)C3)nc2c1 72272647 MHHFXUQUQHYFOX-AWEZNQCLSA-N 310.401 3.363 0 40 DGAB COC(=O)C1(c2ccccc2)CCN(C(=O)c2ccccc2)CC1 48237804 WOZOAYDARMGPBE-UHFFFAOYSA-N 323.392 3.034 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)on1 48260961 QLKCKGDTEGHZJB-CYBMUJFWSA-N 319.430 3.469 0 40 DGAB Cc1csc(NC(=O)c2[nH]c3c(c2C)C(=O)CC(C)(C)C3)n1 58145055 NUBMKLDLCMVPKC-UHFFFAOYSA-N 317.414 3.495 0 40 DGAB CC(C)(C)OC(=O)NCCC(=O)N1CCC[C@H]1c1ccsc1 44940706 KYCOYUNLIBZEGA-ZDUSSCGKSA-N 324.446 3.326 0 40 DGAB C[C@H](O)CC(C)(C)CNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F 87424732 LZEMIJVIKNERCH-SRVKXCTJSA-N 309.372 3.268 0 40 DGAB CCCCc1nnc2sc(COc3ccc(OC)cc3)nn12 11278220 KFZMLTCJFTUOIX-UHFFFAOYSA-N 318.402 3.116 0 40 DGAB CCOc1ccc2nc(NC(=O)[C@H](C)n3cccn3)sc2c1 12849811 BKBVFQNHWLKBLF-JTQLQIEISA-N 316.386 3.091 0 40 DGAB CCOC(=O)CCCCCC(=O)c1c(OC)cccc1OC 2580435 PCOSUTUSRKXYMQ-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB Cc1ccc(-c2nc(CN[C@H](C)Cn3cccn3)cs2)o1 71879140 OJGDFDYREKEKCV-LLVKDONJSA-N 302.403 3.086 0 40 DGAB CCCCNCc1cccc(Oc2nnnn2-c2ccccc2)c1 13717626 HWXOYHHSHMCQCZ-UHFFFAOYSA-N 323.400 3.344 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc(Cl)s2)c1 14095210 WYJNERYXYZOZQZ-UHFFFAOYSA-N 308.790 3.404 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)N(C)[C@@H](C)CC(C)C)c1 65565692 BNAMULBAZPAZIE-ZDUSSCGKSA-N 321.421 3.170 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc(Cl)cc2)c1 9053774 KYJKJXYLNVACEH-UHFFFAOYSA-N 302.761 3.342 0 40 DGAB Cc1nc(NC(=O)N(Cc2cccc(O)c2)C2CC2)oc1C 65801765 MUQKTORRIJTNIB-UHFFFAOYSA-N 301.346 3.194 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)c(F)c1 5753988 LEWHBIZHIJYJKQ-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cccnc1SC 6847733 DKQSKNMBLUCHLU-LLVKDONJSA-N 302.399 3.303 0 40 DGAB Cc1cccn2cc(COc3ccccc3C(=O)N3CCC3)nc12 71804321 PREBVIQVYJOMDZ-UHFFFAOYSA-N 321.380 3.068 0 40 DGAB Cc1cc(C)c(CNC(=O)Cc2cccc3ccccc23)c(=O)[nH]1 7117939 JVJCQSGCJWWWKS-UHFFFAOYSA-N 320.392 3.004 0 40 DGAB CN(C)C(=O)c1ccc(N2CCSC3(CCCCC3)C2)nc1 80247421 PFUJOANSXIUMEV-UHFFFAOYSA-N 319.474 3.040 0 40 DGAB CCc1ccc(CN(C)[C@@H](C)C(=O)NCc2cccs2)cc1 16374001 CITATHCOBKLGTL-AWEZNQCLSA-N 316.470 3.447 0 40 DGAB O=C(NC1=NCCS1)c1ccccc1COc1ccccc1 7985338 PUFGUTYZFYHPEL-UHFFFAOYSA-N 312.394 3.098 0 40 DGAB O=C1CCc2cc(C(=O)Nc3ccc(F)cc3F)ccc2N1 9365705 UJKPNAJTWLXYAO-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)Cc1ccc(N2CCCC2=O)cc1 8140581 YZSURAFQNQHSNH-WMLDXEAASA-N 314.429 3.051 0 40 DGAB CC(C)(C)c1cc(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)O)no1 17055304 OVTSMGWRJLRZKQ-FEZLSPKCSA-N 320.389 3.048 0 40 DGAB Cc1ccc(NC(=O)Nc2ccn(CCc3ccccn3)n2)cc1 69568946 ILXNPZCOASZNEQ-UHFFFAOYSA-N 321.384 3.473 0 40 DGAB CCc1csc(NC(=O)Cc2nc(-c3ccco3)oc2C)n1 69663775 VUYJTMZQUIFSRO-UHFFFAOYSA-N 317.370 3.443 0 40 DGAB O=C(Nc1cnn(-c2ccccc2)c1)[C@@H]1COc2ccccc2C1 84576661 GHYXJNDITMQZAQ-HNNXBMFYSA-N 319.364 3.062 0 40 DGAB O=c1[nH]c(N2CCS[C@H](c3ccccc3)C2)nc2ccccc12 95433673 KAUZASJAPCXOPS-INIZCTEOSA-N 323.421 3.218 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)NC[C@@H]1C[C@]12CCc1ccccc12 88390710 DDXAWVLQVLTUOW-KBXCAEBGSA-N 310.401 3.052 0 40 DGAB Cc1noc(C)c1CN[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1 95990179 DAGXFAIXZLOGHE-GFCCVEGCSA-N 323.799 3.452 0 40 DGAB c1ccc(CCCO[C@@H]2CCN(Cc3cscn3)C2)cc1 79502872 UIRSKLAEJNTTQQ-QGZVFWFLSA-N 302.443 3.367 0 40 DGAB CCN(CC)CC(=O)Nc1c(C)ccc(Br)c1C 65735000 OWGUAZBPDHJLDX-UHFFFAOYSA-N 313.239 3.346 0 40 DGAB in-vitro C[C@@H](CC(=O)Nc1ccccc1-c1nnn[nH]1)CC(C)(C)C 68741320 JKVGKRVXPZYPQI-NSHDSACASA-N 301.394 3.268 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)COCc2ccccc2)CC1 78671254 DUSWOQGLBMWLGX-QGZVFWFLSA-N 305.418 3.011 0 40 DGAB OCc1ccc(-c2cccc(I)c2)o1 37715694 XLCVQWVTLIKIFG-UHFFFAOYSA-N 300.095 3.044 0 40 DGAB O=C(O)c1cn(C(=O)COc2ccccc2F)c2ccccc12 218742179 QSQCDMKMXITVSR-UHFFFAOYSA-N 313.284 3.198 0 40 DGAB C[C@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cncnc1 188755145 MDWBPIIPXSCBSY-LRDDRELGSA-N 303.793 3.092 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 41122244 VRJNPVCLAAZHDS-OAHLLOKOSA-N 305.422 3.445 0 40 DGAB Cc1ccc2nc(-c3cc(Br)c[n+](C)c3)oc2c1 226774719 IOKXPAPCLFCATR-UHFFFAOYSA-N 304.167 3.390 0 40 DGAB CC(C)(C)[C@@H]1OCC[C@H]1c1noc(CCc2nccs2)n1 564831733 PSDBQUSGNJBPTJ-ZWNOBZJWSA-N 307.419 3.230 0 40 DGAB O=C([C@H]1SCCc2sccc21)N1CCc2cnccc21 80363912 YUJLUMNTLKCJFX-AWEZNQCLSA-N 302.424 3.063 0 40 DGAB CCC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1OC 226287531 UUCKUNGRPUPZOD-UHFFFAOYSA-N 310.353 3.204 0 40 DGAB O=C(NCC1=CCCCC1)c1ccc(CN2CCCC2=O)cc1 224335516 MIKCWFRWDAHTDE-UHFFFAOYSA-N 312.413 3.039 0 40 DGAB C[C@@H](CC(=O)NCC(=O)c1ccco1)c1ccc(F)cc1F 195560091 AQEYYNXHTBZPDB-JTQLQIEISA-N 307.296 3.051 0 40 DGAB CC(C)N(C)C(=O)NC[C@H]1CCCC[C@@H]1OCC(F)(F)F 86402912 GQVAYLNDQAGFSP-NEPJUHHUSA-N 310.360 3.174 0 40 DGAB O=C(c1ccncc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 190265789 UOOOEAOUADWMBK-CYBMUJFWSA-N 302.324 3.380 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2ccc(C)cc2)c(C)c1 96658870 KOMFBGSCTWIRPM-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB C[C@H]1CNC(=O)N1c1cccc(NCc2cc(F)cc(F)c2)c1 97229849 OXDUCMLXWYTPRX-NSHDSACASA-N 317.339 3.495 0 40 DGAB Cc1csc([C@H]2C[C@H]3CN(Cc4cc(C)on4)CC[C@@H]3O2)n1 96045996 MRYWGYNPUQVWCI-AEGPPILISA-N 319.430 3.100 0 40 DGAB c1ccc(O[C@@H]2COC3(CCN(CC4CCC4)CC3)C2)cc1 96221854 FKOXXDVWEKCZPR-SFHVURJKSA-N 301.430 3.489 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H](CCN3Cc3nccs3)C2)o1 96249228 GXHKPNLWTZSUHT-ZBFHGGJFSA-N 317.458 3.141 0 40 DGAB COC(=O)/C(=C\c1cnc(-c2ccccn2)s1)c1ccncc1 98019003 QGAKBOKVGGTFCK-UVTDQMKNSA-N 323.377 3.314 0 40 DGAB CC[C@H](NC(=O)NCc1cccc(N(C)C)n1)c1cccs1 95438040 YLXSWCZXGMEQSQ-ZDUSSCGKSA-N 318.446 3.160 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 96431262 FHVRRWONLDPWQS-QFIPXVFZSA-N 312.394 3.017 0 40 DGAB Cc1cc(F)cc(NS(=O)(=O)c2cc(F)cc(F)c2)c1 95067985 CCWWSHNVAYHWRV-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CC(=O)Nc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cc1 248768772 XOCGMPVDFONCHQ-DUOKCRBOSA-N 314.429 3.253 0 40 DGAB CC1=NO[C@@H](CNCc2cc(Cl)ccc2OC(F)F)C1 585116842 JXJHUVUCDLTEKR-LLVKDONJSA-N 304.724 3.196 0 40 DGAB COc1ccc(CN2CCOC[C@H]2c2ccn[nH]2)c2ccccc12 257341201 ZJHKTYORGCKPHH-SFHVURJKSA-N 323.396 3.145 0 40 DGAB Cc1ncc(-c2ccc(C[C@@H]3CCCN(C(C)C)C3)cn2)n1C 257208864 BNVXCGBKYCPMJI-KRWDZBQOSA-N 312.461 3.453 0 40 DGAB CN(Cc1cnc([C@H]2CCCCO2)nc1)Cc1ccccc1F 257212006 CBNFNVHMOXPBNU-QGZVFWFLSA-N 315.392 3.489 0 40 DGAB CC1(C)OC[C@H]2C[C@@]21NC(=O)Nc1ccc(F)c(C2CC2)c1 529094209 CTKADJJWKCMQRU-PIGZYNQJSA-N 304.365 3.392 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257319427 VSLZRIQOLGICNZ-QGZVFWFLSA-N 309.413 3.227 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N2C[C@H](C)c3ccccc32)cc1 71977045 XHPQWZPNUJFHJS-LBPRGKRZSA-N 315.394 3.202 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2cc(C(C)=O)c[nH]2)C12CCCC2 71920836 AEWQAJCYFQEGCK-HZPDHXFCSA-N 318.417 3.027 0 40 DGAB CN(CCc1ccccn1)C(=O)[C@@H]1C[C@H]1c1ccc(F)cc1F 71903847 KKPYVMJAJSGCNJ-JKSUJKDBSA-N 316.351 3.164 0 40 DGAB CCCN(C)CC(=O)N[C@H](Cc1ccccc1)c1ccccc1 1587100 BLPLYMRLMNRFQY-LJQANCHMSA-N 310.441 3.428 0 40 DGAB CCc1ccc(C(=O)N(CC(F)(F)F)[C@@H]2CCCOC2)o1 87390936 GHCFEBGGAILUFF-SNVBAGLBSA-N 305.296 3.026 0 40 DGAB CN(C(=O)c1cc(F)c(F)c(O)c1F)c1ccc2c(c1)CCO2 97374924 BVDMELHFKFOMQK-UHFFFAOYSA-N 323.270 3.021 0 40 DGAB O=C(NCc1cc(C2CC2)ncn1)c1ccccc1C(F)(F)F 585360366 GZPYQKWOOGXDSJ-UHFFFAOYSA-N 321.302 3.303 0 40 DGAB CC(C)(C)c1cnc(CNc2ncc(Br)cn2)o1 96446563 LUPIQLBERVWEIT-UHFFFAOYSA-N 311.183 3.137 0 40 DGAB COc1ccc2cc(C(=O)c3ccccc3OC)c(=O)oc2c1 952963675 XGHVGWVXZVTDNF-UHFFFAOYSA-N 310.305 3.041 0 40 DGAB CC(C)CC(=O)Nc1ccc(I)cc1 2741297 WOJOXPHEWRXGLO-UHFFFAOYSA-N 303.143 3.276 0 40 DGAB Cc1ccsc1CN(Cc1nc2ccccc2[nH]1)C[C@@H](C)O 12143701 NUGSTOWWQBHDMZ-CYBMUJFWSA-N 315.442 3.316 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2cccc(C)c2OC)c1 14291395 BMIFCNBYRYQFML-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB Cc1cccc(CN2CCC(c3cc4ncc(C)nc4[nH]3)CC2)n1 19236178 BUCNTQDTIFFRSD-UHFFFAOYSA-N 321.428 3.349 0 40 DGAB O=C(O)c1ccccc1C(=O)c1ccccc1Br 5583891 YUQRAEMCBGNKQT-UHFFFAOYSA-N 305.127 3.378 0 40 DGAB Cc1csc(CCCC(=O)N[C@@H](C(C)C)C2(CO)CCC2)n1 572325533 HXCHWAJPBSDRSI-INIZCTEOSA-N 324.490 3.078 0 40 DGAB Cc1nc(NCc2cnccn2)c2c3c(sc2n1)CCCC3 1889139070 PPHYFALUECPZPD-UHFFFAOYSA-N 311.414 3.281 0 40 DGAB Cn1nccc1C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 2749178 WMQDGRVBJZKRSL-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccncc1 38753097 IHNDNSPEWABGEK-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB O=C(NC[C@H](c1ccco1)n1cccn1)c1ccc(Cl)s1 575612815 CIVIDCNEHOXNAY-SNVBAGLBSA-N 321.789 3.210 0 40 DGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCCc1ccccc1 35272142 HDYDVBNNYDZQQR-UHFFFAOYSA-N 323.371 3.199 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)NC(=O)c2cccs2)c1C 20400065 ANSAIQXCNISNCF-LBPRGKRZSA-N 302.399 3.122 0 40 DGAB CC(C)Oc1ccc(CNCCN[C@@H]2CCOC(C)(C)C2)cc1 20760480 FXXHGDDOKWKSIH-QGZVFWFLSA-N 320.477 3.111 0 40 DGAB biogenic CCN(CCc1ccccc1)Cc1nc(-c2cccnc2)no1 51924284 PEEHEEOFCGPXBD-UHFFFAOYSA-N 308.385 3.196 0 40 DGAB CCc1cc2c(N3CCN(CCC(C)C)CC3)ncnc2s1 83820546 IGMDUSLTWFKPDV-UHFFFAOYSA-N 318.490 3.422 0 40 DGAB Fc1cc(CCNc2nc3ccccc3o2)c2c(c1)COCO2 52049112 XVYUBGYGFVRJSJ-UHFFFAOYSA-N 314.316 3.488 0 40 DGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1csnn1 11915375 DBXSITCGQPXRCZ-UHFFFAOYSA-N 307.684 3.463 0 40 DGAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 4525588 ICZSHQHXDHAXIS-VFZGTOFNSA-N 314.410 3.433 0 40 DGAB O=S(=O)(Cc1ncc(-c2ccccc2)o1)c1cccc(F)c1 97013267 IJYBOPJNSQCEFS-UHFFFAOYSA-N 317.341 3.455 0 40 DGAB COc1ccc(C(=O)[C@@H](CN(C)C)c2ccc(OC)cc2)cc1 6437114 GZANJSHFALBLSZ-SFHVURJKSA-N 313.397 3.232 0 40 DGAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 7213294 MMJYWDXOZNOZKH-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CCc1ccc(NC(=S)NCc2ccc3c(c2)OCO3)cc1 7522197 WOGYVIVPQOGHQK-UHFFFAOYSA-N 314.410 3.464 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1 10279857 QCRCBSHTEARHBV-AWEZNQCLSA-N 324.852 3.100 0 40 DGAB Cc1ccn2cc(C(=O)Nc3cccc(N4CCCC4)c3)nc2c1 47232839 OMHFBTQVTAECOG-UHFFFAOYSA-N 320.396 3.495 0 40 DGAB Fc1ccc(NCc2cnc3ccc(Br)cn23)nc1 97045342 FPOBRXAOLQDHCE-UHFFFAOYSA-N 321.153 3.243 0 40 DGAB CCOc1ccccc1CNC(=O)COc1cccc(C)c1C 53163037 PHJREMLGEPJPSF-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB C[C@@H]1CN([C@H](C)C(=O)Nc2ccccc2-c2ccccc2)CCO1 103444904 SNEUEJSGOYDAJH-HZPDHXFCSA-N 324.424 3.401 0 40 DGAB CS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 72287110 VKGCZCNWWJLYNF-GJZGRUSLSA-N 306.431 3.049 0 40 DGAB CCN(Cc1noc(C)n1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106643404 GZOSKPZWDFGHEP-PBHICJAKSA-N 314.433 3.035 0 40 DGAB O=C1[C@@H]2[C@H]3C[C@@H]([C@H](c4ccccc4)C3)[C@H]2C(=O)N1c1nccs1 100394401 SKUIOZKPGFUHDJ-GZBLMMOJSA-N 324.405 3.072 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)c(C)c1 58406163 DKJFOLHDWOGYKE-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)c1c[nH]c2ccccc2c1=O 71908582 LJSGVWWXEOHPAY-KZULUSFZSA-N 318.376 3.191 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)c(C)c1 69390422 ACWQZXNJYUPYIV-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB CCn1nc(C)c2ncnc(NCc3ccccc3Cl)c21 57312441 WXHWSOCYKMGZKH-UHFFFAOYSA-N 301.781 3.420 0 40 DGAB c1cnn(Cc2ccc(N[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cc2)c1 108472484 DTJGJBKMSZRHBQ-RCCFBDPRSA-N 309.413 3.301 0 40 DGAB CN(CC(=O)Nc1ccc2c(c1)CCC2)Cc1cccc(F)c1 3331321 JSLDJHAWDANJRJ-UHFFFAOYSA-N 312.388 3.385 0 40 DGAB CN(C)CCCN1CN=C(c2ccccc2)N(c2ccccc2)C1 22609041 OYRMANOSGAUYBY-UHFFFAOYSA-N 322.456 3.122 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)CSc1ccncc1 58305467 QTHVYGKHEDYHCL-UHFFFAOYSA-N 316.426 3.149 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1[nH]nc(C(F)(F)F)c1C 58434145 ISBDTIRWIHZSQX-YFKPBYRVSA-N 316.283 3.084 0 40 DGAB CCCCOc1cccc(CNc2cncc(-n3cccn3)n2)c1 48310259 LZWRPIDWTWOMIL-UHFFFAOYSA-N 323.400 3.453 0 40 DGAB O=C1S[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccccc1 2308272 AGFQESIYERTOLH-ZDUSSCGKSA-N 302.330 3.464 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(NC(=O)C3CC3)s2)cc1 12875794 SUTJEDAZSJULMA-UHFFFAOYSA-N 314.410 3.335 0 40 DGAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H]1CCCC[C@@H]1C 110493164 XFAYCURSJBVIJG-NXBVOPPISA-N 321.442 3.388 0 40 DGAB Cc1cccc(NC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)c1 13000394 PXOZHRXPIDIRHE-AWEZNQCLSA-N 324.380 3.138 0 40 DGAB CN(C)c1nc2sc(C(=O)Nc3ccncc3)cc2s1 48911774 FLFYEOWEBJZCAQ-UHFFFAOYSA-N 304.400 3.071 0 40 DGAB COc1ccc(Cl)cc1CN(C)C(=O)c1c(C)noc1C 8883546 SAADKHWBGLHYFW-UHFFFAOYSA-N 308.765 3.226 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2nc(C3CC3)n[nH]2)c1 8940556 OVHUTORLVPQTAZ-UHFFFAOYSA-N 302.403 3.030 0 40 DGAB COc1ccc(-c2nnc(S)n2-c2ccccc2F)cc1 6181837 GFQTXPSFLPDADV-UHFFFAOYSA-N 301.346 3.371 0 40 DGAB CCc1c(Oc2ccccc2OC)nc2n(c1=O)CCCS2 5271278 QRISOYQOZMCWGV-UHFFFAOYSA-N 318.398 3.102 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 5245829 WSJVAXCFTSADPC-CQSZACIVSA-N 306.369 3.067 0 40 DGAB O=C(NCc1cccnc1)c1c2c(nc3ccccc13)CCC2 5421940 UPIUNGOKSSRPRY-UHFFFAOYSA-N 303.365 3.049 0 40 DGAB Cc1cccc(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)n1 6722256 VDUBTLDSJBMPIB-MRXNPFEDSA-N 317.433 3.050 0 40 DGAB O=c1cc(N2CCN(c3ccccc3)CC2)c2ccccc2o1 5800033 LBWNTXNDNYLSQN-UHFFFAOYSA-N 306.365 3.120 0 40 DGAB CC(C)Oc1ccccc1CNC(=O)N[C@@H](C)c1nccs1 78602455 FCODFHRLHOPWPV-LBPRGKRZSA-N 319.430 3.491 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccnc(C)c2Cl)s1 96004198 NWHVQFKLRPGILE-UHFFFAOYSA-N 316.835 3.468 0 40 DGAB CC[C@@H](C(=O)OC)N(C(=O)c1csnc1C)c1ccccc1 96008792 CESHRVVNALTSFL-AWEZNQCLSA-N 318.398 3.050 0 40 DGAB O=C(COc1ccc(Cl)cc1)N[C@H]1CCOc2ccccc21 7215121 GTGIRQLMURCSTA-HNNXBMFYSA-N 317.772 3.359 0 40 DGAB CCc1ccc(NC(=S)N2CC(=O)Nc3ccccc32)cc1 16273111 ARELKWMTOLZCGZ-UHFFFAOYSA-N 311.410 3.405 0 40 DGAB Cc1cc(CN(CCCO)[C@@H]2CCCc3ccccc32)no1 81535477 OWXQPAPSZVHAIJ-GOSISDBHSA-N 300.402 3.245 0 40 DGAB CC(C)c1cccc(NC(=O)Cn2cnc3ccccc3c2=O)c1 8157938 BWKXNCDWOVWUQL-UHFFFAOYSA-N 321.380 3.159 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1ncc(-c2ccccc2)o1 8485780 ASFOJLBKSRBVCF-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cccc(C)c2C)C1 69528004 OVYYEHCFCCWAFG-INIZCTEOSA-N 316.445 3.072 0 40 DGAB O=C(Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1)c1cscn1 96412545 IZFSIUUEORAHCF-LSDHHAIUSA-N 318.398 3.078 0 40 DGAB Cc1ccc(-c2nc(CN[C@@H](C)Cn3cccn3)cs2)o1 71879138 OJGDFDYREKEKCV-NSHDSACASA-N 302.403 3.086 0 40 DGAB CCN(CC)C(=O)Nc1ccc(CCN2CCSCC2)cc1 71846729 PUCRQYGSOJMWIS-UHFFFAOYSA-N 321.490 3.152 0 40 DGAB Cn1cc(C2CCN(CCCc3nc4ccccc4o3)CC2)cn1 97203243 MCJFJMVUFYVHTL-UHFFFAOYSA-N 324.428 3.374 0 40 DGAB Cn1cc(CNc2nnc(C(F)F)s2)c(C(C)(C)C)n1 97376095 GYASHKXRSRPRKV-UHFFFAOYSA-N 301.366 3.119 0 40 DGAB O=C(N[C@@H](CCO)c1cccs1)c1cccc2cc[nH]c12 95445768 DUASOEXBRZMLGO-ZDUSSCGKSA-N 300.383 3.083 0 40 DGAB Cc1csc(CNCCOc2ccc(C(F)(F)F)cn2)n1 95415592 GNFJVHICRFPQAW-UHFFFAOYSA-N 317.336 3.034 0 40 DGAB CCn1nc(C)c(CNC(=O)N(C2CC2)[C@@H](C)C(C)C)c1C 95409934 IEHWOPRJRAPXOE-ZDUSSCGKSA-N 306.454 3.238 0 40 DGAB Cc1ccc(C(F)(F)F)cc1NC(=O)CC(C)(C)C(=O)O 73853372 KIUSMMJOVUIQIG-UHFFFAOYSA-N 303.280 3.453 0 40 DGAB CCCN(CCN(C)C)C(=O)c1nc(-c2ccccc2)oc1C 95955831 WCURRTJYRKKVPZ-UHFFFAOYSA-N 315.417 3.064 0 40 DGAB NC(=O)Nc1cccc(C(=O)N(CC2CC2)c2ccccc2)c1 95964478 OHCYNAVGTMQHRO-UHFFFAOYSA-N 309.369 3.234 0 40 DGAB O=C(CCn1nccc1-c1ccncc1)Nc1cccc(F)c1 95974767 FEKDIOWJEMBVKI-UHFFFAOYSA-N 310.332 3.113 0 40 DGAB COc1cc([C@H](C)Nc2ncccc2Cl)ccc1OCCO 88701942 RGMZBHZWHWCYSZ-NSHDSACASA-N 322.792 3.288 0 40 DGAB Cc1cc(CC(=O)N2CCCc3cccc(OC(F)F)c32)no1 74512157 CCWZBDZTMVVSBM-UHFFFAOYSA-N 322.311 3.106 0 40 DGAB CN(C)c1cccc(C(=O)N2CCO[C@H](c3ccsc3)C2)c1 89326698 AUTBICUKEWZTBX-INIZCTEOSA-N 316.426 3.028 0 40 DGAB COc1cccc2c1O[C@@H](C)C(=O)N(c1ccccc1F)C2 75165528 YRSPLVMWVJBOLN-NSHDSACASA-N 301.317 3.148 0 40 DGAB CCOc1ccccc1CNS(=O)(=O)Cc1cccc(C)c1 20451229 FLEQESOXALXZGU-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB COc1ccc2oc(-c3ccccc3OC)c(OC)c(=O)c2c1 2553976 NRPVNJIMIFDLSF-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic Cc1ccc(C)n1CCC(=O)N[C@H](C)c1nc2ccccc2[nH]1 526052486 IZANFDMUVSWUEE-CQSZACIVSA-N 310.401 3.249 0 40 DGAB COc1ccc([C@@H](C)NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 30854425 SNYCILBQYONGJN-OLZOCXBDSA-N 317.360 3.479 0 40 DGAB CN(C(=O)c1ccc(F)cc1)c1nnc(-c2cccnc2)s1 35312732 MQTGKIWMQCTTJV-UHFFFAOYSA-N 314.345 3.016 0 40 DGAB Cc1nc(C)c(C(=O)NCc2cc(-c3ccccc3)on2)s1 38752453 QGACWEFVZKLDIK-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB O=C1N=C(O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@H]12 40402099 SOINPWLBNFOAHL-DGSCNEQVSA-N 309.752 3.357 0 40 DGAB CC(C)Oc1cccc(NC(=O)c2ccc3c(c2)OCCO3)c1 225401098 LYLHSRBPBKVPOG-UHFFFAOYSA-N 313.353 3.497 0 40 DGAB C[C@@H](CCc1ccc(O)cc1)NC(=O)N1CCSCC[C@H]1C 190701168 YEQJQBQHPGOPJE-UONOGXRCSA-N 322.474 3.250 0 40 DGAB COc1ccc([C@@]2(C)NC(=S)N(c3ccc(C)cc3)N2)cc1 225346510 VOBUUSMMYZLSCE-KRWDZBQOSA-N 313.426 3.076 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 42646359 RLSTUCDNLVDYKR-ZFWWWQNUSA-N 302.418 3.443 0 40 DGAB Cc1sc2ncnc(SCCC(=O)NC3CC3)c2c1C 40283179 MOAXOYCVRXMSJR-UHFFFAOYSA-N 307.444 3.069 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1 85397369 UNGBPUBBPIXWBQ-UHFFFAOYSA-N 318.398 3.403 0 40 DGAB Cc1occc1S[C@@H](C(=O)NCc1cccnc1)C(C)C 131362576 XICLHKNZOUQNCC-OAHLLOKOSA-N 304.415 3.416 0 40 DGAB Cc1ccnc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 291227868 WLWBVBTXBJMGMN-UHFFFAOYSA-N 312.348 3.449 0 40 DGAB O=C(CCc1ccccc1F)NCCCN1CCCCCC1 41799903 YZRGHLMIBNXESD-UHFFFAOYSA-N 306.425 3.141 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1ccncc1 225705800 YSUSWVLWHFOIGC-INIZCTEOSA-N 313.426 3.454 0 40 DGAB CCC[C@H](C)NC(=O)c1snnc1-c1cccc(OC)c1 225767823 HLFVYALKIFOIQL-JTQLQIEISA-N 305.403 3.132 0 40 DGAB c1ccc(OCCN2CCC[C@]3(CCN(CC4CC4)C3)C2)cc1 96216428 ISSDFMOQFUVOFQ-FQEVSTJZSA-N 314.473 3.263 0 40 DGAB O=C(CC1(O)CCCCC1)Nc1cccc(-c2ncco2)c1 95436502 JSZNAIXRCTWQDR-UHFFFAOYSA-N 300.358 3.365 0 40 DGAB CC(C)(C)c1cc(C(=O)NC[C@H](O)c2ccccc2Cl)no1 96437364 LTUHRYHYILGWBS-ZDUSSCGKSA-N 322.792 3.089 0 40 DGAB Cc1ccc(N2C[C@]3(CCN(Cc4ccoc4)C3)CC2=O)s1 96077962 CGZBQHBPIDFFRO-QGZVFWFLSA-N 316.426 3.279 0 40 DGAB CC(C)c1nnc(CN2C[C@@H](C)CN(C)c3ccccc32)o1 96424589 QNRGHSXGZWFLEL-ZDUSSCGKSA-N 300.406 3.286 0 40 DGAB CO[C@@H]1CCCOC12CCN(Cc1cccc(F)c1F)CC2 257229974 GAENWVHYRBCMOH-OAHLLOKOSA-N 311.372 3.125 0 40 DGAB O=C(c1ccsc1)N1CCCC[C@H]1c1ccn2ccnc2n1 257238404 HKVNDUFPFMDBEH-AWEZNQCLSA-N 312.398 3.158 0 40 DGAB Cc1nc2ccc(C(=O)N3CCCC[C@H]3c3[nH]ncc3C)cc2[nH]1 257203436 AQASAZWAUFGLDO-INIZCTEOSA-N 323.400 3.270 0 40 DGAB CC(C)=CCC[C@]1(C)C=Cc2c(cc(C)n(CC(=O)O)c2=O)O1 257225693 FHJCUQDJRCGOID-GOSISDBHSA-N 317.385 3.152 0 40 DGAB O=C(O)C1(Cc2ccc(-c3cccnc3)cc2F)CCOCC1 257310613 UFWUMMRBAGQWCL-UHFFFAOYSA-N 315.344 3.312 0 40 DGAB COc1cccc([C@H](CNC(=O)c2cc3ccccc3[nH]2)OC)c1 96389819 YNCSVCMJPFSKQO-SFHVURJKSA-N 324.380 3.294 0 40 DGAB N#Cc1cccc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1 390831249 QROUWKCFJCOWBW-UHFFFAOYSA-N 303.321 3.143 0 40 DGAB CC1(C)CCCN(c2ccnc(N[C@H]3CCCOCC3)n2)C1 656154232 JDTOPCVESWDHGE-AWEZNQCLSA-N 304.438 3.084 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 44917304 YSRNKYYUPIHNTH-NXEZZACHSA-N 317.414 3.116 0 40 DGAB CCOC(=O)c1csc(NC(=O)CSCCC(C)C)n1 48965069 SXUMKVMNYXLXRA-UHFFFAOYSA-N 316.448 3.038 0 40 DGAB CCCCc1nc(CSc2nnc(-c3ccco3)n2C)no1 52888210 KTRCKJDFMIMJFE-UHFFFAOYSA-N 319.390 3.093 0 40 DGAB O=C(NC[C@@H](O)C1CCCCC1)c1cccc(C(F)(F)F)c1 69497108 HBDZDKIJYORPCC-CQSZACIVSA-N 315.335 3.376 0 40 DGAB O=C(c1cn2cc(Cl)ccc2n1)N1CCc2ccccc2C1 12323194 TZIPQWGODJQBFA-UHFFFAOYSA-N 311.772 3.186 0 40 DGAB CCOc1ccc2cc(CNc3ccc(O)cc3)c(=O)[nH]c2c1 13086662 JWKYLCLVHQRHEN-UHFFFAOYSA-N 310.353 3.245 0 40 DGAB Cn1ccc(NC(=O)Nc2cccc(OCc3cccnc3)c2)n1 156579591 XATJFRYJGMKRMJ-UHFFFAOYSA-N 323.356 3.038 0 40 DGAB S=c1oc(-c2ccco2)nn1CN1CCc2ccccc2C1 2644306 KEJAMJWEQINAPB-UHFFFAOYSA-N 313.382 3.481 0 40 DGAB Cc1c(Cl)ccc2sc(N(C)C[C@@H]3COCCO3)nc12 1888870283 ZMIQQXKLSIHBKJ-SNVBAGLBSA-N 312.822 3.110 0 40 DGAB NC(=O)C[C@H](c1ccccc1)c1cc(Br)ccc1O 12375967 UPBJZWYIQZMIMM-GFCCVEGCSA-N 320.186 3.162 0 40 DGAB Brc1ccc(C2=N[C@H](Cc3ccccc3)CO2)nc1 1988188083 RAKCIORFQZQCIL-CYBMUJFWSA-N 317.186 3.232 0 40 DGAB O=C(Nc1cnc2ccnn2c1)c1ccc(C(F)(F)F)cc1 225573280 BCIKMZKXQSGLGO-UHFFFAOYSA-N 306.247 3.000 0 40 DGAB C[C@@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1 75155863 ROGRKSQSBMAONL-CQSZACIVSA-N 313.781 3.178 0 40 DGAB c1ccc([C@@H](N[C@H]2CCc3[nH]ncc3C2)c2ccccn2)cc1 97233938 YSTJZFSTTLXXGI-QFBILLFUSA-N 304.397 3.041 0 40 DGAB Cc1noc(CN(Cc2ccc3c(c2)OCO3)C2CCCC2)n1 40489655 DZOMTKBICBOYIM-UHFFFAOYSA-N 315.373 3.052 0 40 DGAB CC(C)c1ccc(C(=O)OCC(=O)Nc2nccs2)cc1 51356817 YNPWFHUMEZSNLA-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1ccc(CC)cc1 256392 AHNKJLFHBVAVDT-UHFFFAOYSA-N 305.399 3.449 0 40 DGAB O=C(CSc1nnc(-c2ccccc2)o1)N1CCCCCC1 2636760 CWXUEYBEMNUZHH-UHFFFAOYSA-N 317.414 3.231 0 40 DGAB Cc1nn(C)c2c1[C@H](c1ccc(Cl)cc1)SCC(=O)N2C 1570651 HTCOMBLJKZMIOS-AWEZNQCLSA-N 321.833 3.181 0 40 DGAB CCn1c(C)[n+](Cc2ccc(C(=O)O)cc2)c2cc(F)ccc21 1711785 GFNBHNWYQAWZNY-UHFFFAOYSA-O 313.352 3.143 0 40 DGAB CC(C)NCCCC1(C(N)=O)c2ccccc2-c2ccccc21 1855421 UCEWGESNIULAGX-UHFFFAOYSA-N 308.425 3.217 0 40 DGAB world COc1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1OC 1930547 INHCGZMDYKURLB-BJMVGYQFSA-N 301.317 3.495 0 40 DGAB CCC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2)c1C 32759693 NVRQBLFLCQSJOM-UHFFFAOYSA-N 318.398 3.144 0 40 DGAB CCOC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1 3152896 ODCRDXAWCDNLJB-UHFFFAOYSA-N 320.370 3.056 0 40 DGAB O[C@@H](CNCc1ccc(F)cc1)CSc1ccc(F)cc1 4073045 OHUVERZPCAUNML-HNNXBMFYSA-N 309.381 3.208 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 4600137 JKMKFVJLYBZSHJ-BPUTZDHNSA-N 303.402 3.015 0 40 DGAB CC(=O)c1ccccc1OCC(=O)NCc1ccccc1Cl 6051892 ORKLZYHXJUXUQF-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB COc1ccccc1C1=NO[C@@H](C(=O)Nc2ccc(C)cc2)C1 6738311 ASQCZFPKSLWSSB-QGZVFWFLSA-N 310.353 3.135 0 40 DGAB CN(CCOc1ccc(Cl)cc1)CC(=O)NC1CCCCC1 8120762 RMHYXRGXGQQFNQ-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB Cc1cc(SCC(=O)O)c2cc(Br)ccc2n1 521741 ZMOSUQMOOFDJOS-UHFFFAOYSA-N 312.188 3.482 0 40 DGAB C[C@@H]1CCC[C@H](NCc2ccc(CS(C)(=O)=O)cc2)[C@@H]1C 97080718 WHUVVLSTUBWZTE-CPUCHLNUSA-N 309.475 3.146 0 40 DGAB c1ccc(CN2CCC[C@@H](NCc3cccc4c3OCO4)C2)cc1 60975768 BDMMUVNTSIBPSV-GOSISDBHSA-N 324.424 3.170 0 40 DGAB CCOC(=O)[C@@H](NC(C)C)c1ccc(Br)cc1 37446374 DTOANJXXAAASEK-LBPRGKRZSA-N 300.196 3.051 0 40 DGAB biogenic,in-vitro Cc1c(C(=O)N2CCC[C@H](C(=O)O)C2)sc2ccccc12 37416381 BBMYMSVHPYJZMZ-NSHDSACASA-N 303.383 3.147 0 40 DGAB O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCCC1 20492537 WSOKOUJJCDYGER-UHFFFAOYSA-N 306.409 3.485 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)[C@H]1C[C@H]2CC[C@H]1C2 105557502 XBCDPFTYQMVIKV-GVXVVHGQSA-N 302.399 3.456 0 40 DGAB CC(=O)c1ccc(Oc2cc(C(F)(F)F)cnc2C(N)=O)cc1 1392185 OBDNZQVDJHRGSW-UHFFFAOYSA-N 324.258 3.194 0 40 DGAB O=C1CCc2cc(C(=O)NCc3ccc(Cl)s3)ccc2N1 25524301 RVLFGWRFQQVGTI-UHFFFAOYSA-N 320.801 3.216 0 40 DGAB N=C1NC(=O)/C(=C\C(Br)=C\c2ccccc2)S1 100931103 MWBYVSFDARKZLD-PCCLLEMOSA-N 309.188 3.104 0 40 DGAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)NC[C@H]1CCCO1 35681751 UZLOBJPCVUYQJR-CYBMUJFWSA-N 320.776 3.212 0 40 DGAB Cc1ccc(C(=O)Cn2nnc(-c3ccccc3Cl)n2)cc1 3222445 NGTSLLOIEKWQSK-UHFFFAOYSA-N 312.760 3.185 0 40 DGAB O=C1Nc2ccccc2[C@@]12CCN[C@@H]2c1cccc2cccnc12 62001491 OKWNDTMHYVBTOU-UYAOXDASSA-N 315.376 3.159 0 40 DGAB biogenic C[C@@H](NC(=O)c1cn(C)c2ccc(F)cc2c1=O)c1ccccc1 22236180 QDBBQROJVWWLQF-GFCCVEGCSA-N 324.355 3.169 0 40 DGAB Cc1ccc(NC(=O)CCn2c(C)csc2=O)c(Cl)c1 27754722 BBGHZGCPOAPYNZ-UHFFFAOYSA-N 310.806 3.209 0 40 DGAB Cc1noc(C)c1NS(=O)(=O)c1ccc2ccccc2c1 58358183 JNBAWRCTGLJEIO-UHFFFAOYSA-N 302.355 3.245 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1ccc(=O)[nH]c1C 95431899 QLWLTIRVVFPXSI-UHFFFAOYSA-N 300.358 3.073 0 40 DGAB C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 95434464 YDCJZDFZTBLDAX-XHDPSFHLSA-N 314.410 3.471 0 40 DGAB CCOC(=O)Nc1cccc(N[C@@H](C)C(=O)NC(C)(C)C)c1C 58440294 GXTSHBYVNNFYRZ-LBPRGKRZSA-N 321.421 3.279 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc2ccccc2o1)c1ccccc1 3341074 XAXHIPVGEGGUJJ-MRXNPFEDSA-N 308.381 3.466 0 40 DGAB CN(CC(=O)NC(C)(C)C)C(=O)Nc1cccc2ccccc12 11005258 XEFXFQGPMWMWLZ-UHFFFAOYSA-N 313.401 3.218 0 40 DGAB CC(C)[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 8748663 FPHHCCMWFUGROR-GHMZBOCLSA-N 307.365 3.055 0 40 DGAB CC[C@@H](C)Nc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 36613257 JTNYNOGZRIKSBG-MRVPVSSYSA-N 313.327 3.415 0 40 DGAB CC(=O)N(C)c1nc(CN(C)[C@H]2CCc3ccccc32)cs1 48311538 QPCHUKGOTLMDNG-INIZCTEOSA-N 315.442 3.245 0 40 DGAB COc1ccc2[nH]cc(CCn3ccc(=O)c4c3CCCC4)c2c1 12952785 CVCOCFWTPHDVQE-UHFFFAOYSA-N 322.408 3.460 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)cc1F 12905933 ARXBYHDTYCWYPR-UHFFFAOYSA-N 324.739 3.221 0 40 DGAB Cc1cc(Br)ccc1N(C)C(=O)[C@H]1CCO[C@@H]1C 92336987 DFPVWZMFMQAROT-PWSUYJOCSA-N 312.207 3.145 0 40 DGAB CCOC(=O)c1cccc(N(CC)Cc2nc(C)c(C)o2)c1 64247305 AJWQUNLOLVNVCR-UHFFFAOYSA-N 302.374 3.495 0 40 DGAB CCOc1c(OC)cc(CNC(=O)CC(C)(C)C)cc1OC 64454834 MMBBWRBDNKMKOD-UHFFFAOYSA-N 309.406 3.155 0 40 DGAB O=c1c2sccc2ncn1Cc1ccccc1Br 8937279 UQPGTIIUXRGCJT-UHFFFAOYSA-N 321.199 3.269 0 40 DGAB CC(C)(C)C(=O)Nc1cc(F)ccc1NC(=O)c1ccccn1 71185855 JDSXRIWHHMQMHP-UHFFFAOYSA-N 315.348 3.458 0 40 DGAB Cc1cc(CNC(=O)c2cc(C3CC3)nc3ccccc23)on1 65575751 QLTQHYOYPOTRNY-UHFFFAOYSA-N 307.353 3.339 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1ccn(C)n1 14188453 VVHIOUZLLNLIEQ-QMMMGPOBSA-N 314.172 3.133 0 40 DGAB O=C(NCc1cccnc1)C1(c2cccc(C(F)(F)F)c2)CC1 65620630 JTXMPSRQIXRLFZ-UHFFFAOYSA-N 320.314 3.448 0 40 DGAB CCC[C@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 5469876 KLMPKZWUMKFTLZ-VIFPVBQESA-N 306.431 3.101 0 40 DGAB COc1ccc(/C=C/C(=O)O[C@@H]2CCCC[C@H]2CN(C)C)cc1 5524621 YFCDMEJSQRDGGK-PZQFMBMYSA-N 317.429 3.372 0 40 DGAB O=C1N[C@@]2(CCCc3sccc32)C(=O)N1Cc1ccccc1 5680315 OPYSQCDHRKAFOB-QGZVFWFLSA-N 312.394 3.032 0 40 DGAB Cc1cnc(C(=O)N(Cc2ccccc2)Cc2ccco2)cn1 6880091 WGIJDFZWMSHCGF-UHFFFAOYSA-N 307.353 3.221 0 40 DGAB COC[C@H](C)n1cc(C(=O)Nc2cc(Cl)ccc2O)c(C)n1 96002459 KYBBZRYNNNUHEH-VIFPVBQESA-N 323.780 3.010 0 40 DGAB COc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)(C)C 8131863 NPGNDJKSOYOTOV-UHFFFAOYSA-N 311.447 3.167 0 40 DGAB COc1ccc(-c2nnc(NC(=O)CC(C)C)s2)cc1OC 17207615 XIKUVXWDPIQBSI-UHFFFAOYSA-N 321.402 3.207 0 40 DGAB O=C1C[C@@H](c2cccc(F)c2)c2c(ccc3nsnc23)O1 96231896 XIEBFMJTKLZOHA-JTQLQIEISA-N 300.314 3.271 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccc(Cl)s1 71859128 FYKQAEZLMNHALL-ZRNGKTOUSA-N 319.879 3.098 0 40 DGAB CC(=O)N[C@@H](C)C(=O)Nc1cccc(Sc2ccccc2)c1 71888125 RSSNJQIEPODHLA-LBPRGKRZSA-N 314.410 3.301 0 40 DGAB O=C(NCC[C@H]1CCCO1)c1cnc(-c2ccsc2)s1 71900120 WIXYWGZONUFDDB-LLVKDONJSA-N 308.428 3.171 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@@H](C)C[C@H](O)c2cccs2)o1 95434450 RMSQIGHSCVALOM-XNHDODSBSA-N 305.399 3.291 0 40 DGAB CCOC(=O)[C@@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 79355047 JSMNPJPURFUFPT-GFCCVEGCSA-N 306.406 3.343 0 40 DGAB Cn1cc(COC(=O)c2nc(-c3ccccc3)oc2C2CC2)cn1 89755804 MJUKRVWFGJJHLH-UHFFFAOYSA-N 323.352 3.310 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CN2CCC[C@H]2C(C)(C)O)cc1 89725075 CDXDLTHAJUUMHP-INIZCTEOSA-N 318.461 3.158 0 40 DGAB C[C@H]1CN(c2ccccc2)CCN1C(=O)CC(F)(F)C(F)F 1550296984 SQFDVMIFRPJWKE-NSHDSACASA-N 318.314 3.014 0 40 DGAB O=Cc1ccc(Sc2n[nH]c(COc3ccccc3F)n2)o1 408552777 NSBNUCWJLWNKKW-UHFFFAOYSA-N 319.317 3.080 0 40 DGAB O=C(NCCc1cccnc1)N(CC1CC1)C1CCCCC1 69764663 FDMQTFJCQZMRPZ-UHFFFAOYSA-N 301.434 3.378 0 40 DGAB Cc1ccccc1OCc1noc(C2(c3cccnc3)CC2)n1 516931405 YEFLALSLHJAGLF-UHFFFAOYSA-N 307.353 3.432 0 40 DGAB Cc1ccc(-c2nsc(C(=O)NCc3ccncc3)c2N)cc1 62007063 DBCFZBNHYPRFEA-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB O[C@]1(C(F)(F)F)CCCN(Cc2cnc(C3CC3)s2)CC1 561974757 KXKBWUATKQEDFV-CYBMUJFWSA-N 320.380 3.300 0 40 DGAB CSc1cncc(NCc2ccc(C)nc2N2CCCC2)n1 133061430 VGBDBCHMKNZZCT-UHFFFAOYSA-N 315.446 3.114 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)cnc1N 72218436 VRLKZPJWNKZENU-MRXNPFEDSA-N 311.385 3.446 0 40 DGAB Cc1ccc(-n2cnc(C(=O)NCc3ccc(F)cc3)c2)cc1 227116335 FRADVNWJGAWYOV-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB CC(C)Sc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 225459643 JIGGRYGENRIIAS-SNVBAGLBSA-N 323.443 3.445 0 40 DGAB Cc1cc(O[C@H]2CCNC2)c(Br)c(C)c1Cl 42774461 WRDGRLQUIQECGU-VIFPVBQESA-N 304.615 3.460 0 40 DGAB Cc1nc(-c2noc3ccc(C(=O)N4CCCO4)cc23)cs1 96037864 YHDOJSPLNGAYBF-UHFFFAOYSA-N 315.354 3.037 0 40 DGAB FC(F)(F)c1ccc(Br)c(CN2CCOCC2)c1 90413757 GPOBGZOOAWBPLX-UHFFFAOYSA-N 324.140 3.300 0 40 DGAB CCc1noc(CN(C)[C@H](C)c2ncc(-c3ccccc3)o2)n1 96411883 UHTGTMIKUWNCBE-GFCCVEGCSA-N 312.373 3.480 0 40 DGAB Cc1ccc(CNC(=O)c2noc(-c3ccc(F)cc3)n2)cc1 96105671 QRUCYFCXVSTOKF-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB COc1ccccc1CN1CCOC[C@H]1c1csc(C)n1 96218376 GDQNNMYLEUEYOT-HNNXBMFYSA-N 304.415 3.034 0 40 DGAB C[C@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C 96493200 SWFNMBMPDDAPNT-IINYFYTJSA-N 314.351 3.223 0 40 DGAB c1cncc(CN2CCC[C@H](Cn3cnc4ccccc43)C2)c1 584908738 VAKGYBDRWGFITD-KRWDZBQOSA-N 306.413 3.344 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257327836 XCZCAXSKPYBWHM-ZDUSSCGKSA-N 315.442 3.288 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 253388607 GOKPDKDRPGNKPQ-RCBQFDQVSA-N 309.365 3.396 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CNc2cccnc2)cn1 257330260 XNPWTJGLWGKNPG-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1Oc1ccccc1F 257311882 ULKAFLACCSCOIO-RDJZCZTQSA-N 321.417 3.292 0 40 DGAB CCCCn1cc(CN2CC[C@@H](c3nc(C)c[nH]3)C2)c(C)n1 257319569 VTBLYJZVZMNPQI-OAHLLOKOSA-N 301.438 3.013 0 40 DGAB COc1ccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c(F)c1 257315803 VCVFGGPJDCYSDE-DZOHQFGASA-N 321.392 3.359 0 40 DGAB CCCNc1ccc(CNC(=O)N2CC[C@H](OC)C[C@@H]2C)cc1 282427036 MHVWCXPEDHESBI-YOEHRIQHSA-N 319.449 3.217 0 40 DGAB CCc1nc(CN2CCO[C@@H](c3ccc(F)cc3)C2)cs1 44737353 HAPUZJNFIPYZOU-OAHLLOKOSA-N 306.406 3.418 0 40 DGAB O=C(NC1=NCCS1)c1ccc2noc(-c3ccccc3)c2c1 57808550 KKRIJMXQCYEKNM-UHFFFAOYSA-N 323.377 3.327 0 40 DGAB CCC[C@@H](C)N(C)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1 58175400 HPUHOPPRCDXVDC-GDBMZVCRSA-N 319.449 3.036 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H](n4cccn4)C3)c[nH]c2c1 69418257 CCOZPXXONIMQLK-INIZCTEOSA-N 322.412 3.079 0 40 DGAB CC(C)(C)[C@H]1CN(Cc2ncc(Br)s2)CCO1 390835631 SWYZRZKNBWFXEG-SECBINFHSA-N 319.268 3.153 0 40 DGAB Cc1cn(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)cn1 5728529 SNKFMVUCFDATFF-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB COc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccccn2)c1 12115166 STMVTLPGKQPKRN-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB C[C@@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 19365815 WEMKXTZKYQLYKL-YLJYHZDGSA-N 316.489 3.090 0 40 DGAB COc1cc(NC(=O)c2ccccc2C)cc2sc(N)nc12 226309654 CPXKDCFQFAMKGK-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB O[C@@H](CNc1ncc(F)cn1)c1ccc(-c2cccs2)o1 1889160449 KRQAJSGGGQQXPM-JTQLQIEISA-N 305.334 3.083 0 40 DGAB Cn1ncc2c1C[C@@H]([C@H]1CCCCN1C(=O)OC(C)(C)C)CC2 1889125176 CLONOXNUXXPRHP-DZGCQCFKSA-N 319.449 3.315 0 40 DGAB Cc1ccc(Cc2nnc(NC(=O)Cc3ccccc3)o2)cc1 36657183 BQDZOWJOVHINHT-UHFFFAOYSA-N 307.353 3.150 0 40 DGAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027049 SCKWFJBWUFTIAS-LOJOQKOYSA-N 316.397 3.314 0 40 DGAB biogenic O=C(NCCOc1ccccc1)c1cc(F)c(F)cc1Cl 4577203 LLKZJMMOUYYSIS-UHFFFAOYSA-N 311.715 3.427 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](N[C@@H](C)c3ccccc3)C2=O)cc1 20082269 IUZKATVGXGGGGI-KSSFIOAISA-N 322.408 3.232 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2cccnc2SC)cn1 40142437 FPARWIFPHYJITE-UHFFFAOYSA-N 316.430 3.297 0 40 DGAB Cc1cc(NC(=O)NCc2csc(Br)c2)no1 31099703 OVKCFHMGTMNGQA-UHFFFAOYSA-N 316.180 3.129 0 40 DGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 219753 SANZUEVXRMVMNJ-ZBFHGGJFSA-N 314.429 3.045 0 40 DGAB Cc1noc([C@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)n1 60241701 QWDRSMJVDYZUKG-ZETCQYMHSA-N 314.172 3.105 0 40 DGAB O=C([C@H]1Cc2ccccc2O1)N1CCC[C@@H]1Cc1ccccc1 69899951 YKVPDYIYBWXHQA-IEBWSBKVSA-N 307.393 3.224 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(NC[C@@H]4CCCO4)c23)C1 1972848 POHPARJKILSJOV-QWRGUYRKSA-N 303.431 3.407 0 40 DGAB COc1ccc(NC(=O)COc2ccccc2OC)cc1Cl 3606939 UHINYNXTMWOTMR-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CCOCCc1nnc(NC(=O)CCC2CCCCC2)s1 6600222 KWPOWHOEMXDFLD-UHFFFAOYSA-N 311.451 3.416 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)NCCc1ccccn1 21773530 VLVZOFLBFPUIQE-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB COc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C)c1 7983450 ZGTXLPHJMCMUND-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB Cc1nc2n(n1)C[C@H](NCc1ccc(Oc3ccccc3)o1)CC2 97054716 RYIGBIOLHZNVCN-CQSZACIVSA-N 324.384 3.076 0 40 DGAB CC1CCN(C(=O)CSc2nnc(-c3cccs3)o2)CC1 416197 ZZVJYIQAVNTUFB-UHFFFAOYSA-N 323.443 3.149 0 40 DGAB CCOC(=O)c1c(O)c2c(-c3ccccc3)csc2[nH]c1=O 57315552 LHETVHCRYJKORD-UHFFFAOYSA-N 315.350 3.139 0 40 DGAB COc1ccc2c(ccn2CC(=O)N2CCC[C@@H]2C2CCC2)c1 102876968 ROVJXAAKZXQQJG-GOSISDBHSA-N 312.413 3.441 0 40 DGAB O=C(c1cc(Cl)sc1Cl)N1CCO[C@@H]2CCC[C@@H]21 53376137 ZCCIASCKDAVAEB-DTWKUNHWSA-N 306.214 3.448 0 40 DGAB CCCc1noc(CN2CCC[C@@H]2c2cccc(OC)c2)n1 42632686 MGTWNJITNPANPG-OAHLLOKOSA-N 301.390 3.368 0 40 DGAB CCOC(COc1cc(F)ccc1Br)OCC 42684507 ULSLPPOVDLNXSG-UHFFFAOYSA-N 307.159 3.366 0 40 DGAB CC(C)(C)OC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(F)c1 72314081 GCJLTCIODIUHPU-ZDUSSCGKSA-N 308.353 3.164 0 40 DGAB CNC(=O)c1ccc(C)c(NC(=O)c2ccccc2Cl)c1 24924155 QDTDYPCEVDMHRU-UHFFFAOYSA-N 302.761 3.260 0 40 DGAB O=C(COC(=O)/C=C/c1cccs1)Nc1cc(F)ccc1F 3241187 ZQTATGQXGPVSGZ-GQCTYLIASA-N 323.320 3.221 0 40 DGAB O=C(CN1CCc2ccccc2C1)NCc1ccccc1Cl 34859822 BGUJDXWOHVUTAH-UHFFFAOYSA-N 314.816 3.015 0 40 DGAB CCn1cc(CCC(=O)NCc2ccc(Cl)cc2)c(C)n1 28576040 AVUJOKJMYUNZNF-UHFFFAOYSA-N 305.809 3.114 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)N[C@H](C)C[C@@H](O)c1ccco1 108105495 JBFSMOKKJNXOLM-YRGRVCCFSA-N 322.430 3.084 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 69952216 OUSLIMWUJXOOBA-CYBMUJFWSA-N 316.430 3.003 0 40 DGAB CCc1nnc(NC(=O)c2c(C)noc2-c2ccccc2)s1 35671459 IMTYZUNCHBERJH-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB CC(=O)COc1ncnc2scc(-c3ccc(F)cc3)c12 3366199 SMBLGQRAQBXTHM-UHFFFAOYSA-N 302.330 3.465 0 40 DGAB Clc1ccccc1-c1noc(OCc2nnc(C3CC3)o2)n1 58282678 ZCPFULHXFPMJLZ-UHFFFAOYSA-N 318.720 3.229 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@@H]1CN1CCCC1)c1ccc(F)cc1 58212046 TUHBCZHAOBBSJB-RHSMWYFYSA-N 319.424 3.157 0 40 DGAB CN(c1c(F)cccc1F)S(=O)(=O)c1cc(F)cc(F)c1 58246080 HAGJAWCACQDXNU-UHFFFAOYSA-N 319.279 3.068 0 40 DGAB COCc1nc(C(=O)N2CCc3ccc(Cl)cc32)cs1 58725067 BUUTUGNYQUXMAA-UHFFFAOYSA-N 308.790 3.146 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccc(OC)cc2)c1 3559109 IIBXHUBCXFUPHF-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CCCN(Cc1cccc2ccccc12)[C@H]1CCS(=O)(=O)C1 71006229 HEUQRCWZQXJNEY-KRWDZBQOSA-N 317.454 3.239 0 40 DGAB CCCn1cc(C(=O)N[C@H](c2cc(C)ccn2)C2CC2)c(C)n1 65373869 MAKNEOUWWGKEGX-KRWDZBQOSA-N 312.417 3.186 0 40 DGAB CC(C)[C@@H](NC(=O)NCCNc1ccccn1)c1cccs1 65454257 DHNUTUOSKVNUIQ-OAHLLOKOSA-N 318.446 3.252 0 40 DGAB Cc1nnc(SCC(=O)N2CCSc3ccccc32)s1 14095645 PZFVIOCMKIOGGG-UHFFFAOYSA-N 323.468 3.078 0 40 DGAB Cc1ccoc1C(=O)N[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 97104003 YHGGYRXOYYLKBH-QWHCGFSZSA-N 322.405 3.154 0 40 DGAB CCOc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 5440457 REEZEWXUCOCNCI-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB Cc1c(O)ccc2c(CN3C[C@@H](C)C[C@@H](C)C3)cc(=O)oc12 6510872 KEKTUWUHTFKGSB-TXEJJXNPSA-N 301.386 3.285 0 40 DGAB Cc1ccc(C(=O)CN2CCN(c3cccc(C)c3)CC2)cc1 67206390 YQLRUMOJAVXFHT-UHFFFAOYSA-N 308.425 3.308 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ccc(Cl)cc2)C1 67801142 KIVCWXSGPCIKQE-AWEZNQCLSA-N 310.825 3.439 0 40 DGAB COCCNc1nc(-c2ccc3c(c2)OCCCO3)cs1 9753746 ILKSBERIVBKQFV-UHFFFAOYSA-N 306.387 3.030 0 40 DGAB COc1ccc(OC)c(NC(=O)CNc2ccc(C)cc2F)c1 7973813 BKOFGKYJMGXYJI-UHFFFAOYSA-N 318.348 3.202 0 40 DGAB C[C@H]1CN(C(=O)c2ccnc(F)c2)c2cc(Cl)ccc2O1 81335826 XDGNFMQIAZNURK-VIFPVBQESA-N 306.724 3.302 0 40 DGAB CN(CC12CC3CC(CC(C3)C1)C2)c1cn[nH]c(=O)c1Cl 16738803 HJVNXWBIYLIWGL-UHFFFAOYSA-N 307.825 3.076 0 40 DGAB CCOc1cc(/C=C2\SC(=O)N(C)C2=O)cc(Cl)c1O 408817453 XRYLWDFTDHWCPG-POHAHGRESA-N 313.762 3.110 0 40 DGAB O=C(CN1CCCCCC1=O)O[C@@H]1CC[C@H]2CCCC[C@@H]2C1 71794547 VPKYUSKCEJQQMN-BZUAXINKSA-N 307.434 3.291 0 40 DGAB CCCn1c(C)nnc1CN(C#N)c1ccc(F)c(Cl)c1 96486227 VSGROKJYTFTBBK-UHFFFAOYSA-N 307.760 3.277 0 40 DGAB Cc1csc(C2CCN(C(=O)c3ccccc3O)CC2)n1 71855421 YBLPGGAMKCGQPO-UHFFFAOYSA-N 302.399 3.177 0 40 DGAB COc1ccc(C(=O)NCc2ccc[nH]2)cc1OC1CCCC1 97372366 KHOXDXCRAQYSLL-UHFFFAOYSA-N 314.385 3.275 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c1C 72699758 JCPWRUZSQYVPHW-NSHDSACASA-N 324.384 3.201 0 40 DGAB COc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)nn1 78054639 OATQSNTYCRZBKP-LLVKDONJSA-N 311.341 3.065 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1NCc1ccc(Cl)o1 84736344 FKDNWEDGDOKBFT-OCCSQVGLSA-N 312.841 3.306 0 40 DGAB COc1ccc2oc(CNC[C@@H]3CCN(C4CC4)C3)cc2c1 95448614 JIWPVOXHDVPXNG-ZDUSSCGKSA-N 300.402 3.015 0 40 DGAB COc1cc(C)c(CN(C)C(=O)Cc2ccc(C)o2)cc1OC 95435842 OFJDYXZPYUGQNV-UHFFFAOYSA-N 317.385 3.115 0 40 DGAB COc1ccc([C@@H]2CCN(c3nnc(C4CC4)s3)C2)cc1 95428475 LARHUGDGFNQIJT-CYBMUJFWSA-N 301.415 3.418 0 40 DGAB Cc1cc([C@@H](C)NC(=O)NCCc2ncc(C)s2)c(C)o1 73900928 FWMJLYMTBCPTNX-LLVKDONJSA-N 307.419 3.264 0 40 DGAB COc1ccc2cccc(CC(=O)N(C[C@H](C)O)C(C)C)c2c1 95979394 HVJRARRLHJMQRD-AWEZNQCLSA-N 315.413 3.009 0 40 DGAB Cc1c(NC(=O)c2ccc(Cl)o2)cccc1N1CCOC1=O 75350057 TZUYABYYBZHXPO-UHFFFAOYSA-N 320.732 3.450 0 40 DGAB COc1ccc(C(=O)Nc2ccc(-c3nc(C)no3)cc2)cc1 62578844 YDYARSPSUQVGCH-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cc1cccc(CSc2nnc(Cc3ccccc3)n2N)c1 409094139 CYLQGHYYTDMWAB-UHFFFAOYSA-N 310.426 3.183 0 40 DGAB Cc1cc(F)cc(S(=O)(=O)Nc2cnn([C@@H](C)C3CC3)c2)c1 547951995 MVSPIWMNGZQYEC-NSHDSACASA-N 323.393 3.102 0 40 DGAB c1ccc(CN2CCC[C@@H](c3nccnc3-n3ccnc3)C2)cc1 72350481 MRHFAKLTJFBQAJ-QGZVFWFLSA-N 319.412 3.042 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 41749159 JDJNMAQZHYYUJB-STQMWFEESA-N 307.438 3.194 0 40 DGAB Cc1nc(Cc2nc(COc3cccc(F)c3)no2)cs1 188156419 ORVXCFHXZNTTGR-UHFFFAOYSA-N 305.334 3.143 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N(C[C@@H](c2ccccc2)C(C)C)C1=O 558236905 RDKZXPQSZLJANW-IMJJTQAJSA-N 302.418 3.393 0 40 DGAB O=C(O)c1cccnc1C(=O)Nc1ccccc1C(F)(F)F 39336200 YULCKXLTKUSGAM-UHFFFAOYSA-N 310.231 3.051 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 37123802 PHMLFVLPDQGZQO-ZDUSSCGKSA-N 323.801 3.436 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCN(C)c1ccccc1 219288063 UKMBUZYXPHVWQI-INIZCTEOSA-N 312.413 3.015 0 40 DGAB CC(C)N1CCC(c2csc(Nc3ncccn3)n2)CC1 72363471 HOSWVZLKANQGME-UHFFFAOYSA-N 303.435 3.265 0 40 DGAB CN[C@@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C1CC1 79437935 WFOLKPOXBYICIS-IAGOWNOFSA-N 302.418 3.318 0 40 DGAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225884541 MQDCRZNLNMKQEH-KRWDZBQOSA-N 302.374 3.387 0 40 DGAB COc1cc(N)ccc1-c1ccc(C(=O)N2CCC[C@H](C)C2)o1 226304605 JSWWLQZUQGEJLY-LBPRGKRZSA-N 314.385 3.410 0 40 DGAB O=C(NC[C@H]1COc2ccccc21)C12CC3CC(CC(C3)C1)C2 74913641 PJKFBJSNPUEKOE-OCABNYQQSA-N 311.425 3.495 0 40 DGAB CSCC[C@](C)(O)CNC(=O)Cc1cccc2ccccc12 75157480 LYNQMBKMAOJVSD-SFHVURJKSA-N 317.454 3.003 0 40 DGAB O=C(c1cccs1)N1CC(c2nc(-c3ccccc3)no2)C1 49031911 MPHTZSNKIVEUSJ-UHFFFAOYSA-N 311.366 3.038 0 40 DGAB CSCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@@H](C)C1 48354076 QAHKGXQSLYUUPK-GASCZTMLSA-N 320.502 3.144 0 40 DGAB Brc1cccc(Br)c1C1OCCO1 140207419 BZQDRLHISRGXQK-UHFFFAOYSA-N 307.969 3.257 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)C1(c2cccs2)CCCCC1 96414283 FEMBSHFPMOLIOV-CQSZACIVSA-N 317.458 3.351 0 40 DGAB O=C(NCCc1cccnc1)N[C@H]1C[C@H]1c1cccc(Cl)c1 96419858 DQDIIWMBOQYMNV-HOTGVXAUSA-N 315.804 3.133 0 40 DGAB Cc1cccc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)n1 96192503 UMMHWBQFSRGGOB-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@]2(CCOC2)C1 96461984 DCAPVOQDNHYGCJ-INMHGKMJSA-N 320.820 3.018 0 40 DGAB CC1(C)[C@H](NCc2cnc(-c3ccccc3)nc2)[C@H]2CCO[C@H]21 579627703 HZHUKJZGFRFNDR-BRWVUGGUSA-N 309.413 3.047 0 40 DGAB C[C@H](NC(=O)CC[C@H]1CCCO1)c1cccc(-n2ccnc2)c1 96432060 UWFVXYPYJCQYNB-WMLDXEAASA-N 313.401 3.009 0 40 DGAB O=c1ccccn1Cc1cc(Br)cc2cccnc12 96469971 OCYHXNCJJPYMKS-UHFFFAOYSA-N 315.170 3.207 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC([C@@H](O)c2nccn2C)CC1 249038586 CRSBVLHKAIZWOD-RYQLBKOJSA-N 317.477 3.158 0 40 DGAB C/C(=C\C(=O)Nc1ccccc1[C@H](O)c1ccccn1)C1CC1 585079793 QIXZMNMKYSESEK-HYSAVQALSA-N 308.381 3.458 0 40 DGAB Cc1cn2c([C@H]3CCCN(C(=O)c4ccncc4)C3)cccc2n1 257221845 DQUDSJWPVHYPDN-INIZCTEOSA-N 320.396 3.058 0 40 DGAB CCC(CC)[C@H]1C[C@@H](NC(=O)CCOC)[C@@H]2CCCC[C@H]2O1 257240798 HVGANIGZGVJZNO-YLFCFFPRSA-N 311.466 3.292 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)CSC3CCCC3)ccc21 49507041 AWNGSVLVSOXUAB-UHFFFAOYSA-N 318.442 3.210 0 40 DGAB Cc1ccc(CC(=O)N(CC(F)(F)F)C2CCCC2)cn1 75094399 MGNSAPMKYUZAIX-UHFFFAOYSA-N 300.324 3.266 0 40 DGAB CC(C)Cc1nnc([C@@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 76083693 ADAGSSWQFWJMAT-NWDGAFQWSA-N 317.389 3.409 0 40 DGAB Cc1cccc(NC(=O)c2ccc(Br)cc2N)c1O 94047056 RLBAZECXJZPBHY-UHFFFAOYSA-N 321.174 3.298 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1c(Cl)cccc1Br 1083806335 KBVNMKXWEIHDLZ-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB COC(=O)C1CCN(C(=O)c2c(Cl)cccc2Cl)CC1 523376 CLQZLAOQCUIXDT-UHFFFAOYSA-N 316.184 3.019 0 40 DGAB O=C(Cn1cnc2ccccc21)Nc1cc(Cl)ccc1O 16545629 ZGKVGSLASLWKIJ-UHFFFAOYSA-N 301.733 3.034 0 40 DGAB Fc1ccc(NC(=S)NCCCN2CCCCC2)c(F)c1 18162527 KQMMYEGTFXJKQR-UHFFFAOYSA-N 313.417 3.127 0 40 DGAB O=C(O)c1cc(-c2ccc(Cl)cc2Br)on1 258656974 HCZIXOYBXVKPCC-UHFFFAOYSA-N 302.511 3.456 0 40 DGAB COc1cccc(OCC(=O)N2CCC(=C3CCC3)CC2)c1 1775985985 NHUDUUGRTKCEKW-UHFFFAOYSA-N 301.386 3.177 0 40 DGAB Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)O 11919910 SYJIYBKWXCBXML-UHFFFAOYSA-N 311.750 3.447 0 40 DGAB Cc1cccc(CC(=O)NCCc2ccc3c(c2)CCCN3C)c1 13006689 IKDTZVGNLGGZAL-UHFFFAOYSA-N 322.452 3.279 0 40 DGAB CC(C)(C)C1CCC(C(=O)NCC(C)(C)N2CCOCC2)CC1 40160845 NSOZSRKDRGXHCQ-UHFFFAOYSA-N 324.509 3.066 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2ccc(Cl)cc2F)C1 40107593 AIZIHTVOFCCXMT-TXEJJXNPSA-N 312.816 3.187 0 40 DGAB COc1ccc(/C=C/C(=O)NCCc2ccccc2)c(OC)c1 147318 GYQQWPFBQBCXCQ-PKNBQFBNSA-N 311.381 3.076 0 40 DGAB CC1CC(=O)C(CC(=O)c2cccc(Br)c2)C(=O)C1 100937925 DQLKSUSSPFTTQV-UHFFFAOYSA-N 323.186 3.206 0 40 DGAB CCCOc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794955 ZUXQZAPDHBJZJQ-UHFFFAOYSA-N 309.163 3.441 0 40 DGAB CC(C)(C)c1ccc2cc(C(=O)NC[C@@H]3CCCO3)[nH]c2c1 29752850 NNJNVCPZKGCIBQ-AWEZNQCLSA-N 300.402 3.374 0 40 DGAB CCOc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 382595 VCOGNHPMGCTNOS-AWEZNQCLSA-N 324.380 3.077 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1cccs1 32869596 XNFPTUHREAOMJC-UHFFFAOYSA-N 307.440 3.148 0 40 DGAB Cc1ccc(NC(=O)C2CCN(c3nccc(C)n3)CC2)c(C)c1 4965923 KYNZTQMPRKKTKX-UHFFFAOYSA-N 324.428 3.257 0 40 DGAB CCCNc1c(NC(=O)c2ccco2)c(=O)oc2ccccc12 6917508 PGFXRBFULLWBGY-UHFFFAOYSA-N 312.325 3.460 0 40 DGAB O=C(NCc1ccccc1Cl)c1cnn(-c2ccccc2)c1 8076919 KQIYTWZLFKFLNO-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB COC(=O)c1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 8288909 HGUOMXJDUILFMM-UHFFFAOYSA-N 311.337 3.075 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c(C)c1 546084 SRCOSOANGKAQIR-INIZCTEOSA-N 312.369 3.121 0 40 DGAB Cc1ncsc1C(=O)O[C@H](c1cccnc1)C(F)(F)F 76090343 XXKXFQJWJQINFM-SNVBAGLBSA-N 302.277 3.307 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCCC3)no1 76043472 FBWIBJDBVNJONI-LBPRGKRZSA-N 317.414 3.296 0 40 DGAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc(C)cc1 28580334 UQUAXDVIAQCYFP-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB CSc1ccc(C)c(C(=O)NC2CCN(C(C)C)CC2)c1 22989627 JUTXVMDEJKODQR-UHFFFAOYSA-N 306.475 3.320 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 994065 RYUWZDKWBSDILW-JJRVBVJISA-N 318.848 3.425 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)OCc1ccccc1 47312654 USRHZZPRMXMZRL-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cccs1 24115200 OWRFRWKPXBRKHC-UHFFFAOYSA-N 300.427 3.274 0 40 DGAB Cc1cc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)ccc1F 72233729 OJESVZBNFHJKAS-GXTWGEPZSA-N 323.364 3.312 0 40 DGAB COc1ccc(NC(=O)c2cccn(CC=C(C)C)c2=O)cc1 1400230 MLXBFDUIIMRCAH-UHFFFAOYSA-N 312.369 3.075 0 40 DGAB C[C@@H]1CN([C@H](C)c2nc(C3CC3)no2)C[C@@H](c2ccccc2)O1 106831248 CICNYBGRVODDJZ-IOASZLSFSA-N 313.401 3.470 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)cc1 58051260 VRFZBJIQPMQNMG-KGLIPLIRSA-N 317.433 3.274 0 40 DGAB O=C(CNc1ccccc1-n1cccn1)NC1CCCCCC1 55851136 WDZZWHVSAVKWJA-UHFFFAOYSA-N 312.417 3.123 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nc(C)no3)n2)cc1 43752144 MFSDEFPNQZLFKR-SECBINFHSA-N 301.375 3.325 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)o1 56665454 IPAYKMAMYQODLP-WFASDCNBSA-N 323.396 3.272 0 40 DGAB C[C@@H]1[C@@H](NC(=O)COC(=O)/C=C/c2ccccc2)CCC[C@H]1C 107443753 PVLSEVPNNDPNPH-CNVLQQBGSA-N 315.413 3.184 0 40 DGAB O=C(Nc1ccccc1SC(F)(F)F)N1CCOCC1 47863113 DJZDLLWUJSYDFR-UHFFFAOYSA-N 306.309 3.163 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2c2ccncc2)[nH]c2c1C(=O)CCC2 27277941 FWPVHHZBJWNXKS-OAHLLOKOSA-N 323.396 3.214 0 40 DGAB Cc1ccc(NC(=O)NCCCc2nc(CC(C)C)no2)cc1 58050476 PALCLBOXVWRUEI-UHFFFAOYSA-N 316.405 3.331 0 40 DGAB CN(C(=O)c1ccc(S(C)(=O)=O)cc1)C1CCCCCCC1 58151068 DSMCWVGPVSOJJL-UHFFFAOYSA-N 323.458 3.275 0 40 DGAB Cc1nc(C)c(C(=O)N[C@H](C)c2ccc3c(c2)OCCO3)s1 44891435 PAGRRUMZZCSSIV-SECBINFHSA-N 318.398 3.022 0 40 DGAB O=C(Cc1cccs1)Nc1cnn(Cc2ccc(F)cc2)c1 21574308 QMKPDBLZPHFPCW-UHFFFAOYSA-N 315.373 3.313 0 40 DGAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 10396175 WCPSTISHLCYRTJ-GFCCVEGCSA-N 307.733 3.217 0 40 DGAB C/C=C/C(=O)OCc1csc(-c2cccc(OC)c2OC)n1 10733359 MLDHHCUIWIYBCR-GQCTYLIASA-N 319.382 3.447 0 40 DGAB CCCNC(=O)[C@H](C)SCc1nc(-c2ccc(C)cc2)no1 45821381 UKAPZLABFBTBOY-LBPRGKRZSA-N 319.430 3.193 0 40 DGAB C[C@@H](NC(=O)CN(C)Cc1cccc(F)c1)c1cccs1 12897836 FNCAPCIYMJANIV-GFCCVEGCSA-N 306.406 3.196 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccn2C)cc1C 12806062 NXUGRBWNCLULDN-QGZVFWFLSA-N 318.442 3.168 0 40 DGAB COc1cc(C(=O)NCc2ccc(F)cc2)cc(OC)c1C 3474021 XZJKZUCOIORXIW-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB COc1ccc2nc(NC(=O)Cc3c(C)noc3C)sc2c1 8775788 LRGQGPYXNFRGIR-UHFFFAOYSA-N 317.370 3.091 0 40 DGAB O=S(=O)(NC[C@@H]1CCCc2ccccc21)c1cccs1 12975417 HNAJKCPXKQRHGG-ZDUSSCGKSA-N 307.440 3.147 0 40 DGAB CS(=O)(=O)N[C@H](c1ccc(Cl)cc1)c1ccsc1 49336065 IREPQUQHSUQFAX-GFCCVEGCSA-N 301.820 3.040 0 40 DGAB CCn1c(N)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 5020367 GMQPNNZLOSEVHK-UHFFFAOYSA-N 304.353 3.147 0 40 DGAB C[C@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 65603907 KRBAEUTWDUVTER-ZDUSSCGKSA-N 310.401 3.159 0 40 DGAB COc1ccc2oc(=N)c(C(=O)Nc3ccc(C)cc3)cc2c1 4637250 FPNKGDHMQJNQSW-UHFFFAOYSA-N 308.337 3.482 0 40 DGAB C[C@H](NC(=O)N[C@H]1CCc2ccccc2C1)c1nccs1 72268248 LVIDCBRFNGYAJK-FZMZJTMJSA-N 301.415 3.061 0 40 DGAB CC(C)(C)[C@@H](Cc1ccccc1)OC(=O)CCCCNC(N)=O 69379843 VUURRWDLVRAWJR-OAHLLOKOSA-N 320.433 3.026 0 40 DGAB C[C@@H](NC(=O)OCc1ccccc1)c1ccc(-n2cncn2)cc1 69558726 IPESPLJCLZARSM-CQSZACIVSA-N 322.368 3.255 0 40 DGAB Fc1cccc([C@H]2CCN(Cc3nnc(-c4ccco4)o3)C2)c1 69630799 TXPXOIWRTMYMIK-ZDUSSCGKSA-N 313.332 3.458 0 40 DGAB CC(C)COc1ccc(CC(=O)NCc2nccs2)cc1 71883221 CFNQMNMYBBKSFD-UHFFFAOYSA-N 304.415 3.037 0 40 DGAB CNC(=O)c1ccc(OCc2csc(-c3ccoc3)n2)cc1 71888026 DLZBTTNCYIEZET-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB CCN(CC)[C@@H](C)CNc1ncnc2sc3c(c12)CCC3 97261964 LCBKEEXZJTYTMX-NSHDSACASA-N 304.463 3.322 0 40 DGAB CC(C)c1cccc(NC(=O)c2n[nH]c(=O)c3ccccc23)c1 9884537 OSMISQAVYYWZHW-UHFFFAOYSA-N 307.353 3.299 0 40 DGAB O=C(Cc1coc(-c2ccccc2)n1)N[C@H]1COc2ccccc21 84564704 SMQRGYMCDJQQFB-INIZCTEOSA-N 320.348 3.134 0 40 DGAB CC[C@@H](NCc1cnn(C)c1)c1ccccc1Br 95416715 WJQDBSGAHFLCEV-CQSZACIVSA-N 308.223 3.424 0 40 DGAB CC(C)(C)c1nc(CNc2ccc(CC(N)=O)cc2)cs1 98171335 BNHDGJFHJJKILW-UHFFFAOYSA-N 303.431 3.081 0 40 DGAB CC(C)[C@H]1CC[C@H](C)CCN1C(=O)c1nccn2ccnc12 73793624 YDROYEXKJJWADX-UONOGXRCSA-N 300.406 3.016 0 40 DGAB CCOCCO[C@@H](C)C(=O)Nc1c(C)c(C)nc2ccccc12 95943470 QUTKPIONNKVONJ-AWEZNQCLSA-N 316.401 3.232 0 40 DGAB O=C(C[C@H]1CNCCO1)Nc1ccc(SC2CCCC2)cc1 95962143 JGXHIPBIJZSXOX-AWEZNQCLSA-N 320.458 3.038 0 40 DGAB Cc1noc(-c2ccc(C(=O)Nc3cc(F)ccc3O)cc2)n1 75093994 JCDFVTKSBDFTBI-UHFFFAOYSA-N 313.288 3.142 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCCC1CCN(C)CC1 176330029 PDNNUUHDHBLZQR-KRWDZBQOSA-N 318.461 3.001 0 40 DGAB O=C(N[C@H]1CC[C@H](Nc2ccccn2)CC1)c1ccsc1 520439343 LXZXFQZPYPTKPK-HDJSIYSDSA-N 301.415 3.296 0 40 DGAB CCc1cccc(CC)c1NC(=O)N[C@@H](CCO)CSC 77660648 DASBPMURRODCCZ-AWEZNQCLSA-N 310.463 3.047 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc(Cl)cc2)C1=O 36635390 GLIKAWKFBRYZNN-CQSZACIVSA-N 314.772 3.392 0 40 DGAB C[C@@H](NCc1ccco1)c1cc(F)ccc1N1CCN(C)CC1 78553320 WBCWDGWVYPPERP-CQSZACIVSA-N 317.408 3.021 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccsc1)c1ccc(C)cc1 40009923 ZYBIRSZYEJVRAN-CQSZACIVSA-N 303.383 3.091 0 40 DGAB COc1ccc2cc(S(=O)(=O)N[C@H](C)C(C)C)ccc2c1 225233823 MHWHWZFLWZZEHX-GFCCVEGCSA-N 307.415 3.171 0 40 DGAB Cn1cc(CN[C@@H]2CCCNc3ccccc32)c(C(F)(F)F)n1 193039748 QIVGOEPVGFKSRF-CQSZACIVSA-N 324.350 3.476 0 40 DGAB O=C(CCc1ccncc1)Nc1ccc(-c2ccccn2)cn1 96486085 JSCNPBXTZYFTTM-UHFFFAOYSA-N 304.353 3.110 0 40 DGAB C[C@@H](c1cc(Cl)ccc1Cl)N1CCC(NC(N)=O)CC1 95433853 DHNCXNSMEXBICR-VIFPVBQESA-N 316.232 3.187 0 40 DGAB Cc1oc2c(c1C(=O)N1CC[C@@]3(C)C[C@H](O)CC[C@@H]13)CCCC2 257299922 RSEOHHVEEANYJE-NRXGSXMXSA-N 317.429 3.232 0 40 DGAB Cc1ccc(Oc2ccccc2O[C@@H]2CCC[C@@H](N)[C@H]2O)cc1 257277995 OAIGGKTXSCIYLC-ATZDWAIDSA-N 313.397 3.407 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1 252586746 SFKVFPDMRHAPAT-OIISXLGYSA-N 324.428 3.040 0 40 DGAB Cc1nc(CN2CCCC[C@@H]2c2ccn3nccc3n2)cs1 257275310 NOVLXJJFUIUUMI-OAHLLOKOSA-N 313.430 3.221 0 40 DGAB CC(=O)c1ccc(NC(=O)N2CCO[C@H](C(C)(C)C)C2)cc1 279091473 IGHZFJFTAGDBDY-HNNXBMFYSA-N 304.390 3.168 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)c3ccsc3)cc2)C1 96122193 PWFFDQSYWUVCCR-OAHLLOKOSA-N 302.399 3.226 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)CCCc2ccccc2)C1 58316179 IUIGHGUIEIGTOG-GOSISDBHSA-N 302.462 3.246 0 40 DGAB O=C(C1CCCCC1)N1CCC[C@@H]1Cn1nnc2ccccc21 12145303 CPRYDCJDGMBDIA-OAHLLOKOSA-N 312.417 3.003 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](C)Oc1ccccc1OC 15330021 UGEFQLFHGFZFTH-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB Cc1n[nH]c(S/C(=C\c2ccc(OC(C)C)cc2)C(=O)O)n1 16957040 DJHGYVWIXAPUMZ-JYRVWZFOSA-N 319.386 3.118 0 40 DGAB CCc1ccccc1NC(=O)c1ncn(-c2ccc(C)cc2)n1 19910648 HRDNLPXGNMRDAZ-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cn1nccc1-c1ccc(CCNC(=O)c2ccsc2)cc1 1889201558 AQKDLXAVHYMYEH-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB O=C(Nc1ccccc1)N1CCc2nc3ncccc3cc2C1 1890177001 ZWCFJQNZYOVVNW-UHFFFAOYSA-N 304.353 3.220 0 40 DGAB CNC(=O)[C@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCCN1 953030385 KVCXDXZRQKCULY-OAQYLSRUSA-N 322.452 3.463 0 40 DGAB Clc1ccc2oc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)nc2c1 1889133951 JKRJSDUWPVWXQX-VXGBXAGGSA-N 317.820 3.402 0 40 DGAB C[C@H]1CCCCN1CCNc1nc(S)nc2ccccc12 2499685 UZXYPFJZCQUKEU-LBPRGKRZSA-N 302.447 3.205 0 40 DGAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(Cl)cc1 3094723 WHDDBIRDADAIEZ-UHFFFAOYSA-N 306.793 3.285 0 40 DGAB Cc1cc(C)n([C@@H](CNC(=O)c2ccsc2)c2ccco2)n1 575613988 NKJZQEPAZHHQLI-AWEZNQCLSA-N 315.398 3.174 0 40 DGAB c1ccc2c(N3CCC[C@@H](COc4cnccn4)C3)ccnc2c1 2298224359 YKZDQLWKMGTNNV-OAHLLOKOSA-N 320.396 3.320 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2)nn1 40073755 YVCYGYBTJUZQQT-AWEZNQCLSA-N 306.369 3.101 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 40115320 QBMGHVKXZBQGDT-OAHLLOKOSA-N 305.381 3.369 0 40 DGAB CC(=O)c1cccc(NC(=O)CN(C)[C@H]2CCc3ccccc32)c1 29482308 AFWSMSIMHVTUPN-IBGZPJMESA-N 322.408 3.447 0 40 DGAB COc1ccccc1NC(=O)Cn1cc(C=O)c2ccccc21 573933 YJRCRVCDXXUREA-UHFFFAOYSA-N 308.337 3.101 0 40 DGAB COc1ccc(CNC(=O)c2csc3c2CC[C@@H](C)C3)cn1 32873804 AIYOTHRPELPRNL-LLVKDONJSA-N 316.426 3.207 0 40 DGAB O=c1[nH]c(CN2CCCCCC2)nc2sc3c(c12)CCCC3 6594029 UITNNTDCZDXBJT-UHFFFAOYSA-N 317.458 3.239 0 40 DGAB O=C(COCc1cc(-c2cccs2)on1)NC1CCCCC1 6876496 SJYINCGJOTTZDH-UHFFFAOYSA-N 320.414 3.369 0 40 DGAB Cc1ccc(-c2nnn(CCOc3ccccc3Cl)n2)cc1 7778668 SXFBVCPEVXEENO-UHFFFAOYSA-N 314.776 3.381 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 33183825 IHHDJMZXHYMRQB-STQMWFEESA-N 315.442 3.443 0 40 DGAB COc1cc(S(=O)(=O)NC2CCCCCCC2)ccc1F 8049262 UGOUDKPYLNMPJP-UHFFFAOYSA-N 315.410 3.226 0 40 DGAB Cc1ccc(OCCOCCN2CCc3ccccc3C2)cc1 8753001 YHFONLKFIHBUBW-UHFFFAOYSA-N 311.425 3.449 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1cc(C)ccc1F 504175 QQTAJJMJZLCTKJ-MRXNPFEDSA-N 317.316 3.432 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccc(Cl)cc1 500675 WSHVUPRRAMSSSS-INIZCTEOSA-N 316.788 3.383 0 40 DGAB CC[C@H](NC(=O)CN1CCCCCC1=O)c1ccc(Cl)cc1 22491613 QOFUZSAJZBDBOT-HNNXBMFYSA-N 322.836 3.310 0 40 DGAB Cc1nnc([C@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)o1 75838816 HPKGFYAOFWMJQR-BLLLJJGKSA-N 300.406 3.342 0 40 DGAB CCCN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@H]1c1ccccc1 9280553 HQGZKJJMEITQCG-IAGOWNOFSA-N 309.365 3.462 0 40 DGAB CN(CCCNC(=O)CCc1ccc(F)cc1)c1ccccc1 52840944 IVAQOXBMARBVGE-UHFFFAOYSA-N 314.404 3.401 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)no1 1392406 PIIYZQZFHGWTAB-UHFFFAOYSA-N 304.305 3.138 0 40 DGAB COc1ccc(NC(=O)N(C)Cc2ccsc2)c(OC)c1 43330485 IILPMMVNNIZYBE-UHFFFAOYSA-N 306.387 3.429 0 40 DGAB COc1ccc(OC)c(C(=S)NCCc2ccccc2)c1 1443831 QYSKTQLWYIMVED-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2cccs2)C1 56168239 VYHWMLKFAZQURS-HOCLYGCPSA-N 314.454 3.242 0 40 DGAB Cc1nccc(CNC(=O)NC2CCC(c3ccccc3)CC2)n1 56472427 VILCGTQJASXKCK-UHFFFAOYSA-N 324.428 3.311 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 109025226 WCIQUPLJLMIALB-XEZPLFJOSA-N 317.385 3.003 0 40 DGAB CC(=O)NCCc1ccc(C(=O)CSc2ccccc2)s1 57681080 CXMZOBOUTVPNID-UHFFFAOYSA-N 319.451 3.402 0 40 DGAB CC(C)[C@H](C)N(C)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 27186594 GOZWZWNMDAIMAI-GMMCIKNFSA-N 314.429 3.095 0 40 DGAB Cc1ccc(NC(=O)C(C)C)cc1NC(=O)N1CCSCC1 48255164 AVHGHPHWWLTBMV-UHFFFAOYSA-N 321.446 3.170 0 40 DGAB Cc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1 10222072 IHLVXUODFHMOPA-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccncc3)o2)cc1 23055355 RWEQOASIMJSKTE-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1cccnc1NC(=O)NCCNc1ccc2ccccc2n1 58209884 KZCPRMMENCTSRR-UHFFFAOYSA-N 321.384 3.172 0 40 DGAB Cc1ccc(C(=O)N[C@H](C(=O)NCc2ccccc2)C(C)C)cc1 3355234 KVWAYFUYROIRSR-SFHVURJKSA-N 324.424 3.066 0 40 DGAB O=C(Nc1cccc(F)c1)N(C[C@H]1CCCO1)C[C@H]1CCCO1 58394025 ZXYBIAVXZUDPEU-HZPDHXFCSA-N 322.380 3.018 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1cccc(C(F)(F)F)c1 3309108 MHDXZSCOAXPJKK-UHFFFAOYSA-N 314.288 3.118 0 40 DGAB CCCSc1nc(=O)n(Cc2ccccc2)c2c1CCC2 28286766 SPDCGDKWWPPOIL-UHFFFAOYSA-N 300.427 3.282 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc(-n3cccn3)c2)s1 48354242 QCPMTWITOLCRDT-UHFFFAOYSA-N 319.411 3.043 0 40 DGAB COCc1ccc(C(=O)NCCc2cccc3cccnc23)cc1 12893464 NEXLQGNXJUDTFT-UHFFFAOYSA-N 320.392 3.354 0 40 DGAB O=C(CN1CCSC1=O)Nc1ccc(Cl)cc1Cl 12985543 WFRBUMGEPJVOIA-UHFFFAOYSA-N 305.186 3.101 0 40 DGAB Cc1nc(CNCc2ccc(NC(=O)NC(C)C)cc2)cs1 48784939 HEYLULJYLASMKO-UHFFFAOYSA-N 318.446 3.271 0 40 DGAB O=C(CCC(=O)c1ccc(Cl)cc1)O[C@@H]1CCCCC1=O 6078542 PYFIQHDTLSPYCV-OAHLLOKOSA-N 308.761 3.358 0 40 DGAB O=C(/C=C/c1cscn1)N[C@H]1CCC[C@@H](C(F)(F)F)C1 65095582 GTCHCQOZRWBHFI-CFUOYWMPSA-N 304.337 3.394 0 40 DGAB C[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2CC=CC[C@H]2C1=O 4437057 LJIZIHBURVFNLK-WQVCFCJDSA-N 308.381 3.050 0 40 DGAB biogenic Cc1ccc([C@H](NC(=O)c2cnccn2)c2ccccc2)cc1 14095794 HWEBEBSDXRZTHG-GOSISDBHSA-N 303.365 3.304 0 40 DGAB Cc1nnc2ccc(C(=O)N[C@H](C)c3cc4ccccc4o3)cn12 65589171 MUXMYUGBHQIXJR-LLVKDONJSA-N 320.352 3.275 0 40 DGAB Cc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)cc1 5562243 BKGQMENNBPEZMI-INIZCTEOSA-N 323.323 3.416 0 40 DGAB O[C@@]1(CNc2ncnc3ccc(F)cc23)CCc2ccccc21 92688000 HFJQDMLMFOMPCD-GOSISDBHSA-N 309.344 3.015 0 40 DGAB COc1cccc(C(=O)Nc2nnc(SC(C)C)s2)c1 4723903 GEAMHXKSRBTPAD-UHFFFAOYSA-N 309.416 3.300 0 40 DGAB Cc1ccc(F)c2c1N(C(=O)Cc1c(C)nn(C)c1C)CCC2 66787216 BRYBBTKUQLEQIT-UHFFFAOYSA-N 315.392 3.006 0 40 DGAB COc1ccc(-c2ccc(CNC(C)(C)CO)o2)cc1Cl 6883163 XGZPJNZQBPBJPR-UHFFFAOYSA-N 309.793 3.469 0 40 DGAB Cc1cccc(NC(=O)COc2ccc(/C=C/[N+](=O)[O-])cc2)c1 409007342 NXUWMXQUYUIYJR-MDZDMXLPSA-N 312.325 3.260 0 40 DGAB CCN(CC)C(=S)SCC(=O)Nc1ccc2c(c1)CCC2 5987977 VNGZWKNCNNSJJP-UHFFFAOYSA-N 322.499 3.474 0 40 DGAB O=C(O[C@@H]1CCCCC1=O)c1csc(-c2ccccc2)n1 7162042 PYPDSFQBJWJJLW-CQSZACIVSA-N 301.367 3.479 0 40 DGAB C[C@H](NC(=O)CN1CCCCCC1)c1cc2ccccc2o1 7339648 OIADFEDNJNQHDR-AWEZNQCLSA-N 300.402 3.486 0 40 DGAB CNC(=O)Nc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 67902617 YZLARVLSCHQBBH-UHFFFAOYSA-N 317.776 3.273 0 40 DGAB Cc1ccc(CN2CCC[C@H](c3nnc4n3CCC4)C2)c(C)c1 93134199 KTRCZUMCYJQWIX-KRWDZBQOSA-N 310.445 3.221 0 40 DGAB COC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 16749711 ISFVHXHNZGXNCC-UHFFFAOYSA-N 308.337 3.335 0 40 DGAB CSc1ccc(NC(=O)NC2CCN(C)CC2)cc1Cl 78988707 GLLQOHKYMRCQQC-UHFFFAOYSA-N 313.854 3.278 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1cnn(-c2ccccc2Cl)c1 71882879 KMGCOBZJJABGEC-LBPRGKRZSA-N 305.765 3.033 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCc2ccc(F)cc21 71844040 PLILOBVWCMGKMB-GUYCJALGSA-N 320.408 3.493 0 40 DGAB CCC[C@H](C)NC(=O)Nc1cccc(NC(=O)OCCOC)c1 71826634 FJNFJWUDYSEPJX-LBPRGKRZSA-N 323.393 3.192 0 40 DGAB Cc1oc(-c2ccsc2)nc1COc1ccc(C(N)=O)cc1 84056851 HHIUAMLGBUWDPO-UHFFFAOYSA-N 314.366 3.389 0 40 DGAB CCN(CCO)Cc1cn[nH]c1-c1ccc(Cl)cc1Cl 9851515 VCCNLYMMDBRVPR-UHFFFAOYSA-N 314.216 3.198 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NC[C@@H](O)c1ccco1 95419741 YYMOHOUTQOEVLE-DGCLKSJQSA-N 302.399 3.144 0 40 DGAB O=C(Cc1cccnc1)Nc1cc(-c2ccc(Cl)s2)[nH]n1 95441606 LSEZLMKDLDRVGE-UHFFFAOYSA-N 318.789 3.368 0 40 DGAB C[C@H]1CCC[C@H](C)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 95961370 QOFVXUYZARLGQV-STQMWFEESA-N 319.836 3.358 0 40 DGAB CSC[C@H](CCO)NCc1ccc(Cl)c2cccnc12 89493436 HLODNHMYSIDFBN-LBPRGKRZSA-N 310.850 3.092 0 40 DGAB c1ccc2oc([C@@H]3CCCN(c4nc(C5CC5)no4)C3)nc2c1 89874906 YKSDFBFRMHPPTL-GFCCVEGCSA-N 310.357 3.472 0 40 DGAB O=C(Nn1cc(Br)cn1)c1cc2ccccc2s1 89873089 ICHOYTUQZVCHFX-UHFFFAOYSA-N 322.187 3.244 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)Cc2nnc(C3CC3)n2C2CC2)C1 110713283 QDJWUWUTMVULIQ-ZIAGYGMSSA-N 306.479 3.206 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N(C)C)nc2)cc1-n1cccc1 30117941 GZJZAKDFKVOUED-UHFFFAOYSA-N 320.396 3.499 0 40 DGAB O=C(/C=C\c1ccccc1)NC(=S)Nc1ccc(F)cc1 32204035 VHLNWJDRBTVKSI-WDZFZDKYSA-N 300.358 3.352 0 40 DGAB COc1cccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)c1 72322125 PROZJCRFRDNNDS-KRWDZBQOSA-N 313.401 3.011 0 40 DGAB biogenic,in-vitro CCOc1ccccc1[C@H](C)OC(=O)[C@H]1C[C@@H]1c1cnn(C)c1 78556587 UGMFOGONHADQEZ-MAZHCROVSA-N 314.385 3.227 0 40 DGAB COc1cccc(N2CCN(Cc3sc(C)nc3C)CC2)c1 172732202 XEASBSFWWMAWEV-UHFFFAOYSA-N 317.458 3.091 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC(C)(C)C 222902311 CFXJTBGRTHFJEV-ZDUSSCGKSA-N 322.424 3.258 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N(C)Cc2ccc(C)cc2)c1 44902602 VHWCUVHLXXBCRI-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB COc1cc(N)ccc1-c1ccc(C(=O)N2CCC[C@@H](C)C2)o1 226304597 JSWWLQZUQGEJLY-GFCCVEGCSA-N 314.385 3.410 0 40 DGAB C[C@H]1CCN(c2ncnc3nc(N)ccc23)[C@@H](c2ccco2)C1 195551509 BUSQIXYUBXNQQD-WCQYABFASA-N 309.373 3.178 0 40 DGAB COc1cccc(O[C@H](Cc2ccc(C)cc2C)C(=O)O)c1 225026110 AMOKDCVSHFVYHK-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB Fc1ccccc1CSCCNC(=S)Nc1ccncc1 225414775 KTLLENMZZLUMKA-UHFFFAOYSA-N 321.446 3.441 0 40 DGAB O=C(NCC[C@H](O)c1ccco1)NCc1cccc2ccccc12 77112961 JHWULUBSZOSIFT-KRWDZBQOSA-N 324.380 3.356 0 40 DGAB COc1ccc2oc([C@@H](C)N[C@@H](C)C(=O)NC3CC3)c(C)c2c1 97374477 QUEWSFOEFWUZBN-NEPJUHHUSA-N 316.401 3.068 0 40 DGAB CCC(=O)Nc1nnc(CCOc2ccc(CC)cc2)s1 95116390 LRMZCMDMVWXTPH-UHFFFAOYSA-N 305.403 3.071 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 579623196 BWQIHPWTHJYRPZ-GOEBONIOSA-N 315.344 3.244 0 40 DGAB CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1cnn(CC)c1 96415627 QSJZZOFBPDKAEF-ZDUSSCGKSA-N 307.781 3.143 0 40 DGAB CC(C)(C(=O)NC[C@H](O)c1ccccc1F)c1cccc(F)c1 96461808 OOPSMVZKODTYLK-INIZCTEOSA-N 319.351 3.092 0 40 DGAB COc1csc(C(=O)Nc2ccnn2Cc2ccsc2)c1 96446270 VMSYRIGZXOVJCM-UHFFFAOYSA-N 319.411 3.315 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)[C@H]3C[C@H]4C=C[C@H]3C43CC3)ccc21 247963886 WLBAITHMZRNXLG-HYVNUMGLSA-N 322.408 3.136 0 40 DGAB O=C1OC2(CCCCC2)CN1c1cc([C@@H]2CCCNC2)ccn1 257263200 LOVXIFDQUHRPRB-OAHLLOKOSA-N 315.417 3.208 0 40 DGAB COCCN1CCCC[C@@H]1c1csc(Nc2ccccn2)n1 257301254 RXRIFQXDUZEBCI-CQSZACIVSA-N 318.446 3.455 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1 260658778 IXVKXGVBCOPREZ-SLEUVZQESA-N 318.442 3.257 0 40 DGAB Cc1cccc(O[C@@H]2CCC[C@H](NCc3ccccc3)[C@H]2O)c1 585288842 KDUMLWVKUXAUIO-XUVXKRRUSA-N 311.425 3.446 0 40 DGAB Cc1c(C(=O)N[C@@H](C)CCc2ccco2)[nH]c2c1C(=O)CCC2 48236694 QRGONGQEVBJTLU-NSHDSACASA-N 314.385 3.186 0 40 DGAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@@H]1CCc1ccccc1 57307013 DQRHDBQOUKRSRD-MRXNPFEDSA-N 320.396 3.195 0 40 DGAB Cc1ccn2ncc(C(=O)N3CC[C@H](C)c4ccccc43)c2n1 68670430 LQZMWPJOXSKXKI-LBPRGKRZSA-N 306.369 3.192 0 40 DGAB Cc1cn2nc(N3CC=C(c4ccc(O)cc4)CC3)sc2n1 69565498 GSESOCHKGYWZAV-UHFFFAOYSA-N 312.398 3.099 0 40 DGAB CCC1(CNC(=O)c2ccccc2N(C)C(=O)C2CC2)CCC1 75108254 DFROPNAMMHHGSH-UHFFFAOYSA-N 314.429 3.370 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2)n(C(C)C)n1 11027457 ZSFGYSYKKVREOZ-UHFFFAOYSA-N 307.781 3.443 0 40 DGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NC1CCCC1 11694334 GUCPKEPHQCLFDO-UHFFFAOYSA-N 317.364 3.083 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(C)cc2)cc1OC 18895731 ITDHLOZIGSUWQL-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB Cc1cc(O)ccc1NC(=O)[C@@H]1CCCN1Cc1ccccc1 154048622 QAMCSKDINBIQET-SFHVURJKSA-N 310.397 3.304 0 40 DGAB CC(C)(C)c1cc(Nc2ccc(C(N)=O)cc2)nc(C2CC2)n1 1888929661 KSUUCKYHZWYVTJ-UHFFFAOYSA-N 310.401 3.494 0 40 DGAB C[C@@H](Sc1ncnc2ccsc12)C(=O)NC1CCCC1 22004735 SYINAABTGKYXMU-SECBINFHSA-N 307.444 3.231 0 40 DGAB C[C@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1cccs1 24427772 UGURTDXKRJQUBP-VIFPVBQESA-N 321.352 3.253 0 40 DGAB Cn1nc(-c2cccs2)cc1CNC(=O)/C=C/c1ccco1 1775966679 TXCDHWWZWDMVCI-VOTSOKGWSA-N 313.382 3.071 0 40 DGAB CC(=O)c1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 5943958 JJTKZJFWSZEELO-UHFFFAOYSA-N 320.348 3.295 0 40 DGAB Cn1ccnc1[C@@H](NCc1ccsc1)c1ccc(F)cc1 30645077 CHBHKOMVGGFDDK-HNNXBMFYSA-N 301.390 3.500 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc(N2CCCC2)nc1 20373738 GCUIBEOONFSSFU-UHFFFAOYSA-N 320.396 3.344 0 40 DGAB CCCCCC(=O)Nc1ccc(N2CCN(C)CC2)cc1C 31484053 ZKENIMJWBLVDQQ-UHFFFAOYSA-N 303.450 3.266 0 40 DGAB CCOc1ccc([C@H]2CCCN2C(=O)Nc2nncs2)cc1 40525246 OSNFCAMITOZVSN-CYBMUJFWSA-N 318.402 3.306 0 40 DGAB C[C@H]1CCC[C@@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 239729 LJHBSECKCFHWQS-WMLDXEAASA-N 304.409 3.162 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(C(F)(F)F)cc1 101474242 UCVNVGZSQIZSQX-BETUJISGSA-N 309.287 3.157 0 40 DGAB Cc1c(C(=O)N[C@H](c2cccs2)C2CCCC2)cnn1C 32397573 PSLDDNZYQPAZMM-HNNXBMFYSA-N 303.431 3.451 0 40 DGAB CC(C)=CCC[C@]1(C)OC(=O)N(Cc2ccccn2)[C@]1(C)O 49471 LKGKYSMQYXQABD-DLBZAZTESA-N 304.390 3.247 0 40 DGAB Cn1c(=O)oc2cc(NC(=O)[C@@H]3CCCc4ccccc43)ccc21 69451817 LEJNRGOMPIGJRD-OAHLLOKOSA-N 322.364 3.190 0 40 DGAB CC(=O)N(C)C1(C(=O)Nc2c(C)cccc2C)CCCCC1 354041 UCNBGWNLCYTBTO-UHFFFAOYSA-N 302.418 3.423 0 40 DGAB O=C(NCc1ccco1)N1CCSC[C@H]1c1ccccc1 75613239 DCKPRAPXFBPRNO-HNNXBMFYSA-N 302.399 3.279 0 40 DGAB Cn1ncc2c(N3CCC[C@@H]3c3ccc(Cl)cc3)ncnc21 32779310 PCXKCMUMJRVDGM-CQSZACIVSA-N 313.792 3.358 0 40 DGAB CC(C)[C@@H](C)NC(=O)COC(=O)c1cc2c(s1)CCCCC2 3552969 MMEMUNUPANBGJI-GFCCVEGCSA-N 323.458 3.335 0 40 DGAB CCOC(=O)c1cnn(-c2cc(C)c3cc(C)cc(C)c3n2)c1N 4058040 CIPZKXYCHHRRPE-UHFFFAOYSA-N 324.384 3.105 0 40 DGAB Cn1ncc2c(N3CCC[C@@H]3c3ccccc3Cl)ncnc21 52486415 XSPSVTIJGVRVBY-CQSZACIVSA-N 313.792 3.358 0 40 DGAB Cc1cc(C)nc(NCCNc2ccc(C(F)(F)F)cn2)n1 32825002 FUELUPGXWFJCNW-UHFFFAOYSA-N 311.311 3.031 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)NCCC(C)C)n2)cc1 4921080 YHNDKYZLVDXAEZ-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1cccs1 6905509 KMCZPVKGSORVGA-SOFGYWHQSA-N 316.382 3.367 0 40 DGAB CC(C)[C@H](c1ccccc1Cl)N(C)C(=O)CCn1cncn1 69869302 LCAMBQRYVAGDQV-MRXNPFEDSA-N 320.824 3.177 0 40 DGAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(s1)CCCCC2 21937720 YFSSUNFGHMIBHZ-UHFFFAOYSA-N 322.474 3.004 0 40 DGAB CN(CC(C)(C)O)C(=O)/C=C/c1c(Cl)cccc1Cl 76093189 HJNZJQXJHYIGGQ-BQYQJAHWSA-N 302.201 3.236 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1cccs1 22131918 ZWTWXTJMQNFIDE-CQSZACIVSA-N 303.431 3.005 0 40 DGAB C[C@H](NC(=O)C[C@H]1CCCO1)c1ccc(C(F)(F)F)cc1 46787058 LSJJBGKRQDYFMP-GXFFZTMASA-N 301.308 3.452 0 40 DGAB CCOc1ccccc1N[C@H]1CC(=O)N(c2ccccc2C)C1=O 101275251 KDELBUZJUCLPFR-HNNXBMFYSA-N 324.380 3.138 0 40 DGAB Cc1nc(CCNC(=O)CCc2ccccc2Cl)cs1 22761703 GUOHBMDDYSVHAA-UHFFFAOYSA-N 308.834 3.396 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCCC2=CCCCC2)c1 20487093 RJSYQOLQJWENCB-CQSZACIVSA-N 303.402 3.469 0 40 DGAB CCc1nnc2n1N=C(c1ccc(OC)cc1)Cc1ccccc1-2 28297205 UNPHVNLKEDPCBU-UHFFFAOYSA-N 318.380 3.325 0 40 DGAB O=C(O)c1cccc2c1CCCN2C(=O)c1ccc(Cl)o1 37584837 CWTZRUYWHPJWBA-UHFFFAOYSA-N 305.717 3.224 0 40 DGAB CCCn1c(CNC[C@@H]2CCN(C3CC3)C2)nc2ccccc21 77290902 XWIOTFLMICSURA-HNNXBMFYSA-N 312.461 3.020 0 40 DGAB Cc1cccn2c(=O)cc(CN(C)[C@@H](C)c3ccccc3)nc12 24685590 WFCXWSLILGBDCQ-HNNXBMFYSA-N 307.397 3.196 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C1CCC1)c1ccc(Cl)cc1 12529357 SDAZPYKDQVBYSB-AWEZNQCLSA-N 303.793 3.079 0 40 DGAB O=C(C1CC1)N1CCC(Nc2nc3ccccc3s2)CC1 43537373 IHHRQYKTPOHLIY-UHFFFAOYSA-N 301.415 3.109 0 40 DGAB NC(=O)[C@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 25482955 RLNUVVMPZNPQKV-CYBMUJFWSA-N 310.275 3.224 0 40 DGAB O=C(Cc1ccccc1)NCCSCc1ccccc1F 10280172 IKGGUFLWDSCJQX-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB COc1cc(CN(C)Cc2ccccn2)c(SC)cc1OC 78869904 ICJDOXAOGIJBBO-UHFFFAOYSA-N 318.442 3.453 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C1CC1)[C@H](C)C(C)C 26669948 VLHLGVFODJHQIK-CQSZACIVSA-N 304.434 3.451 0 40 DGAB O=c1c2ccccc2cnn1Cc1coc(-c2cccc(F)c2)n1 26776883 CKSRRKVUDLVOCX-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB O=C(Cc1cccs1)OCC(=O)c1cc2ccccc2o1 3231941 ISNMINOKGQVTQT-UHFFFAOYSA-N 300.335 3.463 0 40 DGAB Cc1cc(NC(=O)N2CCC(Nc3ccc(F)cc3)CC2)no1 58014411 LWRHRIHKVMFFCD-UHFFFAOYSA-N 318.352 3.231 0 40 DGAB CCn1cc(NC(=O)c2ccc(F)cc2Br)cn1 27918941 NTRNEUUELDLHFH-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB O=C1N/C(=C\c2ccoc2)C(=O)N1Cc1ccc(Cl)cc1 408933681 JYNJQAJCLNQYME-QPEQYQDCSA-N 302.717 3.026 0 40 DGAB Cc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1C 48356558 FFFCJRRMTZCRNR-UHFFFAOYSA-N 302.399 3.422 0 40 DGAB CCCN(C)c1ccc(C(=O)N(C)CCc2ccncc2)cc1 69566225 PZUXYJOQELTGCF-UHFFFAOYSA-N 311.429 3.243 0 40 DGAB CCCC1=NN(C(=O)c2cccc(F)c2)[C@@](O)(C(F)(F)F)C1 409091579 VHSVEGBYCQQIEW-ZDUSSCGKSA-N 318.270 3.079 0 40 DGAB O=C(c1ccccc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 12992498 OSCXONRVGJQEHU-MRXNPFEDSA-N 309.365 3.435 0 40 DGAB Cc1ccc(OCC(=O)Nc2nc3c(s2)CCC3)c(C)c1 13024231 RZXNBJUUEQUNTG-UHFFFAOYSA-N 302.399 3.266 0 40 DGAB COc1ccc(-c2ccc(OC(=O)c3cccs3)nn2)cc1 408526798 BKPBHIPAVIFOPW-UHFFFAOYSA-N 312.350 3.433 0 40 DGAB Oc1ccccc1N1CCN(c2nc3ccccc3s2)CC1 13736411 JYHRLECLGKOLSO-UHFFFAOYSA-N 311.410 3.329 0 40 DGAB CC[C@@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(N)=O)C1 6119384 HZGDXAJGKYUGOH-SECBINFHSA-N 308.447 3.347 0 40 DGAB COc1cccc(CN2Cc3cc(Cl)ccc3OCC2=O)c1 65184371 GIZZSNDZXRATRI-UHFFFAOYSA-N 317.772 3.270 0 40 DGAB CCN(C(=O)CSc1nnc(-c2ccc[nH]2)o1)C1=CCCC1 18367530 INOGYBZOSXLHBU-UHFFFAOYSA-N 318.402 3.073 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)COc2ccc(C)cc2)c1 9314887 FELNFNDKPRHHGH-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=C(Nc1ccccc1)N(Cc1ccncc1)C[C@@H]1CCCO1 6399682 AYJXLSGIGSJQQY-KRWDZBQOSA-N 311.385 3.295 0 40 DGAB Cc1ccccc1OCC(=O)OCC(=O)c1c[nH]c2ccccc12 6302946 WSRMPMGVNBSSJM-UHFFFAOYSA-N 323.348 3.281 0 40 DGAB O=c1c(Cl)c(NC2CC2)cnn1C12CC3CC(CC(C3)C1)C2 4476463 BAOUCRCYFKVVER-UHFFFAOYSA-N 319.836 3.396 0 40 DGAB CN1C(=O)/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)NC1=S 6452014 WRMANMARQQITMB-WQLSENKSSA-N 318.785 3.287 0 40 DGAB O=C(NC1CCCC1)c1cccc(OCc2cscn2)c1 14118337 KBTUXIYSNCNSKP-UHFFFAOYSA-N 302.399 3.395 0 40 DGAB Cn1ccnc1[C@H](NC(=O)NC1CCCCC1)c1ccccc1 65607606 NKZFIMPBUVPRMO-MRXNPFEDSA-N 312.417 3.141 0 40 DGAB CC1CCN(C(=O)/C=C/c2cc(Cl)c3c(c2)OCCO3)CC1 19173677 HFDSXDUPXVHPLM-NSCUHMNNSA-N 321.804 3.383 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2cc(OC)cc(OC)c2)c1 5681983 GUGUWKVLECDWDW-BQYQJAHWSA-N 313.353 3.364 0 40 DGAB CC(C)C(=O)N1CCCN(C(=O)Nc2ccc(Cl)cc2)CC1 66454711 WPYUBQAVJDZTOP-UHFFFAOYSA-N 323.824 3.062 0 40 DGAB Cc1cccc(C(=O)O)c1NC(=O)COc1ccc(Cl)cc1 5943031 RIHVZACGWQSWAH-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1ccc(C(=O)[C@H](C)Sc2nnc(C3CC3)n2C)cc1 7235363 ZPNWJMIBVABLEH-NSHDSACASA-N 301.415 3.364 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccsc2)cc1 7408456 VZFNNURQTRSBCE-UHFFFAOYSA-N 316.426 3.411 0 40 DGAB CNC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)c1ccc(C)cc1 71289401 BYKHLXYLVIQDNM-UHFFFAOYSA-N 321.380 3.397 0 40 DGAB C[C@@H](c1cccnc1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 68294832 JGAVGGSVFFKJER-ZDUSSCGKSA-N 306.369 3.305 0 40 DGAB COc1ccc(C(=O)NCCSc2ccc(Cl)cc2)cn1 16234685 OBBIJANDPGGJTK-UHFFFAOYSA-N 322.817 3.266 0 40 DGAB Nc1nc(-c2ccccc2)cn1NC(=O)Nc1ccc(F)cc1 8216055 KPOIWWOTQKRROS-UHFFFAOYSA-N 311.320 3.047 0 40 DGAB COc1ccc(OC)c(COC(=O)c2cccnc2SC)c1 8209708 IMHKVTJWAVKJHH-UHFFFAOYSA-N 319.382 3.178 0 40 DGAB O=C(CN1CCC[C@@H]1c1cccs1)NCc1ccc(F)cc1 8320630 AVVKEGNGNISMCE-OAHLLOKOSA-N 318.417 3.341 0 40 DGAB COc1ccccc1CN1CCN([C@H]2CCC[C@@H](C)C2)CC1 19842118 IMJWQTVSBYSWEY-AEFFLSMTSA-N 302.462 3.392 0 40 DGAB Cc1csc([C@H](C)NC(=O)N2CCS[C@H](C(C)C)C2)n1 96439751 DVTSJENEBPXPRW-RYUDHWBXSA-N 313.492 3.296 0 40 DGAB O=C(/C=C/c1ccsc1)N1CC[C@H](CN2CCCCC2)C1 72297639 WGVKFXLYFVSJQB-DWTRPJMMSA-N 304.459 3.096 0 40 DGAB C[C@@H]1CN(c2nc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 9535207 DZQKIMHWWJRWQV-NXEZZACHSA-N 311.307 3.262 0 40 DGAB CCN(CC)CCSCc1cc(=O)oc2c(C)c(O)ccc12 72300654 VTSOCYHCHBKBHJ-UHFFFAOYSA-N 321.442 3.382 0 40 DGAB Cc1nnc(CNc2ccc(F)cc2OC2CCCC2)n1C 97233504 JKGDACXFMGXNLS-UHFFFAOYSA-N 304.369 3.196 0 40 DGAB COc1ccc(CCN[C@H](C)c2cccc(O)c2)cc1OC 95349336 QGJZFVUGIPYSDQ-CYBMUJFWSA-N 301.386 3.303 0 40 DGAB CNC(=O)c1ccc(CN(C)[C@@H](C)c2ncc(C(C)(C)C)o2)o1 95406522 HVFZRKSFEWCPAE-NSHDSACASA-N 319.405 3.118 0 40 DGAB Cc1c(NCC(C)(C)C)cccc1C(=O)N[C@@H]1C=C[C@H](CO)C1 95410974 TZRIISIMWPTTKS-LSDHHAIUSA-N 316.445 3.120 0 40 DGAB FC(F)(F)[C@H](Cc1ccncc1)NC[C@@H]1Cc2ccccc2O1 95419704 SDQIXHZZIPBAFI-HOCLYGCPSA-N 322.330 3.148 0 40 DGAB CCOc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 20111721 IMXJAWDNMRVCEW-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB CC(C)c1nc(N(C)C)nc(N2C[C@@H](C)[C@H]2c2ccccc2)n1 95981600 VYUGGJDZSWQGNT-HIFRSBDPSA-N 311.433 3.258 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCC[C@@H]1Cc1ccco1 95947377 HWANJUQKSBIAOP-RHSMWYFYSA-N 316.401 3.345 0 40 DGAB CN(C(=O)c1ccc(O)nn1)C1c2ccccc2-c2ccccc21 75092570 SUWBJICUWJVCHB-UHFFFAOYSA-N 317.348 3.024 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2cccs2)c(=O)[nH]1 75118266 WNPCRCWNNIOWPV-MRXNPFEDSA-N 324.405 3.264 0 40 DGAB Cc1cccc(CNC2CCN(CCc3ccncc3)CC2)c1C 89686433 XHBPSNBHKIVYID-UHFFFAOYSA-N 323.484 3.495 0 40 DGAB O=C(c1[nH]nc2c1CCCC2)N1CCC[C@H](Nc2ccccc2)C1 89845683 JBEVENZFRAHWNC-HNNXBMFYSA-N 324.428 3.005 0 40 DGAB O=C(NC[C@@H]1CCCS1)c1ccc(Br)s1 89800112 IDMXHUAFWKYOSV-ZETCQYMHSA-N 306.250 3.136 0 40 DGAB CC(=O)N1[C@H](C(=O)O)Cc2c([nH]c3ccccc23)[C@@H]1CC(C)C 1505840738 YDIFCVPDLGJGPX-HOTGVXAUSA-N 314.385 3.113 0 40 DGAB Cn1nccc1CCN1CCC(Cc2ccc(F)c(F)c2)CC1 549390822 GQTORNGLCXPCNN-UHFFFAOYSA-N 319.399 3.196 0 40 DGAB Cc1cc(NC(=O)COc2cccnc2Cl)n(C(C)(C)C)n1 77494481 BRJPNUGGMYBCJE-UHFFFAOYSA-N 322.796 3.012 0 40 DGAB Clc1cccc(Cl)c1N(C1=NCCN1)[C@@H]1CCCCO1 31297748 NYQGJEQCYOJBPV-LBPRGKRZSA-N 314.216 3.286 0 40 DGAB in-man O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccccn1 71283417 HZBJOPWKZYDOMD-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CC(=O)N1CCc2ccccc2[C@H]1[C@H]1NCCc2ccccc21 31750749 AVKSIFQMKNTASD-PMACEKPBSA-N 306.409 3.019 0 40 DGAB CCCO[C@H]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 78671162 ZGHVWJZZCVSFAU-WCQYABFASA-N 308.249 3.378 0 40 DGAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1cccc(Cl)c1 38488352 DOVVHKWEYKCOSH-SNVBAGLBSA-N 303.749 3.121 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](Cc2ccc3ncccc3c2)C1 72368239 HPSHAJNROYSAJB-MRXNPFEDSA-N 317.392 3.335 0 40 DGAB Cc1c(C(=O)O)c(C(F)(F)F)nn1Cc1ccc(F)cc1 44831535 KAKZBVDBFOMYAV-UHFFFAOYSA-N 302.227 3.096 0 40 DGAB Cc1csc(-c2ccc(NC(=O)N3CCO[C@H](C)C3)cc2)n1 78394975 KVAWREPLVOMWHI-GFCCVEGCSA-N 317.414 3.371 0 40 DGAB Fc1ccc(CN2CC[C@H](c3nc4ncccc4[nH]3)C2)cc1F 49168795 QXTXTQUZJZTNHP-LBPRGKRZSA-N 314.339 3.226 0 40 DGAB biogenic,in-vitro Cc1cccc(O[C@H]2CCCC[C@H]2NC(=O)c2ccon2)c1 133591864 YZVQNYIBNUTMIR-ZBFHGGJFSA-N 300.358 3.103 0 40 DGAB Cc1c([C@@H]2CCCN2CCC(=O)c2ccc(F)cc2)cnn1C 195552570 WQVBIXDVAGLCQC-KRWDZBQOSA-N 315.392 3.278 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NC(C)(C)C 223717453 NIMKAXJVAVLLBU-MRXNPFEDSA-N 318.461 3.161 0 40 DGAB O=Cc1cn(Cc2nc(O)c3ccccc3n2)c2ccccc12 321612658 MVJQVEBIKIJYIH-UHFFFAOYSA-N 303.321 3.151 0 40 DGAB CCCc1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 46087171 GRFVQJDQVCFYDQ-NSHDSACASA-N 305.403 3.103 0 40 DGAB COCCCOc1cccc(C(=O)Nc2ccncc2C)c1 96426445 WJHSEQWQXFBCKY-UHFFFAOYSA-N 300.358 3.058 0 40 DGAB Cc1ncsc1CN(CC(=O)O)Cc1ccc(Cl)cc1 580085235 OOFJUQQPNSARFU-UHFFFAOYSA-N 310.806 3.192 0 40 DGAB O=C(N[C@@H]1C=CCCC1)N[C@@H]1CCO[C@H](c2ccccc2)C1 248948751 ZPCDSGNLZOFZQL-ZACQAIPSSA-N 300.402 3.315 0 40 DGAB C[C@@H](C[C@@H](C)N[C@@H]1CCc2ncnn2C1)SC1CCCC1 585135075 WOGFOGIGIULZOD-HZSPNIEDSA-N 308.495 3.025 0 40 DGAB Cc1cncc(C2CCN(C(=O)Cc3ccc(C)s3)CC2)n1 257327568 XBWFJPZLGXXKCV-UHFFFAOYSA-N 315.442 3.104 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)c(Cl)c1)[C@@H]1CCOC1 252484615 GAOVGPVPAVBKHQ-MRVPVSSYSA-N 323.698 3.256 0 40 DGAB CCc1ccc(-c2nc3ccc(NS(C)(=O)=O)cc3o2)cc1 585655879 QFXSTQRFZFASDD-UHFFFAOYSA-N 316.382 3.429 0 40 DGAB COc1cc(C(=O)c2ccc(F)c(C)c2)cc(OC)c1OC 95917021 VBADBCWNQGPMCX-UHFFFAOYSA-N 304.317 3.391 0 40 DGAB Cc1oncc1C(=O)NCCc1ccc(-c2ccoc2)s1 390829877 HGAASMHJCSCXGT-UHFFFAOYSA-N 302.355 3.277 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1ccnc(-n2ccnc2)c1 48210809 JTUUCRRYQQPTSH-OAHLLOKOSA-N 320.396 3.018 0 40 DGAB Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N[C@H](C)C(C)C 55844615 ZNUSFCVLFPCENX-CQSZACIVSA-N 319.449 3.162 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Cl)c(Br)c1 1083807070 YDWWRUHZJQXCPW-ZANVPECISA-N 318.642 3.006 0 40 DGAB Cc1ncsc1CN1CCC[C@H](O)[C@@H]1Cc1ccccc1F 1615144386 SNRIRZROVHDMQJ-HOTGVXAUSA-N 320.433 3.159 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(C=O)cc2Cl)cc1 5751748 ISJUYQHEKYDGCH-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB O=C(CSc1nccc(O)n1)c1ccc(Cl)cc1Cl 16384902 RRZPNABIUCJVOM-UHFFFAOYSA-N 315.181 3.464 0 40 DGAB CC(C)(C)c1ccc(CN2C(=O)NC3(CCCC3)C2=O)cc1 4547969 DYPQULLHSQJSIH-UHFFFAOYSA-N 300.402 3.349 0 40 DGAB COc1cc([C@@H]2CC(=O)Nc3ccsc32)cc(OC)c1OC 12418693 UXRFCKHUQHHFQC-JTQLQIEISA-N 319.382 3.248 0 40 DGAB COc1cccc(/N=c2\cc(C(=O)O)[nH]c3ccc(C)cc23)c1 21657785 DCURGPIICIOWKW-UHFFFAOYSA-N 308.337 3.416 0 40 DGAB CCOc1ccc(-c2nc(N)ncc2-c2ccccc2)c(O)c1 13127053 FHRLCCBVWMQEFD-UHFFFAOYSA-N 307.353 3.497 0 40 DGAB biogenic NC(=O)[C@@H](OC(=O)c1occc1-c1ccccc1)c1ccccc1 10422645 CIMCCPBYTKLTIE-INIZCTEOSA-N 321.332 3.330 0 40 DGAB CN(C)CC(C)(C)CNC(=O)c1ccc(SC(F)F)cc1 40039572 AWEXHDNMMCTKEL-UHFFFAOYSA-N 316.417 3.319 0 40 DGAB CC(C)N(C)c1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1F 40152960 LYTXNCNFYZTOOX-ZDUSSCGKSA-N 307.413 3.093 0 40 DGAB CN(C(=O)Cc1cn2ccsc2n1)[C@H]1CCc2ccccc21 30978309 ICILIGMKHXLGLO-HNNXBMFYSA-N 311.410 3.084 0 40 DGAB COc1ccc2cc(C(=O)NCCOc3cccc(C)c3)[nH]c2c1 31216426 ZYDQHEHZMILDGC-UHFFFAOYSA-N 324.380 3.294 0 40 DGAB O=S(=O)(NC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(Cl)s1 101351114 AQULQMCRLFLXAW-GUBZILKMSA-N 305.852 3.116 0 40 DGAB O=C(CCn1c(=S)oc2ccccc21)NCc1ccco1 223754 AFFAAHLBLCRUOH-UHFFFAOYSA-N 302.355 3.263 0 40 DGAB biogenic CN(Cc1ccc(Cl)cc1)CN1C(=O)CC2(CCCC2)C1=O 20632579 VWJQCBMVGRPXPI-UHFFFAOYSA-N 320.820 3.049 0 40 DGAB Cn1nc(-c2cccs2)cc1C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2 101726062 MCZAQUZNQVOFJP-AVGNSLFASA-N 313.426 3.091 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(Cn3ccnc3)c2)s1 29668220 LQWOTJRXMVGZDJ-UHFFFAOYSA-N 311.410 3.231 0 40 DGAB O=c1c2ccccc2ncn1-c1cccc(Br)c1 262714 RXVMUOHRYVNNGT-UHFFFAOYSA-N 301.143 3.148 0 40 DGAB O=c1c2ccccc2nnn1COc1ccc(Cl)cc1Cl 2631869 YACZVIJMDDWMBM-UHFFFAOYSA-N 322.151 3.135 0 40 DGAB COCc1cccc(N[C@H](C)C(=O)N(C)Cc2ccccc2)c1 69486380 FFMLCTKVTPPQDD-OAHLLOKOSA-N 312.413 3.292 0 40 DGAB COc1ccccc1C(=O)NCCc1coc(-c2ccccc2)n1 69440942 UZDXGCUMIBTQOJ-UHFFFAOYSA-N 322.364 3.323 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)c2cn3ccc(C)cc3n2)c1 46632367 FADQUKIEULPWKH-UHFFFAOYSA-N 322.368 3.244 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN(Cc1cccs1)C1CC1 32778643 ZNZRALDFYZIBQB-CJNGLKHVSA-N 306.475 3.407 0 40 DGAB CCN(CC)CC[C@@]12C[C@@H](C)OC1=Nc1ccccc1NC2=O 1609117 PYBOAHCWXQSJAD-ACJLOTCBSA-N 315.417 3.196 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1cccc(Cl)c1 3385606 ZYYOQKJFVWSVIE-RISCZKNCSA-N 309.793 3.192 0 40 DGAB COc1cccc(CNC(=O)c2ccccc2OC(F)F)c1 3504485 NOGGQJINQCPQGE-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB CCN1C(=O)S/C(=C\c2ccc(Br)o2)C1=O 6654814 AGEQSTFVVWXIET-ALCCZGGFSA-N 302.149 3.098 0 40 DGAB CC(C)c1ccc(OCC(=O)c2c(O)cc(O)cc2O)cc1 405198 KIACLZSVPCMTEX-UHFFFAOYSA-N 302.326 3.189 0 40 DGAB O=C(NCC(F)(F)F)N1CCCCC[C@@H]1c1ccncc1 46915089 NHCVPKISSXENSK-GFCCVEGCSA-N 301.312 3.271 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C=O)cc2)cc1Cl 10966893 HMZROHLJURROAC-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)COc2ccccc2C)cc1 55694822 HNPBDDWOBRHCEI-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N[C@H](CO)c1ccco1 76069388 BQZNVGOVKODPNI-GFCCVEGCSA-N 324.764 3.187 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cc(F)cc(F)c2)C1 47415967 BSUYUODMVXVPRG-STQMWFEESA-N 310.388 3.063 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 22885669 PDVMVXXIIHEYPD-OAHLLOKOSA-N 316.445 3.364 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)cc2)on1 22911032 HJQHZBFDYGZXHI-QWRGUYRKSA-N 307.781 3.314 0 40 DGAB CN(C)C[C@@H](NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105881575 VZIXRHGIXNWFBT-DZJNRPSUSA-N 300.446 3.232 0 40 DGAB O=c1c2ccsc2ncn1Cc1ccc(F)c2cccnc12 24569487 RAHSHVAVRTWOFH-UHFFFAOYSA-N 311.341 3.194 0 40 DGAB Cc1ccc(NC(=O)CNC2CC(C)(C)NC(C)(C)C2)cc1C 24602376 QTRXIYOBHWXUSQ-UHFFFAOYSA-N 317.477 3.141 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccc(F)cc1)c1ccccc1 12506639 GUGCGBGYOMWDMB-INIZCTEOSA-N 309.344 3.079 0 40 DGAB C[C@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccoc1 55634374 KGNFCSKIFRVLQQ-SNVBAGLBSA-N 313.275 3.496 0 40 DGAB O=C(NCCc1ccsc1)[C@H]1CCCN1Cc1ccccc1 57156070 BZJVITYZDUFJII-QGZVFWFLSA-N 314.454 3.071 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)NC3CC3)cs2)cc1 58174209 DMUSSAHNWBPBTH-UHFFFAOYSA-N 301.415 3.123 0 40 DGAB Cc1ccc(-c2nc3cnccn3c2NC[C@H]2CCCO2)s1 57721461 GPKRMXTWSDGQTA-GFCCVEGCSA-N 314.414 3.357 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCCO[C@@H]2CCC[C@H]21 72286740 QFHDGWITZYSIFQ-HZPDHXFCSA-N 312.369 3.125 0 40 DGAB O=C1CCCC[C@H]1Sc1nnc(-c2ccc3c(c2)OCO3)o1 3305701 FFZKVCFIPQKAME-CYBMUJFWSA-N 318.354 3.069 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@H](C)c2ccc(C)o2)n1 44951305 DEYBXKZNRJXJKH-IAQYHMDHSA-N 318.421 3.098 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N(C1CCCCC1)C1CC1 58415046 BKCQZYOAIYPJHD-UHFFFAOYSA-N 310.401 3.205 0 40 DGAB COc1cccc(NC(=O)[C@H](c2ccccc2)N2CCCC2)c1 3351798 ZMMIFRVJPCCYOV-SFHVURJKSA-N 310.397 3.471 0 40 DGAB CC(C)CCNC(=O)c1c2c(nc3c1cnn3C(C)C)CCC2 36358261 LJNTXJHELRKFAJ-UHFFFAOYSA-N 314.433 3.277 0 40 DGAB Cc1cc(NC(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)no1 10892074 GMRGZMPVRRGCDP-UHFFFAOYSA-N 304.305 3.447 0 40 DGAB Cc1ccc(-n2ncc([C@@H](C)NC(=O)c3cccnc3)c2C)cc1 48342948 XXKSUPXQLBOADJ-CQSZACIVSA-N 320.396 3.375 0 40 DGAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 28786128 GXYLLZYWLDEHEJ-HNNXBMFYSA-N 305.761 3.395 0 40 DGAB CN(c1ccc(O)cc1)S(=O)(=O)c1ccc2ccccc2c1 2561787 QBXIHFBYKBIEOK-UHFFFAOYSA-N 313.378 3.371 0 40 DGAB Cc1coc2cc3oc(=O)c(CC(=O)NC(C)C)c(C)c3cc12 4084487 JVJWAXWHTVWGRJ-UHFFFAOYSA-N 313.353 3.223 0 40 DGAB biogenic O=C1C[C@@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2N1 14047591 MOGZWSMSRXQGOV-CQSZACIVSA-N 304.365 3.091 0 40 DGAB CC(C)N1C(=O)C(=O)N(Cc2ccc(-c3ccccc3)cc2)C1=O 6436231 DYQFDSUOGZBVQV-UHFFFAOYSA-N 322.364 3.053 0 40 DGAB C[C@@H]1CCc2sc3nc(N4CCCC4)n4ncnc4c3c2C1 5533508 MEVPRGWXLXLIOG-SNVBAGLBSA-N 313.430 3.064 0 40 DGAB Cc1noc([C@@H](C)Sc2nnc(Cc3cccs3)o2)n1 66261505 YQKNUUXOCCGTRA-SSDOTTSWSA-N 308.388 3.267 0 40 DGAB O=C(CCC(=O)c1cccs1)N[C@@H]1CCOc2ccccc21 6948251 NXPVOPYLHVYQLJ-CYBMUJFWSA-N 315.394 3.351 0 40 DGAB CN(C)C(C)(C)CNCc1c[nH]nc1-c1cc2ccccc2o1 67183019 ZYMGTYVHOFZOSB-UHFFFAOYSA-N 312.417 3.253 0 40 DGAB CC(C)C(=O)NC1CCN(C(=O)c2sccc2C2CC2)CC1 67164376 YNUFAMXVGQFIRM-UHFFFAOYSA-N 320.458 3.002 0 40 DGAB CCc1c(C(=O)Nc2ccc(C)cc2)cnn1-c1ccccn1 8715212 AOPWOXQZFCJRTI-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cc1cccc(OCC(=O)N[C@@H]2CCOc3ccccc32)c1C 7216446 JOPQBSPLQHEHFS-MRXNPFEDSA-N 311.381 3.322 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1c(C)noc1C 7835915 VOOLWVDIBUVVPM-CYBMUJFWSA-N 316.357 3.092 0 40 DGAB Cc1cc(C)n(Cc2ccc(NC(=O)c3ccncc3)cc2)n1 71185356 OPMGSWKJDDRLJX-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@H]1N(C)C 78894697 OZBWYDQQGBEAPK-ZWNOBZJWSA-N 306.793 3.108 0 40 DGAB COc1cccc(NC(=O)c2cncn2-c2ccc(F)cc2)c1 9317960 QMYIRANKDLCQSQ-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CCCC(=O)N1CC[C@@]2(Cc3ncc(-c4cccs4)n3C2)C1 306135534 OUDYHTXKGSHIHI-QGZVFWFLSA-N 315.442 3.187 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2c1 71796626 UYVYFHXOLJOLBM-HNNXBMFYSA-N 309.369 3.452 0 40 DGAB CC(=O)c1cccc(NC(=O)Nc2nnc(C3CC3)s2)c1 28227114 VDFXOABBJQHGEI-UHFFFAOYSA-N 302.359 3.262 0 40 DGAB NC(=O)c1cc(NC(=O)CCCc2ccccc2)c(F)cc1F 71888770 DGAQPDMHRZICHE-UHFFFAOYSA-N 318.323 3.025 0 40 DGAB O=C(CCc1ccsc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84618478 KQWIWNZSFGPVAR-CYBMUJFWSA-N 317.414 3.305 0 40 DGAB Cc1noc(C)c1[C@H](C)CNC(=O)NC(C)(C)c1nccs1 95434973 QDXFGUGFKINEML-SECBINFHSA-N 322.434 3.086 0 40 DGAB Cn1cnnc1CNCc1ccc(Sc2ccccc2)cc1 95436082 SWOXZQOZTMIFPN-UHFFFAOYSA-N 310.426 3.256 0 40 DGAB Cc1cc(F)cc(N[C@@H](C(N)=O)c2ccc(O)c(Cl)c2)c1 88613693 YMYWWIIUBDWKGN-CQSZACIVSA-N 308.740 3.132 0 40 DGAB O=C(OC[C@H]1CCCO1)c1c(F)cc(Br)cc1F 88805158 JNCUDSKGZVDIOF-MRVPVSSYSA-N 321.117 3.063 0 40 DGAB COc1cccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 36635478 PHVSBZJKHJGDBR-INIZCTEOSA-N 324.380 3.056 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 72227970 CCUIYCTZMBUXPJ-UONOGXRCSA-N 307.180 3.409 0 40 DGAB CC(C)Nc1c(Cl)cccc1NC(=O)c1ccn(C)c(=O)c1 74257947 ZUGWXZJXZCKRFJ-UHFFFAOYSA-N 319.792 3.111 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccccc2F)C1=O 36635500 BTPSXGIDCYZGAY-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB O=C(CCOC[C@H]1CCCO1)NC1(c2cccc(Cl)c2)CC1 76934299 JKABVUPBAQBQRF-OAHLLOKOSA-N 323.820 3.031 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NC(=O)C2=CCCC2)C1 120156260 ZZHGKOKTARCGGP-KBPBESRZSA-N 308.422 3.049 0 40 DGAB C[C@H]1Cc2ccccc2[C@@H]1NC(=O)CCc1ccccc1C(=O)O 539681954 HNIBCOTUVFSQMM-ORAYPTAESA-N 323.392 3.367 0 40 DGAB COCc1ccc(C(=O)Nc2ccnn2-c2ccccc2C)o1 79096487 RIRLKWYQJUTEPA-UHFFFAOYSA-N 311.341 3.172 0 40 DGAB O[C@@H](c1ccc(Br)cc1)c1ccc2c(c1)OCO2 40243389 SZTJOYCHSBJETO-AWEZNQCLSA-N 307.143 3.260 0 40 DGAB CCc1ccccc1NC(=O)Cn1ccc(=O)c2cc(F)ccc21 225749434 PFGLRFBELCSBFR-UHFFFAOYSA-N 324.355 3.342 0 40 DGAB COCCOc1ccc(Cl)cc1C(=O)Nc1cnccc1C 96451254 GYODPNWSGZGPSA-UHFFFAOYSA-N 320.776 3.321 0 40 DGAB CN[C@@H]1CCC[C@@H](Nc2cccc(Oc3ccccc3)c2)[C@@H]1O 257264416 LUGZNLUUIYNZOD-GUDVDZBRSA-N 312.413 3.392 0 40 DGAB COc1cc(CNc2cc(-c3ccccc3C)nn2C)sn1 585118571 UNIDRKLHPJIVOY-UHFFFAOYSA-N 314.414 3.473 0 40 DGAB C[C@@]1(C2CCNCC2)CCCCN(CCc2ccccc2)C1=O 257274965 NNKSYKICURTTEC-FQEVSTJZSA-N 314.473 3.248 0 40 DGAB CC(=O)Nc1nc(C(=O)Nc2ccc(C(C)C)cc2)cs1 31814215 ROJGFUBQSREXCZ-UHFFFAOYSA-N 303.387 3.477 0 40 DGAB Cc1cccc(F)c1C(=O)N1CCC2(CCCCN2C)CC1 585102450 NTQAMTQHLDWQSW-UHFFFAOYSA-N 304.409 3.225 0 40 DGAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2[C@H](C)c1ccccc1 585108873 ALWQVEZPEHXMIG-NJAFHUGGSA-N 300.446 3.469 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2occc2C)cc1 48910167 BDTFZAGYXMNLDH-ZDUSSCGKSA-N 314.385 3.046 0 40 DGAB C[C@H](NC[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)c1cnccn1 90708720 WNVDXZJNJBPBAO-RYRKJORJSA-N 310.445 3.038 0 40 DGAB Clc1snnc1CN1CCC(OCc2ccccc2)CC1 69433096 PHZGXEFIURCQRQ-UHFFFAOYSA-N 323.849 3.373 0 40 DGAB O=C(OCc1ccccc1)N1CCC[C@H]1/C=C/Cn1ccnc1 4025477 BPNMUDGJWOZWLV-IOMDMTNGSA-N 311.385 3.241 0 40 DGAB O=C1CCCC[C@H]1CCS(=O)(=O)c1ccc(Cl)cc1 149689 OIOAWAGTALHADQ-NSHDSACASA-N 300.807 3.263 0 40 DGAB Cc1ccccc1NC(=O)CCCNC(=O)c1ccsc1 12752428 APHZMBIJMHSIDH-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@@H]1CSCN1 19807279 UVIFTBUISCHSKH-HNNXBMFYSA-N 300.383 3.080 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccccc2F)c2ccc(F)cc2N1 21969420 ZWKKMWMZEDCTRI-NSHDSACASA-N 302.280 3.029 0 40 DGAB Cc1cc(OCC2CCN(Cc3csc(C)n3)CC2)ccn1 1775995351 PHWAQSDKYMKNSA-UHFFFAOYSA-N 317.458 3.446 0 40 DGAB Cc1ccc(SCCNc2cn[nH]c(=O)c2Cl)cc1C 40468566 AAXWCFIXCMNQOW-UHFFFAOYSA-N 309.822 3.244 0 40 DGAB Cc1scc(C(=O)N2CCN(Cc3ccccc3)CC2)c1C 20343427 KFCFWKNXUPOAGK-UHFFFAOYSA-N 314.454 3.323 0 40 DGAB CC(C)c1ccc(-c2nn3c(nc2=O)-c2ccccc2NC3)cc1 101523363 WDQHUFDKAMYAFZ-UHFFFAOYSA-N 318.380 3.479 0 40 DGAB CCc1nnc(NC(=O)c2ccc(Br)s2)s1 20988927 OITUWWXGHQDVRI-UHFFFAOYSA-N 318.221 3.177 0 40 DGAB Cc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1Cl 150887 JOSMQPDOYAUXEH-UHFFFAOYSA-N 306.774 3.209 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 32616313 NQNQGCSMIFJJKM-UHFFFAOYSA-N 314.410 3.191 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)c1 2660684 ACAPRHIUNFIELU-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)CCC3)C1 69819589 HJZUIHHYTANELT-SFHVURJKSA-N 309.413 3.158 0 40 DGAB Fc1cc(CN2CCC[C@H]2Cn2cccn2)c2ncccc2c1 71875657 QIVUCWGKSHKMFA-KRWDZBQOSA-N 310.376 3.235 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(F)c(F)c2)C1=O 102399061 CLMONJRCGHTZDH-AWEZNQCLSA-N 316.307 3.017 0 40 DGAB C[C@H]1CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602495 QILXYPLVZBOSOC-AYVTZFPOSA-N 316.311 3.474 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(Cl)cc2)c1C 429535 XBPMJXOMZZJYMA-UHFFFAOYSA-N 304.777 3.418 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@H]1c1cccnc1 6747844 PFBBHRRYNFZGKK-GOSISDBHSA-N 318.380 3.427 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Sc2ncnc3ccsc23)on1 21917145 DMWYWHJPQCHFJA-MRVPVSSYSA-N 320.399 3.107 0 40 DGAB COC(=O)c1ccc(NC(=O)Nc2cc(F)ccc2F)cc1 51354418 VDJSCNDQRHBQHX-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB Cc1cc(-c2csc(N)n2)c(C)n1NC(=O)c1ccccc1 9643452 FGMDOCLMXZNTAC-UHFFFAOYSA-N 312.398 3.195 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccco1 801210 JZLAJRLOXZZLAQ-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB COc1ccccc1[C@@H](C)Nc1ncc(C(N)=O)cc1Cl 54042446 DWDCNZZMZNMWDD-SECBINFHSA-N 305.765 3.016 0 40 DGAB C[C@@H]1C[C@@H](C)CN([C@H](C)C(=O)NCc2ccccc2Cl)C1 104620423 VLZHKZHVGVXWQY-MGPQQGTHSA-N 308.853 3.323 0 40 DGAB Cc1ccc([C@@H]2NC(=S)NC3=C2CCC[C@H]3CN(C)C)cc1 101375253 NRERSBYAYDKVRY-HOCLYGCPSA-N 315.486 3.130 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)C1=NO[C@H](c2ccccc2)C1 54654929 QMWUQJQAPDUASK-ZDUSSCGKSA-N 313.382 3.088 0 40 DGAB O=C(Nc1c(F)cccc1F)c1c[nH]c2ccccc2c1=O 22233912 VKAQLAMJMTUPKU-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB Cc1noc(C)c1CN(C)c1nn2cc(C(C)(C)C)nc2s1 24658949 PHTAVMZCCXGEDV-UHFFFAOYSA-N 319.434 3.330 0 40 DGAB COc1cc(CNC(=O)Nc2ccc(F)cc2Cl)ccn1 43261926 LHVXMZKDOWRWNZ-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB CN1C[C@@]2(C)CN(C(=O)c3ccccc3Cl)C[C@](C)(C1)C2 100509540 AHTJWUMMSUABIS-IRXDYDNUSA-N 306.837 3.144 0 40 DGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)Nc1nncs1 48039776 KKWZLHQVTCCGDH-SECBINFHSA-N 313.386 3.171 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2c(C)noc2C)n1 72232468 DNBCTIADIJTPHP-AWEZNQCLSA-N 319.430 3.353 0 40 DGAB COCc1ccccc1C(=O)NC[C@@]1(N(C)C)CCC[C@H](C)C1 58155493 COQFDLHSDABPOK-HNAYVOBHSA-N 318.461 3.073 0 40 DGAB O=C(Nc1ccncc1F)N[C@H]1CCC[C@H](C(F)(F)F)C1 97135771 QFNSBOXXMNYMHW-IUCAKERBSA-N 305.275 3.463 0 40 DGAB O=C(O)CS[C@H](Cc1ccccc1)C(=O)c1ccccc1 27825262 HIEMZBQGQHGDIY-OAHLLOKOSA-N 300.379 3.298 0 40 DGAB Cc1cc(N)nc(S[C@@H](C)c2nc(-c3cccs3)no2)n1 58313688 KLGSNYQHRXYHOW-QMMMGPOBSA-N 319.415 3.332 0 40 DGAB c1ccc(N2CCN(Cc3ccn(-c4ccccc4)n3)CC2)cc1 58392494 HMRSVCFSBLUUIF-UHFFFAOYSA-N 318.424 3.195 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)Nc3cccc(C)n3)C2)cc1 97142748 DXNBJVQUXKZQDF-OAHLLOKOSA-N 311.385 3.420 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1ccc(Br)s1 28227571 CEHGXDUVGUTBID-UHFFFAOYSA-N 314.208 3.113 0 40 DGAB C[C@@H]1CN(C(=O)c2csc(-c3cccs3)n2)[C@H](C)CO1 45448355 UCKVVFYIBSLBSV-NXEZZACHSA-N 308.428 3.121 0 40 DGAB Cc1cnc(C(=O)N(C2CC2)[C@H]2CCCc3ccccc32)cn1 45509483 SUIZAMXILSNAMJ-SFHVURJKSA-N 307.397 3.467 0 40 DGAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccsc1 48332410 UXSGHJZMQMJAHS-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB O=C(O)CCCc1nc(-c2cccc(C(F)(F)F)c2)no1 20593783 BOBBEJITJVIRHR-UHFFFAOYSA-N 300.236 3.163 0 40 DGAB Clc1cncc(NCCc2coc(-c3ccccc3)n2)n1 71899548 NUOFFVVLARNBIS-UHFFFAOYSA-N 300.749 3.440 0 40 DGAB COc1ccccc1CN(C)CC(=O)Nc1cc(C)ccc1C 8852714 HIAFVEVDQSQZOM-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB CCCc1cc(-n2ccnc2)n2nc3nc(C)cc(C)c3c2n1 5209087 CCZMPMWBASICSD-UHFFFAOYSA-N 306.373 3.033 0 40 DGAB CCOc1ccc(C(C)=O)cc1CN1C(=O)c2ccccc2C1=O 6383833 MBDNRHTUQPNNFO-UHFFFAOYSA-N 323.348 3.084 0 40 DGAB CCn1c(C)c(C(=O)NCc2ccccn2)c2cc(OC)ccc21 5348141 DOSNBFOCAYYVDI-UHFFFAOYSA-N 323.396 3.303 0 40 DGAB C[C@H](C(N)=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 14142276 VSUFUAHCZZPOIB-SECBINFHSA-N 323.849 3.003 0 40 DGAB O=C(O)[C@H]1CS[C@H](c2ccc(OCc3ccccc3)cc2)N1 4553692 QLDGBUNDYTVRIZ-HZPDHXFCSA-N 315.394 3.054 0 40 DGAB C[C@@H]1CN(Cn2nc(-c3ccccc3F)oc2=S)C[C@@H](C)O1 14238649 MWXIQWPJWMCPQS-GHMZBOCLSA-N 323.393 3.078 0 40 DGAB Cc1ccc(N(C)C(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 19910518 VRUMSKFUBKEOMT-UHFFFAOYSA-N 306.369 3.161 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2cccs2)c1 5786869 CKYXPZZWAKXSHG-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1cc2ccccc2oc1=O 15002963 RJGUHRQUTBHWOM-UHFFFAOYSA-N 319.238 3.463 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1cc2c(s1)CCC2 6942879 RYUCBDPBMDWVDO-UHFFFAOYSA-N 315.394 3.341 0 40 DGAB O=C(Nc1ccsc1)N1CCC[C@@H](c2nncn2C2CC2)C1 96007977 COCLSRNDWVSZCA-LLVKDONJSA-N 317.418 3.086 0 40 DGAB O=C(CN1CCc2ccccc21)N[C@H]1CCCc2ccccc21 7600911 FBRLNICAGXHDQG-SFHVURJKSA-N 306.409 3.243 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 8014242 ZWEFORSOAYDAAG-LBPRGKRZSA-N 310.353 3.275 0 40 DGAB CCCc1cc(O)nc(S[C@@H](C)C(=O)c2ccccc2)n1 16681205 SGLNSXXUCQWAIQ-NSHDSACASA-N 302.399 3.498 0 40 DGAB COc1ccc(F)cc1CN(C)CC(=O)Nc1cccc(F)c1 8265902 CGYBYPYJQPYXQT-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB Cc1ccc(OCCNC(=O)CCC(=O)c2cccs2)cc1 8237835 DMCHRPVXKDMNEI-UHFFFAOYSA-N 317.410 3.215 0 40 DGAB CCOc1ccc(CC(=O)N[C@H]2CCc3ccccc3C2)cc1 69318502 YPJGAXOAVCCYHW-SFHVURJKSA-N 309.409 3.302 0 40 DGAB COCc1cccc(C(=O)N[C@@H]2C[C@H]2c2ccccc2OC)c1 69517650 JVNAZWNMRPWFJT-DLBZAZTESA-N 311.381 3.128 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1cc2ccccc2cc1O 17320670 BXYJQOXFYQUEJV-UHFFFAOYSA-N 321.332 3.204 0 40 DGAB c1cc(-c2noc(CN(Cc3ccsc3)C3CC3)n2)ccn1 69771272 OHEJIDWSCGGNGX-UHFFFAOYSA-N 312.398 3.358 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N=C(O)[C@@H]2CCCCN21 71967913 JTWHUIWPKYVNNU-FUHWJXTLSA-N 324.428 3.371 0 40 DGAB C[C@](O)(CNC(=O)CCc1cccc(Cl)c1)c1ccsc1 77636132 QBSOPDQFKXQPOB-INIZCTEOSA-N 323.845 3.358 0 40 DGAB CCCCN(CC)C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 9846107 VTFGSMMULHUTIY-UHFFFAOYSA-N 312.454 3.282 0 40 DGAB COCc1ccc([S@](=O)Cc2cn3c(C)cccc3n2)cc1 95440986 QGMSPPPLKIRWHH-QFIPXVFZSA-N 314.410 3.097 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2CC(=O)c2cccs2)o1 95436119 YBPDCNCRTSNAEB-CYBMUJFWSA-N 317.410 3.456 0 40 DGAB CCc1oc2ccccc2c1CN(C)C(=O)Nc1ccn(C)n1 73364260 IPALZIXFMKOINU-UHFFFAOYSA-N 312.373 3.393 0 40 DGAB COc1ccc(OC)c(CC(=O)N(C)[C@@H](C)c2ccccc2)c1 98080601 PSOXEXPHVAKAKW-AWEZNQCLSA-N 313.397 3.466 0 40 DGAB CC(C)OCCCN(C)[C@H]1CCN(c2ccccc2Cl)C1=O 95958278 CWXPPRNAKBNJDL-INIZCTEOSA-N 324.852 3.192 0 40 DGAB Cc1nc(-c2ccc(NC(=O)C3=COCCC3)cc2Cl)n[nH]1 95987193 IODZBGDVKDXVOY-UHFFFAOYSA-N 318.764 3.066 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccc(Cl)c1 75110304 FNLVPNFHPGZMED-ZDUSSCGKSA-N 324.789 3.044 0 40 DGAB O=C(NCc1ccsc1)N1CCC[C@H]1C[C@@H](O)c1ccco1 89794399 UXYWUWOZARSOAI-UONOGXRCSA-N 320.414 3.139 0 40 DGAB C[C@H](CNC(=O)N1C[C@@H](C)c2ccccc21)CC1(C)OCCO1 89941171 AIAWORJWGGORQR-UONOGXRCSA-N 318.417 3.109 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 33185818 REKWDBYPFQRBTR-QWRGUYRKSA-N 316.323 3.331 0 40 DGAB CC(C)(C)OC(=O)N1CCN[C@@H](c2ccc(F)cc2Cl)C1 306145965 XKVODUVZYGPRQU-CYBMUJFWSA-N 314.788 3.361 0 40 DGAB C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CCC2=O 490688 XRCFMDPVHKVRDJ-BEIYGRMHSA-N 300.398 3.266 0 40 DGAB biogenic O=C(CCc1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1 515616416 DJDZHPBESXDHRK-CQSZACIVSA-N 315.335 3.189 0 40 DGAB CCOc1ccc(-c2nnc3n2N[C@H](c2ccco2)S3)cc1 3843257 JFKRHNAGWYLKBW-AWEZNQCLSA-N 314.370 3.285 0 40 DGAB biogenic O=C(N[C@@H]1CCC[C@H](C2CC2)C1)N1CCC[C@H](c2ncc[nH]2)C1 74654026 FWPJKPZERMQYKF-HRCADAONSA-N 316.449 3.268 0 40 DGAB Cc1nc(I)ccc1[C@@H](N)c1ccccc1 72219688 PPFQYBZIWUJUNX-ZDUSSCGKSA-N 324.165 3.043 0 40 DGAB CC(C)[C@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 129228636 QMXMPWBFQKWWFQ-VIFPVBQESA-N 310.246 3.457 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1c(Cl)cccc1Cl)C1CC1 79420429 OMXAKZCBFFUATF-AWEZNQCLSA-N 315.244 3.468 0 40 DGAB O=C(c1c[nH]c2nccc-2c1)N1CCC=C(c2ccccc2)C1 1568853940 BSIAGIFWEIDBPL-UHFFFAOYSA-N 303.365 3.444 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cc2ccc(F)cc2)c(C)c1 223885577 KAJYIIRWGBIZGD-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc(OC)c(F)c2)c1C 44630563 DKRBHCUDHMBZJU-UHFFFAOYSA-N 317.316 3.182 0 40 DGAB CCN(C(=O)N1CCC(OC)CC1)[C@H](C)c1ccc(F)cc1 195577546 AKOFZNRNHLUHBG-CYBMUJFWSA-N 308.397 3.439 0 40 DGAB CC(C)(C)OC(=O)NCCCCc1ccc2c(n1)NCCC2 139867561 YUMZGHLHDMYUOZ-UHFFFAOYSA-N 305.422 3.287 0 40 DGAB CCc1ccc(C[C@@H](Oc2ccccc2OC)C(=O)O)cc1 225043311 NUFCYQOOSDVZGZ-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB COC(=O)c1cc(Br)cc2c(Cl)ccnc12 40564513 UMFBRWYXTCUBMJ-UHFFFAOYSA-N 300.539 3.437 0 40 DGAB CN(C)c1cccc([C@H]2CCCN2C(=O)c2ccc(CN)cc2)c1 225475159 RMORULJZPBFKGT-LJQANCHMSA-N 323.440 3.189 0 40 DGAB COc1ccc2c(c1)[C@H](CCNCc1ccc3c(c1)OCO3)C=N2 95101190 GNRQVJHOAQLEPM-CQSZACIVSA-N 324.380 3.403 0 40 DGAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccc(F)cc1 199416165 XOZKUUDOEUVHBY-GOSISDBHSA-N 313.372 3.316 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 95436944 VISPBCRVSAADKV-BJJXKVORSA-N 322.474 3.249 0 40 DGAB C[C@@H](COc1ccccc1C(F)(F)F)NC1CCOCC1 95420783 PXOUPPQPYXTBSX-NSHDSACASA-N 303.324 3.241 0 40 DGAB CC(C)(C)OC(=O)N1CCC(N)(Cc2ccccc2F)CC1 98213814 OFFWUWAMPKWPLK-UHFFFAOYSA-N 308.397 3.097 0 40 DGAB Cn1cc(CCCN2CCC(Oc3ccc(F)cc3)CC2)cn1 96406607 DMDILDHTFCAPDC-UHFFFAOYSA-N 317.408 3.035 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)NCCc2cccc(O)c2)c1 96411503 BBDGMNSVCYEPDW-CYBMUJFWSA-N 314.385 3.464 0 40 DGAB Cc1ccc2c(c1)C=C[C@@H]2CC(=O)N[C@H](CO)c1ccccc1 96345092 CERPILJUXHHDKU-IEBWSBKVSA-N 307.393 3.345 0 40 DGAB c1cncc(COC[C@@]23CCCO[C@H]2CCN(C2CCC2)C3)c1 96040150 ZBFGURHVZVHBQB-OALUTQOASA-N 316.445 3.022 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)NCc2ccsc2)C1 96436125 RSNLDOOBKSYARU-STQMWFEESA-N 324.446 3.058 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257222932 DVESBFXPCJLDFQ-SFHVURJKSA-N 321.424 3.212 0 40 DGAB Fc1ccc(CN2CC3(CO[C@@H](Cc4cccnc4)C3)C2)cc1 257222117 DRZOLXXJPWGIJW-SFHVURJKSA-N 312.388 3.054 0 40 DGAB CC[C@H](C)n1nccc1CNCCc1ccc(OC)c(OC)c1 256049958 CBQIYSIMQKRQAM-AWEZNQCLSA-N 317.433 3.204 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nccs2)C1 257278963 OEKBKTBTLLLVGC-LLVKDONJSA-N 305.403 3.022 0 40 DGAB CC[C@H](C(=O)NCc1cc(-c2ccco2)n(C)n1)c1ccccc1 85471322 ARBMXPSBMOGILP-INIZCTEOSA-N 323.396 3.490 0 40 DGAB CN(c1ccccc1)c1ccccc1C(=O)NC[C@H]1CCCO1 47557908 JSKZLYCPZRSEJZ-MRXNPFEDSA-N 310.397 3.363 0 40 DGAB c1coc([C@H](CNc2ncnc3ccccc23)N2CCCC2)c1 48332319 RMLPUDJOKHWMBS-INIZCTEOSA-N 308.385 3.472 0 40 DGAB COc1cccc(NC(=O)N2CCC(n3cc(C)cn3)CC2)c1 69705196 WHJZGZIMSFKFAR-UHFFFAOYSA-N 314.389 3.069 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cncc(-c2cnn(C)c2)c1 69704377 BMSQYELRUDQCPU-ZDUSSCGKSA-N 318.380 3.074 0 40 DGAB Cc1ccc(NC(=O)CN2CCC(C(F)(F)F)CC2)cc1 72802174 JUGCXUVLDXSSIL-UHFFFAOYSA-N 300.324 3.208 0 40 DGAB Cc1cc(C)cc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)c1 102405118 DERZJTQZTJXDCR-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB Cc1cc(NC(=O)c2cccs2)ccc1N1CCCC1=O 5440009 BWQPTPUXWMEHRW-UHFFFAOYSA-N 300.383 3.436 0 40 DGAB CCOC(=O)c1cc2c(oc1=O)-c1cc(C)ccc1O[C@H]2C 5766285 HXTSYZKLTBASCP-JTQLQIEISA-N 300.310 3.245 0 40 DGAB COc1ccc(-c2cc(C(=O)O)nn2-c2ccc(OC)cc2)cc1 11801847 GKNXWYHQTDFDDM-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(C[C@@H]1CCCO1)C3 12222973 KLEVFAFPFRATGO-AWEZNQCLSA-N 312.369 3.345 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)CNc1ccccc1C 15085326 MZCYQXFDWAVZIS-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB CC(=O)c1ccc(NC(=S)NCCc2ccc(O)cc2)cc1 17052750 IOLBWKUUDDJVNN-UHFFFAOYSA-N 314.410 3.124 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)c1cc(N)cc(Br)c1 165143373 JABDRWNZLICRCQ-UWVGGRQHSA-N 311.223 3.434 0 40 DGAB O=S(=O)(NC[C@H]1C[C@@H]2CC[C@@H]1C2)c1ccc(Cl)s1 100159013 AQULQMCRLFLXAW-OPRDCNLKSA-N 305.852 3.116 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@@H](C)c1cnn(C(C)C)c1 96486738 WJHKWQBFJDYSCD-NEPJUHHUSA-N 317.437 3.175 0 40 DGAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1nc(C)cs1 40024199 ZMLHHVHKXNBBBL-UHFFFAOYSA-N 318.398 3.370 0 40 DGAB Cc1ccc(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 20046654 XXYGLKSKULBOND-CALCHBBNSA-N 302.462 3.022 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)Cc2ccc(-n3cccn3)cc2)[C@@H]1C 40107310 WIQNOYAIUYGHGP-RKVPGOIHSA-N 311.429 3.356 0 40 DGAB CCN1C(=O)c2ccccc2N[C@@H]1c1ccc2c(c1)OCCO2 30542600 GJTHJGMQMBJAQD-KRWDZBQOSA-N 310.353 3.044 0 40 DGAB CCOc1ncccc1CNCc1c[nH]nc1-c1cccs1 30901502 OEQYYDOJWNXQRN-UHFFFAOYSA-N 314.414 3.222 0 40 DGAB Cc1cc(=O)n2c3ccccc3n(Cc3cccc(F)c3)c2n1 40484745 RKHLVCVKEAQGBZ-UHFFFAOYSA-N 307.328 3.145 0 40 DGAB CC(=O)N[C@H]1C(=O)N(CCc2ccccc2)c2c(C)cc(C)cc21 100641847 BMNCYGUXNUSRED-GOSISDBHSA-N 322.408 3.070 0 40 DGAB Cc1nc(N[C@H](C(=O)O)C(C)C)c2c3c(sc2n1)CCCC3 237030 FTDMZGKXDCQUOP-ZDUSSCGKSA-N 319.430 3.400 0 40 DGAB O=C(NC[C@@H]1C[C@H]2C=C[C@H]1C2)c1cccc(Nc2ncccn2)c1 101412427 KZGNGTGNEWVFSB-DZKIICNBSA-N 320.396 3.162 0 40 DGAB COc1ccc([C@H]2C=C(c3cccs3)Nc3ncnn32)cc1 98098 VMYHYLWBIARDMQ-CQSZACIVSA-N 310.382 3.404 0 40 DGAB Cc1nnc(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)s1 141480 KZYQGLJXPFCQIB-MRVPVSSYSA-N 311.794 3.214 0 40 DGAB CCOC(=O)c1ccc2c(c1)[n+](CC)c(C)n2-c1ccccc1 243470 HKEMYTWAKHQZKB-UHFFFAOYSA-N 309.389 3.423 0 40 DGAB Cn1c(SCC(=O)Nc2ccccc2)nnc1-c1ccccc1 375401 QTHCFKOYCKXOEE-UHFFFAOYSA-N 324.409 3.213 0 40 DGAB CCOc1ccccc1CN1CCC(C(=O)N(CC)CC)CC1 299615 DXCSJMBUGNSFTG-UHFFFAOYSA-N 318.461 3.166 0 40 DGAB CCOC(=O)[C@@]1(CCOCc2ccccc2)CCCCC1=O 2044989 SGHQTKVYSLDCAQ-GOSISDBHSA-N 304.386 3.286 0 40 DGAB CCOC(=O)Cn1c(C)c(C(=O)C(F)(F)F)c2ccccc21 2488942 WSOJSHZWXGOMOD-UHFFFAOYSA-N 313.275 3.258 0 40 DGAB CC[C@]12CCN(CC3(O)CC3)[C@H](Cc3ccc(O)cc31)C2(C)C 3870315 ZDXGFIXMPOUDFF-XLIONFOSSA-N 315.457 3.222 0 40 DGAB in-man C#CCOc1ccc(/C=C2/SC(=O)N(CCC)C2=O)cc1 6657150 PVAVEXSQXFKRMB-SDNWHVSQSA-N 301.367 3.145 0 40 DGAB CCCNCc1cc(Br)c(OCC)c(OC)c1 7262301 XMASVVBHDOWRHX-UHFFFAOYSA-N 302.212 3.356 0 40 DGAB Cc1cccc(C)c1N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 7928352 JBDFMILPWABJQY-HNNXBMFYSA-N 314.429 3.105 0 40 DGAB Cc1nc2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2nc1C 8060229 UAILZZHIWJDREC-UHFFFAOYSA-N 321.336 3.228 0 40 DGAB O=C(C[C@H]1C=CCC1)NCc1cccnc1OC1CCCC1 41427037 LRMSJNDDHRZICE-AWEZNQCLSA-N 300.402 3.376 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@@H]1c1cccs1 23245433 MYFCKGOJSOICBE-CYBMUJFWSA-N 318.442 3.162 0 40 DGAB O=C(NCC1CCN(Cc2ccco2)CC1)c1ccccc1F 23128011 SAOPQZTVPDVNEB-UHFFFAOYSA-N 316.376 3.061 0 40 DGAB Cn1c(Cl)cnc1COC(=O)[C@H]1SCCc2ccccc21 76090071 HBQSKGCOADGMGW-AWEZNQCLSA-N 322.817 3.147 0 40 DGAB Cc1ccc(CNC[C@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 76042621 GJMKCOZSQCANSK-PBHICJAKSA-N 319.474 3.274 0 40 DGAB Cc1cccc(-n2ncc(C(=O)NCCc3ccccc3)c2C)c1 24864915 ROCWTKSFZMCEIK-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB COc1cnn(-c2ccc(Cl)c(Cl)c2)c(=O)c1Cl 1401934 FBJBVBKWNRROSB-UHFFFAOYSA-N 305.548 3.201 0 40 DGAB CCc1nnc([C@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)o1 76046876 GCGKHRGEJGHFST-AAEUAGOBSA-N 317.437 3.312 0 40 DGAB CCNc1nnc(SC[C@H](O)c2ccc(F)cc2F)s1 44262439 IJQHZLRZMFRBDQ-JTQLQIEISA-N 317.386 3.074 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)Nc1ccc2ccccc2c1 101104962 WVULZFFLGAIVPQ-FSDCSDTHSA-N 307.349 3.301 0 40 DGAB Cc1nc(Cc2nnc(SCC(=O)C(C)(C)C)o2)cs1 57651716 RGIGTFSGXHDMKO-UHFFFAOYSA-N 311.432 3.133 0 40 DGAB CSc1cccc(NC(=O)[C@@H](C)NC(=O)C2CCCC2)c1 48253271 ANLWDMYSVQLIDS-LLVKDONJSA-N 306.431 3.042 0 40 DGAB CN(Cc1ccccc1)C(=O)CC[C@@H]1Cc2ccccc2NC1=O 48248695 CDWKJGIYYBNCBD-QGZVFWFLSA-N 322.408 3.236 0 40 DGAB CC[C@H](NC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 36063517 CEDNUWDZFYOVCB-STQMWFEESA-N 312.207 3.195 0 40 DGAB COCCN1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 26465745 YHCOCOSXMRYVNB-ZDUSSCGKSA-N 317.216 3.043 0 40 DGAB CCCCn1c(=O)c2c3c(sc2n2cnnc12)CCCCC3 2290127 CSLBCXWDTLIINO-UHFFFAOYSA-N 316.430 3.175 0 40 DGAB CCCCOc1ccc(S(=O)(=O)Nc2cccnc2)cc1 2501812 CRDWYIKYCUCPDM-UHFFFAOYSA-N 306.387 3.061 0 40 DGAB COC(=O)c1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1 3454035 QVEUYOVZCJYHMC-NSHDSACASA-N 316.332 3.051 0 40 DGAB COc1cc(C)ccc1OCC(=O)NCc1ccc(Cl)cc1 3510603 VOZQCZDVFMKJQI-UHFFFAOYSA-N 319.788 3.352 0 40 DGAB Cc1nc(C(=O)N2CCC[C@@H](C)C2)nn1-c1ccccc1Cl 64022070 RGSDVJZFPLOTJV-LLVKDONJSA-N 318.808 3.101 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Cc3cc(C)cc(C)c3)C2=O)cc1 4171197 HUUYADHQBDQXDR-MRXNPFEDSA-N 323.392 3.434 0 40 DGAB Cc1noc(C2CCN(CCCOc3ccccc3)CC2)n1 64940150 WFOUKAOAZJCUKX-UHFFFAOYSA-N 301.390 3.027 0 40 DGAB CC[C@H]1c2cccn2CCN1Cc1cnc(SC)n1CC 13995718 KVQHELNCKHVZKM-AWEZNQCLSA-N 304.463 3.393 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NC(=O)c1ccccc1O 6335485 BOMAEGJEKOATIX-MDZDMXLPSA-N 301.729 3.015 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1cccc(OCC(F)F)c1 65609904 IFQMQHYLIPPZQU-UHFFFAOYSA-N 324.327 3.265 0 40 DGAB CC(=O)N1CCc2cc(-c3nc(N(C)C)sc3C)ccc21 14245511 FUHQUIWJAWZZQA-UHFFFAOYSA-N 301.415 3.094 0 40 DGAB C[C@@H](Nc1ccc(Br)cc1)C(=O)NC1CCCC1 6589331 JEULHKBKJBDPLR-SNVBAGLBSA-N 311.223 3.308 0 40 DGAB CC(=O)Nc1cccc(OCC(=O)Nc2cccc(C)c2C)c1 4662609 GWISIRDTRZGOSJ-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)c1 14575601 DBGOAKMFNSTZKM-JTQLQIEISA-N 318.323 3.414 0 40 DGAB CC1=Nc2c(c(O)nn2C2CCCC2)[C@@H](c2cnn(C)c2)S1 71286373 GDAWYWHCROWLMC-CYBMUJFWSA-N 317.418 3.323 0 40 DGAB C[C@H](NC(=O)[C@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)O 6764329 IEYZXUCCAQCZEZ-NEPJUHHUSA-N 315.344 3.186 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)C1CCN(C(=O)C2CC2)CC1 15077548 YFHFFKJVSQJNJA-UHFFFAOYSA-N 324.783 3.066 0 40 DGAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1cccc(F)c1 6932013 VEERNHLPLZBXFG-CYBMUJFWSA-N 307.390 3.125 0 40 DGAB O=S(=O)(NCc1cccs1)c1ccc2c(c1)CCCC2 7213637 ZDYKIQYHMPCSIH-UHFFFAOYSA-N 307.440 3.105 0 40 DGAB CC[C@H](O)c1nc2ccccc2n1CC(=O)N(C(C)C)C(C)C 7425161 JGYWMVVQCYWTNT-INIZCTEOSA-N 317.433 3.125 0 40 DGAB O=C(CN1CC=C(c2ccccc2)CC1)NCC1CCCCC1 7456823 BRKBLOORQINIPP-UHFFFAOYSA-N 312.457 3.472 0 40 DGAB CCC[C@H](NC(=O)c1cccc(OC)c1)c1nnc2ccccn12 69457084 SPPXZUFAKQMZMR-HNNXBMFYSA-N 324.384 3.009 0 40 DGAB C[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1cccc(Cl)c1 69511779 GJCOWDDVTYWOMP-KGLIPLIRSA-N 310.869 3.083 0 40 DGAB COC1CCN(Cc2cc(F)cc(Br)c2)CC1 83897759 UCQSJTYNGRSOJC-UHFFFAOYSA-N 302.187 3.199 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N(C)[C@H](C)C(C)C)CO2 96998476 FCWSSBXTHKZZPL-CYBMUJFWSA-N 303.402 3.364 0 40 DGAB Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)cc2s1 84290366 VNUABFSYDNOHCU-NWDGAFQWSA-N 318.398 3.434 0 40 DGAB Cc1n[nH]cc1CNCc1ccc(CN2CCC(C)CC2)cc1 97159155 HSMGUACZNWBABN-UHFFFAOYSA-N 312.461 3.240 0 40 DGAB CC(C)c1cnc(CN2CCC[C@H]2c2noc(C3CC3)n2)o1 72300070 QPGMBXOWGJGRRD-LBPRGKRZSA-N 302.378 3.396 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@H](C)c2ccco2)cc1 97375016 VFVXYQYEVYPOKZ-ZIAGYGMSSA-N 307.415 3.101 0 40 DGAB O=[S@](CCNc1ncccc1C(F)(F)F)c1ccccc1 95398036 MGHIIJHQGYEHJP-NRFANRHFSA-N 314.332 3.320 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC[C@@H]1COC3(CCCC3)O1)CCCO2 95459719 OUSOHJLNENTHGC-WBVHZDCISA-N 317.429 3.484 0 40 DGAB CC(=O)Nc1ccc(CCN[C@@H]2CCc3ccccc3C2)cc1 95421785 AWVIEILKPHFFJV-HXUWFJFHSA-N 308.425 3.335 0 40 DGAB O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCc2cnccc21 98015815 FIVADSUYRSKZNH-PXNSSMCTSA-N 304.393 3.265 0 40 DGAB CCc1ccsc1CN[C@@H](C)c1ccc(-n2cnnn2)cc1 95969175 BOTRAZAJXHFRSG-LBPRGKRZSA-N 313.430 3.137 0 40 DGAB CSCC[C@@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 95991051 GSOPLXFYBYKCLA-SECBINFHSA-N 320.380 3.387 0 40 DGAB COc1ncccc1N(C)C(=O)[C@H](C)O[C@@H]1CCC[C@@H](C)C1 95960617 RLAKSMUWHIRWKW-HZSPNIEDSA-N 306.406 3.037 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)nc1 95963412 CGCPGAPULVYOSB-CYBMUJFWSA-N 304.321 3.025 0 40 DGAB Cc1cccc(C)c1CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 95943340 NCWPZVRVFXORTR-NVXWUHKLSA-N 302.418 3.060 0 40 DGAB CN(Cc1nccs1)C(=O)Cc1ccc(-n2cccc2)cc1 74548384 IYZOMAQSYRZNNI-UHFFFAOYSA-N 311.410 3.135 0 40 DGAB CC(C)n1cc([C@H](C)N[C@@H](C)C(=O)Nc2ccccc2)cn1 89616477 DUDUJDYZJDFNNS-KBPBESRZSA-N 300.406 3.142 0 40 DGAB O=C([C@@H]1CCOc2ccccc21)N1CCOc2cccc(F)c21 89857783 OTTXOQSTFCJJEA-CYBMUJFWSA-N 313.328 3.117 0 40 DGAB O=S(=O)(c1ccccc1Cl)N1CCC[C@H]1c1ccncc1 24434587 PEBXBPKNRUUCSM-AWEZNQCLSA-N 322.817 3.261 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(Cn2ccnc2)c1 29668375 PMSDPHBJMIRGKE-IPELMVKDSA-N 323.440 3.374 0 40 DGAB Cc1ccccc1C(C)(C)CNC(=O)Nc1cc(C)n(C)n1 122491986 UMGRHXPANYXXFW-UHFFFAOYSA-N 300.406 3.136 0 40 DGAB O=C(CCc1cccs1)Nc1cnn(CC(F)(F)F)c1 72243683 XLXCUHVVVCSYSL-UHFFFAOYSA-N 303.309 3.078 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1C 30288000 VEBKCCVESIASPC-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB CCOC(=O)c1cc(N)cc2nc(-c3ccc(F)cc3)oc12 73641875 SIJDEYBUKRKXAX-UHFFFAOYSA-N 300.289 3.393 0 40 DGAB Cc1cc(CNC(=O)c2ccc3oc(Cl)nc3c2)c(C)n1C 225985253 FARGUECGTFKBGD-UHFFFAOYSA-N 317.776 3.367 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c(C)c1 42646320 FAFZUAWSHANDRM-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)[C@@H]1C[C@@H]1c1cccnc1 225597822 ZNXNPCNMGIOPFX-QZTJIDSGSA-N 324.424 3.297 0 40 DGAB CC(C)CN1CCC(NC(=O)N[C@H](C)c2cccc(F)c2)CC1 49796147 FUPOLYWWNHLQSC-CQSZACIVSA-N 321.440 3.306 0 40 DGAB COc1cccc(-c2nnsc2C(=O)Nc2ccccc2)c1 225765218 FTIBXJHMJLEMDC-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCOc1ccc(C(=O)NC)cc1COc1ccccc1OC 224572807 OMDZIYUYQSWRRE-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB CCOC[C@@H]1CCN(C(=O)Nc2cccc(N(C)CC)c2)C1 81612852 HIESGZPJEHZGHK-CQSZACIVSA-N 305.422 3.033 0 40 DGAB COCc1ccccc1NC(=O)N[C@H]1CC(C)(C)OC1(C)C 195552976 FLRNBQCTSXOXRI-AWEZNQCLSA-N 306.406 3.301 0 40 DGAB COc1cc(OC)cc(OCC(=O)NC(C)(C)CC(C)(C)C)c1 224254144 QODLLFGKOUXRCD-UHFFFAOYSA-N 323.433 3.414 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445209 HHOFTCUMIZPAMP-BXUZGUMPSA-N 300.333 3.394 0 40 DGAB COC(=O)c1c(C)c(NC(=O)OC(C)(C)C)c2ccccn12 96029606 UUCFELSVVMQTHN-UHFFFAOYSA-N 304.346 3.381 0 40 DGAB CC[C@H](O)c1ccc(OCC(=O)NCc2sccc2C)cc1 96475745 KCBGVSDSYHQDDA-HNNXBMFYSA-N 319.426 3.195 0 40 DGAB O=C(c1cnc2ccccn12)N1CC[C@H](Cc2ccccc2)C1 535739512 RQCLCJBCURMIFQ-MRXNPFEDSA-N 305.381 3.039 0 40 DGAB C[C@@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2C(=O)C[C@@]2(C)CCC[C@H]12 257346298 XQLFKXBNBBSWOD-XZWCIGSBSA-N 304.430 3.138 0 40 DGAB Cc1ccsc1CN1CC2(C1)OCC[C@@H]2COCC1CC1 253599833 VFDQWSAIGWTROP-OAHLLOKOSA-N 307.459 3.074 0 40 DGAB O=C(CSC[C@H]1CCCCO1)Nc1ccnc(Cl)c1F 585125195 JYLNFFLKHJQPIY-SECBINFHSA-N 318.801 3.115 0 40 DGAB C[C@H](SC(=S)N1CCCC1)C(=O)N[C@H]1CCCC[C@H]1C 252140180 MDHIUKYGAOAUCQ-AGIUHOORSA-N 314.520 3.184 0 40 DGAB O=C(CCc1cccc(Cl)c1)NC[C@@H](O)C1CCCCC1 69494763 ZUTVFWDKKOFHRS-MRXNPFEDSA-N 309.837 3.330 0 40 DGAB CN(CC1CCN(C(=O)OC(C)(C)C)CC1)C(=O)C(C)(C)C 62163206 YQKWXHFMZRIOOJ-UHFFFAOYSA-N 312.454 3.138 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)N2C[C@H](C)CC[C@H]2C)cc1 74090202 HHMYHXDEQPRIIV-ZIAGYGMSSA-N 317.433 3.018 0 40 DGAB Cn1ncc2c(NCc3cc(-c4ccoc4)cs3)ncnc21 1775972790 VXBFUMVDOURVMW-UHFFFAOYSA-N 311.370 3.297 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccccn2)c(C)c1 5060463 QMTAFLSRYDIQED-CQSZACIVSA-N 312.369 3.191 0 40 DGAB O=S(=O)(NCc1ccccc1Cl)c1ccc(F)c(F)c1 5771207 RBDVJAWTMYFIJL-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCCN1C(=O)c1cccs1 12902670 FJPRVMFFWMTJPO-AWEZNQCLSA-N 314.410 3.382 0 40 DGAB O=C(c1ccccn1)N1CCC[C@@H](n2cnc3cc(F)ccc32)C1 13267775 IOQQKVCIHVBORC-CQSZACIVSA-N 324.359 3.048 0 40 DGAB O=C(Nc1ccc([C@@H]2CCc3nncn3C2)cc1)C1CCCC1 19699029 LZNOVMCFXAJUNK-OAHLLOKOSA-N 310.401 3.137 0 40 DGAB CC[C@@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(C)cc1 169294120 FPVOCSBUPCPYRH-ALYAQQCSSA-N 313.397 3.085 0 40 DGAB O=C(O)/C=C/c1cc(Br)cc(Br)c1O 2524645 FXRZQKBEZMNQME-OWOJBTEDSA-N 321.952 3.015 0 40 DGAB Cc1ccc(F)c(CN[C@@H](C[S@](C)=O)c2ccccc2)c1 154707106 JIZNWQKZXVJSAY-LAUBAEHRSA-N 305.418 3.344 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)NC3CCCCC3)ccc21 22507133 NMUVRCCICAWMIO-UHFFFAOYSA-N 301.390 3.050 0 40 DGAB O=S(=O)(NCCSCc1cccs1)c1cccs1 7700235 PYWBRASNCCOMKG-UHFFFAOYSA-N 319.498 3.021 0 40 DGAB Cc1ccc(CN2CCC(Oc3ncc(Cl)cn3)CC2)cc1 1888857111 NZVCQLWVLSWKOR-UHFFFAOYSA-N 317.820 3.482 0 40 DGAB CC(=O)N1CCC[C@@H]1CCc1ccc(NC2CCCC2)nc1 1848355184 SWACLYNZVHMXGV-QGZVFWFLSA-N 301.434 3.380 0 40 DGAB Cc1cc(Nc2nccs2)nc([C@@H]2CCN(C(C)C)C2)n1 2037836331 ZZZYIARYRROMPD-GFCCVEGCSA-N 303.435 3.183 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(-c3ccncc3)o2)cc1 421898 LAHXUJNZEAGERK-UHFFFAOYSA-N 311.366 3.415 0 40 DGAB C[C@@](O)(CNc1nc2cnccc2s1)Cc1ccsc1 1775972470 HOYRMNZFPMFZLB-AWEZNQCLSA-N 305.428 3.158 0 40 DGAB O=C(NCc1cccnc1-c1ccco1)c1ccc2c(c1)OCO2 225659757 NKNZCOGUFFILDM-UHFFFAOYSA-N 322.320 3.000 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NCc2ccc(CO)o2)cc1 96461410 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COc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102192082 RDOIINCSTNEFQC-QCQGSNGOSA-N 303.402 3.258 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2ccccc2Cn2ccnc2)c1 46729761 SCFHLIMJKWHKJL-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)NC2CCCCC2)o1 7196029 JOXJJWGULQWCQM-UHFFFAOYSA-N 321.402 3.179 0 40 DGAB CN(Cc1ccco1)S(=O)(=O)c1cc(Cl)ccc1Cl 7305335 RFRHHIHVOFXWQR-UHFFFAOYSA-N 320.197 3.407 0 40 DGAB CCOc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)cc1 7915726 CLTMDBDXVDKLRV-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB Cc1c(-c2nc3ccccc3[nH]2)c(N)n(C[C@H]2CCCO2)c1C 102420390 LRSGJTWGUKYBFR-CYBMUJFWSA-N 310.401 3.409 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)C3(N)CCCCC3)C2)n1 97019887 CAHGWXMITPWBFM-ZDUSSCGKSA-N 321.490 3.073 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1cc(-c2cccnc2)on1 41461081 VKGOKWSECOCCQG-UHFFFAOYSA-N 319.242 3.406 0 40 DGAB CCC[C@H]1SCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 72288336 WJTZCSBQMWOHOY-XJKSGUPXSA-N 323.458 3.302 0 40 DGAB Cc1cc(C)c(/C=c2\sc3nc4ccccc4n3c2=O)c(C)c1 59224966 HROVDARYHORYJO-YVLHZVERSA-N 320.417 3.382 0 40 DGAB CN1CCN(c2nnc(-c3ccc(F)cc3)c3ccccc23)CC1 3200070 LCICPWRFDHPLQI-UHFFFAOYSA-N 322.387 3.188 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106765749 RAKBHFXWPFLINI-MELADBBJSA-N 310.401 3.247 0 40 DGAB Cc1cc(CNC(=O)Nc2ccccc2CC(F)(F)F)no1 76081783 QZXJYKRBBPAOST-UHFFFAOYSA-N 313.279 3.410 0 40 DGAB C[C@H]1c2ccccc2CCN1CCc1nc2ccccc2c(=O)[nH]1 106862663 NDSWTNRXSQVDOE-AWEZNQCLSA-N 319.408 3.085 0 40 DGAB CCc1cc2c(=O)n(CCOc3ccccc3)cnc2s1 1787569 BAYGEGAINBAXGI-UHFFFAOYSA-N 300.383 3.099 0 40 DGAB C[C@@H]1CCc2c(C(=O)NCCc3ccccn3)csc2C1 12635132 IWICOQGLCZNVAB-GFCCVEGCSA-N 300.427 3.240 0 40 DGAB Cc1cn2c(n1)CC[C@@H](NC(=O)C[C@H]1CCCc3ccccc31)C2 72271698 GJWPFTWMWYLXCX-IAGOWNOFSA-N 323.440 3.133 0 40 DGAB C[C@@H](OCCCNC(=O)c1cccn2ccnc12)c1ccccc1 58217037 OZNPOKCWWPTPIY-OAHLLOKOSA-N 323.396 3.232 0 40 DGAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 58315913 IHHCAAIKXOCMNA-WDEREUQCSA-N 308.788 3.068 0 40 DGAB Cc1cccnc1C(=O)c1ccccc1I 45028666 LUECUPAUPUABEK-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1ccc(NC(=O)[C@H]2Cc3ccccc3S2)c(OC)c1 11462344 DIMQVRZMLWNOLW-MRXNPFEDSA-N 315.394 3.359 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409009791 IDFJSSWNXWCYSD-GMROUXNLSA-N 319.382 3.293 0 40 DGAB CC(C)c1nn(C)cc1CNCc1cccc(Cn2ccnc2)c1 48711341 KMIKLBYCMKTPPX-UHFFFAOYSA-N 323.444 3.078 0 40 DGAB CC(C)c1cccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)c1 13020752 GLVXKNXQLBZONG-UHFFFAOYSA-N 310.353 3.393 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1cccc(Cl)c1 13007276 KJOPMFKKKNZPQY-AWEZNQCLSA-N 320.776 3.016 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 13166270 GDUVSFYMYUTWRP-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB Cc1cccc(C)c1NC(=S)NC(=O)/C=C/c1ccco1 4091020 UJDMRPDKRPTNNK-CMDGGOBGSA-N 300.383 3.423 0 40 DGAB C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)[C@H](C)n1cccn1 69418023 WITUHJXCXMWRDI-STQMWFEESA-N 313.380 3.152 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccccc2C)ccc1OC 113970773 FDPQKBNUIBOKOK-UHFFFAOYSA-N 305.399 3.367 0 40 DGAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)Nc1cccc(Cl)c1 5062011 HUSLVRHXOCPGQV-JTQLQIEISA-N 319.744 3.230 0 40 DGAB C[C@@]12C[C@@H](NC(=O)N1c1cccc(C(=O)O)c1)c1ccccc1O2 4313282 VCKXLTWFHBRJCE-RDTXWAMCSA-N 324.336 3.154 0 40 DGAB COc1cccc(OC)c1C(=O)NCCCCc1ccccc1 6248669 YKDQJKMHPURTSJ-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccco1)c1ccc(SC)cc1 69508764 SBKMXUKTWDVOEO-CYBMUJFWSA-N 319.382 3.036 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)N2CCc3ccccc32)cc1 6328126 HFTPURORBZCOQZ-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB CC(C)[C@H](C)NC(=O)C1CCN(c2nc3ccccc3o2)CC1 14163677 JQSKVVXPBLJRTM-ZDUSSCGKSA-N 315.417 3.205 0 40 DGAB Cc1cc(C)cc(C2=CCN(C(=O)Cc3cc(C)on3)CC2)c1 91824038 RMKBASOUGBEMBS-UHFFFAOYSA-N 310.397 3.458 0 40 DGAB COc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1OC 70707682 UTHDWNKMFHEKGP-UHFFFAOYSA-N 315.413 3.402 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc(Cn2cccn2)o1 27981316 ONXYJKANMBXUQG-CYBMUJFWSA-N 307.353 3.116 0 40 DGAB COc1ccc(C(=O)Nc2ccc(OC)cc2OC)c(F)c1 8943338 UIDYCLNHUJZBBW-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCc1c(C)noc1C 7737191 SDLDRDSVHFPHGL-UHFFFAOYSA-N 322.386 3.285 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc(N2CCCC2)cc1 7735525 YMJYQNIWYIINPZ-UHFFFAOYSA-N 313.401 3.463 0 40 DGAB CCC(=O)Nc1ccc(C2=NN=C(NC(C)(C)C)SC2)cc1 7850087 BYUQGHMMDSWVSV-UHFFFAOYSA-N 318.446 3.230 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(C)c(F)c2)c1 7961360 RYJPLXUNLLPYQJ-UHFFFAOYSA-N 301.317 3.481 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C)o1 7974853 AOPLHNQPCGVMQR-ZDUSSCGKSA-N 302.374 3.056 0 40 DGAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccco1 28226442 WSKRRMOKYNJOTG-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB Cc1ccc([C@@H](NCc2cnn(-c3ccccc3)c2)C(=O)O)cc1 97235200 MNJOGNHLYWAOKH-GOSISDBHSA-N 321.380 3.096 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2c2cnn(C)c2)oc2ccccc12 71796933 DJWDSVWVOSYOGL-OAHLLOKOSA-N 309.369 3.452 0 40 DGAB CCCCc1noc([C@@H](C)N2CCc3c(ncn3C3CC3)C2)n1 95373396 JLOWUSPURPCUGM-GFCCVEGCSA-N 315.421 3.063 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)Nc2ccc3c(c2)CCC3)n1 9514154 OASOIMUQHYEYCP-UHFFFAOYSA-N 316.430 3.148 0 40 DGAB O=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCOC1 71890101 OEARHIHRIBMTAA-OAHLLOKOSA-N 321.380 3.060 0 40 DGAB O=C(c1cc(Br)cc2ccccc12)N1CCOCC1 71883189 SWQPKAHLPNMITL-UHFFFAOYSA-N 320.186 3.075 0 40 DGAB CN1CCCN(Cc2csc(-c3ccc(F)cc3)n2)CC1 83877982 LRBATHGZVIHEKD-UHFFFAOYSA-N 305.422 3.087 0 40 DGAB COCc1nc(C)cc(N2CCC[C@@H](Nc3ccccc3)C2)n1 95415097 XYXLCWRHWLEBGJ-MRXNPFEDSA-N 312.417 3.012 0 40 DGAB Cc1nnc(CN2CCCc3cc(C)c(Br)cc32)o1 95436603 QYUYMUUOPQRQTR-UHFFFAOYSA-N 322.206 3.402 0 40 DGAB CC(C)CN1Cc2cccc(NC(=O)C3=CCCCO3)c2C1 95979254 VURIGWFJFKETBN-UHFFFAOYSA-N 300.402 3.291 0 40 DGAB CCOc1ccc(CNCC2([C@@H](C)CCO)CCC2)cc1OC 95988550 GRWILYDYECUJNO-HNNXBMFYSA-N 321.461 3.372 0 40 DGAB CCc1ccc(CC)c(NC(=O)N2CC[S@@](=O)C(C)(C)C2)c1 89284671 ZRGKGPDCZUAQQM-QFIPXVFZSA-N 322.474 3.186 0 40 DGAB CCN1CCC[C@H]1CN(C)Cc1coc(-c2ccc(F)cc2)n1 89977216 PXDWYCSTCDTLFA-KRWDZBQOSA-N 317.408 3.397 0 40 DGAB C[C@@H](NC(=O)c1ccon1)c1ccc(OCC2CC2)c(F)c1 89904719 RGDPWVLLQPTSAG-SNVBAGLBSA-N 304.321 3.094 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCC(F)(c2ccccn2)CC1 521394218 SOAXGERGNHHFHE-UHFFFAOYSA-N 321.783 3.175 0 40 DGAB Nc1cc(-c2nn3c(C(F)(F)F)nnc3s2)ccc1Cl 73634298 WQUQQLIBWOAMTL-UHFFFAOYSA-N 319.699 3.107 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@@H]4C(=O)CC[C@]35C)[C@@H]1CCC2=O 34111134 LIMBPOMDHZQBJH-KPXRGQPZSA-N 302.414 3.299 0 40 DGAB O=C(NCc1ccnc(N2CCCC2)c1)c1cc2ccccc2[nH]1 30011706 ACRMTXACIKPLQL-UHFFFAOYSA-N 320.396 3.093 0 40 DGAB Fc1ccccc1CN1CC[C@H](c2nc(-c3ccncc3)no2)C1 72389899 SXYYLNQQSPRWCL-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB COc1c(Cl)cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1Cl 32747452 PZFPMDHZXHBRMO-IUCAKERBSA-N 318.200 3.251 0 40 DGAB CCOc1ccc(N2N=C(C(=O)O)C[C@@H]2c2ccccc2)cc1 71979138 UDVLISXGRVKMFP-QGZVFWFLSA-N 310.353 3.477 0 40 DGAB CCCCN1CCC[C@H]1c1ccc(N2CCOCC2)nc1C 72219631 GWOGISRNKAHWHJ-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB O=C(CCc1nc(-c2cccs2)no1)N1CCCCCC1 41184201 QSCRZPWBNKKFOR-UHFFFAOYSA-N 305.403 3.133 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)n1 85490632 HEEOEDTZBJWPPR-INIZCTEOSA-N 308.381 3.268 0 40 DGAB Cc1nscc1C(=O)N1CC(=O)Nc2cccc3cccc1c23 195558500 CZIXIOWIINJXIR-UHFFFAOYSA-N 323.377 3.204 0 40 DGAB COC(=O)c1cccc(NC(=S)NC2CCCCCC2)c1 225353657 DJCFVADEIXFHCA-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB O=C([C@H]1COc2ccccc21)N(CCC(F)(F)F)CC1CC1 84234717 BNMJASBBJGAUBR-ZDUSSCGKSA-N 313.319 3.354 0 40 DGAB CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1c(C)cccc1Cl 192977848 QQZOKCQQGZPQEY-WDEREUQCSA-N 312.797 3.358 0 40 DGAB CC1(C)C[C@H](NCc2noc(-c3ccsc3)n2)C(C)(C)O1 97103324 UHYOHTJZVURYLM-NSHDSACASA-N 307.419 3.234 0 40 DGAB CC[C@@H](NC(=O)NCCCCOC)c1ccc(F)cc1F 96415238 DCGHDOZOPLMKLR-CQSZACIVSA-N 300.349 3.142 0 40 DGAB CCN(CC(F)(F)F)C(=O)Nc1cccc(CN(C)C)c1 96406766 GXELJILAWFOIGZ-UHFFFAOYSA-N 303.328 3.164 0 40 DGAB O=C([C@@H]1CCC[C@H](C(F)(F)F)C1)N1CCOc2ncccc21 96451732 ILWZCVDJEVDYFU-MNOVXSKESA-N 314.307 3.176 0 40 DGAB c1cnc2nc([C@H]3CCN(CCc4ccncc4)C3)ccc2c1 583650802 BJHKVFWSIMFBIW-KRWDZBQOSA-N 304.397 3.057 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@@H](Cc4ccn[nH]4)C3)cc2c1 257335733 YLOSEGZUOZPHBQ-AWEZNQCLSA-N 324.428 3.354 0 40 DGAB Cc1cnc2c(NC(=O)N3CCC(O)CC3)cccc2c1Cl 585119580 LUWATUBXRCUZRI-UHFFFAOYSA-N 319.792 3.185 0 40 DGAB CCc1ncc(CNC(=O)c2cc3c(s2)CCCCC3)o1 578960061 CJHQWUUYFCLURT-UHFFFAOYSA-N 304.415 3.497 0 40 DGAB Cc1cccc(OCCC(=O)N(C[C@@H]2CCOC2)C2CC2)c1C 46939176 NXQPXYGWLHCJJS-INIZCTEOSA-N 317.429 3.100 0 40 DGAB O=C(Cc1cn2ccsc2n1)Nc1cccc(-n2cccc2)c1 58897901 PASBBLANUKEKKT-UHFFFAOYSA-N 322.393 3.368 0 40 DGAB O=C(CC1(CC(=O)NC2CC2)CCCCC1)Nc1nccs1 69594813 RDESBDINWUOGME-UHFFFAOYSA-N 321.446 3.091 0 40 DGAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccccn1 40108462 NPFAMCQTPBDHJQ-NSHDSACASA-N 319.202 3.205 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCCC[C@H]1CCO 5892684 ZHHLBURUHLPCKQ-ZDUSSCGKSA-N 316.323 3.474 0 40 DGAB Nc1nc(=O)c(CCCOc2ccccc2)c(-c2ccccc2)[nH]1 17040188 XPHAAYSGMJIEDB-UHFFFAOYSA-N 321.380 3.031 0 40 DGAB CCCCCC(=O)NC(=S)Nc1nc2ccc(O)cc2s1 17056643 BFBQIRLBOQLYQD-UHFFFAOYSA-N 323.443 3.395 0 40 DGAB CO[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccccc1 643913818 IOEBBGYQNNZXNO-IRXDYDNUSA-N 302.443 3.365 0 40 DGAB Cc1ccc(NC(=O)NC(=O)[C@H](C)N2CCCCCC2)c(C)c1 29219269 CQZADGPNEJHRON-HNNXBMFYSA-N 317.433 3.216 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2ccc(C(F)(F)F)cc2)cc1 141631 OVTGRKNVGAQYKF-UHFFFAOYSA-N 323.270 3.334 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccccc3F)o2)cc1 4276093 JEUKPTBUIOFZIG-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB C[C@H]1C[C@H](OC(=O)CCC(=O)Nc2nccs2)CC[C@H]1C 4654032 QOTJCLZJYOZYKD-GRYCIOLGSA-N 310.419 3.230 0 40 DGAB COCCn1cc(NC(=O)NCc2ccccn2)c2ccccc21 5266412 IEKGOVWTHLFRMR-UHFFFAOYSA-N 324.384 3.004 0 40 DGAB Cc1nccc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298187276 JAQGWRXRGBULSP-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB Cc1ccccc1-n1ncc2c(NCc3ccccn3)ncnc21 36688995 KXHZYIIRCAWUFR-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB OC1=C2C(=Nc3ncnn3[C@H]2c2ccccc2)c2ccccc21 100565106 YQIMAIYGSPDAMO-INIZCTEOSA-N 300.321 3.285 0 40 DGAB CC(C)Oc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 148176 FNZPEVZHIZVAHZ-UHFFFAOYSA-N 316.382 3.035 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1 40513546 PQCUAIMZSYYCKL-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB Cc1c(O)ccc(-c2cs/c(=N\c3ccccn3)n2C)c1O 101712844 SXVWLVDOEMRHRI-VLGSPTGOSA-N 313.382 3.101 0 40 DGAB Cc1ccc(OCC(=O)NC(=S)Nc2ccc(F)cc2)cc1 508424 ZXIOJQFCUGNZBG-UHFFFAOYSA-N 318.373 3.026 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc2n1 70004624 KMNFSCYCEFYOHA-SFHVURJKSA-N 320.396 3.254 0 40 DGAB Cc1cccc(C)c1N1C(=O)[C@@H]2Nc3ccccc3S[C@@H]2C1=O 1614392 VEKITAQFGXYYII-ZBFHGGJFSA-N 324.405 3.132 0 40 DGAB C[C@@H]1[C@H]2CC[C@H](C2)[C@@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 4212595 LKJLMYKYKMDEBY-DUFGSWQCSA-N 321.848 3.457 0 40 DGAB COC(=O)CCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 4901985 YUYWGCSSRGJEQN-UHFFFAOYSA-N 323.352 3.122 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCc2cccc(F)c21 32906853 VWKLUCKOHOGBMQ-CJNGLKHVSA-N 304.409 3.273 0 40 DGAB O=C(Nc1ccccc1C(=O)N1CCCC1)NC1CCCCC1 52410776 KZJLLAXDVRXOBU-UHFFFAOYSA-N 315.417 3.377 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)N[C@H](C)c2ccncc2)c1 57279329 QSXPRHPIYMRNHW-CQSZACIVSA-N 308.385 3.007 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)CCCc3cccs3)cc12 22472908 YQAKLWTWLFTYEE-UHFFFAOYSA-N 314.414 3.300 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1ccc(N2CCCC2)cc1 9064131 ZMTYUQWBKIVQQN-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1Br)c1ccncc1 22881441 XZLFFIXSYZHBJR-SECBINFHSA-N 323.165 3.474 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)N1CCc2sccc2C1 43164935 SVZUFKDDRQTFCK-AWEZNQCLSA-N 314.410 3.340 0 40 DGAB O=C(Nc1nncs1)N(Cc1ccco1)Cc1cccs1 43137915 XBSFOQKYOQLJSB-UHFFFAOYSA-N 320.399 3.427 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)Oc1ccc(F)cc1 28487947 FYIDPXNBJYOZEO-STQMWFEESA-N 317.360 3.479 0 40 DGAB CCOc1ccc(NC(=O)c2ccc(-c3ncon3)cc2)cc1 107082827 VSFXYZZZMUNVAK-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB CCO[C@@H](CC)C(=O)Nc1ccc(Sc2nncs2)cc1 57227601 QBIJHFNVWMAXFZ-LBPRGKRZSA-N 323.443 3.443 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102194342 ZMJGCXJSQJOYOS-XNISGKROSA-N 317.429 3.187 0 40 DGAB Cc1ccccc1CN[C@@H](C(=O)NC1CC1)c1ccc(F)cc1 57541937 BJIJGGVBXNNMKJ-GOSISDBHSA-N 312.388 3.244 0 40 DGAB O=C(O)c1ccn(-c2ccc3ccc(-c4ccccc4)cn23)n1 110074930 XQULINNVJFPKFT-UHFFFAOYSA-N 303.321 3.490 0 40 DGAB CCCOc1ccc2c(C)c(CCC(=O)OCC)c(=O)oc2c1 2091757 QZLVEBOTTZZTPR-UHFFFAOYSA-N 318.369 3.386 0 40 DGAB biogenic COc1ccc(CCNC(=O)Cc2cccc(Cl)c2)cc1 67787791 WVLJFSYGLWWVQF-UHFFFAOYSA-N 303.789 3.250 0 40 DGAB Cc1cc(CNC(=O)N[C@@H](c2ccccc2C)C(C)C)on1 69934027 MQSZNPABNOMZFS-MRXNPFEDSA-N 301.390 3.488 0 40 DGAB CCn1cc(NC(=O)c2cc(C)n(Cc3ccco3)c2C)cn1 27918790 VODHRCRYRWNUGU-UHFFFAOYSA-N 312.373 3.215 0 40 DGAB COCCOc1nc(C(=O)N[C@@H](C)C(C)C)cc2ccccc12 48288036 UILKTZSWKMKMQB-ZDUSSCGKSA-N 316.401 3.034 0 40 DGAB O=C(c1cnsn1)N1CCC[C@H]1c1nc2ccccc2s1 58419222 IKQOIIRRJSZTCM-NSHDSACASA-N 316.411 3.125 0 40 DGAB CCCCn1nc(C)c2c(C(=O)N[C@@H](C)CC)cc(C)nc21 17030852 IYJIMJMBQMYEKU-NSHDSACASA-N 302.422 3.377 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 8723884 ZWLBSOFOVAIBFF-SECBINFHSA-N 305.280 3.185 0 40 DGAB Cc1ccc(-n2nc3c(N4CCCC4)nnc(C)c3c2C)cc1 36646273 NWRMEKDDNIVTKP-UHFFFAOYSA-N 307.401 3.341 0 40 DGAB CC(C)Cc1noc(CCCNc2ncnc3ccsc23)n1 48354222 ILHIEEMXCJDABR-UHFFFAOYSA-N 317.418 3.318 0 40 DGAB C[C@H](Sc1ccccc1)[C@H](NC(=O)OC(C)(C)C)C(=O)O 2541722 CFYIQBZERDZIIX-JQWIXIFHSA-N 311.403 3.145 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CNC(=O)c2ccc3ccccc3c2)C1 12868332 GWPJSWWQFNSGGS-GJZGRUSLSA-N 324.424 3.074 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1 12911684 VHJBKIBNKISXKN-UHFFFAOYSA-N 324.380 3.230 0 40 DGAB Cc1ccc(CN(C(=O)NC2CCN(C3CC3)CC2)C(C)C)o1 69414656 IMPNJZVNSHEWEG-UHFFFAOYSA-N 319.449 3.135 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2occc2C)c1 49121886 LCZMHGUADMQKHL-ZDUSSCGKSA-N 314.385 3.046 0 40 DGAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(Br)c1 49548470 UPYZHPKROLVTMO-SNVBAGLBSA-N 306.163 3.306 0 40 DGAB CC[C@@](C)(NC(=O)[C@@H]1COc2ccccc2C1)c1nccs1 172422991 IFSTZWULZNUWCI-SUMWQHHRSA-N 316.426 3.136 0 40 DGAB COc1ccccc1N1C(=O)c2ccccc2N[C@@H]1c1cc[nH]n1 69600787 BJTNKEWSMZGKLR-KRWDZBQOSA-N 320.352 3.189 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](C)[C@H](C)n2cncn2)cc1Cl 69668353 SHVQOQUTGGEYOA-QWRGUYRKSA-N 307.785 3.011 0 40 DGAB C[C@H](SCC(=O)NCc1ccccn1)c1ccccc1F 69698476 CTCBBUIHRPXVFU-LBPRGKRZSA-N 304.390 3.331 0 40 DGAB Cc1ccc(C(=O)Cn2nnc(-c3ccccc3C)n2)c(C)c1 5169522 WOOUUXXKFPKKGR-UHFFFAOYSA-N 306.369 3.148 0 40 DGAB C[C@H](NC(=O)CSc1nncs1)c1cc2ccccc2o1 8505406 IPEGUKISCGTVAI-VIFPVBQESA-N 319.411 3.254 0 40 DGAB CC(C)N(C)CCNC(=O)Nc1ccccc1C(F)(F)F 65541347 FLZSAIWRVCXLIE-UHFFFAOYSA-N 303.328 3.167 0 40 DGAB CCN(CN1C(=O)NC2(CCC(C)CC2)C1=O)C1CCCCC1 6496849 LXMXEYJSINGTPU-UHFFFAOYSA-N 321.465 3.099 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)c1cc(Cl)ccc1F 14196985 DVAJUIGTQOPIKI-NSHDSACASA-N 321.735 3.049 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H](n2cccn2)C1 65609722 IRFQUXIKVSMQSW-SJLPKXTDSA-N 309.413 3.167 0 40 DGAB Cn1nnnc1SCc1csc(-c2ccccc2Cl)n1 6643614 PKRPRTAGUGKTLW-UHFFFAOYSA-N 323.834 3.279 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)Nc1ccc2c(c1)OCO2 6699078 LQAZRQYXGODROI-UHFFFAOYSA-N 314.297 3.066 0 40 DGAB Cc1ccc(F)cc1NC(=O)Cc1ccc2c(c1)OCCO2 5688182 CLIMWTBSMOEHFB-UHFFFAOYSA-N 301.317 3.087 0 40 DGAB CCc1ccc(CN(C)S(=O)(=O)c2ccc(OC)cc2)cc1 6852234 WDGFJWHDHMFMAK-UHFFFAOYSA-N 319.426 3.078 0 40 DGAB CCC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4998721 QLDJBDMRBDREAL-OLZOCXBDSA-N 322.836 3.306 0 40 DGAB CC(C)c1nnc2sc(-c3cncc(Br)c3)nn12 9048217 XAMXHPSIUADMKI-UHFFFAOYSA-N 324.207 3.134 0 40 DGAB Cc1ccccc1CC(=O)N(C)Cc1cnn(-c2ccccc2)c1 7843250 KHJAWDUHOAUUHN-UHFFFAOYSA-N 319.408 3.382 0 40 DGAB O=C(CCn1ccc2ccccc21)Nc1ccc2c(c1)OCO2 7912791 YOUQZCPYRQQPPA-UHFFFAOYSA-N 308.337 3.399 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc(N(C)C)cc2)cc1F 24078556 LZQJFWNTDZBAHG-GFCCVEGCSA-N 316.376 3.391 0 40 DGAB CC(=O)N[C@H](C)C(=O)Nc1ccccc1NCC1CCCCC1 97083343 AFINAMPEGGYETH-CYBMUJFWSA-N 317.433 3.142 0 40 DGAB Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@]1(O)CCSC1 97017196 SOJMWKMEIFQMMM-YGRLFVJLSA-N 300.493 3.094 0 40 DGAB CC(C)c1ccc(C2(C(=O)N3CC[C@@H](N)C3)CCCC2)cc1 97019626 BXDXUORFBNTINO-QGZVFWFLSA-N 300.446 3.181 0 40 DGAB FC(F)(F)c1ccc([C@@H]2CN(Cc3cc[nH]n3)CCO2)cc1 97084932 PPLPJEOZCRLJKK-AWEZNQCLSA-N 311.307 3.002 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2c2ccncc2)cnn1C(C)(C)C 71819750 YBGXWQSGECBDKI-MRXNPFEDSA-N 312.417 3.319 0 40 DGAB CCO[C@H]1C[C@H]1C(=O)Nc1nc2ccccc2n1-c1ccccc1 71933961 IYULYENSPSURMV-PBHICJAKSA-N 321.380 3.389 0 40 DGAB Cc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)c(O)c1 9647734 YIJWHHZRYIFRTE-UHFFFAOYSA-N 324.380 3.470 0 40 DGAB Cc1nn(C)c(Oc2cccnc2)c1CNC1CCCCC1 84013715 QHXJMQLFQDDCDW-UHFFFAOYSA-N 300.406 3.338 0 40 DGAB Cc1nc2n(c1C)CCN(Cc1ncc(-c3ccccc3)o1)C2 97201459 NXWLTKWEUMFODQ-UHFFFAOYSA-N 308.385 3.171 0 40 DGAB O=C(/C=C/c1cnccn1)NC1CCC(c2ccccc2)CC1 84525480 YJXKJGFYHVAAOF-ZHACJKMWSA-N 307.397 3.332 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2F)ccc2cncn12 95465112 WLSBXIKOGHBPLB-JTQLQIEISA-N 315.323 3.412 0 40 DGAB Cc1ccc(C(=O)c2ccccc2C(=O)Nn2cccc2)cc1 85446085 VGQLFICQDYYIHE-UHFFFAOYSA-N 304.349 3.411 0 40 DGAB COC(=O)N(C)Cc1ccc(NCc2nccn2C(C)C)cc1 95965291 GBWCJUPBJIUJFK-UHFFFAOYSA-N 316.405 3.274 0 40 DGAB CCc1cnccc1C(=O)N1CC[C@H](c2ccc(OC)cc2)C1 95988397 SHKASWOTPFSIPI-INIZCTEOSA-N 310.397 3.282 0 40 DGAB CCc1cc2c(=O)n(Cc3sc(C)nc3C)cnc2s1 89284642 JMBIFJSZKPFUPY-UHFFFAOYSA-N 305.428 3.142 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)s1 75130502 ZQHAXAHTROWBNN-HNNXBMFYSA-N 317.458 3.313 0 40 DGAB CC(C)(O)[C@@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 89761631 ZMKIQTCZXJLDFE-JTQLQIEISA-N 308.731 3.494 0 40 DGAB Cc1nn(CC(=O)Nc2ccc3c(c2)CCC3)c(C)c1Cl 27981961 KPGAICZOJCIURE-UHFFFAOYSA-N 303.793 3.281 0 40 DGAB CSCCc1ccc(NC(=O)N2CCOC(C)(C)C2)cc1 69685058 NWEBTCINXHOKGN-UHFFFAOYSA-N 308.447 3.235 0 40 DGAB CC(C)[C@@H](C)NC(=O)c1ccccc1I 36841219 IPXKFNUPWPKFOR-SECBINFHSA-N 317.170 3.066 0 40 DGAB CC(C)[C@@H](Sc1cccc[n+]1[O-])C(=O)NC1CCCCCC1 42937179 CGYRGUYLJZYZGP-MRXNPFEDSA-N 322.474 3.276 0 40 DGAB Cc1ccc(CC(=O)NCc2ccc(-n3ccnc3)cc2)c(C)c1 224159925 BRMFAHFCUJLBJL-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB Cc1ccc2cccc(S(=O)(=O)N(CC(C)C)C3CC3)c2n1 84936397 KRRTXVJCMNOIOR-UHFFFAOYSA-N 318.442 3.352 0 40 DGAB COc1cccc(C(=O)NCC[C@H](O)c2cccc(Cl)c2)c1 225607853 QQJSRNCSKGFGMO-INIZCTEOSA-N 319.788 3.202 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1ccc(C)cc1)C(=O)O 225103853 RWPKOBYVFMWQJY-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)n1C 222822230 FIXCHPPIGKONEV-HOTGVXAUSA-N 314.458 3.109 0 40 DGAB CCOc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)O)cc1 225106606 ODQYCKMBRPIBAX-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB COC(=O)c1cc(Br)ccc1-c1ccc(C=O)o1 45920173 VSMCJLFSEXWKGF-UHFFFAOYSA-N 309.115 3.308 0 40 DGAB CC(C)(O)CN1CCc2c(cccc2N[C@H]2CCCSC2)C1 195560535 GNDYPJZMCQZWQC-HNNXBMFYSA-N 320.502 3.123 0 40 DGAB C[C@@H]1[C@@H](NC(=O)CSc2ncc3ccccn23)CCC[C@H]1C 225416290 VMDURFJCFWWOML-IPYPFGDCSA-N 317.458 3.367 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1Cl)OCc1ccccc1 199812052 UNSRDSXEKVHHST-OAHLLOKOSA-N 305.761 3.300 0 40 DGAB COC[C@H]1CN(Cc2ccsc2)Cc2ncn(CC3CC3)c21 96060267 WROOCXQKNGJMRW-OAHLLOKOSA-N 317.458 3.100 0 40 DGAB COCc1ccccc1NC(=O)NC[C@@H]1CCO[C@@H]1C(C)C 96455180 ROJSRZKIEYBOFZ-XJKSGUPXSA-N 306.406 3.016 0 40 DGAB CCc1cc(NC(=O)c2ccc(OCc3ccccn3)cc2)[nH]n1 96436241 BKZDPBNQVKTHBS-UHFFFAOYSA-N 322.368 3.198 0 40 DGAB Fc1cccc(F)c1-c1csc(CSc2ncn[nH]2)n1 97098575 UDYOCRAMCLOIHT-UHFFFAOYSA-N 310.354 3.499 0 40 DGAB COc1ccnc(CN[C@H](C)c2ccccc2-n2cccn2)c1 97371968 XBYYHIWVDNBOBW-CQSZACIVSA-N 308.385 3.127 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 95915145 PCTWEIAMLWRJHJ-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1 579721729 BQHNNCWRVNYTEY-HOCLYGCPSA-N 316.788 3.350 0 40 DGAB Cc1cc(C)c(-c2c(CC(=O)O)sc3ncnn23)c(C)c1 95095784 AOVUCFYKHFUHQM-UHFFFAOYSA-N 301.371 3.010 0 40 DGAB Cc1ccccc1NC(=O)NCCn1ccc(C(F)(F)F)n1 96099036 UCHUKLNGWZNVQD-UHFFFAOYSA-N 312.295 3.032 0 40 DGAB CSC[C@@H](C)C(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 96443829 KUSBKDFDWZSAPN-OLZOCXBDSA-N 315.442 3.320 0 40 DGAB COC1CCN(c2ccc(C(=O)Nc3nccs3)cc2)CC1 244970147 HLRPUWHZXWTMQB-UHFFFAOYSA-N 317.414 3.011 0 40 DGAB CC(=O)NC1CCN(Cc2cc3ccnc(Cl)c3s2)CC1 585136919 YNVYFAQXJZPGPY-UHFFFAOYSA-N 323.849 3.050 0 40 DGAB CCCCOc1ncccc1CNC(=O)CCCCC[C@H](C)O 585121165 HPDCXMKIGMIDIC-HNNXBMFYSA-N 322.449 3.208 0 40 DGAB c1ccc(O[C@H]2C[C@@H]3CN(CC4CCOCC4)C[C@@H]3C2)cc1 257281381 OOXWTEJFZNMNRF-DZFIZOCASA-N 301.430 3.202 0 40 DGAB C[C@@H]1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 253668251 WSBASKMWDAUNEI-GFCCVEGCSA-N 318.369 3.275 0 40 DGAB biogenic,in-vitro COC(=O)N(C)CC(=O)Nc1ccc(Nc2ccccc2)cc1 56423400 TZAYCQUYZHQTRU-UHFFFAOYSA-N 313.357 3.067 0 40 DGAB O=C(Cc1ccc(O)cc1)NCCc1ccc(F)cc1Cl 89783488 RRIRSKOHINYWSB-UHFFFAOYSA-N 307.752 3.086 0 40 DGAB COc1ccc(OC)c(CC(=O)N(C)[C@H](C)c2ccco2)c1 97168257 DWEUDSOTMIAVDW-GFCCVEGCSA-N 303.358 3.059 0 40 DGAB O=S(=O)(Oc1nc2ccccc2[nH]1)c1ccc2ccccc2c1 5214516 HDTLUEBZKIZRGE-UHFFFAOYSA-N 324.361 3.484 0 40 DGAB Cc1cc(N2CCC[C@@H]2c2nc3ccccc3s2)nc(N)n1 19656913 JHHPATRJUVUARB-GFCCVEGCSA-N 311.414 3.318 0 40 DGAB COc1cccc2cc(CN3CC[C@H]4NCCCC[C@H]43)oc12 19712466 NIXNLIXFZQPZCX-HZPDHXFCSA-N 300.402 3.158 0 40 DGAB COc1ccc([C@H]2CC(=O)Oc3c2c(=O)oc2ccccc32)cc1 1427548 KOTAXXAWMHOFJD-CQSZACIVSA-N 322.316 3.243 0 40 DGAB biogenic CCc1ccccc1NC(=O)c1cc2cccnc2n(CC)c1=O 5304009 CPQHCOGTEXBNOM-UHFFFAOYSA-N 321.380 3.231 0 40 DGAB Fc1cnc(N2CCC(c3noc4cc(F)ccc34)CC2)nc1 291099882 KKCKGJFNIUYILW-UHFFFAOYSA-N 316.311 3.280 0 40 DGAB C[C@@](O)(CNC(=O)C1CCC1)c1ccc(-c2ccccc2)cc1 75155362 CBJJCISWKPLIDZ-HXUWFJFHSA-N 309.409 3.477 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@@H](O)c2ccccc2F)c1 40097762 HFLHAIGAKXHGEE-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccco1)C(=O)NCCC1=CCCCC1 30945761 UTILIEREMDCPMX-MRXNPFEDSA-N 318.417 3.041 0 40 DGAB Cc1ccc2nc(C(=O)NCCc3c[nH]c4ccccc34)cn2c1 20744488 VWHUVYCJVROENV-UHFFFAOYSA-N 318.380 3.097 0 40 DGAB CC1CCC2(CC1)NC(=O)N(Cc1ccc(F)cc1Cl)C2=O 2631373 NTZWLSJKLHDGPQ-UHFFFAOYSA-N 324.783 3.480 0 40 DGAB CC(C)(NC(=O)c1ccccc1)c1nc(-c2ccccc2)no1 1368015 SUQWEXZMRGAKQT-UHFFFAOYSA-N 307.353 3.402 0 40 DGAB CCOc1ccc(Cc2n[nH]c3c2C(=O)CCC3)cc1OCC 1421802 ZRJAPICNYAYACS-UHFFFAOYSA-N 314.385 3.317 0 40 DGAB CCCCCCNC(=O)c1ccc(OCc2noc(C)n2)cc1 32876679 UZVMBHMKILWPFC-UHFFFAOYSA-N 317.389 3.267 0 40 DGAB O=C(NC(=S)NC12CC3CC(CC(C3)C1)C2)c1ccccc1 4344121 KFDSYGAJDHZDSS-UHFFFAOYSA-N 314.454 3.260 0 40 DGAB COc1ccc([C@@H](C)CCNC(=O)N2CCC(OC)CC2)cc1 76087257 VVGSEQWZFYVINJ-AWEZNQCLSA-N 320.433 3.009 0 40 DGAB CCOc1nn(CC)cc1C(=O)Nc1ccccc1SC 9070387 PAIOEWWGQZTSNP-UHFFFAOYSA-N 305.403 3.276 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 56517455 LRKHIOSVJRAHJW-QLFBSQMISA-N 319.449 3.183 0 40 DGAB COCc1nc(C)cc(N[C@H]2CCOC3(CCCCC3)C2)n1 104299272 MHCMPAFCFYHMOZ-AWEZNQCLSA-N 305.422 3.225 0 40 DGAB CCCc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2)s1 815620 MCZZIZPFKDFGJH-GFCCVEGCSA-N 305.403 3.287 0 40 DGAB NC(=O)c1ccc(C(=O)OCc2cccc(C(F)(F)F)c2)cc1 23046041 SUGIDLRNBQAJRG-UHFFFAOYSA-N 323.270 3.161 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc(F)cc1 22402417 SITPZIXYRGGUGR-LLVKDONJSA-N 301.317 3.088 0 40 DGAB CCOc1cccc(CN[C@@H](c2ccccc2)c2nc(C)n[nH]2)c1 69168792 DUTDXQYRMLBTSV-SFHVURJKSA-N 322.412 3.391 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 55441310 QAKBFOWCHADJLL-BLLLJJGKSA-N 308.385 3.475 0 40 DGAB COC(=O)c1ccc(F)c(NC(=O)c2cccc(C)c2C)c1 26497222 YKGQPPJFTDOMRW-UHFFFAOYSA-N 301.317 3.481 0 40 DGAB CSCc1cccc(NC(=O)N2CC[C@H](N3CC=CC3)C2)c1 102716272 GMJSVWROFBAOKE-INIZCTEOSA-N 317.458 3.028 0 40 DGAB Cc1ccn2c(=O)cc(Cn3cnc4cc(C)c(C)cc43)nc2c1 35870799 ATTFQMGMNXUJQU-UHFFFAOYSA-N 318.380 3.018 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccco2)cc1 3267509 IZLLYDSSYSHOKA-NHAQELONSA-N 313.353 3.426 0 40 DGAB O=C(Nc1cccc(F)c1)Nc1ccn(Cc2ccncc2)n1 58333006 INRNMNGWODZSDK-UHFFFAOYSA-N 311.320 3.110 0 40 DGAB C[C@@H]1Sc2ccc(C(=O)NCC3CCCCC3)cc2NC1=O 12623491 JUFGCRAXVKIOLM-NSHDSACASA-N 318.442 3.429 0 40 DGAB O=C(CSC1CCCC1)Nc1cccc(C(=O)NC2CC2)c1 11440106 GDAWZWCNAAHXNF-UHFFFAOYSA-N 318.442 3.193 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(F)cc1Br 48452911 OXLNMCOVNSBOLE-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)[C@H](C)c2nnc(C)o2)cs1 110645946 KLWVMAGYZYWLLU-ZJUUUORDSA-N 310.423 3.125 0 40 DGAB O=C(O)C[C@@H](NC(=O)CCc1ccccc1F)c1ccccc1 13225109 WTGUZMFDJZIQPU-MRXNPFEDSA-N 315.344 3.091 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1)NC1CCCCCC1 5077658 UDNQPDXPUFZFFF-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)N[C@@H]1CCCCc2ccccc21 69561196 VBYVRGXSNBDMAS-QGZVFWFLSA-N 312.417 3.029 0 40 DGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2)C1=O 4477280 BPGDAMGUMKFHPX-SFHVURJKSA-N 312.344 3.183 0 40 DGAB COc1ccc2cc(C(=O)NCCc3ccco3)c(C)nc2c1 14093685 KRHQEIAVDVVGEE-UHFFFAOYSA-N 310.353 3.117 0 40 DGAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 4571980 RLQHSWGGLQNMAY-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3cc(C)sc3C)C2)c1 69665424 XQOLQZUGBOYYBI-AWEZNQCLSA-N 303.431 3.347 0 40 DGAB CC(C)c1nc2ccc(NC(=O)c3cc[n+]([O-])cc3)cc2s1 66283888 RXNDVDDQSUPFJR-UHFFFAOYSA-N 313.382 3.305 0 40 DGAB O[C@H](CSc1nnc(NC2CC2)s1)c1ccc(F)cc1 66348432 ATAUMJGHICMHOF-LLVKDONJSA-N 311.407 3.077 0 40 DGAB O=C(Nc1nnc(-c2ccccn2)s1)[C@@H]1CCc2ccccc21 69773331 CFQGZPIFJDAXLI-CYBMUJFWSA-N 322.393 3.269 0 40 DGAB CCCn1c(=O)n(Cc2ccc(OC)c(F)c2)c2ccccc21 7251969 HGWPXINVAIFWJM-UHFFFAOYSA-N 314.360 3.409 0 40 DGAB CCC(CC)(CC(=O)OC)NC(=O)Nc1c(F)cccc1F 96013172 VFFUBCHNOPRAAB-UHFFFAOYSA-N 314.332 3.208 0 40 DGAB Cc1csc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)n1 9315924 DAWYHCMHLMDFOK-BQYQJAHWSA-N 310.382 3.289 0 40 DGAB Cc1ccccc1CC(=O)N1CCn2c(-c3ccco3)cnc2C1 306137642 RCCPGCWGZMBTRU-UHFFFAOYSA-N 321.380 3.036 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)o1 71796465 QMDDBZLWEBXXAH-UKRRQHHQSA-N 301.390 3.060 0 40 DGAB Cn1cc(CNCCc2cscn2)c(C2CCCCC2)n1 97086562 PUFZWGDKEMQJOS-UHFFFAOYSA-N 304.463 3.257 0 40 DGAB CN(CCc1ccccn1)C(=O)[C@H]1C[C@H]1c1ccc(F)cc1F 71903848 KKPYVMJAJSGCNJ-HOTGVXAUSA-N 316.351 3.164 0 40 DGAB CCCOc1cc(CN[C@H](C)CN2CCCCC2)ccc1OC 97287744 JWSLBCVZPRAFDB-MRXNPFEDSA-N 320.477 3.448 0 40 DGAB C[C@@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccs1 95416754 VCNKPJSXSOWMBC-TZMCWYRMSA-N 317.414 3.067 0 40 DGAB CCCn1c(C)nnc1CSc1nc2ccc(C)cc2[nH]1 95448516 MBPNFKYSXWVPQX-UHFFFAOYSA-N 301.419 3.474 0 40 DGAB Cc1ccc(OCc2ccon2)c(C(=O)Nc2ccncc2)c1 79344741 OWWJQIQOMVZDCW-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB CC(C)n1cc(CCC(=O)NC(C)(C)CO)c2ccccc21 79486974 GGVKMZPSBXARFC-UHFFFAOYSA-N 302.418 3.042 0 40 DGAB COc1cccc(OCC(=O)Nc2cnc(Cl)c(C)c2)c1 85311254 LRRHBINOXYCFBC-UHFFFAOYSA-N 306.749 3.070 0 40 DGAB CC(C)Cc1ncc(CNc2nnc(-c3ccncc3)o2)s1 95943126 YPOFVEJQRDZNFA-UHFFFAOYSA-N 315.402 3.399 0 40 DGAB C[C@@H]1CC[C@@H](C(=O)Nc2cncc(Br)c2Cl)O1 95980705 YLGZERWWYLZDBZ-MUWHJKNJSA-N 319.586 3.004 0 40 DGAB COc1ccc2c(c1)[C@@H](NC[C@H](O)c1ccsc1)CCCO2 95968292 ZOHKSHNINHQTOI-HOTGVXAUSA-N 319.426 3.294 0 40 DGAB Cc1ccc(Cl)cc1N1CC[C@H](CNCc2c[nH]nc2C)C1 75126873 CWYDTVNTUCWGQJ-CQSZACIVSA-N 318.852 3.296 0 40 DGAB Cc1cc(N(C)[C@H](C)c2cccnc2)nc(-c2ccccn2)n1 75138127 PLQMYTAIVRQBEY-CQSZACIVSA-N 305.385 3.439 0 40 DGAB CCOCc1ccc(NC(=O)N[C@H](C)C2CCOCC2)cc1 89988670 GJUICDOVDQKCOF-CYBMUJFWSA-N 306.406 3.160 0 40 DGAB Cc1oc(-c2ccco2)nc1CS[C@@H]1CCCCNC1=O 75584303 LWTYJATWJCHAEC-CYBMUJFWSA-N 306.387 3.145 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccc(CC(=O)NC2CC2)cc1 38678384 KQFWFKMZDOPORX-MDWZMJQESA-N 320.392 3.160 0 40 DGAB c1ccc(-c2ncc(CN[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cn2)cc1 554813290 LGCOZDVNHHVTJK-KZNAEPCWSA-N 321.424 3.191 0 40 DGAB CCN(C(C)=O)c1nc(COc2cccnc2Cl)cs1 77494650 IUUURWWRPBXPLY-UHFFFAOYSA-N 311.794 3.143 0 40 DGAB C[C@H]1CN(C(=O)Nc2cccc(N3CCCCCC3)c2)CCO1 77723849 AMGXEAGNEGPBDX-HNNXBMFYSA-N 317.433 3.320 0 40 DGAB CC(=O)Nc1cccc(-n2cnnc2SCCCCCF)c1 225440193 PHGDBOSDELNSJA-UHFFFAOYSA-N 322.409 3.458 0 40 DGAB CCCOc1ccc(NC(=O)[C@](C)(OCCC)C2CC2)cn1 225912845 BPIJWJDAJVROGI-QGZVFWFLSA-N 306.406 3.404 0 40 DGAB c1ccc(CN2C[C@H]3CC[C@@H](NCc4cncs4)[C@H]3C2)cc1 195559936 DBWMNLQTOBNVCP-BPQIPLTHSA-N 313.470 3.143 0 40 DGAB COc1ccc(CC(=O)NCCSC2CCCC2)cc1C 225481603 AEFCPBZLDYKYBQ-UHFFFAOYSA-N 307.459 3.338 0 40 DGAB CNC(=O)c1cccc(Nc2cnnc3ccc(Cl)cc23)c1 46087760 OEZCRIMCSBSFSU-UHFFFAOYSA-N 312.760 3.386 0 40 DGAB COc1cccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 225735689 CHZIOKDGTTXSCT-CQSZACIVSA-N 321.490 3.104 0 40 DGAB COc1ccc2c(c1)C1(CC1)CN(Cc1ccc(C(=O)O)o1)C2 575995627 SBLUCCCYYHFMHS-UHFFFAOYSA-N 313.353 3.034 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@H](C)[C@@H](N)c1ccccc1 96467571 ZESFKNFDMVYKPB-CZUORRHYSA-N 302.443 3.351 0 40 DGAB C[C@@H]1CCCCN1C(=O)CN1C(=O)CC(C)(C)c2ccccc21 96183200 VMPXSXOGUWRLCC-CQSZACIVSA-N 314.429 3.102 0 40 DGAB COC[C@@H]1CN(Cc2cccc3ccccc23)Cc2cncn2C1 96217327 USXTUELYOGRYDB-MRXNPFEDSA-N 321.424 3.315 0 40 DGAB Cn1ncc2c1[C@H](COCC1CC1)N(Cc1ccsc1)CC2 96044483 MCDFIEGZCHJHDV-INIZCTEOSA-N 317.458 3.008 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](C(=O)Nc2ccsc2)C1 96436602 CZCYJQHTRQVWPI-QWRGUYRKSA-N 310.419 3.380 0 40 DGAB CCO[C@H]1CCOC2(C1)CN(Cc1ccc3ccccc3n1)C2 248379847 OCOBJCKAEWYMJQ-KRWDZBQOSA-N 312.413 3.005 0 40 DGAB CC[C@@H](C)n1nc(C(=O)O)cc1CNCc1ccc(F)s1 256053572 RZHXIZNAGNFDBD-SECBINFHSA-N 311.382 3.043 0 40 DGAB CC(=O)NCc1cc([C@@H]2CCCN2CCc2ccccc2)ccn1 257314453 UXBJNZUZWFGDCH-FQEVSTJZSA-N 323.440 3.097 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1 257318813 VPMLIHJEVXNWNS-SFHVURJKSA-N 323.440 3.156 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3sccc3C)C2)n1 257228490 FUCAIPMXQSIZHS-CYBMUJFWSA-N 303.431 3.118 0 40 DGAB CC(=O)N1CCC[C@H](Cc2ccc(-c3ncc(C)s3)nc2)C1 257214329 CLPBGJMSNWTEFF-OAHLLOKOSA-N 315.442 3.315 0 40 DGAB COc1ccc(-c2nc(CCN3CCOC3=O)sc2C)cc1 55049576 GQPCLNVQRJLMMT-UHFFFAOYSA-N 318.398 3.122 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C[C@@H]1C=CCC1 75602209 MJIBLPVMLMSKKJ-OLZOCXBDSA-N 307.825 3.402 0 40 DGAB COc1ccc(/C=C\c2cc(OC)c3c(c2)OCO3)cc1O 24633 YTVCXBVFGQEBAL-ARJAWSKDSA-N 300.310 3.309 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(N4C[C@H](C)O[C@@H](C)C4)c23)C1 11852889 AMLLXYHKSZSITC-SRVKXCTJSA-N 317.458 3.430 0 40 DGAB COc1ccc(C2CCN(Cc3cccnc3)CC2)cc1OC 12113968 ZPERNZSIMUHHNU-UHFFFAOYSA-N 312.413 3.478 0 40 DGAB C[C@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(F)cc1 12757137 QXFZTSRJYUTRGF-LBPRGKRZSA-N 311.316 3.324 0 40 DGAB C[C@H]1C=CC[C@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 17988037 VLJCDLYTSOJWQF-ZWKOPEQDSA-N 309.287 3.407 0 40 DGAB Cc1ccc(C2(NCc3ccc(N4CCOCC4)nc3)CC2)cc1 19208449 QQOBCSAWRVZQIM-UHFFFAOYSA-N 323.440 3.006 0 40 DGAB Cn1nc([C@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 19289501 NJQRKTSZRYKAJF-HNNXBMFYSA-N 324.403 3.487 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257604 ZCMIQKVXXQIKCN-GJZGRUSLSA-N 307.390 3.232 0 40 DGAB Cn1nccc1-c1ccc(CNC(=O)Nc2cccs2)o1 1888951556 BENAMNMTVYBKMD-UHFFFAOYSA-N 302.359 3.063 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1cc(=O)[nH]c2ccccc12 13638021 BUGBUWFCAQMDMH-UHFFFAOYSA-N 304.349 3.269 0 40 DGAB C[C@@H](NCc1nnnn1C1CC1)c1ccc(Cl)cc1Cl 29961511 GXFGHZGAQMZLMP-MRVPVSSYSA-N 312.204 3.166 0 40 DGAB O=C(/C=C/c1ccccc1Cl)Nc1nnc(-c2ccno2)o1 12234457 QNHGUYYQBCGRHL-AATRIKPKSA-N 316.704 3.030 0 40 DGAB CCOc1ccccc1C(=O)NCc1cc(-c2ccco2)on1 22768480 OHJVRYUNCCPUMZ-UHFFFAOYSA-N 312.325 3.263 0 40 DGAB Cc1occc1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 20295935 LXSHAKHVWNDXJJ-UHFFFAOYSA-N 318.804 3.199 0 40 DGAB Cn1ccnc1C[C@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 101374838 CFQLPKFXGBVWNL-OWLYRPNTSA-N 321.424 3.032 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccc(N2CCSCC2)cc1C 51673662 ZNBWIHGRVAGCKP-CYBMUJFWSA-N 307.463 3.468 0 40 DGAB COC(=O)CCc1c[nH]c2c(F)cc(Br)cc12 1857793171 XROVRNZARVMLQK-UHFFFAOYSA-N 300.127 3.175 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)CCc1ccccc1 131865 WGRHOWCYMRVEBH-UHFFFAOYSA-N 311.381 3.364 0 40 DGAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(Cl)c3)C2=O)o1 60346121 MEWMNDBFWAHXSZ-MRXNPFEDSA-N 318.760 3.209 0 40 DGAB CCC(=O)N1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 69527556 SBXMYZVZCWLXCZ-LBPRGKRZSA-N 306.164 3.442 0 40 DGAB CCOC(=O)c1cn(CC)c2ccc3ccsc3c2c1=O 1636349 IHCTTYHYQHWNEU-UHFFFAOYSA-N 301.367 3.413 0 40 DGAB CC(=O)OCCCn1c(C)[n+](C)c2cc(Cl)c(Cl)cc21 1881698 CTQAOSQOPCSSKT-UHFFFAOYSA-N 316.208 3.034 0 40 DGAB COc1ccc(S(=O)(=O)N2C[C@]3(C)C[C@H]2CC(C)(C)C3)cc1 3378860 TZVKMTAZWTZMBU-CXAGYDPISA-N 323.458 3.285 0 40 DGAB O=C(COC(=O)c1ccccc1Nc1ccccc1)NCC1CC1 22500040 FZBZCCGLRLJRJO-UHFFFAOYSA-N 324.380 3.113 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N[C@@H](C)Cn1ccnc1 54508668 CCBFJYHHNWTUOK-NSHDSACASA-N 322.796 3.145 0 40 DGAB O=C(NCCc1ccco1)c1cc(Cl)cc2cccnc12 54913737 YQAPKEMCYBRCET-UHFFFAOYSA-N 300.745 3.454 0 40 DGAB O=C(Cn1cccn1)Nc1ccc(OCc2ccccc2)cc1 24970850 DZSRIEWZPXLLNG-UHFFFAOYSA-N 307.353 3.101 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cccc2cn[nH]c12 25113199 YPPISKBWSREWSG-GFCCVEGCSA-N 309.369 3.405 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1OCC(F)(F)F)n1ccnc1 56482437 PEVDDVAOLCJRFW-JTQLQIEISA-N 313.279 3.024 0 40 DGAB Cc1ccc(S(=O)(=O)NCCSc2ccccc2)c(C)c1 26358415 LWPUIUVXWQHVRF-UHFFFAOYSA-N 321.467 3.374 0 40 DGAB CS(=O)(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 3354303 VFKCQKAOKHSKNG-UHFFFAOYSA-N 322.352 3.067 0 40 DGAB COC(=O)C1=C(C)O[C@@H](CN2CCC[C@@H]2c2ccccc2C)C1 108138939 CTXTVPVUAQGOAY-CRAIPNDOSA-N 315.413 3.368 0 40 DGAB COC(=O)C1CCN(C(=O)c2sc3ccccc3c2C)CC1 44873326 PSDMGPUYEPPLRK-UHFFFAOYSA-N 317.410 3.235 0 40 DGAB Cc1ccc2cc(C(=O)Nc3ccc(-n4cncn4)cc3)[nH]c2c1 84209984 YPDWMECBRXTZFI-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB COC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2)cc1 29621834 BHOUTJBZSQMZGA-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB CCCOc1ccc(C(=O)NCc2ccncc2)cc1OCC 45050889 NOCMSTRUDQQIIE-UHFFFAOYSA-N 314.385 3.199 0 40 DGAB CC(C)(C)c1nc(-c2ccc(NC(=O)c3cnccn3)cc2)no1 58417580 XAEZZLIQKHDOFD-UHFFFAOYSA-N 323.356 3.076 0 40 DGAB O=C(NC1CC1)[C@H](Sc1ccc(Cl)nn1)c1ccccc1 10653641 KJGIZXCJBXRMGZ-CQSZACIVSA-N 319.817 3.242 0 40 DGAB COc1ccc(CNC(=O)c2cccc3c2ccn3C)cc1OC 36369859 ORDLYULQYROLKN-UHFFFAOYSA-N 324.380 3.126 0 40 DGAB biogenic COc1ccc(CN2C(=O)CN=C2Nc2cc(C)ccc2C)cc1 20143135 PGRXTAWOUHFOEW-UHFFFAOYSA-N 323.396 3.122 0 40 DGAB CCCCSc1nnc(CCNC(=O)OC(C)(C)C)o1 2409308 WEZDGFSYNKHLDH-UHFFFAOYSA-N 301.412 3.029 0 40 DGAB O=C1C[C@H](c2nc(-c3ccccc3)no2)CN1Cc1ccccc1 38671097 KRNICKZMXZVARN-INIZCTEOSA-N 319.364 3.253 0 40 DGAB O=C(CCCOc1ccc(Cl)cc1)NCc1ccccn1 14000150 VISZWASTFQIGLD-UHFFFAOYSA-N 304.777 3.210 0 40 DGAB COc1cc(/C=C/C(=O)N2CCc3ccccc32)cc(OC)c1 14185065 ORUJFWZXMQBMHV-BQYQJAHWSA-N 309.365 3.306 0 40 DGAB CCc1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14196949 FLDIABUUFIPXSM-JXMROGBWSA-N 307.353 3.071 0 40 DGAB Cc1[nH]c2ccc(C(=O)OCc3ccc(C(N)=O)cc3)cc2c1C 14188102 KOBPTGKLVMELNE-UHFFFAOYSA-N 322.364 3.241 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCCCC2)c1)c1ccncc1 14555902 VDEODSULVWCQEU-UHFFFAOYSA-N 323.396 3.350 0 40 DGAB CCc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 5686721 RCSXFTMBTOUQMF-UHFFFAOYSA-N 324.332 3.499 0 40 DGAB biogenic Cc1cc(C)cc(C(=O)NCCc2ccc3c(c2)OCCO3)c1 5638038 YPAIYMATRSHMCZ-UHFFFAOYSA-N 311.381 3.047 0 40 DGAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(F)cc1F 7405616 KOKLDBFGYNFHMX-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1F 7535859 ZBMSGSCYTPCHRP-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB C[C@@H](SCC(=O)NC1CCCC1)c1nc2ccccc2[nH]1 7942267 SNJOIAIIPVJFRN-LLVKDONJSA-N 303.431 3.416 0 40 DGAB CCOc1cccc(C(=O)Nc2ccccc2-c2nncn2C)c1 68725512 AFLWJZUNCPUHRB-UHFFFAOYSA-N 322.368 3.133 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)N1CC2(CCCC2)c2ccccc21 81528474 UROBVMAAWBWCRT-HNNXBMFYSA-N 324.428 3.313 0 40 DGAB Cc1ncc(C(=O)NCCc2ccccc2F)c(C(C)C)n1 70037181 GOVOVVZJZQPRPP-UHFFFAOYSA-N 301.365 3.020 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2)cc1 9314273 QYBRFDFYYUHOIZ-LLVKDONJSA-N 300.333 3.275 0 40 DGAB Cc1cc([C@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)c(C)o1 71836616 YKHJMDPJJSBYCV-NSHDSACASA-N 310.353 3.229 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(Cl)s1 71880533 BXQRPXPJNARZBR-KGLIPLIRSA-N 312.866 3.377 0 40 DGAB CCc1nc(CN(C)Cc2nnc(-c3cccs3)o2)cs1 71910849 LSFJIPTZXCJEIA-UHFFFAOYSA-N 320.443 3.449 0 40 DGAB COCc1ccccc1NCc1cc(OC)c(OC)c(OC)c1 97393538 HNIWVMMUPFQJGT-UHFFFAOYSA-N 317.385 3.471 0 40 DGAB COc1ccc([C@@H]2CCCN2c2ccc3nccnc3n2)cc1 83943961 ZZVKUIDUFCFMAH-INIZCTEOSA-N 306.369 3.375 0 40 DGAB COc1ccc2cccc(NC(=O)CCc3cccnc3)c2n1 95454152 DSPGBTNWEKXBMC-UHFFFAOYSA-N 307.353 3.210 0 40 DGAB CN(C)[C@H](CNc1cc(C(F)(F)F)ccn1)c1cccnc1 95408672 NLWDQRAMJGTJLP-CYBMUJFWSA-N 310.323 3.210 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(CC(=O)c3ccccc3O2)C1 88613744 VXPLDEWVQHLNAA-KRWDZBQOSA-N 303.358 3.031 0 40 DGAB in-vitro CC(=O)c1ccc(CNC(=O)c2ccc(F)cc2Cl)nc1C 95977918 UBLIJJGYFFXNJY-UHFFFAOYSA-N 320.751 3.315 0 40 DGAB Cc1cc(NCc2csc(-c3ccco3)n2)ccc1C(N)=O 75110274 SWCKQYLSPWRPGI-UHFFFAOYSA-N 313.382 3.423 0 40 DGAB CC(C)c1noc(CN2CCSC[C@H]2c2ccccc2)n1 75139858 IBODOBURFYUZPO-AWEZNQCLSA-N 303.431 3.483 0 40 DGAB CC(C)[C@@H](NC(=O)[C@@H](C)Sc1ccccn1)c1ccccn1 89801811 ZIVKPKIPUZOIBN-CZUORRHYSA-N 315.442 3.471 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@H](CC)C1 89949161 ZUJJUNHZHFKKHQ-IUODEOHRSA-N 321.490 3.147 0 40 DGAB COc1ccc(C(=O)Nc2ccc(CC(=O)O)cc2)cc1Cl 20142260 ITBMMCGJIQLKMQ-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB CCN(CC)CN1C(=O)S/C(=C/c2cccc(F)c2)C1=O 408718160 NIICOAIYHBOPGL-UKTHLTGXSA-N 308.378 3.161 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(OC)c2)C1=O 409245463 UBGRYXWETMXYRW-UKTHLTGXSA-N 307.371 3.150 0 40 DGAB C[C@H]1CN([C@@H](CN)c2ccc(Cl)c(Cl)c2)C[C@H](C)O1 36108195 XFLUILIYAOXTNV-BHDSKKPTSA-N 303.233 3.102 0 40 DGAB CC[C@H](C(=O)OCCOCCN(CC)CC)c1ccccc1 2017415 DDVUMDPCZWBYRA-KRWDZBQOSA-N 307.434 3.082 0 40 DGAB biogenic,in-man COc1ccc(-c2csc(CCNC(=O)C3CCC3)n2)cc1 72264886 NKYVPKTUZZOKNZ-UHFFFAOYSA-N 316.426 3.278 0 40 DGAB O=C(Cc1cc(-c2ccccc2F)on1)NCc1ccccc1 38497428 HFDXHCQUWRJYRJ-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB O=C(NCc1ccc(O)cc1)c1cc(-c2cccc(F)c2)no1 48277418 NSGIBXFDSOQMNQ-UHFFFAOYSA-N 312.300 3.116 0 40 DGAB CO[C@H]1CC[C@@H](NC(=O)Nc2cccc(N(C)C(C)C)c2)C1 189581119 RYSWXDXJBGGJBN-ZBFHGGJFSA-N 305.422 3.220 0 40 DGAB O=C(Nc1ccc2c(c1)C(=O)NCC2)Nc1ccccc1Cl 70638328 JUKXTQYAIVJKRW-UHFFFAOYSA-N 315.760 3.270 0 40 DGAB Cn1cncc1-c1noc(C2(c3ccccc3F)CCCC2)n1 569738060 SIACSGLUVABBDZ-UHFFFAOYSA-N 312.348 3.469 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccc3nccnc3c1)SCC(O)=N2 44901938 BGMHURBLSHTGSU-AWEZNQCLSA-N 311.370 3.086 0 40 DGAB COc1ccccc1CNC(=S)Nc1c(F)cccc1F 225312626 PMWJUVKMDIXNSZ-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB COC(=O)[C@H](NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 195530458 ZBKHHAXHTHALAJ-AXFHLTTASA-N 323.355 3.059 0 40 DGAB O=C(NCCC1CC1)Nc1ccc(OCC2CCOCC2)cc1 96435074 MDPXRLYOEMQUGA-UHFFFAOYSA-N 318.417 3.414 0 40 DGAB CN(C)CC(=O)Nc1ccc(NCc2ccc(F)cc2F)cc1 96482884 MUKJGCKRIDLDJI-UHFFFAOYSA-N 319.355 3.077 0 40 DGAB CC(C)c1noc(Cc2ccc(NC(=O)N3CCCC3)cc2)n1 330032789 RVZXBPNTIGMGQV-UHFFFAOYSA-N 314.389 3.412 0 40 DGAB c1ccc(CN2CCO[C@@H]3[C@@H](OCc4cccnc4)CC[C@@H]32)cc1 96065712 UCZFMYLEMUBIAL-UFYCRDLUSA-N 324.424 3.030 0 40 DGAB Cc1noc(C)c1CN1CC[C@H]2OCCC[C@]2(COC(C)C)C1 96040502 YIFJLDWXQHYNLK-QZTJIDSGSA-N 322.449 3.088 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257220745 DLZCUEURCQPFIZ-FVNWOWOISA-N 307.397 3.204 0 40 DGAB COC(OC)[C@H](C)Sc1nnc2sc3ccccc3n12 585119255 ZJMVWLBHKMGMKS-QMMMGPOBSA-N 309.416 3.044 0 40 DGAB C[C@]1(c2ccccc2)CN(C(=O)c2cc(C(F)F)on2)CCO1 585132407 VVDQZPBRXDIXKJ-MRXNPFEDSA-N 322.311 3.000 0 40 DGAB CCn1c(S[C@@H]2CCC[C@@H](OC)C2)nnc1-c1cccnc1 585119126 SGCKGIOOLUZECN-ZIAGYGMSSA-N 318.446 3.410 0 40 DGAB Cc1cc(N2CCC[C@](C)(C(=O)Nc3ccccc3)C2)ncn1 257283449 OYJUWLLKBKUWEO-SFHVURJKSA-N 310.401 3.030 0 40 DGAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2cncs2)ccn1 257338065 YVQPZRFVFIUERS-AWEZNQCLSA-N 301.415 3.084 0 40 DGAB O=c1c2sccc2ncn1Cc1cccc(OC(F)F)c1 50247691 QXYTXYWYQUPYNM-UHFFFAOYSA-N 308.309 3.108 0 40 DGAB C[C@H](NC(=O)CSc1ccncc1)[C@H](C)c1ccccc1 78974552 JQEVLUHAOOXQGH-KBPBESRZSA-N 300.427 3.482 0 40 DGAB Clc1ccc(CSc2nnnn2C2CCOCC2)s1 95950608 XNVZWDCCYLIXJT-UHFFFAOYSA-N 316.839 3.032 0 40 DGAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1OC 5724863 CVODXINLPUSFMS-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB O=C(Nc1ccc(Br)cn1)c1cccnc1Cl 14257975 AWNKROZRRITTNY-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)n1-c1ccccc1)C(=O)O 15838453 SOVHQWURWBWHFZ-JTQLQIEISA-N 315.354 3.093 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CC[C@@H](c4cc[nH]n4)C3)cc2c1C 1848352345 QYPKGYPUXUJCAP-CQSZACIVSA-N 308.385 3.138 0 40 DGAB Cc1ccccc1CC(=O)NCCCN1CCc2ccccc2C1 32399824 VAXSFOGGHLLWSS-UHFFFAOYSA-N 322.452 3.102 0 40 DGAB CCCCC(=O)N1CCC[C@](O)(COc2ccc(F)cc2)CC1 2037912562 ORUHDXSJVXKUGQ-GOSISDBHSA-N 323.408 3.138 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCS[C@H](c2ccccc2)CC1 206988656 YSAYHXHLFMMOCK-HNNXBMFYSA-N 321.442 3.035 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1ccncc1 30936797 ZFNYNAAYUZOCJX-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CCCOc1cccc(C(=O)NC2CCN(C(C)C)CC2)c1 20595685 NQJPOJAIZPQBHX-UHFFFAOYSA-N 304.434 3.078 0 40 DGAB Cc1cccc(/N=c2\scc(-c3ccc(O)cc3O)n2C)n1 101715248 AUKCETAOCPTGIW-VLGSPTGOSA-N 313.382 3.101 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCCc1ccccc1 69517964 WBIOZJPZACILNG-MSOLQXFVSA-N 300.446 3.095 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)c(C)c1 130724 ZIFVXIAMLCJHLG-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)O)n1-c1ccccc1 2656410 FQFZXGQHTAWYDN-UHFFFAOYSA-N 315.354 3.012 0 40 DGAB O=C(NC1C[C@H]2CCC[C@H](C1)N2C1CC1)c1ccc(F)cc1 1369705 KMBPKEFRAXNVLW-IAGOWNOFSA-N 302.393 3.103 0 40 DGAB COc1ccc(C2=C[C@H](c3ccsc3)n3ncnc3N2)cc1 102066590 PVOLCECBRBPIRA-OAHLLOKOSA-N 310.382 3.404 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(NC3CC3)s2)c1 7577339 YTLSVEVWRRDCKN-UHFFFAOYSA-N 320.443 3.152 0 40 DGAB O=C(COc1ccccc1-c1ccccc1)NCc1cccnc1 32998149 WMSHSTQHSYMZHM-UHFFFAOYSA-N 318.376 3.444 0 40 DGAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 108322034 PDPLCFMKGBFZBX-RVSPLBMKSA-N 303.402 3.351 0 40 DGAB O=C(NCc1cn2ccccc2n1)Nc1nc2ccccc2s1 9978067 OOBJKJXRENDONQ-UHFFFAOYSA-N 323.381 3.266 0 40 DGAB C[C@@]12CC3CC(C(=O)NCCCn4ccnc4)(C1)C[C@@](C)(C3)C2 100797478 XMVLIXKFHPYDPO-FTJRRQOFSA-N 315.461 3.386 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@H]1C[C@@H]2CC[C@@H]1C2 102897186 MNJSXVUTJGKXPU-IIDMSEBBSA-N 300.446 3.191 0 40 DGAB O=C(OCc1nc(-c2cccc(F)c2)no1)c1ccsc1 51315091 RMKOQTRWERYDEU-UHFFFAOYSA-N 304.302 3.294 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 24050248 DGSGKLCRXQNSSF-KRWDZBQOSA-N 319.364 3.126 0 40 DGAB O=C(c1ccn(-c2cccc(F)c2)n1)N1Cc2ccccc2C1 105976357 SDSPWJUXTZBPBX-UHFFFAOYSA-N 307.328 3.167 0 40 DGAB Cc1cn2c(CC(=O)Nc3ccc(F)cc3C)csc2n1 24974094 RMRAZRWJPRBMTH-UHFFFAOYSA-N 303.362 3.333 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)sc1C 72297386 MLHRLYPZTWEKFN-CYBMUJFWSA-N 306.431 3.160 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1CCc1ccc(OC)cc1 106902050 RDABJEJOYXEODW-SZMVWBNQSA-N 317.429 3.044 0 40 DGAB C[C@@H](C(=O)O)N(C(=O)OCc1ccccc1)C1CCCCC1 59766136 VZXOCAKIHSMHOS-ZDUSSCGKSA-N 305.374 3.431 0 40 DGAB Cc1ccc(C)c(SCC(=O)c2ccc3[nH]c(=O)[nH]c3c2)c1 3305301 YQGTUPFHUMCWAD-UHFFFAOYSA-N 312.394 3.448 0 40 DGAB Cc1cc(C(=O)CNC(=O)NCc2cccs2)c(C)s1 58175652 JDKFBXTYXMKOHL-UHFFFAOYSA-N 308.428 3.109 0 40 DGAB CCCNC(=O)[C@@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12763155 LVDUDSKUSUFRCZ-VQCYPWCPSA-N 322.459 3.043 0 40 DGAB O=C1CSc2ccc(NC(=O)c3cc(F)cc(F)c3)cc2N1 9514823 ZBTHRCCBRARPDC-UHFFFAOYSA-N 320.320 3.261 0 40 DGAB COc1ccc([C@H](C)NC(=O)N(C)Cc2cc(C)on2)cc1F 44967108 FILGOLJDCLJLGQ-NSHDSACASA-N 321.352 3.033 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 48382423 RGQWVNYADJZTDK-UONOGXRCSA-N 317.385 3.389 0 40 DGAB CCCc1noc([C@@H](C)Sc2nnc(-c3cccnc3)o2)n1 48325209 JMXNRXGMWFWRSG-SECBINFHSA-N 317.374 3.320 0 40 DGAB CC(=O)COC(=O)c1ccc(-c2ccc(OC(C)=O)cc2)cc1 3425542 BFIBJGCPPCODIR-UHFFFAOYSA-N 312.321 3.025 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@@H]1COc2ccccc2O1 3559739 RWZAIHHFBKOVIK-ZDUSSCGKSA-N 312.350 3.075 0 40 DGAB Cc1ccccc1CNC(=O)NC[C@H](c1ccsc1)N(C)C 12984156 KLUFJKOTOYUHHC-MRXNPFEDSA-N 317.458 3.159 0 40 DGAB CN1CCN(C(=S)NC2CCCCC2)[C@@H](c2ccccc2)C1 18165976 KMWFBJGMSJUHQE-QGZVFWFLSA-N 317.502 3.182 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)c1cnn(-c2ccccc2)c1 13258688 XHRNJPVFAYAFNM-UHFFFAOYSA-N 321.336 3.131 0 40 DGAB CC[C@@H](NCC(=O)Nc1ccccc1F)c1c(C)noc1C 97111118 OEKDWSAKQQRUCA-CYBMUJFWSA-N 305.353 3.110 0 40 DGAB Cc1ccc(C[C@@H]2CCCN([C@@H](C(N)=O)c3ccccc3)C2)cc1 65260905 FXQKLJFGBGTUDV-AZUAARDMSA-N 322.452 3.476 0 40 DGAB O=C(Oc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 28255848 KIPKHJLBQOSRKG-UHFFFAOYSA-N 317.291 3.311 0 40 DGAB CCCCC1=N[C@@H]2Sc3c(NN)ncnc3[C@@H]2C2=C1CCC2 6309910 QZTDZQSWEYDDAF-BLLLJJGKSA-N 315.446 3.403 0 40 DGAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 4477000 POLNACHDZLRYJG-SFHVURJKSA-N 312.344 3.101 0 40 DGAB Cc1[nH]c(=S)sc1CC(=O)Nc1ccc2c(c1)OCO2 14201811 IOTQVMUZKYOKBJ-UHFFFAOYSA-N 308.384 3.024 0 40 DGAB Cc1ccc(N2C(=O)/C(=C/c3ccc[nH]3)N(C)C2=S)cc1C 409124425 HOUJERXNRMBRKJ-GDNBJRDFSA-N 311.410 3.236 0 40 DGAB O=c1c2ccccc2[nH]c(=S)n1CCCOCc1ccco1 7047572 FKLAQPUUQRRZOX-UHFFFAOYSA-N 316.382 3.259 0 40 DGAB Cn1cc(C(=O)N2CCC[C@H]3CCC[C@H]32)c(C(F)(F)F)c1 96006713 DMICFMROWQJBNF-ZWNOBZJWSA-N 300.324 3.449 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)NCc1ccccc1F 7883628 KYNLVCOCASWKPP-UHFFFAOYSA-N 315.373 3.111 0 40 DGAB C[C@]12CC[C@@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931953 DKUUGJBEWAAWFQ-VFHQIZHWSA-N 322.489 3.112 0 40 DGAB COc1ccc(-c2cn3c(CCC(=O)O)csc3n2)cc1 16954761 OMOMZIIGCIEAFE-UHFFFAOYSA-N 302.355 3.089 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)[C@H](C)c2c(C)noc2C)no1 69533134 WJUWXBXGWLBFEU-QMTHXVAHSA-N 303.362 3.055 0 40 DGAB Cc1ccccc1OCCN1C(=O)NC2(CCCCCC2)C1=O 9584612 CXOLBKCNOHBITA-UHFFFAOYSA-N 316.401 3.019 0 40 DGAB Nc1nnc(/C(=C/c2ccc3c(c2)OCO3)c2ccccc2)s1 408718108 JXHKSMQDTWNHAT-MDWZMJQESA-N 323.377 3.438 0 40 DGAB Cc1nc2ncnn2c(N2CCC(c3ccccc3)CC2)c1C 77188599 BHWMLAVYEOHMQU-UHFFFAOYSA-N 307.401 3.125 0 40 DGAB COc1ccc(CCCC(=O)Nc2cnccc2OC)cc1F 84539291 AOMILJBXCZTKAE-UHFFFAOYSA-N 318.348 3.199 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)Nc1cc(C(=O)O)ccc1F 95349599 CATXULOBFPQXAG-UHFFFAOYSA-N 312.300 3.186 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2ccc(F)cc2F)ccc2cncn12 95465113 WLSBXIKOGHBPLB-SNVBAGLBSA-N 315.323 3.412 0 40 DGAB Cc1ccccc1C1CCN(C(=O)c2nccn3ccnc23)CC1 95962384 FYAVDXSJDIKYQQ-UHFFFAOYSA-N 320.396 3.058 0 40 DGAB CC(C)n1cc([C@@H](C)NC[C@@]2(O)CCCc3ccccc32)cn1 95967853 XTXPPEICVCQWLD-BEFAXECRSA-N 313.445 3.339 0 40 DGAB O=C(O)c1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1 95969748 DJWAPGVRVBRXFU-UHFFFAOYSA-N 316.382 3.041 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NC(=O)CSc1ccncc1 79022566 GLGIASQXPGLGPJ-ZIAGYGMSSA-N 310.488 3.354 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2)CC1 408708276 XCUQZOPHPAMEEP-UHFFFAOYSA-N 302.418 3.346 0 40 DGAB COc1ccc(OC)c(C(=S)NCc2ccccc2OC)c1 408572289 IJKXFYHVAFVNOL-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB O=C(N[C@@H]1CCOc2ccc(F)cc21)c1coc(CC2CC2)n1 187658050 ADZCNWTYBTTXAQ-CYBMUJFWSA-N 316.332 3.020 0 40 DGAB CN(Cc1ccc(CCC(C)(C)O)cc1)C[C@@H]1CCCCO1 72438243 ZNKIKZJUIZNXRB-SFHVURJKSA-N 305.462 3.391 0 40 DGAB O=C(NCc1ccc(F)cc1)c1nc2cc(Cl)ccn2c1F 66089297 PWMCFRPGCQCRNZ-UHFFFAOYSA-N 321.714 3.196 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1cccs1 73013985 XOFLTZNRQVMBEL-NSHDSACASA-N 304.371 3.052 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccc(C)o1)c1ccccc1Cl 30375689 LJKJWLKZNGXOCX-ZDUSSCGKSA-N 321.760 3.276 0 40 DGAB CN1C[C@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 31903435 XMOQCEUOYFYMBU-MRXNPFEDSA-N 319.408 3.225 0 40 DGAB COC[C@H](C)NC(=O)Nc1cccc(N2CCCCCC2)c1 77723795 AGHGBAIZWHFFBK-AWEZNQCLSA-N 305.422 3.223 0 40 DGAB O=C(c1cncs1)N1CC[C@H](Cc2cncc3ccccc23)C1 72368462 BSJLFHZUHNKEJB-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB Cc1cc(F)ccc1[C@H]1CCCN1C(=O)c1cnn2ncccc12 564539101 TVVUYGQWRQLDTH-MRXNPFEDSA-N 324.359 3.154 0 40 DGAB Cc1ccc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)nc1 226747332 RNHMATWKSCAKOG-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccccc3C(F)(F)F)=NN[C@@H]2C1 228924584 ZJDLHPOKCHFHHP-YPMHNXCESA-N 310.319 3.387 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N[C@@H]2C[C@]2(C)OC(C)C)cc1F 527636209 RHICQNUWCJAMMN-JGFGOQIWSA-N 324.396 3.151 0 40 DGAB O=C(NCc1cnn2ccccc12)C12CC3CC(CC(C3)C1)C2 75162713 POOLCMKCBXYRNF-UHFFFAOYSA-N 309.413 3.167 0 40 DGAB COc1c(Cl)cc(-c2nn3cnnc3s2)cc1Cl 226285992 BREPBZOHTRYIMZ-UHFFFAOYSA-N 301.158 3.168 0 40 DGAB Cc1ccsc1CN(C)C(=O)c1cc(F)cc2[nH]cnc12 80209867 TWGJLMJLUBFANM-UHFFFAOYSA-N 303.362 3.344 0 40 DGAB C[C@@H]1CCO[C@H]1C(=O)N(C)c1ncc(-c2ccccc2)s1 195546099 XTUQMLQUEOIKBB-BXUZGUMPSA-N 302.399 3.198 0 40 DGAB C[C@@H](O)CCN[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C 195553588 LUSGTYRQXSEEKN-NXEZZACHSA-N 315.339 3.014 0 40 DGAB CCSc1nnc(NC(=O)c2ccc(OC)c(C)c2)s1 225702172 XSXVGEFSYVPMPW-UHFFFAOYSA-N 309.416 3.219 0 40 DGAB Cc1csc(C(=O)N[C@H](c2cccnc2)C2CCOCC2)c1 225617063 UADHVFHDDSLQTB-INIZCTEOSA-N 316.426 3.349 0 40 DGAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1cccc(C)c1 199416057 SGRGJVDMPPTZKH-LJQANCHMSA-N 309.409 3.485 0 40 DGAB Cc1occc1C(=O)N[C@H](C)[C@@H](O)c1c(F)cccc1Cl 96449153 BQPGIQZSNORGRL-XLKFXECMSA-N 311.740 3.232 0 40 DGAB C[C@@H](NC(=O)NCC[C@H](O)C(F)(F)F)c1cccc(Cl)c1 95399095 PWPCQUGURANXDV-KCJUWKMLSA-N 324.730 3.014 0 40 DGAB O=C1C[C@H]2C[C@@H]1[C@H](C(=O)Nc1ccc3c(Cl)cccc3n1)C2 333965340 PWGLIXPRAXKXAE-MVWJERBFSA-N 314.772 3.442 0 40 DGAB CC[C@H](NC(=O)N1CCC[C@H]1c1cc(C)no1)c1nccs1 331373006 APZORMHNMSTLBB-RYUDHWBXSA-N 320.418 3.437 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccnc(C)c2)o1 97100060 IGVBEHWXXSVSRG-HNNXBMFYSA-N 315.373 3.151 0 40 DGAB Cn1c(SCCC(=O)c2ccc(F)cc2)nnc1C(F)F 96501485 LPSAFQVXFIOEMC-UHFFFAOYSA-N 315.320 3.257 0 40 DGAB c1cncc(CO[C@@H]2CN(C3CCCC3)Cc3cccn3C2)c1 253588932 ZKRNZIKJTSAMGS-IBGZPJMESA-N 311.429 3.227 0 40 DGAB COCCOc1cccc(C(=O)Nc2cc(O)c(C)cc2C)c1 584908587 DBYZCSOOQAWCJY-UHFFFAOYSA-N 315.369 3.287 0 40 DGAB CN(C(=O)c1cccc([C@@H]2CCOC2)c1)C1Cc2ccccc2C1 270494407 UVLKTZYJEFJTBB-LJQANCHMSA-N 321.420 3.430 0 40 DGAB Cc1cc(C(=O)N2CCN(C)c3ccccc32)nn1[C@H](C)C1CC1 390834108 RZJCPMDIOREISQ-CQSZACIVSA-N 324.428 3.259 0 40 DGAB O=C(O)[C@@H]1CCCN1C[C@H]1C[C@H]1c1ccc(Br)cc1 575424152 VVVQQYBZHHIMOZ-XBFCOCLRSA-N 324.218 3.102 0 40 DGAB Cc1cc(N/N=C2/CCCOc3ccc(F)cc32)nc(C)n1 43989469 RPUXCMAIOGLCRY-ZHZULCJRSA-N 300.337 3.221 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)cc2c1 69619091 QXGYKCFPGHBXPX-ROUUACIJSA-N 311.429 3.175 0 40 DGAB CCc1ccc(OCC(=O)NCCOc2ccc(C)cc2)cc1 5717086 GZTQLWKYOQWIOB-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCCCNC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 5778943 NYSSNOARLJPCGQ-UHFFFAOYSA-N 319.430 3.362 0 40 DGAB COc1ccccc1-c1noc([C@H](C)NC(=O)c2ccccc2)n1 13495176 SWCJGCYVIGNRLC-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB CCCNC(=S)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 13555857 BHKIISXBZLKOPG-GFCCVEGCSA-N 302.447 3.027 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H]1C 15792290 FUVCXUZCNAREEJ-PMUMKWKESA-N 301.430 3.495 0 40 DGAB COc1cc2ccccc2cc1C(=O)NCCCOC(C)C 17408309 SHCJAWKZBCQKQK-UHFFFAOYSA-N 301.386 3.393 0 40 DGAB C[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(C(=O)O)cc1 19815877 NOEWMQAPQGHRFC-JTQLQIEISA-N 319.744 3.444 0 40 DGAB COc1cc(CN(C)C(=O)C(C)(C)F)c(SC)cc1OC 157460554 YVYGTCICIKJDTR-UHFFFAOYSA-N 315.410 3.132 0 40 DGAB O=C1N/C(=C/c2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1 209394351 JILGECDRGZFEBM-LICLKQGHSA-N 317.348 3.261 0 40 DGAB O=C(NC[C@]1(O)CCCc2sccc21)c1ccccc1Cl 1889122651 VHHAJRIUNSDLFH-MRXNPFEDSA-N 321.829 3.355 0 40 DGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)Nc2ccccc2)c1 14180539 DAJPWGAQTGJCLQ-UHFFFAOYSA-N 311.385 3.406 0 40 DGAB Cc1cnc(OC[C@@H]2CCCN(CCc3ccccc3)C2)nc1 1776001030 VPJNOAHOZOFQBN-GOSISDBHSA-N 311.429 3.119 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2ccc(C)cc2)o1 4329716 LLFWEODWXAISQF-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB COc1ccc(C(=O)Nc2ccc3c(c2)CCCN3C(C)=O)cc1 5373543 LZKJTYPIOAHWSP-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB O=C(/C=C/c1ccoc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225677803 NDZXYYVLTITKHL-AWXVTKJVSA-N 311.337 3.038 0 40 DGAB CC[C@H](C(=O)NC[C@H](c1ccco1)n1cccn1)c1ccccc1 575613661 JQBRBVLWRSVUMJ-DLBZAZTESA-N 323.396 3.376 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ncc(Cl)cc2F)C1 2298175116 SPCZQGHMYIFYPV-LLVKDONJSA-N 313.804 3.005 0 40 DGAB Cn1c(-c2cnc(N3CCCC3)nc2)nc2cc(Cl)ccc21 40153304 XPZMCOATCFGLGW-UHFFFAOYSA-N 313.792 3.284 0 40 DGAB O=C(c1ccccc1)C1CCN(C[C@@H](O)c2ccccc2)CC1 40487742 FMMURWOQSJRIOQ-LJQANCHMSA-N 309.409 3.315 0 40 DGAB CCn1nc(C)cc1-c1nn2c(-c3cccs3)nnc2s1 32102306 GIYUDNVODPUWGV-UHFFFAOYSA-N 316.415 3.106 0 40 DGAB Cc1cccc(NC(=O)C[C@@H]2Nc3cc(C)c(C)cc3NC2=O)c1 65853 JIENRSPCHXKYHP-KRWDZBQOSA-N 323.396 3.373 0 40 DGAB CCOC(=O)c1ccc2ncc(C(=O)c3ccccc3)c(O)c2c1 248705 GKBIZHOQVDUGPX-UHFFFAOYSA-N 321.332 3.348 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)sc1C 29893520 FDJUBNYWVZEJBL-LLVKDONJSA-N 318.446 3.174 0 40 DGAB CN(C)c1ccc(CCCNC(=O)Cc2ccccc2F)cc1 32818569 BMTALNBKRDJKHZ-UHFFFAOYSA-N 314.404 3.183 0 40 DGAB C[C@H](SCc1ccc(CS[C@@H](C)C(=O)O)cc1)C(=O)O 6182873 UUMQQJSRFZVGKG-UWVGGRQHSA-N 314.428 3.099 0 40 DGAB Cc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c(C)c1 6678341 TTZUZBWTKZASNW-FZMZJTMJSA-N 301.415 3.498 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2ccccc2Cl)c(C)c1 7375247 SMQMHUXHDXWLKM-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB CC[C@@H](C)NC(=S)Nc1cnn(Cc2cccc(F)c2)c1 2793803 OPJMASVLQWILRL-LLVKDONJSA-N 306.410 3.155 0 40 DGAB CSc1ccc(CN2CCN(c3ccccc3O)CC2)cc1 57440568 SWAHZFQNEQKWIC-UHFFFAOYSA-N 314.454 3.436 0 40 DGAB CCOc1cc(C(=O)Nc2ccccc2OC)ccc1OC 10039425 LHHSNPPFIMHOHI-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB CCOc1c(CNCCc2ccc(OC)cc2)cccc1OC 8253469 HLYJKPDATFTQPR-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB O=C1COc2c(Br)cc(-c3ccccc3)cc2N1 57340666 RUEJRFKZVQPRFM-UHFFFAOYSA-N 304.143 3.447 0 40 DGAB COCCCCC(=O)Nc1ccnn1-c1ccc(Cl)cc1 76067922 PLYHNWLWZVGNKJ-UHFFFAOYSA-N 307.781 3.281 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)NCCCn1ccnc1 47765814 ZLDPOFMIVMWWQM-UHFFFAOYSA-N 316.405 3.192 0 40 DGAB CCc1nccn1[C@H]1CCCN(CCOc2ccc(F)cc2)C1 106216975 DHFMMSAOXFGLPY-INIZCTEOSA-N 317.408 3.301 0 40 DGAB [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])[C@@H]2CCCC[C@H]21 100385081 NTSVJVRLDPGQJC-QZTJIDSGSA-N 320.392 3.310 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@H]1c1c(F)cccc1F 25309512 KBWHZRJJUKYMRB-MRXNPFEDSA-N 318.323 3.178 0 40 DGAB COc1ccc(C=O)cc1OCC(=O)Nc1ccc(C)c(C)c1 3344907 MRUOUFDDUXMBNH-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB Cc1cc(S(=O)(=O)NCc2cccs2)c(C)c(C)c1C 35170697 NNRJBBMILUIEFA-UHFFFAOYSA-N 309.456 3.460 0 40 DGAB COc1ccc(OC)c2sc(NCc3cccnc3)nc12 26422529 MTHXZSDELLIGNO-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB Cc1nc(Oc2cccnc2)c2cnn(-c3ccc(F)cc3)c2n1 58180447 BXKSBWIMOZQWHZ-UHFFFAOYSA-N 321.315 3.450 0 40 DGAB C[C@@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1 58169188 BTAWAEHNBFWQON-CZUORRHYSA-N 305.443 3.045 0 40 DGAB C[C@@H](NC(=O)COc1cccc2c1CCC2=O)c1cccs1 44892875 YDOPLSYWJKVNSX-LLVKDONJSA-N 315.394 3.133 0 40 DGAB CN(CCNC(=O)Cc1ccccc1Cl)c1ccccc1 53207086 MEEAXHOUKGXIST-UHFFFAOYSA-N 302.805 3.135 0 40 DGAB COc1ccc(-c2csc(Nc3cnn(C)c3)n2)c(OC)c1 58313284 HTFCDVDUIUNDRD-UHFFFAOYSA-N 316.386 3.304 0 40 DGAB Cc1cc(C(=O)OCc2cccnc2)c2cnn(C(C)C)c2n1 10809982 AUTROJFYZXHBIY-UHFFFAOYSA-N 310.357 3.073 0 40 DGAB O=C1C[C@@H](c2ccco2)Cc2nc3nc4ccccc4n3cc21 2349697 CBUDGVQIAAJEEX-NSHDSACASA-N 303.321 3.388 0 40 DGAB CC(C)(C)C(=O)Nc1ncc2c(n1)C[C@@H](c1ccccc1)CC2=O 2404985 KZNJWFQKVVBASJ-CYBMUJFWSA-N 323.396 3.374 0 40 DGAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@H]3C[C@H]3C)cc12 45762256 PSWWGQJGCGQJPZ-SKDRFNHKSA-N 301.342 3.214 0 40 DGAB COc1cc(C(=O)NCc2ccc(C)s2)cc(OC)c1OC 48342678 GZGJEKYAXQRRKR-UHFFFAOYSA-N 321.398 3.012 0 40 DGAB Cc1nc(S[C@H]2CCOC2=O)c2c3c(sc2n1)CCCC3 3495449 LDPAGRGINCXFOL-NSHDSACASA-N 320.439 3.286 0 40 DGAB C[C@H]1CCCCN1CCCNC(=O)N[C@H](C)Cc1ccsc1 62642000 SLLVOZWSWFKSRV-CABCVRRESA-N 323.506 3.243 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2nc(C)cs2)c1OC 3562065 CKBDBPNQKXBOGU-BQYQJAHWSA-N 304.371 3.121 0 40 DGAB CCCc1noc(-c2cccc(CNCc3c[nH]nc3C)c2)n1 71855405 YHXAMZRLEVQQLZ-UHFFFAOYSA-N 311.389 3.010 0 40 DGAB CCc1c(C(=O)N(C)c2ccccc2)cnn1-c1ccccn1 8715247 MJAFTNBJZCVBBW-UHFFFAOYSA-N 306.369 3.106 0 40 DGAB CS[C@H](C)C(=O)Nc1cc(N2CCCC2=O)ccc1Cl 48942675 SFFOGWATEBMKCD-SECBINFHSA-N 312.822 3.157 0 40 DGAB Cc1n[nH]c(C(=O)N(C)C2CCC(C)CC2)c1Br 48911287 VWTNLYFIMBGPDH-UHFFFAOYSA-N 314.227 3.131 0 40 DGAB COc1ccc(OC)c(CC(=O)NCc2ccc(Cl)cc2)c1 20447764 PIAMDOBOAOMBHP-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB CC[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 14168713 AJGNGFKXYQXYDI-HZPDHXFCSA-N 311.381 3.136 0 40 DGAB CCn1cc([C@H]2OCC[C@H]2CNC/C=C/c2ccccc2)cn1 83843452 MWFJJWZDIPFAMI-ZOZJGFRFSA-N 311.429 3.284 0 40 DGAB Cc1ncc([C@@H](C)NCc2cccc3c2OCCCO3)c(C)n1 90546612 KVXMDMCICKQTFE-GFCCVEGCSA-N 313.401 3.106 0 40 DGAB S=c1[nH]nc(C2CC2)n1CCNc1nc2ccccc2o1 80761165 NEDAFQNMMDDBQO-UHFFFAOYSA-N 301.375 3.071 0 40 DGAB Cc1ccc(F)c(NS(=O)(=O)c2cc(F)ccc2F)c1 8106279 CNRXPEIWBRNKMW-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCc2coc(-c3cccs3)n2)c1 8259004 VAEYHFBNPDHKBE-UHFFFAOYSA-N 316.338 3.291 0 40 DGAB COc1ccc(CC2CCN(C(=O)c3cccnc3)CC2)cc1 69348961 TVHWUBFXSDCOEE-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB C[C@H](O)C(=O)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 8394182 DARUXQLZDXLLKG-LURJTMIESA-N 317.197 3.436 0 40 DGAB NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1 20154655 HYUXZARMVWZETC-UHFFFAOYSA-N 301.396 3.324 0 40 DGAB Cc1oc(C)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 9364885 WUNAKMZCMVDTIG-NSHDSACASA-N 314.341 3.177 0 40 DGAB O=S(=O)(NCCC1=CCCCC1)c1cc(F)ccc1F 8500313 IXHOZCBTSCKWPE-UHFFFAOYSA-N 301.358 3.134 0 40 DGAB Cc1ccnc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1 9468424 APMTVUDJJMCIJR-UHFFFAOYSA-N 310.382 3.491 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)cn1 71796834 WPTXRDQEADXLLQ-MRXNPFEDSA-N 312.348 3.018 0 40 DGAB O=S(=O)(Nc1ncccc1F)c1ccc(C(F)(F)F)cc1 96496298 AGGVKNATCHEWCZ-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCC1=Cc2ccccc2OC1 72298477 VCTMKFUDNBOUGR-KRWDZBQOSA-N 309.413 3.346 0 40 DGAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1CCc1cccs1 72268639 XAXNDIMJIMNTIS-CVEARBPZSA-N 306.475 3.156 0 40 DGAB CCOCCOc1ccc(C(=O)n2cnc3ccccc32)cc1 9818485 FILADDBNVYFTBD-UHFFFAOYSA-N 310.353 3.140 0 40 DGAB Cc1cc(-n2c(C)cc(C(=O)OC[C@H]3CCCCO3)c2C)no1 96995958 HWXQOENSNMIJMP-CQSZACIVSA-N 318.373 3.116 0 40 DGAB Cc1nnc([C@@H](C)Sc2nnnn2C2CCCCC2)s1 97372542 UJOKKFDYFYUOKL-MRVPVSSYSA-N 310.452 3.192 0 40 DGAB COC(=O)Nc1ccc(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 84686265 SLYKMPWJJKSEAP-TXEJJXNPSA-N 305.378 3.375 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)c1ccc2c(c1)OCCCO2 84640962 VTQPOMGMRVOSTD-GFCCVEGCSA-N 317.410 3.270 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CCC1)N1CC[C@]2(CCOC2)C1 95410557 WRLRPLBQCWQTLF-HKUYNNGSSA-N 314.429 3.350 0 40 DGAB Cc1cc([C@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3)C2)n[nH]1 89599024 YICHVJOOWCYNCY-YOEHRIQHSA-N 319.836 3.285 0 40 DGAB O=C(O)c1cc(Nc2nc3ccccc3nc2Cl)ccc1O 408754889 AIGPTFMABAGCHE-UHFFFAOYSA-N 315.716 3.431 0 40 DGAB CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(C)cc1 409416179 OENPZZVLCUNEEH-LUAWRHEFSA-N 311.381 3.471 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NC1(C(=O)O)CCCCCC1 37367038 KKXPUCXDCYWPIA-UHFFFAOYSA-N 309.793 3.176 0 40 DGAB CCOc1ccc(NC(=O)N2CCC3(CC2)OCCS3)cc1 70637405 SRAVGDMSBQNJAT-UHFFFAOYSA-N 322.430 3.173 0 40 DGAB CCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)nc1 225885666 CGFKWZHYHNRSSV-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB Cc1cc(S(=O)(=O)N[C@H](C)CCc2ccccc2)ccc1F 225606365 QPZJYVJOYAPBLB-CQSZACIVSA-N 321.417 3.434 0 40 DGAB Cn1c(Cl)nc2cc(C(=O)NCCc3ccccc3)ccc21 222542695 GCJMWNYMODVMMY-UHFFFAOYSA-N 313.788 3.199 0 40 DGAB O=c1ccc2ccc(OC[C@H](O)c3ccccc3F)cc2o1 95439018 KLNGLCWTZVACPI-HNNXBMFYSA-N 300.285 3.045 0 40 DGAB CN(Cc1ccc(Oc2cnccn2)cc1)Cc1cccn1C 93584822 ZOHYNQSLGLDNLN-UHFFFAOYSA-N 308.385 3.239 0 40 DGAB Cc1ccc(O)c(NC(=O)c2ccccc2-c2cncnc2)c1 96436199 MPYLWRPIYZGJKT-UHFFFAOYSA-N 305.337 3.410 0 40 DGAB O=C(O)Cc1sc(N2CCCCC2)nc1-c1ccccc1 95097087 AUDMNNDVMMDYEF-UHFFFAOYSA-N 302.399 3.428 0 40 DGAB CC(C)C[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 96476808 INFSKTHEUGYCAY-DZGCQCFKSA-N 315.383 3.395 0 40 DGAB Cn1c(CN[C@H]2CCO[C@@H]2c2ccccc2)nc2ccccc21 96447538 CJTQCXZRSJKVRQ-QFBILLFUSA-N 307.397 3.193 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)NCc2cccs2)cc1 96103299 XJZCMYSSNDFRSB-AWEZNQCLSA-N 322.455 3.003 0 40 DGAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@H](Oc1ccccc1)CO2 96221885 GKGZPIPKXHLRPX-INIZCTEOSA-N 317.429 3.262 0 40 DGAB Cc1ccc(CN2CCO[C@H]3CN(CC4CCCCC4)C[C@H]32)o1 96248809 DEYNHGGMZCKUOP-MOPGFXCFSA-N 318.461 3.053 0 40 DGAB COc1ccc(-c2ccnc(NC3C[C@@H]4CC[C@H](C3)N4C)n2)cc1 584701514 JRTNIAKLJCMJMU-MQVJKMGUSA-N 324.428 3.189 0 40 DGAB CC1(c2ncc(Cl)s2)CCN(Cc2cncnc2)CC1 257269167 MOVXTKXYHBOILM-UHFFFAOYSA-N 308.838 3.140 0 40 DGAB Cc1ccccc1NC(=O)NC[C@H](O)c1ccc2c(ccn2C)c1 252504240 VIRIWYLZCURYJO-SFHVURJKSA-N 323.396 3.342 0 40 DGAB Cc1ccc2oc(C(=O)NC3(C(=O)O)CCCCC3)cc2c1 58365176 FOOKDDWUDBXTBP-UHFFFAOYSA-N 301.342 3.259 0 40 DGAB Cc1ccccc1-c1noc(CN(C[C@@H](C)O)c2ccccc2)n1 58407521 LZWLZQYRIJGYMN-OAHLLOKOSA-N 323.396 3.432 0 40 DGAB Fc1cccc2nc(N3CC(c4ncc(C5CC5)cn4)C3)oc12 894901869 IGFRMLCBPMAYQH-UHFFFAOYSA-N 310.332 3.238 0 40 DGAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)c1ccc(F)cc1F 511889286 BFFHRHPBXBJYOF-OAHLLOKOSA-N 323.364 3.239 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NCCc3nccn3C)s2)o1 97081225 IGMFZNBWOKVJGL-UHFFFAOYSA-N 315.398 3.023 0 40 DGAB COc1ccc(C2=NO[C@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 5029177 OZLYVCLYJVPMOE-UGSOOPFHSA-N 324.380 3.066 0 40 DGAB COC(=O)c1ccccc1[C@H]1CN=N[C@@]12Cc1ccccc1C2=O 5538018 IKXTZOYHFSRVEB-APWZRJJASA-N 320.348 3.200 0 40 DGAB Cc1cc(C(=O)O)c2c(C)nn(Cc3ccccc3Cl)c2n1 12394299 XGFMAEQDTFHSSJ-UHFFFAOYSA-N 315.760 3.448 0 40 DGAB Cn1ncc2c(Nc3ccc(OC(F)(F)F)cc3)ncnc21 12634915 SQXVYSHQJVZCKW-UHFFFAOYSA-N 309.251 3.006 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Oc2ccc(C(=O)O)cc2)c(C)c1 13341815 LLUCANOTATUNGJ-UHFFFAOYSA-N 320.366 3.078 0 40 DGAB CCn1cc(-c2cncn2CCOc2cccc(C)c2C)cn1 19719628 BWZBTIAXSMSRLD-UHFFFAOYSA-N 310.401 3.462 0 40 DGAB CC(C)c1cc(=O)[nH]c(N2CCC(Cc3ccccc3)CC2)n1 19941884 QWCWKAIWPLOPKR-UHFFFAOYSA-N 311.429 3.352 0 40 DGAB O=C(/C=C/c1cccc(Cl)c1)NCc1ccc2c(c1)OCO2 3598073 SEIRNUDIQKZQEC-FNORWQNLSA-N 315.756 3.398 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1cc2c(nn1)CCCC2 1888875963 VQEPOWAKZDQNII-UHFFFAOYSA-N 317.776 3.270 0 40 DGAB O=c1c(NCc2ccccc2)nccn1-c1ccc(Cl)cc1 21536928 TWBXPIKVBPRLPJ-UHFFFAOYSA-N 311.772 3.498 0 40 DGAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cccs1 244986111 JGPPVWPJCDKBLW-LLVKDONJSA-N 321.423 3.404 0 40 DGAB Cc1cccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)c1 1427914 BRGCRAQIIFDRTR-HNNXBMFYSA-N 319.360 3.288 0 40 DGAB COc1ccccc1NC(=O)C(=O)c1c(C)n(C)c2ccccc12 4062616 MYYVJOXJZIYUDT-UHFFFAOYSA-N 322.364 3.317 0 40 DGAB O=C(NC[C@H]1COC2(CCCC2)O1)c1cccc2ccccc12 10220518 WGMTYMDZSFKCIN-HNNXBMFYSA-N 311.381 3.255 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 22506975 FRVWCBUMWBJHDF-UHFFFAOYSA-N 311.341 3.224 0 40 DGAB COc1ccccc1[C@H](CNc1ncnc2ccsc12)OC 1775972145 BXJVOBGHKOELTO-AWEZNQCLSA-N 315.398 3.500 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)[C@@H]1CC=CCC1 1775966284 WKQVUKDOZVYYKZ-CHWSQXEVSA-N 301.342 3.046 0 40 DGAB Fc1cnc(OC2CCN(c3ccc4ccccc4n3)CC2)nc1 1775975228 CXHHQTPDOXQQEQ-UHFFFAOYSA-N 324.359 3.212 0 40 DGAB CC(C)NC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 38550443 AHJKNVODHVBRFO-UHFFFAOYSA-N 319.386 3.111 0 40 DGAB O=C(/C=C/c1cccs1)N1CCC[C@@H](Oc2ccncc2)C1 575611972 HQMDNJJVXNROKM-LLYBFZRZSA-N 314.410 3.226 0 40 DGAB O=C(N[C@H]1CCC12CCOCC2)c1ccccc1Br 585409436 SCLINUZLWACTMQ-ZDUSSCGKSA-N 324.218 3.138 0 40 DGAB COCCN(Cc1cc2cc(C)c(C)cc2nc1Cl)C(C)=O 4880960 IQGPFHQHDSZKHU-UHFFFAOYSA-N 320.820 3.500 0 40 DGAB Cc1ccccc1-n1c(-c2ccccc2)cnc1SCC(N)=O 44086667 MSMYLOYIJMZHNO-UHFFFAOYSA-N 323.421 3.425 0 40 DGAB COc1ccc2cc(C(=O)Nc3nc4ccccc4[nH]3)[nH]c2c1 40091463 ZEINUZJZYTUUPG-UHFFFAOYSA-N 306.325 3.305 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)cc1 101357386 JLMLLJGVUDQKAI-QBPKDAKJSA-N 323.392 3.177 0 40 DGAB Oc1c(C(O)(C(F)(F)F)C(F)(F)F)ccc2cccnc12 32888 NVPULETWJQONKB-UHFFFAOYSA-N 311.181 3.253 0 40 DGAB Cc1nnc(COc2ccc(NC(=O)OC(C)(C)C)cc2)o1 60279972 JNDKMMBSTZFXLP-UHFFFAOYSA-N 305.334 3.304 0 40 DGAB in-vitro O[C@@H](CN1CCN(C/C=C/c2ccccc2)CC1)c1ccccc1 46346413 FCUXFWLHZIBUKI-CLNPQZTCSA-N 322.452 3.051 0 40 DGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 575980 CSQVMZHWIQNHBW-IAGOWNOFSA-N 315.413 3.284 0 40 DGAB CCOc1ccc(NC(=O)NC(=O)c2ccc(F)cc2)cc1 938252 PRDLQDQRAIIZPI-UHFFFAOYSA-N 302.305 3.186 0 40 DGAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCOCCOC 69569900 DXMSZSVQBGTWTD-MSOLQXFVSA-N 319.445 3.224 0 40 DGAB CCOC(=O)c1cnn(-c2nc3c(C)cccc3s2)c1C 2182944 IFPQQVXHOCFDCK-UHFFFAOYSA-N 301.371 3.276 0 40 DGAB Clc1cc(CSc2nc(C3CC3)n[nH]2)cc2c1OCO2 32889887 JNPLQGJADLCBIK-UHFFFAOYSA-N 309.778 3.357 0 40 DGAB Cc1cc2nc(NC(=S)NC[C@@H]3CCCO3)sc2cc1C 2771061 WMQOREXEGSDYOZ-NSHDSACASA-N 321.471 3.379 0 40 DGAB Cc1cccc(C(=O)NCCCOC(=O)c2cccc(C)c2)c1 2754512 WIOMGCITTPXPSX-UHFFFAOYSA-N 311.381 3.280 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1C 4901759 SBWZOLOVGATJTL-UHFFFAOYSA-N 324.424 3.321 0 40 DGAB O=C(NC[C@H]1CCCO1)[C@H]1CC1(c1ccccc1)c1ccccc1 553037 QOZSPGKNMOQHOC-RTBURBONSA-N 321.420 3.288 0 40 DGAB COc1cccc([C@@H]2N(c3ccccc3)C(=O)N3CCCN23)c1 551725 ZIXCPZCIOVHVRC-KRWDZBQOSA-N 309.369 3.257 0 40 DGAB Cc1cc(NC(=O)CN2CCc3c([nH]c4ccccc34)[C@@H]2C)on1 53264169 RLGZLWMEGKDSCA-LBPRGKRZSA-N 324.384 3.022 0 40 DGAB CC(C)(C)CCNC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47106619 XLOXNBPNMIAXJQ-UHFFFAOYSA-N 305.403 3.164 0 40 DGAB CCn1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)ccc1=O 47230343 XDSXPSYRGKCHAO-KUELQNGQSA-N 312.369 3.237 0 40 DGAB O=C(c1cc(-c2cccc(Cl)c2)on1)N1CCSCC1 53818804 QCXQOXIGSVXPEP-UHFFFAOYSA-N 308.790 3.184 0 40 DGAB COC(=O)CCCCCNC(=O)Cc1ccc2ccccc2c1 24465778 JBWXBLXVEWZJAM-UHFFFAOYSA-N 313.397 3.232 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)o1 106078451 JQXUPVMJNXZIND-CKEIUWERSA-N 317.429 3.363 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](C)[C@@H](C)n2cncn2)cc1Cl 69668347 SHVQOQUTGGEYOA-WDEREUQCSA-N 307.785 3.011 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1)c1cccc(F)c1 12519888 RILZRFWBUHLDJB-GOSISDBHSA-N 323.371 3.008 0 40 DGAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc2ccccc2o1 25180000 ILWFKJOFKNIDSB-UHFFFAOYSA-N 321.332 3.422 0 40 DGAB Cc1cccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 25108056 SVURZXQRPNFNES-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1 1470741 JQCNVNTWSJOMGP-AWEZNQCLSA-N 321.735 3.425 0 40 DGAB Cc1nc2ccccc2nc1CN1CCC[C@H]1c1cnn(C)c1 71799342 LMJCCPGFTXAMCF-SFHVURJKSA-N 307.401 3.009 0 40 DGAB Cn1nccc1CNC(=O)N1C[C@@H]2CCCC[C@]21c1ccccc1 96491751 AJQVIUJSUJAAHX-LPHOPBHVSA-N 324.428 3.031 0 40 DGAB C[C@H]1CN(C(=O)NCc2ccsc2)C[C@H](c2ccsc2)O1 96469833 DKXVLFVEUZSRMT-SMDDNHRTSA-N 322.455 3.481 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)s1 3384558 XHBLDVPGNLHMNF-SNVBAGLBSA-N 307.346 3.380 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccc(C)cc1 58196775 ZCXHBQXUHMGREG-QGZVFWFLSA-N 322.364 3.421 0 40 DGAB CCc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1 64799580 SMOKADSVSKZOBF-UHFFFAOYSA-N 322.368 3.265 0 40 DGAB O=C(c1cnccn1)N(Cc1ccc(O)cc1)C1CCCCC1 97046273 KJFDIRIRCFIITB-UHFFFAOYSA-N 311.385 3.157 0 40 DGAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCOC(C)C 22532661 CGHSLLVEDUSFMS-MRXNPFEDSA-N 307.434 3.392 0 40 DGAB COc1cccnc1NC(=O)c1ccccc1Br 58332352 SPXZAGVCVDFVAE-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccnc(Cl)c1 58424365 FAXWIBQLRJJTEB-FZMZJTMJSA-N 315.804 3.103 0 40 DGAB O=C(NCc1ccc(F)cc1)[C@@H]1COc2ccc(Cl)cc2C1 12728331 GSVDUAWTVQWQEC-ZDUSSCGKSA-N 319.763 3.347 0 40 DGAB CC(C)(C)SCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 28730488 FBGXEPMRUDHAKE-UHFFFAOYSA-N 303.330 3.478 0 40 DGAB CC[C@H](O)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 11692483 OWZOVAXWFVGKBV-KRWDZBQOSA-N 323.396 3.143 0 40 DGAB CCCOc1ccc(Cl)cc1S(=O)(=O)N(CC)CC 12998468 MWJQLDAXORBRDD-UHFFFAOYSA-N 305.827 3.159 0 40 DGAB Cc1cc(C)cc(NC(=O)CCN2C(=O)COc3ccccc32)c1 12983009 PBXZMBPOZKIVEA-UHFFFAOYSA-N 324.380 3.058 0 40 DGAB COc1cccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)c1 12997471 STDZBTIDPZSAFA-IBGZPJMESA-N 324.424 3.147 0 40 DGAB CS[C@@H](C)C(=O)N1CCc2[nH]c3ccc(Cl)cc3c2C1 48796300 SSJAZCAUOUAPBN-VIFPVBQESA-N 308.834 3.458 0 40 DGAB CC1(C)Cc2cccc(CNc3ccc4c(c3)OCC(=O)N4)c2O1 97049496 ANMNKSUFGUPNFB-UHFFFAOYSA-N 324.380 3.343 0 40 DGAB COc1cccc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)c1 4108101 WQDSULVMDRLQKB-LBPRGKRZSA-N 310.353 3.073 0 40 DGAB CCc1c(C(=O)Nc2ccc(F)cc2)cnn1-c1ccccn1 8715223 PMFXJFWYLQQZNG-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(C2CCCCC2)C1 8816479 BYZUMBMDPJSJLS-LBPRGKRZSA-N 320.820 3.460 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1(C)C 65475515 HSBDKNVVZRHBIM-GDBMZVCRSA-N 324.428 3.326 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1c1cccs1 65449228 VLQXYSOZGSCHCH-CQSZACIVSA-N 318.446 3.259 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](Cc2ccccc2)N(C)C)c1 14093125 CHEZGESQIISSEH-GOSISDBHSA-N 311.429 3.289 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc3[nH]ccc3c2)s1 72281742 HIPIZFHMHJFANM-UHFFFAOYSA-N 300.339 3.268 0 40 DGAB CCn1cnnc1C1CCN(C(=O)c2ccc(Cl)s2)CC1 65625470 XWFITFFSTGGAMV-UHFFFAOYSA-N 324.837 3.033 0 40 DGAB C[C@@H](Oc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 9468829 GFHOEMWJPTYPEC-GFCCVEGCSA-N 307.357 3.337 0 40 DGAB Cc1nc(Cc2nn3c(-c4ccsc4)nnc3s2)cs1 71283846 PCQKWOAMSSOVNA-UHFFFAOYSA-N 319.440 3.270 0 40 DGAB ClC1(Cl)C[C@H]1CSc1nnc2[nH]c3ccccc3n12 6983124 WEQJBSIRNJUGMC-ZETCQYMHSA-N 313.213 3.497 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)NCCC1=CCCCC1 5967280 XLXXWTUECWCXNA-UHFFFAOYSA-N 307.415 3.220 0 40 DGAB COc1ccc(N)cc1NC(=O)COc1ccc(C(C)C)cc1 19736148 BNHMRZHGYSQHPR-UHFFFAOYSA-N 314.385 3.418 0 40 DGAB C[C@@H](N)[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 70172434 XNKISXBVEYUJOE-ZJUUUORDSA-N 301.217 3.193 0 40 DGAB CC(=O)N1C[C@H](C(=O)Nc2cccc(C)c2C)Oc2ccccc21 9503804 HFJRTMQPWJGKGF-GOSISDBHSA-N 324.380 3.056 0 40 DGAB CC[C@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9500670 KSPWDGCDMFSZCQ-HNNXBMFYSA-N 314.410 3.185 0 40 DGAB C[C@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H](c2ccccc2)O1 71827994 OHKKTYGFIBPYNZ-WCQYABFASA-N 323.318 3.462 0 40 DGAB C[C@H]1Oc2c(cccc2C(=O)N2C[C@H](C)c3ccccc32)NC1=O 71847348 MRGDOAJIFOKPQB-NWDGAFQWSA-N 322.364 3.170 0 40 DGAB Cc1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1C(N)=O 76622097 HFQWFXGRMKDNIT-UHFFFAOYSA-N 321.380 3.444 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2nccnc2c1 95348952 GBOFQAYBOIPXIG-VXGBXAGGSA-N 323.318 3.481 0 40 DGAB Cc1csc(=O)n1CCc1nc(C2CCCCCC2)no1 95431474 MVFWKVZHMYJZNE-UHFFFAOYSA-N 307.419 3.282 0 40 DGAB C[C@H](NCCc1ccc(-n2cccn2)cc1)c1cncc(F)c1 95419897 MJDNRKLIRWRDHQ-AWEZNQCLSA-N 310.376 3.300 0 40 DGAB Cc1noc(C)c1CCCNCc1cccc2c1OCCCO2 84958937 KCAJZPYDNVWVJF-UHFFFAOYSA-N 316.401 3.175 0 40 DGAB CC1CCC(NC(=O)[C@H](C)Sc2ccc(Cl)nn2)CC1 73662495 UHHYLHNSCXJISB-YVNMAJEFSA-N 313.854 3.306 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cc(-c2ccco2)n[nH]1 85876604 YJNOSYDMEXTQFR-UHFFFAOYSA-N 320.352 3.124 0 40 DGAB biogenic CCc1n[nH]c(NC(=O)[C@@H]2C[C@H]2c2ccco2)c1Br 75093050 FMYQLRWTRUIKIR-HTQZYQBOSA-N 324.178 3.070 0 40 DGAB Cc1n[nH]c(SCc2ccc(NC(=O)CC(C)C)cc2)n1 20293582 AOLKIFCULGCIDB-UHFFFAOYSA-N 304.419 3.390 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)NCCSc1ccccn1 20238452 KFAMCRHYWQSTTO-ZDUSSCGKSA-N 318.467 3.471 0 40 DGAB COc1cccc(CCCNC(=O)Cc2ccccc2F)c1 66436265 UGZKWSMKWKWCAY-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB S=C(NCc1ccccc1)Nc1ccc2snnc2c1 408998919 JJTWNIMDKAODBG-UHFFFAOYSA-N 300.412 3.178 0 40 DGAB Cc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)c(C)c1 33862459 LPADWGHNKMEXNO-MHWRWJLKSA-N 306.390 3.074 0 40 DGAB CSC[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 193399837 ZUCJBIWGODFHOM-CYBMUJFWSA-N 322.474 3.413 0 40 DGAB CC1CCN([C@H](CNC(=O)Cc2cccc(F)c2)C(C)C)CC1 40089289 DUQRMMRZZVHVQS-GOSISDBHSA-N 320.452 3.241 0 40 DGAB CN1C(=O)[C@@](C)(C(=O)Nc2ccccc2)Sc2ccccc21 40774340 QHNHEWZIIFGJSE-QGZVFWFLSA-N 312.394 3.153 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 193030759 ZDZJITULMFZVCF-CYBMUJFWSA-N 318.417 3.263 0 40 DGAB CCOc1ccc(N(CC)S(=O)(=O)c2ccc(F)cc2)cc1 224908758 BHEBMVFDNNSFKA-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB O=C(Nc1cnc2ccnn2c1)c1cc(Cl)ccc1Cl 225573235 URSBYACCVFWEAL-UHFFFAOYSA-N 307.140 3.288 0 40 DGAB COC[C@@H](NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 96411036 OIVXNPGNVYHWEY-GFCCVEGCSA-N 313.275 3.416 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C 230074717 PAPAFNJUWDWHQR-CJBNDPTMSA-N 314.385 3.282 0 40 DGAB Cc1csc(CN[C@H](CO)c2ccc(C(F)(F)F)cc2)n1 535368695 BCIARNTZSORFNL-GFCCVEGCSA-N 316.348 3.294 0 40 DGAB COc1ccccc1-c1nnc(CN[C@H](C)c2ccc(C)o2)o1 97374038 YRKUTXVANTWIDH-GFCCVEGCSA-N 313.357 3.497 0 40 DGAB Cc1nn(C)c2[nH]nc(NC(=O)[C@H](C)c3cc4ccccc4o3)c12 96451299 SORVVQCQJGAAPF-SECBINFHSA-N 323.356 3.093 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)cn1 96432912 MSVXRQIWUQSJCT-ZWKOTPCHSA-N 310.397 3.118 0 40 DGAB CO[C@@H]1CCN(C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 96110217 FDCXTPQRBSGJGM-PKOBYXMFSA-N 303.446 3.053 0 40 DGAB Cc1ccc(N(Cc2cc(C)n(C)n2)Cc2cc(C)n(C)n2)cc1 96171548 RFDKEWUSWNCMPV-UHFFFAOYSA-N 323.444 3.286 0 40 DGAB O=C(CCCn1ccnc1)Nc1cccc(Oc2ccccn2)c1 96433220 KYZGDNDSHHLEJV-UHFFFAOYSA-N 322.368 3.489 0 40 DGAB CCO[C@@H]1COC2(CCN(C(=O)c3cc(C)c(C)s3)CC2)C1 96106583 LTJSMBADSJJWSF-AWEZNQCLSA-N 323.458 3.165 0 40 DGAB Cc1c(C(=O)O[C@H](c2ccccc2)c2nccs2)cnn1C 91775499 TVNDTUQDKXEDBQ-CQSZACIVSA-N 313.382 3.131 0 40 DGAB CC[C@@H](C)n1nc(NC(=O)c2cnc(C)nc2C(C)C)cc1C 330684489 KDCQUQWHZISAAE-LLVKDONJSA-N 315.421 3.637 0 40 DGAB c1cc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)cs1 96186688 CGGBXZIQKJDGQZ-IKGGRYGDSA-N 307.459 3.297 0 40 DGAB CCOc1ccccc1[C@H](C)OC(=O)[C@H]1C[C@H]1c1cnn(C)c1 248321186 UGMFOGONHADQEZ-RCBQFDQVSA-N 314.385 3.227 0 40 DGAB C[C@H](CC(=O)N1CCC([C@H](C)CO)CC1)Cc1cccc(F)c1 585090592 SGAVUNSTGOJMBE-LSDHHAIUSA-N 321.436 3.261 0 40 DGAB O=C(Cc1cncc2ccccc12)N1CCC([C@H]2CCOC2)CC1 585121182 HZFPZJOLXPUEOI-KRWDZBQOSA-N 324.424 3.052 0 40 DGAB C[C@H](NC(=O)CCCc1nccs1)[C@@H]1COc2ccccc21 252495018 OKYJTTLZVIZLQN-JSGCOSHPSA-N 316.426 3.147 0 40 DGAB Cc1n[nH]cc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 257210404 BULRPSRXZMOBNO-OAHLLOKOSA-N 306.413 3.331 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1cc(C)nc(-c2c(C)noc2C)n1 257287927 PSBNKYQJBAOBAW-OAHLLOKOSA-N 314.389 3.130 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257221684 DQCKBVKRGZPLCB-OAHLLOKOSA-N 324.432 3.115 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2ccccc2Cl)OC2(CCOCC2)C1 257297468 RHIYUNHZKUZIMX-CZUORRHYSA-N 323.820 3.245 0 40 DGAB C[C@H](O)c1ccc(CCNC(=O)CCc2ccccc2)s1 618255369 BTIFMWXZYOKMPR-ZDUSSCGKSA-N 303.427 3.093 0 40 DGAB CC[C@@H](C)n1ncc2c(C(=O)O)cc(/C=C/c3cocn3)nc21 568518957 VHERXNJOKIROLD-ORAHPGNNSA-N 312.329 3.259 0 40 DGAB O=C(/C=C/c1ccc2c(c1)CCO2)NCc1cc2ccccc2[nH]1 58900643 HNULFTGASMQMCY-SOFGYWHQSA-N 318.376 3.432 0 40 DGAB COCc1ccccc1C(=O)NCCc1cc(F)cc(F)c1 58355660 CEISUFLKBUXMPW-UHFFFAOYSA-N 305.324 3.084 0 40 DGAB Cc1ccc([C@H](C)NC(=O)Nc2nc3c(s2)COCC3)cc1 89629753 RTBFZRCVXPMINC-NSHDSACASA-N 317.414 3.407 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)C1=COCCO1 12527234 ZUEJCJDXWSVJTP-UHFFFAOYSA-N 322.792 3.157 0 40 DGAB CCCc1c(C)nc2ncnn2c1Nc1cc(C)ccc1OC 13364933 KFAONIDVLCMGJZ-UHFFFAOYSA-N 311.389 3.446 0 40 DGAB Cc1cc(Nc2cccc(C(=O)O)c2)nc(N2CCCCC2)n1 19798013 LJRABQYQRVJVMB-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB CCC(=O)N1CCCCCCN(C(C)=O)c2ccccc2C1 643587559 HUUFJTVAQHZXNP-UHFFFAOYSA-N 302.418 3.352 0 40 DGAB C[C@@H](O)CNCc1cccc(OCc2ccccc2Cl)c1 8535097 RTZBRVKLHWKFSR-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB Cc1ccc(C)c(SCC(=O)OCC(=O)c2ccco2)c1 3217697 DAANMWMNMVYTCZ-UHFFFAOYSA-N 304.367 3.415 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccsc3)CC2)cc1F 1888918204 BORHEOGMMQIQLN-UHFFFAOYSA-N 305.374 3.357 0 40 DGAB Clc1cnccc1OCC1CCN(Cc2cccnc2)CC1 1849487400 UVABIWKRVXDPSK-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB Brc1cccc(CN2CC(Oc3ccncc3)C2)c1 1883226530 CHMGZWXQOGJYQB-UHFFFAOYSA-N 319.202 3.107 0 40 DGAB Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1cccs1 575612665 KRUJJSUZSHFLCS-UHFFFAOYSA-N 315.398 3.251 0 40 DGAB C[C@@H](CCc1ccco1)NC(=O)NCCc1cccc(F)c1 40067908 AWMFLZMILOEMFZ-ZDUSSCGKSA-N 304.365 3.282 0 40 DGAB CC1=C(C)C[C@@H](C(=O)O)[C@@H](C(=O)Nc2ccc(F)cc2F)C1 69670 FBPUHIZUSSEOAN-NWDGAFQWSA-N 309.312 3.351 0 40 DGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc3ccccc3c2)[C@H]2C=C[C@H]1C2 100503976 WVULZFFLGAIVPQ-OTRWWLKZSA-N 307.349 3.301 0 40 DGAB Cc1csc(N(C)C(=O)[C@H]2Cc3cc(Cl)ccc3O2)n1 40548858 CGPOVBWPMQITGW-GFCCVEGCSA-N 308.790 3.071 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@H]3c3cnn(C)c3)oc12 69870980 WAFKEUNXJGTIMZ-HNNXBMFYSA-N 309.369 3.452 0 40 DGAB COc1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)c1 2871303 HATUQRDWMMYCIN-MSOLQXFVSA-N 301.386 3.419 0 40 DGAB Cc1cccc(-c2nnc(SCc3ccc(F)cc3)n2N)c1 531946 GRUKUGJYNFKEKB-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc2c(c1)OCCO2 580018 LYNBXZYYLXXOMH-OAHLLOKOSA-N 313.353 3.254 0 40 DGAB CCC12CN3CC(C)(CN(C1)C3c1ccc(C(C)C)cc1)C2=O 19323586 GSVMQVHPVQUMJG-UHFFFAOYSA-N 312.457 3.425 0 40 DGAB biogenic CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(Cl)cn1)CC2=O 100629194 RVGVZEXNARTZPO-HOTGVXAUSA-N 306.793 3.459 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@@H]2CCCc3c2cnn3C)C1(C)C 24991489 NZTYAXFNSAUJNB-FMKPAKJESA-N 301.434 3.152 0 40 DGAB C[C@@H]1CCCN(C(=O)c2cc3c(nc4sccn43)s2)C1 25968909 CHBOPCFYFYOXTJ-SECBINFHSA-N 305.428 3.483 0 40 DGAB Cc1ccc(C(=O)NCCCn2cnc3ccccc32)c(C)c1 12558246 ZYKCMFJWMZWAQY-UHFFFAOYSA-N 307.397 3.473 0 40 DGAB CC(C)(C)NC(=O)CC[C@@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(C)(C)C 104147740 RUIKDRLQLOUVDC-AYDFFVQHSA-N 320.477 3.034 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=O)C3CCOCC3)c2C)cc1 26068447 HNTYRRRCFPLKJS-UHFFFAOYSA-N 313.401 3.163 0 40 DGAB Cc1cnc(CCNC(=O)N[C@@H]2CCc3c(F)cccc32)s1 76091580 MHBMAUFBDQTDPJ-CQSZACIVSA-N 319.405 3.120 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 101275536 IXJINEMNLSQYPJ-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB Cc1cc(C=O)cc2c1O[C@]1(C=C2)Oc2ccccc2C(=O)N1C 3209237 WZPKVMPARDSAOA-IBGZPJMESA-N 321.332 3.032 0 40 DGAB C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1cccnc1 48067980 WARAASAIRWGPQP-OFQRWUPVSA-N 305.422 3.037 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(N2CCCC2)c(F)c1 48137929 PYDJFBHFEXVUMJ-UHFFFAOYSA-N 314.364 3.143 0 40 DGAB CCCCC(=O)NC[C@H](c1ccccc1Cl)N1CCOCC1 27662090 RTSUAUHZPJUDOS-MRXNPFEDSA-N 324.852 3.020 0 40 DGAB CCOc1ccc(-c2nc(N)nc3c2C(=O)c2ccccc2-3)cc1 20798084 HHPPNMBDAWXVDO-UHFFFAOYSA-N 317.348 3.336 0 40 DGAB Cc1oc(CO)cc1C(=O)OCc1nc2ccccc2s1 10724898 DLVPSGJBSAORNG-UHFFFAOYSA-N 303.339 3.047 0 40 DGAB CCc1ccc(C(=O)COC(=O)Cn2cnc3ccccc32)cc1 3306156 OSNYPHUZPZVARP-UHFFFAOYSA-N 322.364 3.025 0 40 DGAB COC(=O)C[C@@H](NC(=O)CCc1ccccc1)c1cccs1 45782061 FJQDHZLUFLVPHH-CQSZACIVSA-N 317.410 3.101 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 28232478 BSNPZYGRDKWSLL-JTQLQIEISA-N 306.387 3.175 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 12773678 WSHWHGAFGMRJEG-GOSISDBHSA-N 310.397 3.131 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cc(C3CC3)nn2C(C)(C)C)o1 62277863 VTKCBCPNZLEONW-VIFPVBQESA-N 318.377 3.125 0 40 DGAB COc1cccc(OC)c1C(=O)NCCc1c[nH]c2ccccc12 12894114 ZPIKOXAOMHTASS-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic O=C(O)CSc1nnc(-c2ccccc2)c(-c2ccccc2)n1 3882193 ROQIGRLJUBETSG-UHFFFAOYSA-N 323.377 3.382 0 40 DGAB O=C(CCn1ccc2ccc(F)cc21)N=c1[nH]c2ccccc2[nH]1 13691264 PEGQGCAWLDIGSO-UHFFFAOYSA-N 322.343 3.107 0 40 DGAB O=C(OCc1c(F)cccc1Cl)c1cn2ccccc2n1 4485271 ZJKWVSHWSKMPOD-UHFFFAOYSA-N 304.708 3.484 0 40 DGAB Cc1noc(C)c1C(=O)NCCCSc1ccc(F)cc1 14094490 WAJNCGYHPNITFD-UHFFFAOYSA-N 308.378 3.343 0 40 DGAB O=C(Cc1ccccc1)Nc1cnn(Cc2ccc(F)cc2)c1 27920513 GHWXTBOJVCRUPQ-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB CNc1nnc(SCC(=O)c2c(C)[nH]c3ccccc23)s1 14181253 NOXFENQSKMOHRX-UHFFFAOYSA-N 318.427 3.345 0 40 DGAB COCCCCNC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 65610080 ZOYNLWSSQOIXGA-UHFFFAOYSA-N 324.469 3.484 0 40 DGAB CCCCN(C)C(=O)C1CCN(Cc2cccc(OC)c2)CC1 4552747 OAJPMCLXLWDNEP-UHFFFAOYSA-N 318.461 3.166 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5450812 CRIBHMPKLWFZLL-SJKOYZFVSA-N 316.401 3.106 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5450810 CRIBHMPKLWFZLL-PXAZEXFGSA-N 316.401 3.106 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2cccnc2)cn1 66511173 NLFXUIVNBXRQKT-UHFFFAOYSA-N 314.345 3.076 0 40 DGAB CC[C@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 5719156 GZDTWGDXXHVZAX-JTQLQIEISA-N 308.447 3.347 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2cccs2)cc1 5786865 ZQXDYJLPCFMSAF-UHFFFAOYSA-N 303.383 3.035 0 40 DGAB CSc1nsc(SCC(=O)Nc2ccc(C)cc2)n1 4998467 CQNHRAWJGDKZLF-UHFFFAOYSA-N 311.457 3.299 0 40 DGAB COc1ccc(Cc2nnc(S)n2-c2ccccc2C)cc1 5926965 ICYUZYJENOFEFR-UHFFFAOYSA-N 311.410 3.464 0 40 DGAB CCn1cc(C(=O)NC2CCCCCC2)c(=O)c2ccccc21 22234352 MUDFOLJCCSCFOX-UHFFFAOYSA-N 312.413 3.474 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1ccc2c(c1)OCCCO2 19169791 DPDYRKSFHFJYIV-UHFFFAOYSA-N 317.772 3.431 0 40 DGAB O=C(NCc1nc(-c2ccccc2)no1)c1cc2ccccc2o1 9135089 JVFKCARVGVVRFW-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB CCCn1cc(N[C@H](C)C(=O)Nc2ccc(C)cc2F)cn1 97140098 VLNGMGGDLQPVNO-GFCCVEGCSA-N 304.369 3.180 0 40 DGAB CCSc1cc(Cl)ccc1C(=O)NCc1ccnn1C 97141852 INPRJNXZNZXKLY-UHFFFAOYSA-N 309.822 3.116 0 40 DGAB Cc1csc([C@@H](C)NCc2nnc(-c3cccs3)o2)n1 97112109 JIQNLZBCHBZMSZ-SECBINFHSA-N 306.416 3.414 0 40 DGAB CC(=O)NC(C)(C)c1noc(-c2ccc(OC(C)(C)C)cc2)n1 96456592 OPXPAFDMBDXDTD-UHFFFAOYSA-N 317.389 3.285 0 40 DGAB Cc1nc(-c2ccc(CNC(=O)c3c(C)noc3C)o2)cs1 9502902 VCPQYIKWRPKYGN-UHFFFAOYSA-N 317.370 3.246 0 40 DGAB O=C(c1ccc(O)cc1)N1CCN(c2cccc(Cl)c2)CC1 9516538 MTRZWOIUWJIBOA-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB CCc1nc2cc(NC(=O)CC3(C(=O)O)CCCC3)ccc2o1 71808756 DFLGVRCPXGVUTD-UHFFFAOYSA-N 316.357 3.364 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1 71803468 IRIWHQUSQVQMRH-GXTWGEPZSA-N 308.447 3.026 0 40 DGAB Cc1cc(C(=O)N2CCO[C@H]3CCC[C@H]32)c2ccc(F)cc2n1 71831290 MROIBMSKPADZJO-SJORKVTESA-N 314.360 3.076 0 40 DGAB C[C@H]1[C@@H](c2ccccc2)OC[C@@H](C)N1C(=O)CCc1cccnc1 71894290 DBMOYHXKQNBDNP-GUXCAODWSA-N 324.424 3.391 0 40 DGAB CSc1cc2c(cc1NC(=O)NCc1ccco1)OCCO2 71853989 IVZBFSIEFNHMRF-UHFFFAOYSA-N 320.370 3.094 0 40 DGAB Cc1cc(C)c(NC(=O)c2ccc(-n3cccn3)nc2)c(C)c1 19910434 OAHMEKRDXFTEAY-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1csc(-c2cccc(NC(=O)N3CCC[C@@H]3CO)c2)n1 71911260 ZCRFXQHVIQIAQG-CQSZACIVSA-N 317.414 3.107 0 40 DGAB Brc1cccc(-c2cnc(Cn3ccnc3)o2)c1 72558643 GLAMMVZCNAERDG-UHFFFAOYSA-N 304.147 3.349 0 40 DGAB Cc1[nH]ccc1C(=O)NC1(c2ccc(F)cc2F)CCOCC1 95446297 GIHIDRMLLSVGHB-UHFFFAOYSA-N 320.339 3.037 0 40 DGAB C[C@H]1C[C@H](NCCc2nnc3n2CCC3)c2ccsc2S1 95419905 NUYZZKLVTGPUQO-JQWIXIFHSA-N 320.487 3.044 0 40 DGAB CC(=O)c1csc(C(=O)N(C)CCc2ncc(C)s2)c1 95438256 GOFLVPABYICQIB-UHFFFAOYSA-N 308.428 3.030 0 40 DGAB O=C(CC[C@H]1CCCO1)N[C@H](Cc1ccccc1)C(F)(F)F 89830088 MSDFLBDYIVNOPP-ZIAGYGMSSA-N 315.335 3.235 0 40 DGAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1F 36635712 VUWBUFCVDKSKHK-ZDUSSCGKSA-N 318.735 3.223 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@@H]1CCSc2ccccc21 78442675 VZAHCDAQVZLKRO-KCQAQPDRSA-N 322.426 3.351 0 40 DGAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccc(F)cc1 214246074 VZPSKAAQFAUIEI-NTEUORMPSA-N 314.341 3.457 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2nc3ccccc3s2)CC1 64457441 JDKLJHDFUDROCJ-UHFFFAOYSA-N 317.458 3.427 0 40 DGAB Cc1ccc(-c2snnc2C(=O)N(C)Cc2ccco2)cc1 72240017 HLHVIIYCEUKVJA-UHFFFAOYSA-N 313.382 3.379 0 40 DGAB CCCOc1ccc(C(=O)N2CCN=Cc3cc(N)ccc32)cc1 73642385 BXDOLBQJKALAOF-UHFFFAOYSA-N 323.396 3.137 0 40 DGAB CCOc1ccc(C(=O)c2ccc(C3OCCO3)s2)cc1 43210425 IIDIDXFGNVNTLT-UHFFFAOYSA-N 304.367 3.423 0 40 DGAB CCCCc1ccc(NC(=O)C(=O)NCc2cccs2)cc1 48701125 CKESJWYGJRTTMY-UHFFFAOYSA-N 316.426 3.346 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@@H](c3nc(C)no3)C2)cc1 41123125 KXUHXTIYMSFMFP-MRXNPFEDSA-N 313.401 3.025 0 40 DGAB CSc1ccccc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 40107573 MJKYGBUBLWJEDC-KBPBESRZSA-N 306.475 3.116 0 40 DGAB Cc1ccc(OCC(=O)NCCSCc2ccccc2)cc1 41007990 UVJOUOGZMVGYDZ-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=S)Nc1cccnc1 225451892 OBEMNRWTCBJDAL-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB Cc1cncc(-c2nc(Cn3cnc4c3C[C@@H](C)[C@H](C)C4)no2)c1 575603181 NGAUOVDNNIFYFS-CHWSQXEVSA-N 323.400 3.056 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)NCC1=CCCCC1 224943657 DDNFGSHLVRZOCO-UHFFFAOYSA-N 301.386 3.007 0 40 DGAB CCOC[C@@H]1CN(Cc2ccco2)Cc2cn(CC3CC3)nc21 96059954 AGXYBSNCXWBDIB-INIZCTEOSA-N 315.417 3.022 0 40 DGAB CC[C@H](COC)NC(=O)Nc1cccc(-c2ncc(C)o2)c1 96415968 AHACVXVWRGZSLE-CYBMUJFWSA-N 303.362 3.197 0 40 DGAB O=C(Cc1cccnc1)N[C@@H](c1cc(F)ccc1F)C1CC1 96432688 DWYGSTDRIBDQQV-QGZVFWFLSA-N 302.324 3.170 0 40 DGAB CC(C)N1CCC[C@H]1c1cccc(N2C(=O)OCC2(C)C)n1 257331983 XVEYIQONISBYBP-AWEZNQCLSA-N 303.406 3.362 0 40 DGAB COCC[C@H](C)NCc1cc(Br)cnc1Cl 585089180 ZYEKCQXJUNJOPU-QMMMGPOBSA-N 307.619 3.012 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257228396 FTQHXESUQIYVCF-QGZVFWFLSA-N 309.413 3.227 0 40 DGAB O=C(Cc1cccs1)N1Cc2nccn2C[C@H]1c1ccccc1 257288504 PUKJFVAJPUFIDW-INIZCTEOSA-N 323.421 3.271 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@H]2c2ccncn2)cc1 257298785 RNHCCUDUMTUGFX-KRWDZBQOSA-N 305.385 3.204 0 40 DGAB CC(C)N1CCC2(CC1)OCC[C@@H]2CCOCc1ccncc1 585103642 CCLXBGAFAALLBK-SFHVURJKSA-N 318.461 3.268 0 40 DGAB c1ccc(OCC[C@@H]2CCOC23CCN(C2CCC2)CC3)nc1 585105257 RPFFDTNBQMONSA-MRXNPFEDSA-N 316.445 3.274 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nc2cc(F)c(F)cc2s1 58779905 BJSXQDUNDCSNAI-UHFFFAOYSA-N 309.297 3.432 0 40 DGAB O=C(Cn1ccc2ccccc21)N1CCC2(CC1)CC2(F)F 650602794 OJYDJOKSUYXHFN-UHFFFAOYSA-N 304.340 3.289 0 40 DGAB C[C@@H]1CN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)C[C@@H](C)O1 19497531 KQZPATQNVMNTKR-XJKCOSOUSA-N 315.417 3.024 0 40 DGAB C[C@]12C[C@@H](O)[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 4081876 WSCUHXPGYUMQEX-UOOLJHSZSA-N 302.414 3.058 0 40 DGAB biogenic,in-vitro COc1ccc(NC(=O)c2ncnc3c2CCCC3)cc1Cl 1888860384 QYMAOJAFUDHIFY-UHFFFAOYSA-N 317.776 3.270 0 40 DGAB CN(C)C(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN1 2037834565 QKWVIHCQWXQLJN-FQEVSTJZSA-N 308.425 3.107 0 40 DGAB O=C(Cc1ccccc1)N1CCN=C1SCc1ccccc1 4119831 BELBIHXGNHXSJO-UHFFFAOYSA-N 310.422 3.361 0 40 DGAB Cc1ccc(SCC(=O)Nc2nnc(-c3ccco3)o2)cc1 4496479 IAHUUQNTVJPQRE-UHFFFAOYSA-N 315.354 3.369 0 40 DGAB O[C@@H](COCC12CC3CC(CC(C3)C1)C2)CN1CCCCCC1 10384097 GYTYWKBSNBDBML-WFRNDULYSA-N 321.505 3.456 0 40 DGAB CSc1nc2ccc(NC(=O)c3c(C)cnn3C)cc2s1 38506299 FZBOEZQNKIFINS-UHFFFAOYSA-N 318.427 3.312 0 40 DGAB CCCCS(=O)(=O)Nc1ccc2oc(C)c(C(C)=O)c2c1 11615779 OHADMXWXUNFAKV-UHFFFAOYSA-N 309.387 3.486 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)c1 113560832 NNWAUPCODMBQQE-OAHLLOKOSA-N 312.394 3.001 0 40 DGAB Cc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c(C)c1 100281914 INSNIXCGMCWKIP-ROUUACIJSA-N 301.386 3.364 0 40 DGAB COc1ccccc1CN1CCN(CCCc2ccccc2)CC1 20274850 HFOJTWGTJWPOIO-UHFFFAOYSA-N 324.468 3.446 0 40 DGAB CC(C)NC(=O)C1CN(C(c2ccccc2)c2ccccc2)C1 20719543 TVLJUEIXXXYHHR-UHFFFAOYSA-N 308.425 3.232 0 40 DGAB C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)[C@@H]1CCCO1 75782955 DOJYUXLIHXRZBI-DYVFJYSZSA-N 319.836 3.242 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1ccccc1F 76056505 QOYHDRJWOWDHNZ-IGCXYCKISA-N 304.409 3.123 0 40 DGAB O=C(NCc1ccccc1Cl)c1nc(-c2cccs2)no1 2733043 ICXVNILBRHJLJF-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2cnn(CC)c2)cc1OC 32830578 UBCMNZCWWRAFHS-UHFFFAOYSA-N 323.780 3.216 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1ncnc2ccccc12 32806305 MEOCEGROAFZXHJ-UHFFFAOYSA-N 307.353 3.037 0 40 DGAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1ccc(F)c(F)c1 4597867 CANUBXZJGLXAEB-XJKSGUPXSA-N 309.356 3.386 0 40 DGAB C[C@H](Cc1ccccc1Cl)NC(=O)c1cc(C2CC2)[nH]n1 32930661 LNRQTXWZQUFNAF-SNVBAGLBSA-N 303.793 3.302 0 40 DGAB COC(=O)c1cn([C@@H](C)C(=O)NC2CCCC2)c2ccccc12 6955834 XQWBKCGCGALZSN-LBPRGKRZSA-N 314.385 3.048 0 40 DGAB O=C(NCCc1ccccc1)[C@H]1Cc2cc(Cl)ccc2O1 7984203 ZWSYWPGFIXTABP-MRXNPFEDSA-N 301.773 3.002 0 40 DGAB COc1ccccc1CC(=O)NCCSCc1ccsc1 21962984 QKZFGSVFIOLENC-UHFFFAOYSA-N 321.467 3.349 0 40 DGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1C[C@H](C)O[C@@H](C)C1 101936054 WNVUHQZXNSWQMB-AVGNSLFASA-N 311.809 3.052 0 40 DGAB O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)C(F)(F)F 8071090 OWBAJGJTQLLLGL-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@H](c1ccccc1Cl)N2 531562 ATXKPAOARXCWDG-VXGBXAGGSA-N 315.764 3.253 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccccc2OC)cc1F 8848985 WVWKRJUBLJLBAJ-CSKARUKUSA-N 301.317 3.495 0 40 DGAB c1ccc(-c2csc(CCN[C@H]3CCCSC3)n2)nc1 97084615 RAGZXDIEWWBCJW-LBPRGKRZSA-N 305.472 3.233 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)/C=C/c1ccsc1 22702666 CEOHVEQXBQSSNL-HWKANZROSA-N 301.367 3.149 0 40 DGAB CC(=O)N[C@H](CC(=O)N1CCc2ccccc21)c1ccc(C)cc1 22869727 QDGJXQLNBGVRIJ-GOSISDBHSA-N 322.408 3.152 0 40 DGAB NCCCC(=O)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 97019126 OJIOYYQXYLPELT-CQSZACIVSA-N 314.351 3.498 0 40 DGAB O=C(Nc1nncs1)c1cc2cc(Br)ccc2[nH]1 23024384 BOTSXJHOJNZEDI-UHFFFAOYSA-N 323.175 3.034 0 40 DGAB COc1ccc(NC(=O)c2cnc3[nH]nc(C)c3c2)cc1Cl 47381957 QYWPFYMBOYTSBU-UHFFFAOYSA-N 316.748 3.181 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)Cc2c(C)noc2C)cc1C 24267250 CLVQVOILWZVSFM-AWEZNQCLSA-N 315.369 3.265 0 40 DGAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 55285385 XPAVKIFVCKKVKB-WFASDCNBSA-N 322.474 3.333 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)no1 72232356 RKBBHURZJWOHJR-JTQLQIEISA-N 322.796 3.194 0 40 DGAB CN(Cc1ccnn1C)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 102598099 CKVAEPCYWXPGHN-NBLCHNQSSA-N 315.461 3.375 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2[C@@H](C)NC(=O)c2ccc(C(N)=O)cc2)c1 58290189 XTCGKIZYARCPSC-XWIAVFTESA-N 322.408 3.016 0 40 DGAB O=C(NC1CCCCC1)C1CCN(Cc2cccc(F)c2)CC1 58391618 OLUHWBCNADXMNT-UHFFFAOYSA-N 318.436 3.487 0 40 DGAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(F)cc1F 58391747 LEJLGZKLSZCFMQ-UHFFFAOYSA-N 322.399 3.349 0 40 DGAB CCn1cc(NC(=O)c2ccc(Br)cc2F)cn1 27919660 KVZBTZZROBFFEF-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB O=C(NCCc1ccccc1F)Nc1ccccc1-n1cccn1 48150090 FQXNCZPKVQIKKU-UHFFFAOYSA-N 324.359 3.376 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1nc2ccccc2s1 10815958 MMXDYFCJOAWOHN-UHFFFAOYSA-N 314.414 3.218 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)cc2)on1 11251193 RLVTVKZWZWKFFG-LLVKDONJSA-N 307.781 3.095 0 40 DGAB CCONC(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 12825230 SATCUOANXLHVLH-UHFFFAOYSA-N 323.352 3.393 0 40 DGAB CN(Cc1cccs1)C(=O)c1ccc2c(c1)NC(=O)CS2 3439909 ZZUYJYIFYUTZNF-UHFFFAOYSA-N 318.423 3.065 0 40 DGAB Cc1nc(Oc2cccc(Br)c2)c2cnn(C)c2n1 48607724 VLZIWMLHPMLLOB-UHFFFAOYSA-N 319.162 3.227 0 40 DGAB CNCC1CCN(C(=O)c2cccc(Cl)c2Cl)CC1 63159382 HZPBAOBIPYDCQM-UHFFFAOYSA-N 301.217 3.065 0 40 DGAB CC/C=C(\C)C(=O)NCc1cccc(C(=O)N[C@H](C)CC)c1 49126684 QEQIOMYZFKSWHK-MAUPQMMJSA-N 302.418 3.187 0 40 DGAB O=C(O)c1ccc(OCc2cccnc2)c(Br)c1 62702986 HMFJUMSVVLMQSP-UHFFFAOYSA-N 308.131 3.121 0 40 DGAB Cc1ccc(C)c(OC[C@@H](O)Cn2cnc3ccccc32)c1C 39484409 XJVBRMBPMKGMOL-INIZCTEOSA-N 310.397 3.401 0 40 DGAB CC(C)c1nnc(SCc2ccc(C(N)=O)cc2)n1C1CC1 14140110 NACUOKDFEMMGGF-UHFFFAOYSA-N 316.430 3.128 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nnc(C(C)C)s2)cc1 4694981 AWQVNGIYVWHXIO-RMKNXTFCSA-N 303.387 3.322 0 40 DGAB Cc1csc(=O)n1CCSc1ncnc2sccc12 8883758 XPSAILVGPMKTCS-UHFFFAOYSA-N 309.441 3.015 0 40 DGAB Cc1ccc(NC(=O)C[S@@](=O)Cc2cccc(C)c2)cc1 66296775 YMHZFUFPWPHFLB-OAQYLSRUSA-N 301.411 3.191 0 40 DGAB CCCn1nccc1NS(=O)(=O)c1ccc(C)cc1Cl 66253226 ADDHZBORWMPBCR-UHFFFAOYSA-N 313.810 3.056 0 40 DGAB COc1ccc(C(=O)COC(=O)Cc2c[nH]c3ccccc23)cc1 4704457 LHEHRCATFNAEQU-UHFFFAOYSA-N 323.348 3.145 0 40 DGAB CCCCc1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 14870008 ZRXLOTGXLZGXAX-UHFFFAOYSA-N 321.384 3.257 0 40 DGAB CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5862972 YVBHIUGFQAIXOB-LLVKDONJSA-N 305.403 3.052 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)CC1(C(=O)O)CCCC1 8984054 LXXMBCMCXCDCND-CYBMUJFWSA-N 319.401 3.216 0 40 DGAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)c1ccccc1 5904857 ONFBUVAVHJITLU-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB CCn1nnc(NCc2ccc(-c3ccccc3Cl)o2)n1 15356940 ARBAXEBNOGFVNJ-UHFFFAOYSA-N 303.753 3.219 0 40 DGAB COc1ccc(CN(C(=O)[C@@H]2Cc3ccccc3O2)C2CC2)cc1 7116265 CEJGSJMXFKKLDA-IBGZPJMESA-N 323.392 3.190 0 40 DGAB CCCn1c(C)cc(C(=O)Cn2cnc3ccccc3c2=O)c1C 7268494 FKALHVUBRVTOIB-UHFFFAOYSA-N 323.396 3.108 0 40 DGAB Cc1ccc(C)c(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1 15860720 SOWBRIAGCYZNTG-INIZCTEOSA-N 310.397 3.401 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)NCc2cccnc2)n(C)n1 80626066 CIZZHOAGVMEJHY-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB Cc1cc(C(=O)Cn2cnc3sccc3c2=O)c(C)s1 7938521 PDEPZOTVSBMVCZ-UHFFFAOYSA-N 304.396 3.019 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N(C)C[C@H]1CCCO1 69036855 IXDSVTINALOLQZ-LLVKDONJSA-N 312.797 3.381 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1F 8259557 QAYYTWIFBJXWPG-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB O=C(CC1CCCCC1)Nc1ccn(CCc2ccncc2)n1 69440958 WWCGTOWJSFHPSN-UHFFFAOYSA-N 312.417 3.430 0 40 DGAB CCOC[C@@H]1CCN(Cc2c(C)nn(-c3ccccc3)c2C)C1 93838872 YQITYADVKKDJCA-QGZVFWFLSA-N 313.445 3.348 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cccc(F)c2F)c1 28304522 BYUWRMCRILXFBP-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB C[C@@H](c1cccc(O)c1)N(C)CC[S@@](=O)c1ccccc1 71897188 UCENPSQVECHKLL-QKKBWIMNSA-N 303.427 3.193 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)cc1 20492839 SBPBDEJRFQHMEK-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N(C)[C@@H](C)c2sc(C)nc2C)n1 71883116 SYLNSYOVVIBMTN-QWHCGFSZSA-N 320.462 3.354 0 40 DGAB C[C@@](O)(CNC(=O)/C=C/c1c(F)cccc1F)c1ccsc1 72306595 ADXOISTZMDOSCS-SQRWCISFSA-N 323.364 3.063 0 40 DGAB O=C([C@@H]1CC12CCCC2)N1CCCN(Cc2cccs2)CC1 72310342 VHNOKBHGBRRZLM-INIZCTEOSA-N 318.486 3.363 0 40 DGAB Cc1cc(-c2nc3sc4c(c3c(=O)[nH]2)CCC4)cc(C)c1O 72591868 SJSIKYDYHSSABB-UHFFFAOYSA-N 312.394 3.463 0 40 DGAB CC[C@@H](NC(=O)N[C@H](CCO)C1CCCCC1)c1ccncc1 95424802 QIYHLMBRTOJXGN-IAGOWNOFSA-N 319.449 3.163 0 40 DGAB CCc1nnc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)s1 78942653 GCZWVEHMVNLSBU-SFYZADRCSA-N 307.341 3.408 0 40 DGAB CCOC(=O)c1c(NCc2ccccc2)c2ccccc2[nH]c1=O 85345729 FCGCHPCECDLUPN-UHFFFAOYSA-N 322.364 3.317 0 40 DGAB Cc1ccccc1C(=O)C[C@@]1(O)C(=O)Nc2ccc(Cl)cc21 75106810 XSUZUUDHTYUPAJ-KRWDZBQOSA-N 315.756 3.061 0 40 DGAB O=C(c1cn[nH]n1)N1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1 75582424 JHPULBHSTCBOGQ-CYBMUJFWSA-N 324.306 3.191 0 40 DGAB O=C(NCc1ccc(O)c(Br)c1)C1=CCCCC1 188556772 KYRBGGNDGOBYGB-UHFFFAOYSA-N 310.191 3.271 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C)c(F)c2)CC1 73743090 HUEIGOKVMRYQFX-UHFFFAOYSA-N 306.381 3.158 0 40 DGAB Cc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(C)C)C3)n2)n1 72382381 SFOQGSXWIXBJIT-OAHLLOKOSA-N 311.433 3.430 0 40 DGAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NC1CCN(C)CC1 72727880 VWKHXJLRUHCJJI-LLVKDONJSA-N 312.866 3.031 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(CC)cc2)cc1 72228101 GMIBBJHGJMBNKH-MSOLQXFVSA-N 310.397 3.063 0 40 DGAB O=C(NCc1ccncc1)c1cn[nH]c1-c1cccc(Cl)c1 72328886 QDJKJVXVUCYFER-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB CC(C)CN1CCC(N[C@@H](c2nc[nH]n2)C2CCCCC2)CC1 563305991 XNKANNNYCJKIOU-QGZVFWFLSA-N 319.497 3.136 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cccc(C)c1C)c1ccccc1 40009887 OTASINLNZWXCMH-QGZVFWFLSA-N 311.381 3.338 0 40 DGAB Cc1ccc(NC(=N)Nc2nc(=O)c3ccccc3s2)cc1 40385346 UJHNPJVNFMQZPP-UHFFFAOYSA-N 310.382 3.424 0 40 DGAB CCCc1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41123632 CQCDMDLOZGULNQ-LBPRGKRZSA-N 319.430 3.032 0 40 DGAB CC(C)CC(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226245162 DWAGHZCKHYDGTN-UHFFFAOYSA-N 311.429 3.172 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC=C(c2ccccc2)C1 225458306 LKAQUBAYCWUMAT-AWEZNQCLSA-N 324.428 3.288 0 40 DGAB Cc1cc(C)cc(O[C@H](C)C(=O)NCCOc2ccccc2)c1 224609079 JARMVHXDFPJTFG-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB NNc1c(Br)cc(F)c(Cl)c1Br 199538849 CUCGKQATNRERDE-UHFFFAOYSA-N 318.371 3.290 0 40 DGAB CO[C@H](CNc1ccccc1OCC(F)(F)F)[C@@H]1CCOC1 583651160 ILDGQPCAOLDJCK-BXUZGUMPSA-N 319.323 3.091 0 40 DGAB Cc1ccc(C[C@@H](C)NC(=O)Cc2c(C)noc2Cl)s1 96414575 FXNJGTBVPJRTIG-MRVPVSSYSA-N 312.822 3.296 0 40 DGAB Cc1nccc([C@H]2CCCN(c3cc(C(C)(C)C)ncn3)C2)n1 585097886 BDMUPJQPZRFKOE-AWEZNQCLSA-N 311.433 3.257 0 40 DGAB O=C(C1CCCC1)N1CCC[C@H]1c1cccc(-n2ccnc2)n1 257305168 SOSIATPNYNZBPA-INIZCTEOSA-N 310.401 3.121 0 40 DGAB COc1ccc(CC(=O)N2CCC[C@H]2CCc2ccncc2)cc1 257279986 OJAMOUNCDUZETM-SFHVURJKSA-N 324.424 3.257 0 40 DGAB COc1ccc(C(=O)Nc2nccs2)cc1Br 293810 AFPIWZLAPLREID-UHFFFAOYSA-N 313.176 3.167 0 40 DGAB O=C(/C=C/c1cccs1)Nc1cnn(C[C@H]2CCCCO2)c1 390828536 RTFGMRDWWPXOTN-PSKZRQQASA-N 317.414 3.166 0 40 DGAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C2CCCC2)C3)n1 585105058 OKWNMDJFWWGDBS-QGZVFWFLSA-N 318.486 3.409 0 40 DGAB CC[C@H](NC(=O)N[C@@H](C)c1ccncc1)c1nc(C)cs1 78518445 SVVMLMUGJKATAZ-AAEUAGOBSA-N 304.419 3.358 0 40 DGAB C[C@@H](O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 82994903 MHRZCRSLZGBEAG-CYBMUJFWSA-N 311.381 3.296 0 40 DGAB in-vitro COCCc1nc(C)c([C@H](C)N[C@@H]2CCCSC2)s1 92766496 SAVDODUXVKAUEW-CMPLNLGQSA-N 300.493 3.187 0 40 DGAB CCOC[C@H]1CCN(CC2=Cc3cc(Cl)ccc3OC2)C1 93838727 KZTHHDXYWSHBSB-ZDUSSCGKSA-N 307.821 3.474 0 40 DGAB CSC[C@@H]1CCN(C(=O)CSc2ccc3c(c2)CCC3)C1 95960768 VNNQIYVOVXLMAT-CYBMUJFWSA-N 321.511 3.479 0 40 DGAB CC(C)(C)OC(=O)/C=C1/CCN(C(=O)OC(C)(C)C)C[C@H]1F 169805758 HZINXEXOXZZKRX-UCQJPZFISA-N 315.385 3.233 0 40 DGAB O=C(c1cccs1)N1CC[C@H](COCc2ccccc2)C1 96426048 LDARIWDTORTIML-HNNXBMFYSA-N 301.411 3.427 0 40 DGAB Cc1ccc([C@@H]2NC(=O)c3cnn(-c4ccccc4)c3N2)cc1 12447698 FUNYIAJXEZCHTM-INIZCTEOSA-N 304.353 3.035 0 40 DGAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccc(F)cc1 13011498 XEDFKYXGQKTKCM-MRXNPFEDSA-N 318.417 3.454 0 40 DGAB CCN1CC[C@@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 13139333 HGHSAQKKTCGYPM-UYAOXDASSA-N 309.409 3.099 0 40 DGAB O=C(NC(=S)Nc1nccs1)c1ccc2ccccc2c1 14257677 NXSZLYHIUYXLBV-UHFFFAOYSA-N 313.407 3.423 0 40 DGAB CCc1ccc(/N=c2\sc(C)c(OC(C)=O)n2C(C)=O)cc1 5375752 YBHFNSKUTFFROH-MSUUIHNZSA-N 318.398 3.238 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC 4588589 RFLJJYBWEPBLMC-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB O=C(OCc1cc(=O)oc2cc(Br)ccc12)C1CC1 10730488 BTKAHZFISRQLLG-UHFFFAOYSA-N 323.142 3.009 0 40 DGAB Cc1nc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)sc1C 1859603 ANWJVHXPSHGFCI-CVEARBPZSA-N 306.431 3.484 0 40 DGAB CN(C)C1(c2nnnn2-c2ccc(Cl)cc2)CCCCC1 4557894 NZDONKWHQDMJRZ-UHFFFAOYSA-N 305.813 3.037 0 40 DGAB Cc1ccc(C)c(-c2nnc(NC(=O)COc3ccccc3)o2)c1 5169688 VJLWQAOYSMMPGM-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccccc2OC)cc1C 16003399 QETXGGSGWHILCI-UHFFFAOYSA-N 319.382 3.494 0 40 DGAB Cc1oncc1C(=O)NC[C@H](c1ccco1)c1cccs1 585147667 CSKPTHBWYRRDNA-GFCCVEGCSA-N 302.355 3.199 0 40 DGAB CC1(C)Cc2ccccc2-c2nc(CN3CCCCC3)[nH]c(=O)c21 20029320 PEQYJPUDEWBTFF-UHFFFAOYSA-N 323.440 3.257 0 40 DGAB Cc1ccc(C(C)(C)C)cc1S[C@H]1CC(=O)[C@@H]2OC[C@H]1O2 99106 MKGHGRHUWHPWPR-VNQPRFMTSA-N 306.427 3.468 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@@H](C)CO1 40500946 JJULAXGYALKZDR-QWRGUYRKSA-N 320.389 3.199 0 40 DGAB Cc1nnc([C@H](NC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)n1C 101542854 FYNPVLIMTMLPGO-LEUOFYLZSA-N 308.429 3.015 0 40 DGAB CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1C 42768 HLHPUWPESKVCIX-UHFFFAOYSA-N 319.382 3.347 0 40 DGAB Cc1cc(C)c2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc2c1 418502 HCHUZLRFVOZGCJ-UHFFFAOYSA-N 322.364 3.486 0 40 DGAB CC(C)Oc1cccc([C@@H](C)Nc2ncnc3c2cnn3C)c1 52280466 YEPKRIYMLCKCKK-GFCCVEGCSA-N 311.389 3.324 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@H](c1cccs1)N(C)C 21556535 VYPOIPOBTXTHAI-GFCCVEGCSA-N 321.446 3.201 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4275762 HBCUBPZWPIQNNA-UHFFFAOYSA-N 302.399 3.397 0 40 DGAB CCCCOCCCNC(=O)c1ccc2nc(C)c(C)nc2c1 21706999 LAYMRCZJAHEROS-UHFFFAOYSA-N 315.417 3.183 0 40 DGAB COc1ccc([C@@H]2Sc3ccccc3N2S(C)(=O)=O)cc1 4986082 LPGRDMHMCXINMP-HNNXBMFYSA-N 321.423 3.266 0 40 DGAB COc1ccc(-c2nc(C3CCNCC3)cc3c2ncn3C)cc1 107493383 AHOHQLCWXQUOCH-UHFFFAOYSA-N 322.412 3.111 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](c2c[nH]c3ccccc23)C1=O 485771 QCMFDRFYNIJLML-ZDUSSCGKSA-N 320.348 3.224 0 40 DGAB biogenic FC(F)(F)c1ccc([C@H]2CN(c3cnccn3)CCO2)cc1 97082702 UMCWOPHEVLCSSE-CYBMUJFWSA-N 309.291 3.073 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(OC(F)(F)F)cc1 46787265 IEEAOUSASUGEDS-MFKMUULPSA-N 317.307 3.332 0 40 DGAB COCCNCc1ccc(OCc2ccccc2F)c(OC)c1 8469170 DOKPHHDZXYMBJB-UHFFFAOYSA-N 319.376 3.149 0 40 DGAB S=C(/N=c1\sccn1Cc1ccccc1Cl)NC1CC1 103332151 AMVFCRTWEAXISG-VKAVYKQESA-N 323.874 3.189 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1cc(Cl)ccc1O 22326632 NIXJVFDIFJRVAP-UHFFFAOYSA-N 317.776 3.293 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1 22904209 GYUUSIAUJLLKMC-UHFFFAOYSA-N 308.381 3.315 0 40 DGAB O=C(Nc1cccnc1-n1cccn1)c1ccc2ccccc2n1 23177389 PPVMHCNTPRMMHO-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB O=c1c2cc(Br)ccc2ncn1Cc1ccccc1 949495 IVYWUGGSLNVZCV-UHFFFAOYSA-N 315.170 3.207 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(Cl)c2)cn1 23518862 DYKFELNUKLYTEC-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N1CCOCC1 16642895 ZDHYPINOMSNREV-UHFFFAOYSA-N 322.817 3.244 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)NCc1ccc(F)cc1 12508121 INCMJZPMLQTEKS-UHFFFAOYSA-N 315.373 3.111 0 40 DGAB Cc1ccc2c(c1)[C@](O)(CC(=O)c1ccccc1Cl)C(=O)N2 1320294 SITSYGASBXJFMA-QGZVFWFLSA-N 315.756 3.061 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)cc1N 57340482 AZEKQFZMFWDQDS-UHFFFAOYSA-N 314.385 3.418 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)C(=O)CCCNC(=O)C(C)(C)C 55483661 LARDCBNGSWXJFJ-CYBMUJFWSA-N 322.424 3.288 0 40 DGAB CO[C@@H](C)c1nc(CN(C)Cc2nc3c(s2)CCC3)cs1 97033998 XPFKKVYSBDMXFZ-JTQLQIEISA-N 323.487 3.428 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)cc1 109033192 VRFZBJIQPMQNMG-UONOGXRCSA-N 317.433 3.274 0 40 DGAB CC1(C)[C@H]2CCCC[C@H]2[C@H]1NCc1ccccc1OCCO 97019969 YQTRMFURLKUSQT-SOLBZPMBSA-N 303.446 3.362 0 40 DGAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@@H](C)C[C@H](C)C2)c1 57561997 DJLFODMVSWPYJO-RYUDHWBXSA-N 303.406 3.463 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)CCCc3cccs3)C2)no1 72231993 IHBVLGXOTYUYBO-ZDUSSCGKSA-N 319.430 3.168 0 40 DGAB Cc1ccsc1CN[C@@H](C)c1ccc2c(c1)NC(=O)CO2 27221326 BRBRIZZOOZQWPJ-NSHDSACASA-N 302.399 3.238 0 40 DGAB COc1cc(C(=O)N2CCN(c3cccc(C)c3)CC2)ccc1C 12616501 QGVSTHXRIUPMCZ-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)NC3CCCC3)o2)cc1 63889328 VJOJBDPSWPQGGX-UHFFFAOYSA-N 314.385 3.342 0 40 DGAB C[C@@H](NC(=O)CN1CCc2sccc2C1)c1ccc(F)cc1 10341517 FJFOVHOBGFKKPD-GFCCVEGCSA-N 318.417 3.123 0 40 DGAB O=C(Nc1cccc(F)c1)Nc1cccc(Cn2cncn2)c1 58329088 CCZNFIRLSDNOJQ-UHFFFAOYSA-N 311.320 3.110 0 40 DGAB CC(C)c1ccc(C(=O)N2CCN(c3nccs3)CC2)cc1 10669026 ILBOIZZJVOYHOJ-UHFFFAOYSA-N 315.442 3.229 0 40 DGAB CC(=O)C1(C(C)=O)OC(c2ccc(Cl)cc2Cl)=NS1 28294086 ORSAALAKCBWEPH-UHFFFAOYSA-N 318.181 3.293 0 40 DGAB O=C(OCc1c(F)cccc1Cl)[C@@H]1COc2ccccc2O1 3430949 NEKNXLHXUCZBLD-HNNXBMFYSA-N 322.719 3.362 0 40 DGAB O=C(CSc1ccc2c(c1)OCCO2)Nc1ccccc1 3499086 GVUWPLOHYXCQRS-UHFFFAOYSA-N 301.367 3.189 0 40 DGAB CN(Cc1cccc(F)c1)[C@@H](C(=O)NC1CC1)c1ccccc1 12993016 ULHRXGXKPFHPHY-GOSISDBHSA-N 312.388 3.277 0 40 DGAB O=C(Cc1ccc2c(c1)CCC2)Nc1ccc2c(c1)OCCO2 8231729 GNBJYPWRDNYQKF-UHFFFAOYSA-N 309.365 3.128 0 40 DGAB CCCCNC(=O)c1ccn(COc2cc(C)ccc2C)n1 28231447 SYQRHNGCUGAQBU-UHFFFAOYSA-N 301.390 3.066 0 40 DGAB O=C(Cc1ccc2ccccc2c1)Nc1ccc2[nH]c(=O)[nH]c2c1 14016322 XMZWCSBIKWQGNC-UHFFFAOYSA-N 317.348 3.191 0 40 DGAB O=C(Nc1nccs1)N(CCO)[C@H]1CCCc2ccccc21 72286259 FEJKAFBWMGJTGG-AWEZNQCLSA-N 317.414 3.047 0 40 DGAB CSCCCNC(=S)N[C@H]1CCSc2ccccc21 6543084 BCIZAHWUQZFPHC-LBPRGKRZSA-N 312.529 3.441 0 40 DGAB COc1ccccc1C/C(C)=C/C(=O)N(C)Cc1ccccn1 69527765 MTZWBVGFYVOTHX-FYWRMAATSA-N 310.397 3.238 0 40 DGAB Cc1noc([C@H](C)NC(=O)Nc2ccc3nc(C)sc3c2)n1 69656234 PLTHOFUBPDPJDV-ZETCQYMHSA-N 317.374 3.179 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2cc(C)cc(C)c2)C1 69633071 YZMKZOUJCHOLJS-INIZCTEOSA-N 316.445 3.072 0 40 DGAB C[C@@H](Sc1nncn1C1CC1)C(=O)Nc1cccc(Cl)c1 8749292 STFAYPSHTGRQKK-SECBINFHSA-N 322.821 3.386 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cnc3ccccc3n2)N1C1CC1 7364526 VOCBHPXXUYCCHO-GOSISDBHSA-N 316.364 3.359 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCCSc2ccccc2)cc1 18214470 OTZQWGWUNUPSKD-UHFFFAOYSA-N 314.410 3.167 0 40 DGAB COCCc1nc(C)c([C@@H](C)N[C@H]2CCCSC2)s1 92766497 SAVDODUXVKAUEW-PWSUYJOCSA-N 300.493 3.187 0 40 DGAB COC(=O)[C@@H](C)SCc1nnc(-c2ccc(Cl)cc2)o1 97165367 RHPGMFAOWKANCV-MRVPVSSYSA-N 312.778 3.185 0 40 DGAB CCc1ccc(NC(=O)N[C@H]2CCCC3(C2)OCCO3)cc1 96006808 BSBTWRDZJWTUBA-HNNXBMFYSA-N 304.390 3.056 0 40 DGAB CCc1nc(C(=O)N2CCSC[C@@H]2c2ccccc2)co1 97108916 WUSASXRVMHPTQQ-CQSZACIVSA-N 302.399 3.167 0 40 DGAB COc1ccc2nc(NC(=O)c3ccc4[nH]cnc4c3)sc2c1 9338009 FWEGBYQDDPYENE-UHFFFAOYSA-N 324.365 3.434 0 40 DGAB Cc1ccc(-c2[nH]ncc2C(=O)NCc2ccc(F)cc2)cc1 72328928 LDIWYAXUYFHXCE-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB CCOc1cccc(CNC(=O)CSc2ccccc2)c1 22511995 ALCDCMANIOYCNR-UHFFFAOYSA-N 301.411 3.494 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)CC(C2CC2)C2CC2)c1 71866041 YOIJWEFTGDLMAV-QGZVFWFLSA-N 315.461 3.399 0 40 DGAB CNC(=O)c1ccc(NC(=O)N2CC[C@H](c3ccccc3)C2)cc1 71844087 ZTSSDKJKCXIPCL-INIZCTEOSA-N 323.396 3.068 0 40 DGAB C[C@@H]1CCCC[C@H]1OCC(=O)Nc1ncccc1OC(F)F 71903613 XFPDQEKOUFFLOU-GHMZBOCLSA-N 314.332 3.217 0 40 DGAB C[C@H]1C[C@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2)C1 72019191 LTRGJYQXCYMQIU-HOTGVXAUSA-N 317.477 3.242 0 40 DGAB CC(C)c1nc(C(=O)N2C[C@H](C)CN(C)c3ccccc32)c[nH]1 95405630 LSIZGXRMYYDEGC-CYBMUJFWSA-N 312.417 3.266 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2ccccc2OC(F)(F)F)[C@@H]1C 95454883 RGODPVUNRLDQOG-ZJUUUORDSA-N 318.295 3.226 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)NCc2ccsc2)cc1 95420292 KHCBKOHWWXUHCN-GFCCVEGCSA-N 324.471 3.361 0 40 DGAB C[C@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cnn(C)c1 95436055 WHKMWOHGIWMRFB-XJKSGUPXSA-N 315.417 3.154 0 40 DGAB CCN(C(=O)[C@@H](C)N(C)Cc1nccs1)C1CCCCC1 95430731 QFZHYMLPTXMLMM-CYBMUJFWSA-N 309.479 3.145 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cscn1 74016524 MZHGYZHXUFUBDQ-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB CCc1noc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)CC 95985580 MXDNBAJTFNRAOO-MRXNPFEDSA-N 301.390 3.177 0 40 DGAB CCn1cc(NC(=O)c2oc(-c3ccccc3)nc2C)ccc1=O 78875900 ZESQKCIPHZPJHZ-UHFFFAOYSA-N 323.352 3.084 0 40 DGAB Cc1ccoc1C(=O)NC1CCN(c2ncccc2Cl)CC1 95964910 QFNXYRWXHTYRDP-UHFFFAOYSA-N 319.792 3.035 0 40 DGAB Cc1ncccc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984649 SMZNJEQOXCQLOD-JKSUJKDBSA-N 316.788 3.303 0 40 DGAB COc1ccccc1CNC(=S)c1ccc(OC)c(OC)c1 408577907 VPZJFOFMYGNBFZ-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB Cc1cnc([C@@H](NCc2cccc3c2OCO3)C2CC2)s1 89702399 OQMKTHAMWYXMAD-AWEZNQCLSA-N 302.399 3.421 0 40 DGAB C[C@@H](NC(=O)c1cccc2cc[nH]c12)[C@H]1COc2ccccc21 89894447 SYXYUFMOEGSQDV-MLGOLLRUSA-N 306.365 3.462 0 40 DGAB O=C(N1CCC[C@@H](c2ccn[nH]2)C1)C12CC3CC(CC(C3)C1)C2 89884740 WOUDUFCFALWLDL-LZUXJJCOSA-N 313.445 3.332 0 40 DGAB O=C(N1C[C@H]2CCCC[C@@H]2C1)C1(c2ccccc2)CCOCC1 89827746 ZHYAQKDMSIYPCF-IAGOWNOFSA-N 313.441 3.383 0 40 DGAB C[C@@H](C1CC1)N(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CC1 31654950 SXHDLOBJOSSRAA-NSHDSACASA-N 317.820 3.111 0 40 DGAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@H]1CC[C@@H]2C(=O)CO 404484 YNCNEPHWJBSKJJ-QEYSWXTQSA-N 316.441 3.306 0 40 DGAB biogenic CCc1ccc(N[C@H]2NC(=O)/C(=C/c3ccco3)S2)cc1 408769673 YYQUJWIAWMTUDP-DNXIFWLFSA-N 300.383 3.442 0 40 DGAB CC(=O)Nc1cc(C(=O)N[C@@H]2CCCC(F)(F)C2)ccc1C 532631055 PQGTYOYGKAPMNB-CYBMUJFWSA-N 310.344 3.261 0 40 DGAB CCCNC(=O)c1sc2nc(C(F)(F)F)cc(C)c2c1N 32117757 HZABOQMLMXWSAU-UHFFFAOYSA-N 317.336 3.346 0 40 DGAB Cc1cc([C@H](C)NCC(=O)N[C@@H](C)c2cccs2)c(C)o1 183808044 ULELMASOQHJNJL-RYUDHWBXSA-N 306.431 3.486 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c1 40097764 UFEWCXNJYKUUJR-INIZCTEOSA-N 320.339 3.437 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)N[C@H](C)CC 225010471 WEAYDXYSPPSKJB-CABCVRRESA-N 304.434 3.119 0 40 DGAB CCC[C@H](NC(=O)N1CCSC(C)(C)C1)c1ccccn1 83650502 GFQNHZLVGSJBKG-AWEZNQCLSA-N 307.463 3.460 0 40 DGAB CCCc1noc([C@@H]2CCCN(C(=O)C3CCCCC3)C2)n1 41122433 CJJUCBXTAIDSMB-CQSZACIVSA-N 305.422 3.308 0 40 DGAB Oc1cccc(CN(C[C@@H]2CCC=CO2)C2CCC(O)CC2)c1 193829614 NGWZKKWVOABJBC-TVPLGVNVSA-N 317.429 3.190 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCCc2c1cnn2C(C)(C)C 47281866 VNDKKMHHPGMNLO-AWEZNQCLSA-N 301.390 3.347 0 40 DGAB COc1ccc(-n2cnnc2SCCSC(C)(C)C)cn1 225777253 LZTHFDPANGVAJR-UHFFFAOYSA-N 324.475 3.295 0 40 DGAB COC(=O)NCCC(=O)N1CCCC[C@@H]1c1cccc(C)c1C 81323222 VQBIKYICPYLDAL-MRXNPFEDSA-N 318.417 3.103 0 40 DGAB CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 192679514 OZRKEYHBSIOAKK-CJNGLKHVSA-N 318.417 3.109 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 40079981 TUNDSAYIPIRMJW-QMTMVMCOSA-N 324.428 3.212 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1cccc(C)n1 225551832 DRLMPFHVODSEJO-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB c1csc(CN2Cc3ccnn3C[C@H](COCC3CC3)C2)c1 96189084 KTEXJUYKJHQNRK-OAHLLOKOSA-N 317.458 3.003 0 40 DGAB CCOC(=O)Cc1ccc(OC(F)F)c(Br)c1 144171001 MCFHNXVEFPDOAD-UHFFFAOYSA-N 309.106 3.156 0 40 DGAB CCc1ccsc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)O)s1 97235289 OIWKVORLTUZRMS-QMMMGPOBSA-N 324.427 3.265 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CC2=CCCCC2)C1 96476152 GWNWZBCCLSBEJP-CQSZACIVSA-N 308.422 3.003 0 40 DGAB COCCN1CCC2(CC1)C[C@@H](N1CCCC1)c1ccccc12 96079198 CSPBDAHNIRICLY-LJQANCHMSA-N 314.473 3.207 0 40 DGAB Cc1c[nH]cc1C(=O)N1CCC(Oc2cncc(Cl)c2)CC1 582958939 JKPWSXPXBJSJLJ-UHFFFAOYSA-N 319.792 3.055 0 40 DGAB c1ccc(-c2ccnc(NCCc3nc4c(s3)CCC4)n2)nc1 97272345 CPFWIRZKWGVTPE-UHFFFAOYSA-N 323.425 3.138 0 40 DGAB CCOC(=O)c1cccnc1SCc1nccn1C(F)F 96430234 WZHMDVJIMRZFGC-UHFFFAOYSA-N 313.329 3.142 0 40 DGAB CO[C@]1(C)C[C@@H](N(C)Cc2nccn2CC(F)(F)F)C1(C)C 96443599 WMBWVLLQXSLEGD-BXUZGUMPSA-N 319.371 3.081 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(c4ccccc4)C(=O)[C@H]3C2)s1 248129517 XXPYSZHYRBUERZ-PBHICJAKSA-N 312.438 3.151 0 40 DGAB COc1cc(/C=C/C(=O)N(C)c2ccon2)ccc1OC(C)C 585124982 BWGOPWQDEMBZTI-SOFGYWHQSA-N 316.357 3.147 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)s1 257279706 OHUPIVYLZZZIDZ-GFCCVEGCSA-N 306.456 3.462 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)c2cc(C)ccc2C)cc1 96103038 WEVONQBMHVFKPA-KRWDZBQOSA-N 315.438 3.489 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cn1)c1ccc(O)c(Cl)c1 75430892 LCMOTCZXXCDPAW-UHFFFAOYSA-N 317.776 3.293 0 40 DGAB CC(=O)NC1(C(F)(F)F)Oc2cc(Cl)c(Cl)cc2O1 45414 DINRFCNWBCALCE-UHFFFAOYSA-N 316.062 3.117 0 40 DGAB COC(=O)c1ccc(-c2cc(C(=O)O)c3ccccc3n2)cc1 88315531 ZWPULIGMKXOIPL-UHFFFAOYSA-N 307.305 3.387 0 40 DGAB C[C@@H]1CCOCCN1C(=O)NCc1ccccc1OC(C)(C)C 95984032 LIDHTQIAOGMPPP-CQSZACIVSA-N 320.433 3.184 0 40 DGAB N#Cc1c(F)c(C#N)c(Br)c(F)c1Br 149813441 ZAQPGAJCAAOATH-UHFFFAOYSA-N 321.906 3.233 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2C(C)=O)cc1 5127135 DRPXMGHPUBAANO-UHFFFAOYSA-N 319.382 3.089 0 40 DGAB CC(C)(C)[C@H]1CC(C2=C(O)C(=O)OC2)=NN1c1ccccc1 5354645 NSNAFOBGDDPLOT-CQSZACIVSA-N 300.358 3.036 0 40 DGAB COc1ccc(-c2cc(CC(=O)Nc3ncccc3C)no2)cc1 12634120 XSCDEZAKIHVLKQ-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)Cc2cccc(C)c2)c1 13669074 OXTLOOCWIMRALU-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB COc1ccc([C@@H]2O[C@@H](C)CN(C(=O)c3ccccc3)O2)cc1 268756 ZLCKOEAWKZDBGT-SCLBCKFNSA-N 313.353 3.187 0 40 DGAB CCOC(=O)Nc1ccc2c(c1)N(CC)C(=O)C(C)(C)CO2 8959477 HTPXZYJOQBNDOY-UHFFFAOYSA-N 306.362 3.027 0 40 DGAB O=C(c1ccc(Cl)nc1)n1cccc/c1=N\C1CCCCC1 14903707 GUDCBEKBRXJERG-CAPFRKAQSA-N 315.804 3.458 0 40 DGAB Fc1cc(F)cc(CN2CCC(COc3cnccn3)CC2)c1 1849679850 KOIUKFWHDPYJAY-UHFFFAOYSA-N 319.355 3.046 0 40 DGAB CCSCC(=O)N1C[C@H]2CCN(CC3CCCC3)CC[C@H]2C1 2056223774 FOWHNXJICSBKSX-CALCHBBNSA-N 324.534 3.100 0 40 DGAB O=S1(=O)N=C(SCc2cccc(F)c2)Nc2ccccc21 6918529 ZHLSRAUTARMBKL-UHFFFAOYSA-N 322.386 3.229 0 40 DGAB CN1CCCc2cc(CCNC(=O)NCc3ccccc3)ccc21 23144030 VBAJERDMOZZBLW-UHFFFAOYSA-N 323.440 3.111 0 40 DGAB O=C(NC[C@H](c1ccsc1)n1cccn1)Nc1cccs1 575614208 PNGRDDWBRGZNNO-GFCCVEGCSA-N 318.427 3.417 0 40 DGAB COc1ccccc1CNCCc1ccc(-n2cccn2)cc1 78888764 UXDDUZJNUQUFIH-UHFFFAOYSA-N 307.397 3.213 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3cccc(C#N)c3)C[C@@H]2C)c1 3353150 JKLWWOUQKBHMCZ-INIZCTEOSA-N 319.408 3.218 0 40 DGAB COc1ccc(NC(=O)NCCc2ccccc2F)cc1OC 40097629 LFVAXLMPJBEMIR-UHFFFAOYSA-N 318.348 3.207 0 40 DGAB O=C(CCc1ccccc1)Nc1ccc(Br)cn1 36052 RVFJRCKGCBOSQQ-UHFFFAOYSA-N 305.175 3.415 0 40 DGAB CCOc1ccc(S(=O)(=O)NCc2ccccc2)c(C)c1C 30768855 BUKBLXDKOVPMRA-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB C[C@@H]1CN(C(=O)/C=C/c2ccccc2)c2ccccc2NC1=O 20900161 KCQDVPWRPNKLJB-GCZGRYASSA-N 306.365 3.321 0 40 DGAB COCc1ccc(C(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 29799384 HUWWATHKWIWUPM-UHFFFAOYSA-N 307.353 3.475 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@H]1c1cccs1 32727722 WEQIEBHSYIQJEV-HNNXBMFYSA-N 324.409 3.306 0 40 DGAB Cc1ccccc1C(=O)O[C@@H]1CCS(=O)(=O)c2sccc21 1394003 QAAXTELFALZOCM-CYBMUJFWSA-N 322.407 3.132 0 40 DGAB COc1ccc(C(=O)[C@@H]2SC(N)=N[C@H]2c2ccccc2)cc1 3019700 ZCHDLPRNEZDIPX-GOEBONIOSA-N 312.394 3.049 0 40 DGAB COc1ccc2nc(SC[C@@H](O)c3ccccc3)[nH]c2c1 4725911 XWKDOGHUYSOXKX-OAHLLOKOSA-N 300.383 3.397 0 40 DGAB O=S(=O)(NCC1CC1)c1ccc(Cl)cc1C(F)(F)F 32909202 ZFYIXTYULVJSTP-UHFFFAOYSA-N 313.728 3.047 0 40 DGAB O=S(=O)(O)c1cccnc1Nc1c(Cl)cccc1Cl 6017480 WLGWVYUEDPSKLN-UHFFFAOYSA-N 319.169 3.379 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1OC 6919676 GRGYJHUZUZBOCP-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB CCOc1ccc(NC(=S)NCCCN2CCCCC2)cc1 7369652 RMOJBDCBQRUFDA-UHFFFAOYSA-N 321.490 3.248 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(C(=O)O)cc2)cc1Cl 7604155 DMYZANCSGADAOV-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)N1CCc2sccc2C1 21890715 BYSFXXZWORGIDO-DHZHZOJOSA-N 305.424 3.107 0 40 DGAB c1ccc(-c2cccc(CNC[C@H]3CCc4nncn4C3)c2)cc1 75605514 BHYLEDJDEWTTDS-QGZVFWFLSA-N 318.424 3.297 0 40 DGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 10674803 TWOTWBXXZXGJHM-CQSZACIVSA-N 319.426 3.433 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)c(C)c1 8369026 MFQIGKYYEAGQEX-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB CCCc1nnc(SCCCOc2ccc(C=O)cc2)o1 8731623 BDRSJCZPODCPBI-UHFFFAOYSA-N 306.387 3.396 0 40 DGAB Cc1ccc(CNC(=O)CCc2nc3ccccc3s2)n1C 23574674 JCGLBYLPPPPSCB-UHFFFAOYSA-N 313.426 3.192 0 40 DGAB COc1ccc(C)cc1NCC(=O)N[C@H](C)c1cccs1 24217113 XLARWQDADTXTOK-GFCCVEGCSA-N 304.415 3.354 0 40 DGAB COc1cc(C(=O)NCCc2cccc(F)c2)cc(OC)c1C 24320297 JTEIUEYZBUQJBC-UHFFFAOYSA-N 317.360 3.124 0 40 DGAB C[C@H](Cn1cccn1)NC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 24804020 PKDOAXUFGJBYPC-CYBMUJFWSA-N 322.412 3.062 0 40 DGAB Cc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1 1465592 VKYUQVSYWPXZNA-UHFFFAOYSA-N 305.381 3.442 0 40 DGAB COc1cccc(C(=O)Nc2nc(C3CC3)cs2)c1OC 25560341 LFODAIAIZSCAPA-UHFFFAOYSA-N 304.371 3.290 0 40 DGAB O=C1C[C@@H](C(=O)NCc2ccc(Cl)cc2)C2(CCCCC2)O1 57355722 FQBYCAFGMCCEIW-AWEZNQCLSA-N 321.804 3.222 0 40 DGAB Cc1nc2cc(NS(=O)(=O)c3cc(F)ccc3F)ccc2o1 12536098 YCDYNXPGFQIOQP-UHFFFAOYSA-N 324.308 3.215 0 40 DGAB COc1cc(F)ccc1NC(=O)NCCCN1CCC[C@H](C)C1 44213392 YWYOHDGNCRVYED-ZDUSSCGKSA-N 323.412 3.078 0 40 DGAB C[C@H]1CN(C(=O)CNc2cc(Cl)cc(Cl)c2)C[C@H](C)O1 57525250 IWQUSTFJNMOXMP-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB C[C@]12C=C[C@@](C)(O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 100172015 KPLHLZRTFOXTCQ-XNFNUYLZSA-N 319.360 3.063 0 40 DGAB NC(=O)Nc1cccc(C(=O)NCC2(c3ccccc3)CCC2)c1 10221800 KIFIERDFNIXNTG-UHFFFAOYSA-N 323.396 3.029 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103097148 LNDBOYAKFWSGQU-JJXSEGSLSA-N 317.429 3.405 0 40 DGAB COc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 100746629 VPQQKWWSZVFVHQ-QZTJIDSGSA-N 301.386 3.419 0 40 DGAB Cc1ccc(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)cc1 58342490 ATXOQYDAHMGVLL-UHFFFAOYSA-N 301.390 3.341 0 40 DGAB Cc1cccnc1C(=O)c1ccc(I)cc1 45028668 ZRYIKFJPHLJBOP-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1ccc(C)cc1NCC(=O)Nc1ccc(F)c(F)c1 3342070 OWPGEQXZEJGRCB-UHFFFAOYSA-N 306.312 3.332 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CN1CCCCC1 2493220 QFJLVIBQTRNFGH-QGZVFWFLSA-N 300.446 3.413 0 40 DGAB Cc1ccc2cccc(NC(=O)N3CC[C@H](N4CCCC4)C3)c2n1 72285087 NJLZWRZCCALRNI-INIZCTEOSA-N 324.428 3.245 0 40 DGAB CCn1ccs/c1=N\C(=O)c1ccccc1Br 408564109 XUWRNLHCERGYTH-OWBHPGMISA-N 311.204 3.073 0 40 DGAB CSc1ccc(CN(C)S(=O)(=O)Cc2ccccc2)cc1 13014336 RXRZBFLNKZEAQX-UHFFFAOYSA-N 321.467 3.370 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)C(C)C)c(Br)c1 6127349 UDGJAGPCSSQUKK-NSHDSACASA-N 314.223 3.297 0 40 DGAB COC(=O)c1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 5172995 BJHFNCITFKYJHA-WJDWOHSUSA-N 321.332 3.126 0 40 DGAB COC(=O)c1cccc(NC(=O)/C=C/c2nc3ccccc3o2)c1 14069264 DMYHWKSXWYOQCG-MDZDMXLPSA-N 322.320 3.266 0 40 DGAB C[C@H](c1ccc2c(c1)OCCCO2)N(C(=O)C1CC1)C1CC1 72274678 WLLGQPLSYHZPBZ-GFCCVEGCSA-N 301.386 3.310 0 40 DGAB CC(C)CC(=O)Nc1ccc(C(=O)O)cc1NC(=O)CC(C)C 4591488 RXLLTTZSNVZESL-UHFFFAOYSA-N 320.389 3.354 0 40 DGAB Cc1cc(S(=O)(=O)N(C)[C@H](C)c2ccncc2)cc(C)c1F 173073963 WTKBXWPHXKECCA-CYBMUJFWSA-N 322.405 3.219 0 40 DGAB CN(CC(=O)NCc1ccc(F)cc1)Cc1cccc(Cl)c1 5937219 BQTOGHVOLYKRDS-UHFFFAOYSA-N 320.795 3.227 0 40 DGAB Cc1ncsc1CCCNC1CCC2(CCNCC2)CC1 67754607 ZSAWGDFULBUQNM-UHFFFAOYSA-N 307.507 3.286 0 40 DGAB CCOc1cc(NC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)ccc1C 97142463 HYPZPAZLNYKXLY-NVXWUHKLSA-N 318.417 3.473 0 40 DGAB Cn1c(SCC(=O)NC2CCCCC2)nc2ccccc21 7343490 KYSIKFWSYBZARP-UHFFFAOYSA-N 303.431 3.114 0 40 DGAB Cc1cc(N[C@@H](C)Cn2nc(C)cc2C)nc(-c2ccccn2)n1 68668105 SSSKSSRKKPDUAE-AWEZNQCLSA-N 322.416 3.161 0 40 DGAB CC1(C)C[C@@H](NCc2cccnc2OCC(F)F)C(C)(C)O1 90942082 SFEZCQWUICHNLC-GFCCVEGCSA-N 314.376 3.161 0 40 DGAB CC(C)[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 91280638 UDWBKVRRRCNTON-WFASDCNBSA-N 315.866 3.061 0 40 DGAB O=C(Cc1cc2ccccc2[nH]c1=O)N(C1CCCCC1)C1CC1 71833096 DPRJBTTWYBTYBY-UHFFFAOYSA-N 324.424 3.394 0 40 DGAB CC[C@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(F)cc1F 71915829 IPDCUAFKZLAWHA-INIZCTEOSA-N 320.339 3.392 0 40 DGAB Cc1ccccc1[C@H](C)Nc1cnn(C)c(=O)c1Br 71903092 MXBMCUPTNOVPFZ-JTQLQIEISA-N 322.206 3.024 0 40 DGAB OCC[C@@H](Nc1ccc(Br)cn1)c1ccccc1 84558696 GRKXHVVJWGTQOT-CYBMUJFWSA-N 307.191 3.380 0 40 DGAB CC(C)N(C(=O)[C@H]1C[C@@]12CCc1ccccc12)C1CCOCC1 84597226 IVHOORUKUUBSSX-UYAOXDASSA-N 313.441 3.307 0 40 DGAB CSc1ccc(C(=O)NCc2noc(-c3ccsc3)n2)o1 95395585 KFNGIRUCRCNGNL-UHFFFAOYSA-N 321.383 3.043 0 40 DGAB Cc1cccc(CC(=O)N[C@H](C)[C@H](O)c2c(F)cccc2F)c1 95430093 LYTGJSFSOKVLKD-XIKOKIGWSA-N 319.351 3.054 0 40 DGAB Cn1c(C(=O)N[C@H](c2ccccc2)C2CCCC2)cccc1=O 95441095 GUVWSPHDDJZQIZ-GOSISDBHSA-N 310.397 3.047 0 40 DGAB CCCc1nnc(N2CCc3cc(OC)c(OC)cc3C2)s1 95418445 DIBPVIVZKOXDPV-UHFFFAOYSA-N 319.430 3.071 0 40 DGAB CCCn1c(C)nnc1CN1C(=O)c2cccc3cccc1c23 95448478 GWHWQGBMDCMIBM-UHFFFAOYSA-N 306.369 3.310 0 40 DGAB COC(=O)[C@H]1CCCCC[C@@H]1NCc1csc(C2CC2)n1 95941456 RGFHILVGWUHJLI-KBPBESRZSA-N 308.447 3.232 0 40 DGAB CCCCc1nnc(NCc2ccc(C(=O)OC)cc2)s1 95943699 BRRQKVHJOAMCHY-UHFFFAOYSA-N 305.403 3.279 0 40 DGAB O=C(NCCc1ccc(O)cc1)[C@@H]1CCCC[C@H]1C(F)(F)F 89787465 WJYMZNNYQKIESV-ZIAGYGMSSA-N 315.335 3.420 0 40 DGAB O=C(CCc1cccc(F)c1F)N1CC[C@]2(O)CCCC[C@@H]2C1 89768151 QTKIWXHHMBBEMF-RDTXWAMCSA-N 323.383 3.051 0 40 DGAB CC[C@@H](c1ccc(Br)cc1)N(C)CCn1cnnc1 89947792 SXDFCFMSMZOMPU-AWEZNQCLSA-N 323.238 3.124 0 40 DGAB COc1cc(/C=C\C(N)=O)cc(Cl)c1OCc1ccccc1 409416254 SJWRWFATEFEYBR-FPLPWBNLSA-N 317.772 3.426 0 40 DGAB CCCCOCc1c(I)cnn1C(C)C 408715891 GJYRVVSSTCQXAU-UHFFFAOYSA-N 322.190 3.385 0 40 DGAB CC(C)Nc1c(Cl)cccc1NC(=O)CCc1cnn(C)c1 74257979 BJBIZWWIYSQUOL-UHFFFAOYSA-N 320.824 3.465 0 40 DGAB O=C(C1CCCC1)N1CCC[C@@H](c2cccc(-n3ccnc3)n2)C1 72378505 CQZHVRLOKMSMCW-MRXNPFEDSA-N 324.428 3.164 0 40 DGAB COc1ccccc1C[C@H](C)CC(=O)NCc1ccc(C)nc1 78615808 GTWIPRXUZWFMCR-AWEZNQCLSA-N 312.413 3.284 0 40 DGAB C[C@H](NC(=O)CC1CCCCC1)c1ccc(NC(N)=O)cc1 45834610 SKVJPDFCACUNCL-LBPRGKRZSA-N 303.406 3.325 0 40 DGAB COc1ccc([C@H]2CC(c3cccc(C)c3)=NN2C(C)=O)cc1O 226784139 WSXABBONPZZWBK-QGZVFWFLSA-N 324.380 3.407 0 40 DGAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 225729964 GGOHBTURBXHJIY-GOSISDBHSA-N 322.449 3.161 0 40 DGAB Cc1ccnc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 225731855 WWCCZCPJWVTTJE-GASCZTMLSA-N 320.506 3.044 0 40 DGAB Nc1ncc(-c2nc(-c3ccccc3C(F)(F)F)no2)s1 89263073 BZPAIPAWNRKMMJ-UHFFFAOYSA-N 312.276 3.461 0 40 DGAB Cc1ccsc1CCC(=O)NCCSC1CCOCC1 238954102 XOKCFJNPJCDRDJ-UHFFFAOYSA-N 313.488 3.018 0 40 DGAB CC(=O)Nc1ccc(NCc2ccccn2)c(Br)c1 97230455 MKIYIFBTIIWTKW-UHFFFAOYSA-N 320.190 3.415 0 40 DGAB Fc1cccc(N[C@H]2CO[C@]3(CCN(c4nccs4)C3)C2)c1 96072586 UTGYAFNQFGKOGA-GDBMZVCRSA-N 319.405 3.132 0 40 DGAB Cn1cnc2c1[C@H](COCC1CC1)CN(Cc1cccs1)C2 96044890 JKSKJPJFDUSNQA-AWEZNQCLSA-N 317.458 3.008 0 40 DGAB O=C(c1csc2ccccc12)N1CCCC[C@@H]1c1nc[nH]n1 96490133 WHPMBKCTIGKLCA-CYBMUJFWSA-N 312.398 3.387 0 40 DGAB c1coc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)c1 96057902 RAZLCNLHRAITHE-RCCFBDPRSA-N 305.418 3.218 0 40 DGAB Cc1c(NC(=O)[C@H](C)O[C@H]2CCC[C@H](C)C2)cccc1C(N)=O 96407173 LAEHPRCIADXUNY-UBHSHLNASA-N 318.417 3.016 0 40 DGAB Cn1cc(CN2CC[C@]3(CCOC3)C2)c(C2CCCCC2)n1 97372984 AYFCGIGHZRDEOS-SFHVURJKSA-N 303.450 3.080 0 40 DGAB CC(C)(C(=O)NC[C@H](O)c1ccsc1)c1ccccc1F 96475407 RYPDVUYGSXCVMF-AWEZNQCLSA-N 307.390 3.015 0 40 DGAB CNc1ccc(C(=O)Nc2ccc(CCN(C)C)cc2)cc1F 585121058 DUIFQCKYPPAZJY-UHFFFAOYSA-N 315.392 3.224 0 40 DGAB CCCCCCn1c(=O)c(C(=O)OCC)c(N)c2ccccc21 585158757 YVBXNZSPXZNQQG-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB O=C(c1ccsc1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257325731 WUEGKBYKHVOIMI-LBPRGKRZSA-N 312.398 3.039 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 257310479 UFFCZXQXIMROTN-OAHLLOKOSA-N 301.365 3.154 0 40 DGAB O=C(NCC[C@H](O)c1ccoc1)C12CC3CC(CC(C3)C1)C2 90612911 CBIKWRCLCJVQDC-IEKYFPHUSA-N 303.402 3.036 0 40 DGAB Cc1noc(CN2CCC[C@H]2c2ccc(Br)cc2)n1 52453524 LKBHRKAKOOUVSJ-ZDUSSCGKSA-N 322.206 3.478 0 40 DGAB CC(C)c1cc(NC(=O)c2csc(-c3ccccn3)n2)[nH]n1 58230390 AWJRIVYPNWXNAW-UHFFFAOYSA-N 313.386 3.304 0 40 DGAB Cc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@H](O)C3CC3)c2c1 87558590 DYSSKZFDOHZVEH-IBGZPJMESA-N 324.424 3.264 0 40 DGAB CC(=O)Nc1ccc(NCc2noc(CC(C)C)n2)c(Cl)c1 89856551 CBCGCCWYUAVGEO-UHFFFAOYSA-N 322.796 3.492 0 40 DGAB Cc1cccc(OC2CCN(C(=O)[C@H]3CC=CCC3)CC2)n1 96119545 OUDPTSNNZBABHV-HNNXBMFYSA-N 300.402 3.116 0 40 DGAB CC/C=C(\C)C(=O)NCc1cn2cc(Br)ccc2n1 96309345 JLWNQFJPNOJDCD-ONNFQVAWSA-N 322.206 3.069 0 40 DGAB COc1ccc(CCNC(=O)COc2cc(C)cc(C)c2)cc1 5539427 VQPWNNNSGMXPBX-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB O=C(CSc1nc(-c2ccccc2)c[nH]1)Nc1nccs1 5045373 PBYSVPCHAIYMTD-UHFFFAOYSA-N 316.411 3.264 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](CNC(=O)c2cccs2)C1 12185319 IVFTZMNASHOFIA-GFCCVEGCSA-N 324.446 3.125 0 40 DGAB CCN1CCN(c2ncc(-c3ccco3)c(-c3ccco3)n2)CC1 12253174 YXLNPJBRYHYYHV-UHFFFAOYSA-N 324.384 3.139 0 40 DGAB Cc1ccc(OCCN(C)CC(=O)N[C@@H]2CCCC[C@H]2C)cc1 15102632 CSYYJUABWPZDKN-SJLPKXTDSA-N 318.461 3.001 0 40 DGAB CCn1c(=O)sc2cc(NC(=O)c3ccccc3F)ccc21 15865129 JKDAENXQZDDEMG-UHFFFAOYSA-N 316.357 3.474 0 40 DGAB O=C1NC(c2ccc(Cl)cc2)=N/C1=C\c1ccccc1F 16448987 XIJBWSVPLMMWAU-ZROIWOOFSA-N 300.720 3.397 0 40 DGAB Oc1ccc(N2CCN(CCc3ccc(Cl)cc3)CC2)cc1 19223831 RIUUORHLAOUJNR-UHFFFAOYSA-N 316.832 3.410 0 40 DGAB Cc1nn(C)c(C)c1CNC[C@@H]1CCO[C@H]1c1ccc(F)cc1 521394098 PNKUZOSYWHRKCP-YJBOKZPZSA-N 317.408 3.043 0 40 DGAB Cc1sc2nc([C@H](C)Sc3nncs3)[nH]c(=O)c2c1C 4938662 JVTBBLVZVNEUBL-ZETCQYMHSA-N 324.456 3.306 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)NCCc1cn2ccccc2n1 26287175 KHTSELKPIMTWAT-HNNXBMFYSA-N 322.412 3.279 0 40 DGAB O[C@@H]1CCOC2(C1)CN(C(c1ccccc1)c1ccccc1)C2 953116038 SUJSQCUCHFJMBR-GOSISDBHSA-N 309.409 3.002 0 40 DGAB CC1=NN(c2ccc(C(=O)N[C@H](C)c3ccncc3)cc2)CC1 40544201 GVCJCLPTBTYMRL-CQSZACIVSA-N 308.385 3.159 0 40 DGAB CCOC(=O)c1cc(-c2cc(F)ccc2Br)on1 260129924 HKWZPMXKXMXEQZ-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@@]1(C)O 1024745 GIWADHSGRXSAST-IXDOHACOSA-N 319.788 3.281 0 40 DGAB CCC(CC)C(=O)NCCc1cc2c(C)ccc(C)c2[nH]c1=O 8584011 WJUSEMSDBRNMSE-UHFFFAOYSA-N 314.429 3.240 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1cccs1 1775965402 ILHYRPPBCNDLEE-JTQLQIEISA-N 303.339 3.065 0 40 DGAB CSc1ncccc1C(=O)N1CCO[C@H](c2ccccc2)C1 27908928 KLQLAPUKZMMMBF-HNNXBMFYSA-N 314.410 3.017 0 40 DGAB Clc1ccc2nc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)oc2c1 1889133959 MDJYOWHCWMPQOQ-VXGBXAGGSA-N 317.820 3.402 0 40 DGAB COc1ccc2c(CN3CCc4ccccc4C3)cc(=O)oc2c1 20352886 ULPOKEPWRMVWPT-UHFFFAOYSA-N 321.376 3.360 0 40 DGAB biogenic,in-vitro C[C@](O)(CNC(=O)c1cccc2ccccc12)Cc1ccco1 206614004 SDEIQRJLMPCUOL-LJQANCHMSA-N 309.365 3.156 0 40 DGAB Cc1cccc(-n2ncc3c(NCc4ccccn4)ncnc32)c1 74310 JQNVSBKRXFJQIQ-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB COc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)c1 578818 AVFIVFPDUDKEKU-UHFFFAOYSA-N 322.364 3.410 0 40 DGAB CCC(CC)N(C)C(=O)NC1CCN(Cc2ccccc2)CC1 40067743 QXGXRZXHLKOLNQ-UHFFFAOYSA-N 317.477 3.481 0 40 DGAB Cc1ccc(C(=O)NC2CCN(C(=O)CCC(C)C)CC2)s1 50475760 PGUWSTQZWIAWPA-UHFFFAOYSA-N 322.474 3.214 0 40 DGAB Cc1cc(N2CCSCC2)ccc1NC(=O)NCC1CCC1 51648906 BBJKPIIBYDJDNS-UHFFFAOYSA-N 319.474 3.470 0 40 DGAB CC(=O)O[C@H](COc1ccccc1)Cn1cnc2ccccc21 787254 SNMPVIPGBNQOSS-INIZCTEOSA-N 310.353 3.047 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)cc1Cl 4015928 XHCQPQMOYOZWIE-XXHBBNRNSA-N 308.164 3.305 0 40 DGAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(F)cc1)C2 4388364 IRSRFHBPJOAFHA-ALOPSCKCSA-N 304.409 3.351 0 40 DGAB CSc1cccc(NC(=O)COC(=O)Cc2ccsc2)c1 21769928 WRZBAAPJRVOBFV-UHFFFAOYSA-N 321.423 3.194 0 40 DGAB CNC(=O)Nc1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 32903256 SBNHZHRLXZBLEM-UHFFFAOYSA-N 322.368 3.100 0 40 DGAB CCCN(C(=O)c1cnccn1)[C@@H]1C[C@@H](OCC)C12CCCC2 76019352 RQUAUXRTKUOOQO-HZPDHXFCSA-N 317.433 3.067 0 40 DGAB COc1cccc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c1 7214796 JZDLSPILTBLXHV-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1ccc(Cl)cc1Cl 21888178 JSOXPAGKDLYORE-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1 530656 PBDBSDCEKUEYQO-JKSUJKDBSA-N 305.385 3.315 0 40 DGAB CCOC(=O)N[C@H](CC(=O)NC1CCCCC1)c1ccccc1 107885842 FEFVGLCJFWABSY-MRXNPFEDSA-N 318.417 3.313 0 40 DGAB c1cc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)co1 107711934 IIGWTLYDUWSVMC-MSOLQXFVSA-N 305.418 3.077 0 40 DGAB CC(C)C(=O)Nc1ccc(NC(=O)COc2ccccc2)cc1 9141872 DSTXRDQMQBMSOF-UHFFFAOYSA-N 312.369 3.299 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccsc1 47165937 SVVLGZKDLQGFQA-DGCLKSJQSA-N 324.446 3.325 0 40 DGAB CCn1c(C)nnc1SCc1nnc(-c2ccc(F)cc2)o1 20034224 RXCMXOMSMOVCCM-UHFFFAOYSA-N 319.365 3.088 0 40 DGAB O=C(NCc1ccco1)c1ccc(C(=O)c2ccccc2)cc1 3194738 QOYICTZHYLAHCC-UHFFFAOYSA-N 305.333 3.441 0 40 DGAB CCS[C@@H](C)c1nc(N)nc(Nc2ccccc2OC)n1 1069346 PPAOWJOCMVKVSC-VIFPVBQESA-N 305.407 3.020 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)n[nH]1 76060518 HQFUZHNHJAJLCN-ZFWWWQNUSA-N 315.417 3.438 0 40 DGAB CC(C)c1cc(NC(=O)CN2CCC[C@H](C(F)(F)F)C2)on1 24224883 JLCGYHQOAUXOAK-JTQLQIEISA-N 319.327 3.011 0 40 DGAB Cc1ccccc1-c1nc(Cn2ccc(=O)c3sccc32)no1 97014882 VOAKVFUXPLXECK-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB COc1ccccc1CC(=O)Nc1ccn(-c2ccccc2)n1 24982690 HFICPFWONKLMAZ-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB CC[C@H](C)[C@H](NC(=O)C[C@@H]1CCCO1)c1nc2ccccc2[nH]1 55441903 AXIIEZGKIIQUBD-DCGLDWPTSA-N 315.417 3.335 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)N(C)Cc3cc(C)on3)c2c1 25139242 FHACWPRLHPIDQZ-UHFFFAOYSA-N 311.385 3.282 0 40 DGAB O=C1CCCCN1CSc1nnc2sc3ccccc3n12 97080528 LWMVUCGMSIBVRB-UHFFFAOYSA-N 318.427 3.006 0 40 DGAB C[C@H]1COC[C@H](C)N1c1nn2cc(-c3ccccc3)nc2s1 1414353 UPPFUBBHKGZXNP-RYUDHWBXSA-N 314.414 3.071 0 40 DGAB C[C@H](NC(=O)NCCc1cccnc1)c1ccccc1Cl 12545834 IKACIRGWKUVBRS-LBPRGKRZSA-N 303.793 3.338 0 40 DGAB Cc1cc(NC(=O)c2coc3ccccc23)ccc1OCCO 97083406 SXIAFGZAUUCYNE-UHFFFAOYSA-N 311.337 3.365 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)N(C)C)c1 43992875 YGVLVOQPNDMXDI-DOMZBBRYSA-N 303.406 3.089 0 40 DGAB O=[S@@](Cc1cn2cc(Cl)cc(Cl)c2n1)CC1CC1 97083683 BXKJEOBKJZIKQB-SFHVURJKSA-N 303.214 3.300 0 40 DGAB Cn1cc(NC(=O)N(Cc2ccoc2)C2CCCCC2)cn1 97049393 UBJHLEWGBZZWHP-UHFFFAOYSA-N 302.378 3.380 0 40 DGAB COc1cccc2ccn(CCC(=O)NC[C@@H]3C[C@H]4C=C[C@H]3C4)c12 100794124 AVUFHUJGRKQEIP-XIRDDKMYSA-N 324.424 3.368 0 40 DGAB biogenic Cc1cc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)c(C)o1 3250422 IIOAGLXDHAWAOX-UHFFFAOYSA-N 321.760 3.023 0 40 DGAB Cc1cccc(-n2nnnc2C2(N3CCCCC3)CCCC2)c1 35622157 CHWUNXSBTOBEOZ-UHFFFAOYSA-N 311.433 3.226 0 40 DGAB Cc1ccc(-n2nnnc2SCc2csc(C)n2)c(C)c1 3367901 RFKUUGMGBLRBJH-UHFFFAOYSA-N 317.443 3.336 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20141733 FATGGOXTXKKNNF-UHFFFAOYSA-N 315.325 3.132 0 40 DGAB C[C@H](c1ccc(Cl)cc1Cl)N(C)CCS(C)(=O)=O 45007764 PYOFPCXVQADPLD-SECBINFHSA-N 310.246 3.031 0 40 DGAB Cc1nc2ccc(NC(=O)c3ccc4c(c3)OCCCO4)cc2[nH]1 10896333 GJXMVCVDNNJCRA-UHFFFAOYSA-N 323.352 3.285 0 40 DGAB COc1cccc(N[C@H](C(=O)NC2CC2)c2ccc(F)cc2)c1 11128594 URRYCDLYAFQQBN-KRWDZBQOSA-N 314.360 3.266 0 40 DGAB CC1CCC(NC(=O)Nc2ccc(CC(=O)N(C)C)cc2)CC1 48443869 CBHTWAJAUJOMTK-UHFFFAOYSA-N 317.433 3.018 0 40 DGAB Cc1ccccc1[C@H](C)CC(=O)NC[C@H]1CCN(C(C)C)C1 72286492 XMQMHSQUSCIWTA-IAGOWNOFSA-N 302.462 3.335 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1cccc(F)c1 12977616 PJRMMZHDOTWQAQ-CQSZACIVSA-N 323.414 3.341 0 40 DGAB O=C(O)c1cc(C(=O)O)c2cc(OCc3ccccc3)ccc2n1 13473778 TVYZHPKNCIDPQV-UHFFFAOYSA-N 323.304 3.210 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)CSc2nccn2C)cc1 5071501 RNLTWCCQBXUQIC-UHFFFAOYSA-N 317.414 3.134 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C(=O)O 4241620 NPRFKCUIVZCVND-UONOGXRCSA-N 305.374 3.030 0 40 DGAB CN(C)C(=O)CCC(=O)Nc1ccc(Oc2ccccc2)cc1 13895815 OHABPHGYQMPDQO-UHFFFAOYSA-N 312.369 3.286 0 40 DGAB Cc1ncsc1C(=O)N1C[C@H](C)O[C@H](c2ccccc2)C1 65504891 QQXPUMFCERILBB-FZMZJTMJSA-N 302.399 3.054 0 40 DGAB O=C(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1ccoc1 78301219 BRPZPGSMYPFGIK-UHFFFAOYSA-N 313.353 3.250 0 40 DGAB CC(=O)Nc1ccc(OCc2nnc(-c3cccs3)o2)cc1 6510336 ZDSTZMKSQICQLN-UHFFFAOYSA-N 315.354 3.336 0 40 DGAB COc1cc(/C=C/C(=O)O)cc(Br)c1OC(C)C 5727332 VFHGBHVZPKAHAH-SNAWJCMRSA-N 315.163 3.343 0 40 DGAB COc1cc(/C=C/C(=O)Nc2cccnc2)cc(Cl)c1OC 15435760 QXLLKBBDSUGAQR-AATRIKPKSA-N 318.760 3.404 0 40 DGAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@H]1CCCO1 7688572 AVVZVVKOMTUHAH-GFCCVEGCSA-N 310.325 3.206 0 40 DGAB COc1cccc2sc(NC(=O)c3ccc4[nH]cnc4c3)nc12 9338067 UOTGSVZQCVWPFJ-UHFFFAOYSA-N 324.365 3.434 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc(C)o2)c1 68786596 OIMYMQJVXJSTKM-TZMCWYRMSA-N 315.369 3.435 0 40 DGAB Cc1cn2c(CN(C)[C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)c(C)nc2s1 93610053 LILIQKTWVPLHGU-CFVMTHIKSA-N 319.474 3.258 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3ccccc3o2)c1 70015118 VADSRVITIZBSFY-OAHLLOKOSA-N 309.369 3.243 0 40 DGAB O=C(c1cccc2cn[nH]c12)N(CCC(F)(F)F)CC1CC1 84373043 PEUJNDLEOPDCOC-UHFFFAOYSA-N 311.307 3.368 0 40 DGAB C[C@@H]1CC(NC(=O)[C@@H](C)Oc2ccccc2Cl)C[C@@H](C)O1 95453428 PNQFKIAOLALCSC-IJLUTSLNSA-N 311.809 3.180 0 40 DGAB Cc1cnccc1CCNC(=O)N[C@H]1CCc2c(F)cccc21 95438056 GSQDMYDXCVPGFD-KRWDZBQOSA-N 313.376 3.058 0 40 DGAB CCc1noc(C)c1C(=O)O[C@H](C)c1cccc(NC(C)=O)c1 95449988 QPGAXWXZXIKXBE-SNVBAGLBSA-N 316.357 3.422 0 40 DGAB CC[C@@H](NC(=O)c1ccc(C(=O)O)s1)c1ncc(C)s1 95969754 SXBSICIWOWEIGJ-MRVPVSSYSA-N 310.400 3.092 0 40 DGAB O=S(=O)(Nc1cccc(F)c1)c1cnc(Cl)cc1Cl 95982808 OYVWWDRRFFVTNN-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3ccccc3OC)C2)c1 89930425 BUKOYPUBCSKNRK-GOSISDBHSA-N 324.380 3.401 0 40 DGAB CCOc1ccc(C(=O)CCNc2ccc(C(=O)O)cc2)cc1 26959099 CNJNFBQIFIVPGA-UHFFFAOYSA-N 313.353 3.468 0 40 DGAB COc1ccc(N)cc1NC(=O)c1cc(Cl)ccc1OC 20003208 SGNSVWVSVDJWHW-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB C[C@H]1CCn2ncc(C(=O)Nc3cccc4ccncc34)c2C1 514605721 TWTRKTKRZRUFJJ-LBPRGKRZSA-N 306.369 3.266 0 40 DGAB C[C@H](NC[C@H](O)c1ccc(F)cc1)[C@@H]1COc2ccccc21 185639549 DNPANLOIBCNKEY-ZLIFDBKOSA-N 301.361 3.013 0 40 DGAB c1ccc(-n2cc(-c3ccc(C[C@@H]4CCNC4)cc3)cn2)nc1 530249573 AKZHHPWPHNBKSW-INIZCTEOSA-N 304.397 3.086 0 40 DGAB Cc1ccc(-c2c(C)nn3c(NCCCO)c(C)c(C)nc23)cc1 72341708 FDEPRUBRWCLVBL-UHFFFAOYSA-N 324.428 3.424 0 40 DGAB COc1ccc([C@@H](CC(=O)O)c2ccc(F)cc2)cc1OC 41529003 LUHJUDQOUWKJSU-AWEZNQCLSA-N 304.317 3.450 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)Cc2cccs2)cc1C 225477758 DQVHJUONWVJBOT-AWEZNQCLSA-N 303.427 3.491 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Sc2ccccc2)s1 223575743 WBCFVTQCNITGJB-QMMMGPOBSA-N 311.457 3.379 0 40 DGAB CCc1nc(CC)n(Cc2ncc(-c3cccc(F)c3)o2)n1 85264894 LULLYVKLVJSNOB-UHFFFAOYSA-N 300.337 3.245 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@H](C)C(C)C)cc1C(C)C 225233644 YTGMPIWVLWFVLJ-CYBMUJFWSA-N 313.463 3.450 0 40 DGAB Cc1ccc([C@](C)(O)CNC(=O)Nc2nc(C(C)C)cs2)o1 96433830 IYAHLDZXACKTRH-OAHLLOKOSA-N 323.418 3.197 0 40 DGAB CC1(C)C[C@@H](NCc2noc(-c3ccsc3)n2)C(C)(C)O1 97103325 UHYOHTJZVURYLM-LLVKDONJSA-N 307.419 3.234 0 40 DGAB CCOC(=O)CCCOc1cc(Br)cc(F)c1F 95734063 HTDMIWLEYPNYQZ-UHFFFAOYSA-N 323.133 3.449 0 40 DGAB CN(C(=O)Nc1cccnc1Cl)[C@H](CCO)c1ccccc1 96441347 QOXWEYAJVSCEFW-CQSZACIVSA-N 319.792 3.322 0 40 DGAB Cn1c(CN[C@@H]2CCO[C@H]2c2ccccc2)nc2ccccc21 96447539 CJTQCXZRSJKVRQ-APWZRJJASA-N 307.397 3.193 0 40 DGAB CCOc1cccc2c1CC[C@@H]2NC(=O)[C@@H]1CCC(=O)C[C@H]1C 252486570 LPQJPWMHJZXBBJ-MRRJBJDNSA-N 315.413 3.194 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 251619774 CLWNWRDFRIWILD-HZSPNIEDSA-N 320.458 3.048 0 40 DGAB CN(Cc1ccccn1)[C@H](C(=O)O)c1ccc(C(F)(F)F)cc1 1598531119 VHMCFQKXTGUTSN-AWEZNQCLSA-N 324.302 3.358 0 40 DGAB CCOC(=O)Cn1c(C(=O)OCC)cc2cc(Cl)ccc21 585152422 CEQCHEOEFVINSM-UHFFFAOYSA-N 309.749 3.035 0 40 DGAB Cc1ccc2nc(N3CCC(C(=O)NC4CC4)CC3)sc2c1 90507705 CWILRINEOBUUIL-UHFFFAOYSA-N 315.442 3.100 0 40 DGAB COC(=O)CCCCC(=O)c1ccc(Br)s1 382741002 ZOIJXCCQBGRYQN-UHFFFAOYSA-N 305.193 3.427 0 40 DGAB O=S(=O)(Cc1ccccc1)Cc1cc(Cl)c2c(c1)OCO2 44640736 FSPHGQWYURJRFA-UHFFFAOYSA-N 324.785 3.184 0 40 DGAB COCC(=O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 685936240 MIYHHMGTBLGIRG-UHFFFAOYSA-N 300.198 3.482 0 40 DGAB COc1ccccc1CN(Cc1cscn1)C[C@@H]1CCCO1 58518344 GCGCCCJQRCEEDC-INIZCTEOSA-N 318.442 3.333 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@H](c3ccn[nH]3)C1)CCCC2 72369519 IGAXKSKWUXFNEZ-ZDUSSCGKSA-N 313.401 3.210 0 40 DGAB COc1ccc([C@H]2CCCCN(C(=O)C3CCOCC3)C2)cc1 208004251 SCGFDKVZJXUANW-KRWDZBQOSA-N 317.429 3.218 0 40 DGAB FC(F)(F)c1cccnc1N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1889074440 NMCPGORYMJXRGP-TXEJJXNPSA-N 311.351 3.021 0 40 DGAB Cc1cccc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)n1 27654905 SHEFUSSAEKEALD-INIZCTEOSA-N 312.369 3.200 0 40 DGAB COc1cc(OC)cc(C(=O)NCc2ccc3[nH]c(C)cc3c2)c1 4138027 DFEKQUATSTVVBV-UHFFFAOYSA-N 324.380 3.424 0 40 DGAB O=C(CN1CCc2sccc2C1)N1CCCc2ccccc21 10093800 LRGNKGQVKXWRAK-UHFFFAOYSA-N 312.438 3.086 0 40 DGAB Fc1ccc2nc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)sc2c1 2070376946 XGBRYAXUNHNIKJ-RYUDHWBXSA-N 317.433 3.356 0 40 DGAB CCOc1ccc(-n2ccnc(NCc3ccccc3)c2=O)cc1 10273176 IXGRMCRPNMXBEH-UHFFFAOYSA-N 321.380 3.243 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@H]1c1cccc(F)c1 25310086 OZXBJRZJHIXGOI-MRXNPFEDSA-N 300.333 3.039 0 40 DGAB COCCN(Cc1ccccc1)C(=O)c1cccc(N(C)C)c1 40160484 INTADLSLJDFLHA-UHFFFAOYSA-N 312.413 3.041 0 40 DGAB Cc1nc(CCNC(=O)c2cc(Cl)c(Cl)n2C)cs1 40511967 WBQWZQGQVKEPLE-UHFFFAOYSA-N 318.229 3.069 0 40 DGAB Cc1ccc(C(=O)NCc2csc(Br)c2)cn1 32581466 ULEYRSXUMKKVCJ-UHFFFAOYSA-N 311.204 3.144 0 40 DGAB Cc1ccc(-n2nnnc2-c2c[nH]c3c(F)cc(F)cc23)cc1 340680 DMQIZAUSTNXGIT-UHFFFAOYSA-N 311.295 3.397 0 40 DGAB Cc1cc(NS(=O)(=O)c2ccccc2C(F)(F)F)ccn1 75610749 MGOORGOAOBGSSY-UHFFFAOYSA-N 316.304 3.210 0 40 DGAB O=c1nc2n(c3sc4c(c13)CCCC4)Cc1ccccc1C2 405652 CCURBFMIWJXEJO-UHFFFAOYSA-N 308.406 3.289 0 40 DGAB Cc1c(C(=O)Nc2ccc(Cl)cc2)nnn1-c1ccccc1 2692499 WPLIKLKPCKTXBU-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB O=C(Nc1cccc(F)c1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 1377516 PLCNUINTSSQPHW-IRXDYDNUSA-N 317.408 3.495 0 40 DGAB Cc1nn(CCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Cl 101616195 MZLJWZPEGTVBHN-CJYSPXJISA-N 323.868 3.484 0 40 DGAB COCCCC(=O)O[C@H]1C[C@H](OCc2ccccc2)C1(C)C 95467948 DFYNYPJOFNIQJK-HOTGVXAUSA-N 306.402 3.340 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccc(F)cc1 517820 DHEQCICHCBTZLR-SGWGQVFISA-N 322.383 3.463 0 40 DGAB biogenic COc1c(C)cccc1C(=O)NC(=S)Nc1cccc(C)c1 9064052 XYSFFVWSZICQDK-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccccc1Cl 22705953 UCRNIPTUPIJPMU-HNNXBMFYSA-N 314.772 3.003 0 40 DGAB COc1cc(C(=O)NCCC[C@H]2CCC[C@H]2O)ccc1Cl 97022238 NVZZJTCASQNVEV-BXUZGUMPSA-N 311.809 3.020 0 40 DGAB COc1ccc(NCC(=O)NCCc2cccs2)cc1Cl 24218369 LXDSSSJDHPHCLQ-UHFFFAOYSA-N 324.833 3.181 0 40 DGAB COC(=O)c1cc(NCc2nc(C(C)C)no2)ccc1Cl 55833958 YMBROSQXXMOAGG-UHFFFAOYSA-N 309.753 3.245 0 40 DGAB COc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)c(F)c1 25443576 JUAPUJCZSHIOEZ-UHFFFAOYSA-N 322.424 3.219 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)N[C@@H]1c2ccccc2C[C@@H]1O 57003453 MNYKUWNCOIRADU-GBESFXJTSA-N 322.408 3.022 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2cccc(OC)c2)cc1 1987264 GCRUAJAPRANWPZ-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB Cc1c(C(=O)N(Cc2ccc([C@H]3C[C@H]3C)o2)C2CC2)cnn1C 27280587 NUDZSFDXYOBTCO-ABAIWWIYSA-N 313.401 3.250 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1Cl 100184406 USXBFTZCSXJFOE-NZBPQXDJSA-N 313.784 3.350 0 40 DGAB Cc1ncsc1C(=O)OC1CCN(Cc2ccsc2)CC1 76090946 VCPVFJAMVORDMX-UHFFFAOYSA-N 322.455 3.334 0 40 DGAB NC(=O)c1ccc(CN(C2CC2)[C@H]2CCc3ccccc32)cc1 58355077 MXFDOLAQIHUZCT-IBGZPJMESA-N 306.409 3.437 0 40 DGAB COc1cccc(CS[C@H](C)C(=O)Nc2cc(C)no2)c1 58378290 YHXXSDWKMJVOBN-LLVKDONJSA-N 306.387 3.252 0 40 DGAB Cc1cc(-c2csc(NC(=O)c3cnn(C)c3)n2)c(C)s1 10520987 FKLJXFSJASGPNE-UHFFFAOYSA-N 318.427 3.474 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc(Br)c[nH]1 12776265 AYHGIVVXRZZQNL-UHFFFAOYSA-N 323.234 3.476 0 40 DGAB COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)cc1OC 12741339 HZILNCAMNVBHAC-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB COc1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 12760804 ZPJMAICABXZTQP-ZDUSSCGKSA-N 318.442 3.066 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)s1 11181403 HWSXQTSOKQXWEB-LBPRGKRZSA-N 319.407 3.190 0 40 DGAB Cc1cccc(CNC(=O)NCCCCN2CCC[C@@H](C)C2)c1 45701225 XIXUQQDARTVRCP-QGZVFWFLSA-N 317.477 3.306 0 40 DGAB Cc1noc(-c2cccnc2NC[C@H]2CCO[C@H]2C(C)(C)C)n1 78266565 QTFWODSTEFCYPV-TZMCWYRMSA-N 316.405 3.303 0 40 DGAB COc1ccccc1OCC(=O)c1[nH]c(C)c(C(C)=O)c1C 4195260 FJAIZBMFLWKECJ-UHFFFAOYSA-N 301.342 3.104 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)Cn2cc(Cl)cn2)c1 64579859 ZKQOBAZNLFDPLR-HNNXBMFYSA-N 303.793 3.209 0 40 DGAB CC(C)c1nccn1S(=O)(=O)c1cccc2ccccc12 9061882 BRMLDHYFQWGCKR-UHFFFAOYSA-N 300.383 3.397 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)OCCO2 39972084 NFEFTETWCXOASF-VIFPVBQESA-N 307.733 3.195 0 40 DGAB C[C@@H](NC(=O)Nc1ccn(C)n1)c1ccc(-c2cccnc2)cc1 84651642 NLQIRTHRWJTWAB-CYBMUJFWSA-N 321.384 3.365 0 40 DGAB Cc1[nH]c(C(=O)N2CCCCCC2)c(C)c1C(=O)OC(C)C 14138004 OAKXEKIOBQPQRI-UHFFFAOYSA-N 306.406 3.213 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2ccc(C)cc2)cc1 5451882 BUIDHJBMOKXIQL-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB N=C1NC(=O)/C(=C/C(Br)=C/c2ccccc2)S1 4791784 MWBYVSFDARKZLD-LFPVQMOXSA-N 309.188 3.104 0 40 DGAB COc1ccc(OC)c2c1cc(C(=O)O)n2Cc1ccccc1 67799274 FFOWNPDMZIJKNK-UHFFFAOYSA-N 311.337 3.405 0 40 DGAB O=C(/C=C/c1ccccc1F)N1CCN(c2ccccc2)CC1 6923325 FBQYHNIVWBZNNH-ZHACJKMWSA-N 310.372 3.188 0 40 DGAB Cc1ccc(N2CCN(C(=O)c3ccc(C)s3)CC2)cc1 72331325 MHAMXZYYKPKMJS-UHFFFAOYSA-N 300.427 3.327 0 40 DGAB CN(CC(=O)NCc1cccs1)[C@H]1CCCc2ccccc21 16342746 IVBZBIHKESBPQK-KRWDZBQOSA-N 314.454 3.374 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2cccc(-n3cccc3)c2)cn1 71796950 QZOWZIVGXTZKPT-GOSISDBHSA-N 320.396 3.188 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc3nncn3c2)[C@@H]1c1cccc(F)c1 84697772 NJWCORGVTGCKNK-PXAZEXFGSA-N 324.359 3.092 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@H](n2cccn2)C1 69490175 JWBINBNBAXNOSV-INIZCTEOSA-N 322.368 3.015 0 40 DGAB O=C(COc1cccc2cccnc12)NCCc1cccs1 69419549 SMSNRPJNPKLZFJ-UHFFFAOYSA-N 312.394 3.034 0 40 DGAB C[C@H](NC(=O)N[C@H](C)Cc1ccccc1F)c1nccs1 71879779 WXHSRLTWZJGFTO-MNOVXSKESA-N 307.394 3.274 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@H](CN2CCCCCC2)C1 69742153 HQQZVJKPPLOKPG-MSOLQXFVSA-N 304.478 3.457 0 40 DGAB CCc1ncc2c(n1)CN(c1ccnc(-c3ccccc3)n1)CC2 69877063 ZHDFEFAKGBKHMA-UHFFFAOYSA-N 317.396 3.059 0 40 DGAB CCn1cc([C@H]2OCC[C@H]2CNCc2ccc(C)s2)cn1 83843512 CTJVURCZVWOREV-BBRMVZONSA-N 305.447 3.140 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)N1CCC(N2CCCCC2)CC1 95454496 VBBKBZIOLKUXSJ-HOTGVXAUSA-N 307.482 3.320 0 40 DGAB C[C@@H](NC(=O)c1cc2cc(F)ccc2s1)C1=CCN(C)CC1 95469068 GDRDVDRGKQSCFU-LLVKDONJSA-N 318.417 3.421 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(O)cc2)C1 84811819 XXTMEYOMNAYPBV-HIFRSBDPSA-N 308.447 3.208 0 40 DGAB Cc1sc2ccccc2c1S(=O)(=O)NCc1ccccn1 84935628 IPCFGRRIALYRPL-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB O=C(COC[C@H]1CCCO1)Nc1ccccc1SC(F)F 78680425 YRBOBBKEPSSNDY-SNVBAGLBSA-N 317.357 3.135 0 40 DGAB O=C(OCc1ccc2[nH]nnc2c1)C1(c2ccccc2)CCC1 95960076 OJWUOYITBSSGNM-UHFFFAOYSA-N 307.353 3.123 0 40 DGAB Cc1nc(CCNC(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)c(C)o1 89547986 NFVUUGUMBHFSEA-CABCVRRESA-N 318.804 3.407 0 40 DGAB Cc1noc(C)c1Cc1nc([C@@H]2CCOc3ccccc32)no1 546395161 XOXOEYIQFBYEDR-CYBMUJFWSA-N 311.341 3.180 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NCCCOC(C)C)cc1 30754148 KEIZWJVUFRCJRS-CYBMUJFWSA-N 311.447 3.107 0 40 DGAB COc1cccc(NC(=O)NCCSCc2ccco2)c1 4364724 PNZCODUKMGHIHJ-UHFFFAOYSA-N 306.387 3.343 0 40 DGAB CC1(C)CCCC[C@H]1NC(=O)c1ccnc(NC(=O)C2CC2)c1 552073175 SXNUDBCTVOBLGO-CQSZACIVSA-N 315.417 3.129 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1cccs1 71195631 LSYVOIKVPDXCRF-CYBMUJFWSA-N 324.409 3.136 0 40 DGAB Cn1nnc2c(Nc3ccc(Nc4ccccc4)cc3)ncnc21 5250382 JBOANUVVZZAYTI-UHFFFAOYSA-N 317.356 3.246 0 40 DGAB O=C(NCCCn1ncc2c(Cl)cccc21)c1ccco1 71196084 GREWXTQBEDBCOE-UHFFFAOYSA-N 303.749 3.103 0 40 DGAB CCCCn1nnc(NCc2c(Cl)cccc2Cl)n1 32617091 NKSUYSHLABZNTD-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB COc1ccc(CNC(=O)c2ccccc2Cl)c(OC)c1 72331436 NCVNGCOGEXPJLR-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1ccc(NC(=O)c2nn(C)c(C)c2Br)c(C)c1 32647576 WENFCIFKOWLGBP-UHFFFAOYSA-N 322.206 3.360 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2Cl)cc1C 72227860 JMLHMHCCTOVAAU-HZPDHXFCSA-N 300.789 3.372 0 40 DGAB CCc1cc(CNC(=O)N[C@@H](CC)c2cc(F)ccc2F)[nH]n1 77582703 LFQVYEUEQQXQMT-HNNXBMFYSA-N 322.359 3.201 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)Nc1cccs1 225604016 CTUFMENOGBZKQZ-NSHDSACASA-N 302.399 3.436 0 40 DGAB Cc1cccc(NC(=O)NC2CCN(Cc3ccccn3)CC2)c1 45756827 NPEXSIMVOZZSRJ-UHFFFAOYSA-N 324.428 3.176 0 40 DGAB Cc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C 225599684 VNQDJAKVXSVFBC-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)C1 48303127 JGYJECHCDULUBN-IUVQAAGXSA-N 314.473 3.437 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 82182396 QMQGMWPJTZZKGJ-YESZJQIVSA-N 316.445 3.422 0 40 DGAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 192943800 QKMRDUFFNBHBPC-NXEZZACHSA-N 314.332 3.333 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)NC(C)C 222654189 AGRGJWWBDIMFMI-INIZCTEOSA-N 322.424 3.258 0 40 DGAB CCCCNC(=S)Nc1cc(C(=O)OC)ccc1Cl 225373999 HYCDRNQXOHGACQ-UHFFFAOYSA-N 300.811 3.213 0 40 DGAB CNC(=O)c1cc(N)ccc1Nc1ccc(OC)c(Cl)c1 225482901 WEOQEBCKEHZVNN-UHFFFAOYSA-N 305.765 3.034 0 40 DGAB Cc1ccc(CN2CC3(CCN(Cc4ccsc4)C3)C2)o1 96046484 NPMYLRIPXJQNKR-UHFFFAOYSA-N 302.443 3.357 0 40 DGAB CCSc1cccc(NC(=O)NC[C@@](C)(O)c2ccco2)c1 95403949 QXEDPJIWLXPHFA-MRXNPFEDSA-N 320.414 3.421 0 40 DGAB CCOc1ccc2oc(C)c(C(=O)NCc3cccnc3)c2c1 22699062 QSQRQVMENMUQQT-UHFFFAOYSA-N 310.353 3.465 0 40 DGAB biogenic COc1ccc(C[C@H]2CN(Cc3ccco3)CC[C@@H]2OC)cc1 96110545 ZPOMTPPZFHFOCM-LPHOPBHVSA-N 315.413 3.368 0 40 DGAB Cc1nnc([C@H](C)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)o1 96424961 OKJQEPLDQGQYHN-LURJTMIESA-N 323.328 3.295 0 40 DGAB OCC1CCN(c2ccc(NC/C=C/c3ccco3)nc2)CC1 95447402 FYKRTUNLNTVIOS-HNQUOIGGSA-N 313.401 3.009 0 40 DGAB COC(=O)NCc1ccc(NCCOc2ccccc2F)cc1 96409559 YKZPGHJDWSBWMK-UHFFFAOYSA-N 318.348 3.173 0 40 DGAB CCN(C)C(=O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154725 ZPSPNLWUXYESSU-UHFFFAOYSA-N 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FVOZDCKLJAWSOH-AMIZOPFISA-N 312.200 3.324 0 40 DGAB Fc1ccc(CN[C@@H](Cn2cncn2)c2ccccc2)cc1F 72242446 GYDGPNFRUFLWSM-KRWDZBQOSA-N 314.339 3.087 0 40 DGAB CC(C)n1cc(NC(=O)N[C@H](C)[C@H]2COc3ccccc32)cn1 96484504 ZRUJSGLFQQCVEK-IUODEOHRSA-N 314.389 3.150 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)OCCc2cccnc2)cc1 78948195 WQUPJPYNRFGPIZ-UHFFFAOYSA-N 308.337 3.445 0 40 DGAB Cc1cnccc1NC(=O)[C@H]1CCCCN1C(=O)OC(C)(C)C 71885862 DYYICCSDACGROY-CQSZACIVSA-N 319.405 3.118 0 40 DGAB CS(=O)(=O)CCN1CCC[C@@H]1c1cccc2ccccc12 71824913 JRZCZOGNJRLLJB-QGZVFWFLSA-N 303.427 3.021 0 40 DGAB CCOc1ccccc1[C@H]1SCC(=O)N1c1nccs1 19927215 WCQOXSPOHFOUKU-CYBMUJFWSA-N 306.412 3.320 0 40 DGAB O=C1C(=O)N(Cc2ccccc2)c2cc(Br)ccc21 19967155 YGLYTXQMVGIKBW-UHFFFAOYSA-N 316.154 3.179 0 40 DGAB CCCn1cc(NC(=O)Nc2ccccc2COCC)cn1 72306979 SAEMQGUEQZPXRN-UHFFFAOYSA-N 302.378 3.474 0 40 DGAB N[C@@H]1CC[C@H](C(=O)Nc2ccccc2OCc2ccccc2)C1 72407473 NGOJQPWLTFPHFY-JKSUJKDBSA-N 310.397 3.332 0 40 DGAB CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@@H](C)C1)N1CCCCC1=O 79069207 KBWXWNWCMJXFMJ-BZUAXINKSA-N 308.466 3.109 0 40 DGAB CN(Cc1ccncc1)[C@H](c1ccc(F)cc1)c1ncccn1 95431943 IAFHYOBNVHAXHP-QGZVFWFLSA-N 308.360 3.232 0 40 DGAB CC(C)c1noc(N[C@@H](C)c2noc(Cc3ccccc3)n2)n1 95427774 KVWMAIBKKKDTOX-NSHDSACASA-N 313.361 3.340 0 40 DGAB C[C@@H](NCc1ccccc1-n1ccnc1)c1ccc2c(c1)OCO2 95420796 HOZNOCXIEKQDQS-CQSZACIVSA-N 321.380 3.452 0 40 DGAB CCC1(NC(=O)Nc2ccc(OC)cc2Cl)CCOCC1 95460915 SKVUIRKITLJOGF-UHFFFAOYSA-N 312.797 3.429 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)[C@H]1CCOC1 95987051 HQWORYUJAYABAP-AWEZNQCLSA-N 307.353 3.001 0 40 DGAB CCOC(=O)[C@H](C)CNC(=O)Nc1ccc(C(F)(F)F)cc1 75105152 IWJZCTIOQYGBCV-SECBINFHSA-N 318.295 3.026 0 40 DGAB CC[C@H](Sc1ncc(CO)n1C)C(=O)c1ccc(Cl)cc1 89941918 MOBKPSXWSCLUNV-ZDUSSCGKSA-N 324.833 3.319 0 40 DGAB CCCCc1ccc(NC(=O)N(C)C2CCS(=O)CC2)cc1 89954856 UTPVNPNRAPPYLL-UHFFFAOYSA-N 322.474 3.404 0 40 DGAB Cc1ccc(-c2noc(CCCC(=O)Nc3cccnc3)n2)cc1 37866289 IMKONHIKQRVTAS-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1C 408674519 ZYGFPUZIEQPKKB-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB Cc1nc2c(n1C(C)C)CN(C)CC21CCN(CC(C)C)CC1 306123650 ASZXAMVEWWXQKI-UHFFFAOYSA-N 318.509 3.207 0 40 DGAB CO[C@@H](C(=O)N1CCC[C@@H]1c1nc(C)c(C)[nH]1)c1ccccc1 1558351759 MWYUJCCSTSDUII-HZPDHXFCSA-N 313.401 3.078 0 40 DGAB Cc1cccc(C)c1NC(=O)c1cnn(-c2ccccn2)c1C 31875050 VLSYDKZXTNJKPY-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1c(CNC(=O)CCOCC(F)(F)F)oc2ccccc12 79357989 HNZOGIDBEHQEAO-UHFFFAOYSA-N 315.291 3.326 0 40 DGAB Cc1cccc2nc(CNc3nccc4c3C(=O)OC4(C)C)cn12 79002610 OGZFQJSIFUOTCK-UHFFFAOYSA-N 322.368 3.055 0 40 DGAB COc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1C 30322500 BDDZIYPDVYWLQI-AWEZNQCLSA-N 319.426 3.086 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 72227495 SHUHHFLSHVCXGV-KBPBESRZSA-N 306.287 3.121 0 40 DGAB Nn1c(SCc2ccc(F)cc2Cl)nnc1C(F)F 216902628 AZMZUURIISIACV-UHFFFAOYSA-N 308.716 3.014 0 40 DGAB CC[C@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1c1ccccc1 74283223 POCYRRCFZBVDHY-WMZOPIPTSA-N 311.429 3.316 0 40 DGAB Cc1cccc(OCC(=O)NCCOc2cccc(C)c2C)c1 41156776 CZMZMWKRDCWVMK-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1cc(SCC(=O)O)nc(COc2ccccc2Cl)n1 49468937 WBCSJIIZDKMDSY-UHFFFAOYSA-N 324.789 3.194 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1 40024229 ZXUHWKXZWKTRDZ-NSHDSACASA-N 305.374 3.415 0 40 DGAB O=C(CCC1CCCCC1)NCc1ccnc(N2CCCC2)n1 224196522 QRNWODJJWOWZBL-UHFFFAOYSA-N 316.449 3.054 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ncccc1C 225584808 VEGZQYUULOPQHU-HNNXBMFYSA-N 320.506 3.331 0 40 DGAB COC(=O)c1cccc(NC(=S)NCc2ccccc2F)c1 225835800 XAPIWCBCWDDNNT-UHFFFAOYSA-N 318.373 3.099 0 40 DGAB O=C(NCc1ccccc1)c1ccc(Nc2ncccn2)cc1 95480186 KMPDBYVXZQTIAE-UHFFFAOYSA-N 304.353 3.150 0 40 DGAB CC[C@H](NC(=O)Nc1cccc(Cl)c1OC)c1noc(C)n1 96445914 IRGJEBVKXSXUDA-JTQLQIEISA-N 324.768 3.313 0 40 DGAB CCOc1ncccc1NC(=O)NCc1ncc(C(C)(C)C)o1 96445895 VRZYIXKETDZHCM-UHFFFAOYSA-N 318.377 3.088 0 40 DGAB CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@H](C)CSC)s1 96440473 GWQKTIWJSMLXDO-MWLCHTKSSA-N 315.508 3.468 0 40 DGAB CCC(=O)c1ccc(OC[C@H](O)CN2[C@H](C)CCC[C@H]2C)cc1 245242008 WKLGIIULCGMLEB-BFYDXBDKSA-N 319.445 3.282 0 40 DGAB CN(C(=O)C1(Cc2ccccc2F)CCOCC1)C1CCC1 257333657 YCMLJZQUBSHAEO-UHFFFAOYSA-N 305.393 3.176 0 40 DGAB Cc1ccc(C[C@H]2CCCN(C(=O)Cc3ccsc3)C2)cn1 257341973 ZMPJCVAFQRJCMN-MRXNPFEDSA-N 314.454 3.475 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 260901786 NZXPBGFQXNBDBW-ZBFHGGJFSA-N 306.425 3.198 0 40 DGAB C[C@@H](C(=O)O)C(=O)N1CCCC[C@H]1CCCc1ccccc1 263552966 MGHRNMMHZFNMRD-ZBFHGGJFSA-N 303.402 3.111 0 40 DGAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccco3)cc2)C1 96122412 ATDRJHQMLSZENQ-OAHLLOKOSA-N 300.358 3.147 0 40 DGAB O=c1ccc(C2CC2)nn1CC1CCN(Cc2ccccc2)CC1 585503518 CESHJEZMDKJEBN-UHFFFAOYSA-N 323.440 3.033 0 40 DGAB Cc1ncc(CN2CC[C@@]23CCCN(C(=O)C(C)(C)C)C3)s1 585101773 FMFKMGHZCDSIJY-QGZVFWFLSA-N 321.490 3.065 0 40 DGAB CCOC(=O)N1CCC(c2nnc(-c3ccco3)s2)CC1 49363101 QNAOJJUCZHVYIV-UHFFFAOYSA-N 307.375 3.134 0 40 DGAB CC[C@@]1(C)CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1 81322214 RHMANBKHVJVUID-INIZCTEOSA-N 308.447 3.037 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H](C(=O)c2cccs2)C1 12185349 IZHKCENCKBQBCY-NSHDSACASA-N 320.439 3.248 0 40 DGAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCN2CCCCCC2)c1 13710900 FQAXTQWXVFEILA-KRWDZBQOSA-N 318.461 3.063 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2ccc(Cl)cc2)cc1C 13937913 QZAPJIOJVIUVNW-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB Cn1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)c2cccnc21 19289492 PMXFPJSMHSGDCN-OAHLLOKOSA-N 324.403 3.487 0 40 DGAB O[C@@]1(c2cccnc2)CCCN(Cc2ccccc2F)CC1 19349049 YBXMJCNAVGIPOM-SFHVURJKSA-N 300.377 3.094 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)c3cccs3)cc2)cn1 1889201425 BMIYOQFVHBNOML-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB CC(C)=CCN1CCC(Cn2cnc3ccccc3c2=O)CC1 1776008015 STJUDRDSBZNHQL-UHFFFAOYSA-N 311.429 3.075 0 40 DGAB COc1cc(C(F)(F)F)ccc1C(=O)NCCc1ccco1 4751765 NWQSLLVFNPRGCH-UHFFFAOYSA-N 313.275 3.280 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1ccccc1 5154047 VBZGCSVYIQTXFH-UHFFFAOYSA-N 306.365 3.164 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 208002062 HQBHCQABBJUCNA-HNNXBMFYSA-N 321.392 3.264 0 40 DGAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)cc1 35678 WLJRTUWMOKECEF-UHFFFAOYSA-N 314.410 3.287 0 40 DGAB Clc1cccc(Oc2ncc(CN3CCOCC3)s2)c1 20219027 XIIPFTFZMIYQTP-UHFFFAOYSA-N 310.806 3.421 0 40 DGAB C[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1cccs1 40523415 VCKICGILYLFVEG-NSHDSACASA-N 316.382 3.196 0 40 DGAB Cc1ccc([C@H](C)NC(=O)CCc2nc(C(C)(C)C)no2)o1 40519984 FGPSNPOEPCAXQQ-NSHDSACASA-N 305.378 3.079 0 40 DGAB C[C@@H](CC(=O)Nc1cc(F)cc(F)c1)NC(=O)c1ccccc1 16305615 LLDJIYBXLRSVBE-NSHDSACASA-N 318.323 3.112 0 40 DGAB O[C@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCCC2 425749 NCMSWOIXDAJWOR-SFHVURJKSA-N 313.446 3.398 0 40 DGAB OCCCCCSc1ncnc2c1cnn2-c1ccccc1 60330879 LICHWXGXQONEOY-UHFFFAOYSA-N 314.414 3.070 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N1CC[C@@H]2CCCC[C@@H]2C1 7985343 WAXBPJICBKWXDE-JKSUJKDBSA-N 315.413 3.039 0 40 DGAB CCCn1cnc2c(SCc3ccccc3F)nc(N)nc21 1681633 DVLHLRRKTZVSGY-UHFFFAOYSA-N 317.393 3.250 0 40 DGAB COc1ccccc1CCNC(=O)COc1ccc(Cl)cc1 2774543 HGHHGZRRGFHGLX-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CC(C)c1nc(CC(=O)Nc2nnc(C3CC3)s2)cs1 32924085 PKCKINRRQJXAHJ-UHFFFAOYSA-N 308.432 3.177 0 40 DGAB COCc1noc([C@H](C)Sc2ncnc3ccsc23)n1 97085458 RVAYLAMANQDPKH-ZETCQYMHSA-N 308.388 3.074 0 40 DGAB O=C(c1cnn(-c2ccccc2)c1)N1CCc2sccc2C1 12216263 AOAWHWCVQGUQGA-UHFFFAOYSA-N 309.394 3.132 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1 21895381 YPMISJHJAKZOOG-STQMWFEESA-N 300.402 3.153 0 40 DGAB Nn1c(SCc2ccc(Cl)cc2Cl)nnc1C1CC1 8011125 CLJIHIVYNBQXJY-UHFFFAOYSA-N 315.229 3.468 0 40 DGAB Cc1cccn2c(=O)c(C=O)c(Oc3ccccc3Cl)nc12 572241 UBOYXJKVAGXHBB-UHFFFAOYSA-N 314.728 3.261 0 40 DGAB COc1ccccc1C(=O)NCc1ccccc1-n1ccnc1C 20108100 PFGNBZOWZLJXAM-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB CNS(=O)(=O)c1cccc([C@H](C)Nc2ccc(C)cc2)c1 97037040 FJUMAUCNXBGDQC-ZDUSSCGKSA-N 304.415 3.076 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)Nc1nc(C)c(C)s1 20296774 AMMQOFDQYBZMOU-SNVBAGLBSA-N 305.403 3.208 0 40 DGAB Cc1cccc(C(=O)Nc2ccccc2CN2CCNC2=O)c1C 97046472 CSRIJJYTLOKCPH-UHFFFAOYSA-N 323.396 3.081 0 40 DGAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@@H]2CC[C@@H]1COC2 101328525 NUOMDSVNHKCFJG-HZPDHXFCSA-N 309.365 3.482 0 40 DGAB Cc1cccc(Cl)c1NC(=O)N[C@@H]1CCc2[nH]ncc2C1 97095230 IIHFVZGCOSOBSW-LLVKDONJSA-N 304.781 3.051 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cncn2)cc1 25381858 FEFIZSLQYWISGC-LBPRGKRZSA-N 324.409 3.088 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2Cl)c(O)c1 3295487 OKSZCZYGLKJOOZ-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB CCOc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1OC 12633907 JRFUQJYKFNOKQB-UHFFFAOYSA-N 314.385 3.412 0 40 DGAB CN(Cc1ccccc1)Cn1nnc(-c2ccc(Cl)cc2)n1 12695743 HSGOMMOWUDRFJA-UHFFFAOYSA-N 313.792 3.083 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@H](C)CC(=O)c2cccs2)CCO1 108494588 URPCWFSCNJXSNI-FRRDWIJNSA-N 309.431 3.031 0 40 DGAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2ccccc12 58143655 RZHPZXYXWGGOTH-UHFFFAOYSA-N 317.392 3.212 0 40 DGAB O=C(NC1CC1)[C@H](N[C@H]1CCc2c(F)cccc21)c1ccccc1 58282237 FHVVFNRERIAIHH-RBUKOAKNSA-N 324.399 3.423 0 40 DGAB Cc1cc(C)c2c(n1)nn1c(-n3nc(C)cc3C)cc(C)nc21 2199705 XMQOJRRPUUPZME-UHFFFAOYSA-N 306.373 3.005 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 3306203 LBXIJQOKZRDJRK-STQMWFEESA-N 320.458 3.242 0 40 DGAB CCCCc1nnc(NC(=O)[C@]2(C)CC2(Cl)Cl)s1 28640962 FWFNYMYMJRJQAX-JTQLQIEISA-N 308.234 3.403 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)c1cc2ccccc2o1 29181620 FFHCCDKSZNYSGM-UHFFFAOYSA-N 305.284 3.297 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCCc2cccs2)n1 48333752 RIVSGEJJLYQODC-CYBMUJFWSA-N 319.474 3.337 0 40 DGAB O[C@@H](COc1ccc2ccccc2c1)CSc1nncs1 11676326 NASIUIITHXKRLL-ZDUSSCGKSA-N 318.423 3.223 0 40 DGAB Cc1cccc(-c2nnc(SCC(=O)C(C)(C)C)n2C)c1 3400522 IZJFTULUUDHAIX-UHFFFAOYSA-N 303.431 3.498 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCC1(N(C)C)CCCCC1 3413630 ILQUGGXGPNMMIM-UHFFFAOYSA-N 324.852 3.343 0 40 DGAB C[C@@H](C1CC1)N(C)C(=O)c1nn(-c2ccccc2)c2c1CCC2 12977900 VLYDSRGLOPZZMX-ZDUSSCGKSA-N 309.413 3.232 0 40 DGAB CC/C=C(\C)C(=O)NCc1ccc(C(=O)N[C@H](C)CC)cc1 48913822 IMYJAKHWFYMKGN-WTWVRAIASA-N 302.418 3.187 0 40 DGAB Cn1ccnc1CCNC(=O)/C=C/c1cccc(Cl)c1Cl 63487803 BRUKPQSRQLALRR-AATRIKPKSA-N 324.211 3.099 0 40 DGAB Cc1ccc(C)c([C@H](C)NCC(=O)N(C)Cc2ccco2)c1 49600815 GEEYVTOVODOQAC-HNNXBMFYSA-N 300.402 3.206 0 40 DGAB Cc1noc(C)c1CCNC(=O)N[C@H](C)[C@H](C)c1ccccc1 78987926 RBLUFUHBBUTTQH-QWHCGFSZSA-N 315.417 3.325 0 40 DGAB O=C1COc2cccc(OCc3cccc(F)c3Cl)c2N1 91597253 WIRPWJUKRZVRPW-UHFFFAOYSA-N 307.708 3.389 0 40 DGAB CCCNC(=O)N(CC)Cc1nc(-c2ccc(Cl)cc2)no1 5450925 USEOHKKUJXLUKA-UHFFFAOYSA-N 322.796 3.332 0 40 DGAB COc1ccc(O)c(-c2n[nH]cc2C(=O)c2ccccc2C)c1 6690984 AFXYRJMZSYYNNH-UHFFFAOYSA-N 308.337 3.330 0 40 DGAB C(=C/c1nn2c(-c3ccncc3)nnc2s1)\c1cccs1 6668086 VQTQRNPMYUEMQQ-ONEGZZNKSA-N 311.395 3.480 0 40 DGAB CC(=O)COc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1 5824887 GBRRUFNAZVDPIU-UHFFFAOYSA-N 310.305 3.133 0 40 DGAB biogenic COCC[C@H](NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 90407662 WSRFCINVYBQBLC-KRWDZBQOSA-N 324.852 3.018 0 40 DGAB COc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cn1 7736007 LBTYQBLRKHLRLI-UHFFFAOYSA-N 312.247 3.241 0 40 DGAB O=C(C[C@H]1CCCO1)NCCCO[C@H]1CCCc2ccccc21 70874894 CLFPMDCAWXDJTL-AEFFLSMTSA-N 317.429 3.156 0 40 DGAB O=C(CSCc1ccccc1Cl)NCc1ccncc1 20238014 PBANMVYVSUCHHL-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)c1 71185422 CVMVZTRKTXXGBN-SFHVURJKSA-N 309.413 3.158 0 40 DGAB CCCn1nnnc1CN1CCCSc2ccc(Cl)cc21 79024427 NGXYQXDRJCRAEG-UHFFFAOYSA-N 323.853 3.239 0 40 DGAB CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[C@H](O)C1 96435206 PIJSPMWKSKCBCZ-JTQLQIEISA-N 314.838 3.439 0 40 DGAB O=C(NCCCCOC1CCCCCC1)N[C@H]1C[C@H]2CC[C@H]1O2 110681376 CNAMRHBRJZXYMJ-IXDOHACOSA-N 324.465 3.125 0 40 DGAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@H]1c1ccc[nH]1 71818717 SQFQIJZILJUMSU-GOEBONIOSA-N 316.788 3.335 0 40 DGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)c1cn2cccnc2n1 71896365 YPYBHBLEBHSKOI-CQSZACIVSA-N 320.396 3.170 0 40 DGAB O=C(NCc1nccs1)c1cccnc1SC(F)(F)F 84358177 WBGFXAHXRVCCMK-UHFFFAOYSA-N 319.333 3.080 0 40 DGAB CC[C@H](Nc1nc(C)nc2c1cnn2C)c1nc2ccccc2[nH]1 71904201 DRFMOPYVNFYNTL-LBPRGKRZSA-N 321.388 3.111 0 40 DGAB CCNC(=O)c1ccc(C)c(NCc2ccc(OCC)cn2)c1 79074877 MQVCXNYOAOBNPH-UHFFFAOYSA-N 313.401 3.151 0 40 DGAB Cc1noc(C)c1C(=O)NCCn1ccc2ccc(Cl)cc21 79486269 NGCNATUJCPCQAM-UHFFFAOYSA-N 317.776 3.330 0 40 DGAB O=C(OC1CCCCCCC1)[C@H]1CC(=O)N(C2CCCC2)C1 84544057 MKKWSBRQAPVFJP-AWEZNQCLSA-N 307.434 3.434 0 40 DGAB Cc1cnn(Cc2nnc(-c3ccccc3C(F)(F)F)o2)c1 95402989 QWYHVKBSTUHMLQ-UHFFFAOYSA-N 308.263 3.309 0 40 DGAB Cc1cc(C(=O)Nc2cccc3oc(C(F)(F)F)nc23)on1 95980678 MCLAZLYUENVUOW-UHFFFAOYSA-N 311.219 3.395 0 40 DGAB Cc1nc(-c2ccc(NC(=O)c3ccncc3)cc2Cl)n[nH]1 95987169 JUWJDKGWKSWRGD-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB O=C(Nc1cnn(-c2ccccn2)c1)N1CCC[C@@H]2CCC[C@H]21 86298676 PICMBAOMIRWSJZ-DZGCQCFKSA-N 311.389 3.064 0 40 DGAB COCc1csc(NC(=O)[C@H](C)OC2CCCCCC2)n1 89598236 LEQBVUCFTWABDC-NSHDSACASA-N 312.435 3.356 0 40 DGAB CC[C@@H](NC(=O)c1cccc2nccn12)c1ccc(OC)cc1 89947825 FFYFLOAISFZXSD-OAHLLOKOSA-N 309.369 3.224 0 40 DGAB CC[C@H](CC(=O)OCC(=O)Nc1ccccc1Cl)SC 89942965 LPXGZPAQMBUXDO-SNVBAGLBSA-N 315.822 3.353 0 40 DGAB C[C@H](NC(=O)c1c[nH]c2ccccc2c1=O)c1ccc(F)cc1 22605988 MMSGCMUDYCUOHX-NSHDSACASA-N 310.328 3.158 0 40 DGAB O=C(O)CSc1ccc(NC(=S)NC2CCCCC2)cc1 408548859 MHOBXLYPCZXCJV-UHFFFAOYSA-N 324.471 3.482 0 40 DGAB COc1cc(CCN[C@H]2CCO[C@H](C(F)(F)F)C2)ccc1C 554361743 HYRHTHWZIRQALS-ZFWWWQNUSA-N 317.351 3.246 0 40 DGAB CSC[C@@H](C)C(=O)NC[C@@H](O)c1c(Cl)cccc1Cl 77647617 XGXUTMXUAYPOAV-LDYMZIIASA-N 322.257 3.142 0 40 DGAB N[C@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227253 PAQYZYLXTHVVGF-KGLIPLIRSA-N 324.277 3.260 0 40 DGAB Cc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1C 77404919 IWIIIKTVMKELHB-IBGZPJMESA-N 306.413 3.426 0 40 DGAB Cn1nc(C(F)(F)F)cc1C(=O)N1CC2(CC2)c2ccccc21 556189144 HXEYWCOENXHHSO-UHFFFAOYSA-N 321.302 3.131 0 40 DGAB COCc1cccc(NC(=O)N2CCOC[C@@H]2CC(C)C)c1 77201575 QTLFSHPDKZEQQL-INIZCTEOSA-N 306.406 3.112 0 40 DGAB C[C@H](NC(=O)CCc1ccco1)c1ccc(-n2cccn2)cc1 75347765 YUFKXAGYBLAWRT-AWEZNQCLSA-N 309.369 3.275 0 40 DGAB CN[C@H]1CCCC[C@H]1N(C(=O)OCc1ccccc1)C1CC1 79437939 WFOLKPOXBYICIS-DLBZAZTESA-N 302.418 3.318 0 40 DGAB CC(=O)N1CCC[C@H]1c1cccnc1NC(=O)OC(C)(C)C 72214372 JRNZYSJELYNRTJ-ZDUSSCGKSA-N 305.378 3.112 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CNC(C)(C)c1ccc(Cl)cc1 79354151 IGQLNLQQNHPQRC-UHFFFAOYSA-N 320.824 3.143 0 40 DGAB Cc1nc(C(C)C)ncc1C(=O)NCc1ccc(Cl)cc1 222569065 BGXXQWIGHDVDHX-UHFFFAOYSA-N 303.793 3.492 0 40 DGAB CC[C@@]1(CO)CCCN(C(=O)C2CCc3ccccc3CC2)C1 529078539 JZYOKXJJOHOGNK-HXUWFJFHSA-N 315.457 3.193 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc(F)cc1 45477263 PGRHCBBJQQHXGN-CYBMUJFWSA-N 317.360 3.260 0 40 DGAB O=C(NCc1ccccn1)c1ccc2sc(Cl)nc2c1 225976791 BPZGIAFDIRBQMU-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB O=C(Nc1ccncc1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 89262711 UNKNYCBOWRWOMA-CABCVRRESA-N 317.776 3.387 0 40 DGAB O=C(O)CCc1cc(Br)cc(OC(F)(F)F)c1 96834642 FTNVEFZTUQQWFW-UHFFFAOYSA-N 313.069 3.365 0 40 DGAB Cc1nn(C)c(C)c1OCC(=O)Nc1sc(C)c(C)c1C 96462833 ZNIVIGYJXJBPCV-UHFFFAOYSA-N 307.419 3.041 0 40 DGAB c1cc2occc2c(N2CCC[C@H](c3nncn3C3CC3)C2)n1 91627745 CLDIOTJOYIPLJO-LBPRGKRZSA-N 309.373 3.138 0 40 DGAB Cn1nncc1CNc1ccc(Sc2cccs2)cn1 97094832 ZJRHBYSPQPZHKV-UHFFFAOYSA-N 303.416 3.035 0 40 DGAB C[C@H](NCc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCCO1 97374137 KPJRNWYNOMARPS-GWCFXTLKSA-N 307.781 3.047 0 40 DGAB c1cc(CN2CCCn3cnc(COCC4CC4)c3C2)cs1 96059016 MLPPREVSHIWZCT-UHFFFAOYSA-N 317.458 3.277 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C(=O)N(C)[C@@H]3c2ccccc2)o1 96100243 QRVOZRGYSFUXSM-GOSISDBHSA-N 324.424 3.384 0 40 DGAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccc(F)cc2)n1 96296213 VYOIZGYYBCMXLQ-HNNXBMFYSA-N 317.408 3.420 0 40 DGAB biogenic,in-vitro Cc1ccnc([C@@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)n1 257260952 LFEQMUCEQFOVGW-CYBMUJFWSA-N 324.359 3.035 0 40 DGAB Cc1cn2c([C@@H]3CCCN(C(=O)c4ccncc4)C3)cccc2n1 257221846 DQUDSJWPVHYPDN-MRXNPFEDSA-N 320.396 3.058 0 40 DGAB O=C1OC2(CCCCC2)CN1c1cccc([C@H]2CCCNC2)n1 257270695 MVHBHZMHUZYXLP-AWEZNQCLSA-N 315.417 3.208 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccnn3C(C)C)C2)s1 257296432 RCVJEOBFTPIFQA-CYBMUJFWSA-N 318.446 3.249 0 40 DGAB CC(C)n1nc(I)c2cnc(Cl)cc21 584907773 IRMQCMBHQZOCHU-UHFFFAOYSA-N 321.549 3.270 0 40 DGAB COc1ccc([C@H](C)[C@@H](C)NC(=O)CCc2ccncc2)cc1 584907246 UVPCSBQWOWQKMC-HUUCEWRRSA-N 312.413 3.331 0 40 DGAB Nc1c(Cl)c(F)cc(C(=O)N2CCCSCC2)c1Cl 585121356 NEBWDINXJPCKJW-UHFFFAOYSA-N 323.220 3.294 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Br)cc1Cl 169230023 FXAUMGSLRWIAOG-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB O=C1CCCC[C@@H]1N1CCN(c2ccc(Cl)cc2F)CC1 1772715118 DALHKQMYLDEIJR-HNNXBMFYSA-N 310.800 3.113 0 40 DGAB CN(C)S(=O)(=O)c1csc(SCc2ccccc2)c1 1772715201 VVVQEVNPSSPKFE-UHFFFAOYSA-N 313.469 3.291 0 40 DGAB CC(=O)N1CC[n+]2c(-c3ccc(Cl)cc3Cl)csc21 13110962 ZOVRVRPHVGPAED-UHFFFAOYSA-N 314.217 3.376 0 40 DGAB CCCCCC(=O)Nc1nc(C)c2c(n1)CC(C)(C)CC2=O 16637817 FTUMYZVJUOLPJL-UHFFFAOYSA-N 303.406 3.459 0 40 DGAB O=C(O)/C=C\c1cc(Br)sc1Br 17422918 DVXZZONDJLGLIN-UPHRSURJSA-N 311.982 3.371 0 40 DGAB CC(C)NC(=O)CCn1c(-c2ccncc2)cc2cccnc21 19449880 IIWJYAKUTRJKBE-UHFFFAOYSA-N 308.385 3.013 0 40 DGAB CCc1ccc(CC(=O)Nc2cc(C)nn2-c2ccccn2)cc1 154932178 AKQSMOLEMFGMSE-UHFFFAOYSA-N 320.396 3.319 0 40 DGAB COc1ccc(CN2CCC[C@@H](N)[C@@H]2c2ccccc2F)cc1 19555323 SZRWYSWDPANRDT-MOPGFXCFSA-N 314.404 3.499 0 40 DGAB COC(=O)c1cc(-c2cc(F)ccc2Br)on1 260192516 KQAZPWSECLFUNQ-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB O=C(CCN1CCCC1)Nc1ccc(OC(F)(F)Cl)cc1 269617 PJDAMQPPPXNOCS-UHFFFAOYSA-N 318.751 3.279 0 40 DGAB Cc1nc2c(ccc3nc(NC(=O)c4ccno4)sc32)s1 10253955 PJBFLJKWEUMNOV-UHFFFAOYSA-N 316.367 3.455 0 40 DGAB Cc1noc(C)c1CSCc1nc(N)c2ccccc2n1 73006514 XNTQDUIARMHEOX-UHFFFAOYSA-N 300.387 3.250 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)N(Cc1ccccc1)C1CC1 31086202 OZLUAOXNBZFVEV-VAWYXSNFSA-N 309.413 3.241 0 40 DGAB CCN(C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 352786 TTYWVWGFQQCIML-MSOLQXFVSA-N 301.386 3.161 0 40 DGAB CC(=O)c1cccc(NC(=O)CN(C)Cc2ccc(F)cc2)c1 8120405 SPRSXPUFJMQCJV-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(C)(C)C 32601762 KUMBDNUXULOMEX-UHFFFAOYSA-N 313.463 3.460 0 40 DGAB C[C@@](O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl 1388752 NTHVAGLKFSCQPI-MRXNPFEDSA-N 324.829 3.163 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@](C)(C(C)=O)[C@@H]1C(=O)O 1644681 HBOIWINCXVOSNS-PKOBYXMFSA-N 314.381 3.485 0 40 DGAB CCN(CC)C(=O)[C@@H]1CCCN(Cc2c[nH]c3ccccc23)C1 1664909 JURXGSRGDJSVBS-OAHLLOKOSA-N 313.445 3.248 0 40 DGAB COc1cc2c(cc1OC)CN(Cc1nc3ccccc3o1)CC2 32751352 XMLNBALEVGGASK-UHFFFAOYSA-N 324.380 3.403 0 40 DGAB CC(C)C[C@@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O 4316849 SBAPFBZXXVHJOS-SNVBAGLBSA-N 305.403 3.091 0 40 DGAB Cc1cc(CN2CCN(CC(F)(F)F)c3ccccc32)nn1C 84116916 ATSSMSLGVRETRD-UHFFFAOYSA-N 324.350 3.117 0 40 DGAB O=C(O)c1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2C1=O)CCC3 6513354 BFHSIVYNIGBVEA-NRFANRHFSA-N 318.372 3.398 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CC(c3ccccc3OC)=NO2)cc1 6738289 BPGYMHCPJBKQEH-GOSISDBHSA-N 324.380 3.389 0 40 DGAB CCOc1ccc2c(c1)C(=O)C(=O)N2Cc1cccc(Cl)c1 6758539 AULAIAVGTDUCRJ-UHFFFAOYSA-N 315.756 3.468 0 40 DGAB COc1ccc(OCC(=O)Nc2cccc3cnccc23)cc1 7655358 NMKNPDIEHRBFHG-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB COc1cc(CNC(=O)c2ccccc2C(F)(F)F)ccn1 32905185 BXAGPFPNGSLASJ-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB CCn1cc(CN[C@@H]2CCCc3c2cnn3C(C)(C)C)cn1 75610577 ALRJYMNSDHPRNU-OAHLLOKOSA-N 301.438 3.022 0 40 DGAB CCCc1nc(NCc2cccnc2)c2c(n1)c(C)nn2CC 57355849 IOSIILXDBKCPGH-UHFFFAOYSA-N 310.405 3.114 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1F 8016992 ANMAFUMBGJKXNW-JTQLQIEISA-N 314.316 3.106 0 40 DGAB CC[C@H](CO)NCc1cccc(OC)c1OCc1ccccc1 8337126 DHOBTIHPTGHNRS-QGZVFWFLSA-N 315.413 3.135 0 40 DGAB Cc1csc2nc(CN3c4ccccc4C[C@@H]3C)cc(=O)n12 8344455 IVKMJOGKDXDHCJ-NSHDSACASA-N 311.410 3.016 0 40 DGAB CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@H]1CCc2ccccc21 46875414 JGBVXCLDYGHRPU-AEFFLSMTSA-N 322.408 3.319 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccc(F)c3)c2)n1 47318128 QSGSXBRUSISDMF-UHFFFAOYSA-N 323.327 3.137 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)C1 102453755 FZSCVNIWMJTNQQ-MOROJQBDSA-N 307.434 3.305 0 40 DGAB CCN1CCN(Cc2csc(Nc3ccc(C)cc3)n2)CC1 22877415 JDVUJPMWVVJING-UHFFFAOYSA-N 316.474 3.333 0 40 DGAB CC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@](O)(C(F)(F)F)C1 802033 HHKPHXPRFAWSIG-GFCCVEGCSA-N 320.698 3.121 0 40 DGAB COC(=O)Nc1cccc(NC(=O)NCc2ccc(F)cc2)c1 47710840 BRIXLCHKPJCYNU-UHFFFAOYSA-N 317.320 3.326 0 40 DGAB c1ccc(-c2cnc(CN3CCN(c4ccccn4)CC3)o2)cc1 23762225 BYMUFUJDYAPGPS-UHFFFAOYSA-N 320.396 3.059 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1)c1ccccc1 12579759 YWBHADZSQVRDFG-INIZCTEOSA-N 306.369 3.331 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)c1cc(C2CC2)on1 25113113 NCNIBQZUJILIQS-LLVKDONJSA-N 300.358 3.394 0 40 DGAB CS[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 56132560 IMJTUCGQUVUBLH-SWLSCSKDSA-N 317.458 3.378 0 40 DGAB COC(=O)c1cc(Cl)cc(NCc2nnc(C(C)(C)C)o2)c1 79066015 PHGLCTCIOCBUBD-UHFFFAOYSA-N 323.780 3.419 0 40 DGAB C[C@@H]1[C@H](NC2CCN(CC(F)F)CC2)C[C@H]1c1ccccc1 108496668 RRJMXEJJFZUSSD-IAOVAPTHSA-N 308.416 3.498 0 40 DGAB COC(=O)[C@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc(F)c1 79097534 QOBBQRFNMUPJSL-GJZGRUSLSA-N 322.380 3.459 0 40 DGAB COc1ccc(-c2nnc([C@H](C)OC(=O)C3CCC3)o2)cc1 26902313 MWPCZYUDUUFOBU-JTQLQIEISA-N 302.330 3.150 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc2c(c1)OCO2 44980053 AZYOHOJYJRPTHP-CQSZACIVSA-N 314.366 3.174 0 40 DGAB COCCn1c(C)cc(/C=C2\SC(=O)N(C(C)C)C2=O)c1C 409125838 ABHPVVRSTIRJLQ-ZROIWOOFSA-N 322.430 3.196 0 40 DGAB COC[C@@H](C)CNC(=O)c1ccc(COc2ccc(F)cc2)o1 48343143 NOTUNHKXWVSNSE-LBPRGKRZSA-N 321.348 3.010 0 40 DGAB CC(C)(CNC(=O)C[C@H]1C=CCC1)N1CCc2ccccc2C1 45455498 LHTIXSNZJHAZAX-INIZCTEOSA-N 312.457 3.296 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)CCCc1nc2ccccc2s1 45446783 RRPUUVYQZUISFH-QWHCGFSZSA-N 318.442 3.255 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)N[C@@H](C)c2cn(C)nc2C)c1 69226136 ULQWZYNFGVOPCI-KBPBESRZSA-N 314.433 3.467 0 40 DGAB CC(=O)Oc1ccc2nc(/C=C/c3ccccc3)oc(=O)c2c1 4028223 LUDVEULFEIKDQU-JXMROGBWSA-N 307.305 3.284 0 40 DGAB biogenic COc1ccccc1C(=O)Nc1nsc(-c2ccccc2)n1 4269702 HEZFVZZTHXEKJK-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2cccc3c2OCCCO3)c1 69491642 RXEKBOQGXVCYPN-HUUCEWRRSA-N 315.417 3.092 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C(=O)c1cccc[n+]1[O-])C1CC1 65157349 XVUOTDXYPZCDFQ-LBPRGKRZSA-N 316.788 3.339 0 40 DGAB COc1ccc2[nH]c(C(=O)NCCc3ccccc3)c(C)c2c1 5204653 NRCFGDWASFRFCY-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1ccc2c(c1)OCCCO2 14076829 RZRULDMJRYNNKI-UHFFFAOYSA-N 316.382 3.045 0 40 DGAB COc1cccc2[nH]c(C(=O)Nc3ccc4c(c3)OCCO4)cc12 5346571 FIZMMHIWUGFKNA-UHFFFAOYSA-N 324.336 3.200 0 40 DGAB C[C@H](NC(=O)OCc1ccccc1)c1ccc(-n2cncn2)cc1 69558724 IPESPLJCLZARSM-AWEZNQCLSA-N 322.368 3.255 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1ccccc1C)c1cccs1 14206322 FLSZSHRFFRMIMW-AWEZNQCLSA-N 302.399 3.263 0 40 DGAB C[C@H](NC(=O)CCC(=O)NCCc1ccccc1)c1ccccc1 4674965 JNAAKJPSGGUPLT-INIZCTEOSA-N 324.424 3.003 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 4731703 GFSQQSOQLNSOFQ-GDBMZVCRSA-N 320.392 3.017 0 40 DGAB Cc1ccccc1N1CCN(C(=O)NC2CCCCC2)CC1 6896014 WCCRUGBEFHBTKN-UHFFFAOYSA-N 301.434 3.159 0 40 DGAB O=C(CCSC[C@H](O)c1ccccc1)Nc1ccccc1 69738887 PRTIKCHWAKFEPO-INIZCTEOSA-N 301.411 3.482 0 40 DGAB CCc1cnc(CCNC(=O)N2CC[C@H]3CCCC[C@@H]32)s1 80532612 JFGPWYLPVOZDSN-OCCSQVGLSA-N 307.463 3.222 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Cn2cc(Cl)cn2)cc1 28230872 CIPMKYHOMDHQSP-JTQLQIEISA-N 305.765 3.014 0 40 DGAB Cc1ccccc1N1CCN(C(=O)c2ccc(F)cc2F)CC1 7793128 FXGFGRSKHGEFAI-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@H]2CCCO2)cc1 7778714 QELWNBSOZFBLIM-LJQANCHMSA-N 324.424 3.352 0 40 DGAB NC(=O)[C@H](NCC1(Sc2ccccc2)CC1)c1ccccc1 68951740 XGWLRYQMRRJXOO-MRXNPFEDSA-N 312.438 3.128 0 40 DGAB Oc1nc2sc3c(c2c2nc(Cc4ccccc4)nn12)CCC3 8990604 QCJSKUUAKRTOSC-UHFFFAOYSA-N 322.393 3.124 0 40 DGAB CSCc1cc(F)ccc1CNc1ccc2nnc(C)n2n1 84297232 BUHRXQFKBJSKPT-UHFFFAOYSA-N 317.393 3.047 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1C 9364465 OHYAWSPMPNELTL-GFCCVEGCSA-N 310.353 3.275 0 40 DGAB Cc1cc(NC(=O)Cn2cccc2C=O)ccc1Br 72331933 OEPVMCKHIWJTSY-UHFFFAOYSA-N 321.174 3.010 0 40 DGAB Cc1cccc(NC(=O)c2nn(-c3ccc(F)cc3)cc2O)c1 72311807 RDQPRGGEBICWLU-UHFFFAOYSA-N 311.316 3.278 0 40 DGAB CC(C)(NC(=O)CCOCC(F)(F)F)c1cccc(F)c1 71914750 CGAJIAKPZDNCGZ-UHFFFAOYSA-N 307.287 3.146 0 40 DGAB Cn1c(=O)c(CN(Cc2ccccc2)C2CC2)nc2ccccc21 97201336 BLXYKBSMQVQLEX-UHFFFAOYSA-N 319.408 3.098 0 40 DGAB COCCn1c(CCCCC(=O)O)nc2cc(Cl)ccc21 95095656 NLMHDHUFSWFDEF-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB Cc1ccc2cc(C(=O)N[C@@H](CO)c3ccccc3)ccc2n1 95994445 MTAQEZJYKDMKDA-SFHVURJKSA-N 306.365 3.007 0 40 DGAB CCCn1cc(N[C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)cn1 95991564 ZNSVAWGLDMOKOZ-CHWSQXEVSA-N 310.442 3.397 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1cccc2cccnc12 9917316 DPYHUWYADDKCLA-UHFFFAOYSA-N 319.408 3.226 0 40 DGAB O=C(Nc1ccccc1O)c1cc(Cl)c2c(c1)OCCCO2 9908489 PXRIYADLQOQVNN-UHFFFAOYSA-N 319.744 3.459 0 40 DGAB Cc1ccc(CNCc2cscn2)c(OC[C@H]2CCCO2)c1 89623777 PQTZELGUBNHPFK-MRXNPFEDSA-N 318.442 3.299 0 40 DGAB CCN(CC)CN1C(=O)S/C(=C/c2ccccc2OC)C1=O 408718118 KMWWILVIGNTARF-GXDHUFHOSA-N 320.414 3.031 0 40 DGAB Cc1ccccc1OCC(=O)N[C@@H](C)COc1ccccc1C 65722159 LSKBHTXBDOELMJ-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CC1=Nn2c(nc3scc(-c4ccccc4)c3c2=O)SC1 36646110 DINZAIHGCTUZOY-UHFFFAOYSA-N 313.407 3.455 0 40 DGAB Cc1cc(NC(=O)c2nc(-c3ccccc3)cs2)cnc1O 536070274 ITKBUGATAVSNNO-UHFFFAOYSA-N 311.366 3.471 0 40 DGAB c1ccc2[nH]c(C3CCN(CCN4CCCCC4)CC3)nc2c1 36686047 OHTSQKGXQRQGGB-UHFFFAOYSA-N 312.461 3.228 0 40 DGAB CC(=O)c1c(F)cccc1N1CCC(OC2CCOCC2)CC1 77227074 LDEJMDVNJMJTHC-UHFFFAOYSA-N 321.392 3.193 0 40 DGAB CCOc1cccc(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634378 RZWGDPJJNUCQLJ-UHFFFAOYSA-N 314.292 3.270 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2ccc(C)cc2)C1 72365838 WEJLFYKMLHHPOZ-INIZCTEOSA-N 309.413 3.253 0 40 DGAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccc(F)cc1 214246130 OLFUCHBWITYHPS-RIYZIHGNSA-N 314.341 3.457 0 40 DGAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@@H]1c1ccccc1Cl)C(=O)N2 217476414 NRCFBBJFOVKPPU-SJKOYZFVSA-N 313.740 3.416 0 40 DGAB COc1ccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc2c1 33809477 HGVQZEANCAJHNR-GFCCVEGCSA-N 323.348 3.293 0 40 DGAB CCOc1cccc(CNC(=O)COc2cc(C)ccc2C)c1 48373743 REGMYTALJKOFHP-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CC(C)n1cccc1[C@H]1[C@H](c2ccccn2)NC(=S)N1C 222749075 UPTNKTAJSWSRIP-GJZGRUSLSA-N 300.431 3.066 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Br)cc3)=NN[C@H]2C1 228939281 ZVDYUHLWFOFRDR-WCQYABFASA-N 321.218 3.130 0 40 DGAB O=C(c1snnc1-c1ccccc1)N1CCc2ccccc2C1 225760341 VFSSZXSXKXOXTO-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB COc1ccccc1CNC(=O)Nc1c(C)cccc1OC 225562830 HJBPUZKSBMEUPP-UHFFFAOYSA-N 300.358 3.334 0 40 DGAB COc1ccc2c(c1)c(CC(=O)O)cn2C(=O)OC(C)(C)C 199551914 LYWITOUHDBRFBX-UHFFFAOYSA-N 305.330 3.060 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)CCC(=O)OC(C)(C)C)n1 192396667 SQEVKSWEJZDNQO-OAHLLOKOSA-N 318.417 3.175 0 40 DGAB Cc1cccn2c(CN[C@H](C)C[C@@H](O)c3ccccc3)cnc12 95448816 NXWDYXDPSSRCGI-CRAIPNDOSA-N 309.413 3.245 0 40 DGAB CCn1cc2c(n1)[C@@H](COC)CN(Cc1ccc(C)s1)C2 96059883 PKUHKPWGBVMCTE-CQSZACIVSA-N 305.447 3.019 0 40 DGAB C[C@H](Cc1ccc(Cl)cc1)NCCc1nnc2ccccn12 91266180 HRWYDZJLDLUKCH-CYBMUJFWSA-N 314.820 3.146 0 40 DGAB CCS(=O)(=O)CCCSc1nc2ccc(Cl)cc2[nH]1 96422194 CJNCDZYHUYNGTD-UHFFFAOYSA-N 318.851 3.133 0 40 DGAB CSc1ccc(NCC(=O)N(C)Cc2ccco2)cc1F 96453649 IAAUZOLXMHFHJN-UHFFFAOYSA-N 308.378 3.211 0 40 DGAB COC[C@@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1C 96219140 GPIBEYYEGHXMRX-HNNXBMFYSA-N 324.415 3.040 0 40 DGAB Cc1cc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)c(C)o1 247815489 CNWCMTZKYZJXAX-CQSZACIVSA-N 321.442 3.023 0 40 DGAB C[C@H](NC(=O)[C@@H]1C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 253388608 GOKPDKDRPGNKPQ-VBNZEHGJSA-N 309.365 3.396 0 40 DGAB c1cncc(CN2CCC[C@@H](Cc3cnc4[nH]ccc4c3)C2)c1 257249922 JKGLACITLSPLQA-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB CC(C)c1ccc2ncnc(N[C@@H]3CCN(C4CCC4)C3=O)c2c1 624783863 KLAMRKVSZQPQOY-QGZVFWFLSA-N 324.428 3.319 0 40 DGAB CC(C)(C)n1nc(C(=O)NCc2ccc(O)cc2)cc1C1CC1 51035390 PUVYOPAUBYQAOQ-UHFFFAOYSA-N 313.401 3.151 0 40 DGAB COCCN(C)C(=O)N[C@@H]1CCSc2ccc(Cl)cc21 56816887 SNXBJSXJQFFQHB-GFCCVEGCSA-N 314.838 3.165 0 40 DGAB Cc1cc(C(=O)N2CCC(c3nnc(C)s3)CC2)c(C)o1 75149283 KUINBBSZYGIARF-UHFFFAOYSA-N 305.403 3.076 0 40 DGAB C[S@@](=O)C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 79015856 GUTGDWDGXCSOHH-NYHFZMIOSA-N 320.389 3.067 0 40 DGAB CN(Cc1ccccc1)C(=O)c1cnn(Cc2ccccc2)c1 17334540 OTUCPRHAANUEKO-UHFFFAOYSA-N 305.381 3.204 0 40 DGAB C[C@@H]1C[C@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C(=O)O1 96308893 HLDMLPVWUINCCM-DIFFPNOSSA-N 314.360 3.100 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CCC(=O)CC2)C(F)(F)C1 1083104370 OONJIZGNVLYNHD-UHFFFAOYSA-N 303.349 3.392 0 40 DGAB COc1cc2nc(-c3ccc(F)cc3F)oc(=O)c2cc1OC 12619589 CSPHOPJSNGZXAB-UHFFFAOYSA-N 319.263 3.150 0 40 DGAB O=C(c1ccnn1C(F)F)N1CCC[C@H](Cc2ccccc2)C1 19370569 FRVQHJSEQPQSKO-CQSZACIVSA-N 319.355 3.373 0 40 DGAB O=C(Cn1ccnc1)Nc1ccc(OCc2ccccc2)cc1 10809214 TWMRBMFJTBYISK-UHFFFAOYSA-N 307.353 3.101 0 40 DGAB CC[C@H](C)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848877446 GOQVRRMIHRFWNK-ZDUSSCGKSA-N 317.408 3.046 0 40 DGAB CCCCCC(=O)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30503785 GOBVPUKQZXXDSU-OAHLLOKOSA-N 304.390 3.323 0 40 DGAB O=C(O)c1cc(-c2cc(Br)c(F)cc2F)on1 258569797 CAYQYZJWXGFNBM-UHFFFAOYSA-N 304.046 3.081 0 40 DGAB O=C(CCc1ccccc1)Nc1nnc(Cc2cccs2)o1 11694656 DUAQCGDVMOHDTH-UHFFFAOYSA-N 313.382 3.293 0 40 DGAB O=C1C[C@@H](c2ccccc2F)c2c(c3ccccc3[nH]c2=O)O1 13571231 NWNSUYZVJCPTKO-LBPRGKRZSA-N 309.296 3.108 0 40 DGAB COc1ccc(CNc2nc3cc(C)nn3c3ccccc23)cn1 32803872 HFCHZTLENYXTRV-UHFFFAOYSA-N 319.368 3.207 0 40 DGAB Cc1ccc(N2C(=O)CCS[C@]23C(=O)Nc2ccccc23)cc1 33973 DWORARQWIXXBCR-GOSISDBHSA-N 324.405 3.270 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(=O)C3CC3)cc2)cn1 31400632 GGYWQDUKGQRUSQ-CYBMUJFWSA-N 323.396 3.230 0 40 DGAB O=C(Cc1ccc(C(F)(F)F)cc1)NCCc1ccccn1 32657172 HJWGIXBVSIAPAM-UHFFFAOYSA-N 308.303 3.002 0 40 DGAB CCOc1ccc(-n2c(SC)nc3c(c2=O)SCC3)cc1 213962 ZSDOSLJMULJQEE-UHFFFAOYSA-N 320.439 3.001 0 40 DGAB C[C@@H](NC(=O)c1ccc(O)cc1O)c1ncc(-c2ccccc2)o1 97059376 ONPTXFVVINSNRK-LLVKDONJSA-N 324.336 3.244 0 40 DGAB O=C(NCCSc1ccccc1)c1ccn(-c2ccccc2)n1 32712232 JSSYCBOOEKVAOF-UHFFFAOYSA-N 323.421 3.394 0 40 DGAB Cc1ccc([C@@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)s1 97017334 KKVDOIGYEGFFOO-UKRRQHHQSA-N 306.475 3.498 0 40 DGAB Cc1ccccc1Nc1nnc(SCC(=O)NC(C)C)s1 3465357 GMQSAVOKVVFANH-UHFFFAOYSA-N 322.459 3.207 0 40 DGAB Cc1ccc(Cc2cnc(N3C(=N)S[C@@H](C)C3=O)s2)cc1 4384920 RSAOXLOEGBLZFW-JTQLQIEISA-N 317.439 3.445 0 40 DGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 2700242 UGWJKFXHNUAPCR-ZDUSSCGKSA-N 317.410 3.225 0 40 DGAB Cc1cc2nc(NC(=S)NC[C@H]3CCCO3)sc2cc1C 2771060 WMQOREXEGSDYOZ-LLVKDONJSA-N 321.471 3.379 0 40 DGAB O=c1[nH]c2c(s1)[C@H](c1cccnc1)[C@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 102836791 RRGJAKVGOZYHOQ-MAMCYAMTSA-N 316.451 3.484 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)N[C@@H]1CCCC[C@H]1C 8222098 WLSCLJJEZLVYFG-TZMCWYRMSA-N 320.458 3.432 0 40 DGAB S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN2CCCC[C@H]12 53519608 ZFWGTHPTTWUWRH-DLBZAZTESA-N 315.486 3.089 0 40 DGAB O=c1c2ccccc2cnn1Cc1cc(-c2ccc(F)cc2)no1 42111605 SKMMAWSBOMDZBE-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB Cn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3s2)cn1 23039315 JIGNVCGCJWOMLC-ZDUSSCGKSA-N 312.398 3.007 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](c1ccccc1)c1ccco1 61442679 LODYFTQUPJEXKL-GOSISDBHSA-N 310.353 3.333 0 40 DGAB CCOc1ccccc1CNC(=O)Nc1cccc(OC)c1 53748093 OGPVXXXJALJMFV-UHFFFAOYSA-N 300.358 3.416 0 40 DGAB COCCN[C@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 23230156 BSXAEGXIQZDLNC-SFHVURJKSA-N 308.381 3.328 0 40 DGAB CCCCCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 9926726 WWSLKFMOPUDELI-UHFFFAOYSA-N 308.381 3.343 0 40 DGAB O=S(=O)(Cc1ccccc1)c1ccccc1Br 47639466 MPGYYGFBSXCNSP-UHFFFAOYSA-N 311.200 3.423 0 40 DGAB Cc1cnc(C(=O)N(C)Cc2ccccc2N2CCCCC2)cn1 24391452 DWGYTXWFVVIZEH-UHFFFAOYSA-N 324.428 3.048 0 40 DGAB O=C(CCCn1ccnc1)N1CCCSc2ccccc21 72278395 BCCBDVVGODZHJD-UHFFFAOYSA-N 301.415 3.192 0 40 DGAB C[C@@H](Sc1ncc2ccccn12)C(=O)N(C)c1ccccc1 12529444 ULYCFTBEVCBPTH-CYBMUJFWSA-N 311.410 3.478 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1cccs1)c1ccc(F)cc1 12531607 CNYKCADPBHGEOZ-AWEZNQCLSA-N 315.373 3.140 0 40 DGAB O=C(N[C@H](c1ccc(Cl)cc1)c1cccs1)c1cnn[nH]1 56878008 CCTAIULGQNYRHU-CYBMUJFWSA-N 318.789 3.039 0 40 DGAB CC(C)CN(Cc1ccc(-n2cccn2)cc1)Cc1cnn(C)c1 55342166 LLTOLFSTGLKQDP-UHFFFAOYSA-N 323.444 3.264 0 40 DGAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccccc1F 106698298 WMBLUEOYGJHQNL-JYRVWZFOSA-N 302.330 3.390 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1cc(F)ccc1F 97140021 FLSHKCZTDPEIEU-SNVBAGLBSA-N 322.359 3.355 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1C 1941330 BVAKDOAOEBYQJG-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1nc2ncccc2n1C1CCN(C(=O)OC(C)(C)C)CC1 72319841 SRMOLHUEKZRXBU-UHFFFAOYSA-N 316.405 3.312 0 40 DGAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1C#N)c1ccc(F)cc1 3389007 JMAPPVRPHUKROF-QWHCGFSZSA-N 312.344 3.342 0 40 DGAB C[C@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 28305419 OEHNGWWNNRQDCX-LBPRGKRZSA-N 318.804 3.055 0 40 DGAB COC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)c(C)c1 58223333 MAULZNXWCKRMCY-UHFFFAOYSA-N 324.380 3.372 0 40 DGAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@H]1Cc2ccccc2O1 58202054 CJYBXNMSUDGWHG-OUCADQQQSA-N 313.319 3.227 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)NCc1cc2ccccc2o1 44955825 SLZFUQMZAQECDR-OAHLLOKOSA-N 324.384 3.043 0 40 DGAB CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2CCCC2)cc1 3307611 APIHQBQCUQJMKI-LLVKDONJSA-N 306.431 3.184 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1cccc(CN2CCCC2=O)c1 29287115 NUNVLFKSYHOTLQ-VAWYXSNFSA-N 320.392 3.461 0 40 DGAB COCc1ccc(CNC(=O)Nc2ccc(OC)c(F)c2)cc1 48448463 UOCUPXWVOHIWEV-UHFFFAOYSA-N 318.348 3.302 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1c(F)cccc1F 3532661 JSMWOEYGRMCASJ-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB O=c1cc(CSc2ncccn2)c2cc3c(cc2o1)CCC3 3511759 DWJKHNNVBDFFPV-UHFFFAOYSA-N 310.378 3.364 0 40 DGAB CC(C)c1ccc(-c2nnn(CC(=O)c3ccc(O)cc3)n2)cc1 12949010 JRJNGMQRMXFHRM-UHFFFAOYSA-N 322.368 3.052 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 69810607 YCTFHGWFYXITBN-MRXNPFEDSA-N 322.412 3.079 0 40 DGAB CCc1cc2c(=O)n(CCOc3ccc(F)cc3)cnc2s1 8726127 UHERPMXMGCOVFM-UHFFFAOYSA-N 318.373 3.239 0 40 DGAB CCOc1ccc(OCCOc2ncnc3ccccc23)cc1 6079011 JYURMQWCJZURCT-UHFFFAOYSA-N 310.353 3.486 0 40 DGAB CN(C)c1cccc(-c2nn3c(-c4ccco4)nnc3s2)c1 4414520 VTYRGOJWEXMVLP-UHFFFAOYSA-N 311.370 3.179 0 40 DGAB COc1ccc(Cl)cc1CN(C)Cc1ccc(C(N)=O)cc1 14017983 IOBNGDOGYRZUSK-UHFFFAOYSA-N 318.804 3.080 0 40 DGAB C[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 65564522 ZPHZFCYRNMOPNO-WMZOPIPTSA-N 323.440 3.171 0 40 DGAB Cc1ccc(C(=O)Nc2ccnn2CCc2ccccc2)cn1 65503404 FPJJHRQVLHEDBG-UHFFFAOYSA-N 306.369 3.082 0 40 DGAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(C=O)cc2)c(C)c1 6407720 SWJUBTJCZZEQRP-UHFFFAOYSA-N 310.349 3.464 0 40 DGAB COc1ccc(C(=O)N(C)Cc2ccccc2Cl)c(O)c1 14140910 XUOSWWMSCZAMJQ-UHFFFAOYSA-N 305.761 3.326 0 40 DGAB O=C(OCCSc1nnc(-c2ccc[nH]2)o1)c1ccccc1 14226371 RWKFNQOISOFIFS-UHFFFAOYSA-N 315.354 3.014 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(F)cc2)c1 8981712 FUQOSCQRVLGQFH-DHZHZOJOSA-N 312.344 3.227 0 40 DGAB CCOc1ccc(-c2nnc(NC(=O)Cc3ccccc3)o2)cc1 20496023 VNHSXHMBIFPVMP-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB COc1cc(C)ccc1OC(=O)COc1cccc(C(C)=O)c1 14784923 ZPWGJILXUDSFJW-UHFFFAOYSA-N 314.337 3.191 0 40 DGAB CSC[C@@H](C)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 66758309 JVZBXTDMXCCHDA-RHSMWYFYSA-N 314.454 3.419 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3C[C@@H]2C)cc1 6820734 VQBMICCEEFRRHQ-ZDUSSCGKSA-N 323.396 3.035 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCNC(=O)Nc1ccccc1 15077900 YYZFOKPOUDTAOX-UHFFFAOYSA-N 315.348 3.284 0 40 DGAB O=C(O)c1ccc([C@H]2CCCN(Cc3ccccc3F)C2)nc1 72343444 AYWXHKFAIARPCK-HNNXBMFYSA-N 314.360 3.299 0 40 DGAB O=C(Cc1ccccc1C(=O)O)Nc1cccc2ncccc12 71286459 ZTSUWBMZIFVRKR-UHFFFAOYSA-N 306.321 3.114 0 40 DGAB COc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1OC 7264945 IGASZNWJASEJRI-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB CCN(CC)CCn1cnc(-c2ccccc2)c1-c1ncc[nH]1 67742734 NEVJUFZMEQGXGD-UHFFFAOYSA-N 309.417 3.282 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)[C@H](C)CSC 80471481 BNUVJVGIIQHATA-MNOVXSKESA-N 314.426 3.288 0 40 DGAB Cc1cc(C(=O)Nc2ccc3nc(-c4ccco4)[nH]c3c2)nn1C 80409978 PVCJYCQEYHJDIY-UHFFFAOYSA-N 321.340 3.117 0 40 DGAB O=C(OCc1cc(-c2ccccc2)on1)c1ccc2c(c1)OCO2 8068657 JSMOUCRGGMLMMG-UHFFFAOYSA-N 323.304 3.427 0 40 DGAB CCN1CCN(c2ccc(NC(=O)c3ccccc3)cc2C)CC1 16725176 RFGILJYYRSRJPS-UHFFFAOYSA-N 323.440 3.389 0 40 DGAB Cc1c(C(=O)N2CCSC(C)(C)C2)oc2c1C(=O)CCC2 81852671 BBRKVCPREHKDCT-UHFFFAOYSA-N 307.415 3.075 0 40 DGAB c1ccc(-c2ccc(CN[C@H]3CCc4ncnn4C3)cc2)cc1 69491695 WLYMTVPGTQDTAS-SFHVURJKSA-N 304.397 3.050 0 40 DGAB COc1cccc2cc(CNc3c(C)c(C)nc4ncnn34)oc12 71920845 TYDPMQHDMIXCNA-UHFFFAOYSA-N 323.356 3.108 0 40 DGAB CCCCCC[C@](C)(NCc1nnc(C2CC2)o1)C(=O)OCC 71912112 HMXWXEHGQABMBU-KRWDZBQOSA-N 323.437 3.329 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc3nncn3c2)[C@H]1c1cccc(F)c1 84697780 NJWCORGVTGCKNK-YVEFUNNKSA-N 324.359 3.092 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@H](C)c2ccc(F)cc2)c1 95422674 FWXFGNMKMLDFDO-KZULUSFZSA-N 319.376 3.227 0 40 DGAB COc1ccc(CN2CCCN([C@H]3CC[C@@H](C)C3)CC2)cc1 95455300 NJINLYLLAGYQDW-AEFFLSMTSA-N 302.462 3.392 0 40 DGAB O=C(NCc1ccsc1)N1CCC[C@@H]1C[C@H](O)c1ccco1 89794402 UXYWUWOZARSOAI-KGLIPLIRSA-N 320.414 3.139 0 40 DGAB O=C(O)c1c(C(F)(F)F)nn(-c2ccc(F)cc2)c1Cl 37326963 PCTHVBSBJVFGFD-UHFFFAOYSA-N 308.618 3.382 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c1C 36635415 QEYWEYIGRAWXPY-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CCN1C(=O)/C(=C\c2ccccc2OCC(=O)O)c2ccccc21 409114260 GKZXOLVAVKZFLR-PTNGSMBKSA-N 323.348 3.057 0 40 DGAB Cc1c(O)ccc2c(CSC3=NCCS3)cc(=O)oc12 78394447 QCBIIZKXAZAIJW-UHFFFAOYSA-N 307.396 3.143 0 40 DGAB NC(=S)Nc1ccc(NC(=O)c2cccc(Cl)c2)cc1 72229745 QFSHGFMIQFJPFM-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB CCS[C@@H]1CCCCN(Cc2csc(NC(C)=O)n2)C1 78988536 NTLXTMBEZFYBHN-CYBMUJFWSA-N 313.492 3.209 0 40 DGAB CN1CCC(C(=O)Nc2ccc(OC3CCCC3)cc2)CC1 128677728 WCXJVLOPVQDKAM-UHFFFAOYSA-N 302.418 3.288 0 40 DGAB CC(=O)O[C@@H]1CCC2=C[C@@H](OC2=O)c2c(C)coc2/C=C\1C 71325813 POZFTWCDGVFNCC-LGQYFOJISA-N 302.326 3.241 0 40 DGAB biogenic,in-vitro Cc1nn(C)cc1[C@@H](C)NC(=O)[C@H](C)CCOc1ccccc1 73074987 YKDXJXOCROJDRN-ZIAGYGMSSA-N 315.417 3.011 0 40 DGAB CCOC(=O)[C@H](CN)[C@@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216351941 OCKDPBVSIVVMTJ-LNMJFAINSA-N 324.509 3.051 0 40 DGAB COc1cccc(CCCNC(=S)Nc2cccc(C)n2)c1 225555067 YILBQFYIYBVEMQ-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 195560593 UZMCAPVSEXKTNH-WMZOPIPTSA-N 312.344 3.226 0 40 DGAB CCc1cnc(Cn2cnc3c(Cl)cc(Cl)cc3c2=O)o1 96428800 FHLQUSPXXPYYTH-UHFFFAOYSA-N 324.167 3.302 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)Cc2nc(C3CC3)no2)C12CCCC2 96419733 RDOCECRLELIADK-ZIAGYGMSSA-N 305.422 3.117 0 40 DGAB COCCn1c(CCCCC(=O)O)nc2ccc(Cl)cc21 95095716 WNHCBYGAUTUSDY-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB C[C@H]1CC[C@H]1COc1ccc(I)cn1 96526331 GACFBUZVPLDDIU-IUCAKERBSA-N 303.143 3.111 0 40 DGAB C[C@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccccc1F 96404937 UIBCVILTCVICCE-BLLLJJGKSA-N 315.344 3.261 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)CCCCC[C@@H](C)O)C1 585131635 BFDFAOBWXTXKQM-HUUCEWRRSA-N 301.496 3.452 0 40 DGAB Cn1c(SC[C@@]23CCCN(CC2)C3)nnc1-c1cccs1 585119094 QLOQVZYGAWJVNQ-HNNXBMFYSA-N 320.487 3.122 0 40 DGAB CNc1cccc(CC[C@@H]2CCCCN2C(=O)c2cccnc2)n1 257240659 HUNUDGLVCUBMHQ-KRWDZBQOSA-N 324.428 3.146 0 40 DGAB Oc1nc(-c2ccc(OCC(F)F)cn2)nc2ccsc12 253535152 PFJTZFHMLKKUIL-UHFFFAOYSA-N 309.297 3.103 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)s1 257311872 ULJBLSXPWHERNE-CQSZACIVSA-N 317.458 3.112 0 40 DGAB Cc1ncccc1C(=O)N1CCC(C)(c2nccs2)CC1 257270760 MVOBHKCKYCSUFW-UHFFFAOYSA-N 301.415 3.040 0 40 DGAB COc1nnc(NC(=O)N[C@@H]2CCCC23CCCCC3)s1 666846087 CEWJISBOBXLLKP-SNVBAGLBSA-N 310.423 3.171 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)Cn1ccnc1 47028211 JOGPTPOYHXPHOO-OCCSQVGLSA-N 318.446 3.052 0 40 DGAB CN1C[C@H](NCc2cc(C(F)(F)F)ccc2Cl)CCC1=O 95973530 YHDKRPUUNCBNSF-LLVKDONJSA-N 320.742 3.069 0 40 DGAB Cc1nc2c3ccccc3nc(S[C@@H](C)c3ncccn3)n2n1 1559354865 HDFYNLNDPLZSPM-JTQLQIEISA-N 322.397 3.229 0 40 DGAB CC(C)(C)c1ccc(C(=O)CSc2nnc(N)s2)cc1 5636426 ORNIOBGNMGSUFE-UHFFFAOYSA-N 307.444 3.393 0 40 DGAB CCOc1cc(NC(=O)Cc2ccccc2)c(OCC)cc1N 13564043 SRULUIZFQUWUTF-UHFFFAOYSA-N 314.385 3.247 0 40 DGAB Cc1cccc(Cn2c([C@H]3CC(=O)N(C)C3)nc3ccccc32)c1 13570027 FZVWKFDZYMBWHN-INIZCTEOSA-N 319.408 3.339 0 40 DGAB CCc1ccc(-n2nnnc2/C=C/N(C)c2ccccc2)cc1 16162100 SJMVOUWPEJPLDQ-BUHFOSPRSA-N 305.385 3.332 0 40 DGAB O=[S@](C/C=C/C[S@](=O)c1ccccc1)c1ccccc1 18154014 KXEPGWAOCGYHMU-SCSYBTMDSA-N 304.436 3.158 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1ccc(Cl)s1 4275826 STXNHRWENYHPIJ-UHFFFAOYSA-N 300.792 3.075 0 40 DGAB Cc1ccsc1CCC(=O)NC[C@@H]1COc2ccccc21 585149997 KJJAEKQJXGLVBQ-CYBMUJFWSA-N 301.411 3.282 0 40 DGAB O=C(Nc1cccc(-c2cn3ccsc3n2)c1)c1ccno1 38486244 QUPWHVAUSDELLK-UHFFFAOYSA-N 310.338 3.303 0 40 DGAB CC(C)CNC(=O)Nc1ccc(I)cc1 40096936 LHQABZRCRLFDLT-UHFFFAOYSA-N 318.158 3.069 0 40 DGAB COc1ncccc1NC(=O)[C@@H]1Cc2ccc(C)cc2S1 40119675 LNEQFSVRRPPZBQ-AWEZNQCLSA-N 300.383 3.054 0 40 DGAB O=Cc1nc(Br)c(-c2cnc3ccccc3c2)[nH]1 1857794908 UKNJRVLTYYXYOC-UHFFFAOYSA-N 302.131 3.200 0 40 DGAB CC(C)[C@H](NCc1nnnn1-c1ccccc1)c1cccs1 32764880 BFLNIWFUIYGQTM-INIZCTEOSA-N 313.430 3.211 0 40 DGAB CSCc1c(C(=O)O[C@@H]2C[C@H](C)OC2=O)oc2ccccc12 32736486 NITWZHQYSBANKN-TVQRCGJNSA-N 320.366 3.157 0 40 DGAB Cc1ccc(S(=O)(=O)CCOC(=O)Nc2ccccc2)cc1 1717891 DWBFOKRQTOUFLE-UHFFFAOYSA-N 319.382 3.017 0 40 DGAB Cc1cccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1C 7928654 LABDFCPCYNGEAJ-KRWDZBQOSA-N 323.392 3.258 0 40 DGAB COC(=O)c1cc(CNc2ncnc3ccccc23)ccc1OC 52712831 XKWLLUBIQNUGDA-UHFFFAOYSA-N 323.352 3.037 0 40 DGAB C[C@H]1CCCN([C@H](CN)c2ccccc2OC(F)(F)F)C1 108350007 FALFGAHFGMNHNS-WCQYABFASA-N 302.340 3.317 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCCCO2)N1CCc2ccccc21 8231438 XKHFPGBNVHMEIE-VQHVLOKHSA-N 321.376 3.450 0 40 DGAB O=C(CCC(=O)c1ccc2ccccc2c1)Nc1c[nH]ccc1=O 52965298 KZCSCMFIJMFGOO-UHFFFAOYSA-N 320.348 3.130 0 40 DGAB CCOc1ccc(-n2nc(C(=O)O)nc2-c2cccc(C)c2)cc1 8730813 QTVUMZSQXSPHSI-UHFFFAOYSA-N 323.352 3.340 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 12138175 TWEPJTDULXLCAV-CYBMUJFWSA-N 303.789 3.466 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC([C@@H](O)c2ccccc2)CC1 23383951 DDVQNEVIJKYPOZ-SFHVURJKSA-N 313.372 3.412 0 40 DGAB CC(C)c1ccccc1O[C@H](C)C(=O)NCCCN1CCCC1 20049921 OMCUURKOTONZHX-MRXNPFEDSA-N 318.461 3.179 0 40 DGAB Cc1cnn(CCCNc2nc(-c3cccnc3)nc(C)c2C)c1 76062897 UVJKSYJSFTXCSH-UHFFFAOYSA-N 322.416 3.163 0 40 DGAB Cc1cccn2c(=O)cc(CN(C)[C@H](C)c3ccccc3)nc12 24685587 WFCXWSLILGBDCQ-OAHLLOKOSA-N 307.397 3.196 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1ccccc1C(F)(F)F 1397323 MDJFOOWYLORBGO-UHFFFAOYSA-N 321.254 3.433 0 40 DGAB Cc1nn(C)c2c(NCc3ccc(F)cc3)nc(C3CC3)nc12 57356030 STAARAYVKHQUPY-UHFFFAOYSA-N 311.364 3.300 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)cn1 12527287 LIGMSJFTKICKHO-SNVBAGLBSA-N 306.749 3.150 0 40 DGAB O=C(Cc1ccsc1)NCc1ccc(Br)s1 25472461 HDJOJOGLAQHFMT-UHFFFAOYSA-N 316.245 3.431 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2C(=O)c2ccccc2)nn1C 27971019 GJWVGZXRHMUONY-UHFFFAOYSA-N 319.364 3.212 0 40 DGAB CC(C)[C@@H](NCc1ccc(C(N)=O)cc1)c1ccc(F)cc1 27369512 PFUZVWUXQGLSQE-QGZVFWFLSA-N 300.377 3.412 0 40 DGAB CCCCC(=O)NC[C@@H](c1ccccc1Cl)N1CCOCC1 27662092 RTSUAUHZPJUDOS-INIZCTEOSA-N 324.852 3.020 0 40 DGAB CC(C)(C)n1nc(C(=O)NCCc2ccco2)cc1C1CC1 58438619 DMWZKYFWOFJVNV-UHFFFAOYSA-N 301.390 3.081 0 40 DGAB CCOCCCNC(=O)c1ccc2c(c1)C(=O)c1ccccc1-2 10890635 UXCVBXXEMRLOAP-UHFFFAOYSA-N 309.365 3.054 0 40 DGAB O=C1c2ccccc2C(=O)N1CCSc1ncccc1Cl 11033271 WLPJRGMWYGHODK-UHFFFAOYSA-N 318.785 3.123 0 40 DGAB O=C(NCCSCc1ccsc1)[C@@H]1Cc2ccccc2O1 28803975 GRDDAOWDDPKKGT-HNNXBMFYSA-N 319.451 3.101 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc(-c2cccnc2)n[nH]1 96116861 CGQNZEXVLOJFMY-UHFFFAOYSA-N 324.388 3.118 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N(Cc3cnn(C)c3)C(C)C)c12 69593843 HZMOQIHHPZLXJR-UHFFFAOYSA-N 324.428 3.190 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)c1cccc2cn[nH]c12 39553517 KCTYSRQVPMSWIL-UHFFFAOYSA-N 309.369 3.022 0 40 DGAB CC(=O)c1cccc(NCC(=O)N2CCCc3ccccc32)c1 6249774 OTVIXHNBDCPIBW-UHFFFAOYSA-N 308.381 3.281 0 40 DGAB COc1cccc(C(=O)NCCSc2ccccc2)c1OC 14185156 GISGUHBNUOFSLL-UHFFFAOYSA-N 317.410 3.226 0 40 DGAB Cc1ccc(C)c(C[S@](=O)CC(=O)NC2CCCCC2)c1 66293760 PPUYNVYBAFUYNI-OAQYLSRUSA-N 307.459 3.001 0 40 DGAB CC(=O)c1ccc(NCC(=O)N2c3ccccc3C[C@@H]2C)cc1 7952905 HZYFTQQBVXVRAO-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB COc1cc(C(=O)Nc2cccnc2)ccc1OCC(C)C 8133124 RWZMXCHRJJUPGA-UHFFFAOYSA-N 300.358 3.377 0 40 DGAB O=C1NC2(CCCCC2)C(=O)N1Cc1ccc(F)cc1Cl 9316920 JPAWQYQHVYJWAT-UHFFFAOYSA-N 310.756 3.234 0 40 DGAB CC[C@@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1)c1ncc[nH]1 97095788 SWOOFGOXHHZVRT-OQHXTRMZSA-N 321.327 3.292 0 40 DGAB CC(C)C[C@H](NC(=O)[C@H](C)C1CCOCC1)c1ccccn1 96484904 GHGKKPCUMULYEO-PBHICJAKSA-N 304.434 3.348 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96450441 PPLFEXGKSXGKCY-LSDHHAIUSA-N 306.431 3.049 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc(Cl)o2)n1 71870123 PPTBMRSZUJENLT-GFCCVEGCSA-N 307.781 3.051 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccccc1Cl 71859013 CHWKAYKSMUQPMH-GIPWTMENSA-N 313.850 3.036 0 40 DGAB CS[C@H]1CCC[C@@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 72287117 BEXXSEKTKUWGPF-OLZOCXBDSA-N 324.421 3.188 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H](C)n2c(C)ccc2C)C1 72234604 WPRMJNFPAYTLQK-WBVHZDCISA-N 314.433 3.035 0 40 DGAB C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC[C@H]1NC(=O)OC(C)(C)C 72293573 IMLSUENPSWHAFU-QLFBSQMISA-N 322.449 3.104 0 40 DGAB COc1ccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)cn1 72403917 AEDRLRNELYEYAZ-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CC(C)(C)[C@H](CO)NC(=O)Nc1ccccc1C(F)(F)F 78821566 BKGASJGMYLLLDG-NSHDSACASA-N 304.312 3.234 0 40 DGAB COc1ccc([C@H](C)NCc2ccnn2C)c(Br)c1 95987787 CJHGCGAEWNIMFK-JTQLQIEISA-N 324.222 3.042 0 40 DGAB Cn1ccc(NC(=O)COc2ccc(Oc3ccccc3)cc2)n1 9975841 XNRDLJNOOCTKFW-UHFFFAOYSA-N 323.352 3.230 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)Nc1c[nH]nc1O 1558987819 QIADMWZUNKYMGN-UHFFFAOYSA-N 307.353 3.276 0 40 DGAB COc1ccccc1N(C)S(=O)(=O)c1ccc(SC)cc1 64476626 FEBLBDURVDXDSO-UHFFFAOYSA-N 323.439 3.242 0 40 DGAB CC(C)(C)c1noc(CCC(=O)NCc2ccccc2Cl)n1 31214211 DYZKXZZPNQGADL-UHFFFAOYSA-N 321.808 3.270 0 40 DGAB CN(C(=O)NCc1nn(-c2ccccc2)c2c1CCC2)C1CCC1 73782846 JFYZWCACCSHDKN-UHFFFAOYSA-N 324.428 3.055 0 40 DGAB FC(F)(F)[C@H]1CCC[C@@H](NCc2nnc3n2CCCCC3)C1 129186306 SSEJVMFFPXUXBF-NWDGAFQWSA-N 316.371 3.215 0 40 DGAB COc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(C)cc2)cc1Cl 72227896 UYSUITJIZRLCAG-HZPDHXFCSA-N 316.788 3.072 0 40 DGAB COc1c(F)cc(NC(=O)N(C)[C@@H](C)CSC)cc1F 77280733 XHGVCYDEVRMILM-QMMMGPOBSA-N 304.362 3.189 0 40 DGAB Cn1cnc(-c2cc(Br)cc(Br)c2)n1 2362801915 XSFDRZXKFGUZLA-UHFFFAOYSA-N 316.984 3.007 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1 37817583 RTEHEZBDECOBGP-AWEZNQCLSA-N 315.244 3.468 0 40 DGAB Cc1csc(C2CCN(C(=O)[C@]3(C)CCCCN3C)CC2)n1 72367312 VOMCGPWXMFWPMR-KRWDZBQOSA-N 321.490 3.032 0 40 DGAB CC(C)[C@H](N)c1nnc2ccc(-c3ccc(Cl)cc3)nn12 217565039 KLIRRSWHSMOOTP-AWEZNQCLSA-N 301.781 3.101 0 40 DGAB CC(C)(C)OC(=O)N(c1ncccc1[C@H]1CCCN1)C1CC1 72215365 RFPWTBACUUBBNG-CQSZACIVSA-N 303.406 3.410 0 40 DGAB CC(C)c1nn(C)cc1CNCc1ccccc1-n1ccnc1 78612755 NPCPQMLRVAOHDS-UHFFFAOYSA-N 309.417 3.019 0 40 DGAB CCCCOC(=O)c1cc(N)ccc1Sc1nc(CC)n[nH]1 70462437 WNIXONBLYOEGJZ-UHFFFAOYSA-N 320.418 3.057 0 40 DGAB COc1ccc(O[C@@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225028895 LLOHOTOMHKOXPR-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB C[C@@H](Nc1cccc(C2CC(=O)NC(=O)C2)c1)C1CC(F)(F)C1 529590633 LSFDJZSOUSPVNS-SNVBAGLBSA-N 322.355 3.053 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 225893379 YEVOMPDHQSLXOT-GFCCVEGCSA-N 323.396 3.381 0 40 DGAB O=C(N[C@@H]1CCC[C@H](O)C1)C1c2ccccc2Oc2ccccc21 75156753 BOLFTIVDHITOFN-KGLIPLIRSA-N 323.392 3.344 0 40 DGAB CSCC[C@@](C)(O)CNC(=O)Cc1cccc2ccccc12 75157479 LYNQMBKMAOJVSD-GOSISDBHSA-N 317.454 3.003 0 40 DGAB O=S(=O)(c1ccccc1)N1CCC(c2ccsc2)CC1 75157153 XEWLPGUDYLZFTM-UHFFFAOYSA-N 307.440 3.316 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCCSC2CCCC2)c1 223214631 GPUUVTKMKMJXJN-CYBMUJFWSA-N 323.458 3.255 0 40 DGAB CCOCCC1CCN(C(=O)Cc2cccc(F)c2F)CC1 87365719 WKHCPRWOEXJKAU-UHFFFAOYSA-N 311.372 3.173 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1N 226272618 RSRSDZBUJRZWNR-UHFFFAOYSA-N 308.284 3.131 0 40 DGAB O=C(CCCc1nc2ccccc2o1)NCCOc1ccccc1 224950862 PKALAMWWSCLMAA-UHFFFAOYSA-N 324.380 3.346 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(OC)c(C)c1 222869352 WROBZFGPCZEMLI-QGZVFWFLSA-N 318.461 3.388 0 40 DGAB Cc1nccc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 290735666 BKGQNIFIZIQWFE-UHFFFAOYSA-N 312.348 3.449 0 40 DGAB CCO[C@H](C)c1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 96433570 DNYYKLCZXHFBKT-LLVKDONJSA-N 317.418 3.433 0 40 DGAB CC[C@@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1nccs1 96415472 PHTDKOYYSWZNNX-YPMHNXCESA-N 304.419 3.392 0 40 DGAB COc1ccc2sc(C(=O)N[C@H]3CCCOC3)c(C)c2c1 96425119 XRIZCMDSLALZMH-NSHDSACASA-N 305.399 3.127 0 40 DGAB CC[C@H](NC(=O)NCCCCOC)c1ccc(F)cc1F 96415237 DCGHDOZOPLMKLR-AWEZNQCLSA-N 300.349 3.142 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)CCc2ccsc2)o1 96412280 NKBJVLPHXWCVKQ-HNNXBMFYSA-N 319.426 3.436 0 40 DGAB Cc1cccc(C[C@H]2CNCC[C@H]2OCc2csc(C)n2)c1 96218874 WNPMPUQORHIOTH-FUHWJXTLSA-N 316.470 3.497 0 40 DGAB OCc1ccccc1CNCc1ccc(OC(F)F)c(F)c1 95437362 SVFXVOYEZRYQTF-UHFFFAOYSA-N 311.303 3.209 0 40 DGAB CCc1ccc([C@H]2CCCCCN2C(=O)c2csnn2)o1 96417153 ADVBMNQDTVCIPC-CYBMUJFWSA-N 305.403 3.451 0 40 DGAB Cc1ccccc1[C@H](CO)N[C@@H]1CCC[C@H](c2ccnn2C)C1 579313816 SFGZCAJXQWSGJJ-JZXOWHBKSA-N 313.445 3.078 0 40 DGAB CC(C)(C)Oc1ccccc1NC(=O)c1cc(C(N)=O)cs1 96406507 FNEMACKNQUJHPD-UHFFFAOYSA-N 318.398 3.277 0 40 DGAB Cc1ncc(NC(=O)C(C)(C)c2ccc3c(c2)OCCO3)s1 332146705 MTNUDJDKCQIQND-UHFFFAOYSA-N 318.398 3.139 0 40 DGAB FC(F)(F)c1c[nH]c(C2CCN(Cc3cccnc3)CC2)n1 96424540 POCHYZUORUQPGH-UHFFFAOYSA-N 310.323 3.203 0 40 DGAB Cc1ccc(CN2C[C@H]3C[C@H]2CN(Cc2ccoc2)C3)s1 248082083 JEAAQLHRHRGHKU-HOTGVXAUSA-N 302.443 3.356 0 40 DGAB CCOc1ccccc1CN1CCC2(CC1)OCCC[C@H]2OC 257267320 MGUBIETZPCDYFH-GOSISDBHSA-N 319.445 3.245 0 40 DGAB O=C(O)[C@H]1CC[C@H](C(=O)Nc2cccc(-c3ncco3)c2)CC1 262984797 URBJIVJLFIRMAK-HAQNSBGRSA-N 314.341 3.171 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)COC1CCCCC1 71870345 KGWBBBOESQKURC-INIZCTEOSA-N 319.449 3.050 0 40 DGAB Cc1ccc(Sc2ccc(/C=C3/NC(=S)NC3=O)o2)cc1 331911 IPWAKMDYEAFJQA-XYOKQWHBSA-N 316.407 3.084 0 40 DGAB Cc1ccc2oc(C(=O)Nc3ccc(C(=O)O)cc3)cc(=O)c2c1 11689973 VXKGFXDUFDCLPN-UHFFFAOYSA-N 323.304 3.052 0 40 DGAB Cc1ccc(CS(=O)(=O)NCCCc2ccccc2)cc1 13671532 LYQBOKAFWIKZBA-UHFFFAOYSA-N 303.427 3.047 0 40 DGAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccs1)C2=O 19323215 FRJUSGDBPPXZFL-UHFFFAOYSA-N 318.486 3.245 0 40 DGAB biogenic C[C@@H]1CCc2noc([C@H]3CCCN(C(=O)c4ccco4)C3)c2C1 19497159 HLQYTZPYJWCHLH-OLZOCXBDSA-N 314.385 3.412 0 40 DGAB CCc1s/c(=N\c2ccc(C)cc2)n(C(C)=O)c1OC(C)=O 5375671 OAHMZMSRNLCBDV-MSUUIHNZSA-N 318.398 3.238 0 40 DGAB Cc1cc(C)n(CN(Cc2ccccc2)Cn2nc(C)cc2C)n1 24718351 VFYVMLJDHYLKBD-UHFFFAOYSA-N 323.444 3.431 0 40 DGAB biogenic CC(=O)c1cccc(NC(=O)Cn2c(C)nc3ccccc32)c1 5627869 GDFOLGNLTUUESQ-UHFFFAOYSA-N 307.353 3.186 0 40 DGAB CC(C)(C)C(=O)N1CC[C@H](COc2ccc(C(C)(C)C)nn2)C1 1888842666 NCOQYIAJKNXKEL-ZDUSSCGKSA-N 319.449 3.048 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(c3cc(C)nc(C)n3)C2)n1 1888844492 ADPSWZSWSSHYMZ-INIZCTEOSA-N 312.417 3.092 0 40 DGAB Cc1cccc2nc(C(=O)Nc3cnc4ccccc4c3)cn12 25156774 KFWLAPMUBOTQQG-UHFFFAOYSA-N 302.337 3.443 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)C3(c4ccc(F)cc4)CC3)ccc21 21695843 UZCPLDYUHMAJBK-UHFFFAOYSA-N 324.355 3.015 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)Nc1cccs1 1775965573 DLXKEPOMCMRBLR-JTQLQIEISA-N 318.354 3.456 0 40 DGAB O=C(/C=C/c1ccccc1)NCC[C@H](CCO)c1cccs1 575608283 RTXNYSIMCBWHRN-ROJDOSBLSA-N 315.438 3.434 0 40 DGAB CCC(CC)[C@H]1C[C@H](NC(=O)c2sc(C)nc2C)CCO1 97232825 DCIFEUOLFKJIEE-ZIAGYGMSSA-N 310.463 3.474 0 40 DGAB Cc1ccc(NC(=O)CCC(=O)N2CCc3ccccc32)cc1 500288 TUKPRZGHLADSMT-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB Cc1cc(C(=O)NCC2CC2)c2c(Br)cccc2n1 40156898 WJPUDEWNMQNWEF-UHFFFAOYSA-N 319.202 3.446 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)Cc2ccsc2)CC1 31001906 FCMAXKCPOVVAKY-UHFFFAOYSA-N 313.422 3.412 0 40 DGAB Cn1ccnc1[C@H](NC(=O)CC1CCCC1)c1ccccc1F 40475579 JYOIMNRJKNJPIB-QGZVFWFLSA-N 315.392 3.345 0 40 DGAB O=C(CCc1nc(-c2ccsc2)no1)NC1CCCCC1 40466449 BJKNAQUMLXIMKG-UHFFFAOYSA-N 305.403 3.180 0 40 DGAB C[C@H](NC(=O)CCCc1nc(-c2cccs2)no1)C1CC1 40523511 JRWWBLUTLZGPFK-JTQLQIEISA-N 305.403 3.036 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)sc2ccccc21 245889 WAJXCAKTLUJXNW-STQMWFEESA-N 318.442 3.148 0 40 DGAB C[C@H]1C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)C1=O 35094 WZMCHFHHRACTST-PRHODGIISA-N 311.175 3.278 0 40 DGAB O=C(NC1(C(=O)O)CCCC1)c1cccc(Cl)c1Cl 36924568 UNAZTBGYCUSYST-UHFFFAOYSA-N 302.157 3.121 0 40 DGAB CN(C)c1cccc2c(S(=O)(=O)N3CCCCC3)cccc12 226322 IRHRWFMGWZOGDI-UHFFFAOYSA-N 318.442 3.080 0 40 DGAB CCc1ccc(NC(=O)CCC(=O)NCc2ccccc2)cc1 341713 XLAXHOQRQSIQSK-UHFFFAOYSA-N 310.397 3.284 0 40 DGAB CCOc1ccccc1-n1nnc(C(=O)Nc2ccccc2)c1C 2698905 GXAXIEMMFDMCKF-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(N4C[C@@H](C)O[C@H](C)C4)c23)C1 1162673 AMLLXYHKSZSITC-QJPTWQEYSA-N 317.458 3.430 0 40 DGAB CC(C)C(=O)O[C@@H]1c2cc(OCCN(C)C)ccc2C[C@@H]1C 1668195 MZHSSHXKQOTGOQ-GUYCJALGSA-N 305.418 3.060 0 40 DGAB CC(C)C[C@H]1NC(=O)N(c2cccc(C(F)(F)F)c2)C1=O 2227341 QZXAROQUSHNWRL-LLVKDONJSA-N 300.280 3.176 0 40 DGAB CCCOC(=O)c1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 3072137 KDBKQQIWTLPEJV-UHFFFAOYSA-N 322.430 3.113 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](C(=O)C[C@H]4CC(=O)CC[C@@]43C)[C@H]1CCC2=O 3847903 FJZKBPUBWKYMHG-WXWNXPJBSA-N 302.414 3.346 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2ccccn12 32810385 CDYZLCXYHQHKGX-SECBINFHSA-N 318.739 3.013 0 40 DGAB NC(=O)Nc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 32901847 FPKMUBLLQJECLA-UHFFFAOYSA-N 323.274 3.448 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccccc1F 500490 NXQWDQWOBMZWFE-HNNXBMFYSA-N 303.289 3.124 0 40 DGAB COCCn1c(-c2ccccc2)cs/c1=N/c1cccnc1 103789567 IEFLQEADVLZLGM-HTXNQAPBSA-N 311.410 3.490 0 40 DGAB Cc1cc(C)c(S(=O)(=O)n2nc(C)c(Cl)c2C)c(C)c1 2774661 VQOJSISLHIVVKA-UHFFFAOYSA-N 312.822 3.316 0 40 DGAB C[C@@H](O)c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 53755892 MOAPICPQJBDCFN-SNVBAGLBSA-N 306.312 3.340 0 40 DGAB CN(Cn1ncc(Cl)c(Cl)c1=O)[C@H]1CCc2ccccc21 22758498 WWYHGGMFCUEHAA-ZDUSSCGKSA-N 324.211 3.127 0 40 DGAB COc1ccccc1C(=O)NCCCCN1C[C@@H](C)C[C@@H](C)C1 47038411 WFWDFUMSNUIHJS-IYBDPMFKSA-N 318.461 3.183 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@H](C)Nc2ncnc3sccc23)C1 106139189 WGOXKOHSIWMOAW-XQQFMLRXSA-N 304.463 3.470 0 40 DGAB Cc1ccccc1C[S@](=O)CC(=O)NC1CCCCCC1 24829114 URYNJCQLNIXBFQ-OAQYLSRUSA-N 307.459 3.083 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)c2ncc(C)s2)c(C)n1 96471135 WIAWQLBHPYRBTE-JTQLQIEISA-N 306.391 3.046 0 40 DGAB CC(C)c1nc(COc2ccc(O[C@@H](C)C(N)=O)cc2)cs1 96429016 ZMGGYDBTHFHOPO-NSHDSACASA-N 320.414 3.098 0 40 DGAB CC(=O)c1cc(C(=O)Nc2ccc(C)c3ncccc23)n(C)c1 43506901 BGMCIELCYWDOOC-UHFFFAOYSA-N 307.353 3.337 0 40 DGAB O=C(NCc1cccnc1)c1ccc(C2SCCS2)cc1 12532817 FRLDPXOKKVPBTQ-UHFFFAOYSA-N 316.451 3.490 0 40 DGAB O=C([C@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1 1745049 VNRLSOMNWLQRHF-MOPGFXCFSA-N 306.409 3.139 0 40 DGAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccccc1 57486390 XCPHRYGYYOODIS-UHFFFAOYSA-N 310.378 3.001 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC(OCC(C)C)CC3)cc2n1 69902647 FTHAQYCPVSXERX-UHFFFAOYSA-N 316.401 3.413 0 40 DGAB COc1cc(C(=O)NCCC[C@@H]2CCC[C@@H]2O)ccc1Cl 97022233 NVZZJTCASQNVEV-FZMZJTMJSA-N 311.809 3.020 0 40 DGAB CC(=O)[C@@H]1[C@@H]2Oc3ccccc3[C@@H]1NC(=S)N2c1ccccc1 104532384 RWPOABBUOYJRBT-ULQDDVLXSA-N 324.405 3.046 0 40 DGAB COc1nc(C(=O)N(C)Cc2cccc(O)c2)cc2ccccc12 58218274 RAZCBWDLRIDIRE-UHFFFAOYSA-N 322.364 3.221 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(-c3ccccn3)no2)cc1 65152828 FWGDMHSKTWQSQZ-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB COc1ccc2oc(C)c(C(=O)N3CCC(OC)CC3)c2c1 44921835 OYHRJGBDEBXHOC-UHFFFAOYSA-N 303.358 3.001 0 40 DGAB CC[C@H](NC(=O)c1ccc(C(N)=O)cc1)c1ccc(Cl)cc1 10919069 AHPHSVGWVDSTAE-HNNXBMFYSA-N 316.788 3.320 0 40 DGAB COC(=O)c1cc(COC(=O)c2ccccc2Cl)oc1C 3363923 YYUMYUHIKOOBKB-UHFFFAOYSA-N 308.717 3.385 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCCc1csc(C)n1 27988715 YTQVXBVWRLKKDU-CQSZACIVSA-N 322.405 3.107 0 40 DGAB Cc1ccccc1NC(=O)C[C@@H](NC(N)=O)c1ccccc1C 48332423 OLGAQTYGUCKEQF-MRXNPFEDSA-N 311.385 3.042 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1Cl)NC1CCCCC1 3450171 QRWRGULZHYIIIU-UHFFFAOYSA-N 313.756 3.085 0 40 DGAB Cc1cc(C)c(NC(=O)c2nn(C)c(=O)c3ccccc23)c(C)c1 3561801 KVFQDWLQKJJAJY-UHFFFAOYSA-N 321.380 3.111 0 40 DGAB O=C(Cc1ccsc1)NC[C@@H](c1ccco1)N1CCCCC1 3504525 JAVBDEYKCUKKTE-HNNXBMFYSA-N 318.442 3.227 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1Cc1cc(-c2ccccc2)on1 8734345 XFGMTDHTFMRSAZ-UHFFFAOYSA-N 310.353 3.161 0 40 DGAB COC(=O)c1ccc(OC(=O)c2cc3c(s2)CCC3)cc1 13137607 QBZLZHPZAOBYKO-UHFFFAOYSA-N 302.351 3.243 0 40 DGAB Cc1cc(NC(=O)N[C@@H](c2nc3ccccc3[nH]2)C(C)C)no1 39540155 OBLCHLFZPFKKJE-CQSZACIVSA-N 313.361 3.378 0 40 DGAB COc1ccc2cc(C(=O)N(C)Cc3ccco3)c(C)nc2c1 14140002 BDLYAMIDLTYAAI-UHFFFAOYSA-N 310.353 3.417 0 40 DGAB Cc1cc(C)c2c(n1)oc1c(NCc3cccnc3)ncnc12 6719048 YKWNLGCZHSOITL-UHFFFAOYSA-N 305.341 3.395 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)s1 5975404 HQVAFOMULXJEHK-KGYLQXTDSA-N 309.431 3.154 0 40 DGAB COc1ccc(F)cc1CSCC(=O)Nc1nccs1 71862851 QERZXUSMIJHNGA-UHFFFAOYSA-N 312.391 3.163 0 40 DGAB CC(C)(CC(=O)N1CCC[C@@H]1CN1CCCC1)c1ccccc1 67614091 XCRCZPKDXPRAKM-GOSISDBHSA-N 314.473 3.441 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1Cc2ccccc2C(=O)O1 7471259 LSXHPCDPJVUSOD-HNNXBMFYSA-N 315.756 3.369 0 40 DGAB Cc1cccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 8015986 TVNYLUNWDBHPKD-YSKGHYERSA-N 322.364 3.366 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(Oc3ccc(F)cc3)cn2)cn1 69419358 NPSPRORJUGFSLJ-UHFFFAOYSA-N 324.315 3.364 0 40 DGAB CC[C@@H](C)N(C)CCNC(=O)N(Cc1ccccc1F)C1CC1 72093829 XZQOSTYXECKOTF-CQSZACIVSA-N 321.440 3.230 0 40 DGAB Clc1ccc(-c2cnc(CN3CCn4ccnc4C3)o2)cc1 97201439 AQUGTHGTSKBWEA-UHFFFAOYSA-N 314.776 3.207 0 40 DGAB Cc1ccccc1CCNC(=O)N1CCc2sccc2C1 78437869 BPMJHCDDLFAQKT-UHFFFAOYSA-N 300.427 3.367 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@@]2(CCOC2)C1 95410560 WRLRPLBQCWQTLF-IEBWSBKVSA-N 314.429 3.350 0 40 DGAB COc1ccccc1CCNCc1ccc(-n2ccnc2)cc1 98078663 XDBYTLUVUHNZJY-UHFFFAOYSA-N 307.397 3.213 0 40 DGAB O=C1CSc2ccc(-c3nc(Cc4ccccc4)no3)cc2N1 74120528 MFHZLMLUWAQHOY-UHFFFAOYSA-N 323.377 3.372 0 40 DGAB CN(CC1CCC1)C(=O)c1ccc(NC(=O)c2ccco2)s1 89340252 JLKZOBPOTZBDQG-UHFFFAOYSA-N 318.398 3.466 0 40 DGAB O=C(CCc1nc2ncccc2[nH]1)Nc1cccc2ncccc12 79479351 LLDVORBCFNSYFM-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB CCc1nc(CNc2cc(N3CCCC3=O)ccc2Cl)no1 86207889 NVQSGRWRMRELDW-UHFFFAOYSA-N 320.780 3.024 0 40 DGAB COc1ccc([C@@H](C)NCCc2nc(C(C)C)no2)c(OC)c1 89577290 JYFCZCPRMHRCEK-GFCCVEGCSA-N 319.405 3.104 0 40 DGAB Cc1cc(=O)c(C(=O)N2CCC(=Cc3ccccc3)CC2)c[nH]1 89568414 JEARRCJXBAGYHH-UHFFFAOYSA-N 308.381 3.003 0 40 DGAB Oc1c(F)cc(CNc2ccc(-n3ccnc3)cc2)cc1F 89793149 GPIXOWJAMZYYQI-UHFFFAOYSA-N 301.296 3.468 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](c2cn[nH]c2)C1 89851114 MDPSJUCOPDEISO-CQSZACIVSA-N 322.368 3.085 0 40 DGAB Cc1ccc([C@@H](O)CN[C@@H](C)CC(=O)Nc2ccccc2)cc1 75572713 MVYIVVBGOJMVDA-YJBOKZPZSA-N 312.413 3.035 0 40 DGAB NC(=O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21 27696820 LUYKQTDXKSVSHV-UHFFFAOYSA-N 315.376 3.266 0 40 DGAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1F 36635713 VLUQINKMOLUBPD-CYBMUJFWSA-N 318.735 3.223 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1F 32585500 AJCNAJSIJLBRKG-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB C[C@@](O)(CCc1ccccc1)CNC(=O)Nc1cccs1 62021520 JODZLDAKUVBQST-MRXNPFEDSA-N 304.415 3.253 0 40 DGAB CC(C)c1c(-c2ccc3c(c2)OCCCO3)n[nH]c1C(=O)O 72220429 CMORCGCGEZPSFK-UHFFFAOYSA-N 302.330 3.060 0 40 DGAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2cccnc2)n1 72378642 UANVUJILONMTSA-SFHVURJKSA-N 319.412 3.308 0 40 DGAB NC(=O)c1cn(C(=O)Cc2ccc(Cl)cc2)c2ccccc12 216951966 QOUQVCXCBKUGMP-UHFFFAOYSA-N 312.756 3.277 0 40 DGAB COc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)c(C)n1 72218116 KMAZCRWZMDDWQR-UHFFFAOYSA-N 322.405 3.276 0 40 DGAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1 41095317 GJPMZWITNVXPBA-XJKSGUPXSA-N 311.447 3.332 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)N[C@H](C)CC 225169176 NSUHDTKPZRETJJ-CHWSQXEVSA-N 324.852 3.382 0 40 DGAB CCCNC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 224782634 CZHZRUCTCAXYJJ-QINSGFPZSA-N 314.410 3.045 0 40 DGAB O=C(c1ccc2c(c1)COCO2)N(Cc1ccsc1)C1CC1 81011806 QKRCFWMJMPGKSP-UHFFFAOYSA-N 315.394 3.419 0 40 DGAB C[S@@](=O)c1ccc(CNCCc2ccc(F)cc2F)cc1 85323473 WZEDDQXBRWWAJS-NRFANRHFSA-N 309.381 3.035 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225130948 IZVMMCDXABGCMC-JKSUJKDBSA-N 318.461 3.427 0 40 DGAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCCCC1 225438818 WXHCKNYKNGGSMG-LBPRGKRZSA-N 300.358 3.021 0 40 DGAB biogenic,in-vitro CC1CCN(c2ccc(-n3cnnc3)cc2Br)CC1 226276011 OBKOINBQDMXUSK-UHFFFAOYSA-N 321.222 3.266 0 40 DGAB CCc1nc2c(s1)[C@@H](N(C)C(=O)Nc1cnns1)CCC2 192337841 DVJIIHPPZMJJBM-VIFPVBQESA-N 323.447 3.098 0 40 DGAB CCC(=O)Nc1nnc(CCOc2ccc(Cl)cc2)s1 95116486 VPOYAHAQLAZBIJ-UHFFFAOYSA-N 311.794 3.162 0 40 DGAB C[C@@H](NCCn1c(=O)oc2cccnc21)c1cc2ccccc2o1 97374209 PTUWYNLSVOCCJS-GFCCVEGCSA-N 323.352 3.087 0 40 DGAB Cc1cccc(OC[C@H](O)CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 245239734 BDHQHVKEOGPBOF-DIKXUDHVSA-N 303.446 3.149 0 40 DGAB Cc1nc(C2CCCCC2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1O 585082313 AZRGXGHGCTVBHS-ZIAGYGMSSA-N 322.474 3.485 0 40 DGAB C[C@H](CC(=O)N1CC[C@H](c2ncc[nH]2)C1)Cc1cccc(F)c1 585126732 GYVFWKSIEHSZQB-ZFWWWQNUSA-N 315.392 3.134 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)Cc2ccc(C)s2)n1 257334216 YFBDKPODPHXXEC-AWEZNQCLSA-N 303.431 3.005 0 40 DGAB Cn1nc(C(F)(F)F)cc1CNCc1cc(F)cc(F)c1 256049946 CAZDCBSTXWUMSV-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB CC(C)(C)SCCN1CCC[C@H](CNC(=O)C(C)(C)C)C1 252478505 AOGJBFMMWKUZDP-CQSZACIVSA-N 314.539 3.392 0 40 DGAB COc1ccc(C)cc1CN1[C@H](C(=O)O)C[C@@H]2CCCC[C@@H]21 262048950 CRBAAXXEXWJXSY-BPUTZDHNSA-N 303.402 3.221 0 40 DGAB COc1ccccc1CC(=O)NCc1ccc(-c2ccoc2)nc1 390828900 CDDQLUBQSUGXEO-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB Cc1ccccc1NC(=O)N[C@H](C)CN1C[C@@H](C)C[C@H](C)C1 56519862 PQLRPXQFTIYGNH-OFQRWUPVSA-N 303.450 3.483 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)Cn2cncn2)c(C)c1 62640058 QKKLATGNOQVXHF-LBPRGKRZSA-N 304.419 3.116 0 40 DGAB CC1(c2ccccc2)CCC(NC2(CCO)CCOCC2)CC1 92176804 QGLJGUVZISBTGD-UHFFFAOYSA-N 317.473 3.408 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NC1CCSCC1 96479051 BVSOUDSQZHHPBC-YJBOKZPZSA-N 304.503 3.382 0 40 DGAB O=c1[nH]c(CSc2nc3ccccc3[nH]2)nc2ccsc12 5263166 GVQWQNFYMZSGHP-UHFFFAOYSA-N 314.395 3.153 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3cn[nH]c3c2)cc1 5827498 NHSNLYXPGCPQQS-UHFFFAOYSA-N 315.398 3.487 0 40 DGAB COc1ccc(OC)c(CNc2n[nH]c3nc(C)cc(C)c23)c1 12154392 GSPKRXIYJLOLKM-UHFFFAOYSA-N 312.373 3.204 0 40 DGAB COCCNc1ncc(-c2ccsc2)c(-c2nccs2)n1 12327297 SABMAMFXSCHCNG-UHFFFAOYSA-N 318.427 3.387 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@@H](c2n[nH]c3ncccc23)C1 13266710 ZKXJHGRNGXKUHX-UONOGXRCSA-N 310.401 3.020 0 40 DGAB O=C(COc1cccc(F)c1)Nc1ccccc1N1CCCC1 3618653 ICOJWTOAWZHHQI-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB CCc1cc(C(=O)O[C@@H](C(N)=O)c2ccccc2)sc1C 21299370 SXNPQHPWZKOFDD-CQSZACIVSA-N 303.383 3.002 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@H]3C2=O)cc1Cl 100084175 UAVBADNMGQAKFD-YGNQVGSDSA-N 313.784 3.206 0 40 DGAB COc1cccc([C@@H]2NC(=O)c3c(sc4c3CCCC4)N2)c1 565704 XWJYEEBHHXYRET-OAHLLOKOSA-N 314.410 3.490 0 40 DGAB NC(=O)Nc1cccc(NC(=O)CCc2ccc(F)c(F)c2)c1 40079903 JZWUMRBWNUWURK-UHFFFAOYSA-N 319.311 3.027 0 40 DGAB COc1ccc(OCC(=O)N2CCCc3ccc(F)cc32)cc1 40117189 VBLUVGHZIGLFMN-UHFFFAOYSA-N 315.344 3.193 0 40 DGAB O=C(/C=C/c1nccs1)NCc1ccccc1OC(F)F 40554687 AQSVWAFBJYYWEE-AATRIKPKSA-N 310.325 3.074 0 40 DGAB Cc1ccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 105127 AATJFFJZXDUIAL-DLBZAZTESA-N 306.365 3.165 0 40 DGAB biogenic Cc1ccc(OCCCSc2nc3c(c(=O)[nH]2)CCC3)cc1 11905483 CUZGAZRXGLLVDC-UHFFFAOYSA-N 316.426 3.128 0 40 DGAB CCc1ccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)cc1 12062864 JWVJLOXUWCQNML-UHFFFAOYSA-N 319.364 3.047 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1OC 3611655 YFMSYGBKKQDOSI-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104647 GJIBJVBLAWRXQL-FBMYKKSQSA-N 316.441 3.448 0 40 DGAB biogenic,in-vitro CCC(=O)Nc1ccc(NC(=O)Nc2cc(C)nn2C)cc1C 52797758 CGIIEDRSTFERAJ-UHFFFAOYSA-N 315.377 3.029 0 40 DGAB CCCc1cc(C(=O)OCC(=O)Nc2cc(C)on2)sc1C 4928725 JDTURVRQTDDVMM-UHFFFAOYSA-N 322.386 3.101 0 40 DGAB CC1(C)[C@@H](C(=O)O)CC[C@@]1(C)C(=O)NCc1ccc(Cl)cc1 6263480 AYNJJXTYXMESPL-DYVFJYSZSA-N 323.820 3.483 0 40 DGAB O=Cc1ccc(-c2ccc(S(=O)(=O)O)cc2C(F)(F)F)o1 57327575 IKPQONPVQVTNJX-UHFFFAOYSA-N 320.244 3.025 0 40 DGAB CCc1ccc(O)c(NC(=S)NC(=O)/C=C/c2ccco2)c1 555945 DCLWVDXTPHRQSL-SOFGYWHQSA-N 316.382 3.074 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O 101275705 YZEQMNYHBZWGSM-OAHLLOKOSA-N 312.344 3.132 0 40 DGAB O=C(Nc1nonc1-c1ccc2c(c1)CCCC2)c1ccco1 9419824 HKEGWTIQNJFMHG-UHFFFAOYSA-N 309.325 3.461 0 40 DGAB CC(C)c1noc(CSc2nc(-c3cccs3)n[nH]2)n1 23078306 JEDCJVNTGYIHNS-UHFFFAOYSA-N 307.404 3.332 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 23607943 NFVMVOMHVVSMSE-UHFFFAOYSA-N 301.415 3.000 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCc1cccnc1 24588501 HGBQKWKVYJDGOT-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB Cc1nc2ncc(C(=O)N(C)[C@@H](C)Cc3cccs3)cc2[nH]1 97108226 OVLFSCITBVTOPY-JTQLQIEISA-N 314.414 3.031 0 40 DGAB Cc1cc(N)nc(SCc2cc(Cl)c3c(c2)OCCO3)n1 24835506 AVXGRJXGYXSOIH-UHFFFAOYSA-N 323.805 3.084 0 40 DGAB Cc1nc(C)c([C@@H](C)N(C)C(=O)c2ccc3[nH]cnc3c2)s1 106923094 SLWCDZHKGZNJKT-SNVBAGLBSA-N 314.414 3.469 0 40 DGAB O=C(NCCc1ccccn1)c1csc(-c2ccccc2)n1 12527357 SDVKAVWBTOSRRQ-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB CCN(C(=O)COC(=O)/C=C/c1ccccc1)C1CCCCC1 3247458 YADGQJFLNSZIHW-BUHFOSPRSA-N 315.413 3.424 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nc2c(s1)CCCCC2 44894796 IXOKCUYVOUMGHS-UHFFFAOYSA-N 305.403 3.198 0 40 DGAB O=C(OCC(=O)c1cccs1)c1ccc(Br)o1 3217693 CYRZGGPCGDXXRL-UHFFFAOYSA-N 315.144 3.143 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccc(C)cc23)cc1 2242247 RKBIJCCREPDILR-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB biogenic CC(C)n1ncc2cc(NC(=O)c3cc(Cl)ccn3)cnc21 12615219 GYFYVMQRAWHQPX-UHFFFAOYSA-N 315.764 3.313 0 40 DGAB CCCCc1nnc2sc(COc3ccccc3OC)nn12 11278209 SVDXQHPUJSIHOX-UHFFFAOYSA-N 318.402 3.116 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1C 36755260 ROHZCJKZGUEITD-GOEBONIOSA-N 314.429 3.057 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1cccc(F)c1 29263790 APKXKWQMOUSECO-UHFFFAOYSA-N 312.344 3.314 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1C 3443546 BKHGRJJMLFTCQM-OAHLLOKOSA-N 311.381 3.338 0 40 DGAB Cc1cccc(NC(=O)NCCCNC(=O)C2CCC2)c1Cl 97099224 QOABATAQIQQHGF-UHFFFAOYSA-N 323.824 3.076 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)N(C)CCOc1ccccc1F 12937871 VBPUWZNSIADMKU-CQSZACIVSA-N 316.376 3.164 0 40 DGAB COc1cccc(NC(=O)NC[C@@H](CC(C)C)N2CCCC2)c1 12910911 XCXCKRWPSYZSCL-MRXNPFEDSA-N 319.449 3.327 0 40 DGAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1F 17727860 NBWKRCPNKQBKLZ-MRXNPFEDSA-N 313.328 3.002 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)s1 69739763 YKKMBFJDBIQFAE-RBSFLKMASA-N 315.442 3.257 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccc(C)o2)cc1 48909018 NEPLUOGASGVCMI-GFCCVEGCSA-N 314.385 3.046 0 40 DGAB CC(C)Oc1ccc(CNC(=O)/C=C/c2cccnc2)cc1F 69893679 PMHWTFGLBMLEIP-SOFGYWHQSA-N 314.360 3.338 0 40 DGAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736488 BYKDDIJYKRWSCA-SNVBAGLBSA-N 320.776 3.337 0 40 DGAB COc1ccccc1-c1noc(CCc2nc3ccccc3[nH]2)n1 9421167 MBGLRVGHIHHEHC-UHFFFAOYSA-N 320.352 3.407 0 40 DGAB CCC(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cn1 65622362 BPJHNMOZOUVTKA-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)cc2F)c2c(C)noc2n1 14204743 RPFOUMWPNIPENG-UHFFFAOYSA-N 303.268 3.370 0 40 DGAB CNS(=O)(=O)c1ccc(-c2cc(C)c3ccccc3n2)cc1 15453912 IPPZDHOCUJDCKJ-UHFFFAOYSA-N 312.394 3.118 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3sccc3C)C2)no1 67888458 PFAZESWMFHOSMA-NSHDSACASA-N 305.403 3.022 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@H]1c1ccc(Cl)cc1 7552539 IDXDXCKNAQLTNE-AWEZNQCLSA-N 320.776 3.016 0 40 DGAB Nc1nc(COC(=O)c2cc3ccccc3[nH]2)nc2ccccc12 8162603 WJXRNXCOHVSZAG-UHFFFAOYSA-N 318.336 3.050 0 40 DGAB CCC[C@H](C)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 69118704 ZZZKPBFZAJAWRS-VIFPVBQESA-N 305.403 3.259 0 40 DGAB O=C(O)[C@@H]1CCCCN1C(=O)c1cc2c(s1)CCCCC2 8274425 JLUASDQBDSOCRJ-LBPRGKRZSA-N 307.415 3.096 0 40 DGAB CN(C[C@H]1CCCO1)C(=O)N[C@H]1CCSc2c(F)cccc21 71796082 VAUBKDOQEOWBOF-RISCZKNCSA-N 324.421 3.183 0 40 DGAB CCN(CC(F)(F)F)C(=O)Cc1ccc(OC(F)F)cc1 97263597 POVWGPIWMBMRSR-UHFFFAOYSA-N 311.250 3.241 0 40 DGAB O=C(c1cn(C2CCCCC2)nn1)N1CC[C@@H]2CCCC[C@@H]21 97212594 CTBDXXXCXMCCEM-BBRMVZONSA-N 302.422 3.188 0 40 DGAB Cc1ccc(NC(=O)N2CCN(Cc3ncccc3C)CC2)cc1 97238513 BWFLWDUAXSUINS-UHFFFAOYSA-N 324.428 3.048 0 40 DGAB Cc1ccc(CCC(=O)NC(C)(C)C(=O)Nc2ccccc2)o1 78971367 OVYUJRSOFRKDQG-UHFFFAOYSA-N 314.385 3.054 0 40 DGAB c1ccc(CCc2nnc3sc(-c4ccccn4)nn23)cc1 9531619 DUJCGROHDQUVLU-UHFFFAOYSA-N 307.382 3.033 0 40 DGAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CC[C@H]1c1ccccc1 71827030 OTXQMEFLURICLZ-ROUUACIJSA-N 321.424 3.272 0 40 DGAB CCn1cc(C(=O)NC2CC=CC2)c(=O)c2cc(Cl)ccc21 97376037 YVHPMIOSAKIKFO-UHFFFAOYSA-N 316.788 3.123 0 40 DGAB CCc1noc([C@@H](C)N2CC=C(c3cccc(OC)c3)CC2)n1 83830462 LMCKVXDSNTVMGI-CYBMUJFWSA-N 313.401 3.491 0 40 DGAB O=C(Nc1nc[nH]n1)c1cc2cc(C(F)(F)F)ccc2s1 79481849 KLTIHWGZNYHDFW-UHFFFAOYSA-N 312.276 3.291 0 40 DGAB CCCc1cc(C(=O)N[C@@H]2CC[C@@H](C(=O)OCC)C2)sc1C 95418760 UORJDTYPXLDRKZ-ZIAGYGMSSA-N 323.458 3.471 0 40 DGAB Cc1nc(C)c(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)o1 73846511 KHIIHROKUKSCSN-CQSZACIVSA-N 302.349 3.135 0 40 DGAB CN(Cc1ccncc1)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 88620560 WWCUJYZLVBMRBV-PXNSSMCTSA-N 321.424 3.127 0 40 DGAB Cc1c(NC(=O)N(C)[C@H]2CCSC2)cnn1CCC(C)C 95975324 UNQANAQINGBCEB-ZDUSSCGKSA-N 310.467 3.207 0 40 DGAB O=C(N1CC[C@H](CN2CCCCC2)C1)C1(c2ccccc2)CC1 89827691 NWEWOCUILABQFM-QGZVFWFLSA-N 312.457 3.053 0 40 DGAB CC(C)=CC(=O)O[C@H](C)C(=O)N[C@@H](C)CCc1ccccc1 32909999 MAYSGQHVEAJCNK-LSDHHAIUSA-N 303.402 3.022 0 40 DGAB Cc1nc(-c2ccncc2)sc1C(=O)NCc1ccccc1 31868043 RCUWPSHJWUPJLD-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB COc1ccc(-c2ccc(OC(=O)c3ccccc3)nn2)cc1 408532538 ZMUQIKGYQAUSLY-UHFFFAOYSA-N 306.321 3.371 0 40 DGAB O=C(c1cccc2c[nH]nc12)N1CCC[C@H](Nc2ccccc2)C1 531679866 FLVQQHMOEWWCJA-INIZCTEOSA-N 320.396 3.280 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 72331152 JWZQTVJMBAQHAQ-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB O=C(Cc1ccc(F)cc1)NC[C@H](O)c1cccc2ccccc12 70635965 WMZYVJOKQKVYBA-IBGZPJMESA-N 323.367 3.371 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 74949330 MMIRFBVFQOWMNT-UHFFFAOYSA-N 318.760 3.090 0 40 DGAB O=C(c1cscn1)N1CC[C@H](Cc2cccc3cccnc23)C1 72368662 FHJHZWFMQUFHSK-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB CC[C@@]1(C)Oc2ccc(NC(=O)CCCn3ccnc3)cc2O1 135263927 UXCFJQOAFGKPJR-KRWDZBQOSA-N 315.373 3.199 0 40 DGAB CO[C@@H](CNC(=O)N[C@H](C)c1c(C)noc1C)c1ccccc1 73043161 VTHIQIRPICWRCB-ABAIWWIYSA-N 317.389 3.039 0 40 DGAB CCCCc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 46119549 DUGHUQWACXVDKO-OAHLLOKOSA-N 302.418 3.225 0 40 DGAB CCOc1ccccc1CCCNC(=O)Cc1cccs1 223927541 BBEOWQGXZBTTOY-UHFFFAOYSA-N 303.427 3.438 0 40 DGAB O=C(c1ccc(CN2CCOCC2)cc1)c1cc(F)cc(F)c1 43210869 PQRVOJLJHLTZHY-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB CC(C)C[C@H](NC(=O)c1cccs1)c1n[nH]c(=S)n1C 85400218 FZRPHMBSDXCBPM-VIFPVBQESA-N 310.448 3.056 0 40 DGAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225794619 ZFIZNOBONLUFGZ-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@H](C)O[C@@H](C)C3)c2cc1C 20358065 OQIVGHKRWFUAMN-KBPBESRZSA-N 301.386 3.019 0 40 DGAB biogenic Cc1cccnc1NC(=S)NCCCN1C[C@@H](C)C[C@@H](C)C1 225731567 HTBMTWOFDIBXIQ-OKILXGFUSA-N 320.506 3.044 0 40 DGAB COC1(CNC(=O)/C=C/c2ccccc2)Cc2ccccc2C1 225718686 YTPILFTWNXHXII-VAWYXSNFSA-N 307.393 3.000 0 40 DGAB C[C@H](N[C@@H](C)c1cccc(O)c1)c1ccc(-n2ccnn2)cc1 194938286 UQQAUDWSBUVHQU-KBPBESRZSA-N 308.385 3.385 0 40 DGAB CCOC(=O)N[C@@H]1CCCN(Cc2cnc3ccsc3c2)C1 96489784 IGKMQMVRIJJJJV-CYBMUJFWSA-N 319.430 3.007 0 40 DGAB CN(C)C(=O)[C@@H]1CCC[C@@]12CCN(Cc1cc(F)ccc1F)C2 248009327 PAPNJUCNURORGR-YJBOKZPZSA-N 322.399 3.045 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)C2(c3ccccn3)CC2)cc1 585121872 DKUUYKAPQDXUGC-UHFFFAOYSA-N 324.424 3.259 0 40 DGAB CC[C@@H](C)n1nccc1CNCCc1ccc(OC)c(OC)c1 256049959 CBQIYSIMQKRQAM-CQSZACIVSA-N 317.433 3.204 0 40 DGAB O=C(NCc1ccoc1)Nc1cccc(OC[C@H]2CCCO2)c1 47862113 GUFUAXFXQUJIBE-MRXNPFEDSA-N 316.357 3.159 0 40 DGAB Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)c(Cl)c1 20018030 WLGLMOOOFGAYSX-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB in-vitro CCOC(=O)Cc1csc(NN=Cc2ccc(Cl)cc2)n1 15924388 ZOLVVOAWGVGXDU-UHFFFAOYSA-N 323.805 3.348 0 40 DGAB O=C(CC(=O)C(F)(F)F)Nc1ccc(OC(F)(F)F)cc1 100645486 AVBHFWYURYYLDD-UHFFFAOYSA-N 315.169 3.045 0 40 DGAB CC(C)[C@@H](Cn1nccn1)NC(=O)c1ccc(C(C)(C)C)cc1 238919886 SWUICISPNFKOGP-MRXNPFEDSA-N 314.433 3.030 0 40 DGAB O=C(Nc1cccc2c1CCCC2)[C@H]1COc2ccccc2O1 213536 QQKTUYTXRZXASQ-GOSISDBHSA-N 309.365 3.344 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2cc(C3CCC3)ncn2)C1 1889096204 DVULSNKZHYQEOA-OAHLLOKOSA-N 310.401 3.105 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccsc3)CC2)c(OC)c1 1889136155 IFQBQVYVCDIDMN-UHFFFAOYSA-N 317.410 3.227 0 40 DGAB Cc1ccccc1NC(=O)N1CC[C@@H]2CN(c3ccccn3)C[C@H]21 1889145824 VTGZQUVQCXIJNV-NVXWUHKLSA-N 322.412 3.133 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCO[C@@H](c2ccccc2)C1 27907192 ATYNMQBBFCCUEV-GOSISDBHSA-N 306.365 3.382 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCc1ccc(F)cc1 4163555 HLBDWXFRCCMMND-UHFFFAOYSA-N 310.328 3.115 0 40 DGAB COc1cccc2sc(N(Cc3cccnc3)C(C)=O)nc12 5142103 MKCIAFZHIXUWBZ-UHFFFAOYSA-N 313.382 3.253 0 40 DGAB Cc1ccsc1CCC(=O)N1CCC[C@@H](c2cnn(C)c2)C1 1775965380 AOAZHMXGKOANRK-CQSZACIVSA-N 317.458 3.129 0 40 DGAB C[C@](O)(CNC(=O)C1CCC1)c1ccc(-c2ccccc2)cc1 75155363 CBJJCISWKPLIDZ-FQEVSTJZSA-N 309.409 3.477 0 40 DGAB CCOc1ncccc1CNC(=O)Nc1ccc(C)cc1F 40098490 CINXICPZFPBWPQ-UHFFFAOYSA-N 303.337 3.250 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCN(c2ccccc2)CC1 171275 QGFFTTXUBHSNQB-UHFFFAOYSA-N 317.392 3.197 0 40 DGAB COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)OC(C)C)cc1 135965 DDVHRCATRXRXNH-JKSUJKDBSA-N 317.385 3.168 0 40 DGAB COc1ccc2c(c1)c(C(=O)CNc1nccs1)c(C)n2C 117576 JHSFKLMLVPPWNU-UHFFFAOYSA-N 315.398 3.247 0 40 DGAB CCc1ccccc1NC(=O)CSc1nnc(C(C)C)n1C 412583 LGRJYLZSKSYEHF-UHFFFAOYSA-N 318.446 3.232 0 40 DGAB O=C(Cn1cc(C(F)(F)F)ccc1=O)c1cc2ccccc2o1 9514946 NHVRPDBBFQADNA-UHFFFAOYSA-N 321.254 3.496 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)NC1CCCCC1 32765528 KJOTUJQNMNQNMT-MDWZMJQESA-N 312.413 3.041 0 40 DGAB CC[C@H](C)NC(=O)Nc1cccc(I)c1 32862235 CBQVZLOTFULSMU-QMMMGPOBSA-N 318.158 3.211 0 40 DGAB Cc1csc(NC(=O)c2ccn(-c3ccc(F)cc3)n2)n1 32833159 LDMSXDZSOLIWPG-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB CCc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 2692763 LMOUBDIARJODQH-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CSc1ccccc1 3499574 PRRSJGPPHSXMNG-HIFRSBDPSA-N 321.442 3.017 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(-c3cccnc3)on2)cc1 32926721 LWZPXZXAUIEZPI-UHFFFAOYSA-N 323.352 3.017 0 40 DGAB Cc1ccnc2nc(C(=O)OCc3ccc(C(C)(C)C)cc3)nn12 7562889 WDQYEMRMDPSXSH-UHFFFAOYSA-N 324.384 3.087 0 40 DGAB C[C@H](NC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1)[C@@H]1CCCO1 71880081 OLQILDZXUNELPZ-KEYYUXOJSA-N 317.433 3.222 0 40 DGAB O=C(CCNC(=O)c1ccoc1)Oc1ccc2ccccc2c1 33146891 CGDJREVXMOSGJR-UHFFFAOYSA-N 309.321 3.158 0 40 DGAB Cc1ccc(C)c(NC(=O)C[C@H]2Nc3ccccc3OC2=O)c1 10325511 NYOZFYLBRGCXAQ-OAHLLOKOSA-N 310.353 3.032 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CCCc2nc(C(C)(C)C)no2)C1 41749160 JDJNMAQZHYYUJB-CHWSQXEVSA-N 307.438 3.194 0 40 DGAB CC[C@H](C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1 22618298 JNJKMMWIUCJEBP-INIZCTEOSA-N 311.381 3.268 0 40 DGAB Cc1ccc(SCC(=O)NCCSc2ccccn2)cc1 20239989 KGCUICSTKJFOFS-UHFFFAOYSA-N 318.467 3.391 0 40 DGAB Cc1ccc(N2C(=O)Nc3ccccc3S2(=O)=O)cc1C 2692505 LETYOIPTQCDVFX-UHFFFAOYSA-N 302.355 3.044 0 40 DGAB CC(C)CCC(=O)Nc1ccc(OCc2nccn2C)cc1 42708700 RHHUZSWQTFCMSN-UHFFFAOYSA-N 301.390 3.374 0 40 DGAB COC(=O)c1c(NC(=O)[C@@H]2C[C@@H]3CC[C@@H]2C3)sc2c1CCC2 101384007 UYDGUDMMEGWQTI-CKYFFXLPSA-N 319.426 3.398 0 40 DGAB CC(=O)Nc1nc(CSc2nc3ccccc3[nH]2)cs1 24904484 RKAPJPGEYACYHG-UHFFFAOYSA-N 304.400 3.270 0 40 DGAB CCc1ccccc1NC(=O)c1cc([N+](=O)[O-])ccc1C(=O)O 108032038 KAEKDQYJPDZGGC-UHFFFAOYSA-N 314.297 3.108 0 40 DGAB C[C@@H]1CN([C@H](C)c2nc(C3CC3)no2)C[C@H](c2ccccc2)O1 106831253 CICNYBGRVODDJZ-XJKCOSOUSA-N 313.401 3.470 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)Cc2cccc(F)c2)c1 25278464 QWBHDRNYOHYBIT-UHFFFAOYSA-N 324.359 3.285 0 40 DGAB CCCNC(=O)c1nc(C)n(-c2cc(Cl)ccc2Cl)n1 3111148 LEOAIUGOFVMRMV-UHFFFAOYSA-N 313.188 3.022 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)/C=C/c1cccnc1 57252897 IUKIBYKXOCZDNI-SCOAYWHSSA-N 324.428 3.240 0 40 DGAB Cc1ccccc1CN[C@H](C(=O)NC1CC1)c1ccc(F)cc1 57541935 BJIJGGVBXNNMKJ-SFHVURJKSA-N 312.388 3.244 0 40 DGAB c1cc(CCN2CCC(CN3CCCCCC3)CC2)ccn1 57890475 SHCKZIDNTULPNQ-UHFFFAOYSA-N 301.478 3.212 0 40 DGAB CSc1ncccc1C(=O)N[C@@H](C)c1ccc2c(c1)OCO2 44895023 GNSUFKJZQQGHDX-JTQLQIEISA-N 316.382 3.023 0 40 DGAB C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cn2)C1=O 100162314 ZSLFTWJRUNIOKC-BXUZGUMPSA-N 314.772 3.418 0 40 DGAB CC(=O)Nc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1 58232222 JUAXHYWTKUQUEY-QGZVFWFLSA-N 318.804 3.122 0 40 DGAB CCOc1ncccc1CNC(=O)N(C)[C@H](C)c1cccs1 44968874 WPDFFKJISYWSRT-GFCCVEGCSA-N 319.430 3.444 0 40 DGAB Cc1ccccc1-c1ccc(CN2CCN(C)[C@H](CCO)C2)cc1 36379400 LOZMAUVVWDBWMB-HXUWFJFHSA-N 324.468 3.160 0 40 DGAB COc1ccc2c(ccn2S(=O)(=O)c2ccc(C)cc2)c1 36422049 SWJXHHMYYCPWLX-UHFFFAOYSA-N 301.367 3.195 0 40 DGAB in-vitro CC[C@H](CO)n1c(SCC(C)C)nc2ccccc2c1=O 11471660 KBAHIZKTGMAQEP-GFCCVEGCSA-N 306.431 3.088 0 40 DGAB Cn1ccc(NC(=O)c2cccc3c4c([nH]c23)CCCCC4)n1 12929928 PXTGWZBPDBTKHQ-UHFFFAOYSA-N 308.385 3.423 0 40 DGAB CCC(=O)OCc1csc(CC(=O)Nc2ccc(C)cc2)n1 6011162 JQCZKVOJRMOODA-UHFFFAOYSA-N 318.398 3.086 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)c2c[nH]c3ccccc23)no1 65568041 NLJXIVQOULFXIZ-QGZVFWFLSA-N 309.369 3.484 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc2ccccc2c1 14185685 HIXIWOZUOYCAKU-UHFFFAOYSA-N 303.321 3.262 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1cnc2c(C)cccn12 72298472 FGSQNCAXCQZJRG-MRXNPFEDSA-N 309.417 3.026 0 40 DGAB O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1ccncc1 66266950 FRJWUYXSSNTZQB-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB CSC[C@H](C)C(=O)N1CCn2cccc2[C@H]1c1ccccc1 66758308 JVZBXTDMXCCHDA-WMLDXEAASA-N 314.454 3.419 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1ccc(F)cc1F 4902000 OATSSZALYMWGFF-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB Cc1ccc2c(COC(=O)COc3ccccc3)cc(=O)oc2c1 6933207 LFJWCZVUNYZNIG-UHFFFAOYSA-N 324.332 3.224 0 40 DGAB O=C(Nc1cccc(SC(F)F)c1)NC1CCC(O)CC1 67355991 PYJZSVKPITWBEC-UHFFFAOYSA-N 316.373 3.426 0 40 DGAB CCn1ccnc1/C=C/C(=O)O[C@H](C)c1cccc(OC)c1 96006870 IHCLAOJNNFAFOC-MMQHEFTJSA-N 300.358 3.229 0 40 DGAB Cc1nc(CNC(=O)[C@@H](C)Oc2ccccc2Cl)cs1 15832246 YFUYIFJQNZKVGX-SECBINFHSA-N 310.806 3.189 0 40 DGAB c1ccc(NCCNc2ncnc3c2oc2ccccc23)nc1 9365392 UQRDJGFFWZXQBA-UHFFFAOYSA-N 305.341 3.295 0 40 DGAB C[C@H](N[C@H]1CCO[C@@H]1C)c1ccc(OC2CCOCC2)cc1 90940288 GSMNSNJKZJZXIU-IYOUNJFTSA-N 305.418 3.072 0 40 DGAB Cc1ccc(C)c(C(=O)Cn2cnc3cc(F)ccc3c2=O)c1 8485711 VFEUDVZMMLIELO-UHFFFAOYSA-N 310.328 3.035 0 40 DGAB Cc1ccc(C(=O)O[C@H](c2nccn2C)C(F)(F)F)s1 8425270 VLZRESUNLZIXRQ-SECBINFHSA-N 304.293 3.250 0 40 DGAB COc1ccc(-c2noc(-c3ccccc3NC(C)=O)n2)cc1 8555384 BOTAMTRJYCQVCS-UHFFFAOYSA-N 309.325 3.371 0 40 DGAB COc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)OC(C)(C)C 72314080 OFRCEBYDHILDPZ-CYBMUJFWSA-N 320.389 3.033 0 40 DGAB CNC(=O)c1cccnc1N1C[C@@H](c2ccccc2C)C[C@@H]1C 78294483 VDXUVNRDBJLBAP-GJZGRUSLSA-N 309.413 3.132 0 40 DGAB O=c1[nH]c2ccccc2nc1CN1CCC[C@H]1c1ccc(F)cc1 97201327 FECWMRYQJNWWBC-SFHVURJKSA-N 323.371 3.399 0 40 DGAB COc1ccc2c(c1)OCC[C@@H]2NCc1cccc2cn[nH]c12 95409423 OMZMATCEILCTDV-INIZCTEOSA-N 309.369 3.185 0 40 DGAB CO[C@@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)nc1 95412282 SLCPSCONXUPUPB-DLBZAZTESA-N 303.450 3.119 0 40 DGAB COc1ccccc1-c1noc(COc2ccccc2C=O)n1 22120716 NLKNWZONDWPBJM-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB CC(C)(C)OC(=O)CCCNCc1cccc2cccnc12 95405183 LUPBOQPQTZSLKM-UHFFFAOYSA-N 300.402 3.446 0 40 DGAB CS[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426193 MTDXJJSFTJWELA-MGPQQGTHSA-N 312.479 3.062 0 40 DGAB CCS[C@H]1CCC[C@H]1NC(=O)Nc1nnc(C2CC2)s1 84811997 LURLTOGJIOGRFR-ZJUUUORDSA-N 312.464 3.211 0 40 DGAB CCc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)o1 95989328 JSTDHVPBOWQONJ-CQSZACIVSA-N 319.332 3.235 0 40 DGAB c1ccc([C@H]2CN(c3ccc4nccnc4n3)CCS2)cc1 95973038 PJBBOGQHUHBPJF-OAHLLOKOSA-N 308.410 3.319 0 40 DGAB C[C@@H](C[C@@H](O)c1cccs1)NCc1ccc2c(c1)OCCO2 95978232 OQRDSJMNVSSMHR-GXTWGEPZSA-N 319.426 3.121 0 40 DGAB C[C@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1n1ccnc1 95981723 ZYTJSWGYRHMFTF-LPHOPBHVSA-N 321.428 3.152 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NC[C@H](O)c1ccsc1 89534400 FWEQVQUQTCJJTQ-AWEZNQCLSA-N 300.383 3.001 0 40 DGAB Cn1c(NC(=O)c2ccc[nH]c2=S)nc2cc(F)ccc21 75360745 LGHPDGIBCUYWAA-UHFFFAOYSA-N 302.334 3.022 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(F)c1F 89949025 MMJMPRCCRMWXRT-WBMJQRKESA-N 322.399 3.092 0 40 DGAB Cc1nnnn1-c1cccc(NC(=O)c2ccc(C(C)C)cc2)c1 41983919 ODJGDRKELXCRDL-UHFFFAOYSA-N 321.384 3.346 0 40 DGAB CC(NC(=O)Nc1ccccn1)(C(F)(F)F)C(F)(F)F 503777 IUFQQHHILFTTME-UHFFFAOYSA-N 301.190 3.086 0 40 DGAB biogenic Cc1ccsc1CNC1CCN(C(=O)c2ccoc2)CC1 30668954 SGPVPFQVRKDVDE-UHFFFAOYSA-N 304.415 3.044 0 40 DGAB O=C(O)[C@@H]1CN(Cc2ccncc2Cl)C[C@H]1c1ccccc1 515382825 ADKQKNRFPCOHIM-LSDHHAIUSA-N 316.788 3.035 0 40 DGAB COc1ccc(C(=O)NC[C@@H](OC)c2ccccc2Cl)cc1 121855982 SHYADNQZDOZVSQ-MRXNPFEDSA-N 319.788 3.466 0 40 DGAB O=C(Nc1cccc(NC(=O)C2CC2)c1)c1n[nH]c2ccccc12 31136924 UNCFGGSJQWKFEZ-UHFFFAOYSA-N 320.352 3.164 0 40 DGAB C[C@@H](NC(=O)CNc1cccc(C(F)(F)F)c1)c1ccncc1 78520094 SUJIMWBFDXWKDM-LLVKDONJSA-N 323.318 3.390 0 40 DGAB C[C@H]1CN2CCC[C@H]2CN1Cc1cc(Br)cs1 72324486 LNGDNWLXNOTMMA-JQWIXIFHSA-N 315.280 3.179 0 40 DGAB COc1cc(/C=C/C(=O)N(C)Cc2ccsc2)cc(OC)c1 32768913 QXJUMNHJVPUMQA-SNAWJCMRSA-N 317.410 3.437 0 40 DGAB O=C(NC1CCCC1)c1cc2nccc(-c3cccs3)n2n1 36612060 CNVLWGXNRYTNRR-UHFFFAOYSA-N 312.398 3.130 0 40 DGAB COc1cccc(-c2cccc([C@H]3CCCN(C(C)=O)C3)n2)c1 72357551 APUAMCPHVCGLCD-INIZCTEOSA-N 310.397 3.483 0 40 DGAB CC[C@@H]1CCCCN1C(=O)Cn1c(=O)sc2c(C)cccc21 563128126 FYVDSHYMURECCR-CYBMUJFWSA-N 318.442 3.163 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)Nc1nc2ccccc2s1 60790883 MSPAREVTIPAGKX-LLVKDONJSA-N 305.403 3.187 0 40 DGAB C[C@H](OC(=O)c1ccc(Br)o1)c1nccs1 80333825 XQHXQJMXKXOBGW-LURJTMIESA-N 302.149 3.417 0 40 DGAB CC(C)CCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C(C)C 222760007 MZPGGEKIGUUADU-INIZCTEOSA-N 318.461 3.222 0 40 DGAB COC(=O)c1cccc(NC(=S)NC(C(C)C)C(C)C)c1 225327727 OKACWJJGIBDKLX-UHFFFAOYSA-N 308.447 3.440 0 40 DGAB CCOc1ccc(C(=O)NCCOCc2ccccc2)cc1C 225144747 AGKVYFCMRKNJBM-UHFFFAOYSA-N 313.397 3.340 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1cc(C)cc(C)c1 225466066 SGBUGVYMZFHQQD-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB CCCOc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 192679484 OZRKEYHBSIOAKK-BBRMVZONSA-N 318.417 3.109 0 40 DGAB O=C(c1c[nH]c2c(F)cccc2c1=O)N1CCCc2ccccc21 41055682 OCDKQLXRIQKPQH-UHFFFAOYSA-N 322.339 3.260 0 40 DGAB CSCC[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1 575443971 FUJHVRVZQDTCJY-LBPRGKRZSA-N 321.471 3.366 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)COc1ccccc1F 40158958 VISYUURSDGTHLP-CQSZACIVSA-N 301.361 3.342 0 40 DGAB CC[C@@H](COC)NC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 195530642 ZHNBWYKJKFFDRY-KGLIPLIRSA-N 305.422 3.079 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1 97159084 MIMFTULZDJLGJX-UHFFFAOYSA-N 306.456 3.411 0 40 DGAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1cccs1 96197852 QPLYZOZSBPMBTF-INIZCTEOSA-N 317.458 3.100 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(C(=O)C3[C@H]4CCC[C@@H]34)C2)c1 96459333 IGMRORMRYMIFTP-GUPASQGTSA-N 315.413 3.066 0 40 DGAB C[C@@H](NC(=O)N1CC(C2CCCC2)C1)c1ccc2n[nH]cc2c1 584488873 QZMNBMYWGMKJMC-GFCCVEGCSA-N 312.417 3.456 0 40 DGAB O=C(c1cscn1)N1CC[C@@]2(CCCN2CC2CCCC2)C1 96071063 MSLDMNNPFVFOJF-KRWDZBQOSA-N 319.474 3.014 0 40 DGAB Cc1cc(C)c(-c2csc3nc(CCC(=O)O)nn23)c(C)c1 95095794 GLMMVZWNXJSFLA-UHFFFAOYSA-N 315.398 3.400 0 40 DGAB Clc1cccc(CN2CCOC[C@H](Oc3cccnc3)C2)c1 96113206 RNAYJHSXLOATBH-QGZVFWFLSA-N 318.804 3.015 0 40 DGAB biogenic,in-vitro COc1cc(/C=C/C(=O)Nc2conc2C)ccc1OC(C)C 585125211 KNIWWBJAJCWGAV-SOFGYWHQSA-N 316.357 3.431 0 40 DGAB CC(C)N1CCC[C@H]1c1cccc(-c2cncc(C(=O)O)c2)n1 257313753 UTZKNCDZBXYJMF-KRWDZBQOSA-N 311.385 3.387 0 40 DGAB Cc1cccc(CN2[C@H]3CC[C@H]2c2cnc4cc(C)nn4c2C3)n1 257340683 ZHDZQEWYRMXVRO-RDJZCZTQSA-N 319.412 3.003 0 40 DGAB Cc1cc([C@@H](C)NC(=O)NC[C@@H]2CCOC2(C)C)ccc1F 660816556 WBHJMPBOSNOEMB-OCCSQVGLSA-N 308.397 3.309 0 40 DGAB Clc1ccccc1N1CCN(c2cc(C3CC3)ncn2)CC1 1559063492 VZOYVTPHNHREHO-UHFFFAOYSA-N 314.820 3.334 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2CCC3(CC2)CC3(F)F)c1 651858992 MLFYOGGPRHDPFB-UHFFFAOYSA-N 315.385 3.113 0 40 DGAB CCOC(=O)[C@H](Cc1ccccc1)Nc1nc2ccccc2o1 5575504 DOSBWASBERFERO-HNNXBMFYSA-N 310.353 3.414 0 40 DGAB C[C@H]1CN(c2nc(-c3ccncc3)cc3ncccc23)C[C@@H](C)O1 19497617 HDBQBIZYQQCEAE-OKILXGFUSA-N 320.396 3.305 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 169356074 LXKDCMXDCMYIEL-KFZJALRRSA-N 311.381 3.177 0 40 DGAB O=C1OC(c2cccc(Br)c2)=N/C1=C\c1ccco1 4589172 WACURRXTEFRIJY-WQLSENKSSA-N 318.126 3.387 0 40 DGAB COc1cccc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)c1 1888906478 NWHNOSIBYNKRFL-UHFFFAOYSA-N 324.384 3.288 0 40 DGAB CN(C)C(=O)CCN1CCc2sccc2[C@@H]1c1ccccc1 25946057 HIKLHVBPLMHWTC-SFHVURJKSA-N 314.454 3.174 0 40 DGAB Cc1cc(-c2cc[nH]c(=N)c2)ccc1CNC(=O)OC(C)(C)C 2049305469 KMROSBXUTWOQBX-UHFFFAOYSA-N 313.401 3.494 0 40 DGAB CCOC(=O)c1ccc(C(=O)C(F)(F)C(F)(F)F)s1 575242922 CGIIUCLVXCNKDK-UHFFFAOYSA-N 302.220 3.305 0 40 DGAB CCc1c(C(=O)NC2CCCCCC2)cnn1-c1ccccn1 31810137 PGJDWFKCFPRWND-UHFFFAOYSA-N 312.417 3.282 0 40 DGAB Cn1c2ccccc2c2cc([C@H]3N[C@H](C(=O)O)CS3)ccc21 205073 ADSFHNHOOIYLNE-BBRMVZONSA-N 312.394 3.120 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCOC[C@@H]1C 46256401 UGYWPKCTLXMESF-JTQLQIEISA-N 320.389 3.119 0 40 DGAB CCc1cc2c(N[C@H](C(=O)O)[C@@H](C)CC)nc(C)nc2s1 572978 CUXKTIBIQATDCJ-UFBFGSQYSA-N 307.419 3.473 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2 11917444 ALWKTPIHHSUTBX-CQSZACIVSA-N 318.348 3.489 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)NCCC(C)C)cc1 1379557 WZBFCOBPHNBOCB-MRXNPFEDSA-N 317.433 3.154 0 40 DGAB O=C(CCSc1ccc(F)cc1)NCCc1ccccn1 41295661 FNOKHBGGRYTLCG-UHFFFAOYSA-N 304.390 3.062 0 40 DGAB Cc1ccccc1C(=O)Nc1cc2c3c(c1)CC(=O)N3CCC2 4850496 FVIVRTIJKMFFSD-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1COc2ccccc2O1 7107202 KFSNEHFJFJOLEH-SFHVURJKSA-N 324.380 3.065 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)NCCc1ccccc1 12138176 TWEPJTDULXLCAV-ZDUSSCGKSA-N 303.789 3.466 0 40 DGAB Cc1ccsc1C(=O)NC[C@@H](c1ccco1)N1CCCC1 8327653 JXQZRULXXPHRGT-ZDUSSCGKSA-N 304.415 3.216 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc21 71874827 NKEFYVLJCIJHIY-CQSZACIVSA-N 307.397 3.446 0 40 DGAB O=C(Nc1nc[nH]n1)c1cc(-c2cccs2)nc2ccccc12 23142495 VBJDGBZXMDYDHP-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB C[C@H](OCCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 12544347 KMMWNTQGVMWZRF-AWEZNQCLSA-N 323.396 3.461 0 40 DGAB CC(C)(C)c1noc(COc2ccc3ccc(=O)oc3c2)n1 23905961 KDIHNCJZERANNW-UHFFFAOYSA-N 300.314 3.053 0 40 DGAB CC[C@@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 72297674 NJSRNBJAQMAVNV-UKRRQHHQSA-N 320.433 3.415 0 40 DGAB O=C(c1cn2ccccc2n1)N(Cc1ccc(F)cc1)C1CC1 12507103 BCPPSLYXXZJLEY-UHFFFAOYSA-N 309.344 3.278 0 40 DGAB Cc1ccc(-n2nc(C(=O)Nc3ccc(F)cc3)nc2C)cc1 1385701 IJENRWQNMCTOHU-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)C1CCC(C)CC1 108351266 CASMMOGRXZUBRM-NCOXYXGASA-N 307.434 3.145 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)Nc3c[nH]ccc3=O)ccc2c1 58009896 DKQSFCGTRDMDKV-LBPRGKRZSA-N 322.364 3.279 0 40 DGAB COCc1nc(-c2ccc(CC[C@@H](C)NC(C)=O)cc2)cs1 58210181 YFIZNGJGKCHMPP-GFCCVEGCSA-N 318.442 3.414 0 40 DGAB NC12C[C@H]3C[C@H](C1)CC(c1cc(C(=O)O)c4ccccc4n1)(C3)C2 103889326 PKPGXBXDNMSFJU-BHRWCRGXSA-N 322.408 3.482 0 40 DGAB CC(C)(C)SCCNC(=O)C1(c2ccccc2)CCOCC1 66736858 BUGLGXRUKMWQFT-UHFFFAOYSA-N 321.486 3.383 0 40 DGAB O=C(CN1CCC[C@@H]1c1ccsc1)NCc1cccs1 36393230 ZNMWKTZFDFPMAU-CQSZACIVSA-N 306.456 3.263 0 40 DGAB C[C@H](Sc1nncn1C)C(=O)Nc1ccc(C(C)(C)C)cc1 10800191 CECOCJANUQGTAT-NSHDSACASA-N 318.446 3.232 0 40 DGAB CN(Cc1ccc(Cl)s1)c1cc(=O)n2ccccc2n1 10993289 IIUFRLKXCPMGAE-UHFFFAOYSA-N 305.790 3.046 0 40 DGAB O=C(O)COc1ccc(C(=O)Nc2ccccc2Cl)cc1 2541749 OIQBATKHAVUPOK-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB O=C1OCCN1CCc1nc(-c2ccccc2Cl)cs1 59742826 HBENBVNQPKKXCD-UHFFFAOYSA-N 308.790 3.458 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccccn1 8715115 QUZURXLKSOKUHP-ZDUSSCGKSA-N 306.369 3.067 0 40 DGAB O=C(CSc1nncs1)Nc1cccc2ccccc12 3413332 HKRHWUXZEGQQFT-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB COC(=O)c1ccc(CN(C)C(=O)c2cc3ccccc3o2)cc1 12938351 WRVJBADOZZNKDD-UHFFFAOYSA-N 323.348 3.492 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2cccc(OC)c2)cc1 21596401 QEDOFFVTDLEMCL-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB Cc1cccc(NC(=O)N2CCN(Cc3ccccc3)CC2)c1 19923731 DVLRECMMOUCAFS-UHFFFAOYSA-N 309.413 3.345 0 40 DGAB Cc1cccc(CNC(=O)c2cnn(Cc3ccccc3)c2)c1 26021974 HKQOWYDLPLKXDE-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4019094 OVDMYHCDGWWYAV-QOBDMFJFSA-N 305.761 3.110 0 40 DGAB CCC1CCC(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 408707680 LSCIKRJYSGYHKP-HWOWSKLDSA-N 314.429 3.125 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(F)c(F)c1 8988086 BHGRTNHQEPMQIR-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB Cn1cc(C2CCN(Cc3c[nH]nc3-c3ccccc3)CC2)cn1 92808568 LMGFSINCYDWKLD-UHFFFAOYSA-N 321.428 3.190 0 40 DGAB COC(=O)CNc1ccc(Cl)cc1[C@H](O)c1ccccc1 71922449 GFQHJZMGMSSVCR-MRXNPFEDSA-N 305.761 3.007 0 40 DGAB COc1ccc(-c2nnc(COc3ccccc3F)o2)cc1 14215190 OJQGGEPMQJMXAH-UHFFFAOYSA-N 300.289 3.463 0 40 DGAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccccc1 5454721 TVHNOEODUAPXFI-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1n[nH]c2ccccc12 4823077 HGTLXRLMTGTUAU-UHFFFAOYSA-N 324.336 3.131 0 40 DGAB Cc1ccc2[nH]cc(C(=O)NC[C@H](O)C3CCCCC3)c2c1 96003054 NRYHXVNVUPQKNB-KRWDZBQOSA-N 300.402 3.147 0 40 DGAB O=C(CCc1ccccc1)NCc1ccc(N2CCCC2=O)cc1 7490476 QLLMUCPSBWVHAB-UHFFFAOYSA-N 322.408 3.062 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cc(C)ccc1C 7666800 JEGFYCARTOUWIO-UHFFFAOYSA-N 317.410 3.349 0 40 DGAB Nc1nnc(SCCCOc2ccc(Cl)cc2)s1 7753577 HFJVNIBUVRUVIF-UHFFFAOYSA-N 301.824 3.335 0 40 DGAB CSc1ccc(NC(=O)C[C@H](O)c2cccc(F)c2)cn1 91438383 IGDBARLYNLAIPL-ZDUSSCGKSA-N 306.362 3.005 0 40 DGAB CCCNC(=O)[C@H](C)[S@](=O)Cc1ccc(Cl)c(Cl)c1 69490578 AFZKDEWSMPFSRK-UGZDLDLSSA-N 322.257 3.157 0 40 DGAB N[C@H]1CC[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 91548955 DFAGGRNUCBTZOP-STQMWFEESA-N 320.483 3.466 0 40 DGAB CC(=O)NC(=S)Nc1ccc2oc(-c3ccccc3)nc2c1 21596529 PMKVNRXXKLVCDM-UHFFFAOYSA-N 311.366 3.328 0 40 DGAB CC[C@@H](OC(=O)c1ccc2nncn2c1)c1cccc(OC)c1 78869699 RCNLSDPQSWYVAR-OAHLLOKOSA-N 311.341 3.046 0 40 DGAB c1ccc(-n2nnnc2CN2CCCSc3ccccc32)cc1 9548646 WQJXAMGWDVPVHA-UHFFFAOYSA-N 323.425 3.165 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)Nc3cc(C)cc(C)n3)ccc21 97143017 VJJKETKAKOTOGA-UHFFFAOYSA-N 324.384 3.251 0 40 DGAB Cc1ccn2c(NC(=O)c3csc(C(C)(C)C)n3)nnc2c1 88254551 CEQFYFNTCYKPRH-UHFFFAOYSA-N 315.402 3.044 0 40 DGAB Fc1ccc2c(c1)N(Cc1ccc(-n3cccn3)cc1)CCO2 95964895 VHMGXLPOFGBYNI-UHFFFAOYSA-N 309.344 3.410 0 40 DGAB CC1(NC(=O)Nc2ccccc2-c2ccncc2)CCOCC1 95992509 KHWSFCKNCPMIFL-UHFFFAOYSA-N 311.385 3.439 0 40 DGAB FC(F)CN1CCC(NC[C@@H]2C[C@@]23CCc2ccccc23)CC1 95986485 LHLUSPNQQTVNOW-KXBFYZLASA-N 320.427 3.210 0 40 DGAB CCOC(=O)N[C@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 95982591 FZFMIRGYTALLHE-ZDUSSCGKSA-N 323.462 3.121 0 40 DGAB CCOc1cc(C(=O)N2CCC(CCC(=O)O)CC2)ccc1C 95991842 PYDXVFIDLOJEBO-UHFFFAOYSA-N 319.401 3.111 0 40 DGAB Cc1ccc(C(=O)NCCCN(C)Cc2ccccc2)cc1F 9983567 RJCIWYFXUPSCNA-UHFFFAOYSA-N 314.404 3.386 0 40 DGAB COc1ccc(CN[C@@H](C)c2cnc3cc(C)nn3c2C)cc1 89610794 UGSGXWYQBGHMOI-ZDUSSCGKSA-N 310.401 3.206 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)N(C)C(C)C)C1 86400560 WTCXIDUUXUMFMN-OAHLLOKOSA-N 307.413 3.153 0 40 DGAB O=C(Cc1ccccc1O)NCc1ccc(-c2cccnc2)cc1 75498747 NABAHGGTEYWLAY-UHFFFAOYSA-N 318.376 3.313 0 40 DGAB CCN1CCc2c(cccc2NC(=O)N(C)[C@@H]2CCSC2)C1 89977371 AEFHLBLXFCPHNP-CQSZACIVSA-N 319.474 3.034 0 40 DGAB COCCCNC(=O)c1ccc(COc2ccccc2Cl)o1 32610790 AUOLEMGMBGCABY-UHFFFAOYSA-N 323.776 3.278 0 40 DGAB O=C(c1nc2cccnc2s1)N1CCC[C@H]1c1ccccn1 549102377 KVQZQKWGALQHGD-ZDUSSCGKSA-N 310.382 3.064 0 40 DGAB c1ccc(-c2cn(-c3ccccc3)c3ncn4nnnc4c23)cc1 3852014 AOTDTZMVRUTHJP-UHFFFAOYSA-N 312.336 3.130 0 40 DGAB biogenic CCOc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2occc12 72240147 JVFGPHHEKUGSHU-TXEJJXNPSA-N 303.358 3.081 0 40 DGAB O=C(O)c1cc(C(=O)O)c2nc(-c3ccc(F)cc3)sc2c1 73635651 AUARPYCSZPFCCL-UHFFFAOYSA-N 317.297 3.499 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1 78403896 CTYGEIKOZCZTME-SNVBAGLBSA-N 322.817 3.497 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1cnn(CCc2ccccc2)c1 72247353 GZBHFIRKRCXCFR-UHFFFAOYSA-N 323.371 3.446 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](c3nc(C(C)C)no3)C2)o1 41123650 QRRZMKKTXHILQM-LBPRGKRZSA-N 303.362 3.114 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=S)NC(C)(C)C)c1 225274793 CJTLSCHPNLTNRQ-UHFFFAOYSA-N 300.811 3.212 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)[C@H](C)Oc2ccccc2)c1 224095380 GQJUQUWANALOEI-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCCCCNC(=O)Nc1cc(-c2nc(C)no2)ccc1OC 227154118 MFFZNVXPUJFRKY-UHFFFAOYSA-N 318.377 3.365 0 40 DGAB CC[C@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccnc3)N21 222650036 BILUQVGMINZHMV-NUEKZKHPSA-N 310.426 3.456 0 40 DGAB CC(C)N(C(=O)c1csc(-c2ccoc2)n1)C1CCOCC1 96418771 PAPKAVBMVBBZRY-UHFFFAOYSA-N 320.414 3.433 0 40 DGAB Cn1ccnc1CN1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372120 JPTCXEGUKDRYAT-CYBMUJFWSA-N 309.335 3.428 0 40 DGAB Cc1ccc(CN2CCC3(CC2)CN(CC(C)C)C3=O)cc1 96202817 MQTVARYNMPXJKA-UHFFFAOYSA-N 300.446 3.075 0 40 DGAB Cc1ccc(CNC(=O)[C@H]2C[C@@H]2c2cc(F)ccc2F)n1C 96423555 MHVQUBLHCOKAQK-HIFRSBDPSA-N 304.340 3.032 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)c(C)n1 248983775 DQROBIMQYHWRHP-MSOLQXFVSA-N 324.428 3.265 0 40 DGAB CC1=C[C@H](C)[C@H]([C@H]2NC(N)=Nc3nc4ccccc4n32)[C@H](C)C1 245237950 MPVKDSOURSACLP-VZAMPYOESA-N 309.417 3.323 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CNc2ncccn2)cc1 257280243 OKBAUNWWELWYSV-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)Cc3csc(C)n3)C2)s1 257304705 SMUIPJLGHSKYTK-LBPRGKRZSA-N 321.471 3.165 0 40 DGAB COc1cccc(CN2CCC[C@@H](c3[nH]ncc3C)C2)c1F 257238101 HJPDWEFNZYROFS-CQSZACIVSA-N 303.381 3.245 0 40 DGAB CO[C@](C)(CNC(=O)/C=C/c1ccoc1)c1ccccc1F 96123555 ZXWSFMDKYJWAAH-IWAYRVGRSA-N 303.333 3.110 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccc(F)cc1 88526 DHEQCICHCBTZLR-YVNCXZRQSA-N 322.383 3.463 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)NCc1ccccc1Cl 8034535 GATQOURNFBFBCO-SOFGYWHQSA-N 315.756 3.398 0 40 DGAB COP(=O)(OC)[C@@](C)(O)c1cccc(Br)c1 5920176 NMLSQQSKJOOELH-SNVBAGLBSA-N 309.096 3.100 0 40 DGAB COc1ccc(CNC(=S)Nc2ccc(C(C)=O)cc2)cc1 13814949 MWQFHRJGGJCELD-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB O=C1CN(C(=O)/C=C/c2ccccc2Cl)c2ccccc2N1 15912265 XEVWVFVBHCBSFJ-MDZDMXLPSA-N 312.756 3.339 0 40 DGAB OC[C@@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17054552 UQKPPUXQTMYTRH-SNVBAGLBSA-N 318.364 3.107 0 40 DGAB NC(=O)c1ccc(NC(=O)c2cccc(Cl)c2Cl)cc1 7770560 QHGUJAFRODESAD-UHFFFAOYSA-N 309.152 3.345 0 40 DGAB Cc1nnc([C@H]2CCCN(c3nc4ccc(F)cc4o3)C2)o1 892206425 QICNVBQZPXTNJF-JTQLQIEISA-N 302.309 3.042 0 40 DGAB Cc1cc(C(=O)NCCn2cc(-c3ccccc3)cn2)c(C)o1 240104313 UPQMJFJFPZKAFR-UHFFFAOYSA-N 309.369 3.190 0 40 DGAB CSc1nnc2c3cc(Br)ccc3n(C)c2n1 209381 VUQCRWKYYGLLJJ-UHFFFAOYSA-N 309.192 3.001 0 40 DGAB CCNC(=O)CSc1nc2cc(Cl)c3cccnc3c2o1 15083417 OPJKTRBMYOTWEK-UHFFFAOYSA-N 321.789 3.258 0 40 DGAB COc1ccc([C@@H]2CCCCN(C(=O)Cn3cccc3)C2)cc1 206884058 WFDDXEYODAYYIC-QGZVFWFLSA-N 312.413 3.293 0 40 DGAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1c(F)cccc1Cl 40286032 POYCKBAKVBLREV-WBVHZDCISA-N 316.763 3.404 0 40 DGAB CN(Cc1nccn1Cc1ccccc1)C(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101374725 KIKBZXKYVLHLAK-OKZBNKHCSA-N 321.424 3.102 0 40 DGAB CSc1nsc(S[C@H]2CCc3ccccc3NC2=O)n1 20728888 RDFKVDHKZDBSOA-JTQLQIEISA-N 323.468 3.306 0 40 DGAB COc1ccc(-n2c(C)nc3sc4c(c3c2=O)CCC4)cc1 61467 JZNFNRUUILCCTE-UHFFFAOYSA-N 312.394 3.253 0 40 DGAB CCc1noc(C)c1C(=O)Nc1cccc(Oc2ncccn2)c1 46292312 JIGITGPSAAHNNL-UHFFFAOYSA-N 324.340 3.380 0 40 DGAB Cc1ncc2c(n1)CN(Cc1csc(-c3ccco3)n1)CC2 69486135 FGYOIIHLPCHRAK-UHFFFAOYSA-N 312.398 3.060 0 40 DGAB O=C(CSc1nnc(-c2ccc(F)cc2)o1)NC1CCCC1 415869 RPNVIMPHQMLKKU-UHFFFAOYSA-N 321.377 3.027 0 40 DGAB CC[C@H](C)Oc1cccc(C(=O)Nc2ccccc2C(N)=O)c1 513593 XVHLDRIMXBTGBZ-LBPRGKRZSA-N 312.369 3.215 0 40 DGAB O=C(CCOc1cccc(F)c1)Nc1ccc2c(c1)OCCO2 32752746 UBUJSCKAZPONFM-UHFFFAOYSA-N 317.316 3.005 0 40 DGAB CSc1nc2n(n1)[C@H](c1ccccn1)C1=C(O)CCCC1=N2 102627232 OAMBSFBQEMYMDB-CYBMUJFWSA-N 313.386 3.067 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1N 6266309 APFWJHIVWPRGLO-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB COc1cccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3C)C2=O)c1 7213037 QEAWAKQXIHOMIY-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB O=C(O)c1ccc(NC(=O)c2ccc(N3CCCC3)cc2)cc1 7383335 ZOJWIXZKYVVPSD-UHFFFAOYSA-N 310.353 3.237 0 40 DGAB CSCC[C@H](C)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 76018066 KJXSELUALZGZNU-LBPRGKRZSA-N 318.446 3.018 0 40 DGAB CCc1nc([C@@H]2CCCN(Cc3ccncc3Cl)C2)no1 76050323 FXPICPFHSBYAJD-GFCCVEGCSA-N 306.797 3.060 0 40 DGAB Cc1cccc(C(=O)c2ccccc2CN2CCN(C)CC2)c1C 22028182 TVUPCKZDQACLSB-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CC(C)C(=O)c1cn(CC(=O)NC(C)(C)C)c2ccccc12 560867 CTEYNLDWSAHRON-UHFFFAOYSA-N 300.402 3.395 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)NCc2cn3ccccc3n2)o1 53175340 CXGSSQXNNMRMBP-CZUORRHYSA-N 323.396 3.300 0 40 DGAB Cc1ccc(-n2nc(C(=O)O)nc2-c2ccc(F)cc2)cc1C 8730855 BZWNCBMDUQMXRV-UHFFFAOYSA-N 311.316 3.388 0 40 DGAB Cc1ccc(C)c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 23183599 LTFUDMMYJYMTOH-OAHLLOKOSA-N 311.381 3.215 0 40 DGAB O=C(/C=C/c1ccncc1)N1CCC([C@@H](O)c2ccccc2)CC1 72277106 PPVHROPUCLAWFI-YJJPMGAVSA-N 322.408 3.067 0 40 DGAB COC(=O)c1ccoc1COC(=O)c1cc2ccccc2o1 24037792 CSZBAPMDFLYGBW-UHFFFAOYSA-N 300.266 3.169 0 40 DGAB COc1ccccc1NC(=O)NC[C@@H](c1cccs1)N(C)C 24367056 VYUNEKYDCFUZCN-ZDUSSCGKSA-N 319.430 3.181 0 40 DGAB CC(C)(C)NC(=O)CC[C@H]1[C@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(C)(C)C 104147744 RUIKDRLQLOUVDC-YXWQFLTLSA-N 320.477 3.034 0 40 DGAB CO[C@@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 55051423 KKKHQSIEKQSLCD-AAEUAGOBSA-N 304.415 3.385 0 40 DGAB CCN(Cc1ccccc1)[C@H]1CC(=O)N(c2ccc(C)cc2)C1=O 24843687 IGQHBRRBYFXMMS-SFHVURJKSA-N 322.408 3.149 0 40 DGAB CC[C@@H](Nc1ccc2oc(C)nc2c1)C(=O)Nc1cc(C)on1 24977214 DLDTWIXRZNWXOB-GFCCVEGCSA-N 314.345 3.262 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2ccccc2[nH]1 25009545 BCIVDUXXFAJFEK-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB COC(=O)c1ccc2c(c1)N(Cc1ccccc1)C(=O)CS2 1406178 ZDIFOABVINGWIL-UHFFFAOYSA-N 313.378 3.112 0 40 DGAB C[C@H]1CCCCN1CCCNC(=O)CSc1ccc(F)cc1 58130794 NEXREXBZBAXWAB-AWEZNQCLSA-N 324.465 3.299 0 40 DGAB CCNc1ccc(C(=O)OCC)cc1NC(=O)c1cc[nH]c1C 177881364 HMKILRPRJWQUMW-UHFFFAOYSA-N 315.373 3.184 0 40 DGAB Cc1ccnc(-c2ccc(NC(=O)N3CCSCC3)cc2)n1 72286349 XRHVFOXDTHVUJE-UHFFFAOYSA-N 314.414 3.033 0 40 DGAB COCCn1cc(C(=O)Nc2cc(C)ccn2)c2ccccc21 57433918 QLHGDTJGBGRFDW-UHFFFAOYSA-N 309.369 3.243 0 40 DGAB CCC(=O)N(Cc1ccccc1)Cc1cc2ccccc2[nH]c1=O 21596640 BDHPNXZWAQHYMD-UHFFFAOYSA-N 320.392 3.467 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)N2CCc3sccc3C2)cc1 10106699 JULPTXNCAXQAQR-ZDUSSCGKSA-N 300.427 3.442 0 40 DGAB Cc1ccccc1OCC(=O)Nc1[nH]nc(-c2ccncc2)c1C 58280579 SXAJTBNEROFGBV-UHFFFAOYSA-N 322.368 3.106 0 40 DGAB O=C(N[C@@H]1CCN(C2CC2)C1)c1sccc1-c1ccccc1 58393121 BHVLJRSBMGIQHU-CQSZACIVSA-N 312.438 3.382 0 40 DGAB CSc1nsc(SCC(=O)Nc2ccc(F)cc2)n1 2223706 SSPPPWOWEGKLRS-UHFFFAOYSA-N 315.420 3.130 0 40 DGAB CCCOc1ccc(CSc2nnc(CCC)n2N)cc1 2331812 MNXHKYYKWFESGU-UHFFFAOYSA-N 306.435 3.026 0 40 DGAB COc1ccc(Nc2cc(=O)n3cc(Cl)ccc3n2)cc1 12728780 CAQWTSUACHQUEZ-UHFFFAOYSA-N 301.733 3.100 0 40 DGAB CC[C@@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(C)o1 11217109 NLXGZZWFSCCFOQ-KRWDZBQOSA-N 300.402 3.115 0 40 DGAB Cc1cc(C(=O)N2C[C@@H](C)c3ccccc32)ccc1-n1cncn1 173108681 PAOLCFBYELSGLB-CQSZACIVSA-N 318.380 3.340 0 40 DGAB O=C(NC1CCCCC1)c1ccccc1CSc1ncn[nH]1 69923786 NCKCMBDXBPIKSP-UHFFFAOYSA-N 316.430 3.160 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nccs3)C2)s1 67047117 JSELVGMFMYZLSL-GFCCVEGCSA-N 306.456 3.462 0 40 DGAB O=C(CCCc1cccs1)N1CCCC[C@H]1Cn1cccn1 69971302 WRNTWJQADMQNSY-HNNXBMFYSA-N 317.458 3.349 0 40 DGAB CC(C)CCN1CCOc2c(O)nc(-c3ccccc3)nc2C1 306139806 UBHNTHWDWAUNQW-UHFFFAOYSA-N 313.401 3.090 0 40 DGAB Cc1cc2c(cc1C)C1=NCCN[C@@H]1[C@H](c1ccccc1)C2=O 67300082 DNTHAEXKKZSWHX-PKOBYXMFSA-N 304.393 3.044 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@@H]3C[C@H]4CC[C@@H]3C4)CC2)c1C 4457742 TVCPFXRYXOOVCW-RCCFBDPRSA-N 312.457 3.388 0 40 DGAB Nc1cc(Cl)ccc1C(=O)OCc1nc2ccccc2o1 14074352 SUVBYVDVHAZXBW-UHFFFAOYSA-N 302.717 3.420 0 40 DGAB CCC(CC)CN(CC)C(=O)c1ccccc1SCC(N)=O 65587874 SZQKECFPMMRIMZ-UHFFFAOYSA-N 322.474 3.162 0 40 DGAB Cn1cccc1[C@@H]1CCCN1CC(=O)Nc1c(F)cccc1F 14159247 ABXZJLSGLPVQRM-HNNXBMFYSA-N 319.355 3.079 0 40 DGAB COc1ccccc1NC(=O)CN1CC[C@@H]2CCCC[C@@H]2C1 6588003 WBORWTJDPUEWCA-LSDHHAIUSA-N 302.418 3.146 0 40 DGAB Cc1ccc(Nc2nc(CSc3n[nH]c(N)n3)cs2)cc1 5931982 LODUDKHMIVGYQM-UHFFFAOYSA-N 318.431 3.188 0 40 DGAB C[C@H]1CCc2ccccc2N1CC(=O)NC(=O)Nc1ccccc1 15481224 LKGOCFBESHRJGN-AWEZNQCLSA-N 323.396 3.176 0 40 DGAB CO[C@H](CNC(=O)c1cnc2ccccc2c1)c1cccs1 67947920 ZYGBRQWROAUPTR-OAHLLOKOSA-N 312.394 3.414 0 40 DGAB O=C(Nc1ccccc1Br)[C@H]1Cc2ccccc2O1 9155809 KHKXXYHTINTNSM-CQSZACIVSA-N 318.170 3.391 0 40 DGAB C[C@@H](NCc1cn2ccsc2n1)c1nc2ccccc2n1C 91309061 WWEADHFYYCJVJC-LLVKDONJSA-N 311.414 3.133 0 40 DGAB O=C(NCc1ccccn1)c1ccc(C2SCCS2)cc1 8289797 OSIWEXZJFQKQMG-UHFFFAOYSA-N 316.451 3.490 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)Cc1csc(C(C)(C)C)n1 69367572 OCTCUSYLPMOIQF-NSHDSACASA-N 306.431 3.324 0 40 DGAB O=C(CC(F)(F)F)Nc1ccccc1NC(=O)N1CCCC1 69393844 JLQGRTYJYVDRCO-UHFFFAOYSA-N 315.295 3.205 0 40 DGAB CC/C=C(\C)C(=O)Nc1cccc(NC(=O)OCCOC)c1 96310772 CHEFPGIQCKIYJB-WUXMJOGZSA-N 306.362 3.176 0 40 DGAB O=C(Nc1cccnc1)Nc1cccc(CCN2CCCC2)c1 93926046 WRWCOXRIPRCTLB-UHFFFAOYSA-N 310.401 3.364 0 40 DGAB CC/C=C(\C)C(=O)NCc1cccc(NC(=O)N2CCCC2)c1 96400957 WOMWETRXBMSROJ-VGOFMYFVSA-N 315.417 3.287 0 40 DGAB Cc1cc(C)c2cc(C(=O)OCC(=O)c3cccn3C)[nH]c2c1 84083259 IKTBFAWALSZTDB-UHFFFAOYSA-N 310.353 3.163 0 40 DGAB COc1ccc(NC(=O)Nc2cnn(CC(F)F)c2)cc1C 72510377 BSPNFXWZCBNCIO-UHFFFAOYSA-N 310.304 3.109 0 40 DGAB CCc1cnc(CN(C)c2cc(-c3ccc(OC)cc3)n[nH]2)o1 72685833 QQTNNVPMYWZNCU-UHFFFAOYSA-N 312.373 3.272 0 40 DGAB CC[C@H]1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)C1 79071499 HWBYNVWNYUXANX-ZDUSSCGKSA-N 303.406 3.089 0 40 DGAB COCCSc1ccc(NC(=O)c2cncc(C)c2)cc1 95403562 ZJPUVBOHXQBFQI-UHFFFAOYSA-N 302.399 3.381 0 40 DGAB CC(C)Cn1ncnc1COC(=O)c1cccc2ccccc12 95467931 BEKSTPYSEYEEDP-UHFFFAOYSA-N 309.369 3.444 0 40 DGAB CC[C@@H](NC(=O)N1CC[C@H](OCC(C)C)C1)c1nccs1 95413512 LAWDGIDTOVLLDI-QWHCGFSZSA-N 311.451 3.051 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCc2cn[nH]c2C1)c1ccccc1Cl 79292256 RNVWQCKUVCZZPT-GHMZBOCLSA-N 303.793 3.045 0 40 DGAB CO[C@@H](C)c1noc(CNC2(c3cccc(Cl)c3)CC2)n1 95985312 FNOZSKJPFLNVPU-JTQLQIEISA-N 307.781 3.209 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccsc2)n1 75129615 YQQLMLMQERHZRN-OAHLLOKOSA-N 303.431 3.256 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)ncn1 89600835 ARKFMHFEEASMAL-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)o1 89948961 VZBIYSRSXNVHFT-RISCZKNCSA-N 310.825 3.060 0 40 DGAB CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@@H](CC)C1 89949160 ZUJJUNHZHFKKHQ-WFASDCNBSA-N 321.490 3.147 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NC(=O)C2CCCCC2)CC1 60555183 RYEGRAFVQNEFCO-UHFFFAOYSA-N 310.438 3.082 0 40 DGAB Cn1c(CN[C@@H]2CCCC[C@H]2C(F)(F)F)nnc1C1CCC1 124141825 JTEMFVSIYOGCOL-VXGBXAGGSA-N 316.371 3.293 0 40 DGAB C[C@@H](N[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1ccccn1 72203931 XHVIHPAHSMZJAP-KGLIPLIRSA-N 305.422 3.132 0 40 DGAB CC[C@@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 33772777 SLYJJCRDQAZUKF-HIFRSBDPSA-N 320.433 3.037 0 40 DGAB COC(=O)c1ccoc1COC(=O)c1ccc2c(c1)CCCC2 32894884 CXZOIYWWRLVXDK-UHFFFAOYSA-N 314.337 3.302 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)OCc2ccccc2)c[nH]c1=O 72217954 MYSPTXHNEVPYDO-MRXNPFEDSA-N 312.369 3.157 0 40 DGAB Cc1ccc([C@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1C 222601288 XZLCIGDEYJODPA-RCBQFDQVSA-N 312.442 3.318 0 40 DGAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222723593 ZXSYDIJIUYERMO-NEPJUHHUSA-N 309.847 3.399 0 40 DGAB CCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCC 224702971 BIEGCRLMEKTNHJ-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB CCOc1ccccc1NC(=O)Cn1ccc(=O)c2ccccc21 225719385 ANTIELWRNWSGQY-UHFFFAOYSA-N 322.364 3.039 0 40 DGAB S=C(NCc1ccc(Cl)cc1Cl)Nc1ncccn1 225176631 NGGKTKNSFABDJB-UHFFFAOYSA-N 313.213 3.270 0 40 DGAB CC(C)COC1CC2(CCN(C(=O)Cc3ccccn3)CC2)C1 96159319 VYUSCHJGGKEKFI-UHFFFAOYSA-N 316.445 3.068 0 40 DGAB Cc1noc(-c2ccccc2C(=O)NCc2cc(C)oc2C)n1 96425175 NJRPXWOJZKLXKY-UHFFFAOYSA-N 311.341 3.185 0 40 DGAB O=C(c1csc2ccccc12)N1CCCC[C@H]1c1nc[nH]n1 96490134 WHPMBKCTIGKLCA-ZDUSSCGKSA-N 312.398 3.387 0 40 DGAB CCS(=O)(=O)[C@@H](C)[C@H](N)c1ccc(-c2ccccc2)cc1 96524819 ONHRJNJEAOITIJ-GUYCJALGSA-N 303.427 3.177 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)C(=O)Nc1nccs1 96433664 HGIOZDIRYRKSSM-LLVKDONJSA-N 305.403 3.247 0 40 DGAB COCCNc1ccccc1CNC(=O)c1cccc2[nH]ccc12 96475895 UBCIZISOKWKXIX-UHFFFAOYSA-N 323.396 3.156 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccc3ccccc3c2)C1 257323604 WLBHLPVVTLHIGH-SFHVURJKSA-N 319.408 3.430 0 40 DGAB c1csc(-c2n[nH]cc2CN2CCC[C@@H]2c2cnccn2)c1 257333399 YBJFOPQTJPJITJ-CQSZACIVSA-N 311.414 3.265 0 40 DGAB COc1cc(NCc2cc3n(n2)CCCC3)c(C)c(OC)c1 650117470 UYZQZDHDUBINBU-UHFFFAOYSA-N 301.390 3.157 0 40 DGAB Cc1cc(C)n2cc(CSC[C@@H](O)c3ccccc3)nc2n1 69290679 HJSPLNSOADWGDZ-MRXNPFEDSA-N 313.426 3.313 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCC[C@@H]1c1ccc(OC)cc1 69774136 BBLJQTVKDHRRKF-MRXNPFEDSA-N 313.401 3.197 0 40 DGAB COc1ccc(-c2nc(-c3ccc4nccnc4c3)no2)cc1 546422867 BXTQVMJUXMTLHP-UHFFFAOYSA-N 304.309 3.355 0 40 DGAB O=C(c1cscn1)N1CCc2cc(Br)ccc2C1 191562445 BESNEWLPCLJPJC-UHFFFAOYSA-N 323.215 3.104 0 40 DGAB COc1ccc(OC[C@@H]2[C@H]3CC[C@H](C3)N2C(=O)C(C)C)cc1 12219992 IINRNKLFRNRMKT-JJRVBVJISA-N 303.402 3.110 0 40 DGAB O=C(CC(O)(c1ccccc1)c1ccccc1)Nc1ccccn1 13162888 XTHYHQFPPBENOY-UHFFFAOYSA-N 318.376 3.346 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)COc1ccc(F)cc1 15471468 QPIBLZFHITZVLZ-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB COc1ccccc1-[n+]1c(C)c2c(O)cccc(OC)c-2c1C 17146719 LAHHACSRDUMXKV-UHFFFAOYSA-O 310.373 3.408 0 40 DGAB CC(C)c1nccn1CC1CN(C(=O)CC2CCCCC2)C1 1849634208 SZRJECVUMODDCG-UHFFFAOYSA-N 303.450 3.435 0 40 DGAB O=C(Nc1ccccc1)OCn1c(=O)oc2cc(Cl)ccc21 51088 AUJDTIJOXHBJLI-UHFFFAOYSA-N 318.716 3.454 0 40 DGAB Cc1ncc(CN[C@@H](Cc2ccsc2)c2nccs2)cn1 19287268 VAMTULGGDPTALO-AWEZNQCLSA-N 316.455 3.377 0 40 DGAB C[C@H]1CCc2sc(C(=O)OCC(=O)c3ccc[nH]3)cc2C1 10437075 QOXPFTAFKGYKGC-JTQLQIEISA-N 303.383 3.241 0 40 DGAB CCc1cccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c1 40098806 IVFWZRCCZVMLTC-INIZCTEOSA-N 320.339 3.382 0 40 DGAB COc1ccccc1CNC(=O)c1cccc(CN2CCCC2)c1 40157951 FMSZOFHRQOMJSK-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 100538843 RYUWZDKWBSDILW-CKEIUWERSA-N 318.848 3.425 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 270097 XCVTXXJMOGFLGL-UHFFFAOYSA-N 300.343 3.344 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1ccc(Cl)cc1 554794 CMXNLNGULZMRHK-ZDUSSCGKSA-N 324.789 3.044 0 40 DGAB O=C(C[C@@H](c1ccccc1)N1CCCCC1)OC[C@H]1CCCO1 1569393 JPWQZUQDQORRCQ-MSOLQXFVSA-N 317.429 3.326 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1CN1C[C@H](C)O[C@@H](C)C1 21578168 OVAGJYWTJLSBDM-STQMWFEESA-N 319.836 3.443 0 40 DGAB CCOc1ccc(NC(=O)COc2cccc(C(C)=O)c2)cc1 3327057 RZKNALQBEOVKNY-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104670 USTXZXQVLIVEIS-YNDYFHGHSA-N 320.473 3.032 0 40 DGAB biogenic,in-vitro CCCCOCCOCCOC(=O)c1ccccc1OCC 4410490 UUTJKJJEXOZCAF-UHFFFAOYSA-N 310.390 3.075 0 40 DGAB O=C(COC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1 7977750 JJCIUKXAERGPGK-UHFFFAOYSA-N 304.342 3.416 0 40 DGAB O=C1C[C@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C1CC1 102903179 JNUVXZQEEOCDIT-KRWDZBQOSA-N 322.364 3.181 0 40 DGAB CCOc1ccccc1NC(=O)c1cc2ccccc2c(=O)o1 12274128 SKOKIGWCPPDMCJ-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB Cc1cc(C)c(N[C@H]2CC(=O)N(c3ccccc3)C2=O)c(C)c1 101275056 OENNJJINTMXHHK-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)cc2)on1 22911038 HJQHZBFDYGZXHI-MNOVXSKESA-N 307.781 3.314 0 40 DGAB COC(=O)CCCCCNC(=O)c1cc2c(s1)CCCCC2 24466785 VPEFKHGOTXEPBR-UHFFFAOYSA-N 323.458 3.480 0 40 DGAB COc1c(Cl)cnn(-c2ccc(Cl)c(Cl)c2)c1=O 1401933 JIFQJEBCHTXHEH-UHFFFAOYSA-N 305.548 3.201 0 40 DGAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)c1cc[nH]n1 47988021 USGWGRYOJCPKMP-UHFFFAOYSA-N 309.354 3.038 0 40 DGAB O=C1c2ccccc2C(=O)N1CN(Cc1ccc(F)cc1)C1CC1 57406588 SSQFLKGCGIIKLP-UHFFFAOYSA-N 324.355 3.044 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 28487939 FYIDPXNBJYOZEO-CHWSQXEVSA-N 317.360 3.479 0 40 DGAB O=C1Nc2ccccc2C[C@@H]1CCC(=O)N1CCc2ccccc21 12763264 REROPXJLCYJTLV-INIZCTEOSA-N 320.392 3.167 0 40 DGAB Cc1cc(C)c(NC(=O)Cc2c(C)nn(C)c2C)c(Cl)c1 11206392 ZAFGGJVMHPQAMY-UHFFFAOYSA-N 305.809 3.488 0 40 DGAB CCc1cccc(C)c1NC(=O)CCCNC(=O)c1ccco1 12755275 OLKSAMPLLGJPQF-UHFFFAOYSA-N 314.385 3.299 0 40 DGAB Cc1nc(NC[C@@H]2CCCO2)sc1C(=O)Nc1ccccc1 3477417 KREAMXNBFJNCLG-ZDUSSCGKSA-N 317.414 3.295 0 40 DGAB CCC(C)(C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12986327 WARXKHKTGWSQNB-UHFFFAOYSA-N 315.392 3.419 0 40 DGAB CC(C)c1nn(C)cc1CNCc1ccc(-n2cccn2)cc1 48713692 ITTXIUVLNQVYSE-UHFFFAOYSA-N 309.417 3.019 0 40 DGAB CC(C)(C)NCc1nc(-c2cc(Br)cs2)no1 48707124 FYORIEDJNPKZMY-UHFFFAOYSA-N 316.224 3.449 0 40 DGAB COc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167619 ACUVTBNAFIQOPP-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2cccs2)c1C 8726886 IEDOEWHMVPEMEE-SNVBAGLBSA-N 320.414 3.361 0 40 DGAB Cn1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)cn1 66612219 QTCBLHHJFQKXKE-UHFFFAOYSA-N 309.291 3.109 0 40 DGAB CN1C(=O)C[C@H](c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 13721746 DEEDQVMGTFKCDU-CQSZACIVSA-N 304.349 3.307 0 40 DGAB Cc1cc(CN2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)on1 65487608 SLUHHKVSGWFEBH-ZDUSSCGKSA-N 321.446 3.311 0 40 DGAB CC(C)CCNc1nc(-c2ccc3[nH]c(=O)[nH]c3c2)cs1 14167560 QXRSAMQIROUIMI-UHFFFAOYSA-N 302.403 3.438 0 40 DGAB O=c1[nH]c2c(s1)[C@@H]1c3cc(Cl)ccc3OC[C@@H]1CS2 4540117 RATQJCFBIKCPOR-LDWIPMOCSA-N 311.815 3.336 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 4726492 IUNYGQONJQTULL-UFTZPVOZSA-N 304.430 3.138 0 40 DGAB in-vitro Cc1cc(C)c2c(n1)oc1c(NCc3ccncc3)ncnc12 6719406 RVUKOZARDXGAEC-UHFFFAOYSA-N 305.341 3.395 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCCC(=O)N2CCCCC2)cc1 5703379 NWKRGGLJRVEVEL-UHFFFAOYSA-N 316.445 3.117 0 40 DGAB Cc1cc(OCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)no1 9153927 OCCJQPUYSRRXFY-IHWZXDPASA-N 318.417 3.083 0 40 DGAB COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@H](C)CC2 6995147 LIBFQITXHQNBGH-LLVKDONJSA-N 316.426 3.458 0 40 DGAB Nc1c(-c2ccc(F)cc2)nsc1C(=O)NC1CCCC1 67334805 AXXHUJDLWDIHQA-UHFFFAOYSA-N 305.378 3.204 0 40 DGAB Cc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)c(C)c1 20483669 JBQCGUMSSQQURG-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)Nc1cc(F)ccc1F 67662071 LTUYHGCKLICIFW-QMMMGPOBSA-N 308.332 3.198 0 40 DGAB Cc1cc(C)c(NC(=O)CN(C)C(=O)c2ccccc2)c(C)c1 7645777 YQYUKRGUQSNEMN-UHFFFAOYSA-N 310.397 3.323 0 40 DGAB O=C(CN1CCc2ccccc2C1)Nc1ccc(F)cc1Cl 7782765 KOOPQMORHRDCQA-UHFFFAOYSA-N 318.779 3.476 0 40 DGAB CC(=O)c1ccc(NCC(=O)N2c3ccccc3C[C@H]2C)cc1 7952903 HZYFTQQBVXVRAO-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB COc1ccc(OC)c([C@H]2CCCN2c2nnc(C)s2)c1 96453239 NERPRRPLVDDEDQ-CYBMUJFWSA-N 305.403 3.205 0 40 DGAB CC[C@@H](OC(=O)c1ccc(C)c(C)c1)C(=O)Nc1cc(C)on1 9365507 XYHBCKSTBPMFNY-CQSZACIVSA-N 316.357 3.174 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 71870771 KZOWZWYIHXEKDR-MRXNPFEDSA-N 315.461 3.435 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1c1ccc[nH]1 71818700 POQRBXWKTOGOLB-GFCCVEGCSA-N 309.291 3.406 0 40 DGAB Cc1cccc(CCNC(=O)NCc2cc(C(C)C)no2)c1 72284994 CVBXRSVSUWIUKV-UHFFFAOYSA-N 301.390 3.148 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n1 72235658 ZOBOCLCDXINQLL-MRXNPFEDSA-N 317.458 3.358 0 40 DGAB O=[N+]([O-])c1cc(C(F)(F)F)ccc1N/N=C/[C@@H]1CCOC1 84341161 UORLSODZFRKSEN-IYRRMDOYSA-N 303.240 3.048 0 40 DGAB COc1ccc(CCN(C)Cc2ncc(C(C)C)o2)cc1OC 95396748 ONYWVAWDIWBKNJ-UHFFFAOYSA-N 318.417 3.490 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc(C)c(C)cc2C)[C@@H](C)C1 78897501 SSAPYPBSSREOKG-FUHWJXTLSA-N 302.462 3.348 0 40 DGAB O=C(Oc1cc(F)cc(Br)c1)C1=COCCC1 95418653 DUIZEPCWRJTGMO-UHFFFAOYSA-N 301.111 3.188 0 40 DGAB C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1CO)c1cccs1 95417073 LUAPDFGANKDTCW-IUODEOHRSA-N 316.426 3.110 0 40 DGAB O=C(N[C@H]1CCC[C@@H]1CO)c1ccc(CCC(F)(F)F)cc1 95433980 BSLPLQWSTPXEEM-KGLIPLIRSA-N 315.335 3.072 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(Cc2cccnc2)C3)c1 306129155 HVXCZSCHXMELBO-UHFFFAOYSA-N 304.397 3.269 0 40 DGAB CC(C)c1nc(C(=O)Nc2cc(C(=O)O)ccc2F)cs1 95989577 JDIUWKRLCSWGCR-UHFFFAOYSA-N 308.334 3.356 0 40 DGAB CC(=O)c1cc(C(=O)Nc2c(F)cccc2NC2CC2)n(C)c1 89291905 PUMZIPMTYWSASQ-UHFFFAOYSA-N 315.348 3.193 0 40 DGAB Cc1csc([C@@H](NC(=O)Cc2ccc(C)c(O)c2)C2CC2)n1 89454062 WNKPDFJLVGHSPQ-INIZCTEOSA-N 316.426 3.276 0 40 DGAB C[C@H](NC(=O)NCCCSc1ccccc1)C1CCOCC1 89894382 COOAGDWODLDKLD-AWEZNQCLSA-N 322.474 3.283 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccccc2F)C1 67801298 AYYXKFMEIZHHDU-AWEZNQCLSA-N 308.397 3.315 0 40 DGAB COc1ccccc1[C@H](CNC(=O)c1cccc(C)c1)N(C)C 23694111 XYFLGNDISNVPNS-KRWDZBQOSA-N 312.413 3.036 0 40 DGAB biogenic C[C@@H]1CCCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)C1 60547983 VKBKOYSZKUGPQJ-RHSMWYFYSA-N 302.418 3.036 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N1CCC(CCO)CC1 515296928 CFZHVFNFCUXEOB-JKSUJKDBSA-N 307.821 3.065 0 40 DGAB COC(=O)[C@@H](CN1CCCC1)c1cccc(C(F)(F)F)c1 70453731 YJLLJZPQQXPQTL-ZDUSSCGKSA-N 301.308 3.058 0 40 DGAB CC(C)(C)c1cc(I)c(O)c(C=O)c1 39281080 UFURNVFJZSEWQX-UHFFFAOYSA-N 304.127 3.107 0 40 DGAB CC(=O)N1CCC[C@H](c2cncc(Oc3cccc(F)c3)n2)C1 72361718 FGTKIFZVTPFYBX-ZDUSSCGKSA-N 315.348 3.134 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NCc1cccc2c1OCCCO2 78553149 QCBZVHBBWWRXPK-LBPRGKRZSA-N 315.417 3.049 0 40 DGAB O=S(=O)(Nc1cnccn1)c1ccc(Cl)c2ccccc12 125945663 NWQAAHCPAXXUCE-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1F)C1=CCCCO1 188143097 GSHAVKOCXHGJBG-UHFFFAOYSA-N 318.117 3.360 0 40 DGAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1c(C)noc1C 187536111 IPOQYPUJNQMSGK-UHFFFAOYSA-N 316.401 3.359 0 40 DGAB CCOc1nnc(CNC(C)(C)c2nc(C)c(C)s2)s1 72865869 YTNOLKIVYBQNIK-UHFFFAOYSA-N 312.464 3.035 0 40 DGAB COc1ccc(NC(=O)c2ccc(Br)c(N)c2)cc1 40293630 APWSTUCFFWOXSH-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB O=C(Nc1ccc2c(c1)C(=O)OCc1cccn1-2)c1cccs1 225379609 JSSIPAJQFYVNMK-UHFFFAOYSA-N 324.361 3.462 0 40 DGAB CCSCc1cccc(NC(=O)NC[C@H]2CC[C@H](O)C2)c1 195578947 FGAQIOKTDYMOMW-WFASDCNBSA-N 308.447 3.222 0 40 DGAB CCc1nnc2sc(-c3ccc(Br)c(C)c3)nn12 226293692 KIEJWARKICZFDE-UHFFFAOYSA-N 323.219 3.486 0 40 DGAB CCn1cnnc1[C@@H]1CCCN(c2nccc3ccccc23)C1 527952355 UILNNUAIYJOZKA-OAHLLOKOSA-N 307.401 3.230 0 40 DGAB COc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1C 222800102 OKFYKEIBZHMLHY-UHFFFAOYSA-N 312.413 3.260 0 40 DGAB c1ccc(Oc2ccc(CN[C@@H]3CCc4[nH]ncc4C3)o2)cc1 97236034 OTOQLBDIMYIYRS-CQSZACIVSA-N 309.369 3.442 0 40 DGAB CN(Cc1ccccc1)C(=O)c1noc(-c2ccc(F)cc2)n1 96105640 YGDJPWTZBXJGGJ-UHFFFAOYSA-N 311.316 3.148 0 40 DGAB COC(=O)N1CCC(N[C@H]2CCCc3ccc(F)cc32)CC1 97230593 AKXLRVWGCXZRBI-INIZCTEOSA-N 306.381 3.024 0 40 DGAB O=C(COc1nnc(-c2ccccc2)o1)c1ccc2c(c1)COC2 95438558 BBPAQXWTEUXATG-UHFFFAOYSA-N 322.320 3.029 0 40 DGAB O=c1ccc2ccc(OC[C@@H](O)c3ccccc3F)cc2o1 95439017 KLNGLCWTZVACPI-OAHLLOKOSA-N 300.285 3.045 0 40 DGAB C[C@@](Cl)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96520238 NWTZGHMPIZOYTM-CVEARBPZSA-N 324.829 3.387 0 40 DGAB CC[C@H](C)n1ccc(NCc2cnn(CC(F)(F)F)c2)n1 256053374 REABSFRSPDUZQE-JTQLQIEISA-N 301.316 3.225 0 40 DGAB CC(=O)c1ccc(NC(=O)NC2(C(F)(F)F)CCC2)cc1 585079565 SGFZPAUUVJAXHA-UHFFFAOYSA-N 300.280 3.496 0 40 DGAB COc1cnc(F)c(CN[C@H](C)[C@H](c2ccccc2)N(C)C)c1 585117685 SJHCXAIUUSSYJZ-CXAGYDPISA-N 317.408 3.010 0 40 DGAB O=C(NCCCOc1ccccc1F)NOCc1ccccc1 45862755 MRNZIXPYYYXRSE-UHFFFAOYSA-N 318.348 3.026 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@H]2CCC[C@H]21 56193874 NBCLIEABDLFMJB-SJORKVTESA-N 314.360 3.076 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N[C@@H]1CCCC[C@@H]1C 68962510 QKTWLKCUOBOGPG-DZGCQCFKSA-N 317.433 3.060 0 40 DGAB CN(CC1CCC1)C(=O)c1ccc(-c2nc(C3CC3)no2)cc1 81535738 NAYBVFHBSPBAAH-UHFFFAOYSA-N 311.385 3.486 0 40 DGAB CC(C)OC(=O)CCC(=O)Nc1ccc(Br)cc1 5481860 UROOQGJQHCAZCR-UHFFFAOYSA-N 314.179 3.119 0 40 DGAB Cc1cccc(C)c1Nc1nnc(Cc2ccc(F)cc2)c(=O)[nH]1 5154362 NJOTZGNONMFWQK-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB Cc1cc(C)c(COC(=O)CNC(=O)c2ccccc2)c(C)c1 5534603 SPQAOHSQRLRXPS-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB CSc1ncc(C(=O)NC2(c3ccccc3)CCCC2)cn1 12197444 TYHCHJANVZWZNQ-UHFFFAOYSA-N 313.426 3.398 0 40 DGAB c1cncc(-c2nc(N3CCOCC3)ncc2-c2ccsc2)c1 12251629 USFLLAGQINEHMO-UHFFFAOYSA-N 324.409 3.104 0 40 DGAB COc1cc(NC(=O)c2cc(F)cc(F)c2)cc(OC)c1OC 12880860 PDERYYPKKOXQDT-UHFFFAOYSA-N 323.295 3.243 0 40 DGAB Cc1ccc(OCC(=O)NCCSc2ccccc2)cc1 18214305 LRTHJUYCGULYOC-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB COc1cc(CN2CCCCC[C@@H]2c2ccn(C)n2)ccc1O 19291069 IBTFBCKVQJWFCW-MRXNPFEDSA-N 315.417 3.252 0 40 DGAB COc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 19555034 BUEAUEIOPNOKSY-UHFFFAOYSA-N 322.412 3.346 0 40 DGAB O=C1N[C@@]2(CCc3ccccc31)CCN(Cc1ccccc1F)C2 19375260 ICZWMUYKMUXQDB-FQEVSTJZSA-N 324.399 3.146 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2cccc(SC)c2)cc1 8275202 WQZGZGOKIQCINA-UHFFFAOYSA-N 301.367 3.447 0 40 DGAB O=C(CSc1nnc(-c2ccncc2)o1)c1cccs1 10188223 UYTOGONRXNXZFF-UHFFFAOYSA-N 303.368 3.168 0 40 DGAB c1cncc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)c1 1775973066 GXOZLZJRPGDEGN-UHFFFAOYSA-N 304.397 3.366 0 40 DGAB O=C(Cn1cccc1)N1CCS[C@H](c2ccccc2F)CC1 219118014 MDJFJRHAFRWOSM-INIZCTEOSA-N 318.417 3.334 0 40 DGAB O=C(c1ccc(OCCN2CCCC2)cc1)C(F)(F)Cl 575243191 XBOUQYHUPHXBCU-UHFFFAOYSA-N 303.736 3.176 0 40 DGAB O=C(CCSc1ccccc1)N1CC[C@H](OCC2CC2)C1 390831395 ROKQTECQVQNYAN-HNNXBMFYSA-N 305.443 3.196 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2cccc(Cl)c2)C1 108150820 XPHMOBFXNKIPMN-HNNXBMFYSA-N 308.853 3.467 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccc(C)o1)c1cccs1 40485287 FAIZHRIZVNYKGV-AAEUAGOBSA-N 320.414 3.094 0 40 DGAB CC(=O)NCc1ccc(C(=O)N2CCCCc3ccccc32)cc1 40548606 CIMUPPCNFNPSHJ-UHFFFAOYSA-N 322.408 3.306 0 40 DGAB CCCC(=O)Nc1ccc(F)cc1I 20581701 MJTNIEXQQWEKNR-UHFFFAOYSA-N 307.106 3.169 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)n3nnnc3N2)cc1 222118 QYJGWUOROFQNSH-CVEARBPZSA-N 309.348 3.267 0 40 DGAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cn4)C[C@H]1CC[C@]23C 167208 ZGARUBWYPAYASO-NWLYGAKOSA-N 306.793 3.269 0 40 DGAB CCC(CC)NC(=O)COC(=O)c1cc(C)nc2ccccc12 2630541 ATVPWZLVXFOHGK-UHFFFAOYSA-N 314.385 3.005 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 102328182 JYRNXDJHWBLHAC-MRBYEJRBSA-N 315.385 3.068 0 40 DGAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1F 3393031 YNVAXTNAVBYNLT-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1cc([C@@H]2C[C@]3(C)OC(=O)[C@H]2C[C@H]3C)cc(OC)c1OC 4783068 BFQBLOYFZKCMNH-AWVJWHHFSA-N 320.385 3.158 0 40 DGAB CCOc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 6402623 XRUYTABIDYQTOP-AWEZNQCLSA-N 324.380 3.077 0 40 DGAB O=C(c1cc(Cl)ccn1)n1cccc/c1=N\C1CCCCC1 21900009 YDPIJBBSYUCLPI-CAPFRKAQSA-N 315.804 3.458 0 40 DGAB CCCc1n[nH]c(SCC[S@](=O)c2cc(C)ccc2C)n1 53683397 FZIQBGDJBICOCB-OAQYLSRUSA-N 323.487 3.274 0 40 DGAB O=C(Nc1cnc2ccccc2c1)c1ccc(-n2cccn2)nc1 42660268 MAFAMXFXPOCUPO-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CCc1ccccc1NC(=O)COc1cccc(NC(C)=O)c1 103712187 FTANZUSNXKUKMQ-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c1 102073088 YUQSPGRLVDNISK-VZSXATARSA-N 311.381 3.011 0 40 DGAB Cn1nc(C(F)(F)F)c(C(=O)NCc2ccccc2)c1Cl 3128546 FTQRNHWMPBSFMZ-UHFFFAOYSA-N 317.698 3.022 0 40 DGAB C[C@H]1CCCCN1[C@H](C)CNC(=O)Nc1ccc(F)c(F)c1 105724053 GMMFLFPYJXFBGZ-NWDGAFQWSA-N 311.376 3.349 0 40 DGAB O=C(CCc1ccco1)Nc1cccc(N2CCCCC2=O)c1 24941487 DCTWGYBQHUIKPT-UHFFFAOYSA-N 312.369 3.368 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1cccc(C(F)(F)F)c1 1400755 FECCBZQSGCSEQY-UHFFFAOYSA-N 321.254 3.433 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)s1 3237352 STLZKMHYAUAJOR-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB O=C(Nc1cccc(I)c1)C1CCCC1 3281676 YBQPCZQDHYXDDW-UHFFFAOYSA-N 315.154 3.420 0 40 DGAB CCCOC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1778839 CFIUNVWMENNPLU-LLVKDONJSA-N 316.353 3.002 0 40 DGAB Cc1ccc(NC(=O)CN(C)Cc2cnn(C(C)(C)C)c2)cc1 97032527 FRFXNAPYMNBJOQ-UHFFFAOYSA-N 314.433 3.017 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccn1C 3297536 MDNDDGAMPQNOTB-YCPHGPKFSA-N 321.417 3.186 0 40 DGAB CC[C@H](NC(=O)CN1CCSC1=O)c1ccc(Cl)cc1 48237168 PISVFDSTHHQTDM-LBPRGKRZSA-N 312.822 3.076 0 40 DGAB O=C(c1cnccn1)N(CCc1ccccc1)c1ccccc1 58218547 REOFKQVPOHGLOU-UHFFFAOYSA-N 303.365 3.366 0 40 DGAB Cc1cc(C)n(-c2cccc(NC(=O)N3CCSCC3)c2)n1 44972867 FIRXOAJOLIXDDY-UHFFFAOYSA-N 316.430 3.070 0 40 DGAB Cc1nc2ccccc2nc1S[C@H](C)C(=O)NCC(C)C 28191511 NJTRBHGLEYOAGA-GFCCVEGCSA-N 303.431 3.191 0 40 DGAB CCCOc1ccc(N2C(=O)C(Cl)=C(Cl)C2=O)cc1 2337407 QXZFBQUVJZYTEL-UHFFFAOYSA-N 300.141 3.038 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CCCc2cc(F)cc(F)c21 36754074 VSQWVPWXNWSTBP-MLGOLLRUSA-N 322.399 3.412 0 40 DGAB Cc1nnc(COc2ccc(NC(=O)c3ccccc3)cc2)o1 72267319 YVBRCJJOPBIWKM-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB Cc1noc(C)c1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 63199086 PQPYQWXPSAZQQM-UHFFFAOYSA-N 322.430 3.067 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 408706848 GBCIXSDYYSZORI-PBHICJAKSA-N 316.445 3.121 0 40 DGAB Cn1cnc2c(oc3nc(-c4ccco4)c4c(c32)CCCC4)c1=O 13690903 PXFCVBDHTBMNLH-UHFFFAOYSA-N 321.336 3.214 0 40 DGAB CCCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)C 13750819 SUPWWIRTPRHCBB-UHFFFAOYSA-N 300.402 3.313 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCN(c2ccccn2)CC1 19119286 CVTQJBOLDXHJAP-UHFFFAOYSA-N 316.792 3.089 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2noc3ccccc23)c1 19199411 AIRYTVXHWKJRCJ-UHFFFAOYSA-N 312.325 3.026 0 40 DGAB COc1cc(OC)cc(O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 5497580 NLQSFTOSGVERKG-LLVKDONJSA-N 319.332 3.249 0 40 DGAB O=C(NCCCOC[C@@H]1CCCO1)Nc1cccc(Cl)c1 8942247 ZEFUVYOZUSSOPD-AWEZNQCLSA-N 312.797 3.047 0 40 DGAB CCn1c(NC(=O)COc2ccc(C)cc2)nc2ccccc21 4941615 BESOAGYGWDAHPY-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB c1csc(-c2cnc(Cn3nnc(-c4ccsc4)n3)o2)c1 67428859 NTLFINRIPDGQHY-UHFFFAOYSA-N 315.383 3.166 0 40 DGAB CC(C)(C)[C@H](NC(=O)Nc1ccc(Cl)cc1Cl)C(N)=O 84241011 XSUCHWMAOKLRAX-SNVBAGLBSA-N 318.204 3.015 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2csc(C(C)C)n2)c1 70022052 CMHWYHZLPPMABK-ZDUSSCGKSA-N 318.446 3.076 0 40 DGAB CCc1nnc(SCc2nc3c(F)cccc3n2CC)n1C 69591992 MFAJJBOXCFXALZ-UHFFFAOYSA-N 319.409 3.179 0 40 DGAB CN(CC1CCN(Cc2ccccn2)CC1)C(=O)OC(C)(C)C 69529739 YZOPRJKATUYULO-UHFFFAOYSA-N 319.449 3.161 0 40 DGAB C[C@H](NC(=O)Nc1nncs1)c1nc(C(C)(C)C)cs1 69698266 JAEXBRQHKSEOJK-ZETCQYMHSA-N 311.436 3.175 0 40 DGAB Cc1nccn1CCCNC(=O)C[C@H]1CCCc2ccccc21 71888253 GMNUZLIQKSIBJY-QGZVFWFLSA-N 311.429 3.208 0 40 DGAB C[C@H](Nc1cccc(NC(=O)CO)c1)c1c(F)cccc1F 71902719 AOQSYUNLQZYEHO-JTQLQIEISA-N 306.312 3.069 0 40 DGAB Cc1nnc([C@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)o1 76046803 ZAZCAILNUVBVEE-GXFFZTMASA-N 303.410 3.058 0 40 DGAB CC[C@@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 84734728 NNYKVZOJDVMCQT-ZIAGYGMSSA-N 304.419 3.096 0 40 DGAB C[C@@H]1N(C(=O)Nc2cccc(OC(F)F)c2)CCOC1(C)C 95422292 XVOPWWZCQMVIFZ-JTQLQIEISA-N 314.332 3.319 0 40 DGAB OCC1(COc2ccc(-c3ccccc3)cc2Cl)COC1 84852854 PUUYIFCVIKBRQB-UHFFFAOYSA-N 304.773 3.395 0 40 DGAB CCN(CC)C(=O)c1cccc(OC(=O)c2ccc(C)nc2)c1 78870298 XMCDYDFMJUSSGL-UHFFFAOYSA-N 312.369 3.091 0 40 DGAB CC(C)[C@@H](C)SCC(=O)Nc1cccc(C(=O)N(C)C)c1 79082359 VYCOOHSUDQZSAM-GFCCVEGCSA-N 308.447 3.105 0 40 DGAB O=C1NCCN(Cc2ccc(OC(F)F)cc2)c2ccccc21 95983816 XELGXCJOPXJRPK-UHFFFAOYSA-N 318.323 3.038 0 40 DGAB CC(=O)Nc1nc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 89265654 CSZZTUKDPLHYKA-RYUDHWBXSA-N 320.414 3.251 0 40 DGAB COC(=O)c1ncccc1OCc1cc(-c2cccs2)on1 89401300 YHFQHDFHKZQYEE-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@H](Oc2cccnc2)C1 89814141 CLVLANQPVVTRLK-ZDUSSCGKSA-N 317.776 3.420 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2cc(F)ccc2C)CC1 73743100 RVCLIFOCUVECEB-UHFFFAOYSA-N 306.381 3.158 0 40 DGAB COc1ccc(N(C)S(=O)(=O)c2ccc(SC)cc2)cc1 30954858 MEYZHYRSVQTFKB-UHFFFAOYSA-N 323.439 3.242 0 40 DGAB O=C1Nc2ccccc2[C@@H]1Cc1ccc(O)c(Br)c1 217473613 FSXMDVYLGSUCLI-NSHDSACASA-N 318.170 3.433 0 40 DGAB CC(C)[C@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 72055234 DGHQYUQGNVQNJZ-AWEZNQCLSA-N 306.425 3.198 0 40 DGAB CC(C)N1CCOC[C@H]1c1nc(-c2ccc(F)cc2F)c[nH]1 72322014 YKWASDOOHUOEBX-HNNXBMFYSA-N 307.344 3.137 0 40 DGAB biogenic,in-vitro Cc1c(C)n(CCCN(C)C)c2nc3c(c(N)c12)CCCCC3 49543393 SSVHBRHKXLMCQA-UHFFFAOYSA-N 314.477 3.456 0 40 DGAB biogenic CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccncc1 225585102 BNKXBYOHYIKAKJ-OAHLLOKOSA-N 306.479 3.023 0 40 DGAB C[C@]1(C(=O)NC2CCCC2)CC(c2ccccc2Cl)=NO1 96192869 PVRBQXUHYSLKKW-MRXNPFEDSA-N 306.793 3.282 0 40 DGAB C(=C/c1ccccc1)\CNC1CCN(CCc2ccncc2)CC1 96403166 IYFSZQRTJSBNPJ-QPJJXVBHSA-N 321.468 3.392 0 40 DGAB O=C(c1cccc(F)c1)N1CC[C@H](N2CCc3ccccc3C2)C1 238852244 JOIIEZKZAIBFON-IBGZPJMESA-N 324.399 3.099 0 40 DGAB O=C1N(CC2CC2)[C@H](c2ccccc2)C12CCN(CC1CC1)CC2 96100276 JOIBAWINBPTLMV-LJQANCHMSA-N 324.468 3.472 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2Cc2c(C)nc3sccn23)n1 257289748 QAACJRTVPDJBCH-GFCCVEGCSA-N 301.419 3.073 0 40 DGAB CC1(C)OC[C@H]2C[C@]21NC(=O)Nc1ccc(F)c(C2CC2)c1 529094200 CTKADJJWKCMQRU-DIFFPNOSSA-N 304.365 3.392 0 40 DGAB CC(C)Oc1ccc([C@H]2CNCCN2Cc2cccnc2)cc1 257207692 BIUCJHBDUOOYPC-LJQANCHMSA-N 311.429 3.015 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccc(-c3ncc(C)s3)cn2)C1 257232300 GKGQATUQKQGRHC-CQSZACIVSA-N 301.415 3.239 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2cccc3cccnc23)n1 257269769 MRHUOWFEBWKSQI-QGZVFWFLSA-N 319.412 3.404 0 40 DGAB CC[C@@H](NC(=O)Cc1cccc(C(=O)O)c1)c1cccs1 262104655 HWBNAOBZEHQPBK-CYBMUJFWSA-N 303.383 3.256 0 40 DGAB CCOC(=O)Nc1ccccc1Cc1nc(-c2ccco2)no1 96119678 WVHFUMBCHRTQGA-UHFFFAOYSA-N 313.313 3.489 0 40 DGAB O=C(NC[C@H]1CCOC1)N(Cc1ccco1)Cc1cccs1 47068150 LGJVIUQATOUACF-CYBMUJFWSA-N 320.414 3.089 0 40 DGAB Clc1ccc(N2CCN(c3cnccn3)CC2)cc1Cl 664252141 HZSZMENFZKVHTF-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB CCCCCCNS(=O)(=O)c1ccc(Br)cc1 5418116 AYBASPXUBJXLKE-UHFFFAOYSA-N 320.252 3.308 0 40 DGAB CCOc1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 5464343 GBOBVRIHTWSUAU-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(COc2ccccc2)cc1 5774881 VQFJTXQLYBFMLA-SFHVURJKSA-N 311.381 3.174 0 40 DGAB COCCOCCCNC(=O)Nc1cccc2ccccc12 11006150 IVZPIUMIOKYFHP-UHFFFAOYSA-N 302.374 3.014 0 40 DGAB CCCCOc1cc(S(=O)(=O)NC(C)C)ccc1Cl 11614124 ZLCBYTYMYVZEPH-UHFFFAOYSA-N 305.827 3.206 0 40 DGAB O=C(NCc1ccco1)Nc1c[nH]c2c(Cl)cccc2c1=O 13565980 JTUOMDNDBXLCRL-UHFFFAOYSA-N 317.732 3.096 0 40 DGAB CCc1ccccc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937213 RDZXFZCVGRKWKV-UHFFFAOYSA-N 319.364 3.252 0 40 DGAB Cc1nc(CNCCOc2ccc(C(F)(F)F)cn2)cs1 152203051 RNDVZECVWOYVAH-UHFFFAOYSA-N 317.336 3.034 0 40 DGAB Cc1nc(C)c(C(=O)NC2(Cc3cccc(Cl)c3)CC2)o1 521394759 DLBWLIAFHGSJAR-UHFFFAOYSA-N 304.777 3.450 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@](CC(=O)O)(c2ccccc2)C1 12336547 BQZNDFIYDIEHDB-QGZVFWFLSA-N 305.374 3.040 0 40 DGAB Cc1ccc(OCC(=O)N2CCC(C)CC2)c2c1[C@H](C)CC2=O 8767000 RISUMKCBKZIXLN-CQSZACIVSA-N 315.413 3.322 0 40 DGAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@H]1CCCO1 27906624 KVYIECXCIUUILQ-ZUZCIYMTSA-N 319.792 3.027 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)/C(Cl)=C(/Cl)C(=O)O 1616823 HDNSTGGEYNJTTN-HJWRWDBZSA-N 308.548 3.361 0 40 DGAB CC(=O)N1CCCc2ccc(NC(=O)c3cccs3)cc21 5154244 XUBBODZPRAUWRN-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB Cc1ccc([C@H](CNC(=O)CCc2ccccc2)N(C)C)cc1 10328883 XCUHXEPOIOKXQP-IBGZPJMESA-N 310.441 3.347 0 40 DGAB Cn1/c(=N\C(=O)c2c(F)cccc2F)sc2cc(F)ccc21 11853033 FLOVOADOMFFOMT-XDJHFCHBSA-N 322.311 3.398 0 40 DGAB COc1ccc(OC)c(NC(=O)c2oc3ccccc3c2N)c1 19724418 DGCQOBHFPBUPQU-UHFFFAOYSA-N 312.325 3.285 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CO)c1ccc(OC(F)(F)F)cc1 584644146 YBVYDJCKBXFJOI-LLVKDONJSA-N 321.295 3.143 0 40 DGAB CN(CCCNC(=O)NCCc1cccs1)c1ccccc1 40068983 FAAFGYOVJWMSKB-UHFFFAOYSA-N 317.458 3.116 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44772 USWJNXUVYBJYHV-CQSZACIVSA-N 324.380 3.077 0 40 DGAB O=C1Nc2ccccc2[C@]12CCN[C@H]2c1c(F)cccc1Cl 40286036 POYCKBAKVBLREV-RDJZCZTQSA-N 316.763 3.404 0 40 DGAB O=C(Nc1ccccn1)c1cnn(-c2ccccc2)c1C1CC1 40497884 LVILQFRZBFKAHR-UHFFFAOYSA-N 304.353 3.397 0 40 DGAB CCN(CC)C(=O)C1CCN(C[C@@H](C)c2ccccc2)CC1 299503 VOMUEUVFRHDFQZ-MRXNPFEDSA-N 302.462 3.371 0 40 DGAB COCc1nnc(NC(=O)c2ccc(Cl)c(Cl)c2)s1 149125 DOIIARYMLCGFLA-UHFFFAOYSA-N 318.185 3.244 0 40 DGAB O=C(CCC(=O)c1cccs1)Nc1ccc2c(c1)OCO2 2645857 OLOASFDXLGVDLW-UHFFFAOYSA-N 303.339 3.078 0 40 DGAB Clc1ccccc1C(Nc1cnccn1)Nc1cnccn1 1585160 COJBKZKCFNWXGE-UHFFFAOYSA-N 312.764 3.143 0 40 DGAB in-vitro O=[S@](Cc1nc(-c2ccsc2)no1)Cc1ccccc1F 32801255 UQVHDJFXEKDDCG-OAQYLSRUSA-N 322.386 3.386 0 40 DGAB O=C(COc1ccccc1Cl)Nc1nnc(C2CC2)s1 3552806 QWKZAJMDFREAJM-UHFFFAOYSA-N 309.778 3.086 0 40 DGAB [O-][n+]1c2c(n(O)c1-c1ccncc1)-c1cccc3cccc-2c13 6276694 KBAFGBOXOHYWBR-UHFFFAOYSA-N 301.305 3.221 0 40 DGAB O=C1[C@@H]2Cc3c([nH]c4ccccc34)CN2C(=O)N1c1ccccc1 486058 BEWLTTITMKHYGW-KRWDZBQOSA-N 317.348 3.061 0 40 DGAB biogenic COc1ccc(S(=O)(=O)Nc2ccc(C)cc2Cl)cc1 7403937 AITUCWRZEJOPMA-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CCCOc1cc(S(=O)(=O)N2CCCCC2)c(C)cc1C 8714655 VHFVSMOCVNWNBQ-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB O=C(Nc1ccc2oc(-c3cccnc3)nc2c1)C(F)(F)F 8071088 GYCAZQZMPFTKGJ-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB O=C(O)c1ccc(-n2c(-c3cccs3)n[nH]c2=S)cc1 550855 ZXNULKWOUQPMMS-UHFFFAOYSA-N 303.368 3.357 0 40 DGAB CCCCOCCCNC(=O)c1cnc2onc(C(C)C)c2c1 22201556 FKBFJFUCAMLFBG-UHFFFAOYSA-N 319.405 3.283 0 40 DGAB CCc1nc(CN(C)Cc2cc(C(=O)OC)c(C)o2)cs1 42632106 HGCYRNFTRHWAND-UHFFFAOYSA-N 308.403 3.026 0 40 DGAB COc1ccc(CN[C@H](CN2CCCC2=O)c2ccccc2)cc1 47794746 VUOUDPHOGNAMNG-LJQANCHMSA-N 324.424 3.149 0 40 DGAB Cc1ccc(N2C(=O)C[C@@]3(C[C@H]4C=C[C@H]3C4)C2=O)cc1Cl 100771018 GXOZXNMLJNKKHT-NVGCLXPQSA-N 301.773 3.494 0 40 DGAB CCc1ccc(C(=O)Nc2cnn(CC(F)(F)F)c2)s1 72287908 LZPKRKXBHZGXOX-UHFFFAOYSA-N 303.309 3.322 0 40 DGAB Cc1cc(CN(C)C(=O)c2cccnc2SC(C)C)no1 47866788 INKXVJGNSYCABM-UHFFFAOYSA-N 305.403 3.151 0 40 DGAB O=C(CSc1ccc(O)cc1)Nc1ccnn1C1CCCC1 47894872 DVHQQPZUGHYOBT-UHFFFAOYSA-N 317.414 3.435 0 40 DGAB O=C(c1ccc(Cl)nc1)N(C[C@H]1CCCO1)C1CCCC1 76041017 QJPZSWZRRUPMSR-CQSZACIVSA-N 308.809 3.299 0 40 DGAB C[C@H](NC(=O)NCc1cccs1)c1ccc2c(c1)OCCO2 44889808 GDHINIFYXKJTSA-NSHDSACASA-N 318.398 3.080 0 40 DGAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1F 44890282 OEYCVMYRUCFGHS-XJKSGUPXSA-N 313.376 3.121 0 40 DGAB Cc1cccc(C)c1OC[C@@H](C)NC(=O)c1cc(C2CC2)on1 84225431 MEQUIPRABAZHGL-CYBMUJFWSA-N 314.385 3.366 0 40 DGAB C[C@H](Oc1ccccc1C#N)C(=O)N[C@H](C)c1ccc(F)cc1 3389015 JMAPPVRPHUKROF-OLZOCXBDSA-N 312.344 3.342 0 40 DGAB Cc1nn(C)cc1CNC(=O)Nc1ccccc1C(F)(F)F 28218885 SUAQODRUCVEHFH-UHFFFAOYSA-N 312.295 3.069 0 40 DGAB O=C(Cc1nc2c(s1)CCc1ccccc1-2)NCc1ccco1 78548797 YKZFOEGIFJLYRX-UHFFFAOYSA-N 324.405 3.361 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cc2ccccc2[nH]1 12941975 XIFKEQNEQPVOKY-QGZVFWFLSA-N 323.396 3.328 0 40 DGAB CNc1nc(Nc2ccc(Cl)cc2C)c2nccnc2n1 13010884 BZLUDKLAVQVXJT-UHFFFAOYSA-N 300.753 3.167 0 40 DGAB Cn1cc(NC(=O)c2c[nH]cc2-c2ccc(Cl)s2)cn1 48990256 BTBCYJOUMINQNE-UHFFFAOYSA-N 306.778 3.382 0 40 DGAB Cc1ccn2c(=O)nc(SCc3ccc(Cl)cc3)nc2c1 4041250 UFBGIEDDRYBQNW-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)NCCN(C)C1CC1 65430403 POHUVNVVHVZTNH-UHFFFAOYSA-N 321.471 3.004 0 40 DGAB Cc1noc2nc(-c3ccco3)cc(C(=O)NCc3ccco3)c12 14253879 UJAADICZHYHCAM-UHFFFAOYSA-N 323.308 3.314 0 40 DGAB Cc1ccc(CN2CCC[C@@H](c3nnc4n3CCC4)C2)c(C)c1 93134200 KTRCZUMCYJQWIX-QGZVFWFLSA-N 310.445 3.221 0 40 DGAB CC(=O)c1ccc(OC[C@H](O)CNC2CCCCCCC2)cc1 6649846 HJPMJYLHJNOKIC-GOSISDBHSA-N 319.445 3.331 0 40 DGAB Cc1nnc(NC(=O)CCCc2c[nH]c3ccccc23)s1 14715814 XUBPPIKYGSSTLI-UHFFFAOYSA-N 300.387 3.289 0 40 DGAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccco1 6813612 VEVLGMAOALKDRO-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc1 9273248 AYCBKIQBVPYXTL-UHFFFAOYSA-N 308.389 3.016 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCO3)cc1 15267407 MXYFKQFACSWOQO-UHFFFAOYSA-N 311.337 3.325 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1 5900202 HYILMJCPSUIYFA-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccccc2F)c2nccn2C)cc1 15544845 YAYMMLMFJFZBAO-KRWDZBQOSA-N 323.371 3.387 0 40 DGAB COCCCNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344954 OHNFSBKFOFLZBW-QWHCGFSZSA-N 302.201 3.250 0 40 DGAB O=c1c(NCC2(c3ccncc3)CCCCC2)nccn1C1CC1 96011355 PWYOURXIZHCQRX-UHFFFAOYSA-N 324.428 3.287 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2C)cc1 69772346 ITSVIQRZHRHAAC-ZUOKHONESA-N 322.408 3.237 0 40 DGAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccccn1 9530710 HMMRIYDMGDYQMD-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB C[C@H](c1ccc(F)cc1F)N1CCN(C(=O)c2ccoc2)CC1 71821739 VBNNMXVFHYONQX-GFCCVEGCSA-N 320.339 3.077 0 40 DGAB CCOc1cc(S(=O)(=O)NCC2=CCCCC2)ccc1F 19942806 NVGIMVLWILUCHV-UHFFFAOYSA-N 313.394 3.003 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)N(C)c2cccc(C)c2)c1 72331171 ADYARUSUEVHLTD-UHFFFAOYSA-N 311.381 3.052 0 40 DGAB CCCCOCC(=O)N[C@@H](c1ccc(F)cc1)c1cccnc1 95398487 RQKRDEHLRZPFTE-SFHVURJKSA-N 316.376 3.243 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426106 BEEVOXQZUPNMRI-UONOGXRCSA-N 306.406 3.002 0 40 DGAB CN(C)CC(=O)Nc1ccc(NC(=O)CC2=CCCCC2)cc1 73305105 ZSVWLNNJIXWUHA-UHFFFAOYSA-N 315.417 3.016 0 40 DGAB C[S@@](=O)c1ccc(CNc2nnc(C3CCCCC3)o2)cc1 95992309 ULJADEFOHVZOFN-QFIPXVFZSA-N 319.430 3.467 0 40 DGAB Clc1cccc2c1CC[C@@H]2N1CCC(n2cncn2)CC1 89800156 SKGNCCQATYJOAY-INIZCTEOSA-N 302.809 3.256 0 40 DGAB O=C(c1c[nH]c2ccccc12)[C@@H](c1ccccc1)N1CCOCC1 25685941 OAWGPVDLBSNHGZ-LJQANCHMSA-N 320.392 3.424 0 40 DGAB C[C@@H](NC(=O)/C=C/c1cccc(Oc2ccccc2)c1)C(=O)O 62715460 NKEJRQNPDGJGGS-OCHBPSSRSA-N 311.337 3.081 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cccc(Oc2ncccn2)c1 56907089 HCUHDUPNKBFGAB-UHFFFAOYSA-N 323.327 3.338 0 40 DGAB Cc1nc(N2CCN(C(C)C)CC2)ccc1C(=O)c1ccccc1 72224749 QBEDTMYNWISJPO-UHFFFAOYSA-N 323.440 3.151 0 40 DGAB O=C(Cn1cnc2ccccc21)NCc1cc2ccccc2o1 540962940 QFWRYMMVEVKLKV-UHFFFAOYSA-N 305.337 3.099 0 40 DGAB Cc1nccn1C[C@@H](O)COc1ccc(-c2ccccc2)cc1 35170674 GKCMHCVNBWPDEK-GOSISDBHSA-N 308.381 3.298 0 40 DGAB CCCCN(C(=O)C1CC1)c1nc(C)c(C(=O)OCC)s1 36612272 IFWXPOHILATCBA-UHFFFAOYSA-N 310.419 3.171 0 40 DGAB O=C(c1cncs1)N1CC[C@H](Cc2cccc3cccnc23)C1 72368466 KZBJGMQAOGHVIB-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB COC[C@@H](C)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 559347883 SHZNQNCNOGYQDM-OAHLLOKOSA-N 324.424 3.265 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CCC2=O 77311989 YUQOAWJBIXWZRK-HHDFAXHISA-N 306.402 3.232 0 40 DGAB in-vitro C[C@H](c1cccnc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 79353579 VAANVLQUAVEBLF-OAGJVSPASA-N 321.424 3.000 0 40 DGAB O=C1C[C@@H](c2cccnc2)c2ncn(-c3cccc(Cl)c3)c2N1 35325580 USHXPQDMWKJIJM-AWEZNQCLSA-N 324.771 3.395 0 40 DGAB CC[C@@](O)(C1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 72208680 UZNPJLFVJJKFTO-CYBMUJFWSA-N 311.344 3.337 0 40 DGAB O=C(c1cccnc1)N1CC[C@@H](Cc2cncc3ccccc23)C1 72368236 CHGHFDVJAOQKKA-HNNXBMFYSA-N 317.392 3.335 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)N[C@H](C)c3ccccc3)ccc2N1 78403792 KLYKFGMIGUTJDO-QWHCGFSZSA-N 316.426 3.083 0 40 DGAB CCOC(C)(C)C(=O)Nc1ccc(OCCN(CC)CC)cc1 225647189 ASCDSSJIIRLFBV-UHFFFAOYSA-N 322.449 3.161 0 40 DGAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(C)cc1 199416249 ZOTUREJAUOYZPB-IBGZPJMESA-N 309.409 3.485 0 40 DGAB O=C(Cn1ccc2c(Cl)cccc21)N=c1[nH]c2ccccc2[nH]1 40283285 VXUZSIXHWXGBHA-UHFFFAOYSA-N 324.771 3.232 0 40 DGAB O=C1CCC[C@@H]1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12 329258653 YMIPNHCHMFHMOB-IAGOWNOFSA-N 322.408 3.138 0 40 DGAB Cc1ccc(CS(=O)(=O)NC(C)(C)Cc2ccccc2)cc1 40621165 IILFOOKXVOLXCC-UHFFFAOYSA-N 317.454 3.436 0 40 DGAB COc1ccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225102673 YVMHJPWUDDYCHQ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB C[C@@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccco2)C1 195531859 KGUFSKGJOTZUAT-CZUORRHYSA-N 323.396 3.489 0 40 DGAB Cc1ccccc1C(=O)N1CC[C@@H](N2CCc3ccccc3C2)C1 238866494 LWUJVCXSUBLQOE-LJQANCHMSA-N 320.436 3.268 0 40 DGAB O=C(NC1CC1)C1=CC2(CCN(CC3CC3)CC2)c2ccccc21 96241624 ZTGVURHHESHZMN-UHFFFAOYSA-N 322.452 3.106 0 40 DGAB C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 95422863 FNPQCDJKTZNANN-CMPLNLGQSA-N 314.401 3.273 0 40 DGAB CCC(=O)N1CCC[C@H](C(=O)N2CCCC3(CCCCC3)C2)C1 96405515 NQMVICOOBAGHNZ-INIZCTEOSA-N 320.477 3.208 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@@H]1CCOC1 96459200 ILDVEKCAWSAFMX-ZCFIWIBFSA-N 322.561 3.217 0 40 DGAB CCn1cc(CC(=O)N2CC[C@H](c3cccc(Cl)c3)C2)cn1 579041496 RGNLDQNXCFAZLL-HNNXBMFYSA-N 317.820 3.115 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1cccc(F)c1 97377262 HVXKDGZNDNMRIU-LLVKDONJSA-N 304.369 3.216 0 40 DGAB Cc1ccccc1-c1cnc(NC(=O)C[C@@H]2CCOC2)s1 96450223 KDPXPQDBLJHRQD-LBPRGKRZSA-N 302.399 3.484 0 40 DGAB C=CN1C(Cl)=C(C(=O)OCC)C=N/C1=C(/C)Br 95829740 YHBZCJWOLUFYMQ-JXMROGBWSA-N 319.586 3.114 0 40 DGAB Fc1cccc(CN2CCC(NC[C@@H]3CCCS3)CC2)c1 96479265 DIMGLLSGTRECBC-KRWDZBQOSA-N 308.466 3.275 0 40 DGAB C[C@@]1(C(=O)Nc2nccs2)CC(c2ccccc2Cl)=NO1 96192589 KQCUIAZMIYOGPW-AWEZNQCLSA-N 321.789 3.318 0 40 DGAB Cc1nc(CN2CCCC[C@H]2c2ccn3nccc3n2)cs1 257275309 NOVLXJJFUIUUMI-HNNXBMFYSA-N 313.430 3.221 0 40 DGAB OCC[C@@H](NCc1cc(Cl)ccc1OC(F)F)C(F)F 585116533 AATRWYGUBWMVRG-SECBINFHSA-N 315.694 3.047 0 40 DGAB COCC[C@@H](C)NCc1nc(Cl)ccc1Br 585118684 YEKSORBKXOEROC-MRVPVSSYSA-N 307.619 3.012 0 40 DGAB Cc1cncc([C@@H]2CCCN2Cc2nc3ccccc3n2C)n1 257320899 VZDJAQPBZPINMA-KRWDZBQOSA-N 307.401 3.009 0 40 DGAB Cc1ccnc([C@@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 257310615 UFWYMIDBFGHKRE-MRXNPFEDSA-N 319.412 3.165 0 40 DGAB C[C@H]1[C@@H](C(=O)O)CC[C@@H](C)N1Cc1ccc(C(F)(F)F)cn1 569868385 CDMNBIOBUZNJHL-NRUUGDAUSA-N 316.323 3.174 0 40 DGAB O=S1(=O)C=C[C@@H](N(Cc2cccc(F)c2)c2ccccc2)C1 575420468 IXFFGGKZMMRHQA-QGZVFWFLSA-N 317.385 3.143 0 40 DGAB CCN1C(=O)CC[C@]12CCCN(Cc1cc(F)ccc1F)CC2 585100737 VAPUXJDPQJEBOS-SFHVURJKSA-N 322.399 3.332 0 40 DGAB O=C(c1csc(-c2ccsc2)n1)N1CCO[C@H]2CCC[C@@H]21 53384357 PPXAWXOZTUEGHO-STQMWFEESA-N 320.439 3.265 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCCOc1ccc(F)cc1 62443516 SGHMJSRDTQXIRH-UHFFFAOYSA-N 320.364 3.444 0 40 DGAB Cn1cncc1[C@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 1551829355 DFXWWQGSWQUELO-AWEZNQCLSA-N 317.820 3.022 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCOc2ccncc21 79022459 AZBNXIQGTRXPJI-UHFFFAOYSA-N 308.259 3.140 0 40 DGAB CC(=O)Nc1cccc(OC(=O)C(Cl)=C(Cl)Cl)c1 159331 SSFXOAHYIGVCHB-UHFFFAOYSA-N 308.548 3.436 0 40 DGAB O=c1oc(-c2cccc3ncccc23)nn1Cc1ccccc1F 5002410 XZYVWGKATBNMFG-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB Cc1cc(C)cc(C[C@@H](CC(=O)O)C(=O)NC2CCCCC2)c1 12445701 RCOYPDWUFLTDPM-INIZCTEOSA-N 317.429 3.386 0 40 DGAB CCCc1cc(OC(=O)C2CC2)n(-c2nc3ccccc3[nH]2)n1 13639575 GOUULDOIMRJZJZ-UHFFFAOYSA-N 310.357 3.017 0 40 DGAB CC(C)c1ccc(OCC(=O)NCCC2CCN(C)CC2)cc1 156339473 DJFCRUSLXONZCQ-UHFFFAOYSA-N 318.461 3.037 0 40 DGAB Cc1ccc(-c2nnc(SC[C@@H](O)C(F)(F)F)o2)cc1C 157929618 MHSHPENXRBWJEM-SNVBAGLBSA-N 318.320 3.369 0 40 DGAB COc1ccc(OC[C@@H](O)CNC(C)(C)C)c(C(C)(C)C)c1 2685825 NEGLVMYDJLCCDZ-ZDUSSCGKSA-N 309.450 3.121 0 40 DGAB Cc1nccn1CC1CN(c2nc3cc(Cl)ccc3o2)C1 1889148761 ZMRQDQLMZLPHJM-UHFFFAOYSA-N 302.765 3.123 0 40 DGAB Cc1cc2ncn(CC(=O)N3CCc4ccccc43)c2cc1C 25218822 NTTRAIVYDXOTNE-UHFFFAOYSA-N 305.381 3.242 0 40 DGAB COc1cccc([C@H](NCc2cccs2)c2nccn2C)c1 30647892 KHOFAZYFNWBFDX-INIZCTEOSA-N 313.426 3.369 0 40 DGAB C[C@@H]1C[C@@H](NCc2c(F)cccc2Br)CCN1C 390833405 HAYFLYWYDNPXCE-MNOVXSKESA-N 315.230 3.161 0 40 DGAB FC(F)(F)c1cc(=NCc2ccc(-c3ccoc3)nc2)[nH]cn1 2087145834 PVDFQZCHUHSYPE-UHFFFAOYSA-N 320.274 3.184 0 40 DGAB CN1CCCC[C@H]1C1CCN(C(=O)[C@@]2(C)CC=CCC2)CC1 1565545280 FAFQBCNZIJDBCQ-HKUYNNGSSA-N 304.478 3.456 0 40 DGAB CCCCN[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 28294202 RJQPLHAFXOMHKB-SFHVURJKSA-N 310.397 3.015 0 40 DGAB Cc1ccc(Cl)c2sc(NC(=O)c3cnccn3)nc12 49026025 FTDIDLYUMFOFSE-UHFFFAOYSA-N 304.762 3.300 0 40 DGAB CCN(C)c1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96421973 VNTLMBXJRRJLCH-MAZHCROVSA-N 317.433 3.078 0 40 DGAB CO[C@]1(CC=C(C)C)c2ccoc2C(=O)c2oc(=O)ccc21 2332242409 OPBJEKKLMMJPPR-KRWDZBQOSA-N 300.310 3.024 0 40 DGAB CN(Cc1ccc(C(C)(C)C)cc1)c1cn[nH]c(=O)c1Cl 40004972 WKZNMFWUTASGJT-UHFFFAOYSA-N 305.809 3.357 0 40 DGAB COc1cccc2sc(NC(=O)COC3CCCC3)nc12 40141417 JRVBDPGCKNWRMV-UHFFFAOYSA-N 306.387 3.203 0 40 DGAB CC(=O)c1cn(CC(=O)Nc2ccc(O)cc2)c2ccccc12 32090256 MRRKSVAAPMQGIK-UHFFFAOYSA-N 308.337 3.188 0 40 DGAB CC(C)COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 240983 XRGZXTUOCKLJSY-UHFFFAOYSA-N 323.348 3.300 0 40 DGAB CCCCCCNC(=O)NCc1ccc(N2CCCC2)nc1 29726365 WTHNXTKPGKUIJP-UHFFFAOYSA-N 304.438 3.061 0 40 DGAB Cc1ccccc1CCNC(=O)N[C@H](C)CCc1ccco1 32779700 ZQFFHAWKLIKESP-OAHLLOKOSA-N 300.402 3.451 0 40 DGAB Cc1cc(NC(=O)CSc2ncc(-c3ccccc3)[nH]2)no1 1355594 FGIUHRLZTNEAGC-UHFFFAOYSA-N 314.370 3.104 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)Cc2cccc(F)c2)c1 32754252 AVOPKWQHDDCBDJ-UHFFFAOYSA-N 304.296 3.104 0 40 DGAB O[C@H](c1cccnc1)[C@@H](CCc1ccccn1)c1ccccn1 1562924 LSZHEKVMJRHLKW-PKOBYXMFSA-N 305.381 3.322 0 40 DGAB O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)C1CCCC1 71886690 JGHSMNAQEODSMB-CYBMUJFWSA-N 301.308 3.045 0 40 DGAB Fc1ccc(N2CCN(CCOc3ccccc3)CC2)cc1 41509677 FLPIBUHDPHARRB-UHFFFAOYSA-N 300.377 3.027 0 40 DGAB COc1ccc(C(=O)N[C@H](C)Cc2ccccc2F)c(OC)c1 53192177 XMCVCVGRYJMOSZ-GFCCVEGCSA-N 317.360 3.204 0 40 DGAB CCc1cc(CNC(=O)N[C@H]2CCc3cc(Cl)ccc32)[nH]n1 76018139 KJINSDBEYMJJKE-HNNXBMFYSA-N 318.808 3.112 0 40 DGAB Cc1ccoc1C(=O)NC[C@H](O)c1ccc(Cl)cc1Cl 71898152 GDLWHOWCYRLWRH-LBPRGKRZSA-N 314.168 3.358 0 40 DGAB CCC(CC)c1cc(CNC(=O)Nc2cnn(CC)c2)on1 76066376 UXJDXHARYOIQPV-UHFFFAOYSA-N 305.382 3.116 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c(C)c1 24434495 VOPBBICHISYBLW-MRXNPFEDSA-N 316.426 3.224 0 40 DGAB COc1ccc(SCc2nc3ccsc3c(=O)[nH]2)cc1 24942930 XKMBPKMMNLWUSN-UHFFFAOYSA-N 304.396 3.286 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2[C@H](C)c2nc(C3CC3)no2)c1 106908065 SAONDQLQHXDCQR-HIFRSBDPSA-N 315.421 3.068 0 40 DGAB O=C(Nc1ccccc1C(=O)Nc1ccncc1)c1ccco1 1506666 OUZAOFXDHVLPOC-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)[C@@H]1CCCC[C@H]1C(F)(F)F 107523202 PLMGAOHVVBHDNQ-UTUOFQBUSA-N 321.364 3.266 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(F)c2)c(C)c1 1993349 ZKXZGNKPUCFVRS-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cc1)OC2=O 100260815 VSTSJMMAROPSCQ-HZPDHXFCSA-N 307.777 3.400 0 40 DGAB COCCCNC(=O)CSCc1c(Cl)cccc1Cl 2093691 PCNSEYKLAVFWEJ-UHFFFAOYSA-N 322.257 3.379 0 40 DGAB CCOC(=O)/C(=C/c1ccc(OC(C)C)cc1)c1nccn1C 58248416 RXWKUPDGGFEQNJ-FOWTUZBSSA-N 314.385 3.311 0 40 DGAB O=C(NCCC1=CCCCC1)Nc1cccnc1-n1cccn1 48198321 YSCKJVPFKIBICW-UHFFFAOYSA-N 311.389 3.279 0 40 DGAB O=C1CCCN1c1ccc(-c2csc(-c3cnccn3)n2)cc1 58356385 IPCHIZUKOQQNQE-UHFFFAOYSA-N 322.393 3.394 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)N[C@@H](C)c1ccco1 12796200 GCXFEDYWJNMCGX-OLZOCXBDSA-N 302.374 3.356 0 40 DGAB c1ccc(CNCc2c[nH]nc2-c2ccc3c(c2)OCO3)cc1 48681413 JLALKKRGCIGLSS-UHFFFAOYSA-N 307.353 3.095 0 40 DGAB CC(C)c1noc([C@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1 48707948 OSKUYHUAXVODDO-RSPDNQDQSA-N 320.414 3.382 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(F)cc2F)c1C 13137699 QMQFVRQHTRSDEX-UHFFFAOYSA-N 322.311 3.339 0 40 DGAB Cc1cnc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)s1 63243389 QLIJZYUDYPMZBR-UHFFFAOYSA-N 315.398 3.077 0 40 DGAB COc1ccc2c(COC(=O)[C@@H]3CC=CCC3)cc(=O)oc2c1 6291201 UEWODSSRHIVMOO-GFCCVEGCSA-N 314.337 3.201 0 40 DGAB O=C(Cc1cc(Cl)ccc1Cl)NCc1nccs1 65564954 YZZUGFRNKNJSSK-UHFFFAOYSA-N 301.198 3.309 0 40 DGAB COc1ccccc1CC(=O)Nc1nnc(C(C)(C)C)s1 4599346 VSIWJFDWOSLRPP-UHFFFAOYSA-N 305.403 3.025 0 40 DGAB CC[n+]1c(-c2c(C)oc3cc(O)ccc3c2=O)csc1C 5686636 HXPRZEYIQSOQCV-UHFFFAOYSA-O 302.375 3.151 0 40 DGAB biogenic C[C@H]1CCCC[C@@H]1NC(=O)CSCc1ccc2c(c1)OCO2 7149644 VIXCORGCIXLJID-JSGCOSHPSA-N 321.442 3.343 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cc(Br)c[nH]2)c1 15518962 NBANHKIQEWZFHR-UHFFFAOYSA-N 307.147 3.232 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 7406729 FCFQQIXULJZJBA-SWLSCSKDSA-N 324.833 3.041 0 40 DGAB Cc1nnc(SCc2cc(-c3ccco3)on2)n1C1CC1 7533763 BLEJRQIBECXYQQ-UHFFFAOYSA-N 302.359 3.462 0 40 DGAB C[C@H]1CCc2ccccc2N1Cc1cc(=O)n2ccccc2n1 9322808 DKWVBAKOPWPAIO-AWEZNQCLSA-N 305.381 3.036 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1cncn1-c1ccccc1 9319467 UIESPGMHCIVQSL-INIZCTEOSA-N 319.364 3.126 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2nc(C)n3c2CCCC3)C1 81721239 PEPVFWNGFUEMAQ-CQSZACIVSA-N 321.490 3.276 0 40 DGAB C[C@@H]1CC=CC[C@H]1COC(=O)CCn1c(=O)oc2ccccc21 70039315 BRAWSDVIAHMFOE-KGLIPLIRSA-N 315.369 3.130 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc2cccnc12 69583086 AKTFQKDEELBRMH-MSOLQXFVSA-N 323.440 3.324 0 40 DGAB COCCN(Cc1ccco1)c1cc(C)nc(-c2ccccn2)n1 84114705 SDFNYEBFQGNGKP-UHFFFAOYSA-N 324.384 3.093 0 40 DGAB CCN(Cc1ccccn1)C(=O)Cc1c(Cl)cccc1OC 97142306 MJNKRBFYYBVYKA-UHFFFAOYSA-N 318.804 3.335 0 40 DGAB C[C@@H]1CCN(C(=O)COCC(F)(F)F)[C@H]1c1cccc(F)c1 78972299 MAHFDIBRXKYZKK-QMTHXVAHSA-N 319.298 3.314 0 40 DGAB C[C@@H]1CN(CCCNCc2ccc3ccccc3c2)C[C@@H](C)O1 84706306 YIJIIFAXJSPIFU-IAGOWNOFSA-N 312.457 3.429 0 40 DGAB CC[C@H](NC(=O)Nc1cc(C2CCC2)nn1C)c1ccncc1 95418857 WTISZIYOJVMSOW-AWEZNQCLSA-N 313.405 3.355 0 40 DGAB O=C([C@@H]1CCCO1)N1CCCCC[C@@H]1C[C@H](O)c1cccs1 79066513 GYCFFTUWMQIGQZ-ILXRZTDVSA-N 323.458 3.122 0 40 DGAB COc1ccccc1[C@H]1CCCN1C(=O)CC1(O)CCCC1 73334720 ZUKABWIKWTXIDK-OAHLLOKOSA-N 303.402 3.054 0 40 DGAB Cc1cnc(C[S@@](=O)Cc2cc(-c3cccs3)on2)o1 85225428 DWTMSDAWFHCAEO-HXUWFJFHSA-N 308.384 3.148 0 40 DGAB COc1cc(C)cc2c1OCC[C@@H]2NC(=O)CCC(F)(F)F 79900913 NOGBZCYXHGKSFC-NSHDSACASA-N 317.307 3.286 0 40 DGAB C[C@H](C(=O)N1CCCN1C(=O)OC(C)(C)C)c1ccsc1 95977903 ZYHVPDANJHREAQ-NSHDSACASA-N 310.419 3.236 0 40 DGAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)c1sccc1C1CC1 89275019 HQZJOFUPDIMWEY-IUODEOHRSA-N 311.472 3.002 0 40 DGAB CCn1c(C)nnc1S[C@H](C)c1cn(-c2ccccc2)nn1 89300577 RBEZPIKPHCWPFM-LLVKDONJSA-N 314.418 3.040 0 40 DGAB Cn1c(C2CC2)nc2cc(NCc3cccc(C(N)=O)c3)ccc21 89806585 PXXOHKDNRFGAFM-UHFFFAOYSA-N 320.396 3.162 0 40 DGAB CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC(C)C 89950232 SCWIJEOUMOIISQ-ZDUSSCGKSA-N 300.443 3.232 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1F 25062707 RUMDZVLQFOYQDF-UHFFFAOYSA-N 311.360 3.349 0 40 DGAB CN(C(=O)c1cccc(F)c1)c1nnc(-c2cccnc2)s1 35312733 IXGLNRGBYVSRLV-UHFFFAOYSA-N 314.345 3.016 0 40 DGAB CS[C@H]1c2c(cc(=O)[nH]c2-c2ccccc2Cl)C(=O)N1C 62716514 GVOMTCWDFFAZKG-HNNXBMFYSA-N 320.801 3.143 0 40 DGAB O=C(Nc1nc2c(s1)CCCC2)c1cc(-c2ccco2)[nH]n1 30653940 JGXWOOXAQDIRTQ-UHFFFAOYSA-N 314.370 3.257 0 40 DGAB N[C@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1OCc1ccccc1 218868140 RRNLSOSWIHMGHJ-OKYOBFRVSA-N 302.462 3.374 0 40 DGAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1snnc1-c1ccccc1 36366674 HTNFDZYPJCNEPI-KWCYVHTRSA-N 311.410 3.147 0 40 DGAB COc1cccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)c1 72384989 UYMANVCUGFSKPD-CYBMUJFWSA-N 316.426 3.247 0 40 DGAB O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 78878052 MRVRPVNKYOXPFE-MGPQQGTHSA-N 313.319 3.104 0 40 DGAB C[C@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc(-n2cccn2)c1 74037452 AFOFZXUSXWWXPL-GXFFZTMASA-N 324.211 3.243 0 40 DGAB C[C@H](NC(=O)COC1CCCC1)c1cccc(-n2cccn2)c1 73205051 HQONAMWSYRCDEM-AWEZNQCLSA-N 313.401 3.009 0 40 DGAB C[C@H](O)c1ccc(CCNC(=O)c2c(F)cccc2F)s1 225686986 SGZOSWIZAIEQPS-VIFPVBQESA-N 311.353 3.052 0 40 DGAB CCCc1nnc([C@H]2CCN(Cc3c[nH]c4ccccc34)C2)o1 49170306 RJHCCASVDDSQSR-ZDUSSCGKSA-N 310.401 3.493 0 40 DGAB biogenic,in-vitro Cc1ccc2c(c1)c(=O)ccn2CC(=O)N[C@@H](C)c1ccccc1 225743486 KAIZDWMQVGMNDA-HNNXBMFYSA-N 320.392 3.187 0 40 DGAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCOC)cc1 225731315 CTCPGBZOKKNGID-QGZVFWFLSA-N 309.406 3.246 0 40 DGAB O=C(COc1ccc(Cl)cc1)NC[C@@H]1COc2ccccc21 74913566 UUTXUVILWCGXAK-GFCCVEGCSA-N 317.772 3.011 0 40 DGAB O=C(O)C[C@H](C(=O)O)c1csc(-c2ccc(Cl)cc2)n1 40165625 IFIWZBXMIAIKSU-VIFPVBQESA-N 311.746 3.106 0 40 DGAB Cc1cc(C)c([C@@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C 223499857 OPZMXAAXJOUUDC-GFCCVEGCSA-N 322.430 3.256 0 40 DGAB O=C(NCc1ccc2ccccc2n1)c1ccc2n[nH]cc2c1 531069628 BVTZZVCAOKNAEA-UHFFFAOYSA-N 302.337 3.041 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)[C@@H]2CSc3ccccc32)cc1 80522301 GBEALOAOGXUJRJ-SZNDQCEHSA-N 317.435 3.252 0 40 DGAB O=C(O)C1CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 225466178 KZQDNSJPXONJQF-ZWKOTPCHSA-N 323.392 3.267 0 40 DGAB CCCCc1noc([C@@H]2CCCN(C(=O)c3ccoc3C)C2)n1 41122487 CHADTERHMQZWKK-CYBMUJFWSA-N 317.389 3.333 0 40 DGAB Cc1cc(C)c(C(=O)N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)o1 191120797 MGLNCZVYIWPWNL-CYBMUJFWSA-N 322.405 3.026 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)NCCOc1ccccc1 224417740 GPFLUFXHCBUWCD-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB CCCCc1csc(C(=O)Nc2cccc([S@@](C)=O)c2)n1 95401656 WUSJYRAEZVMKPP-NRFANRHFSA-N 322.455 3.475 0 40 DGAB CC(C)c1nnc2n1C[C@@H](NCc1ccc(Cl)s1)CC2 97199489 NGPUWDTXOVMPLM-JTQLQIEISA-N 310.854 3.221 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 96451503 FVQHKMAGGRNKDS-CABCVRRESA-N 323.506 3.150 0 40 DGAB O=C(O)CCCc1nc2cccc(Cl)c2n1C[C@H]1CCCO1 95095666 IZDLTFDNTGYORA-LLVKDONJSA-N 322.792 3.276 0 40 DGAB CC1(C)[C@H](NCc2nc(-c3ccsc3)no2)[C@H]2CCCO[C@H]21 578485203 AWQOOLHMCAIBRK-MRVWCRGKSA-N 319.430 3.091 0 40 DGAB Cc1cc([C@@H](C)NCC(=O)Nc2c(C)nn(C)c2C)c(C)s1 97373651 CPHYAFPVKHNKIM-SNVBAGLBSA-N 320.462 3.005 0 40 DGAB O=C(Nc1cccnc1)N1CCC(Oc2ccc(F)cc2)CC1 96406788 UGKJJRKJGUEUAF-UHFFFAOYSA-N 315.348 3.296 0 40 DGAB C[C@H]1CN(CCC2CCN(CCC(F)(F)F)CC2)C[C@H](C)O1 96455934 WLRKIMFQKLSMGH-KBPBESRZSA-N 322.415 3.150 0 40 DGAB Cc1cc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)on1 96468610 CEOWBGUVUFOUGF-HOCLYGCPSA-N 304.390 3.444 0 40 DGAB C[C@@H](CN1CCC(C(=O)N(C)C)CC1)c1cccc(Cl)c1 97103868 XLOAUFWTEJAVBU-ZDUSSCGKSA-N 308.853 3.244 0 40 DGAB Clc1cc(Cl)c2[nH]nc(I)c2c1 95635201 PANBUJPQIXLTTG-UHFFFAOYSA-N 312.925 3.474 0 40 DGAB Cc1ccc(CCN(C[C@H]2CCCO2)C(=O)c2ccncc2)cc1 96431931 AHJRMVOAHKDGCT-LJQANCHMSA-N 324.424 3.254 0 40 DGAB O=C(Cc1cccnc1Cl)NCC1(c2ccccc2)CC1 585132226 QVLSQCVTNHDSOW-UHFFFAOYSA-N 300.789 3.126 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(C(=O)Cc3cccs3)C2)c1 257283350 OXXIUYOYOCBRGR-ZDUSSCGKSA-N 315.442 3.052 0 40 DGAB CN(CCc1ccccc1)Cc1ccnc([C@@]2(C)CCCO2)n1 257258807 KVPPFZXIEQIPTK-LJQANCHMSA-N 311.429 3.177 0 40 DGAB c1ccc(C[C@H]2CC3(CCN(Cc4ccccn4)CC3)CO2)nc1 257243196 IFVZOZJAWOAYQP-IBGZPJMESA-N 323.440 3.090 0 40 DGAB CCn1nccc1-c1cc(C)nc([C@H]2CCCN(C(C)C)C2)n1 257278501 OCMNUCYQEIVRFK-HNNXBMFYSA-N 313.449 3.256 0 40 DGAB COc1cccc(NC(=S)NCCCN2CCC[C@H](C)C2)c1 260732880 CHZIOKDGTTXSCT-AWEZNQCLSA-N 321.490 3.104 0 40 DGAB Cc1cc(NC(=O)N2CCO[C@@H](c3ccccc3Cl)C2)no1 69559971 JOORUSZBDLFKDX-CYBMUJFWSA-N 321.764 3.242 0 40 DGAB c1csc([C@H](NCc2nnc3n2CCC3)C2CCCC2)c1 93372320 OPVNOPOIUDMABX-MRXNPFEDSA-N 302.447 3.307 0 40 DGAB Cc1sc2nc(SCC(=O)C(C)(C)C)n(C)c(=O)c2c1C 530773 CNHRXPDWEAHWGS-UHFFFAOYSA-N 324.471 3.319 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1ccccc1Br 96433609 DIIFDPKDPUJNLJ-SNVBAGLBSA-N 313.195 3.092 0 40 DGAB O=C(c1ccc(I)c(F)c1)C(F)(F)F 604221488 AGSHYDMJXQLWBV-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cnccn1 12146481 SOSBNAJYIZZKPL-HNNXBMFYSA-N 323.396 3.433 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)c(C)c2)cc1 14292016 JHCHEYYXXCFTKX-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB Cc1ccc([C@]2(O)CC[C@H]3CN(CC4CCCCC4)C[C@H]32)nc1 19215967 MPXJSXWLSZMOCY-NSHGMRRFSA-N 314.473 3.500 0 40 DGAB O=C(C1CCC1)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19406782 ILVGFBKBYLSXNF-UHFFFAOYSA-N 317.414 3.304 0 40 DGAB Cc1ccc(-c2nnc(CNC(=O)CC3CCCCC3)o2)cn1 19215282 MPSFDDWWJWTDLB-UHFFFAOYSA-N 314.389 3.027 0 40 DGAB CC(C)n1cnnc1S[C@@H](C)C(=O)Nc1ccc(F)cc1 5417292 FPHXRPXHEKUQJB-JTQLQIEISA-N 308.382 3.117 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 29659344 WKLGGUZHODEYKK-IUODEOHRSA-N 319.380 3.467 0 40 DGAB CSc1ccc(C(=O)N2CCN(c3ccccc3)CC2)cc1 4303517 AAHPLHIADLWLFY-UHFFFAOYSA-N 312.438 3.371 0 40 DGAB CCC(=O)Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2 9038606 KLVGAVUQZHEYID-UHFFFAOYSA-N 308.381 3.234 0 40 DGAB COc1cccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)c1 11853000 CDAYXIMPGUSYQZ-FBMGVBCBSA-N 316.357 3.129 0 40 DGAB COc1ccccc1NC(=O)NC[C@@H](c1ccsc1)N(C)C 22766900 UGFKVCWMVSSEPP-AWEZNQCLSA-N 319.430 3.181 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1cccs1 225590684 HPDLYBYHHZIZAE-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB Cc1csc(NC(=O)NCc2cncc(-c3ccoc3)c2)n1 575620086 KEUJAKNGGZROTP-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB O=C(NC1CCN(c2ccc3ccccc3n2)CC1)C1CCC1 377508833 CRORZONREIKXPJ-UHFFFAOYSA-N 309.413 3.120 0 40 DGAB CC(=O)Nc1cc(N[C@H](C)C(=O)NC2CCCCC2)ccc1F 30006382 IKFJBZUTBXYCAK-LLVKDONJSA-N 321.396 3.033 0 40 DGAB Cc1nc(-c2ccc3c(c2)CCN3C(=O)[C@@H]2CCCO2)cs1 40475566 XAKFVTZOYVGSFJ-INIZCTEOSA-N 314.410 3.187 0 40 DGAB C[C@H](Nc1ncnc2[nH]cnc12)c1ccc(OC(F)F)cc1 40512418 BYHKTNMESGCBCF-QMMMGPOBSA-N 305.288 3.127 0 40 DGAB O=S(=O)(NCc1ccccc1)c1cc(Cl)ccc1Cl 360265 RYROHXPWUSBCHL-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Oc1ccc(Cl)cc1 32602188 GQWUTXMULVDRMI-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB C[C@@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)o2)C1 417803 ZDRHDSIRHFZQNW-GFCCVEGCSA-N 317.414 3.087 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2cc(C)ccc2O)c(C)c1 557998 FGQIPOONZGRNTB-UHFFFAOYSA-N 314.410 3.444 0 40 DGAB CCc1cccc(NC(=O)CSc2nnc(C)n2C2CC2)c1 32741780 WWIWYTOAGFSFQZ-UHFFFAOYSA-N 316.430 3.215 0 40 DGAB O=S(=O)(NC1CCCCC1)c1ccccc1OC(F)(F)F 32895317 FCZXTQSQTMHEKG-UHFFFAOYSA-N 323.336 3.196 0 40 DGAB C[C@H]1CCCCN1C(=O)c1nn(-c2ccccc2)c2c1CCC2 32869094 QWSTVKJTLKIAAV-AWEZNQCLSA-N 309.413 3.376 0 40 DGAB COc1ccc(Br)cc1CNCc1ccncc1 7275952 ABOJUMOHOUTFOR-UHFFFAOYSA-N 307.191 3.143 0 40 DGAB Clc1ccc(OCc2ccccc2)c(CNn2cnnc2)c1 7602610 UKIGNIVVLKZMLT-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB COC(=O)c1cc(Cc2ccccc2)sc1NC(=O)C1CC1 2760999 UTADDCMJOVUPJP-UHFFFAOYSA-N 315.394 3.474 0 40 DGAB CCc1ccc(CN(C)Cn2nc(C)c3ccccc3c2=O)cc1 21963763 XOJCEHGBJORMHT-UHFFFAOYSA-N 321.424 3.357 0 40 DGAB C[C@]1(C(=O)Nc2ccccc2Cl)Cc2ccccc2C(=O)O1 547072 QXBPDGOMYFIEJX-QGZVFWFLSA-N 315.756 3.450 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1N(C)C)N1CCc2ccccc21 97000108 SBDDGVLKLUIHCM-AWEZNQCLSA-N 309.413 3.142 0 40 DGAB Cc1c(C(=O)OC[C@@H]2CC=CC[C@@H]2C)cnn1C1CCOCC1 97032287 JSTYXCZQXMJZAS-ZFWWWQNUSA-N 318.417 3.302 0 40 DGAB C[C@@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)O 97039221 TWNMYRRANWLSIO-VIFPVBQESA-N 315.291 3.031 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1C 101275237 YQTOHVNGIQWSER-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB C[C@H](C(=O)NCc1ccc(C(=O)O)o1)c1cc2ccccc2o1 97036059 CZSNDRHADIPNGR-JTQLQIEISA-N 313.309 3.144 0 40 DGAB Cc1cccnc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 24364576 PHDIRNOXXSJTMG-UHFFFAOYSA-N 321.384 3.110 0 40 DGAB Cc1ccc(C(=O)NCCOc2cccc3c2OC(C)(C)C3)o1 24449302 YBCUQYDQUODLSF-UHFFFAOYSA-N 315.369 3.110 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N3CCCCCCC3)ccc21 53272735 DZKYDTCGOLVSBX-UHFFFAOYSA-N 300.402 3.002 0 40 DGAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c1 12554504 LYAVEMLVGXGBHN-CYBMUJFWSA-N 311.385 3.393 0 40 DGAB CN(Cc1ccc(Cl)s1)Cn1c(=O)oc2ccccc21 25685608 XROGJCMCWWRDGH-UHFFFAOYSA-N 308.790 3.399 0 40 DGAB Cc1cccc(CNC(=O)NC2CC(C)(C)NC(C)(C)C2)c1 26179216 DRAHSZFPLCTUOF-UHFFFAOYSA-N 303.450 3.103 0 40 DGAB CC1=CC[C@H](C(=O)O)[C@@H](C(=O)Nc2nc3ccccc3s2)C1 26444501 GUJPAOIGOPJEBR-QWRGUYRKSA-N 316.382 3.292 0 40 DGAB Cc1cc(OCCCC(=O)Nc2nncs2)ccc1Cl 1787193 CDQBKSFMICYAAP-UHFFFAOYSA-N 311.794 3.298 0 40 DGAB Cc1cnc(CN[C@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 97110939 MTBBSZUBPBWQLL-SECBINFHSA-N 316.327 3.209 0 40 DGAB Cc1ccc(C(=O)CCC(=O)n2nc(N)c3ccccc32)cc1 57963986 GAODLIATWJVSEH-UHFFFAOYSA-N 307.353 3.230 0 40 DGAB C[C@H](NCc1nc(C2CC2)no1)c1ncc(-c2ccccc2)o1 97112301 JAXZLDQVBXUFKK-NSHDSACASA-N 310.357 3.453 0 40 DGAB O=C(NCc1ccc(CN2CCCCCC2)cc1)c1ccccn1 58050785 IZLVTBJBCMGHDV-UHFFFAOYSA-N 323.440 3.388 0 40 DGAB O=C(CCOc1ccccc1)NCc1ccccc1OC(F)F 10114121 VARXCCTXFNQWPX-UHFFFAOYSA-N 321.323 3.373 0 40 DGAB Cc1cccc(C(=O)c2ccc(I)cc2)n1 45028480 KJJGRDNWSHGCEW-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB O=C(C1CCCC1)N1CCCN(Cc2ccccc2F)CC1 58578582 IFFQZAFZZXSEIZ-UHFFFAOYSA-N 304.409 3.050 0 40 DGAB CCCC(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 18087534 BCAWMIGIEUDMPN-UHFFFAOYSA-N 300.387 3.349 0 40 DGAB O=C(CCc1ccco1)N1CCC[C@H]1c1ccc2c(c1)OCO2 69818962 GFQQKQAYIKCBNC-HNNXBMFYSA-N 313.353 3.305 0 40 DGAB O=C(CCc1ccccc1)N1CCC(c2n[nH]c(C3CC3)n2)CC1 65287474 ZLOSNAOMDDVWER-UHFFFAOYSA-N 324.428 3.021 0 40 DGAB Cc1sc2nc(-c3cccs3)nc(N3CC(O)C3)c2c1C 65586284 MJFJOQCXCWXIGD-UHFFFAOYSA-N 317.439 3.218 0 40 DGAB NC(=O)c1ccc(CNC2(c3ccc(F)cc3)CCCC2)cc1 65522277 IAAACPXHSHKFFI-UHFFFAOYSA-N 312.388 3.484 0 40 DGAB CC(=O)Nc1c(-c2ccc(C)cc2)c(=O)c2ccccc2n1C 5323436 JNQFTIPKMJWERI-UHFFFAOYSA-N 306.365 3.472 0 40 DGAB CCc1ccc(OC[C@@H](O)COc2ccc(OC)cc2)cc1 28580667 WOQAGWZSCPSWCD-OAHLLOKOSA-N 302.370 3.076 0 40 DGAB O=C(Nn1cccc1)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F 83023906 FQPVCAIHZPZNFG-RYUDHWBXSA-N 310.275 3.261 0 40 DGAB O=C(CCCOc1ccc(Cl)cc1)NCc1cccnc1 7505008 FKLOECFQIOOFJJ-UHFFFAOYSA-N 304.777 3.210 0 40 DGAB CNc1ccc(Nc2nn3cc(-c4cccnc4)nc3s2)cn1 96007315 WVEPFVUYXPLLRR-UHFFFAOYSA-N 323.385 3.033 0 40 DGAB CCc1ccc2c(CC(=O)Nc3ccc(C(N)=O)cc3)coc2c1 7769934 MNHXSWZBKQPHHI-UHFFFAOYSA-N 322.364 3.275 0 40 DGAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1cccs1 7846893 RDXWCFDMJPDBKG-KRWDZBQOSA-N 314.454 3.374 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 16431302 MJHGADIOBCCVDB-UHFFFAOYSA-N 306.268 3.380 0 40 DGAB CN(Cc1ccccc1)Cn1c(=O)oc2cc(Cl)ccc21 8061724 MNGHSSNPAAHXIT-UHFFFAOYSA-N 302.761 3.337 0 40 DGAB Cc1cc(C)n2cc(CSC[C@H](O)c3ccccc3)nc2n1 69290677 HJSPLNSOADWGDZ-INIZCTEOSA-N 313.426 3.313 0 40 DGAB Cc1cc(C)n(C[C@H](C)NC(=O)C(C)(C)c2ccccc2F)n1 69486655 BRGQQQNSVHMDND-ZDUSSCGKSA-N 317.408 3.122 0 40 DGAB c1csc(CCN2CCC[C@@H](c3nncn3C3CC3)C2)c1 91631262 KNIHWXYNFNAKDD-CYBMUJFWSA-N 302.447 3.097 0 40 DGAB Cn1c(COc2ccc(-c3ccccc3)nc2)nnc1C1CC1 97114997 WPVMLKDGCRCMET-UHFFFAOYSA-N 306.369 3.334 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2ccc3c(c2)nc(C)n3C)cc1 72303665 NCYGJXDIKGOENR-UHFFFAOYSA-N 307.353 3.337 0 40 DGAB O=C1N[C@@H](c2cnc(-c3ccsc3)s2)Nc2cnccc21 84502283 HZRRMTZHKVMJQG-LBPRGKRZSA-N 314.395 3.121 0 40 DGAB C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 95434463 YDCJZDFZTBLDAX-ABAIWWIYSA-N 314.410 3.471 0 40 DGAB Cc1cc(C)n(-c2ccc(NCc3ccc(CO)o3)cc2F)n1 95428725 QJLFHBCFIYTPQR-UHFFFAOYSA-N 315.348 3.326 0 40 DGAB Cc1ccccc1C(=O)OCC(C)(C)NC(=O)OC(C)(C)C 95444242 SGESMVWTJZIBKE-UHFFFAOYSA-N 307.390 3.455 0 40 DGAB Cc1nnc(CSCc2noc(-c3ccc(F)cc3)n2)o1 95412883 CHICFWXXQGBOCZ-UHFFFAOYSA-N 306.322 3.001 0 40 DGAB COC(=O)c1ccoc1CN1CCCCc2ccc(OC)cc21 79093087 LLXSJGCKEASGSW-UHFFFAOYSA-N 315.369 3.418 0 40 DGAB CCN(C)c1ccccc1NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12 98020357 MFIFHGUEQQXVDR-CKEIUWERSA-N 317.433 3.222 0 40 DGAB O=C(c1cccc(NCc2nnsc2Cl)c1)N1CCCC1 89103941 RPDIGILDBWYNBV-UHFFFAOYSA-N 322.821 3.040 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@H]1NCC1=CCCOC1 89662594 MBCLZKVYUYOARF-HZPDHXFCSA-N 324.465 3.006 0 40 DGAB Cc1nc(CNc2cncc(SCc3ccccc3)n2)no1 89718406 JUHQWQFAHPRMCN-UHFFFAOYSA-N 313.386 3.072 0 40 DGAB Cc1nc(C)c(C(=O)N2CC[C@H](Oc3cccc(Cl)c3)C2)o1 89763820 SGKCMJJCSMUYST-AWEZNQCLSA-N 320.776 3.238 0 40 DGAB CC(C)c1nc([C@H]2CCCN2Cc2nnsc2Cl)no1 75581724 JFAVWXPDAMOAMH-SECBINFHSA-N 313.814 3.035 0 40 DGAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccccn1 21964706 LSQMQSXEZAFUTQ-UHFFFAOYSA-N 304.777 3.324 0 40 DGAB Cn1c(SCCC(F)(F)Cl)nc2ccsc2c1=O 521395085 GRFQYUZJUZMDEI-UHFFFAOYSA-N 310.778 3.309 0 40 DGAB Cc1nc(C)c(CC(=O)Nc2nc3c(s2)CCCC3)s1 38679902 DJPSOYPBXRWKGY-UHFFFAOYSA-N 307.444 3.276 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)NCc1cccnc1C 527778751 FBBDCOUNSPZNIV-LBPRGKRZSA-N 317.364 3.098 0 40 DGAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)cnn12 36615744 ZLTONPYWHQQAMY-UHFFFAOYSA-N 301.733 3.145 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 30755023 WVSBJCIGRDUZQB-INIZCTEOSA-N 305.324 3.439 0 40 DGAB CCCCNC(=O)NCCCn1ncc2c(Cl)cccc21 71196086 VVGXFTSBHXDSEG-UHFFFAOYSA-N 308.813 3.179 0 40 DGAB COc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)c(C)c1 77699462 STDFIMROHGJNEY-QGZVFWFLSA-N 314.385 3.249 0 40 DGAB COc1cccc(-c2cc(-c3ccccc3)nc(N)n2)c1OC 71978207 HGNXZSPEVQMLBO-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB COC(=O)c1cc(Br)c(Br)cc1F 47202607 GXQSHUARBHYOST-UHFFFAOYSA-N 311.932 3.137 0 40 DGAB CCOc1cc(-c2nc(-c3ccccc3O)n[nH]2)ccc1OC 85385041 YTSAGMLLKCEDCT-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB CC(C)c1noc(CCCNC(=O)c2cc3c(s2)CCC3)n1 61457931 RDFMOTJRXSVWMJ-UHFFFAOYSA-N 319.430 3.106 0 40 DGAB CC(C)(C)OC(=O)NCc1nnc(-c2ccc(Cl)cc2)o1 43179035 GUQKZVADDBWQNI-UHFFFAOYSA-N 309.753 3.415 0 40 DGAB CC(=O)c1ccc(N2C=CN(C(=O)OC(C)(C)C)C=C2)c(N)c1 89224419 XHFHKCOWNUVMJB-UHFFFAOYSA-N 315.373 3.471 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225604889 QDQVWUIALFXZMG-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc(C)cc1 224685206 HKBXJODELHITQB-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB C[C@@H](c1ccncc1)N(C)CC(=O)N[C@H](C)c1cccs1 195546888 YCULEZYIIXCERM-OLZOCXBDSA-N 303.431 3.013 0 40 DGAB O=C([C@@H]1CCC[C@@H](C(F)(F)F)C1)N1CCOc2ncccc21 96451734 ILWZCVDJEVDYFU-GHMZBOCLSA-N 314.307 3.176 0 40 DGAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)n1 96414299 ULIWCDXARKLOOA-GXTWGEPZSA-N 317.408 3.023 0 40 DGAB O=C(Nc1cccnc1-c1ccccc1)N1CC2(CCOCC2)C1 333478750 GXZKOWDOZLHHJB-UHFFFAOYSA-N 323.396 3.393 0 40 DGAB CCSCc1ccc(C(=O)N2Cc3c[nH]nc3[C@@H](C)C2)cc1 585134204 HWBZGFTZKPOSNV-LBPRGKRZSA-N 315.442 3.422 0 40 DGAB CNc1nccc([C@H]2CCCCN2Cc2cccc(OC)c2)n1 257341086 ZIUJHZZJDALZEH-QGZVFWFLSA-N 312.417 3.254 0 40 DGAB O=C(Oc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 253616507 KUOVVECCDSNRPZ-LBPRGKRZSA-N 315.756 3.299 0 40 DGAB CNc1cc([C@@H]2CCCN(Cc3scnc3C)C2)ccn1 257335037 YIKYHRCMSUDHNF-CQSZACIVSA-N 302.447 3.268 0 40 DGAB Cc1cnc2cc(C(=O)N3CCC[C@H]3c3ccccc3)nn2c1 257294889 QWDWQCVSMJLZFW-INIZCTEOSA-N 306.369 3.015 0 40 DGAB Cc1c[nH]c([C@@H]2CN(Cc3ccc4ccccc4c3)CCO2)n1 257295427 QYGDQTOUPFGQKV-SFHVURJKSA-N 307.397 3.445 0 40 DGAB CN(Cc1nc2ccccc2s1)c1ccnc2c1cnn2C 390835298 JRFDJTROUSOSKE-UHFFFAOYSA-N 309.398 3.214 0 40 DGAB COc1ccccc1C1(C(=O)NCc2cncc(C3CC3)c2)CC1 575607168 ZOQLRMWFAKXSKC-UHFFFAOYSA-N 322.408 3.316 0 40 DGAB O=C1CC[C@]2(CCCN(CC3CC3)CC2)N1Cc1ccccc1 585100454 KXCMZPSPKWEYHU-FQEVSTJZSA-N 312.457 3.444 0 40 DGAB O=C(c1cnc2ccccc2c1N1CCCC1)N1CCCCC1 56379827 VRMRKMFRFCJCLT-UHFFFAOYSA-N 309.413 3.461 0 40 DGAB CCOc1ccc(CNc2cccc(C(=O)O)c2)cc1OC 76273463 YATWGZIKWAVGLJ-UHFFFAOYSA-N 301.342 3.404 0 40 DGAB CC[C@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 97011763 NGILWOVYYNCGQK-NSHDSACASA-N 319.298 3.178 0 40 DGAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1 5018221 GOVPZEAQRYNQLF-UHFFFAOYSA-N 309.406 3.073 0 40 DGAB NCCc1nnc(SCc2c(Cl)cccc2Cl)o1 5047371 SPODPNZAZHMMOP-UHFFFAOYSA-N 304.202 3.170 0 40 DGAB CCn1ncc(CN2CCC(O)(c3ccc(C)cc3)CC2)c1C 12344255 FEOAIFCXDWAOEE-UHFFFAOYSA-N 313.445 3.003 0 40 DGAB COC(=O)N1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 15953795 JXLWJCVCHNLVIM-XYJFISCASA-N 319.401 3.130 0 40 DGAB biogenic Fc1ccc2[nH]cc(CCNC(=S)NC3CCCC3)c2c1 17031223 OOJHMWXDDJOGGG-UHFFFAOYSA-N 305.422 3.256 0 40 DGAB c1cncc(-c2nccc(CN(Cc3ccncc3)C3CC3)n2)c1 19341299 KFSAKDMDPBXYPA-UHFFFAOYSA-N 317.396 3.098 0 40 DGAB C[C@H]1C=C(OC(=O)c2cccnc2Cl)N(c2ccccc2)N1 153115 UMVLRAYTBTZXLN-NSHDSACASA-N 315.760 3.147 0 40 DGAB Cc1csc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)n1 26360313 CDPSZYOXVLJBNJ-AWEZNQCLSA-N 318.398 3.262 0 40 DGAB CC(C)(C)n1cc(C(=O)NC2CCC(C(F)(F)F)CC2)cn1 51373151 ZXYMYPYPUPGPOD-UHFFFAOYSA-N 317.355 3.489 0 40 DGAB CSc1nc2c(c(=O)n1-c1cc(C)cc(C)c1)SCC2 4358821 PNYWYFBSDZSCIF-UHFFFAOYSA-N 304.440 3.219 0 40 DGAB Cc1cccc(OCC(=O)NCc2ccc(-n3cccc3)cc2)c1 4628875 BDPXLLLPRZNZDT-UHFFFAOYSA-N 320.392 3.481 0 40 DGAB O=C(c1ccsc1)c1ccc(CNC(=O)C2CCC2)s1 211083354 UJCVCZDTGKPYPE-UHFFFAOYSA-N 305.424 3.457 0 40 DGAB Cc1cc(C(=O)NCC[C@@H](CCO)c2cccs2)c(C)o1 575603972 NANZGFLWRVELQP-ZDUSSCGKSA-N 307.415 3.244 0 40 DGAB COc1ccccc1CCNC(=O)Nc1ccc(F)c(F)c1F 40097372 UNQQCWQEUNTTCE-UHFFFAOYSA-N 324.302 3.477 0 40 DGAB COc1cc([C@H]2SCC(=O)N2Cc2ccccc2)ccc1O 45572 WMWJJQSFWBSKPI-QGZVFWFLSA-N 315.394 3.175 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)n1 40496482 VEDTWXCKRWQEHW-GFCCVEGCSA-N 314.389 3.493 0 40 DGAB CSCCOC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 20375223 SEUGCOBEYIIFCJ-GUYCJALGSA-N 319.426 3.052 0 40 DGAB Cc1ccccc1-c1oncc1-c1nnnn1-c1ccccc1 152022 XHZGVYVRUKEMJC-UHFFFAOYSA-N 303.325 3.293 0 40 DGAB O=C(Nc1nnc(Cc2ccc(F)cc2)s1)c1ccco1 278911 LOKUZMRXRHFABR-UHFFFAOYSA-N 303.318 3.113 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccccc2Cl)Cc2ccccc21 205511 ONRVDQJNNBPJLU-CQSZACIVSA-N 301.729 3.060 0 40 DGAB O=C(O)CSCC(=O)N(c1ccccc1)c1ccccc1 286054 XJDIWIPXTAULSO-UHFFFAOYSA-N 301.367 3.169 0 40 DGAB CNC(=O)c1ccccc1NC(=O)CCCc1cccs1 32747625 LDMAGVZLXWGSQC-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB CC(=O)OCCN(CCc1ccccc1)CCc1ccccc1 1676422 GCKZCNWELASVAE-UHFFFAOYSA-N 311.425 3.337 0 40 DGAB CC(C)OC(=O)NCCOC(=O)Nc1cccc(Cl)c1 3156678 FHLOMVFBBXBFMS-UHFFFAOYSA-N 300.742 3.023 0 40 DGAB CC(C)C[C@H](CNC(=O)Nc1ccccc1F)N1CCCC1 32909535 YAHWIXMIBOAKGH-CQSZACIVSA-N 307.413 3.458 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(-c3nc(C)c(C)o3)cc2)cn1 6504952 UBMSDULOFVHZGH-UHFFFAOYSA-N 308.341 3.309 0 40 DGAB CCc1ccc2nc(NC(=O)c3ccc4[nH]nnc4c3)sc2c1 22024625 UMFKXBWLAWJQNN-UHFFFAOYSA-N 323.381 3.382 0 40 DGAB C[C@H]1C[C@H](C)CN(CC(=O)Nc2nc3ccccc3s2)C1 8570126 YTMAUIPJKCYPRM-RYUDHWBXSA-N 303.431 3.213 0 40 DGAB Cc1ccnc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1 920279 LIROKRGEZMRYQM-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1cc(C)c(C(=O)CCCC(=O)NC2=NCCS2)c(C)c1 47305098 JXOZLZPFESEPEN-UHFFFAOYSA-N 318.442 3.184 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104820968 NWEXDOSJXROGCP-RPZXMPESSA-N 314.429 3.128 0 40 DGAB O=C(Nc1nnc(COc2ccccc2)s1)c1ccccc1 1009567 BJAJWECJXMRTIS-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1c(F)cccc1F 100189349 JQPXURDGBSANFL-GTNSWQLSSA-N 301.340 3.325 0 40 DGAB CC1CCC(NC(=O)c2ccc(C(F)(F)F)nc2O)CC1 25007487 DKWLTDVZOLTDLZ-UHFFFAOYSA-N 302.296 3.115 0 40 DGAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@H]3C)cccc2c1 12526568 KFXWBAFJEKYRCO-CYBMUJFWSA-N 304.415 3.106 0 40 DGAB CC(C)COc1ccc(CNC(=O)NCc2cccnc2)cc1 56358970 BTADPZFVYIPNEY-UHFFFAOYSA-N 313.401 3.116 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)NCC[C@H]1C[C@H]2CC[C@H]1C2 107490844 JGQDHIGQRZWNOK-JYJNAYRXSA-N 324.424 3.056 0 40 DGAB CC(C)n1nccc1NC(=O)CN[C@H](C)c1ccc(Cl)cc1 25919868 ORNNRZMQYKEHOQ-GFCCVEGCSA-N 320.824 3.407 0 40 DGAB C[C@H]1CN(C(=O)CNc2ccc(Cl)cc2Cl)C[C@H](C)O1 57525217 NOINLDCDBZIFFW-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB CCC(O)(CC)CNC(=O)N[C@@H](C)Cc1cccc(Cl)c1 57615316 OWVZDMMPIZCRSJ-LBPRGKRZSA-N 312.841 3.121 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccncc1 12606982 XJLSYFFXTNINNM-GFCCVEGCSA-N 323.400 3.207 0 40 DGAB COc1ccc(CC2CCN(C(=O)c3ccccn3)CC2)cc1 58265676 QGVRMDOQKRFLEA-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@H]1CCNC1 62114786 YIEPBEJGEPRJJV-ZJUUUORDSA-N 301.217 3.122 0 40 DGAB O=C(Nc1ccc(F)cc1Cl)N[C@@H]1c2ccccc2C[C@@H]1O 58343548 ZCLJSQOEXMATCK-LSDHHAIUSA-N 320.751 3.259 0 40 DGAB CCc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)cc1 58327146 VFVORGHSWIRSHW-UHFFFAOYSA-N 306.369 3.141 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@@H]1CCCO1 27906607 KVYIECXCIUUILQ-BMIGLBTASA-N 319.792 3.027 0 40 DGAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(OC)c(F)c1 28027194 UKLHNPLZDJUTGJ-MRVPVSSYSA-N 323.393 3.132 0 40 DGAB COc1c(CNCc2ccc3[nH]c(C)c(C)c3c2)c(C)nn1C 58421757 QHQDZOUDMPANMY-UHFFFAOYSA-N 312.417 3.125 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1O)c1ccc(F)cc1 3326417 XWIANGZWCUOJEF-UHFFFAOYSA-N 308.692 3.224 0 40 DGAB CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@@H]1c1c[nH]c2ccccc12 60071065 NTPWBSOAOODTEW-SJKOYZFVSA-N 316.357 3.003 0 40 DGAB CC(C)c1noc([C@@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1 48707944 OSKUYHUAXVODDO-UTSBKAFOSA-N 320.414 3.382 0 40 DGAB COc1ccc(-c2cnc(CCC(=O)NCCC(C)C)o2)cc1 63888343 RUVGQTVALKMLGB-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB Cc1cc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c(C)o1 28225742 CHGPOOHAMGRYMT-UHFFFAOYSA-N 318.398 3.188 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 4350062 OGUXKHQVZGDSTM-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1noc(C2(NC(=O)c3cccc(F)c3)CCCCC2)n1 65257745 YSIKBWIQZHHFKG-UHFFFAOYSA-N 303.337 3.107 0 40 DGAB C[C@@H](OC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC2 14244819 SGUXRBCOQVIFQJ-GFCCVEGCSA-N 301.386 3.236 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cccc2nsnc12 19108603 YFBSIYRBMSQKJY-NSHDSACASA-N 324.409 3.081 0 40 DGAB Cc1nc(CC(=O)OCc2cc(-c3cccs3)on2)cs1 19357358 PVNDFSZWQVGHEV-UHFFFAOYSA-N 320.395 3.454 0 40 DGAB COCc1ccc(C(=O)NCCc2ccc(Cl)cc2)cc1 7525427 JSOAQQDNUVOSRN-UHFFFAOYSA-N 303.789 3.459 0 40 DGAB CCc1cnc(CN(C)C(=O)c2cc(C(C)(C)C)nn2C)s1 81082225 XCZKKCYWCTYRAN-UHFFFAOYSA-N 320.462 3.009 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1cc2ccccc2c(=O)[nH]1 7899919 UPVMWTILLQXOMS-UHFFFAOYSA-N 304.349 3.269 0 40 DGAB CCCCC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 7813918 QGXDLTLMVZLBSM-ZFWWWQNUSA-N 308.422 3.119 0 40 DGAB CCc1ccccc1NC(=O)CNc1ncnc2sccc12 8063836 HKYOSVQFNOROOK-UHFFFAOYSA-N 312.398 3.304 0 40 DGAB FC(F)(F)c1nnc2n1N=C(c1cccc(Cl)c1)CS2 8329206 YVSYNFRRWDHJPX-UHFFFAOYSA-N 318.711 3.308 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cn3ccccc3n2)s1 69488186 XQYZHBGNQYOAFQ-ZIAGYGMSSA-N 311.410 3.124 0 40 DGAB Cc1ccc([C@@H]2CCC[C@@H]2OC(=O)c2ccc(C)[nH]c2=O)cc1 97002027 CHLIORGRKPPKSU-RDJZCZTQSA-N 311.381 3.485 0 40 DGAB CC(C)[C@@H](NC(=O)c1cc[nH]c(=O)c1)c1ccc(Cl)cc1F 97081862 ZCPKOUJONXJYTM-OAHLLOKOSA-N 322.767 3.295 0 40 DGAB CCCCOCCCNC(=O)c1cc2cc(OC)ccc2[nH]1 9581799 YMXFTUSEOVGGPK-UHFFFAOYSA-N 304.390 3.113 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)n1 71870186 ABNORAQRDYGKON-QGZVFWFLSA-N 322.412 3.286 0 40 DGAB CC(C)(C)[S@@](=O)CCNCc1ccccc1Br 72286940 FPKQPYYTAJDYJY-QGZVFWFLSA-N 318.280 3.086 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]3c3ccco3)C2)n1 72235748 IGFJTVNZGGBTDD-OWCLPIDISA-N 313.401 3.060 0 40 DGAB COc1ccc(OC)c(NC(=O)CNc2cc(F)cc(F)c2)c1 9690446 FSHXQPBFFHUNIT-UHFFFAOYSA-N 322.311 3.033 0 40 DGAB CCOc1cc(NC(=O)N[C@H]2CCO[C@@H](C3CC3)C2)ccc1C 97142464 HYPZPAZLNYKXLY-DOTOQJQBSA-N 318.417 3.473 0 40 DGAB C[C@H](CNC(=O)c1ccccc1-n1cccn1)Nc1ccccc1 72311616 UDWJAYVWBNGUOT-OAHLLOKOSA-N 320.396 3.103 0 40 DGAB C[C@H]1CN(C(=O)CSC(C)(C)C)c2ccccc2NC1=O 78869220 SOMROZMXBJIYMR-NSHDSACASA-N 306.431 3.140 0 40 DGAB O[C@@H](CN(Cc1ccccc1)Cc1ccon1)c1cccs1 84535737 BASKSYCGCOJICG-INIZCTEOSA-N 314.410 3.472 0 40 DGAB CSC[C@H](NC(=O)NCc1ccc(C)nc1)c1ccccc1 95399013 FIZMLOQZZRGEGH-INIZCTEOSA-N 315.442 3.294 0 40 DGAB C[C@H]1CCc2c(C(=O)N(C)CCOCC3CC3)csc2C1 79071189 PCDLKQCFRGOHBV-LBPRGKRZSA-N 307.459 3.372 0 40 DGAB C[C@H](O)C1CCN(C(=O)C2(Cc3ccccc3)CCC2)CC1 84636617 ZPQOUCIMKKVGAQ-HNNXBMFYSA-N 301.430 3.019 0 40 DGAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1cccnc1 84736505 CSXLXEWDTLVZLS-GOSISDBHSA-N 323.440 3.271 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)Nc1ccc2nn[nH]c2c1 95434487 WTFYZYZNHQULBO-SECBINFHSA-N 301.375 3.244 0 40 DGAB C[C@H](CC1CCOCC1)Nc1ccc(N2CCCC2=O)cc1 95990533 ASJVGIMIQCTQIX-CQSZACIVSA-N 302.418 3.431 0 40 DGAB Cc1nc(-c2ccc(S(=O)(=O)N(C)[C@@H](C)C(C)C)cc2)co1 95960104 UZFBKMCPRZSWBV-LBPRGKRZSA-N 322.430 3.315 0 40 DGAB CCC[C@@](C)(NC(=O)c1cc(Cl)sc1Cl)C(=O)O 95956936 KNMKWEDXCMKJLY-LLVKDONJSA-N 310.202 3.428 0 40 DGAB COc1ccccc1CNC(=O)c1cc2ccccc2cc1O 9996152 LXTVIYMTXRZWLN-UHFFFAOYSA-N 307.349 3.484 0 40 DGAB COc1cccc([C@H]2C[C@H]2C(=O)Nc2cnc(C3CC3)nc2)c1 89469908 YAMNMSQBWYNQSI-HZPDHXFCSA-N 309.369 3.105 0 40 DGAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccncc3)n2)cc1 67898649 FQIVKVOZOVTNPY-SFHVURJKSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro O=C([C@H]1CC=CCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 25716617 YHJXMPQZBBSJGM-GOEBONIOSA-N 313.397 3.478 0 40 DGAB O=C(O)c1cn(Cc2cccc(Cl)c2)nc1C(F)(F)F 408717483 CFMNPVBWQWYEDO-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)Nc2ccccc2S1(=O)=O 4483819 KJGDOHJJFSEOSK-UHFFFAOYSA-N 322.773 3.389 0 40 DGAB COc1ccccc1CNC(=O)c1cc(-c2ccccc2)no1 32913612 CQCNKSJULRAEIN-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CCOC(=O)C[C@@H](O)c1ccc(OCc2ccccc2)cc1 34758896 JLOHCJGAMMDPLV-QGZVFWFLSA-N 300.354 3.252 0 40 DGAB Cn1c(CN[C@@H]2CCCC[C@@H]2C(F)(F)F)nnc1C1CCC1 124141453 JTEMFVSIYOGCOL-NWDGAFQWSA-N 316.371 3.293 0 40 DGAB COc1ccc(CCCNC(=O)[C@H](C)Oc2ccccc2)cc1 219485057 CVWJCFBPWAWQJG-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB Cc1noc(C)c1C(=O)OCc1nc(Cl)ccc1Cl 78446120 LFRPUEIMWQKEGZ-UHFFFAOYSA-N 301.129 3.350 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccoc2)cc1 186122217 GZVDXXILCYVWKZ-UONOGXRCSA-N 307.415 3.101 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)N[C@@H](C)CC 225050569 KQYSUFAOFQBJJF-GJZGRUSLSA-N 304.434 3.037 0 40 DGAB Cc1nn(C)c(NC(=O)[C@@H]2SCCc3ccccc32)c1C 80105475 NCCOYIGJYVMHOB-CQSZACIVSA-N 301.415 3.006 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2N[C@H](c1ccccc1)c1ccccn1 195553787 JMQNIDIKBXNMOO-QZTJIDSGSA-N 319.412 3.196 0 40 DGAB CN(Cc1ccccc1)c1ccc(N)cc1C(=O)N1CCCC1 225484629 QPEHYDVKLZENBL-UHFFFAOYSA-N 309.413 3.141 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)O)o1 195551716 GHLBBMQGDUXXFK-QMMMGPOBSA-N 309.268 3.089 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)NC1CCCCCCC1 96416867 KNRDUBOUFPJLLH-UHFFFAOYSA-N 305.422 3.499 0 40 DGAB Cc1ccc(C)c(OC[C@H](O)Cn2nccc2-c2ccncc2)c1 95438845 MWVDIIQNKNZZDE-QGZVFWFLSA-N 323.396 3.002 0 40 DGAB C[C@@H]1C[C@H](Sc2nnc(CCCc3ccccc3)o2)C(=O)O1 96430332 MQFATJXHCGPXQN-YPMHNXCESA-N 318.398 3.041 0 40 DGAB CC(C)CN1CCC(c2nc3ccc(NC(C)C)cn3n2)CC1 96260709 XDUBSBYFEBULEK-UHFFFAOYSA-N 315.465 3.385 0 40 DGAB Cc1cc(N2CCNCC2)nc2c(C)cc(Br)cc12 95095263 OKJVCFPIFGHQGV-UHFFFAOYSA-N 320.234 3.024 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3sccc3C)C2)c1 257316791 VHABEZPQGVBIGC-CYBMUJFWSA-N 315.442 3.431 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3NCCC[C@H]3O[C@@H]21 257334406 YFSWMSZMWPDGFD-ANQUJSFKSA-N 317.429 3.455 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 55214385 OADXXVNGTQSZLA-ZDUSSCGKSA-N 301.411 3.430 0 40 DGAB Cc1ccc(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1C 1772714668 FXLQNAUJTCIMLW-CQSZACIVSA-N 307.390 3.214 0 40 DGAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccc(C)cc1 13132661 ZAFLJLRMBAWZNA-VZCXRCSSSA-N 320.348 3.250 0 40 DGAB CCCC(=O)N1CCCC[C@H]2NCC[C@H](c3ccccc3)[C@H]21 19501429 PBWCVDPEJGHMAN-ZHALLVOQSA-N 300.446 3.313 0 40 DGAB COc1ccc2c(c1)C[C@@H](c1cccnc1)N[C@H]2c1ccncc1 19562634 GRPOZKYPJMCLEB-PMACEKPBSA-N 317.392 3.462 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)c1nc2ccccc2s1 19580453 LHIZBSMMYSEQKK-SNVBAGLBSA-N 315.398 3.321 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)c1ccccc1F 19932222 FRZQRZBVTLYIDG-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)cc1 153837240 SPFCJUDIGXHEJN-INIZCTEOSA-N 302.462 3.368 0 40 DGAB CCN(CC)CCNc1nc(C)nc2sc3c(c12)CCC3 28165934 JXIULHSFGWBMKL-UHFFFAOYSA-N 304.463 3.242 0 40 DGAB O=C(Nc1ccc2scnc2c1)[C@H]1COc2ccccc2O1 10217550 MEBKHKTZNVEJTI-CQSZACIVSA-N 312.350 3.075 0 40 DGAB Fc1ccc2nc(N3CC(N4C[C@H]5CCC[C@@H]5C4)C3)sc2c1 2070376951 XGBRYAXUNHNIKJ-VXGBXAGGSA-N 317.433 3.356 0 40 DGAB O=C(Nc1ccccc1Cc1ccccc1)c1ccc(=O)[nH]c1 16051114 OIVPHLRKOIGZIN-UHFFFAOYSA-N 304.349 3.218 0 40 DGAB CCOC(=O)N1CCN([C@H](C)c2c(C)cc(C)cc2C)CC1 40158322 LMSALTFXDAQGES-MRXNPFEDSA-N 304.434 3.447 0 40 DGAB COC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 20220558 OLROFVKYHYTDED-UHFFFAOYSA-N 310.397 3.160 0 40 DGAB Cc1ncsc1C(=O)NC[C@@H](c1ccco1)N1CCCCC1 40533884 RDBVTSGOFFQOBF-ZDUSSCGKSA-N 319.430 3.002 0 40 DGAB Cc1cccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1C 40525340 HPXZKABXSTVQBD-INIZCTEOSA-N 302.349 3.298 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1occc1C)c1ccsc1 31992769 XOYRTGRTZXYPJY-AWEZNQCLSA-N 306.431 3.462 0 40 DGAB C[C@@H]1CCCC[C@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 300485 HBHDQNPFGNFTOS-RHSMWYFYSA-N 304.409 3.162 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1 116331 WGCOTTSEEDWSCX-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB biogenic O=C(NCCCOc1ccccc1F)NCCc1cccs1 32802368 CTKNTUCLICRTOB-UHFFFAOYSA-N 322.405 3.198 0 40 DGAB CCc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1 2713322 AWDNAMNNSHVYSR-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Brc1ccc(NCc2nnc3n2CCCCC3)cc1 3212512 YZHDUEWSSUDIRP-UHFFFAOYSA-N 321.222 3.379 0 40 DGAB CN(Cc1ccc(-c2ccccc2)cc1)C(=O)c1cccc[n+]1[O-] 52512213 OTDZPQHYKLJFPE-UHFFFAOYSA-N 318.376 3.259 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC1CCCCC1 32999422 XDYMGJWBKUYHAL-AWEZNQCLSA-N 310.438 3.082 0 40 DGAB Cc1cc(C)c(NC(=O)C2CCN(c3ncccn3)CC2)c(C)c1 4965873 NRMPYRYZBXWUQO-UHFFFAOYSA-N 324.428 3.257 0 40 DGAB Cc1ccc(NC(=S)NCCSc2ccccc2)nc1 7368142 IKWJGZHTMSDFMN-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB COc1cccc(C(=O)NCc2ccccc2CN2CCCC2)c1 8011629 ZEYXXCMOGGIHBA-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1cc(Cl)ccc1O 21938384 KZYQBGMOZZVBSW-UHFFFAOYSA-N 318.804 3.037 0 40 DGAB CCOc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3)C2=O)cc1 100572092 OGFQAFUQQHLVDQ-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB CC(C)Oc1ccc(-c2noc(C(=O)NC3CCCC3)n2)cc1 12409874 VEHJDZJBYGSOKP-UHFFFAOYSA-N 315.373 3.196 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@H]2CCCc3ccccc32)cc1 20482471 QDQQRPFQILVKSG-SFHVURJKSA-N 315.438 3.492 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@H]2CC2(Cl)Cl)o1 76067496 OPEAJOOMZDLFMA-ZJUUUORDSA-N 320.241 3.398 0 40 DGAB COCC(=O)N1CCC[C@@H]1c1nc(-c2ccc(Cl)cc2)c[nH]1 72288561 QRCVXULKQFMIPC-CQSZACIVSA-N 319.792 3.040 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2nncs2)C2CC2)o1 43129332 UHROZYOUPSMGSQ-SKDRFNHKSA-N 318.402 3.451 0 40 DGAB C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(F)cc1F 12520428 FNMFSGZBKJSXCV-SNVBAGLBSA-N 301.296 3.104 0 40 DGAB O=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55943717 RMUVQGKPQONRQH-AEFFLSMTSA-N 317.360 3.388 0 40 DGAB CCn1cc([C@@H]2OCC[C@H]2CN[C@H](C)c2cccc(F)c2)cn1 107322486 ZBSIIEMBYXGQGV-QIIPPGSGSA-N 317.408 3.471 0 40 DGAB CC(C)n1ccc(C(=O)OCc2nccn2Cc2ccccc2)n1 69976831 QHVNJFGIMJZSSJ-UHFFFAOYSA-N 324.384 3.066 0 40 DGAB CN(CC1CCCC1)C(=O)C[C@H]1Sc2ccccc2NC1=O 58085505 ZNYQVAFRQRZGHM-OAHLLOKOSA-N 318.442 3.138 0 40 DGAB Cc1cccc(-n2nnnc2SCc2nc(C)c(C)o2)c1C 58179949 NJMXTWKXLQLSKH-UHFFFAOYSA-N 315.402 3.176 0 40 DGAB CCCCC(=O)Nc1ccc(OC)c(OC[C@H]2CCCO2)c1 48189870 LGFUAXVLRDQNBM-CQSZACIVSA-N 307.390 3.382 0 40 DGAB CN(C)CCNC(=O)c1ccc(CSc2ccccc2)cc1 10111498 UKVDXGXKKYNMQD-UHFFFAOYSA-N 314.454 3.270 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)c1ccc(F)c(Cl)c1 44947340 AUGGQZVTYRCHQD-UHFFFAOYSA-N 303.742 3.058 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccco1)N(CC(F)(F)F)c1ccccn1 60350759 SMJBGRBMHWYIAT-GHMZBOCLSA-N 310.275 3.374 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)[C@@H]1CCCO1 27898372 YGMKDASNPLHXQG-ONGXEEELSA-N 306.387 3.009 0 40 DGAB CCCc1n[nH]c(SCc2nnc(Cc3ccccc3)o2)n1 58312437 ZBOXIBAXIBLHDP-UHFFFAOYSA-N 315.402 3.023 0 40 DGAB CCCCc1nnc(NC(=O)[C@@]2(C)CC2(Cl)Cl)s1 28640960 FWFNYMYMJRJQAX-SNVBAGLBSA-N 308.234 3.403 0 40 DGAB COC(=O)C[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 38026062 FXOQJNFOCYPSPI-LLVKDONJSA-N 313.756 3.037 0 40 DGAB C[C@@H](NC(=O)c1cnns1)c1cccc(C(F)(F)F)c1 48771429 IVEZDYSVFHIIBO-SSDOTTSWSA-N 301.293 3.048 0 40 DGAB CCOCC(=O)Nc1ccc(-c2cn3ccsc3n2)cc1 5083858 VTVWYKDMUZBQTD-UHFFFAOYSA-N 301.371 3.038 0 40 DGAB O=C(Nc1ccc(-n2cnc(Cl)c2Cl)nc1)c1ccco1 61720316 MPYIPADMJMCILE-UHFFFAOYSA-N 323.139 3.419 0 40 DGAB COc1ccc(Cc2nn3c(C(C)(C)C)nnc3s2)cc1 4487483 NHZLGROJGGLMLM-UHFFFAOYSA-N 302.403 3.083 0 40 DGAB CCC[C@@H](C)C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 65576262 MNZFLQPEQIEEQZ-MNOVXSKESA-N 305.353 3.489 0 40 DGAB O=C(C1CCC1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 65621958 SZCARAWXDWVJCR-MOPGFXCFSA-N 312.457 3.442 0 40 DGAB COc1cc(N[C@H](C)C(=O)Nc2ccccc2)cc(OC)c1 9111994 IWLXEZHJRKIIKY-GFCCVEGCSA-N 300.358 3.143 0 40 DGAB Cc1ccc(Nc2n[nH]nc2C(=O)N2CCCCCC2)cc1C 67284501 KRYHYMMRAVKZQV-UHFFFAOYSA-N 313.405 3.181 0 40 DGAB CCOc1ccc(N[C@H](CC)C(=O)Nc2nnc(C)s2)cc1 7460467 UUDQCKKMBUPBJV-CYBMUJFWSA-N 320.418 3.074 0 40 DGAB COC[C@@H](C)NC(=O)Nc1sc(-c2ccccc2)nc1C 96010726 BSOJXFHCJXNHNF-SNVBAGLBSA-N 305.403 3.275 0 40 DGAB CC(=O)Nc1ccc(CC(=O)OCc2nc3ccccc3o2)cc1 7513594 LLDVDCBCCBDLTG-UHFFFAOYSA-N 324.336 3.072 0 40 DGAB Cc1csc(NC(=O)N[C@H](CCCO)c2ccccc2)n1 77516824 FWTNPBVOYNXHIZ-CYBMUJFWSA-N 305.403 3.087 0 40 DGAB Cc1cccc(NC(=O)c2cc3ccc(O)cc3o/c2=N\O)c1C 9553483 JFCZGTRYSJUGDA-ZZEZOPTASA-N 324.336 3.297 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1ccc(-c2ccco2)nc1C 69530474 LQAPAJQGEBJZSB-CQSZACIVSA-N 314.385 3.149 0 40 DGAB C[C@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)n1cncn1 71903451 AJFJLSRHFFNSMA-MLGOLLRUSA-N 316.380 3.026 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 71997155 LYQAOGHTBRCNPM-SUMWQHHRSA-N 314.385 3.154 0 40 DGAB c1cncc(Oc2ccccc2CN2CCn3ccnc3C2)c1 97201249 PJVIPZJAPQKMLT-UHFFFAOYSA-N 306.369 3.086 0 40 DGAB CC[C@@H](C)NC(=O)CSc1nc(-c2ccc(F)cc2)c[nH]1 9750315 XWWNMBCQKVWFSW-SNVBAGLBSA-N 307.394 3.223 0 40 DGAB CO[C@]1(C)C[C@H](NC(=O)N[C@@H](C)c2csc(C)n2)C1(C)C 78952817 GJIRENQVZVDPCH-ONENECBXSA-N 311.451 3.015 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccccc1[S@](C)=O 84667370 UQAMYPVNNPPPEJ-AMXDTQDGSA-N 317.414 3.044 0 40 DGAB CSc1c(Cl)cccc1NC(=O)NCCCn1ccnc1 95403995 DEKNURQVXFRDJB-UHFFFAOYSA-N 324.837 3.470 0 40 DGAB CC[C@H](C)n1nc(NC(=O)c2c[nH]c3ccccc3c2=O)cc1C 95463310 FOSPCYLWFFFJPN-NSHDSACASA-N 324.384 3.256 0 40 DGAB C[C@H](CO)CN1CCCN(c2ccc(Cl)c(Cl)c2)CC1 95452687 ZMUPPKNGCDTRRX-LBPRGKRZSA-N 317.260 3.134 0 40 DGAB O=C(NC1CCCCC1)C1CCN(c2ccncc2Cl)CC1 95408559 UTVJVWPGHJLEQD-UHFFFAOYSA-N 321.852 3.400 0 40 DGAB Cc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)cc1 95419774 SSWKPRPHSRMTRW-INIZCTEOSA-N 306.413 3.486 0 40 DGAB CCc1cccc(N(C#N)CC(=O)Nc2ccccc2OC)c1 95411497 KLTRWGKQIQKSNW-UHFFFAOYSA-N 309.369 3.184 0 40 DGAB C[C@@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 95422123 HAOVAOKSOIUZBQ-ABAIWWIYSA-N 321.346 3.428 0 40 DGAB CC(C)c1cnc(SCC(=O)Nc2ccncc2)n1C1CC1 85252031 ALBQWWIFYCNDHY-UHFFFAOYSA-N 316.430 3.467 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1CCC(=O)NC1CC=CC1 95976214 HWYMZFCNGUXNGF-AWEZNQCLSA-N 308.422 3.001 0 40 DGAB Cn1cc(C(=O)N[C@H](c2ccccc2)C2CCCC2)ccc1=O 95950720 FVFVMVHTBLNNGY-GOSISDBHSA-N 310.397 3.047 0 40 DGAB CC(C)c1cnc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)o1 95984372 HKGXXTQMGHPLON-GFCCVEGCSA-N 322.430 3.052 0 40 DGAB COc1ccc(NC(=O)Nc2c[nH]nc2-c2ccccn2)cc1 89444345 RLEBUWHOMGDALG-UHFFFAOYSA-N 309.329 3.124 0 40 DGAB COC(=O)c1cccc(C)c1NC(=O)CCCc1ccccn1 75137815 SBSRRVKAFMYXDL-UHFFFAOYSA-N 312.369 3.138 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)N1CC[C@@H](Oc2cccnc2)C1 89794077 JNYCASWOAKDGSZ-GOSISDBHSA-N 323.396 3.256 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@H]1CCC[C@@H](C2CC2)C1 89885409 IFOQSOYQOUHUSC-OLZOCXBDSA-N 303.431 3.023 0 40 DGAB O=C(Cc1ccon1)N[C@@H]1CCCOc2c1ccc1ccccc21 89873163 WBPVKHCKCUNQLL-QGZVFWFLSA-N 322.364 3.400 0 40 DGAB CC1(C)[C@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@H]21 89917684 LJCYTFVKJVXGFS-TXEJJXNPSA-N 314.414 3.325 0 40 DGAB CC(=O)c1cc(C(=O)N2C[C@H](C)Sc3ccccc32)n(C)c1 89941245 SKRUQRNMNNDQHE-NSHDSACASA-N 314.410 3.369 0 40 DGAB CC(C)(C)OC(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 26423669 NPZNWHFHEXEXTC-UHFFFAOYSA-N 323.462 3.073 0 40 DGAB O=C(CSCc1ccc(Cl)cc1)NCc1ccncc1 20238138 VEQXGFDIPHANMC-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB c1cncc(-c2cnc3n2C[C@H]2CN(Cc4ccsc4)C[C@H]32)c1 306127464 FZCZJOXRMGOYII-CVEARBPZSA-N 322.437 3.236 0 40 DGAB CCc1nccn1-c1cncc([C@H]2CCCN2C2CCCC2)n1 72378708 PJYRQTVLCNXEEW-MRXNPFEDSA-N 311.433 3.304 0 40 DGAB CC(C)c1nc([C@H](C)NC(=O)c2ccnc(N(C)C)c2)cs1 79310818 OGYFKOPAUCXLEO-NSHDSACASA-N 318.446 3.219 0 40 DGAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1 35179103 XWUPUPRKXOCHFK-CQSZACIVSA-N 300.745 3.084 0 40 DGAB COc1ccc(-c2ccc(S(=O)(=O)NC(C)(C)C)cc2)cc1 72414505 BKQJHHNQEWVOPI-UHFFFAOYSA-N 319.426 3.439 0 40 DGAB COc1ccc([C@H](CC(=O)O)c2ccc(F)cc2)cc1OC 41529006 LUHJUDQOUWKJSU-CQSZACIVSA-N 304.317 3.450 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NC(C)C 222456102 APNLJYKYDZPIPA-QGZVFWFLSA-N 318.461 3.427 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NC(C)C 222552477 IQPGDMYOCFQPGR-HNNXBMFYSA-N 324.852 3.382 0 40 DGAB COC(=O)c1sccc1CN1CCC[C@@H]1c1cc(C)on1 195537830 ISYSWUOLVBJAGP-CYBMUJFWSA-N 306.387 3.168 0 40 DGAB c1ccc(-n2cnnc2CNc2ccc3ccccc3n2)cc1 95459723 AOEVPCVVKOMKJV-UHFFFAOYSA-N 301.353 3.428 0 40 DGAB c1ccc(COC[C@@]23CCCO[C@H]2CCN(C2CCC2)C3)nc1 96040276 NGZZMZXGBBFMBF-OALUTQOASA-N 316.445 3.022 0 40 DGAB CC(=O)Nc1ccccc1CNC(=O)N1CCC[C@@H]2CCC[C@@H]21 95404716 CFENIGGUVJLTGR-YOEHRIQHSA-N 315.417 3.119 0 40 DGAB C[C@H](O)CCN(C)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 97228813 RBJVWKQEBXRPEO-SJCJKPOMSA-N 316.401 3.296 0 40 DGAB O=C(NCC1([C@H](O)c2ccccc2)CC1)c1c[nH]c2ccccc12 95443582 VSNDVSYTAJGQIT-GOSISDBHSA-N 320.392 3.412 0 40 DGAB FC(F)(F)Cn1cc(NCc2cnn(-c3ccccc3)c2)cn1 92845734 LVYWOBUJJVUJSL-UHFFFAOYSA-N 321.306 3.243 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)CC(F)(F)C(F)F 69896157 PUBZXIVOCVBFOD-JTQLQIEISA-N 316.302 3.161 0 40 DGAB CCc1cccc(C)c1NC(=O)N1CCN2CCCC[C@H]2C1 104970641 WAYSQXOHQWGJLX-INIZCTEOSA-N 301.434 3.259 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1ccc(F)cc1F 13265245 OUVBHHHIPSQRGP-DYVFJYSZSA-N 301.340 3.325 0 40 DGAB CCCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)CC 13779187 PQIPBBOQQOETMN-UHFFFAOYSA-N 300.402 3.375 0 40 DGAB CCN(CC)[C@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 19300968 HVVJUXFOQXODOL-QMMMGPOBSA-N 303.661 3.187 0 40 DGAB CCCC(=O)N1CCN(c2nc3c(C)cc(C)cc3s2)CC1 5182357 DSESEFXLIDWEBI-UHFFFAOYSA-N 317.458 3.362 0 40 DGAB Cc1nc(S[C@H](C)C(=O)NC2CCCC2)c2ccccc2n1 4240119 DGYZJFZAEKTXTG-LLVKDONJSA-N 315.442 3.478 0 40 DGAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1ccncc1 5227088 ZHAVPCQBKPOQEB-SNVBAGLBSA-N 310.275 3.471 0 40 DGAB Cc1cc2ncn(C3=CC(=O)N(c4ccccc4)C3=O)c2cc1C 1441962 GRIJZXJESOBYJM-UHFFFAOYSA-N 317.348 3.067 0 40 DGAB O=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(F)c(F)c1 206625107 ZINDVBQJEYHUCG-AWEZNQCLSA-N 319.351 3.251 0 40 DGAB O=C(CCc1ccco1)NCc1cccnc1OC1CCCC1 40089429 KIFFVIRGPWJEMZ-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB CCc1ccc(O[C@H](CC)C(=O)NC2CCN(CC)CC2)cc1 20192676 LVUPZNCXJLIUKF-GOSISDBHSA-N 318.461 3.007 0 40 DGAB COc1cccc(C(=O)NCC2(c3ccccc3)CC2)c1OC 11899213 GZSQIRODRMRYIO-UHFFFAOYSA-N 311.381 3.165 0 40 DGAB COc1cc(C=O)cc(OC)c1OC(=O)c1ccc(C)cc1 336163 LWUAJIHJNXXUEG-UHFFFAOYSA-N 300.310 3.044 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)OCCCO3)o1 32716641 JOAFVWRQUHBUOL-UHFFFAOYSA-N 301.342 3.022 0 40 DGAB C[C@@H]1Oc2ccccc2N(CC(=O)c2cccc(Cl)c2)C1=O 1328490 TVMZMSUHALPILK-NSHDSACASA-N 315.756 3.337 0 40 DGAB ClC(Cl)(Cl)[C@H]1OCO[C@H](C(Cl)(Cl)Cl)O1 1706958 VQJJRXHXZLXWRO-HRFVKAFMSA-N 324.802 3.400 0 40 DGAB O=c1c2ccccc2c(=O)n(-c2ccccc2)n1-c1ccccc1 1719336 YDJLXZOYRIGAPP-UHFFFAOYSA-N 314.344 3.142 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(NC[C@H]4CCCO4)c23)C1 1972846 POHPARJKILSJOV-WDEREUQCSA-N 303.431 3.407 0 40 DGAB c1ccc2c(c1)OC[C@H](CNCc1cccc3cccnc13)O2 32899494 HIYOMLKCLCXLLB-INIZCTEOSA-N 306.365 3.164 0 40 DGAB NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)c(Cl)c2)cc1 3609976 ICFQDCQSXKYGHW-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB COc1ccc(NC(=O)COc2cccc(C)c2C)cc1OC 3611648 LZTZHKLMNHGYPN-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 102402464 LSMRYOJBUVLCQT-MELADBBJSA-N 317.385 3.003 0 40 DGAB Cc1cc(C)n(C(=O)CCCCCNC(=O)c2ccccc2)n1 4169345 YKIOOEKSQILRIZ-UHFFFAOYSA-N 313.401 3.131 0 40 DGAB COc1ccccc1C1=NCC(=O)Nc2sc3c(c21)CCC3 6556126 KMSZPTNMFPNCFO-UHFFFAOYSA-N 312.394 3.035 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc2ccccc2c1 7053623 ZOLYEXOOALFGOX-UHFFFAOYSA-N 302.355 3.245 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)NCc1ccc2c(c1)OCO2 32924019 LMEDLYIUMWVERB-UHFFFAOYSA-N 318.398 3.234 0 40 DGAB Cc1cccc(N2CCN(c3ccnc(C4CC4)n3)CC2)c1C 110111843 QACHNRWCPXVONF-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB CCCOc1ccc(-c2nc3ccccc3c(=O)[nH]2)cc1OC 53846101 AXMZPBYUKNRENR-UHFFFAOYSA-N 310.353 3.388 0 40 DGAB NC(=O)c1c(NC(=O)CCC2CCCC2)sc2c1CCC2 28225411 RCDOLEKLXNUHBN-UHFFFAOYSA-N 306.431 3.245 0 40 DGAB Fc1cc(Br)ccc1OCC[C@@H]1CCCCN1 42773604 PTDBSBLPOUUUOI-NSHDSACASA-N 302.187 3.499 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)N[C@@H](C)[C@@H]2CCCO2)c1 106567771 GSOJEYLHXCPHIS-JQFCIGGWSA-N 318.417 3.109 0 40 DGAB CC(C)(C)c1cnc(CN2CCCC[C@@H]2Cn2cccn2)o1 71875263 QEEIAJVMXZYCNB-CQSZACIVSA-N 302.422 3.223 0 40 DGAB CC(C)CCN1COc2ccc3c4c(c(=O)oc3c2C1)CCC4 57405827 RCBZXFYSFYTZHT-UHFFFAOYSA-N 313.397 3.480 0 40 DGAB O[C@@H](C[C@@H]1CCCN1CCN1CCCCC1)c1ccccc1 76107477 CAXPNAXPVKEFSH-OALUTQOASA-N 302.462 3.060 0 40 DGAB CN1CCCC[C@H]1CCSc1nnc(-c2ccco2)n1C 57652320 HMBJUHKPQBTSAU-LBPRGKRZSA-N 306.435 3.042 0 40 DGAB CCOc1ccc(C(=O)COc2ccccc2NC(C)=O)cc1 3327541 WZRRZVBIVNPVMP-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB Cc1cccc(-c2noc(CN(C[C@@H](C)O)c3ccccc3)n2)c1 58425849 SMBRXHBIWCVOIV-OAHLLOKOSA-N 323.396 3.432 0 40 DGAB Cc1ccc(C(=O)COC(=O)Cn2c(C)nc3ccccc32)cc1 3360996 RNYWSZSCYQPBRW-UHFFFAOYSA-N 322.364 3.079 0 40 DGAB Cc1ccc2nc(CNc3cccc(Cl)c3F)cc(=O)n2c1 11624228 XRMBRGZIVNUNGG-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB COC(=O)c1ccc(N[C@H](C)C(=O)Nc2ccccc2F)cc1 3454038 QVEUYOVZCJYHMC-LLVKDONJSA-N 316.332 3.051 0 40 DGAB CN(Cc1cccs1)C(=O)/C=C/c1cnc2ccccc2n1 3439927 GGEBJXRXADCDLB-CMDGGOBGSA-N 309.394 3.363 0 40 DGAB CCn1c(C)cc(/C=C2/SC(=O)N(CCCOC)C2=O)c1C 409251909 QYSMMOGWAPEOLM-GXDHUFHOSA-N 322.430 3.198 0 40 DGAB C[C@@]1(c2ccco2)NC(=O)N(Cc2cccc3ccccc23)C1=O 8775600 NXNQVGIWOYZTPA-IBGZPJMESA-N 320.348 3.400 0 40 DGAB CCCCc1cc(C)c(S(=O)(=O)c2ccccc2C)c(=O)[nH]1 4002710 IBGLUUQBEAIFGN-UHFFFAOYSA-N 319.426 3.167 0 40 DGAB CCOc1ccc(C(=O)[C@H](C)Sc2nc(C)cc(O)n2)cc1 4034038 JDSXBAFMIVHDNS-NSHDSACASA-N 318.398 3.253 0 40 DGAB CN(C(=O)c1csc(Cc2ccccc2)n1)c1nccs1 41842961 BDCZUPOJXYJTRK-UHFFFAOYSA-N 315.423 3.467 0 40 DGAB C[C@H]1C[C@@H](C)CN(c2ncnc3c2cnn3-c2ccccc2)C1 13646437 DBVCYPVFCZUJDE-OKILXGFUSA-N 307.401 3.298 0 40 DGAB C[C@@H](OC1CCCC1)C(=O)Nc1ccc(-n2cccn2)c(F)c1 70788400 IDCSRGXJWQOKRP-GFCCVEGCSA-N 317.364 3.298 0 40 DGAB COc1c(CN[C@H]2CCc3cc(Cl)ccc32)c(C)nn1C 65478833 BDZVCDDWFDXSDG-HNNXBMFYSA-N 305.809 3.168 0 40 DGAB Cc1ccc(CNC(=O)N[C@@H]2CCSc3ccccc32)n1C 65440521 LVXMFOMJNSUKLA-OAHLLOKOSA-N 315.442 3.370 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CCO1 14084608 KIWWUJKSYIEMAR-NSHDSACASA-N 305.761 3.461 0 40 DGAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)s1 8942840 DTWIFKFHVBVTMU-UHFFFAOYSA-N 320.439 3.348 0 40 DGAB COc1cc(NC(=O)c2ccc(F)cc2F)cc(OC)c1OC 5577510 FGJYPLFRCQRZKC-UHFFFAOYSA-N 323.295 3.243 0 40 DGAB Cc1cccc(-c2noc(CN3CCC[C@@H]3c3cnn(C)c3)n2)c1 71797207 YKMKOILMNSDVSV-MRXNPFEDSA-N 323.400 3.116 0 40 DGAB CCc1cc2c(=O)n(CCOc3cccc(C)c3)cnc2s1 5606567 FXZXWDVYOWMAET-UHFFFAOYSA-N 314.410 3.408 0 40 DGAB Cc1cc(Br)cnc1NC(=O)CCC(F)(F)F 96482590 ZAEOBNYHRJMRRS-UHFFFAOYSA-N 311.101 3.434 0 40 DGAB COc1ccc(C(=O)NCCc2cc(C)ccc2OC)c(F)c1 6987136 ZESPQLRRTHXJSY-UHFFFAOYSA-N 317.360 3.124 0 40 DGAB COc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1OC 5937408 NEWOZZROWVAQIF-UHFFFAOYSA-N 315.369 3.420 0 40 DGAB N=C1Nc2nc3ccccc3n2[C@@H](c2ccc(Cl)c(F)c2)N1 67438670 JZAAFZONCNMWLD-ZDUSSCGKSA-N 315.739 3.326 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2c[nH]cc2C)c(OC)c1 71810508 JIXZEXGYXFNZCB-MRXNPFEDSA-N 314.385 3.318 0 40 DGAB Cc1cc(C)c(C(=O)[C@H](C)Sc2nnc(N)s2)cc1C 7535620 GXIVBRRGFBWKRZ-JTQLQIEISA-N 307.444 3.409 0 40 DGAB Cn1cccc1[C@@H]1CCCN1Cc1nc(-c2ccccc2)no1 7855325 NYPAJFHDKYHKOR-INIZCTEOSA-N 308.385 3.412 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)CNC(=O)c2ccco2)CC1 8389045 DVJVSOATWDDDEN-UHFFFAOYSA-N 320.433 3.121 0 40 DGAB CN1CCC(N(C)C(=O)Cc2cc(Cl)ccc2Cl)CC1 69492556 SKPBRRQXQQMQHB-UHFFFAOYSA-N 315.244 3.089 0 40 DGAB CC[C@H](NC(=O)N[C@H](C)c1cn(C)nc1C)c1nc(C)cs1 72274059 YPLPAPFRYDKQEF-MFKMUULPSA-N 321.450 3.005 0 40 DGAB C[C@@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1cccnc1 97143266 ZGRNJPUAWWTISE-SNVBAGLBSA-N 322.315 3.003 0 40 DGAB COCCSc1ccc(NC(=O)NCCn2cccc2)cc1 84323215 JLBUDAXPDPWCBF-UHFFFAOYSA-N 319.430 3.048 0 40 DGAB C[C@H](CC[C@@H]1CCCO1)NCc1cccc2c1OCCCO2 95393607 YPKWTKUVHDVFOP-ZBFHGGJFSA-N 305.418 3.285 0 40 DGAB Cc1ccc(NC(=O)NC2(C)CCC2)cc1O[C@@H]1CCOC1 95974362 LRTGMGQEEAPEMB-CQSZACIVSA-N 304.390 3.227 0 40 DGAB CCc1ncsc1NC(=O)N[C@H](C)[C@@H]1COc2ccccc21 89282678 ATPGMIGLBOBTHQ-PWSUYJOCSA-N 317.414 3.392 0 40 DGAB O=C(NCC(F)F)N1CCC(Oc2ccccc2Cl)CC1 89814440 BIPITDLIHKTUPI-UHFFFAOYSA-N 318.751 3.158 0 40 DGAB C[C@@H]1CCC[C@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 89927320 VZBBTZOZTRYFFU-WOPDTQHZSA-N 316.371 3.386 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)C1CCCC1 32661559 XQSXOSXINRTPLA-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB CCC[C@@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC 408557411 MOLOGUBFJSZJKT-SNVBAGLBSA-N 305.827 3.206 0 40 DGAB COc1ccc(CNCc2cccc(CO)c2)c(Cl)c1OC 78656925 SRJMIQAAZNCMPB-UHFFFAOYSA-N 321.804 3.139 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccccc2Cl)cc1 72228026 UURKZQICIKUXMP-JKSUJKDBSA-N 300.789 3.318 0 40 DGAB O=C(CCc1ccc(F)cc1)N1CCCC[C@H]1c1cc[nH]n1 72386259 DVZMNZMMFLWEJJ-INIZCTEOSA-N 301.365 3.235 0 40 DGAB CCc1onc(C)c1NC(=O)Nc1ncn(C2CCCCC2)n1 126140686 GYKLXILJDFLZHC-UHFFFAOYSA-N 318.381 3.286 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](C(=O)c2ccccc2)COC1(C)C 72208785 OMKKXBHLANHGOC-ZDUSSCGKSA-N 305.374 3.241 0 40 DGAB CN(C(=O)NC[C@@H](c1ccccc1)N1CCCC1)C1CCC1 73415460 GHNOJRKNBCXUSN-KRWDZBQOSA-N 301.434 3.017 0 40 DGAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1O 49547049 ZLSZXLBBXLLOQM-NSHDSACASA-N 315.373 3.476 0 40 DGAB O=C(NCc1cccs1)NCc1cccnc1-c1ccco1 225662502 AFMRRTIBGPCFML-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 222987746 ZFYUIWQCIUODIH-HOTGVXAUSA-N 314.458 3.491 0 40 DGAB Cc1ccc2oc(-c3cc(-n4cnnc4)cc(C)c3O)nc2c1 45920577 DZJXTGGYINGAJE-UHFFFAOYSA-N 306.325 3.398 0 40 DGAB Cc1noc(C)c1C(=O)NCc1cncc(-c2cccs2)c1 225665846 DCRJLWVYNPKWPP-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)N1CCCCCC1 40759485 CKWZHDDRNVOANM-UHFFFAOYSA-N 305.809 3.482 0 40 DGAB O=C(CSCc1ccc(Cl)cc1F)NCc1cccnc1 224957631 KOVJCLSBQMTBLF-UHFFFAOYSA-N 324.808 3.424 0 40 DGAB COc1ccc(C(=O)NCCOc2cc(C)ccc2C)cc1C 224045833 XEKUJQFQCWMZTJ-UHFFFAOYSA-N 313.397 3.429 0 40 DGAB CC(C)(COCc1ccccc1)C(=O)N1CCc2cnccc21 225702113 VCRORPNJXZVVJG-UHFFFAOYSA-N 310.397 3.214 0 40 DGAB Cc1ccc2c(CN3C[C@H](C)O[C@@H](C)C3)cc(=O)oc2c1C 21555040 FCSCBOIQNBCQPX-STQMWFEESA-N 301.386 3.019 0 40 DGAB biogenic CN1CC[C@H](Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1=O 96437253 FJIJLOAEDRVLSF-AWEZNQCLSA-N 317.776 3.170 0 40 DGAB CCc1csc(NC(=O)N[C@H](COC)c2ccc(C)o2)n1 96446021 FKNVNSBKHRRBJX-LLVKDONJSA-N 309.391 3.116 0 40 DGAB COc1ccc(COCCN2CCC(c3ncco3)CC2)cc1 585138154 RWOOZRBOQIJTDA-UHFFFAOYSA-N 316.401 3.079 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(Cc3scnc3C)C2)c1 257231369 GGKGVTLINALTOD-ZDUSSCGKSA-N 302.447 3.186 0 40 DGAB CSc1ccccc1CC(=O)NC1CC(C)(C)NC(C)(C)C1 390832988 AESMSNNQESXUHY-UHFFFAOYSA-N 320.502 3.376 0 40 DGAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)Cc2cccs2)C1 56168240 VYHWMLKFAZQURS-ZBFHGGJFSA-N 314.454 3.242 0 40 DGAB Cc1noc([C@H](C)SCc2nnc(-c3ccccc3)n2C)n1 91028670 TXSKAFFPGYWHFN-JTQLQIEISA-N 315.402 3.168 0 40 DGAB Cc1ccccc1N1CCN(c2nc(C3CC3)ns2)CC1 301557049 HNVQQDRUDFKUPC-UHFFFAOYSA-N 300.431 3.051 0 40 DGAB CCCCc1nnc(NC(=O)c2cc(OC)cc(OC)c2)s1 5608153 AUCWOUZCMYNEOV-UHFFFAOYSA-N 321.402 3.150 0 40 DGAB c1ccc(C2=NN(CNc3ncn[nH]3)[C@H](c3ccccc3)C2)cc1 5666197 MCNXNIDDSWPSIY-KRWDZBQOSA-N 318.384 3.025 0 40 DGAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)c1cnccn1 12143268 MBZGCMPTOZYSCG-AWEZNQCLSA-N 309.369 3.043 0 40 DGAB O=C(Cn1ccccc1=O)Nc1ccc(Nc2ccccc2)cc1 12729305 CCTGVNGXVICIFT-UHFFFAOYSA-N 319.364 3.231 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(C[C@H]2CCOC2)C1 1848735256 CNJQYQSLFGQAGH-CQSZACIVSA-N 313.445 3.227 0 40 DGAB CN1CCN(C(=O)c2cccc(Cl)c2)[C@H](c2ccccc2)C1 30028979 ICTAGYGJNXRUEX-KRWDZBQOSA-N 314.816 3.469 0 40 DGAB C[C@@H](c1ccccc1)N1CCC(Oc2ncc(F)cn2)CC1 1776008265 AWHYCCGCZKVWOZ-ZDUSSCGKSA-N 301.365 3.220 0 40 DGAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 10328874 LWNLMCFXYHVUEK-GOSISDBHSA-N 314.404 3.096 0 40 DGAB CN1CCCc2cc(CCNC(=O)CCc3ccccc3)ccc21 11027648 BCZXIBIVXRHTMW-UHFFFAOYSA-N 322.452 3.361 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2ccccc2Cl)CC1 1004020737 KRJMPDMMUHDYBI-UHFFFAOYSA-N 308.853 3.467 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)O)N2CCCCC2)cc1 31477 AJNRPWSMHSXNTB-INIZCTEOSA-N 317.429 3.496 0 40 DGAB Cc1cn(CC(=O)Nc2nnc(C(F)F)s2)c2ccccc12 50345620 GHWKCAPKIHGFBO-UHFFFAOYSA-N 322.340 3.378 0 40 DGAB C[C@@H](Nc1ccc2nnc(C(F)(F)F)n2n1)c1cccs1 40480126 FPRBDCOATDSZOJ-SSDOTTSWSA-N 313.308 3.378 0 40 DGAB CCc1cc2c(=O)n(Cc3csc(CC)n3)cnc2s1 31757607 XEICYULAJWGQRV-UHFFFAOYSA-N 305.428 3.088 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccc(N2CCCCC2)c2nonc12 32578968 RUQDPBXSMCMKTD-LLVKDONJSA-N 317.393 3.133 0 40 DGAB C[C@@H]1CCCN(C(=O)C2CCN(C[C@H]3CC=CCC3)CC2)C1 317619 OLJQKWVTWYSZGV-SJORKVTESA-N 304.478 3.313 0 40 DGAB Cc1nc(-c2ccc(OCc3nc(C(C)C)no3)cc2)no1 46030274 YQIOPTZTIOQEHN-UHFFFAOYSA-N 300.318 3.130 0 40 DGAB Cc1noc(C)c1COc1cccc(C(=O)NC(C)(C)C)c1 2648724 UCQIKPKZZVEBNO-UHFFFAOYSA-N 302.374 3.399 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102227313 VMCHLGWSINPFOR-JUFZMCDQSA-N 313.850 3.443 0 40 DGAB COC(=O)c1cc(C)c2c3ccccc3n(C)c2c1C(=O)OC 1709028 ZFKTYVBARNMMEG-UHFFFAOYSA-N 311.337 3.213 0 40 DGAB COc1cccc(-c2cc(C(F)(F)F)nc(-n3ccnc3)n2)c1 2466137 YXXOGDLNAHGAHU-UHFFFAOYSA-N 320.274 3.357 0 40 DGAB O=C(Nc1ccccc1Cl)c1ccc(Cn2cccn2)o1 2762649 AIIIEILPJIXWRA-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cc(F)ccc1F)S[C@H](C)C(=O)N2 6678428 TVKAVLHLAFALOA-JMCQJSRRSA-N 309.341 3.160 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 7308791 UBBQEDUCJVVOPH-QGZVFWFLSA-N 319.426 3.433 0 40 DGAB Cc1cc(C)n(NC(=O)c2ccc(Cl)cc2Cl)c(=O)c1 2798099 KSVOKJCKDAKHSF-UHFFFAOYSA-N 311.168 3.156 0 40 DGAB CCOc1ccc2[nH]c3c(NC[C@@H]4CCCO4)ncnc3c2c1 543834 LVSZAHVZCAZHBH-LBPRGKRZSA-N 312.373 3.101 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)[C@H](C)Oc1ccccc1 55693342 JLVRZIUNLMBPIX-HOTGVXAUSA-N 313.397 3.346 0 40 DGAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 23038737 JIZJOETYPVTXND-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB Cc1nc2ccccc2n1CC(=O)NCC[C@@H]1C[C@H]2CC[C@H]1C2 107491262 ZVYGPWPFKXMAPV-HRCADAONSA-N 311.429 3.287 0 40 DGAB COC(=O)Nc1cccc(NC(=O)N(C)Cc2ccco2)c1 47711072 JJUNNDVVVIKFHB-UHFFFAOYSA-N 303.318 3.122 0 40 DGAB CCOC(=O)CCN(C(=O)Nc1ccc(Cl)cc1)C1CC1 58154954 KWKNNJQJNSBCAD-UHFFFAOYSA-N 310.781 3.290 0 40 DGAB CCc1c(C)nn2c(O)cc(-c3cc(C(C)(C)C)nn3C)nc12 100775779 CVEYXOYKWAFLCE-UHFFFAOYSA-N 313.405 3.004 0 40 DGAB Cc1cnc2c(S(=O)(=O)N3CCCC[C@@H]3C)cccc2c1 12526569 KFXWBAFJEKYRCO-ZDUSSCGKSA-N 304.415 3.106 0 40 DGAB CCCCc1ccc(NC(=O)COC(=O)c2ccco2)cc1 3238833 QXVMKZAIKDBITH-UHFFFAOYSA-N 301.342 3.418 0 40 DGAB CCc1nn(C)cc1CNc1ccc(C(=O)NC(C)C)c(C)c1 97050981 SYAVLIWNQDXBSV-UHFFFAOYSA-N 314.433 3.041 0 40 DGAB C[C@H]1CCc2c(C(=O)NCCc3ccccn3)csc2C1 12635134 IWICOQGLCZNVAB-LBPRGKRZSA-N 300.427 3.240 0 40 DGAB CCc1ccc2oc(-c3ccccc3)c(OCC(=O)O)c(=O)c2c1 1987537 OXOKOJSRGHHKHL-UHFFFAOYSA-N 324.332 3.486 0 40 DGAB CCC[C@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 48252458 WEBIAGUPLVJZKP-NHYWBVRUSA-N 310.825 3.212 0 40 DGAB COc1ccc(OCCCC(=O)N[C@@H](C)c2ccncc2)cc1 27405128 YRCNZKMYEDZMPJ-AWEZNQCLSA-N 314.385 3.127 0 40 DGAB CCSCCC(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 58194310 WQKHBUYLAAZPHE-LBPRGKRZSA-N 303.431 3.397 0 40 DGAB c1csc(-c2nnc(COc3ccc4c(c3)OCO4)o2)c1 3368621 OYWLLJQPZPCDEH-UHFFFAOYSA-N 302.311 3.106 0 40 DGAB C[C@@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc(Cl)s1 44955099 XWJQJRUBCUYBMS-VHSXEESVSA-N 312.826 3.047 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccccc1F 3394434 BGVGGMWYYQVZQE-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)C[C@H]1C(=O)Nc2ccccc21 58357478 OLSRFCGVXRZSFQ-IUODEOHRSA-N 306.365 3.090 0 40 DGAB Cc1ccc(O)c(C(=O)Nc2cc(F)c(N(C)C)c(F)c2)c1 58378063 IVQJEVFUYCWCEK-UHFFFAOYSA-N 306.312 3.297 0 40 DGAB C[C@H](Nc1ccc2[nH]c(=O)[nH]c2c1)c1nnc(-c2ccccc2)o1 29456720 JUHSXCMABNHVDB-JTQLQIEISA-N 321.340 3.079 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCC2CCCCC2)cc1C 3443528 OVJPSWMZYULAQM-UHFFFAOYSA-N 303.402 3.157 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1 3405106 GBXOADABAMOORC-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB COc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12995049 DXZZVGXFSXAKAK-IBGZPJMESA-N 324.424 3.147 0 40 DGAB CCc1nnc(NC(=O)Cc2ccc3c(c2)CCCC3)s1 13002880 GFQNSXFEDHJYFF-UHFFFAOYSA-N 301.415 3.161 0 40 DGAB O=C(O)C[C@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 13175824 IDRSQNRIKMTWKX-JSGCOSHPSA-N 307.777 3.328 0 40 DGAB Cc1cc(C)c(CNc2ncnc3sc(C)c(C)c23)c(=O)[nH]1 8375096 MXRPLMVPIRWMEI-UHFFFAOYSA-N 314.414 3.225 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2c[nH]nc2-c2ccccc2)c1 69453448 MTYWYQPPLLJYOD-LSDHHAIUSA-N 309.417 3.321 0 40 DGAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(C)c1 14084343 PZYIMNOSWTYRMY-UHFFFAOYSA-N 306.365 3.450 0 40 DGAB CCO[C@@H](C)C(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 65626853 QLKRMLBCPNIESC-GUYCJALGSA-N 316.376 3.194 0 40 DGAB NC(=O)c1ccccc1OCc1ccc(F)cc1Br 8726485 PKDJXEWJGPWXNI-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB COc1ccc(NC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811234 DANDXYRBCDGSOL-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB C[C@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1ccccc1 15480250 YYFDTTFFJBOZHK-JKSUJKDBSA-N 308.425 3.311 0 40 DGAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCc2ccccc2C1 15627436 GNMHFLUIGXBGKO-KRWDZBQOSA-N 313.784 3.228 0 40 DGAB Cn1cc(-c2cc(C(F)(F)F)c3c(C4CC4)nn(C)c3n2)cn1 8782463 AHEYWQAHJLQEHE-UHFFFAOYSA-N 321.306 3.265 0 40 DGAB CCCOc1cccc(CCN[C@@H]2CCCc3c2cnn3C)c1 90577547 ZYMSACBWSHKCBZ-GOSISDBHSA-N 313.445 3.419 0 40 DGAB CC(C)CCC(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 15999341 YQYNFEAHZFQBQC-UHFFFAOYSA-N 305.346 3.058 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 70755433 ATXZDRAFUYLUMA-KOLCDFICSA-N 300.383 3.109 0 40 DGAB O=C(c1cc(=O)c2cc(Cl)ccc2o1)N1CCCCCC1 7912632 ONGHGBWPRXFZDW-UHFFFAOYSA-N 305.761 3.463 0 40 DGAB C[C@H]1CCC[C@H](Cn2c(CS(C)(=O)=O)nc3ccccc32)C1 96005595 MFPDTEDPALZHKV-KBPBESRZSA-N 320.458 3.407 0 40 DGAB CCn1ccnc1/C=C/C(=O)O[C@@H](C)c1cccc(OC)c1 96006869 IHCLAOJNNFAFOC-XEHSLEBBSA-N 300.358 3.229 0 40 DGAB CC(C)(C)C1CCC(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 72272362 LQBFYJITQPSICM-UYSNPLJNSA-N 318.465 3.294 0 40 DGAB O=C(NCCC[C@H]1CCCCO1)N[C@@H]1CCc2ccccc21 97137947 MWIUEGSBKMSHQE-NVXWUHKLSA-N 302.418 3.322 0 40 DGAB C[C@H]1CN(c2nc(C(F)(F)F)nc3ccccc23)C[C@H](C)O1 9535205 DZQKIMHWWJRWQV-UWVGGRQHSA-N 311.307 3.262 0 40 DGAB Cc1cc(C)cc([C@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)c1 71885955 KDKUHZMSMKNIGG-UONOGXRCSA-N 314.433 3.467 0 40 DGAB Cc1ccccc1[C@H](NC(=O)Cc1c(C)nn(C)c1C)C(C)C 71899828 UTZYJBZLJPFLOC-LJQANCHMSA-N 313.445 3.401 0 40 DGAB O=c1n(Cc2sc3ccccc3c2Cl)nc2ccccn12 71875474 YIFCNMHLVAJCJS-UHFFFAOYSA-N 315.785 3.412 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)Cc1cccc2ccccc12 408566198 FDKCPNOJRBEECE-UHFFFAOYSA-N 306.365 3.383 0 40 DGAB CC(C)c1cnc(CN2CCC[C@@H]2c2noc(C3CC3)n2)o1 72300069 QPGMBXOWGJGRRD-GFCCVEGCSA-N 302.378 3.396 0 40 DGAB COC(=O)c1ncccc1OCc1ccccc1OC(F)F 83891560 BHBJOSGYSYIVEN-UHFFFAOYSA-N 309.268 3.049 0 40 DGAB COc1ccc(CN2CCn3c(-c4ccco4)cnc3C2)cc1 306129623 IIMFWYHEJFAGPZ-UHFFFAOYSA-N 309.369 3.168 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)[C@H]1CC(=O)N(c2ccccc2)C1 72401016 GWHWZOSFCMFBJC-ZDUSSCGKSA-N 319.364 3.160 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NC(=O)CC1CCCC1 79018893 GPTNEKJEKIEKGX-UHFFFAOYSA-N 318.417 3.306 0 40 DGAB C[C@](CO)(NC(=O)Nc1cc(-c2ccco2)ccc1F)C1CC1 84640184 WHLMCQVZYDPMQV-QGZVFWFLSA-N 318.348 3.368 0 40 DGAB CC(C)c1nc(CN[C@H](C)c2nnc3n2CCCC3)cs1 84631011 KFRWQFPLXZDGAX-LLVKDONJSA-N 305.451 3.045 0 40 DGAB Cc1ccoc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449206 IDHKWPRRUUIZOS-HUUCEWRRSA-N 320.339 3.041 0 40 DGAB Cc1nc(C)c(C(=O)NC2(c3ccc(F)cc3F)CCC2)o1 95447550 IJCTWSGVNFPILJ-UHFFFAOYSA-N 306.312 3.379 0 40 DGAB C[C@H](N[C@@H]1CCc2c(F)cccc21)c1ccc(-n2cnnn2)cc1 95421147 PECKWAPXQZQAJY-KPZWWZAWSA-N 323.375 3.140 0 40 DGAB CC(C)CC[C@@H]1CCCCN1C(=O)[C@H]1CCn2ccnc2C1 95431906 HLFHVKUQLRNXRK-HOTGVXAUSA-N 303.450 3.263 0 40 DGAB CCCc1nnc(SCC(=O)Nc2cccc(C)c2)n1CC 20033945 MVFZKIWEYFIZIS-UHFFFAOYSA-N 318.446 3.290 0 40 DGAB CCn1nc(C)c2c(C(=O)N3C[C@H](C)C[C@@H](C)C3)cc(C)nc21 28222226 OOLHNIPNYHCDLG-VXGBXAGGSA-N 314.433 3.186 0 40 DGAB COc1ccc(N)cc1NC(=O)c1ccc(Br)cc1 21956331 KXZYHUMVBLLTAD-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB C[C@H](NCc1nnc2n1CCCC2)c1cnc2ccsc2c1 183843087 ZVORHMKMBIPYFE-NSHDSACASA-N 313.430 3.075 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1CC1CCCC1 1557294936 LLZFCHXQPALOOT-HNNXBMFYSA-N 312.417 3.003 0 40 DGAB O=C(O)c1ccc(Cl)c(CN2CC[C@H](c3cccnc3)C2)c1 520240255 PVHUVFALFLLZOO-AWEZNQCLSA-N 316.788 3.423 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2ccc(F)cc2)C1=O 36635501 IXJINEMNLSQYPJ-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CC(C)(C)OC(=O)NCc1ccc(CC(C)(C)C(=O)O)cc1 1535645848 OGXURWSVDJBCOG-UHFFFAOYSA-N 307.390 3.365 0 40 DGAB Cc1ccc(-n2nnc(-c3nc(C)c(C(=O)O)s3)c2C)cc1 71328548 CBINOGFKHXPLEF-UHFFFAOYSA-N 314.370 3.014 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1ccncc1Cl)C[C@@H](C)O2 73121369 KDNHFUPFAXKXRK-SNVBAGLBSA-N 318.760 3.171 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 30850962 MSAPFZYKKAZYBW-KBPBESRZSA-N 311.381 3.440 0 40 DGAB Cc1cc(C)nc(NC(=O)c2c(-c3ccccc3)noc2C)n1 35655074 JUPRBGTUJUERSD-UHFFFAOYSA-N 308.341 3.309 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1cccc(C)c1 38753092 NAPCJQWHCMCBDO-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB NC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2Cl)cc1 71761725 HUWFTICHVUBQLU-UHFFFAOYSA-N 323.780 3.387 0 40 DGAB Cc1cccc2[nH]cc(S[C@H](CC(C)C)C(=O)NCCO)c12 43197820 FTNIWEHRMFLJKE-CQSZACIVSA-N 320.458 3.092 0 40 DGAB in-vitro CC1(C)Oc2ccc(NC(=O)CCc3ccccc3)cc2NC1=O 46088463 TWEXFQYDLOWBIP-UHFFFAOYSA-N 324.380 3.367 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1ccsc1)c1cc(OCC(F)F)ccn1 530000869 LGZZLYZGJCVOST-NWDGAFQWSA-N 324.352 3.073 0 40 DGAB CCCNC(=O)c1ccc(Nc2cccc(C(C)=O)c2)c(N)c1 225435733 ISWWAJKWZWSQOT-UHFFFAOYSA-N 311.385 3.355 0 40 DGAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2C)c1 224414038 HOKOKSFGBRKTGU-INIZCTEOSA-N 313.397 3.266 0 40 DGAB Cc1ccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)nc1 225455382 NNRHCELUMONXAX-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB Cc1nc(CN2CCC3(C2)CN(Cc2ccsc2)C3)cs1 96202524 RSXQRHQQQFJADS-UHFFFAOYSA-N 319.499 3.221 0 40 DGAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 192943817 QKMRDUFFNBHBPC-UWVGGRQHSA-N 314.332 3.333 0 40 DGAB CC(C)C(=O)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261342 PWINVBRJGDTPTC-ZWKOTPCHSA-N 301.430 3.281 0 40 DGAB O=C(c1cnc2ccccc2n1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 618257018 PDAYMRBXERMTAW-GJZGRUSLSA-N 305.381 3.487 0 40 DGAB C[C@H](CNC(=O)N(c1ccccc1)c1ccccc1)[S@](C)=O 96501226 VUSUAZFIXFRPOF-JLCFBVMHSA-N 316.426 3.301 0 40 DGAB COC[C@@H]1COCCC12CCN(C(=O)CC1=CCCCC1)CC2 96106344 GSLFIOHUHJWGGJ-QGZVFWFLSA-N 321.461 3.169 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)N1CCC(OCC2CC2)CC1 96439359 PMDOIHMCICHLFJ-CYBMUJFWSA-N 322.474 3.280 0 40 DGAB Cc1nc(C(=O)Nc2cnn(C)c2)c(Cc2ccccc2)s1 95474549 GEMCGEPSJDEXGC-UHFFFAOYSA-N 312.398 3.028 0 40 DGAB CC(=O)NCc1ccc(C(=O)Oc2cc(Cl)ccc2C)o1 96442842 MBXODEGASUATKT-UHFFFAOYSA-N 307.733 3.097 0 40 DGAB CC[C@@H]([C@@H](N)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96524974 XEEZPNJADUHREE-RYUDHWBXSA-N 310.246 3.207 0 40 DGAB Cc1nc([C@H]2CCN(C(=O)c3ccccc3)C2)c2sccn12 257265897 MATWJNHEETUXDZ-AWEZNQCLSA-N 311.410 3.334 0 40 DGAB Cc1c[nH]c([C@H]2COCCN2Cc2cccc3ccccc23)n1 257240308 HSYYVQXORMXFBK-GOSISDBHSA-N 307.397 3.445 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)CCc2cccs2)C1 257292516 QLXMEJIJMDQDDO-AWEZNQCLSA-N 317.458 3.194 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCSC(C)(C)CC2)c1C 279259994 IDODQZRYMCYILK-UHFFFAOYSA-N 308.447 3.192 0 40 DGAB O=C(/C=C/c1ccc[nH]1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 287740333 GPWFWXJZETXTKA-UMPVYUTHSA-N 322.408 3.059 0 40 DGAB Cc1ccc(SCC(=O)NCCc2c(F)cccc2F)nc1 53828277 KGHPTXKHJXEULW-UHFFFAOYSA-N 322.380 3.119 0 40 DGAB CCn1nc(C)c(NC(=O)N[C@H]2CCc3c(O)cccc32)c1C 89477630 HCBGQCVZKZIOGT-AWEZNQCLSA-N 314.389 3.034 0 40 DGAB Cn1c(CN(C[C@H]2CCOC2)C2CC2)nc2cc(Cl)ccc21 97490653 XKIIMRVKJNVTBA-GFCCVEGCSA-N 319.836 3.228 0 40 DGAB C[C@@H](CSC(C)(C)C)NCc1ccc(S(C)(=O)=O)cc1 97228289 HRMDBJLUGLEKPA-LBPRGKRZSA-N 315.504 3.100 0 40 DGAB Cc1ccsc1CN1CCC(c2cc(C(=O)O)on2)CC1 1600608458 COKWASQKDPMQJT-UHFFFAOYSA-N 306.387 3.122 0 40 DGAB O=C(Cc1ccccc1)Nc1cccn(Cc2ccccc2)c1=O 5000844 FFPJHUYBGHPMCX-UHFFFAOYSA-N 318.376 3.078 0 40 DGAB COC(=O)c1cccc(NC(=O)COc2ccc(C)cc2C)c1 5698198 UBVBLGGVNITLJD-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2ccc(F)cc2)n1 12133681 CWTHWWGCZUEGDA-INIZCTEOSA-N 301.365 3.317 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)ccn1 1776001119 ZPHOHNOMALVVQB-OAHLLOKOSA-N 324.428 3.353 0 40 DGAB Cc1ccc(NC(=O)Cn2c(=O)oc3ccccc32)cc1Cl 2927518 MNEBYFLXETUKEM-UHFFFAOYSA-N 316.744 3.195 0 40 DGAB Cc1ccc(C)c(CSc2nc(=O)n3cccc(C)c3n2)c1 4504128 CYJBIRJORIJKRT-UHFFFAOYSA-N 311.410 3.307 0 40 DGAB O=c1c(C2OCC3(CO2)C[C@@H]2C=C[C@H]3C2)coc2ccccc12 4788790 RUCWEYBMCQHPJC-UIBBSWIJSA-N 310.349 3.421 0 40 DGAB CC(=O)Nc1nc(CC(=O)Nc2cccc(Cl)c2C)cs1 16991363 TYSGJYFUOBSWHD-UHFFFAOYSA-N 323.805 3.245 0 40 DGAB CN(C)CCN(C(=O)C1CCC1)c1nc2ccc(F)cc2s1 36642404 YZPKNPSTZTWURA-UHFFFAOYSA-N 321.421 3.130 0 40 DGAB Cc1cnc(N2CCC[C@@H](COc3ncccc3Cl)C2)nc1 2298187869 MFPWIJLPCUHJRT-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB CCOC(=O)c1c(NC(=O)C(C)(C)C)sc(C(C)=O)c1C 45190 KWVPFZGFADNIEE-UHFFFAOYSA-N 311.403 3.420 0 40 DGAB C[C@H](Nc1ncnc2c1cnn2C)c1ccc(OC(F)F)cc1 40497156 FPSZUBFJHGHTMF-VIFPVBQESA-N 319.315 3.138 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(N2CCCCC2)nc1 20374149 CKBKIOXSANPNCL-UHFFFAOYSA-N 311.385 3.089 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1 40525396 XPVCOAPOHSNXHP-MRXNPFEDSA-N 318.348 3.080 0 40 DGAB CCOc1cccc(NC(=O)c2cccc(OC)c2OC)c1 383692 QKZVPENQYGPNJH-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB Clc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nnnc3N2)cc1 113688 JEFUWWLIRCCMCZ-GJZGRUSLSA-N 311.776 3.473 0 40 DGAB CCc1cccc(CC)c1NC(=O)C(=O)NCCc1ccccc1 3080508 DKQHDJKFSMAMGR-UHFFFAOYSA-N 324.424 3.109 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1Cl 3507166 DIPJKMDKCPCACH-BXUZGUMPSA-N 309.793 3.192 0 40 DGAB CC(C)C[C@@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O 3865920 ONJZZZIKEQLSBC-GNFNDJEDSA-N 307.434 3.208 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)CCc1c(C)noc1C 46402755 HUELFIGCOVHKAH-JTQLQIEISA-N 320.364 3.249 0 40 DGAB CCOc1ccc(NC(=O)[C@H](C)Sc2cc(C)ncn2)cc1 12017015 ZQGKDTVJPNBTTM-LBPRGKRZSA-N 317.414 3.303 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)n[nH]1 84110353 WHJSAYHAUMXDNA-OAHLLOKOSA-N 301.434 3.250 0 40 DGAB CC(C)COCCCNC(=O)Nc1cccc(N2CCCC2)c1 58051546 CWTDERBOSVGPJO-UHFFFAOYSA-N 319.449 3.471 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)CCc2cccc(Cl)c2)cc1 41466960 BPRKQYYGYRCMSG-KRWDZBQOSA-N 317.816 3.431 0 40 DGAB COc1cc2cc(C=O)c(Cl)nc2cc1Br 41511350 MEYFLVIFIODAFY-UHFFFAOYSA-N 300.539 3.472 0 40 DGAB O=C(CSc1nc(C2CC2)nc2ccccc12)N1CCCC1 10939759 FPILUIMPKAPRKR-UHFFFAOYSA-N 313.426 3.222 0 40 DGAB Cc1ccc(CN2CCSCC2)cc1NC(=O)c1ccc[nH]1 69702918 LKEUDHIJHVAPFJ-UHFFFAOYSA-N 315.442 3.124 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(F)cc1F 12321003 WBRYHRZJDCEOGD-OAHLLOKOSA-N 321.279 3.263 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)cc1C 9232173 DOLDQPFKPQFDPY-HNNXBMFYSA-N 314.429 3.105 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccsc1)N(C)C 23133411 OOMJFMXGJZTDBJ-ZDUSSCGKSA-N 321.446 3.201 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](CN2CCCCC2)C1 106162433 GOTJOLZEEHRFEL-XWTMOSNGSA-N 304.478 3.147 0 40 DGAB COc1ccc(F)cc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24889976 PWIFGFUYQHMHHT-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB Cc1cnn(CC(=O)N[C@H](c2cccs2)C2CCCC2)c1 55364247 DPLVOYCFMPMNAT-INIZCTEOSA-N 303.431 3.301 0 40 DGAB Cc1n[nH]cc1CNCc1cccc(CN2CCC(C)CC2)c1 78553271 RUZLTDZQEPKPSU-UHFFFAOYSA-N 312.461 3.240 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1 27986929 USMVCGZWEZGAGN-PIGZYNQJSA-N 313.328 3.037 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)cc1 101275962 XBWWBPYGYSGSQY-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB COc1cc(CC(=O)N[C@H](C)c2nc3ccccc3[nH]2)ccc1C 12538603 PYDSMIRYOXUHKN-CYBMUJFWSA-N 323.396 3.300 0 40 DGAB Cc1c(C(=O)NCCc2ccccc2)[nH]c2c1C(=O)CC(C)(C)C2 25464486 PGAQANKABIWVEU-UHFFFAOYSA-N 324.424 3.451 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@H](O)C(F)(F)F 62152191 GMFMLQKDFXFOAF-RYUDHWBXSA-N 319.323 3.046 0 40 DGAB Cc1ccc(CCC2CCN(C(=O)c3ccc[n+]([O-])c3)CC2)cc1 10960623 IDVUFZSFEDXBEP-UHFFFAOYSA-N 324.424 3.113 0 40 DGAB O=c1[nH]c2ccccc2n1CCCOc1ccc(Cl)cc1 2479381 OEWPPDXZTNGASI-UHFFFAOYSA-N 302.761 3.452 0 40 DGAB O=C(NCc1ccccc1)Nc1cccc(CN2CCCC2=O)c1 28989359 FBRQOQAYBJVQNL-UHFFFAOYSA-N 323.396 3.131 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)CCCC2)c1nnc2ccccn12 48374308 HPFFFVFJWMKWKW-ZDUSSCGKSA-N 320.396 3.099 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC(C3CC3)C3CC3)c12 29384165 ANLFBRAXAXUQMW-UHFFFAOYSA-N 324.428 3.073 0 40 DGAB Cc1cnc2c(S(=O)(=O)NC(C3CC3)C3CC3)cccc2c1 29383817 ZAMMGKDPDIWHLG-UHFFFAOYSA-N 316.426 3.010 0 40 DGAB COc1cc(NC(=O)c2ccc(C)s2)cc(OC)c1OC 3426932 VKZKVCOJXLNYPO-UHFFFAOYSA-N 307.371 3.335 0 40 DGAB c1csc(-c2nc(CN3CCC[C@@H]3Cn3cccn3)co2)c1 69926578 XIRSDXMUAUZWAO-CQSZACIVSA-N 314.414 3.264 0 40 DGAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C(C)=O)cc1 3510667 IQJSWAUGNFHTJN-UHFFFAOYSA-N 313.353 3.224 0 40 DGAB Cc1ccc(OC(=O)c2cnc(OC(C)C)c(Cl)c2)cn1 64822805 MVZFAYFXUUNGQB-UHFFFAOYSA-N 306.749 3.445 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)c1 71793289 CSMQXTFRIGRAMT-PKOBYXMFSA-N 323.392 3.362 0 40 DGAB CCN(CC)C(=O)[C@@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 71794635 OHGZFMWPKLVNIL-GFCCVEGCSA-N 318.446 3.129 0 40 DGAB O[C@H](CSCc1noc(-c2ccco2)n1)c1ccccc1 65477642 HPFYUJDMVPIOMU-GFCCVEGCSA-N 302.355 3.296 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@H](C)c1ccc(F)cc1 14054245 DABDQAZICDDNCV-GFCCVEGCSA-N 324.355 3.130 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951234 LKLAZQTUPPBQSF-BQGCOEIASA-N 303.402 3.157 0 40 DGAB CCSc1nnc(NC(=O)/C=C/c2cccc(F)c2)s1 5443197 HFQYBWDGALOYIA-VOTSOKGWSA-N 309.391 3.441 0 40 DGAB O=C(OCC(=O)N1CCCCC1)c1c(Cl)cccc1Cl 5559209 FZYLJEVYVQVEFN-UHFFFAOYSA-N 316.184 3.163 0 40 DGAB COc1cc(Cl)c2[nH]c(-c3ccc(OC)c(N)c3)nc2c1 216917938 MJMCLAGKXXOTTG-UHFFFAOYSA-N 303.749 3.483 0 40 DGAB O=C(Nc1nc(-c2ccncc2)cs1)c1n[nH]c2ccccc12 7138565 VDGLYVQSGIXDEM-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB CCOc1ccc(N[C@@H](C)C(=O)Nc2nc(C)cs2)cc1 7460415 PYQCCQSRLOIATJ-NSHDSACASA-N 305.403 3.289 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2cccs2)c1C 7550281 OSLHBANXWRRDFG-LLVKDONJSA-N 319.382 3.324 0 40 DGAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2cccnc2)no1 96001232 BMFWRJNETLYISW-CQSZACIVSA-N 314.389 3.346 0 40 DGAB COc1ccc(C(=O)OCc2ccc(F)cc2)c(OC)c1OC 7989919 MJRCYMQERKGMJP-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB C[C@H]1CC=CC[C@H]1COC(=O)CCn1c(=O)oc2ccccc21 70039317 BRAWSDVIAHMFOE-KBPBESRZSA-N 315.369 3.130 0 40 DGAB COc1ccc([C@H]2C[C@H]2C(=O)N(Cc2cccnc2)C2CC2)cc1 69375867 KGMPNMWHRPVIMD-RTBURBONSA-N 322.408 3.385 0 40 DGAB C[C@H](NC(=O)N1CCC[C@@H]1CN1CCCC1)c1ccc(F)cc1 69386088 TUHBCZHAOBBSJB-WMLDXEAASA-N 319.424 3.157 0 40 DGAB CN(C)C(=O)CCCCSc1nccn1-c1cccc(F)c1 71893929 OZALLKMCCHCZRF-UHFFFAOYSA-N 321.421 3.362 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c1 72282954 VOSWFQHLRJJTBL-YESZJQIVSA-N 309.413 3.228 0 40 DGAB CCCOc1cccc(C(=O)NCCc2csc(C)n2)c1 27988738 CYDVWHDVSSFSJN-UHFFFAOYSA-N 304.415 3.213 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H](C)Nc2cnn(CC(F)F)c2)c1 97140061 DIULQRGNFYNFFA-GFCCVEGCSA-N 322.359 3.204 0 40 DGAB C[C@H](NCc1noc(C2CC2)n1)c1ncc(-c2ccccc2)o1 97112305 WMOWTAQPQCPSAW-NSHDSACASA-N 310.357 3.453 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@@H](C)N[C@@H](C)c2ccco2)cc1 97375014 VFVXYQYEVYPOKZ-KGLIPLIRSA-N 307.415 3.101 0 40 DGAB Cc1cccc(C)c1OC[C@H](NC(=O)[C@@H]1CCCO1)C(C)(C)C 79094097 OMECADIBVGQLHL-HOTGVXAUSA-N 319.445 3.392 0 40 DGAB Cn1c(=O)oc2cc(NCc3cnc(C(C)(C)C)s3)ccc21 95428952 YHMNGQHKAWOWLX-UHFFFAOYSA-N 317.414 3.498 0 40 DGAB CC[C@H](NCCCc1cn[nH]c1C)c1ccc2c(c1)OCCO2 95420032 CFDNMZZRROVSCA-INIZCTEOSA-N 315.417 3.163 0 40 DGAB CC(=O)c1csc(C(=O)N[C@H](C)C[C@@H](O)c2ccccc2)c1 95417794 XEFVWLDRCDQEGP-IAQYHMDHSA-N 317.410 3.193 0 40 DGAB COc1ccccc1NC(=O)c1cccc(-c2n[nH]c(C)n2)c1 95960888 NUPPNDRSPHSUIM-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccccc1 95970085 AEJKAZXKFSWLPU-UHFFFAOYSA-N 319.307 3.082 0 40 DGAB Cc1cccc2c1[C@H](C)C[C@@H]2NC[C@H](CO)Cc1ccccn1 95982186 IYDIFYRXURUYNQ-MDZRGWNJSA-N 310.441 3.379 0 40 DGAB OCCOc1ccccc1OCCOc1ccccc1Cl 89814502 UHEMVFSGUSMGJL-UHFFFAOYSA-N 308.761 3.169 0 40 DGAB CC(C)c1n[nH]c(=S)n1CCNC(=O)[C@H](C)c1cccs1 75400745 JEKOVAFCFLISSA-SNVBAGLBSA-N 324.475 3.045 0 40 DGAB Cc1nc(C)n(CC(=O)Nc2ccc(-c3ccccc3)cc2)n1 75572337 RUNNLNIFKLXVFG-UHFFFAOYSA-N 306.369 3.201 0 40 DGAB Cc1nc2cc(NC(=O)N(CCO)c3ccccc3)ccc2o1 409145725 RIIHAQWTVKROCM-UHFFFAOYSA-N 311.341 3.167 0 40 DGAB COc1ccc(F)cc1CC(=O)N[C@@H](c1cccnc1)C1CC1 548164428 PNQQRIWYKVXQCO-GOSISDBHSA-N 314.360 3.039 0 40 DGAB Cc1cccc([C@H](C)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 507213847 PPAFXYMMINFDJR-WMZOPIPTSA-N 315.461 3.326 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)c1 408708628 RSQTVHDRVGXTKM-BFYDXBDKSA-N 314.429 3.043 0 40 DGAB CC(C)(C)SCCNC(=O)COc1ccccc1Cl 66739277 YIZZPLFOMZKWJO-UHFFFAOYSA-N 301.839 3.367 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)Cc1ccccc1C 32884851 NPUUQGIYVYLLJT-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3cccc(OC)c3)C2=O)cc1 36635575 RTNWYCJZTWPTSA-KRWDZBQOSA-N 324.380 3.002 0 40 DGAB Cc1noc(CNc2ccc(C(=O)OC3CCCC3)cc2)n1 79944734 NEGXBDHTQIWZQS-UHFFFAOYSA-N 301.346 3.090 0 40 DGAB OCC[C@@H]1CCCCN1Cc1ccc(Br)cc1F 42223536 BYIYIGJMDKAXJH-ZDUSSCGKSA-N 316.214 3.325 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNc1ccc(CNS(C)(=O)=O)cc1 182631625 VNNIUCCBCWDRJV-YOEHRIQHSA-N 322.474 3.140 0 40 DGAB O=C(Nc1ccccc1)C(=O)Nc1ccccc1Br 132097810 PCLFJPHSHVZOGJ-UHFFFAOYSA-N 319.158 3.026 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](Sc1ncccc1C(=O)O)C2=O 221885443 KLGUXBXVONFYAQ-PKWAYOAASA-N 305.399 3.266 0 40 DGAB CCCCO[C@H](Cc1cccc(Br)c1)C(=O)O 225064751 OWKUQDKBQIBICO-GFCCVEGCSA-N 301.180 3.262 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccsc1)N1CCC1 225593405 KSUCICNHDAYZDW-IWAYRVGRSA-N 312.438 3.325 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@@H](O)C1CC1 77107777 XYTSMYKAEQOSCN-LJQANCHMSA-N 309.409 3.173 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)ns1 576937829 WENKTPYPLBINJX-ZIAGYGMSSA-N 322.817 3.053 0 40 DGAB CCc1c(C)nc2ccccc2c1N1CCC(C(=O)NC)CC1 96496049 FGBMLHKXRHCQGW-UHFFFAOYSA-N 311.429 3.068 0 40 DGAB CN(C(=O)[C@@H]1C[C@@]12CCNC2)c1ccc(-c2ccccc2)cc1 578360462 KXXKKPXBLBOJPK-AZUAARDMSA-N 306.409 3.316 0 40 DGAB Cc1cc2ncn(C[C@H](O)CN(C)Cc3ccccc3)c2cc1C 51085948 UJGDDZMSHNJTMI-GOSISDBHSA-N 323.440 3.146 0 40 DGAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CC[C@@H]2CCCO2)c1 96410183 IQGPCFUYANHWLD-ROUUACIJSA-N 316.445 3.375 0 40 DGAB CCc1ccc(CN[C@@H](c2ccccc2)c2nnc(C)n2C)o1 97228006 CMGVCOHKKKHNBZ-KRWDZBQOSA-N 310.401 3.158 0 40 DGAB COc1cc([C@@H](C)N[C@@H]2CCc3nc(C)cn3C2)ccc1F 96489381 AKAAWMPZMUVNBJ-TZMCWYRMSA-N 303.381 3.005 0 40 DGAB O=C(c1ccoc1C1CC1)N1CCOc2cc(F)c(F)cc21 585090299 ORDIHFWRIKJRKO-UHFFFAOYSA-N 305.280 3.474 0 40 DGAB Cc1ccnc([C@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 257316468 VFTCQWSQHMEZGM-SFHVURJKSA-N 322.456 3.375 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 253504860 MGUDNDBPVZPSQA-APYGVLSGSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro Fc1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1 301174151 LIRGUAOHPODGLY-UHFFFAOYSA-N 311.360 3.289 0 40 DGAB Cc1ncn(-c2ccc(NC(=O)Cc3cscn3)cc2)c1C 1544775530 XQEKIZUADUFFHF-UHFFFAOYSA-N 312.398 3.127 0 40 DGAB CCCCCC(CCCCC)NC[C@H](C)OS(=O)(=O)O 5047548 SIRBYVQBZDEEJL-ZDUSSCGKSA-N 309.472 3.313 0 40 DGAB COc1ccccc1C1(NC(=O)c2snnc2C)CCCC1 12143073 YKALMGAPTKZFCO-UHFFFAOYSA-N 317.414 3.054 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1c1ccc(Cl)cc1F 13331762 YFFKWMLFZOAUAJ-WAYYCVMKSA-N 305.736 3.181 0 40 DGAB C[C@H]1CN(c2nc(-c3ccncc3)cc3ncccc23)C[C@H](C)O1 19497618 HDBQBIZYQQCEAE-KBPBESRZSA-N 320.396 3.305 0 40 DGAB CC1=NN(c2ccc(C(=O)NCC3CCCCC3)cc2)C(=O)C1 6882182 YQUBJVPJSWEVHS-UHFFFAOYSA-N 313.401 3.109 0 40 DGAB Cc1nccn1CC1CN(Cc2ccc(Br)cc2)C1 1849220792 LZIRDGDNBBJVLO-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2ccccn2)C1 238880730 PEMWXJHPRDEFCF-GFCCVEGCSA-N 317.776 3.420 0 40 DGAB O=c1c2ccccc2nnn1Cc1cccc(Cl)c1Cl 4512012 JUIYNAPVMGHKMP-UHFFFAOYSA-N 306.152 3.147 0 40 DGAB Brc1ccc(C2=N[C@@H]3c4ccccc4C[C@@H]3O2)nc1 1988187985 FSQRABKCFHVOFA-UONOGXRCSA-N 315.170 3.287 0 40 DGAB O=C(Cn1cccc1)N1CCS[C@H](c2cccs2)CC1 219509585 TXLMMAXUDPRHQE-AWEZNQCLSA-N 306.456 3.256 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(c2ccc3ccccc3n2)C1 2298199215 HZSITICDNXFEGB-OAHLLOKOSA-N 311.429 3.366 0 40 DGAB O=C(Nc1cccc2ccccc12)N1CC[C@@](O)(C(F)(F)F)C1 72305969 NUSFSDQCWXORLR-HNNXBMFYSA-N 324.302 3.371 0 40 DGAB O=C(NCc1ccnc(OC2CCCC2)c1)Nc1nccs1 40096136 XOKJOPNOBWVYOR-UHFFFAOYSA-N 318.402 3.181 0 40 DGAB CCc1ccc(-c2nnn([C@H](C)C(=O)Nc3ccccc3)n2)cc1 31763651 QGVYHWDAJXYPMR-CYBMUJFWSA-N 321.384 3.102 0 40 DGAB COc1ccccc1NC(=O)CCCc1nc(C(C)C)no1 40533831 XZMQLLNHYMOMKU-UHFFFAOYSA-N 303.362 3.163 0 40 DGAB COc1ccc2[nH]c(C)c3c2c1[C@]1(C)N(CC3)C(=O)OC1(C)C 99699 QIRMVQCDKUIWPS-SFHVURJKSA-N 314.385 3.487 0 40 DGAB COc1ccc(NC(=O)c2cn(C)nc2-c2ccccc2)cc1 11921339 BSABVNONQSTSSK-UHFFFAOYSA-N 307.353 3.348 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CCCCC2)nc1)c1ccccn1 1358248 NMMJDUGVQCXDDF-UHFFFAOYSA-N 324.384 3.248 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2c(C)cccc2C)c1O 3457877 SWWYKZLDVWFTKB-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB Cc1nc(NC(=O)N(C)Cc2nccn2C(F)F)sc1C 76036199 HRYPAQQXBQNLBU-UHFFFAOYSA-N 315.349 3.015 0 40 DGAB COCc1cccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)c1 32931205 IXSUMDHMEJPBSY-OAHLLOKOSA-N 312.413 3.088 0 40 DGAB CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccsc2)no1 97031874 WIZYOJUAMNGRAT-UHFFFAOYSA-N 316.386 3.357 0 40 DGAB CCc1c(C)sc(NC(=O)c2ccccc2F)c1C(N)=O 2760792 SIBWAKPQVLGSJV-UHFFFAOYSA-N 306.362 3.109 0 40 DGAB C[C@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@H]2C[C@@H]1C2(C)C 58803178 OGHLSNKDEIODIH-UXOAXIEHSA-N 302.418 3.375 0 40 DGAB O=C(c1ccccn1)N1CC(OCc2cccc3ccccc23)C1 81802011 WMQKXCTWZWLVPK-UHFFFAOYSA-N 318.376 3.276 0 40 DGAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2c(C)ccc(C)c21 9872726 VRTAZAPGDGFLHA-HXUWFJFHSA-N 323.392 3.017 0 40 DGAB CC1=Nc2c(cnn2-c2ccc(C)c(Cl)c2)C2=NCCCN12 12407256 YWPPJFMEHMBQSX-UHFFFAOYSA-N 313.792 3.350 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccc(OC)c3)C2)c1 33866522 AHPARIWRZMCMAU-LJQANCHMSA-N 324.380 3.401 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@@H](c2ccccc2F)C1(F)F 3185367 GHEVECZDQNIICI-AWEZNQCLSA-N 321.254 3.278 0 40 DGAB FC(F)(F)c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1 24052661 SFKOHXGCSURAQQ-UHFFFAOYSA-N 324.306 3.076 0 40 DGAB CCN(C(=O)c1ccccn1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106754017 KZBYAZPOTCUKDD-AEFFLSMTSA-N 323.440 3.379 0 40 DGAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1C 100426097 DKNPJCFCGBNHKJ-HZPDHXFCSA-N 315.417 3.049 0 40 DGAB COc1nc(C(=O)N[C@@H](C)c2ccccn2)cc2ccccc12 58215407 WANXDHGNXGRIRM-LBPRGKRZSA-N 307.353 3.129 0 40 DGAB C[C@H](OCC1CC1)C(=O)N[C@H]1CCOc2c(Cl)cccc21 58265540 MYPAYUWAKUFVDV-HZMBPMFUSA-N 309.793 3.095 0 40 DGAB Cn1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)cn1 78604174 AKCODCZVAXSFMB-NWDGAFQWSA-N 309.291 3.181 0 40 DGAB Cc1nccc(C(=O)NCC(c2ccccc2)c2ccccc2)n1 58394088 XHKHFAWVLIFRNR-UHFFFAOYSA-N 317.392 3.347 0 40 DGAB CCOc1cccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(C)no2)c1 58332154 ZSDPQGCGOFONIW-STQMWFEESA-N 317.389 3.060 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)o1 3344534 BFOJLICYBLTOFP-AWEZNQCLSA-N 302.374 3.138 0 40 DGAB C[C@H](NC(=O)[C@@H](C)Oc1ccccc1Cl)c1ccncc1 45116702 UWJMBIMRCRARMJ-NWDGAFQWSA-N 304.777 3.380 0 40 DGAB CCCCc1nnc(NC(=O)c2n[nH]c3ccccc23)s1 12769845 CRENRNKARFRWMH-UHFFFAOYSA-N 301.375 3.009 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1cccc(Cl)c1 12889382 NBEGCZKYZSNFLY-UHFFFAOYSA-N 306.749 3.082 0 40 DGAB Cc1ccc(CNC(=O)N(C)CCOc2ccc(F)cc2)cc1 12984996 UKWNXYJUABDLMI-UHFFFAOYSA-N 316.376 3.355 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccsc1 8430677 JOURDSSXTYUILB-UHFFFAOYSA-N 300.427 3.274 0 40 DGAB Cc1ccc2c(c1)cc(C(=O)N[C@@H](C(=O)O)c1ccccc1)n2C 4000383 YXBKSLNHHYEILM-QGZVFWFLSA-N 322.364 3.042 0 40 DGAB biogenic C/C=C/C=C/C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69563193 KRMOCJZKWNLHFN-VNKDHWASSA-N 312.369 3.141 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccn(CCc2ccncc2)n1 69530450 POBLZDXWJCIYAA-UHFFFAOYSA-N 320.396 3.010 0 40 DGAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](n2ccnc2)C1 69659458 BKKHFOKKNSQJTG-SFHVURJKSA-N 320.396 3.151 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCOc3ccccc32)nn1C(C)(C)C 42091945 SVMFLNXMLOIZDO-CQSZACIVSA-N 313.401 3.200 0 40 DGAB Cn1cccc1C(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 65521296 UBWVDFLHBXDIHL-UHFFFAOYSA-N 305.381 3.436 0 40 DGAB CC(=O)c1sc(CC(=O)Nc2ccc(C)cc2C)nc1C 14167561 LQGVDCQEUPCQHW-UHFFFAOYSA-N 302.399 3.452 0 40 DGAB COCCSc1ccccc1C(=O)NCc1ccccc1 4649121 SDNYUBDUWJWYLM-UHFFFAOYSA-N 301.411 3.355 0 40 DGAB COc1cccc(NC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1 14898325 AOIWVRMNTQOWPO-CQSZACIVSA-N 324.380 3.225 0 40 DGAB COc1ccccc1Cn1cnc2c([nH]c3ccc(F)cc32)c1=O 4812531 LRBXAKWTFYSHHB-UHFFFAOYSA-N 323.327 3.074 0 40 DGAB Cc1c(F)cccc1-n1nnc(C(=O)N2CCCCCC2)c1C 67283416 ZMTVYKXSHZDAHR-UHFFFAOYSA-N 316.380 3.039 0 40 DGAB Cc1ccc(-c2noc(CN3CCn4cccc4[C@H]3C)n2)cc1 15417220 XFVAQWXJOXDZGX-CQSZACIVSA-N 308.385 3.423 0 40 DGAB C[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)N1CCCC1 8142222 LQVAPKVJMFKHTH-JTQLQIEISA-N 300.374 3.424 0 40 DGAB O=c1c2ccsc2ccn1C[C@@H](O)c1ccc(F)cc1F 96001587 YRBMDDWZNXVNDZ-CYBMUJFWSA-N 307.321 3.075 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1ccc(F)cc1Cl 83540488 DMQIAFWDGOUQNY-GFCCVEGCSA-N 323.759 3.036 0 40 DGAB COc1ccccc1NC(=O)N1CCC[C@H]1C(=O)OC(C)(C)C 72314079 OFRCEBYDHILDPZ-ZDUSSCGKSA-N 320.389 3.033 0 40 DGAB CC[C@@](C)(NCC(=O)Nc1ccccc1)c1nc(C)cs1 72865239 FXRSIYXVMLZFIC-MRXNPFEDSA-N 303.431 3.305 0 40 DGAB O=C(CCCc1ccccn1)Nc1cnn(-c2ccccc2F)c1 88232505 WHBZOONZYJXVAK-UHFFFAOYSA-N 324.359 3.368 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)C[C@H](C)OC 95995434 BARYZQKPQDJFBS-VIFPVBQESA-N 315.211 3.244 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(C(C)(C)C(=O)O)cc2)o1 95965568 AGMOPQUSAJHOAY-UHFFFAOYSA-N 301.342 3.457 0 40 DGAB Cc1ccncc1NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1 89275362 JTXPZBKHEFQXJC-WCQYABFASA-N 305.403 3.085 0 40 DGAB COC(=O)C(C)(C)C(C)(C)NC(=O)Nc1ccc(F)c(F)c1 75110979 SWZKWTZEAZUDLL-UHFFFAOYSA-N 314.332 3.064 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)[C@H](O)c1ccc(F)cc1 75137082 CTAOESIFLNTPFD-BZNIZROVSA-N 318.348 3.078 0 40 DGAB COc1cccc(-c2noc(NC[C@@H]3CSCCS3)n2)c1 75109957 SRIAJVROAXZEQG-GFCCVEGCSA-N 323.443 3.006 0 40 DGAB CCN(C(=O)NCCCCc1cnn(C)c1)c1ccc(F)cc1 89969457 VALRJHKXBNSTKQ-UHFFFAOYSA-N 318.396 3.118 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCCC[C@H]1c1ccco1 110681682 AKZKVMXNFZVFRJ-APIJFGDWSA-N 304.390 3.226 0 40 DGAB Cc1cccc(NC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F)c1 408720025 IVHXVONENTYDNJ-LBPRGKRZSA-N 316.323 3.027 0 40 DGAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1ncc[nH]1 524735026 OPPQJGCGKWOZFG-CQSZACIVSA-N 314.776 3.483 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)c1ccccc1-n1cccc1 32555887 LXJRBWXTUWQION-UHFFFAOYSA-N 316.364 3.284 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2CC=CCC2)o1 184957244 NAUCIQHJUMXZBM-DZGCQCFKSA-N 304.390 3.381 0 40 DGAB c1cc(-c2ccc(SCCN3CCCCC3)nn2)ccn1 5381223 OAHSVJXEBIDNAH-UHFFFAOYSA-N 300.431 3.117 0 40 DGAB O=C(Cc1noc(-c2cccs2)n1)Nc1ccccc1F 35316249 XUUSSHXGHPVOBX-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB O=C(COc1ccccc1F)Nc1nnc(C2CCCCC2)o1 36652068 HLDFCNXAYRCQTA-UHFFFAOYSA-N 319.336 3.274 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNCc1ccc(CS(C)(=O)=O)cc1 134016189 RZOPONRKNVQZFV-MAUKXSAKSA-N 321.486 3.313 0 40 DGAB Clc1ccc2oc([C@H]3CCN(C4CCOCC4)C3)nc2c1 49168826 VFMRPZOBFXIRIN-NSHDSACASA-N 306.793 3.450 0 40 DGAB biogenic,in-vitro Cc1cc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)no1 225442736 QZEJFPCPUYVQPU-UHFFFAOYSA-N 302.311 3.148 0 40 DGAB CC(=O)Oc1ccccc1C(=O)c1cncc(Br)c1 43210685 QPCHNQHQNGIEFB-UHFFFAOYSA-N 320.142 3.000 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 226751118 CGLNNIDLYDKOCJ-GFCCVEGCSA-N 321.373 3.152 0 40 DGAB C[C@H](CNCc1nnc2ccccn12)c1cccc(Cl)c1 195573449 VMRCFWIDIJVPBD-GFCCVEGCSA-N 300.793 3.276 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@H]2C[C@H]2C)C1 195529225 NETOMWBLWZCCJP-OLMMMNRUSA-N 314.473 3.437 0 40 DGAB NCC1=Nc2ccc(Cl)cc2C(c2ccccc2F)=NC1 40433789 PYOLGMAWZPLCMY-UHFFFAOYSA-N 301.752 3.361 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)NCCN(C)c1ccccc1 222863148 UVEGADYNKMHXHR-GOSISDBHSA-N 312.413 3.097 0 40 DGAB Cc1occc1C(=O)N1CCC2(CCCN2CC2CCC2)CC1 96159393 DSGQHYJGIIOTLA-UHFFFAOYSA-N 316.445 3.459 0 40 DGAB c1ccc(CN2C[C@H]3CCC[C@@H](CNc4ccccn4)[C@H]3C2)nc1 96081928 VYZAOHYMKFZPSJ-YQVWRLOYSA-N 322.456 3.437 0 40 DGAB O=C(/C=C/c1cccnc1)N1CC[C@@H](COCc2ccccc2)C1 96426032 KXVVKCNZAODAMZ-CSHXORCISA-N 322.408 3.160 0 40 DGAB Cc1nc(CN2CCC(=O)Nc3cc(F)ccc32)sc1C 96476142 LXATVRZHRQXMSV-UHFFFAOYSA-N 305.378 3.248 0 40 DGAB COc1ncc(C)cc1NC(=O)C[C@H]1OCCc2ccccc21 96445013 JRIHEZNFIZDPJL-MRXNPFEDSA-N 312.369 3.041 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc(-n2ccnc2)c1 96432083 DGVAYTUUWCDVIO-MFKMUULPSA-N 324.211 3.243 0 40 DGAB O=C1N(c2ccccc2)CC12CCN(Cc1cccs1)CC2 96202912 MLQIWBWCXOTNCD-UHFFFAOYSA-N 312.438 3.377 0 40 DGAB CC[C@H]1C[C@@H](Cc2nc(-c3ccccc3OC)no2)CCO1 252508976 XZUUOULDLXQVDP-STQMWFEESA-N 302.374 3.493 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@H]1C(=O)O 263554015 XYUPZOOQQNGONR-ZOWXZIJZSA-N 305.374 3.037 0 40 DGAB CO[C@@H](CNC(=O)c1ccc(F)cc1F)c1cccc(F)c1 96388013 ZXBRHKZGQJTABD-HNNXBMFYSA-N 309.287 3.221 0 40 DGAB COCCCNC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 69441011 WCVUNHBUVYHOAF-CQSZACIVSA-N 320.433 3.042 0 40 DGAB COc1ccc(F)cc1C[S@](=O)CCc1scnc1C 86165334 ZCHWSJNGJKOGHT-FQEVSTJZSA-N 313.419 3.091 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2cccc(Br)c2)n1 5625395 IBKTWYNLSMIRLA-UHFFFAOYSA-N 308.179 3.229 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\SC(=O)NC1=O 13590105 DVGFRENVLAGYMU-XFFZJAGNSA-N 319.773 3.158 0 40 DGAB Cc1ccc(-c2nc3nc4c(cn3n2)C(=O)CC(C)(C)C4)cc1 13634159 DRAHXSHWDDGZJB-UHFFFAOYSA-N 306.369 3.255 0 40 DGAB CCOc1ccc2[nH]c(=O)c(CNCCc3ccccc3)cc2c1 13998758 PZDSVKBQYRYZOX-UHFFFAOYSA-N 322.408 3.259 0 40 DGAB COc1ccc(CCNC(=O)CCCOc2ccccc2)cc1 14399028 JLBWBOWZSMTIST-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C 17257951 IBBVWOZAKKWMOG-TXEJJXNPSA-N 312.410 3.123 0 40 DGAB O=C(Nc1nc(-c2cccnc2)cs1)c1n[nH]c2ccccc12 29255290 WHGNIFDJAAERQE-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB CCSc1cccc(C(=O)Nc2sccc2C(N)=O)c1 5241215 ZCUTXJMWWQSTCJ-UHFFFAOYSA-N 306.412 3.211 0 40 DGAB O=C(O)c1ccc(-c2ccc(C(=O)O)c(S)c2)cc1S 1857776032 WMVWIXQVNGAZRU-UHFFFAOYSA-N 306.364 3.327 0 40 DGAB CCCc1nnc(SCCCOc2ccccc2C(=O)O)o1 8731628 XSAALNIGZWVFAR-UHFFFAOYSA-N 322.386 3.282 0 40 DGAB Cc1ccc(N(C)C[C@@H](O)COCc2ccccc2F)c(C)c1 40153830 OWEZOISMZZSPFM-QGZVFWFLSA-N 317.404 3.456 0 40 DGAB O=C(/C=C/c1cccs1)NC(=S)N1CCc2ccccc21 79170 NRZNOSPUMBAXIF-BQYQJAHWSA-N 314.435 3.225 0 40 DGAB CCCCNC(=O)N[C@H](C)c1cnn(-c2ccc(F)cc2)c1C 29723201 KAWVUSCHKBTSJW-GFCCVEGCSA-N 318.396 3.480 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1cc2c(C)nn(C)c2nc1C 29756286 FSVLQCXPFNTWJX-UHFFFAOYSA-N 322.368 3.040 0 40 DGAB Cc1ccc(C(=O)N[C@H](C(=O)NC2CCCCC2)C(C)C)cc1 2632399 YMXVFEHPPYFRCG-KRWDZBQOSA-N 316.445 3.198 0 40 DGAB O=C1c2ccccc2C[C@H]1Sc1nnc(-c2cccnc2)o1 1378753 YZEIAXQZJXYNKE-CYBMUJFWSA-N 309.350 3.031 0 40 DGAB Cc1cc(NC(=O)c2ccc(C3SCCS3)cc2)n(C)n1 32809904 KBWJWQXBBIAHES-UHFFFAOYSA-N 319.455 3.459 0 40 DGAB CCN(Cc1ccoc1)C(=O)Nc1ccc(C(=O)OC)cc1C 69699013 ZMVVALKRFDHMLL-UHFFFAOYSA-N 316.357 3.429 0 40 DGAB C[C@]12CC[C@]3(O)[C@@H](CCC4=CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 4802911 SNMVJSSWZSJOGL-FQQAFBJJSA-N 302.414 3.202 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@@H]1c1ccco1 4909349 MRXRCHGPNMEDHW-HNNXBMFYSA-N 313.744 3.498 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1cccnc1 4909368 PBGZZMGDRYOUGK-MRXNPFEDSA-N 324.771 3.300 0 40 DGAB Cc1cc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c(C)o1 4931529 CZTXYUJUGHKORI-UHFFFAOYSA-N 307.733 3.345 0 40 DGAB CSCCc1ccc(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cc1 69685310 MTHJTJZJUAMKLV-WFASDCNBSA-N 308.447 3.281 0 40 DGAB Cc1ccccc1[C@H]1CCN(C(=O)c2ccnc(N(C)C)c2)C1 69662203 YVPOQUZQCFCEJC-INIZCTEOSA-N 309.413 3.086 0 40 DGAB CC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1F 69698297 WHMJMPZSNQICDU-TXEJJXNPSA-N 307.365 3.197 0 40 DGAB O=C(c1ccccc1O)N1CCO[C@H](c2ccccc2Cl)C1 69653939 UFNRXFFQAGVYPS-INIZCTEOSA-N 317.772 3.259 0 40 DGAB S=C(NCc1ccncc1)Nc1cccc(Br)c1 8104310 QFJGTVKITBCMSS-UHFFFAOYSA-N 322.231 3.331 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccccc3)CCCC2)cn1 12101413 MXPPSCUUDPJHOA-UHFFFAOYSA-N 310.397 3.332 0 40 DGAB O=C(Nc1ccc(C(=O)N2C[C@H]3CC[C@H]2C3)s1)c1ccco1 103650376 FGGGGDYKXYFASB-QWRGUYRKSA-N 316.382 3.218 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)NC2CCC(O)CC2)cc1 69972662 JPCZIBOVENBOTB-LRVUVFPRSA-N 322.474 3.462 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3O)cc2)n1 9609115 RIBRMCQSFXWZGW-UHFFFAOYSA-N 307.353 3.447 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)Cc2ccc(Cl)cc2)c1C 27929490 ZCKWQDOUOBUHKL-UHFFFAOYSA-N 319.836 3.374 0 40 DGAB Cc1ccc(NCc2c(F)cccc2F)cc1S(C)(=O)=O 97051251 KJLQMDWONSRKMI-UHFFFAOYSA-N 311.353 3.289 0 40 DGAB COc1cccc([C@@H]2CCCN2Cc2ncc(Cl)n2C)c1 54979011 HLKKQSPPSABBHT-AWEZNQCLSA-N 305.809 3.419 0 40 DGAB Cc1ccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)cc1 1395026 NEVNSOSOMJCXQN-UHFFFAOYSA-N 303.365 3.314 0 40 DGAB C[C@@H](NC(=O)c1ccc(N(C)C)c(F)c1)[C@H]1C[C@H]2CC[C@H]1C2 106574396 YHVDOUHWGXTRGX-UKTARXLSSA-N 304.409 3.446 0 40 DGAB COC(=O)Nc1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1F 106649918 UFDUUKQLJFWHJZ-NHCYSSNCSA-N 306.337 3.379 0 40 DGAB CCOC(=O)c1csc(NC(=O)c2cc3ccccc3o2)n1 3166691 KPYBHLHUHFTBGR-UHFFFAOYSA-N 316.338 3.318 0 40 DGAB CSc1ccc(C(=O)Nc2nnc(-c3ccccn3)s2)o1 72280992 VORPFJKBWZUWFB-UHFFFAOYSA-N 318.383 3.167 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)cc1C 101275406 HIEHPDRJABNNHQ-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB OCCCN(Cc1cc(F)cc2cccnc12)CC(F)(F)F 69705907 AQNXTXZAAWKZAE-UHFFFAOYSA-N 316.298 3.121 0 40 DGAB c1cn(C2CCCC2)nc1CN[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 108376767 WOITVOIRMASVPJ-RCCFBDPRSA-N 315.461 3.436 0 40 DGAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1cccnc1 48067977 WARAASAIRWGPQP-YCPHGPKFSA-N 305.422 3.037 0 40 DGAB COc1cccc(CNC[C@H](O)c2ccc(Cl)cc2)c1OC 58232398 RBZYYLDVCDOYDG-HNNXBMFYSA-N 321.804 3.180 0 40 DGAB COc1ccccc1NC(=O)N1CC[C@@H](Nc2ccccc2)C1 58316803 WUDCDBPUSQBPSQ-OAHLLOKOSA-N 311.385 3.414 0 40 DGAB O=C(CCC(=O)c1ccc(F)cc1)Oc1cccc2[nH]ncc12 58391239 NLPVWBWKJAUKCP-UHFFFAOYSA-N 312.300 3.271 0 40 DGAB O=C(CC[S@@](=O)Cc1cccc(F)c1)Nc1ccc(F)cc1 58439245 SYOHMVWZZFTURS-QFIPXVFZSA-N 323.364 3.242 0 40 DGAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)NCc1cccs1 12796641 JSTIKEGQAARPQX-STQMWFEESA-N 318.442 3.112 0 40 DGAB CCCCNS(=O)(=O)c1ccc(OCC)c2ccccc12 11566044 ZRWYPZOGUTZTOO-UHFFFAOYSA-N 307.415 3.317 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3ccc[n+]([O-])c3)n2)s1 11513376 RCDIPJYUYJCCQE-UHFFFAOYSA-N 317.395 3.066 0 40 DGAB Cc1cccc(C(=O)NCCCn2cnc3ccccc32)c1C 12744832 JFAUJVMGBFYSSL-UHFFFAOYSA-N 307.397 3.473 0 40 DGAB O=C(NC[C@@H]1CCCO1)N(Cc1ccco1)Cc1cccs1 48301614 GCJOAOLBPNTVIU-ZDUSSCGKSA-N 320.414 3.232 0 40 DGAB CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 3486645 JHIHAKSGOJGXCV-KBXCAEBGSA-N 317.429 3.282 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 3507591 HBJGSXRMWJOKDC-ZDUSSCGKSA-N 312.369 3.391 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)c1ccccc1 12986642 PMALXMLAXMSWJI-CQSZACIVSA-N 321.380 3.372 0 40 DGAB C[C@H](C1CC1)N(C)C(=O)c1ccc(NC(=O)c2ccco2)cc1 13012592 WBTNGKIURRYANR-GFCCVEGCSA-N 312.369 3.402 0 40 DGAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC[C@H]1CCOC1 48982799 UGKREVBKOPTBCC-SNVBAGLBSA-N 317.216 3.171 0 40 DGAB Cc1c([C@@H](C)NC(=O)Nc2cccc(-n3cccc3)c2)cnn1C 65548407 SZDBSPVURWZFEI-CYBMUJFWSA-N 323.400 3.402 0 40 DGAB COc1ccccc1CCNC(=O)c1cccc2cccnc12 14142234 ZZJCXLJCPCAXGF-UHFFFAOYSA-N 306.365 3.216 0 40 DGAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1cccn1C 6576769 MDNDDGAMPQNOTB-FMKPAKJESA-N 321.417 3.186 0 40 DGAB Cc1noc(COC(=O)c2ncoc2-c2ccccc2Cl)n1 76040748 JROIZBAJGXALGH-UHFFFAOYSA-N 319.704 3.043 0 40 DGAB Cc1ccc(-n2c(CCn3nc(C)cc3C)n[nH]c2=S)cc1 5614404 MSSMQQKENHRNAW-UHFFFAOYSA-N 313.430 3.294 0 40 DGAB COc1ccc(CCNC(=O)c2cc(Cl)ccc2F)cc1 15425477 WQBJYOSVOBROQQ-UHFFFAOYSA-N 307.752 3.460 0 40 DGAB COc1ccc(Cl)cc1CC(=O)NCCc1ccccc1F 7241319 BKOWJBVYXAKEML-UHFFFAOYSA-N 321.779 3.389 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210287 RJQSDBBQPGFLEV-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc3c(c2)CCC3)s1 7776719 HAKXGAVXYIIJIW-SECBINFHSA-N 319.455 3.455 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9118566 BWDABVLPSMJSCP-CYBMUJFWSA-N 312.369 3.205 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)NCCC2=CCCCC2)o1 7986138 LZEIYNSNZRYNIT-MDZDMXLPSA-N 317.385 3.151 0 40 DGAB Cc1c(C(=O)N2CC[C@@H](c3ccccc3)C2)[nH]c2c1C(=O)CCC2 71844388 WJKYRWOBTAEECZ-OAHLLOKOSA-N 322.408 3.472 0 40 DGAB C[C@H]1CCCN(C(=O)CCc2nc(-c3cccs3)no2)CC1 71841903 SONDHHBOLKWWKX-LBPRGKRZSA-N 319.430 3.379 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1CC[C@H](C)C[C@H](C)C1 95434937 YVCIXZQXJLMJNZ-STQMWFEESA-N 307.438 3.302 0 40 DGAB Cc1ccc2c(c1)[C@H](NCc1cccc(Cn3cncn3)c1)CC2 95420115 AZHCGXLAQPPYCT-HXUWFJFHSA-N 318.424 3.412 0 40 DGAB Cc1cccc(F)c1NC(=O)NC[C@@H](O)c1ccc(F)cc1 95996403 YRHOZNVSJAHTAH-CQSZACIVSA-N 306.312 3.128 0 40 DGAB CCN(CC(F)(F)F)C(=O)C1(c2ccccc2)CCOCC1 95978634 WDEPZDJAXVBCGK-UHFFFAOYSA-N 315.335 3.146 0 40 DGAB COCCC1(CNc2ccccc2S(C)(=O)=O)CCCC1 89410188 PSXSUXKIRORLMS-UHFFFAOYSA-N 311.447 3.099 0 40 DGAB COc1c(F)cc(NC(=O)NCCc2ccncc2C)cc1F 89702441 TWWINPKGZQEULJ-UHFFFAOYSA-N 321.327 3.041 0 40 DGAB C[C@H]1COc2ccccc2N1C(=O)c1cc(-c2cccnc2)on1 175356226 AQWWFDJLKGHJIV-LBPRGKRZSA-N 321.336 3.164 0 40 DGAB Cc1ccc(C(=O)NC2=NCCCN2c2cccc(F)c2)cc1 28535509 VIABNFJPAJGUKN-UHFFFAOYSA-N 311.360 3.130 0 40 DGAB Cc1noc(C)c1C(=O)NC[C@H](C)Oc1ccccc1Cl 78226993 XVIHNPZSWQRQSD-VIFPVBQESA-N 308.765 3.142 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cn(C)c3ccccc3c2=O)c1 408713275 REZNKSCIVGTPJV-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB CC[C@H](C)c1ccc([C@H](C)NC(=O)c2nc3ncccn3n2)cc1 36611694 WAHTVDRTUWBVOR-STQMWFEESA-N 323.400 3.129 0 40 DGAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC 38771673 HLGAKNAHXCOQBV-ZDUSSCGKSA-N 301.839 3.363 0 40 DGAB CCc1ccccc1CN1CCCNC(=O)[C@H]1Cc1ccccc1 550226421 NYLLIKGNADNLTD-HXUWFJFHSA-N 322.452 3.182 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cnc(C)s1 78317773 IOBFMESIXAFFKB-QWHCGFSZSA-N 313.492 3.315 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1C[C@@H]1C)CC1(CCOCC1)O2 72334213 WNWBDFOCJJTNMC-LZWOXQAQSA-N 315.413 3.140 0 40 DGAB Cc1c(CO)c2ccccc2n1C(=O)COc1ccccc1F 218742026 LONRIILNJVLQBY-UHFFFAOYSA-N 313.328 3.300 0 40 DGAB Cc1ncsc1C(=O)N1CCC([C@H](O)c2ccccc2)CC1 43286061 RCKLBMUYMXYYRK-OAHLLOKOSA-N 316.426 3.037 0 40 DGAB Cc1cccc(-c2nnc(COC(=O)c3cc(C4CC4)[nH]n3)o2)c1 78446327 GBWYVLVTRFEIND-UHFFFAOYSA-N 324.340 3.003 0 40 DGAB Cc1cc2c(cc1C(=O)NCc1ccc(F)cc1)OCCCO2 46077766 OWBSQJIXEWGSNU-UHFFFAOYSA-N 315.344 3.225 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(N)c1 40294135 OXOFIVRRWNGEDT-NOZJJQNGSA-N 311.223 3.340 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NCC(C)C 224972058 NCDCGFABCHEMCC-QGZVFWFLSA-N 318.461 3.019 0 40 DGAB Nc1cc(C(=O)N2CCCC2)ccc1NCCc1ccccc1 225413827 VUCQSLHXMUUAPQ-UHFFFAOYSA-N 309.413 3.159 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ccncc1 225638839 PNBZJISNNSHGGK-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB COc1cccnc1NC(=S)N[C@@H](C)c1ccccc1C 225755458 DBVBNSCJUDIDAS-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB C[C@@H](CO)N[C@H](c1ccc(Br)cc1)c1ccco1 97234073 HBXQXDDKKSURLU-IINYFYTJSA-N 310.191 3.102 0 40 DGAB C1CCC([C@@H](NC2CCN(C[C@H]3CCOC3)CC2)C2CC2)CC1 97238630 YIVQIFUZJORSTP-OXQOHEQNSA-N 320.521 3.436 0 40 DGAB CC(=O)N1CCC(NCC2(Cc3ccccc3)CCCC2)CC1 97233605 WUNBMWOYFWYKRV-UHFFFAOYSA-N 314.473 3.390 0 40 DGAB CCO[C@@H]1CCOC2(C1)CN(Cc1ccc3ccccc3n1)C2 248379848 OCOBJCKAEWYMJQ-QGZVFWFLSA-N 312.413 3.005 0 40 DGAB CNc1nc([C@H]2CCCN(Cc3cccnc3)C2)cn2cccc12 257308425 TWQWVMIWOGSXQM-INIZCTEOSA-N 321.428 3.151 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260658777 IXVKXGVBCOPREZ-HUBLWGQQSA-N 318.442 3.257 0 40 DGAB CS(=O)(=O)c1cccc(-c2csc([C@H]3CCCO3)n2)c1 283864104 IKMOHGPHXAQERE-CYBMUJFWSA-N 309.412 3.065 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 585181400 MCQJGETVBBPFNN-OAHLLOKOSA-N 322.412 3.230 0 40 DGAB CN1C(=O)CN=C(c2ccc(F)cc2F)c2cc(Cl)ccc21 675082149 GCCXWUJYZKJGMN-UHFFFAOYSA-N 320.726 3.432 0 40 DGAB C[C@H](C(=O)NC1CC1)N1Cc2ccccc2[C@H](c2ccccc2)C1 46054969 KBYPPOAXDUUNRJ-QRWLVFNGSA-N 320.436 3.301 0 40 DGAB Cc1cccc(N2CCN(Cc3nnc(C(C)C)o3)CC2)c1C 60372810 PGVWCAGFSKNLCI-UHFFFAOYSA-N 314.433 3.132 0 40 DGAB CC[C@H]1CN(C(=O)c2ccc(-c3ccsc3)nc2C)CCO1 69568864 KODXOBTVZZIUCZ-AWEZNQCLSA-N 316.426 3.370 0 40 DGAB CC(C)c1ccccc1NC(=O)N1CCC(C2OCCO2)CC1 69531312 IMCALKRAUQAACG-UHFFFAOYSA-N 318.417 3.427 0 40 DGAB Cc1ccccc1[C@H](CC(=O)O)NC(=O)[C@H]1C[C@@H]1c1ccco1 97231225 CEVMXFXLGNRWDK-KKUMJFAQSA-N 313.353 3.024 0 40 DGAB Cc1cncc(N2CCC(c3noc4cc(F)ccc34)CC2)n1 685921546 NHPCZKLBLTYKSS-UHFFFAOYSA-N 312.348 3.449 0 40 DGAB CCS(=O)(=O)c1ccccc1NCc1ccc(Cl)cn1 191847794 VNZBHFWMFVWLMD-UHFFFAOYSA-N 310.806 3.141 0 40 DGAB CSCC[C@@H](N)C(=O)N(C)Cc1cccc(Cl)c1Cl 95389789 SLXNGALNGHFUQM-LLVKDONJSA-N 321.273 3.032 0 40 DGAB NCC12CCC(CNC(=O)OCc3ccccc3)(CC1)CC2 1542984468 JBIHAUAMMBNUAV-UHFFFAOYSA-N 302.418 3.212 0 40 DGAB CCn1c([C@@H](C)NC(=O)c2ccccc2Cl)n[nH]c1=S 5445073 RDHWWDGJSJCJQF-MRVPVSSYSA-N 310.810 3.105 0 40 DGAB CC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3[nH]2)c1 14257639 JPTCWYKEQQSNIZ-UHFFFAOYSA-N 310.382 3.063 0 40 DGAB Cc1cccnc1NC(=S)NCCSc1ccccc1 18138240 RAQIRJMHPWMJSA-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB O=C1CCCN1c1cccc(NC(=S)NC2CCCCC2)c1 18167952 BKCXHHCARQPKDM-UHFFFAOYSA-N 317.458 3.433 0 40 DGAB C[C@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccn1 19657533 XVLGFRTWCPTVOP-AWEZNQCLSA-N 307.397 3.383 0 40 DGAB CCC(CC)[C@H]1C[C@H](NC2CCC3(CC2)OCCO3)CCO1 157892394 VAGDTCNDNJCNCF-IAGOWNOFSA-N 311.466 3.246 0 40 DGAB Cc1ccc(-n2nc(C(=O)NC3CC3)nc2-c2ccccc2)cc1 4999336 AXIARXBWQNXFQN-UHFFFAOYSA-N 318.380 3.135 0 40 DGAB C[C@@H](OC(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3280722 SSDZNCCLZPKKNA-SSDOTTSWSA-N 302.157 3.274 0 40 DGAB Cn1nccc1-c1ccc(CNC(=O)c2ccc(Cl)s2)o1 1888888200 TZRXVHCLACOTIB-UHFFFAOYSA-N 321.789 3.325 0 40 DGAB COc1ccc2cc(C(=O)N3CCn4cccc4[C@@H]3C)[nH]c2c1 30260779 OCUZDJFEBJCQME-LBPRGKRZSA-N 309.369 3.195 0 40 DGAB Cc1cc(NC(=O)c2cc3ccccc3oc2=O)n(C(C)C)n1 12444264 BMRNYFCZRVZWHG-UHFFFAOYSA-N 311.341 3.131 0 40 DGAB O=c1[nH]c2c(s1)[C@H](c1cccnc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100186477 RRGJAKVGOZYHOQ-HFULGKRXSA-N 316.451 3.484 0 40 DGAB COC(=O)c1cccc(C(=O)Oc2ccc3ccccc3c2)n1 190634 ZJBWJPJJOUHBNY-UHFFFAOYSA-N 307.305 3.241 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)c1 100629757 NVUNITSESMJPAG-JOCBIADPSA-N 323.392 3.371 0 40 DGAB CC(=O)Nc1ccc(OC(=O)CCNc2ccccc2C)cc1 32426520 VHNFATSUQULUBW-UHFFFAOYSA-N 312.369 3.361 0 40 DGAB O=S(=O)(NCCSC1CCCC1)c1ccc(Cl)cc1 32825865 LUNLBXFJJNBZLW-UHFFFAOYSA-N 319.879 3.294 0 40 DGAB C[C@@H](Cc1ccccc1)NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C 3210623 ZIPFLVNUPROOQC-OHNRDTAOSA-N 317.429 3.261 0 40 DGAB CSc1ncccc1C(=O)NCCO[C@H]1CCCC[C@@H]1C 32931283 MQWYYQXHKVJIRA-JSGCOSHPSA-N 308.447 3.129 0 40 DGAB CC[C@H](C)[C@H](CC)C(=O)NC(=O)NC(=O)[C@H](CC)[C@@H](C)CC 4705917 MIVQLJVKKVNMRL-XDQVBPFNSA-N 312.454 3.483 0 40 DGAB COc1cc(CN2CCC(N3CCCCC3)CC2)cc(OC)c1 4904183 BAEUDDWMYJKATI-UHFFFAOYSA-N 318.461 3.154 0 40 DGAB Cc1ccc(CN(Cc2cc(=O)n3cccc(C)c3n2)C2CC2)o1 52994014 UMEBIZWAAHFPCN-UHFFFAOYSA-N 323.396 3.069 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(S(C)(=O)=O)cc1 97038607 NUSRJGDCOQLGMN-GFCCVEGCSA-N 321.446 3.215 0 40 DGAB Cc1nc(NC(=O)C2(c3ccccc3)CCOCC2)sc1C 41774682 ISNLOOVQOMGQHB-UHFFFAOYSA-N 316.426 3.447 0 40 DGAB biogenic CC(C)C(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@@H](C)C1 76057465 AYMQPSIFMRYTIW-WFASDCNBSA-N 321.490 3.003 0 40 DGAB O=C(Nc1ccccc1)c1cccc(CN2CCC(CO)CC2)c1 54175243 AUUOHPPVWZUDEY-UHFFFAOYSA-N 324.424 3.143 0 40 DGAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)c1ccc[nH]1 61599409 PTGNUJVDXDBLOB-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB CCSc1ccc(C(=O)Nc2ccccc2[C@H](C)O)cn1 97046335 MOQGZQMWGCEUQM-NSHDSACASA-N 302.399 3.499 0 40 DGAB O=Cc1c(Cl)[nH]c2cccc(I)c12 43828080 QLBRVYKQFLZVDI-UHFFFAOYSA-N 305.502 3.238 0 40 DGAB CN(C)CCC[C@]12O[C@@H](c3ccccc31)[C@@H](O)c1ccccc12 104197898 QYDFQGAINLZXRW-SLFFLAALSA-N 309.409 3.390 0 40 DGAB CCC(=O)N1N=C(c2ccc[nH]2)C[C@H]1c1ccc2nccnc2c1 44893503 GMWTUSPDZYGBHL-KRWDZBQOSA-N 319.368 3.046 0 40 DGAB Cc1ccccc1C(=O)NCCc1ccc(-n2cccn2)cc1 10222080 VWHYJUVJOLPJKK-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB O=C(NC[C@@H]1CCN(c2ccc(Cl)cc2)C1)C1CCCC1 58291904 ANNJKZJFGZJHQU-ZDUSSCGKSA-N 306.837 3.473 0 40 DGAB CCCCNC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(F)cc12 2331651 BFOVSSLEMZAGAY-UHFFFAOYSA-N 321.352 3.405 0 40 DGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)Nc1ccccc1 12617998 ONJVISTVJUPGGU-JLHYYAGUSA-N 306.365 3.465 0 40 DGAB O=C1CCCN1c1ccc(C(=O)N(Cc2ccco2)C2CC2)cc1 29269338 KVRSOACJQQJXHX-UHFFFAOYSA-N 324.380 3.211 0 40 DGAB Cc1c(NC(=O)CC2CCCC2)c(=O)n(-c2ccccc2)n1C 3462801 ITJWTAQZKLFEET-UHFFFAOYSA-N 313.401 3.003 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N2CCc3ccccc32)s1 3544556 OCDLCSZYQRGHCQ-LBPRGKRZSA-N 315.394 3.191 0 40 DGAB COCCN(C(=O)[C@H]1C[C@@H]1c1ccccc1OC)C1CCCC1 69530693 QBSRUBVCMVJBKC-SJORKVTESA-N 317.429 3.216 0 40 DGAB CC(C)(C)NC(=O)[C@@H](OC(=O)c1ccco1)c1ccccc1 3764260 KNBLLRFDDCHRRA-AWEZNQCLSA-N 301.342 3.092 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)O)[C@@H]2c2cccs2)cc1 3888162 PRTGINCKDPPNSZ-IUODEOHRSA-N 301.367 3.235 0 40 DGAB Cc1cc(C[S@](=O)Cc2ccccc2C(F)(F)F)no1 64811561 WOWJUMXUMSRIAC-FQEVSTJZSA-N 303.305 3.451 0 40 DGAB c1ccc2sc(CN3CCO[C@H](c4nccs4)C3)nc2c1 65594844 VAWQWZCUHMAWHO-LBPRGKRZSA-N 317.439 3.326 0 40 DGAB COc1ccc(-c2nc(NC(=O)[C@@H]3CCCO3)sc2C)cc1 6510032 GVIVIQGHXBFBSB-ZDUSSCGKSA-N 318.398 3.245 0 40 DGAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1ccncc1 66089162 VHTYKJNJTWZOJJ-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB Cc1nc2nc(C)c(Cc3cccc4ccccc34)c(O)n2n1 18222720 ANUHOHBLXGGKNO-UHFFFAOYSA-N 304.353 3.191 0 40 DGAB O=C1N[C@@]2(CCc3ccccc32)C(=O)N1C/C=C/c1ccccc1 8890383 AAWHYCIONABAOK-AQDCRGGLSA-N 318.376 3.093 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)Nc1cc(F)cc(F)c1 8980474 AZEWXBZQMUSIOY-UHFFFAOYSA-N 305.280 3.265 0 40 DGAB CNC(=S)NC[C@@H](c1cccs1)c1c[nH]c2ccccc12 7662574 GUZPVCVUYQZXCX-CYBMUJFWSA-N 315.467 3.455 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)cc2)s1 7842682 GCGFFXJMYGRIDS-UHFFFAOYSA-N 302.399 3.145 0 40 DGAB C[C@@H](Sc1ncn[nH]1)C(=O)Nc1cccc(Cl)c1Cl 7813674 AHXAGJHNDFZQAB-ZCFIWIBFSA-N 317.201 3.231 0 40 DGAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cccc2cccnc12 7976735 ONWCVEWUTMSZLT-INIZCTEOSA-N 318.332 3.475 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(OC)cc1 8040811 GQXCIRMBLHNILA-INIZCTEOSA-N 317.360 3.308 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)c1 70010836 YOEOUHUQWGAWQE-ZBFHGGJFSA-N 315.417 3.196 0 40 DGAB Cc1ncc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)s1 69389638 AAZQYALSDQAXIF-INIZCTEOSA-N 316.426 3.037 0 40 DGAB Fc1ccc(CN2CCCC[C@@H]2C2OCCO2)c2ncccc12 69310239 GCTVYZCEYQYNQH-MRXNPFEDSA-N 316.376 3.101 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@@H](n2ccnc2)C1 71796540 HLAALIJLMPVLGN-CQSZACIVSA-N 308.385 3.150 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2cn3cc(C)ccc3n2)C1(C)C 71820089 HUQQYWJUYYOAFB-NVXWUHKLSA-N 311.429 3.497 0 40 DGAB COC(=O)c1ccc(NC(=O)N(C)Cc2ccccc2)cc1F 83864230 JSLXKYSCTWSCFN-UHFFFAOYSA-N 316.332 3.276 0 40 DGAB COCC[C@H](C)C(=O)N1CCS[C@@H](C)[C@H]1c1ccccc1 73815132 GVLHILYIEJUSDT-DZKIICNBSA-N 307.459 3.364 0 40 DGAB Cc1cccc(COc2cccc(NCc3ncnn3C)c2)c1 86208109 FBBAGNALGTWFRX-UHFFFAOYSA-N 308.385 3.315 0 40 DGAB C[C@H](NC(=O)N[C@@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 89905665 BHFJAVJJMYFHTP-YSVLISHTSA-N 320.458 3.102 0 40 DGAB CCn1c(C)cc(C(=O)NCCc2ccc(OC)cc2)c1C 24713840 QQXKGNFRUZVKAL-UHFFFAOYSA-N 300.402 3.106 0 40 DGAB CC[C@](C)(NC(=O)[C@H]1COc2ccccc2C1)c1nccs1 172422980 IFSTZWULZNUWCI-DYVFJYSZSA-N 316.426 3.136 0 40 DGAB Cc1ccccc1C(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 70639876 GNYUTZMKHPUSTC-OAHLLOKOSA-N 323.314 3.477 0 40 DGAB COc1ccc(CCC(=O)NCCSCc2ccco2)cc1 31252055 ASNUTCBYHLIANZ-UHFFFAOYSA-N 319.426 3.270 0 40 DGAB COc1ccc(-c2cc3nccc(-c4cccnc4)n3n2)cc1 79479602 QLUROTIGOKWVOS-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB O=C(COc1ccc(C(F)(F)F)cc1)O[C@H]1CCCCC1=O 61567290 YDWWXVCBNADSMN-ZDUSSCGKSA-N 316.275 3.139 0 40 DGAB Oc1cccc(CN(C[C@H]2CCC=CO2)C2CCC(O)CC2)c1 193829628 NGWZKKWVOABJBC-FAFZWHIHSA-N 317.429 3.190 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225229323 NZXPBGFQXNBDBW-GOEBONIOSA-N 306.425 3.198 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2C[C@H]2C)C1 195529227 NETOMWBLWZCCJP-YYAJDYIMSA-N 314.473 3.437 0 40 DGAB c1csc(CN2Cc3nccn3C[C@@H](COCC3CC3)C2)c1 96187877 STXIPLQUPWLERZ-HNNXBMFYSA-N 317.458 3.003 0 40 DGAB Cc1cnc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)s1 96192998 XYXGSVKPIQSUSI-HNNXBMFYSA-N 319.361 3.112 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)c1ccc2cc[nH]c2c1 96487328 FTYJXHUULDYRLA-UHFFFAOYSA-N 315.373 3.166 0 40 DGAB Cc1cc(Sc2ccc(S(C)(=O)=O)cc2)nc(C(C)C)n1 96472184 DYXRISXSDMROHA-UHFFFAOYSA-N 322.455 3.463 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)Nc2nnc(C)s2)C1 96452171 YUEZFVOSYOIIII-UWVGGRQHSA-N 300.453 3.032 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccccc1 96486111 IRHSTXGBFHZAEQ-HUUCEWRRSA-N 316.401 3.175 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2cccc(-n3cccn3)c2)cn1 96443798 OLNVFMFHIDWZMZ-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB COCCCn1c(CCCC(=O)O)nc2cc(Cl)ccc21 95095660 JOKNESVELCOTNS-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB O=C(Nc1ccccc1SC(F)F)N[C@@H](CCO)C1CC1 96421834 LBTIWTOBVJRPDI-JTQLQIEISA-N 316.373 3.284 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(F)cc1OC(F)F 96435456 RVELAILBPTYHQA-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB C[C@@H]1C[C@@H](C(=O)N(C)Cc2nnc3ccccn23)CC(C)(C)C1 584908456 CTVLFSFMTLYVKL-ZIAGYGMSSA-N 314.433 3.150 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@H]1CCC2=O 253504574 HMFQSUMWKTYRNZ-JNLANRFBSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro CNc1nccc([C@@H]2CCCCN2Cc2ccccc2OC)n1 257297631 RIFBYDWCBDYSJD-INIZCTEOSA-N 312.417 3.254 0 40 DGAB O=C(O)c1c(OC2CC2)cnc2cccc(Br)c12 685937617 UFVBGOKILGFHGS-UHFFFAOYSA-N 308.131 3.237 0 40 DGAB COc1ccc(C(=O)Nc2nncs2)cc1-c1ccccc1 50296188 BZSRDWXZWIWOIX-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB O=C(NC1CCSCC1)c1cccnc1Oc1ccccc1 58419486 XRNJRECMRBDKDF-UHFFFAOYSA-N 314.410 3.499 0 40 DGAB CC(C)N(Cc1cccnc1)C(=O)/C=C/c1ccc(-c2ccccc2[N+](=O)[O-])s1 97371116 XMBWRSNBPAWOGC-HNNXBMFYSA-N 407.495 5.169 0 40 DGAB CC(C)[C@@H]1CS[C@@H]2N1C(=O)[C@]2(OCc1ccccc1)C1CC1 5733236 PVAYOPQURUHFJD-RYQLBKOJSA-N 317.454 3.292 0 40 DGAB CCCC[C@@H](CC)NC(=O)c1cc(OC)c(OC)c(OC)c1 5784338 DKPZXGNGNHIAGM-CYBMUJFWSA-N 309.406 3.411 0 40 DGAB Cc1ccc(S(=O)(=O)N(Cc2ccccc2F)C2CC2)cc1 12910667 CXGPXRMPOLJIFN-UHFFFAOYSA-N 319.401 3.487 0 40 DGAB CCN(CC)C(=O)CCn1c(-c2cccnc2)cc2cccnc21 19526206 FHWQOPIKFIUOJK-UHFFFAOYSA-N 322.412 3.357 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2cccc(C)c2)C1 19960680 JMVOGLWHIADVQS-UHFFFAOYSA-N 309.413 3.125 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2ccc(OC)cc2)cc1 5673090 CHMPIVCGVXDTTL-UHFFFAOYSA-N 300.310 3.091 0 40 DGAB CCN1CCCCN[C@@H](CC(C)C)COc2ccccc2C1=O 643570100 JYRUBXANHMFOJT-INIZCTEOSA-N 318.461 3.326 0 40 DGAB CO[C@@H](CCSC)CNC(=O)C12CC3CC(CC(C3)C1)C2 1888904144 ASORCEMYYWKNAG-RDVIWEACSA-N 311.491 3.087 0 40 DGAB O=C(Cc1ccsc1)NCC[C@H](CCO)c1cccs1 575622440 YUEDMJRPMBPDFK-CYBMUJFWSA-N 309.456 3.025 0 40 DGAB COc1cccc(-c2cc(C(=O)O)n3nc(C)c(Cl)c3n2)c1 20617282 HVOPOPJSCYRMQF-UHFFFAOYSA-N 317.732 3.065 0 40 DGAB COc1ccccc1CN1CCC(N2CCC(C)CC2)CC1 20064609 GBVHRZRSXRLVFC-UHFFFAOYSA-N 302.462 3.392 0 40 DGAB COC(=O)c1ccc(NC(=O)CNc2cc(C)cc(C)c2)cc1 30295886 UOCNWXOQZBZXGQ-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB C[C@H](OC(=O)Cc1cccc2cccnc12)c1nc(C2CC2)no1 50626274 RYUHLJLUIJUCOU-NSHDSACASA-N 323.352 3.342 0 40 DGAB CCOC(=O)[C@@]12C(=O)Oc3ccccc3[C@@H]1C(C)(C)C2(C)C 339673 PLNNXAVEFSXDEX-FZKQIMNGSA-N 302.370 3.305 0 40 DGAB COC(=O)CSc1nnc(-c2ccc(Cl)cc2Cl)o1 193478 YBQLAHJGHFRSNA-UHFFFAOYSA-N 319.169 3.309 0 40 DGAB C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ncc(C(C)(C)C)o1 78990164 MZJOAZGUVYLLSA-LLVKDONJSA-N 317.389 3.076 0 40 DGAB C[C@H](NCc1ccc2c(c1)nnn2C)c1ccc(F)cc1F 79093414 ZBBALWLNCNJIDB-JTQLQIEISA-N 302.328 3.097 0 40 DGAB Cn1c(SCCc2ccccn2)nnc1-c1ccccc1F 7034510 PQNXIBSQHMCJJR-UHFFFAOYSA-N 314.389 3.351 0 40 DGAB CN(C)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 484057 LLOTXEXNBVHBKP-UHFFFAOYSA-N 308.337 3.111 0 40 DGAB NC1CCN(c2nc(-c3ccccc3)cc(C(F)(F)F)n2)CC1 12396848 VSYWOSYSTWYZGG-UHFFFAOYSA-N 322.334 3.090 0 40 DGAB O=C1COc2cc(NC(=O)c3cccc(F)c3)c(Cl)cc2N1 33193778 NWCBBVFHZSFBHY-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB Cc1ccc(NC(=O)COc2ccc3oc(=O)cc(C)c3c2)cc1 552648 BYLICHFZEFAJRG-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB COc1ccccc1C(=O)NCCCn1ccc2ccccc21 12562976 OMYYWSGLVKJLBD-UHFFFAOYSA-N 308.381 3.470 0 40 DGAB COc1cccc(CCC(=O)NCC2(c3ccccc3)CC2)c1 23307576 CBDFOZCVWVMHAB-UHFFFAOYSA-N 309.409 3.476 0 40 DGAB CN(Cc1ccnn1C)C(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 102598094 CKVAEPCYWXPGHN-MJGSYPLASA-N 315.461 3.375 0 40 DGAB COc1ccc([C@@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)cc1 105882509 IUXIBHYGDCVOED-YJBOKZPZSA-N 316.445 3.091 0 40 DGAB CCn1ccnc1S[C@H](C)C(=O)Nc1cccnc1Cl 12646566 KXQKTBBOGQXGKO-SECBINFHSA-N 310.810 3.071 0 40 DGAB c1csc(-c2noc(CNc3cccc4c3OCCO4)n2)c1 55893817 ZYHCAOPGGPSWFS-UHFFFAOYSA-N 315.354 3.181 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1F 25331181 MOPHONUERHOYHI-HNNXBMFYSA-N 306.406 3.228 0 40 DGAB C[C@@](O)(CC(=O)N1CCc2cc(F)ccc2C1)c1ccccc1 97079776 SEPXSASGHYBXBS-LJQANCHMSA-N 313.372 3.008 0 40 DGAB O=C(C=C1CCCCC1)NCCc1cnn(-c2ccccc2)c1 55981636 YAJYUSQEZDXMCJ-UHFFFAOYSA-N 309.413 3.422 0 40 DGAB CC(C)CCNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 12605498 LWPGNBMPBFMXCG-GOSISDBHSA-N 324.424 3.320 0 40 DGAB CCOc1ccc([C@H](C)N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 25900410 XVORWAXCJWZPKL-STQMWFEESA-N 317.389 3.060 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc2[nH]ccc2c1 107541024 MUDGPONZJNJMHX-UHFFFAOYSA-N 304.353 3.017 0 40 DGAB C[C@@H](Sc1nccn1-c1ccccc1)C(=O)NC1CCCC1 27486774 MTNZUHPKALNLFO-CYBMUJFWSA-N 315.442 3.412 0 40 DGAB C[C@H](NC(=O)N[C@@H](C)[C@@H]1CCCO1)c1ccc(Cl)s1 44955382 WUVYJPFEHNNJHR-GUBZILKMSA-N 302.827 3.329 0 40 DGAB COc1ccccc1CCNC(=O)CCc1ccc(F)c(F)c1 28427782 QWABYGJOSUJNNN-UHFFFAOYSA-N 319.351 3.265 0 40 DGAB O=C(COc1ccccc1-c1ccccc1)Nc1nncs1 11054769 OQNMHSHSJWKKPJ-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)[C@H]3C[C@@H]3c3ccco3)C2)n1 72235750 IGFJTVNZGGBTDD-PMPSAXMXSA-N 313.401 3.060 0 40 DGAB Cc1ccc(CNC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 12851863 DJOFPQXWCVHGFM-UHFFFAOYSA-N 308.385 3.251 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)c1cccs1 12980684 RAFNMSSEUXANRI-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COC(=O)c1ccc2nc(SCc3ccncc3)oc2c1 96409196 MDMFLSSJLKWZQM-UHFFFAOYSA-N 300.339 3.302 0 40 DGAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cn2cccn2)o1 96433283 SFHAYVSEPRNDBY-UKRRQHHQSA-N 301.390 3.038 0 40 DGAB O=C(OCc1cnc(-c2cccs2)o1)c1ccc(F)nc1 96425264 OEPQBUCRBXLHRX-UHFFFAOYSA-N 304.302 3.294 0 40 DGAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccccc1F 5079935 TZJZJGKWVYDSNM-UHFFFAOYSA-N 324.311 3.169 0 40 DGAB COC(=O)c1ccc(CN2C(=O)c3cccc4cccc2c34)o1 6128252 DYQHGBYHVAVCON-UHFFFAOYSA-N 307.305 3.380 0 40 DGAB O=C(Oc1ccc2c(c1)OCO2)c1cccc(Br)c1 6213025 WDKKMVFUKCNXJI-UHFFFAOYSA-N 321.126 3.397 0 40 DGAB Cc1cc(C)cc(-n2ncc3c2ncn2c(C(C)(C)C)nnc32)c1 5204835 RIYPPXFKTLJCJV-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB CCc1c(Oc2ccc(OC)cc2)nc2n(c1=O)CCCS2 5307301 YTYLVJCNTVUEHR-UHFFFAOYSA-N 318.398 3.102 0 40 DGAB Cc1cccc(C[S@](=O)Cc2nc(-c3ccco3)no2)c1 66297222 LDSMKLANUOPXBX-OAQYLSRUSA-N 302.355 3.087 0 40 DGAB Sc1nnc(-c2cc(-c3ccco3)[nH]n2)n1-c1ccccc1 5687447 FHEPCMVBZQFYIB-UHFFFAOYSA-N 309.354 3.206 0 40 DGAB COc1ccc(CCN[C@H](C)CC(=O)Nc2ccccc2)cc1 6787571 BMSYDFMKNBTHTK-OAHLLOKOSA-N 312.413 3.245 0 40 DGAB CC(=O)c1ccccc1C(=O)N1CC[C@@H](OCCC(C)C)C1 83002732 PKAMZJMHDZEZOW-OAHLLOKOSA-N 303.402 3.166 0 40 DGAB Cc1nc(C(=O)N[C@@H]2CCCC[C@H]2C)nn1-c1ccc(F)cc1 15191841 CWWXFIAAFIWRPO-IAQYHMDHSA-N 316.380 3.023 0 40 DGAB CCCN1C(=O)CN(c2ccc(C)cc2)C(=O)[C@H]1c1ccccc1 15413221 HFVUJTOOCMOWSW-LJQANCHMSA-N 322.408 3.322 0 40 DGAB CCOC(=O)NC(=O)CNc1ccccc1Oc1ccccc1 9155678 WJUYATAXSHBTIW-UHFFFAOYSA-N 314.341 3.164 0 40 DGAB CNc1nnc(SCC(=O)c2ccc(Cl)s2)s1 7101617 SIJHYXKTHSAGRC-UHFFFAOYSA-N 305.837 3.270 0 40 DGAB Cc1cc(C)c(NC(=S)N2CCCN(C)CC2)c(Cl)c1 7325791 DVAOLDQANJYOHO-UHFFFAOYSA-N 311.882 3.291 0 40 DGAB CC1(C)CC(NC(=S)NCc2ccc(F)cc2)CC(C)(C)N1 7351124 PFUZHKJHXAAIKZ-UHFFFAOYSA-N 323.481 3.099 0 40 DGAB COc1cc(SC)ccc1C(=O)OCc1c(C)noc1C 7779949 VRFWYMKPAZDGJR-UHFFFAOYSA-N 307.371 3.379 0 40 DGAB COc1cccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1OC 7886290 SNJHQQFGRFVROV-GOSISDBHSA-N 324.380 3.433 0 40 DGAB Cc1nnc(-c2ccccc2C(=O)OCc2cccs2)o1 96002335 SLBZTZNIQOLDGY-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1cccs1 90914230 VEZQMPVFBXSPJK-XIRDDKMYSA-N 316.470 3.034 0 40 DGAB O=C(Nc1ccc(Cl)c(Br)c1)[C@H]1CCOC1 94670857 AKAFBEXBRKWVII-ZETCQYMHSA-N 304.571 3.078 0 40 DGAB C[C@H](NCc1cn2ccsc2n1)c1nc2ccccc2n1C 91309060 WWEADHFYYCJVJC-NSHDSACASA-N 311.414 3.133 0 40 DGAB O=C(Nc1ccncc1F)N[C@H]1CCCOc2cc(F)ccc21 97135559 XGGLIRMSJLYJIA-ZDUSSCGKSA-N 319.311 3.395 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)[C@@H]1C[C@H]1c1cccnc1 71847677 SGBLDMTZYODKAS-DLBZAZTESA-N 324.424 3.331 0 40 DGAB CC(C)C(=O)N1CCC[C@@H]1C(=O)Nc1ccc(F)cc1Cl 71970704 KYNXQIYGTYGOJI-CYBMUJFWSA-N 312.772 3.065 0 40 DGAB COc1cccc(N2CC[C@H](CNCc3ccc(C)o3)C2)c1 71924605 RBAWGJWIWNCYJY-OAHLLOKOSA-N 300.402 3.213 0 40 DGAB Cc1cc(C)c(CNc2ncnc3cc(Cl)ccc23)c(=O)[nH]1 72304078 OAUNCSPPSOVNRC-UHFFFAOYSA-N 314.776 3.200 0 40 DGAB Oc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 95082614 HUWZDEJPGQFECC-UHFFFAOYSA-N 324.302 3.310 0 40 DGAB CC[C@@H]1CC[C@@H](NCc2nnc3n2C[C@H](C(F)(F)F)CC3)C1 84735446 LEBDKGSREWHYOJ-IJLUTSLNSA-N 316.371 3.071 0 40 DGAB C[C@H](CCn1cncn1)N[C@H]1CC2(CCC2)Oc2ccccc21 95423615 IQYVQRDZUCEHPL-ZBFHGGJFSA-N 312.417 3.093 0 40 DGAB CCOC(=O)C1(NCc2ccc(F)cc2)Cc2ccccc2C1 95961363 QWJMKVKWFUSJJI-UHFFFAOYSA-N 313.372 3.016 0 40 DGAB Cc1cccc(C(=O)NC[C@](C)(O)c2ccccc2Cl)c1 95943429 ZYRUDOKHMKUWDV-KRWDZBQOSA-N 303.789 3.286 0 40 DGAB C[C@@H](C(=O)NCc1cc(=O)[nH]c2ccccc12)c1cccs1 75092981 MZUWTBOJHDWPHT-LLVKDONJSA-N 312.394 3.010 0 40 DGAB O=C1OC(/C=C/c2ccccc2)=N/C1=C/c1ccc(O)cc1O 408841704 GXGRXPUAHVLJNT-UJHPFZFGSA-N 307.305 3.107 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1cccc(Cl)c1 72227977 WEZSOCJZLLOQNL-KGLIPLIRSA-N 307.180 3.409 0 40 DGAB CSC[C@H](CCO)NC(=O)Nc1cccc2ccccc12 77513145 UEHLQTQCSGSANJ-ZDUSSCGKSA-N 304.415 3.075 0 40 DGAB Oc1nn(-c2ccc(Br)cc2)cc1Br 6557440 OOXXDCAEYMZUBT-UHFFFAOYSA-N 317.968 3.103 0 40 DGAB biogenic Cc1nn(C)cc1[C@H](C)NC(=O)[C@H](C)CCOc1ccccc1 73074989 YKDXJXOCROJDRN-KGLIPLIRSA-N 315.417 3.011 0 40 DGAB Cc1nc(C(=O)N2CC[C@@H](Cc3cccc4cccnc34)C2)co1 72368612 FNFZWXGYDZNYPU-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB CC(=O)NC[C@@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 79353758 BJVSGPRMNYASJC-ZDUSSCGKSA-N 317.820 3.241 0 40 DGAB C[C@@H](NC(=O)CCc1ccco1)c1cccc(-n2cccn2)c1 73204868 YXDGWIJWUMOVFZ-CQSZACIVSA-N 309.369 3.275 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C)cc2)N1 34798743 BEEVAEJHPKFYMA-MSOLQXFVSA-N 320.392 3.253 0 40 DGAB biogenic CN(Cc1cccc(C(F)(F)F)c1)[C@@H](C(=O)O)c1cccnc1 574643897 BZCSDEIOJFZSTC-CQSZACIVSA-N 324.302 3.358 0 40 DGAB COC(=O)CCc1csc(N[C@@H]2CCOc3ccccc32)n1 225556449 AXXWVORDQWJMGC-CYBMUJFWSA-N 318.398 3.184 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)N2CCCCCC2)n1 41184352 IHEYITDYENPWPK-UHFFFAOYSA-N 313.401 3.380 0 40 DGAB COc1ccc(C(=O)NCCOCc2ccccc2)cc1Cl 225144861 PRHSQEDPZBBHKQ-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)nc1)[C@@H]1CC=CCC1 225593051 RVACLEZGNIAEKS-QGZVFWFLSA-N 307.397 3.159 0 40 DGAB Cc1csc(NC(=O)N(C)Cc2nc3ccccc3n2C)n1 96448248 AZKZLSDNZYRHNG-UHFFFAOYSA-N 315.402 3.002 0 40 DGAB CC(C)COCc1cncc2c1CCN(Cc1nccs1)C2 96189328 MPDUVINVGJNRDS-UHFFFAOYSA-N 317.458 3.269 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1ccnn1C 96436031 XZOBZWDBTIHXMY-AWEZNQCLSA-N 314.433 3.115 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 583614652 OELNESRRSCFFDD-GOEBONIOSA-N 315.344 3.244 0 40 DGAB COc1ccc([C@@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 95533671 LTNRKKNWRQTNOG-CQSZACIVSA-N 314.776 3.182 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@@H]1CCCC[C@H]1C 245267031 LGPUFMUNOIMBHS-AZKPOVRMSA-N 315.413 3.326 0 40 DGAB CS(=O)(=O)Cc1ccccc1NC[C@H]1CCc2ccccc21 584908448 DHWMUQZMNCJNRU-OAHLLOKOSA-N 315.438 3.373 0 40 DGAB Oc1nc(CN[C@H]2CCc3ccccc3OC2)cc2ccccc12 585080192 DUECXEUMGQHACF-INIZCTEOSA-N 320.392 3.424 0 40 DGAB CCc1ccccc1S(=O)(=O)NCc1oc(C(C)C)nc1C 585115195 QLOMDNLPCUFVEM-UHFFFAOYSA-N 322.430 3.147 0 40 DGAB Cn1cc(SCCCC(=O)Nc2cc(F)cc(F)c2)cn1 257173375 LPYLEFZUSURXIH-UHFFFAOYSA-N 311.357 3.209 0 40 DGAB CN(C)[C@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 257270185 MTCCMEDODPNOBJ-MPGHIAIKSA-N 315.461 3.017 0 40 DGAB O=C(NCc1cccnc1)Nc1nnc(C2CCCCC2)s1 43616216 QJEAJBJCMLTULC-UHFFFAOYSA-N 317.418 3.303 0 40 DGAB c1ccc(CNCc2nc([C@H]3CCCSCC3)no2)cc1 575415027 JSQODDCRVKVUAB-AWEZNQCLSA-N 303.431 3.360 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 57028069 JRGLAGWQABWYPU-ZDUSSCGKSA-N 315.369 3.157 0 40 DGAB C[C@@H](c1ccc2ccccc2c1)N(C(=O)Cn1cncn1)C1CC1 56379370 MKYABKUHOQABMA-AWEZNQCLSA-N 320.396 3.184 0 40 DGAB COCCN1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 55504856 BWRNTYPAPOLKHM-CQSZACIVSA-N 317.429 3.293 0 40 DGAB O=C(CCN1CCC[C@@H]1c1ccc[nH]1)N1CCc2ccccc21 69557313 VMWXNPNFIYURHS-GOSISDBHSA-N 309.413 3.131 0 40 DGAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@H](c1ccc(F)cc1)N2 12469196 DQCJFQDDEQCKCN-VXGBXAGGSA-N 315.377 3.207 0 40 DGAB C[C@H](Oc1cccc2ccccc12)C(=O)NCCCn1ccnc1 13709501 UDBXBFGQJZLFNK-HNNXBMFYSA-N 323.396 3.010 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)C(C)(C)C)cc1 14404445 YEQNNGRTZXDJCC-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB Cc1cc([C@@H](O)CN2CCN(c3ccccc3)CC2)c(C)s1 19567908 MSIYAKUMDQBDDZ-SFHVURJKSA-N 316.470 3.221 0 40 DGAB C[C@@H](NC(=O)c1cc2ccc(N(C)C)cc2[nH]1)c1ccccn1 19658516 LWUFTLXIAUZUDT-GFCCVEGCSA-N 308.385 3.120 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)/C=C/c1ccco1 6012229 YYAXEACRHKTKJN-MDZDMXLPSA-N 313.353 3.346 0 40 DGAB CCCCCNC(=O)c1cccc(I)c1 5502840 LJZOZFQHOAAQMQ-UHFFFAOYSA-N 317.170 3.211 0 40 DGAB COc1ccc2[nH]cc(C(=O)N3CCCC[C@@H]3c3cc[nH]n3)c2c1 1848352351 UJEWIZLQHPONSV-QGZVFWFLSA-N 324.384 3.267 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@H]2CCCO2)CC1 1849465743 IESSAJCLHULOKE-CQSZACIVSA-N 310.825 3.005 0 40 DGAB Oc1ccc(-n2nnnc2SCc2ccc(Cl)s2)cc1 37974525 IJOBUAXXKVAQFA-UHFFFAOYSA-N 324.818 3.375 0 40 DGAB COc1ccc(C(=O)NCc2cc(-c3ccccc3)on2)cc1 21009933 TYJRMYNSHNCOMF-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CO[C@@H](CNC(=O)CSCc1ccccc1)c1ccco1 206860274 UFVHIFLGIHXSSZ-HNNXBMFYSA-N 305.399 3.017 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)Cc1c(C)nn(C)c1C 40479712 UQCHWXRKRVFUKI-OAHLLOKOSA-N 317.458 3.177 0 40 DGAB CCNC(=O)c1cccc(NC(=O)N(C)C(C2CC2)C2CC2)c1 51586276 RYWVTTJRTGBXHU-UHFFFAOYSA-N 315.417 3.089 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 260250 SQVDVDSCVDSNEV-CZUORRHYSA-N 300.402 3.122 0 40 DGAB O=C(/C=C/c1cscn1)N(CC(F)(F)F)c1ccccn1 60350746 SELWMXNACPGHDA-SNAWJCMRSA-N 313.304 3.147 0 40 DGAB O=S(=O)(CCc1ccccc1)c1nc2ccccc2s1 1609308 UDSOGJWXQZTXEP-UHFFFAOYSA-N 303.408 3.313 0 40 DGAB CC(C)(C)c1ccc(OCCC(=O)Nc2nncs2)cc1 32865672 PBQXMRFIKVIEFM-UHFFFAOYSA-N 305.403 3.243 0 40 DGAB Cc1nc(C(=O)NC(C)C)nn1-c1ccc(Cl)cc1Cl 3111135 BJVVFYLIXVADCA-UHFFFAOYSA-N 313.188 3.021 0 40 DGAB COc1ccccc1CNC(=O)c1ccc(OC(F)F)cc1 3614733 TYRIXVBPSXNLHM-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB Cc1ccc(-c2nnc3sc(NC(=O)CC(C)C)nn23)cc1 6818193 URJCTAZUAWSMMJ-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB COc1ccc(C)cc1CSc1nc2nc(C)cc(C)n2n1 7823042 MTFSPULBLBAYNL-UHFFFAOYSA-N 314.414 3.350 0 40 DGAB CN(CC(=O)NCc1cccc(Cl)c1)Cc1cccs1 7846877 NBGCGDOEIAITIM-UHFFFAOYSA-N 308.834 3.150 0 40 DGAB O=C(O)c1cc2c(cc1NCc1cccs1)OCCCO2 7986631 YGBOLPQDQODWGC-UHFFFAOYSA-N 305.355 3.220 0 40 DGAB CN(C)CCNc1nnc(-c2ccc(F)cc2)c2ccccc12 33012215 SUXIYNJKRXBDEF-UHFFFAOYSA-N 310.376 3.409 0 40 DGAB O=C(CCn1cccn1)N1C[C@@H]2CCCC[C@]21c1ccccc1 97019266 OQDISPDOWPMBQX-HKUYNNGSSA-N 309.413 3.201 0 40 DGAB CCNc1c(NC(=O)N[C@@H](C)CC)c(=O)oc2ccccc12 101094485 LHZIGWDDVSAADI-JTQLQIEISA-N 303.362 3.145 0 40 DGAB Cc1noc([C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)n1 53576457 FTORZQDECJNPHW-JTQLQIEISA-N 312.295 3.176 0 40 DGAB Cc1nc2cc(NC(=O)[C@H]3CCCO3)ccc2n1-c1ccccc1 22675192 WMEHIXOAUYIFLB-GOSISDBHSA-N 321.380 3.451 0 40 DGAB CN(C)CCOc1ccc(CNc2cnc3ccccc3n2)cc1 54060559 JKNVTJNCDFVOIZ-UHFFFAOYSA-N 322.412 3.182 0 40 DGAB CCn1c(C)nnc1COc1cc(F)cc(Br)c1 97047955 UGVMBSODGQWWFL-UHFFFAOYSA-N 314.158 3.087 0 40 DGAB C[C@]1(C(=O)N2CCO[C@@H](c3ccccc3)C2)CC1(Cl)Cl 23897025 DNQIGBLBMUXVRH-TZMCWYRMSA-N 314.212 3.170 0 40 DGAB Cc1cnn(CCC(=O)N2CCCC[C@@H]2c2nc(C)cs2)c1 72273869 AXRBGRUPNYTFBR-CQSZACIVSA-N 318.446 3.100 0 40 DGAB COc1ccc(NC(=O)CCSCc2cc(C)no2)cc1 56229720 RIXGUDPIDVWXCP-UHFFFAOYSA-N 306.387 3.254 0 40 DGAB Cc1ccc(NC(=O)[C@@H](NC[C@@H]2CCCO2)c2ccccc2)cc1 57024243 NTFKDVRIEMNYBT-OALUTQOASA-N 324.424 3.443 0 40 DGAB COc1ccc(C2=CCN(Cc3ncc(Cl)n3C)CC2)cc1 48015092 NNHMWYSXONNSTK-UHFFFAOYSA-N 317.820 3.371 0 40 DGAB NS(=O)(=O)c1ccc(-c2nc(-c3ccccc3)cs2)cc1 58173041 NSUZUOYTLTZCOS-UHFFFAOYSA-N 316.407 3.125 0 40 DGAB O=C(NCc1cccc2c1OCO2)c1sccc1C1CC1 58269169 IQNUUFLTEOKMJM-UHFFFAOYSA-N 301.367 3.284 0 40 DGAB CC(C)Cc1nc2oc3c(NN)ncnc3c2c2c1CCCC2 2210723 QHFOROYJDVLNID-UHFFFAOYSA-N 311.389 3.134 0 40 DGAB CSC1=Nc2sc3c(c2C2=NCCN12)CC(C)(C)OC3 20813476 ONVOCQVWEBSBJC-UHFFFAOYSA-N 307.444 3.026 0 40 DGAB CC(C)n1ncc2cc(NC(=O)[C@H](C)Oc3ccccc3)cnc21 12774920 CVJQDHHEHXYURD-ZDUSSCGKSA-N 324.384 3.418 0 40 DGAB COc1cc(C)c(NC(=O)c2n[nH]c3ccccc23)cc1OC 11649240 WUUUIYCCBSWNLL-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB Cc1ccccc1CNC(=O)c1ccc(NC(=O)C2CC2)cc1 12891725 QQTJZKAVTIWDBQ-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB c1cc2c(cc1-c1nnc(SC[C@H]3CCCCO3)o1)OCO2 3542816 TVGXCSMABKQMII-LLVKDONJSA-N 320.370 3.127 0 40 DGAB Cc1c(C(=O)NC2CC2)cnn1-c1ccccc1C(F)(F)F 13015358 MFEUMKPISPTBCQ-UHFFFAOYSA-N 309.291 3.092 0 40 DGAB COc1ccc(C(=O)NCCc2coc(-c3ccccc3)n2)cc1 69558772 HXIWWHNQCHOBAF-UHFFFAOYSA-N 322.364 3.323 0 40 DGAB Cc1cccc(C)c1OCCOC(=O)c1[nH]nc2ccccc12 5264172 SRDACUQHYJZXOI-UHFFFAOYSA-N 310.353 3.416 0 40 DGAB O=C(Nc1c(O)c2ccccc2[nH]c1=O)c1ccccc1Cl 6494035 LYGGJISXMJUQKF-UHFFFAOYSA-N 314.728 3.139 0 40 DGAB O=C(/C=C/c1ccsc1)NCc1ccccc1Cn1cccn1 14200668 FSXZMJMJYRZOAZ-VOTSOKGWSA-N 323.421 3.323 0 40 DGAB C[C@H](CC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 6542438 FNQAPTIBRDMRMC-CYBMUJFWSA-N 317.410 3.222 0 40 DGAB CCc1ccc2nc(NC(=O)COc3cc(C)on3)sc2c1 6785368 AAIMXSWFNPWIJX-UHFFFAOYSA-N 317.370 3.173 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1 6820731 VQBMICCEEFRRHQ-CYBMUJFWSA-N 323.396 3.035 0 40 DGAB O=C(O)CCC(=O)Nc1ccc2nc(-c3ccccc3)oc2c1 4945047 OEMUTBSCBVVHRB-UHFFFAOYSA-N 310.309 3.298 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@H](C)C(=O)NC(C)(C)C)n2)cc1 7456049 OHJGXHIYSMPNFP-LLVKDONJSA-N 318.446 3.175 0 40 DGAB Cc1ccc2nc(CN3c4ccccc4CC[C@@H]3C)cc(=O)n2c1 7494508 KWEHKTKNEWCRAU-HNNXBMFYSA-N 319.408 3.344 0 40 DGAB CC(C)(C)C(=O)CSc1nnc(-c2cccnc2)n1C1CC1 7797724 QMJHRGPEWXWUGF-UHFFFAOYSA-N 316.430 3.382 0 40 DGAB CCCN1CCN[C@H](Cc2ccccc2-c2ccccc2)C1=O 72352861 KAASVOQWBGUBOE-LJQANCHMSA-N 308.425 3.107 0 40 DGAB O=C(c1ccc2[nH]ccc2c1)N1CCN(c2ccccc2F)CC1 9306541 ALWTXHGXCNHAGV-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB O=C(Nc1cccc(F)c1)C1CCN(c2ncccc2F)CC1 84485489 NIIFGERYLGXGLQ-UHFFFAOYSA-N 317.339 3.215 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)N(C)Cc1ccncc1 71883802 VTZHTUZFFIELRL-UHFFFAOYSA-N 321.384 3.240 0 40 DGAB CC[C@@H](NC(=O)N1CCSC(C)(C)C1)c1ncc(C)s1 83733798 HDBHSFVXAVVJPZ-LLVKDONJSA-N 313.492 3.440 0 40 DGAB CCN(Cc1cccc2c1OCO2)C(=O)[C@H]1C[C@H]1c1ccco1 95397001 QQGMPIPCJMNRNB-KGLIPLIRSA-N 313.353 3.161 0 40 DGAB CCCOc1cccc(N[C@H]2CCN(CC(F)(F)F)C2=O)c1 71908373 PBDZNENSNMPPHZ-ZDUSSCGKSA-N 316.323 3.051 0 40 DGAB CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@@H](C)c1ccccc1OC 95459137 FSOYWSRXIMLBTH-SOUVJXGZSA-N 304.434 3.135 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)N(C)Cc1nc2ccccc2o1 84022959 HIWWCCBUDSCQEA-JTQLQIEISA-N 313.357 3.195 0 40 DGAB CN(C)c1nc(CN[C@@H]2CSCCc3ccccc32)cs1 95423556 HMKBVOIFRNBYIX-OAHLLOKOSA-N 319.499 3.329 0 40 DGAB C[C@@H](C(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1F 95427683 LAONNMDOBIDHHD-LLVKDONJSA-N 301.317 3.195 0 40 DGAB O=C(Cc1ccon1)N[C@H](c1ccccc1F)C1CCCC1 88251043 XJJVWNQVJNOVCX-KRWDZBQOSA-N 302.349 3.404 0 40 DGAB Cc1cc(N2CCS(=O)CC2)c2cc(Cl)cc(C)c2n1 95961974 ANKITDFTHCKKJE-UHFFFAOYSA-N 308.834 3.074 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCOC1)[C@@H](C)c1ccccc1C(F)(F)F 95980701 BFCCLRDASYFXPV-GRYCIOLGSA-N 315.335 3.350 0 40 DGAB CCCn1c(C)nnc1CNC1(c2cccc(Cl)c2)CC1 95985318 IVOWZEGABMEUDM-UHFFFAOYSA-N 304.825 3.429 0 40 DGAB COCc1ccc(CNc2cccc(C[S@@](C)=O)c2)cc1 89420339 DQWGYIYHZJCAQA-NRFANRHFSA-N 303.427 3.324 0 40 DGAB Cc1cc(NC(=O)c2cnn(CC(C)C)c2C(F)F)sn1 89505885 QKGQASNZYJLEEH-UHFFFAOYSA-N 314.361 3.494 0 40 DGAB Cc1ccc2oc(N[C@H](C(N)=O)c3ccc(Cl)cc3)nc2c1 75145867 TWLACNPHDNKPSI-AWEZNQCLSA-N 315.760 3.428 0 40 DGAB CCN(CCC(F)(F)F)C(=O)Cc1ccc(O)cc1Cl 89969187 AHDVFQVLEQHSFS-UHFFFAOYSA-N 309.715 3.389 0 40 DGAB Cc1cc(CNC(=O)N[C@H](c2ccccc2C)C(C)C)no1 69932332 JRLAZYJHDROPEU-INIZCTEOSA-N 301.390 3.488 0 40 DGAB C[C@@H]1CC(=O)c2cn3nc(SCc4ccccc4)nc3nc2C1 20632276 SBXDIHTXBVFGKB-NSHDSACASA-N 324.409 3.182 0 40 DGAB COc1ccc(Cl)cc1CN(C)Cc1ccc(C(=O)O)o1 515491256 ZEVHQWWIIUZMKU-UHFFFAOYSA-N 309.749 3.272 0 40 DGAB CCOc1ccccc1NC(=O)C(=O)NC1CCC(CC)CC1 73743335 WBQGQGGBGWRGGQ-UHFFFAOYSA-N 318.417 3.109 0 40 DGAB CC(C)C[C@H](C(=O)N1CC[C@@]2(O)CCCC[C@@H]2C1)n1cccc1 524729026 JHWNECDRCUHGEB-LMMKCTJWSA-N 318.461 3.229 0 40 DGAB biogenic COc1cccc(CNC(=O)c2cc(-c3cccs3)[nH]n2)c1 72328241 RGHPCNTWDDANGU-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C)C2)nc(N2CCCCCC2)n1 72241512 ASZMQYRZVDSUAE-AWEZNQCLSA-N 316.449 3.038 0 40 DGAB Cc1nnc(SCC(=O)Nc2cc(Cl)cc(Cl)c2)o1 33652937 KQGCBRYUSQHNCU-UHFFFAOYSA-N 318.185 3.416 0 40 DGAB COc1cccc(C2(NC(=O)c3cnsc3)CCCC2)c1 72346502 QOQRRMZLFMLIRT-UHFFFAOYSA-N 302.399 3.351 0 40 DGAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCC)c(C(=O)OC)c1 225794637 ZFIZNOBONLUFGZ-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB CSc1ccccc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 40107574 MJKYGBUBLWJEDC-ZIAGYGMSSA-N 306.475 3.116 0 40 DGAB O=C(O)CCCc1nc(-c2ccc(C(F)(F)F)cc2)no1 89262288 QADKKZDQOKKNQI-UHFFFAOYSA-N 300.236 3.163 0 40 DGAB CCOc1ccccc1C[C@H](Oc1cccc(C)c1)C(=O)O 225103803 KOGZYYNTJQKFOV-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB O=C(OC1CCCCCC1)c1snnc1-c1cccnc1 223849973 XNSUAKOFQWKXTE-UHFFFAOYSA-N 303.387 3.480 0 40 DGAB CC1(C)Oc2cc(NC(=O)NC3CCCCC3)ccc2NC1=O 46088662 JVYVEOJXRXJKFY-UHFFFAOYSA-N 317.389 3.250 0 40 DGAB COc1cc(NC(=O)NCc2ncccc2C)ccc1Cl 194411172 JINVYUIXDQGORV-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB CC(C)Oc1cccc(C(=O)Nc2cc(N)ccc2N(C)C)c1 226261509 XMSBYEMRSOIUCD-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB COc1ccccc1C[C@H](Oc1ccccc1Cl)C(=O)O 225096312 HOHUPIUFMAGINK-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB C[C@@H]1CN(C(=O)c2cnn(C3CC3)c2)CC[C@H]1c1ccccc1 528663658 HYJLQEVDVFPWNG-RDTXWAMCSA-N 309.413 3.484 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)CCC1CCCCC1 224292010 MKCQOYRBBOJTBO-UHFFFAOYSA-N 304.438 3.458 0 40 DGAB Cc1ccc(CN2CC[C@]3(c4ccccc4)CCN(C)[C@@H]3C2)o1 96100377 KPSAMBPHSBLLJS-UXHICEINSA-N 310.441 3.436 0 40 DGAB c1ccc(COC[C@@]23CCC[C@@H]2CN(Cc2ccncc2)C3)nc1 96111046 FXGIZQVKPNJGSJ-QUCCMNQESA-N 323.440 3.296 0 40 DGAB CC(C)CCN1CC[C@@]2(CCCN(Cc3nccs3)C2)C1 96215834 QRUMDJVNZUFVSN-KRWDZBQOSA-N 307.507 3.477 0 40 DGAB Cc1csc([C@H](NC(=O)[C@@H]2COc3ccccc32)C2CC2)n1 96425452 GJOCOTGRNJMVQU-UKRRQHHQSA-N 314.410 3.195 0 40 DGAB CCc1cnccc1C(=O)N1CC[C@H](Oc2ccc(F)cc2)C1 96502529 UIXQCWGCKXETBR-INIZCTEOSA-N 314.360 3.077 0 40 DGAB CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4C[C@]3(CC[C@@H]12)C[C@]4(O)CO 1077995399 JRMZVZSBORMZSD-XKBPDVHJSA-N 322.489 3.113 0 40 DGAB biogenic CC(=O)Nc1ccccc1SCC(=O)N[C@H]1C[C@H]2CC[C@H]1C2 250753505 HLGFQGMPMNRGQT-YDHLFZDLSA-N 318.442 3.042 0 40 DGAB C1=C(CN2CCC[C@H](Cc3ccn[nH]3)C2)COc2ccccc21 257232314 GKIILHVYIYFKAB-OAHLLOKOSA-N 309.413 3.140 0 40 DGAB CO[C@](C)(C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)C1CC1 293178199 HIAQXVCOPARACG-KRTXAFLBSA-N 322.352 3.154 0 40 DGAB O=C(O)[C@@H]1CCCCN1Cc1ncc(-c2ccccc2)s1 560927991 UGDBRULQYHEJTH-ZDUSSCGKSA-N 302.399 3.249 0 40 DGAB Cc1ccc(OC[C@@]2(O)CCCN(C3CCC3)CC2)c(C)c1 585281000 CYXAMIJGQBWKAO-LJQANCHMSA-N 303.446 3.452 0 40 DGAB COc1ccccc1N1CCN(c2ncc(Cl)cc2F)CC1 301579119 ZUPNEYSGDUCCNK-UHFFFAOYSA-N 321.783 3.209 0 40 DGAB COc1cc(NC(=O)c2cccnc2)ccc1Br 96445115 ZZFDOKTVKDQWOW-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB c1ccc(-n2nnnc2COc2ccc3ccccc3c2)cc1 5234649 NNNZHWYLMAPTGM-UHFFFAOYSA-N 302.337 3.395 0 40 DGAB COc1ccc(C2=NO[C@@H](C(=O)N[C@@H](C)c3ccccc3)C2)cc1 5029187 OZLYVCLYJVPMOE-SCLBCKFNSA-N 324.380 3.066 0 40 DGAB Cc1ccc2cc3c(nc2c1)OCC(=O)N(Cc1ccco1)C3 12113092 PYSOZDGSXRVTIA-UHFFFAOYSA-N 308.337 3.057 0 40 DGAB Cc1ccccc1CS(=O)(=O)N1c2ccccc2C[C@H]1C 13671638 CTAMZIIVWOVDNH-CQSZACIVSA-N 301.411 3.276 0 40 DGAB COc1ccc(-c2nc(=O)c(-c3ccc(Cl)cc3)n[nH]2)cc1 16940199 RYLYAJUFYQBCMS-UHFFFAOYSA-N 313.744 3.161 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)Cc3cccc(C)c3)ccc21 17289081 KUAOLZGPGHRHEH-UHFFFAOYSA-N 322.408 3.475 0 40 DGAB Cc1cc(C)nc([C@]2(C)CCCN2C(=O)c2ccccc2F)n1 607853305 JCXJUIKFDGQIPL-SFHVURJKSA-N 313.376 3.384 0 40 DGAB CCOC(CNc1nc(C)nc2sc3c(c12)CCC3)OCC 6049525 FRGROEQWUHBPIJ-UHFFFAOYSA-N 321.446 3.299 0 40 DGAB CSc1cccc2sc(N3CCC4(CC3)OCCO4)nc12 1888941630 JNXANWAAADBPDS-UHFFFAOYSA-N 322.455 3.362 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@@H]2CCCCO2)CC1 1889079646 TZFDBWINUPWYHU-HNNXBMFYSA-N 324.852 3.395 0 40 DGAB c1ccc(N2C[C@H]3CCN(c4nsc5ccccc45)[C@H]3C2)nc1 1889191883 LDRUHRUHKXMAHL-HIFRSBDPSA-N 322.437 3.406 0 40 DGAB O=C(NCc1cccs1)C1(c2ccc(F)cc2)CCOCC1 16985937 DPJPGJHXDQSPBJ-UHFFFAOYSA-N 319.401 3.252 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2cc3c4c(c2)CCN4C(=O)CC3)c1 5153402 OXYKULWRRMMYMK-UHFFFAOYSA-N 320.392 3.391 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCc1ccsc1 13724433 WIFRXQWIKIGTHB-UHFFFAOYSA-N 322.817 3.007 0 40 DGAB Cc1ccc(C)c(N2CCN(C[C@H](O)c3ccccc3)CC2)c1 20218750 NNJNIYZMPZKFSB-FQEVSTJZSA-N 310.441 3.159 0 40 DGAB C[C@@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1nc2ccccc2o1 40497996 NHQBTAPNAITEKI-TZMCWYRMSA-N 321.380 3.196 0 40 DGAB COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1OC 193511 IHMLKNCCBHBCAT-UHFFFAOYSA-N 318.398 3.291 0 40 DGAB CCN(C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C)c1cccc(C)c1 352784 GETLWFGYMLNIOV-MOPGFXCFSA-N 315.413 3.470 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)COC(=O)c2cccn2C)cc1 2648952 AWMVBRQHLFMVHD-ZDUSSCGKSA-N 314.385 3.334 0 40 DGAB CCOC(=O)c1cccc(N(CC)C(=O)c2cncc(C)c2)c1 76065593 INROFSDRGYJKGH-UHFFFAOYSA-N 312.369 3.233 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2)cc1Cl 3620359 DUVNYLUVERMLMX-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CSCCC(=O)NCc1ccc(OCc2cccnc2)cc1 32930999 JHTGSNTUJRRARN-UHFFFAOYSA-N 316.426 3.030 0 40 DGAB C/C=C1\CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc12 4824951 VBKQRUUVDAWDIP-OYYJBKRWSA-N 310.397 3.014 0 40 DGAB CSc1nc2ccccc2n1CC(=O)NCC1CCCCC1 6314360 DBJZRMQOOWUQDJ-UHFFFAOYSA-N 317.458 3.455 0 40 DGAB CN(CCCc1ccccc1)C(=O)c1cc2ccccc2c(=O)[nH]1 46639822 OYYJPVNHVRDVKD-UHFFFAOYSA-N 320.392 3.233 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 21974060 OVPSNVOVWJUUKM-UHFFFAOYSA-N 322.408 3.459 0 40 DGAB COc1cc(/C=C/C(=O)NCc2ccc(F)cc2)cc(OC)c1 7956534 YVHRZVBSUVJHKO-VMPITWQZSA-N 315.344 3.173 0 40 DGAB Cc1ccc(C(=O)Nc2ncn(Cc3ccccc3C)n2)cc1 2794820 JZPMGZZJEFFCGS-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@@H](c1ccccc1Cl)N2 531561 ATXKPAOARXCWDG-RYUDHWBXSA-N 315.764 3.253 0 40 DGAB CC(C)c1ocnc1CN[C@H](C)c1ccc2c(c1)OCCO2 97033015 DXDLHVQTBGKEPZ-GFCCVEGCSA-N 302.374 3.420 0 40 DGAB Cc1cc2c(nc1C)sc1c(NC[C@H]3CCCO3)ncnc12 12389326 AMJOZESEVHRWMD-LLVKDONJSA-N 314.414 3.447 0 40 DGAB O=C(CCc1cccs1)Nc1ccc(N2CCOCC2)cc1 9477887 JDSLAROVZWPQHV-UHFFFAOYSA-N 316.426 3.156 0 40 DGAB CCCC[C@H](CC)CNC(=O)CCC(=O)Nc1cccnc1 23343342 QWSLSEQISUPSJB-AWEZNQCLSA-N 305.422 3.133 0 40 DGAB CSc1ccc(/C=C(/Sc2nc(C)n[nH]2)C(=O)O)cc1 1274134 VPVLYMDRJUFCCS-YRNVUSSQSA-N 307.400 3.053 0 40 DGAB COc1cccc(Cn2c(=O)c3ccccc3n3nc(C)cc23)c1 1395036 WCCOELBOBWGEFZ-UHFFFAOYSA-N 319.364 3.015 0 40 DGAB CNc1nc(SCc2nnsc2Cl)nc2ccccc12 25062817 KVQBHHNGTHDDFC-UHFFFAOYSA-N 323.834 3.469 0 40 DGAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1cc(C)ccc1C 25178446 NITOOXMZNGSLKK-UHFFFAOYSA-N 309.365 3.293 0 40 DGAB COc1ccc(-n2nnnc2/C=C\Nc2ccc(C)cc2)cc1 100209660 WWMJNPCDUHAWFQ-QXMHVHEDSA-N 307.357 3.062 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 12599919 XSYDASDJHIEZEW-IIAWOOMASA-N 303.402 3.093 0 40 DGAB COc1ccc(S(=O)(=O)NC2CCCCCC2)c(C)c1C 26843388 FTEASSQPMGLZLN-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1ccccc1F 3255965 OPVLIBPKGVKUPO-JTQLQIEISA-N 320.751 3.236 0 40 DGAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(C)n1)NCC2 20494358 LEEUVQZTYQCXTA-IBGZPJMESA-N 312.413 3.423 0 40 DGAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)c1nnc2n1CCC2 44934436 KKMRWHPEQDOBDZ-LBPRGKRZSA-N 312.417 3.013 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@H]1CCc2cc(Cl)ccc21 58393343 PMZNLUVXQLVCPI-INIZCTEOSA-N 318.852 3.225 0 40 DGAB CCCCCNC(=O)C(=O)Nc1cccc(Cl)c1Cl 2252421 PUTIOQSUFCQCDC-UHFFFAOYSA-N 303.189 3.238 0 40 DGAB C[C@@H](NC(=O)Oc1ccccc1)C(=O)NC1CCCCCC1 408736723 GFOXMXAZEASCER-CYBMUJFWSA-N 304.390 3.003 0 40 DGAB Cc1cc(Cl)c(Cl)cc1S(=O)(=O)N1CCCCC1 36636373 WGNOWJQMAABAKQ-UHFFFAOYSA-N 308.230 3.476 0 40 DGAB COC[C@@H](C)NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 45873193 ZECCBUGGERQJFD-CYBMUJFWSA-N 317.385 3.039 0 40 DGAB Cc1ccc(C(=O)O[C@@H](c2nccn2C)C(F)(F)F)s1 8425267 VLZRESUNLZIXRQ-VIFPVBQESA-N 304.293 3.250 0 40 DGAB CSCC(=O)NCc1ccc(CN2C[C@@H](C)C[C@H](C)C2)cc1 48310691 HVBBBHVIJWNYEM-GJZGRUSLSA-N 320.502 3.144 0 40 DGAB O=C1O[C@@H](c2ccccc2Cl)c2cc3c(cc21)OCCO3 12858444 VWBYYLQAYZNVBB-HNNXBMFYSA-N 302.713 3.371 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)C3CCCC3)co2)cc1 69513069 YUIYPHCZLHKJSU-UHFFFAOYSA-N 314.385 3.199 0 40 DGAB COc1ccc([C@@H](C)NCc2cccc3c2OCO3)cc1OC 48785692 BGFWCRWWPCBHIF-GFCCVEGCSA-N 315.369 3.283 0 40 DGAB O=c1[nH]c(CN2CC[C@H](c3cccc(F)c3)C2)nc2ccccc12 69615483 UTCWAKBHPCNIGU-AWEZNQCLSA-N 323.371 3.052 0 40 DGAB Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cc1F 13389972 GFKDJKUYDJIMMI-LBPRGKRZSA-N 307.346 3.141 0 40 DGAB O=C(CSc1nnc2ccccn12)c1ccc2c(c1)CCC2 6114792 MGODUJMPOQVDLN-UHFFFAOYSA-N 309.394 3.193 0 40 DGAB CCCNC(=O)Cn1c(COc2ccccc2)nc2ccccc21 5185977 WJISKKBBAZWOEK-UHFFFAOYSA-N 323.396 3.142 0 40 DGAB S=C(NCc1ccco1)N[C@@H]1CCSc2ccccc21 5239562 RDRBFADAMCXCCN-CYBMUJFWSA-N 304.440 3.481 0 40 DGAB Cc1nc(N2CCCC[C@H]2C(=O)O)c2oc3ccccc3c2n1 5278221 YJUCOSVGAORSMJ-LBPRGKRZSA-N 311.341 3.128 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1CCOc1ccccc1 5253475 ZMESTFDZUNNNHH-UHFFFAOYSA-N 300.745 3.129 0 40 DGAB C[C@@H](Sc1nccn1C)C(=O)N[C@@H]1CCCc2ccccc21 5359412 HBCXOMCCIIVBTL-IUODEOHRSA-N 315.442 3.095 0 40 DGAB CCCCOCCCNC(=O)c1cc2cc(C)ccc2n1C 4711997 CRURBZWYYJCWNI-UHFFFAOYSA-N 302.418 3.423 0 40 DGAB CN(C)CC(C)(C)CNC(=O)Cc1c(Cl)cccc1Cl 7406536 RUEQKZLYTOYJMX-UHFFFAOYSA-N 317.260 3.240 0 40 DGAB O=C(Nc1cccc2ncccc12)c1cnc2ccccc2n1 8920015 XUSJJMNYKBWRMZ-UHFFFAOYSA-N 300.321 3.430 0 40 DGAB Cc1ccc(CN2C[C@@H](C(=O)Nc3ccccc3C)CC2=O)cc1 7609696 OPMSXOXGLJXIEP-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB O=S(=O)(NCc1ccco1)c1cc(Cl)cc(Cl)c1 16087119 HPUZZQRQQSRFRF-UHFFFAOYSA-N 306.170 3.065 0 40 DGAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)CCCC2 8059584 HPTDIWOMSXKODQ-UHFFFAOYSA-N 321.467 3.448 0 40 DGAB CCCn1cc(N[C@@H](C)C(=O)Nc2ccc(C)cc2F)cn1 97140097 VLNGMGGDLQPVNO-LBPRGKRZSA-N 304.369 3.180 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1ccncc1F 97145641 XRCZSBFOKDOOIH-ZDUSSCGKSA-N 314.360 3.079 0 40 DGAB O=C([C@@H]1CCCN(c2ccccn2)C1)N1CC[C@@H]1c1ccccc1 71827029 OTXQMEFLURICLZ-QZTJIDSGSA-N 321.424 3.272 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)[C@H](C(N)=O)c1ccccc1 96993566 UNBPZTADVNKPEJ-HNNXBMFYSA-N 322.330 3.364 0 40 DGAB CC[C@@H]1CN2CCC[C@@H]2CN1Cc1cnc(CC(C)C)s1 95468633 QGSLXSGUZBEJMH-HUUCEWRRSA-N 307.507 3.400 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@H](O)c2cccs2)o1 95434451 RMSQIGHSCVALOM-IQZILYQHSA-N 305.399 3.291 0 40 DGAB C[C@H](CNC(=O)N[C@H](C)C[C@@H](O)c1ccco1)c1ccsc1 95413575 FZULUSGSOIJSDA-YRGRVCCFSA-N 322.430 3.256 0 40 DGAB NC(=O)[C@@H](Sc1ccncc1)c1cccc(Br)c1 95978042 OKINCQWKQGCQGK-LBPRGKRZSA-N 323.215 3.163 0 40 DGAB COc1cc(C(C)=O)ccc1OC(=O)[C@H]1C[C@@H]1c1ccco1 89292126 LSYAZTFGZMIJGI-STQMWFEESA-N 300.310 3.200 0 40 DGAB CN(C(=O)Cc1ccc2c(c1)OCO2)[C@H]1CCCc2ccccc21 89335033 FVXCXZCICHFYMF-KRWDZBQOSA-N 323.392 3.494 0 40 DGAB COc1ccc(Cl)cc1[C@@H](C)NCc1nncn1C1CC1 89671789 PJHOAKLSHNLKDK-SNVBAGLBSA-N 306.797 3.126 0 40 DGAB COc1ccccc1N1CC[C@@H](CNc2nc(C)cc(C)n2)C1 75572986 HYXKGKYTYVFTJT-HNNXBMFYSA-N 312.417 3.040 0 40 DGAB CCOCCCNC(=O)c1ccc(COc2ccccc2C)o1 32647859 OHGGMLXSHHOIRL-UHFFFAOYSA-N 317.385 3.323 0 40 DGAB CCCCN1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 35042186 OGMSJAFGSRCIOA-FMIVXFBMSA-N 305.355 3.221 0 40 DGAB O=C(NCCc1ncc2ccccn12)Nc1cccc(Cl)c1 31773132 NQGVDHXKXHSRQT-UHFFFAOYSA-N 314.776 3.352 0 40 DGAB Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccc([S@](C)=O)cc1 211272071 BHZWPJKSKUHWQP-ZSDNHXBWSA-N 320.458 3.483 0 40 DGAB CC(C)(C)c1nc(CNc2nnc([C@@H]3CCCO3)o2)cs1 181970229 GIXUXDZHAFDBAI-JTQLQIEISA-N 308.407 3.287 0 40 DGAB Cc1cccc([C@H](C)Sc2nnc(C3CCOCC3)n2N)c1 79038793 GHESLVZUOBYLMW-LBPRGKRZSA-N 318.446 3.048 0 40 DGAB CN(Cc1oc(-c2ccccc2)nc1C(=O)O)CC(F)(F)F 563277744 KSZNUOSEKXLZKT-UHFFFAOYSA-N 314.263 3.034 0 40 DGAB O=C(Nc1cccc(CCCc2ccccc2)c1)N1CC(CO)C1 192211539 NJHLRZGCNPFZME-UHFFFAOYSA-N 324.424 3.318 0 40 DGAB O=C(NCCc1ccccc1)c1ccc2nc(Cl)oc2c1 225977294 SWYTXDFMMNTZIP-UHFFFAOYSA-N 300.745 3.454 0 40 DGAB O=C(Nc1nccs1)N[C@@H]1CCCN(c2ccccc2F)C1 135445998 IRWCPJOIEKVEJD-LLVKDONJSA-N 320.393 3.073 0 40 DGAB O=c1n(Cc2ccc(F)cc2)nc(C2CC2)n1-c1ccccc1 75165364 JFVPOZFDJHMLSD-UHFFFAOYSA-N 309.344 3.099 0 40 DGAB C[C@H](CNC(=O)NCc1cccnc1)Oc1ccccc1Cl 80641616 TYNBEKMIEFBBQZ-GFCCVEGCSA-N 319.792 3.002 0 40 DGAB Cc1ccc(C)c([C@@H]2CN(CCCCC(=O)O)[C@@H](C)CO2)c1 225574849 GJZGDJOMMCPCAT-RDJZCZTQSA-N 305.418 3.320 0 40 DGAB Cn1c(C(=O)N2CCCC[C@H]2CCC(=O)O)cc2ccccc21 237711540 KWTJIDJHNYPNJX-AWEZNQCLSA-N 314.385 3.038 0 40 DGAB CC(C)n1ccc(C(=O)N2c3ccccc3N(C)CC[C@@H]2C)n1 96425358 CXZWBHKKUVPAMP-AWEZNQCLSA-N 312.417 3.339 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1Br 96476198 KCUBIWPBIIFGOH-SSDOTTSWSA-N 321.602 3.259 0 40 DGAB c1coc(CN2CCC3(CC2)C[C@H](OCC2CCC2)CO3)c1 96207062 QFJNBRDTAJTAAW-KRWDZBQOSA-N 305.418 3.220 0 40 DGAB Cc1ccc(-c2cn3c(n2)CO[C@@H](CNC2CCCC2)C3)cc1 96269345 UWUKXMBCNASCBT-KRWDZBQOSA-N 311.429 3.290 0 40 DGAB biogenic,in-vitro CC1(C)OC[C@@H]2C[C@]21NC(=O)Nc1ccc(F)c(C2CC2)c1 529094205 CTKADJJWKCMQRU-GTNSWQLSSA-N 304.365 3.392 0 40 DGAB COC(=O)c1cccc(-c2noc([C@@H]3CCO[C@H]3C(C)C)n2)c1 252481328 CJBCRDJQDMVBDT-KGLIPLIRSA-N 316.357 3.052 0 40 DGAB CCC(CC)n1ncc(C(=O)N[C@@H](C)c2nccc(C)n2)c1C 585088150 MQZLSLVJDAABQT-LBPRGKRZSA-N 315.421 3.142 0 40 DGAB CC[C@@H]1CCCCN1c1nn(-c2cccc(C)c2)nc1C(=O)O 256046788 ICFOQFWRLMCWKF-CYBMUJFWSA-N 314.389 3.043 0 40 DGAB Cc1cccc(CN2CCC(c3cccc4nccn34)CC2)n1 257290306 QCIOBPCQDDLUSA-UHFFFAOYSA-N 306.413 3.417 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](Cc2ccn[nH]2)C1 257342850 ZQJGJUPOBAYJFC-LBPRGKRZSA-N 315.442 3.055 0 40 DGAB O=C(Cc1cccc(Br)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 260803007 WFXXKTITUNIKBL-SGMGOOAPSA-N 308.219 3.296 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1nn(C)c2ccccc12 96097190 JTHVQJFVVVEYDE-AWEZNQCLSA-N 307.397 3.324 0 40 DGAB CCOCC[C@H]1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2 575404852 QDZWHDNIJFRNCD-INIZCTEOSA-N 317.429 3.043 0 40 DGAB O=C(Nc1nc([C@H]2CCCN2)cs1)c1cccc(Cl)c1 585266815 QDQCZBJXMBFPFR-LLVKDONJSA-N 307.806 3.473 0 40 DGAB O=C(Nc1ccc(-n2nccc2C(F)(F)F)cc1)c1ccc[nH]1 64311330 OKFXQQGCHYWMSW-UHFFFAOYSA-N 320.274 3.472 0 40 DGAB Cc1ncsc1-c1nnc(N2CC[C@@](C)(F)C2)n1CC(C)C 563122389 DEENWFJYCHNORS-OAHLLOKOSA-N 323.441 3.304 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc(N(C)C(C)=O)cc2)cc1 70766 HWIHWGFLRIHREU-AWNIVKPZSA-N 324.380 3.330 0 40 DGAB CCOc1ccc([C@@H](CC(=O)O)NC(=O)c2ccccc2)cc1 5686504 PSIQYMQAEJPPNC-MRXNPFEDSA-N 313.353 3.031 0 40 DGAB CN(C)CCCNc1ncc(-c2ccncc2)c(-c2ccoc2)n1 12222333 JNQQYFWCCUKCEA-UHFFFAOYSA-N 323.400 3.162 0 40 DGAB CC(C)N1C(=O)c2ccccc2[C@]1(O)c1ccc2ccccc2n1 16575402 AEDJAQNYOSPMSG-FQEVSTJZSA-N 318.376 3.292 0 40 DGAB CC(C)c1cc(C(=O)N2CC[C@@]3(C)[C@@H]2CCCCCN3C)n[nH]1 19713410 NERDEACOGPEUBI-WMZOPIPTSA-N 318.465 3.012 0 40 DGAB Cc1nc2ccc(C(=O)N(C)CCN3CCCCC3)cc2s1 19717601 XAPZPYZUGYXRKU-UHFFFAOYSA-N 317.458 3.163 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)c2ccsc2)cc1 9497551 GKQMMOUSDRFOAJ-UHFFFAOYSA-N 302.399 3.482 0 40 DGAB C[C@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCSCC2)C1 1889138906 FXIMIWBQKOOTRB-WBVHZDCISA-N 318.486 3.035 0 40 DGAB O=C(O)CCC(=O)Nc1ccccc1-c1nc2ccccc2[nH]1 5531376 DWBWUSFWAOBRHC-UHFFFAOYSA-N 309.325 3.033 0 40 DGAB Clc1ccc(Cn2nnc(-c3cccnc3)n2)c(Cl)c1 12374848 DWJTXNHUOOLIDN-UHFFFAOYSA-N 306.156 3.090 0 40 DGAB Cc1csc(C(=O)NC[C@@H](c2ccsc2)n2cccn2)c1 575614431 SMGYGAHIYMDFQD-ZDUSSCGKSA-N 317.439 3.334 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)NC1CCCC1 585148058 CZUNHOKMMKHVDS-INIZCTEOSA-N 314.385 3.222 0 40 DGAB O=C(Nc1nc(-c2cccc(F)c2)cs1)C1CCOCC1 40468208 VFXCBLQEDWEJQR-UHFFFAOYSA-N 306.362 3.314 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cccc(N3CC=CC3)c2)c1 101226143 OZSYOLJVCMNXPI-UHFFFAOYSA-N 321.380 3.274 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@@H]1c1cccs1 32727719 WEQIEBHSYIQJEV-OAHLLOKOSA-N 324.409 3.306 0 40 DGAB C[C@@H](CNC(=O)NCc1cccnc1)Sc1ccccc1 76066465 LYUGHYSJZALEMR-ZDUSSCGKSA-N 301.415 3.062 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)c2c[nH]c3ccccc23)cc1 32738091 BCUHLCKQBDVCIX-UHFFFAOYSA-N 307.353 3.122 0 40 DGAB COc1ccc(S(=O)(=O)N2[C@@H](C)CCC[C@H]2C)cc1Cl 1368065 UCLUJNBRMZFUKI-PHIMTYICSA-N 317.838 3.300 0 40 DGAB O=C(NCC(F)(F)F)c1cc(C2CC2)nn1-c1ccccc1 8316205 MOXACQCABWGCOK-UHFFFAOYSA-N 309.291 3.042 0 40 DGAB CC[C@@H](OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 2694572 NKYWMAGCRMHOMJ-UKBAYJJMSA-N 305.462 3.493 0 40 DGAB CCCCN1C(=O)S[C@H](Cc2cc(OC)ccc2OC)C1=O 6647698 MIRCLCUSDLQDIX-CQSZACIVSA-N 323.414 3.110 0 40 DGAB O=[N+]([O-])c1ccc(/C=N/Nc2ccc(C(F)(F)F)cn2)o1 7008878 LPKMABYLDAPUQS-OMCISZLKSA-N 300.196 3.048 0 40 DGAB CCCOc1c(C(=O)Nc2ccccc2)nnn1-c1ccccc1 8755175 SROBDXAHEYALOK-UHFFFAOYSA-N 322.368 3.308 0 40 DGAB C[C@H](NC(=O)CCOc1cccc(Cl)c1)c1ccccn1 41774213 OPDJGKWUFPHRNN-LBPRGKRZSA-N 304.777 3.381 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)o1 22246122 PGYRRVXPMAXMLS-ABAIWWIYSA-N 323.389 3.363 0 40 DGAB C[C@@H](CNC(=O)c1ccc(F)cc1Cl)N1CCC[C@@H](C)C1 46953653 VBTKLWXJTQZEFS-NEPJUHHUSA-N 312.816 3.329 0 40 DGAB Fc1ccc(NC(=S)NC2C[C@@H]3CC[C@@H](C2)N3C2CC2)cc1 100422892 GLRBSMHCJKBRGT-HOTGVXAUSA-N 319.449 3.270 0 40 DGAB O=C(CCNC(=O)c1ccccc1)OC/C=C/c1ccccc1 22663808 YKTKZDOXUXIYEF-JXMROGBWSA-N 309.365 3.063 0 40 DGAB CC[C@H](C(=O)OCc1csc(NC(C)=O)n1)c1ccccc1 22747084 UBUASBQAVUTLQG-AWEZNQCLSA-N 318.398 3.339 0 40 DGAB Cc1ccc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)nc1 12522923 KBALYIAAKQBPEX-MRXNPFEDSA-N 312.369 3.200 0 40 DGAB COc1cc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 105871712 VZWLKLBSQYRGSV-OBJOEFQTSA-N 320.458 3.487 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@H]1Cc2ccccc2O1 24887157 ITRFEMLBDRWMSY-QGZVFWFLSA-N 305.337 3.019 0 40 DGAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccccc2F)NC3=O)c1 1404803 XFKWQINMNXSJDT-MRXNPFEDSA-N 323.327 3.057 0 40 DGAB Cc1ccc(NCc2cc(=O)n3cc(Cl)ccc3n2)cc1F 25601603 ORUUIQZFGWBKKY-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB Cc1ccc(C[C@@H](CC(=O)NC2CCCCC2)C(=O)O)cc1 35141876 UJRVYOJSKPTIKX-HNNXBMFYSA-N 303.402 3.077 0 40 DGAB Cc1cc(C)nc(-n2nc(-c3ccccc3Cl)cc2O)n1 101176381 FVWAVYBZYOPHST-UHFFFAOYSA-N 300.749 3.305 0 40 DGAB C[C@H]1CN(C(=O)OC(C)(C)C)CCN1[C@H](C)c1nccs1 100423264 SEXLBIWUBJNGCC-NWDGAFQWSA-N 311.451 3.145 0 40 DGAB Cc1csc(N2CCC[C@H](C(=O)N(C)C3CCCCC3)C2)n1 58162862 NOCBTXYGGOQVOW-AWEZNQCLSA-N 321.490 3.459 0 40 DGAB CCn1c(CN(C)C(=O)c2ccccc2OC)nc2ccccc21 58290768 VCTGRYFLZAJVIQ-UHFFFAOYSA-N 323.396 3.337 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@@H](C)Cn1ccnc1 48247913 ZFJQHVKMFJQIGD-AWEZNQCLSA-N 320.396 3.072 0 40 DGAB Cc1oc(-c2ccco2)nc1CC(=O)N1CCc2ccccc21 58329200 IFPDBDJPMRIIBF-UHFFFAOYSA-N 308.337 3.375 0 40 DGAB O=C(NCCc1ccccc1)c1snnc1-c1ccccc1 36354778 JSCCNSXINDADDY-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)nc1 28665581 NTXYETQRVQHOTL-GFCCVEGCSA-N 322.286 3.354 0 40 DGAB Cc1nc2cc(F)cc(C(=O)Nc3nccs3)c2nc1C 48379354 OHZKBLORLIDDSR-UHFFFAOYSA-N 302.334 3.095 0 40 DGAB C[C@H](OC(=O)c1ccc(F)cc1F)C(=O)Nc1ccccc1 3435101 AFONVJWZJHYSEY-JTQLQIEISA-N 305.280 3.149 0 40 DGAB c1ccc2c(c1)CCC[C@H]2NCc1cnc(N2CCCC2)nc1 48680987 ZDJMXCXAQOMDFI-GOSISDBHSA-N 308.429 3.244 0 40 DGAB COc1ccccc1-c1nc2c3ccccc3nc(S)n2n1 13113940 ZABBZWKBPNECBQ-UHFFFAOYSA-N 308.366 3.242 0 40 DGAB C[C@H](Oc1ccccc1Br)C(=O)NCc1ccco1 13328598 KUHPJOUBQBDDLJ-JTQLQIEISA-N 324.174 3.126 0 40 DGAB O=C(c1ccc2cccc(F)c2n1)N1CCO[C@@H]2CCCC[C@H]21 91547635 TWXRUINHWZFDJM-HZPDHXFCSA-N 314.360 3.158 0 40 DGAB C[C@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8413092 OANCDSWGUBRWOG-DTWKUNHWSA-N 315.200 3.046 0 40 DGAB CCC(CC)[C@H](NC(=O)CCn1ccnn1)c1cccs1 69533152 DLMNQHOYHNKADS-HNNXBMFYSA-N 306.435 3.023 0 40 DGAB CCN(C(=O)COC(=O)c1ccc(F)cc1)c1ccccc1 6438605 QYGPJYKXVVMFEK-UHFFFAOYSA-N 301.317 3.036 0 40 DGAB C[C@@]1(c2ccc(F)cc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 14135068 QCUJIAHPKGKFPY-MEQKGCOVSA-N 324.355 3.306 0 40 DGAB Cc1cc(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)n(C)n1 65627088 SFBDKAHLNSRBIW-LBPRGKRZSA-N 312.295 3.154 0 40 DGAB COc1ccccc1N(C)C(=O)Cc1cn(C)c2ccccc12 65851997 UXHCQMGTDWXRML-UHFFFAOYSA-N 308.381 3.392 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2cccc3ccccc23)on1 5565903 JAKWIDUYHGBDMW-GFCCVEGCSA-N 324.336 3.320 0 40 DGAB Cc1ccsc1C(=O)Nc1ccccc1N1CCOCC1 5895555 QBCSQBDJEWLMRC-UHFFFAOYSA-N 302.399 3.145 0 40 DGAB COCCCNC(=O)c1cc(-c2ccco2)nc2ccccc12 5879609 CMEVDJSDTJABGY-UHFFFAOYSA-N 310.353 3.261 0 40 DGAB CCCn1nnc(NCc2ccc(OCc3ccccc3)cc2)n1 15356946 CLZSUJRTAIRLKA-UHFFFAOYSA-N 323.400 3.274 0 40 DGAB O=c1oc2ccccc2n1CCN(Cc1ccsc1)C1CC1 67411935 MYHQQVTVBGLSHV-UHFFFAOYSA-N 314.410 3.321 0 40 DGAB COc1cc(NCc2ccc(CO)o2)ccc1Br 80236955 QCHBTOUSYPSUDM-UHFFFAOYSA-N 312.163 3.155 0 40 DGAB CCOc1ccc(C(C)C)cc1S(=O)(=O)NC1CCCC1 8714910 IBKPFKCETBVIES-UHFFFAOYSA-N 311.447 3.430 0 40 DGAB CCc1noc(C)c1NC(=O)N1CCCC[C@H]1c1cn[nH]c1 97113489 RFGPGJQGBQDZLV-ZDUSSCGKSA-N 303.366 3.028 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)NC2CCCCCC2)c1 7653829 VKOGMUKEISLAJO-UHFFFAOYSA-N 303.402 3.299 0 40 DGAB O=C(/C=C/c1cccc(C(F)(F)F)c1)NCc1ccccn1 8289964 OIRXFLQCSHLFOO-BQYQJAHWSA-N 306.287 3.430 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)N2CC[C@H]3CCCC[C@@H]3C2)n1 9495373 MPEHTEQIPNQMMH-CHWSQXEVSA-N 322.478 3.059 0 40 DGAB Cc1nn2c(ncc3c(=O)[nH]ccc32)c1-c1ccc(Cl)cc1 19818867 WHLMYKVEQWKPFO-UHFFFAOYSA-N 310.744 3.200 0 40 DGAB Cc1noc([C@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 71892911 YLWTXYSUNXVFSO-NSHDSACASA-N 311.389 3.195 0 40 DGAB CC[C@@H](OC1CCCCC1)C(=O)N[C@H](C)c1c(C)nn(C)c1C 84718718 PBHNUFIKWLIVNQ-MLGOLLRUSA-N 321.465 3.342 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NC/C=C/c1ccccc1 95402517 BIXNSERVGIJITQ-CUXJHESGSA-N 312.457 3.327 0 40 DGAB CCO[C@H]1C[C@H](NC(=O)CC2CCOCC2)C12CCCCC2 98016453 FBQNQEQFJNKNLL-HOTGVXAUSA-N 309.450 3.047 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)[C@H](C)c1c(F)cccc1F 95955547 KJBFHQLYTPDCFI-SNVBAGLBSA-N 315.341 3.246 0 40 DGAB COc1ccc(C)cc1CCNC(=O)c1ccc(N(C)C)cc1 9919910 AMTPXYTXAVMZJP-UHFFFAOYSA-N 312.413 3.042 0 40 DGAB CC(C)(C)SCC(=O)N1CCC[C@H]1C[C@@H](O)c1ccco1 89694453 SMISFYZMZICPTR-QWHCGFSZSA-N 311.447 3.226 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@]1(CCC2)COCCN1 306145675 NDUHNNGSECMSAW-SFHVURJKSA-N 318.417 3.185 0 40 DGAB COC(=O)c1n[nH]c2ccc(NC(=O)CCC3CCCC3)cc12 25012807 SYBIYAWIXNDRGN-UHFFFAOYSA-N 315.373 3.258 0 40 DGAB CC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)CCO3)cc1 68741237 DPHVBBBGFLAPPF-UHFFFAOYSA-N 309.365 3.395 0 40 DGAB COc1ccccc1CN(C)C(=O)CCc1ccc(F)cc1 60882385 RNQIGNGZYYDPLB-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB C[C@@H]1CN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)CC[C@H]1C 501775664 MHPQCKFVTCRTHT-MGPQQGTHSA-N 324.415 3.462 0 40 DGAB Cc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 32911500 LUFXDMVPMQNUDZ-GOSISDBHSA-N 308.425 3.389 0 40 DGAB O=C(NCC1CCCCCCC1)C1CCN(C(=O)C2CC2)CC1 79179353 YRAHDUMNMBORLU-UHFFFAOYSA-N 320.477 3.112 0 40 DGAB COc1cc(Br)c(N)c(Br)c1Cl 216765372 BZHNBNDAJKKEDX-UHFFFAOYSA-N 315.392 3.456 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N1 78403891 MZZGCQHUDUFSRK-SNVBAGLBSA-N 322.817 3.497 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NCCc1ccccn1 45293480 FBGKLCPJOLHDME-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB biogenic CCc1nc2cc(C(=O)NCc3cccc(C)c3)ccc2n1C 225894803 PHPXCWPEGZEABV-UHFFFAOYSA-N 307.397 3.374 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 222973343 MMPZDMZUONYOIN-HOTGVXAUSA-N 314.458 3.193 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NCC(C)C 224205991 SRLXDDOMUXBSHB-INIZCTEOSA-N 318.461 3.284 0 40 DGAB Cc1cccc([C@@H]2CCN(C(=O)[C@@H](CN)c3ccccc3)C2)c1 1579756892 NLUNYPMVWUNNBA-MOPGFXCFSA-N 308.425 3.053 0 40 DGAB O=C(c1ccc2ccc(Cl)cc2n1)N1CCCSCC1 84181550 JNTPYYBMTKARFO-UHFFFAOYSA-N 306.818 3.467 0 40 DGAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(Cl)s1 222723705 ZXSYDIJIUYERMO-VXGBXAGGSA-N 309.847 3.399 0 40 DGAB COc1cccc(NC(=O)c2ccc(Br)c(N)c2)c1 40293463 VSCDTQZEQMCNFP-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccc(C)cc1 222744270 AEXPDRNWTJMEDO-MRXNPFEDSA-N 324.424 3.048 0 40 DGAB CCn1c(=O)sc2cc(NC(=O)Cc3ccccc3)ccc21 225075245 BJZCBVPWBZNIFA-UHFFFAOYSA-N 312.394 3.264 0 40 DGAB Cc1nccc(CNC(=O)N2CCc3c(cccc3C(C)C)C2)n1 190252232 PGHXIQFZCAWBTO-UHFFFAOYSA-N 324.428 3.176 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](C)N([C@H](C(=O)O)c2cccnc2)C1 583505312 AHORMFMWEVRMHI-LESCRADOSA-N 310.397 3.394 0 40 DGAB O=C(N[C@@H]1C=CCCC1)N[C@H]1CCO[C@H](c2ccccc2)C1 248948747 ZPCDSGNLZOFZQL-IKGGRYGDSA-N 300.402 3.315 0 40 DGAB c1cc([C@H]2CCN(Cc3noc(-c4ccsc4)n3)C2)ccn1 584061266 FVXQILZKHVXBAE-ZDUSSCGKSA-N 312.398 3.183 0 40 DGAB COc1ccc(CN[C@@H](c2ccc(C)nc2)c2cncn2C)cc1 585085407 IACCFFVJEYLLAS-IBGZPJMESA-N 322.412 3.011 0 40 DGAB C[C@H](CC(=O)N[C@@H](C)c1nccn1C)Cc1cccc(F)c1 585113841 AJLAADSPZDUEIZ-STQMWFEESA-N 303.381 3.005 0 40 DGAB O=C(O)c1c(OCC2CC2)cnc2cccc(Br)c12 685937650 WCDMHLSJQNDITR-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB Cc1ccc(NC(=O)[C@@H](NC[C@H]2CCCO2)c2ccccc2)cc1 57024245 NTFKDVRIEMNYBT-MOPGFXCFSA-N 324.424 3.443 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CC2(CCCC2)c2ccccc21 98018969 HOSKRLORQRRGSH-UHFFFAOYSA-N 324.428 3.297 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)[C@H]2C(=O)Nc3ccccc32)cc1 101680284 VBYKKIZPTRQUGC-INIZCTEOSA-N 322.364 3.054 0 40 DGAB Cc1cc(C)c(OCC(=O)NCc2ccccc2F)c(C)c1 5630624 JOTRWLMUNBBYFJ-UHFFFAOYSA-N 301.361 3.446 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)C(=O)OCC2CCCCC2)c1 12756693 STVVJNWRZJYEDJ-CQSZACIVSA-N 303.402 3.237 0 40 DGAB O=C(OCc1cccnc1)C(O)(c1ccccc1)c1ccccc1 13283175 RDYQRSNCPQNUQU-UHFFFAOYSA-N 319.360 3.061 0 40 DGAB Cc1nnc2sc(-c3cc(N)c(Cl)cc3Cl)nn12 15423934 VCUHBOMEUVITAF-UHFFFAOYSA-N 300.174 3.050 0 40 DGAB Cc1nonc1CN(C)Cc1c[nH]nc1-c1ccc(Cl)cc1 19656689 CMTSKKQUUGVVRB-UHFFFAOYSA-N 317.780 3.054 0 40 DGAB CC(=O)c1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)cc1 169690650 IEOCZOQZXTVXMY-MVJTYMMSSA-N 321.376 3.147 0 40 DGAB C[C@@]12CCNC(=O)C=C1CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 4983566 UJPILRQDXJVBHX-DYIPZHMLSA-N 303.446 3.036 0 40 DGAB O=C1c2ccccc2-c2cc(Br)ccc2N[C@@H]1O 4983939 UZNMOZALASNFJH-CQSZACIVSA-N 304.143 3.043 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)COc2ccccc2C)c1 5815854 OYSSGMZNXMJIJF-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 5465779 NSDAHWMIPQUMPQ-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB COc1ccc(CC(=O)N2CCC(=C3CCC3)CC2)cc1OC 1775986135 XDEFTUVOVPSBLN-UHFFFAOYSA-N 315.413 3.349 0 40 DGAB Cc1nsc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1776008847 QLZISSCDYSTZMO-QWRGUYRKSA-N 309.826 3.069 0 40 DGAB O=C(c1cc(Cl)ccc1O)N1CCC[C@@H](C(F)(F)F)C1 24183666 YILOXJPPMCMGJB-MRVPVSSYSA-N 307.699 3.460 0 40 DGAB COc1cc(Nc2ccc(NC(=O)c3ccco3)cc2)nc(C)n1 12225306 DVJNMHVMUSYTBU-UHFFFAOYSA-N 324.340 3.383 0 40 DGAB Cc1ccc2c(c1)s/c(=N/C(=O)c1ccccc1F)n2C 100812002 YAJDPEXZVZPKKV-FBMGVBCBSA-N 300.358 3.428 0 40 DGAB COc1cccc2cc(C(=O)NC[C@@H](OC)c3ccco3)oc12 206861018 JFKYZNUDOVESQC-OAHLLOKOSA-N 315.325 3.152 0 40 DGAB CNC(=O)Cc1ccc(NC(=O)Nc2ccccc2Cl)cc1 38716403 XDCHYMLNNUVHOK-UHFFFAOYSA-N 317.776 3.273 0 40 DGAB COc1ccc(NC(=O)NCCc2cccs2)cc1OC 40525908 OIDDFGVOLWQUGM-UHFFFAOYSA-N 306.387 3.130 0 40 DGAB Cc1cccc(C(=O)N[C@H]2CCC[C@@H](OCC(F)(F)F)C2)n1 40510749 IEUDKTMHMJTANL-NWDGAFQWSA-N 316.323 3.010 0 40 DGAB CC(C)CC[C@@H](CCNCCN(C)C)c1ccc2c(c1)OCO2 20533169 AEEKWZABLTYSCB-INIZCTEOSA-N 320.477 3.476 0 40 DGAB CS(=O)(=O)c1cc(C(=O)OC2CCCCC2)ccc1Cl 21356434 RTURLUQDWTZXQT-UHFFFAOYSA-N 316.806 3.233 0 40 DGAB C[C@@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccccc1 32771630 OBOWRAQRQKTLLL-CYBMUJFWSA-N 323.396 3.474 0 40 DGAB O=C(CCc1ccc(F)cc1)N[C@H](c1nccs1)C1CC1 76040968 RVMKFTAAXOTEBS-HNNXBMFYSA-N 304.390 3.482 0 40 DGAB C[C@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1 32853825 GHSFRSRCWMRADU-YEJXKQKISA-N 301.411 3.056 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCC[C@@H](OCC(F)(F)F)C1 32818383 QPULVRIBNTUDFQ-WDEREUQCSA-N 305.296 3.208 0 40 DGAB COc1ccc(NCc2cccc(F)c2)cc1N1CCOC1=O 78932094 CEWVMFYFAQWFDF-UHFFFAOYSA-N 316.332 3.403 0 40 DGAB C[C@@H](NCc1ccc2c(c1)nnn2C)c1ccc(F)cc1F 79093419 ZBBALWLNCNJIDB-SNVBAGLBSA-N 302.328 3.097 0 40 DGAB COc1cc2cc(=O)n(Cc3ccccc3)c(C)c2cc1OC 4147453 STZRNNUWUPHYDZ-UHFFFAOYSA-N 309.365 3.375 0 40 DGAB O=C(C1CCCCC1)N1CCCN(C(=O)C2CCCCC2)CC1 2752750 ORGLHZOCDXXITL-UHFFFAOYSA-N 320.477 3.208 0 40 DGAB COc1ccc(C(=O)OCc2nc3ccccc3o2)c(F)c1 7414093 ZQWAETBQOXLFPA-UHFFFAOYSA-N 301.273 3.333 0 40 DGAB COC(=O)CCCC(=O)N1CCC[C@H]1c1ccccc1Cl 97060124 UMLXJTMZMWXXJZ-AWEZNQCLSA-N 309.793 3.347 0 40 DGAB O=C(Nc1ccccc1NCCc1ccccn1)c1ccc[nH]1 97083365 VMOCYSPCQQSIRM-UHFFFAOYSA-N 306.369 3.317 0 40 DGAB CCCc1nnc(NCc2cn(C)nc2C2CCCCC2)o1 97085391 WYHVHFARVBTWGK-UHFFFAOYSA-N 303.410 3.415 0 40 DGAB Cc1ccc(Nc2nc(C(=O)NC[C@H]3CCCO3)cs2)cc1 819394 SSSQCUFTXOHJPI-CYBMUJFWSA-N 317.414 3.104 0 40 DGAB CCCCC(=O)Nc1cc2c(cc1Br)OCCO2 23684807 JBNPOUYEBNQZGS-UHFFFAOYSA-N 314.179 3.349 0 40 DGAB O=C(N[C@@H]1C[C@@H]2CC[C@@H]1C2)C1CCN(Cc2ccccc2)CC1 100452472 ACHAGXCFPCJKQR-BHIYHBOVSA-N 312.457 3.203 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NCCCCc2ccccc2)c1 59379394 LVIXXFSJGIRXED-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB CN(Cc1csc(-c2cnn(C)c2)n1)c1ccc(F)c(F)c1 55021750 PEZFWEXEZCSZSO-UHFFFAOYSA-N 320.368 3.458 0 40 DGAB C[C@@H](C(=O)N[C@H](CC(=O)O)c1ccccc1)c1ccsc1 97017396 SHGRMVGBWMNOKD-BXUZGUMPSA-N 303.383 3.184 0 40 DGAB NC(=O)[C@@H](Nc1cccc(OC(F)(F)F)c1)c1ccccc1 25482952 RLNUVVMPZNPQKV-ZDUSSCGKSA-N 310.275 3.224 0 40 DGAB Cc1cccc(C2(C(=O)NCc3c(C)cc(C)[nH]c3=O)CCC2)c1 26311080 WPNQGYNIFSQJRN-UHFFFAOYSA-N 324.424 3.038 0 40 DGAB COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)cc1N 57340434 YXIPUUSIVYBVMD-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB Cc1cc(CN2CCN([C@@H](C)c3ccc(F)cc3)CC2)no1 69419464 XIOJPNPLCGMGRU-AWEZNQCLSA-N 303.381 3.001 0 40 DGAB O=S(=O)(Nc1ccncc1)c1ccc(Cl)c2ncccc12 72274875 QDDUCTWJROVMSH-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB Cc1cnn(CCC(=O)N2C[C@@H](C)Sc3ccccc32)c1 84265179 AQORXFSETBSDLB-CYBMUJFWSA-N 301.415 3.109 0 40 DGAB Cc1c([C@@H](C)NC[C@H]2CNc3ccnn3C2)oc2ccccc12 58377687 OJXYXPODKAUEDR-KGLIPLIRSA-N 310.401 3.330 0 40 DGAB CCN1CCC[C@@H]1CNc1ncnc2sc3c(c12)CCC3 3334738 QBKDIVWQXSVULU-LLVKDONJSA-N 302.447 3.076 0 40 DGAB Cc1nc(SCc2c(C)noc2C)c(C(N)=O)c(C)c1C 12787320 VZOQBWPLGOYODZ-UHFFFAOYSA-N 305.403 3.003 0 40 DGAB CCCCN(C)c1nc(-c2cn(C)nc2C)cc(C(F)F)n1 36618678 GSTUUNRYIBCECY-UHFFFAOYSA-N 309.364 3.359 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@H](C)O[C@H](C)C3)cs2)cc1 12781482 GZZVPYFGJHYRBG-BETUJISGSA-N 316.426 3.368 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(N)=O)cc2)cc1C 45783042 HSJDVOQHYKCXHV-ZDUSSCGKSA-N 311.385 3.285 0 40 DGAB CSc1ccc(COC(=O)[C@H]2COc3ccccc3O2)cc1 3497983 ZFHQEUXSQYFKCH-MRXNPFEDSA-N 316.378 3.292 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nc2c(F)cc(F)cc2s1 12930459 JHJUTCDWKKYFLU-UHFFFAOYSA-N 309.297 3.432 0 40 DGAB CCOc1ccc([C@@H]2CCCN2c2cc(C)nc3ncnn23)cc1 13016521 GSEMKORVBCLZJV-INIZCTEOSA-N 323.400 3.173 0 40 DGAB O=C(O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 13175830 IDRSQNRIKMTWKX-OCCSQVGLSA-N 307.777 3.328 0 40 DGAB NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 3886751 PVTYNKLLCRPUCH-LBPRGKRZSA-N 305.790 3.328 0 40 DGAB Clc1ccc(CN2CCc3cncnc3C2)c2ncccc12 69512880 WIPMOJBQPDUFGE-UHFFFAOYSA-N 310.788 3.237 0 40 DGAB O=c1c2c3c(sc2ncn1CCOc1ccccc1)CCC3 6111510 JEKQZNVQMHGTGP-UHFFFAOYSA-N 312.394 3.026 0 40 DGAB COC[C@H](C)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 69879177 PBHAUYTUQJILMJ-JTQLQIEISA-N 305.403 3.275 0 40 DGAB CC(=O)c1cnn(-c2cc(Nc3ccc(C)cc3)ncn2)c1C 5350290 WCIMPQOOKHGUFX-UHFFFAOYSA-N 307.357 3.225 0 40 DGAB CC(C)CSc1nnc(NC(=O)Cc2ccccc2)s1 4723902 QLCKUNCIJUETRS-UHFFFAOYSA-N 307.444 3.467 0 40 DGAB COC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@@H]2[C@@]1(O)C(F)(F)F 409106410 LYTQNJILMVMVKP-MWODSPESSA-N 322.327 3.138 0 40 DGAB Cc1n[nH]c(Nc2ccccc2Sc2ccccc2)nc1=O 8997484 UKILUQNXCRTSCI-UHFFFAOYSA-N 310.382 3.368 0 40 DGAB CC(C)(C)OC(=O)N1CCC(N2Cc3ccccc3C2=O)CC1 67800597 PIQGVDJPYOAFHM-UHFFFAOYSA-N 316.401 3.042 0 40 DGAB O=C1COc2ccc(-c3csc(N4CCCCC4)n3)cc2N1 7763243 YUSWPUYSFCVYIF-UHFFFAOYSA-N 315.398 3.131 0 40 DGAB CCCOc1ccc(C(=O)NCCc2ccccc2)cc1OC 8037801 MHMKIWWKZLRPCY-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB O=C(Nc1ccc2c(c1)CNCC2)c1ccc(F)cc1Cl 69052744 PMHLQCWQHSTAPO-UHFFFAOYSA-N 304.752 3.377 0 40 DGAB C[C@H](Oc1ccccc1)c1nc(N)nc(Nc2ccccc2)n1 9468824 GFHOEMWJPTYPEC-LBPRGKRZSA-N 307.357 3.337 0 40 DGAB O=C(Nc1ccc2c(c1)COC2)N1CCCC[C@H]1c1cn[nH]c1 97113546 OCRWGVXMXCHTPF-INIZCTEOSA-N 312.373 3.199 0 40 DGAB Cn1c(SCC2CCCCCC2)nnc1-c1cnccn1 97115172 FBUFWCOTZBVHRJ-UHFFFAOYSA-N 303.435 3.335 0 40 DGAB c1ccc2c(c1)oc1c(N3CC[C@H](N4CCCC4)C3)ncnc12 95469695 HCIONTDFXZASLL-ZDUSSCGKSA-N 308.385 3.051 0 40 DGAB COc1ccc(CNc2ccc(Br)cn2)cc1O 95428431 YBZWQTZPQOAJSI-UHFFFAOYSA-N 309.163 3.170 0 40 DGAB O=C(Nc1ccc2[nH]c(C(F)F)nc2c1)N1CCSCC1 95977134 MTTVQNYEUHAKLS-UHFFFAOYSA-N 312.345 3.081 0 40 DGAB C[C@H](NCc1nnc(C2CC2)n1C)c1c(F)cccc1Cl 95985938 SLPCFBBMMMOKTP-VIFPVBQESA-N 308.788 3.336 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)Cc1cnc2ncccn12 95982218 SPCLVZUIHQRTAT-UHFFFAOYSA-N 320.318 3.380 0 40 DGAB Cc1nc(C(C)C)sc1[C@@H](C)N(C)C(=O)c1csnn1 89558925 XCWSHISLEKOYHV-SECBINFHSA-N 310.448 3.260 0 40 DGAB CCO[C@H](C)c1nccn1CC(=O)Nc1ccc(C)cc1C 89521600 RGNXMLCSIMWGQK-CQSZACIVSA-N 301.390 3.236 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)CCc3ccncc3)ccc21 89989709 XWRFUPPJBJCLPX-UHFFFAOYSA-N 320.396 3.417 0 40 DGAB C[C@@H]1CCC[C@@H](OCC(=O)Nc2cccc(-c3nnco3)c2)C1 89927353 QLIZBPPZKUXFTM-IUODEOHRSA-N 315.373 3.270 0 40 DGAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccccc3)n2)o1 408557565 OSMXHYMWESAQHM-UHFFFAOYSA-N 301.327 3.055 0 40 DGAB COc1ccc(OC(=O)c2nc(SC)ncc2Cl)cc1 6810426 CYQMRGKZZPQURH-UHFFFAOYSA-N 310.762 3.080 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1 33189509 WCIQUPLJLMIALB-ZENOOKHLSA-N 317.385 3.003 0 40 DGAB FC(F)(F)c1ccccc1Cc1cccc([C@H]2CNCCO2)n1 74941202 KDXVJQXQVXHLKC-MRXNPFEDSA-N 322.330 3.352 0 40 DGAB CCCCCNC(=O)CCc1nc(-c2cccc(C)c2)no1 41184472 AMGWMCBYQHUILN-UHFFFAOYSA-N 301.390 3.284 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)C1 222282726 CIYSUZIGBKLEOQ-GFCCVEGCSA-N 300.402 3.179 0 40 DGAB CCOc1ncc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1C 225889838 RSALYXIVETWHJT-PXAZEXFGSA-N 306.406 3.323 0 40 DGAB CCS[C@@H](C)c1noc(CN[C@@H]2CC(C)(C)OC2(C)C)n1 132591086 ANZXKBPIQBPETR-WDEREUQCSA-N 313.467 3.319 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)N[C@H](C)CC 225050679 KQYSUFAOFQBJJF-HUUCEWRRSA-N 304.434 3.037 0 40 DGAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC(C)(C)C 225435905 BGLIIJYYMAKYIQ-VIFPVBQESA-N 306.337 3.062 0 40 DGAB biogenic,in-vitro O=C(CCCc1ccccc1)Nc1cnc(N2CCCC2)nc1 224247149 WHLILAOQYYCPIR-UHFFFAOYSA-N 310.401 3.038 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1ccsc1 225599667 NOZWUPIKSTWURN-LQPUYASZSA-N 313.422 3.444 0 40 DGAB Clc1cncc(Br)c1I 146575900 HIKVABMEQDSKKA-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB O=C(c1cscn1)N1CC[C@]2(CCCN2CC2CCCC2)C1 96071062 MSLDMNNPFVFOJF-QGZVFWFLSA-N 319.474 3.014 0 40 DGAB CCSc1ccc(NC(=O)NCc2ncc(C)s2)cn1 96434350 MIGQSVCLWTYZPG-UHFFFAOYSA-N 308.432 3.280 0 40 DGAB CCCN1C[C@H]2Cc3c(c(-c4cccc(OC)c4)nn3C)[C@H]2C1 96145656 WRLFOBIKMGMMBY-ZBFHGGJFSA-N 311.429 3.077 0 40 DGAB CCCC[C@H](N[C@H](C)CC[P@](C)(=O)OCC)C(=O)OC 583651744 RMLJIVIYBKZXCR-MTJIALIYSA-N 307.371 3.031 0 40 DGAB Cc1cc([C@@](C)(O)CNC(=O)C(C)(C)c2cccs2)c(C)o1 96459304 ZJDQOIJOYOJNHY-KRWDZBQOSA-N 321.442 3.259 0 40 DGAB COc1cc2nc(=S)n(-c3ccccc3)c(O)c2cc1OC 239439139 ZMKXHJGACZWSKR-UHFFFAOYSA-N 314.366 3.478 0 40 DGAB Cc1nc(C)c(CN2CCOC[C@H](Oc3ccccc3)C2)s1 96296489 IKHRACHUMIIWJJ-MRXNPFEDSA-N 318.442 3.040 0 40 DGAB biogenic,in-vitro CC(C)[C@@H](SCCn1cccn1)C(=O)N1CCCC[C@@H]1C 585118495 QUJVUZMZEUUNNQ-LSDHHAIUSA-N 309.479 3.042 0 40 DGAB COc1ccccc1N1CCN(c2cc(Cl)ccc2N)CC1 256050771 GLHCFRKKPRMBMM-UHFFFAOYSA-N 317.820 3.257 0 40 DGAB Cc1cc([C@@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)ccn1 257331609 XTOPEIIPAFNZJG-IBGZPJMESA-N 322.408 3.092 0 40 DGAB C[C@H]1C[C@H](NC(=O)N2CCC3(CCCCC3)CC2)c2ncnn21 661533536 JMSQPACQMCKMHG-KBPBESRZSA-N 317.437 3.040 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccccn1 55519363 TZSNGHFSTKDNGH-IBGZPJMESA-N 322.408 3.313 0 40 DGAB CC(=O)Nc1cccc(NC(=O)[C@@H]2CCOc3ccccc32)c1 62636845 UBRIQEDJZFXXLY-MRXNPFEDSA-N 310.353 3.150 0 40 DGAB C[C@H](NC(=O)CCN(C)Cc1cccc(O)c1)c1ccccc1 72308182 MQSZWSSXEZPXPI-HNNXBMFYSA-N 312.413 3.092 0 40 DGAB Cc1cnc(CCNC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)s1 89702407 PKLWVQTYPHWMAG-BNOWGMLFSA-N 307.463 3.357 0 40 DGAB COC(=O)c1ccc(/C=C2/N=C(c3ccc(C)cc3)OC2=O)cc1 62944 MDQDBZLHKXWJMV-LFIBNONCSA-N 321.332 3.126 0 40 DGAB C[C@]12CC[C@@H]3[C@@H]4CCC(=O)C=C4CC[C@@H]3[C@@H]1CC[C@@H]2C(=O)CO 5276746 YNCNEPHWJBSKJJ-QFIAKTPHSA-N 316.441 3.306 0 40 DGAB biogenic S=C(NNc1cc(-c2ccccc2)ncn1)Nc1ccccc1 5687911 KXYURKCVQWHYQA-UHFFFAOYSA-N 321.409 3.457 0 40 DGAB NC(=O)c1ccc(COc2ccc(Br)cc2F)cc1 11678111 MZIJDZWKHMCIFB-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1ccccc1C 12481866 DKNPJCFCGBNHKJ-MQVJKMGUSA-N 315.417 3.049 0 40 DGAB O=C(CSc1nc(Cc2ccccc2)n[nH]1)c1ccccc1 15019375 NMYOZEAACUENGM-UHFFFAOYSA-N 309.394 3.371 0 40 DGAB CCn1c(=O)sc2cc(NC(=O)c3ccc(F)cc3)ccc21 15830621 ULUZEWSLZRSAFP-UHFFFAOYSA-N 316.357 3.474 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1COc2ccccc2C1=O 19083219 KWWGDGDZXZJWBV-KGLIPLIRSA-N 317.385 3.277 0 40 DGAB C[C@@H](c1nccs1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 169618347 HVCIVELHPPBFAB-NWDGAFQWSA-N 311.451 3.193 0 40 DGAB Cc1ccc2c(c1)N(Cc1ccc3c(c1)OCO3)C(=O)[C@H](C)O2 1328448 DFUNVKLNXLHMQJ-LBPRGKRZSA-N 311.337 3.038 0 40 DGAB Cc1cc(C(=O)Nc2cnn(-c3cccc(Cl)c3)c2C)no1 151991681 BZEWNOOJSIVWDX-UHFFFAOYSA-N 316.748 3.383 0 40 DGAB C[C@H](O)[C@@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 152939411 PVUVVQCAUNZKJA-DTWKUNHWSA-N 321.726 3.202 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3cccc4ncccc34)CC[C@@]1(C)C(=O)O2 6661279 NVVWRZKRZBBMTF-RBUKOAKNSA-N 324.380 3.295 0 40 DGAB COc1ccc(C(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 5212922 FGHKOHOISKOSSR-LLVKDONJSA-N 313.382 3.101 0 40 DGAB C[C@H](Sc1nc2ncccn2n1)c1nnc(-c2ccccc2)o1 10074781 WNKLOMLJMGTJFU-JTQLQIEISA-N 324.369 3.028 0 40 DGAB O=[S@]12=Nc3ccc(I)cc3[C@H]1CCC2 1503350615 FTXVOSQLXSOKQI-YGRLFVJLSA-N 319.167 3.239 0 40 DGAB O=C(O)c1c(F)cc(-c2cc(F)c(C(=O)O)c(F)c2)cc1F 2048532863 ZPGFIXJMWHUTJM-UHFFFAOYSA-N 314.190 3.306 0 40 DGAB CCCCC12CN3CC(C)(CN(C1)C3c1ccc(F)cc1)C2=O 19320807 LBJMEVOVMMAGEP-UHFFFAOYSA-N 316.420 3.221 0 40 DGAB O=C(/C=C/c1cccs1)N[C@H]1CCN(Cc2ccsc2)C1 618257026 PJECBNURROMBLQ-XGACYXMMSA-N 318.467 3.214 0 40 DGAB Clc1cccnc1OC[C@H]1CCCN(c2nccs2)C1 2298187897 KLTZUDQYFWIACF-NSHDSACASA-N 309.822 3.487 0 40 DGAB O=C(NCC[C@@H](O)c1ccccc1)NCc1ccc(Cl)cc1 75536099 FFIOFFBAFYZMNR-MRXNPFEDSA-N 318.804 3.263 0 40 DGAB C[C@@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@@H](C)O1 6471024 DKONQWULBIYMPP-VXGBXAGGSA-N 311.809 3.133 0 40 DGAB O=C(Nc1cccnc1N1CCCC1)c1ccc(F)c(F)c1 40114410 OOAJQZQMSZRJIB-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCCSC(F)(F)F 40118579 PQQCEDMMLMTDOD-UHFFFAOYSA-N 316.348 3.470 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)o1)c1cc(Cl)ccn1 40418487 GDQNTSWBWPCKLH-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)cc1 40513545 PQCUAIMZSYYCKL-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)c2ccc(C)o2)cc1OC 40525904 PPUPERLJQNSEAS-LLVKDONJSA-N 304.346 3.488 0 40 DGAB Nc1ccccc1C(=O)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 40817563 PXFABYFRMYPRJP-ZDUSSCGKSA-N 320.396 3.165 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccc(Cl)cc1 131825 QAYRKFMUWVYJLH-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB COc1ccc(-c2[nH]c(C=O)nc2Br)c(Cl)c1 1857794887 QYQSHLPSNGKRAN-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB CCc1cccc(NC(=O)N(CCO)Cc2ccsc2)c1 52231332 DQGFDKJVHCFWCD-UHFFFAOYSA-N 304.415 3.337 0 40 DGAB C[C@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(F)cc1F 37150942 CRWDXCQSBHYMCY-VIFPVBQESA-N 301.296 3.332 0 40 DGAB CC[C@@H](C)C(=O)N1CCC(c2n[nH]c(=S)n2C2CC2)CC1 78502719 RUMSOXIKLVKDKG-SNVBAGLBSA-N 308.451 3.028 0 40 DGAB Cc1nnc([C@H](C)NC(=O)Nc2ccc(C(F)(F)F)cc2)o1 79107159 GPXJHVJYDPBBQN-ZETCQYMHSA-N 314.267 3.280 0 40 DGAB c1ccc2cc(OCCSc3nnnn3C3CC3)ccc2c1 32827059 KFICDJQBQCXWRU-UHFFFAOYSA-N 312.398 3.332 0 40 DGAB CCN1C[C@H](C(=O)N[C@H](c2ccc(Cl)cc2)C(C)C)CC1=O 32816470 XVOHPNMTRVTSNR-CJNGLKHVSA-N 322.836 3.022 0 40 DGAB Cc1ccc(-c2nnco2)cc1NC(=O)[C@@H]1C[C@@H]1c1ccco1 84185632 JDPJHWSFDPCHEO-QWHCGFSZSA-N 309.325 3.380 0 40 DGAB Cc1nc(NC(=O)CCc2nc(C(C)(C)C)no2)sc1C 32922821 IJAXAXVWKWZAOB-UHFFFAOYSA-N 308.407 3.012 0 40 DGAB C[C@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1F 32983357 NRLOOPQFEVPZKM-MEDUHNTESA-N 313.328 3.305 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1cc(C)ccc1C 6314446 KBRNQLDDGRCUKM-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB CC(=O)c1ccc(N2CC(O)=C(c3nc(C)cs3)C2=N)cc1 102720515 CGSGPHFJDCKHMZ-UHFFFAOYSA-N 313.382 3.421 0 40 DGAB Cc1nn(C)cc1-c1nnc(-c2cccc(C(F)(F)F)c2)o1 2806412 LOXKPTLZBPDKEN-UHFFFAOYSA-N 308.263 3.464 0 40 DGAB Cc1ccc2nc(N[C@H](C)C(=O)O)nc(-c3ccccc3)c2c1 520143 CPURVBANMAQXJZ-GFCCVEGCSA-N 307.353 3.490 0 40 DGAB O=C(NCc1ccc(-c2nc3ccccc3s2)o1)N1CCC1 54023535 QWOODQMLRAIFNQ-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB COc1cccc(Cc2cnc(NC(=O)C3CCC3)s2)c1 23488923 JWCJMBCOFQKAKT-UHFFFAOYSA-N 302.399 3.481 0 40 DGAB C[C@H](OC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1 23524257 GBVRJCYLXRROSK-JTQLQIEISA-N 302.305 3.234 0 40 DGAB Fc1ccc(N2CCN(c3cnc4ccccc4n3)CC2)cc1 3116828 XGLWULKOSRUJEY-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)Nc2nccs2)cc1OC 43160180 NFXNKIUWOLVGEA-SNVBAGLBSA-N 321.402 3.433 0 40 DGAB c1cc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)co1 107711929 IIGWTLYDUWSVMC-ROUUACIJSA-N 305.418 3.077 0 40 DGAB Cc1csc(N2CCCN(C(=O)c3ccc(C)s3)CC2)n1 55758930 MINZTMXOFHFUAE-UHFFFAOYSA-N 321.471 3.174 0 40 DGAB CC[C@@H](NC(=O)c1c(F)c(F)cc(F)c1F)C1CCOCC1 97011765 NGILWOVYYNCGQK-LLVKDONJSA-N 319.298 3.178 0 40 DGAB O=C(NCCc1ccc2c(c1)OCO2)N1CC[C@H]1c1ccccc1 43889655 OTXLLBVBIDQIGP-INIZCTEOSA-N 324.380 3.114 0 40 DGAB CN(C)C(=S)SCC(=O)Nc1ccc2ccccc2c1 3287960 MYQQIRZNQQVVBT-UHFFFAOYSA-N 304.440 3.358 0 40 DGAB COc1cccc(CC(=O)OCC(=O)c2cccc(Cl)c2)c1 3273065 RHAGQIGYJNLTHU-UHFFFAOYSA-N 318.756 3.317 0 40 DGAB COC(=O)Nc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1F 97084149 XFYJCFNILGWQQX-UHFFFAOYSA-N 311.700 3.238 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCc2ccccc2C1 48087255 DDVOEWYYINSMLI-UHFFFAOYSA-N 322.412 3.272 0 40 DGAB C[C@@H]1OCC[C@@H]1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97055926 QRAHPGKXCTVERX-UBJUHAIHSA-N 323.261 3.109 0 40 DGAB CCc1csc([C@H]2CCCN(c3cnnc(O)c3Cl)C2)n1 97047789 HLXKMOIIZCUSRP-VIFPVBQESA-N 324.837 3.239 0 40 DGAB COc1ccccc1[C@@H](C)N[C@H](C)C(=O)N1CCc2ccccc21 57421378 XULYQYLHFKCNJN-HUUCEWRRSA-N 324.424 3.324 0 40 DGAB CCC(C)(C)C(=O)Nc1ccc(C(N)=O)c(N2CCCCC2)c1 72282086 VXISHBUYBXGEOQ-UHFFFAOYSA-N 317.433 3.151 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc2c1CCCC2 35870944 REANGQLVGFOZKD-UHFFFAOYSA-N 323.318 3.419 0 40 DGAB CC(C)(C)C(=O)CSc1nnc(COc2ccc(F)cc2)o1 44865781 GUBMLNDNEUEEFR-UHFFFAOYSA-N 324.377 3.495 0 40 DGAB COc1cc(CN(C)C(=O)c2ccccc2O)ccc1SC 58290353 KXINZKDKVGUOTC-UHFFFAOYSA-N 317.410 3.395 0 40 DGAB Cc1occc1C(=O)NC[C@H](O)c1ccccc1C(F)(F)F 58343462 IJOULROQXXJTKR-ZDUSSCGKSA-N 313.275 3.070 0 40 DGAB Cc1ccc([C@@H](NCc2c(C)nn(C)c2N(C)C)C2CC2)cc1 58392982 MCNZQZKACIUOHO-GOSISDBHSA-N 312.461 3.344 0 40 DGAB CC(C)Cc1nnc(NC(=O)c2cccc(N(C)C)c2)s1 3393246 OXGBJWCJFYMJMT-UHFFFAOYSA-N 304.419 3.055 0 40 DGAB O=C(Nc1cccc2ccccc12)C1(n2cnnn2)CCCCC1 36360194 SGRIVJVUSHKOEK-UHFFFAOYSA-N 321.384 3.124 0 40 DGAB CSc1cccc(NC(=O)COC(=O)c2cc(C)oc2C)c1 3567465 SGFCGVOJAKVJOM-UHFFFAOYSA-N 319.382 3.414 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](C(=O)O)[C@H]2c2cccs2)cc1 3888161 PRTGINCKDPPNSZ-DOMZBBRYSA-N 301.367 3.235 0 40 DGAB Cc1ccccc1-c1noc([C@@H]2CC(=O)N(Cc3ccco3)C2)n1 38671131 WIUDMHACAQIAQE-CYBMUJFWSA-N 323.352 3.154 0 40 DGAB C[C@@H](c1ccccc1)[C@H](CO)Nc1nccc(C(F)(F)F)n1 69669754 FGPBCDNXHYLMMT-JQWIXIFHSA-N 311.307 3.072 0 40 DGAB Cc1cc(C2=NN=C(NCc3ccccc3)SC2)c(C)n1C 6053788 AGNDPBSMTXFBLH-UHFFFAOYSA-N 312.442 3.239 0 40 DGAB COc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 6406232 CKLGSHOLIQAGGQ-UHFFFAOYSA-N 322.393 3.312 0 40 DGAB CC(C)(C)OC(=O)N1CCC(OC(=O)C[C@@H]2C=CCC2)CC1 92697413 YMCNGZLRMIJTDU-CYBMUJFWSA-N 309.406 3.285 0 40 DGAB CC(=O)N1C[C@@H](C(=O)Nc2cc(C)ccc2C)Oc2ccccc21 15518925 DQEUTMHMJAXDKY-SFHVURJKSA-N 324.380 3.056 0 40 DGAB c1ccc2sc(-c3csc(N4CCOCC4)n3)nc2c1 8921630 IXIZOIQPYJKWDW-UHFFFAOYSA-N 303.412 3.256 0 40 DGAB CC(C)(C)n1cc([C@@H]2NC(=O)c3cc(Cl)ccc3N2)cn1 67964397 LKOWPPDCJFTIKP-ZDUSSCGKSA-N 304.781 3.146 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)COC1CCCCC1 69352042 NMNKFIQGEYOTEU-CVEARBPZSA-N 303.402 3.017 0 40 DGAB CC(C)CCC(=O)N1CC[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 72293582 CVDMFXGTANVGML-UONOGXRCSA-N 312.454 3.184 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCCc3ccccc3)no2)cc1 96105676 HGZPQAIXXGCROW-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB Cc1nc(C(=O)N2CCCN(C)c3ccc(F)cc32)cs1 72293344 MVBUBWZFQWGHFV-UHFFFAOYSA-N 305.378 3.077 0 40 DGAB N=c1sc(-c2cccs2)nn1CC(=O)c1cccs1 9434576 AEBBXHIYKOZGMW-UHFFFAOYSA-N 307.425 3.097 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)c1 9499109 HHMLXGNAFKIYMI-GFCCVEGCSA-N 310.353 3.275 0 40 DGAB Cc1ncc(Cl)c(C(=O)N[C@H](c2ccccc2)C2CC2)n1 71916479 JEERGHBJQZOGDV-CQSZACIVSA-N 301.777 3.320 0 40 DGAB O=C(Nc1ccc(F)cc1)N[C@H](CCCO)c1ccccc1 71921041 COXBVNQMSDENRJ-MRXNPFEDSA-N 302.349 3.461 0 40 DGAB COc1ccc(NC(=O)N(C)CCOc2ccccc2F)cc1 23233851 GLHWHBFQWASMSN-UHFFFAOYSA-N 318.348 3.377 0 40 DGAB C[C@@H]1CCCCN1C(=O)CSc1ncnc2ccsc12 9690587 VYCMKJQPUGQSTQ-SNVBAGLBSA-N 307.444 3.184 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](OC(=O)c1ccoc1)C(F)(F)F 84011962 SLDWGUOWQQRJLT-LLVKDONJSA-N 302.252 3.090 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(F)cc1 113959845 YVLCSKUHFPBNPO-OAHLLOKOSA-N 305.324 3.439 0 40 DGAB O=C(N[C@@H](c1ccccc1)c1nc[nH]n1)c1cc2ccccc2o1 95467854 RXOMEAMLHMRSHG-INIZCTEOSA-N 318.336 3.070 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC[C@H]1COC3(CCCC3)O1)CCCO2 95459721 OUSOHJLNENTHGC-RDJZCZTQSA-N 317.429 3.484 0 40 DGAB Cc1cnc(NC(=O)N[C@@H](C)CN(C)Cc2ccccc2)s1 95986873 JVRBHLJZCDJMHS-LBPRGKRZSA-N 318.446 3.094 0 40 DGAB Cc1csc(CNC[C@@H](O)c2ccc(Cl)c(F)c2)n1 95977588 RXNFPKCFGXVHNQ-GFCCVEGCSA-N 300.786 3.067 0 40 DGAB Cc1cc(NCCc2nnc3ccccn23)c2ccccc2n1 89583206 MIHHZPUQKCFVRQ-UHFFFAOYSA-N 303.369 3.241 0 40 DGAB CO[C@]1(C)C[C@@H](N(C)C(=O)Cc2noc3ccccc23)C1(C)C 75295418 RVUZRPGEQNPANG-CRAIPNDOSA-N 316.401 3.032 0 40 DGAB CCOc1ccc2ccccc2c1[C@@H]1NC[C@@H](C(=O)O)S1 408980812 XWWXQKFSXGYAHM-DZGCQCFKSA-N 303.383 3.027 0 40 DGAB Cc1ccc(OCCNC(=O)N2CCc3sccc3C2)cc1 32889523 IKUDDEKFLCMOHH-UHFFFAOYSA-N 316.426 3.203 0 40 DGAB CCN(C[C@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)o1 39972148 CVPNGKCFUBEKIW-NSHDSACASA-N 321.760 3.235 0 40 DGAB Cc1ccccc1CN(C)C(=O)[C@H](C)SC1=NCCS1 73573465 VNFBCHQAYIWTML-LBPRGKRZSA-N 308.472 3.178 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)N1C[C@H]2CCC[C@@H]2C1 122222120 HXPKQSJGRHMYKP-CHWSQXEVSA-N 322.380 3.115 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2noc3c2CCCCC3)cc1 36357588 UPLYOIIRICXMFL-UHFFFAOYSA-N 313.357 3.154 0 40 DGAB [O-][n+]1ccccc1SCCCc1nc(-c2cccs2)no1 61280822 FSCSILSUGNPHHJ-UHFFFAOYSA-N 319.411 3.156 0 40 DGAB CN(C)C(=O)c1cccc([C@H]2CCCN2C2CCCCC2)n1 72355751 MWVFLPAISRXEKF-QGZVFWFLSA-N 301.434 3.253 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 219488605 QAXKJAPQLKXSDX-CVEARBPZSA-N 313.397 3.346 0 40 DGAB Cc1nc(NC(=O)N[C@@H](CCCO)c2ccccc2)sc1C 77516842 YYQVETSCAAMKJZ-AWEZNQCLSA-N 319.430 3.395 0 40 DGAB CCOC[C@H]1CCCN(C(=O)NCCSc2ccccc2)C1 79305988 XTYDBIBDMUQTIT-HNNXBMFYSA-N 322.474 3.237 0 40 DGAB Cc1occc1SCC(=O)N1CCC[C@@H](C(F)(F)F)C1 131294040 IRIAILDYPTWTML-SNVBAGLBSA-N 307.337 3.481 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2cccc(F)c2)C1 89223583 CMKPBBAKIIMGLF-CQSZACIVSA-N 308.397 3.172 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)C1 195551016 DCXCWXWFNSMODT-KURKYZTESA-N 323.392 3.267 0 40 DGAB Cc1cc(CNC(=O)N2CCc3c(cccc3C(C)C)C2)on1 190430495 LSYVCJLFNNIYSP-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB CC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NCCC(C)C 222824367 AJQCUHDRXYIOMV-CYBMUJFWSA-N 324.852 3.239 0 40 DGAB COC(=O)c1ccc(OC)c(NC(=O)c2ccc(C)c(C)c2)c1 225578318 SHPXXNNLWFJNFM-UHFFFAOYSA-N 313.353 3.351 0 40 DGAB CCc1ccc(N(C)S(=O)(=O)c2ccc(OC)c(C)c2)cc1 224643677 OHFPHFZUTSXMEY-UHFFFAOYSA-N 319.426 3.391 0 40 DGAB C[C@H](NC(=O)C(=O)Nc1cccc2ncccc12)c1ccccc1 48578752 MLBNAERUZNMVST-ZDUSSCGKSA-N 319.364 3.051 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2OC)cc1COC 224685944 RSLBIZJOFYDYIC-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB Cc1nnc(NC(=O)N(C)Cc2ccc(Cl)s2)s1 43412193 FCQWFNZZYUUARM-UHFFFAOYSA-N 302.812 3.225 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)Cc1ccccc1F 225445378 MXTBKFZODNJJSU-UHFFFAOYSA-N 314.360 3.145 0 40 DGAB CC(C)n1ncc2c(C(=O)NC3CCCC3)c3c(nc21)CCC3 49546665 JXKXTQSNECAEPN-UHFFFAOYSA-N 312.417 3.173 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(Cl)cc1 224296780 RWJPWISHCUXYFG-UHFFFAOYSA-N 319.796 3.457 0 40 DGAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)NC1CCCCC1 225721902 AGHKYMAYZKXOGL-UHFFFAOYSA-N 318.804 3.104 0 40 DGAB CC[C@@H](NC(=O)N1CCC[C@@H]1c1cc(C)no1)c1nccs1 331373007 APZORMHNMSTLBB-VXGBXAGGSA-N 320.418 3.437 0 40 DGAB CC(C)(C)OC(=O)[C@@H](N)Cc1cccc(F)c1C(F)(F)F 199831734 WGMCWXSVOQYLPY-JTQLQIEISA-N 307.287 3.056 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1C[C@H](c2ccsc2)C[C@H]1C 97230959 KCNZHRHAXNSHHT-TZMCWYRMSA-N 323.458 3.432 0 40 DGAB Fc1ccccc1CN1CCC(CN[C@@H]2CCSC2)CC1 96477298 WBRVCGSCRMTEAW-MRXNPFEDSA-N 308.466 3.133 0 40 DGAB COC(=O)CCN(C(=O)c1ccoc1C)c1ccccc1C 97377140 LGWXEPPLUNSTEO-UHFFFAOYSA-N 301.342 3.106 0 40 DGAB Cc1nc(-c2ccnc(NCc3cnc(C4CC4)s3)c2)n[nH]1 585139156 VZAKWQONWXZGAQ-UHFFFAOYSA-N 312.402 3.121 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCO[C@H]1CCCC[C@H]1C 252476750 AVSZIITZOAKFPG-XUJVJEKNSA-N 323.437 3.247 0 40 DGAB CC1(c2ncc(Cl)s2)CCN(C(=O)c2ccncc2)CC1 257294482 QUJNFFVDFNNPQY-UHFFFAOYSA-N 321.833 3.385 0 40 DGAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2Cc1cc(F)cc(F)c1 585108979 JXTDCDQVOQWQFC-IRXDYDNUSA-N 322.399 3.186 0 40 DGAB CCCS(=O)(=O)N(Cc1ccccc1)Cc1ccccc1 58791621 KPXNHIBEMUADFS-UHFFFAOYSA-N 303.427 3.429 0 40 DGAB C[C@H](CCC[C@@H](C)C(=O)O)NCc1cnn(-c2ccccc2)c1 97212615 DQYYQWNHBZGBTE-HUUCEWRRSA-N 315.417 3.241 0 40 DGAB CCc1ccc(CC)c(C(=O)Cn2nnc(-c3ccccc3)n2)c1 5325786 WSQDXPDNMXEUQA-UHFFFAOYSA-N 320.396 3.348 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 5793803 LGACXVYQLUHXOK-ILXRZTDVSA-N 301.386 3.148 0 40 DGAB COc1ccc(NCc2cc3cccc(C)c3[nH]c2=O)c(OC)c1 12492355 CDDDVDPLAIVCSA-UHFFFAOYSA-N 324.380 3.466 0 40 DGAB CN(C)[C@H](CNC(=O)CCc1ccccc1)c1ccsc1 13011177 FQXIVKDBRAIHPA-MRXNPFEDSA-N 302.443 3.100 0 40 DGAB CC(C)(C)c1noc([C@H]2CCN(Cc3cccc(F)c3)C2)n1 19084633 KMYHPSBKUYDYFJ-ZDUSSCGKSA-N 303.381 3.496 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)N[C@H](C)Cc2ccccn2)cc1C 19214199 QSPRVNHLOWYRKE-CVEARBPZSA-N 312.413 3.213 0 40 DGAB C[C@@H]1CCc2onc(C(=O)NCc3ccc(Cl)cc3)c2C1 7000147 WTFSVBXXTKMDEX-SNVBAGLBSA-N 304.777 3.383 0 40 DGAB O[C@@H](CCN=c1[nH]cnc2ccc(Cl)cc12)c1ccsc1 1888947684 ASFIIBUDFDBDRV-AWEZNQCLSA-N 319.817 3.302 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ccc(Cl)cn2)C1 2087130937 SRLAHYVPYQKIIZ-ZDUSSCGKSA-N 309.841 3.208 0 40 DGAB O=C(Nc1c2c(nn1-c1ccccc1)CSC2)c1ccco1 189440 OHQXHCUBXRFCGE-UHFFFAOYSA-N 311.366 3.464 0 40 DGAB Cc1sc2nc(C)n(N)c(=O)c2c1-c1ccc(Cl)cc1 711301 IGHFAGWXHSYULO-UHFFFAOYSA-N 305.790 3.109 0 40 DGAB O=C(CSc1ccc(-c2ccco2)nn1)N1CCCCCC1 4357843 ONQVKAPKFWAXET-UHFFFAOYSA-N 317.414 3.231 0 40 DGAB O=C(NCCc1ccc(N2CCCC2)cc1)c1ccccc1F 16847192 WLLTVNKHWMGRDL-UHFFFAOYSA-N 312.388 3.398 0 40 DGAB CCc1nccn1CC1CN(c2nc3cc(Cl)ccc3o2)C1 2086889793 HPBNONMOBHADFB-UHFFFAOYSA-N 316.792 3.377 0 40 DGAB c1cc(N2CCC[C@H](COc3nccs3)C2)nc(C2CC2)n1 2298184012 RLLKSGZIWGDDDH-LBPRGKRZSA-N 316.430 3.106 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)Nc1nccs1 10405646 LWKTVZYMROWPCF-UHFFFAOYSA-N 301.375 3.029 0 40 DGAB CCOC(=O)c1cnc2c(C)cc(C)cc2c1NCCN(C)C 132710 NWDDWVHLDCNPGS-UHFFFAOYSA-N 315.417 3.002 0 40 DGAB Cc1cc2cc(NS(=O)(=O)c3ccc(F)cc3)ccc2[nH]1 31721960 PLFATCXXKKMESY-UHFFFAOYSA-N 304.346 3.416 0 40 DGAB COc1ccc(C2=CCN(Cc3nc(C4CC4)no3)CC2)cc1 40540717 MTPRTFVWZKMCLF-UHFFFAOYSA-N 311.385 3.245 0 40 DGAB C[C@H]1CN(CC(=O)NCc2ccccc2)c2ccccc2S1 21093676 GPXCFUIGPCJQNU-AWEZNQCLSA-N 312.438 3.304 0 40 DGAB Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2cccc(F)c2)cc1 164326 DWMZNJUQCOXNNI-UHFFFAOYSA-N 320.331 3.167 0 40 DGAB O=C(CCN1CCSC1=O)Nc1cccc(C(F)(F)F)c1 8113095 NFAOQVYFZBVQIY-UHFFFAOYSA-N 318.320 3.203 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H](C)SC[C@H](C)CO 72298271 JYWGSUPJIIHCOZ-KOLCDFICSA-N 301.839 3.337 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2cccs2)ns1 11916749 XLOVCYICZGZHBT-UHFFFAOYSA-N 317.395 3.284 0 40 DGAB O=C1CN(C(=O)c2cc(Cl)ccc2F)c2ccccc2N1 32780809 UBELOFJVVBJGKM-UHFFFAOYSA-N 304.708 3.078 0 40 DGAB Cc1cc(=O)oc2cc(OCc3nnsc3Cl)ccc12 29996255 YJYHHPDKONQHOC-UHFFFAOYSA-N 308.746 3.185 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)c2scnc2C)c1 46765338 JDSDCXQMGZQMLE-AWEZNQCLSA-N 302.399 3.437 0 40 DGAB Cc1csc(CNC(=O)NC[C@@H](C)Cc2cccs2)n1 76085186 GOOMBTZNNSTCJV-JTQLQIEISA-N 309.460 3.191 0 40 DGAB CCCN(C(=O)c1cnccn1)[C@H]1C[C@@H](OCC)C12CCCC2 76019353 RQUAUXRTKUOOQO-JKSUJKDBSA-N 317.433 3.067 0 40 DGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1ccccc1O 3510697 RKNYNEBXCOZZEC-UHFFFAOYSA-N 314.337 3.351 0 40 DGAB COc1ccc(NC(=O)CN(C)C(=O)CCC2CCCC2)cc1 8313265 JEXOQRPGGZCQNR-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2nc3ccccc3s2)C1 8570127 YTMAUIPJKCYPRM-VXGBXAGGSA-N 303.431 3.213 0 40 DGAB CCc1nc2sc3c(c2c2nnc(C)n12)CC(C)(C)OC3 528609 DXAKYCQXKLQCNN-UHFFFAOYSA-N 302.403 3.061 0 40 DGAB CCn1ncc(Br)c1-c1nc(-c2ccccc2)no1 2806668 XKVBVUPHYOITOJ-UHFFFAOYSA-N 319.162 3.383 0 40 DGAB CC(C)c1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CCCO1 9416925 HVELSRUWCHJXKN-CABCVRRESA-N 304.434 3.296 0 40 DGAB CCn1c(CN[C@@H](C)[C@@H](C)n2cccn2)nc2cc(F)ccc21 70018029 RUMYZRYSMCYEJT-QWHCGFSZSA-N 315.396 3.131 0 40 DGAB O=C(OCc1ccccc1)c1ccc(O[C@@H]2CCCNC2)cc1 42782918 SHFMIPAQYBLKGY-GOSISDBHSA-N 311.381 3.174 0 40 DGAB Cc1nc(NC[C@@H]2CCCO2)c2c3c(sc2n1)CCCC3 3069122 HJOIGETYHHCZBH-NSHDSACASA-N 303.431 3.469 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2c(F)cc(Cl)cc2F)[C@@H]1C 97048853 YBFDTQPCTWDETA-SFYZADRCSA-N 304.724 3.259 0 40 DGAB C[C@@H]1[C@@H](NC(=O)CCc2nc(C(C)(C)C)no2)CCC[C@H]1C 106062257 CFYBRMHHPJEEMB-AGIUHOORSA-N 307.438 3.241 0 40 DGAB CN(C(=O)c1cnc2ccccc2n1)[C@H]1CCc2ccccc21 24774830 YVAZWSVEGSKWOK-SFHVURJKSA-N 303.365 3.389 0 40 DGAB Cn1c(CSc2nncn2C2CC2)nc2cc(Cl)ccc21 43242542 IFPYJWDRCZWQLB-UHFFFAOYSA-N 319.821 3.445 0 40 DGAB Cc1cc(N2C[C@H](C)O[C@@H](C)C2)n2cc(-c3ccccc3)nc2n1 1384179 OVHWPPLFYVJFGT-GJZGRUSLSA-N 322.412 3.318 0 40 DGAB C[C@H]1CN(C)CC[C@@H]1NC(=O)C[C@H](C)CCc1ccccc1 106578296 NNAFXOAKLKUCHA-RYRKJORJSA-N 302.462 3.102 0 40 DGAB CC(=O)Nc1cccc(N[C@@H](C)C(=O)Nc2ccccc2C)c1 12554511 HXAVIRGRLOKOCZ-ZDUSSCGKSA-N 311.385 3.393 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(Cl)cn1)CC2=O 100629192 RVGVZEXNARTZPO-HZPDHXFCSA-N 306.793 3.459 0 40 DGAB O=S(=O)(CC1CCCCC1)NCC1(c2ccccc2)CC1 72230468 PWXWJTMWJSGWPV-UHFFFAOYSA-N 307.459 3.218 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)Nc1cnn(C)c1 25307055 NXQJMBCDEOVRIZ-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55945411 RROMGLLSXIGLHD-ZBFHGGJFSA-N 318.348 3.081 0 40 DGAB Cc1ccc(CC(=O)N2CCN(C)C[C@H]2c2ccccc2)s1 57042547 UBBMBJXPNWDEQP-KRWDZBQOSA-N 314.454 3.114 0 40 DGAB O=C(COC(=O)c1ccncc1)Nc1ccc2ccccc2c1 3229695 GKCHVMFQWPRSIA-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB COc1cccc(NC(=O)c2c(Cl)nc3sccn23)c1 3231221 LMIRROCKZOTPPV-UHFFFAOYSA-N 307.762 3.310 0 40 DGAB C[C@H]1CCc2c(C(=O)Nc3ccnc4ccnn34)csc2C1 108716937 BAGLKKGFKDJCMI-JTQLQIEISA-N 312.398 3.168 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NC[C@H](c2ccsc2)N(C)C)o1 44951248 RESQXFRBMBCMIC-GXTWGEPZSA-N 321.446 3.313 0 40 DGAB C[C@@H](CNS(=O)(=O)c1cc(F)cc(F)c1)c1ccccc1 10511710 XALULRARDYGNQD-NSHDSACASA-N 311.353 3.047 0 40 DGAB Cc1nc(CCNC(=O)N2CC[C@@H]2c2ccccc2)cs1 45489132 QNGIZFQYEKRAPE-OAHLLOKOSA-N 301.415 3.151 0 40 DGAB Cc1c(CNc2nc(C3CC3)cc(C(F)(F)F)n2)cnn1C 36613418 QRAPKGSSGZQREP-UHFFFAOYSA-N 311.311 3.027 0 40 DGAB CC(C)Cn1c(CCNC(=O)C(C)(C)C)nc2ccccc21 2460896 WHHFOWDLUWNOOQ-UHFFFAOYSA-N 301.434 3.397 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)C3CC3)cc2)C1 48300586 AGMVVBKFPUEOMZ-GASCZTMLSA-N 300.446 3.191 0 40 DGAB CC(=O)N(C)c1nc(CN(C)[C@@H]2CCc3ccccc32)cs1 48311536 QPCHUKGOTLMDNG-MRXNPFEDSA-N 315.442 3.245 0 40 DGAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@@H](n2ccnc2)C1 69657178 VGYIDRJADMKSMQ-GOSISDBHSA-N 320.396 3.151 0 40 DGAB COc1cc(OC)c2nc(C)c(CN3CCCCC3)c(O)c2c1 8717252 CAUQVBYPIAJPHL-UHFFFAOYSA-N 316.401 3.252 0 40 DGAB COC(=O)CCSc1nc(C)nc2c1oc1ccccc12 5164536 JGFLXADCHGZVIN-UHFFFAOYSA-N 302.355 3.340 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCO1 65551770 IGGUYQYCTADMQY-GFCCVEGCSA-N 301.358 3.139 0 40 DGAB COc1cc(CC(=O)NCCSc2ccccc2)ccc1C 14255372 OXGIYJXMBRDYBC-UHFFFAOYSA-N 315.438 3.455 0 40 DGAB CCCCC(=O)Nc1ccc(C(=O)Nc2nnc(C)s2)cc1 4649095 CQBFARCAENAXSZ-UHFFFAOYSA-N 318.402 3.228 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 69872745 VAXDVDBXWLNNBI-FUHWJXTLSA-N 309.413 3.085 0 40 DGAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cc(F)ccc1F)OC2=O 4720642 XBQVXVQKRWGHBD-CVEARBPZSA-N 309.312 3.025 0 40 DGAB COc1ccc2oc(=N)c(C(=O)Nc3ccccc3OC)cc2c1 4752004 HYVWHVWEFLMJDY-UHFFFAOYSA-N 324.336 3.182 0 40 DGAB O=c1c2ccccc2ncn1Cc1cccc(C(F)(F)F)c1 6848048 HXDWGIWENJYLNO-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB C[C@@H](Oc1ccc(C(N)=O)cc1)c1nc(-c2cccs2)no1 72305374 GXJFKCMTKSDGQK-SECBINFHSA-N 315.354 3.037 0 40 DGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@H]2CC=CCC2)c1 15665966 UTAAVDPKWCJQCO-JTQLQIEISA-N 313.806 3.038 0 40 DGAB Cc1nnc([C@@H](C)Sc2nnc(Cc3ccccc3F)o2)o1 67954619 ZTEBWTHKWJROHW-MRVPVSSYSA-N 320.349 3.344 0 40 DGAB CC(C)(C)OC(=O)NCc1nnc(SCc2ccccc2)o1 7997186 FLUGWGJZCOINCZ-UHFFFAOYSA-N 321.402 3.387 0 40 DGAB Cc1noc(C)c1[C@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCC1 71283348 KFGYFRYGCRODQT-LLVKDONJSA-N 316.361 3.020 0 40 DGAB O=C(N[C@H](CCO)C1CC1)c1ccc(SC(F)(F)F)cc1 84387967 FKAXQSSEMOFIQT-GFCCVEGCSA-N 319.348 3.189 0 40 DGAB Cc1cnc(CNC(=O)N[C@@H](C)c2csc(C3CC3)n2)s1 96440213 LERCPUTTWYGULV-VIFPVBQESA-N 322.459 3.346 0 40 DGAB Cc1cccc(-c2ccc(CNC(=O)c3cc[n+]([O-])cc3)cc2)c1 71910472 BCWTZGWDMIFKRC-UHFFFAOYSA-N 318.376 3.225 0 40 DGAB Cc1cnccc1CCNC(=O)Nc1cccc(-c2ncco2)c1 95437977 XIZYVBXBPQEBTP-UHFFFAOYSA-N 322.368 3.409 0 40 DGAB c1cc(CNc2ccc(Cn3cccn3)cc2)c2[nH]ncc2c1 95428667 DSJQCHRNQWLCFY-UHFFFAOYSA-N 303.369 3.420 0 40 DGAB CC(C)n1cc(C(=O)N[C@@H]2CN3CCC2CC3)c2ccccc21 95479265 KUULWKPQAXGQAA-QGZVFWFLSA-N 311.429 3.046 0 40 DGAB COc1ccc([C@H]2C[C@@H](C)CN2Cc2cnc3cnccn23)cc1 95982906 FTPFVWFGMFIVKC-RDTXWAMCSA-N 322.412 3.321 0 40 DGAB Cc1ncsc1CCN[C@@H](C)c1ccc2c(c1)OCCO2 95984283 HUUNJXIAEZSPBW-NSHDSACASA-N 304.415 3.116 0 40 DGAB Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1 35571348 FNYOAUTWNGUZLV-KBPBESRZSA-N 305.374 3.030 0 40 DGAB O=C(NCCCn1ncc2ccccc21)[C@H]1C[C@H]1c1ccccc1 72239475 OJULJCKKTRWGIF-ROUUACIJSA-N 319.408 3.346 0 40 DGAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@H]1CCCO1 38755273 NXYBSMNCYRABQD-QZTJIDSGSA-N 313.397 3.292 0 40 DGAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@H](c2ncc[nH]2)C1 75552520 GZYODGIIILRCFU-JGUIRARASA-N 313.445 3.188 0 40 DGAB CCn1cc(-c2cncn2CCCn2ccnc2C(C)C)cn1 72399282 RNOPLKMJGWYSHH-UHFFFAOYSA-N 312.421 3.177 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CCC(=O)[C@]3(C)CCC(=O)O)[C@@H]1CC[C@@H]2O 77311990 COGRAKQBTBRYQC-HHJOSPGFSA-N 308.418 3.024 0 40 DGAB in-vitro CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C(C)C 222794266 XYHIJTZKNWYYOE-JKSUJKDBSA-N 314.458 3.456 0 40 DGAB CN(CCC1CCOCC1)Cc1ccc2oc(C(=O)O)cc2c1 568066257 VGDGXYWYYDQACX-UHFFFAOYSA-N 317.385 3.380 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@@H](C)OCC(C)C)CC2)c1C 42720559 RGRWRQUGKNXTFF-QGZVFWFLSA-N 318.461 3.013 0 40 DGAB O=C(NCCc1cncnc1)c1ccc(Oc2ccccc2)cc1 225589340 VWRSPJSZRTXLAC-UHFFFAOYSA-N 319.364 3.241 0 40 DGAB COc1cccc(C2=NO[C@@H](c3nc(-c4ccncc4)no3)C2)c1 193200206 UNOXLHCPYRNWFO-OAHLLOKOSA-N 322.324 3.006 0 40 DGAB CN(C)c1ccnc(CNC(=O)Nc2ccc3ccccc3c2)n1 224193927 NRTBCWRWQFGXKQ-UHFFFAOYSA-N 321.384 3.018 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(c2ncccc2F)C1 96466746 ZQVHAQRESUZMCV-CHWSQXEVSA-N 323.412 3.350 0 40 DGAB CN1CC[C@@H](Nc2ccc(Oc3ccc(Cl)cn3)cc2)C1=O 96437254 FJIJLOAEDRVLSF-CQSZACIVSA-N 317.776 3.170 0 40 DGAB COC[C@@H]1CN(Cc2ccsc2)Cc2cn(CC3CC3)nc21 96198119 JFHCEURBGSTSIX-INIZCTEOSA-N 317.458 3.100 0 40 DGAB Cc1cc(C(=O)N2CC[C@@]3(CCCN(CC(C)C)C3)C2)c(C)o1 96215286 BGUCKWGITLXTNO-LJQANCHMSA-N 318.461 3.481 0 40 DGAB c1cc(CN2Cc3cncn3C[C@H](COCC3CC3)C2)cs1 96208003 QULIFUITEJDDEZ-MRXNPFEDSA-N 317.458 3.003 0 40 DGAB CCC(CC)n1ncc(C(=O)N[C@H](C)c2nccc(C)n2)c1C 585088149 MQZLSLVJDAABQT-GFCCVEGCSA-N 315.421 3.142 0 40 DGAB C[C@H](CN1CCC[C@H]1c1nncn1C)c1cccc(Cl)c1 249464316 GIGSBEMMPNFGKL-DOMZBBRYSA-N 304.825 3.409 0 40 DGAB CCCCCOCC(=O)NCc1nc(-c2ccccn2)cs1 585126475 ZYJOVBATVGCMLX-UHFFFAOYSA-N 319.430 3.028 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 257203080 AOOYOLZCGCXPDC-OAHLLOKOSA-N 315.392 3.196 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@H]2c2ccncc2)s1 43556443 AVIDEMDGCZWPCY-LBPRGKRZSA-N 317.418 3.255 0 40 DGAB CC(=O)N1CCC(CCN[C@@H]2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)CC1 252486795 NHBNGSRXBDPAAA-MTHXSQLBSA-N 304.478 3.049 0 40 DGAB Cc1nc(CN2CCC[C@@H]2c2ccnc(N(C)C)c2)cs1 257287435 PPZDVJUGZVBFJG-OAHLLOKOSA-N 302.447 3.250 0 40 DGAB Cc1ccc2snc(C(=O)N3CCC[C@@H]3c3ccn[nH]3)c2c1 295264131 HBUIGHQTDLPTRY-CYBMUJFWSA-N 312.398 3.305 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H]1CCCC[C@H]1C 43832276 UCVLOYAMAQMWNK-BXUZGUMPSA-N 324.446 3.099 0 40 DGAB C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@H]1C)c1cccnc1 48067979 WARAASAIRWGPQP-IJEWVQPXSA-N 305.422 3.037 0 40 DGAB CCC(=O)N(C)c1nc(-c2cc(OC)ccc2OC)cs1 418146 QFKTZQXEJFRBBZ-UHFFFAOYSA-N 306.387 3.200 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)Cn2cnc3ccccc32)cc1 5199100 QQNOZZYSERKEQA-CQSZACIVSA-N 307.397 3.476 0 40 DGAB CCN(Cc1ccccc1)C(=O)C(=O)N(CC)Cc1ccccc1 5591654 PXKVHZSNSRQUJB-UHFFFAOYSA-N 324.424 3.084 0 40 DGAB CCOCCOCCO[C@@H](C)Oc1ccc(Cl)cc1C 5838071 MDSKDQUTEXUHJN-CYBMUJFWSA-N 302.798 3.443 0 40 DGAB CCCCSc1nc(O)c2cnn(-c3ccccc3)c2n1 5868896 KYXHWCDBMYVYEG-UHFFFAOYSA-N 300.387 3.413 0 40 DGAB O=C(NO[C@H]1CCCCO1)N(Cc1ccco1)Cc1ccco1 166918642 BDPGMSJEFWICSO-HNNXBMFYSA-N 320.345 3.043 0 40 DGAB Cc1ccc(OCC(=O)NCCOc2cc(C)cc(C)c2)cc1 5814477 DJVYQCHAABNQDD-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1cccc(C(=O)Nc2cc(C)c3nc(NN)sc3c2)c1 226309271 IYZJESXPBIWGME-UHFFFAOYSA-N 312.398 3.451 0 40 DGAB COc1cc(CNC[C@H](C)O)ccc1OCc1ccc(C)cc1 8550147 LVGYXBPNTWYEJG-HNNXBMFYSA-N 315.413 3.053 0 40 DGAB Cc1c2c(nn1-c1nccnc1N1CCC(C)CC1)CCCC2 1888844004 NCBUURNHTVNRAU-UHFFFAOYSA-N 311.433 3.086 0 40 DGAB CCc1cnc(N2CCC[C@@H](COc3ccnc(C)c3)C2)nc1 1776001360 OZPCNFZRYZCGIS-MRXNPFEDSA-N 312.417 3.038 0 40 DGAB O=C(c1ccccc1Br)N1Cc2cccnc2C1 559243006 GQPPDJLHLLXAQG-UHFFFAOYSA-N 303.159 3.000 0 40 DGAB O=C(CSc1cccc2cccnc12)NC(=O)c1ccccc1 138071 PCDKLDUPTZTIQY-UHFFFAOYSA-N 322.389 3.284 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)c3ccccc3F)ccc21 5373608 NKWSKRJZUZHONJ-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB O=C(NC[C@H](c1ccsc1)n1cccn1)c1ccsc1 575614621 ZCUPGLRCSPIOQI-CYBMUJFWSA-N 303.412 3.026 0 40 DGAB Cc1cccc(C(=O)N[C@H]2CCC[C@H](OCC(F)(F)F)C2)n1 40510747 IEUDKTMHMJTANL-RYUDHWBXSA-N 316.323 3.010 0 40 DGAB Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1cccnc1 531420 GOGNDUBSMLYDCK-UHFFFAOYSA-N 322.397 3.046 0 40 DGAB O=C(NCc1ccccc1-n1ccnc1)C1(c2ccccc2)CC1 69560367 XANKSILCKNMXQU-UHFFFAOYSA-N 317.392 3.220 0 40 DGAB O=C(c1cnccn1)N1CCC[C@H]1c1ccccc1C(F)(F)F 69510628 QOZDZMZVEDTCKW-AWEZNQCLSA-N 321.302 3.473 0 40 DGAB C[C@H]([C@H](O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 1639151 USWUWAGJWLNXBZ-APPZFPTMSA-N 302.214 3.212 0 40 DGAB CCOc1ccc(C(=O)CSc2nnc(C3CC3)n2C)cc1 4861180 RKORAZRGVCVFDL-UHFFFAOYSA-N 317.414 3.066 0 40 DGAB O=C1O[C@H](S[C@H](Cc2ccccc2)C(=O)O)c2ccccc21 12274227 MJYYBSOPSYZNSJ-RHSMWYFYSA-N 314.362 3.285 0 40 DGAB CON(C)C(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 47048243 WZNLPNGQCFMMIU-UHFFFAOYSA-N 323.352 3.401 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccc(C)cc2)n1CC 7605331 FPCRANWCOZABAP-UHFFFAOYSA-N 318.446 3.290 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N(C)CCCCc2ccccc2)on1 53082567 AGXVDZHWVSRNRJ-OAHLLOKOSA-N 315.417 3.265 0 40 DGAB C[C@@]1(C(=O)Nc2cccc(Cl)c2)Cc2ccccc2C(=O)O1 534421 YOPMZWOJIUDTJO-KRWDZBQOSA-N 315.756 3.450 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N1CCO[C@@H]2CCC[C@@H]21 53384733 RWGIXUSOOINRLK-NWDGAFQWSA-N 318.398 3.105 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)NCCNC(C)=O)c(C)c1 69618452 OLAIXQUDNKHKTH-LBPRGKRZSA-N 323.462 3.143 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)C1(c2ccc(F)cc2)CC1 47644216 NVNAHLVWTFCBJF-UHFFFAOYSA-N 302.349 3.121 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 104803277 JDFGTTCCVKMFBL-LRCAOYNASA-N 300.402 3.200 0 40 DGAB Cc1ccc(CNC(=O)CCC(=O)c2ccc3c(c2)CCC3)n1C 23593582 QDLKXWOFWVTQRP-UHFFFAOYSA-N 324.424 3.102 0 40 DGAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccc2c(c1)OCO2 23904013 VZLXSTBQOWJDJH-NSHDSACASA-N 317.389 3.289 0 40 DGAB c1cncc(-c2n[nH]cc2CNCCc2c[nH]c3ccccc23)c1 42904389 PVMQGYYRDWZSQZ-UHFFFAOYSA-N 317.396 3.285 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CCc1nc(C(C)(C)C)no1 106062256 CFYBRMHHPJEEMB-FRRDWIJNSA-N 307.438 3.241 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCc2sccc2C1 12558239 OKZMEOZIBHJALV-CYBMUJFWSA-N 312.438 3.084 0 40 DGAB CCCCCNC(=O)[C@@H](C)Sc1ccc(OC)c(OC)c1 22520808 WIRNDACBFIQUCE-GFCCVEGCSA-N 311.447 3.491 0 40 DGAB COc1ccc(CNC(=O)Cc2cc(C)ccc2C)cc1OC 20493061 NRGXROCWDIJFOK-UHFFFAOYSA-N 313.397 3.180 0 40 DGAB Cc1cc(C(=O)CN2CCO[C@@H](c3ccc(F)cc3)C2)c(C)[nH]1 23186614 VLEMCYMHVYSGMZ-GOSISDBHSA-N 316.376 3.027 0 40 DGAB Cc1ncc(CN(C)Cc2nc(Cc3ccccc3)no2)s1 44975989 XGZYXMVXAZJWEL-UHFFFAOYSA-N 314.414 3.057 0 40 DGAB COCCN(Cc1ccccc1)C(=S)NCc1ccccc1 3346059 JUBMDJMKCKNXTH-UHFFFAOYSA-N 314.454 3.210 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Nc1nc2ccccc2[nH]1 3358062 MLIROSNMGQZJEM-UHFFFAOYSA-N 307.353 3.069 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cc(O)nc2ccccc12 10960321 ZPUROJJZWNEADS-QGZVFWFLSA-N 304.349 3.358 0 40 DGAB O=C(Nc1cccc(NC(=O)c2ccco2)c1)c1ccncc1 11177411 OURUXLYSKJUDKP-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB NC(=O)[C@H](OC(=O)c1cccc2ccccc12)c1ccccc1 11238580 KANRGUBUFKUCKW-QGZVFWFLSA-N 305.333 3.223 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)c(C)c1 12793877 VDEJCPXOGAYCRZ-MDZDMXLPSA-N 306.365 3.302 0 40 DGAB COc1ccc(OCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 12866403 NOZUYOHBQCERAJ-GASCZTMLSA-N 306.431 3.078 0 40 DGAB COc1ccccc1C(=O)NCc1ccc(CN2CCCC2)cc1 12866127 KQUWBPLDXQENMB-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB CCn1c(S[C@H]2CCOC2=O)nnc1-c1ccc(Cl)cc1 3498985 PVJKDWQTSPAEDG-NSHDSACASA-N 323.805 3.026 0 40 DGAB O=C(COc1ccc(F)c(Cl)c1)Nc1ccc2c(c1)OCO2 3437982 XBVNURNPTUENJM-UHFFFAOYSA-N 323.707 3.225 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(F)c2)c1C 3587735 KJNZYFVAGUMAGP-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(Cl)c1 12915108 UIEXDWGHPAINMY-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB CCCN(C)c1ccc(C(=O)N(C)Cc2cscn2)cc1 63940690 YLZRBRVQHGNZOP-UHFFFAOYSA-N 303.431 3.262 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1O 5078421 NUBHMDVKGYHAPT-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB COc1ccc(OCCOC(=O)c2cc3ccccc3[nH]2)cc1 5492313 SYDQGEVDSOVREE-UHFFFAOYSA-N 311.337 3.412 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)CCC(=O)NCc2ccccc2)[C@@H]1C 4616994 WUSXKSAGEZGWMQ-INMHGKMJSA-N 316.445 3.024 0 40 DGAB Cc1ccc2nc(CNc3ccc(Cl)cc3F)cc(=O)n2c1 15292033 HTSOVCYLSSNOAP-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Nc2ccccc2)c1C 7222487 MLUYJQXAINAGDH-GFCCVEGCSA-N 300.358 3.101 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CSC[C@H](O)c1ccccc1 69310532 OAWAJZRMHVKMJF-FMKPAKJESA-N 307.459 3.243 0 40 DGAB CCN(C(=O)c1cnn(C)c1)[C@H](Cc1ccc(C)cc1)C1CC1 72297705 JAKSHUUAJZUSLT-GOSISDBHSA-N 311.429 3.212 0 40 DGAB CCC(CC)(CC)NC(=O)Nc1ccc(F)c(C(=O)NC)c1 72296086 WUASPPSYLQXBJG-UHFFFAOYSA-N 309.385 3.276 0 40 DGAB Cc1ccc(NC(=O)NCC[S@](=O)C(C)(C)C)cc1Cl 72289044 ORYXQXCAIOODNE-HXUWFJFHSA-N 316.854 3.317 0 40 DGAB Cc1cc(-c2ccc(S(=O)(=O)Nc3ccccc3)s2)[nH]n1 9686607 VIQJZKBQPCWFRJ-UHFFFAOYSA-N 319.411 3.247 0 40 DGAB C[C@@H](O)CN(C(=O)Nc1ccc2c(c1)COC2)C1CCCCC1 97113540 XCVJBNLBWSHFMA-CYBMUJFWSA-N 318.417 3.264 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N[C@@H]2CCN(C(C)C)C2)c(C)s1 84081837 PHPHJYWSUBMQTR-TZMCWYRMSA-N 309.479 3.208 0 40 DGAB COc1ccc(CCS(=O)(=O)Cc2cc(C)ccc2C)cc1 96997425 IDQQMORDJRKOOG-UHFFFAOYSA-N 318.438 3.470 0 40 DGAB O=C(CCN1Cc2ccccc2C1=O)Nc1cccc2[nH]ccc12 72401075 QOLKZQMHDUDNOP-UHFFFAOYSA-N 319.364 3.153 0 40 DGAB O=C(C[C@@H]1CCOc2ccccc21)Nc1ccc(C2CC2)nn1 84578933 ZCJSMMOIPGHCRB-ZDUSSCGKSA-N 309.369 3.249 0 40 DGAB OCc1ccc(CNc2cc(F)ccc2OC[C@@H]2CCCO2)o1 95429069 SYWHYIAUBILQBD-HNNXBMFYSA-N 321.348 3.081 0 40 DGAB CC[C@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccncc1 95426969 VLNZHJSGIRIXFC-HOTGVXAUSA-N 317.433 3.324 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2ccncc2)cc1 98014096 VQRYYGNQHWJGNQ-MSOLQXFVSA-N 310.397 3.288 0 40 DGAB CN(C)[C@@H](CNC1CC(C(F)F)C1)c1c(F)cccc1F 95945488 XIKGSPJKFVTXNR-ZPPKWKGLSA-N 304.331 3.201 0 40 DGAB OCC1CCN(c2ccc(N[C@@H]3CCc4ccccc43)nc2)CC1 95991584 TUSPAYDZTQCNQB-LJQANCHMSA-N 323.440 3.390 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@@H]1NC1CCSCC1 89662576 DRLNDFUTPYYWAA-OCCSQVGLSA-N 314.495 3.165 0 40 DGAB O=C(c1cccnc1OCC(F)F)N1CCC[C@@H]2CCC[C@@H]21 89816324 OGRLWRXIBBFVFM-AAEUAGOBSA-N 310.344 3.130 0 40 DGAB CC[C@H](Cn1c(C2CCC2)nnc1N1CCCC2(CC2)C1)OC 1513470134 XPPZGCSELHSVMC-OAHLLOKOSA-N 318.465 3.351 0 40 DGAB O=C(O)CCCCCc1ccc(I)cc1 35323989 UTWLOJBITUCZTD-UHFFFAOYSA-N 318.154 3.479 0 40 DGAB COc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 71977367 WGJJESJWIXHLCU-UHFFFAOYSA-N 321.336 3.130 0 40 DGAB CSc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72216925 RQMNTTYLGOLILJ-UHFFFAOYSA-N 310.419 3.291 0 40 DGAB Cc1nc(S[C@H](C)c2nnnn2C)n(C2CCCCC2)c1C 188840906 UGHDFCDTBZHNDX-GFCCVEGCSA-N 320.466 3.382 0 40 DGAB Cc1oc(-c2ccc(N)cc2)nc1CNC(=O)OC(C)(C)C 39320617 QHXMMKIPLDBPOZ-UHFFFAOYSA-N 303.362 3.257 0 40 DGAB CC(C)C(NC(=O)c1ccc(N2CCCC2=O)cc1)C(C)C 219198087 GWMILXANNGCNFA-UHFFFAOYSA-N 302.418 3.224 0 40 DGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC1 216384337 BEEOFAPQVKPXMD-INIZCTEOSA-N 324.852 3.100 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 42646590 VDZIVKKTSWIPST-MRXNPFEDSA-N 324.424 3.470 0 40 DGAB Brc1ccc(C2OCCO2)cc1Br 44231835 VYRQKDFYBBQIRZ-UHFFFAOYSA-N 307.969 3.257 0 40 DGAB NC(=O)c1cccc(OC(=O)c2ccc(-c3cscn3)cc2)c1 87144185 GXNDCUCCLGGLOV-UHFFFAOYSA-N 324.361 3.128 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)(C)C 222710298 XWTSWHBZRXNXHN-AWEZNQCLSA-N 304.434 3.037 0 40 DGAB O=C(NCC[C@H](O)c1ccccc1)NCc1ccc(Cl)cc1 75536102 FFIOFFBAFYZMNR-INIZCTEOSA-N 318.804 3.263 0 40 DGAB COCc1cc(C(=O)Nc2cccc(OC)c2)ccc1OC 224398353 WEPWETBPAMMZSE-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CCOc1ccccc1N(CC)S(=O)(=O)c1cccs1 225124372 ZVUDIZUPYLOIJS-UHFFFAOYSA-N 311.428 3.362 0 40 DGAB COc1ccccc1Oc1ncnc(NCc2ccccc2)c1N 40709392 JOGHFJZOYUZYQY-UHFFFAOYSA-N 322.368 3.472 0 40 DGAB CN(C)c1noc(CN[C@H](c2ccc(F)cc2F)C(C)(C)C)n1 192786167 JTYMSXFPXCGYQT-CQSZACIVSA-N 324.375 3.291 0 40 DGAB COCc1ccccc1NC(=O)NC[C@](C)(O)C1CCCCC1 192056542 WVIDLUHRWQCJIY-SFHVURJKSA-N 320.433 3.286 0 40 DGAB C[C@H]1CC(NC[C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H](C)O1 96493321 PTNWHLDIWJUVMX-ZCQXEVHSSA-N 316.489 3.444 0 40 DGAB CCNCc1ccccc1NC(=O)Cc1cccc(F)c1F 96461112 GKAKYJQWAFWDTI-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB Cc1ncc(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)s1 96442377 ZPURCGIWDIUNKI-CYBMUJFWSA-N 302.399 3.135 0 40 DGAB Fc1ccc(CNc2cccc(CN3CCOCC3)c2)cc1 96482802 FHCXYFSCTQBMQX-UHFFFAOYSA-N 300.377 3.270 0 40 DGAB c1ccc(N2CCC[C@@]3(CCN(Cc4nccs4)C3)C2)nc1 96216643 BJQNRZJQQPUICT-KRWDZBQOSA-N 314.458 3.031 0 40 DGAB CC(C)(C)c1cc(=O)n(C[C@@H](O)c2ccc(Cl)c(F)c2)cn1 585085126 GJUGMTBWIUXMKG-CYBMUJFWSA-N 324.783 3.067 0 40 DGAB Cc1ccc(Nc2scnc2C(=O)N(C)CCCCO)cc1 585122163 OWXJPTSSGGGBMM-UHFFFAOYSA-N 319.430 3.040 0 40 DGAB COC(=O)c1cn(Cc2cccc(Cl)c2)nc1C(F)(F)F 575441299 AYBDDOFNEFRVQU-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB CC(C)[C@@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cn1 679389511 GPTLXRWIULXCHA-QGZVFWFLSA-N 313.376 3.316 0 40 DGAB COc1cc(OC)c2[nH]c(C(=O)Nc3ncccc3C)cc2c1 45548072 WACJIRIZOOTOFG-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCC(N2CCCCC2)CC1 58937027 CQFYGINCBRXUQU-UHFFFAOYSA-N 318.486 3.327 0 40 DGAB O=C(NCc1csc2ccccc12)[C@@H]1CCc2cn[nH]c2C1 79588352 DHJPXBZAXJFWER-LLVKDONJSA-N 311.410 3.046 0 40 DGAB c1ccc(-c2nc3c(c(-n4ccc5cnccc54)n2)CCC3)nc1 1857523979 KQCNNLRNSIXEJU-UHFFFAOYSA-N 313.364 3.366 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](CC4)[C@@H]3C2=O)cc1 15962781 LXKDCMXDCMYIEL-RMHZUWNSSA-N 311.381 3.177 0 40 DGAB CC(C)n1nccc1NC(=O)CCn1ccnc1-c1ccccc1 19454603 NVALBNBBQNUORW-UHFFFAOYSA-N 323.400 3.356 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2ccc(F)cc2)o1 4329721 LMRXXTMERRUGSC-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cn1c(=O)cc(OC(=O)c2ccc(Cl)cc2)c2ccccc21 6666607 RUGCDJLIGKPNEW-UHFFFAOYSA-N 313.740 3.411 0 40 DGAB Fc1cccc(N=c2[nH][nH]c(=Nc3cccc(F)c3)s2)c1 1889071925 JQZVTOJMDQUNJD-UHFFFAOYSA-N 304.325 3.147 0 40 DGAB Cc1cc(CC(=O)N2CC[C@@H](c3ccc(F)cc3)C2)ccc1O 245174494 YPKKPVXKACWTHM-MRXNPFEDSA-N 313.372 3.398 0 40 DGAB O=C1CCc2cc(NC(=O)c3ccc(Cl)cc3)ccc2N1 17155539 OONSOPDCTMWUBJ-UHFFFAOYSA-N 300.745 3.477 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)/C=C/c1ccc2c(c1)OCO2 33203734 FTZFCHGBVMXNAW-PZBABLGHSA-N 315.394 3.237 0 40 DGAB Cn1/c(=N/C(=O)Cc2ccccc2)sc2cccc(F)c21 100909523 JGGXSPVVPJSISO-VLGSPTGOSA-N 300.358 3.049 0 40 DGAB O=C(CCSc1ccccc1)N1CC[C@@H](OCC2CC2)C1 390831396 ROKQTECQVQNYAN-OAHLLOKOSA-N 305.443 3.196 0 40 DGAB COC(=O)C(C)(C)[C@@H]1CCc2ccccc2N1C(=O)C(C)C 38337858 ZWUSTXYHRHIRAJ-HNNXBMFYSA-N 303.402 3.190 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)cn1 40122108 KTXURAJTNPJATK-UHFFFAOYSA-N 324.428 3.095 0 40 DGAB CCN(CC)c1ccc(CNC(=O)c2ccc(F)cc2F)cn1 40118595 CFZJKDRJCXYSMB-UHFFFAOYSA-N 319.355 3.136 0 40 DGAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O 20795125 UWVVGXVBDCAPMZ-KRWDZBQOSA-N 314.772 3.307 0 40 DGAB COc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 21170659 JUXILUAZVNEEPW-MRXNPFEDSA-N 316.445 3.176 0 40 DGAB CO[C@@H](CNC(=O)CC[C@@H]1CCCO1)c1cccc(Cl)c1 76067404 AFZRPVGBDZJRNH-GJZGRUSLSA-N 311.809 3.103 0 40 DGAB CCCC[C@@H](S[C@](CC)(C(=O)O)c1ccccc1)C(N)=O 1751956 MYKPUUTZCNZZPJ-CJNGLKHVSA-N 309.431 3.154 0 40 DGAB O=C(c1cn2ccccc2n1)N(C[C@@H]1CCOC1)c1ccccc1 78584700 WAWPYRPTIAKXDN-HNNXBMFYSA-N 321.380 3.018 0 40 DGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@H]1Cc2ccccc2O1 32845000 TYABCBNZAUHRDT-QGZVFWFLSA-N 317.348 3.086 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccc(C)s2)c1C 3587629 GBMQHPJMBJMBTO-UHFFFAOYSA-N 319.382 3.244 0 40 DGAB O=c1cc(O)c2sc(SC/C=C/c3ccccc3)nc2[nH]1 4945724 SWMVVHUELQZUQP-QPJJXVBHSA-N 316.407 3.496 0 40 DGAB CCOc1ccc(CN(C)S(=O)(=O)c2ccc(C)cc2)cc1 7215296 JKDAFTQPPBJPJD-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB CCn1c(SCC(=O)Nc2nccs2)nc2ccccc21 417159 XKHGEJCLKDQFMW-UHFFFAOYSA-N 318.427 3.244 0 40 DGAB COc1cccc(C(=O)N2CCN([C@H]3CCC[C@H](C)C3)CC2)c1 783083 IPVDLPHKSIXDEZ-RDJZCZTQSA-N 316.445 3.032 0 40 DGAB O=C(NCCCn1ccnc1)c1ccc(Oc2ccccc2)cc1 12564965 KPJBKALUUULFJO-UHFFFAOYSA-N 321.380 3.496 0 40 DGAB Cc1ccc(CNC(=O)NCCCCN2CCC[C@H](C)C2)cc1 43050211 LUURZCTZINWKSM-KRWDZBQOSA-N 317.477 3.306 0 40 DGAB O=C1COc2ccc(C(=O)Nc3cccc4c3CCCC4)cc2N1 24925944 GHQZYRRTYPOJBS-UHFFFAOYSA-N 322.364 3.149 0 40 DGAB CN(C)c1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 12636443 HREUEANJTCBJKD-UHFFFAOYSA-N 318.380 3.462 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCCO1 26401354 AHTCBYUTCACEDS-DGCLKSJQSA-N 319.430 3.005 0 40 DGAB O=C(NCCCc1ccccc1)c1cncc(Br)c1 3347006 WRPPGZUVFVDLQB-UHFFFAOYSA-N 319.202 3.207 0 40 DGAB COc1cc(/C=C/C(=O)Nc2ccnc(Cl)c2)cc(OC)c1 58289975 IIQVQIVELXVIBW-ONEGZZNKSA-N 318.760 3.404 0 40 DGAB Cc1ccc(C(=O)NCCc2nc(-c3ccccc3)oc2C)cn1 58329031 COLDYLVEINLEDS-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB CCOC1CCN(C(=O)c2[nH]c3ccccc3c2Cl)CC1 58357731 FVVINYJKSYEHCZ-UHFFFAOYSA-N 306.793 3.462 0 40 DGAB O=C(Cn1ccnc1)Nc1cc(Cl)c(Cl)cc1Cl 10809309 VISNFPJKMUEWCD-UHFFFAOYSA-N 304.564 3.482 0 40 DGAB C[C@@]12C[C@H](NC(=O)N1c1ccccc1)c1cc(C(=O)O)ccc1O2 110769448 OLABMJSJFJZDLF-KBXCAEBGSA-N 324.336 3.154 0 40 DGAB C[C@@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 12945587 TVDNNBUOBUZMJY-IAQYHMDHSA-N 315.804 3.339 0 40 DGAB O=C(OCc1ccccc1)N1CCC[C@@H]1/C=C/CN1CCCC1 12960038 RXWDJXRBIRGVLN-OPUMOTSWSA-N 314.429 3.440 0 40 DGAB CC(=O)c1ccccc1OCCOc1ccc2ccc(=O)oc2c1 13007402 NIDUYGJVRWMIBU-UHFFFAOYSA-N 324.332 3.453 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cc3c(C)nn(C)c3s2)cc1 8728920 VUPIFYAEOZQNTL-UHFFFAOYSA-N 313.382 3.398 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 13260695 JGLFDGUKDKEHPW-CYBMUJFWSA-N 315.394 3.352 0 40 DGAB C[C@H](OC(=O)c1cccc(N)c1)C(=O)Nc1ccccc1Cl 69772377 UGEBDIQLJTYPBZ-JTQLQIEISA-N 318.760 3.106 0 40 DGAB COc1cccc(CC(=O)Nc2ccc(CN3CCCC3)cc2)c1 14168436 QCJJOVYMAOTCMG-UHFFFAOYSA-N 324.424 3.472 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14110065 VIBMJMDRVWQJME-GXSJLCMTSA-N 316.382 3.176 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)c2ccccc2)c1C 6654107 WDEDLSZYFBGIIM-ZDUSSCGKSA-N 314.385 3.126 0 40 DGAB c1cc(CN2CCC(OC3CCCC3)CC2)c2c(c1)OCO2 92758687 XZQIEHIXIIYRAR-UHFFFAOYSA-N 303.402 3.339 0 40 DGAB COc1ccc(C(=S)NCc2ccccc2C)cc1OC 408577173 ROINCYLIDNMWTJ-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB COc1ccc([C@H](NC(=O)CC(F)(F)F)C(F)(F)F)cc1 96002299 ROBBCMNCBDFEQE-JTQLQIEISA-N 315.213 3.367 0 40 DGAB Cc1ccc2cccc(NC(=O)Cc3ccccc3C(=O)O)c2n1 71284590 YANRCZRPBUYCJT-UHFFFAOYSA-N 320.348 3.423 0 40 DGAB CCO[C@H](C)c1nc(CN2C(=O)c3ccccc3C2=O)cs1 72292671 KNSKZJWHTOKYDA-SNVBAGLBSA-N 316.382 3.037 0 40 DGAB O=c1[nH]c2ccc(-c3csc(NCc4ccco4)n3)cc2o1 7736639 FEZOISQGIHQIEV-UHFFFAOYSA-N 313.338 3.450 0 40 DGAB CCn1cnnc1C1CCN(C(=O)CCC2CCCCC2)CC1 68487840 MOOJMGWFQIHQGS-UHFFFAOYSA-N 318.465 3.365 0 40 DGAB CCOC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12 9482671 SMRVMDQVVINODB-UHFFFAOYSA-N 308.337 3.337 0 40 DGAB COc1ccc(NC(=O)CN(C)C(=O)CC2CCCCC2)cc1 23074743 FPXATUAOWJIWGJ-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)[C@H](c2ccccc2)CO1 96433385 XANSTMYTUVWILP-DOMZBBRYSA-N 316.788 3.337 0 40 DGAB CC(C)(C(=O)Nc1cnn(CC(F)F)c1)c1ccc(F)cc1 71909798 NOUXXEBLVNXZSH-UHFFFAOYSA-N 311.307 3.204 0 40 DGAB COCc1c(Br)cccc1NC(=O)N1CCCC1 72063964 LEYFAYBQJUXYLZ-UHFFFAOYSA-N 313.195 3.223 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)NCC[C@H]1CCCO1 84028857 KHGMTJIXNPAAAC-MRXNPFEDSA-N 310.397 3.356 0 40 DGAB c1cncc([C@H]2C[C@@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 95394474 ROXLDVGNSVUNAQ-OLZOCXBDSA-N 307.309 3.131 0 40 DGAB CN(C(=O)N[C@H]1CCC[C@@H](C2CC2)C1)C1CCC(CO)CC1 95430525 LLENNUNRKHWPRK-YTWPKEEVSA-N 308.466 3.148 0 40 DGAB Ic1ccc(COc2ccccn2)cc1 95403413 FVSNADWASLITHS-UHFFFAOYSA-N 311.122 3.265 0 40 DGAB COC(=O)[C@@H]1CCN(Cc2nccn2C(C)C)c2ccccc21 95976185 PTCVLXXCCJOGFY-OAHLLOKOSA-N 313.401 3.131 0 40 DGAB Cc1occc1C(=O)Nc1cc(N2CCNC2=O)ccc1Cl 75137329 KJMDLTFNCONFJI-UHFFFAOYSA-N 319.748 3.023 0 40 DGAB C[C@H]1CN(Cc2cccc(NCc3cscn3)c2)C[C@@H](C)O1 89936703 NJUFFMOQJLMUHR-OKILXGFUSA-N 317.458 3.364 0 40 DGAB Cc1cc(-c2nnc(NC(=O)NCc3cccs3)o2)c(C)o1 56907317 VCBLMJLINOUZCB-UHFFFAOYSA-N 318.358 3.330 0 40 DGAB CC(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 72383530 LOYZYAHSTTXDSZ-OAHLLOKOSA-N 311.385 3.222 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@@H]2CC=CCC2)o1 184957261 NAUCIQHJUMXZBM-HIFRSBDPSA-N 304.390 3.381 0 40 DGAB Cc1cc(N2CCCCC2)ncc1CNC(=O)OC(C)(C)C 72223494 HOLYCEWXZKDDHE-UHFFFAOYSA-N 305.422 3.405 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 30755021 WVSBJCIGRDUZQB-MRXNPFEDSA-N 305.324 3.439 0 40 DGAB Fc1ccc(CN2CC(c3nc(Cc4ccccc4)no3)C2)cc1 75156418 IGTHASKCKIAIIN-UHFFFAOYSA-N 323.371 3.399 0 40 DGAB Cn1ccc2c(C(=O)Nc3c[nH]nc3-c3nccs3)cccc21 562572402 NUMLFIHVWGYIIJ-UHFFFAOYSA-N 323.381 3.277 0 40 DGAB Cc1ccccc1COc1ccc(Br)cc1C(N)=O 226319143 RYUQDLWFLJFJHT-UHFFFAOYSA-N 320.186 3.435 0 40 DGAB COC(=O)c1cccc(NC(=S)NC2(C3CC3)CCCC2)c1 225863002 QTMBSLLHXGNBBL-UHFFFAOYSA-N 318.442 3.482 0 40 DGAB Cc1cccc(COC(=O)c2snnc2-c2cccnc2)c1 223852482 AEHROTONQVAADL-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB CC(C)Oc1cccc(CNC(=S)Nc2cccnc2)c1 225525259 UVKKXWVKOLCDAB-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB Cc1nc(NC(=S)NC2CC2)c(Br)cc1Cl 224029502 CLXSRXWBEQOKNT-UHFFFAOYSA-N 320.643 3.255 0 40 DGAB CCc1oc2ccccc2c1CC(=O)N[C@H]1COCC1(C)C 529464572 RHZYTZYTPMOWTK-INIZCTEOSA-N 301.386 3.079 0 40 DGAB CNC(=O)c1ccc(OC)c(NCc2ccc(Cl)s2)c1 96453361 LYOGUNDEFACSSA-UHFFFAOYSA-N 310.806 3.382 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCCc1ccccc1 97074606 HSYNXCKKUUUCSO-MRXNPFEDSA-N 301.361 3.342 0 40 DGAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2cn(C)nc2C)o1 96433205 PXZRQCLTNPYVHO-IAQYHMDHSA-N 301.390 3.243 0 40 DGAB CC[C@H](C)Oc1cc(C(=O)N[C@H](C)c2c(C)noc2C)ccn1 97231477 FLEDSSRCAMJTGE-WDEREUQCSA-N 317.389 3.355 0 40 DGAB CCOC(OCC)c1cc(=O)[nH]c(SCc2ccccc2)n1 91696026 OJOARARGXCDSSX-UHFFFAOYSA-N 320.414 3.134 0 40 DGAB COC(C)(C)CNC(=O)Nc1cc(F)ccc1Br 95411795 HASJBDNIMJFTDU-UHFFFAOYSA-N 319.174 3.135 0 40 DGAB Cc1cnc(CNC(=O)NCC[C@H](C)c2ccccc2)s1 96439652 BIPLCZNEACUEGT-LBPRGKRZSA-N 303.431 3.445 0 40 DGAB CCCn1ccc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)n1 257279959 OIXCDUPXRUECQY-ZDUSSCGKSA-N 318.446 3.078 0 40 DGAB O=C(c1ccccc1)N1Cc2nccn2C[C@H]1c1ccccc1 257201373 AHLMCMFSBIHQGJ-KRWDZBQOSA-N 303.365 3.280 0 40 DGAB Cc1ccc(-c2ccc(C(=O)Nc3ccn(C)n3)c(C)n2)cc1 257173575 RCMWZTKAGJWZHM-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB CCCNCc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)no1 585086325 AEVCRBBSKGRSNQ-UHFFFAOYSA-N 323.437 3.289 0 40 DGAB CCn1nccc1-c1cc(C)nc(C2CCN(C(C)C)CC2)n1 257303811 SIUULTORTIOPSY-UHFFFAOYSA-N 313.449 3.256 0 40 DGAB CC(C)N1CCC(c2cccc(N3C[C@@H](C)OC3=O)n2)CC1 257223847 DZEOIJKPRDIARC-CYBMUJFWSA-N 303.406 3.015 0 40 DGAB CC(C)c1ncc(C(=O)Nc2cccc(CC(=O)O)c2)s1 263014930 XHIVRVSUNXXBDW-UHFFFAOYSA-N 304.371 3.146 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3ccsc3)C[C@H]21 585110006 NRGSKTFYYAFSTL-OCCSQVGLSA-N 313.426 3.073 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccccc1OC)CC2 585103292 AQUVBJLOGVHGCW-QGZVFWFLSA-N 319.445 3.103 0 40 DGAB CN1CCN(C(=O)CCCc2ccccc2)C2(CCCC2)C1 85472724 DCUBXBKUXJSCRT-UHFFFAOYSA-N 300.446 3.096 0 40 DGAB Cc1ccccc1N1CCN(c2nnc(C(C)C)s2)CC1 301724434 LNTWCOYFSBHROJ-UHFFFAOYSA-N 302.447 3.297 0 40 DGAB CCc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCC[C@@H]1C(=O)O 5471531 LFYMXNFTDYJBDH-HOTGVXAUSA-N 315.413 3.419 0 40 DGAB CN(C)CCN(C)C(=O)[C@H](c1ccccc1)C1CCCCC1 5599685 MQXDQFOZJJEPAG-GOSISDBHSA-N 302.462 3.371 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2C)c(C)c1 13169982 RVGAOMCVCGBJKS-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1ccc2c(c1)OCO2 14483498 IJUKFTGBKQJNQC-LLVKDONJSA-N 317.772 3.489 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 14830609 CGAMSEQGGDMLGV-RUDMXATFSA-N 314.772 3.399 0 40 DGAB O=C1CSC2=N[C@H](c3ccccc3)C(c3ccccc3)=NN12 5604243 KJQNDYGNEQIZIJ-OAHLLOKOSA-N 307.378 3.077 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](Nc2cc(C)ccc2C)C1=O 7212447 NXKNALRAZJXCJI-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB CSc1ccc([C@H](C)NS(=O)(=O)c2ccccc2)cc1 20029848 VGUYUXULDHOUIJ-LBPRGKRZSA-N 307.440 3.448 0 40 DGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2Cc2ccccc2)[C@@H]1CNC1CCC1 1775963940 KTMHZSLODZQFFH-WQANXHIZSA-N 312.457 3.202 0 40 DGAB biogenic,in-vitro CCOCc1cncc2c1CCN(C(=O)[C@]1(C)CC=CCC1)C2 1565553081 JJYJPMAQRRPLGL-LJQANCHMSA-N 314.429 3.249 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1ccccc1 4348273 YSIAQNZRBLTRIA-UHFFFAOYSA-N 312.350 3.320 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1CC=CCC1 40089466 UDJKTLBRSBDHJP-CQSZACIVSA-N 300.402 3.376 0 40 DGAB COc1ccccc1C(=O)n1c(=S)nc2ccc(Cl)cn21 94702 JYKTWBAZTMENCH-UHFFFAOYSA-N 319.773 3.216 0 40 DGAB CCc1cccc(NC(=O)c2ccc(N3CCOC3=O)cc2)c1 40523332 BWUACNSOHMQINM-UHFFFAOYSA-N 310.353 3.458 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)N3CCCC3)cc2F)C[C@@H](C)O1 40541405 FIMJWYAHZVLWSM-BETUJISGSA-N 321.396 3.067 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 40516103 IBLNDFSOCJLKRC-QWHCGFSZSA-N 307.438 3.385 0 40 DGAB COc1cccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)c1 100965133 CUVVZTRKGSZINL-KRWDZBQOSA-N 319.368 3.046 0 40 DGAB Nc1ccccc1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 40817564 PXFABYFRMYPRJP-CYBMUJFWSA-N 320.396 3.165 0 40 DGAB Cn1c2ccccc2c2cc([C@H]3N[C@@H](C(=O)O)CS3)ccc21 205069 ADSFHNHOOIYLNE-CJNGLKHVSA-N 312.394 3.120 0 40 DGAB CCCC[C@@H](S[C@@](CC)(C(=O)O)c1ccccc1)C(N)=O 1751960 MYKPUUTZCNZZPJ-CZUORRHYSA-N 309.431 3.154 0 40 DGAB Cc1cccc(C)c1OCCCN1CCCC[C@H]1C1OCCO1 78674140 WYZJIDHTMBAFQK-KRWDZBQOSA-N 319.445 3.300 0 40 DGAB CC1CCN(c2ccc(C(=O)N[C@H](C)c3cccnc3)cn2)CC1 78737054 UTCZTRMKSSSLBC-OAHLLOKOSA-N 324.428 3.204 0 40 DGAB Cc1cccc(C)c1OCCNC(=O)[C@]1(C)CC1(Cl)Cl 32931329 CNVUCSFCAVTEHA-AWEZNQCLSA-N 316.228 3.382 0 40 DGAB CC(=O)N1C[C@H](c2ccc(Cl)cc2)C(C(=O)c2ccco2)=N1 4783798 VGLUFVAAHAOLKT-CYBMUJFWSA-N 316.744 3.118 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1-c1cccc(C)c1 422134 GJFMXDRYDYUPJG-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB CCc1cc(=O)[nH]c(SCCOc2ccccc2Cl)n1 4945286 HDRIJOFFCWMRNT-UHFFFAOYSA-N 310.806 3.157 0 40 DGAB Cc1nc(-c2ccccc2)c(C(=O)NCCc2ccccn2)s1 22698651 KOHIGBRDRTZDHY-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CC(=O)c1ccc(OCc2ccc(C(=O)N3CCCC3)o2)cc1 28234872 FFWSUECAGJJLRC-UHFFFAOYSA-N 313.353 3.297 0 40 DGAB COCCN(C(=O)c1occc1C)c1nc2ccccc2s1 23042401 ZXXXZFNSIILRPH-UHFFFAOYSA-N 316.382 3.491 0 40 DGAB C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)c1ccc(F)cc1 23524254 GBVRJCYLXRROSK-SNVBAGLBSA-N 302.305 3.234 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)C=C(C1CC1)C1CC1)OCO2 54916695 XBRFWVPQQJOOQA-UHFFFAOYSA-N 313.353 3.303 0 40 DGAB CN(Cc1nc[nH]n1)c1ncnc2scc(-c3ccccc3)c12 72293275 ZBZXKGDUJJKJQJ-UHFFFAOYSA-N 322.397 3.113 0 40 DGAB COc1cc([C@H](O)C(F)(F)F)c(OC)cc1Br 134273552 QXNSMQKKIRNMAQ-VIFPVBQESA-N 315.085 3.062 0 40 DGAB Cc1ccc(CN2C[C@H]3CC[C@H]2[C@H]3Oc2ccccn2)s1 107266057 QKKOAOYUCXFROE-KMFMINBZSA-N 300.427 3.493 0 40 DGAB COCc1ccccc1CNC(=O)N(C)Cc1ccccc1C 26390669 AXWDRZYORZGLHJ-UHFFFAOYSA-N 312.413 3.483 0 40 DGAB O=C(NCCc1ccccn1)c1csc(Cc2ccccc2)n1 44918320 HZJNWVCUOIOARW-UHFFFAOYSA-N 323.421 3.101 0 40 DGAB CC(=O)Nc1cc(C(=O)NCCSC2CCCC2)ccc1C 44942813 CBIMASXZTOFHLB-UHFFFAOYSA-N 320.458 3.359 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1c1ccsc1 44943585 BTECJVQHYOIMRK-HNNXBMFYSA-N 324.409 3.306 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@H](c2nnc3ccccn23)C1 11009004 KGKADZYKHZKPEJ-AWEZNQCLSA-N 321.384 3.141 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cc2ccccc2oc1=O 11750074 FQVGDOLHWKUTJN-UHFFFAOYSA-N 319.360 3.255 0 40 DGAB O=C(OCCn1cncn1)c1ccc(-c2ccccc2Cl)o1 62678665 SONYDSAYHNAPTH-UHFFFAOYSA-N 317.732 3.049 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@H](N)c2ccc(F)cc2)CC1 71664296 JBCLRJCZCCDPHU-OAHLLOKOSA-N 308.397 3.473 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)/C=C/c2ccccc2)[C@@H]1C 6054075 PVLSEVPNNDPNPH-BCJLHILGSA-N 315.413 3.184 0 40 DGAB CCCc1cc(=O)[nH]c(SCCOc2ccc(C)cc2)n1 5009486 OUYMDVYKVTZPSA-UHFFFAOYSA-N 304.415 3.202 0 40 DGAB Cc1cc(C(=O)N(C)[C@H](C)c2nc3ccccc3s2)on1 39517243 BTAMTHIMYDOTLX-SNVBAGLBSA-N 301.371 3.426 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCCCC[C@H]1c1cccn1C 65402266 UDWUTRGWFCPXTA-KRWDZBQOSA-N 315.417 3.316 0 40 DGAB CCOc1cccc([C@@H](C)NC(=O)N(C)Cc2cc(C)on2)c1 65576572 DEHILIMHSYCLGG-CYBMUJFWSA-N 317.389 3.284 0 40 DGAB Cc1ccc(C)c(-c2csc(NC(=O)C3=COCCO3)n2)c1 6473377 GXBVBHMMTLCIDT-UHFFFAOYSA-N 316.382 3.254 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1cccc(F)c1 14182311 DWPXDBCIPRNAMM-CYBMUJFWSA-N 324.359 3.240 0 40 DGAB CC(=O)NCCc1ccc(C(=O)c2cc3ccccc3o2)cc1 14198352 NHXNNFFOXYECEL-UHFFFAOYSA-N 307.349 3.342 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72283082 NCNCNIUQZQUPFB-WBVHZDCISA-N 309.413 3.236 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)c2ccccc2)c1C 6654104 WDEDLSZYFBGIIM-CYBMUJFWSA-N 314.385 3.126 0 40 DGAB COC(=O)Nc1cc(NC(=O)COc2ccccc2)ccc1F 66489665 GYKATPYOURWWQX-UHFFFAOYSA-N 318.304 3.022 0 40 DGAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1Cl 16046627 YYCPDSQQMBCXON-MRVPVSSYSA-N 311.168 3.173 0 40 DGAB Brc1cncnc1N[C@@H]1CCOc2ccccc21 90781113 WHWDFPGTUBZOSQ-LLVKDONJSA-N 306.163 3.175 0 40 DGAB COc1cc(NC(=O)Cc2ccc(OC)c(F)c2)cc(OC)c1 7919993 GLCYNVHTZRPLTI-UHFFFAOYSA-N 319.332 3.033 0 40 DGAB CN(C(=O)C1CCCCC1)C1CCN(c2ccccn2)CC1 69508288 XLQQTSSILGABLZ-UHFFFAOYSA-N 301.434 3.089 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C[C@@H](C)O1 17326231 HFTWSDKGAWZSBD-TXEJJXNPSA-N 303.333 3.335 0 40 DGAB FC(F)(F)c1nnc2sc(-c3cc4ccccc4[nH]3)nn12 9548075 NGUFSZISVHTUGY-UHFFFAOYSA-N 309.276 3.353 0 40 DGAB CCc1sc2nc(NCc3ccco3)n3ncnc3c2c1C 9575521 XJOGYTXHJKGEQK-UHFFFAOYSA-N 313.386 3.415 0 40 DGAB Cc1nc(CN[C@H](C)c2cccc(N3CCCC3=O)c2)cs1 71831343 WXEGALWEYNYLFF-GFCCVEGCSA-N 315.442 3.429 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)CCc2ccsc2)C1 71870673 RNVCJZUMAACNCM-OAHLLOKOSA-N 317.458 3.303 0 40 DGAB COc1ccc(-c2nc(C(=O)N3CCC3(C)C)cs2)cc1 71916630 KJBXPLDYTNPENO-UHFFFAOYSA-N 302.399 3.443 0 40 DGAB NC(=O)c1coc(-c2csc(Cc3ccccc3F)n2)c1 95398051 FILRXSRSXBHPJV-UHFFFAOYSA-N 302.330 3.232 0 40 DGAB COc1cccc(/C(C)=C/C(=O)NC2(CCO)CCCCC2)c1 95997282 JBWWNMVMRCHPTJ-FYWRMAATSA-N 317.429 3.300 0 40 DGAB Cc1nnc2sc(-c3nc(CC(C)C)no3)c(N)c2c1C 95946036 LNVVNORUJZHKCO-UHFFFAOYSA-N 303.391 3.139 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)c(=O)[nH]1 75120124 KQCOYYBTRVZBLC-AWEZNQCLSA-N 314.385 3.028 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 75143222 GVHLKOWQSAITOY-KBXCAEBGSA-N 315.461 3.059 0 40 DGAB O=C(NCCc1ccc(O)cc1)[C@@H]1CCCC[C@@H]1C(F)(F)F 89787461 WJYMZNNYQKIESV-KGLIPLIRSA-N 315.335 3.420 0 40 DGAB O=C(N1C[C@@H]2CC=CC[C@H]2C1)C1(c2ccccc2)CCOCC1 89827741 HZEYBBZXQZPTAK-IRXDYDNUSA-N 311.425 3.159 0 40 DGAB Cc1cc(C(F)(F)F)nc(NCCCn2nc(C)cc2C)n1 36613286 RYPCCFWBDKGRRP-UHFFFAOYSA-N 313.327 3.119 0 40 DGAB C[C@@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 72203918 WGIOAFJQUPMPKY-KGLIPLIRSA-N 305.422 3.084 0 40 DGAB CN(Cc1ccc(Br)nc1)C(=O)OC(C)(C)C 218264235 LMJNLRUWIMVABM-UHFFFAOYSA-N 301.184 3.211 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cnc(C)s1 78317777 IOBFMESIXAFFKB-CHWSQXEVSA-N 313.492 3.315 0 40 DGAB Clc1cnc(CN2C[C@@H]3CN(c4ccccc4)C[C@H]3C2)s1 521393970 QMHYQQALIJJLDP-CHWSQXEVSA-N 319.861 3.365 0 40 DGAB CCn1cc(C2CCN(Cc3ccsc3C(=O)O)CC2)cn1 565838831 SFCCLEWRCJOUMW-UHFFFAOYSA-N 319.430 3.042 0 40 DGAB COc1cccc(C[C@@H]2CCCN2CCc2cscn2)c1 562528965 YIFWBDFISOVHGD-INIZCTEOSA-N 302.443 3.401 0 40 DGAB CC(C)N(C(C)C)S(=O)(=O)c1cccc(Br)c1 84847586 FUCVNEBUKOGLDN-UHFFFAOYSA-N 320.252 3.257 0 40 DGAB O=S(=O)(Oc1ccccn1)c1ccc(Cl)c(Cl)c1 41095772 CUJVNHPUDGWWHI-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CC 222750946 LQTDGKHTXDGRQX-HNNXBMFYSA-N 304.434 3.120 0 40 DGAB Cc1ccccc1OCCNC(=O)[C@@H](C)Oc1ccccc1C 224414153 BPXLENMHBLTCPG-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CC1CCN(C(=O)c2c(-c3ccccc3)noc2[C@H](C)O)CC1 514288323 WLQVWOUCWWJSAC-ZDUSSCGKSA-N 314.385 3.267 0 40 DGAB biogenic,in-vitro Oc1ccc(-n2cnnc2)cc1-c1nc2cc(Cl)ccc2o1 45920632 YDGQNPFHIIKMPB-UHFFFAOYSA-N 312.716 3.435 0 40 DGAB Cc1ncoc1C(=O)N1CCCC[C@H]1c1nc2ccccc2o1 330033290 VKYMCCJHMCRPLL-ZDUSSCGKSA-N 311.341 3.492 0 40 DGAB CCOC[C@@H]1CCN(C(=O)Nc2ccc(Cl)c(OC)c2)C1 194437930 MXRKRIYDVBQPHN-LLVKDONJSA-N 312.797 3.239 0 40 DGAB c1ccc(-c2nc([C@@H]3COCCN3c3ncccn3)cs2)cc1 96220557 PUOCSNURJGCJDL-HNNXBMFYSA-N 324.409 3.178 0 40 DGAB COc1ccc(C)c(NC(=O)NCCCn2nc(C)cc2C)c1 96468767 AGRFOALHEXIBOG-UHFFFAOYSA-N 316.405 3.029 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)NCc2ccc(Cl)nc2)C1 96439133 YPKMUVKSYXJIGT-NEPJUHHUSA-N 313.854 3.208 0 40 DGAB CCOc1cccc2c1CC[C@@H]2NC(=O)[C@H]1CCC(=O)C[C@@H]1C 95449320 LPQJPWMHJZXBBJ-JDFRZJQESA-N 315.413 3.194 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)CSc1ccncc1 96445048 ASTGVFUEIVBGED-MRXNPFEDSA-N 315.442 3.266 0 40 DGAB CC(C)(C)OC(=O)NCC1(c2cccc(Cl)c2)CCNCC1 98213747 JDHYSTKZEGAESE-UHFFFAOYSA-N 324.852 3.486 0 40 DGAB O=C(Cc1cccs1)N1CCC(Cc2ccncc2)CC1 257310548 UFOKFMHHIHTSHQ-UHFFFAOYSA-N 300.427 3.167 0 40 DGAB CC(C)CO[C@H](C)C(=O)NCc1cccc(-c2cnco2)c1 585130085 HEAZZGMHRWUJMW-CYBMUJFWSA-N 302.374 3.019 0 40 DGAB COc1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1Cl 260773063 ZCLZVGMPFVEHRF-ZDUSSCGKSA-N 324.852 3.200 0 40 DGAB CCCNC(=O)[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 51584346 WVJDKBKQFHGEKN-HNNXBMFYSA-N 317.433 3.019 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(F)cc2Cl)cn1 71797011 RMHUELSEXOWITM-AWEZNQCLSA-N 307.756 3.190 0 40 DGAB Cc1cccnc1NCc1c(C)nn(C)c1Oc1cccnc1 97115573 BIAZYEQTBAQDRL-UHFFFAOYSA-N 309.373 3.231 0 40 DGAB CCOc1ccc(C(=O)c2cc3cccc(OC)c3oc2=O)cc1 952962471 ANFRRMQSNVYDBX-UHFFFAOYSA-N 324.332 3.431 0 40 DGAB COc1ccc(NC(=O)c2ccccc2)cc1N1CCCC1=O 5440949 HQWSIDWHNYWHLF-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB Cc1noc2nc(-c3ccc(F)cc3)cc(C(=O)NC3CC3)c12 12795595 CKLAHRILFUXKHS-UHFFFAOYSA-N 311.316 3.230 0 40 DGAB Cc1sc(NC(=S)Nc2ccc(F)cc2)c(C(N)=O)c1C 13554787 JOOGTKXESXSLHK-UHFFFAOYSA-N 323.418 3.412 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2nc(C)c3cc(CC)ccc3n2)n1 14608236 UMZBMTJLTFLHKA-UHFFFAOYSA-N 323.400 3.280 0 40 DGAB CCc1nc2nc(-c3ccccc3)cc(-c3cccnc3)n2n1 19960942 SJCYBLBMWAOVRE-UHFFFAOYSA-N 301.353 3.416 0 40 DGAB COCc1ccc(NC(=O)Nc2ccc([S@@](C)=O)cc2)cc1 193602381 LWRYDZPFNIYBTL-JOCHJYFZSA-N 318.398 3.214 0 40 DGAB N=C1c2ccccc2CN1NC(=O)c1cccc2ccccc12 5206353 KGSFTODSEBHCJX-UHFFFAOYSA-N 301.349 3.326 0 40 DGAB C[C@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)n1cccn1 28500517 JUOFNJLDZYDMPY-MFKMUULPSA-N 321.833 3.451 0 40 DGAB COc1cccc(CN2CCC[C@H](COc3ccncc3)C2)c1 1776001481 WAUQTRJXJOHKOO-KRWDZBQOSA-N 312.413 3.381 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccc(F)cc1 4348313 MUYLCRHCLYKRNQ-UHFFFAOYSA-N 316.313 3.416 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCc1cc(-c2ccco2)on1 22768545 XZPJQVPIWBIEOB-GFCCVEGCSA-N 312.325 3.018 0 40 DGAB CC(C)Oc1ccc(C(=O)NCCSC2CCCC2)cn1 40094073 JMLXUTZSMORQRP-UHFFFAOYSA-N 308.447 3.274 0 40 DGAB CC(C)[C@H]1Oc2cc(N)ccc2N(Cc2ccc(F)cc2)C1=O 20276246 MCXDFNOPRFXFKL-QGZVFWFLSA-N 314.360 3.358 0 40 DGAB COc1cc(OC)c(C(=O)Oc2ccccc2C)cc1OC 365281 YINXZKCLWXRSBW-UHFFFAOYSA-N 302.326 3.240 0 40 DGAB Cc1ccc(NC(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1 18174076 MHRYKIZWEJIGTO-CQSZACIVSA-N 321.384 3.458 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CCCN1C(=O)Oc1ccccc1 49448 VUNGPIBABRURPY-INIZCTEOSA-N 316.401 3.099 0 40 DGAB CCOc1ccc(CCC(=O)NCc2ccccc2)cc1OC 11990543 BJOBFSWIBNRTAW-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccc(OC[C@H]2CCCO2)cc1 8160186 HZFWYXIRNUVKJG-OAHLLOKOSA-N 323.348 3.045 0 40 DGAB CCc1noc([C@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 76046835 CURGWYRAWMYFFO-AAEUAGOBSA-N 317.437 3.312 0 40 DGAB O=C(NC1[C@H]2CCC[C@H]1CN(C1CC1)C2)c1ccc(Cl)cc1 1330067 FTVQIRKWWNOSJN-KBPBESRZSA-N 318.848 3.333 0 40 DGAB CNC(=O)CSc1nc(C(C)C)nc2sc(C)c(C)c12 1340383 DXMXNKZDWJDPRX-UHFFFAOYSA-N 309.460 3.270 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(F)c1 78896894 BKRJJVALZOLBCU-IIYDPXPESA-N 304.409 3.123 0 40 DGAB Cc1cc(C(C)(C)C)ccc1OC(=O)c1nc2nccc(C)n2n1 3404092 UYBJMZZBSLJVBL-UHFFFAOYSA-N 324.384 3.258 0 40 DGAB CCCCc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1 6043149 UCFCHNXVMUNHTQ-WTTBNOFXSA-N 313.397 3.491 0 40 DGAB CSc1ccc(NC(=O)[C@H](C)N[C@H](C)c2ccncc2)cc1 97084038 BZIXENADTDHBAX-OLZOCXBDSA-N 315.442 3.481 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@@H]2CC[C@@H]1C2 102897182 MNJSXVUTJGKXPU-RKVPGOIHSA-N 300.446 3.191 0 40 DGAB Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccncc1 525369 AEZZHVGTFCPMAE-UHFFFAOYSA-N 322.397 3.046 0 40 DGAB C[C@@H](C(=O)O)[C@@H](NC(=O)CCc1ccsc1)c1ccccc1 97018273 QFWSUFHDXSPXNA-MLGOLLRUSA-N 317.410 3.259 0 40 DGAB O=C(/C=C/c1cccs1)OC[C@@H]1COc2ccccc2O1 21174349 RXDFTQLPOOVDOB-GUOLPTJISA-N 302.351 3.145 0 40 DGAB COc1cc(OC)c(OC)cc1CN[C@@H](C)c1ccc(C)o1 22793887 AGKUJPJFIAGDBW-LBPRGKRZSA-N 305.374 3.465 0 40 DGAB CCc1noc([C@H](C)N2CCN(c3ccccc3Cl)CC2)n1 42651837 ZBXCKUMGEBHZGL-LBPRGKRZSA-N 320.824 3.169 0 40 DGAB Cn1c([C@@H]2CCCCN2C(=O)c2ccccn2)nc2ccccc21 54666064 ATPVLOOAZQSSRM-KRWDZBQOSA-N 320.396 3.336 0 40 DGAB Cc1nc(NCCCN(C)C)c2c3c(sc2n1)CCCC3 3173568 POJVHWUKAMKLLE-UHFFFAOYSA-N 304.463 3.242 0 40 DGAB C[C@H](NC(=O)NCCc1ccc(Cl)s1)c1ccccn1 43181126 SXJXQUVWYTWGTL-JTQLQIEISA-N 309.822 3.399 0 40 DGAB OCCn1ccc(-c2ccccc2OCc2ccc(F)cc2)n1 1399435 LFMFITOEASTBBM-UHFFFAOYSA-N 312.344 3.261 0 40 DGAB COc1ccc(C(=O)c2sc3nsc(C)c3c2N)cc1 1398265 ZZJXBMNGZABEFK-UHFFFAOYSA-N 304.396 3.488 0 40 DGAB CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@H](O)C[C@]13C[C@@H](CC[C@@H]12)[C@@](C)(O)C3 100145174 MGTDZPRNONHJLG-APSWIZGWSA-N 322.489 3.112 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC(Oc3ccccc3)CC2)s1 55763893 WWBCHHCDKUPYOZ-UHFFFAOYSA-N 316.426 3.444 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 12538830 DXNGMDWXBISYCR-MRXNPFEDSA-N 324.359 3.470 0 40 DGAB CCCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 26937892 QCRKOHAEXNPEFR-SFHVURJKSA-N 324.424 3.464 0 40 DGAB CC(C)CN1C[C@H](C(=O)N2CCC[C@H]2C2CCCCC2)CC1=O 58181188 QGZBDHSWLNYKAK-SJORKVTESA-N 320.477 3.062 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1ccco1 44895298 ZNLYBQWCVDENOY-CQSZACIVSA-N 324.384 3.368 0 40 DGAB CCc1ccsc1C(=O)N1CCC(C(=O)N(CC)CC)CC1 58311184 LPWPBCIGEFTUDN-UHFFFAOYSA-N 322.474 3.031 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@H](C)c2ccccc2)c1 12743516 VQNWXGLXSGQUJS-HUUCEWRRSA-N 311.381 3.418 0 40 DGAB C[C@@H](c1ccccc1Cl)N1CCN(c2ncccn2)CC1 48340675 CMLWZROLVRZVTN-ZDUSSCGKSA-N 302.809 3.013 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1ccccc1F 12995574 FKRJNNYDVUUNTM-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB CCc1nc(CC(=O)N2CCc3sccc3[C@H]2C)cs1 48968517 NHUTVZNGHXGKPO-SNVBAGLBSA-N 306.456 3.455 0 40 DGAB NC(=O)c1cc(Cl)ccc1OCCOc1ccccc1F 6127852 SEMQOEZMDBBKSI-UHFFFAOYSA-N 309.724 3.036 0 40 DGAB COc1ccc(CN2C(=O)C(=O)c3c(Cl)ccc(C)c32)cc1 5354465 CJUZOEMOUPCAJO-UHFFFAOYSA-N 315.756 3.387 0 40 DGAB CCc1cc(=O)oc2c3c(ccc12)OCN(c1cccnc1)C3 5345619 ZPCDAKVFWCXNLM-UHFFFAOYSA-N 308.337 3.107 0 40 DGAB CCn1c(C)cc(C(=O)Nc2ccc(N(C)C(C)=O)cc2)c1C 65921235 VHAKGWRPZPSRCH-UHFFFAOYSA-N 313.401 3.360 0 40 DGAB O=C(c1ccco1)N1CCc2n[nH]c(-c3ccc(F)cc3)c2C1 8744139 DXFOMMSOIKVNEE-UHFFFAOYSA-N 311.316 3.007 0 40 DGAB Cc1csc(-c2cccc(NC(=O)N3CCC[C@H](O)C3)c2)n1 69809179 AAODDHLDHQFUPV-AWEZNQCLSA-N 317.414 3.107 0 40 DGAB CC(=O)Nc1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 7053966 JSGLBMNJCBBJPU-ZHACJKMWSA-N 316.382 3.058 0 40 DGAB CN(C)CCCNC(=O)c1sccc1-c1ccc(F)cc1 69846264 NYBFMRHJRBGREZ-UHFFFAOYSA-N 306.406 3.236 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(COC)cc1 8704101 QTKXEIQVGPFKNK-UHFFFAOYSA-N 313.353 3.262 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1 68251171 ODQNNMYBXSXZBL-KBPBESRZSA-N 322.368 3.181 0 40 DGAB NC(=O)c1c(NC(=O)[C@@H]2CC=CCC2)sc2c1CCCC2 7780553 CCXNJQDGVIYGIY-SNVBAGLBSA-N 304.415 3.021 0 40 DGAB COc1ccc(C(=O)c2cn[nH]c2-c2ccc(C)cc2O)cc1 9271685 GXNIMRIGMDONNI-UHFFFAOYSA-N 308.337 3.330 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(-n2cccc2)c1 9379023 SFCTYFIQUNXCRR-UHFFFAOYSA-N 306.321 3.458 0 40 DGAB CC(=O)Nc1cc(C(=O)CSc2nc(C)cs2)ccc1O 9447926 MWUDUZHYMVCCEE-UHFFFAOYSA-N 322.411 3.091 0 40 DGAB O=C(Nc1cccc(-c2cccs2)c1)N1CCC[C@H](O)C1 71853980 RIVDMOWYQAHOGZ-AWEZNQCLSA-N 302.399 3.404 0 40 DGAB Cc1ccc(C(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)s1 71893571 VFXCWRURJOZTKR-SNVBAGLBSA-N 312.435 3.042 0 40 DGAB CCc1ccc2nc(CC(=O)c3ccc(C)s3)[nH]c(=O)c2c1 83825538 KDIBLXYSWXWUGQ-UHFFFAOYSA-N 312.394 3.281 0 40 DGAB CCC[C@H]1C[C@@H](C(=O)N(C)Cc2cccc(OC)c2)CCO1 96500011 WTWUEWBGXUSYNV-RDJZCZTQSA-N 305.418 3.249 0 40 DGAB CCc1cc2c(=O)[nH]c(CCn3cnc4ccccc43)nc2s1 97164484 OFSGXVWSZHBYKX-UHFFFAOYSA-N 324.409 3.139 0 40 DGAB C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1 71909551 POWYUWMKRVMWIP-YJBOKZPZSA-N 324.428 3.114 0 40 DGAB O=C(c1ccncc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72389455 UZCGFLUWRSGKOZ-MRXNPFEDSA-N 306.369 3.325 0 40 DGAB Cc1nc(C(=O)N2CCC[C@@H](c3nc(C(C)C)cs3)C2)c[nH]1 72300320 XSRUGJQTMCVAFB-GFCCVEGCSA-N 318.446 3.318 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1O)c1cc2ccccc2o1 97227860 AWCQJFZVFDYZNI-UHFFFAOYSA-N 307.302 3.078 0 40 DGAB CCc1cnccc1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O 97231095 XFLYWOIZSOKGRX-UHFFFAOYSA-N 323.396 3.195 0 40 DGAB CSCc1ccccc1NC(=O)NC[C@H]1CCC[C@H](O)C1 97376602 IXCGGJBICISREG-JSGCOSHPSA-N 308.447 3.222 0 40 DGAB CCOc1ccccc1NC(=O)NC1CCC(CN(C)C)CC1 84811025 AQQWAANYNLFHTO-UHFFFAOYSA-N 319.449 3.327 0 40 DGAB OCc1ccncc1NCc1cnn(-c2ccc(Cl)cc2)c1 95978125 QIXICIGVQZWUOS-UHFFFAOYSA-N 314.776 3.025 0 40 DGAB CC(=O)c1ccc(NC(=O)N(CCO)C2CCCCC2)cc1C 95939207 NVEPHMAADGESLV-UHFFFAOYSA-N 318.417 3.357 0 40 DGAB CC(C)Nc1cccc(C(=O)NC[C@H](O)c2cccc(F)c2)c1 75136664 SQGFIZTZUKLYBO-KRWDZBQOSA-N 316.376 3.109 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@H]1C[C@H]2CC[C@H]1O2 110672320 ODSMHPPIJZZFOH-VHSKPIJISA-N 314.154 3.094 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1C 28829173 JEMJANCKJKRWDU-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CCONC(=O)COc1cc2sc(C)nc2c2sccc12 43115636 OLQNKPOPBZYTSE-UHFFFAOYSA-N 322.411 3.266 0 40 DGAB O=C(NC1(C(=O)O)CCCCC1)c1ccccc1C(F)(F)F 60796796 IEUCMAJRCLDCFH-UHFFFAOYSA-N 315.291 3.223 0 40 DGAB CC(C)c1ccc(CCC(=O)N2CCN3CCC[C@@H]3C2)cc1 36614028 VQTMZYPGFBMIJF-GOSISDBHSA-N 300.446 3.049 0 40 DGAB COc1ccc2[nH]cc(C(=O)CN3CCc4ccccc4C3)c2c1 36369526 PWIIWVQEQRCGTO-UHFFFAOYSA-N 320.392 3.418 0 40 DGAB biogenic O=C(NCc1ccccc1F)C1(c2ccccc2)CCOCC1 32672716 KHZIJDRPQBFAEB-UHFFFAOYSA-N 313.372 3.190 0 40 DGAB C[C@@H](CNc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 37076915 NWUIDMYZDXILOF-ZDUSSCGKSA-N 304.415 3.274 0 40 DGAB CCCc1nc(CNC2(c3noc(C)n3)CCCC2)cs1 79354071 PCJMUKJDCKTVFO-UHFFFAOYSA-N 306.435 3.346 0 40 DGAB Cc1ccc(F)cc1NC(=S)Nc1cccc(C(N)=O)c1 71761579 JGQCQNYHUDQTCO-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB C[C@@H](NC(=O)CCc1ccncc1)c1cccc(-n2cccn2)c1 74037625 ZGRUQJUFSZSNGM-OAHLLOKOSA-N 320.396 3.077 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c(C)c1 78403842 LKFZFHSHVRPGGU-ZDUSSCGKSA-N 316.426 3.461 0 40 DGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN2C(C)C)n1 72384622 DYDIWCLOCCTALO-CYBMUJFWSA-N 303.435 3.449 0 40 DGAB CCN1CCC[C@@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 72383490 GYPPDBIYWZRAKB-GFCCVEGCSA-N 303.435 3.450 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)N[C@@H](C)CC 225525178 IXGAKHWIWZPOQC-DOTOQJQBSA-N 318.461 3.427 0 40 DGAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1C1CCCC1 225006099 CEYGYERERDSESJ-HOTGVXAUSA-N 312.442 3.325 0 40 DGAB Cc1ccccc1OCCN1C(=O)C(=O)c2c(C)ccc(C)c21 40487567 WFORCKOXQSLNDG-UHFFFAOYSA-N 309.365 3.220 0 40 DGAB C[C@@H]1CCC[C@@H]1NCc1cccc(C(=O)NCc2ccco2)c1 88684250 SEDNOVDHTBWYSY-KDOFPFPSSA-N 312.413 3.488 0 40 DGAB COc1cccc(C(=O)c2c(F)c(F)c(F)c(F)c2F)n1 45028778 WAMHCHYPQCDMMU-UHFFFAOYSA-N 303.186 3.017 0 40 DGAB COc1ccc2cc(S(=O)(=O)NCCC(C)C)ccc2c1 225513452 LUXYBNFZTRGUTL-UHFFFAOYSA-N 307.415 3.173 0 40 DGAB OCc1cc(CNc2ccc(C(F)(F)F)cn2)ccc1F 195578648 MXSOASKEGUHGNM-UHFFFAOYSA-N 300.255 3.344 0 40 DGAB CC(C)[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1cccc1 575443948 BLQHLFGZKKTLEZ-HNNXBMFYSA-N 309.373 3.109 0 40 DGAB COc1ccc([C@@H](C)NC(=O)Cc2ccc(OC)c(C)c2)cc1 223352596 MVUBWHNZILYMQM-CQSZACIVSA-N 313.397 3.432 0 40 DGAB Cc1nc([C@H]2C[C@@H]3CCN(Cc4ccc(C)s4)C[C@H]3O2)no1 96046183 INKOXPGXYSATOI-NWANDNLSSA-N 319.430 3.100 0 40 DGAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 96044895 ZBRDGFHTCPDGHE-OAHLLOKOSA-N 317.458 3.008 0 40 DGAB CSCc1cccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@H]3C2(C)C)c1 245289702 DNLWUFGFVIYDLE-RRFJBIMHSA-N 320.458 3.485 0 40 DGAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2ccc(C(=O)O)cc2)c1 257314042 UVCVJNOWSXPXKM-QGZVFWFLSA-N 310.353 3.130 0 40 DGAB CCOC[C@@H]1CN(Cc2ccc3ccccc3n2)Cc2cncn21 253385660 UEEAQDJJKLYTTB-SFHVURJKSA-N 322.412 3.025 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H](Cc3ccccn3)C2)on1 257337391 YSPNNERVUFADSH-AWEZNQCLSA-N 313.401 3.288 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)/C=C/c3ccco3)cc2)C1 96122195 VUSOZJPGXWPIOW-KBOKABMXSA-N 312.369 3.157 0 40 DGAB CCOC(=O)c1cc(OC)c2cc(Br)ccc2n1 685937414 OZRBRDSGDIXXDG-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB Cc1nn(C)cc1CN(C)C(=O)c1cccc(C(F)(F)F)c1 12065033 HENUSWYMVNKTFY-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB CC[C@H](CN1CCCCC1)NC(=O)C1(c2ccccc2F)CC1 12362952 KYLHNZHXPCDRIU-OAHLLOKOSA-N 318.436 3.238 0 40 DGAB Cc1c(-c2nc3ccccc3[nH]2)c(=O)n(-c2ccccc2)n1C 13216424 KDLWGTLCWUJRBQ-UHFFFAOYSA-N 304.353 3.028 0 40 DGAB CCOc1ccc2c(c1)cc(C(=O)N(C)CC(F)(F)F)n2C 19519963 WXXXARNVTZOMSW-UHFFFAOYSA-N 314.307 3.211 0 40 DGAB CCn1c(C)nc2cc(NC(=O)C[C@H]3CCCCO3)ccc21 19657641 DHTBKXBRIULYHK-CQSZACIVSA-N 301.390 3.262 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccco1)N1CCCC1 6432367 CAJPZRINKDFCST-SXSDINLZSA-N 310.397 3.246 0 40 DGAB CN(Cc1ccncc1)C(=O)CCc1nc2ccccc2s1 36397192 JGSRPHQSXIMJJS-UHFFFAOYSA-N 311.410 3.283 0 40 DGAB Cc1cc(C(=O)NCc2nc(C3CCCCC3)cs2)no1 390830789 NLKFVDUXGXOKSH-UHFFFAOYSA-N 305.403 3.417 0 40 DGAB CO[C@H](CCSC)CNC(=O)c1cccc2ccccc12 1888914171 JAPVZXFSZGZBRL-CQSZACIVSA-N 303.427 3.338 0 40 DGAB Cc1cnn(CC2CN(Cc3cccc(Br)c3)C2)c1 1849133481 FIINYMILYXWFER-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB COc1ccc(C(=O)N(C)[C@H]2CCc3ccccc32)cc1OC 30978191 DQDZRFJMXIDSMH-INIZCTEOSA-N 311.381 3.463 0 40 DGAB CC(=O)NC(Nc1ccccc1C)(C(F)(F)F)C(F)(F)F 162086 DFAYXJICLVGXMY-UHFFFAOYSA-N 314.229 3.364 0 40 DGAB COC1(CNc2ncnc3ccsc23)Cc2ccccc2C1 1775972248 FDPVUTLICJLCIP-UHFFFAOYSA-N 311.410 3.287 0 40 DGAB CC(=O)OCC(=O)c1cccc(OCc2cccc(F)c2)c1 575357340 HOSPMPIISZGXHE-UHFFFAOYSA-N 302.301 3.151 0 40 DGAB O=C(Nc1cccc(Oc2cnccn2)c1)c1ccccc1O 30001454 UMRAZGGONLZJQD-UHFFFAOYSA-N 307.309 3.227 0 40 DGAB CCCCCNC(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 40051415 MUYWNRZNRXZVEX-AWEZNQCLSA-N 300.406 3.423 0 40 DGAB C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(-c2ccccc2)cc1 30889053 RWJUUXFPJNBNGL-OAHLLOKOSA-N 318.376 3.478 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)CN1CCSC1=O 40493914 DCWGSJLIEWQLAE-LLVKDONJSA-N 318.398 3.121 0 40 DGAB Cc1cc([C@@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)s1 40510740 RCPXXPMCUIJHAA-MNOVXSKESA-N 310.463 3.093 0 40 DGAB COc1ccc(C(=O)C[C@H]2C(=O)Nc3ccccc32)cc1OC 101477384 CRMHRVCULZIVGQ-CYBMUJFWSA-N 311.337 3.013 0 40 DGAB O=C(NC(=S)Nc1nc2ccccc2s1)c1ccco1 170803 SVDFLZGNYXROFG-UHFFFAOYSA-N 303.368 3.016 0 40 DGAB CC(C)c1n[nH]c(S[C@@H](C)c2nc(-c3ccco3)no2)n1 29739156 CQBMBSPPFSCWRP-QMMMGPOBSA-N 305.363 3.424 0 40 DGAB CC(C)OCc1cccc(NC(=O)N(C)C[C@H]2CCCO2)c1 69038189 KBASWPKHMRQDTR-MRXNPFEDSA-N 306.406 3.254 0 40 DGAB CCn1nc(C)cc1C(=O)NCC[C@H](C)c1ccc(OC)cc1 76022006 SIWJISCPLZKPPP-ZDUSSCGKSA-N 315.417 3.144 0 40 DGAB COC(=O)c1cccc2c(C(=O)O)cc(-c3ccccc3)nc12 1707478 FCQQOHZCLACCCI-UHFFFAOYSA-N 307.305 3.387 0 40 DGAB C[C@H]1CN(C)c2ccccc2N(C(=O)CCc2cccnc2)C1 78877387 WKHKOWATMZRFBE-HNNXBMFYSA-N 309.413 3.133 0 40 DGAB C[C@@H](CO)NC(=O)c1ccc(NCc2ccc(Cl)s2)cc1 79016791 JLESCYBRHXJUDU-JTQLQIEISA-N 324.833 3.124 0 40 DGAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1 4611358 QKMDOUWFLNZPCZ-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1nnc(SCC(=O)c2ccc(Br)cc2)o1 6861499 UWWNKHMAVCJRSG-UHFFFAOYSA-N 313.176 3.116 0 40 DGAB O=C(Nc1ccc(NC(=O)C(F)(F)F)cc1)c1ccccc1 8071191 LPSZDUKNCPTXDX-UHFFFAOYSA-N 308.259 3.440 0 40 DGAB CC(C)[C@@H](C)NC(=O)c1cccc(OCc2cscn2)c1 21872365 NQNVOIARMOAYDM-GFCCVEGCSA-N 304.415 3.496 0 40 DGAB COc1ccc(CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 21803776 XJJJTBCNTAEJQI-CYBMUJFWSA-N 324.380 3.002 0 40 DGAB COc1ccc(C(=O)Nc2nsc(-c3ccccc3)n2)cc1 2889439 ANWJFEOZAGUWCE-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H]2CCCC[C@H]2C)c1C 21875440 PLSHSHYPRLZHOF-ZWNOBZJWSA-N 306.406 3.117 0 40 DGAB CCc1ocnc1C(=O)N1CCCC[C@H]1c1nc(C)cs1 72292222 RLPPWEKQBUCBPH-NSHDSACASA-N 305.403 3.369 0 40 DGAB COC(=O)c1ccc(-c2nnc(-c3ccc(N(C)C)cc3)o2)cc1 3177597 BKQKBXLMWDIJKL-UHFFFAOYSA-N 323.352 3.256 0 40 DGAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nncs1 21214346 NGDFYAMYUVGSDO-JTQLQIEISA-N 305.403 3.242 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1F 12531871 YIRMJLSGSINHPJ-KRWDZBQOSA-N 323.371 3.387 0 40 DGAB Cc1nn(CCO)c(C)c1CN[C@H]1CCCCc2ccccc21 72230532 MALKNOHSLUTMSX-IBGZPJMESA-N 313.445 3.050 0 40 DGAB COC(=O)c1ccc(NCC(=O)Nc2cc(C)cc(C)c2)cc1 3220397 VVRCOESFERSGHT-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccnc2)on1 35478268 QEMWDLZWFNVBQH-GFCCVEGCSA-N 305.337 3.328 0 40 DGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2cccc(F)c2)C1=O 12600683 CGAGBKAVWIOSAW-SFHVURJKSA-N 312.344 3.183 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1cn2ccccc2n1 12627956 IUJVVGVZBQUAHF-UHFFFAOYSA-N 306.369 3.187 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1cnc2ccccc2c1 48280185 XWFCKCFVTZLXHY-UHFFFAOYSA-N 308.385 3.156 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)c1ccnc(-n2ccnc2)c1 58054670 IKMGVJFQWOEFJB-LBPRGKRZSA-N 312.398 3.162 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)Cn1c(=O)oc2ccccc21 3352924 QOWPFMZHCNFRSI-UHFFFAOYSA-N 306.321 3.267 0 40 DGAB COCCN1C(=O)[C@@H](Sc2ccccc2)[C@H]1c1cccs1 58203122 LMFUXTMFBDEJSG-CABCVRRESA-N 319.451 3.439 0 40 DGAB CC(=O)c1cc(Br)ccc1NC(=O)c1ccncc1 97107075 OYFLRXGPXDGQBM-UHFFFAOYSA-N 319.158 3.299 0 40 DGAB Cc1cc(C(=O)Nc2cccc(Cl)c2)c2cnn(C)c2n1 36616570 XZFOKVKJPANFSY-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB COc1ccc(C(=O)c2cn(-c3ccccc3)nc2C(C)=O)cc1 36628650 UUJKDSLOHNUXJF-UHFFFAOYSA-N 320.348 3.315 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCCC[C@@H]2Cn2cccn2)c1 69970136 XPMPVFXJACBCQS-CEXWTWQISA-N 323.440 3.376 0 40 DGAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccc(F)cc1 11531491 USWWSAXTPDLDMF-UHFFFAOYSA-N 316.723 3.016 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2sccc12 3420705 GUOHZJMHEWPUHN-PWSUYJOCSA-N 321.471 3.478 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)c1ccc(-n2cncn2)cc1 12995744 PREWXIZXKDGYGM-CQSZACIVSA-N 306.369 3.067 0 40 DGAB Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)cc1C 8315832 WCGCQXVTQMEFAJ-UHFFFAOYSA-N 314.360 3.153 0 40 DGAB Cc1sc(N2CCOCC2)nc1-c1ccc2c(c1)CCC2 8390946 LHLPGGVPOJAQGG-UHFFFAOYSA-N 300.427 3.444 0 40 DGAB CC(C)NC(=O)c1cc(-c2cccnc2)n(-c2ccccc2)n1 64896631 XLYOYLHXNOIGJB-UHFFFAOYSA-N 306.369 3.073 0 40 DGAB O=C(Nc1c(-c2cccs2)nc2ccccn12)c1cnccn1 65589395 YTFQLSATYINNSK-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)OC 14113246 UMPHLMFQMSTQHT-NHYWBVRUSA-N 323.458 3.335 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)C[C@@H](C)O1 14114419 HMZWTRDVZADNQZ-BETUJISGSA-N 312.413 3.296 0 40 DGAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCCO4)cc3c2C1 6601497 ZNMNJFOICMRSPE-JSGCOSHPSA-N 312.413 3.202 0 40 DGAB O=c1c2ccccc2ncn1Cc1ccccc1C(F)(F)F 6841971 RZSQIMNUTHVLAF-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB CCc1ccc(C(=O)Cn2nnc(-c3ccccc3C)n2)cc1 4956790 ZFXRLLBMTHBZGO-UHFFFAOYSA-N 306.369 3.094 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 69771353 YKAXCQMAKRORST-AWEZNQCLSA-N 315.442 3.219 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(C(C)=O)cc1 7056408 PPGJMMSUYPBBAL-UHFFFAOYSA-N 319.382 3.007 0 40 DGAB CCN(CC)c1ncc(CN2CCC[C@H](c3cn[nH]c3)C2)s1 92809445 ZBMVXOYKJPNALO-ZDUSSCGKSA-N 319.478 3.092 0 40 DGAB COc1cc([C@H](C)NCc2cccc(O)c2)cc(OC)c1OC 69871668 XUXRNIJNLHIYAJ-LBPRGKRZSA-N 317.385 3.269 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)N(C)CC(C)C)cc1 68399518 FMQNHZBTVZBACD-CQSZACIVSA-N 319.449 3.012 0 40 DGAB CS(=O)(=O)c1ccc(-c2csc(-c3cccnc3)n2)cc1 8887718 CBDIQTNMPYCESL-UHFFFAOYSA-N 316.407 3.276 0 40 DGAB Cc1cccc(O)c1NC(=O)c1csc([C@H]2CCCO2)n1 97233798 MHBGJSUQAXMQJL-GFCCVEGCSA-N 304.371 3.261 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2ccc3[nH]cnc3c2)cc1 9364517 YQDMPRSTROWDDX-LBPRGKRZSA-N 309.369 3.453 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H](c2ccco2)N2CCCC2)cc1 9502512 FHGOMACSXMYNLJ-KRWDZBQOSA-N 312.413 3.084 0 40 DGAB CCOc1cccc(CNCCCN(C)CC(F)(F)F)c1 97465579 MJYUBLIJUVTCPB-UHFFFAOYSA-N 304.356 3.059 0 40 DGAB COCCN(C(=O)CCc1ccc(Cl)cc1)c1ccncc1 71907664 IWAQWOHYZHOUNT-UHFFFAOYSA-N 318.804 3.347 0 40 DGAB Cc1nc(CCC(=O)NCCSCc2ccccc2)cs1 71903333 NMLAXVTXWDBDOP-UHFFFAOYSA-N 320.483 3.434 0 40 DGAB CCN(C(=O)[C@H](C)OC)[C@H](c1ccc(C)cc1)c1cccnc1 71903068 RRHPVYCUSCYLQO-MAUKXSAKSA-N 312.413 3.363 0 40 DGAB CCCc1sc(C(=O)N2CCc3[nH]ncc3C2)cc1CC 95956380 IQOVRFNAFBXHIB-UHFFFAOYSA-N 303.431 3.185 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@H](C)Cn1cncn1 95967514 IXFBHKAVRNKNLE-MNOVXSKESA-N 307.467 3.080 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2c2ccccc2)c(=O)[nH]1 75123025 QGBCXGOXICYALC-NVXWUHKLSA-N 310.397 3.140 0 40 DGAB O=C(NCCCn1ccnc1)[C@H]1C[C@H]1c1ccc2ccccc2c1 89878733 PDJFUEDSJUUHGP-OALUTQOASA-N 319.408 3.346 0 40 DGAB COc1ccc(CCCNC(=O)Cc2cccs2)cc1OC 65086124 ZAIQWBGKYYQPKU-UHFFFAOYSA-N 319.426 3.057 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCCC(C)C)CC1 408707647 PUUYVLHMMAVODF-UHFFFAOYSA-N 310.482 3.260 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc(OC)c(F)c2)cc1 126111960 VFKNCLQIADYQAL-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB COc1ccc(/C=C(/C(N)=O)c2nc3ccccc3s2)cc1 33368974 KITCTISLFFGFON-RAXLEYEMSA-N 310.378 3.331 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2C)C1=O 36635539 DQXDWOXRBXFWHL-MRXNPFEDSA-N 308.381 3.301 0 40 DGAB O=C(c1cc(=O)[nH]c2ccc(F)cc12)N1CCCCCCC1 78031777 OKUHVTCEJPDNDV-UHFFFAOYSA-N 302.349 3.074 0 40 DGAB CCn1c(S[C@@H](C)C2CCOCC2)nnc1-c1ccco1 521395023 QWGSLMFSCSJRHG-NSHDSACASA-N 307.419 3.465 0 40 DGAB CCOc1c(F)cccc1C(=O)N1CCSc2ncccc21 72497161 WHQIDIWRZZJZHM-UHFFFAOYSA-N 318.373 3.372 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254902 CJZDALNAKJLTDG-HNNXBMFYSA-N 321.380 3.139 0 40 DGAB COc1ccc(O[C@H](Cc2ccccc2Cl)C(=O)O)cc1 225056804 XQUWZZVKUHIKTB-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB COC(=O)C[C@H](C(=O)OC)C1c2ccccc2-c2ccccc21 85388771 BGAJRPLNIWWCRP-INIZCTEOSA-N 310.349 3.151 0 40 DGAB CCSCc1cccc(NC(=O)NC[C@H]2CC[C@@H](O)C2)c1 195578942 FGAQIOKTDYMOMW-SWLSCSKDSA-N 308.447 3.222 0 40 DGAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccc(F)cc1 224184003 UORUPXKNDDBSMB-ZDUSSCGKSA-N 301.427 3.462 0 40 DGAB CCc1nc(NC(=O)COc2ccc(C(C)=O)cc2)sc1C 40123091 OMGZGPHHKXXTLW-UHFFFAOYSA-N 318.398 3.234 0 40 DGAB COc1cccc(O[C@H](Cc2cc(C)ccc2OC)C(=O)O)c1 225118239 OGQCAIWIVFOGGC-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB OC[C@@H](NCc1csc(C2CCCCC2)n1)[C@H]1CCCOC1 574019006 NFOURCHVNATGNG-GOEBONIOSA-N 324.490 3.068 0 40 DGAB CO[C@H]1CCN(C(=O)c2cncc(C)c2)C[C@@H]1Cc1ccccc1 96110487 KEUOPMBLPKAPMM-OALUTQOASA-N 324.424 3.110 0 40 DGAB C[C@H](CCn1cccn1)Nc1cccc(C(=O)N2CCCC2)c1 97234768 KANYTQFFKPZQBQ-OAHLLOKOSA-N 312.417 3.010 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)N[C@@H](C)c2nc(C)cs2)C1(C)C 96415411 SKYZPINMACMSFN-SDDRHHMPSA-N 311.451 3.015 0 40 DGAB CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@H](C)CSC)s1 96440474 GWQKTIWJSMLXDO-KOLCDFICSA-N 315.508 3.468 0 40 DGAB CSc1ccc(CNC(=O)NCCc2ccncc2C)cc1 95438057 KOHKJDJINUPYFO-UHFFFAOYSA-N 315.442 3.154 0 40 DGAB CN(C)c1cccc([C@H]2CCCN2C(=O)CC[C@H]2CCCO2)c1 96410186 IQGPCFUYANHWLD-QZTJIDSGSA-N 316.445 3.375 0 40 DGAB O=C(c1ccsc1)N(CCc1ccccc1)[C@H]1CCOC1 96460267 CIMZNRRQLWXGSZ-INIZCTEOSA-N 301.411 3.222 0 40 DGAB Cc1csc([C@H](NC(=O)Cc2ccc(F)cc2)C2CC2)n1 96425446 WXFBMLUFJXMAOV-OAHLLOKOSA-N 304.390 3.401 0 40 DGAB COc1ccccc1C[C@H](C)NC[C@@](C)(O)c1ccsc1 95423040 PKBGAXJQRDDWDW-SUMWQHHRSA-N 305.443 3.185 0 40 DGAB COc1cccc(Br)c1OC(=O)c1cscn1 96482588 AANHIUWEKKBAMR-UHFFFAOYSA-N 314.160 3.133 0 40 DGAB O=C(Cc1ccoc1)N1CCC[C@@H](Cn2cnc3ccccc32)C1 585079696 MGHNBGNQTXPXTA-MRXNPFEDSA-N 323.396 3.111 0 40 DGAB CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2[C@H]1O 575419741 JWFRDPIAIRJCMC-LLVKDONJSA-N 314.179 3.191 0 40 DGAB CCc1ccc(O)c(C(=O)N2CCOC[C@@H]2c2ccc(C)o2)c1 94154501 OCXNNZGEBHKSLN-OAHLLOKOSA-N 315.369 3.070 0 40 DGAB O=C(O)CCCCNC(=O)c1ccc(-c2ccc(F)cc2)o1 95425307 AIGGIQOGHSQMBQ-UHFFFAOYSA-N 305.305 3.070 0 40 DGAB CC(=O)Nc1nc([C@@H]2CCCN2Cc2ncccc2C)cs1 1615525642 KUKSBVPQDYZPGW-HNNXBMFYSA-N 316.430 3.142 0 40 DGAB CN(Cc1cccs1)S(=O)(=O)c1ccccc1Cl 5120223 XWAKPMJDCAGQEQ-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB Cc1ccc2nc3c(cc2c1)CN(Cc1ccco1)C(=O)CO3 12113096 RFKLHFWPEKNLHK-UHFFFAOYSA-N 308.337 3.057 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(C(F)(F)F)cc1 14239662 IHMJATZWIDFFMT-UHFFFAOYSA-N 321.258 3.127 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(C)cc1 16083756 RCMTVPGFACGXRW-CYBMUJFWSA-N 305.399 3.043 0 40 DGAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2Cl)C1=O 3460126 UWVVGXVBDCAPMZ-QGZVFWFLSA-N 314.772 3.307 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)n1 1848352245 QQTFJZDGBXDFKW-QGZVFWFLSA-N 322.412 3.116 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)NCCc1ccccn1 40099175 CDJXJRSGSCLIBM-UHFFFAOYSA-N 319.792 3.416 0 40 DGAB CC(C)CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 30768839 KGAGDPPSZLGBAA-AWEZNQCLSA-N 320.433 3.073 0 40 DGAB CCC[C@H](C)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 51203796 PEHPPYWMBDWDDM-SUMWQHHRSA-N 300.402 3.255 0 40 DGAB CC[C@@](C)(NC(=O)Cc1cccs1)C(=O)NC1CCCCC1 246511 GAAWECTWSGDRGG-QGZVFWFLSA-N 322.474 3.024 0 40 DGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)OCC1CCCCC1 11806541 IEUMMPXIGXGGPY-HNNXBMFYSA-N 307.390 3.158 0 40 DGAB Cc1cc(C)c(OCC(=O)NCc2cccnc2)c(Cl)c1 778614 YADMOMQFRNRNHW-UHFFFAOYSA-N 304.777 3.047 0 40 DGAB CCN(Cc1ccc(S(=O)(=O)O)cc1)c1cccc(C)c1 1648166 GEGYISULLZOCOD-UHFFFAOYSA-N 305.399 3.268 0 40 DGAB CN(Cc1nccn1C)C(=O)c1cc2cc(F)ccc2s1 32820641 KMIICWRVWZCPDM-UHFFFAOYSA-N 303.362 3.046 0 40 DGAB Cc1ccc(C)c([C@@H]2CN(C(=O)c3cc(C)no3)[C@H](C)CO2)c1 78877678 HOPGTOIJUPHCGG-PBHICJAKSA-N 314.385 3.202 0 40 DGAB Cc1cc(C)c(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2C)cc1C 78898391 IXTDTCZVYIDDFO-QFBILLFUSA-N 314.473 3.348 0 40 DGAB C[C@@H](NC(=O)NC[C@](C)(O)c1ccco1)c1cccc(Cl)c1 78939742 GWSPEQIWKMGTON-BZNIZROVSA-N 322.792 3.201 0 40 DGAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccco1 3207932 JLVKMFBGDAMWMA-UHFFFAOYSA-N 310.762 3.068 0 40 DGAB C[C@@H](NC(=O)Nc1cccc2cnccc12)C(=O)OC(C)(C)C 69655781 UGFAXVSRHYZXPH-LLVKDONJSA-N 315.373 3.087 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)cc1 7400657 YJGWCZCAMQTTNS-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB C[C@@H](O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 7540900 URMYNGAXHBPSJY-CJNGLKHVSA-N 301.386 3.269 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N(C)Cc1cccc(O)c1 69620151 GEJMQZFYNHKCHD-SJORKVTESA-N 311.381 3.163 0 40 DGAB Cc1csc(SCc2nc3c(C)cccc3c(=O)[nH]2)n1 8505609 ZCDMSWFXPKIZEQ-UHFFFAOYSA-N 303.412 3.289 0 40 DGAB O=C(O)CSc1ccc(NC(=O)c2cccnc2Cl)cc1 8051416 OAIYEMHPGNIHAO-UHFFFAOYSA-N 322.773 3.164 0 40 DGAB COc1ccc([C@@H]2CC(c3cc(C)ccc3O)=NC(=N)N2)cc1 8655576 ONQNMOIDZUDAEZ-HNNXBMFYSA-N 309.369 3.168 0 40 DGAB Nc1nc(SCC(=O)Nc2ccccc2)nc2sccc12 9835912 VZQPAVMBHWBZFR-UHFFFAOYSA-N 316.411 3.004 0 40 DGAB Cc1cccc(N2CCN(c3nccc(C(F)(F)F)n3)CC2)c1 24055252 AKCACKUROBGNHQ-UHFFFAOYSA-N 322.334 3.130 0 40 DGAB COc1cccc(C(=O)c2ccc(C3OCCO3)s2)c1OC 43210443 LMHSSKDUWUQKIA-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB Cc1nc(N2CCCCCC2)ncc1C(=O)N1CCCCCC1 1390151 KPRVUIBFLYSPSS-UHFFFAOYSA-N 316.449 3.182 0 40 DGAB C[C@H]1CN([C@H](C)c2nnc(-c3cccs3)o2)CC(C)(C)O1 106575277 RKNLEHUDVVDHAD-WDEREUQCSA-N 307.419 3.358 0 40 DGAB Cc1cccc(C(=O)N[C@H]2CSc3ccc(C)cc3C2=O)c1 1404143 CZJSUVDDVPIJQA-HNNXBMFYSA-N 311.406 3.390 0 40 DGAB COc1cccc2ccn(CCC(=O)NC[C@H]3C[C@H]4C=C[C@H]3C4)c12 100794125 AVUFHUJGRKQEIP-BHYGNILZSA-N 324.424 3.368 0 40 DGAB biogenic C[C@H](Sc1nnc(N)s1)c1nc(-c2cccs2)no1 26015507 NCRSWRBNGNIJJN-YFKPBYRVSA-N 311.417 3.085 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1ccccc1C(=O)O 1640169 KBHOWWNGDMGYRD-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB CC[C@@H]1CCCCN1C(=O)COC(=O)c1ccc(C)c(C)c1 3246961 SFAGAAIWOFHZEX-MRXNPFEDSA-N 303.402 3.251 0 40 DGAB O=C(NCCOc1cccc(Cl)c1)c1cccc2[nH]ncc12 58312121 WIXAYWYMHBSDDU-UHFFFAOYSA-N 315.760 3.025 0 40 DGAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1nncs1 2082063 DEKGNIITQNFQEJ-UHFFFAOYSA-N 311.794 3.298 0 40 DGAB CCOC(=O)Cc1csc(SCc2c(C)noc2C)n1 58031746 RADHIHBFQICCHE-UHFFFAOYSA-N 312.416 3.146 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2cccs2)cc1 3307563 YHOQKMCVUMBNSG-MDZDMXLPSA-N 314.410 3.167 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)N(C)C1CCC(C)CC1 25625740 QYXNYOPSFAUKEZ-UHFFFAOYSA-N 323.458 3.049 0 40 DGAB COCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 12858854 NHWJAVOILZDXHW-UHFFFAOYSA-N 314.414 3.500 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2noc3ccccc23)c(C)c1 12917980 ABKFWVKWSITLMW-UHFFFAOYSA-N 324.336 3.104 0 40 DGAB CCOc1ncccc1C(=O)Nc1cc(Cl)ccc1OC 6084324 OCGWEVSBAFLDGU-UHFFFAOYSA-N 306.749 3.395 0 40 DGAB C[C@H](NC(=O)COCc1nc2ccccc2s1)c1ccco1 39517278 FVXZRSPGYSLLAQ-NSHDSACASA-N 316.382 3.283 0 40 DGAB Cc1ccc([C@H]2CCC[C@@H]2OC(=O)c2ccc(C)[nH]c2=O)cc1 97002029 CHLIORGRKPPKSU-WBVHZDCISA-N 311.381 3.485 0 40 DGAB Cc1cc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)on1 65487609 SLUHHKVSGWFEBH-CYBMUJFWSA-N 321.446 3.311 0 40 DGAB COc1ccc(NC(=O)Cn2cc(-c3ccccc3)cn2)cc1 65568443 VDNDNTDFTUGEMT-UHFFFAOYSA-N 307.353 3.197 0 40 DGAB O=c1[nH]c2ccc(-c3csc(-c4ccc(O)cc4)n3)cc2[nH]1 14233726 GWGVKTHCIGYXRF-UHFFFAOYSA-N 309.350 3.352 0 40 DGAB C[C@@H](OC(=O)Cc1c[nH]c2ccccc12)C(=O)Nc1ccccc1 5400065 HMBBXIQFZOUPIW-CYBMUJFWSA-N 322.364 3.281 0 40 DGAB c1cncc(-c2nc3sc4c(c3c3nncn23)CCCC4)c1 6528108 DUPOQSZMRLJXAU-UHFFFAOYSA-N 307.382 3.280 0 40 DGAB CC[C@H](C(=O)OCC(=O)NC1CCCCC1)c1ccccc1 66276093 UGVPDVIHOOHXKM-INIZCTEOSA-N 303.402 3.172 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCC1 4744943 HDOKEMNJNUOTOS-OAHLLOKOSA-N 306.837 3.174 0 40 DGAB CCN1C(=O)[C@H](Cc2ccc(OC)cc2OC)c2ccccc21 15018220 KMBXGXMYHMNQRR-MRXNPFEDSA-N 311.381 3.397 0 40 DGAB O=C(COc1ccc(-c2ccccc2)cc1)NCc1ccncc1 15434290 VRNKOQNARRPMFF-UHFFFAOYSA-N 318.376 3.444 0 40 DGAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccoc2C)o1 7194510 KKAPQFJYQRIGDY-SECBINFHSA-N 309.391 3.035 0 40 DGAB CCc1ccc(C(C)(C)NC(=O)c2cnn3ccc(C)nc23)cc1 81701863 NUPFLYCJDFWLTL-UHFFFAOYSA-N 322.412 3.265 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)Nc1cc(N)ccc1F 19736601 XSHWVTGUOWGWAD-VIFPVBQESA-N 308.740 3.467 0 40 DGAB O=C(CCc1ccncc1)NCC1(c2ccc(F)cc2F)CC1 96485820 RQNJEBMWWXOGAE-UHFFFAOYSA-N 316.351 3.140 0 40 DGAB O=C(NC1CCC(O)CC1)[C@@H](OC1CCCC1)c1ccccc1 96403377 QJGQSYGKQBVFPV-HTWSVDAQSA-N 317.429 3.107 0 40 DGAB C[C@H](NC(=O)Nc1cccc2cccnc12)C1CCN(C)CC1 72285582 KYVVIVIEOFNDJR-ZDUSSCGKSA-N 312.417 3.087 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCC[C@H](C)C2)cc1C 19943723 SJWWNEHCQQYARC-LBPRGKRZSA-N 311.447 3.123 0 40 DGAB CCCOc1cccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 9780232 ATZGIGYGIUMTOM-GJZGRUSLSA-N 305.374 3.305 0 40 DGAB Cc1cccc(-c2noc(CN3CCC(c4cn[nH]c4)CC3)n2)c1 97203457 HDVPQUBROFKDGU-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB C[C@@]1(c2ccccc2)CN(C(=O)Cc2cccs2)CCO1 84673616 SEAJUSUBRBOBNR-KRWDZBQOSA-N 301.411 3.065 0 40 DGAB CC(C)n1cc(NC(=O)N(C)Cc2cc(Cl)cn2C)cn1 95411786 BUEYUSBTZDYDRB-UHFFFAOYSA-N 309.801 3.120 0 40 DGAB CC1(C)C[C@@H]1C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 95973258 PUTQYNCLSDVATP-GDBMZVCRSA-N 315.413 3.128 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@H](c1nccs1)C1CC1 74708719 LIIJVVYVVCXDIP-ZDUSSCGKSA-N 320.418 3.041 0 40 DGAB Cn1ccnc1CNC(=O)N(C1CC1)[C@H]1CCCc2ccccc21 89761440 IPWUYQSUAIGCMH-KRWDZBQOSA-N 324.428 3.172 0 40 DGAB Cc1cccc(CNC(=O)C2(c3ccccc3)CCOCC2)c1 33002786 GFKCRJYRLAQMRE-UHFFFAOYSA-N 309.409 3.360 0 40 DGAB CN(CCNC(=O)CSc1ccc(F)cc1)c1ccccc1 22838539 GAJGBXYVQZRCEP-UHFFFAOYSA-N 318.417 3.170 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccc(F)cc2)c1 30132846 WUXXRZZEXRHNDO-CQSZACIVSA-N 317.360 3.097 0 40 DGAB CC(C)N(C(=O)Cc1ccc2c(c1)NC(=O)C2)C1CCCCC1 182526599 CDRSNUVUBIACCA-UHFFFAOYSA-N 314.429 3.293 0 40 DGAB Cc1cc(NC(=O)N2CC[C@H](C)C[C@H]2c2ccco2)nn1C 195568945 DTSRXMJUKPAEQY-AAEUAGOBSA-N 302.378 3.327 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCC(C)C 224313720 KRJRGEIOFOXPKO-AWEZNQCLSA-N 322.424 3.115 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)C1 222277648 VOZOCYBNYWMPJZ-SNUQEOBHSA-N 318.392 3.213 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 44845206 YEHNBRAGWHQEQP-UHFFFAOYSA-N 322.408 3.412 0 40 DGAB CSc1nc(C)cc(N2c3ccc(C(=O)O)cc3C[C@H]2C)n1 226105555 BJNXYIUUWNDPPG-SNVBAGLBSA-N 315.398 3.288 0 40 DGAB CCCOCc1cc(C(=O)N2CCC(C)CC2)ccc1OC 224416897 IQZJGULARNSXIH-UHFFFAOYSA-N 305.418 3.494 0 40 DGAB Cc1cccc(NC(=S)NCCSCc2ccco2)n1 225349361 WITUOVHZJZCFIX-UHFFFAOYSA-N 307.444 3.203 0 40 DGAB COc1ccc(C)cc1C[C@H](Oc1ccc(C)cc1)C(=O)O 225117271 OFDDTYVGNNFVGD-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SC)s1 225531425 FMQCUWKVIWCGLM-NSHDSACASA-N 323.443 3.365 0 40 DGAB O=C(Nc1cnc(Oc2ccccc2F)nc1)c1ccccn1 224284573 KIFFRFBVFJSQQF-UHFFFAOYSA-N 310.288 3.055 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2C)cc1C 96658841 LCOJZJPLSJRTPH-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB O=C1OC(c2cccc(F)c2)=N/C1=C/c1ccc(F)c(F)c1 96018747 DAFGMADALNCVJM-VGOFMYFVSA-N 303.239 3.448 0 40 DGAB COc1ccc(-c2noc([C@@H]3OCCc4ccccc43)n2)cc1 95432547 XXPMSZDUOMNPKO-MRXNPFEDSA-N 308.337 3.407 0 40 DGAB CNc1ccc(C(=O)Nc2ccccc2-c2ncc(C)[nH]2)nc1 1595574390 WXLAWUHCVWXVGB-UHFFFAOYSA-N 307.357 3.074 0 40 DGAB O=C(Cc1ccc2ccccc2c1)N1CC[C@H](c2ccn[nH]2)C1 257327538 XBTPJLLNJPTSEF-KRWDZBQOSA-N 305.381 3.122 0 40 DGAB Cc1cccc(C(=O)N2C[C@H]3[C@@H](Oc4ccccc4)CC[C@H]3C2)n1 257257297 KOYHHWRLRVUUKQ-WDYCEAGBSA-N 322.408 3.320 0 40 DGAB O=C(Cc1ccsc1)N1CCC(Cc2ccncc2)CC1 257313443 USLJWXQBFKJHBH-UHFFFAOYSA-N 300.427 3.167 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2c[nH]c(C)n2)cc1 270112043 PNDMMYTYEJHJJD-KRWDZBQOSA-N 313.401 3.484 0 40 DGAB Cc1cc(C(=O)NCc2nccnc2-c2cccs2)c(C)o1 575606900 VTGLYIOKZAMYBI-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB C[C@@H]1C[C@@H](NC(=O)N2CCC3(CCCCC3)CC2)c2ncnn21 661533539 JMSQPACQMCKMHG-ZIAGYGMSSA-N 317.437 3.040 0 40 DGAB Cc1ccccc1-c1n[nH]c2c1CCN(C(=O)C1(C)CC1)CC2 585110453 XYADBFCJCKNHHT-UHFFFAOYSA-N 309.413 3.112 0 40 DGAB CC1(C)C[C@@H]1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 655266986 MAMUWQVFPPBBQL-OAHLLOKOSA-N 309.413 3.382 0 40 DGAB CCOC(=O)c1ccc(NC(=O)COc2ccc(F)cc2)cc1 5636851 JBAYOALNHUYCIX-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CCc1cc(Nc2ccc(Br)cc2)n2ncnc2n1 13365063 LEPFZWJGDKKPNG-UHFFFAOYSA-N 318.178 3.193 0 40 DGAB COc1ccc(-c2noc([C@H](C)NC(=O)c3ccccc3)n2)cc1 13495125 CGRLBPVYQXRZLQ-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB Cc1nc(SCc2ccc(Cl)cc2)nc(O)c1C[C@@H](C)O 16981409 XZVUMBDOVHMJSP-SECBINFHSA-N 324.833 3.360 0 40 DGAB CN(C)c1ccc(CNCCc2nc3ccccc3n2C)s1 19289924 OJEWHWIWJFKEST-UHFFFAOYSA-N 314.458 3.033 0 40 DGAB Fc1ccc(F)c(CN2CCC(COc3cnccn3)CC2)c1 1849679458 NUGOVDMHSBCPIZ-UHFFFAOYSA-N 319.355 3.046 0 40 DGAB COc1ccc([C@@H]2CCCN2Cn2ncsc2=S)cc1 24435114 UNFXQKSSRBHVGA-ZDUSSCGKSA-N 307.444 3.477 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@@H]1C[C@H]2CC[C@@H]1C2 4687129 GHTFUCHQHVWZKA-MJBXVCDLSA-N 310.397 3.211 0 40 DGAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccc(F)cc1 13011501 XEDFKYXGQKTKCM-INIZCTEOSA-N 318.417 3.454 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3CC)cc1 17288895 KZTQQNLBGIELLM-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB O=C(NCc1cc(-c2ccc(Cl)cc2)on1)c1ccccn1 38753082 GUDWRNGYRISCKC-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB NC(=O)c1ccc(CN(Cc2cccc(F)c2F)C2CC2)cc1 40059790 FAPDBWCJRKLBDS-UHFFFAOYSA-N 316.351 3.228 0 40 DGAB COc1cccc(C2=C[C@@H](c3cccs3)n3ncnc3N2)c1 100636855 DNBYUXNTTVIEEW-AWEZNQCLSA-N 310.382 3.404 0 40 DGAB O=C(c1cccc(F)c1F)N1CCO[C@@H](c2ccc(F)cc2)C1 69589212 ZFFUTJBPIJSYBW-OAHLLOKOSA-N 321.298 3.318 0 40 DGAB Cc1ccc(OCC(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1 129487 VPKBYPPFYHOBJZ-UHFFFAOYSA-N 324.332 3.394 0 40 DGAB biogenic CC(C)c1nc(SCC(N)=O)c2c3c(sc2n1)CCCC3 414381 LQQKWTSLKSTWGA-UHFFFAOYSA-N 321.471 3.271 0 40 DGAB O=c1[nH]c(SCCOc2ccc(Cl)cc2)nc2c1CCC2 11905494 JTGWWXAAOWKICM-UHFFFAOYSA-N 322.817 3.083 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@H]1C)c1cccc(F)c1 78896885 BKRJJVALZOLBCU-IGCXYCKISA-N 304.409 3.123 0 40 DGAB O=c1cc(O)c2cc(Br)cc(Br)c2o1 2583685 ZBFSIIJUFKSXPB-UHFFFAOYSA-N 319.936 3.024 0 40 DGAB C[C@@H]1CCCCN1c1cnn(-c2ccccc2)c(=O)c1Cl 3566560 WYMWFTKBLWCBGX-GFCCVEGCSA-N 303.793 3.265 0 40 DGAB CCC(C)(C)NC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 32909225 ASAQFUIAXHRKKJ-GFCCVEGCSA-N 320.458 3.066 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 7212829 DFEKTRZFLRGONN-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CCCc1nnc(Sc2ccc(C=O)cc2[N+](=O)[O-])n1CC 7610282 PCZHMSXREBDDAL-UHFFFAOYSA-N 320.374 3.122 0 40 DGAB COc1cc2c3c(ccc2c(OC)c1OC)-c1[nH]ncc1CC3 8566536 ZNNRDWNODYPGBA-UHFFFAOYSA-N 310.353 3.354 0 40 DGAB Cc1nc(-c2ccccc2F)sc1C(=O)N1CCC(=O)CC1 12389346 WBBGAMXRNHKXDO-UHFFFAOYSA-N 318.373 3.063 0 40 DGAB O=C(O)c1cc(-c2ccc(OCCc3ccccc3)cc2)n[nH]1 53943976 VPSWUZFWHVMNML-UHFFFAOYSA-N 308.337 3.396 0 40 DGAB CCCC[C@H]1CCC[C@@H]1NC(=O)NC1CCC2(CC1)OCCO2 69766927 GTYHJQJVERPIOM-HOCLYGCPSA-N 324.465 3.330 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3cccs3)c2)n1 47318169 VPNUJTXEZCHZNF-UHFFFAOYSA-N 311.366 3.059 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 54634497 UUWMHEHPBUPKAP-WBMJQRKESA-N 308.385 3.475 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)[C@@H](C)OCC(F)(F)F)sc2C1 42848085 HIJGKEDFGNGZME-HTQZYQBOSA-N 322.352 3.174 0 40 DGAB CC(C)(C)OC(=O)N1CCc2c1ccc1[nH]c(C(=O)O)cc21 34203470 LPYGXQLRFJTBFA-UHFFFAOYSA-N 302.330 3.164 0 40 DGAB COc1cccc(NC(=S)NC[C@@H](C)N2CCCC[C@@H]2C)c1 105677952 GNPPSBHLDDRRRQ-UONOGXRCSA-N 321.490 3.245 0 40 DGAB O=C(NC(C1CC1)C1CC1)[C@@H]1CC(c2ccc(Cl)s2)=NO1 55101429 BQWHIEDVEVRDAM-NSHDSACASA-N 324.833 3.199 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55945410 RROMGLLSXIGLHD-GOEBONIOSA-N 318.348 3.081 0 40 DGAB O=C(COC1CCCC1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946635 JXNKBMAKAIBEEX-FUHWJXTLSA-N 321.392 3.121 0 40 DGAB OC[C@@H]1CCC[C@H]1N[C@@H]1CCc2c(Br)cccc21 108373354 ZXMOQZQELRBDMB-COLVAYQJSA-N 310.235 3.187 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCC(C)CC2)cc1C 26843933 HJYXWXZYNJYVKS-UHFFFAOYSA-N 311.447 3.123 0 40 DGAB CCc1cc(C(=O)NCCCCN2CCCCC2=O)sc1C 58014786 FNVOJZHOHJMUSI-UHFFFAOYSA-N 322.474 3.141 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2 104492713 JQWADFJXACVBHO-UPGMHYFXSA-N 309.494 3.453 0 40 DGAB COc1ccccc1OC[C@H](C)NC(=O)NC1CCCCC1 57367458 QEDHNSXTFBQTQD-ZDUSSCGKSA-N 306.406 3.094 0 40 DGAB CC(C)CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58292018 DHEDRXGDXTVSIP-UHFFFAOYSA-N 308.385 3.083 0 40 DGAB COc1cccc(C(=O)NCCc2c[nH]c3cc(OC)ccc23)c1 2129838 LXWYMXBTAVBNMS-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic O=C(OCc1nc2ccccc2n1C(F)F)C1(O)CCCCC1 44949971 RQWUIFMUAAXSED-UHFFFAOYSA-N 324.327 3.170 0 40 DGAB CCOCCCNC(=O)COc1ccc(-c2ccccc2)cc1 27935102 JMOVTZNRNWQAPA-UHFFFAOYSA-N 313.397 3.275 0 40 DGAB CSc1ccccc1C(=O)NCCOc1cccc(F)c1 27712305 YJYMHPPZAYHKPM-UHFFFAOYSA-N 305.374 3.356 0 40 DGAB CN(C1CCCC1)S(=O)(=O)Cc1c(F)cccc1Cl 20482120 OKYYFFDXVDNHNK-UHFFFAOYSA-N 305.802 3.183 0 40 DGAB O=C1N[C@@H](c2ccc(OC[C@H]3CCCO3)cc2)Nc2ccccc21 10950907 WGJORPPSGABNPC-QAPCUYQASA-N 324.380 3.099 0 40 DGAB CC(C)[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12755433 WFWQMOJQVPAYNV-GFCCVEGCSA-N 315.392 3.274 0 40 DGAB CC(C)c1ccc(C(=O)COC(=O)[C@H](O)c2ccccc2)cc1 3503895 PLWAGUZRQYWOOP-GOSISDBHSA-N 312.365 3.270 0 40 DGAB Cc1ccccc1OCCCNC(=O)[C@H]1C[C@H]1c1cccnc1 69809524 FUDMJFKTBQMGPI-IRXDYDNUSA-N 310.397 3.079 0 40 DGAB CCc1nnc(NC(=O)Cn2c(C)cc3ccccc32)s1 8780542 JASPPWGBQMLPND-UHFFFAOYSA-N 300.387 3.002 0 40 DGAB CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccc[nH]1 60635261 XAANJSFLWWQWHN-UHFFFAOYSA-N 322.412 3.120 0 40 DGAB Cc1ccc([C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2)cc1C 64647658 OWDVFZMIYYFAAG-KRWDZBQOSA-N 323.396 3.001 0 40 DGAB CN(C)CCCNC(=O)C[C@@H](c1ccc(F)cc1)c1ccco1 4296027 HNGJMMBFDRTFFP-INIZCTEOSA-N 318.392 3.009 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)c1cc2cc(Cl)ccc2n1C)C(=O)O 5324593 AQKHKSFQWRDSEV-OTYXRUKQSA-N 322.792 3.061 0 40 DGAB CS(=O)(=O)Cc1cccc(C(=O)Nc2ccc(Cl)cc2)c1 14170205 HILNNIDSNLYZRB-UHFFFAOYSA-N 323.801 3.137 0 40 DGAB CC(=O)c1cc(F)ccc1OCC(=O)NCc1ccc(C)cc1 14157321 HDSKTGRSOZBRGP-UHFFFAOYSA-N 315.344 3.032 0 40 DGAB COCCc1nc(C)c([C@@H](C)N[C@@H]2CCCSC2)s1 92766495 SAVDODUXVKAUEW-ZYHUDNBSSA-N 300.493 3.187 0 40 DGAB CSc1nnc(SC[C@@H](O)c2ccc(F)cc2)s1 66347692 VZTHNWVENCLBNP-SECBINFHSA-N 302.421 3.225 0 40 DGAB COc1ccc(CNC(=O)c2cnn(-c3ccccc3)c2C)cc1 9050348 KSENGKIFKWXREJ-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB O=C(N[C@@H]1CCSc2ccc(Cl)cc21)c1cnccn1 9051426 HVOSWYKLWPMQKQ-LLVKDONJSA-N 305.790 3.097 0 40 DGAB CC(C)(C)c1cnnn1-c1ccc(NC(=O)c2ccco2)cc1 27755153 BMGOMLHAHISMIL-UHFFFAOYSA-N 310.357 3.410 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(F)cc2N)CC1 67800759 GSKVHCOENZJJFV-UHFFFAOYSA-N 310.369 3.186 0 40 DGAB O=C(OCCC12CC3CC(CC(C3)C1)C2)c1cc[n+]([O-])cc1 7785183 RHZXNTOSCCIPQX-UHFFFAOYSA-N 301.386 3.083 0 40 DGAB COc1cc2cc(C(=O)c3ccccc3O)cnc2cc1OC 7719339 HCXVLMIOXOSMHW-UHFFFAOYSA-N 309.321 3.189 0 40 DGAB O=C(NC1CC1)[C@@H](c1ccccc1)N1CCCc2ccccc21 7904550 MMLQMKGUYWAADN-LJQANCHMSA-N 306.409 3.459 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2NC1=O 8014370 IPLHPGITIIMNPM-LLVKDONJSA-N 322.364 3.147 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2CN2CCCC2)c(C)o1 8191513 OTWXAWWHACLYME-UHFFFAOYSA-N 312.413 3.422 0 40 DGAB C[C@@H](C(=O)N[C@H](C)Cc1ccc2ccccc2c1)n1ccnc1 69462214 LCHWBZGJJZEJAN-CABCVRRESA-N 307.397 3.345 0 40 DGAB CCCNC(=O)CCCC(=O)NC(C)(C)c1cccc(C)c1 96412733 IGRVHHPDONUHDK-UHFFFAOYSA-N 304.434 3.043 0 40 DGAB Cc1cc(C)cc([C@H](C)NC(=O)NCc2c(C)noc2C)c1 71885941 RTNAPPJBXGGKSE-LBPRGKRZSA-N 301.390 3.469 0 40 DGAB COC(=O)[C@H](N[C@H](C)c1cc2ccccc2o1)c1cccnc1 97111339 BAXGUVMMOXFJHE-SJKOYZFVSA-N 310.353 3.393 0 40 DGAB CC(C)Oc1ncccc1CNCc1c[nH]nc1C(C)(C)C 71819602 CMCHJZRZKDZVFQ-UHFFFAOYSA-N 302.422 3.179 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2ccc(Cl)o2)c1 71865815 RERGALQFSXMIPK-LBPRGKRZSA-N 307.781 3.133 0 40 DGAB C[C@H](CN(C)C(=O)c1cc(F)cc2[nH]cnc12)c1nccs1 97108139 MIBAACOQVYDMPG-SECBINFHSA-N 318.377 3.034 0 40 DGAB CCc1nc([C@H](C)NC(=O)Nc2ccc3[nH]ncc3c2)cs1 71908419 DDIBNDJAKSLPSR-VIFPVBQESA-N 315.402 3.465 0 40 DGAB COc1cccc(C(=O)O[C@@H](c2ccccc2)c2ccccn2)n1 83939815 WGIPGSJJBCHWGA-SFHVURJKSA-N 320.348 3.432 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)N1CCCC[C@H]1c1cn[nH]c1 97234453 BLJQFKPTUVGTGJ-HZMBPMFUSA-N 317.393 3.012 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)c3cccs3)C2)n[nH]1 84110132 FZDYMHLZEMKYDX-CHWSQXEVSA-N 303.431 3.289 0 40 DGAB CCc1nc([C@H](C)NC(=O)Nc2nc(C)ccc2OC)cs1 97378666 BSDLPDZVKUXIAU-JTQLQIEISA-N 320.418 3.300 0 40 DGAB c1ccc2[nH]c([C@H]3CCCN(c4nc(C5CC5)no4)C3)nc2c1 95399058 IFVBNCHFOPMVDL-LBPRGKRZSA-N 309.373 3.207 0 40 DGAB Cc1ccc(/C=C/CC(=O)Nc2ccc3c(c2)NC(=O)CO3)cc1 84737821 MASMSLCHQLGPOV-NSCUHMNNSA-N 322.364 3.368 0 40 DGAB FC(F)(F)COc1ccc(CNCc2cncs2)cc1 95425747 ODNOYACSSKKQIO-UHFFFAOYSA-N 302.321 3.374 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Sc2nc(C3CC3)n[nH]2)CC1 95450381 JMWXKGUJXPRFBP-UHFFFAOYSA-N 324.450 3.174 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3ccnc(F)c3)co2)cc1 73302749 IZBMISTUBMGEHU-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB O=C(CNC1(c2nccs2)CCCC1)N1CCCCCCC1 89885324 FBKQUDXETGWMLM-UHFFFAOYSA-N 321.490 3.295 0 40 DGAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(C)C2=O)cc1Cl 409189856 UIPJQJGPFFUHKT-KWINOFQJSA-N 308.765 3.040 0 40 DGAB O=c1[nH]c2ccccc2n1CCCSc1ccc(O)cc1 38078831 YUFLUVFONYJJFV-UHFFFAOYSA-N 300.383 3.218 0 40 DGAB O=C(NCCc1ccc(F)cc1)c1cc(-c2ccccc2)no1 32913613 UGDJMNGUNRSXGN-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1cc(Cl)ccc1Cl)C1CC1 79420427 WBYIYHKVNXGGFI-AWEZNQCLSA-N 315.244 3.468 0 40 DGAB O=C1/C(=C/C=C/c2ccco2)NC(=S)N1C1CCCCC1 210219429 ISNDCIIWUHLLAG-NDUUIVGLSA-N 302.399 3.226 0 40 DGAB Cc1ncn(-c2cc(Br)cc(C(F)(F)F)c2)n1 2362803590 NNTYAAQILWEMCA-UHFFFAOYSA-N 306.085 3.357 0 40 DGAB c1ccc(Nc2nc([C@H]3CCCN3c3cnccn3)cs2)nc1 72384704 NJFQVWALAPYYEJ-CYBMUJFWSA-N 324.413 3.413 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cn1 225584842 POYXCCVPBFAWPK-OAHLLOKOSA-N 320.506 3.331 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](CNCc2ccccc2F)C1 89223582 WDQTURHNFSRHHP-ZDUSSCGKSA-N 308.397 3.172 0 40 DGAB CCOC(=O)C(C)(C)c1csc(NCCc2ccccn2)n1 225570602 VVIPUFUHPCQYIE-UHFFFAOYSA-N 319.430 3.033 0 40 DGAB CC1CCC(C)(CNC(=O)N2CC[C@@H](n3cccn3)C2)CC1 571582525 XBLHRPHUCFTJKX-ISXOHVOVSA-N 304.438 3.056 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1C 222601102 XZLCIGDEYJODPA-APHBMKBZSA-N 312.442 3.318 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 225039495 UPOYVRKAGGSLMG-BETUJISGSA-N 324.852 3.056 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NCC(C)C 224173665 KNFJAZAULAMXRR-INIZCTEOSA-N 318.461 3.284 0 40 DGAB O=[S@@](Cc1ccc(-n2cccn2)cc1)c1ccccc1F 195562646 BMIJIYUKOIUAKY-NRFANRHFSA-N 300.358 3.319 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CC 223141471 IIEPXQJGGNGVIC-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB COc1ccc(CCNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2)c(Cl)c1 330514039 DHXKTMWGTLDVPJ-WCQYABFASA-N 323.820 3.013 0 40 DGAB O=C(c1ccccc1)N1CC[C@H]2C[C@H](c3nccs3)O[C@@H]2C1 96070600 KUDCXWHEIARSSB-RRFJBIMHSA-N 314.410 3.135 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2c(C)noc2C)C1 95411204 ZWPNMBNDVAKAHQ-STQMWFEESA-N 311.451 3.107 0 40 DGAB Cc1cccc(N(C)C(=O)Cc2cc(-c3ccccc3)on2)n1 96425189 UIJYCVWMEPHGPX-UHFFFAOYSA-N 307.353 3.251 0 40 DGAB CCNc1ncc(C(=O)N[C@@H](CC)c2ncc(C)s2)s1 95429501 LQFQMQURMKPLPY-VIFPVBQESA-N 310.448 3.221 0 40 DGAB CC(=O)c1ccc(F)cc1NCc1cccc(C(=O)N(C)C)c1 97371483 BXOKAZUSNRGGMF-UHFFFAOYSA-N 314.360 3.342 0 40 DGAB C[C@@H](NC(=O)NCCc1cc2ccccc2o1)c1nccs1 96417734 HZIHEOBUDXTEDU-LLVKDONJSA-N 315.398 3.492 0 40 DGAB Cn1c(CCCNC(=O)Nc2ccccc2)nc2ccccc21 96453051 ROBXXVOTMAIBGY-UHFFFAOYSA-N 308.385 3.328 0 40 DGAB C[C@H](NC(=O)N1CC[C@@H]2Cc3ncccc3[C@@H]21)c1ccccc1 96194154 YDFQLOVWWOJZIC-JCKWVBRZSA-N 307.397 3.472 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2ccccc2)CC1 98213852 LORMILRHMRNVMP-UHFFFAOYSA-N 304.434 3.205 0 40 DGAB CCN(Cc1nccn1C(F)F)C[C@H](O)c1ccc(C)cc1 96441670 WWPYVWOYEBUFMY-AWEZNQCLSA-N 309.360 3.142 0 40 DGAB Cc1nn(C)c2nc3c(c(C(=O)O)c12)CC/C3=C\c1ccccc1 248053270 XWIIKEZNQVUYPZ-JLHYYAGUSA-N 319.364 3.462 0 40 DGAB Cc1cc(C)nc([C@]2(C)CCCN2C(=O)Cc2ccccc2)n1 257325848 WUSAKYYADHONMA-IBGZPJMESA-N 309.413 3.174 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3ccncn3)C2)c1 257223397 DXDZXGYWABNHIO-QGZVFWFLSA-N 322.456 3.456 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)CCc2ccc(F)cc2)C1 257203079 AOOYOLZCGCXPDC-HNNXBMFYSA-N 315.392 3.196 0 40 DGAB COc1ccc(SCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 260529557 KEMKNYHUDSMERR-OBJOEFQTSA-N 321.442 3.101 0 40 DGAB CO[C@](C)(CNC(=O)Cc1ccsc1)c1ccccc1F 96123543 BYHRYBXLNHPTLR-MRXNPFEDSA-N 307.390 3.108 0 40 DGAB Cc1ccc(OCC2(O)CCN(C3CCCC3)CC2)c(C)c1 585281664 OJCWPHIBLPGAGP-UHFFFAOYSA-N 303.446 3.452 0 40 DGAB Cc1cc(Cl)ccc1OC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1 12170384 CGTWDODYBVWANC-XJKCOSOUSA-N 311.853 3.366 0 40 DGAB CN(CCNC(=O)c1ccc2c(c1)CCCC2)c1ccccc1 12612580 QUBCUICVHHBZBV-UHFFFAOYSA-N 308.425 3.432 0 40 DGAB CCCc1cc(OC(=O)C(C)C)n(-c2nc3ccccc3[nH]2)n1 13639569 IWPFMJJLDGEKFA-UHFFFAOYSA-N 312.373 3.263 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 14009110 XLSPTYXQEPIRJY-OUKQBFOZSA-N 308.381 3.477 0 40 DGAB Cn1cc(/C=C/C(=O)N[C@@H](c2ccccc2)c2cccs2)cn1 25775291 CIZSVTHSSLWAAQ-BBVFFXRHSA-N 323.421 3.401 0 40 DGAB O=C1CCC2(CCN(CC3CCCCC3)CC2)N1CC1CC1 1201390843 ZWUWWZKVJHONKH-UHFFFAOYSA-N 304.478 3.434 0 40 DGAB COc1cc(/C=C/c2nc3ccccc3[nH]c2=O)cc(OC)c1 7131241 VCXQQYKXSMWKPY-BQYQJAHWSA-N 308.337 3.111 0 40 DGAB COc1cc(Nc2cc(C)nc(C3CC3)n2)cc(OC)c1OC 264674617 VKMPWUUQQWPHTM-UHFFFAOYSA-N 315.373 3.432 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)c3ccccc3OC)C2)cc1 38935501 RICJKEZXHVQCKD-HNNXBMFYSA-N 311.381 3.334 0 40 DGAB C[C@@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19462797 PQNMHZOAYOOFFR-IUODEOHRSA-N 309.413 3.179 0 40 DGAB C[C@@H](c1ccccc1)n1ccc(NC(=O)Cc2ccccc2O)n1 96471251 PWFGOZJOKWAVGS-AWEZNQCLSA-N 321.380 3.379 0 40 DGAB CN(Cc1nc2ccccc2n1C(F)F)C[C@H]1CCCCO1 50075113 GQUWWLRBOBRDRT-GFCCVEGCSA-N 309.360 3.432 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Cc3cccc(C)c3)C2=O)cc1 100538965 YBYCTZRTAMKPDH-HNNXBMFYSA-N 309.365 3.126 0 40 DGAB CCOC(=O)c1c(SCC)[nH]c2cc(F)c(F)cc2c1=O 21298159 YKHPMXCEZRZUGN-UHFFFAOYSA-N 313.325 3.095 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)cc1 144472 LVTJEOZORQRCOE-CABCVRRESA-N 305.374 3.303 0 40 DGAB CCCC1=NN(C(=O)c2cccc(C)c2)[C@](O)(C(F)(F)F)C1 274569 NCXXRAUGPAOCGS-CQSZACIVSA-N 314.307 3.248 0 40 DGAB C[C@H](C(=O)O)[C@H](NC(=O)c1ccccc1F)c1ccccc1 97018287 QDAHNAWFDDRWQF-NHYWBVRUSA-N 301.317 3.018 0 40 DGAB Cc1nc(Sc2ccc(C=O)cc2[N+](=O)[O-])nc2c1CCC2 581218 HRWBENVVAWVUHV-UHFFFAOYSA-N 315.354 3.146 0 40 DGAB COC(=O)[C@]1(Cc2ccccc2C)Cc2ccc(C)cc2C1=O 1646119 ZRLPEMCRPOVDCG-HXUWFJFHSA-N 308.377 3.444 0 40 DGAB C[S@@](=O)Cc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32879595 ZHOFCVQSCKIQLI-QHCPKHFHSA-N 324.405 3.366 0 40 DGAB CC(C)N(C(=O)[C@H](C)OC(=O)c1cc2ccccc2[nH]1)C(C)C 21605180 WYNXTLJXZRPZFP-ZDUSSCGKSA-N 316.401 3.359 0 40 DGAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(Cl)cc1F 6700323 UGIGBWPOWLIVDC-BCWBERDBSA-N 311.740 3.165 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)COC(=O)C2CCCC2)cc1 7122572 QSGWUBXVNANMLS-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB O=C(COc1ccc(Cl)c2cccnc12)NC1CCCC1 7612379 SBKUMHGWNLLPGV-UHFFFAOYSA-N 304.777 3.326 0 40 DGAB CN(Cc1ccccc1N1CCCC1)Cc1nnsc1Cl 52917120 BRPICTWFNQQCTI-UHFFFAOYSA-N 322.865 3.424 0 40 DGAB O=C(Nc1cccc(-n2cnnc2)c1)c1ccc(Cl)cc1F 33201186 MPGNZHYWTBEHOM-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccsc1 8496672 NLVLHRQDZJPHSS-UHFFFAOYSA-N 318.427 3.421 0 40 DGAB Cc1ccccc1Cn1nnc2sc3c(c2c1=O)CCCC3 958854 POGXLXKQHNRPLP-UHFFFAOYSA-N 311.410 3.089 0 40 DGAB O=C(CCc1ccccc1O)NCCc1cccc(Cl)c1 23612949 DUBYBCQELIRVHI-UHFFFAOYSA-N 303.789 3.337 0 40 DGAB Cc1noc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)c12 12396172 AHTPLTMUFRRYED-UHFFFAOYSA-N 320.251 3.498 0 40 DGAB CN(C)C(=O)Nc1ccc(-c2nnc(-c3ccccc3)o2)cc1 59475064 FBCNJDCBVKOCGY-UHFFFAOYSA-N 308.341 3.497 0 40 DGAB CC1=C[C@@H](C)[C@H]([C@@H]2NC(N)=Nc3nc4ccccc4n32)[C@@H](C)C1 53944172 MPVKDSOURSACLP-GUYJKWIASA-N 309.417 3.323 0 40 DGAB CC[C@H]1CCCCN1CCNC(=O)N(C)[C@H](C)c1ccccn1 106853085 GMUXCGUQLIDVPV-CVEARBPZSA-N 318.465 3.049 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)C=C2CCCCC2)cn1 56114706 SPGWORLJHGJMAH-UHFFFAOYSA-N 310.401 3.082 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCCCn2nc(C)cc2C)C1(C)C 27084581 ANHHANPOLFHIAI-JKSUJKDBSA-N 303.450 3.245 0 40 DGAB Cc1ccccc1OC[C@H]1CCCN(C(=O)c2cccnc2)C1 62555550 VBDSIBQOYIVKJW-INIZCTEOSA-N 310.397 3.321 0 40 DGAB Cc1cc2cc(NC(=O)c3ccc(-n4ccnc4)nc3)ccc2[nH]1 58184087 JCWSWPXUEIENFZ-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB Cc1nc(C(=O)N(C)CC2CC2)nn1-c1ccccc1C(C)C 58357351 KUWXASDSRKDLDP-UHFFFAOYSA-N 312.417 3.181 0 40 DGAB CC(C)(C)c1cc(C[C@@H]2C[C@H](NC(=O)C3CC3)C2(C)C)no1 67889807 SUVGNKVVCXLAMG-OCCSQVGLSA-N 304.434 3.456 0 40 DGAB biogenic,in-vitro CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)cc1 3336866 HAHWFNCFYDFEAM-NOZJJQNGSA-N 315.398 3.363 0 40 DGAB Cn1nnnc1SCc1csc(-c2ccc(Cl)cc2)n1 3342102 HJLWCBXFXRFWQP-UHFFFAOYSA-N 323.834 3.279 0 40 DGAB O=C(CCCC1CCCCC1)Nc1ccc(-n2cnnn2)cc1 36759059 GNVPNXOMXDKPLB-UHFFFAOYSA-N 313.405 3.351 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(Cl)cc1 12892304 AFALDKOFHYPJJB-UHFFFAOYSA-N 306.749 3.082 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCCc3occc32)cc1C 12982821 GBIAPMZTUOSAJU-HNNXBMFYSA-N 305.399 3.252 0 40 DGAB C[C@H]1CCCN(C(C)(C)CNC(=O)[C@]2(C)CC2(Cl)Cl)C1 48920266 FRYBGUVTZHPSRZ-FZMZJTMJSA-N 321.292 3.197 0 40 DGAB CCCCS(=O)(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28221151 UUFJCESMBWCLNV-CQSZACIVSA-N 306.431 3.258 0 40 DGAB CN(C)CCCNC(=O)c1cc2c3ccccc3n(C)c2s1 4036633 CTEWFSJFJOWRPL-UHFFFAOYSA-N 315.442 3.075 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1cc(C)c(C)o1)[C@H]2C 4041725 BQBXDBKUCMVAKZ-NSHDSACASA-N 315.369 3.370 0 40 DGAB biogenic O=C1N/C(=C/c2cccs2)C(=O)N1c1cccc(Cl)c1 409075797 UIXZDYHVCQOAJF-XYOKQWHBSA-N 304.758 3.499 0 40 DGAB Cc1cnc(CN(CCCO)[C@H]2CCCc3ccccc32)cn1 84258389 NYLAKSMLXHCUEI-IBGZPJMESA-N 311.429 3.047 0 40 DGAB O=C(N[C@H]1CCCOc2ccc(F)cc21)N1CCCSCC1 65547223 UQECHRFLDJBXJL-AWEZNQCLSA-N 324.421 3.188 0 40 DGAB Cc1cc(C(=O)OCc2ccc(C(N)=O)cc2)c(C)n1C(C)C 14198496 QRMHQBKEJSQKDY-UHFFFAOYSA-N 314.385 3.142 0 40 DGAB Cc1cc2cc(NC(=O)c3ccc4nnc(C)n4c3)ccc2[nH]1 65608309 DODYODRNZWLJMV-UHFFFAOYSA-N 305.341 3.080 0 40 DGAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(C)cc1 5451430 IIYMZTMHYMGALX-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB Cn1c2ccccc2c2ncnc(NCCN3CCCCC3)c21 5516474 JIPVYFZESIVLRT-UHFFFAOYSA-N 309.417 3.019 0 40 DGAB Cc1ccc(C(=O)Cn2nc(-c3cccs3)ccc2=O)cc1 4986576 OUIXGMBDFMQTHW-UHFFFAOYSA-N 310.378 3.163 0 40 DGAB COc1cccc2c1OCC(=O)N(Cc1ccc(Cl)cc1)C2 67323855 ZAQSBHVRWKCYLD-UHFFFAOYSA-N 317.772 3.270 0 40 DGAB CN(CC1CCC1)C(=O)c1cccc(-c2noc(C3CC3)n2)c1 80206569 NLYGSMHTEHQNKA-UHFFFAOYSA-N 311.385 3.486 0 40 DGAB O=C(NCCCn1cnc2ccccc21)Nc1ccc(F)cc1 9115394 WTMRUMUQKSYTIH-UHFFFAOYSA-N 312.348 3.387 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Oc1ccc2ccccc2c1 16092089 MUXFWBWLNVZEBY-UHFFFAOYSA-N 303.339 3.212 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nc(-c2cccnc2)cs1 7778891 OIWTUWYXUHAZEG-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB c1ccc(-c2cc(CN3CCc4c(ncn4C4CC4)C3)on2)cc1 69484915 WONIQULTCLQXCG-UHFFFAOYSA-N 320.396 3.431 0 40 DGAB Cc1cccc(-c2[nH]ncc2CN[C@H](C)Cn2cc(C)cn2)c1 69490051 CWXVUDGUJUZMMZ-OAHLLOKOSA-N 309.417 3.068 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)c1cnn(C)c1 69485017 YBHQXCMATKBUIB-UHFFFAOYSA-N 311.357 3.007 0 40 DGAB COc1ccccc1[C@H]1SCC(=O)N1c1ncc(C)s1 17198023 URCPIAFXPQVREH-CYBMUJFWSA-N 306.412 3.239 0 40 DGAB Clc1ccccc1[C@@H]1CN(CCc2ccncc2)CCO1 69594404 RSJNMWCUXLUTJD-KRWDZBQOSA-N 302.805 3.351 0 40 DGAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1ccncc1 69539049 HSPQGQWHESVPQG-UHFFFAOYSA-N 305.337 3.199 0 40 DGAB Cc1ccc(NC(=O)c2sc3[nH]c(C)cc(=O)c3c2N)cc1 9420318 XXQGDIDUILEKKT-UHFFFAOYSA-N 313.382 3.041 0 40 DGAB Cc1occc1C(=O)N1CCCN(C)c2nc3ccccc3nc21 17364804 YAMDTALARFQEBP-UHFFFAOYSA-N 322.368 3.018 0 40 DGAB O=C(NC[C@@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 69657900 RYOKXTVOKKQAFI-SFHVURJKSA-N 314.473 3.248 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)[C@H]3C[C@H]3c3ccccc3)ccc21 71847646 HCPZALIEDJOJLQ-IRXDYDNUSA-N 320.392 3.338 0 40 DGAB CCOC1CCN(C(=O)c2c(Cl)c3ccccc3n2C)CC1 71821451 MPWIUSJHMGSYNK-UHFFFAOYSA-N 320.820 3.473 0 40 DGAB C[C@@H](c1nc(-c2cccnc2)no1)N1CCOc2ccccc2C1 71904287 MDPXYHQRPPISDJ-ZDUSSCGKSA-N 322.368 3.087 0 40 DGAB Fc1ccc2c(c1)[C@@H](NC[C@@H]1CCN(CC(F)(F)F)C1)CC2 95420503 MCUDZEFXZRTGBE-NHYWBVRUSA-N 316.342 3.287 0 40 DGAB CCOc1ccccc1[C@@H](CC(C)C)NC(=O)C1CCNCC1 95971168 PYBAOTIJSHECTA-QGZVFWFLSA-N 318.461 3.288 0 40 DGAB Cc1cnc([C@H](N[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 95968579 NJTXZEDNFPRIPT-VXGBXAGGSA-N 319.396 3.129 0 40 DGAB CCc1cc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)on1 86403468 YJVYSQCPMDGIPT-NSHDSACASA-N 303.362 3.265 0 40 DGAB COc1ccc(C(=O)N(C)Cc2ccccc2OC)cc1F 126112975 KIBVGYIJXAKNRF-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB CCOC(=O)COc1ccc(/C=C2\C(=O)Nc3ccccc32)cc1 409115419 RORHQGUELORNPB-WJDWOHSUSA-N 323.348 3.121 0 40 DGAB CC(C)(C)NC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 36559376 OFNYRBOMSBMCFF-UHFFFAOYSA-N 322.364 3.016 0 40 DGAB Cc1cc2cc(NS(=O)(=O)c3ccccc3F)ccc2[nH]1 31721947 OCDVKTBQJXYQOW-UHFFFAOYSA-N 304.346 3.416 0 40 DGAB CC(C)=CC(=O)O[C@H](C)C(=O)N[C@H](C)CCc1ccccc1 32910000 MAYSGQHVEAJCNK-HUUCEWRRSA-N 303.402 3.022 0 40 DGAB CC(C)Cn1ncc(C(=O)OCc2ccccn2)c1C(F)F 120548654 ZQQNRHOWYVSCOX-UHFFFAOYSA-N 309.316 3.229 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)c1C 36635703 LJUPUSFIKOESBX-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB CN(Cc1cccc(C(N)=O)c1)C(=O)CC/C=C/c1ccccc1 78082940 WDMANIOUBUDRPJ-BJMVGYQFSA-N 322.408 3.238 0 40 DGAB CC(=O)Nc1ccc(CCNCc2ccc(F)c(F)c2)cc1 78411702 MZYSVVVQCWOTMR-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB CCCCC[C@@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 32824531 ZPIOAIYNMRSDRU-CYBMUJFWSA-N 316.405 3.149 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)C2(c3ccc(Cl)cc3)CC2)o1 78989079 LOCVEEIBILDTMT-SECBINFHSA-N 306.749 3.367 0 40 DGAB CCOc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1C 223336797 KJSAEGSDBIANAK-UHFFFAOYSA-N 318.461 3.246 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccccc1Cl 224297930 MJKHXJQRJPHEHF-UHFFFAOYSA-N 319.796 3.457 0 40 DGAB CCn1c(Cl)nc2cc(C(=O)NCc3cccnc3)ccc21 222541799 COYPJXBPWFGQNH-UHFFFAOYSA-N 314.776 3.035 0 40 DGAB O=S(=O)(Cc1ccccc1)N1CCC(c2ccsc2)CC1 75157154 FIFOPCDKWKOYLT-UHFFFAOYSA-N 321.467 3.458 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@@H](C)CC 223081276 CINNGCPKEZWWNM-QWHCGFSZSA-N 324.852 3.382 0 40 DGAB CC(C)n1cc(NC(=O)c2cccc(Br)c2)cn1 61683848 RJULBUKKBVDNBH-UHFFFAOYSA-N 308.179 3.479 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(F)c(Cl)c1 42645831 KBHIAJMUMDUUDQ-RNCFNFMXSA-N 312.772 3.113 0 40 DGAB C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCN)C1CC1 195542306 IIDHKSGIAUAXGU-JTQLQIEISA-N 300.324 3.106 0 40 DGAB COc1cccc(C(=O)N(Cc2ccco2)C2CCOCC2)c1 96097090 TYCBPDXRUBOAAA-UHFFFAOYSA-N 315.369 3.110 0 40 DGAB Cc1noc(Cl)c1CC(=O)NCC1(c2cccc(F)c2)CC1 96417122 SAFMDVLIJPRBGY-UHFFFAOYSA-N 322.767 3.166 0 40 DGAB O=C1CC[C@@H](C(=O)N2CCCC[C@H]2c2ccco2)n2cccc21 578292452 WBCSTFHBJNUCEH-GJZGRUSLSA-N 312.369 3.353 0 40 DGAB COc1ccccc1C[C@@H](C)NC[C@@](C)(O)c1ccsc1 95423041 PKBGAXJQRDDWDW-CXAGYDPISA-N 305.443 3.185 0 40 DGAB COCCCOc1cccc(CNc2ncc(Cl)cn2)c1 95433693 JPAUCDAFVNRZEX-UHFFFAOYSA-N 307.781 3.157 0 40 DGAB CC[C@@H]1CN(C(=O)Nc2cnn(C)c2)CC[C@@H]1c1ccccc1 96445881 UNUYULGPLPTGGL-PBHICJAKSA-N 312.417 3.468 0 40 DGAB Cc1ccc2c(c1)O[C@H](C)CN2C(=O)CCc1cscn1 96450799 LHYSEHNNFWVBTG-GFCCVEGCSA-N 302.399 3.198 0 40 DGAB CC(C)c1cc(C(=O)NCc2ccccc2)nc(N2CCCC2)n1 96101274 CBUQHRAKDJWCSZ-UHFFFAOYSA-N 324.428 3.130 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccccc3F)C2)n1 257331660 XTSOTYDTGPCYDZ-HNNXBMFYSA-N 315.392 3.196 0 40 DGAB O[C@H](C1CCN(Cc2ccc3ncccc3c2)CC1)C(F)(F)F 538750266 NJPZRBHEJYBSID-MRXNPFEDSA-N 324.346 3.370 0 40 DGAB COc1cccc(C[C@@H](C)NCc2ccc([S@@](C)=O)cc2)c1 85323764 GVRYQWPBLPZBOW-PEBXRYMYSA-N 317.454 3.153 0 40 DGAB CN(C)C(=O)CN[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95984994 IMWBGFPIFATMSG-LLVKDONJSA-N 308.731 3.011 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 5690697 RQORQUYTLOURSF-UHFFFAOYSA-N 321.336 3.116 0 40 DGAB Cc1nc(O)c2nsc(C(=O)Nc3ccc(Cl)cc3)c2n1 13564088 FIPBIXHDXHRCHI-UHFFFAOYSA-N 320.761 3.006 0 40 DGAB CC(C)=CC(=O)N1CC[C@H](Oc2cc(C(F)(F)F)ccn2)C1 225733188 YYGRMJMMOSFPJS-LBPRGKRZSA-N 314.307 3.046 0 40 DGAB COc1cc(NC(=O)C2CCCCC2)cc2sc(NN)nc12 226312620 VXJQPIQLOQULIP-UHFFFAOYSA-N 320.418 3.109 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(OCC)cc2N)cc1 226349568 WDXMOWDEQWPMFD-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB C[C@@H](Sc1nnc2ccccn12)C(=O)c1ccc(F)c(F)c1 3348192 ITBHMNOGTSLNEO-SECBINFHSA-N 319.336 3.371 0 40 DGAB O=C(Nc1cccc2ncccc12)c1ncnc2c1CCCC2 1888890349 QJGFLNHDAMMLHF-UHFFFAOYSA-N 304.353 3.156 0 40 DGAB O=C(NCc1cccs1)c1cccnc1OCC(F)(F)F 24561677 PMOZLOHICRKZEG-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 25375105 IHLOAGYWSPWYPD-NWDGAFQWSA-N 321.364 3.394 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2sc(C)c(C)c2C(N)=O)c1 5144898 GXEACMCNADBZLF-UHFFFAOYSA-N 302.399 3.333 0 40 DGAB O=C(Nc1ccc2ncsc2c1)[C@H]1COc2ccccc2O1 10217305 ZXNKERIXUGDPOE-CQSZACIVSA-N 312.350 3.075 0 40 DGAB COC(=O)c1ccc(C(=O)N(Cc2ccc(C)o2)C(C)C)cc1 40151003 XQUWYDSPNQUFBP-UHFFFAOYSA-N 315.369 3.425 0 40 DGAB CCn1c(SCC(=O)Nc2ccccc2C)nnc1C1CC1 410404 LFHZQXMKIMLSGB-UHFFFAOYSA-N 316.430 3.215 0 40 DGAB CCN(C(=O)c1ccc(Cn2cncn2)cc1)c1ccccc1C 32753820 GCJBHKBQSOUCMQ-UHFFFAOYSA-N 320.396 3.302 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCSc1nnc(N)s1 2619015 ADLYWCPWBZULCN-UHFFFAOYSA-N 322.459 3.248 0 40 DGAB CCCCNCc1cc(=O)n2c(-c3ccccc3)csc2n1 8343464 IVTLTXOHIRRRQT-UHFFFAOYSA-N 313.426 3.313 0 40 DGAB CCOc1cc2c(cc1CNCc1cccc(O)c1)O[C@H](C)C2 32740427 JTBIPSPFRKJBOE-CYBMUJFWSA-N 313.397 3.404 0 40 DGAB Cc1c2sc(-c3ccccc3)c(O)[n+]2c2ccccc2[n+]1C 3078710 DOMPNHURFCIGKV-UHFFFAOYSA-O 308.406 3.146 0 40 DGAB C[C@H]1c2ccsc2CCN1Cn1c(=O)oc2ccccc21 52583887 LNKYQTGRSOXXMT-NSHDSACASA-N 300.383 3.233 0 40 DGAB COc1ccc(-n2ncc3c(NC4CCCC4)ncnc32)cc1 536227 ILRGFUUSQBWGRX-UHFFFAOYSA-N 309.373 3.179 0 40 DGAB CCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 565266 YHTJGAUUXSHCDA-IBGZPJMESA-N 306.365 3.079 0 40 DGAB biogenic O=C(c1csc(-c2ccccc2)n1)N1CCO[C@H]2CCC[C@@H]21 53377187 PURPTUATZHXJNA-GJZGRUSLSA-N 314.410 3.204 0 40 DGAB COCCOCc1cccc(NC(=O)NCc2ccccc2)c1 47589902 PMMDVBTZBGUTBU-UHFFFAOYSA-N 314.385 3.171 0 40 DGAB CC(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1 42181418 KOCMAZVFAGSKGW-UHFFFAOYSA-N 306.369 3.073 0 40 DGAB Cc1ccc(NC(=O)C(=O)c2c(C)nc3scc(C)n23)cc1 12591721 QUWAFGWYSCZGDJ-UHFFFAOYSA-N 313.382 3.142 0 40 DGAB COc1ccc(O)c(C(=O)NCCc2ccc(Cl)cc2)c1 12582936 ZFLBMNIGAUKUBD-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB COc1ccc(CCC(=O)Nc2nc(C(C)=O)cs2)cc1F 41907359 AWFBCYDYBNXAGF-UHFFFAOYSA-N 322.361 3.065 0 40 DGAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)C[C@H](C)C1)c1ccc(C)cc1 25377443 GSDDTWPRKZHYRY-RLFYNMQTSA-N 316.445 3.067 0 40 DGAB NCCCSc1nnc(-c2cccs2)n1-c1ccccc1 12606453 QDTGTQQUJFRWGI-UHFFFAOYSA-N 316.455 3.437 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(OC)c2)C1=O 101275690 RFPXUINNURTMJZ-MRXNPFEDSA-N 324.380 3.002 0 40 DGAB O=C(Nc1ccccc1)N1C[C@@H]2[C@@H](C1)CN2Cc1ccccc1 107798568 NCQOZIOIVVPREH-SJLPKXTDSA-N 307.397 3.035 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2c2ccncc2)[nH]c2c1C(=O)CCC2 27277943 FWPVHHZBJWNXKS-HNNXBMFYSA-N 323.396 3.214 0 40 DGAB O=C1CCc2cc(OCc3cc(-c4ccco4)on3)ccc2N1 58172788 JHAYPDHRQVGUOD-UHFFFAOYSA-N 310.309 3.398 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(OC)c(F)c1)c1ccccc1 20488748 YLYZDADUGMIYSX-HNNXBMFYSA-N 323.389 3.264 0 40 DGAB CCNC(=O)[C@H](C)Sc1nc(C2CC2)nc2ccccc12 10948106 HJMZEBSTRKZFRM-JTQLQIEISA-N 301.415 3.124 0 40 DGAB C[C@H](O)c1cccc(NC(=O)COc2ccccc2Cl)c1 12864371 JEAUINFMWTWNDL-NSHDSACASA-N 305.761 3.411 0 40 DGAB O=C(Nc1n[nH]c(-c2ccco2)n1)c1cccc(C(F)(F)F)c1 12914743 HTXTXLCKYQOOGU-UHFFFAOYSA-N 322.246 3.336 0 40 DGAB O=C(c1c(F)cccc1Cl)N1CCC[C@H](n2ccnc2)C1 69917609 ZRSUZXJNZFAWKW-NSHDSACASA-N 307.756 3.153 0 40 DGAB O=C(N[C@@H]1CCc2ccc(F)cc21)c1c[nH]c2ccccc2c1=O 69562509 NIYMQNDTJYMAQF-QGZVFWFLSA-N 322.339 3.085 0 40 DGAB COc1cccc(-c2nsc(NC(=O)CC(F)(F)F)n2)c1 69873800 FLCJUSFRVDPWID-UHFFFAOYSA-N 317.292 3.105 0 40 DGAB CN(Cc1ccc(F)cc1)Cn1nc2ccccn2c1=S 8734100 OWUKGMBVMSNLOS-UHFFFAOYSA-N 302.378 3.094 0 40 DGAB CCC[C@H](C)N(C)C(=O)CCN(Cc1ccccc1)C(C)=O 65591449 XOLJRZDIGRGCBV-HNNXBMFYSA-N 304.434 3.072 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(C)cc2O)cc1OC 6508774 BNBNFMUOLXNJSK-UHFFFAOYSA-N 301.342 3.360 0 40 DGAB CC[C@@H](CNC(=O)c1cccc(NC(N)=O)c1)c1ccccc1 15597588 KNOQJGDIOMKDHC-ZDUSSCGKSA-N 311.385 3.101 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccc(C)cc1 7421319 UWYSEOGOFHZVJH-OAHLLOKOSA-N 312.413 3.463 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3ccc(F)cc3F)CC2)c1 16279160 JWTKXXAQUOCUAD-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB Brc1cccc(NCCc2n[nH]c(C3CC3)n2)c1 62719150 DUEKYZWMKLHKHO-UHFFFAOYSA-N 307.195 3.099 0 40 DGAB CCOC(=O)[C@@H](C#N)c1cc(Cl)cc(Br)c1 118249571 HRKHRNRVYYGUBJ-JTQLQIEISA-N 302.555 3.273 0 40 DGAB CCC[C@H]1SCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 72288334 WJTZCSBQMWOHOY-CZUORRHYSA-N 323.458 3.302 0 40 DGAB CC(C)n1cc(NC(=O)N[C@@H](C)[C@@H]2COc3ccccc32)cn1 96484499 ZRUJSGLFQQCVEK-WFASDCNBSA-N 314.389 3.150 0 40 DGAB O=[S@](CCc1ccccc1)Cc1cc(F)cc2c1OCOC2 96404556 IBMYQJLQYWZLTI-QFIPXVFZSA-N 320.385 3.184 0 40 DGAB Cc1cc(NC(=O)c2coc(C3CC3)n2)ncc1Br 97141268 BDGAXAYCKJDVTM-UHFFFAOYSA-N 322.162 3.270 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 71997158 LYQAOGHTBRCNPM-DYVFJYSZSA-N 314.385 3.154 0 40 DGAB COCc1ccccc1C(=O)N(C)[C@H]1CCc2ccccc2C1 71907534 QJZGHIOJWSBWCU-SFHVURJKSA-N 309.409 3.463 0 40 DGAB CC(C)Oc1ncccc1CNCc1ccccc1-n1cccn1 84621959 OQNHRYFCMCLPCK-UHFFFAOYSA-N 322.412 3.344 0 40 DGAB CN(C)C(=O)CCC[S@@](=O)Cc1ccc(Cl)c(Cl)c1 95413672 AFYZAOZONJZRKY-IBGZPJMESA-N 322.257 3.111 0 40 DGAB Cc1cccc2c1[C@@H](C)C[C@H]2NCCc1nnc2ccccn12 95982150 UGUQAWRNSVXFFL-GOEBONIOSA-N 306.413 3.418 0 40 DGAB Cc1cccc(CNC2(C(=O)NCC3CC3)CCCC2)c1C 95943552 PLPXCLXIDVWMIS-UHFFFAOYSA-N 300.446 3.232 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CCCSC2)o1 95944947 WMDMUGFGSIUDAZ-TZMCWYRMSA-N 324.446 3.168 0 40 DGAB O=C(CSCc1cccc(Cl)c1)NCc1cccnc1 20238087 RIEKTKFZPGCOGB-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)NC2CCCCC2)c1 28306017 NRUOSGAIAPQVCJ-LBPRGKRZSA-N 306.406 3.397 0 40 DGAB CN1CCC[C@@H](c2nc3ccc(-c4cccc(F)c4)cn3n2)C1 306134468 NOQSLUIAFGHJRK-OAHLLOKOSA-N 310.376 3.345 0 40 DGAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccccc1Cl 217721084 GTEHIEJWNPLVAE-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1cnc(CCNc2cccc(C[C@@H]3CCCNC3)n2)s1 72365535 HYAUJANMNSUPNU-AWEZNQCLSA-N 316.474 3.043 0 40 DGAB O=C(c1cncs1)N1CC[C@H](Cc2cnc3ccccc3c2)C1 72368460 RCGAMBWLRVTFCR-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccncc1 30752150 OBIUGNDKYOCFMY-CQSZACIVSA-N 304.777 3.209 0 40 DGAB O=C(O)[C@@H](c1cccnc1)N1CCC(c2ccsc2)CC1 563283130 OQOXBJWHCCITNY-OAHLLOKOSA-N 302.399 3.148 0 40 DGAB CC(C)CNC(=S)Nc1ncc(Cl)cc1Br 223876265 LEPBTHNOKAYVMF-UHFFFAOYSA-N 322.659 3.440 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1ncccc1C 225638504 PBRGWEIQSOLCKL-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB CCS(=O)(=O)c1ccccc1NCCc1sc(C)nc1C 195576187 UVVNFAACWJHHOU-UHFFFAOYSA-N 324.471 3.208 0 40 DGAB CCCCCNC(=O)C(=O)Nc1ccc(Cl)cc1Cl 42645970 HFSMERLZFYEVPK-UHFFFAOYSA-N 303.189 3.238 0 40 DGAB CC(C)c1cc(CNC2CCN(C(=O)CC(C)(C)C)CC2)on1 89155216 DOGBHTBFKWSWHC-UHFFFAOYSA-N 321.465 3.315 0 40 DGAB CC(C)OCCCNC(=O)[C@@H](C)Oc1cccc2c1CCCC2 223611849 OFIFBIYQQAOZLP-OAHLLOKOSA-N 319.445 3.264 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)Nc1cc(OC)ncn1 77198742 ODFSYFKZTQHDAJ-UHFFFAOYSA-N 323.352 3.289 0 40 DGAB Cc1ccc(N(C)CCCNC(=O)c2cccc(F)c2)cc1 224959742 IRCRJPJQKKJXCX-UHFFFAOYSA-N 300.377 3.390 0 40 DGAB CC[C@]1(C)CN(C(=O)Nc2cc(F)c(OC)cc2C)CCO1 190311478 MACJUHKUNMKKTH-MRXNPFEDSA-N 310.369 3.176 0 40 DGAB C[C@]1(C(=O)NCc2ccco2)CC(c2ccccc2Cl)=NO1 96192861 YYZXRISVKYJEFW-MRXNPFEDSA-N 318.760 3.133 0 40 DGAB Cc1cnc(CNc2cccc(Oc3ccccc3C(N)=O)c2)o1 96476041 LKPJVSWQPRMJLM-UHFFFAOYSA-N 323.352 3.486 0 40 DGAB O=C(CC1CCCCC1)NC1CCN(Cc2cncs2)CC1 96490036 YVEOKGZOYBKPNN-UHFFFAOYSA-N 321.490 3.194 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCc2nc(C)c(C)s2)cc1 96442716 PNCPONRVPHGTQP-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCCOc3ccccc3)no2)cc1 96346477 JPGUDKWARIOCDZ-UHFFFAOYSA-N 322.364 3.459 0 40 DGAB Cc1cc(-c2nc(C)c(C)s2)nc(CC2CCNCC2)n1 257301213 RXKVNPXIALGSFZ-UHFFFAOYSA-N 302.447 3.067 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cncc(F)c1Cl 585132075 NXOPJMFZJKXZDC-UHFFFAOYSA-N 304.752 3.336 0 40 DGAB Cc1csc(Cl)c1NC(=O)[C@H](C)OC[C@@H]1CCCO1 585114366 RSQZFDJBFACTRM-UWVGGRQHSA-N 303.811 3.233 0 40 DGAB O=C(NC[C@@H]1CCCO1)Nc1ccccc1SC(F)F 43552839 KPNLWUDMIKTHIN-VIFPVBQESA-N 302.346 3.302 0 40 DGAB CN1C(=O)N(Cc2ccccc2)[C@H]2CC[C@@H](c3ccccn3)[C@H]21 257233138 GNYXTMUJEOEPJY-RYQLBKOJSA-N 307.397 3.264 0 40 DGAB Cc1ccc(NC(=O)[C@H](NC[C@H]2CCCO2)c2ccccc2)cc1 57024244 NTFKDVRIEMNYBT-RTBURBONSA-N 324.424 3.443 0 40 DGAB COc1ccc(C(=O)N2CCSc3ccccc32)cc1OC 57337971 JECABVSOZAJPFW-UHFFFAOYSA-N 315.394 3.456 0 40 DGAB CCOC(=O)c1ccc(NC(=S)Nc2ncccc2C)cc1 5499826 MZOXIQDTWDSLBV-UHFFFAOYSA-N 315.398 3.376 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)Nc1ccccc1OC 11636846 DQCBYWQBZRMBMS-MRXNPFEDSA-N 315.369 3.500 0 40 DGAB COc1ccc(CCNC(=O)c2cc(Cl)ccc2O)cc1 12997003 VKIIZUHYPZRLGI-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB COc1ccccc1[C@H](O)c1cnc(C)n1Cc1ccccc1 13281780 LEVWMRJTPKKPTI-IBGZPJMESA-N 308.381 3.330 0 40 DGAB Cc1cc(C)nc(-n2nc(C)cc2OC(=O)Nc2ccccc2)n1 14608451 ZYIMRZQPSSUDKJ-UHFFFAOYSA-N 323.356 3.198 0 40 DGAB CCc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 15669536 HVHBNBXDTQNYKZ-UHFFFAOYSA-N 322.368 3.265 0 40 DGAB O=c1oc2ccccc2n1Cc1coc(-c2cccc(F)c2)n1 26778206 MAMSNINHNVKCQY-UHFFFAOYSA-N 310.284 3.437 0 40 DGAB NC(=O)c1ccccc1OCc1csc(Cc2ccccc2)n1 31645503 BJSNRWFDLWOWPU-UHFFFAOYSA-N 324.405 3.412 0 40 DGAB Fc1ccc(F)c(CN2CCC(COc3ncccn3)CC2)c1 1775995858 LJEDECRLQVJXTH-UHFFFAOYSA-N 319.355 3.046 0 40 DGAB Cc1cc(Br)cc(C(=O)N2CCOCC[C@H]2C)c1 130606846 VWPLOJCWPPVRGX-LLVKDONJSA-N 312.207 3.009 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3ccsc23)C1 2086887030 RREXXWIKXYOTPA-GFCCVEGCSA-N 312.398 3.052 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 40009564 ZUCDLNJBZSUMBV-KFWWJZLASA-N 324.465 3.328 0 40 DGAB CCOc1ccccc1N[C@@H](C)C(=O)N1CCc2ccccc2C1 40005414 NOOOTQSQWNBIJZ-HNNXBMFYSA-N 324.424 3.471 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@@H]2COc3ccccc3O2)c1 30995616 QRCQUTODDUJDBC-OAHLLOKOSA-N 312.369 3.265 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2cc(F)ccc2F)cc1 40525753 XRSOMVVZPCTFOA-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB COc1ccc(OC)c(NC(=O)N(C)Cc2ccsc2)c1 40526039 VOOFKQGZNIVHMD-UHFFFAOYSA-N 306.387 3.429 0 40 DGAB Fc1ccc(-c2noc(CN3CCO[C@@H]4CCCC[C@@H]43)n2)cc1 51994553 GISQFXAJPSOGSL-LSDHHAIUSA-N 317.364 3.019 0 40 DGAB Cc1noc(CCNC(=O)c2ccccc2-c2ccccc2)n1 60241881 OAQVBNMCMOAINR-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB CSc1nc2oc3c(c2c2nncn12)CC(C)(C)SC3 366274 OVHMLPMATXJTMT-UHFFFAOYSA-N 306.416 3.160 0 40 DGAB COC(=O)[C@@H](C)Sc1nnc2cc(C)c3cccc(C)c3n12 11903146 WEOXJYUZASNFMW-LLVKDONJSA-N 315.398 3.153 0 40 DGAB CCc1nnc(NC(=O)CCc2c[nH]c3ccccc23)s1 2653186 GBEHMKQOJUBNNS-UHFFFAOYSA-N 300.387 3.153 0 40 DGAB CC(C)C(=O)N1CC[C@@H](NCc2cccc3[nH]ccc23)[C@@H](C)C1 76057587 LIYAOAANQPSUKT-WMLDXEAASA-N 313.445 3.151 0 40 DGAB COc1cc2c(cc1OC)C(=O)[C@H](N1CCCCC1)CCC2 1699158 AUMOZXJIOABWJQ-OAHLLOKOSA-N 303.402 3.077 0 40 DGAB CCc1ccccc1NC(=O)Nc1ccc(C(=O)O)c(O)c1 1738401 GXHVXYUAJBLVCK-UHFFFAOYSA-N 300.314 3.297 0 40 DGAB CN(C)[C@@H](C(=O)Nc1nccs1)c1c(F)cccc1Cl 78869333 BTFWECTZOVDGAL-LLVKDONJSA-N 313.785 3.177 0 40 DGAB Cc1cccc(C(=O)N2CC(c3nc4ccccc4s3)C2)n1 79095327 JEYLWCXMFKREKJ-UHFFFAOYSA-N 309.394 3.239 0 40 DGAB O=C(C[C@H]1CCCO1)N(Cc1ccccn1)c1ccc(F)cc1 79140593 HARNLVMTNHCGIZ-QGZVFWFLSA-N 314.360 3.323 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)c2cnc3ccccc3n2)s1 79738079 KXUBNKIWULQIHX-UHFFFAOYSA-N 312.398 3.060 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2c1ccc(N(C)C)cc1 3077222 SIFPURSJLSOTJV-MRXNPFEDSA-N 313.353 3.030 0 40 DGAB COc1cc([C@@H](C)NC(=O)CCSC)ccc1OC(C)C 32914545 VHAPSBIRMLUTAP-GFCCVEGCSA-N 311.447 3.413 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1nccs1 7918972 LDJISKGYCDXNGC-UHFFFAOYSA-N 312.398 3.127 0 40 DGAB CCOc1cccc(C(=O)Nc2noc(-c3ccccc3)n2)c1 21800400 BEOIDNYGAAEJBL-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB CCCCCN(CCCCC)Cc1nc(O)c2cnn(C)c2n1 52828254 QWUMXFPDAQPZKD-UHFFFAOYSA-N 319.453 3.251 0 40 DGAB O=C(CCCC(=O)OCC(F)(F)C(F)F)Nc1ccccc1 8295259 ZASXMHGMGRMKJO-UHFFFAOYSA-N 321.270 3.239 0 40 DGAB COc1cccc(-c2nc(-c3ccccc3OC)cc(=O)o2)c1 520011 IARZKZUXEKBJDW-UHFFFAOYSA-N 309.321 3.386 0 40 DGAB COc1ccc(CC(=O)N2CCC[C@@H]2c2cc(C)no2)cc1F 47266506 YIRDTYQJNAEYBC-CQSZACIVSA-N 318.348 3.037 0 40 DGAB Cc1cccc(OCCNC(=O)CCc2ccccc2F)c1 56825739 WTMUWVDBMDRHLE-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB O=C(NCc1ccccc1)c1nc(-c2cccc3[nH]ccc23)no1 12409362 KYAKQNCVIVBHLT-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB CC(C)N(Cc1ccccc1)C(=O)[C@H]1Cc2ccccc2C(=O)O1 22323283 RWDXAWOUQBZGRH-GOSISDBHSA-N 323.392 3.205 0 40 DGAB FC(F)(F)c1ccnc(Oc2ccc(-c3nnco3)cc2)n1 24053226 GXXYBDIGJCPYMZ-UHFFFAOYSA-N 308.219 3.338 0 40 DGAB Nc1cccc(Cl)c1N1CCN(Cc2ccccc2)CC1 52929365 GRLQOSNKGVWZQJ-UHFFFAOYSA-N 301.821 3.244 0 40 DGAB CC(=O)c1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3263613 NAOLHUYTSVURLC-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB O=C(Nc1cccnc1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 56352189 QNNUGSCXVYUKJG-HZPDHXFCSA-N 315.348 3.263 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)NC1CCC(C)CC1 25535311 CXWUCJZDYSRBQA-BLZCZZARSA-N 312.413 3.197 0 40 DGAB c1coc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)c1 107711923 AXHWVVFYWPBOKW-MSOLQXFVSA-N 305.418 3.077 0 40 DGAB O=C(NC1CCCC1)c1csc(NCc2ccccc2)n1 44894152 QYYHTLBIFLBJAO-UHFFFAOYSA-N 301.415 3.428 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1CCCc2ccccc21)c1ccccc1 58265425 GWENUSQWTHGWPS-SFHVURJKSA-N 322.408 3.233 0 40 DGAB Cc1cccnc1NC(=O)NCc1cc(-c2ccccc2)on1 58223356 WPFZZUYEJKMTQX-UHFFFAOYSA-N 308.341 3.367 0 40 DGAB CCOc1cccc(CNC(=O)c2c(OC)cccc2OC)c1 22530629 MOBLKHAWUCBZML-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB O=C1NC2(CCCC2)C(=O)N1Cc1cccc(C(F)(F)F)c1 3329725 FZRWDFPXIRJCOD-UHFFFAOYSA-N 312.291 3.070 0 40 DGAB CCOC(=O)c1cccnc1Sc1ccc2c(c1)OCCO2 12773064 IXIZOXCCCWURRA-UHFFFAOYSA-N 317.366 3.181 0 40 DGAB c1coc(Cn2nnnc2SCc2cccc3cccnc23)c1 11315413 RQRYJCSWXXDUFZ-UHFFFAOYSA-N 323.381 3.155 0 40 DGAB CC(C)Oc1cccc(Cn2cnc3sccc3c2=O)c1 48375360 WJQQDBDCNUCFEB-UHFFFAOYSA-N 300.383 3.294 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 48343991 ZUBKGJZOAVNHRU-CQSZACIVSA-N 313.353 3.337 0 40 DGAB COc1ccc(C(=O)CCCC2OCC(C)(C)CO2)c(OC)c1 2518117 ITXQQPMXQZCBBD-UHFFFAOYSA-N 322.401 3.456 0 40 DGAB Cc1nc([C@@H](C)NC2CCN(c3ccccn3)CC2)cs1 36932240 YWFNTUMGROERIX-GFCCVEGCSA-N 302.447 3.166 0 40 DGAB in-vitro C[C@@H]1CCCC[C@H]1NC(=O)CSc1ncnc2sccc12 3420701 GUOHZJMHEWPUHN-ZYHUDNBSSA-N 321.471 3.478 0 40 DGAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1cccc(Cl)c1 4042069 TYDRDXABVMPFOR-HNNXBMFYSA-N 312.756 3.234 0 40 DGAB biogenic CCCc1nc(CN2CCO[C@H](c3nc(C)cs3)C2)cs1 65458263 ISHVIKVTTLAJFU-ZDUSSCGKSA-N 323.487 3.434 0 40 DGAB O=C1C[C@H](C(=O)NC2CCCCCC2)c2ccc(F)cc2N1 14047590 MOGZWSMSRXQGOV-AWEZNQCLSA-N 304.365 3.091 0 40 DGAB CCC[C@@H]1CCCN(C(=O)c2ccc(S(C)(=O)=O)cc2)CC1 65590399 HIMQTOAWCBDDOH-CQSZACIVSA-N 323.458 3.133 0 40 DGAB CCn1c(=O)n(CCOc2ccccc2C(C)=O)c2ccccc21 14145628 POVKHDNBIDKZNK-UHFFFAOYSA-N 324.380 3.105 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@@H](c2cccc(F)c2)C1(F)F 5447492 JKBCIRZLTWPYNN-AWEZNQCLSA-N 321.254 3.278 0 40 DGAB Cc1cccc(C[S@@](=O)Cc2nc(-c3ccco3)no2)c1 66297221 LDSMKLANUOPXBX-NRFANRHFSA-N 302.355 3.087 0 40 DGAB Cc1cc(C)c2c(n1)sc1c(NCCCN(C)C)ncnc12 6759399 FVHNCSWMKILNDI-UHFFFAOYSA-N 315.446 3.220 0 40 DGAB O=c1[nH]c(C[C@@H]2CCCO2)nc2sc(-c3ccccc3)cc12 66606214 IYIKYEWHIUAZCQ-LBPRGKRZSA-N 312.394 3.373 0 40 DGAB c1ccc(OC[C@H]2CCCN(Cc3cnc4cnccn34)C2)cc1 93364666 FXAJLSNAGSTQID-INIZCTEOSA-N 322.412 3.020 0 40 DGAB Cc1ccc(CNC(=O)c2cc(=O)c3ccc(C)cc3o2)cc1 6811258 BSVJAMBPKSRIGC-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB CC1([C@H]2CCCN(C(=O)NCCC3=CCCCC3)C2)OCCO1 96501822 LIRNGAVMESBUOW-INIZCTEOSA-N 322.449 3.062 0 40 DGAB CCc1ccc(CNC(=O)COC(=O)c2ccc(C)cc2)cc1 67208124 HPVJXFGWCAMAJM-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB CCCC1(CCC)NC(=O)N(CC(=O)c2ccc(C)s2)C1=O 7388752 KBYZBYUNJWTDKC-UHFFFAOYSA-N 322.430 3.130 0 40 DGAB CC(C)(C)[C@H](O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21 19771451 XAIYXEPUHDXXQO-GOSISDBHSA-N 323.440 3.378 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2ccccn2)c1C 7699723 QYDGEINZCGQJEB-NSHDSACASA-N 318.398 3.177 0 40 DGAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccc(N2CCCC2=O)cc1 68657523 AHDLNHSKZOANFP-GJZGRUSLSA-N 312.413 3.347 0 40 DGAB Cc1ccc(Cl)c(-n2nnc(C(=O)NC3CCCC3)c2C)c1 8022319 MVLWFEDFFSZXQL-UHFFFAOYSA-N 318.808 3.210 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@@H]2C)c1 9457652 SPOSRXKOQMQOBV-SJKOYZFVSA-N 311.337 3.056 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCC(=O)c2cccs2)c1 9479140 SQDRSUMOEJVEFB-UHFFFAOYSA-N 316.382 3.308 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1)Nc1ccc(F)cc1Cl 69515530 SXXPCLYXOINBQF-CQSZACIVSA-N 308.740 3.334 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 69652019 XMENCDVTYVOPNR-CYBMUJFWSA-N 322.836 3.109 0 40 DGAB Fc1cccc(CNC2CCN(CCc3ccncc3)CC2)c1 71792606 RLEIYIHJGHYRFJ-UHFFFAOYSA-N 313.420 3.017 0 40 DGAB COC(=O)[C@@H](Sc1nnc(NC2CC2)s1)c1ccccc1 69701996 JUSRYFPEAMOYEI-NSHDSACASA-N 321.427 3.119 0 40 DGAB COc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)c(C)cc1C 27588470 TUKWZMUJVMPWIV-CQSZACIVSA-N 319.426 3.352 0 40 DGAB CN(C)[C@H]1CCN(C(=O)Nc2cc(Cl)ccc2Cl)C1 95349197 GCMFNTCLLHNYMD-JTQLQIEISA-N 302.205 3.161 0 40 DGAB Cc1cc(N2CCC(=Cc3ccccc3)CC2)n2ncnc2n1 95408674 CSDRQOZAGDFJMB-UHFFFAOYSA-N 305.385 3.117 0 40 DGAB COCCOc1ccc(CN[C@@H]2CCCc3sccc32)cn1 95420414 AQYOWQSDXNGWSZ-OAHLLOKOSA-N 318.442 3.336 0 40 DGAB Cc1sc2ccccc2c1S(=O)(=O)NCc1cccnc1 84935632 VKFGWMUUHLMYHO-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB O=C(CC1(O)CCCCC1)N[C@@H]1C[C@H]1c1cccc(F)c1F 74003412 DSNIJBNDKMTIEK-GXTWGEPZSA-N 309.356 3.022 0 40 DGAB C[C@@H]1CC[C@H](C(=O)Nc2cncc(Br)c2Cl)O1 95980703 YLGZERWWYLZDBZ-HZGVNTEJSA-N 319.586 3.004 0 40 DGAB CSc1ccc(CC(=O)NCCCCCCC(=O)O)cc1 89493857 MUMVLCKOENZQAD-UHFFFAOYSA-N 309.431 3.102 0 40 DGAB CN(C)[C@@H](CNc1c(F)c(F)nc(F)c1F)c1cccs1 75106790 IBZDYVHRSWLAAB-ZETCQYMHSA-N 319.327 3.414 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)COc1cc(C)n(C)n1 89688822 XTQDUSLIEROXJW-UHFFFAOYSA-N 301.390 3.178 0 40 DGAB FC(F)(F)c1cnc(N2CCc3cncnc3C2)c(Cl)c1 75584650 HAWWUZUPESZLTM-UHFFFAOYSA-N 314.698 3.107 0 40 DGAB c1csc([C@@H](c2nnnn2C2CCCCC2)N2CCCC2)c1 20098496 MGJFUBWPOACCBA-HNNXBMFYSA-N 317.462 3.425 0 40 DGAB COCCCN1C(=O)S/C(=C/c2cccc(Cl)c2)C1=O 409231343 CCJQTPOZRNWONE-FMIVXFBMSA-N 311.790 3.413 0 40 DGAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1ccc2[nH]cnc2c1 38678692 MQPJIGLTHVCKOI-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB COc1ccc(N/C=C2\SC(=O)N(CC(C)C)C2=O)cc1 36636223 WZEVRTRXFLYLTO-JYRVWZFOSA-N 306.387 3.300 0 40 DGAB COc1cc2c(cc1O)[C@H](CCc1ccc(O)cc1)N(C)CC2 3847469 DTOIFYMRBLCQCF-KRWDZBQOSA-N 313.397 3.268 0 40 DGAB biogenic CCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 36635730 DGXCMXVLGMRYIU-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)o1 73698028 FTDQARHHCBKBBY-GFCCVEGCSA-N 322.405 3.022 0 40 DGAB C=Cc1ccc(N2CCN(C(=O)OC(C)(C)C)CC2)nc1C 72224710 OXNGAURSXAOXDR-UHFFFAOYSA-N 303.406 3.090 0 40 DGAB CN1CCC[C@H]1c1cnc(Cl)c(I)c1 77285719 VRPODFRDDPRLOO-VIFPVBQESA-N 322.577 3.106 0 40 DGAB in-vitro Cc1nc([C@H](C)NC(=O)NCc2ccc(Cl)nc2)cs1 78663468 LLNAXKURPGWOIP-QMMMGPOBSA-N 310.810 3.060 0 40 DGAB CCOc1ccc(-c2cnc(CCC(=O)NC(C)C)o2)cc1 224854798 HRVHKCKFXGBPOB-UHFFFAOYSA-N 302.374 3.198 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CC(C)C)[nH]1 222943079 RRCZODSZHBSMCE-HZPDHXFCSA-N 314.458 3.347 0 40 DGAB CCOC(=O)/C=C/c1ccc(NC(=O)NC2CCCC2)cc1 48066078 MZBWSVSHIPLBAR-FMIVXFBMSA-N 302.374 3.327 0 40 DGAB CC(C)OCCCNC(=O)COc1cccc(C(F)(F)F)c1 42236149 YFWMAXKSPMBQGY-UHFFFAOYSA-N 319.323 3.016 0 40 DGAB COc1cccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)c1 225056663 QFHXRAJZQFDCCO-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)NCC1(SC)CC1 194994511 OOQNAWMPAGVABA-JTQLQIEISA-N 312.410 3.090 0 40 DGAB COCCCNC(=S)Nc1ccc(OC2CCCC2)cc1 44665521 ZPHODTSNLHIVKH-UHFFFAOYSA-N 308.447 3.331 0 40 DGAB NC(=O)c1cc(C(F)(F)F)nc2ccc(C(F)(F)F)cc12 88466440 HAOTVVABJAWEAC-UHFFFAOYSA-N 308.181 3.371 0 40 DGAB Cc1ccc(OCC(=O)NCCSC2CCCC2)c(C)c1 223354432 ADZPQKWEEZIYJE-UHFFFAOYSA-N 307.459 3.474 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1cccnc1 225638743 WAVVYJIVIZDPMF-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB Cc1nc(C)c(-c2nnc(NC(=O)Cc3cccs3)o2)s1 49449630 ZBRJSCZVRAVEDJ-UHFFFAOYSA-N 320.399 3.053 0 40 DGAB C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([S@@](C)=O)cc1 80128696 DXTJXJMCDAASDY-IPQOISQHSA-N 317.414 3.044 0 40 DGAB CN(C(=O)c1ccc(CN2CCCC2=O)cc1)C1CCCCC1 44880162 RXVDCCWDKGJOBO-UHFFFAOYSA-N 314.429 3.214 0 40 DGAB Cc1cccc(C2=NN(C(=O)[C@H]3CCCO3)[C@H](c3ccco3)C2)c1 95115891 FBRDIGGTFVJXQV-FUHWJXTLSA-N 324.380 3.445 0 40 DGAB COc1c(F)cc(NC(=O)N2C[C@@H](C)S[C@H](C)C2)cc1F 96434186 GCGFRJLRBUACHM-RKDXNWHRSA-N 316.373 3.331 0 40 DGAB CCc1cc(CN[C@H](C)c2ccc(N3CCCC3=O)cc2)on1 95423061 GHANRUBQYIPDJB-CYBMUJFWSA-N 313.401 3.215 0 40 DGAB CCc1ccc(CN2CCC(NC(=O)c3ccsc3)CC2)o1 92484892 GNRPOAKKIAMXGS-UHFFFAOYSA-N 318.442 3.298 0 40 DGAB C[C@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccncc2)c1 90181865 CJDYFDHYWHGFMT-KSSFIOAISA-N 321.424 3.163 0 40 DGAB CN(C(=O)NC[C@@H]1CCN(C2CC2)C1)C1CCCCCCC1 96402615 CCUANVDPZSDPTH-HNNXBMFYSA-N 307.482 3.225 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2cccc(Cl)c2C=O)CC1 148995666 RYFTYNYYMOYXHE-UHFFFAOYSA-N 324.808 3.210 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 257226867 FMMQKDKKOYKJFZ-NSHDSACASA-N 305.328 3.016 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)[C@H]2C[C@H]2c2ccccc2)n1 253388899 NNLQIIMMOSIFAU-JYJNAYRXSA-N 311.385 3.235 0 40 DGAB COc1cc(C)cc(NC(=O)N(C)CCCN2CCCC2)c1C 281914038 JEFCJOGIOOYJAH-UHFFFAOYSA-N 319.449 3.262 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(F)c(C(F)(F)F)c1 43566843 NLHAVTPGBGIXJH-UHFFFAOYSA-N 301.243 3.437 0 40 DGAB CCc1nc([C@@H]2CCCN2C(=O)[C@H](C)c2cc(C)oc2C)no1 72299197 AQLLJCXRORWUMQ-RISCZKNCSA-N 317.389 3.309 0 40 DGAB O=C(c1cccs1)N1CCCSC[C@@H]1CN1CCCCC1 85473274 BLBVUOMHCIFTHX-AWEZNQCLSA-N 324.515 3.182 0 40 DGAB CC1(C)[C@@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@H]21 101353536 LJCYTFVKJVXGFS-VXGBXAGGSA-N 314.414 3.325 0 40 DGAB Cc1cc(NC(=O)N(Cc2cccs2)C[C@H]2CCCO2)no1 12863728 YISWGILOMHPPAW-GFCCVEGCSA-N 321.402 3.258 0 40 DGAB Cc1ccsc1CN(CCCO)Cc1nc2ccccc2[nH]1 13997357 LEOCMGPVPZDZOG-UHFFFAOYSA-N 315.442 3.317 0 40 DGAB O=C(N/N=C/C=C/c1ccco1)c1ccc(N2CCCC2)cc1 7384877 FSYBMBFMBIWMJO-GRKKMJAJSA-N 309.369 3.309 0 40 DGAB O=Cc1ccc2oc(C(=O)c3ccc4c(c3)OCCO4)cc2c1 163456 HEANFJLYEVTABF-UHFFFAOYSA-N 308.289 3.248 0 40 DGAB Cc1c(N)cccc1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 226301850 BCADCOQHPQXING-TXEJJXNPSA-N 314.385 3.087 0 40 DGAB COCc1ccccc1CNC(=O)N(C)Cc1ccsc1 26390596 ZKGLZGZQMIICGT-UHFFFAOYSA-N 304.415 3.236 0 40 DGAB Cc1nccn1CC1CN(Cc2ccc(C(F)(F)F)cc2)C1 1849596452 SETULJNYSPATRD-UHFFFAOYSA-N 309.335 3.342 0 40 DGAB CCc1[nH]c(C(=O)N(C)Cc2cccs2)c(C)c1C(=O)OC 31345826 CIBRGDACWJZDGY-UHFFFAOYSA-N 320.414 3.006 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)[C@@H]1CC(c2cccc(F)c2)=NO1 36760384 YYEDCKALPAYBNP-HNNXBMFYSA-N 320.270 3.236 0 40 DGAB CCOC(=O)c1sc(NC(=O)/C=C/c2ccccc2)nc1C 46948 PUFZZKLHPYHZSA-MDZDMXLPSA-N 316.382 3.280 0 40 DGAB COCc1ccccc1CNC(=O)CCc1ccc(F)c(F)c1 40074074 ZKZDIBUHISFZPJ-UHFFFAOYSA-N 319.351 3.360 0 40 DGAB COc1ccccc1CCNC(=O)c1cccc2c1ccn2C 40268217 DXHRISJTSJIVTM-UHFFFAOYSA-N 308.381 3.159 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1cccs1 40485290 FAIZHRIZVNYKGV-DGCLKSJQSA-N 320.414 3.094 0 40 DGAB COc1ccc(-c2nc(CSCC(=O)NC(C)C)co2)cc1 31424507 ZOXGTTAUQIJKOQ-UHFFFAOYSA-N 320.414 3.108 0 40 DGAB O=C(NCc1ccccn1)c1cc(-n2cccc2)ccc1Cl 31820521 MLMRYVJGZRQEPL-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB c1ccc(C(c2ccccc2)c2noc(Cn3ccnc3)n2)cc1 32587168 SQTYRUWAJFTHQT-UHFFFAOYSA-N 316.364 3.495 0 40 DGAB COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2C)c1 385020 YOSZDYDIJIRNHF-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CN(Cc1ccccc1)C(=O)NCCCN(C)c1ccccc1 32795485 HMIMFZFPNNPJDH-UHFFFAOYSA-N 311.429 3.355 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)cc1 260228 ZPISLBBRFBNFDA-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB C[C@H]1CCc2noc(NC(=O)c3cc4ccccc4oc3=O)c2C1 11915472 KMIJUIDFQWRRMO-JTQLQIEISA-N 324.336 3.158 0 40 DGAB O=C(Nc1c2c(nn1-c1ccc(F)cc1)CSC2)C1CC1 425766 VNTPBTFWOIZYIX-UHFFFAOYSA-N 303.362 3.107 0 40 DGAB Cc1csc(C(C)(C)NC(=O)Nc2cnn(CC(C)C)c2)n1 78938244 XBPIVYVWYUNSOZ-UHFFFAOYSA-N 321.450 3.361 0 40 DGAB CCCN1C(=O)/C(=C\c2ccc(CC)cc2)C(C(=O)OC)=C1C 6654665 MNXUIKWPTIAOIF-VBKFSLOCSA-N 313.397 3.332 0 40 DGAB COc1cccc(Cn2ncc3c(Cl)nc(Cl)nc32)c1 33359128 XIPXHFGQISZWCO-UHFFFAOYSA-N 309.156 3.190 0 40 DGAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@H]1C)c1cccnc1 97013201 LBYNGFYVLUYJOT-CABCVRRESA-N 324.428 3.193 0 40 DGAB COc1cc2ccccc2c(Br)c1C(=O)N(C)C 59843565 OOQYAXWJOJVXGF-UHFFFAOYSA-N 308.175 3.313 0 40 DGAB Cc1cn2c(CNc3ccc(C(=O)O)cc3)c(C)nc2s1 37506497 FZVSEXXRBXPNDU-UHFFFAOYSA-N 301.371 3.323 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccc(F)cc1)c1ccccc1 12506641 GUGCGBGYOMWDMB-MRXNPFEDSA-N 309.344 3.079 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)o1 83825353 YGSQEIZEGQNODG-LBPRGKRZSA-N 301.346 3.080 0 40 DGAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 24518779 AWFFVOJLQXWTFV-UGSOOPFHSA-N 312.388 3.496 0 40 DGAB Cc1nn(C)cc1CCC(=O)Nc1ccc2oc(C3CC3)nc2c1 71908503 IQMONBYAQIHDEM-UHFFFAOYSA-N 324.384 3.318 0 40 DGAB C[C@H](NC(=O)Nc1nncs1)c1cccc(C(F)(F)F)c1 43130236 OUZPRYLCTPGIFW-ZETCQYMHSA-N 316.308 3.440 0 40 DGAB CCN(C(=O)COc1ncnc2ccccc12)C1CCCCC1 3266767 YQKRKCLCPXDXPO-UHFFFAOYSA-N 313.401 3.190 0 40 DGAB COc1ccc(OC)c(CNC(=O)Nc2ccc(F)cc2)c1 25242674 LEKWKVVSYUEDET-UHFFFAOYSA-N 304.321 3.165 0 40 DGAB Cc1nn2c(C)cc(C(=O)O)nc2c1-c1ccc(Cl)cc1 34925880 XDILDFJBSLZKDC-UHFFFAOYSA-N 301.733 3.365 0 40 DGAB COCCN[C@@H](c1cc(Cl)ccc1Cl)[C@H]1CCOC1 97036976 GBUNUYVUVSKARC-IINYFYTJSA-N 304.217 3.307 0 40 DGAB O=C(c1ccccc1OCc1cn2ccccc2n1)N1CCCC1 27392714 NEBOZVGEPBHSSE-UHFFFAOYSA-N 321.380 3.149 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(OC)c(N)c2)cc1 57340438 HGZQJKIREITDRK-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB Cc1ccc(NC(=O)NCC[S@@](=O)C(C)(C)C)cc1Cl 72289043 ORYXQXCAIOODNE-FQEVSTJZSA-N 316.854 3.317 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccsc1 72234196 MTQYKFQIDVOWFQ-LLVKDONJSA-N 309.822 3.421 0 40 DGAB CCc1ccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)cc1 22236236 YRCKYTYEAMWQFD-UHFFFAOYSA-N 324.355 3.492 0 40 DGAB O=C(NCCCCOc1ccc(Cl)cc1)c1ccc(O)nc1 11084784 HECKNBBBJNGXNC-UHFFFAOYSA-N 320.776 3.030 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2s1)c1nnc2ccccn12 48374563 FGRNQWRCWWRHSH-LLVKDONJSA-N 322.393 3.435 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2C)cc1 48356318 COCAYJFRANAVMW-LBPRGKRZSA-N 314.385 3.046 0 40 DGAB C[C@H]1CC(=O)c2sc(NC(=O)c3cccnc3Cl)nc2C1 2543356 IZMQKUNTSIIJOZ-SSDOTTSWSA-N 321.789 3.209 0 40 DGAB CC(C)CN1CCC(NCc2c[nH]nc2-c2cccs2)CC1 42207511 ZHGVFCFATXEYET-UHFFFAOYSA-N 318.490 3.348 0 40 DGAB CC(C)[C@H](NC(=O)N(C)Cc1cnn(C)c1)c1cccs1 65411606 MKRAMZIFYVJWQD-AWEZNQCLSA-N 306.435 3.020 0 40 DGAB Cc1noc(CCCC(=O)NC2(c3ccc(F)cc3)CCC2)n1 65592131 YUWDEYKIMRPVJG-UHFFFAOYSA-N 317.364 3.035 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)[C@H]1CCCC[C@@H]1C(=O)O 4600138 JKMKFVJLYBZSHJ-KBMXLJTQSA-N 303.402 3.015 0 40 DGAB CCOC(=O)c1cc(NC(=O)c2ccc(C)c(C)c2)ccc1O 4659843 OIRZDVIZKUPMPZ-UHFFFAOYSA-N 313.353 3.438 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)NCCC1=CCCCC1 14517568 DMRFLKJXERFSBI-UHFFFAOYSA-N 310.397 3.120 0 40 DGAB COc1cc(NC(C)=O)c(Cl)cc1C(=O)NCCC(C)C 4834685 BTSCVKQYQLKAGM-UHFFFAOYSA-N 312.797 3.083 0 40 DGAB CC(C)[C@@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 15363657 JJZLFTFTSAPABZ-OAHLLOKOSA-N 324.833 3.411 0 40 DGAB Fc1ccc(OCCSc2nnc(NC3CC3)s2)cc1 7577574 RHZAIRLYJUCFAF-UHFFFAOYSA-N 311.407 3.423 0 40 DGAB Cc1ncsc1C(=O)N1C[C@@H](n2cccn2)Cc2ccccc21 81258719 PKJOLHVUGJBAIC-AWEZNQCLSA-N 324.409 3.092 0 40 DGAB Cc1cccnc1NC(=O)c1ccc(NC(=O)c2ccco2)cc1 9322055 TVCSBFZKEDQAGR-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB C[C@@H](NC(=O)/C=C/CN(C)C)c1ccc(-c2cccnc2)cc1 81992495 VEWFUUCXZWPFIU-KEDPEKRHSA-N 309.413 3.044 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3)cc2NC1=O 9364928 RZSHOPRWXZETNU-OFFHKIPUSA-N 308.337 3.058 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N(Cc1ccsc1)C1CC1 69889080 MSVYCTQEXBNHRB-NSHDSACASA-N 317.458 3.393 0 40 DGAB c1ccc(CCc2nc(-c3ccccc3)c3n2CCNC3)cc1 72233686 OFAXEJNCLAWHMC-UHFFFAOYSA-N 303.409 3.439 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CC(=O)O 9846849 QKYZPTYJVJRMRM-SFHVURJKSA-N 320.348 3.106 0 40 DGAB O=C(NCCCc1c[nH]c2ccccc12)Nc1ccncc1F 97135798 KLFUZRYNJQTEPC-UHFFFAOYSA-N 312.348 3.456 0 40 DGAB Cc1nnc([C@H](C)Sc2nnnn2C2CCCCC2)s1 97372544 UJOKKFDYFYUOKL-QMMMGPOBSA-N 310.452 3.192 0 40 DGAB CN1CCCN(C(=O)c2sccc2-c2ccccc2)CC1 97617093 YQOGPQFVHVMUOZ-UHFFFAOYSA-N 300.427 3.193 0 40 DGAB C[C@H](CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1)n1cccc1 84636710 IEYKKLYQJHKDDI-OCCSQVGLSA-N 314.389 3.063 0 40 DGAB OCc1cccc(NCc2nc(-c3ccc(Cl)cc3)no2)c1 95469717 FAIKUJQAVRURRH-UHFFFAOYSA-N 315.760 3.494 0 40 DGAB CC[C@H](C)c1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)on1 95424062 BUUDLNQXGTXPFW-FZMZJTMJSA-N 316.357 3.134 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCOC1 95447293 ZTZLBEPWKVSGPY-ZYHUDNBSSA-N 314.788 3.046 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)[C@@H](C)c1ccncc1 95975799 XXYMYWQJKPLDGQ-FZMZJTMJSA-N 300.406 3.135 0 40 DGAB O=S(=O)(C1=Cc2ccccc2CC1)N1C[C@H]2CC=CC[C@H]2C1 95961879 UWKONTTXQKPXGU-CALCHBBNSA-N 315.438 3.202 0 40 DGAB Cc1csc(-c2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)n1 95939839 MOLWJDUHUVJSNT-UHFFFAOYSA-N 311.288 3.374 0 40 DGAB O=C(Cc1c[nH]c2cccc(Br)c12)OCC1CC1 89800154 UORMCPKHLUHXTD-UHFFFAOYSA-N 308.175 3.426 0 40 DGAB O=C(N1C[C@H]2CC=CC[C@@H]2C1)C1(c2ccccc2)CCOCC1 89827740 HZEYBBZXQZPTAK-IAGOWNOFSA-N 311.425 3.159 0 40 DGAB C[C@H](O)[C@@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 89894290 SBMJQNFOMMSDDD-GXTWGEPZSA-N 304.365 3.074 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(F)cc3)C2=O)cc1 409231511 KWPWEABJNQGRDB-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB COC(=O)c1cc(C(F)(F)F)nn1Cc1cccc(Cl)c1 408717889 ZSONFQFSRNBWNE-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB CC(C)C(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903558 QSSKOFSPHDTXFH-UHFFFAOYSA-N 317.364 3.238 0 40 DGAB O=c1c2sccc2ncn1[C@H]1CCc2ccccc2N=C1O 36365136 JWWUMSUVLRMHGG-ZDUSSCGKSA-N 311.366 3.234 0 40 DGAB CC[C@@](O)([C@@H]1CCCCN1C(=O)OC(C)(C)C)C(F)(F)F 72208721 AFRKPSLKWVQPJF-GXFFZTMASA-N 311.344 3.479 0 40 DGAB CCOC(=O)C1CCN(C(=O)c2cc(C)c(C)cc2C)CC1 74951616 MRLUQORSUZFQSW-UHFFFAOYSA-N 303.402 3.027 0 40 DGAB CC(C)c1ccc([C@@H]2Nc3ccccc3S(=O)(=O)N2)cc1 32986889 AKKKGAWOXQZLMH-MRXNPFEDSA-N 302.399 3.213 0 40 DGAB C[C@@H]1C[C@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1 79030342 VIEIVFIPFDINAZ-MFKMUULPSA-N 316.382 3.116 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 36047207 FICKTBOMIPGRMD-OTRWWLKZSA-N 314.429 3.041 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1C 72227867 PLHMNBYXIRIYQY-HOTGVXAUSA-N 300.789 3.372 0 40 DGAB Nc1cc(Br)c(N2CCCC2)c(Br)c1 226316359 BNBYJTNLIONVHX-UHFFFAOYSA-N 320.028 3.394 0 40 DGAB Cc1nc(=NC(=O)C2CCC(c3ccccc3)CC2)s[nH]1 329770247 IPIROKHHCNYJCD-UHFFFAOYSA-N 301.415 3.181 0 40 DGAB O=C(NC1CCCCC1)OC[C@H]1CN(C2CCCCC2)C(=O)O1 85384820 IFKBBDRXONEVJP-OAHLLOKOSA-N 324.421 3.199 0 40 DGAB CCCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CC 223817777 BNOPQYDIMVHWAH-INIZCTEOSA-N 322.424 3.259 0 40 DGAB O=C(NCCC1CCCCC1)C(=O)Nc1cccc(Cl)c1 41852920 UPFDYRFJFQKZTC-UHFFFAOYSA-N 308.809 3.365 0 40 DGAB Cc1ccc(N(C)CCNC(=S)Nc2ccc(C)cn2)cc1 225796878 NUSCPRDLXVAEFC-UHFFFAOYSA-N 314.458 3.121 0 40 DGAB COc1cccc([C@@]2(C)NC(=S)N(c3ccc(C)cc3)N2)c1 225345328 KFDZTQLSDCLBNR-KRWDZBQOSA-N 313.426 3.076 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([S@](C)=O)cc1 80128685 DXTJXJMCDAASDY-AMXDTQDGSA-N 317.414 3.044 0 40 DGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C1=O 141682871 GJCLPVZFTOXSHD-RPVFDAQASA-N 317.772 3.050 0 40 DGAB c1ccc(CN2C[C@H](OCc3cccnc3)[C@H]3OCCC[C@H]32)cc1 96187123 IJXBWPQXGOHGED-AABGKKOBSA-N 324.424 3.030 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NC[C@@H](O)c2ccco2)cc1 96476537 NXUZUQOZHLISES-SUMWQHHRSA-N 311.385 3.158 0 40 DGAB O=S(=O)(CCn1ccnc1-c1ccccc1)c1ccccc1 96417581 OZWQZUSQBFEMPL-UHFFFAOYSA-N 312.394 3.024 0 40 DGAB COc1cc(CN[C@@H]2CSCCc3ccccc32)ccn1 95420006 AHZGCULIEKKRDO-MRXNPFEDSA-N 300.427 3.210 0 40 DGAB Cc1ccsc1CN1CCC[C@@H]1c1nccc(CN(C)C)n1 257291498 QHFHRSDHZKMPNY-OAHLLOKOSA-N 316.474 3.245 0 40 DGAB Cc1cncc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257202237 ALACQZCNEFRFFJ-HNNXBMFYSA-N 321.428 3.051 0 40 DGAB O=C(NCc1cccs1)c1cccnc1-c1cncs1 257210934 BWTMZHKOMVNQNT-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB CC1=NN(c2ccc(C(=O)N3CCc4ccccc43)cc2)CC1 298515920 RZUKPYAALDUBIH-UHFFFAOYSA-N 305.381 3.476 0 40 DGAB Cc1cccnc1CNC(=O)Nc1ccc(OC(F)F)cc1 390833744 MHRVVMSNBIXPTL-UHFFFAOYSA-N 307.300 3.313 0 40 DGAB CN1CCC[C@H]1CNC(=O)CCSc1ccc(Cl)cc1 65590711 AJCISCKDXJPSOP-ZDUSSCGKSA-N 312.866 3.033 0 40 DGAB O=C(N[C@@H]1CCN(c2ccccc2)C1)c1cccc2cc[nH]c12 80086947 RWUGRSJTVKYMMO-OAHLLOKOSA-N 305.381 3.177 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)c1[nH]ncc1Br 78926997 TXKZEWHMPQYJKS-SSDOTTSWSA-N 314.208 3.067 0 40 DGAB Cc1ncsc1CN1CC[C@H](Cc2ccccc2F)[C@@H](O)C1 1615086043 HENZGTNKTNRQFT-ZBFHGGJFSA-N 320.433 3.016 0 40 DGAB COc1ccc(NC(=O)C[S@@](=O)c2cccc(Cl)c2)cc1 5210762 NRORSVRKDPWNBV-NRFANRHFSA-N 323.801 3.095 0 40 DGAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccccc1F 12824198 DIRSUGBYVDSUJU-UHFFFAOYSA-N 304.708 3.484 0 40 DGAB Cn1c(-c2ccccc2)c(-c2ccccc2)[n+]2c1SC[C@H](O)C2 17248213 QCQJXAGGVWWPGG-MRXNPFEDSA-N 323.441 3.113 0 40 DGAB O=C(Nc1cccc2ccccc12)N1CCCN2CCCN=C21 19014914 JYDJKBMNJSNXJX-UHFFFAOYSA-N 308.385 3.139 0 40 DGAB COC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 5576602 RYDVIZOCQQWDKW-UHFFFAOYSA-N 303.383 3.496 0 40 DGAB O=C(OC1CCCCCC1)c1ccc(N2C(=O)CCC2=O)cc1 14163764 GEKPVEZCVDTHOC-UHFFFAOYSA-N 315.369 3.220 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(N2CCOCC2)cc1 27762366 VMIVXGIARHANRR-UHFFFAOYSA-N 310.397 3.013 0 40 DGAB Cn1cc([C@H]2CN(C(=O)c3ccccc3)Cc3ccccc32)cn1 585409743 USKYYEZTNYFFFM-LJQANCHMSA-N 317.392 3.208 0 40 DGAB C[C@@H](SCc1ccccc1)C(=O)Nn1cnc2ccccc21 40144386 XYBSXVYASGWFDS-CYBMUJFWSA-N 311.410 3.428 0 40 DGAB Cc1ccccc1CS(=O)(=O)N[C@@H](C)c1ccc(F)cc1 20493073 AZYMZRJFRLIIKP-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H](C)c2ccccc2)n1 40515626 LZUGWYHJRDGKOL-ZDUSSCGKSA-N 301.390 3.393 0 40 DGAB c1cc2c(cc1-c1csc(NC[C@@H]3CCCO3)n1)OCCO2 32666077 CSLMGVQJPSHBIU-LBPRGKRZSA-N 318.398 3.172 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3F)C2=O)cc1 102399209 ODMURJMANZNQRQ-CQSZACIVSA-N 316.307 3.017 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2sccc2C)c1C 69694781 AMRWOPKOUCFXEG-UHFFFAOYSA-N 320.414 3.060 0 40 DGAB C[C@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O 11800941 ORWAAQBZVLXILN-NSHDSACASA-N 310.305 3.312 0 40 DGAB O=C(COc1cc(F)ccc1F)N1CCC[C@@H](C(F)(F)F)C1 69631368 DQEXMPACSYDYCS-SECBINFHSA-N 323.261 3.145 0 40 DGAB Cc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1 534816 SEUOQQKBLTZSRR-UHFFFAOYSA-N 307.353 3.117 0 40 DGAB CCOc1ccccc1NC(=O)Cc1sc(S)nc1C 32843720 NEUXYMWTOBRMFF-UHFFFAOYSA-N 308.428 3.320 0 40 DGAB Cc1ccc(CSCC(=O)NCC(C)(C)C[C@@H](C)O)cc1 76086484 KYYLYQGIADERNV-CQSZACIVSA-N 309.475 3.142 0 40 DGAB CC[C@@H](CO)NC(=O)Nc1cc(F)ccc1SCC(F)F 76070750 VLLMJFSDMFMXEB-VIFPVBQESA-N 322.352 3.075 0 40 DGAB CCOC(=O)c1cc2sc(C)cc2n1[C@@H](C)C(=O)OCC 1338194 ZENVMJXTRMFQHI-JTQLQIEISA-N 309.387 3.312 0 40 DGAB CC(=O)Oc1ccc(NCNc2ccc(OC(C)=O)cc2)cc1 1595681 HEQAIAKLINQORA-UHFFFAOYSA-N 314.341 3.019 0 40 DGAB COC(=O)c1ccccc1NC(=O)COc1cccc(Cl)c1 3603987 JDAYPQLEKKTBEG-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1cc(Nc2ccc(Br)cc2F)n2ncnc2n1 4923540 DQHLPZXNXMMAFZ-UHFFFAOYSA-N 322.141 3.078 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc2c(c1)CCC2 6008037 BLXHPQHXJOYOKB-DAYGRLMNSA-N 303.446 3.178 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nc2ccnn2C(C)C)s1 22289911 WMEAQNFYVHVDLY-UHFFFAOYSA-N 305.403 3.436 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccccc2F)c1 8305031 OLFMMRATZDLONR-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CCc1ccc(-c2noc(CCC(=O)Nc3ccncc3)n2)cc1 23055225 TWJOUILFAZTKDN-UHFFFAOYSA-N 322.368 3.265 0 40 DGAB Cc1ccc(C)c(C(=O)[C@@H](C)Sc2nc(C)cc(N)n2)c1 23106325 YDRUPUZDIBJWOQ-GFCCVEGCSA-N 301.415 3.348 0 40 DGAB O=C(NCc1ccccn1)N[C@@H]1CCc2cc(Cl)ccc21 55089358 UGHBELWBFPVUOP-OAHLLOKOSA-N 301.777 3.222 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C=C(C)C)c(C)c2)CC1 25185327 BKRDNEWUDYTJDX-UHFFFAOYSA-N 301.434 3.042 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC(Oc2ccccc2)CC1 55763107 UIMKUZNKTNYSGX-UHFFFAOYSA-N 321.380 3.247 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)N1CCCCCCC1 43669196 QOAVDWOXDCJONJ-UHFFFAOYSA-N 319.405 3.452 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCc3cc(C)ccc32)cc1 57019651 LYXNAFQKJIKRIP-QGZVFWFLSA-N 301.411 3.269 0 40 DGAB COc1ccccc1CCNC(=O)c1cn(C)c2ccccc12 12543493 YTMIGFOQFRIREY-UHFFFAOYSA-N 308.381 3.159 0 40 DGAB CC(C)N1CCC(N[C@@H]2CCN(C)[C@H]2c2ccc(F)cc2)CC1 108495535 MPZYUJICJIIXGD-MOPGFXCFSA-N 319.468 3.033 0 40 DGAB COc1cccc(Cn2nc(C)c(NC(=O)C3CCC3)c2C)c1 28305985 AXSYFMPWHZEYCD-UHFFFAOYSA-N 313.401 3.295 0 40 DGAB Cc1ccc(C(=O)NCCc2nc(-c3cccs3)no2)cc1 35672907 DEPALSNFLZDCRM-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB COc1ccc(CCC(=O)NC(C(C)C)C(C)C)cc1OC 20491403 FQABDHZWVSIJTF-UHFFFAOYSA-N 307.434 3.433 0 40 DGAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 101275342 WKBKYAJCKDSFJM-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB CCCc1nnc(NC(=O)[C@H](CC)Oc2ccc(F)cc2)s1 27794679 JSTYAUMPBHBWIP-LBPRGKRZSA-N 323.393 3.426 0 40 DGAB Cc1noc(C)c1NC(=O)c1ccc(F)cc1Br 58343736 YJBLWGHFBWETCU-UHFFFAOYSA-N 313.126 3.445 0 40 DGAB CCOC(=O)Nc1cccc(N[C@H](C)C(=O)NC(C)(C)C)c1C 58440296 GXTSHBYVNNFYRZ-GFCCVEGCSA-N 321.421 3.279 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(C)s1 3384757 KHJKERNMMVYYPP-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB CN(c1ccc(-c2csc(C3CC3)n2)cc1)S(C)(=O)=O 28335210 QWLLQQVJJCWPJD-UHFFFAOYSA-N 308.428 3.083 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(F)c(F)c1 3313075 AXEVFZSYADIWJX-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)N3CC[C@@H]3c3ccccc3)cc12 48332630 FGFSWLCBUSGZQP-MRXNPFEDSA-N 321.384 3.256 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCc2ccccc2C1 3427477 HKTYRMXOTZAKLP-OAHLLOKOSA-N 306.409 3.023 0 40 DGAB Cc1nc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)c2ccccc2n1 3562904 CHQMLDSNIMTPOQ-SWLSCSKDSA-N 313.401 3.012 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)[C@@H]1COc2ccccc2C1 12921436 YZVRTZLRRCHHJU-LBPRGKRZSA-N 319.307 3.478 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2ccsc2)cc1OC 8734835 XREQEZUIVUTHMJ-FNORWQNLSA-N 317.410 3.437 0 40 DGAB CC(=O)CCSc1nc(N)c2c3c(sc2n1)CCCC3 5229416 BCBNVHNACCSGEI-UHFFFAOYSA-N 307.444 3.224 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@H](C)c2nc(C)cs2)C1 110714676 SZOLNFVSYWFELV-MVWJERBFSA-N 313.492 3.138 0 40 DGAB COc1cccc2cc(C(=O)NC3CCCCCC3)c(=O)oc12 4539615 QLYWGQCKGMFRHI-UHFFFAOYSA-N 315.369 3.254 0 40 DGAB CC(C)c1ccc(C(=O)CSc2nnnn2C)c(C(C)C)c1 6643453 QPCHFDLBCCRRAI-UHFFFAOYSA-N 318.446 3.432 0 40 DGAB O=C(CCc1nc2ccccc2s1)OCC(=O)c1ccco1 6608865 ACVGBXUGKHWQQE-UHFFFAOYSA-N 315.350 3.248 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc(C)o2)c1C 9050824 YLKCWZXQLDOKTM-LBPRGKRZSA-N 317.341 3.164 0 40 DGAB COc1cccc(/C=C2/SC(=O)N(C)C2=O)c1OC(C)C 409009159 BTAIBRMLXWKKPJ-XYOKQWHBSA-N 307.371 3.149 0 40 DGAB COc1ccc(CCNC(=O)Cn2c(C)cc3ccccc32)cc1 15425489 AEVYRJBSTSMQDG-UHFFFAOYSA-N 322.408 3.317 0 40 DGAB CCc1nn2c(=O)cc(CSCc3ccccc3)nc2s1 7135210 QUZLVMGTWOKOSF-UHFFFAOYSA-N 317.439 3.147 0 40 DGAB C[C@H]1CN(C(=S)Nc2ccc(F)c(Cl)c2)C[C@H](C)O1 7557688 QWRPRSRMUSGVGU-IUCAKERBSA-N 302.802 3.285 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1nc2c(s1)CCCC2 7717898 XWOAQVVGRFYSIF-UHFFFAOYSA-N 305.403 3.198 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)nc1 80912110 RGGQXEWDLZXRME-LBPRGKRZSA-N 303.793 3.194 0 40 DGAB CC(C)OCc1cccc(CN[C@H]2CCN3CCC[C@@H]3C2)c1 96484318 DTCALUWAVCLCQH-RBUKOAKNSA-N 302.462 3.328 0 40 DGAB CCO[C@@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 70041046 XUXOVUXAHUVVTI-GFCCVEGCSA-N 301.839 3.362 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)[C@@H]1C[C@@H]1c1ccccc1F 9318859 JPJXUDJAOTVKQE-CHWSQXEVSA-N 309.344 3.122 0 40 DGAB Cc1ccccc1N1CCN(C(=O)NCc2ccccc2)CC1 9368501 POTZTJNSDDIDPD-UHFFFAOYSA-N 309.413 3.027 0 40 DGAB CC[C@@H](NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1ccc(C)cc1 97114136 JUVFYYXJNMANRS-CHWSQXEVSA-N 318.339 3.011 0 40 DGAB Cc1ccnc([C@H](NC(=O)Nc2ccc(F)c(F)c2)C2CC2)n1 97164283 PZPFKVOXVBQSMR-CQSZACIVSA-N 318.327 3.336 0 40 DGAB C[C@H]1CCCN(C(=O)c2cc(C(N)=O)cs2)c2ccccc21 97113289 LOSQJKYTSSJNLD-NSHDSACASA-N 314.410 3.391 0 40 DGAB CCC[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)CC1 84740679 XQVONRFISBGWIX-JKSUJKDBSA-N 320.477 3.206 0 40 DGAB C[C@@H](CCO)CNC(=O)Cc1cc2c(ccc3ccccc32)o1 95435533 BJWBMNRMGAJEAK-ZDUSSCGKSA-N 311.381 3.263 0 40 DGAB NC(=O)c1csc(CN[C@@H](c2ccccn2)C2CCCC2)c1 95427551 FLOKENQTQYYJDO-MRXNPFEDSA-N 315.442 3.263 0 40 DGAB Cc1csc([C@H](NC(=O)NCc2nc(C)c(C)o2)C2CC2)n1 73813510 JUZBNCYEGQRMRP-CYBMUJFWSA-N 320.418 3.007 0 40 DGAB CC(C)CC1(C(=O)N2CC[C@@H](Cc3cnn(C)c3)C2)CCC1 95964982 VBNITVXVEBPEDU-HNNXBMFYSA-N 303.450 3.028 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C[C@@H]2CCOCO2)c1 95963828 IUGVFFLPSQACGU-IBGZPJMESA-N 312.413 3.155 0 40 DGAB C[C@@H](CCNC(=O)N(C)Cc1nccs1)c1ccccc1 74871083 MVLGITDKMRPAOY-ZDUSSCGKSA-N 303.431 3.478 0 40 DGAB Cn1ccnc1[C@H](Nc1nc(C2CC2)no1)c1ccc(F)cc1 89761342 MXKZGXPKDAKDOK-CYBMUJFWSA-N 313.336 3.021 0 40 DGAB O=C(NCc1ccccc1)c1cc(NCc2ccccn2)ccn1 75610675 ABYUPKHZFZCMAG-UHFFFAOYSA-N 318.380 3.019 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1COc2ccccc2O1 20487617 KRAGZUVGHUSOBC-INIZCTEOSA-N 317.772 3.138 0 40 DGAB O=C(O)c1cc(-c2ccccc2)nc2cc3c(cc12)OCCO3 24926952 DJJFRKNLXJUANQ-UHFFFAOYSA-N 307.305 3.371 0 40 DGAB COc1cc2c(cc1OC)CN(Cn1cnc3ccccc31)CC2 25285818 AMOOJYDYMZOULT-UHFFFAOYSA-N 323.396 3.069 0 40 DGAB Cc1ccccc1CNC(=O)C1(c2ccccc2)CCOCC1 32701567 FVAWQBHBFOLZCF-UHFFFAOYSA-N 309.409 3.360 0 40 DGAB Cc1ccc2c(c1)CCN2C(=O)C1=NO[C@H](c2ccccc2)C1 1525416086 KMOMJYARWVXHQC-SFHVURJKSA-N 306.365 3.402 0 40 DGAB CN(Cc1ccccc1)Cn1nc(-c2cccs2)ccc1=O 72403921 HTJIFHAYNKXZCD-UHFFFAOYSA-N 311.410 3.061 0 40 DGAB Cc1ccccc1OC[C@@H]1COCN(Cc2ccccc2)CO1 31772106 UGMNPORYTAFPFP-SFHVURJKSA-N 313.397 3.206 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(OC)c2)C1=O 36635609 YKHAUODOXJCYQX-QGZVFWFLSA-N 324.380 3.002 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N[C@H](CC)c1c(C)nn(C)c1C 72527504 AGXFGRHALRHUQB-CVEARBPZSA-N 321.465 3.342 0 40 DGAB Cc1cnc([C@H](C)NC(=O)N[C@H]2CCOc3ccccc32)s1 78309485 FKRWSOUWTZTUBH-AAEUAGOBSA-N 317.414 3.336 0 40 DGAB CN(Cc1ccccc1F)C(=O)CCc1ccc(C(=O)O)cc1 225457877 QKXZDQCSQWKNSE-UHFFFAOYSA-N 315.344 3.115 0 40 DGAB Cc1csc(COC(=O)c2cccnc2C(F)(F)F)n1 195577729 NCBUZWRZEQWPHO-UHFFFAOYSA-N 302.277 3.222 0 40 DGAB O=C1[C@@H](Nc2ccc(F)cc2Cl)CCN1CC(F)(F)F 81082700 SNRQGWDFLMQNNZ-JTQLQIEISA-N 310.678 3.054 0 40 DGAB Cc1cncc(-c2nc(Cn3cnc4c3C[C@H](C)[C@H](C)C4)no2)c1 575603185 NGAUOVDNNIFYFS-OLZOCXBDSA-N 323.400 3.056 0 40 DGAB CC(=O)N[C@H](C)C1CCN(Cc2cc(F)ccc2Cl)CC1 225466736 OCEXTJVUKJPSKE-LLVKDONJSA-N 312.816 3.216 0 40 DGAB CC(C)c1ccc(NC(=O)N(CCO)CC(F)F)cc1F 194005278 RORVOIUYXXIKBN-UHFFFAOYSA-N 304.312 3.040 0 40 DGAB O=C(NC[C@@H]1CC[C@H](O)C1)Nc1cc(-c2ccccc2)ns1 225595765 WPJFWQHMGSKREA-YPMHNXCESA-N 317.414 3.093 0 40 DGAB C[C@H]1C[C@H]1C(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48303128 JGYJECHCDULUBN-OAFZBRQQSA-N 314.473 3.437 0 40 DGAB COc1cccc(CNC(=S)Nc2c(F)cccc2F)c1 225834497 YUTLZCFZLDCPFU-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NCC 224179391 GUCOQWAEXGGUJE-INIZCTEOSA-N 304.434 3.038 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@](C)(CC)OCC)cc1 225651399 ZQUOUBBVALYJJM-KRWDZBQOSA-N 309.406 3.246 0 40 DGAB C[C@H](C[C@@H](C)SC1CCCC1)N[C@H]1CCc2ncnn2C1 585135076 WOGFOGIGIULZOD-MCIONIFRSA-N 308.495 3.025 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)OC(C)(C)C)CC3 96515925 CJJIONMOBZTFKT-UHFFFAOYSA-N 302.374 3.470 0 40 DGAB Cc1ccc(CN2C[C@H]3CN(Cc4ccccn4)C[C@@H]3C2)s1 96053795 VIGHMSDUAOAPSU-HZPDHXFCSA-N 313.470 3.015 0 40 DGAB FC(F)(F)c1nccc(I)c1Cl 95611737 PFYURLXUWVBSRO-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB Cc1ccc([C@H](C)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 97374003 YOTPKVHCBROHRC-NWDGAFQWSA-N 318.339 3.040 0 40 DGAB C[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cccc(CO)c1 96493959 SEGLTTNBJUKIRS-HNNXBMFYSA-N 321.424 3.430 0 40 DGAB O=S(=O)(O)c1ccc(-c2cnc(-c3ccccc3)o2)cc1 95935409 GBVHQAQDPKGTQT-UHFFFAOYSA-N 301.323 3.255 0 40 DGAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(Cl)cc1 257315043 UZRAIJQTRGBCHN-ZBFHGGJFSA-N 322.836 3.166 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cccc3ncccc23)n1 257248957 JFZJCOOCBQZTPU-KRWDZBQOSA-N 320.396 3.254 0 40 DGAB O=C(c1ccsc1)N1CCCC[C@@H]1c1ccn2nccc2n1 257308922 TYTCHSCRKNPURQ-CQSZACIVSA-N 312.398 3.158 0 40 DGAB C[C@@H](CNC(=O)c1cc2ccccc2o1)N1CCCC[C@H]1C 43084655 ZUGQEPOSIZPEGS-KGLIPLIRSA-N 300.402 3.426 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)c1cccs1 43291307 NGHOKESMMYOHEI-NSHDSACASA-N 318.398 3.379 0 40 DGAB Cc1ccccc1-c1noc(CNc2cccc3c2OCCO3)n1 55893945 DYHMWRCNECZZBR-UHFFFAOYSA-N 323.352 3.428 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2C2CCCC2)cnn1-c1ccccn1 56034827 IAEVXVUOXCDWDN-KRWDZBQOSA-N 324.428 3.371 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2cnn(-c3ccccc3)c2)c1 69531726 CJQDCANRCSOHSR-HZPDHXFCSA-N 309.417 3.117 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCC[C@H](C(=O)NC3CC3)C2)s1 75417566 LWWQYOMRHRYXAD-AAEUAGOBSA-N 321.446 3.015 0 40 DGAB FC(F)(F)c1cc([C@@H]2CCCN(Cc3ccncc3)C2)n[nH]1 78901080 FEVXRKSOTJLEHX-GFCCVEGCSA-N 310.323 3.203 0 40 DGAB CCc1cnc(NC(=O)c2ncccc2C(F)(F)F)s1 92439419 MVMTYHNNWMYYKY-UHFFFAOYSA-N 301.293 3.372 0 40 DGAB COc1ccc([C@@H]2[C@H]3CCC[C@H]3[C@H]2NCC2=COCCO2)cc1 19557187 DZNABFBFEWFBDR-WJFTUGDTSA-N 315.413 3.055 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2cccc(OC(C)C)c2)cc1 13668726 BDJDIUHFSXOTJB-UHFFFAOYSA-N 319.426 3.261 0 40 DGAB COC(=O)c1cccc(COc2ccc3ccc(=O)oc3c2)c1 5222606 ORYVMGVGSLKFAT-UHFFFAOYSA-N 310.305 3.159 0 40 DGAB Cc1ccc(F)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 5539020 SRPZUNQFEFAHJK-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB CCOC(=O)/C(=C\c1ccoc1)P(=O)(OCC)OCC 1634989 ZMMVOHZJUKQVCA-FMIVXFBMSA-N 302.263 3.450 0 40 DGAB CCOC(=O)c1cc(-c2ccc(OC(F)(F)F)cc2)on1 116854051 VTEJBNZABXLETM-UHFFFAOYSA-N 301.220 3.417 0 40 DGAB C[C@@H]1C[C@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC(C)(C)C1 4614626 BRLOPWYLXBHZKT-YRKSKIDTSA-N 307.434 3.064 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 3222144 PWQQWHIQQFSHJD-UHFFFAOYSA-N 316.426 3.348 0 40 DGAB COc1cccc([C@@H]2CCCN2CC(=O)NCc2ccccc2)c1 10226046 CWYUREIJTAPVFV-IBGZPJMESA-N 324.424 3.149 0 40 DGAB CCC[C@H](NC(=O)NCc1ccnc(OC)c1)c1ccccc1 40071113 IEOHJOVNIGSBAV-INIZCTEOSA-N 313.401 3.431 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)N[C@H]3CCCC[C@H]3C)cc2NC1=O 40023833 WJWALXCSBJUAEW-MDZLAQPJSA-N 317.389 3.106 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)Cc2ccc(-n3cccn3)cc2)[C@@H]1C 40107312 WIQNOYAIUYGHGP-IIDMSEBBSA-N 311.429 3.356 0 40 DGAB COc1ccc(NC(=O)CCSC(F)(F)F)c(OC)c1 40513877 SIQCYAQALHXEMU-UHFFFAOYSA-N 309.309 3.285 0 40 DGAB COc1cc(C(=O)N[C@H](C)Cc2ccccc2)cc(Cl)n1 222641 IOSXCLXBZVUHFK-LLVKDONJSA-N 304.777 3.105 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)Nc1nccs1 2622385 OWMLEEOHCJNPNI-UHFFFAOYSA-N 302.277 3.179 0 40 DGAB Cn1cnnc1SCc1ncc(-c2ccccc2Cl)o1 78876775 UHFAEFHIOLQUMN-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB COc1cc(CCC(=O)OCCc2ccccc2)ccc1O 2577042 WIFYZABKZFNDFC-UHFFFAOYSA-N 300.354 3.119 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1C 3264283 QXBRWLHVZKTYAL-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CNc1nc(-c2ccc3c(c2)CCN3C(=O)C(C)C)cs1 4968474 QTJBSNGOBKZHTH-UHFFFAOYSA-N 301.415 3.397 0 40 DGAB COc1ccc(CCN[C@H](C)C(=O)c2ccc(OC)cc2)cc1 21981511 HFSPRQVIZBSDKD-CQSZACIVSA-N 313.397 3.107 0 40 DGAB C[C@H]1CCN(Cc2cnc3ccc(Br)cn23)[C@@H]1C 91859343 BCTBNTYTPHDQTE-WDEREUQCSA-N 308.223 3.327 0 40 DGAB COc1cccc(C(=O)Nc2nc(-c3ccccc3)ns2)c1 2889436 VQXKDAYFGMCNQL-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB C[C@@H]1CCC[C@@H](NCc2ccccc2CS(C)(=O)=O)[C@@H]1C 97080733 PDVMMRMQRQRNPA-CKEIUWERSA-N 309.475 3.146 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@H](C)OCC(F)(F)F)sc2C1 42848091 HIJGKEDFGNGZME-YUMQZZPRSA-N 322.352 3.174 0 40 DGAB Cc1ccc(C(=O)C2CCN(C(=O)c3cccnc3)CC2)c(C)c1 24451576 BOLLBYXSZLSSLY-UHFFFAOYSA-N 322.408 3.434 0 40 DGAB CC(=O)N[C@@H]1C(=O)N(CCc2ccccc2)c2c(C)ccc(C)c21 100485631 MZWAIPSEVBBYKK-SFHVURJKSA-N 322.408 3.070 0 40 DGAB O=C1OC2(CCNCC2)CN1c1ccc(Cl)cc1Cl 71789013 FEVORZJCVGQUKH-UHFFFAOYSA-N 301.173 3.072 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)NCc1cn2ccccc2n1 12602688 XVMVHTHRNLOGQL-UHFFFAOYSA-N 319.408 3.072 0 40 DGAB C[C@H](NC(=O)N[C@H](CO)c1ccccc1)c1cccc(F)c1F 97048338 PWLRSECACMNMPM-XHDPSFHLSA-N 320.339 3.059 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1C[C@H]2CC[C@H]1C2 109029246 XOFPARRMSVVCOW-OKYOBFRVSA-N 312.457 3.203 0 40 DGAB C[C@@H](NCc1cccc(-c2cnn(C)c2)c1)c1cccc(CO)c1 96493961 SEGLTTNBJUKIRS-OAHLLOKOSA-N 321.424 3.430 0 40 DGAB O=C1CCCC[C@@H]1Sc1nnc(-c2ccc3c(c2)OCO3)o1 3305699 FFZKVCFIPQKAME-ZDUSSCGKSA-N 318.354 3.069 0 40 DGAB O=C(/C=C/c1cnc2ccccc2n1)NCCc1cccs1 44866372 RUGMZKPTAAKUNY-BQYQJAHWSA-N 309.394 3.063 0 40 DGAB C[C@@H](CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 58391644 QRBXIJFRLAVZNN-STQMWFEESA-N 322.399 3.344 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)cc1 3388277 BWJIAVHFCWEXJD-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1cccc(F)c1 20138101 KYBKUVRVZNPHGE-UHFFFAOYSA-N 323.707 3.438 0 40 DGAB Cc1nc(CCNC(=O)N2CC[C@H]2c2ccccc2)cs1 45489134 QNGIZFQYEKRAPE-HNNXBMFYSA-N 301.415 3.151 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)NC1CCC(O)CC1 45548756 CNUPKOPYBMHLAB-UHFFFAOYSA-N 316.854 3.237 0 40 DGAB Cc1ccc(CN(C)Cc2csc(-c3ncccn3)n2)o1 48313790 UDWNVSYGUQVZDU-UHFFFAOYSA-N 300.387 3.134 0 40 DGAB COc1ccc(OC)c([C@H](O)Cn2c(C)nc3ccccc32)c1 48333093 ZNRPRVOJCIGPQC-QGZVFWFLSA-N 312.369 3.096 0 40 DGAB Cc1ccc(OCCNC(=O)c2ccc3ncsc3c2)cc1 18074954 MYIMJJMVIVFSAQ-UHFFFAOYSA-N 312.394 3.414 0 40 DGAB CS[C@@H](C)C(=O)/N=c1\sccn1Cc1ccc(C)cc1 36848672 KZOCATJTTUIZMD-SUQMRRJOSA-N 306.456 3.085 0 40 DGAB CN(C)c1ccc(C(=O)Nc2ccc3c(c2)OCCCO3)cc1 11758732 ZSJULNQQIUZWCG-UHFFFAOYSA-N 312.369 3.166 0 40 DGAB CC(C)N(C(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C(C)C 27936666 NHNMBYYOUOZDTE-UHFFFAOYSA-N 317.355 3.425 0 40 DGAB Cc1cccc(NC(=O)CCCNC(=O)c2ccsc2)c1 12997634 HBAFOOZRVSYQIW-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB O=C(CSc1cccc2cccc(Cl)c12)N1CCOCC1 8750264 UNNSTLJBYBXXGW-UHFFFAOYSA-N 321.829 3.444 0 40 DGAB Cc1c(Br)c(C)n2ccnc2c1Br 39085991 IKLFIQUDOCMFKP-UHFFFAOYSA-N 303.985 3.476 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1Cl)c1cccnc1 39292287 AFUKSYQXJRYIBD-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB COc1ccc(NC(=O)CSc2cc(C)ccc2C)cn1 5898635 LOUZGSVSVZDXKF-UHFFFAOYSA-N 302.399 3.438 0 40 DGAB O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1cccnc1 5902054 OERHVYIWTPSORX-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB C[C@H](N[C@@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 90115370 SNIXEVLTEKCKJS-GDZNZVCISA-N 313.376 3.065 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1cccc(Cl)c1 68300363 SPJOIAZXPUFJKS-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB COc1cccc(CCC(=O)Nc2cccc(F)c2)c1OC 8274787 TVTCECXMKDNFHW-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1cccs1 8392572 WSVIKTUTHPODPT-NSHDSACASA-N 311.453 3.264 0 40 DGAB CN1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 69512780 MPKNRTYWZPEPOM-CHWSQXEVSA-N 321.490 3.139 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccccc1CN1CCSCC1 69527513 GTDMUADAQRINFJ-CYBMUJFWSA-N 307.463 3.155 0 40 DGAB C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC12CCNCC2 70254017 ZJXORVNBMHJCTO-JSGCOSHPSA-N 306.837 3.249 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)C[C@H](C)n1cccc1 71872152 YUZJNBUOUZDXIE-XJKSGUPXSA-N 314.433 3.153 0 40 DGAB Cc1ccc2cc(COC(=O)C3=COCCO3)c(Cl)nc2c1 9643553 YTAANUMREIHMDI-UHFFFAOYSA-N 319.744 3.128 0 40 DGAB Cc1nnc(CN[C@H](C)c2nc(-c3ccccc3)cs2)o1 97112171 ZABHJGJBWGAUIY-SNVBAGLBSA-N 300.387 3.352 0 40 DGAB C[C@H](C(=O)N1CCC[C@H](c2nccs2)C1)N1CCCCCC1 72300312 AOTPZTFIZZQXID-CABCVRRESA-N 321.490 3.114 0 40 DGAB CC[C@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1noc(C)n1 95409979 NIUDBYCXYJQUBD-MFKMUULPSA-N 318.377 3.357 0 40 DGAB CCNC(=O)COc1ccc(CNc2cc(F)cc(F)c2)cc1 95428617 CUFFDFDSMFWNAH-UHFFFAOYSA-N 320.339 3.092 0 40 DGAB COc1cccc(-n2cnnc2S[C@H](C)C(F)(F)F)c1 95427169 DQQZVYBSRLOCAL-MRVPVSSYSA-N 303.309 3.319 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N(Cc1cccnc1)C1CC1 84967844 CFVDWJVVFAJTAF-ZDUSSCGKSA-N 313.426 3.148 0 40 DGAB O=C(Nc1ccccc1)N1CCOC[C@@H]1c1ccc(F)cc1 74561201 OAGZSBNLWDLWGA-MRXNPFEDSA-N 300.333 3.431 0 40 DGAB C[C@@H](CO)CS[C@H](C)C(=O)Nc1cc(Cl)ccc1F 74788154 SLDDLFUIGHKUSO-DTWKUNHWSA-N 305.802 3.168 0 40 DGAB O=C(c1ccco1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 89368271 HCZCDPJWCOBDQA-CQSZACIVSA-N 323.295 3.095 0 40 DGAB O=C1CCc2cc(C(=O)NCCCCc3ccccc3)ccc2N1 9952772 XFIDFGQGCKOOBJ-UHFFFAOYSA-N 322.408 3.324 0 40 DGAB O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@@H](CO)C1 75128204 NPXXFUQODMZOFQ-CXAGYDPISA-N 320.408 3.081 0 40 DGAB C[C@@H](c1ccco1)N(C)S(=O)(=O)C[C@H](C)c1ccccc1 89904096 HEINPJFKLRKWRJ-KBPBESRZSA-N 307.415 3.406 0 40 DGAB CC(C)(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)O)s1 31976137 KEZPAVLDYQXCHG-UHFFFAOYSA-N 318.398 3.422 0 40 DGAB O=C(Cc1cccs1)Nc1nnc(-c2cccc(F)c2)o1 38552599 FERZGGDXMBTTAP-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB Cc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 32752065 PVUMVCKUTBPLLF-FOWTUZBSSA-N 317.348 3.443 0 40 DGAB c1ccc2[nH]c([C@H]3CCN(Cc4ccc5c(c4)OCO5)C3)nc2c1 35446646 MNYRALFGCJGOCW-AWEZNQCLSA-N 321.380 3.281 0 40 DGAB biogenic,in-vitro CCn1nc(C)c(CNC(=O)Nc2cncc(Cl)c2C)c1C 574649755 NLECWWHCPDPHKV-UHFFFAOYSA-N 321.812 3.198 0 40 DGAB C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCO[C@]2(CCSC2)C1 136504497 DARSEEMOAJENPX-QGPMSJSTSA-N 321.486 3.358 0 40 DGAB CCc1ccccc1C[C@H](Oc1ccccc1OC)C(=O)O 225040511 BMMSHVDTIVYFOB-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB COc1ccc(C[C@H](C)Nc2ccc3c(c2)OCC(=O)N3)cc1 136916245 BKNTVMCGRUZYFX-LBPRGKRZSA-N 312.369 3.069 0 40 DGAB COCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 224398432 UEUVXSOZESIHAC-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CC[C@@H](C)[C@H](C)C(=O)Nc1ccc2c(c1)CCC(=O)N2COC 194098427 CVZPANZSTPJWRV-OLZOCXBDSA-N 318.417 3.190 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)c(C)c2)cc1 225605847 AZDSONQIFQPEHW-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB CCO[C@H]1C[C@H](NCCc2cn3c(n2)CCCC3)C12CCCC2 96493350 AZHRFBZNJWBEAJ-IRXDYDNUSA-N 317.477 3.089 0 40 DGAB CCc1cnc([C@H](C)NCc2nc(-c3ccco3)no2)s1 96502758 NRQIGSDOSIMTAG-VIFPVBQESA-N 304.375 3.199 0 40 DGAB Cn1nncc1CNc1ccc(Oc2ccc(Cl)cc2)nc1 96495382 RTLVMSCYNFGZCP-UHFFFAOYSA-N 315.764 3.268 0 40 DGAB Cc1cccc(OC[C@H](O)CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 245239733 BDHQHVKEOGPBOF-CWLGOENISA-N 303.446 3.149 0 40 DGAB COc1ccc([C@H]2[C@H](C(=O)O)CCC(=O)N2CC(C)(C)C)cc1 584906733 XFVGVWSDMFNNSS-ZBFHGGJFSA-N 319.401 3.106 0 40 DGAB CCn1nccc1-c1nccnc1CC1CCN(C(C)C)CC1 257243519 IHIXAKBECCBUHN-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB Cc1nc([C@@H]2CCCCN2C(=O)c2ccccc2)cc2cncn12 257228290 FTHVJJNQLYLXQT-SFHVURJKSA-N 320.396 3.405 0 40 DGAB Cc1ccsc1C(=O)N(C)[C@H]1CCCN(c2ccccn2)C1 257308502 TWXZJWUVCMNXQP-AWEZNQCLSA-N 315.442 3.193 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3sc(C)nc3C)CC[C@@]2(C)C1 257282256 OTAWJCYQWFOBEU-IOASZLSFSA-N 308.447 3.180 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCOc1ccccc1 257223931 DZOYGFGZOYHXFT-MRXNPFEDSA-N 313.401 3.241 0 40 DGAB O=C(c1cccc(CN2CCCC2)c1)N1CCc2ccccc21 60549755 VWFNERMDXBVZBN-UHFFFAOYSA-N 306.409 3.485 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2 106150964 MSXJMLGAEHZTPB-YQQAZPJKSA-N 309.413 3.233 0 40 DGAB C[C@@H](CNC(=O)Nc1ccccc1Cl)CC1(C)OCCO1 96448246 CKKGJVHMARIFDS-LLVKDONJSA-N 312.797 3.251 0 40 DGAB COc1ccc(NC(=S)NC(=O)Cc2ccccc2)cc1C 5613293 GHWFKUAEKMUUGD-UHFFFAOYSA-N 314.410 3.059 0 40 DGAB CCCC1=NN(C(=O)c2cc(C)cs2)[C@](O)(C(F)(F)F)C1 5015741 DTGXCDQOKBYMHM-GFCCVEGCSA-N 320.336 3.309 0 40 DGAB CC(C)(C)[C@@H]1CC(C2=C(O)C(=O)OC2)=NN1c1ccccc1 5354109 NSNAFOBGDDPLOT-AWEZNQCLSA-N 300.358 3.036 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)OC/C=C/c2ccccc2)c1C 14066521 OGBBIYXAIDESNU-JXMROGBWSA-N 313.353 3.288 0 40 DGAB CCCn1c(CN2C[C@@H]3CCCN3C[C@@H]2C)nc2ccccc21 19526006 XIXUFCARCVYXMU-HOTGVXAUSA-N 312.461 3.115 0 40 DGAB C[C@H](C1CC1)n1cc(NC(=O)c2ccc(NC3CC3)nc2)cn1 548637053 SVPMHNPHQCOFLG-LLVKDONJSA-N 311.389 3.076 0 40 DGAB COc1cc2c(cc1OC)[C@H](CCc1c(C)noc1C)NCC2 12337065 YLRGSKMTUSMEON-INIZCTEOSA-N 316.401 3.128 0 40 DGAB COc1ccccc1O[C@@H](C)CNC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 551527371 LXQZTTRDQJVVIV-FLTUCWPJSA-N 303.402 3.015 0 40 DGAB Cc1cccc(NC(=O)N2CC(N3CCc4ccccc4C3)C2)c1 240068089 SIACHUMZNKBLER-UHFFFAOYSA-N 321.424 3.269 0 40 DGAB c1ccc(OCCN2CCC(Oc3nccs3)CC2)cc1 2087137408 LMDBXFMNHVMSKZ-UHFFFAOYSA-N 304.415 3.065 0 40 DGAB Cc1cc(O)nc2nnc(SCc3ccc(Cl)cc3)n12 4250020 IFLGTBRTDCETLP-UHFFFAOYSA-N 306.778 3.084 0 40 DGAB CCOCCO[C@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 40157275 ZQUKEDUNQLBSRI-CQSZACIVSA-N 321.417 3.388 0 40 DGAB CN(Cc1cccs1)C(=O)[C@H]1Cc2cc(Cl)ccc2O1 31526134 RTZPIIDAGJPMGF-CQSZACIVSA-N 307.802 3.364 0 40 DGAB O=C(Nc1ccccc1N1CCc2ccccc21)c1cnccn1 31532063 QLHRBUAVJBTERX-UHFFFAOYSA-N 316.364 3.423 0 40 DGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H]2CCCC[C@H]2C1 40553229 IOBBQTBKVACFBM-ZFWWWQNUSA-N 311.385 3.389 0 40 DGAB c1ccc(-c2nc3c4cnn(-c5ccccc5)c4ncn3n2)cc1 206086 BTAJOXUREFILFP-UHFFFAOYSA-N 312.336 3.130 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2N(C)Cc1ccccc1 32124386 KTCPMDORVOBCFD-KRWDZBQOSA-N 313.353 3.005 0 40 DGAB biogenic COc1ccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(OC)c1 102192079 RDOIINCSTNEFQC-DVZHBHJUSA-N 303.402 3.258 0 40 DGAB COc1cc(NC(=O)[C@H]2CC2(Cl)Cl)c(OC)cc1Cl 21320725 OWAQIIHNXHTTNV-ZCFIWIBFSA-N 324.591 3.490 0 40 DGAB O=c1[nH]c2ccccc2nc1-c1ccc(Br)s1 129243 NLNYYWLKKSJTND-UHFFFAOYSA-N 307.172 3.414 0 40 DGAB Cc1ccccc1C(=O)Nc1cccc(N2CCCNC2=O)c1 76059447 NVTJTZYVVWTSGG-UHFFFAOYSA-N 309.369 3.167 0 40 DGAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1)c1ccc(F)cc1 1369702 KMBPKEFRAXNVLW-IRXDYDNUSA-N 302.393 3.103 0 40 DGAB COc1cccc(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C)c1OC 32863287 BVJKTIOFESNBFT-ZFWWWQNUSA-N 320.433 3.424 0 40 DGAB O=C(Nc1ccc2ccccc2n1)[C@@H]1CCN1Cc1ccccc1 78875631 JJXUAVVCQSRDTI-SFHVURJKSA-N 317.392 3.448 0 40 DGAB COC(=O)c1csc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 79110522 CLHZHJZBERIBSL-VIFPVBQESA-N 308.359 3.353 0 40 DGAB COc1ccc2cc(CN[C@H]3CCCC[C@@H]3C)c(=O)[nH]c2c1 4130509 XRNWYVIHEPPHAR-LRDDRELGSA-N 300.402 3.205 0 40 DGAB O=C(O)c1c[nH]c2cc(Br)c(Br)cc12 4219119 ZUKDDHPPAUVCRA-UHFFFAOYSA-N 318.952 3.391 0 40 DGAB biogenic O=C(CSc1nnc(-c2ccccc2F)o1)NC1CCCC1 415733 RSMHANVQWNDZTN-UHFFFAOYSA-N 321.377 3.027 0 40 DGAB COC(=O)CCCCCNC(=O)c1cccc(C(F)(F)F)c1 41300810 ISZGEMJHCMXGPZ-UHFFFAOYSA-N 317.307 3.169 0 40 DGAB Cc1cc(C(=O)CCC(=O)NCc2ccccn2)c(C)s1 7737667 KXXBZBGOSUQPFU-UHFFFAOYSA-N 302.399 3.039 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1Cl 569337 JULKFFBMLYLNJO-UHFFFAOYSA-N 318.760 3.090 0 40 DGAB COC(=O)COC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 22987954 QYPDCRGWQVZKND-UKTHLTGXSA-N 320.341 3.144 0 40 DGAB CC(C)(C)c1nnc(SCc2nc(-c3ccco3)no2)o1 42569588 KFAJRMKKPNCFJX-UHFFFAOYSA-N 306.347 3.302 0 40 DGAB COc1ccc([C@@H]2Nc3nonc3N=C3CCCC(O)=C32)cc1 102739267 YPPBJUPGHSTQPW-AWEZNQCLSA-N 312.329 3.314 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(Cl)o1 25192653 HCTWAHPHMMQVFK-UHFFFAOYSA-N 319.744 3.313 0 40 DGAB C[C@@H](C[C@@H](O)c1ccco1)NC(=O)N[C@H](C)Cc1ccsc1 108105492 JBFSMOKKJNXOLM-MBNYWOFBSA-N 322.430 3.084 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1C 44874650 VOWBIHLVDUMWFQ-MRXNPFEDSA-N 320.396 3.323 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)CCc2cccc(F)c2F)cc1 58281926 IKWZQUIFUHLNJX-MRXNPFEDSA-N 319.351 3.056 0 40 DGAB Cc1ccsc1C(=O)N1C[C@H]2CC[C@H]1[C@H]2Oc1cccnc1 107265810 AIPADIHYYQYROV-SNPRPXQTSA-N 314.410 3.134 0 40 DGAB O=C(COC(=O)c1ccccc1SC(F)F)c1ccc[nH]1 12615334 VCGDJHGKONYTNQ-UHFFFAOYSA-N 311.309 3.369 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1cc(Cl)c2c(c1)OCCCO2 29383544 RVHISDBJVLVFPU-UHFFFAOYSA-N 321.804 3.420 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cncn1-c1ccccc1 11750231 CJUUHCBZLWOJJM-UHFFFAOYSA-N 317.392 3.334 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1ccc(C(=O)O)cc1 13166702 MVDWBWVLHFNRGM-UHFFFAOYSA-N 305.330 3.255 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2Cl)nc1 4113214 IMNYDJXLPRMHSZ-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCO1 64467409 IGGUYQYCTADMQY-LBPRGKRZSA-N 301.358 3.139 0 40 DGAB CC(C)Cc1nc2oc3c(=O)n(C)cnc3c2c2c1CCCC2 13691802 ACZBHCMUYSSGTM-UHFFFAOYSA-N 311.385 3.152 0 40 DGAB Cc1ccc2nc(CSc3nccn3C(C)C)cc(=O)n2c1 8719783 OPSYWQHJCJCEJE-UHFFFAOYSA-N 314.414 3.073 0 40 DGAB O=C(NCC(F)(F)F)[C@@H]1C[C@@H]1c1ccccc1Br 65606285 CFWPFAGYMZRSRF-RKDXNWHRSA-N 322.124 3.231 0 40 DGAB COc1ccc(CNC(=O)c2cccc(OC(F)F)c2)cc1 5681066 VWMBBGDTFFWUAV-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB Cc1nc(-c2ccccc2)sc1NC(=O)c1cncc(O)c1 96011174 BCKMYDORQTUKKI-UHFFFAOYSA-N 311.366 3.471 0 40 DGAB CS[C@H](C(=O)Nc1cc(-c2ccncc2)n[nH]1)C(C)(C)C 96011057 ZFVMYADEDRWUJG-CYBMUJFWSA-N 304.419 3.188 0 40 DGAB Cc1ccn2cc(C(=O)N3CCC[C@@H](C(F)(F)F)C3)nc2c1 9154731 KYMAJXPBBRUXMH-LLVKDONJSA-N 311.307 3.057 0 40 DGAB O=C(Oc1ccc2oc3ccccc3c2c1)c1ccc(=O)[nH]c1 16043441 NWENTFWNUDCQIN-UHFFFAOYSA-N 305.289 3.494 0 40 DGAB C[C@@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NC1CCCC1 9367187 QEGMGFDRPRMVLF-MRVPVSSYSA-N 324.837 3.151 0 40 DGAB Clc1ccc([C@H](CNCc2ccncc2)n2cccn2)cc1 83476232 NCVXILCLRIFDPY-KRWDZBQOSA-N 312.804 3.311 0 40 DGAB CCN(CC)c1ncc(CN2CCO[C@@H](c3ccco3)C2)s1 93841141 BDCAORYKLJOOSO-OAHLLOKOSA-N 321.446 3.156 0 40 DGAB C[C@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1cccnc1 97143265 ZGRNJPUAWWTISE-JTQLQIEISA-N 322.315 3.003 0 40 DGAB Cc1n[nH]c(C)c1CNCc1cccnc1OC1CCCC1 97159335 WKPRPCOYWDTPGT-UHFFFAOYSA-N 300.406 3.033 0 40 DGAB Clc1cccc(Cn2cc(I)cn2)c1 19989101 XZQCNUSBJYMRMC-UHFFFAOYSA-N 318.545 3.189 0 40 DGAB Cc1nc([C@H](NC(=O)CSc2ccccc2C)C(C)C)n[nH]1 71916642 AQSSPXMNXBWXOI-OAHLLOKOSA-N 318.446 3.027 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1[C@H]1N=C(O)[C@@H]2CCCCN21 71967914 JTWHUIWPKYVNNU-WMZOPIPTSA-N 324.428 3.371 0 40 DGAB COc1c(C)cnc(COc2ccc(Cl)cc2C(N)=O)c1C 71907334 XRUOWFZHBTWNPC-UHFFFAOYSA-N 320.776 3.038 0 40 DGAB CCOc1cccc2cc([C@H](C)N[C@@H]3CCC(=O)N(C)C3)oc12 97034556 IKAFQMADPHBLLB-GXTWGEPZSA-N 316.401 3.103 0 40 DGAB CN1CCN(CCCN[C@H](c2ccccc2)C(C)(C)C)CC1 95398720 SLTVYWLCODPTMT-GOSISDBHSA-N 303.494 3.001 0 40 DGAB C[C@@H](c1ccccn1)N(C(=O)c1cccnc1Cl)C1CC1 75118101 ORBDNRPKBZTRBO-NSHDSACASA-N 301.777 3.496 0 40 DGAB Cc1noc(-c2ccc(C(=O)N3CCCc4ncccc43)cc2)n1 25674105 UCENVEQNXGOLRE-UHFFFAOYSA-N 320.352 3.033 0 40 DGAB O=C(NCCc1ccccn1)N1CCC[C@H]1c1cccs1 42992835 QLKAUFWUOFIDDN-AWEZNQCLSA-N 301.415 3.232 0 40 DGAB O=C(c1cccs1)N1CCC(c2nnc(C3CC3)o2)CC1 38670469 ZKKMZKUTFYKMDO-UHFFFAOYSA-N 303.387 3.028 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@H]2C=CCCC2)o1 129837763 BVGRBPQNWHFNDJ-ZFWWWQNUSA-N 304.390 3.381 0 40 DGAB CN(C)[C@H](CNC(=O)CCCc1ccccc1)c1ccco1 38629903 UPDCERSNLZCGNN-MRXNPFEDSA-N 300.402 3.021 0 40 DGAB Cc1nc(CNc2cc(Br)c(F)cc2F)no1 187966984 WTYIZLYHWHZEIV-UHFFFAOYSA-N 304.094 3.031 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)N2CCC(C)CC2)CC1 39767990 MPSIHSOQGWFHSP-UHFFFAOYSA-N 314.473 3.466 0 40 DGAB Cc1ccc(-n2nc(NCc3nc(CO)cs3)cc2C)cc1 1560416756 XRDDHQGQYBMQML-UHFFFAOYSA-N 314.414 3.050 0 40 DGAB Cc1ncc(C(=O)NC2(c3ccc(F)cc3F)CCC2)c(C)n1 182279171 WYHVZPOHNGSPEP-UHFFFAOYSA-N 317.339 3.181 0 40 DGAB Cc1csc(C2CCN(C(=O)[C@@]3(C)CCCCN3C)CC2)n1 72367313 VOMCGPWXMFWPMR-QGZVFWFLSA-N 321.490 3.032 0 40 DGAB C[C@H]1CN(C(=O)Cc2cccnc2)c2cccc(Cl)c2O1 189851485 LFKFEWANTJAKCA-NSHDSACASA-N 302.761 3.092 0 40 DGAB Oc1cc(Cc2ccc(F)cc2)nc2cc(-c3ccccn3)nn12 72391321 GGUIPHGQAWNDGV-UHFFFAOYSA-N 320.327 3.227 0 40 DGAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1F 72227536 ROKHSQSYZOFPDX-ZIAGYGMSSA-N 324.277 3.260 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](Cc2cncc3ccccc23)C1 72368657 RCCATBVLIFMETH-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB C[C@@]1(C(=O)Nc2ccccc2)Oc2ccc(Cl)cc2NC1=O 41549723 IDTDPYGWSUQXAL-INIZCTEOSA-N 316.744 3.068 0 40 DGAB Cc1noc(C)c1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 192137000 KSISSHJTRMEYAB-HOTGVXAUSA-N 308.328 3.189 0 40 DGAB Cc1cccc2nc(CNc3cccc(Cl)c3C(N)=O)cn12 83143373 VXVWHSKJEHOZAY-UHFFFAOYSA-N 314.776 3.007 0 40 DGAB COc1ccc([C@@H](CC(=O)OC(C)C)NC(=O)CC(C)C)cc1 40009875 MAOQDTHNKHOLDB-MRXNPFEDSA-N 321.417 3.240 0 40 DGAB CC[C@@H](C(=O)Nc1c(C)nc(N(C)C)nc1C)c1ccccc1 224294540 XDCGKUGUPCNHGA-OAHLLOKOSA-N 312.417 3.292 0 40 DGAB CSc1ccc(NC(=O)N(C)Cc2cnccn2)cc1F 96435404 BCWNXROHNCRTID-UHFFFAOYSA-N 306.366 3.002 0 40 DGAB Cc1nccn1CCCC(=O)Nc1ccnn1[C@H](C)CC(C)C 96420486 TZBBAAWKKRHYBE-CQSZACIVSA-N 317.437 3.414 0 40 DGAB CSc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1CCCS1 95427983 XFUNASUHMBZRTB-LBPRGKRZSA-N 319.455 3.428 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(OC)cc2)cc1 96635988 QJJUMDDUIJCOQD-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CSC[C@@H](C)CNC(=O)N[C@H](c1nc(C)cs1)C1CC1 96440193 PNJYHGGEFNLWJQ-CABZTGNLSA-N 313.492 3.201 0 40 DGAB Cc1ccccc1[C@H]1CN(C(=O)c2cscn2)[C@@H](C)CO1 96425677 VVDQGZPPRHPXIF-SWLSCSKDSA-N 302.399 3.054 0 40 DGAB CC1(C(=O)N2CCC(O)(c3cccc4cnccc34)CC2)CCC1 585087923 BOCZVFCYTKMDCF-UHFFFAOYSA-N 324.424 3.235 0 40 DGAB Cc1cc(-c2ncc(C)s2)nc(CC2CCN(C)CC2)n1 257287502 PQGLGACFFXIIJJ-UHFFFAOYSA-N 302.447 3.101 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H](c3ccncn3)C2)cc1 257239877 HRERDMDWGFNDGW-MRXNPFEDSA-N 319.412 3.246 0 40 DGAB CC(C)(C)[C@H]1CCCN(C(=O)c2cnn(-c3cccnc3)c2)C1 390833584 JTIPDBZSJGJATK-HNNXBMFYSA-N 312.417 3.166 0 40 DGAB c1cncc(O[C@@H]2CSC3(C2)CN(Cc2cccs2)C3)c1 585104655 KICKCCXMMSBHGF-AWEZNQCLSA-N 318.467 3.282 0 40 DGAB Cc1[nH]c2ccc(CNC(=O)c3cccnc3S)cc2c1C 65216692 HCJTXDDDYSXUFV-UHFFFAOYSA-N 311.410 3.398 0 40 DGAB Cc1ccccc1CN1CCC[C@H]1c1cccc(CCC(N)=O)n1 72367124 YWWWIPZGCLRXPI-IBGZPJMESA-N 323.440 3.145 0 40 DGAB CC(C)n1cc(NC(=O)N[C@@H]2CCOC3(CCCC3)C2)cn1 98020595 OOMGHXBNSPGOOB-CYBMUJFWSA-N 306.410 3.077 0 40 DGAB C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl 95422825 NVMCDAQICBYVJN-ZJUUUORDSA-N 301.217 3.265 0 40 DGAB O=S(=O)(c1ccccc1Cl)N1CCC2(CC1)CC2(F)F 651859157 WQEOTSFEILUXBR-UHFFFAOYSA-N 321.776 3.150 0 40 DGAB CCCCC(=O)NC(=S)Nc1ccccc1OC(F)F 14257740 XPMFTBNTGONTCB-UHFFFAOYSA-N 302.346 3.291 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCSCc2ccco2)c1 14400705 ZLGHMVOCWYGKFV-UHFFFAOYSA-N 319.426 3.325 0 40 DGAB O=C1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 9883517 VOCRLJTYJFIQER-UHFFFAOYSA-N 307.393 3.400 0 40 DGAB Fc1ccccc1CN1CCC(Oc2ncc(Cl)cn2)CC1 1888856507 FMJSAJFJATXZAK-UHFFFAOYSA-N 321.783 3.313 0 40 DGAB CN1C(=O)CN2CCc3ccccc3[C@@H]2c2cc(Cl)ccc21 36387477 YAQKGZXXQNKEET-GOSISDBHSA-N 312.800 3.264 0 40 DGAB in-man Cc1cccc(C)c1Nc1ncnc2c1ncn2C[C@H]1CCCO1 2087045485 NDYUXHXAGQSJLL-CQSZACIVSA-N 323.400 3.366 0 40 DGAB O=C(CCS(=O)(=O)c1ccccc1)Nc1cccc(Cl)c1 4325602 JKNHZHWFRITODI-UHFFFAOYSA-N 323.801 3.143 0 40 DGAB CS(=O)(=O)c1nc2ccccc2n1Cc1ccc(Cl)cc1 4304813 OEVZTXONWCKGCS-UHFFFAOYSA-N 320.801 3.142 0 40 DGAB Fc1cc(F)cc(CN2CCC(Oc3nccs3)CC2)c1 2086884554 JPHKVXKBQUSTLG-UHFFFAOYSA-N 310.369 3.465 0 40 DGAB C[C@@H](OC(=O)CC[C@@H](N)C(=O)O[C@H](C)C(C)(C)C)C(C)(C)C 61943399 NWFOJMQOKNLKHC-JHJVBQTASA-N 315.454 3.050 0 40 DGAB CCN(C(=O)CN(Cc1ccccc1)[C@H](C)C1CC1)C1CC1 40120227 CWCBFRXLZYJQLZ-OAHLLOKOSA-N 300.446 3.298 0 40 DGAB O=C(C[C@@H]1CCCO1)NCCc1ccc(Cl)cc1Cl 40107304 JTILEIPDCYJVKU-LBPRGKRZSA-N 302.201 3.221 0 40 DGAB O=C(NCCc1cccnc1)C1(c2cccc(Cl)c2)CC1 30617207 GFMZUODGDMPBFE-UHFFFAOYSA-N 300.789 3.126 0 40 DGAB Cc1cc2ncn([C@@H]3CC(=O)N(c4ccccc4)C3=O)c2cc1C 100149041 HBKAPQOPQFMLMT-QGZVFWFLSA-N 319.364 3.158 0 40 DGAB COc1ccc(OC)c(NC(=O)N[C@@H](C)c2ccc(C)o2)c1 40526055 OMBWWDXIDZKALW-NSHDSACASA-N 304.346 3.488 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2ccccc2C)cc1 32736285 DQBZHNWYXGAOQU-CQSZACIVSA-N 310.397 3.122 0 40 DGAB CCOc1ccc(NC(=O)c2c(N)sc3c2CCC3)cc1 127206 UEEIPZMLRDMEJW-UHFFFAOYSA-N 302.399 3.470 0 40 DGAB Cc1cc(C)cc(NC(=O)COc2ncnc3sccc23)c1 2619244 CKPSXEWYMZDSTQ-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB Cc1csc(NC(=O)CN(C)Cc2cccc(Cl)c2)n1 32836165 SZMYAUPIVKYDLI-UHFFFAOYSA-N 309.822 3.175 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc3cc(F)ccc3o2)[C@@H](C)C1 78897535 BMMHAQMJIKXXJH-BLLLJJGKSA-N 318.392 3.309 0 40 DGAB CCN(CC)C(=O)NCCC(=O)Nc1cccc(Cl)c1C 69514210 SBNASMYSXBELPS-UHFFFAOYSA-N 311.813 3.028 0 40 DGAB CCOC(=O)c1cnn(-c2ccc(OC)cc2)c1C(F)(F)F 2540358 AKJLMZLGGRBYEM-UHFFFAOYSA-N 314.263 3.076 0 40 DGAB Cc1cc(C(=O)NCCCn2cc(Cl)c(C)n2)sc1C 2732477 FKOSRSZVRXRREG-UHFFFAOYSA-N 311.838 3.343 0 40 DGAB CCN(CC)c1nc(NC#N)nc(Nc2ccc(Cl)cc2)n1 495066 JYQJTNPRPNGHNI-UHFFFAOYSA-N 317.784 3.008 0 40 DGAB O=C(Nc1cc(F)ccc1F)N1CCc2ccc(O)cc2C1 69570183 NMJLKGLPMAGZSZ-UHFFFAOYSA-N 304.296 3.261 0 40 DGAB Fc1ccc(-c2nnc3n2N=C(c2ccccc2)CS3)cc1 531469 ZUCIFNFFZNGTPB-UHFFFAOYSA-N 310.357 3.442 0 40 DGAB CC(C)CNC(=O)CS[C@@H]1CCc2ccccc2N=C1O 12322989 BEAMTBIDVOVKJL-CQSZACIVSA-N 306.431 3.095 0 40 DGAB O=S(=O)(c1ccc(F)cc1)c1snnc1-c1ccccc1 3111146 GBVYDHSHLMCCLB-UHFFFAOYSA-N 320.370 3.177 0 40 DGAB C[C@H](Sc1ncc2ccccn12)C(=O)N(C)c1ccccc1 12529445 ULYCFTBEVCBPTH-ZDUSSCGKSA-N 311.410 3.478 0 40 DGAB O=C(CN[C@@H](c1ccc(F)cc1)C1CCC1)NC1CCCC1 104705613 VOHWXHZNOLCVRU-GOSISDBHSA-N 304.409 3.315 0 40 DGAB CCC(=O)c1ccc(OCc2cc(=O)n3c(C)cccc3n2)cc1 24696917 WVACDOSHEOIZOL-UHFFFAOYSA-N 322.364 3.175 0 40 DGAB CNC(=S)N[C@H](c1ccc2c(c1)CCC2)c1cccs1 17457852 UDYWMOXCKZFNOW-OAHLLOKOSA-N 302.468 3.420 0 40 DGAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1Cc1ccc(F)cc1 106690764 GPQSGAAJVDXMSA-JYRVWZFOSA-N 302.330 3.390 0 40 DGAB CCc1sc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1C 43584147 IWWQAVBASKXBBO-GFCCVEGCSA-N 309.431 3.336 0 40 DGAB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1 107146010 LFQOHPIILKAARM-JKSUJKDBSA-N 320.458 3.044 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2c(C)[nH]c3ccccc23)cc1 25556250 HQMZLCJBERKXOY-UHFFFAOYSA-N 321.380 3.365 0 40 DGAB O=C(NCc1ccc(F)cc1)Nc1cccc(-c2nnco2)c1 44087357 RVNDWFYYAMJLES-UHFFFAOYSA-N 312.304 3.197 0 40 DGAB CC(=O)C(SC(=S)Nc1ccccc1Cl)C(C)=O 100034006 OOFUXLDJLHUCTO-UHFFFAOYSA-N 301.820 3.317 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccccc2CC)o1 20033864 XULCQQYXFPMCLA-UHFFFAOYSA-N 305.403 3.315 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3C[C@H](C)O[C@@H](C)C3)sc2n1 10091840 PNXNBDGJXHVFJR-RYUDHWBXSA-N 318.442 3.471 0 40 DGAB NC(=O)[C@H](Nc1cccc(COCC2CC2)c1)c1ccccc1 58166452 KNVISSAQKDXLKX-GOSISDBHSA-N 310.397 3.252 0 40 DGAB C[C@@H](NC(=O)CN1CCC[C@@H]1c1ccsc1)c1ccco1 44937869 SFMSFFXHUCBFQF-TZMCWYRMSA-N 304.415 3.355 0 40 DGAB CC[C@@H](C)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58306748 QQXWNIPXCRNBHT-CYBMUJFWSA-N 308.385 3.083 0 40 DGAB Cc1c(NCc2nc(C(C)C)no2)cccc1N1CCCC1=O 58404450 MSFKOPZAGJIFMK-UHFFFAOYSA-N 314.389 3.240 0 40 DGAB CC(=O)Nc1cc(C(=O)Nc2nc3ccccc3[nH]2)ccc1C 36390628 WSLCPNLBVTTYBE-UHFFFAOYSA-N 308.341 3.082 0 40 DGAB CONC(=O)c1sc(-c2ccc(C(F)(F)F)cc2)nc1C 12851198 MWMZMWZYGBGIQZ-UHFFFAOYSA-N 316.304 3.429 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccc(Cl)cc2)on1 11251198 RLVTVKZWZWKFFG-NSHDSACASA-N 307.781 3.095 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1C 11359882 QZGVGEMLRUIUCP-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1cc(C)c(CNC(=O)c2csc3ccccc23)c(=O)[nH]1 26952601 QYRCTCFHOIRQNY-UHFFFAOYSA-N 312.394 3.136 0 40 DGAB CCOC(=O)CCCC(=O)c1ccc(CN2CCCC2)cc1 2514597 BDZZGBACQGNQRO-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB CS(=O)(=O)Cc1ccc(CNCc2ccccc2Cl)cc1 48779521 BZEMCEXSJQVMDB-UHFFFAOYSA-N 323.845 3.174 0 40 DGAB Cc1cccc(OC(F)F)c1NC(=O)N[C@H](CO)CC(C)C 69874475 PIILGNXNGOODHT-NSHDSACASA-N 316.348 3.125 0 40 DGAB Cc1ccccc1-c1csc(=O)n1Cc1ccc(C(N)=O)cc1 69893729 GLLRVZIJDMNLIV-UHFFFAOYSA-N 324.405 3.032 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C)cc1C 6064211 HRWFCCCNAYJKET-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2cccc(C)c2)cc1 8915682 JQUUBVDOPNODHK-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccccc1F 7509475 LHPWRQLIMRLMAA-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Fc1cc2c(c(CN3CCC[C@@H](C(F)(F)F)C3)c1)OCOC2 16047112 CSZGTLVJGUBFNM-GFCCVEGCSA-N 319.298 3.467 0 40 DGAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1cccc(F)c1 7940428 FXSFLMSLUMGHOO-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB O=C(C1CC1)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 69107152 ZYEHSHKOXYARIH-UHFFFAOYSA-N 317.776 3.291 0 40 DGAB O=C(Nc1cc(-c2ccc(F)cc2F)no1)c1cscn1 81783589 DZGMJDHZMVMTEA-UHFFFAOYSA-N 307.281 3.329 0 40 DGAB CN(Cc1ccccc1F)C(=O)c1cc(Cl)c2c(c1)OCO2 8305510 WXSQQFBJNHNXHM-UHFFFAOYSA-N 321.735 3.480 0 40 DGAB O=C(c1ccccc1Nc1ccc(F)cc1)N1CCOCC1 9533512 FVFQFRAYIIVEIJ-UHFFFAOYSA-N 300.333 3.042 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N2CCC[C@@H](CO)C2)cc1 71803480 QMMBRAPRLIJEEB-UONOGXRCSA-N 322.474 3.274 0 40 DGAB Cc1ccccc1N1C[C@@H](C(=O)N[C@H](C)c2ccccc2)CC1=O 9698712 ZMUYTMNDRRUCKD-WBVHZDCISA-N 322.408 3.225 0 40 DGAB CC[C@H](N[C@@H]1C[C@H](C)OC1=O)c1ccc(Br)cc1 97032997 GYHIEGIWQUZWGF-TVYUQYBPSA-N 312.207 3.194 0 40 DGAB CN(Cc1ccc(Cl)c(F)c1)C(=O)NOCc1cccnc1 95447410 YJBRGSMOVJUZCU-UHFFFAOYSA-N 323.755 3.147 0 40 DGAB C[C@H](NC1CCN(C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 95968091 ULCJAOGYZDLYKO-IFXJQAMLSA-N 320.452 3.244 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)Nc1nc2cc(F)ccc2n1C 75360643 ZCVHNKHCSQNTTC-HNNXBMFYSA-N 319.380 3.389 0 40 DGAB O=C(Nc1cc(Cl)ccc1O)c1cc(-c2ccco2)[nH]n1 28230722 NPVVDAZTZJQAOD-UHFFFAOYSA-N 303.705 3.281 0 40 DGAB CC(=O)Nc1cccc(NC(=O)Cc2cccc(Cl)c2)c1 67786914 RXPPVEBMFFXICK-UHFFFAOYSA-N 302.761 3.480 0 40 DGAB O=C(Nc1cccc(Cl)c1)c1ccc(N2CCCCC2)nn1 75172644 IEHWTEXRXREBIJ-UHFFFAOYSA-N 316.792 3.373 0 40 DGAB c1ccc(Nc2nc([C@H]3CCCN3c3ncccn3)cs2)nc1 72384824 TWEFKUFBSZMDET-CYBMUJFWSA-N 324.413 3.413 0 40 DGAB CC[C@@H](C(=O)NCC[C@H](O)c1cccs1)c1ccccc1 77113522 QHBOMKFQRHSROC-CABCVRRESA-N 303.427 3.482 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 39975567 VWNLFXBAHGROFL-ZDUSSCGKSA-N 321.442 3.042 0 40 DGAB C[C@H](NC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1)C(=O)N1CCCCC1 78569112 HGWWFWDPESEGLQ-PMPSAXMXSA-N 322.493 3.356 0 40 DGAB C[C@@H]1CCc2nc3ccccc3c(C(=O)NC[C@H]3CCCO3)c2C1 36770134 MDVPPOPTIVEUGX-ZIAGYGMSSA-N 324.424 3.268 0 40 DGAB CC(=O)CC[C@@H](C)CCCc1cccc(C(=O)O)c1C(=O)O 219398135 TVCWEUOMMJRDSK-NSHDSACASA-N 306.358 3.411 0 40 DGAB O=C(NCC[C@@H](O)c1cccs1)c1ccc(Cl)s1 77113492 OLUJFWOALYINNR-MRVPVSSYSA-N 301.820 3.317 0 40 DGAB C[C@H](c1nccs1)N1CCC(NC(=O)OC(C)(C)C)CC1 72203937 PNSFMJVXACABTQ-LLVKDONJSA-N 311.451 3.193 0 40 DGAB Cc1occc1-c1nc(N2CCCC2)ncc1-c1cnccn1 72396873 QDKZLKFUSKZWTP-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB Cc1cccc(CNC(=O)c2ccc(Cn3ccnc3C)cc2)c1 44912419 FKEVINCSFBBXLS-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CCOC(=O)c1nc(-c2ccccc2Br)[nH]c1C 42435611 XUHHBQIYHHQSBU-UHFFFAOYSA-N 309.163 3.324 0 40 DGAB O=C(c1cccnc1)N1CCC[C@H](c2cc(F)ccc2F)C1 191204850 BYIQAVRKPGQARN-ZDUSSCGKSA-N 302.324 3.380 0 40 DGAB COc1ccc(NC(=O)NCCCOC(C)C)cc1Cl 40023845 YCLXDXSHJXQQOU-UHFFFAOYSA-N 300.786 3.285 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2Cl)nc1C(F)(F)F 89261800 WUITZJWCKUJKLU-UHFFFAOYSA-N 319.670 3.116 0 40 DGAB CCOc1ccc(NC(=O)[C@@](C)(CC)OC)c2cccnc12 225882634 NCNSFEJXVZPNEB-QGZVFWFLSA-N 302.374 3.387 0 40 DGAB C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)c1cnnc2ccccc12 529062827 CKVKEKBWDHDGHX-GXFFZTMASA-N 323.318 3.433 0 40 DGAB Cc1nc2cc(C(=O)O[C@@H](C)c3nccs3)ccc2n1C 97374857 VCMQVXYPGLUHKR-VIFPVBQESA-N 301.371 3.256 0 40 DGAB CCOCc1ccccc1NC(=O)N[C@@H]1CCCC[C@H]1OC 96434263 AGYYOXQSAFKDRD-HZPDHXFCSA-N 306.406 3.302 0 40 DGAB CO[C@@]1(CNC(=O)/C=C/c2ccc(SC)cc2)CCSC1 96120701 DXEDMNYNZZHIMM-CDVVCGDMSA-N 323.483 3.060 0 40 DGAB Cc1ccc(-c2n[nH]c3c2CCN(C(=O)C2(C)CC2)CC3)cc1 585110456 YETKRYZHVRXFTK-UHFFFAOYSA-N 309.413 3.112 0 40 DGAB COc1ccc(NC(=O)CSCCC(C)C)cc1NC(C)=O 56391690 BGOOMAKXNWQZLS-UHFFFAOYSA-N 324.446 3.371 0 40 DGAB COc1ccc(OC)c(CN(CCc2ccncc2)C2CC2)c1 69567708 BOJHWUMWRGJTRW-UHFFFAOYSA-N 312.413 3.306 0 40 DGAB CNc1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12292991 AFMXVCPQWAYWFR-UHFFFAOYSA-N 300.381 3.217 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2ccc(C)cc2)c1 13624160 VBQYBERORQGZAS-VAWYXSNFSA-N 308.381 3.397 0 40 DGAB COc1cc(C(=O)OC(C)C)ccc1OCc1c(C)noc1C 16222503 ZEZXVBFMNSATSJ-UHFFFAOYSA-N 319.357 3.444 0 40 DGAB COc1cccc(C2N3CCCN2CC3)c1OCc1ccccc1 19324076 KNAVQZCXSOCHRM-UHFFFAOYSA-N 324.424 3.294 0 40 DGAB C[C@@H]1CCC[C@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 4655389 FPQFYIAXQDXNOR-SXIUOJOQSA-N 320.385 3.371 0 40 DGAB endogenous,in-man CC[C@H](C(=O)NCC1(OC)CCSCC1)c1ccccc1 225593070 CXHOLVBIECDAED-HNNXBMFYSA-N 307.459 3.209 0 40 DGAB Cc1ccc(Nc2ncnc3c2ncn3C[C@H]2CCCO2)cc1C 1888909653 WRKJHZAVIKXCNL-OAHLLOKOSA-N 323.400 3.366 0 40 DGAB O=C(O)c1cccnc1Nc1ccc(Br)cc1F 19844842 DYNOZGMVRVCRFO-UHFFFAOYSA-N 311.110 3.425 0 40 DGAB O=C(NC1CCCCC1)N1CCC(c2nnc(C3CC3)o2)CC1 38670526 CMIHSEKLKCNJGM-UHFFFAOYSA-N 318.421 3.169 0 40 DGAB COc1cccc2cc(-c3nc4ccccc4n3C)c(=O)oc12 388785 HHIXLIWULQZRRC-UHFFFAOYSA-N 306.321 3.355 0 40 DGAB Cc1ccn2c(=O)nc(SCc3ccccc3Cl)nc2c1 4503971 PBEIGZLELHOPIH-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB CN(C)[C@@H](CNC(=O)CCc1ccccc1)c1ccc(F)cc1 10329589 ZFXNEZFQKIZDIF-SFHVURJKSA-N 314.404 3.177 0 40 DGAB COC1(CNC(=O)c2cccc3ccccc23)CCSCC1 225593138 UILSPQVVQKRDNQ-UHFFFAOYSA-N 315.438 3.482 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1ccc(-n2cccn2)nc1 49407305 SCEZZPFZDWYAJT-OAHLLOKOSA-N 320.396 3.018 0 40 DGAB O=C(N[C@H]1CCCN(Cc2cccc3ccccc23)C1)C1CC1 1006518054 AQVJZHZQZFOCED-SFHVURJKSA-N 308.425 3.330 0 40 DGAB Cc1cccc2sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)nc12 12998448 OBONINOXVBAURS-MNOVXSKESA-N 318.398 3.434 0 40 DGAB Clc1ccc([C@H]2C[C@H](c3ccccc3)n3nnnc3N2)cc1 113692 JEFUWWLIRCCMCZ-HUUCEWRRSA-N 311.776 3.473 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(CSc2ccccc2)o1 32765534 QLVDXNONDIWHSQ-ZDUSSCGKSA-N 317.410 3.481 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1cccc(C)c1C 583233 YVTKZBDKUGJWKT-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB C[C@@H](C(=O)N1CCC(Cc2ccc(F)cc2)CC1)n1ccnc1 69485483 YDEAHBVYMUPYDB-AWEZNQCLSA-N 315.392 3.065 0 40 DGAB COc1cc(OC)c(CNc2nc3ccccc3o2)c(OC)c1 52434017 YNDPWEJXHFMOAY-UHFFFAOYSA-N 314.341 3.466 0 40 DGAB C[C@@H](O)C[C@@H](C)CNC(=O)Nc1ccc(OCC2CC2)cc1 77712992 WQEZTSMJZWBGHV-CHWSQXEVSA-N 306.406 3.004 0 40 DGAB O=C(Cc1csc(-c2ccsc2)n1)Nc1ccccn1 32841594 ZFZVIAZRNVJNBU-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB COc1c(Cl)cccc1NC(=O)NCC(C)(C)C[C@H](C)O 78936808 PVXIIJCUQKTDDP-JTQLQIEISA-N 314.813 3.267 0 40 DGAB Cc1cncc(C(=O)N2CCCN(Cc3ccccc3C)CC2)c1 79532420 KTHUKVFTVJJWIL-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB COC(=O)[C@@H](C)[C@@H](NCc1ccncc1Cl)c1ccccc1 79937353 VVPSFNFNUQPEAP-BLLLJJGKSA-N 318.804 3.375 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)N1CCSC1=S 6810127 XCDUHAJZXJZJND-UHFFFAOYSA-N 322.238 3.233 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(O)c2)cc1OCC 10038729 LBSNAUWIFYFVTR-UHFFFAOYSA-N 301.342 3.442 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c(C)s1 37500802 DHXUZJNJRIACGI-DRZSPHRISA-N 307.415 3.209 0 40 DGAB COC(=O)c1ccccc1CN(C)C(=O)CCc1ccsc1 72288429 CMKYQDPMJACMSC-UHFFFAOYSA-N 317.410 3.126 0 40 DGAB C[C@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CC1(Cl)Cl 23039776 LJNFCOXEGDXAQL-CYBMUJFWSA-N 316.184 3.370 0 40 DGAB CCNc1nnc(SC[C@@H](O)c2ccc(Cl)cc2)s1 42657131 DJAHTBUCVVRFGV-SNVBAGLBSA-N 315.851 3.449 0 40 DGAB O=C(NCCNc1ncc(C(F)(F)F)cc1Cl)C1CCC1 23625250 HJTCOOXFDDOXPV-UHFFFAOYSA-N 321.730 3.082 0 40 DGAB CC(C)NC(=O)NCC1(c2cccc(Cl)c2)CCOCC1 54540880 SIYSKSDZDUEIJA-UHFFFAOYSA-N 310.825 3.096 0 40 DGAB Cc1nn(CN(C)CCCc2ccccc2)c(=O)c2ccccc12 54513325 CTRXLWPYLFBQLE-UHFFFAOYSA-N 321.424 3.227 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)cc1 23702718 XPWOSCZGGXFYLB-SFHVURJKSA-N 324.380 3.002 0 40 DGAB CC(C)(C)c1ccc(OC(=O)c2ccc(-n3cncn3)nc2)cc1 3128705 TYJSVGCAPRTPOT-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB Cc1oc(C)c(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1C 24663727 AJGVJEPIJSNREO-CQSZACIVSA-N 315.369 3.117 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@@H]1CCOc2ccccc21 43359436 WNSHAJFQUJAVQF-LLVKDONJSA-N 316.386 3.061 0 40 DGAB CCCCN(CC)C(=O)CC[C@H]1Cc2ccccc2NC1=O 12552716 LEZZLTGIWJREHH-HNNXBMFYSA-N 302.418 3.226 0 40 DGAB c1ccc(-n2nnnc2NCCCn2ccc3ccccc32)cc1 12510426 SYRGLKWKKLKUOD-UHFFFAOYSA-N 318.384 3.119 0 40 DGAB O=C(C[C@H]1C[C@@H]2CC[C@@H]1C2)NCc1cccc(Cn2ccnc2)c1 102801162 PMSDPHBJMIRGKE-ATZDWAIDSA-N 323.440 3.374 0 40 DGAB C[C@@H]1CCN(c2ccc(NC(=O)N[C@H](C)[C@@H]3CCCO3)cc2)C1 106869471 OLQILDZXUNELPZ-CPUCHLNUSA-N 317.433 3.222 0 40 DGAB COc1ccc(CCNc2ccccc2C(=O)O)cc1OC 3208120 UEJAKSXSIWDEEB-UHFFFAOYSA-N 301.342 3.057 0 40 DGAB CCOC(=O)c1cnc(S[C@@H](C)c2ccc(F)cc2)nc1N 12640985 PIHVTDCRBSYDEG-VIFPVBQESA-N 321.377 3.228 0 40 DGAB CC1=NN(C(=O)c2cccc(Cl)c2)[C@](O)(c2ccccc2)C1 59488928 QPPFOGYQURVURM-QGZVFWFLSA-N 314.772 3.407 0 40 DGAB C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)CO1 48250679 XJMWICSUMGZPBP-NEPJUHHUSA-N 311.809 3.111 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 1934076 VPZKIBRGHKUXTP-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB O=C(c1ccncc1)N1CCn2cccc2[C@@H]1c1ccccc1 44575738 BGJFRMNKWBUDET-SFHVURJKSA-N 303.365 3.129 0 40 DGAB CC(C)COc1ccc(NC(=O)N2CCOCC2)cc1Cl 27345816 GVJNVBYHNHLUHW-UHFFFAOYSA-N 312.797 3.239 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1CN1CCCC1 58060292 NQWAVSOODRIHCM-OAHLLOKOSA-N 307.825 3.432 0 40 DGAB Cc1ccc(SCc2nnnn2-c2c(C)cccc2C)nc1 58160322 QZLNZTCCZYJHTR-UHFFFAOYSA-N 311.414 3.275 0 40 DGAB C[C@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F 58264823 CUVAFXYURCPGKC-NSHDSACASA-N 305.374 3.328 0 40 DGAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2cccc(C)c2)c1 23733399 NNPXBTSSEQCHGK-INIZCTEOSA-N 313.397 3.266 0 40 DGAB COc1cccc(OCCNC(=O)c2ccccc2Cl)c1 69480263 VUIFIGUPZFOUKR-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB COc1ccc(CNCc2ccc(C)cc2)c(OC)c1OC 2184727 YRGCAQJPUILDRV-UHFFFAOYSA-N 301.386 3.311 0 40 DGAB COc1ccc(NC(=O)[C@@H]2Cc3ccccc3S2)c(OC)c1 11462331 DIMQVRZMLWNOLW-INIZCTEOSA-N 315.394 3.359 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N(C)Cc1ccsc1 48374018 JTHFBXVXSWVERZ-ZDUSSCGKSA-N 300.427 3.158 0 40 DGAB Cc1ccc(CC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)cc1 12975679 CAQXOYAEVILSFX-AWEZNQCLSA-N 311.381 3.186 0 40 DGAB Cc1nn2c(=O)cc(COc3ccc(Cl)c(C)c3)nc2s1 20858944 GYBTZNWTXDHNFN-UHFFFAOYSA-N 321.789 3.000 0 40 DGAB Cc1sc2ncnc(N3CCC[C@@H]3c3cnn(C)c3)c2c1C 69626891 OUPVSOOXBBUEKD-CYBMUJFWSA-N 313.430 3.383 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(N3CCOCC3)cc2)c2ccccc21 63930716 SKHUFFQOWJFBNJ-HNNXBMFYSA-N 322.408 3.287 0 40 DGAB COC(=O)[C@@H](Nc1ccc(N2CCSCC2)cc1C)C(C)C 65270210 ULDJKDLVKOEOPX-INIZCTEOSA-N 322.474 3.158 0 40 DGAB O=C(NCCNC1CCC(c2ccccc2)CC1)c1ccco1 4498168 UKSNLGTURCEIGF-UHFFFAOYSA-N 312.413 3.325 0 40 DGAB CC[C@@H](NC(=O)C[C@@H]1CCCO1)c1nc(-c2ccccc2)c[nH]1 65554072 AENRFYBNXVIGJO-LSDHHAIUSA-N 313.401 3.213 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)C1=COCCO1 6496548 LLBQTVMVRBHZHV-UHFFFAOYSA-N 312.350 3.276 0 40 DGAB Cc1cc(S[C@@H](C)C(=O)NCC(F)(F)F)nc(C(C)C)n1 14171779 WAFTZBMDXQNMLW-VIFPVBQESA-N 321.368 3.068 0 40 DGAB O=C(C1CCN(Cc2cccc(Cl)c2)CC1)N1CCCC1 4680358 YKOSLUUQEDSNOV-UHFFFAOYSA-N 306.837 3.174 0 40 DGAB COc1cccc([C@H](CC(=O)O)NC(=O)Nc2ccccc2)c1 4689569 FIVKWOMLHGZXSX-HNNXBMFYSA-N 314.341 3.033 0 40 DGAB C[C@H](C(=O)Nc1ccccc1F)[S@@](=O)Cc1ccccc1 66300352 KDJPWKMHRWJVBG-XUSGNXJCSA-N 305.374 3.102 0 40 DGAB COc1ccc2c(c1OC)C(=O)N1N=C(c3ccc(C)cc3)C[C@@H]21 5745584 QPVCGTWYQJIBMH-HNNXBMFYSA-N 322.364 3.317 0 40 DGAB CCOC(=O)CSc1nc(C)cc(-c2ccc(OC)cc2)n1 409385182 JUUDAGWLYROCMX-UHFFFAOYSA-N 318.398 3.116 0 40 DGAB Nc1ccccc1SCC(=O)Nc1cccc2nsnc12 7456010 IGSPWRDPAOGBPV-UHFFFAOYSA-N 316.411 3.004 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 7474894 YDLOTMHVZNJNDW-GOSISDBHSA-N 313.328 3.244 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2csc(C)n2)s1 83225923 QSWFFOPHXQGOPT-VIFPVBQESA-N 324.475 3.373 0 40 DGAB Cc1ccnc(NC(=O)CCc2c(C)nc(=S)[nH]c2C)c1 9376599 VUPOFNCDDFRYCN-UHFFFAOYSA-N 302.403 3.031 0 40 DGAB CCc1nc([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)no1 72299121 ZKGYROYFDCALOY-NSHDSACASA-N 317.414 3.160 0 40 DGAB COc1ccc(CN(C(=O)c2cc(Cl)c[nH]2)C2CC2)cc1 23961634 JVGBZUAQWHYFPS-UHFFFAOYSA-N 304.777 3.482 0 40 DGAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccncc2F)cc1 95400408 OUEOYONAWCALRK-UHFFFAOYSA-N 315.348 3.458 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(F)(F)F)C1 95412530 YZGSSIPVOYMIIM-MNOVXSKESA-N 310.360 3.174 0 40 DGAB CC[C@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(C)C 95967480 VMYOBNBJFDWTMW-ROUUACIJSA-N 308.441 3.223 0 40 DGAB O=C(NC1CC=CC1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984104 YSQOXULPIJYLTH-LSDHHAIUSA-N 306.793 3.188 0 40 DGAB Cc1ccc([C@@H](C)CNC(=O)NCCCC(C)(C)CO)cc1 74359878 SNRPZXBQZRAWCI-HNNXBMFYSA-N 306.450 3.196 0 40 DGAB O=C(Nc1ccccn1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 89261772 QTKPUGRFXVKPJC-HIFRSBDPSA-N 317.776 3.387 0 40 DGAB Cc1cc(NC(=O)N[C@H]2CCO[C@H]2c2ccc(Cl)cc2)no1 89262676 CKTRXRMUGKKSBY-JSGCOSHPSA-N 321.764 3.288 0 40 DGAB Oc1cccc2c1CC[C@H]2NCc1cccc2c1OCCCO2 89774307 BWGRKROQLWMBOG-MRXNPFEDSA-N 311.381 3.331 0 40 DGAB O=C(NCCCn1ccnc1)N1CC2(CCCC2)c2ccccc21 89857853 SJDHKWMWRRTVQK-UHFFFAOYSA-N 324.428 3.315 0 40 DGAB O=C(CCCc1ccccn1)Nc1cccc(-c2nnco2)c1 89883668 TWHKKLQVRBSOTO-UHFFFAOYSA-N 308.341 3.093 0 40 DGAB CC1CCN([C@@H](CNCC2=CCCOC2)c2cccs2)CC1 89929955 CAFOQJJLZFQIPN-KRWDZBQOSA-N 320.502 3.457 0 40 DGAB C[Si](C)(C)c1c(I)ccc(F)c1F 306944055 WZMRQPMIUIRWMM-UHFFFAOYSA-N 312.173 3.115 0 40 DGAB CCCC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38899659 PXECYGSUBIODFF-LLVKDONJSA-N 305.403 3.304 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 3843639 ONVVZSHYQMOXLN-WMSAYIRZSA-N 304.430 3.138 0 40 DGAB biogenic CC1=NCCNc2c1c(=O)n(-c1ccccc1)c1ccccc21 3844338 IGKASILSVZSYDM-UHFFFAOYSA-N 303.365 3.225 0 40 DGAB biogenic COc1ccc(N(C)C(=O)c2ncccc2-c2ccccn2)cc1 1527657607 GIUQHEHSTPCQMD-UHFFFAOYSA-N 319.364 3.429 0 40 DGAB CCOCCn1c([C@@H]2CCCN2C(=O)CC)nc2ccccc21 76556349 OGWOLAWMCIRORQ-INIZCTEOSA-N 315.417 3.146 0 40 DGAB COCC[C@@H](C)NC(=O)[C@@H](C)c1ccc(Br)s1 79889709 UPJAYHPHICPOMW-BDAKNGLRSA-N 320.252 3.155 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1ccc(O)cc1 72336908 KEOHZWWPDVPABT-WMLDXEAASA-N 320.396 3.005 0 40 DGAB CC(C)Oc1ncccc1C(=O)CCCNC(=O)OC(C)(C)C 72211943 BUHKXUXOMLPSNU-UHFFFAOYSA-N 322.405 3.356 0 40 DGAB Cc1cccc(C)c1OC[C@@H](O)CN1CC[C@@H](CC2CC2)C1 559413423 BCRYYZKVEILMGK-ROUUACIJSA-N 303.446 3.165 0 40 DGAB O=C(CCSc1ccccc1)Nc1nc2c(s1)COCC2 75166208 UTUXNAYISININQ-UHFFFAOYSA-N 320.439 3.337 0 40 DGAB CCn1c(C)cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222734440 UNFXCNWHGKHYIX-CVEARBPZSA-N 314.458 3.122 0 40 DGAB COCC(=O)Nc1cccc(NCc2ncc(C(C)(C)C)o2)c1 85271439 LOINPYYTFPDSQW-UHFFFAOYSA-N 317.389 3.169 0 40 DGAB Cc1cccnc1NC(=S)NCCCN(C)c1ccccc1 225749089 WYSOCYMRBGZBFY-UHFFFAOYSA-N 314.458 3.203 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)NC[C@@H](C)c2nc(C)cs2)C1 195561060 SZOLNFVSYWFELV-ADEWGFFLSA-N 313.492 3.138 0 40 DGAB Cc1cc(C)n(C[C@@H](O)c2ccc(F)c(Br)c2)n1 191383748 RYLPNXIDBULHMA-CYBMUJFWSA-N 313.170 3.135 0 40 DGAB Cc1ccc([C@@H](C)N(C)C(=O)CCOC2CCOCC2)s1 84583797 VAWIDEATIDYKLE-CYBMUJFWSA-N 311.447 3.162 0 40 DGAB Cc1cc(F)ccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 45715954 AQLMFIVJLHPWLZ-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB COc1ccc([C@@H](C)NC(=O)NCC2(SC)CC2)cc1F 194816505 BLMYLKHKEGNEKU-SNVBAGLBSA-N 312.410 3.090 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCOc1ccccc1 224436378 AYWKZBLAXWJXFC-SFHVURJKSA-N 313.397 3.348 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@H](C)c1ccc(F)cc1 225594943 GVGMLFNDWRNYRN-LLVKDONJSA-N 311.353 3.313 0 40 DGAB C[C@@H](NCCSCc1ccccc1)c1nnc2n1CCCC2 192780175 AKRICRYNEDXFDG-CQSZACIVSA-N 316.474 3.198 0 40 DGAB Cc1ccc(CN2CCC3(CC2)NC(=O)C[C@H]3c2ccccc2)o1 96199587 CGXVLZVCDZOZJQ-SFHVURJKSA-N 324.424 3.226 0 40 DGAB C[C@H](CNC(=O)c1c[nH]nc1-c1ccccc1F)c1ccncc1 95410189 IGMYXRRHDLHLJA-GFCCVEGCSA-N 324.359 3.144 0 40 DGAB Cc1ncsc1C(=O)O[C@H](C)c1nc2ccccc2n1C 96444919 FRQMOMGGQXENKY-SNVBAGLBSA-N 301.371 3.256 0 40 DGAB Cn1nc(C(F)(F)F)cc1CNCc1cccc(F)c1F 256054552 WTUCJEDLQBPIQR-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB O=C(c1cc2cccc(Cl)c2o1)N1CCO[C@@H](C(F)F)C1 585079995 KYLLWDAGUFUTNR-LLVKDONJSA-N 315.703 3.192 0 40 DGAB Cc1nsc(C)c1NC(=O)N[C@H](CCCO)c1ccccc1 585086448 CPXNCOIDGXKRCR-CQSZACIVSA-N 319.430 3.395 0 40 DGAB O=C(Nc1c(Br)ncc2ccccc12)[C@@H]1CCCO1 585125991 KLXUHSMJBPDEGD-NSHDSACASA-N 321.174 3.115 0 40 DGAB Cc1nc(NC(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)sc1C 282678756 LALIUSQGVDWKAT-SNVBAGLBSA-N 321.406 3.021 0 40 DGAB CCCCS(=O)(=O)N[C@@H](CC)c1ccccc1OC(F)F 72301862 JKWNDIKRMLQIEX-LBPRGKRZSA-N 321.389 3.459 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 88390708 DDXAWVLQVLTUOW-KSSFIOAISA-N 310.401 3.052 0 40 DGAB C[C@@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(N)=O 5212844 QUYQZOCMCIVIDA-SECBINFHSA-N 315.423 3.324 0 40 DGAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)[C@@H]1CCOC1 12156717 LNZLQZOUYWWWPB-GDBMZVCRSA-N 315.413 3.366 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1 13091825 DJLTYYCIGWOEDE-UHFFFAOYSA-N 305.333 3.468 0 40 DGAB Cc1c([C@@H](C)NC(=S)Nc2ccc(F)cc2F)cnn1C 17032114 ARTRAINXLQEZGU-MRVPVSSYSA-N 310.373 3.054 0 40 DGAB Cc1ccc(C)c(NC(=O)CN(C)C(=O)/C=C/c2ccco2)c1 3555385 GVTCJSUGWHSPFS-CMDGGOBGSA-N 312.369 3.007 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)C2(c3ccccc3)CCC2)cc1 26626296 PZUGWEUHLXPNFH-UHFFFAOYSA-N 322.408 3.449 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)[C@@H]1CCCO1 27908131 OTNVZVJTERVLDI-HZMBPMFUSA-N 320.776 3.292 0 40 DGAB CC(=O)N(CC(C)C)c1nc(C)c(C(=O)NC2CCCC2)s1 40288544 SPFOCIYHDHYHTK-UHFFFAOYSA-N 323.462 3.133 0 40 DGAB c1ccc(-c2cc(-c3nn4c(C5CC5)nnc4s3)no2)cc1 20725544 ZCVLLKIEJVGNQU-UHFFFAOYSA-N 309.354 3.385 0 40 DGAB C[C@@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccccc1 46172675 QOPQTIIXYXGXLF-NSHDSACASA-N 308.403 3.043 0 40 DGAB COc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 355151 FYUCKUTXZAGUAM-GHSKTYPESA-N 323.776 3.034 0 40 DGAB Cc1cc(C)c(NCC(=O)NC(=O)Nc2ccccc2)c(C)c1 32891600 XXYVNVHKJHBMAU-UHFFFAOYSA-N 311.385 3.372 0 40 DGAB CO[C@@]1(C)O[C@]2(C)c3ccccc3C(=O)[C@]2(c2ccccc2)O1 1612685 GGVQPBKXWZTTJW-QYZOEREBSA-N 310.349 3.361 0 40 DGAB c1ccc(Cc2nnc(CSC[C@@H]3CCCCO3)o2)cc1 78935946 HGDHQFAJKFTEPW-AWEZNQCLSA-N 304.415 3.463 0 40 DGAB O=C(CN(Cc1ccco1)C(=O)c1ccco1)Nc1ccccc1 21711401 DIAINSJOLIOEJA-UHFFFAOYSA-N 324.336 3.154 0 40 DGAB COCc1ccc(C(=O)NC[C@H](C)N(C)c2ccccc2)cc1 32931200 CJYVGDMWOWIKLP-HNNXBMFYSA-N 312.413 3.088 0 40 DGAB COc1cc(NC(=O)CCc2ccsc2)cc(OC)c1OC 8389806 MILPFYPXDNWMEC-UHFFFAOYSA-N 321.398 3.345 0 40 DGAB O=C(c1cccs1)N1CCC(C(=O)O)(c2ccccc2)CC1 8429430 LULGUHRXEZCYSE-UHFFFAOYSA-N 315.394 3.007 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 8517890 VVMAJPVZUMBYOH-INIZCTEOSA-N 323.389 3.264 0 40 DGAB Cc1cc(C(=O)COC(=O)C2(c3ccccc3)CCC2)c(C)[nH]1 22417098 PDSPUHPDSONHQR-UHFFFAOYSA-N 311.381 3.479 0 40 DGAB CC(C)(C)NC(=O)CN(Cc1ccccc1)Cc1ccco1 42366792 XKZYYRDOXMKHRL-UHFFFAOYSA-N 300.402 3.197 0 40 DGAB COC(=O)C[C@@H](NC(=O)C1CCCC1)c1ccc(Cl)cc1 23038120 MGHZFENKXBIKBX-CQSZACIVSA-N 309.793 3.251 0 40 DGAB COc1ccccc1CNC(=O)Cc1ccc2c(c1)CCCC2 23224209 LDMYPKCURSKFIM-UHFFFAOYSA-N 309.409 3.433 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)C[C@H](C)C1 9997172 NGPNYDXMOMPKCK-RYUDHWBXSA-N 310.825 3.265 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccccc1)c1ccc2c(c1)CCC2 53698339 CTVMKEGZJPWURO-CYBMUJFWSA-N 301.411 3.215 0 40 DGAB Cc1cc(C(=O)CN2CCO[C@H](c3ccc(F)cc3)C2)c(C)[nH]1 23186615 VLEMCYMHVYSGMZ-SFHVURJKSA-N 316.376 3.027 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3cccc(N(C)C)c3)c2)no1 35539505 HPEMDLWEUBJSKR-UHFFFAOYSA-N 322.368 3.363 0 40 DGAB COc1ccc(CNC(=O)c2cc3cc(OC)ccc3n2C)cc1 35558594 ZENAIEBQZZHPBS-UHFFFAOYSA-N 324.380 3.126 0 40 DGAB CN(C)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10165522 QZCKEOATAKCFIP-UHFFFAOYSA-N 312.369 3.053 0 40 DGAB Cc1cccc(C(=O)N2C[C@H]3C[C@H]2C[C@@H]3Oc2cccnc2)c1 106969094 MWSZMFJTLBHLOA-RYRKJORJSA-N 308.381 3.072 0 40 DGAB CCCOc1ccc(C(=O)NCCc2csc(C)n2)cc1 27793432 CDEIHZVPMUYUPV-UHFFFAOYSA-N 304.415 3.213 0 40 DGAB CC(C)n1nccc1NC(=O)c1cnn(-c2ccccc2F)c1 58403400 PDFOPVBWZHBLHH-UHFFFAOYSA-N 313.336 3.041 0 40 DGAB Cn1nc2c(c1NC(=O)CCCc1c[nH]c3ccccc13)CCC2 58425139 PYTFPAWRGRUMDM-UHFFFAOYSA-N 322.412 3.352 0 40 DGAB Cc1nccn1-c1ccc(CNc2cncc(Cl)n2)cc1F 58413026 DKLDLKZYNDJIRL-UHFFFAOYSA-N 317.755 3.375 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NC1CCCC1 12908793 GCXOENMXNNAGQD-UHFFFAOYSA-N 301.365 3.301 0 40 DGAB Cc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1 13008036 LKECFYWVQNAROW-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB O=C(Nc1ccc(F)cc1)c1cc(F)ccc1N1CCOCC1 69697586 CRTMJOSEMVJFJV-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB Cc1ccc2cc(CN(C(=O)C(C)C)C(C)C)c(=O)[nH]c2c1 5185573 QZCWOOIQLIZNAT-UHFFFAOYSA-N 300.402 3.230 0 40 DGAB Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)no1 5261989 POAHRMMFNRUSDA-UHFFFAOYSA-N 302.355 3.480 0 40 DGAB COC(=O)[C@@H](NC(=O)C=C(C)C)c1ccccc1C(F)(F)F 65490570 UEUZSCHEUVCIPR-ZDUSSCGKSA-N 315.291 3.002 0 40 DGAB Cc1c([C@H](C)NC(=O)Nc2cccc(-n3cccc3)c2)cnn1C 65548410 SZDBSPVURWZFEI-ZDUSSCGKSA-N 323.400 3.402 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 7407152 HJLOJFDPHAWLNI-UHFFFAOYSA-N 320.295 3.499 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 7917297 UORBOPVNCNNRQN-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB CC(=O)[C@@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8314390 COPHJKCDILGTDU-SNVBAGLBSA-N 305.378 3.489 0 40 DGAB CCc1nc(CCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)sc1C 69493780 YNACBPCHRRXXSM-HUUCEWRRSA-N 314.454 3.476 0 40 DGAB CCc1ccsc1C(=O)N1CCC[C@H](c2noc(C)n2)C1 72231759 IZEHIWNCAZGWOT-LBPRGKRZSA-N 305.403 3.022 0 40 DGAB O=C(c1ccnc(F)c1)N1CCC(Nc2ccccc2F)CC1 96426612 VMMOKNXJQODBGX-UHFFFAOYSA-N 317.339 3.077 0 40 DGAB c1ccc(-c2nc(CN3CCC[C@H]3Cn3cccn3)co2)cc1 71875553 PSDQSCFGBGVAKT-KRWDZBQOSA-N 308.385 3.203 0 40 DGAB CC(C)c1csc([C@@H]2CCCN(C(=O)C3=COCC3)C2)n1 72297285 IGTNOGZZWWWVKA-GFCCVEGCSA-N 306.431 3.277 0 40 DGAB CSCCCCNC(=O)N1CCc2c(F)ccc(F)c2C1 83992708 ZLOSQBNALFMRTQ-UHFFFAOYSA-N 314.401 3.176 0 40 DGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccccc1F 9709609 XYWDQYJSEOENAS-UHFFFAOYSA-N 323.331 3.066 0 40 DGAB Cc1cc(C)n(C[C@H](C)NC(=O)CCn2ccc3ccccc32)n1 84102258 OGRDJRJTFLKRON-HNNXBMFYSA-N 324.428 3.050 0 40 DGAB COc1ccccc1NC(=O)N[C@@]1(CO)C[C@@H](C)CC(C)(C)C1 72305924 FXBMQTAFYVKRFJ-UGSOOPFHSA-N 320.433 3.394 0 40 DGAB CN(C)C(=O)CCC[S@](=O)Cc1cc(Cl)ccc1Cl 95413691 JJTUQAXSAJTWPI-LJQANCHMSA-N 322.257 3.111 0 40 DGAB Cc1ccc(S(=O)(=O)n2ccc3cc(Cl)cnc32)cc1 95830776 XYGQPBKTGZVZQB-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB in-vitro CCCC[C@@H](N[C@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC 95943551 WRDQIYSTYAHSNH-SCLBCKFNSA-N 314.429 3.347 0 40 DGAB O=C(CCc1ncn[nH]1)NCC1(C2CCCCC2)CCCCC1 95980274 KIKHYKQEFNNKDV-UHFFFAOYSA-N 318.465 3.384 0 40 DGAB CC(C)[C@H](C)CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 95969541 FIXAVXJMCSOBRA-OAHLLOKOSA-N 317.429 3.314 0 40 DGAB CS[C@H]1CCC[C@H]1N(C)C(=O)c1c(O)cc(F)cc1F 89334851 MJDKENQONKKWCS-PWSUYJOCSA-N 301.358 3.027 0 40 DGAB C[C@@H](CCCO)NC(=O)N[C@H](C)Cc1ccc2ccccc2c1 89895404 IYMLUBKOBWNHGU-LSDHHAIUSA-N 314.429 3.231 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N(CCc2ccc3ccccc3c2)C1=O 554350525 QDKKXKKGISZXFB-GUYCJALGSA-N 310.397 3.349 0 40 DGAB CC(C)C(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 65625597 FPCZEERIIPDADB-QZTJIDSGSA-N 300.446 3.298 0 40 DGAB COCc1ccccc1NC(=O)N1CCC[C@]1(CO)CC(C)C 189544019 DYIKHXRXIPBFEA-GOSISDBHSA-N 320.433 3.238 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)[C@@H]2CC=CCC2)cc1OC 74611466 WKQDMBCSFBFGOW-VXGBXAGGSA-N 307.365 3.376 0 40 DGAB Fc1ccc(F)c(OCc2csc(-c3ncccn3)n2)c1 78443548 PUKGWWOAQJLGJI-UHFFFAOYSA-N 305.309 3.457 0 40 DGAB CCc1nc([C@H]2CCCN(c3ncnc4ccsc34)C2)no1 72279232 SUPVVTFEQDYFFS-JTQLQIEISA-N 315.402 3.021 0 40 DGAB O=C(O)/C=C/c1ccc(NC(=S)NCc2ccccc2)cc1 216929043 IIWSRHIMKYQWAP-DHZHZOJOSA-N 312.394 3.271 0 40 DGAB Cc1ccc(F)c2c1CCCN2C(=O)c1cnc2c(c1)ncn2C 121144286 QQXIFLFXZJIJPZ-UHFFFAOYSA-N 324.359 3.009 0 40 DGAB CN(Cc1cnn(Cc2ccc(F)cc2)c1)Cc1nccs1 187348850 OQBAZTWSQLRCLN-UHFFFAOYSA-N 316.405 3.159 0 40 DGAB N[C@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1OCc1ccccc1 218868248 RRNLSOSWIHMGHJ-MANSERQUSA-N 302.462 3.374 0 40 DGAB COc1ccccc1CCCNC(=O)[C@H](C)Oc1ccccc1 219484890 AKMISQOWFZIZBH-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB Cc1ncsc1C(=O)N1CCS[C@H](c2ccco2)CC1 219416793 TXGZMFBZHBXKOO-LBPRGKRZSA-N 308.428 3.365 0 40 DGAB Fc1cncc(CN2CCN(c3cncc4ccccc34)CC2)c1 225786687 MHNMSPSJZMDMPY-UHFFFAOYSA-N 322.387 3.091 0 40 DGAB CCOc1ccccc1C[C@H](Oc1ccc(C)cc1)C(=O)O 225103891 RWPKOBYVFMWQJY-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)s1 222768723 BQFXISOACWYRQX-KBPBESRZSA-N 303.456 3.444 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccccn1)c1nc(-c2ccccc2)no1 48303468 AATUQUAAEWXPMI-OAHLLOKOSA-N 322.368 3.259 0 40 DGAB CCc1ccc(OCC(=O)NCCOc2ccccc2C)cc1 224264591 XRKUWLUZKGVKCC-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB Cc1occc1S[C@H](C(=O)NCc1cccnc1)C(C)C 131362367 XICLHKNZOUQNCC-HNNXBMFYSA-N 304.415 3.416 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc([C@@H](C)O)cc2)c1 226273413 ZIWGNUNGJSAUCM-LLVKDONJSA-N 301.342 3.009 0 40 DGAB CC(C)CN1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1ccco1 96252228 XRAYRQKQHFJKDZ-BYICEURKSA-N 318.461 3.290 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@]3(CCCC(=O)N3C)C2)cc1 96229738 HLVCXICKHBVIDY-GOSISDBHSA-N 315.417 3.004 0 40 DGAB CC1(C)CC(=O)N(CCCC(=O)N2CCCC2)c2ccccc21 96183665 YHGFMSJQZLRWGM-UHFFFAOYSA-N 314.429 3.104 0 40 DGAB Cc1nc([C@H]2COCCN2C(=O)/C=C/c2cccs2)cs1 96219145 YAIGXKCJJCCWPJ-ISZGNANSSA-N 320.439 3.126 0 40 DGAB c1nc(SCc2csc(-c3ccoc3)n2)c2[nH]cnc2n1 96410897 FGQVWOWKZFLQKF-UHFFFAOYSA-N 315.383 3.362 0 40 DGAB Cc1ccc(O[C@@H](C)CNC(=O)N[C@H](C)c2nccs2)cc1 96439963 XPZBGXPUKLBULA-QWHCGFSZSA-N 319.430 3.279 0 40 DGAB COc1ccc(C)nc1NC(=O)[C@H]1CSc2ccccc21 96445658 HRURAWUJEMUKMX-LBPRGKRZSA-N 300.383 3.227 0 40 DGAB COCc1nn(C(C)C)c2c1CCN(Cc1ccc(C)o1)C2 96058982 GTDKMXOOZAVXEF-UHFFFAOYSA-N 303.406 3.070 0 40 DGAB C[C@H](CNC(=O)[C@H]1C[C@H]1c1cccnc1)Sc1ccccc1 245316855 KXHWUTKZIALIFI-COXVUDFISA-N 312.438 3.482 0 40 DGAB Cc1nsc(C)c1NC(=O)N[C@@H](CCCO)c1ccccc1 585086447 CPXNCOIDGXKRCR-AWEZNQCLSA-N 319.430 3.395 0 40 DGAB O=C(Nc1cscc1Br)N1CCSCC1 585119553 KTMPWTUEYWFENV-UHFFFAOYSA-N 307.238 3.091 0 40 DGAB C[C@@H](CC(=O)N[C@H]1CCCc2nc[nH]c21)Cc1cccc(F)c1 585122673 XEYCOEILENFKEV-WBMJQRKESA-N 315.392 3.311 0 40 DGAB CSc1ccccc1C(=O)N1CCC[C@H](c2ccn(C)n2)C1 390831117 PRTALEJUZZIXLC-ZDUSSCGKSA-N 315.442 3.162 0 40 DGAB CN(Cc1cscn1)C(=O)C1(c2ccc(F)cc2)CCC1 58006819 SNWNMVXRVMJCKG-UHFFFAOYSA-N 304.390 3.363 0 40 DGAB C[C@@](O)(CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 70639591 HJBVJZWZZJAWCW-JCFBCRGFSA-N 313.441 3.227 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 85387398 VZEHTFKFVMELPT-BQFCYCMXSA-N 317.477 3.346 0 40 DGAB Cc1c(Br)cccc1C(=O)NCC[C@@H]1CCCO1 88445418 SAPMVPXBCZVMAG-NSHDSACASA-N 312.207 3.056 0 40 DGAB CN(C[C@@H]1CCC[C@@H]1O)c1ncc(C(F)(F)F)cc1Cl 95974254 MWYUASCPIUPPFT-KWQFWETISA-N 308.731 3.351 0 40 DGAB FC(F)(F)Oc1cccc(CNCCc2nccs2)c1 96403759 OAQHUJUHWQETIC-UHFFFAOYSA-N 302.321 3.374 0 40 DGAB CO[C@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 78562 JZBFFAVWRQDSDK-AEZGRPFRSA-N 308.592 3.159 0 40 DGAB CC(C)c1ccc(Cc2nnc(Nc3cccnc3)[nH]c2=O)cc1 5154617 IAYAPTVJJHZECO-UHFFFAOYSA-N 321.384 3.018 0 40 DGAB O=C(NC1CC1)c1csc2nc(-c3ccc(F)cc3)cn12 11902185 KGGUUMOOBPNMAC-UHFFFAOYSA-N 301.346 3.094 0 40 DGAB OC[C@H]1CCCN(Cc2c(C3CCCC3)[nH]c3ncccc23)C1 13266551 APEUHSUJFXJLLX-AWEZNQCLSA-N 313.445 3.425 0 40 DGAB Cc1cccc(OCCCNC(=O)c2cnc3ccccc3n2)c1 16709174 MSPWFGITNLUKSP-UHFFFAOYSA-N 321.380 3.137 0 40 DGAB Cc1ccc2[nH]c(C)c(CCC(=O)NC3(C)CCC3)c(=O)c2c1 19220330 JQBDFGGYBQVSEQ-UHFFFAOYSA-N 312.413 3.136 0 40 DGAB Cc1nc(CC(=O)Nc2ccccc2Br)cs1 7995565 PSDYSFSZBKKYKT-UHFFFAOYSA-N 311.204 3.395 0 40 DGAB CN(C)C(=O)[C@@H](NCCc1c[nH]c2ccccc12)c1ccccc1 35286715 JZGWWMMDCDIQEF-IBGZPJMESA-N 321.424 3.130 0 40 DGAB Fc1ccc(CN2CCN(c3nccs3)CC2)c(Cl)c1 25063718 XKUAPJBDEZLYGY-UHFFFAOYSA-N 311.813 3.258 0 40 DGAB COc1ccc(OC)c2sc(N3CCC(F)(F)C3)nc12 1559153620 DMKLHGNXLHHISE-UHFFFAOYSA-N 300.330 3.159 0 40 DGAB CC(=O)N1C[C@@H](C)CN(C(=O)c2cccnc2C)c2ccccc21 96443232 OCFKVMPBKQMGIM-CYBMUJFWSA-N 323.396 3.039 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NCc2ccc(OC(C)C)nc2)o1 40120826 BFUFBFWNHYJXIQ-ZDUSSCGKSA-N 317.389 3.331 0 40 DGAB O=C(CC(F)(F)F)NCc1ccc(OCc2cccnc2)cc1 40534142 DFYBLWAZWMGCDP-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccccc2Cl)c1 51356169 PSKNBLUBDQPZPE-UHFFFAOYSA-N 317.772 3.468 0 40 DGAB CCCCNC(=O)c1cc(OC)c(OC)cc1-n1cccc1 32091059 WJHICCCWCGTEQD-UHFFFAOYSA-N 302.374 3.024 0 40 DGAB CCn1c(SCC(=O)Nc2ccccc2F)nnc1C(C)C 410481 QNNRBNRUBCVXHH-UHFFFAOYSA-N 322.409 3.291 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023145 YSSKKAQFPMDKGZ-JSGCOSHPSA-N 322.405 3.011 0 40 DGAB CC(C)[C@H](OC(=O)c1cccs1)C(=O)NCc1cccs1 1381122 YRMWNJJGZIIGOS-ZDUSSCGKSA-N 323.439 3.307 0 40 DGAB CCCC[C@@H]1SC2=NCCN2[C@]1(O)c1ccc(Cl)cc1 1575111 OFULIMNERCHOMM-ZFWWWQNUSA-N 310.850 3.462 0 40 DGAB COc1ccc(C(=O)N[C@@H](c2ccc(F)cc2)C(C)(C)C)nn1 78076399 KTQVBGVXWBQDBC-HNNXBMFYSA-N 317.364 3.142 0 40 DGAB O=C(c1ccncc1)N(Cc1ccc(F)cc1)CC(F)(F)F 96425755 SOXVUYSZNPPREC-UHFFFAOYSA-N 312.266 3.425 0 40 DGAB O=C(Nc1ccccc1)c1cccc(NC(=O)C(F)(F)F)c1 3152455 SBKHMKOGBAGZRF-UHFFFAOYSA-N 308.259 3.440 0 40 DGAB COC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1 46629111 NNKQDUTXJFTKLK-CQSZACIVSA-N 316.401 3.042 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O 4288717 HYYVXCVGLZDNPT-FQEVSTJZSA-N 322.408 3.438 0 40 DGAB CCCCNC(=O)OCCSC(=S)NC1CCCCC1 6273630 WNRAGUNELHSLNL-UHFFFAOYSA-N 318.508 3.453 0 40 DGAB COc1cc(CNCC(C)C)cc(Br)c1OC 6883528 SEXBUKCAXKKNFS-UHFFFAOYSA-N 302.212 3.212 0 40 DGAB CN(Cn1ncc(Cl)c(Cl)c1=O)[C@@H]1CCc2ccccc21 22758495 WWYHGGMFCUEHAA-CYBMUJFWSA-N 324.211 3.127 0 40 DGAB C[C@@H]1CN(C(=O)[C@H]2CC=CCC2)CC[C@@H]1NC(=O)OC(C)(C)C 72293571 IMLSUENPSWHAFU-ILXRZTDVSA-N 322.449 3.104 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)N1CC(=O)Nc2ccccc21 20110884 UFCDCWRCVMOIJC-CYBMUJFWSA-N 324.380 3.002 0 40 DGAB O=C(Nc1ccc(CN2CCCC2)cc1)c1n[nH]c2ccccc12 9337534 GQOCFRCIYCFXHQ-UHFFFAOYSA-N 320.396 3.411 0 40 DGAB Cc1ccc(NC(=O)c2ccc(-n3nccc3C)cc2)c(O)c1 9834454 UXDFTCRNJWCFDT-UHFFFAOYSA-N 307.353 3.447 0 40 DGAB COc1ccc(CCNC(=O)c2ccc3ncccc3c2)cc1 58024530 CPHIWZIYRXTURZ-UHFFFAOYSA-N 306.365 3.216 0 40 DGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 106778995 FYPVPNGQKGWZRX-HUUCEWRRSA-N 322.836 3.047 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CCc3c([nH]c4ccccc34)[C@H]2C)c1 56341937 OCHHZWSOHMHLPA-LLVKDONJSA-N 321.380 3.458 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccsc2)N(C)C)o1 25811100 DNOWLTOYFXKNIS-LFAOLKIESA-N 304.415 3.082 0 40 DGAB CN(C)[C@@H](CNC(=O)/C=C/c1cccs1)c1ccsc1 25810579 VUHOMPZIMQOEPG-GJBLVYBDSA-N 306.456 3.242 0 40 DGAB O=C(NCc1ccccc1-n1ccnc1)c1cccc(Cl)c1 20040527 JEQWIFBSBYVATQ-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Cc1cccc(CN2CCC3(CC2)CC(Nc2ncccn2)C3)n1 108535767 AJPLSEFFETUFFZ-UHFFFAOYSA-N 323.444 3.037 0 40 DGAB COCCNC(=O)C12C[C@@H]3C[C@@H](C1)CC(c1ccccc1)(C3)C2 100970431 SNSYKZCMGKQVPO-JZFKGDSASA-N 313.441 3.287 0 40 DGAB CCN(CC(=O)NC(C)C)C(=O)c1ccc(SC(C)C)cc1 48192125 AYRGGQANUFHNIN-UHFFFAOYSA-N 322.474 3.174 0 40 DGAB Cc1ccc(CNC(=O)COC(=O)c2cccc(Cl)c2)cc1 3385613 WJSDQBBORIMENS-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB O=C(COC(=O)C1CCC1)NC(c1ccccc1)c1ccccc1 3315618 HSTNWJHTETXWIE-UHFFFAOYSA-N 323.392 3.236 0 40 DGAB O=C1COc2cc(C(=O)Nc3ccc(F)c(Cl)c3)ccc2N1 12783216 BXZPCHLLPGOZRC-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB COc1cccc(COC(=O)c2cccnc2SC)c1OC 12778294 RDIRGBXPDDEADV-UHFFFAOYSA-N 319.382 3.178 0 40 DGAB Cc1ccc(CNC(=O)NCc2csc(C3CC3)n2)s1 69924932 PUVZECQRIZYVJQ-UHFFFAOYSA-N 307.444 3.390 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1 3562589 CHBZDWIVJYICLQ-UHFFFAOYSA-N 322.286 3.317 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)NC(=O)OCc2ccccc2)c1 12939507 PYVWXVSYQPZSPP-AWEZNQCLSA-N 312.369 3.248 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2C1 13011034 DJSMJQIFBNXWRR-HZMBPMFUSA-N 314.410 3.210 0 40 DGAB CCc1nc2ccccc2n1CC(=O)NCc1ccc(C)cc1 9466568 SGMZKKOCDKYHIC-UHFFFAOYSA-N 307.397 3.224 0 40 DGAB CC(C)(CN1CCC[C@@H]1CC1CCCCC1)S(C)(=O)=O 92644145 KYXCMRPJZLXALI-OAHLLOKOSA-N 301.496 3.244 0 40 DGAB COc1ccc([C@H](NC(=O)[C@@H]2CCCO2)c2ccccc2)cc1 14184301 DOSVRVXQIJUYGB-ZWKOTPCHSA-N 311.381 3.080 0 40 DGAB O=C1OCC[C@H]1Sc1nn(-c2ccccc2)c(=S)s1 6543608 UTJWIXDSQUALTL-SECBINFHSA-N 310.425 3.071 0 40 DGAB CC(C)(C)c1ccc(NC(=O)c2cccc(-n3cnnn3)c2)cc1 14474642 FIEZGXMFHSHBRA-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cc(F)c(F)c(F)c1F 6653557 XMWLSWCPBGQODQ-UHFFFAOYSA-N 309.222 3.372 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 4863085 FKWAHQSNYFFTKX-MEDUHNTESA-N 317.772 3.298 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2c[nH]c3ccccc23)s1 15193250 SEUAWIIHRYOWCQ-UHFFFAOYSA-N 314.366 3.197 0 40 DGAB C[C@H](CCn1cccn1)n1ccnc1-c1ccccc1C(=O)O 71388798 OISBNDZLNURDAE-CYBMUJFWSA-N 310.357 3.096 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(C)cc2F)cc1OC 7814534 OXAIECSYTLWFRK-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)CCc1ccsc1)OCO2 7989254 AQOVEOFHIVPFEP-UHFFFAOYSA-N 317.366 3.251 0 40 DGAB COc1ccccc1NC(=O)COc1cccc2cccnc12 8315186 PNNFGGAMUOUOAQ-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB COc1ccc(NC(=O)CSc2ccc3c(c2)CCC3)cn1 17296733 AZCNQQUAHHJLEQ-UHFFFAOYSA-N 314.410 3.310 0 40 DGAB Cc1nn(-c2ccc(Br)cc2)c2c(=O)ccccc12 19909709 LVAUJZYJHZBWIJ-UHFFFAOYSA-N 315.170 3.457 0 40 DGAB O=C(CCc1cscn1)N[C@@H]1CCC[C@H]1Oc1ccccc1 71902926 NKDCCHUHLWXSHU-HZPDHXFCSA-N 316.426 3.192 0 40 DGAB Cc1cccn2c(CN[C@@H](C)CCc3ccc(O)cc3)cnc12 65393444 SBBSSNYUTQSZNV-HNNXBMFYSA-N 309.413 3.459 0 40 DGAB COc1ccc(-c2noc(-c3cccc(C)c3O)n2)cc1OC 97001688 AJRBREBRCFTDDM-UHFFFAOYSA-N 312.325 3.435 0 40 DGAB CO[C@@H](C)c1cccc(NC(=O)c2ccc(C(=O)O)s2)c1 95424350 YGFPIBGEPMTKQN-VIFPVBQESA-N 305.355 3.406 0 40 DGAB O=c1[nH]c(N2CCS[C@@H](c3ccccc3)C2)nc2ccccc12 95433674 KAUZASJAPCXOPS-MRXNPFEDSA-N 323.421 3.218 0 40 DGAB CC(C)Nc1cccc(CNC(=O)N(C)Cc2ccncc2)c1 88615743 AQJAZQNSRKDYKM-UHFFFAOYSA-N 312.417 3.244 0 40 DGAB O=C(N[C@H]1CCC[C@@H]1O)c1cc(-c2ccccn2)ccc1Cl 95974551 GHCSPGUAZJTTQT-HOTGVXAUSA-N 316.788 3.045 0 40 DGAB C[C@H](NC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 95993657 WAOWXOBFJFNNLU-XHDPSFHLSA-N 317.351 3.377 0 40 DGAB C[C@@H]1C[C@@H](NCC(C)(C)S(C)(=O)=O)C[C@H](c2ccccc2)C1 95968930 SMLZMTDMNPUKHY-USXIJHARSA-N 323.502 3.372 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@H](Cc1ccccc1)C(F)(F)F 89830084 MSDFLBDYIVNOPP-UONOGXRCSA-N 315.335 3.235 0 40 DGAB C[C@H](CNC(=O)c1ccc(CSc2ccccc2)o1)C(=O)O 89901240 DWUHUTZXVDBLFE-LLVKDONJSA-N 319.382 3.022 0 40 DGAB O=C(Cc1cccs1)NCC1(c2cccs2)CCOCC1 23238002 IQAADZQJSLBBQA-UHFFFAOYSA-N 321.467 3.217 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCCc1ccccc1 38754258 CRNSLYDLVMVXMD-SFHVURJKSA-N 313.397 3.212 0 40 DGAB COc1ccc(Cc2cncc3c(O)c(OC)ccc23)cc1O 1719367 YKMSUMCPPRHCGW-UHFFFAOYSA-N 311.337 3.254 0 40 DGAB biogenic O[C@@H](CN1CCC(c2cccc3[nH]ccc23)CC1)c1ccccn1 1553875005 HKIRBYRSQXFKBF-FQEVSTJZSA-N 321.424 3.476 0 40 DGAB O=C(c1ccc(F)c(C(F)(F)F)c1)N1CCCSCC1 43567405 RQJKVUUUDXLPLE-UHFFFAOYSA-N 307.312 3.424 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1ccc2c(c1)ncn2C 74705605 GXACPKNAWGJKGE-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB CCSc1ccc(C(=O)N(C(C)C)C2CCOCC2)cn1 78183186 ZNDVDIMNSQPITO-UHFFFAOYSA-N 308.447 3.223 0 40 DGAB CSc1ncccc1C(=O)N[C@@H]1CCOc2ccccc21 7215377 ARMXSTLONKWMER-CYBMUJFWSA-N 300.383 3.057 0 40 DGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN2C(C)C)n1 72384621 DYDIWCLOCCTALO-ZDUSSCGKSA-N 303.435 3.449 0 40 DGAB CCCNS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl 37064506 WWXUHGVBPZBEQY-UHFFFAOYSA-N 302.610 3.335 0 40 DGAB Ic1ccc(-c2nc3ncccc3o2)cc1 73638979 NZTQYVMGCVAKRU-UHFFFAOYSA-N 322.105 3.494 0 40 DGAB CCc1ccc(OS(=O)(=O)c2ccc(OC)c(C)c2)cc1 32602207 IPWVLCNUBKGLHU-UHFFFAOYSA-N 306.383 3.334 0 40 DGAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCCC2)n1 72378517 YICCBCOUMHWBJP-KRWDZBQOSA-N 324.428 3.429 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)c1 42645858 HCKLFKSUSLJYCD-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB O=C(NCc1ccccc1Cn1cccn1)Nc1ccccc1 45616316 DLKDRBVVSSJKFG-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB CN(C[C@@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1O 80035975 XHERSCSOWWWQAX-NSHDSACASA-N 319.788 3.307 0 40 DGAB CCN(CCO)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 43140246 YRENKWWERKGYGP-VIFPVBQESA-N 305.205 3.078 0 40 DGAB COc1ccc(NC(=O)CCc2c(OC)cccc2OC)cc1 225995303 NKWCBWQKRLZCCS-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB O=C(NC[C@@H]1CC[C@H](O)C1)Nc1cc(-c2ccco2)ccc1F 195578954 YKPWLYURLQNWNR-YPMHNXCESA-N 318.348 3.368 0 40 DGAB CC(C)C[C@@H](C(=O)Nc1c2c(nn1C)CSC2)n1cccc1 575443251 OYBUWGWHXZPVLZ-AWEZNQCLSA-N 318.446 3.194 0 40 DGAB CSC(C)(C)CNC(=O)Nc1ccccc1-c1noc(C)n1 96434134 JJRMZXBHWXWEEP-UHFFFAOYSA-N 320.418 3.308 0 40 DGAB CC(C)Cc1sc(Cl)nc1C(=O)N1CCSCC1 96231054 YJLGCZUXHMWWEA-UHFFFAOYSA-N 304.868 3.184 0 40 DGAB CCn1ncc2c1CN(Cc1ccc(C)s1)C[C@@H]2COC 96044563 VJUJUDQRFJJAKU-CYBMUJFWSA-N 305.447 3.019 0 40 DGAB COc1ccc([C@H](NC(=O)c2cccnc2)C(F)(F)F)cc1 97236095 PTCPEZSFDKUGEW-ZDUSSCGKSA-N 310.275 3.124 0 40 DGAB CC[C@@H](C)CS(=O)(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 96419762 SKRVCNNPZCPHOG-IUODEOHRSA-N 321.446 3.076 0 40 DGAB O=C(CC1CCCC1)N1CCC2(CCCN2CC2CC2)CC1 96075235 HBUCEUXYTXOPQS-UHFFFAOYSA-N 304.478 3.434 0 40 DGAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@@H]2CCCCN2C)n1 257343820 ZUOGMPQGVTWYHI-KRWDZBQOSA-N 311.385 3.307 0 40 DGAB CO[C@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 377240544 DGSQLCVOLMDNPC-SFHVURJKSA-N 313.445 3.490 0 40 DGAB O=C1OCC[C@@H]1NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 58077427 RZLWCSRHOWDWRY-APWZRJJASA-N 320.392 3.205 0 40 DGAB C[C@@H](SCC(=O)NCc1ccccn1)c1ccccc1F 69698479 CTCBBUIHRPXVFU-GFCCVEGCSA-N 304.390 3.331 0 40 DGAB CO[C@]1(C)C[C@@H](NC2CCN(CCC(F)(F)F)CC2)C1(C)C 96003176 RNYRMBAMRMJLRG-UKRRQHHQSA-N 322.415 3.196 0 40 DGAB Cn1cnnc1CNc1cc(C(F)(F)F)cc(C(F)(F)F)c1 97048035 XULDKWFOSLWOJE-UHFFFAOYSA-N 324.228 3.465 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 202321 GYCWAENLCGRJAN-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB c1ccc2c(N3CCC[C@@H](COc4ccncc4)C3)ncnc2c1 1775973273 LMARPRQNDGAXPE-OAHLLOKOSA-N 320.396 3.320 0 40 DGAB C[C@H]1c2ccsc2CCN1Cc1ccc(OCCO)cc1 12241388 NFLIIOIQJIYSSV-ZDUSSCGKSA-N 303.427 3.239 0 40 DGAB COCCCNc1c(C)c(C)nc2cc(-c3ccco3)nn12 12743758 KAMMDPNUOHDONL-UHFFFAOYSA-N 300.362 3.055 0 40 DGAB CCOc1cc(/C=C2\N=C(c3ccccc3)OC2=O)ccc1O 1711895 VNAJXAITGYSVKP-UVTDQMKNSA-N 309.321 3.135 0 40 DGAB COc1ccc(C(=O)OCC(=O)c2ccc[nH]2)c2ccccc12 9498448 XCSCPZVZECCIAV-UHFFFAOYSA-N 309.321 3.216 0 40 DGAB C[C@@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCSCC2)C1 1889138903 FXIMIWBQKOOTRB-DOTOQJQBSA-N 318.486 3.035 0 40 DGAB Cc1oncc1CN1CCC(c2ccc3cccnc3n2)CC1 847034052 KFSLJZRUYWKILY-UHFFFAOYSA-N 308.385 3.306 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)n1cnc2ccccc21 31812005 SLGPDRHBLPROMX-UONOGXRCSA-N 323.396 3.483 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)N(c1nc3c(s1)CCCC3)C2=O 100081041 GIDXMEFKYLCZSF-BTDLBPIBSA-N 318.442 3.338 0 40 DGAB Cc1ccc(SCC(=O)Nc2ccc(C(=O)O)cc2)cc1 10490481 MBGCYTUERNOESY-UHFFFAOYSA-N 301.367 3.424 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)c1ccc2ccccc2n1 31151667 SDKCVPBETHZSLT-UHFFFAOYSA-N 316.311 3.099 0 40 DGAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@H]1CCCO1 21205607 PZSPIKGWSDCGNT-CQSZACIVSA-N 303.358 3.236 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccccc3)CC2)c(OC)c1 11899256 PKMVLPBSVKIAEO-UHFFFAOYSA-N 311.381 3.165 0 40 DGAB COc1ccccc1NC(=S)NC(=O)c1cc(C)cc(C)c1 505888 KQPYSFFEQWGVGF-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB Cc1ccc(SCC(=O)Nc2sccc2C(N)=O)c(C)c1 2637498 NYWZVSVUJYQNKR-UHFFFAOYSA-N 320.439 3.195 0 40 DGAB C[C@H](C(=O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 1615030 OJURQAZMBMFRTD-SSDOTTSWSA-N 300.198 3.361 0 40 DGAB CCC[C@H]1CCCN(C(=O)c2csc(NC(C)=O)n2)CC1 79321138 AXKHUWSLCJYLIW-LBPRGKRZSA-N 309.435 3.144 0 40 DGAB COc1ccccc1CNC(=O)COc1cccc(Cl)c1 3564390 OWVODBDBFPKPIE-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@H]1CC=CCC1 32930636 OSURHZUJQOGZST-JTQLQIEISA-N 300.280 3.318 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 7920344 JPGJNRPILJDBHK-UHFFFAOYSA-N 322.364 3.268 0 40 DGAB COC(=O)c1cccc(NCc2nc(-c3ccccc3C)no2)c1 52896187 VJNJMQZSXUASGU-UHFFFAOYSA-N 323.352 3.444 0 40 DGAB COc1ccc(C(=S)N2CCc3ccccc3C2)cc1OC 8163962 VFDZCDSGKDBNKW-UHFFFAOYSA-N 313.422 3.438 0 40 DGAB O=C(NCC1CC1)c1cc(-c2ccco2)nn1-c1ccccc1 22972092 CXCQMEARMHPQMA-UHFFFAOYSA-N 307.353 3.272 0 40 DGAB COc1c(Br)cc(C(C)(C)C)cc1C(=O)N(C)C 57339332 VDECZGSJZVQTDF-UHFFFAOYSA-N 314.223 3.457 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103769132 MRDDKGSOAPBVGT-LOWDOPEQSA-N 311.376 3.070 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1459912 DQCWKOQAXQYJFX-KRWDZBQOSA-N 322.408 3.236 0 40 DGAB CCSc1ccccc1NC(=O)c1c[nH]c(=O)c(Cl)c1 55704627 QQFCHUBOGYCXQL-UHFFFAOYSA-N 308.790 3.393 0 40 DGAB O=C(COC(=O)Cc1cccs1)Nc1ccccc1Cl 3234939 ADLVCRRPLWNZPJ-UHFFFAOYSA-N 309.774 3.126 0 40 DGAB COc1ccc([C@H](C)Nc2nc(C)c(C(=O)O)s2)cc1OC 20156591 GDUCKCFFGVEELI-QMMMGPOBSA-N 322.386 3.340 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(Cc3ccsc3)CC2)n1 44585966 MDJQHOHYQYAVGT-CYBMUJFWSA-N 320.462 3.133 0 40 DGAB Cn1ccnc1SCc1cccc(C(=O)NCC2CCC2)c1 58393616 PDYRWJVMGWQHOB-UHFFFAOYSA-N 315.442 3.242 0 40 DGAB O=C(NCC1CCN(Cc2cccs2)CC1)[C@H]1CC=CCC1 58344338 MQQULNOOCKMKIU-INIZCTEOSA-N 318.486 3.433 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)cc1 18048093 CTGSQMVIYMHBSF-CQSZACIVSA-N 321.380 3.372 0 40 DGAB CC(C)c1ccc(NC(=O)CCNC(=O)Cc2ccccc2)cc1 12777425 GPNHNAYVNPPRHN-UHFFFAOYSA-N 324.424 3.498 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)[C@@H](C(N)=O)c1ccccc1 12816268 YGMPQEQVKHJUPN-OAHLLOKOSA-N 322.330 3.364 0 40 DGAB Cc1ccc([C@@H]2SC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 4085513 LTCDNRNJGSQRKJ-OLZOCXBDSA-N 323.414 3.431 0 40 DGAB CC(C)(CN1CCC[C@H]1CC1CCCCC1)S(C)(=O)=O 92644146 KYXCMRPJZLXALI-HNNXBMFYSA-N 301.496 3.244 0 40 DGAB CC(C)[C@@H](NC(=O)Cc1ccccc1F)c1nc(C2CC2)no1 65476799 RNZDRTCKMQCRFF-OAHLLOKOSA-N 317.364 3.142 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 65412760 MVSDMAZACXZIPB-NSHDSACASA-N 319.336 3.169 0 40 DGAB O=C(NCc1cccnc1N1CCCCC1)Nc1ccccc1 65568408 BDLBLADDOPLCHH-UHFFFAOYSA-N 310.401 3.394 0 40 DGAB COc1cc(F)ccc1NC(=O)NCCCc1nc(C)cs1 65608265 QVLCZBKFVZDSCE-UHFFFAOYSA-N 323.393 3.354 0 40 DGAB CCn1nc(C)c(C(=O)Nc2ncc(Cl)cc2Cl)c1C 27982921 QSONIRBYKKRZGZ-UHFFFAOYSA-N 313.188 3.474 0 40 DGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)Nc1cccc2c1CCCC2 6668204 WBBPHNRIFMXEQZ-GJZGRUSLSA-N 301.386 3.395 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)Nc1ccnn1C1CCCC1 66248782 HUBWGUANUBRQHQ-ACCUITESSA-N 317.414 3.411 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1 9112243 OLPRSXILKLXLAL-UHFFFAOYSA-N 310.353 3.029 0 40 DGAB CC(C)N(C)C(=O)CSc1nc(-c2ccccc2)ns1 67737936 PVWVBQXELSOCGD-UHFFFAOYSA-N 307.444 3.164 0 40 DGAB O=S(=O)(Cc1ccccc1)N1CCC[C@H]1c1cccs1 9365609 BASDNIJFGZCTAP-AWEZNQCLSA-N 307.440 3.415 0 40 DGAB COC[C@@H](NC(=O)Nc1cc(C)cc(C)n1)c1ccc(C)o1 97142879 WUAXFXWMJLTCRL-CYBMUJFWSA-N 303.362 3.109 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cccc(N2CCCC2=O)c1 9455088 JVNMHARRYTXSSZ-GOSISDBHSA-N 320.392 3.231 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2ccc(-c3cnco3)cc2)cn1 71796723 LHYFUKZGWWXEAR-INIZCTEOSA-N 322.368 3.052 0 40 DGAB Cc1csc([C@H](C)CNC(=O)Nc2cnn(C(C)(C)C)c2)n1 97113330 VPXMETQSTLSXJA-SNVBAGLBSA-N 321.450 3.328 0 40 DGAB CC(C)N(CCO)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 97113956 QQEAWPXXMHENEU-UHFFFAOYSA-N 322.739 3.176 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2cccs2)n1 71870045 REDAPWXBTKNWGH-OAHLLOKOSA-N 317.458 3.185 0 40 DGAB O=C1NC(=O)/C(=C/c2ccc(-n3cnc4ccccc43)cc2)S1 96861713 RAZNKKMSLYQFAQ-DHDCSXOGSA-N 321.361 3.349 0 40 DGAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)O)c1 97035846 QIRDMHDXPJEURN-KBPBESRZSA-N 315.394 3.175 0 40 DGAB CC[C@@H](NC(=O)N(C1CC1)[C@H](C)c1ccco1)c1noc(C)n1 95409980 NIUDBYCXYJQUBD-ZWNOBZJWSA-N 318.377 3.357 0 40 DGAB CC[C@H](NC(=O)N1CCC2(CCOCC2)C1)c1cccs1 73794859 STJGALFYNSGVDO-ZDUSSCGKSA-N 308.447 3.411 0 40 DGAB O=C(Nc1nc2ccc(F)cn2n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1 95975346 WHNPGIKLYPDKIO-YNEHKIRRSA-N 316.380 3.413 0 40 DGAB O=C(NO[C@@H]1CCCCO1)Nc1ccc(N2CCCCC2)cc1 95942363 MIASDKSMFQCAKQ-MRXNPFEDSA-N 319.405 3.257 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)NCc2nc(C)c(C)o2)C1 89275091 HTEUBWJDKLGKNC-STQMWFEESA-N 311.451 3.155 0 40 DGAB CCc1nc2c(s1)[C@@H](N(C)Cc1nc(C3CC3)no1)CCC2 89295780 SRRUWRRMDZWCLV-LBPRGKRZSA-N 318.446 3.475 0 40 DGAB C[C@H](C(=O)OC(C)(C)C)N(C)c1ncnc2cc(Cl)ccc12 75093133 LPIFFYDJKCKGRZ-SNVBAGLBSA-N 321.808 3.450 0 40 DGAB O[C@]1(C(F)(F)F)NN=C2/C(=C/c3ccccc3)CCCC[C@@H]21 408563854 QWQLPPNAJNWOIE-YLNVSZPXSA-N 310.319 3.470 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1 20141847 SKYPLZUKJUUKPD-UHFFFAOYSA-N 315.325 3.130 0 40 DGAB CC(=O)N1CCc2c(NCc3nc4ccccc4n3C)cccc21 545978172 CBQUBRKMVMSGHY-UHFFFAOYSA-N 320.396 3.094 0 40 DGAB COc1ccccc1-c1nnc2n1N[C@@H](c1ccccc1)S2 3843165 VAHZYTFQYUZSSG-OAHLLOKOSA-N 310.382 3.302 0 40 DGAB biogenic OCc1c(Br)nc2ccccc2c1Br 71256345 MUTCPOGCJJFRGQ-UHFFFAOYSA-N 316.980 3.252 0 40 DGAB CC1=CN(C(=O)C(C)C)N(C(C)(C)C(=O)O)c2ccccc21 38337634 NNISWMDBAYERLS-UHFFFAOYSA-N 302.374 3.130 0 40 DGAB CCCC1=NN(C(=O)c2ccc(F)cc2)[C@](O)(C(F)(F)F)C1 32100695 QQQLEDYMFYXCHR-CYBMUJFWSA-N 318.270 3.079 0 40 DGAB COc1ccc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1 72255979 QBKZJWUAIIYGGF-UHFFFAOYSA-N 322.368 3.052 0 40 DGAB O=C(O)c1csc(CN2CCc3c(Cl)cccc3C2)n1 566358660 LQUPAFLYJRDKNO-UHFFFAOYSA-N 308.790 3.053 0 40 DGAB O=C1CCCN1c1ccc(NC(=S)NC2CCCC2)cc1 225277986 QMIZUNQDJYJWQW-UHFFFAOYSA-N 303.431 3.042 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)c(C)c2)c1 225320942 JIPXTBOPOBYZJZ-UHFFFAOYSA-N 313.353 3.351 0 40 DGAB Cc1csc(NC(=O)c2csc(NCc3ccco3)n2)n1 44902609 JBNHKLGRVZPAJQ-UHFFFAOYSA-N 320.399 3.365 0 40 DGAB COc1ccccc1O[C@H](Cc1ccccc1Cl)C(=O)O 225056604 ANZINJFLMYYPDX-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CC(C)CCS(=O)(=O)Cc1ncc(-c2cccc(F)c2)o1 83026392 XXERJHBPOFODGW-UHFFFAOYSA-N 311.378 3.442 0 40 DGAB C[C@@H](NC(C)(C)CNC1C[C@@H]2CC[C@H](C1)N2C)c1ccccc1 192863058 BDUHUYJFDGQVPD-BPIHKTFHSA-N 315.505 3.331 0 40 DGAB CCCCc1noc(C2CCN(C(=O)c3ccoc3C)CC2)n1 41121912 YAQOZOJPBNMVOL-UHFFFAOYSA-N 317.389 3.333 0 40 DGAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)N1CCCCCC1 225724163 SDZXWRVFZADCFK-UHFFFAOYSA-N 318.804 3.058 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)cn1 582667278 KUHAQRIXRHXDOC-SFHVURJKSA-N 313.376 3.162 0 40 DGAB COc1ccc(Cc2nc3nccc(-c4ccsc4)n3n2)cc1 95476190 UMUVPPKPJBXPSY-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB Cc1ccc([C@](C)(O)CNC(=O)c2c(F)cccc2Cl)o1 96444513 LUXXSODDQBCTSX-OAHLLOKOSA-N 311.740 3.018 0 40 DGAB CCN(CC)Cc1cncc2c1CCN(Cc1cccc(C)n1)C2 96067399 NILMAEKPHQFKIR-UHFFFAOYSA-N 324.472 3.185 0 40 DGAB CCCn1ccc2ccc(NC(=O)N3CCC[C@@H]3CO)cc21 95962289 NLIPMQCQESYXRM-OAHLLOKOSA-N 301.390 3.040 0 40 DGAB CCS(=O)(=O)c1ccccc1N[C@@H](C1CC1)[C@@H]1CCCCO1 585091256 BBEZWPLTYSFYDK-RDJZCZTQSA-N 323.458 3.240 0 40 DGAB O=C(Nc1nc(Br)cc2ccccc12)[C@H]1CCCO1 585125371 PQCJSDPRXPYDCC-LLVKDONJSA-N 321.174 3.115 0 40 DGAB CCCCn1cc(CN2CC[C@H](c3nc(C)c[nH]3)C2)c(C)n1 257319568 VTBLYJZVZMNPQI-HNNXBMFYSA-N 301.438 3.013 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@H](C)c1nccn1C)CC3 378496066 LNAMIWJARIXPEV-KGLIPLIRSA-N 308.429 3.418 0 40 DGAB O=C(c1cc[nH]n1)N1CCC(Cc2ccnc3ccccc23)CC1 585178780 MGUQMCYSXVFOLG-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB Fc1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)cc1 585102949 LZWRPQDDSLKICF-KRWDZBQOSA-N 319.420 3.233 0 40 DGAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCNC[C@@H]1CCO2 1534646914 WDOKSHNKBAAYQC-GJZGRUSLSA-N 302.418 3.147 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)c1 169682303 TZHHQUNYLQIQEU-MVJTYMMSSA-N 321.376 3.147 0 40 DGAB CC[C@@H](N[C@@H](C)Cn1cc(Br)cn1)c1ccncc1 163711506 KNQAJUOKOIXNTA-SMDDNHRTSA-N 323.238 3.170 0 40 DGAB CCc1nnc(S/C(=C\c2ccc(Cl)cc2)C(=O)O)[nH]1 7342437 CEGZTECTIZDLAC-YFHOEESVSA-N 309.778 3.238 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C\C(=O)Nc1ccc(F)cc1F 33376502 GKSQYMHKSXOAQR-XQRVVYSFSA-N 311.719 3.312 0 40 DGAB CC[C@@H](C(=O)N1CC(Oc2ccnc(C)c2)C1)c1ccccc1 1889179250 XMVYECRIQPSSBG-GOSISDBHSA-N 310.397 3.173 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 21642484 DHPPJUPFJVDSRX-HOTGVXAUSA-N 324.424 3.401 0 40 DGAB Cc1nc2c(cc1C(=O)NCCC1=CCCCC1)c(C)nn2C 29071779 QQWKARFDGGFIAR-UHFFFAOYSA-N 312.417 3.205 0 40 DGAB Cc1noc(CSc2nc(Cc3ccccc3)c(C)[nH]2)n1 29137032 RDOZTWSHNQRVLQ-UHFFFAOYSA-N 300.387 3.293 0 40 DGAB Cc1ccsc1CCC(=O)N1CCC(c2cncn2C)CC1 1775986077 STTVWAYDGSYUNT-UHFFFAOYSA-N 317.458 3.129 0 40 DGAB CSc1ccc(CNc2ncncc2-c2nc(C)no2)cc1 244975300 IKJCCWMAQXLTLO-UHFFFAOYSA-N 313.386 3.169 0 40 DGAB FC(F)(F)c1cnc(Sc2nnnn2C2CC2)c(Cl)c1 40004987 WBGIQDZEOCXHIL-UHFFFAOYSA-N 321.715 3.226 0 40 DGAB O=C(Nc1ccc(CCO)cc1)c1nc(Cl)ccc1Cl 40739086 PKDBMMJEEVWPRP-UHFFFAOYSA-N 311.168 3.176 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccc(CSc2ccccc2)o1 32765536 QLVDXNONDIWHSQ-CYBMUJFWSA-N 317.410 3.481 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](NC=O)c1ccccc1Cl 346641 ATRHFXRGWPUVPR-INIZCTEOSA-N 316.788 3.383 0 40 DGAB C[C@@H](CCNC(=O)[C@H]1CCOC1)c1cccc(C(F)(F)F)c1 78966941 RIYGUDWSHHKEEU-AAEUAGOBSA-N 315.335 3.352 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 78935660 YFIFLJAHKUAVNY-MOPGFXCFSA-N 324.424 3.047 0 40 DGAB CCOC(=O)CCCCCC(=O)c1ccc(OC)cc1OC 2580425 MPGHKLILYFOSPV-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB CCCCN1C(=O)/C(=C\c2ccccc2F)C(C(=O)OC)=C1C 6647208 XXUQXEXZDSSTAY-KAMYIIQDSA-N 317.360 3.298 0 40 DGAB O=C(CCCc1nc(-c2ccccc2)no1)NCc1ccccc1 6811717 LYAYDOAWJARQRJ-UHFFFAOYSA-N 321.380 3.376 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 7192795 JGTULEFFCMSNBB-VHSXEESVSA-N 319.455 3.305 0 40 DGAB COc1ccc(CCC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 7718128 XRMRHZXBSQRDAW-UHFFFAOYSA-N 318.398 3.234 0 40 DGAB Cc1nc(SCC(=O)NCC2CC2)c2c(C)c(C)sc2n1 22167742 HSRPSEGHVBTXQS-UHFFFAOYSA-N 321.471 3.235 0 40 DGAB C[C@H](CCc1ccccc1)CC(=O)N(C)C1CCN(C)CC1 69420613 RRSJELXAZVCGII-MRXNPFEDSA-N 302.462 3.198 0 40 DGAB O=c1oc(-c2ccco2)nn1CCOc1ccc2ccccc2c1 47438997 HJLUOWBUMUIWLF-UHFFFAOYSA-N 322.320 3.329 0 40 DGAB COC(=O)CCCNC(=O)c1ccccc1Oc1ccccc1 22750165 XUNSMXYTDYPRDM-UHFFFAOYSA-N 313.353 3.162 0 40 DGAB CCCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 9432036 VPGOUCNROOWYHI-UHFFFAOYSA-N 315.417 3.493 0 40 DGAB CCN(C)C(=O)c1cccc(C(=O)N2C[C@H](C)CCC[C@@H]2C)c1 72295443 NOFWSKYYNWZDMM-CABCVRRESA-N 316.445 3.429 0 40 DGAB C[C@@H]1[C@@H](NC(=O)Cc2ccc(-n3cccn3)cc2)CCC[C@H]1C 105656912 WIQNOYAIUYGHGP-VKJFTORMSA-N 311.429 3.356 0 40 DGAB COc1ccccc1CN[C@@H](C)c1ccc2c(c1)CCC(=O)N2 47827930 NZIPTBFNGOBCHR-ZDUSSCGKSA-N 310.397 3.431 0 40 DGAB COc1cccc(C(=O)N2CCC(Nc3ccccc3)CC2)c1 48291856 NHBIKRUVYFFHHN-UHFFFAOYSA-N 310.397 3.412 0 40 DGAB CCc1ccc(Cl)c(CC)c1NC(=O)C1=NN(C)C(=O)CC1 27450489 HGWLUEYRWLRIFN-UHFFFAOYSA-N 321.808 3.012 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2cccc3ncccc23)cn1 26986252 WHRUNVZHGHSJRB-GFCCVEGCSA-N 322.368 3.078 0 40 DGAB COCC(=O)Nc1cccc(CNCc2ccc(Cl)s2)c1 45822761 MKWGTCTYRWBSSV-UHFFFAOYSA-N 324.833 3.276 0 40 DGAB COc1cccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)c1 3443456 BDFYKAGUROCFLO-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=C(COC(=O)CCc1c[nH]c2ccccc12)Nc1ccccc1 3457493 UNYQRKBADRFFQL-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(Cl)cc2F)n1 48405910 JXVCIZBBVMEXJI-SNVBAGLBSA-N 323.799 3.359 0 40 DGAB C[S@@](=O)c1ccc(C(=O)Nc2nc(C3CC3)cs2)cc1 48942628 QDXHTPJFXPAZFR-FQEVSTJZSA-N 306.412 3.010 0 40 DGAB COc1ccccc1NC(=O)CC1(C(=O)O)CCCCCC1 13249841 UAHUJZSCFOBMSN-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)cn1 69628393 OJILFOOGDOVLBH-LJQANCHMSA-N 319.408 3.480 0 40 DGAB Cc1ccccc1CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69661383 VZKSPXSARLYPDK-ZWKOTPCHSA-N 300.446 3.013 0 40 DGAB CCN(CC)[C@H](C(=O)NC1CCSCC1)c1ccccc1 69902600 KPDMRYXRYDICDC-INIZCTEOSA-N 306.475 3.081 0 40 DGAB Cc1cnc(NC(=O)c2ccc(OCC(F)(F)F)nc2)s1 14199231 MNKJKRKSZYPENJ-UHFFFAOYSA-N 317.292 3.040 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc2C1 5696347 GEQXSECHWINMQT-MXWKQRLJSA-N 322.430 3.097 0 40 DGAB CC[C@H](C(=O)OC)N(C(=O)c1csnc1C)c1ccccc1 96008793 CESHRVVNALTSFL-CQSZACIVSA-N 318.398 3.050 0 40 DGAB COc1ccc(/C=N/NC(=O)Cc2ccc(Cl)cc2)cc1F 15514444 ZPJJKHARLPQBKW-VXLYETTFSA-N 320.751 3.181 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2ccc(F)cc2C)cc1 7312073 MTQQBKBVEJERJR-UHFFFAOYSA-N 300.333 3.274 0 40 DGAB COc1cc(OC)cc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)c1 96012475 ZANCCECOFYIVRC-IBGZPJMESA-N 324.380 3.401 0 40 DGAB COc1ccc(-c2cc(CSc3nnc(N)s3)on2)cc1 9054513 KKLJRKDQNGSGNY-UHFFFAOYSA-N 320.399 3.076 0 40 DGAB CCOc1ccccc1CNC(=O)COc1ccc(C)c(C)c1 20459793 DLZQKGONUCCHPW-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB O=C1[C@H](N[C@H]2CCC[C@H](C3CC3)C2)CCCN1c1cccnc1 97108628 UOYFBCXMVHFOEX-XYJFISCASA-N 313.445 3.135 0 40 DGAB CCNCc1ccccc1NC(=O)Cc1ccc(F)c(F)c1 96461901 QKMPJBICWCZOFE-UHFFFAOYSA-N 304.340 3.256 0 40 DGAB CCCN(Cc1cn2c(C)cc(C)nc2n1)CC(F)(F)F 71902312 QPCGVHGNOQFLGJ-UHFFFAOYSA-N 300.328 3.120 0 40 DGAB Cc1cc(NC(=O)C2CCOCC2)n(-c2ccc(Cl)cc2)n1 84105028 CSVYPPJMBUVPOL-UHFFFAOYSA-N 319.792 3.199 0 40 DGAB O=C(NCc1ccccc1N1CCCC1)[C@@H]1C[C@H]1c1ccco1 84504766 ODDZSQPYVBOXFE-HZPDHXFCSA-N 310.397 3.300 0 40 DGAB CC(C)CN(CCC(=O)O)C(=O)/C=C/c1ccc(Cl)s1 95389912 HGRNRTKHNZWLOQ-GQCTYLIASA-N 315.822 3.374 0 40 DGAB C[C@@H]1CO[C@H](c2ccccc2)CN1C(=O)c1ccc2[nH]ncc2c1 95405831 UABCDYDWRJFFFJ-ACJLOTCBSA-N 321.380 3.165 0 40 DGAB COC(=O)c1ccccc1NCc1ccn(-c2ccccc2)n1 95456305 PBGMTZLAEOOFOJ-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB COc1cccc(C[C@@H](C)NCc2ccc([S@](C)=O)cc2)c1 85323761 GVRYQWPBLPZBOW-JLCFBVMHSA-N 317.454 3.153 0 40 DGAB C[C@H](CCCO)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95995578 VPUGUCSEJGHPDY-OCCSQVGLSA-N 316.367 3.035 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1Cl)[C@H]1C=C[C@H]2CC1 409377876 LWINRDVJXKUSAO-GVARAGBVSA-N 301.773 3.037 0 40 DGAB Cc1ccc(/C=C/CC(=O)NCc2cc(C(=O)O)c(C)o2)cc1 95989481 FSHXRPFATJLHHX-ONEGZZNKSA-N 313.353 3.314 0 40 DGAB c1csc(CN2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@@H]3C2)c1 306134014 NBTXCAPYJYBIDC-GOEBONIOSA-N 322.437 3.236 0 40 DGAB Cc1ccc(OCC(=O)Nc2cccc(-c3nc(C)no3)c2)cc1 33012783 VBQBUDSZYDIRIW-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CCCCNC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181828248 INSHIAFTASQXPS-UHFFFAOYSA-N 306.793 3.205 0 40 DGAB Cc1noc(Cl)c1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 79336353 HLLWSECYXSCQPM-SSDOTTSWSA-N 314.719 3.335 0 40 DGAB CC(C)(C)NCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616938 OFUBZEMPUGFWBP-UHFFFAOYSA-N 323.400 3.343 0 40 DGAB Cc1oncc1C(=O)NC[C@@H](c1ccsc1)c1ccco1 675007821 SIBXJTQWDXMEAZ-ZDUSSCGKSA-N 302.355 3.199 0 40 DGAB CC1(C)[C@@H](C(=O)Nc2nc(-c3cccs3)cs2)[C@H]1C(=O)O 71288158 UHLOOCBRNCBVDR-ZJUUUORDSA-N 322.411 3.167 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccccn2)cc1 72211002 LDKSNHAVAXYIDM-QGZVFWFLSA-N 316.426 3.306 0 40 DGAB Cc1cc(CNC2CCN([C@@H](C)Cc3ccccc3)CC2)no1 560126789 HUKHBAUBECBYOY-HNNXBMFYSA-N 313.445 3.168 0 40 DGAB CC(C)Oc1ccccc1C(=O)NCCN(C)c1ccccc1 219741007 GJYMPPFAYUOBFL-UHFFFAOYSA-N 312.413 3.340 0 40 DGAB CC(=O)c1cccc(NC(=O)c2c(C)nc3ccc(C)cn23)c1 71459240 VJKMMPXTRNZLQB-UHFFFAOYSA-N 307.353 3.406 0 40 DGAB COC(=O)c1cc(Br)c(Br)cc1OC 45957510 FVJYOEGPKVODEA-UHFFFAOYSA-N 323.968 3.007 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NC1CCCC1 223900592 WLMQXNZYAAOWFI-ZDUSSCGKSA-N 320.408 3.012 0 40 DGAB CCOC(=O)[C@H]1Cc2ccccc2CN1Cc1ccccc1F 199415830 SMAXFIWTMXTHPB-GOSISDBHSA-N 313.372 3.316 0 40 DGAB CCCc1ccccc1NC(=O)N1CCN(c2ccccn2)CC1 44080206 LPAATALILRXDIQ-UHFFFAOYSA-N 324.428 3.388 0 40 DGAB CCOC(=O)N1CCC(N[C@@H](c2ccc(F)cn2)C(C)C)CC1 195555448 GFEZPQXCNIIYBT-MRXNPFEDSA-N 323.412 3.128 0 40 DGAB O=C(Nc1ccccc1F)[C@@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345229 PUHLOODHUJZMOU-QWHCGFSZSA-N 313.328 3.339 0 40 DGAB COc1ccccc1C[C@H](Oc1cccc(Cl)c1)C(=O)O 225096417 BJHFXDZPQOHKDM-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COC(C)(C)C(=O)Nc1ccc(OC(C)C)c2ncccc12 225881780 LMBDLRQCYDMMMB-UHFFFAOYSA-N 302.374 3.386 0 40 DGAB Cc1nnc(-c2ccc(C(=O)OCCCc3cccnc3)cc2)o1 96467301 SZBOUBJVDVAFJS-UHFFFAOYSA-N 323.352 3.230 0 40 DGAB Nc1ccc(Br)cc1-c1nc(-c2ccoc2)n[nH]1 97105553 DKHSOGZTZBGIJG-UHFFFAOYSA-N 305.135 3.076 0 40 DGAB CCOc1ncccc1NC(=O)N[C@@H](c1nccs1)C1CC1 96434055 ZGDJEJAVWQPJEZ-GFCCVEGCSA-N 318.402 3.210 0 40 DGAB Fc1ccc(Br)cc1OCCC1OCCCO1 95738531 UBRPTFOYBBOBGV-UHFFFAOYSA-N 305.143 3.120 0 40 DGAB Cc1nc(C(=O)N(CCN2CCCC2)c2ccccc2)cs1 96416792 PJAIKCZZRWBFFK-UHFFFAOYSA-N 315.442 3.194 0 40 DGAB C[C@H](CNC(=O)[C@@H]1C[C@H]1c1cccnc1)Sc1ccccc1 245316856 KXHWUTKZIALIFI-XOKHGSTOSA-N 312.438 3.482 0 40 DGAB COc1ccc(OCCCC(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 347585488 WTNMJXRGJXYIPB-GRDNDAEWSA-N 303.402 3.159 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)c2cc(C)cs2)nc(C)n1 257263328 LPINWFSFULFNSV-CYBMUJFWSA-N 316.430 3.174 0 40 DGAB Cc1ccc(OCc2ccccc2)c(NC(=O)N(C)CCO)c1 283033487 PJNLQBJSAMWDBU-UHFFFAOYSA-N 314.385 3.030 0 40 DGAB COc1cccc([C@@H](CNC(=O)Nc2ccc(F)cc2)OC)c1 96390634 BPVAXDFDBWBXPC-MRXNPFEDSA-N 318.348 3.344 0 40 DGAB CC(=O)NCC1(c2ccc(Cl)cc2Cl)CCOCC1 48927580 SUMJTVNZQXAJEO-UHFFFAOYSA-N 302.201 3.178 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N1CCO[C@H]2CCC[C@@H]21 53384730 RWGIXUSOOINRLK-RYUDHWBXSA-N 318.398 3.105 0 40 DGAB CC(=O)Nc1cccc2c1CCN(c1ncnc3sccc13)C2 54125395 PPTNHMBNAJOMRU-UHFFFAOYSA-N 324.409 3.212 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)C1(C)C 97045101 KBXWDAXWFUPGLA-FMKPAKJESA-N 307.434 3.328 0 40 DGAB COc1ccc(OCCCC(=O)NCc2ccc(F)cc2)cc1 5466666 XTHJCPMLZYKYAZ-UHFFFAOYSA-N 317.360 3.310 0 40 DGAB Cc1cc(SCC(=O)N2CCCC2=O)nc2c(C)cccc12 5582361 IFDXMWZREUJALN-UHFFFAOYSA-N 314.410 3.093 0 40 DGAB COc1cccc(-c2nc(-c3cc4ccccc4[nH]c3=O)no2)c1 16228089 PWNUIWNZPFBLLO-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB Cc1ncnc(C(=O)N2CCC(Cc3ccccc3)CC2)c1C 1888859948 ZQKVPGAAIRLMAK-UHFFFAOYSA-N 309.413 3.188 0 40 DGAB O=C(CC1CCCC1)N1CCC[C@@H](COc2ccncc2)C1 1776001250 HTGKYDJRZUPABI-MRXNPFEDSA-N 302.418 3.279 0 40 DGAB CC(C)c1nccn1CC1CN(c2cc(C3CCC3)ncn2)C1 2087122777 GOLZSPRNWASWOW-UHFFFAOYSA-N 311.433 3.200 0 40 DGAB Cc1cc([C@@H](O)CNC(=O)CCSc2ccccc2)c(C)o1 1565519366 FYPHBNZKYQVCLN-INIZCTEOSA-N 319.426 3.228 0 40 DGAB O=C(Nc1nnc(C2CCCCC2)o1)c1ccc2c(c1)OCO2 9520888 RHMREVJYBJYDAJ-UHFFFAOYSA-N 315.329 3.098 0 40 DGAB O=C(Nc1ccc(SCc2ccncc2)nn1)c1ccccc1 11696664 FYHFBAZKIKVZHV-UHFFFAOYSA-N 322.393 3.416 0 40 DGAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccc(F)cc2)c1 15882926 SRMARMWQDLMPMV-UHFFFAOYSA-N 322.339 3.288 0 40 DGAB O=C(COc1ccc(F)cc1)NCC1(c2cccs2)CC1 22680350 ANAYYUXWFSOTLT-UHFFFAOYSA-N 305.374 3.114 0 40 DGAB Cc1nc2ccccc2n1C1CN(Cc2ccc3c(c2)CCO3)C1 1775974554 VGFBTUPWBOLWFH-UHFFFAOYSA-N 319.408 3.337 0 40 DGAB O=C(NCc1nccnc1-c1ccoc1)c1cc2ccccc2o1 575621551 YTHPUMHXSXYZNQ-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB Cn1cccc1[C@@H](O)CCNC(=O)c1cc2ccccc2s1 225592731 PFOJUDSMUUKSCR-AWEZNQCLSA-N 314.410 3.093 0 40 DGAB COC(=O)c1sc2ccccc2c1NC(=O)c1cc(C)no1 12422412 AKZRVQDJIPDVTJ-UHFFFAOYSA-N 316.338 3.237 0 40 DGAB O=C(NCCc1ccc2c(c1)CCO2)C1(c2ccccc2)CC1 74626639 HLBZNBIKEYZJTN-UHFFFAOYSA-N 307.393 3.012 0 40 DGAB COCCN(Cc1ccco1)C(=O)c1cc2cc(F)ccc2[nH]1 25097293 XPZUHIWDBUCJJX-UHFFFAOYSA-N 316.332 3.189 0 40 DGAB CN(C)c1ccc(N/C=C2\N=C(c3ccccc3)OC2=O)cc1 100254310 CNHBWBPUKXKDEI-VBKFSLOCSA-N 307.353 3.010 0 40 DGAB CCCc1nc(CN2CCN(c3ccccc3O)CC2)cs1 40050131 GOHLSWWUGDQUNN-UHFFFAOYSA-N 317.458 3.123 0 40 DGAB O=Cc1cn(CC(=O)Nc2cc(F)cc(F)c2)c2ccccc12 51318997 ZPRYRUVFCPEADW-UHFFFAOYSA-N 314.291 3.371 0 40 DGAB Cc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c(C)c1 351801 INSNIXCGMCWKIP-MSOLQXFVSA-N 301.386 3.364 0 40 DGAB COC(=O)c1sc(C)cc1OC(=O)c1ccc(OC)cc1 351654 TWMQMNGRMVANPS-UHFFFAOYSA-N 306.339 3.071 0 40 DGAB CC(C)(C(=O)NCCc1nc2ccccc2[nH]1)c1ccccc1 29933595 IBQATFQNSKXNGN-UHFFFAOYSA-N 307.397 3.199 0 40 DGAB O=C(CCCc1ccccc1)N1CCN(c2ccc(O)cc2)CC1 46571409 LNQQTNGJPKLSBD-UHFFFAOYSA-N 324.424 3.064 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2cccnc2)cc1 32824381 VRHWDTLCCCDVQF-VEGGFIAOSA-N 308.381 3.467 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)n[nH]1 76059817 RSNKEVHDFWHCRT-CQSZACIVSA-N 301.390 3.256 0 40 DGAB O=C(CSc1nnnn1C1CCCCC1)c1ccc(F)cc1 1340468 WOUIWOVFSGFGRJ-UHFFFAOYSA-N 320.393 3.292 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1 78902067 RGKQFQQCPJWXRI-CQSZACIVSA-N 303.431 3.118 0 40 DGAB C[C@@H](c1ccccc1F)n1cc(C(=O)NC2CCCCC2)nn1 4985812 FIWTWYJFIOAKAC-LBPRGKRZSA-N 316.380 3.089 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)NCc1ccccc1 6231853 AWTLKHIMHGHORL-UHFFFAOYSA-N 309.287 3.401 0 40 DGAB CCN(C(=O)CC(=O)OC)c1nc(-c2ccc(C)cc2)cs1 6826543 IXMFQXVQHSJJBX-UHFFFAOYSA-N 318.398 3.035 0 40 DGAB Cc1noc([C@@H]2CCCN(Cc3ncc(C(C)(C)C)o3)C2)n1 52862905 KLGGAISSGFCNBE-GFCCVEGCSA-N 304.394 3.043 0 40 DGAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccccc3C)C(=O)[C@H]2C1 105865415 UYWREAZGQLMMCC-IYBDPMFKSA-N 313.397 3.105 0 40 DGAB OC[C@@H](CNc1cnc2ccccc2n1)Cc1ccc(F)cc1 54058527 WIXUJVCGZBMNFI-CQSZACIVSA-N 311.360 3.032 0 40 DGAB Cc1ccc(C(=O)c2cccc(CN3CCOCC3)c2)c(C)c1 43211005 SCWJCLUVVUTRQC-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CN(C)CCC[C@]12O[C@@H](c3ccccc31)[C@H](O)c1ccccc12 104197906 QYDFQGAINLZXRW-HSALFYBXSA-N 309.409 3.390 0 40 DGAB c1ccc2c(c1)ncn2-c1ccc(-c2ccnc3ncnn23)cc1 1390292 LKQJINYEHSDHIK-UHFFFAOYSA-N 312.336 3.130 0 40 DGAB CCSc1nc(C)c(CCOc2ccccc2Cl)c(=O)[nH]1 1443195 ZQAFQFMLHDZHCL-UHFFFAOYSA-N 324.833 3.465 0 40 DGAB COc1ccc(CC(=O)N(Cc2ccsc2)C2CC2)cc1 44446537 AIMKOXQVJYRXIB-UHFFFAOYSA-N 301.411 3.490 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccnc2Cl)c(C)c1 3397220 HRSOBJORCMFGAJ-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB O=C(Nc1nccs1)[C@H]1CCCN(CCc2cccs2)C1 58201458 ZMOQOJQOVLSRSC-LBPRGKRZSA-N 321.471 3.098 0 40 DGAB O=C(N[C@@H]1CCCC[C@@H]1C(F)(F)F)[C@@H]1Cc2ccccc2O1 58202055 CJYBXNMSUDGWHG-SCRDCRAPSA-N 313.319 3.227 0 40 DGAB CCC(=O)N1CCCC[C@@H]1C(=O)N[C@H](C)c1cc(C)sc1C 58263774 UFSMLAOWLDBNTC-IUODEOHRSA-N 322.474 3.333 0 40 DGAB COc1ccccc1CC(=O)Nc1c(F)c(F)cc(F)c1F 3336833 HCYWBNLWRVQNRU-UHFFFAOYSA-N 313.250 3.433 0 40 DGAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccccn1 23055361 BMULELCCJILYJY-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB C[C@@H](NC(C)(C)CNC(=O)CC(F)(F)F)c1ccccc1 68385586 UHQYSKSNADDUPF-LLVKDONJSA-N 302.340 3.184 0 40 DGAB O=C(COc1ccccc1)Nc1cccc(-c2ccc(CO)o2)c1 20143721 NLXNDGBADZVWGH-UHFFFAOYSA-N 323.348 3.456 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@@H]1CCc2cc(Cl)ccc21 58393342 PMZNLUVXQLVCPI-MRXNPFEDSA-N 318.852 3.225 0 40 DGAB CCCN(Cc1ccccc1)Cn1ncc2ccccc2c1=O 58482131 CENKRMBINBYPFY-UHFFFAOYSA-N 307.397 3.266 0 40 DGAB CCCOC(=O)c1ccc(-c2n[nH]c(=O)c3ccccc23)cc1 2280101 BOEGFEDHJNTYIR-UHFFFAOYSA-N 308.337 3.157 0 40 DGAB Cc1ccc(-c2c(C(=O)O)nnn2Cc2cccc(F)c2)cc1 62317361 CCQLXNDXHYSAGT-UHFFFAOYSA-N 311.316 3.139 0 40 DGAB C[C@]12C[C@@H](NC(=O)N1c1ccccc1)c1cc(C(=O)O)ccc1O2 110769453 OLABMJSJFJZDLF-KDOFPFPSSA-N 324.336 3.154 0 40 DGAB CC(C)(C)c1ccc(OCCCC(=O)NCc2cn[nH]c2)cc1 12849741 WXWJZADECZZMQX-UHFFFAOYSA-N 315.417 3.183 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2ccc(F)c3cccnc23)cn1 69921740 CJPWMNGXHHSUPI-KRWDZBQOSA-N 310.376 3.445 0 40 DGAB COc1ccc2nc(C(=O)Nc3ccccc3C(=O)O)ccc2c1 12990865 ZSECZROHECLIDJ-UHFFFAOYSA-N 322.320 3.194 0 40 DGAB COc1ccccc1NC(=O)CN(C)Cc1sccc1C 8309871 LHWKRGAXWAIPIR-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB Cc1cc(C)n(-c2ccc(COC(=O)c3cccnc3)cc2)n1 8313543 UJVWLEDRALIRPY-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB C[C@@H](Sc1nnnn1CC(F)(F)F)c1ccc(F)cc1 69417229 DDBWPIYOFFYGIL-SSDOTTSWSA-N 306.288 3.228 0 40 DGAB Cc1cccc(-c2nc(CNC(=O)c3ccncc3)cs2)c1 13737001 UOTBLWRSVGBKCK-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CC(=O)Nc1ccccc1OS(=O)(=O)c1cc(C)ccc1C 5120568 MACVOXYHZDDQMQ-UHFFFAOYSA-N 319.382 3.030 0 40 DGAB CCOc1cc(CNCCc2cccc(OC)c2)ccc1OC 4306985 LTGDSAMQOQHQJG-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB CCOc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 8715163 KDCGXNNOHIDCJT-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=C(Nc1ccc(F)c(C(F)(F)F)c1)N1CCC(CO)CC1 65438721 KWELOOVMTWIQPT-UHFFFAOYSA-N 320.286 3.081 0 40 DGAB CC(C)Oc1cncc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)c1 91693470 NUTVMBBZHGTKSB-HZPDHXFCSA-N 315.373 3.016 0 40 DGAB CCc1ccc(N2C(O)=Nc3ccccc3S2(=O)=O)cc1 4483811 IWETXJJFOYBDEU-UHFFFAOYSA-N 302.355 3.003 0 40 DGAB CCc1cc(=O)[nH]c(-c2ccc(NCc3ccc(F)cc3)nc2)n1 69537141 DPLMUGODFVGGKT-UHFFFAOYSA-N 324.359 3.146 0 40 DGAB O=C(O)c1cc(-c2cccs2)nc2cc3c(cc12)OCCO3 4502192 KFQATEOFTMUMAN-UHFFFAOYSA-N 313.334 3.433 0 40 DGAB Cc1cc(OCC(=O)NC(C)(C)C)cc(C)c1Br 4694348 UBPQDXLZTLPVFB-UHFFFAOYSA-N 314.223 3.359 0 40 DGAB CCCCOCCCNC(=O)Cc1c(F)cccc1Cl 4704424 JQCNMADXRREISL-UHFFFAOYSA-N 301.789 3.345 0 40 DGAB Cc1ccc2cccc(OS(=O)(=O)c3ccc(F)cc3)c2n1 4797742 UBTNQEGGZPZUOV-UHFFFAOYSA-N 317.341 3.450 0 40 DGAB CCOC(=O)c1ccc2nc(C)c(CN3CCCC3)c(O)c2c1 8714113 RJKGQOROSOIPAJ-UHFFFAOYSA-N 314.385 3.021 0 40 DGAB c1ccc([C@H]2CCN(CCc3ccc4c(c3)OCCO4)C2)cc1 67340291 UXKGSENQLRTHPU-SFHVURJKSA-N 309.409 3.490 0 40 DGAB COc1cccc([C@H](CNc2cc(Cl)nc(C)n2)N(C)C)c1 60340058 QVMIONVZXJJHIL-AWEZNQCLSA-N 320.824 3.162 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)/C=C/c1ccc(C)o1)OCO2 7779127 YFZVAPHAMLMEQC-AATRIKPKSA-N 313.309 3.171 0 40 DGAB O=C1N[C@]2(CCc3ccccc32)C(=O)N1C/C=C/c1ccccc1 8890382 AAWHYCIONABAOK-ZGBFETHSSA-N 318.376 3.093 0 40 DGAB Cc1n[nH]c(C)c1CNCc1c(C)nn(Cc2ccccc2)c1C 97159199 OKDIMQUQZPJUHL-UHFFFAOYSA-N 323.444 3.178 0 40 DGAB CSC1(CNc2nc(C(C)(C)C)ns2)CCOCC1 97165396 ARBFBAXVOLICCK-UHFFFAOYSA-N 301.481 3.160 0 40 DGAB CCO[C@@H](C)C(=O)Nc1ccc(Br)cc1C(C)=O 97107078 LWFFFQVMGWHQHD-VIFPVBQESA-N 314.179 3.015 0 40 DGAB CC(=O)NC1CCC(NC[C@H](C)c2ccc(F)c(F)c2)CC1 97102561 WVPVVDBAWUPZMO-QGLTVNCISA-N 310.388 3.105 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)Nc2ccccc2N(C)C)n1 96014204 LVZHYNIMZBMUPO-NSHDSACASA-N 318.446 3.443 0 40 DGAB CCc1nnc(CNc2ccc(Br)cc2C(C)=O)o1 97371506 GPTRMSOZJUTUDP-UHFFFAOYSA-N 324.178 3.209 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@]3(CCc4ccccc43)C2)n1 97378559 RJOIGXCUIPYHNO-LJQANCHMSA-N 323.396 3.096 0 40 DGAB COC(=O)c1ccc(C)c(OCc2nnc(C3CCC3)o2)c1 97019511 KSAGKNLLHFRSHD-UHFFFAOYSA-N 302.330 3.011 0 40 DGAB CC[C@@H](C)[C@@H]1CCCCN1C(=O)CCn1c(C)csc1=O 84721663 QZDYCNJHTMDJNN-OCCSQVGLSA-N 310.463 3.036 0 40 DGAB COC(=O)C1=C(C)O[C@@H](CN[C@H](C)c2ccc(Cl)cc2)C1 95446907 XSOXYMCLBXLXSF-QMTHXVAHSA-N 309.793 3.227 0 40 DGAB CC(=O)c1c(F)cccc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1 95418483 QUZFNLWCFWXMBP-GFCCVEGCSA-N 322.380 3.132 0 40 DGAB Cc1nc(-c2ccccc2)oc1C(=O)NCc1ccn(C(C)C)n1 73861043 FKNQDJXXEHNSPY-UHFFFAOYSA-N 324.384 3.357 0 40 DGAB CCS(=O)(=O)CCN[C@@H](C)c1cc(Cl)ccc1Cl 95967656 JXUUHVMTOCTYGS-VIFPVBQESA-N 310.246 3.079 0 40 DGAB CCc1nnc(CN2CC=C(c3c[nH]c4ccccc34)CC2)o1 89296248 HIYSOONXCFODDD-UHFFFAOYSA-N 308.385 3.403 0 40 DGAB O=C(CCn1cc(Cl)cn1)N[C@H]1CCCc2ccccc21 27969101 IEBDQDDZJDEVQE-HNNXBMFYSA-N 303.793 3.120 0 40 DGAB Cc1cc(Nc2nc(-c3cn(C)nc3C)cc(C(F)F)n2)on1 36618647 VJLYJMGMOMXROT-UHFFFAOYSA-N 320.303 3.163 0 40 DGAB Cc1cnc([C@@H](NC(=O)[C@@H](C)N2CCCCCC2)C2CC2)s1 89702367 IKSKXXFNHVIDTF-HIFRSBDPSA-N 321.490 3.283 0 40 DGAB O=C(O)c1cccc(NC(=O)c2cccc(CN3CCCC3)c2)c1 516970862 DUNHYPSLIHIFGV-UHFFFAOYSA-N 324.380 3.233 0 40 DGAB C[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(Br)s1 72324498 DHYMOBDSLLFTKQ-WDEREUQCSA-N 315.280 3.179 0 40 DGAB O=C(NCc1cccnc1)NCc1cccc(C(F)(F)F)c1 32841330 QJBSBZDNYDWMBX-UHFFFAOYSA-N 309.291 3.100 0 40 DGAB Cc1ccccc1CN1CC[C@@H](c2nc(-c3ccncc3)no2)C1 72389922 PHZAFEFRMRWEBN-QGZVFWFLSA-N 320.396 3.430 0 40 DGAB CCOC(=O)[C@@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 79354958 BOXXZDOGUTUJFP-LLVKDONJSA-N 318.398 3.364 0 40 DGAB Cc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 72389887 DDCDEIOONSWKIP-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB Cn1ccnc1-c1nc(N2CCCC2)ncc1-c1cccs1 72342329 PNHMCPDIDXNYFG-UHFFFAOYSA-N 311.414 3.206 0 40 DGAB CN(CCCS(C)(=O)=O)C1c2ccccc2-c2ccccc21 81596658 JQENECHOKBMBHH-UHFFFAOYSA-N 315.438 3.123 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(N3CCCC3=O)c2)cc1C 42924341 MUZUBHZTGXNSGB-UHFFFAOYSA-N 322.408 3.360 0 40 DGAB CCc1noc(-c2cc(Cl)ccc2NC(=O)[C@H]2CCCO2)n1 84577374 LHSHBQNOQIOGMS-GFCCVEGCSA-N 321.764 3.070 0 40 DGAB C[C@H](N[C@H](C)c1ccc(-n2ccnn2)cc1)c1cccc(O)c1 194938292 UQQAUDWSBUVHQU-KGLIPLIRSA-N 308.385 3.385 0 40 DGAB COc1coc(C(=O)Nc2ccc(Cl)cc2Cl)cc1=O 40287792 DMTKZQCEBKEHCE-UHFFFAOYSA-N 314.124 3.208 0 40 DGAB S=C(Nc1ccc(N2Cc3ccccc3C2)nc1)NC1CC1 224031897 NBMBPRFDQONOSM-UHFFFAOYSA-N 310.426 3.051 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)CCO1 97235846 CUSBMZJTBYLZKV-JFIYKMOQSA-N 322.493 3.105 0 40 DGAB CC[C@@H](CNC(=O)Cc1cc(C)no1)Oc1cccc(Cl)c1 576948419 XNDBMZFHIICZHN-ZDUSSCGKSA-N 322.792 3.153 0 40 DGAB Cc1ccc2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1C 21555035 FCSCBOIQNBCQPX-CHWSQXEVSA-N 301.386 3.019 0 40 DGAB biogenic CCOC1CC2(CCN(C(=O)Cc3cccc(F)c3)CC2)C1 96159301 RRALXKRBJAJCIE-UHFFFAOYSA-N 305.393 3.176 0 40 DGAB CCn1c(C)cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c1C 97212279 HIFZQVFEBVGDQN-INIZCTEOSA-N 314.385 3.071 0 40 DGAB Cc1ccccc1NC(=O)N1CCC[C@@]2(CCCC(=O)N2C)C1 96229737 WOHRBIIDOGFVII-SFHVURJKSA-N 315.417 3.004 0 40 DGAB CC(C)N1CC2(CCN([C@H]3CCOC3)CC2)c2ccccc21 96078778 DWCGIENRGUGAFG-INIZCTEOSA-N 300.446 3.038 0 40 DGAB O=C(CC1(n2cccc2)CCCCC1)NCCc1nccs1 95480861 QEBWUZOZDRAXPV-UHFFFAOYSA-N 317.458 3.353 0 40 DGAB Cc1ncoc1-c1noc([C@@H]2CCCN(Cc3ccccc3)C2)n1 585086286 IKQOSVFZBXSTHD-OAHLLOKOSA-N 324.384 3.413 0 40 DGAB C[C@@H]1C[C@H](N(C)Cc2cnsn2)CCN1Cc1ccccc1 585090671 NKAGPKKBVMPWLN-RHSMWYFYSA-N 316.474 3.023 0 40 DGAB Cc1cccc(C)c1N(C[C@@H](C)N(C)C)C(=O)COC(C)C 585125265 LWDIHOPFFRPNDI-MRXNPFEDSA-N 306.450 3.012 0 40 DGAB COc1ccc(C(=O)N2CCC(Cc3ccncc3)CC2)cc1 257322820 WHNQNUPUNGIEGT-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB Cc1ncc(CN2CC[C@]23CCCN(C(=O)C(C)(C)C)C3)s1 585101772 FMFKMGHZCDSIJY-KRWDZBQOSA-N 321.490 3.065 0 40 DGAB O=C(c1ccsc1)N1CCCN(C[C@@H]2CC=CCC2)CC1 92149077 OPFVAKMZALLSJB-OAHLLOKOSA-N 304.459 3.252 0 40 DGAB Brc1ccccc1C1(CNc2ncccn2)CC1 95961064 DPGOZJPITIJRCA-UHFFFAOYSA-N 304.191 3.383 0 40 DGAB Cc1cc(NC(=O)c2ncco2)cnc1N1CCCC[C@H]1C 585129424 JAVJTNGPNVENIE-GFCCVEGCSA-N 300.362 3.009 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1cccc(Br)c1Cl 1083806352 LVWQYHDNLUKZKA-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB COc1cccc(N2C[C@@H](c3nc4ccc(C)cc4[nH]3)CC2=O)c1 5818442 UZCWFEGYCDVIRL-ZDUSSCGKSA-N 321.380 3.400 0 40 DGAB COc1ccccc1C(=O)NCc1cc(-c2cccs2)on1 12725330 WZQNAGUJSFPMFS-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H](CO)C[C@]34C)[C@@H]1CC[C@@H]2O 17313889 OKOKLFXLKDXQOK-RWVVGZEQSA-N 320.473 3.178 0 40 DGAB Cc1ccc(CN2C(=O)c3cc(C)nc(Cl)c3C2=O)cc1 2555931 HAYOYFVZSLFLNJ-UHFFFAOYSA-N 300.745 3.148 0 40 DGAB CCN(C(=O)c1ccc(CNC(C)=O)cc1)C1CCCCC1 25251008 ACEVEORTJSFVKA-UHFFFAOYSA-N 302.418 3.118 0 40 DGAB COC(=O)c1cc(-c2ccc(F)c(Br)c2)on1 142643958 ILJMHSOTTNWWLU-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB Cc1cc(-c2cc([C@@H]3CCCN3C(=O)C(C)(C)C)ccn2)n[nH]1 2037670897 WQMSVWOBNYROSM-INIZCTEOSA-N 312.417 3.490 0 40 DGAB Cc1c(C(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1C 4062523 ZAHYEHRQUGMZGM-WFASDCNBSA-N 312.413 3.364 0 40 DGAB Oc1nc(Nc2cccc(F)c2)nnc1Cc1ccc(F)cc1 4317186 BEMFHBBHBGNTKY-UHFFFAOYSA-N 314.295 3.190 0 40 DGAB Cc1ccc2oc(C(=O)Nc3ccc4c(c3)OCCO4)cc2n1 8798706 HEKCODUFRFFPHF-UHFFFAOYSA-N 310.309 3.160 0 40 DGAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCC(C)C 11027439 DFAPANGMJUILNC-UHFFFAOYSA-N 319.380 3.186 0 40 DGAB CCOC(=O)c1ccc(NC(=S)N2C[C@@H]3CC[C@@H]2C3)cc1 100237924 YQTGXYFCOLKVSH-BXUZGUMPSA-N 304.415 3.044 0 40 DGAB Cn1cc([C@H]2CCCCN2C(=O)/C=C/c2cccs2)cn1 585148698 BPNDELLARYJVCD-MVGZEHJDSA-N 301.415 3.249 0 40 DGAB Cc1nsc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298183985 XFLZNNVDONILAQ-NSHDSACASA-N 324.837 3.190 0 40 DGAB COc1cc(C=O)ccc1OCCN1CCCc2ccccc21 20131567 MTXFCKCKYQQJHH-UHFFFAOYSA-N 311.381 3.339 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccc(F)cc1 40543719 VOFWEBWBLRVGOY-LLVKDONJSA-N 311.316 3.367 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(C3CC3)n2C)cc1C 410340 FXOIDMCSQSDKKB-UHFFFAOYSA-N 301.415 3.284 0 40 DGAB O=C(N[C@@H]1CCN(Cc2ccccc2)C1)c1c[nH]c2ccccc12 32819908 SXKVENRONXMXSF-MRXNPFEDSA-N 319.408 3.172 0 40 DGAB O=c1onc(-c2ccc(Cl)cc2)n1Cc1ccccc1F 1332594 ZQHJEVYBEIQDAK-UHFFFAOYSA-N 304.708 3.344 0 40 DGAB CCOc1ccc(NC(=O)NCc2csc(NC)n2)cc1C 79062758 UVIPPWVRRJLWKG-UHFFFAOYSA-N 320.418 3.214 0 40 DGAB Cc1ccc(CONS(=O)(=O)c2cc(C)ccc2C)cc1 2788729 TXLPYWCWBRJUDI-UHFFFAOYSA-N 305.399 3.022 0 40 DGAB CCn1nnnc1NCc1ccc(-c2ccc(F)c(Cl)c2)o1 7602314 ZAXHFKMIQOEMEK-UHFFFAOYSA-N 321.743 3.358 0 40 DGAB C[C@H](NC(=O)c1cn2cccnc2n1)C12CC3CC(CC(C3)C1)C2 60869138 ANJMJMZYBMFIOO-UHSVVUDUSA-N 324.428 3.064 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1ccc(F)cc1 46884690 ASSZQZPNMFQKMY-JTQLQIEISA-N 305.353 3.333 0 40 DGAB CCOc1ccccc1NC(=O)c1ccc2c(c1)OCCCO2 9749994 PPBHAARSUVJVQD-UHFFFAOYSA-N 313.353 3.499 0 40 DGAB CC(C)NC(=O)NCc1cccnc1Oc1cccc(F)c1 47575095 ZKNOLIJAQOIUFU-UHFFFAOYSA-N 303.337 3.221 0 40 DGAB COc1ccc(F)cc1C(=O)Nc1cccc(-c2nnco2)c1 24739130 NEUMSHHEYBYFIM-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB CSc1nc2nc(C)c(Cc3cccc(F)c3)c(C)n2n1 1394734 XEEHUINLYRROBE-UHFFFAOYSA-N 302.378 3.193 0 40 DGAB Cc1nc2cc(-c3ccc(=O)[nH]n3)ccc2n1Cc1ccccc1 20096249 YMUHUQXRLWXMOE-UHFFFAOYSA-N 316.364 3.143 0 40 DGAB O=C(COC(=O)c1ccccc1)c1ccc(OC(F)F)cc1 3244051 ZIHRQPKILBNLCB-UHFFFAOYSA-N 306.264 3.328 0 40 DGAB COc1ccc(S[C@H](C)C(=O)Nc2ncccc2OC)cc1 58195117 SKHGPKGPXMZZIZ-LLVKDONJSA-N 318.398 3.218 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@@H](C)c1cc2ccccc2o1 10204312 UCMJDSWVTDTNDY-LBPRGKRZSA-N 318.373 3.135 0 40 DGAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCc2csc(C)n2)c1 27991667 AKLKGFPIJKEYNZ-ZDUSSCGKSA-N 318.442 3.195 0 40 DGAB O=C(NC1CC1)c1ccc(CNc2nc3ccccc3o2)cc1 58406466 FWILHWPCEPUXAT-UHFFFAOYSA-N 307.353 3.332 0 40 DGAB CCc1noc([C@@H](C)N(C)CCOc2ccc(Cl)cc2)n1 58605585 HTJDKXNLUXCNAX-LLVKDONJSA-N 309.797 3.357 0 40 DGAB CCOc1cccc2cc([C@H](C)NC(=O)c3cnn(C)c3)oc12 48375408 WYCOUOZOURBRIZ-NSHDSACASA-N 313.357 3.056 0 40 DGAB C[C@H](NC(=O)Cc1ccccc1F)c1ccc(-n2ccnc2)cc1 18048239 FGDYSZDXXBJORZ-AWEZNQCLSA-N 323.371 3.431 0 40 DGAB Cc1ccccc1C(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)O2 46088475 MWZCUSFFMAKXPU-UHFFFAOYSA-N 310.353 3.357 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2nccn2Cc2ccccc2)c1 69967184 RSWBGCJWIALVPY-IRXDYDNUSA-N 323.444 3.176 0 40 DGAB O=C1CCCN1c1cccc(-c2csc(-c3cnccn3)n2)c1 71971860 CRCNUBKPOWHRGZ-UHFFFAOYSA-N 322.393 3.394 0 40 DGAB O=C(CCC1CCCC1)N1CCN(Cc2ccccc2F)CC1 19889383 DMSFVSOKMGQAIJ-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB COc1cccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)c1 6334314 YWNQGQNUWLMVFA-INIZCTEOSA-N 324.380 3.056 0 40 DGAB CCCN1CCC(NC(=O)c2cc(SC)ccc2C)CC1 65514781 RCLOFHLGMNHQKQ-UHFFFAOYSA-N 306.475 3.321 0 40 DGAB CC[C@@](C)(O)CNC(=O)Nc1ccc(C)cc1Br 65590927 FTCXLYBXIXZCHZ-CYBMUJFWSA-N 315.211 3.040 0 40 DGAB CCc1sc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1C 14164649 YLJQPYOBNMYRLN-UHFFFAOYSA-N 301.371 3.041 0 40 DGAB CC(C)N1CCc2c(sc3c2C(O)=N[C@@H](c2ccc[nH]2)N3)C1 4555304 QTLYIIYFAAOBHL-CQSZACIVSA-N 316.430 3.272 0 40 DGAB c1ccn2c(SCc3ccc(-n4cccn4)cc3)nnc2c1 8944982 QRUBTIUEXFEICO-UHFFFAOYSA-N 307.382 3.207 0 40 DGAB c1ccc2c(CCNCc3ccc4c(c3)OCCO4)c[nH]c2c1 4999751 VNLUYPBHZPXOJG-UHFFFAOYSA-N 308.381 3.271 0 40 DGAB O=c1c2c(-c3ccccc3)csc2ncn1C[C@@H]1CCCO1 7080530 APRVHTVUYJROAN-ZDUSSCGKSA-N 312.394 3.304 0 40 DGAB CNC(=O)c1ccccc1NC(=O)c1cnc(C(C)(C)C)s1 67477939 KPKNPEHYEQASOG-UHFFFAOYSA-N 317.414 3.053 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)Nc2nc3ccccc3[nH]2)cc1 9219535 DRXKZDSNLYSEBQ-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB COc1ccc(N(C)C(=S)Nc2ccc3ncncc3c2)cc1 408976405 RABPKVLEYIQIJU-UHFFFAOYSA-N 324.409 3.472 0 40 DGAB Cc1ccc(NC(=O)CCCc2nc3ccccc3c(=O)[nH]2)cc1 7651955 UZYYDJYTIPNNAO-UHFFFAOYSA-N 321.380 3.193 0 40 DGAB Cc1c(C(=O)CSc2nnnn2C2CC2)oc2ccccc12 9594462 CUSSJENAZVXHCO-UHFFFAOYSA-N 314.370 3.038 0 40 DGAB O=c1oc(-c2cccs2)nn1CCOc1ccccc1Cl 9500248 BJLAUNFRYQGMRS-UHFFFAOYSA-N 322.773 3.297 0 40 DGAB COC(C)(C)C[C@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 81458236 SOKNSHWDXBCUNG-VIFPVBQESA-N 308.403 3.424 0 40 DGAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)ccc1F 8107827 HIEMFVRQRWOCLA-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1nccs1 9364631 HDHFAHAFSQVJNI-UHFFFAOYSA-N 314.370 3.155 0 40 DGAB CC(=O)c1c(O)cc(C)n(-c2ccc(C(F)(F)F)cc2)c1=O 16769760 PEXXSSYDEWYRQW-UHFFFAOYSA-N 311.259 3.073 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2coc(-c3ccccc3)n2)cn1 70038752 MQQPQTKHCNIUJA-KRWDZBQOSA-N 308.385 3.412 0 40 DGAB c1cncc(-c2ccc(CN3CC[C@H](Oc4ccncc4)C3)o2)c1 93865781 OMTIXHVIJSZSAD-SFHVURJKSA-N 321.380 3.390 0 40 DGAB CNCCCNC(=O)OCC1c2ccccc2-c2ccccc21 114410878 ZXCSPVSCHJPZBF-UHFFFAOYSA-N 310.397 3.135 0 40 DGAB Cc1cccc2cc([C@@H]3NC(=O)c4cccnc4N3)c(Cl)nc12 72074739 QFPHGDBRPXCSDA-INIZCTEOSA-N 324.771 3.446 0 40 DGAB COc1ccc(C[S@@](=O)C[C@@H]2CCCCO2)c(Cl)c1 83954719 XXPBTWHKJRNMMW-DJJJIMSYSA-N 302.823 3.166 0 40 DGAB C[C@H](Cc1ccc(O)cc1)NC1CCN(c2nccs2)CC1 97081023 BXYBQIQZEMVDTA-CYBMUJFWSA-N 317.458 3.038 0 40 DGAB O=C(OC1CCCC1)[C@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 84459535 BPECZOLWZNGIIA-HNNXBMFYSA-N 313.397 3.014 0 40 DGAB O=C(NNc1ccccc1C(F)(F)F)[C@H]1C[C@@H]1c1cccnc1 84501753 DGZZUNPOYQTHEH-NEPJUHHUSA-N 321.302 3.347 0 40 DGAB COc1cc(F)c(C(=O)N(C[C@@H]2C[C@H]2C)C(C)C)cc1OC 84688854 ZJDGNXVMVORLLZ-NEPJUHHUSA-N 309.381 3.350 0 40 DGAB CC(C)c1nc(CN2CC[C@@H](Oc3ccncc3)C2)cs1 95428244 GAWILCXPPMGOOF-OAHLLOKOSA-N 303.431 3.315 0 40 DGAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccco2)CC1 95406237 YDXUPPYABOWVCQ-CQSZACIVSA-N 317.433 3.444 0 40 DGAB Cc1cccn2cc(C[S@@](=O)Cc3ccc(F)c(F)c3)nc12 95409384 ZJXYBKCDLSABDE-JOCHJYFZSA-N 320.364 3.370 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)[C@H]1CCn2ccnc2C1 95431901 HBYSCSFEWILMOB-ZDUSSCGKSA-N 313.401 3.222 0 40 DGAB Cc1nc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)oc1C 73813765 FSQZGTLUEYMHQX-INIZCTEOSA-N 313.401 3.066 0 40 DGAB CN1C(=O)C[C@H](C(=O)N2CC[C@H]2c2ccccc2)c2ccccc21 95954215 XYUJMYBUPQCFDU-IRXDYDNUSA-N 320.392 3.110 0 40 DGAB O=S(=O)(Cc1ccc(F)c(Cl)c1)NCc1ccsc1 89768338 XWYLRUGFQYZBQU-UHFFFAOYSA-N 319.810 3.160 0 40 DGAB O=C(c1cccnc1Oc1cccnc1)N1C[C@H]2CCC[C@H]2C1 89794082 VEONKVKFMGKGHS-OKILXGFUSA-N 309.369 3.141 0 40 DGAB C[C@H](NC(=O)C[C@](C)(O)C1CC1)c1nc(C(C)(C)C)cs1 89913546 LUIVWTDUUKUHPI-QFYYESIMSA-N 310.463 3.169 0 40 DGAB COC(=O)/C=C/c1ccc(OC(=O)c2ccoc2C)c(OC)c1 42639413 XUNPSJXVSRVZPL-FNORWQNLSA-N 316.309 3.002 0 40 DGAB Cc1ccccc1OCn1ccc(C(=O)N2CCC[C@@H](C)C2)n1 27972248 KQUSDVGERDIEJT-CQSZACIVSA-N 313.401 3.100 0 40 DGAB COC(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1C 32764809 KDAIKWTXAHFDRQ-CMDGGOBGSA-N 301.367 3.495 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)NCCC2=CCCC2)o1 126049153 GLCAJMXDHSIQNQ-INIZCTEOSA-N 318.417 3.425 0 40 DGAB CS[C@H](C)C(=O)N[C@@H](C)c1ccccc1Br 31697414 VVNVXBJNMCMPKO-DTWKUNHWSA-N 302.237 3.378 0 40 DGAB Cc1ccccc1[C@@H]1CN(CCC(C)(C)CC(=O)O)CCO1 566359607 KIPVFPNAQFDQEK-INIZCTEOSA-N 305.418 3.259 0 40 DGAB CC(=O)N1CCC[C@H](c2nccnc2Oc2ccc(F)cc2)C1 72361690 ZUHDIPBWLPYXNX-ZDUSSCGKSA-N 315.348 3.134 0 40 DGAB C[C@@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)[C@@H](C)C1 72203919 WGIOAFJQUPMPKY-KBPBESRZSA-N 305.422 3.084 0 40 DGAB Cc1coc(-c2nn3c(-c4sccc4C)nnc3s2)n1 66091801 XTGANYADNJYMJX-UHFFFAOYSA-N 303.372 3.186 0 40 DGAB CN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCCN2C=O)cn1 72214471 JDQREDXUUYLRRR-CQSZACIVSA-N 319.405 3.136 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(NC(C)=O)c1 79038096 GJKSYCRYIDKQGD-MRXNPFEDSA-N 304.390 3.321 0 40 DGAB CC(=O)N[C@H](C)C(=O)N1CCC[C@@H]1c1cccc2ccccc12 79044375 PVSBTHGZEFTDGA-FZKQIMNGSA-N 310.397 3.028 0 40 DGAB Cc1c(Cl)cccc1NS(=O)(=O)c1cnn(C(C)C)c1 72239229 QHNRYFNNBGQECB-UHFFFAOYSA-N 313.810 3.227 0 40 DGAB COc1ccc(-c2noc([C@@H]3C[C@H]3c3cccnc3)n2)cc1OC 78773622 MTNKWECNGFMYTQ-UONOGXRCSA-N 323.352 3.420 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc2nc(C3CC3)oc2c1 79727213 DBEHQGADHFVEET-UHFFFAOYSA-N 310.357 3.308 0 40 DGAB Cc1ccc(CNC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)cc1 40119882 PGFFNDMASPKTSI-CALCHBBNSA-N 317.477 3.162 0 40 DGAB CCc1nnc2sc(-c3cc(Cl)c(N)c(Cl)c3)nn12 45920136 AHCLVGXFQJVPRM-UHFFFAOYSA-N 314.201 3.304 0 40 DGAB COc1ccc(N2NC3(CCCCCCC3)NC2=S)cc1 225348085 QJMTZFGWPCLJMK-UHFFFAOYSA-N 305.447 3.335 0 40 DGAB CCOc1ccccc1NC(=O)c1ccc(OC)c(COC)c1 224398509 BITYFOQXTUUJKO-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB Cc1noc(C)c1[C@@H](C)CNc1nnc(-c2ccon2)s1 225822734 PXXFIZKPGWYDLF-ZETCQYMHSA-N 305.363 3.014 0 40 DGAB CCCc1noc(C2CCN(C(=O)Cc3cccs3)CC2)n1 40714695 NWASDJHUEBGFEX-UHFFFAOYSA-N 319.430 3.032 0 40 DGAB c1ccc(CO[C@H]2COCCN(c3nc4ccccc4o3)C2)cc1 85436009 ODPRCGREWYHCES-MRXNPFEDSA-N 324.380 3.250 0 40 DGAB biogenic,in-vitro Oc1c(Br)cc(-c2ccccc2)cc1-n1cnnc1 226281299 KGSWOXRTEYTXKH-UHFFFAOYSA-N 316.158 3.402 0 40 DGAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c2ncccc12 225884522 MQDCRZNLNMKQEH-QGZVFWFLSA-N 302.374 3.387 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)c2ccc(Cl)cc2)c(C)o1 85561300 SNVVIHUXWUOLID-HNNXBMFYSA-N 307.777 3.403 0 40 DGAB CCN(C(=O)COc1ccccc1-c1nccs1)C1CC1 97103787 HJOKMCMGJAGDTF-UHFFFAOYSA-N 302.399 3.200 0 40 DGAB Cc1ccc(-c2c(C)sc3nc(CCC(=O)O)nn23)cc1C 95095802 BPAHJIUFEPXKPC-UHFFFAOYSA-N 315.398 3.400 0 40 DGAB CC(=O)c1ccc(OCCN2CCN(c3ccccc3)CC2)cc1 95699115 RMIFJRFHJDCPSL-UHFFFAOYSA-N 324.424 3.090 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)s1 257311871 ULJBLSXPWHERNE-AWEZNQCLSA-N 317.458 3.112 0 40 DGAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2cccc(O)c2)S1 260784190 VITZMJKQILECTF-XFBWCDHKSA-N 311.410 3.377 0 40 DGAB CC(F)(F)C(C)(C)NS(=O)(=O)c1cccc(Cl)c1F 585091276 OHDMDACZLYHNLG-UHFFFAOYSA-N 315.744 3.191 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccncc2F)c(Cl)cc1F 95994064 MQOJEPNRKNZREP-UHFFFAOYSA-N 318.732 3.122 0 40 DGAB Cc1ccc(OCC(=O)N2CCC[C@@H]2c2cc(C)on2)c(C)c1 29238302 BQVPUXRFVCZAPR-MRXNPFEDSA-N 314.385 3.342 0 40 DGAB O=C(C[S@](=O)c1ccc(F)cc1)Nc1ccccc1Cl 5278075 WNONXNGNEVQUBX-HXUWFJFHSA-N 311.765 3.225 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCc2ccccc2F)c1 19162448 ZKJSBGUJNXMIGO-UHFFFAOYSA-N 300.333 3.355 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 169748328 ABGGQKOQAMWLHU-TXEJJXNPSA-N 312.410 3.005 0 40 DGAB CCOC(=O)[C@H](C)Oc1ccc(C(=O)NC2CCCCC2)cc1 145846 CAHKVOPPLSTLNH-ZDUSSCGKSA-N 319.401 3.080 0 40 DGAB CC(C)(C)C(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33053646 UNQQMHRQKIECJI-UHFFFAOYSA-N 309.431 3.388 0 40 DGAB O[C@@H]1[C@@H](N2CCc3ccccc3C2)CCC[C@H]1Oc1ccccc1 2037963983 RDLGOSPZJGDJJP-PWRODBHTSA-N 323.436 3.406 0 40 DGAB Cc1ccccc1N1C[C@@](O)(c2ccccc2)[N+]2=C1CCCC2 425746 ZYPWJDVVFWQJBI-HXUWFJFHSA-N 307.417 3.255 0 40 DGAB CC(=O)c1cccc(NC(=O)C(=O)c2c[nH]c3ccccc23)c1 4163225 WWAGJUXHEHKUAJ-UHFFFAOYSA-N 306.321 3.192 0 40 DGAB O=C(CCSc1ccccc1)Nc1nnc(-c2ccco2)o1 4264640 DOOFFWHYKYMUMH-UHFFFAOYSA-N 315.354 3.451 0 40 DGAB OC[C@]12CCC[C@@H]1CN(Cc1ccccc1Br)C2 1888866274 ORKISOQVZKUUHV-UKRRQHHQSA-N 310.235 3.044 0 40 DGAB O=C(NCc1cccs1)NCc1cccnc1-c1cccnc1 225643614 ADXAIGPGBPICTL-UHFFFAOYSA-N 324.409 3.205 0 40 DGAB O=C(NC[C@H](O)c1ccoc1)C1(c2cccs2)CCCC1 75171728 KVVAVXVHSRLIBN-ZDUSSCGKSA-N 305.399 3.003 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)c2cc(C)oc2C)cc1 96103031 MBSSWKCGXAZMNZ-OAHLLOKOSA-N 305.399 3.082 0 40 DGAB Cc1noc2ncc(C(=O)N3CCc4sccc4[C@H]3C)cc12 30936844 DRSGDHSAZZVBBN-SNVBAGLBSA-N 313.382 3.352 0 40 DGAB C[C@@H](Nc1ncnc2c1cnn2C)c1ccc(OC(F)F)cc1 40497157 FPSZUBFJHGHTMF-SECBINFHSA-N 319.315 3.138 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cnn1C 40485250 HAKAYHRHDGXZKD-CYBMUJFWSA-N 321.833 3.349 0 40 DGAB C[C@@H](NC(=O)c1cc(N)nc(Cl)c1)c1cccc(Cl)c1 50709142 ZKNXOZCALUFYQC-MRVPVSSYSA-N 310.184 3.462 0 40 DGAB COC(=O)c1ccc(Oc2c(F)c(F)nc(F)c2F)cc1 201055 OAHLOIRCFYMVQA-UHFFFAOYSA-N 301.195 3.217 0 40 DGAB CCN(CC)[C@H](C)C(=O)Nc1c2c(cc3c1CCC3)CCC2 347602 AHWONPJLHQVHGO-CYBMUJFWSA-N 300.446 3.333 0 40 DGAB COc1ccccc1CN(C)C(=S)N[C@@H]1C[C@H]2CC[C@H]1C2 102323006 SBGFADXUYMWUHG-KCQAQPDRSA-N 304.459 3.190 0 40 DGAB COc1ccc(-c2cn3nc(N4CCCCC4)sc3n2)cc1 352470 ZRELTYZTDZZOPV-UHFFFAOYSA-N 314.414 3.457 0 40 DGAB C[C@H](Sc1nncn1C)C(=O)c1ccc(C(C)(C)C)cc1 2625138 QKLKRSTXMJDPLC-NSHDSACASA-N 303.431 3.476 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cn1 32817774 RKSASOZOTMKCRN-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB CN(Cc1cccc(Cl)c1)Cc1nc(-c2ccccn2)no1 76176506 WMLPGKQLALRNDT-UHFFFAOYSA-N 314.776 3.417 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@@H]2C)s1 32876624 DBXSFRACGAKXHF-JTQLQIEISA-N 300.383 3.298 0 40 DGAB Cc1nnc(-c2cccc(NC(=O)[C@H]3COc4ccccc43)c2)o1 78877572 ZPBHOWOXZZFMFI-HNNXBMFYSA-N 321.336 3.160 0 40 DGAB COc1ccc(C)nc1NC(=O)c1ccc(Br)o1 78972544 ATFIFNXWHBUAFQ-UHFFFAOYSA-N 311.135 3.006 0 40 DGAB Cc1cccc(NC(=O)N2CCN(c3ncc(C)s3)CC2)c1 79064513 KVGGQIBMJUVNBW-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB Cc1cc(F)cc(C(=O)NCCc2cnn(-c3ccccc3)c2)c1 79397075 LPBUJVHPZMXPAH-UHFFFAOYSA-N 323.371 3.292 0 40 DGAB Cc1nc2cc(N[C@H](C)C(=O)N3CCC(C)CC3)ccc2o1 52774511 OYMZKIXSAAPZDG-GFCCVEGCSA-N 301.390 3.195 0 40 DGAB COc1cccc(NC(=S)NCc2ccccc2OC)c1 6954405 MRWRMTCDJSSJKV-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)CCc2ccsc2)cc1 7214445 BTLATESHMSYORC-UHFFFAOYSA-N 302.399 3.021 0 40 DGAB CCOc1cc(C(=O)Nc2ncccc2O)ccc1OC(F)F 22262672 AHWHJRAZZBDXMR-UHFFFAOYSA-N 324.283 3.040 0 40 DGAB CCCCN[C@H](CN1CCCCC1)Oc1ccccc1OC 33619184 XGVSPFYWCCLYBO-SFHVURJKSA-N 306.450 3.276 0 40 DGAB COc1ccc(NC(=O)c2cccc(OC(C)C)c2)cc1N 57340428 HSAINDTUVJSCCS-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB Cn1ccnc1[C@H](NC(=O)[C@H]1CC=CCC1)c1cccc(F)c1 24015999 XKVHZIGYZVBPKY-XJKSGUPXSA-N 313.376 3.121 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C)cc1 3100362 REQJLKKHEGUCQV-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1cccc(N2CCN(Cc3nc4ccccc4[nH]3)CC2)c1 24602019 XZBQVLBXSCSJEN-UHFFFAOYSA-N 306.413 3.194 0 40 DGAB O=C(CCc1cccc(F)c1)Nc1ccc(N2CCCC2)cn1 25665146 NNJNTFQOSIXYQR-UHFFFAOYSA-N 313.376 3.392 0 40 DGAB O=C(O)[C@@H]1CCCN1Cc1ncc(-c2ccc(Cl)cc2)o1 35303039 YXGAQWQUSHQSAN-LBPRGKRZSA-N 306.749 3.044 0 40 DGAB CCSc1nnc(N2CCCCC2)n1-c1ccccc1OC 57862237 AAACPKMHGDPRSV-UHFFFAOYSA-N 318.446 3.378 0 40 DGAB COc1ccc(NC(=O)c2csc(C)n2)cc1OC(F)F 58018864 FBIFRPWXFBDHOW-UHFFFAOYSA-N 314.313 3.314 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccncc1 12606981 XJLSYFFXTNINNM-LBPRGKRZSA-N 323.400 3.207 0 40 DGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)N1CCCC1 12602212 HGCZCLKLHIXGSY-UHFFFAOYSA-N 304.371 3.138 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1 3343776 GWBWOTJGMAMLBP-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB COC(=O)c1ccc(CSc2nnc(NC(C)C)s2)o1 3383416 MKFRDNLLIFQJEK-UHFFFAOYSA-N 313.404 3.030 0 40 DGAB NC(=O)c1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)cc1 13137650 HWLSGMKAAYKZBL-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB Cc1noc(C2CCN(Cc3coc(-c4ccccc4)n3)CC2)n1 64939989 LXEHYXIIZUYZBO-UHFFFAOYSA-N 324.384 3.413 0 40 DGAB Cc1ccc2cc3c(NC(=O)c4ccncc4)nn(C)c3nc2c1 9328620 NHPOBPOHQXNBDT-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB CC(=O)Oc1ccc(/C=C/c2n[nH]c(-c3ccccc3O)n2)cc1 6158941 IDANBRHRDOJICR-DHZHZOJOSA-N 321.336 3.273 0 40 DGAB CCc1ccc([C@H](C)NC(=O)c2ccc(CNC(C)=O)cc2)cc1 39977643 BPUNCVVPZPEYLP-AWEZNQCLSA-N 324.424 3.376 0 40 DGAB COc1cccc(NC(=O)c2cc3c(cc2C)OCCCO3)c1 65315009 LEEANUWTOIRLNW-UHFFFAOYSA-N 313.353 3.417 0 40 DGAB CCOc1ccccc1CN(C)c1ncc(Br)cn1 67368810 PHSSPBJMHCHUAW-UHFFFAOYSA-N 322.206 3.274 0 40 DGAB FC(F)(F)c1ccc2c(NCC3CCNCC3)nccc2n1 15442500 TVQSVTIEOOUQKL-UHFFFAOYSA-N 310.323 3.060 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1 7216958 FWDHZUGAXYCBFC-UHFFFAOYSA-N 317.410 3.018 0 40 DGAB Cc1ncc([C@H](C)NC[C@@]2(O)CCCc3ccccc32)s1 90409034 NMUZASMSHDVDLU-SJCJKPOMSA-N 302.443 3.326 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cncn1-c1ccc(F)cc1 8277823 HATMOJWQVFBIIW-UHFFFAOYSA-N 313.307 3.081 0 40 DGAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1cccnc1 8289793 YAUVBBUIQYIZEO-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc4cc[nH]c4c3)C2)n1 69632758 ASYDMXJPFPRSEV-QGZVFWFLSA-N 322.412 3.459 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1cc2ccccc2o1 9318999 YOGWJGYKPYUECF-SNVBAGLBSA-N 306.325 3.195 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)[C@@H]1C[C@H]1c1ccccc1 28226118 VTDDSQJCGCBMMU-UONOGXRCSA-N 322.393 3.342 0 40 DGAB Cc1ccc(C(=O)NC[C@H](O)c2ccc3ccccc3c2)c(C)n1 71890809 SDERDMYSIBCKOA-IBGZPJMESA-N 320.392 3.315 0 40 DGAB Cc1noc2ncc(-c3nnc(Cc4ccc(F)cc4)o3)cc12 71889541 ALRPKBPFBIAOAW-UHFFFAOYSA-N 310.288 3.311 0 40 DGAB COC(=O)C1(C(=O)N[C@@H](C)c2oc3ccc(F)cc3c2C)CC1 97146433 XYBCTWCWCGZQDG-JTQLQIEISA-N 319.332 3.011 0 40 DGAB C[C@](CO)(NCc1nc(-c2ccsc2)no1)C1CCCCC1 71921060 BJNIXSLMYLCNHP-MRXNPFEDSA-N 321.446 3.219 0 40 DGAB CC(C)c1cnc(-c2ccc(NC(=O)Cn3cccn3)cc2)o1 71909714 ZFFCNOSJUBWPMX-UHFFFAOYSA-N 310.357 3.300 0 40 DGAB C[C@H](NC(=O)c1ccc(O)cc1O)c1ncc(-c2ccccc2)o1 97059371 ONPTXFVVINSNRK-NSHDSACASA-N 324.336 3.244 0 40 DGAB CC(C)COc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 408708466 IFNVCCVPHYWLHC-UHFFFAOYSA-N 318.417 3.109 0 40 DGAB CO[C@@H](C)c1nc(COc2ccccc2NC(C)=O)cs1 84667570 KPDGBEPCPUDMSO-JTQLQIEISA-N 306.387 3.388 0 40 DGAB CC(C)c1ccc(NC(=O)C[C@H]2CNCCO2)c(C(C)C)c1 95403635 ALPYNXZYCIZHFJ-HNNXBMFYSA-N 304.434 3.250 0 40 DGAB O=C(c1ccc[nH]1)N1CCC(Oc2ccccc2Cl)CC1 95436380 ADJDXVWDQIXUNJ-UHFFFAOYSA-N 304.777 3.352 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2ccncc2)cc1 98014094 VQRYYGNQHWJGNQ-ROUUACIJSA-N 310.397 3.288 0 40 DGAB CCCN(C(=O)NCc1cccc(-c2cnn(C)c2)c1)C1CC1 95977775 YFZWIOHHUBRCLO-UHFFFAOYSA-N 312.417 3.171 0 40 DGAB COC[C@H](C)C(=O)N(c1ccccc1)C1Cc2ccccc2C1 95962909 HOTWGYNAHLQRKX-HNNXBMFYSA-N 309.409 3.470 0 40 DGAB CCOC(=O)N[C@@H]1CCCN(Cc2cnc(C3CCC3)s2)C1 95982590 FZFMIRGYTALLHE-CYBMUJFWSA-N 323.462 3.121 0 40 DGAB CCn1ccnc1S[C@H]1CCCN(Cc2ccccc2)C1=O 89634932 IXONXWHSVXCTNI-HNNXBMFYSA-N 315.442 3.186 0 40 DGAB COC[C@@H](NC(=O)N[C@@H](C)c1cccc(O)c1)c1ccc(C)o1 175503792 IEJFXRNIXPEZAZ-SWLSCSKDSA-N 318.373 3.042 0 40 DGAB O=C(Cc1ccc(OC(F)F)cc1)NOCc1ccccc1 25038538 PVMJLJBDJAKXEQ-UHFFFAOYSA-N 307.296 3.079 0 40 DGAB CCN(CC)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 61535027 VVRNKRJYKOEIHB-UHFFFAOYSA-N 313.739 3.393 0 40 DGAB CCOc1ncccc1C(=O)N1CCc2[nH]c3ccccc3c2C1 9956559 UGGJCXAYUNQAKU-UHFFFAOYSA-N 321.380 3.160 0 40 DGAB COC(=O)C1C(c2ccccc2)C(C(=O)OC)C1c1ccccc1 298719 MJAGZKYWKWEKQU-UHFFFAOYSA-N 324.376 3.146 0 40 DGAB biogenic OCCCN(Cc1ccc(Cl)c(Cl)c1)Cc1ccon1 77285206 MROKHLUBZXQQDO-UHFFFAOYSA-N 315.200 3.366 0 40 DGAB O=Cc1cc(Cl)cc(Cl)c1OCC(=O)N1CCCCC1 35662385 HGRHXHWPTQJTIZ-UHFFFAOYSA-N 316.184 3.197 0 40 DGAB CCc1nc(CNC(=O)N[C@H](C)Cc2cccs2)cs1 78663436 NFEAEELRFVWSOR-SNVBAGLBSA-N 309.460 3.197 0 40 DGAB CCCC(=O)Nc1nnc(-c2ccc(OCC)c(OCC)c2)o1 36680644 RGWGSMCUKORSSS-UHFFFAOYSA-N 319.361 3.273 0 40 DGAB CC(=O)N1CCC[C@H](c2nccnc2Oc2cccc(C)c2)C1 72361707 OQTNXJDAHKIARS-HNNXBMFYSA-N 311.385 3.303 0 40 DGAB CCOc1ccc(NC(=O)N2CCCC2)cc1Br 186938739 GTHAAZXXNSPOCY-UHFFFAOYSA-N 313.195 3.476 0 40 DGAB CC(C)OCc1cccc(NC(=O)NC[C@@H]2CCCC[C@H]2O)c1 77693264 YZRCDIGIAYQIGR-DOTOQJQBSA-N 320.433 3.284 0 40 DGAB CC(C)[C@H]1CCCN1C(=O)CSCC(=O)c1ccccc1 79330765 GXJCESIEJATZRZ-OAHLLOKOSA-N 305.443 3.250 0 40 DGAB CCOc1ccccc1C[C@H](Oc1ccc(OC)cc1)C(=O)O 225104996 IOFOEBZZUMZLJP-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)Nc1cccs1 225789860 ILRJIHSOSIOOKD-AWEZNQCLSA-N 302.399 3.353 0 40 DGAB COc1c(Cl)cc(-c2nn3c(C)nnc3s2)cc1Cl 226286002 FIOHKCWKFRNJSC-UHFFFAOYSA-N 315.185 3.477 0 40 DGAB Cc1nc(CNc2c(F)cc(F)cc2Br)no1 97095833 NWPRGSNFJJMDGM-UHFFFAOYSA-N 304.094 3.031 0 40 DGAB C[C@H](NC1CCN(C(=O)C2CCCCC2)CC1)c1nccs1 96490282 NUQNVLPEALZUOC-ZDUSSCGKSA-N 321.490 3.365 0 40 DGAB Cc1nn(-c2ccc3ccc(=O)oc3c2)nc1-c1ccccc1 141955155 XIUNJRUWIWTOJP-UHFFFAOYSA-N 303.321 3.349 0 40 DGAB CNCc1cccc(NC(=O)[C@@H]2C[C@H]2c2ccc(F)c(F)c2)c1 95427855 JLHGIQTYOUNHNM-LSDHHAIUSA-N 316.351 3.426 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCCC2=CCCCC2)c(C)c1 96658791 FIXNXQQZDJNUTB-UHFFFAOYSA-N 323.458 3.481 0 40 DGAB c1cc(CN2CCC3(CC2)CO[C@@H](COCC2CC2)C3)co1 96105962 OBYMXCUXOZEOHK-QGZVFWFLSA-N 305.418 3.077 0 40 DGAB CCC(CC)n1ncc(C(=O)NCCc2ccc(F)cn2)c1C 585087510 AVUGSVCRWHLFGY-UHFFFAOYSA-N 318.396 3.059 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251216286 LKLAZQTUPPBQSF-MGBSGCIJSA-N 303.402 3.157 0 40 DGAB Cc1cnc([C@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 257323087 WISDDYXCKWEYMU-ZDUSSCGKSA-N 322.455 3.020 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@@H]2[C@H]1C(=O)O 263554004 XYUPZOOQQNGONR-HUBLWGQQSA-N 305.374 3.037 0 40 DGAB Cc1ccccc1NC(=O)NC[C@@H](O)c1cn(C)c2ccccc12 96096559 MLKJBKADGMIGQP-GOSISDBHSA-N 323.396 3.342 0 40 DGAB Oc1cc(OC(F)(F)F)c(F)cc1I 98210662 GCQVUJQPJZQVQR-UHFFFAOYSA-N 321.995 3.035 0 40 DGAB CCCn1cc(NC2CCN(C(=O)OC(C)(C)C)CC2)cn1 90191805 YXALSLAYJWAMSX-UHFFFAOYSA-N 308.426 3.105 0 40 DGAB C=Cn1ncc(CN(Cc2ccc(C)o2)C[C@@H]2CCCO2)c1C 12187458 LSHVOHKARSHHTK-KRWDZBQOSA-N 315.417 3.375 0 40 DGAB CCCC(=O)NC(=S)Nc1ccc(Br)cc1F 14257727 IMJXJQZEINXNDX-UHFFFAOYSA-N 319.199 3.201 0 40 DGAB O=C(NCCCc1ccccc1)c1cccc(N2CCCC2=O)c1 18079401 LVFPAIGIYSEFOS-UHFFFAOYSA-N 322.408 3.176 0 40 DGAB Cc1ccc(C2(C(=O)N[C@@H](C)c3ccccn3)CCOCC2)cc1 19658161 XBJLMKAREKWKTA-INIZCTEOSA-N 324.424 3.316 0 40 DGAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccccn2)cc1 13947770 BCSTYHQFABDDGQ-ZDUSSCGKSA-N 304.415 3.074 0 40 DGAB CCOc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1OC 7327757 QTLKOFSCAQEIGE-UHFFFAOYSA-N 311.341 3.223 0 40 DGAB Fc1ccc(N2CCN(c3nc4cnccc4s3)CC2)cc1 1888906453 GTIKDEVLILFQOA-UHFFFAOYSA-N 314.389 3.157 0 40 DGAB Cc1cc(N2CCC(COc3ccncc3C)CC2)nc(C)n1 1889096885 ZTWSJMNJOCNSPR-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB Cc1cccc(CC(=O)N2CCC[C@@H](COc3ccncc3)C2)c1 1776000858 NCRRDMBNDCBVJP-GOSISDBHSA-N 324.424 3.250 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 25145844 PCWUMNLEBGPMAP-ZDUSSCGKSA-N 324.380 3.115 0 40 DGAB CCOc1ccc(C(=O)NCCc2cn3ccc(C)cc3n2)cc1 2960926 XEAHUFQYSTXAGS-UHFFFAOYSA-N 323.396 3.014 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2 5136203 NEUXMTAHJYXELH-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB O=C(CCc1ccccc1)Nc1ccc(CC(=O)NC2CC2)cc1 13715879 MQLVSJWWOAEOHG-UHFFFAOYSA-N 322.408 3.079 0 40 DGAB Cc1nc(CN2CCC(COc3ncccc3C)CC2)cs1 585527590 UYLQDEKPEQUEPZ-UHFFFAOYSA-N 317.458 3.446 0 40 DGAB Cc1occc1C(=O)NCc1csc(Br)c1 40516542 RWOLRZBJUQBWDL-UHFFFAOYSA-N 300.177 3.342 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCO[C@H]1CCCC[C@@H]1C 40534983 OMAXGUITLUHHRB-JSGCOSHPSA-N 308.422 3.432 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 101126719 RYUWZDKWBSDILW-ZQIUZPCESA-N 318.848 3.425 0 40 DGAB CC1(C)[C@H]2CN(C(=O)Nc3nc(-c4cccnc4)cs3)C[C@@H]21 101353533 LJCYTFVKJVXGFS-RYUDHWBXSA-N 314.414 3.325 0 40 DGAB CCCC(=O)Nc1cccc(C(=O)NCCc2ccccc2)c1 367258 OUZJTSCILGUHEV-UHFFFAOYSA-N 310.397 3.398 0 40 DGAB biogenic Cc1csc(CNC(=O)CCC(=O)c2cc(C)sc2C)n1 21483047 MACIOAMVOVTTOI-UHFFFAOYSA-N 322.455 3.409 0 40 DGAB Cc1ncsc1CCN1CCC[C@H]1c1noc(C2CC2)n1 76047518 HBNRWWIMOYLOFN-LBPRGKRZSA-N 304.419 3.092 0 40 DGAB CC(C)Oc1ccccc1CNC(=O)N[C@H](C)c1nccs1 78602458 FCODFHRLHOPWPV-GFCCVEGCSA-N 319.430 3.491 0 40 DGAB CN(Cc1ccc(F)cc1F)c1nccc(C(F)(F)F)n1 79023245 ABDFCKJBVXAVFP-UHFFFAOYSA-N 303.234 3.410 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccc(C)c2O)cc1 3527555 OWSBZLXJVHWSMF-ZDUSSCGKSA-N 313.353 3.193 0 40 DGAB COc1cc(Br)c(Br)c(C=O)c1OC 4290816 GFJLLEHEPTTYIH-UHFFFAOYSA-N 323.968 3.041 0 40 DGAB COc1ccc(SCC(=O)Nc2ccc3c(c2)OCO3)cc1 6539683 KFEAMNOPYVQROU-UHFFFAOYSA-N 317.366 3.155 0 40 DGAB C[C@H]1CCCCN1C(=O)CCCCC(=O)N1CCCC[C@@H]1C 2750655 JUJFXCLBPZBDMK-HOTGVXAUSA-N 308.466 3.349 0 40 DGAB S=c1[nH]c2c(S)nnc(S)c2n1Cc1ccccc1 8622321 ZEVCDJNCIXGPTA-UHFFFAOYSA-N 306.441 3.115 0 40 DGAB Cc1ccc(C)c(CSc2nnc(-c3cnccn3)n2C)c1 525955 GUQQRAYDGMUABR-UHFFFAOYSA-N 311.414 3.181 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)CC1 53371390 XPLAMQGZVKHODZ-RHSMWYFYSA-N 318.461 3.326 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCCCCC2)c(C)cc1C 12291788 IVYTYSDJLCNXEF-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB C[C@H](CC(=O)NCCc1nc2ccccc2[nH]1)c1ccccc1 22313498 LJKXSSMVLQTOTB-CQSZACIVSA-N 307.397 3.415 0 40 DGAB CCOc1ccccc1CNC(=O)CCc1ccc(F)cc1 53163051 PMSDRVRZJVNHFQ-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB CC(=O)N[C@@H](CC(=O)NC1CCCCCC1)c1ccc(C)cc1 22875242 CNBGBOQADWJBGR-SFHVURJKSA-N 316.445 3.401 0 40 DGAB COc1cc(/C=C/C(=O)Nc2ncc(C)s2)cc(OC)c1 9749125 UNNOYSLVWAPESM-SNAWJCMRSA-N 304.371 3.121 0 40 DGAB O=C(NCc1ccoc1)Nc1cccc(OC[C@@H]2CCCO2)c1 47862110 GUFUAXFXQUJIBE-INIZCTEOSA-N 316.357 3.159 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CSc1cccc[n+]1[O-] 3222923 PKNWPNIMWPNUFJ-UHFFFAOYSA-N 308.790 3.013 0 40 DGAB Cn1c(SCc2ccccc2F)nc2ccsc2c1=O 26098758 ULJDGENYHDSMID-UHFFFAOYSA-N 306.387 3.426 0 40 DGAB Cc1cc([C@H]2CCCN(C[C@@H](O)c3ccc(Cl)cc3)C2)n[nH]1 107505769 YICHVJOOWCYNCY-WMLDXEAASA-N 319.836 3.285 0 40 DGAB CC[C@@H]1CC[C@H](C)N1CC(=O)N[C@H](C)c1ccccc1OC 108160010 FSOYWSRXIMLBTH-RRFJBIMHSA-N 304.434 3.135 0 40 DGAB COCCOc1ccc(NC(=O)N[C@H]2CCCC[C@@H]2C)cc1 44301333 MPLGXLBLMJIKKE-BBRMVZONSA-N 306.406 3.412 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1ccccn1 58085745 WXVPRNOWADAZNA-ZDUSSCGKSA-N 313.405 3.232 0 40 DGAB COC[C@@H](C)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 27468466 LMRCAALUYIJWOY-CYBMUJFWSA-N 323.396 3.099 0 40 DGAB Cc1ccccc1CC(=O)N[C@@H](c1ccccc1)c1nccn1C 44890756 XAFKAHAUOYKNDZ-IBGZPJMESA-N 319.408 3.177 0 40 DGAB Cc1ccc(-n2ccnc2S[C@@H]2CCCCNC2=O)cc1C 10271232 DKFSVQLTVIPHNG-OAHLLOKOSA-N 315.442 3.250 0 40 DGAB Brc1cccc(Oc2nnnn2-c2ccccc2)c1 3300131 IEHXFJOFZSPXHN-UHFFFAOYSA-N 317.146 3.217 0 40 DGAB CC[C@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccc(OC)cc1 58353989 LTGRTESUSGWCSY-INIZCTEOSA-N 314.385 3.117 0 40 DGAB O=C(c1ccc(F)cc1)N1CCO[C@@H](c2ccc(F)cc2)C1 29112325 YGXMWOZYXXOTNN-MRXNPFEDSA-N 303.308 3.179 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 3400127 ZXRVQTNVNQNYMC-AWEZNQCLSA-N 311.381 3.489 0 40 DGAB CC(C)c1ccccc1NC(=O)COC(=O)c1cccc(O)c1 3511742 KQBLCNHOUNZPPR-UHFFFAOYSA-N 313.353 3.311 0 40 DGAB COc1ccc(OC)c(-c2c(C)c3ccc(O)cc3oc2=O)c1 4084436 AMLLXPGYWQAJJA-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic Cc1cc(CN(C)C(=O)N[C@@H]2C[C@H]2c2ccccc2Cl)no1 69619460 TWIZCLPMRDSWDL-DZGCQCFKSA-N 319.792 3.334 0 40 DGAB CNC(=O)[C@@H](NCc1ccc(C)cc1C)c1ccc(F)c(F)c1 69633011 RQAWPLUVILZETK-KRWDZBQOSA-N 318.367 3.159 0 40 DGAB COc1ccccc1C(C)(C)NCn1nc(C)sc1=S 69708197 FIEQVPCDUFIVGE-UHFFFAOYSA-N 309.460 3.474 0 40 DGAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2F)c1 6486721 QSFQXCUDDOVPHY-LLVKDONJSA-N 317.316 3.018 0 40 DGAB Cc1cc(N2C(=O)[C@H]3CC[C@@H](c4ccccc4)C[C@@H]3C2=O)no1 18243911 GYBNSBLUKWPBKZ-ILXRZTDVSA-N 310.353 3.056 0 40 DGAB CC[C@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F 180885339 CPZSNSDNYQBBFN-QWHCGFSZSA-N 318.314 3.030 0 40 DGAB C(=C/c1nn2c(-c3cccnc3)nnc2s1)\c1cccs1 4776385 HUFDTJCYHZRQQN-AATRIKPKSA-N 311.395 3.480 0 40 DGAB O=C(COc1cccc(F)c1)c1ccc(N2CCCC2=O)cc1 7549028 IMYRLQJCJFOPGK-UHFFFAOYSA-N 313.328 3.214 0 40 DGAB O=C(O[C@H]1CCOC1=O)c1sc2cc(F)ccc2c1Cl 7654838 VBFWCCSEBHTOPU-QMMMGPOBSA-N 314.721 3.166 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccsc2)N1C[C@@H]1CCCO1 8157104 JDDCBTJSGZXWKX-BBRMVZONSA-N 314.410 3.494 0 40 DGAB O=c1c2ccsc2ncn1Cc1coc(-c2cccs2)n1 8244396 QQAHMNHQMLHMJU-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB COc1ccc(C)c(NC(=O)NC[C@H](C)c2nccs2)c1 97113377 UAWMUNLTRCYZAK-NSHDSACASA-N 305.403 3.385 0 40 DGAB COc1ccc(S(=O)(=O)N2CCC23CCC3)c2ccccc12 72307415 LHQWOBGOTURMMM-UHFFFAOYSA-N 317.410 3.166 0 40 DGAB O=c1[nH]c(CN2CCCC2)nc2sc(-c3ccccc3)cc12 9364166 WPVCUMNOYOGGTM-UHFFFAOYSA-N 311.410 3.247 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1ccc(F)cc1 9500644 QTTKPAQKGXRCHZ-GFCCVEGCSA-N 301.317 3.434 0 40 DGAB Cc1c(C(=O)N2CC[C@H](c3ccccc3)C2)[nH]c2c1C(=O)CCC2 71844387 WJKYRWOBTAEECZ-HNNXBMFYSA-N 322.408 3.472 0 40 DGAB O=C(OC1CCCC1)[C@@H]1CC(=O)N(c2ccc3c(c2)CCC3)C1 84459532 BPECZOLWZNGIIA-OAHLLOKOSA-N 313.397 3.014 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@@H](NC2CCSCC2)C1=O 95398197 FAEHTTRUVPCCCP-OAHLLOKOSA-N 322.449 3.115 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@H](C)c2sccc2C)c1 95422669 JZOIYJWOTDFDCW-MLGOLLRUSA-N 321.442 3.458 0 40 DGAB CC[C@H](C)NC(=O)CCN[C@H](C)c1cc(F)c(F)c(F)c1 95421003 YZXIISCNJBDBFX-VHSXEESVSA-N 302.340 3.059 0 40 DGAB CCCCCS(=O)(=O)Nc1nnc(CC2CCCC2)s1 95995776 APDBXMHQFAGSFC-UHFFFAOYSA-N 317.480 3.203 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(CCNCc2ncc[nH]2)cc1 88757262 WICBALDHTURVGF-UHFFFAOYSA-N 316.405 3.089 0 40 DGAB CN(C)C(=O)Nc1cccc(CNC(=O)C2=C(Cl)CCC2)c1 89312056 GTLUPYBSKPGAQX-UHFFFAOYSA-N 321.808 3.073 0 40 DGAB CN(Cc1ccsc1)C(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117491 JMOFWDZLGCUOPL-UHFFFAOYSA-N 324.405 3.376 0 40 DGAB Cc1nc(CN2CCC[C@H]2c2c(C)nn(C)c2Cl)oc1C 75605239 JHEZULBRDHCTIS-LBPRGKRZSA-N 308.813 3.324 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1c(O)ccc2ccccc12 21596381 WDAHQPAVGAKEPB-UHFFFAOYSA-N 302.399 3.405 0 40 DGAB COc1ccccc1/C=C1/NC(=O)N(Cc2ccc(C)cc2)C1=O 409221980 AIZARQGTVSDFCJ-LFIBNONCSA-N 322.364 3.097 0 40 DGAB CN(C)C1(CNC(=O)CCc2ccc(F)cc2)CCCCC1 60886415 GFVGDWZZWWFRBT-UHFFFAOYSA-N 306.425 3.139 0 40 DGAB COc1ccc2c(c1)[C@@H](NCc1cnn(C)c1C)CCCS2 188278914 WVYOSVPNFQSKPT-INIZCTEOSA-N 317.458 3.454 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)c1ccc(F)cc1C 42669050 NPPZPJCBQAIHPD-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 40121960 CLHJJPAGWBVCKN-LBPRGKRZSA-N 316.426 3.206 0 40 DGAB CCn1c(C)cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1C 222734557 UNFXCNWHGKHYIX-HOTGVXAUSA-N 314.458 3.122 0 40 DGAB CCOc1cccc(CNC(=O)Cc2ccc(OC)c(C)c2)c1 225323195 BHXLTVSTAGFPSK-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB Cc1nc(-c2nnc(NC(=O)/C=C/c3cccs3)o2)cs1 49029219 COHSJATXQKBJHN-SNAWJCMRSA-N 318.383 3.215 0 40 DGAB CCCOc1ccc(NC(=O)C(F)(F)F)cc1C(=O)OCC 225782282 TZFSARQUKHOLEL-UHFFFAOYSA-N 319.279 3.153 0 40 DGAB CCC(CC)NC(=S)Nc1cccc(N2CCCC2=O)c1 225801749 TVYYKIQAXDBWHN-UHFFFAOYSA-N 305.447 3.288 0 40 DGAB Cc1c(C(=O)N[C@H]2CCCc3c2cnn3C)oc2ccccc12 47490196 QQFBAKSKAYNNFV-AWEZNQCLSA-N 309.369 3.282 0 40 DGAB Cc1cc2nc(-c3ccc(-n4cnnc4)cc3O)oc2cc1C 45920457 ZIERJUCURSHMCJ-UHFFFAOYSA-N 306.325 3.398 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2C)c(OC)c1 225308623 OQSRBQNLVSCPEA-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB COc1ccc(O[C@@H](Cc2ccccc2Cl)C(=O)O)cc1 225056766 XQUWZZVKUHIKTB-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1ccc(C)c([C@@H]2CCCN2Cc2cnc(C(=O)O)cn2)c1 530163474 NWJQIOCXVLYJIK-KRWDZBQOSA-N 311.385 3.129 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)Nc1nc(-c2ccc[nH]2)cs1 192260926 PUPGODNEUDRARH-UHFFFAOYSA-N 321.402 3.199 0 40 DGAB COc1cccc([C@H](CO)Nc2cc(C(F)(F)F)ccn2)c1 95408638 PIIHCLYAPBGXGV-ZDUSSCGKSA-N 312.291 3.255 0 40 DGAB CO[C@H](C(=O)NCc1ccnc2ccccc12)c1ccccc1 96451543 MVNFAOLCWKMJNV-SFHVURJKSA-N 306.365 3.239 0 40 DGAB Cc1noc([C@@H]2C[C@@H]3CCN(Cc4sccc4C)C[C@H]3O2)n1 96042970 VUTHFZLSSCSXHJ-MELADBBJSA-N 319.430 3.100 0 40 DGAB CCc1cc(CN[C@@H]2CCCOc3ccc(OC)cc32)on1 531721458 QSHYXLPOXCPWLB-MRXNPFEDSA-N 302.374 3.249 0 40 DGAB COc1ccc(Cc2cnc(NCc3ccnn3C)s2)cc1 97375382 UHSJWKNOORKXTE-UHFFFAOYSA-N 314.414 3.088 0 40 DGAB COC(=O)c1ccc(OC(C)C)c(NCc2nccs2)c1 95431253 MXBDVXOBEGOOJG-UHFFFAOYSA-N 306.387 3.329 0 40 DGAB CCn1c(CN(C)Cc2cn3ccccc3n2)nc2ccccc21 96455337 UIQOGQZWQKWRNI-UHFFFAOYSA-N 319.412 3.336 0 40 DGAB CCC[C@H](NC(=O)Cc1cc(C)[nH]n1)c1ccc(F)cc1F 96467100 GIFWRYYUDISYFA-HNNXBMFYSA-N 307.344 3.196 0 40 DGAB CCN1CCC2(CC1)C[C@@H](NCc1nccn1C)c1ccccc12 96241437 BPXFYPNRENOEDW-GOSISDBHSA-N 324.472 3.008 0 40 DGAB COc1cccc(-c2n[nH]c([C@@H](N)c3ccc(Cl)cc3)n2)c1 95533951 VPPSYWCVTNSXJT-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N1CCOc2ccc(C)cc2C1 585082410 PJGNCLDEPRURNQ-KRWDZBQOSA-N 317.429 3.454 0 40 DGAB O=C(c1ccsc1)N1Cc2nccn2C[C@H]1c1ccccc1 257285655 PIDMPKUZUVAIJY-HNNXBMFYSA-N 309.394 3.342 0 40 DGAB CC(C)(C)OC(=O)N1CCC(O)(CC(=O)c2ccccc2)CC1 252487459 HWKUHHVHISVGLN-UHFFFAOYSA-N 319.401 3.021 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1[C@H]1CCC(=O)N1 585128808 NXALKUXELQUXDG-AYMQEEERSA-N 312.413 3.403 0 40 DGAB Cc1ccnc([C@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)n1 257310614 UFWYMIDBFGHKRE-INIZCTEOSA-N 319.412 3.165 0 40 DGAB CN(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1ncccn1 257294133 QSRDEDNUNYFPEQ-UHFFFAOYSA-N 319.364 3.478 0 40 DGAB Cc1cccnc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257289386 PYJRJNOEIPOFNS-OAHLLOKOSA-N 307.401 3.041 0 40 DGAB CC1(C)[C@H](C(F)(F)F)CCN1C(=O)c1ccc(C(=O)O)cc1 262549463 SGEMZTDYRDRFIA-LLVKDONJSA-N 315.291 3.188 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CCCO1 48139126 LMSXBCCWUUAMQH-WBMJQRKESA-N 321.396 3.115 0 40 DGAB c1ccc2oc([C@@H]3CCCN(C[C@H]4CCCOC4)C3)nc2c1 675515990 UHOZUKMGDZCKOK-HUUCEWRRSA-N 300.402 3.434 0 40 DGAB Nc1cc(Cl)ccc1NS(=O)(=O)c1ccc(Cl)cc1 21514405 HCKGHPYHZKVJTA-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB CCCn1ccc2c(cnc3c(-c4ccccc4)c(C)nn32)c1=O 12323121 LPOPBMHKVIEQIV-UHFFFAOYSA-N 318.380 3.430 0 40 DGAB O=C(CCCc1nc(-c2ccco2)no1)Nc1ccccc1F 15415754 JIOKJGVFQGJKPI-UHFFFAOYSA-N 315.304 3.430 0 40 DGAB O=C(Nc1nc(-c2cccnc2)cs1)c1ccnn1C(F)F 19340802 VGFOOSQOBWMRNY-UHFFFAOYSA-N 321.312 3.049 0 40 DGAB O=C(O)/C=C/c1cc(Br)cc(Br)c1 2575710 YHQAKQMFFUZLKL-OWOJBTEDSA-N 305.953 3.309 0 40 DGAB C/C=C/C[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@H]1OC(=O)C=C[C@@H]1CC 14658464 XIHGDBYGUWEHCV-PUBGEXRCSA-N 324.461 3.499 0 40 DGAB O=C(O)CCCCCNC(=O)CSc1ccc(Cl)cc1 6322282 HTBWIXWEDFZGHA-UHFFFAOYSA-N 315.822 3.193 0 40 DGAB O=C(Cc1c(Cl)cccc1Cl)NCCc1cccnc1 23874839 LRPCNUDQHDVIMW-UHFFFAOYSA-N 309.196 3.290 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2nccc3occc23)C1 2087136676 BSDUQXZVZAACPK-CYBMUJFWSA-N 315.417 3.301 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 4941244 YPWYDPHCQNLGPT-OAHLLOKOSA-N 304.390 3.192 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)c1ccc2ncsc2c1 206698259 PBRUUAVRAIVGJM-GFCCVEGCSA-N 318.423 3.130 0 40 DGAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)c1cccs1 206715341 CVORYWHMUAVJIT-ZDUSSCGKSA-N 309.818 3.184 0 40 DGAB c1cc(N2CCC[C@@H](COc3nccs3)C2)nc(C2CC2)n1 2298184011 RLLKSGZIWGDDDH-GFCCVEGCSA-N 316.430 3.106 0 40 DGAB COc1ccc(CC(=O)Nc2ccccc2N2CCCC2)cc1 7107169 BLOMUZNJJBZAHX-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB O=C1C[C@H](C(=O)Nc2cc(F)cc(F)c2)c2ccccc2N1 10491301 GFNFHVUJYUKRJZ-ZDUSSCGKSA-N 302.280 3.029 0 40 DGAB CC1(C)c2ccccc2N(CC(N)=O)[C@@]12C=Cc1ccccc1O2 47907 MIUAWLSDZITJFD-HXUWFJFHSA-N 320.392 3.072 0 40 DGAB CC(=O)Oc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 70847 PPEDWYGCVFHWAA-UHFFFAOYSA-N 316.382 3.200 0 40 DGAB CCCn1c(=O)c(C(=O)Nc2ccccc2)c(O)c2ccccc21 100498418 MFDSDIBOIYEZDV-UHFFFAOYSA-N 322.364 3.369 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(N2CCCCC2)c2nonc12 32578969 RUQDPBXSMCMKTD-NSHDSACASA-N 317.393 3.133 0 40 DGAB CCOc1ncccc1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 32744999 HTIJBJHGYVVUPM-NSHDSACASA-N 318.348 3.119 0 40 DGAB CN(C)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 73771 KTLBHNHQTSINLA-UHFFFAOYSA-N 309.822 3.354 0 40 DGAB CONC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 29860582 MZCSNSLEJXFGRX-UHFFFAOYSA-N 324.384 3.279 0 40 DGAB COC[C@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccc(C)o1 76093581 MFSBVUIRRQEAGF-LBPRGKRZSA-N 313.275 3.123 0 40 DGAB C[C@@H]1CCc2c(sc(=O)n2CCCOCC(F)(F)F)C1 76019701 GRPPUCBGSVKGRV-SECBINFHSA-N 309.353 3.004 0 40 DGAB O=C(O)c1ccccc1C(=O)OC[C@H]1CCc2ccccc2C1 1597590 RWJNXDPIIWEQLC-ZDUSSCGKSA-N 310.349 3.347 0 40 DGAB Cc1cc(C(=O)N[C@H](CN(C)C)c2ccccc2)c(C)s1 52556364 HSPYBSBIOQXGMA-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB C[C@@H](NC(=O)Nc1ccc2nn[nH]c2c1)c1cccc(Cl)c1 79110518 YGGXEUZAGFCQLY-SECBINFHSA-N 315.764 3.494 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@@H]1c1ccccc1F 79114238 WFLBYXNTYPHQQN-KGLIPLIRSA-N 323.371 3.464 0 40 DGAB Cc1ccc(OCC(=O)Nc2nnc(C3CC3)s2)cc1C 3550911 CEHYPWQOGHQBQC-UHFFFAOYSA-N 303.387 3.050 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)N[C@@H](C)CCC(C)C)c1 32958683 HOFOFJXCQLQQGU-HNNXBMFYSA-N 304.434 3.056 0 40 DGAB O=Cc1c(O)nc2ccccc2c1NCCN1CCCCCC1 6681839 UESPUYSWNWYTGC-UHFFFAOYSA-N 313.401 3.041 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1cccc(NC(N)=O)c1 7406801 DHXRGMYOHULJMQ-UHFFFAOYSA-N 303.749 3.391 0 40 DGAB O=C(Nc1nc2ccccc2s1)N[C@@H]1CCN2CCCC[C@H]12 47104880 IYTOJXVQFBETDF-DGCLKSJQSA-N 316.430 3.045 0 40 DGAB Cc1ccc(-c2nc(CS(=O)(=O)c3ccccn3)co2)cc1 47620255 ZQLOLKXOJNYCFU-UHFFFAOYSA-N 314.366 3.019 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)c1 12542329 PEIDWLSSLYKECC-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB O=S(=O)(c1ccc(F)c(C(F)(F)F)c1)N1CCCCC1 60035260 HKZRMJONSYOQCL-UHFFFAOYSA-N 311.300 3.019 0 40 DGAB Cc1nc(C)c(C(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)s1 44891433 PAGRRUMZZCSSIV-VIFPVBQESA-N 318.398 3.022 0 40 DGAB O=C(NCc1ccc(O)cc1)c1cc(-c2cccs2)on1 58393544 XGQLAJYYYMRJIJ-UHFFFAOYSA-N 300.339 3.039 0 40 DGAB O=C(CCC1CCCC1)NCCN1CCc2ccccc2C1 45076647 JSBGGQXYUVEAAI-UHFFFAOYSA-N 300.446 3.131 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2nnc(CC(C)C)s2)c1C 21745998 FLLICNOJRVKHDL-UHFFFAOYSA-N 320.418 3.136 0 40 DGAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)NC1CCCC1 2364372 IECQREYPFLJVNU-UHFFFAOYSA-N 319.792 3.381 0 40 DGAB CC(C)(C)c1ccc(C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 69629081 WZQHMRMEAMVSGZ-MRXNPFEDSA-N 312.417 3.053 0 40 DGAB COC(=O)c1c(C)nn(Cc2cc(F)cc3cccnc23)c1C 69653196 CXXHLIGDUFROLN-UHFFFAOYSA-N 313.332 3.022 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccc(F)c1 3405212 RZRUFSZLWMCAPI-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1ccc(C(N)=O)c(OCC(=O)c2cc(C)sc2C)c1 12975280 PMHJTCBUKSOOTD-UHFFFAOYSA-N 303.383 3.034 0 40 DGAB O=C1CN(c2ccccc2)C(=O)N1Cc1ccc(Cl)s1 48601640 XRQYAKUFABTMQB-UHFFFAOYSA-N 306.774 3.370 0 40 DGAB CN(c1ccc(N)cc1F)C1CCN(C(=O)OC(C)(C)C)CC1 16158976 GLWDHLXFHIJYCE-UHFFFAOYSA-N 323.412 3.244 0 40 DGAB CCOc1cccc([C@H](C)NC(=O)N(C)Cc2cc(C)on2)c1 63323242 DEHILIMHSYCLGG-ZDUSSCGKSA-N 317.389 3.284 0 40 DGAB c1cc(CNCc2csc(C3CC3)n2)c2c(c1)OCCCO2 69876773 GJLRRDAMWZYEGH-UHFFFAOYSA-N 316.426 3.472 0 40 DGAB C[C@@]1(C(=O)N2CCCc3ccccc32)Cc2ccccc2C(=O)O1 5033509 LTZKZHNZCSXOCZ-FQEVSTJZSA-N 321.376 3.138 0 40 DGAB CCc1n[nH]c(S[C@H](C)C(=O)Nc2cccc(Cl)c2)n1 6168641 AOBWWAJEOMMGKU-MRVPVSSYSA-N 310.810 3.140 0 40 DGAB Cc1cc2nc(N(C)Cc3ccccn3)c3ccccc3n2n1 49980119 UPYDOHHVDWFJTE-UHFFFAOYSA-N 303.369 3.222 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)Nc1cccnc1N1CCCC1 65415367 YECFCVVRYOUTHI-ZDUSSCGKSA-N 314.389 3.028 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H](n3cccn3)C2)oc2ccccc12 65609737 OPMQURBCGMRIBT-CQSZACIVSA-N 309.369 3.415 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 4653995 CHEKABFAKPKUDR-AWEZNQCLSA-N 321.735 3.425 0 40 DGAB O=c1c(Cl)c(N2CCCCCC2)cnn1Cc1ccccc1 6758568 LFNSKCPEUKVSGO-UHFFFAOYSA-N 317.820 3.325 0 40 DGAB O=C(NCCc1ccccc1Cl)c1ccc2c(c1)OCCO2 67084370 ZDUJBSSSGAFKSJ-UHFFFAOYSA-N 317.772 3.084 0 40 DGAB Cc1csc2nc(CN3CCC[C@H]4CCCC[C@@H]43)cc(=O)n12 67132629 RRFNNMHBODCXBF-HIFRSBDPSA-N 317.458 3.219 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 15323484 LTNFPLANGGNCLA-UHFFFAOYSA-N 322.286 3.317 0 40 DGAB c1ccc(-c2ccc(CN[C@@H]3CCc4ncnn4C3)cc2)cc1 69491694 WLYMTVPGTQDTAS-GOSISDBHSA-N 304.397 3.050 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(C(C)=O)cc1 7373219 WHJDAYSPTRUYIX-UHFFFAOYSA-N 319.382 3.007 0 40 DGAB CC[C@H](C)C(=O)COc1ccccc1I 87537044 XGTPRSIOVTXIFY-VIFPVBQESA-N 318.154 3.285 0 40 DGAB CC(C)Cn1cc(NC(=O)NCc2ncc(C(C)(C)C)o2)cn1 84575365 RERKVZRTMOHRQA-UHFFFAOYSA-N 319.409 3.146 0 40 DGAB C[C@H](NC(=O)N1CC2(CC2)c2ccccc21)C1CCOCC1 95417350 ZPHGKLRFJJERLR-ZDUSSCGKSA-N 300.402 3.063 0 40 DGAB Cc1ccc(OC2CCN(C(=O)[C@@H](N)c3ccccc3)CC2)cc1 95426444 BMQQLIKVYLTWHQ-IBGZPJMESA-N 324.424 3.065 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@@H]1CCO[C@H](C)C1 95457848 SBCOCDVQXRFUSF-DGCLKSJQSA-N 318.392 3.089 0 40 DGAB C/C(=C\C(=O)NCC1CCN(Cc2cccs2)CC1)C1CC1 96187996 OBUJGFQPYIFXEP-SDNWHVSQSA-N 318.486 3.433 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)N2CC[C@@H]3CCCC[C@@H]3C2)n1 9495370 MPEHTEQIPNQMMH-QWHCGFSZSA-N 322.478 3.059 0 40 DGAB C[C@H](Oc1cccc(F)c1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 71818771 YPQKSPXEBRMEEY-BLLLJJGKSA-N 302.349 3.285 0 40 DGAB CC[C@H](NC(=O)N1CC[C@H](OCC(C)C)C1)c1nccs1 95413511 LAWDGIDTOVLLDI-STQMWFEESA-N 311.451 3.051 0 40 DGAB Cc1ccc(C)c(CC(=O)Nc2cccc(-c3nc[nH]n3)c2)c1 71907657 FFYHUENFYCWHMJ-UHFFFAOYSA-N 306.369 3.270 0 40 DGAB Cc1oc(C)c(C(=O)OCC(=O)Nc2ccc(Cl)cn2)c1C 9641568 BXIMUOIMBOESCS-UHFFFAOYSA-N 322.748 3.049 0 40 DGAB CC(C)C[C@H](C)OCCC(=O)Nc1cccc([S@@](C)=O)c1 87303557 OOAGRFDZHKEXAE-ZSEKCTLFSA-N 311.447 3.204 0 40 DGAB C[C@@H](CCc1cccc(F)c1)N1CCOC2(CCOCC2)C1 97084465 BKPOULDLTWHMEW-HNNXBMFYSA-N 307.409 3.028 0 40 DGAB FC(F)(F)c1ccn(C2CCN(Cc3ccncc3)CC2)n1 97048575 OGNHFOKIPPXHNE-UHFFFAOYSA-N 310.323 3.134 0 40 DGAB CC(C)CCC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 72293579 CVDMFXGTANVGML-KGLIPLIRSA-N 312.454 3.184 0 40 DGAB O=C(N[C@@H](CCCO)c1ccccc1)c1ccc2[nH]ccc2c1 95976857 HRUGCTDLJNRQOQ-SFHVURJKSA-N 308.381 3.412 0 40 DGAB COc1cc(CSCc2ccco2)ccc1S(C)(=O)=O 95960727 OLTVRGYNAFZEKZ-UHFFFAOYSA-N 312.412 3.125 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)c2ccsc2)cc1OC 74610701 GVRDYHLHOJQETN-SECBINFHSA-N 309.362 3.395 0 40 DGAB C[C@@H](OC(=O)c1ccncc1F)c1nnc(-c2ccccc2)o1 75145975 RXZYVQNZGFJJLD-SNVBAGLBSA-N 313.288 3.189 0 40 DGAB O=C1COc2ccc(Cl)cc2CN1Cc1ccccc1F 65184382 ZZANJYYMJGGBGM-UHFFFAOYSA-N 305.736 3.400 0 40 DGAB COc1ccc(-c2nnc(SC(=O)c3ccco3)o2)cc1 408692058 CKYLNYYFRNVDFY-UHFFFAOYSA-N 302.311 3.271 0 40 DGAB C[C@@H]1CN(C(=O)/C=C\c2ccccc2)c2ccccc2NC1=O 31903324 KCQDVPWRPNKLJB-XMXAVACDSA-N 306.365 3.321 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCO1 78550550 MCTARZOYIBWEHX-CQSZACIVSA-N 324.380 3.170 0 40 DGAB Cc1cc(C(=O)Nc2ccc(Cl)cc2)c2cnn(C)c2n1 36616492 SMERMYUODNIEMD-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB O=C(O)COc1ccc(/C=C2\Sc3ccccc3C2=O)cc1 78326069 YFFNZURAEQGTEL-DHDCSXOGSA-N 312.346 3.480 0 40 DGAB Cc1cccc2nc(-c3nnc(Cc4ccccc4)o3)c(F)n12 66089220 UHSQHKVBWDWUAI-UHFFFAOYSA-N 308.316 3.423 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C[C@H]2CC[C@@H]1C2 73955615 FXQVPKZHZRWGSL-LZLYRXPVSA-N 313.441 3.287 0 40 DGAB COc1ccc(OC)c(-c2cn3c(C)c(C(=O)O)sc3n2)c1 33419042 MWBOINJZVGHIRQ-UHFFFAOYSA-N 318.354 3.087 0 40 DGAB Cc1ncn(-c2cc(Br)ccc2OC(F)(F)F)n1 2362803631 SBTVAEOLKKGXDC-UHFFFAOYSA-N 322.084 3.237 0 40 DGAB COc1ccc(CNC(=O)c2c(F)cccc2Cl)c(OC)c1 72331815 ZYIAKWDWLZDUOM-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)Nc1cccc2c1CNC2=O 561679580 LCDCNULQQXBZAS-UHFFFAOYSA-N 315.398 3.071 0 40 DGAB Cc1ccc(S(=O)(=O)N(Cc2ccsc2)C2CC2)s1 49393327 QZUBSBBICSTPFM-UHFFFAOYSA-N 313.469 3.471 0 40 DGAB Cc1ccc(CNc2cccc(NC(=O)CO)c2)cc1Cl 195447373 WDHMIARKHAHIMQ-UHFFFAOYSA-N 304.777 3.191 0 40 DGAB COc1cc(CN2CCSC[C@@H]2c2nccs2)ccc1O 194995821 INPKEQHQVAUOIZ-GFCCVEGCSA-N 322.455 3.147 0 40 DGAB CCc1cc(N)cc(C)c1NC(=O)c1ccc(OC)c(OC)c1 45889880 MFDVSNQJTSICQX-UHFFFAOYSA-N 314.385 3.409 0 40 DGAB CCOc1ccccc1CCCNC(=S)Nc1cccnc1 225398533 KLJDBXCQEINIGE-UHFFFAOYSA-N 315.442 3.400 0 40 DGAB COc1ccc(NC(=S)N[C@H](C)c2ccc(F)cc2)cn1 225475251 FYGIZHAUMOKFDN-SNVBAGLBSA-N 305.378 3.277 0 40 DGAB CCCNC(=O)Nc1ccccc1C(=O)N1CCCCCC1 225773797 WGAPBSITQFLFET-UHFFFAOYSA-N 303.406 3.234 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@H]1CCCc2ccccc21 225594722 CDCDPMXJCBIADG-INIZCTEOSA-N 319.401 3.490 0 40 DGAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@@H]2CCCO2)c1 49891002 ZEAUICFOJGMTAI-GJZGRUSLSA-N 305.418 3.181 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3cccc(C(F)(F)F)c3)=NN[C@@H]2C1 228924551 VXFCTMWUXGFSCN-DGCLKSJQSA-N 310.319 3.387 0 40 DGAB C[C@H](NCC[C@@H](C)O)c1nc2cc(C(F)(F)F)ccc2n1C 195553585 LUSGTYRQXSEEKN-ZJUUUORDSA-N 315.339 3.014 0 40 DGAB CO[C@H](CNC(=O)c1cccc(N(C)C)c1)c1ccc(C)s1 96104684 UTNTUFAAYREGRC-OAHLLOKOSA-N 318.442 3.240 0 40 DGAB CC(C)N1CCOC[C@@]2(CCCN(Cc3cccc(F)c3)C2)C1 96228733 UYXGDFDULSEZRR-LJQANCHMSA-N 320.452 3.149 0 40 DGAB CN(C)[C@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079192 JLPIOWKDMCVGBL-SFHVURJKSA-N 323.440 3.195 0 40 DGAB COCCN1CCC2(CC1)C[C@H](N1CCCC1)c1ccccc12 96079197 CSPBDAHNIRICLY-IBGZPJMESA-N 314.473 3.207 0 40 DGAB Cc1ccccc1CNC(=O)CSc1nnc(C2CC2)s1 96444881 MLXMTAPBRARKBK-UHFFFAOYSA-N 319.455 3.132 0 40 DGAB Cc1cn2c(n1)CC[C@H](NC(=O)CCc1cc3ccccc3o1)C2 97198709 PHMWFYNSOCBYJT-HNNXBMFYSA-N 323.396 3.002 0 40 DGAB CC[C@@H]1C[C@H](Cc2nc(-c3ccccc3OC)no2)CCO1 252508973 XZUUOULDLXQVDP-CHWSQXEVSA-N 302.374 3.493 0 40 DGAB CCN(Cc1cnc2ccccn12)C(=O)/C=C/c1cccs1 96025062 FDJKLPPNYHYMDD-CMDGGOBGSA-N 311.410 3.458 0 40 DGAB CCN(CC)Cc1cccc(NC(=O)Cc2ccccc2O)c1 60344222 JLOJCGZXZTYQJA-UHFFFAOYSA-N 312.413 3.415 0 40 DGAB COc1cc(C)cc(OC)c1OCC(=O)Nc1ccc(F)cc1 5454730 JVPIOJDRBUFIPL-UHFFFAOYSA-N 319.332 3.169 0 40 DGAB CC[C@H](C)OC(=O)CNCCO[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 13751205 HRPHOCGNCCHABP-YRBFXIGRSA-N 311.466 3.149 0 40 DGAB CC(C)(C)n1cc2c(n1)[C@H]1CN(C(=O)c3ccccc3)C[C@H]1CC2 19084887 MOVDJYDQXFAORA-WBVHZDCISA-N 323.440 3.440 0 40 DGAB CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@@H]3OCCO[C@H]3C2)cc1 253403378 PTDMRSHXOPZQEL-IKGGRYGDSA-N 317.429 3.050 0 40 DGAB CO/C=C(\C(=O)OC)c1ccccc1Oc1cc(Cl)ncn1 34742904 YRYZZSRRDCTETP-FLIBITNWSA-N 320.732 3.083 0 40 DGAB CC(C)c1ccc(NC(=O)c2cc3cccnc3n(C)c2=O)cc1 5303605 WZCWXLACONDXSJ-UHFFFAOYSA-N 321.380 3.309 0 40 DGAB Clc1ccc2oc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)nc2c1 1889133949 JKRJSDUWPVWXQX-RYUDHWBXSA-N 317.820 3.402 0 40 DGAB Cn1/c(=N/C(=O)c2ccccc2F)sc2cccc(F)c21 100909421 QQVSVXQWTVLSMR-SDXDJHTJSA-N 304.321 3.259 0 40 DGAB Cn1cc([C@@H]2CN(C(=O)c3ccsc3)Cc3ccccc32)cn1 575620836 VXSXPQHWIZYPCI-KRWDZBQOSA-N 323.421 3.270 0 40 DGAB COc1cc(Nc2ccc(NC(=O)C(C)C)cc2)nc(C)n1 12225178 QNKUARREQSWPDR-UHFFFAOYSA-N 300.362 3.132 0 40 DGAB COC(=O)COc1cccn2cc(-c3ccc(Cl)cc3)nc12 20030697 DNWLHRSFWDBXOU-UHFFFAOYSA-N 316.744 3.207 0 40 DGAB O=C(NCCN1CCc2ccccc2C1)c1cccc(Cl)c1 31337930 KISQWNLPBKXDGC-UHFFFAOYSA-N 314.816 3.128 0 40 DGAB Fc1ccc(N2CCN(Cc3cnc(Cl)s3)CC2)cc1 20405401 CNDXSKWUIWEEAS-UHFFFAOYSA-N 311.813 3.258 0 40 DGAB Cn1ccc(CN[C@H](Cc2ccccc2)c2ccccc2)cc1=O 51797350 DLVUXMUZYDZBHJ-HXUWFJFHSA-N 318.420 3.459 0 40 DGAB CCCc1c(C)c2ccc(O[C@H](C)C(=O)OCC)cc2oc1=O 82744 OQNMLZQIJXFLOW-GFCCVEGCSA-N 318.369 3.384 0 40 DGAB biogenic C[C@H](c1cccc(Cl)c1)N(C)c1ncnc2c1cnn2C 52472051 LLTHTWIPMFAXGY-SNVBAGLBSA-N 301.781 3.214 0 40 DGAB FC(F)(F)c1ccc(Sc2cc(-n3ccnc3)ncn2)nc1 77188215 QQEXELDPLORBDD-UHFFFAOYSA-N 323.303 3.227 0 40 DGAB CC1(C)COC(c2cc3c(cc2Br)OCO3)OC1 1663817 NVJIZGSBMYCAQD-UHFFFAOYSA-N 315.163 3.249 0 40 DGAB COc1ccc([C@@H](C)S(=O)(=O)c2ccccc2)cc1OC 1703894 QEFKREHPNMDMCB-GFCCVEGCSA-N 306.383 3.239 0 40 DGAB CC(C)COc1ccc(NC(=O)c2ccc(=O)[nH]c2)cc1Cl 32809479 IZNWVOIANRJCSS-UHFFFAOYSA-N 320.776 3.315 0 40 DGAB CO[C@@H]1CCCC[C@H]1OC(=O)c1coc(-c2ccccc2)n1 78076516 SHLUODCGOGBWOE-HUUCEWRRSA-N 301.342 3.456 0 40 DGAB CCCCCOC(=O)[C@@H](C)n1cnc2sc(CC)cc2c1=O 1892813 CGKYCMLKFBMRCT-LLVKDONJSA-N 322.430 3.315 0 40 DGAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CCc2cscn2)C1 78877366 NFMUSRBMMISLTR-CYBMUJFWSA-N 315.442 3.195 0 40 DGAB O=C(OC[C@H]1CCCN(C(=O)c2ccccc2)C1)C1CC=CC1 79014825 YDYIYVJJQZIMLK-HNNXBMFYSA-N 313.397 3.048 0 40 DGAB Cc1c(C(=O)N2CC[C@@H](CN(C)C)C2)oc2ccc(Cl)cc12 69971583 WMDDRPASWMHJIV-LBPRGKRZSA-N 320.820 3.418 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)c2ccccc2Cl)cc1 3549400 KXJVQYVEFKJFSD-UHFFFAOYSA-N 302.761 3.017 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 4135347 NJZBHIAYYLOCJA-RQUSPXKASA-N 313.397 3.086 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1ccccc1 6255903 ANNPGPOLAVXWTI-ZBFHGGJFSA-N 318.417 3.121 0 40 DGAB O=C(NC1CCCCCC1)c1ccc(CN2CCCC2=O)cc1 22875281 IGOIWPCXQAZZJU-UHFFFAOYSA-N 314.429 3.262 0 40 DGAB CCOC(=O)[C@H]1[C@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@@H]21 100123806 NNSGKJRIAUOMNB-LUDXLNSESA-N 320.772 3.263 0 40 DGAB CC(C)Oc1ccccc1[C@@H](C)N[C@H](C(N)=O)c1ccccc1 55151835 DKNVHNJZMPUFQB-KDOFPFPSSA-N 312.413 3.351 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@@H]1CC=CCC1 55453868 OOBNKOGIIGCOMQ-OAHLLOKOSA-N 317.404 3.346 0 40 DGAB CCCn1ccnc1S[C@@H](C)c1nc2ccccc2c(=O)[nH]1 12539493 AEYXZEJXOFDLQJ-NSHDSACASA-N 314.414 3.383 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)NCCc1ccccc1 56329275 DWWQDIRWQOQKRP-UHFFFAOYSA-N 312.413 3.469 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1ccc(-n2cccn2)cc1 97159397 HKKNLGOOMQHRHR-UHFFFAOYSA-N 309.417 3.183 0 40 DGAB CN(Cc1ccc(F)c(F)c1)Cc1nc(O)c2sccc2n1 44438181 RDTZVUFQYORSQE-UHFFFAOYSA-N 321.352 3.307 0 40 DGAB CCOC(=O)/C=C/c1cc(Br)c(OC)c(OC)c1 62714893 ZOPJYVRBDPYQJR-AATRIKPKSA-N 315.163 3.043 0 40 DGAB C[C@@H](NCC(=O)Nc1ccc(F)c(F)c1F)c1ccccc1 58157830 HZGZCYNIXAIDNU-SNVBAGLBSA-N 308.303 3.393 0 40 DGAB O=C(NCC[C@@H]1CCCO1)c1ccc(C2SCCS2)cc1 23876060 SHSIKVNNZPSEEI-AWEZNQCLSA-N 323.483 3.464 0 40 DGAB O=C(O)[C@H]1C[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 37827889 DNCSHJZIKVHEGL-STQMWFEESA-N 321.423 3.059 0 40 DGAB O=C(NCc1ccccc1CO)Nc1ccc(F)cc1Cl 58343717 YVQHGFQDZRDPEE-UHFFFAOYSA-N 308.740 3.293 0 40 DGAB CC[C@H](NC(=O)Nc1cc(C)nn1C)c1ccc(OC)cc1 48234667 UFDJPJFWQHYNAX-AWEZNQCLSA-N 302.378 3.010 0 40 DGAB CC[C@@H]1Oc2ccc(O)cc2N(Cc2cccc(F)c2)C1=O 36260493 CLFOPWMXBVMDIR-HNNXBMFYSA-N 301.317 3.236 0 40 DGAB COc1ccc([C@@H](NC(=O)CN2CCC[C@H](C)C2)C(C)C)cc1 36437898 KLLWBTBMNOYGII-KXBFYZLASA-N 318.461 3.240 0 40 DGAB O=C(OC1CCCCCCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 58985160 MKKWSBRQAPVFJP-CQSZACIVSA-N 307.434 3.434 0 40 DGAB Cc1nc(C(=O)N[C@@H](C)c2ccccc2)nn1-c1ccc(F)cc1 12762317 UGGDKGTZHMSCKL-LBPRGKRZSA-N 324.359 3.206 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)CCC(C)C)c1 48333169 ZVCSXHZNCKMUKC-AWEZNQCLSA-N 304.434 3.267 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2ccc(F)cc2F)CC1 49077226 HPZXUVXJTBXJRA-UHFFFAOYSA-N 310.388 3.159 0 40 DGAB CN(CCOc1ccccc1F)CCC(=O)Nc1ccccc1 8750103 WBADQGHKZSOUOL-UHFFFAOYSA-N 316.376 3.165 0 40 DGAB Cc1nn2c(-c3ccccc3)c(-c3ccccc3)nc2[nH]c1=O 8580711 QQLYLHHIGYCBCA-UHFFFAOYSA-N 302.337 3.060 0 40 DGAB Cc1cc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)c(C)s1 5281872 IISZAXGSKZTEMV-UHFFFAOYSA-N 317.197 3.111 0 40 DGAB O=C(CCNC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 6340471 QUZCYSKBIBXJCL-UHFFFAOYSA-N 320.751 3.238 0 40 DGAB CCCc1noc(CCC(=O)N2CCC[C@H]2c2ccsc2)n1 65402273 DPAAYGGYEIBDLO-ZDUSSCGKSA-N 319.430 3.380 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3ccncc3)c2C2CC2)cc1 65624110 DFIIRGQSBKLVOU-UHFFFAOYSA-N 319.368 3.100 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H]1CCSc2ccc(F)cc21 14247435 FIZVWJIPDUHDBU-LBPRGKRZSA-N 306.362 3.397 0 40 DGAB CC(C)c1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1 6588881 HBLNBFAIWCWHEX-AWEZNQCLSA-N 318.442 3.377 0 40 DGAB CCN1CCN(c2ccc(NC(=O)c3cccs3)cc2)CC1 4739883 KWMDXXDXMIWETA-UHFFFAOYSA-N 315.442 3.142 0 40 DGAB [O-][n+]1ccccc1SCc1cc(Cl)c2c(c1)OCCCO2 6988595 BAEYXCVISUYZLS-UHFFFAOYSA-N 323.801 3.427 0 40 DGAB CN(CCC1CCN(c2ccncc2)CC1)CC(F)(F)F 92821471 ANLKWQINUMAMQQ-UHFFFAOYSA-N 301.356 3.182 0 40 DGAB O=C(COC(=O)Cc1cccc(F)c1)Nc1ccccc1Cl 7492367 QDPBWZRHWRIMBU-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB COc1ccc(CNC(=S)N(C)Cc2cccs2)cc1 7661902 KUPIGRFQEBEZOL-UHFFFAOYSA-N 306.456 3.263 0 40 DGAB O=C(NCCCn1cnc2ccccc21)c1ccc(F)c(F)c1 8136253 LVAAEBYRABEQTC-UHFFFAOYSA-N 315.323 3.135 0 40 DGAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cnn(C)c1 69350691 UYFUEZZYEQHTCV-OAHLLOKOSA-N 321.424 3.253 0 40 DGAB O=C(NCc1cccc(CO)c1)c1c[nH]cc1-c1ccc(F)cc1 96436371 ZFENBAWLEYVTTN-UHFFFAOYSA-N 324.355 3.243 0 40 DGAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)c(C)c1C 9578058 XUEJSFMURBADGK-UHFFFAOYSA-N 307.444 3.329 0 40 DGAB Cc1cccc(S(=O)(=O)CCCn2ccnc2C(C)C)c1 97379346 LAZMOLYULLZLJA-UHFFFAOYSA-N 306.431 3.179 0 40 DGAB COc1cc(NC(=O)CNc2cc(F)cc(F)c2)cc(OC)c1 9690449 JKUIXQRQWLACJL-UHFFFAOYSA-N 322.311 3.033 0 40 DGAB COc1ccc2nc(SCC(=O)N(C(C)C)C(C)C)[nH]c2c1 9748536 DWRHVKQIWRDQCY-UHFFFAOYSA-N 321.446 3.309 0 40 DGAB COCCC1(CNC(=O)Nc2cc(C3CCC3)nn2C)CCC1 97016274 YEUQWELAOVZIDS-UHFFFAOYSA-N 320.437 3.016 0 40 DGAB CCN(CC1CCN(c2ccccn2)CC1)C[C@@H]1CCCOC1 84774562 OZRQKLZRIDXEBN-SFHVURJKSA-N 317.477 3.047 0 40 DGAB COc1ccc([C@@H](CN2CCCC2)NC(=O)C2CCCC2)cc1 95456454 PFPSMSVZGJRSOF-GOSISDBHSA-N 316.445 3.139 0 40 DGAB O=C(Nc1cc(-c2ccncc2)n[nH]1)c1cccc2cc[nH]c12 95962356 ZDYULOBVJNXABL-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB Cc1ccc2cc(C(=O)N[C@H](C)C[C@H](O)c3ccco3)ccc2n1 95976794 MRPCLXUKFJWUIT-DYVFJYSZSA-N 324.380 3.378 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@@H](Cc1ccccc1)C(F)(F)F 89830083 MSDFLBDYIVNOPP-KBPBESRZSA-N 315.335 3.235 0 40 DGAB CCCCCC(=O)Nc1ccc(CCN2CCC(O)CC2)cc1 75415395 PKVHBOSZGDHHKH-UHFFFAOYSA-N 318.461 3.205 0 40 DGAB C[C@H]1CN(C(=O)NCc2ccco2)C[C@H](c2ccsc2)O1 89936971 CMMNYBYGERPHOB-SMDDNHRTSA-N 306.387 3.013 0 40 DGAB COc1ccccc1N1CC[C@H](CNc2nc(C)cc(C)n2)C1 75572987 HYXKGKYTYVFTJT-OAHLLOKOSA-N 312.417 3.040 0 40 DGAB CC(=O)Nc1nc(COc2ccc(C(C)=O)c(F)c2)cs1 75605844 IJKJXQDTGHMOON-UHFFFAOYSA-N 308.334 3.022 0 40 DGAB COc1cccc(N[C@H]2CC(=O)N(c3cccc(C)c3C)C2=O)c1 36635408 VPMRPRHLVRKZNV-INIZCTEOSA-N 324.380 3.056 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](Cc2cccc(C(=O)O)c2)C1 35571890 LGSBBCGSNLYKOI-CYBMUJFWSA-N 305.374 3.184 0 40 DGAB Cc1ccc2[nH]c3nc(SC[C@@H]4CCCO4)nnc3c2c1 35312187 UXARFVVCXQPUEP-JTQLQIEISA-N 300.387 3.086 0 40 DGAB C[C@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccs1 74856764 QUOXUGDGEZTJDM-VIFPVBQESA-N 301.820 3.441 0 40 DGAB Cc1ccc2cnn(CCCNC(=O)Cc3cccs3)c2c1 72239502 PFWFDXGRWMBWKL-UHFFFAOYSA-N 313.426 3.155 0 40 DGAB C[C@@]1(c2nc(C3CC3)no2)CCCN(C(=O)CC2CCCC2)C1 75876528 YMHKDXYJJALOKG-GOSISDBHSA-N 317.433 3.407 0 40 DGAB C[C@H]1CN(C(=O)c2cnn(-c3ccccc3F)c2)CCC1(F)F 565394535 JLGBVPFIWDEQEX-NSHDSACASA-N 323.318 3.129 0 40 DGAB COC(=O)c1ccc(CN(C)c2ncnc3ccccc23)cc1 45932977 BKEIBIAFPFAKHN-UHFFFAOYSA-N 307.353 3.053 0 40 DGAB O=S(=O)(Nc1nccs1)c1ccc2c3c(cccc13)CC2 226861331 ZRAHXKLMUBMKTD-UHFFFAOYSA-N 316.407 3.196 0 40 DGAB C[C@H](CCc1ccc(O)cc1)N[C@H]1CCO[C@@]2(CCSC2)C1 195566274 DARSEEMOAJENPX-HFTRVMKXSA-N 321.486 3.358 0 40 DGAB COCc1ccc(C(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1 40108292 UNZQZSPAQKEBAX-WMLDXEAASA-N 305.418 3.158 0 40 DGAB CCCC(=O)Nc1cc(Cl)c(NC(N)=S)cc1Cl 45891488 LEIBFPZITWEOCK-UHFFFAOYSA-N 306.218 3.388 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc3sncc3c2)cc1 190154524 SRWRKEKIPGRHHD-UHFFFAOYSA-N 320.395 3.106 0 40 DGAB COc1cc(OC)cc([C@H]2CCN(C(=O)c3cccs3)C2)c1 81639228 BQINPWYYSBWWIN-LBPRGKRZSA-N 317.410 3.395 0 40 DGAB Cn1c(=O)ccc2ccc(NC(=O)NC3CCCCCC3)cc21 576738666 RBVSJCFDJLBWRM-UHFFFAOYSA-N 313.401 3.383 0 40 DGAB c1cnc(N2CCC3(CCN(Cc4cccs4)CC3)C2)nc1 96046591 HLAABIKKYAAKPP-UHFFFAOYSA-N 314.458 3.031 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)cn1 582667277 KUHAQRIXRHXDOC-GOSISDBHSA-N 313.376 3.162 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)no1 96433672 CBFRQBJNUNAPBD-LBPRGKRZSA-N 311.345 3.051 0 40 DGAB Fc1ccccc1CN1CCC(CN[C@H]2CCSC2)CC1 96477300 WBRVCGSCRMTEAW-INIZCTEOSA-N 308.466 3.133 0 40 DGAB CCOC[C@@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96106390 IFBLKSFDZPVANI-MRXNPFEDSA-N 307.434 3.243 0 40 DGAB COc1ccccc1-c1nnc(CN[C@@H](C)c2ccc(C)o2)o1 97374039 YRKUTXVANTWIDH-LBPRGKRZSA-N 313.357 3.497 0 40 DGAB CC(C)NC[C@H]1Cn2c(-c3ccc(Cl)cc3)cnc2CO1 96296363 PJFBZTVZDXBJAQ-AWEZNQCLSA-N 305.809 3.100 0 40 DGAB biogenic,in-vitro CC(=O)Nc1ccc([C@H](C)N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)cc1 248768773 XOCGMPVDFONCHQ-FCRVUTKVSA-N 314.429 3.253 0 40 DGAB Oc1cc(CNc2ccc(C(F)(F)F)cn2)nc(C2CCC2)n1 585136928 YTRXESIPFMOTEU-UHFFFAOYSA-N 324.306 3.476 0 40 DGAB COC(CCSc1nnc2sc3ccccc3n12)OC 585118485 QMVQZAQQUVGEFU-UHFFFAOYSA-N 309.416 3.045 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 257310974 UHKJPKMCCTXJBS-NSHDSACASA-N 305.328 3.016 0 40 DGAB CC(C)Oc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CCN2)cc1 257300383 RUBRXWIBYFWSIW-INIZCTEOSA-N 320.433 3.355 0 40 DGAB COc1ccccc1CC(=O)NC(C)(C)c1nc(C)c(C)s1 76477910 SNWMMQFAXJBJAY-UHFFFAOYSA-N 318.442 3.363 0 40 DGAB CC(/C=C/c1ccc(I)cc1)=C\C(=O)O 12436862 UHNBRYDJWLCHLB-VHYPUYLQSA-N 314.122 3.335 0 40 DGAB CCCC(=O)N(Cc1cc2cc(OC)ccc2nc1O)C(C)C 13479938 QEQUOLNIRQUOFB-UHFFFAOYSA-N 316.401 3.486 0 40 DGAB COC(=O)[C@@H]1CCCC2(CCN(C(=O)OC(C)(C)C)CC2)C1 606302391 JRXBQJDDLHGXNQ-CYBMUJFWSA-N 311.422 3.367 0 40 DGAB O=C(c1ccncc1)N1CCC[C@H](n2cnc3cc(F)ccc32)C1 13266664 XYZTVVOUHHAXRW-HNNXBMFYSA-N 324.359 3.048 0 40 DGAB CC(C)[C@@H]1CC[C@]2(C)C[C@H]3[C@@H]([C@@H](O)C[C@H]3CO)[C@@](C)(O)CC=C12 252505764 MSKFOQCDNOFJAT-IGWQOOCHSA-N 322.489 3.135 0 40 DGAB biogenic,in-vitro O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)c1ccsc1 585148037 MMVSUCZUFGGFOE-OAHLLOKOSA-N 313.378 3.472 0 40 DGAB O=S(=O)(NC1(c2ccccc2)CCC1)c1ccc(Cl)nc1 30384468 IUASCPPXLNTYJA-UHFFFAOYSA-N 322.817 3.093 0 40 DGAB Cc1cc(NC(=O)CSc2nc3ccccc3s2)no1 51366 KLZDMWZPSYYOMH-UHFFFAOYSA-N 305.384 3.324 0 40 DGAB CCc1ccc(O[C@@H](CC)C(=O)NC2CCN(CC)CC2)cc1 20192678 LVUPZNCXJLIUKF-SFHVURJKSA-N 318.461 3.007 0 40 DGAB Cc1oc(C)c(C(=O)O[C@H](C)C(=O)NCC2CCCCC2)c1C 31689909 UTKUQQWWQQPFIA-CQSZACIVSA-N 321.417 3.447 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(Cc2ccn(C)c(=O)c2)C2CC2)o1 51183388 YOXXOAKGMSENNH-CXAGYDPISA-N 312.413 3.266 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)cc(C)c1 261782 AXWUQTRNKCJBDM-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB CN1CCC(OC(=O)COc2ccc(C(C)(C)C)cc2)CC1 383089 ATECQNVCCVLUKJ-UHFFFAOYSA-N 305.418 3.000 0 40 DGAB C[C@@H](NCc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCCO1 75782966 DOJYUXLIHXRZBI-CXAGYDPISA-N 319.836 3.242 0 40 DGAB O=S(=O)(N[C@@H]1C[C@H]2CC[C@@H]1C2)c1cc(Cl)ccc1Cl 1138942 NHZWBGHCVRQSOL-YGOYTEALSA-N 320.241 3.460 0 40 DGAB Cc1nnc([C@@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)o1 76046806 ZAZCAILNUVBVEE-MFKMUULPSA-N 303.410 3.058 0 40 DGAB Cc1ccc(C)c([C@H]2CN(C(=O)c3cc(C)no3)[C@H](C)CO2)c1 78877682 HOPGTOIJUPHCGG-RHSMWYFYSA-N 314.385 3.202 0 40 DGAB CC[C@@H](C)NC(=O)CSc1ncnc2sc(C)c(C)c12 3604206 YWMGTSLBKFSLGY-MRVPVSSYSA-N 309.460 3.315 0 40 DGAB Cc1sc(NC(=O)[C@@H]2CCCO2)c(C(=O)OC(C)C)c1C 2745542 HRDAKQJWVFRIQW-NSHDSACASA-N 311.403 3.048 0 40 DGAB O=c1ccc(-c2ccccc2)nn1CCOc1cccc(F)c1 52892864 RIVWDEKMDMVABH-UHFFFAOYSA-N 310.328 3.128 0 40 DGAB COc1cccc(NC(=O)COc2cccc3cccnc23)c1 6127909 QNCVTQRXGLLCBX-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB CC(=O)OCc1ccc(C(=O)Nc2ccc(F)c(F)c2F)cc1 6905652 BSCHWKBEVHZAKC-UHFFFAOYSA-N 323.270 3.419 0 40 DGAB Cc1nnc(S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)O)o1 7603562 YEBXLKZWCBGFQG-QPEQYQDCSA-N 315.354 3.386 0 40 DGAB O=C(Nc1c(-c2cccs2)nc2ncccn12)c1ccco1 574443 GAYJWTKLFXLFGW-UHFFFAOYSA-N 310.338 3.303 0 40 DGAB Oc1ccc(N2CCN(Cc3cccc4cccnc34)CC2)cc1 22134476 YIZJXAKGXQNDSM-UHFFFAOYSA-N 319.408 3.263 0 40 DGAB Cc1noc(C)c1CNCc1cc(Cl)c2c(c1)OCCO2 42201799 CZFVWFPAFDRTDS-UHFFFAOYSA-N 308.765 3.006 0 40 DGAB C[C@H]1CCc2[nH]c3ccc(C(=O)NC4=NCCS4)cc3c2C1 23027918 ORZLEICNPUICQM-JTQLQIEISA-N 313.426 3.125 0 40 DGAB O=C(c1ccccn1)N1CCC(c2nc3ccccc3o2)CC1 23534239 LZIZCWXIHMZZIC-UHFFFAOYSA-N 307.353 3.243 0 40 DGAB COc1ccc(C2=NO[C@H](Cc3ccc4c(c3)OCO4)C2)cc1 34260358 RNDPZBIHSLBNKD-OAHLLOKOSA-N 311.337 3.160 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)C2=COCCO2)cc1 24392298 HJLPQXLDDRDOIV-MRXNPFEDSA-N 317.385 3.027 0 40 DGAB COCCOCc1cccc(NC(=O)N2CCC[C@H](C)C2)c1 47589929 VSDZBQTVCRGGLS-AWEZNQCLSA-N 306.406 3.113 0 40 DGAB CCOc1ccccc1OC1CCN(C(=O)NC(C)C)CC1 55086201 TVGVCYQLPUJWEA-UHFFFAOYSA-N 306.406 3.047 0 40 DGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)c1ccc(F)cc1 47618950 KAEWGWRFTBAWFG-UHFFFAOYSA-N 322.357 3.011 0 40 DGAB CC(C)NC(=O)Nc1cc(Cl)ccc1C(=O)N1CCCC1 47787394 FBHANQBYCOUTNO-UHFFFAOYSA-N 309.797 3.106 0 40 DGAB O=C(NCC1CC1)c1cccc(NC(=O)c2cccs2)c1 24928514 JAYBRIIYRSPGBL-UHFFFAOYSA-N 300.383 3.140 0 40 DGAB Cn1cc(CCC(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)cn1 106648464 JXRLSICZMHSJEC-OWLYRPNTSA-N 315.461 3.170 0 40 DGAB O=C(c1cc(Br)cnc1Cl)N1CCCCC1 50044257 MGPXMZGZRYXYGM-UHFFFAOYSA-N 303.587 3.124 0 40 DGAB CSc1ccc(C(=O)N2CCC[C@H](CCC(=O)O)C2)cc1 43584327 NGQSULOZDVAYKQ-GFCCVEGCSA-N 307.415 3.126 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)N(C)[C@H](C)c2cccnc2)C12CCC2 107356342 NHQZZYBTUWXGTD-VNQPRFMTSA-N 317.433 3.132 0 40 DGAB C[C@H](NC(=O)N[C@@H](C)c1ccccn1)c1ccc(F)c(F)c1 26186481 YCKTUBXTIWRVDR-QWRGUYRKSA-N 305.328 3.481 0 40 DGAB Cc1cn2c(CN(C)C(=O)C3[C@@H]4CCC[C@@H]34)c(C)nc2s1 104322695 SLXMVPPQSGOATC-VXGBXAGGSA-N 303.431 3.017 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)c(F)c1 57472283 XMGHIIPHRNTJLN-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CO[C@@H]1CCCC[C@@H]1N[C@H](C)CC(=O)Nc1ccccc1C 110688418 VJVNDDABPNKQBI-HYVNUMGLSA-N 304.434 3.259 0 40 DGAB Cc1cnc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cn1 58202880 KHZAXZSHXCDELY-UHFFFAOYSA-N 309.373 3.142 0 40 DGAB C[C@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@@H](C)O1 26990071 MJGKQPHAPBYJGD-YFHYCDLPSA-N 324.218 3.098 0 40 DGAB CC(=O)N1CCC(NC(=O)c2ccc(-c3ccccc3)cc2)CC1 10736203 GVFJFSNODSNUNZ-UHFFFAOYSA-N 322.408 3.094 0 40 DGAB CCc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 11147295 NBKJVKKPOPEFTD-UHFFFAOYSA-N 319.408 3.407 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12766744 RBIFPNFVLDDIJC-UHFFFAOYSA-N 324.380 3.230 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2c(C)noc2C)cc1Cl 12757005 HSISYOMBXXSIHA-UHFFFAOYSA-N 321.764 3.084 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2cc(C)on2)cc1Cl 12893090 RLCLOIVJDKKOFV-SECBINFHSA-N 309.753 3.084 0 40 DGAB CN(C)Cc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 12995451 GNUBHQBJJWZAGK-UHFFFAOYSA-N 302.805 3.332 0 40 DGAB CCOc1ccc([C@H]2CCCN2c2cc(C)nc3ncnn23)cc1 13016523 GSEMKORVBCLZJV-MRXNPFEDSA-N 323.400 3.173 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccccc1F 13038918 FUVAFAHTUQUSFP-LBPRGKRZSA-N 302.349 3.124 0 40 DGAB CCN(CC)CC1CCN(C(=O)CCc2ccccc2)CC1 49075938 OCLOPFZAITZJSX-UHFFFAOYSA-N 302.462 3.200 0 40 DGAB CCOc1ccc(C(=O)[C@@H](C)Sc2nc(C)cc(O)n2)cc1 4034037 JDSXBAFMIVHDNS-LLVKDONJSA-N 318.398 3.253 0 40 DGAB C[C@@H](c1ccccc1Cl)N(C)C(=O)[C@H]1CC12CCNCC2 70254021 ZJXORVNBMHJCTO-GXTWGEPZSA-N 306.837 3.249 0 40 DGAB O=C(COC(=O)C1CC1)Nc1ccc(Oc2ccccc2)cc1 4144366 PAQOYLONVIDZJD-UHFFFAOYSA-N 311.337 3.371 0 40 DGAB CC(C)CNC(=O)c1nccnc1-c1nc2ccccc2s1 8735795 YJWRVNGSSVJJLV-UHFFFAOYSA-N 312.398 3.139 0 40 DGAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1cccc(F)c1 14100713 ZBWNBZWFXZWGST-LBPRGKRZSA-N 305.374 3.356 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1Cl 20139343 YHCUQLQLCDQIEX-UHFFFAOYSA-N 303.745 3.277 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)NCCN(C)c1ccccc1 24241386 ZLKBEMLKKORXTF-HNNXBMFYSA-N 314.454 3.420 0 40 DGAB Cc1cc(CSc2nc3ccccc3c3nc(C)nn23)on1 14803892 FHEBREWORIAFIS-UHFFFAOYSA-N 311.370 3.175 0 40 DGAB O=C(/C=C/c1ccc(O)cc1)NCCc1c[nH]c2ccccc12 14824027 CDMGLLBADMBULG-JXMROGBWSA-N 306.365 3.246 0 40 DGAB endogenous,in-man CC(C)C(=O)O[C@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5713029 PECWQMBQCUARDR-SECBINFHSA-N 303.280 3.232 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20143783 XGAMCOYVRKKFCY-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1sc2nc([C@@H](C)Sc3nncs3)[nH]c(=O)c2c1C 4938658 JVTBBLVZVNEUBL-SSDOTTSWSA-N 324.456 3.306 0 40 DGAB C[C@H](NC(=O)CSC1=NCCS1)c1cc2ccccc2o1 7092445 MQYXCQZZZDSHOC-JTQLQIEISA-N 320.439 3.446 0 40 DGAB Cc1ccc(Oc2nn3c(C(F)(F)F)nnc3c(C)c2C)cn1 92622966 MAPJGFZRNMAOCN-UHFFFAOYSA-N 323.278 3.256 0 40 DGAB COc1ccc(C)cc1CN1C(=O)NC2(CCC(C)CC2)C1=O 7825253 VTRJFOPVTXNAGI-UHFFFAOYSA-N 316.401 3.004 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccc[nH]2)c(OC)c1 71037254 OGUPVMFNPRSXET-OAHLLOKOSA-N 300.358 3.009 0 40 DGAB COc1ncnc2c1sc1nc(N3CCCC3)cc(C)c12 71282648 GYSRZHIIAKASBY-UHFFFAOYSA-N 300.387 3.157 0 40 DGAB c1ccc2c(OCCN3CCCN4CCC[C@@H]4C3)cccc2c1 69369570 ZBJILUDGDOUFEK-GOSISDBHSA-N 310.441 3.389 0 40 DGAB CCCOCc1nn(CC(C)C)cc1I 408716705 PYXCNVLWFYESAZ-UHFFFAOYSA-N 322.190 3.070 0 40 DGAB Cc1c(NC(=O)N[C@@H](C)[C@H]2CCCO2)cccc1OC(F)F 71854983 WSCPRMZPYZAUNV-GXFFZTMASA-N 314.332 3.285 0 40 DGAB Cc1ccc(F)c(C(=O)N(C)Cc2cc(C(=O)O)c(C)o2)c1 97018430 LDGHLPKMWNYAJU-UHFFFAOYSA-N 305.305 3.006 0 40 DGAB COC(=O)c1ccc(CNC(C)(C)c2ccccc2OC)o1 72271020 MQFKTKQRASRPNJ-UHFFFAOYSA-N 303.358 3.100 0 40 DGAB O=C(CC1CCSCC1)Nc1c(F)cccc1-n1cccn1 95416914 TZTMDCUXBSGVHT-UHFFFAOYSA-N 319.405 3.483 0 40 DGAB O[C@@H](Cn1cc(Cl)cn1)c1cccc(Br)c1 95974752 BBYRCAANHGNEEC-NSHDSACASA-N 301.571 3.033 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 95954888 ZPMAOYROHQKOOD-JKSUJKDBSA-N 318.380 3.318 0 40 DGAB CCc1nc(CS[C@@H](C)C(=O)Nc2cc(C)no2)cs1 89289965 SUFRTZSUMFXKOD-VIFPVBQESA-N 311.432 3.262 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)[C@H]3C[C@@H]3c3ccco3)c2)cn1 89756563 UVTQIRFANJNXRA-HOTGVXAUSA-N 322.368 3.499 0 40 DGAB O=C(N[C@@H](c1cccc(Cl)c1)c1ccccn1)c1ccon1 89878982 YMCXCGJNEIDBSY-HNNXBMFYSA-N 313.744 3.242 0 40 DGAB O=C(c1ccccc1C(F)(F)F)N1CCC[C@@H](c2ccn[nH]2)C1 89809670 QJBPHJBSAHBSRE-LLVKDONJSA-N 323.318 3.448 0 40 DGAB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1F 32752001 JVVBUMMGADPTET-SDNWHVSQSA-N 321.311 3.274 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c(C)c1 36635431 GUINJBHMPZHLNM-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1cccc(OCC(=O)n2c(C)c(CO)c3ccccc32)c1 216720662 GCPDKUYAKFWIML-UHFFFAOYSA-N 309.365 3.470 0 40 DGAB O=C(NCCCNc1ccccc1)c1cncn1-c1ccccc1 75652860 IJGZLRMVVCGDKS-UHFFFAOYSA-N 320.396 3.104 0 40 DGAB CC(C)c1nccn1CCC(=O)N1CCC[C@H]1c1cccn1C 72832023 KHSWSAUCAQFYRI-INIZCTEOSA-N 314.433 3.099 0 40 DGAB Cc1nc(N2CCOCC2)ccc1[C@H]1CCCN1CC(C)C 72219629 HZWYXXVMIJRDQH-QGZVFWFLSA-N 303.450 3.020 0 40 DGAB CCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)cc1 36635687 ZRTFCDGBNWETCG-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB C[C@@H](c1ccccc1F)[S@](=O)Cc1nc(-c2ccco2)no1 78556224 CNSWJAVSMVPADJ-MGUXCZDKSA-N 320.345 3.479 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccccc2F)C1=O 36635554 YZEQMNYHBZWGSM-HNNXBMFYSA-N 312.344 3.132 0 40 DGAB Cc1ccccc1OCCNC(=O)COc1ccc(Cl)cc1 223366509 BENHYJIMSXYEJJ-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB COc1ccc(Cn2nccc2NC(=O)C[C@H]2C=CCC2)cc1 40090644 HWGKSBAKWXENNQ-AWEZNQCLSA-N 311.385 3.235 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(O[C@H]2CCSC2)nc1 225713490 LCSDYAHICVTURX-LBPRGKRZSA-N 318.373 3.357 0 40 DGAB O=C(COc1ccc(F)cc1)NCCSC1CCCCC1 222780663 GUHVIMVXLDCKFZ-UHFFFAOYSA-N 311.422 3.387 0 40 DGAB CCc1ccc(C[C@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225043555 GIWZMXYAVKPTTF-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB NC(=O)N1CCCN(Cc2csc3c(Cl)cccc23)CC1 84963556 XIECCJVYACSXQE-UHFFFAOYSA-N 323.849 3.141 0 40 DGAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1cccc(C)c1 199524771 MLOIYQJOHBDMJU-ZDUSSCGKSA-N 300.291 3.475 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](C(N)=S)C[C@H]1c1ccccc1 95748822 YPPICKOBKKEXLU-STQMWFEESA-N 306.431 3.271 0 40 DGAB Cc1nc(S(=O)(=O)N2CCCCC2)c(-c2ccccc2)s1 96345944 DYINZFDZRQUAJJ-UHFFFAOYSA-N 322.455 3.293 0 40 DGAB CC[C@@H](C)OCC(=O)N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 97229535 PFZHQNFKTXDESN-ZJUUUORDSA-N 309.797 3.209 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CNCc1cccc(CS(C)(=O)=O)c1 97098600 XZLQSDKYVUYQRP-QAPCUYQASA-N 321.486 3.313 0 40 DGAB COC(C)(C)C[C@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C 96440622 PUSFECARALSWPC-ZFWWWQNUSA-N 307.438 3.282 0 40 DGAB CC(C)[C@H](NC(=O)N1CCS[C@@H](C)[C@H]1C)c1ccncc1 245358604 ZSUPHJNTDZEIKH-IPYPFGDCSA-N 307.463 3.314 0 40 DGAB Cc1cc2cncn2c([C@H]2CCCCN2C(=O)c2ccccc2)n1 257319977 VUVFZNDYXWVHPU-QGZVFWFLSA-N 320.396 3.405 0 40 DGAB Fc1cccnc1CN1Cc2nccn2C[C@@H]1c1ccccc1 257333425 YBLYIFVDRGAGKX-QGZVFWFLSA-N 308.360 3.174 0 40 DGAB CN(C)C(=O)C(F)(F)Sc1cccc(Br)c1 256054097 UXTUACLYAKARSF-UHFFFAOYSA-N 310.163 3.222 0 40 DGAB Cc1cc2cn[nH]c2cc1NC(=O)[C@@H]1CCCc2cccnc21 252498707 RJACMYDUWAPMMB-CQSZACIVSA-N 306.369 3.325 0 40 DGAB Cc1ccccc1[C@H]([C@@H](C)Nc1cccc(C(=O)O)n1)N(C)C 263405766 KNLVEBBQDYHYKW-DYVFJYSZSA-N 313.401 3.192 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccccc1C(F)(F)F 298146801 RSOAVTMNZWKVSA-UHFFFAOYSA-N 316.323 3.340 0 40 DGAB C[C@@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1 48115875 FLABGLMLQDFVNX-CQSZACIVSA-N 324.384 3.085 0 40 DGAB Cc1ccc(C)c(OC2CCN(C(=O)c3cc(C)on3)CC2)c1 56999751 KFIUPZRSIVNOHY-UHFFFAOYSA-N 314.385 3.283 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc[nH]c1=O 64089933 HGCIBQUGQNPETJ-UHFFFAOYSA-N 311.366 3.114 0 40 DGAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2Cc2csc(C)n2)cc1 1615144962 YJICEWASDPFEAO-ROUUACIJSA-N 316.470 3.328 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1c(F)cccc1F 5440476 NBUDXJDATOERGD-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB CCCNC(=O)Nc1sc2c(c1C(=O)OCC)CCCC2 5951904 DWEPCRYGTWDMEZ-UHFFFAOYSA-N 310.419 3.335 0 40 DGAB CC(=O)N[C@H](C(=O)N[C@@H](C)c1cccc2ccccc12)C(C)C 13006318 NSHWLGNHWDOUCF-UGSOOPFHSA-N 312.413 3.178 0 40 DGAB Cc1cc(C)cc(NC(=O)COc2cc(C)ccc2C(=O)O)c1 13084432 DMDLEOHWMBJHLD-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB O=C(NCCCc1ccccc1)Nc1c[nH]c2ccccc2c1=O 13565869 DICUQLWXELZGLI-UHFFFAOYSA-N 321.380 3.282 0 40 DGAB CCOc1ccc(Nc2c3c(nc4ncnn24)CCCC3)cc1 15786721 XQQOSZFUYNCGPX-UHFFFAOYSA-N 309.373 3.145 0 40 DGAB O=[N+]([O-])/C=C/c1cc(Br)c(O)c(Br)c1 1561022 CTJGBTQBMJYEIT-OWOJBTEDSA-N 322.940 3.165 0 40 DGAB COc1cccc2sc(N3C[C@@H]4CCCC[C@@]4(CO)C3)nc12 1888870164 LQQXOABYSWODJF-SJCJKPOMSA-N 318.442 3.294 0 40 DGAB Fc1ccc(CN2CCC(c3nc(C4CC4)no3)CC2)cc1 1848501617 QEDQGABXUJOLOF-UHFFFAOYSA-N 301.365 3.466 0 40 DGAB COc1ccccc1OCCNC(=O)C[C@@H](C)c1ccccc1 31242540 OZSFKMOQFPDZNT-OAHLLOKOSA-N 313.397 3.384 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)no1 83055 PKJIZGODRKSTLM-UHFFFAOYSA-N 311.366 3.457 0 40 DGAB Cn1/c(=N/C(=O)c2ccccc2)sc2cc(F)cc(F)c21 100909150 YRWRFWANIMIEIH-SDXDJHTJSA-N 304.321 3.259 0 40 DGAB CN(C)[C@@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 575620943 NDEHOCDMZWGDOQ-SCOAYWHSSA-N 324.380 3.458 0 40 DGAB O=C(Cc1cccc2ccccc12)N[C@@H]1CCC12CCOCC2 585409702 WHZKREHSLJIIKT-GOSISDBHSA-N 309.409 3.458 0 40 DGAB c1ccc2c(c1)OCC[C@@H]2NCc1ccc(-n2cccn2)cc1 30545276 DCUDLZWUKHTEAJ-SFHVURJKSA-N 305.381 3.486 0 40 DGAB CC[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)CCO1 30853948 LDYFPMKGEJOCPN-JTQLQIEISA-N 308.428 3.123 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NC[C@@H](c1ccco1)N(C)C 40487710 NDIGOTOELCRVHF-OLZOCXBDSA-N 321.446 3.346 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)ccc3nsnc23)cc1 226689 JYCWPLSTBBIBFU-UHFFFAOYSA-N 319.411 3.109 0 40 DGAB COc1ccc([C@H]2CC(=O)c3sc(NC(C)=O)nc3C2)cc1 181438 HTNFNYKRUKYNPO-LLVKDONJSA-N 316.382 3.023 0 40 DGAB Nn1c(SCc2ccc(F)cc2)nnc1-c1ccc(F)cc1 530894 XIZWKFZZXRAGQG-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB O=c1c2ccccc2nnn1COc1cc(Cl)ccc1Cl 2623995 CTEYIIZSGMZGPL-UHFFFAOYSA-N 322.151 3.135 0 40 DGAB CSCc1cccc(NC(=O)NC[C@@H](C)C[C@@H](C)O)c1C 77714500 QLXPWQRPUXXZCY-NWDGAFQWSA-N 310.463 3.387 0 40 DGAB CCN(C)CCNC(=O)c1ccc(-c2ccc(C)cc2)cc1F 78678887 WKOMCXMWPAHDJB-UHFFFAOYSA-N 314.404 3.483 0 40 DGAB O=C(OCCOc1ccccc1F)c1ncoc1-c1ccco1 79350260 UFJXCXQSSIOJGT-UHFFFAOYSA-N 317.272 3.310 0 40 DGAB Fc1ccccc1OCCSc1nnnn1C1CCCCC1 4904235 MCQMEFKGDTYDMN-UHFFFAOYSA-N 322.409 3.489 0 40 DGAB O=C(O)c1ccc(COc2ccc(Cl)cc2C(=O)O)cc1 7604089 BUNZDNLCAHRSGL-UHFFFAOYSA-N 306.701 3.315 0 40 DGAB CCOc1ccccc1NC(=O)Cc1ccc(OC)c(F)c1 7920433 ALSSYYUNZPCTOM-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1 531155 MORZDRFEIZLELA-UHFFFAOYSA-N 300.362 3.090 0 40 DGAB CC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 8622595 SCKVBFYHMGNGQY-OKAVUVSYSA-N 320.429 3.476 0 40 DGAB C[C@H](NC(=O)N1CCC[C@H]1CN1CCCC1)c1ccc(F)cc1 69386100 TUHBCZHAOBBSJB-YOEHRIQHSA-N 319.424 3.157 0 40 DGAB CCCn1nnc2sc3c(c2c1=O)CC[C@@H](C(C)(C)C)C3 1321083 KRRGSTKFWHRMLJ-SNVBAGLBSA-N 305.447 3.414 0 40 DGAB O=C(Nc1ccnc(-c2cccnc2)n1)c1ccccc1Cl 1390000 VZQCJWKBDGIUCN-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB CCONC(=O)c1csc(COc2ccc(Cl)cc2)n1 24924555 DNDFHOBKLHPESV-UHFFFAOYSA-N 312.778 3.057 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)c1cc(Br)c[nH]1 35179641 ILJUOWGNXCTXPH-UHFFFAOYSA-N 311.154 3.189 0 40 DGAB O=C(O)[C@@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 35302336 CATKDORIZUSJMC-ZDUSSCGKSA-N 306.749 3.044 0 40 DGAB CC(C)c1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)nn1C(C)(C)C 44254755 XUDWHWOZEUSMID-CHWSQXEVSA-N 307.438 3.011 0 40 DGAB O=C(Nn1cnc2ccccc21)c1cccc(Br)c1 12604312 DUZIHOGJGBHXLA-UHFFFAOYSA-N 316.158 3.183 0 40 DGAB CCn1cc(CN(C)C(=O)Nc2cc(Cl)ccc2OC)cn1 28222078 TZBREMIOSKVDKI-UHFFFAOYSA-N 322.796 3.229 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)no1 44633719 JZURHHIWDZAHJW-GOSISDBHSA-N 310.397 3.378 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)O)[C@@H]1c1ccccc1 66354360 ORQZQOCBEQAYBJ-KBPBESRZSA-N 305.374 3.459 0 40 DGAB c1cc2c(cc1CSc1nnc(NC3CC3)s1)OCO2 10028050 DHKUZBBSSXRIDN-UHFFFAOYSA-N 307.400 3.133 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2cccc(Cl)c2Cl)n1 58246270 NANZXGVDPNNZGB-LURJTMIESA-N 300.145 3.176 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccccc2C)cc1 20483076 OZUGMADHMAUJDQ-UHFFFAOYSA-N 303.427 3.265 0 40 DGAB O=C(CSCc1ccccc1Cl)Nc1ncccc1O 21901841 SRBCKVBLPHJKGU-UHFFFAOYSA-N 308.790 3.313 0 40 DGAB COc1ccc(CNC(=O)c2cc(=O)c3cccc(C)c3o2)cc1 27995025 WICYJNMNLIYUSZ-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@@H](C)c1ccncc1 45116706 UWJMBIMRCRARMJ-RYUDHWBXSA-N 304.777 3.380 0 40 DGAB C[C@H](NC(=O)NC[C@H]1Cc2ccccc2O1)c1cccs1 28405235 MMCASJCFNKXJHF-WCQYABFASA-N 302.399 3.112 0 40 DGAB Cc1ccc(S(=O)(=O)c2ccc(C(F)(F)F)cc2N)cc1 2505793 OQJQCVLINMOJDU-UHFFFAOYSA-N 315.316 3.429 0 40 DGAB Cc1cc(OCCCC(=O)Nc2ccn(C)n2)ccc1Cl 12925143 FXGYLTFIZMHEAU-UHFFFAOYSA-N 307.781 3.180 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4O3)sc2C1 13011036 DJSMJQIFBNXWRR-IINYFYTJSA-N 314.410 3.210 0 40 DGAB Cn1ccnc1SCC(=O)c1ccccc1Br 13117191 SRCYTGJBHDMYOS-UHFFFAOYSA-N 311.204 3.158 0 40 DGAB CCCOc1ccccc1OCC(=O)NCc1ccccc1F 6260624 MEVNEAIZEUGPMM-UHFFFAOYSA-N 317.360 3.310 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 26754312 URGZXSSADFBNAF-CABCVRRESA-N 313.397 3.382 0 40 DGAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1cccnc1 4414344 SLJCKXUOVIADNP-UHFFFAOYSA-N 318.789 3.280 0 40 DGAB O=C(O)[C@H]1CS[C@@H](c2ccc(OCc3ccccc3)cc2)N1 4553693 QLDGBUNDYTVRIZ-CVEARBPZSA-N 315.394 3.054 0 40 DGAB c1csc(-c2nnn(Cc3ncc(-c4cccs4)o3)n2)c1 67428732 VNCJCQUIPRNDKM-UHFFFAOYSA-N 315.383 3.166 0 40 DGAB COC(=O)c1ccc(COC(=O)c2c[nH]c3ccccc23)cc1 7507842 BEKBONBVLFRSTN-UHFFFAOYSA-N 309.321 3.312 0 40 DGAB CCc1ccc([C@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 90591998 KEBNSYZITHNRKC-CMPLNLGQSA-N 318.339 3.046 0 40 DGAB C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccs1 90955317 SFZKGXDZSSASOM-GXTWGEPZSA-N 304.415 3.162 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)c2ccnc(Cl)c2)no1 96001110 GLSIDYDLJFLTQL-GFCCVEGCSA-N 320.780 3.184 0 40 DGAB COc1cccc(CN2CCC[C@H](N3CCCC3)CC2)c1OC 93563921 GMNJVVRMSPSEDT-KRWDZBQOSA-N 318.461 3.154 0 40 DGAB CC[C@H](C(=O)Nc1ccccc1Cl)n1c(C)cc(C)nc1=O 19794150 GPEUFAZMIYKCLC-CQSZACIVSA-N 319.792 3.103 0 40 DGAB CC[C@](C)(NCC(=O)NCc1sccc1C)c1nccs1 72684211 FKXOKEOFUXJNBL-HNNXBMFYSA-N 323.487 3.044 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NCCSc2ccc(C)cc2)c1 9889129 OFIXFGYYYRRNBE-UHFFFAOYSA-N 302.399 3.048 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)C[C@@H](C)c1c(C)n[nH]c1C 97022749 QUYYHOCTRYKSTL-VXGBXAGGSA-N 315.417 3.406 0 40 DGAB Cc1nc(C[S@](=O)Cc2ccc(OC(F)F)cc2)oc1C 97083612 AVMCYVHKESKMPU-NRFANRHFSA-N 315.341 3.342 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72282214 TUIBYCPXJVQQQD-CYBMUJFWSA-N 322.474 3.371 0 40 DGAB C[C@@H](NC(=O)c1cn2cccnc2n1)C12CC3CC(CC(C3)C1)C2 84633309 ANJMJMZYBMFIOO-XUXNNNHQSA-N 324.428 3.064 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CCC[C@H]2c2ccncc2)n1 95437460 ABOHJARQVOXPNU-INIZCTEOSA-N 311.385 3.241 0 40 DGAB CC(=O)c1ccccc1C(=O)NCc1cccc(-n2ccnc2)c1 73733684 LEOYWCOYLIVQJF-UHFFFAOYSA-N 319.364 3.005 0 40 DGAB CN(CC1CCC1)C(=O)NCC1(c2ccccc2)CCOCC1 89340242 LCCVXMYTWBGKAS-UHFFFAOYSA-N 316.445 3.176 0 40 DGAB COc1cc(NC(=O)[C@H](C)Oc2ccccc2F)cc(OC)c1 24565237 ARHBFOPWCKEKSW-NSHDSACASA-N 319.332 3.249 0 40 DGAB O=C(NC(C1CC1)C1CC1)C1(c2ccc(F)cc2)CCOCC1 89783132 IFYGSOZWCLPBPQ-UHFFFAOYSA-N 317.404 3.179 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccc(OC)c(C)c2)C1=O 409235916 DAOISHYWFARFJK-GXDHUFHOSA-N 321.398 3.076 0 40 DGAB C[C@H]1CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C[C@H](C)O1 35047602 OIELKWRUCPJWBR-GMOBBJLQSA-N 306.233 3.213 0 40 DGAB CCc1cc(C(=O)N2CCCC[C@H]2CC)c2c(C)noc2n1 36621670 DUMJOPOUGPKURC-CYBMUJFWSA-N 301.390 3.498 0 40 DGAB Cc1ccnc(NC2CC2)c1NC(=O)c1cccnc1Cl 39156601 YWDLIQIGEUFYRG-UHFFFAOYSA-N 302.765 3.265 0 40 DGAB in-vitro Cc1nc(N)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218556 OIZQJWBMLJKTAY-MRXNPFEDSA-N 311.385 3.446 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](OCc2cnc(Cl)s2)C1 72203543 KWKKTUFKBVKDLB-SECBINFHSA-N 318.826 3.323 0 40 DGAB CSC[C@@H](CCO)NC(=O)Nc1c(C)cccc1C(C)C 77659949 XUXAINZEGPELRS-CYBMUJFWSA-N 310.463 3.354 0 40 DGAB O=C(NC[C@H](O)Cc1ccccc1)c1cccc2ccccc12 70639227 GZHSGWYNPTVZQU-QGZVFWFLSA-N 305.377 3.173 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(C)c1 32585442 LZPJVEGQHIZGDE-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB Cn1nc(C(=O)NCc2ccc(F)cc2Cl)c2ccccc21 72331723 JGVSVDYPGZOEHU-UHFFFAOYSA-N 317.751 3.296 0 40 DGAB CN(C)c1ccccc1NC(=O)N[C@H](CCO)c1cccs1 77674752 OOQWTZJQJVGMKM-CYBMUJFWSA-N 319.430 3.059 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@H](c3ccccc3)C2)cc1 565249679 FPNDFCXQEABXAA-KRWDZBQOSA-N 309.365 3.405 0 40 DGAB Cc1cc(CCNC(=O)Nc2cccc(C(F)(F)F)c2)on1 75161617 IEVGQWGQJIFWQR-UHFFFAOYSA-N 313.279 3.366 0 40 DGAB COc1cc2c(cc1OC)CN(Cc1sc(C)nc1C)CC2 172730883 FVDUXEDQALAPOA-UHFFFAOYSA-N 318.442 3.335 0 40 DGAB O=C(Cc1cccc(C2CC2)c1)NCc1ccc2nc(O)[nH]c2c1 563253785 BGGORUCEPZJTNF-UHFFFAOYSA-N 321.380 3.005 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 138684891 CCHXFRAQAFGXOH-KBAYOESNSA-N 309.413 3.158 0 40 DGAB CCS[C@H](C)c1noc(CN[C@H]2CC(C)(C)OC2(C)C)n1 132591697 ANZXKBPIQBPETR-MNOVXSKESA-N 313.467 3.319 0 40 DGAB C[C@@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 44716293 MXWVGMCCSKTUQA-HOCLYGCPSA-N 308.381 3.235 0 40 DGAB C[C@@H]1CCCC[C@H]1CNCc1ccc(CS(C)(=O)=O)cc1 195559840 KOZGYRYCSYHXLC-PBHICJAKSA-N 309.475 3.147 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875089 RKBCNPQNBCOYKB-WBMJQRKESA-N 315.417 3.279 0 40 DGAB O=C(Cc1cncc(O)c1)N1CCC[C@H]1c1cccc(Cl)c1 574650511 BOJKICFBBKMXCR-INIZCTEOSA-N 316.788 3.347 0 40 DGAB CCOc1ccc(C[C@@H](Oc2ccccc2OC)C(=O)O)cc1 225107533 XYUWSFYEHLIWEH-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB COc1ccc(C(=O)CCC(=O)Nc2ccc(F)cc2)cc1 49907064 AZPNJTMDLFZUEX-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB CC(C)(C)OC(=O)[C@H](N)Cc1cccc(F)c1C(F)(F)F 199831700 WGMCWXSVOQYLPY-SNVBAGLBSA-N 307.287 3.056 0 40 DGAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccccc1Br 95095931 ZBYLJENHRNKREN-XCBNKYQSSA-N 311.097 3.468 0 40 DGAB CN(C)[C@@H]1CCO[C@]2(CCN(Cc3cccc(Cl)c3)C2)C1 96205912 WWILGHLDWMESNJ-IAGOWNOFSA-N 308.853 3.025 0 40 DGAB c1csc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)n1 96057907 UJEQAIRMHFFJOV-ZMSDIMECSA-N 322.474 3.082 0 40 DGAB CN(CCc1ccccn1)C(=O)/C=C/c1cn(C)c2ccccc12 96430747 GTRHYUVPXHAMCR-ZHACJKMWSA-N 319.408 3.288 0 40 DGAB CCOC(=O)C(Cc1ccc(Cl)c(Cl)c1)C(=O)OCC 93197377 GIECYOGXPJBFJZ-UHFFFAOYSA-N 319.184 3.278 0 40 DGAB CC[C@H](C)c1cc(C(=O)Nc2ccc(-c3nnco3)cc2)on1 96422284 RKXUCPQMSYIWLG-JTQLQIEISA-N 312.329 3.490 0 40 DGAB CCOC(=O)COc1ccc2occ(C(=O)c3ccco3)c2c1 96184064 KXULVCWXANBGJG-UHFFFAOYSA-N 314.293 3.199 0 40 DGAB Cc1cc(C)c2c(c1)-n1c(nc3cc(C)cc(C)c3c1=O)C2=O 255187821 GYQXMZADIQHTCK-UHFFFAOYSA-N 304.349 3.164 0 40 DGAB CNC(=O)[C@@H]1CCCC[C@@H]1N[C@H](c1ccccc1)c1ccccn1 252584938 DXCXTBREVZEQFX-ZIFCJYIRSA-N 323.440 3.065 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@H](Cc2ccn[nH]2)C1 257207903 BJVQMPLOIBURSX-CQSZACIVSA-N 320.396 3.053 0 40 DGAB CC(C)Oc1ccc(NC(=O)N2C[C@H](C)O[C@H](C)C2)c(F)c1 52268026 RIBLLNUYFQTYDI-TXEJJXNPSA-N 310.369 3.254 0 40 DGAB Cn1c([C@H]2CCN(C(=O)OC(C)(C)C)C2)nc2ccccc21 168583324 ZVYDFLIZTKFBGG-LBPRGKRZSA-N 301.390 3.298 0 40 DGAB CCCCn1nc(-c2ccc(C)c(C)c2)cc(C(=O)O)c1=O 98117087 SZMJGLIGIFMQBG-UHFFFAOYSA-N 300.358 3.025 0 40 DGAB Fc1cc(Br)cc(NCc2noc(C3CC3)n2)c1 95409889 MSBHERHLRQQAMQ-UHFFFAOYSA-N 312.142 3.461 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(Br)cc2)cn1 5062393 DYCMWFHJCUCHKE-UHFFFAOYSA-N 321.174 3.034 0 40 DGAB O=C(O)C[C@@H](CNC(=O)OCc1ccccc1)c1ccccc1 5603319 HKJTUNQDTQFKQF-INIZCTEOSA-N 313.353 3.171 0 40 DGAB O=C(c1ccccc1F)N1CCC(n2cnc3cccnc32)CC1 12117883 RECYHXXHGVJYCG-UHFFFAOYSA-N 324.359 3.048 0 40 DGAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2cccc(Cl)c2)c1 13084448 XOUSQUANALFWIV-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)Cc2ccccc2)c1 13649831 DTFYRHBZRZKZKU-UHFFFAOYSA-N 303.427 3.047 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(OC)cc2)c(C)c1 13671487 BYRVVNHAPGFIIF-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)ccc2C)cc1 13710382 SCDVDBUGFASOTF-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB Fc1ccccc1CNC(=S)Nc1ccc2c(c1)OCO2 13937080 GJBBOBLFXRIRTR-UHFFFAOYSA-N 304.346 3.041 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 17053394 VVTYZBMMOYMALJ-UFRBAHOGSA-N 315.413 3.173 0 40 DGAB COc1cccc(NC(=O)c2cccc(N3CCCC3=O)c2)c1 18076939 ZZKXCKLKAXHQTJ-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB CCn1cc(-c2cc(O)n3ncc(-c4ccc(C)cc4)c3n2)cn1 19525128 CVZSAPQWSPVYSB-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB COCCCN(Cc1ccc(F)c(F)c1)Cc1ccccn1 19593260 LGQUCOQCGZOULF-UHFFFAOYSA-N 306.356 3.399 0 40 DGAB O=C1NC[C@@]2(CCCCCCOc3ccccc31)CCCNC2 643567137 SXJAEPCKVSLVIS-IBGZPJMESA-N 316.445 3.129 0 40 DGAB CCn1c(CNC(=O)CCc2ccsc2)nc2ccccc21 9364470 PFPRIUNJUBQXNA-UHFFFAOYSA-N 313.426 3.367 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccccc3C)sc2C1 23802559 ZWUDTFZWJADPBR-UHFFFAOYSA-N 301.415 3.082 0 40 DGAB CCN(CCCNc1nn2cc(C)nc2s1)c1ccccc1 26696753 TWHQHBJEPJPTHZ-UHFFFAOYSA-N 315.446 3.428 0 40 DGAB N[C@@H](CC(=O)N(Cc1cccs1)C1CC1)c1ccccc1 37806386 QMBSFYFUSGCJQA-INIZCTEOSA-N 300.427 3.329 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCCn1ccc2cccnc21 206659879 XIOBFLUXPPDFGF-HNNXBMFYSA-N 323.396 3.010 0 40 DGAB Cc1ccc(/C=C/[C@@]23NC(=O)CN2c2ccccc2C3(C)C)o1 3999935 HJXJNLYNLOHGPE-GNISGLHKSA-N 308.381 3.225 0 40 DGAB biogenic CN1CCN(C(=O)c2cccc3cnccc23)c2ccccc21 73092995 VLTWAQOZVAVBJN-UHFFFAOYSA-N 303.365 3.331 0 40 DGAB CC(C)CC[C@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 40104354 HKUYVAAUZLYIDC-LBPRGKRZSA-N 312.435 3.036 0 40 DGAB O=C1CCCN1c1cccc(Oc2nccc(C(F)(F)F)n2)c1 40512393 AUMYNMFCPQVLTQ-UHFFFAOYSA-N 323.274 3.415 0 40 DGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1c1ccc(OC(F)(F)F)cc1 101340630 XNVOFGMGIUDPPE-RYUDHWBXSA-N 311.259 3.041 0 40 DGAB COCc1nn2c(-c3ccc(C(F)(F)F)cc3)nnc2s1 385265 KTZVKOVYAFXUBF-UHFFFAOYSA-N 314.292 3.018 0 40 DGAB Cc1c(C(=O)Nc2ccccc2N(C)C)[nH]c2c1C(=O)CCC2 46385929 BIGCEIMNPIDLOS-UHFFFAOYSA-N 311.385 3.160 0 40 DGAB CCOc1ccccc1CN1CCC(C(=O)N[C@H](C)CC)CC1 299618 OUSDROFTWHVKMI-OAHLLOKOSA-N 318.461 3.212 0 40 DGAB O=C(CN1CCCc2c(F)cc(F)cc21)NCc1cccs1 29918640 JHUNEKAGTFLDCM-UHFFFAOYSA-N 322.380 3.095 0 40 DGAB CCc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 32859645 WWJIGXDEDXUZPC-UHFFFAOYSA-N 303.402 3.245 0 40 DGAB COc1ccc(NC(=O)[C@]23CC[C@](C)(C(=O)C2)C3(C)C)cc1 460401 VPQQKWWSZVFVHQ-MSOLQXFVSA-N 301.386 3.419 0 40 DGAB O=C(Nc1cccc(C2SCCS2)c1)N1CCC[C@H](O)C1 76086302 BCXXEAUUOBHTJG-ZDUSSCGKSA-N 324.471 3.154 0 40 DGAB COc1ccc(-c2cc(=O)c3ccccc3o2)c(OC)c1OC 1692307 OELSHBWAOILUHQ-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB CCOC(=O)c1nnc2ccccc2c1N1C[C@H](C)C[C@@H](C)C1 78824755 RCVGAXKPKIJZHV-CHWSQXEVSA-N 313.401 3.289 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)C1(c2ccccc2)CCC1 79019731 QHVHRIZLJGYXGF-HNNXBMFYSA-N 301.411 3.020 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)c1ccccc1O 41396040 ZPNABVWFCXRYNU-UHFFFAOYSA-N 310.147 3.020 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccccc2OC2CCC2)c1 71911009 QLHQJBZDSIKTEG-UHFFFAOYSA-N 324.380 3.230 0 40 DGAB CCSc1nc2sc3c(c2c2nncn12)CC(C)(C)OC3 501146 NTXNWFLKNRVPIU-UHFFFAOYSA-N 320.443 3.302 0 40 DGAB COc1ccccc1N1C[C@H](c2nc3ccccc3n2C)CC1=O 532528 PBQBDKWXJPORAS-CYBMUJFWSA-N 321.380 3.102 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)Nc1cccc(C)c1 8750097 XFTBIUAUSILGEX-AWEZNQCLSA-N 306.365 3.449 0 40 DGAB CCn1c(C)c/c(=N/C(=O)c2ccccc2O)n1-c1ccccc1 104269196 VNCOWZFHARHZND-ZZEZOPTASA-N 321.380 3.054 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)c1cnn(Cc2ccccc2)c1 71911523 HAOABPMZAXGPOQ-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB COC(=O)C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(C)cc1 24489451 FMUOFTMOFHAFCZ-JKSUJKDBSA-N 301.386 3.072 0 40 DGAB CCOc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OCC 20244042 UWSOVUOHICQGDI-QGZVFWFLSA-N 312.369 3.338 0 40 DGAB CC(C)OC(=O)c1nnc2sc(-c3ccc(Cl)cc3)nn12 57339009 QETOQCZNXMVQLK-UHFFFAOYSA-N 322.777 3.071 0 40 DGAB COc1ccc(C)cc1C(=O)Nc1ccc2c(c1)OCCCO2 24859426 GYUAXWDKKNYPPF-UHFFFAOYSA-N 313.353 3.417 0 40 DGAB O=c1[nH]c(CN2CCCC2)nc2scc(-c3ccccc3)c12 3288112 YJXZXYUFLYOFSS-UHFFFAOYSA-N 311.410 3.247 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)/C=C/c2ccco2)c1 25287572 BBVLSIJIAZUTCT-CMDGGOBGSA-N 308.341 3.210 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1cccc(C)c1C 3235537 RRZSTPDDBMBXKF-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB C[C@@H](COc1ccccc1)NC(=O)CCc1ccccc1F 55731580 HUJCFAFJMJETKL-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB CN(C)c1ncccc1C(=O)N1CCCc2c(F)cc(F)cc21 59896151 JOCGZKRBFKCHSY-UHFFFAOYSA-N 317.339 3.019 0 40 DGAB CCCCNS(=O)(=O)c1ccc(N2C[C@H](C)C[C@@H](C)C2)cc1 1805458 PAFJCHUTHMDFCK-HUUCEWRRSA-N 324.490 3.247 0 40 DGAB COCc1ccccc1NC(=O)c1ccccc1-n1cccn1 44549039 UEKMXFNSGXXDTB-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB Cc1ccc(CN(C(=O)c2cnc3[nH]nc(C)c3c2)C2CC2)cc1 58092175 ZTDLASFHULRBHA-UHFFFAOYSA-N 320.396 3.380 0 40 DGAB Cn1cc(C(=O)N2CC[C@@H](c3cccc(C(F)(F)F)c3)C2)cn1 97107314 UZKWULIXOSHOMN-GFCCVEGCSA-N 323.318 3.069 0 40 DGAB CC(C)N(C(=S)NC(=O)C1CCCCC1)c1ccccn1 12654979 SXNFKTBYBBJENZ-UHFFFAOYSA-N 305.447 3.278 0 40 DGAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1ccccn1 27654485 OIIIZYSALWXQNI-UHFFFAOYSA-N 308.341 3.093 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CC1)c1ccnc(-n2ccnc2)c1 48224107 FJXLAGHWPHPKFL-GOSISDBHSA-N 318.380 3.148 0 40 DGAB Cn1ccs/c1=N\C(=O)c1c2c(nc3ccccc13)CCCC2 58357509 WVRODPLGCYPFRG-ZZEZOPTASA-N 323.421 3.255 0 40 DGAB Cc1cc(C(=O)N2CCC(n3ccnc3)CC2)c2ccccc2n1 58327789 JJZCYPJSVZSTIZ-UHFFFAOYSA-N 320.396 3.217 0 40 DGAB COc1c(Cl)cc(C(=O)Nc2nc(C)ns2)cc1Cl 27742560 KNWZMFTUZOFVOU-UHFFFAOYSA-N 318.185 3.414 0 40 DGAB Oc1nc(CN2CC[C@@H]3CCCC[C@H]3C2)nc2ccsc12 36385077 QMMSDZOFNUYZQF-RYUDHWBXSA-N 303.431 3.409 0 40 DGAB COc1cc(NC(=O)NC2CCC(C)CC2)ccc1NC(C)=O 48387297 MLGHUCGWFQODRX-UHFFFAOYSA-N 319.405 3.354 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2nc3ccccc3[nH]2)cc1 13114635 UTUDKENGPXKVEN-UHFFFAOYSA-N 323.352 3.173 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc(Cl)c1Cl 4018745 WUUUKHGNBRMLAV-ZTCHHREXSA-N 308.164 3.305 0 40 DGAB NC(=O)CCSc1ncnc2scc(-c3ccccc3)c12 8941532 KFCUGZVQEZCTGB-UHFFFAOYSA-N 315.423 3.326 0 40 DGAB C/C=C/C[S@](=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 83035491 PDOPUGNYNKXQTB-GMKGHPLGSA-N 319.348 3.359 0 40 DGAB CCN(C[C@@H]1CCCO1)c1nc2cc(C)nn2c2ccccc12 65609175 DUWYCYIKMNXBNL-AWEZNQCLSA-N 310.401 3.196 0 40 DGAB CC(C)OCCOCc1cccc(NC(=O)N2CCCC2)c1 65985440 LPOPLRCEJNZPFZ-UHFFFAOYSA-N 306.406 3.256 0 40 DGAB COc1ccccc1/C=C1\CCn2c1nc(=O)c1ccccc12 6673029 WULICNYIDLNCPR-WYMLVPIESA-N 304.349 3.349 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccc(C)cc2)cc1 67208130 LCJPGNPZIOOCSD-HNNXBMFYSA-N 311.381 3.338 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)c2sc(C)nc2C)no1 96001112 UCVIOOLPYJAEQO-LBPRGKRZSA-N 320.418 3.209 0 40 DGAB Cc1ccc2oc(C(=O)N3CCCC[C@@H]3Cn3cccn3)cc2n1 71865433 MZPQXVGHTYFGSA-CQSZACIVSA-N 324.384 3.028 0 40 DGAB CCCCn1nnnc1NCc1ccc(-c2ccc(F)cc2)o1 7262186 RRGOAFCLRMWKDR-UHFFFAOYSA-N 315.352 3.484 0 40 DGAB COc1ccc(-c2nnc(SCc3cc(C)on3)n2C)cc1 7834584 ADGNQTUVCCZKMG-UHFFFAOYSA-N 316.386 3.079 0 40 DGAB NC(=O)c1csc(C(=O)N2CCCC3(CCCCCC3)C2)c1 81304434 DKZCFYOUVVOIQW-UHFFFAOYSA-N 320.458 3.424 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)c1c(C)noc1C 71857430 WZBVWJQUYKSKDB-UHFFFAOYSA-N 302.374 3.051 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(OC)cc1 20490981 PBDDWBXGEQLNAC-CQSZACIVSA-N 313.397 3.341 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccc(-n3cccn3)cc2)c1 69459785 PKALIVIHIHTYIX-HZPDHXFCSA-N 309.417 3.117 0 40 DGAB CCOc1ccc([C@@H]2SCC(=O)N2c2nccs2)cc1 17198265 CZXDVOYWHFJRPG-ZDUSSCGKSA-N 306.412 3.320 0 40 DGAB Cc1noc(C2CCN(C(=O)Nc3ccc(F)c(F)c3)CC2)n1 69618150 FXGNEISOCQARMB-UHFFFAOYSA-N 322.315 3.068 0 40 DGAB Cc1ccccc1CC(=O)N1CCC(Nc2cccnc2)CC1 69657625 XTGFHPCSBNMCMT-UHFFFAOYSA-N 309.413 3.036 0 40 DGAB Cc1noc(C2CCN(C(=O)Nc3cc(F)ccc3F)CC2)n1 69774431 HBBPXOPWTRBSKJ-UHFFFAOYSA-N 322.315 3.068 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2Cl)c(C)c1C(C)=O 19811643 BWLINGOKZXYENL-UHFFFAOYSA-N 306.749 3.213 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2ccccn2)cc1OC 9835564 OLTAZWSEXROERM-UHFFFAOYSA-N 306.749 3.395 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)n[nH]1 84110127 FZDYMHLZEMKYDX-QWHCGFSZSA-N 303.431 3.289 0 40 DGAB Cc1nc(CN(C)C(=O)Nc2cccc(OCC(C)C)c2)no1 97080842 BSIMMXYGQGIJIO-UHFFFAOYSA-N 318.377 3.077 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)NC[C@@H]1CC=CCC1 95421055 FUMMCBXHIJWKCL-LSDHHAIUSA-N 302.418 3.358 0 40 DGAB CN(C1CCCC1)S(=O)(=O)c1ccc(Br)cc1 20106367 PEMXJPICXBYHBQ-UHFFFAOYSA-N 318.236 3.012 0 40 DGAB COc1ccc(CCC(=O)Nc2cccnc2Cl)cc1F 73474689 AYLLOMHXITUCNV-UHFFFAOYSA-N 308.740 3.454 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2nc(C)c(C)o2)n1 75131887 ACIGHPLUEMUDCX-INIZCTEOSA-N 302.422 3.159 0 40 DGAB COC[C@@H](NC(=O)Nc1cnn(C(C)(C)C)c1)c1ccc(C)o1 89652555 UORNCMLSDDODLW-CYBMUJFWSA-N 320.393 3.049 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)CCc1ccsc1 89894916 ZLAAZKOSCDCHCT-CJNGLKHVSA-N 303.427 3.309 0 40 DGAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1C[C@H]2CCC[C@@H]2C1 89809591 ZDMSQYFJVARUOZ-OAGGEKHMSA-N 315.413 3.117 0 40 DGAB O=C(O)c1ccc(F)c(NC(=O)C2CCC(F)(F)CC2)c1 179234111 ASJZEUHUZWYYFR-UHFFFAOYSA-N 301.264 3.288 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CC(=O)Nc1nocc1C 123913212 XANOXXAALZEIMV-CYBMUJFWSA-N 300.358 3.440 0 40 DGAB O[C@@H]1C[C@H](c2ccccc2C(F)(F)F)N(Cc2ccno2)C1 547771494 VLWQYSMLEKXRLV-QMTHXVAHSA-N 312.291 3.001 0 40 DGAB CCOc1ccccc1Nc1cc(C(F)(F)F)nc2ncnn12 35314626 ASIDJPXDIOEQGA-UHFFFAOYSA-N 323.278 3.285 0 40 DGAB COc1ccc(CC(=O)Oc2ccc(-c3noc(C)n3)cc2)cc1 60960182 UMVOJVBSGHJYGN-UHFFFAOYSA-N 324.336 3.202 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@H]1CC[C@@H](O)C1 189701276 VDJIMQWLLQITTH-GOEBONIOSA-N 320.433 3.203 0 40 DGAB Cc1nc(Nc2cnccn2)cc([C@@H]2CCCCN2C(C)C)n1 72382647 XSOJXSHZCIIYRI-HNNXBMFYSA-N 312.421 3.254 0 40 DGAB CCCCCC(=O)Nc1ccc(I)cn1 9064341 UBZFZEZUWVULCO-UHFFFAOYSA-N 318.158 3.205 0 40 DGAB N[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 72228175 XXGSLTJRFBSTIB-GJZGRUSLSA-N 321.207 3.404 0 40 DGAB COc1ccc(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)cc1 38935495 WRICQYWKKUDIAJ-INIZCTEOSA-N 311.381 3.334 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC(C)(C)C 223177145 IPCYMLSDBVKBMX-OAHLLOKOSA-N 304.434 3.119 0 40 DGAB COc1ccc(-c2nc3cc(C(=O)N4CCCC4)ccc3[nH]2)cc1 225253132 FCPDOEWXMHBTTD-UHFFFAOYSA-N 321.380 3.475 0 40 DGAB Cc1cc(CS[C@@H]2CCN(c3c(F)cccc3F)C2=O)on1 88305936 LQAHWQMWSADHMG-CYBMUJFWSA-N 324.352 3.300 0 40 DGAB Clc1ccccc1-c1n[nH]cc1I 82565124 AZSVZSCBPWXNBK-UHFFFAOYSA-N 304.518 3.335 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875093 RKBCNPQNBCOYKB-MLGOLLRUSA-N 315.417 3.279 0 40 DGAB C[C@H](CC(=O)NCC(=O)c1ccco1)c1ccc(F)cc1F 195560094 AQEYYNXHTBZPDB-SNVBAGLBSA-N 307.296 3.051 0 40 DGAB CCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(F)cc1 226365252 WYYIFKOWOSVVIM-UXBLZVDNSA-N 315.344 3.302 0 40 DGAB CCNC(=O)c1ccc2c(c1)CCCN2C(=O)c1cccc(C)c1 46078619 FGSCSFLVOLMVAN-UHFFFAOYSA-N 322.408 3.338 0 40 DGAB COc1ccccc1O[C@@H](Cc1ccc(Cl)cc1)C(=O)O 225061331 GQCRSGGTABRXLD-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1ccccc1C(=O)NCc1ccnc(-c2cccnc2)c1 225639294 XCWZDPCADFNQRR-UHFFFAOYSA-N 303.365 3.382 0 40 DGAB COc1ccc(NC(=O)C2(OC)CCCC2)c2cccnc12 225887789 LTDKWYYWOHGRLX-UHFFFAOYSA-N 300.358 3.141 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NCCN(C(C)C)C2CC2)c1 96477197 PVMAVTYSPVBINC-CQSZACIVSA-N 303.450 3.168 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)c2nc3cc(Cl)ccc3n2C)on1 96456265 GDLBXELXJJJPHA-VIFPVBQESA-N 319.748 3.441 0 40 DGAB CCOC(=O)CCCOc1ccc(Br)c(C)c1 95738525 GCPAQSLDMWGUCW-UHFFFAOYSA-N 301.180 3.480 0 40 DGAB COc1ccc(-c2noc([C@H]3OCCc4ccccc43)n2)cc1 95432546 XXPMSZDUOMNPKO-INIZCTEOSA-N 308.337 3.407 0 40 DGAB Fc1ccccc1CN1CC2(C1)OCC[C@@H]2CCOCC1CC1 247527604 NRHJSVVWEUUQBV-KRWDZBQOSA-N 319.420 3.233 0 40 DGAB CCCn1nccc1-c1cnc(C[C@H]2CCN(C(C)C)C2)cn1 257274968 NNKWMHLCWLUXNK-OAHLLOKOSA-N 313.449 3.023 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)C2(c3ccccn3)CC2)C1 585131693 DCXCABVEMSTADC-CQSZACIVSA-N 304.459 3.247 0 40 DGAB CC(C)CN1CCO[C@@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257295334 QXXNLNRGYINZNJ-QGZVFWFLSA-N 318.392 3.434 0 40 DGAB CC(C)Cc1ccc([C@H](C)C(=O)N(C)Cc2ncon2)cc1 277282514 ILEJSVWYDZLXLT-ZDUSSCGKSA-N 301.390 3.030 0 40 DGAB O=C(c1cnccn1)N1CCC[C@@H]1Cc1cccc2ccccc12 58227742 RUVBRRVWOXBTLF-QGZVFWFLSA-N 317.392 3.477 0 40 DGAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCSc3ccccc32)C1 95423871 QDKINYMPRFGIRF-UKRRQHHQSA-N 304.459 3.214 0 40 DGAB CC(C)(C)OC(=O)NCc1cccc(OCc2ccon2)c1 97002700 HZAQWFUJOJXEOE-UHFFFAOYSA-N 304.346 3.278 0 40 DGAB FC(F)(F)c1nc2c(Cl)c(Br)cnc2[nH]1 238515127 RNXAADKQJABPDU-UHFFFAOYSA-N 300.465 3.393 0 40 DGAB C[C@@H]1CCCN(C(=O)/C=C/c2c(Cl)nc3sccn23)C1 3230813 XOQDZHPLVHGXKE-ORAHPGNNSA-N 309.822 3.321 0 40 DGAB Cc1cccc(CNc2nc3nc(C)c(Cl)c(C)n3n2)c1 5000607 CEWKSYLIWUYMKJ-UHFFFAOYSA-N 301.781 3.315 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@H](c2nnc3ccccn23)C1 12408536 ZJBGSPYOKZDVOT-HNNXBMFYSA-N 320.396 3.058 0 40 DGAB COc1cc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 16281360 VZWLKLBSQYRGSV-SCRDCRAPSA-N 320.458 3.487 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)NC1CCCCCCC1 16470012 OIENFAWWOLLFID-UHFFFAOYSA-N 303.402 3.229 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@H](Cc2ccccc2)C1 19370545 YSYCOCPZUZNEQX-QZTJIDSGSA-N 301.430 3.427 0 40 DGAB CNC(=O)c1ccc(N2CCC(Cc3ccccc3)CC2)c(N)c1 203211583 SBRVKIYUVBENIT-UHFFFAOYSA-N 323.440 3.088 0 40 DGAB Cc1nsc(N2CCC(COc3ccncc3Cl)CC2)n1 1889091580 WFORKIULDXWHJI-UHFFFAOYSA-N 324.837 3.190 0 40 DGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CCCN1 953018377 URCGIMGOEIXHBT-OAQYLSRUSA-N 322.452 3.463 0 40 DGAB O=C(NCCSC1CCOCC1)c1cccc2ccccc12 238828863 FKPFEAISJSADRK-UHFFFAOYSA-N 315.438 3.482 0 40 DGAB CC(C)(CNS(=O)(=O)c1ccc(F)cc1)c1ccsc1 1565519319 LSPKVLFWNAWANW-UHFFFAOYSA-N 313.419 3.143 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1Cc1ccccc1 52123 LHVNCKKBACCNEW-XHVUQVIVSA-N 319.404 3.474 0 40 DGAB COc1ccc(-c2cnoc2-c2ccc(O)cc2O)cc1OC 5451057 VMXMCPKMOVIPGV-UHFFFAOYSA-N 313.309 3.437 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)Nc1ccccc1 1775965543 CINKTRPRVZOEKS-ZDUSSCGKSA-N 312.325 3.395 0 40 DGAB COc1cc(S(=O)(=O)Oc2ccc(F)cc2)ccc1Cl 1775977239 HGIKJHFSJWLEON-UHFFFAOYSA-N 316.737 3.255 0 40 DGAB COc1ccc(NC(=O)c2csc(NC(C)C)n2)c(OC)c1 40286575 ZDDDZQIGWTXMSG-UHFFFAOYSA-N 321.402 3.233 0 40 DGAB CSCCC(=O)N[C@@H](CCSC)c1nc2ccccc2[nH]1 30874420 QXRCAAKFRYXKHC-ZDUSSCGKSA-N 323.487 3.226 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)CCc1c[nH]c2ccccc12 31594577 HYQSDDKOQTZQHZ-KRWDZBQOSA-N 322.412 3.028 0 40 DGAB Cc1c(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cccc1C(=O)N1CCCC1 100794120 MDPJSLTVAYFBRD-ZOBUZTSGSA-N 324.424 3.382 0 40 DGAB C[C@@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccn1 29600461 PGPNCCIBTCBDAJ-CQSZACIVSA-N 322.408 3.411 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@@H]1C[C@H](O)c1ccccc1 76082179 HKLCMVBPAHBROC-WBVHZDCISA-N 314.385 3.077 0 40 DGAB Cc1nnc2n1-c1ccc(Cl)cc1C(c1ccccc1)=[N+]([O-])C2 1567273 WHYAIKHHRCPZBI-UHFFFAOYSA-N 324.771 3.090 0 40 DGAB in-vitro C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)c(F)c1 78898039 RNIYGYSAPFHTLF-ZBEGNZNMSA-N 324.827 3.216 0 40 DGAB CCOC(=O)[C@H](C)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 79355049 JSMNPJPURFUFPT-LBPRGKRZSA-N 306.406 3.343 0 40 DGAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)N2CCc3ccccc32)cc1 32910835 NCSZNUIGAPXKAX-ZDUSSCGKSA-N 324.380 3.002 0 40 DGAB O=C(NCc1cccs1)C1(c2cccs2)CCOCC1 4478949 GFTYOVZZBAVDCW-UHFFFAOYSA-N 307.440 3.174 0 40 DGAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc(F)cc1F 4565102 UQVPRKDTEWEKHO-MLGOLLRUSA-N 309.356 3.386 0 40 DGAB CCc1nnc2c(Nc3ccc(O)cc3)nc3ccccc3n12 7504167 WLWXMTKIVRYMEI-UHFFFAOYSA-N 305.341 3.289 0 40 DGAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 8622594 SCKVBFYHMGNGQY-ODXKATOQSA-N 320.429 3.476 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)Cc1ccc(-n2cccc2)cc1 104442649 QXSDCKWHTMVQLV-XUTLUUPISA-N 319.408 3.471 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCOc3ccccc32)nn1C(C)(C)C 42091946 SVMFLNXMLOIZDO-AWEZNQCLSA-N 313.401 3.200 0 40 DGAB O=C([C@@H]1CCCOC1)N1CCc2cc(Cl)cc(Cl)c2C1 84209383 ACHHGXXLUZETQD-LLVKDONJSA-N 314.212 3.305 0 40 DGAB CC[C@H](NC(=O)NC[C@H](C)c1nccs1)c1nc(C)cs1 97110506 AQMYJGRFVRJOAP-ONGXEEELSA-N 324.475 3.462 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20040910 PULBMXAFOLIKBA-QWHCGFSZSA-N 317.360 3.479 0 40 DGAB O=C(c1ccccc1-c1ccccc1)N1CCC2(CC1)OCCO2 24996934 SJHMVPWBGUFMOD-UHFFFAOYSA-N 323.392 3.333 0 40 DGAB CCCCCc1nnc2n1N=C(c1ccc(OC)cc1)CS2 27027187 GHEVPZVOEVTOBM-UHFFFAOYSA-N 316.430 3.378 0 40 DGAB CCOC(=O)c1sc(NC(=O)Nc2ccccc2F)nc1C 3354902 BQOURRIAMQRXHA-UHFFFAOYSA-N 323.349 3.411 0 40 DGAB CCn1c(NC(=O)Cc2ccc(OC)cc2)nc2ccccc21 10543443 RJCHWLIMDHNVIU-UHFFFAOYSA-N 309.369 3.246 0 40 DGAB CC(C)Cn1c(SCC(=O)NC2CC2)nc2ccccc21 3498683 SKGHIHMJZBMZRS-UHFFFAOYSA-N 303.431 3.063 0 40 DGAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@@H](O)c1ccc(O)cc1 8726671 VWQBJYJUUZSDEU-ZUZCIYMTSA-N 320.776 3.289 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2sccc2C)c1C 3512995 HFSCYWOUNVXNOI-UHFFFAOYSA-N 319.382 3.244 0 40 DGAB CCC(=O)Nc1nc(-c2ccc3c(c2)CCC(=O)N3)cs1 8718450 SZKCFSKNSGGGDK-UHFFFAOYSA-N 301.371 3.043 0 40 DGAB Cc1csc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)n1 9497273 XQQHAJGVVGFXHJ-JTQLQIEISA-N 308.790 3.295 0 40 DGAB COCOc1cc(C)nn1-c1nc(-c2ccccc2)cs1 5274805 GIHMKQLUCNQJQP-UHFFFAOYSA-N 301.371 3.287 0 40 DGAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)NCC(F)(F)F 65488981 ZSGUEFFNPWUBSF-VIFPVBQESA-N 311.307 3.359 0 40 DGAB CC(=O)n1c(C(=O)N[C@@H](C)c2ccccc2)nc2ccccc21 28115812 MBDRTLQQGRNTDF-LBPRGKRZSA-N 307.353 3.187 0 40 DGAB Cc1nn(Cc2ccccc2)c(Cl)c1/C=C/C(=O)NC1CC1 7952806 MVNTVSALJOJGMC-MDZDMXLPSA-N 315.804 3.185 0 40 DGAB CSc1ncccc1C(=O)OCc1nc2ccccc2o1 8316542 NRAULYADPNXDRU-UHFFFAOYSA-N 300.339 3.302 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 69483665 QYIMBRGUTYINKI-KGLIPLIRSA-N 319.474 3.109 0 40 DGAB Cc1ccc2nc(C)c(C(=O)Nc3cccc(C(N)=O)c3)cc2c1 9376556 DRWOQLNQHVEZDY-UHFFFAOYSA-N 319.364 3.203 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)Cc2cccc3ccccc23)cn1 69659306 XVZLOLZOVUGSNO-LJQANCHMSA-N 319.408 3.480 0 40 DGAB C[C@H](N[C@H](C)[C@@H](C)n1cccn1)c1nc(-c2cccs2)no1 69770042 YZFZTLVPWLDKGX-GRYCIOLGSA-N 317.418 3.295 0 40 DGAB O=C(CC1CCCCC1)NC[C@@H](CO)Cc1ccc(F)cc1 72311517 FCXWRKJAPAIYAK-INIZCTEOSA-N 307.409 3.063 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC(F)F 9516528 PMFVTCYNIUFLKT-AWEZNQCLSA-N 320.295 3.151 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)Nc2ccc(-c3ncccn3)cc2)CCO1 97235976 ZDHVAGVSVTZCJB-GOEBONIOSA-N 311.385 3.287 0 40 DGAB Cc1nccc(NC(=O)c2cccc(-c3ncn[nH]3)c2)c1Cl 97238760 WROGNTUUJRKIDF-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB COc1cccc(N2CC[C@@H](CNCc3cccs3)C2)c1 71924599 HEYFSIHKDKXMSM-AWEZNQCLSA-N 302.443 3.373 0 40 DGAB Cc1ccc(-c2noc(-c3ccc4c(c3)nnn4C)n2)c(F)c1 97377785 RVNJJLIDKWMVCP-UHFFFAOYSA-N 309.304 3.133 0 40 DGAB CC(C)(C)c1nsc(NC[C@H]2CCN(CC(F)(F)F)C2)n1 87640657 DLXYJLQQCKNIQE-SECBINFHSA-N 322.400 3.132 0 40 DGAB COc1cc(CN(C(=O)c2[nH]c(C)cc2C)C2CC2)ccc1O 95445895 IJEAGIDPZGETMU-UHFFFAOYSA-N 314.385 3.151 0 40 DGAB C[C@@H](NC1CCN(C)CC1)c1cc(Br)ccc1F 95419517 KXXHGIJZLUENBY-SNVBAGLBSA-N 315.230 3.333 0 40 DGAB CC(C)OCc1ccc(CNC(=O)CNc2ccccc2)cc1 95417938 CAHBWXXKJUSXMT-UHFFFAOYSA-N 312.413 3.340 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccn(C2CCCC2)n1 95463907 YPOQPIXYKXZATA-UHFFFAOYSA-N 313.357 3.257 0 40 DGAB CCc1ccc(C(=O)N2CCc3ccccc3[C@@H]2C(=O)O)cc1 95955622 KSCPGPNNAZSPNH-QGZVFWFLSA-N 309.365 3.073 0 40 DGAB COc1ccc(-c2nnc(SCC[C@H]3CCCN3C)o2)cc1 95975897 PYITVVTWKHILSL-CYBMUJFWSA-N 319.430 3.322 0 40 DGAB CCOc1cccc([C@H](C)NC(=O)Cc2c(C)noc2C)c1 95956755 ZTRHVWQNDAVFOP-NSHDSACASA-N 302.374 3.110 0 40 DGAB CCc1c(C)sc2nc(CC(=O)c3occc3C)[nH]c(=O)c12 89282669 FEQZGQNBLJYYHX-UHFFFAOYSA-N 316.382 3.182 0 40 DGAB CO[C@@H](C)C(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 75138539 RZUFILMUPJGMKV-KOLCDFICSA-N 322.405 3.470 0 40 DGAB COc1ccc(NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)cc1 75139439 OKGAYMUNRZVWOL-NVXWUHKLSA-N 318.417 3.243 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(C)c1 89612127 GJHPWGOLGFEDIG-QGZVFWFLSA-N 311.429 3.365 0 40 DGAB CC(C)(C)C(=O)Nc1cnn(CCc2ccc(F)c(F)c2)c1 89621356 CHGYESPOHOAVDL-UHFFFAOYSA-N 307.344 3.389 0 40 DGAB C[C@@H](O)[C@@H]1CCCN(C(=O)Cc2cc(Cl)ccc2Cl)C1 89894247 AHHXCBMAYYNSEU-GHMZBOCLSA-N 316.228 3.155 0 40 DGAB COc1cccc(CC(=O)N[C@@H](C)CC(=O)c2ccccc2)c1 89894637 LBMYPWUJXVPIOE-AWEZNQCLSA-N 311.381 3.015 0 40 DGAB COc1ccc(-c2nnc(N(C)C(=O)c3ccco3)s2)cc1 34791634 FLPXZJHHROCYLX-UHFFFAOYSA-N 315.354 3.083 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)[C@@H](C)OCC(F)(F)F 32924223 PDIIWXNHJBVLDG-WDEREUQCSA-N 319.323 3.148 0 40 DGAB O=C(O)c1cn(Cc2ccccc2Cl)nc1C(F)(F)F 408717711 PINVXEIYHQJOHZ-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB Cc1cc([C@H]2CCCCN2C(C)C)cnc1N1CCOCC1 72219361 NSVFESPTSAKIAK-QGZVFWFLSA-N 303.450 3.162 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNc1cccc(NS(C)(=O)=O)c1 187313186 UDBRROZCJBUMJS-XJKSGUPXSA-N 308.447 3.462 0 40 DGAB CC(C)c1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)cc1 528755678 HILIXSWPRVTPLD-ZXTQRBJTSA-N 304.434 3.150 0 40 DGAB CC(C)(C)c1ncc(CNc2nnc([C@@H]3CCCO3)o2)s1 181970946 UIYSNXSBMHNVHC-JTQLQIEISA-N 308.407 3.287 0 40 DGAB Cc1cc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)n(C2CCCC2)n1 32508849 UVABWQCNNNMKQR-UONOGXRCSA-N 319.405 3.136 0 40 DGAB Cc1cc(NC(=O)[C@H]2C[C@H]2c2ccccc2C(F)(F)F)[nH]n1 71962778 ZBLRJWPUGUNTCN-QWRGUYRKSA-N 309.291 3.479 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)Cc2ccccc2Cl)C1 46961511 RPDAYYMXQPAVOI-CQSZACIVSA-N 308.853 3.121 0 40 DGAB Cc1nc2c(NCc3ccccc3C(F)(F)F)ncnc2[nH]1 41121338 WZNNMJJNIIISHK-UHFFFAOYSA-N 307.279 3.292 0 40 DGAB O=C(Cc1cccnc1)NCc1ccnc(-c2cccs2)c1 225652151 KHTMVXGUPCALMA-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB CCN(CC)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1N 226262486 FXRHNEPYOBDRDK-UHFFFAOYSA-N 324.639 3.424 0 40 DGAB Cc1nc(C(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cs1 85491686 BQKOVCOHRXTIOC-AWEZNQCLSA-N 314.410 3.329 0 40 DGAB C[C@H](CN(Cc1ccccc1)C(=O)c1ccsc1)C(=O)O 195541680 WYCUQELMLXQTPA-GFCCVEGCSA-N 303.383 3.111 0 40 DGAB C[C@H](Cc1ccccc1F)N[C@@H]1CCO[C@@]2(CCSC2)C1 225473994 JPEWHQJNXKKCLF-UNEWFSDZSA-N 309.450 3.401 0 40 DGAB Cc1ccc(SCCNC(=S)Nc2cccnc2)cc1 225287379 VRMOTYYKHFWMNV-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB CCc1nc2cc(C(=O)Nc3cccc(OC)c3)ccc2n1C 225896738 IZSROZYKFNRZSC-UHFFFAOYSA-N 309.369 3.397 0 40 DGAB Cc1cccc(NCc2ccc(Cn3ccccc3=O)cc2)n1 97096663 AEPBNZQLEYPDJN-UHFFFAOYSA-N 305.381 3.212 0 40 DGAB COCc1ccc([C@@H]2CCCN2Cc2noc(C3CC3)n2)o1 97095263 RTBNMIJVHKEBGI-ZDUSSCGKSA-N 303.362 3.024 0 40 DGAB C[C@@H](C[C@H](O)c1ccco1)Nc1cncc(Br)c1 95449440 JIDJZEMINYGKRB-CABZTGNLSA-N 311.179 3.361 0 40 DGAB CNC(=O)c1cccc(CN[C@@H](CC(C)C)c2ccccn2)c1 95420944 VOQHTCOJUZRWCT-SFHVURJKSA-N 311.429 3.318 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](C(N)=S)CC[C@H]1c1ccccc1 90586786 WEBIJDMCKKACQD-STQMWFEESA-N 306.431 3.413 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2Cc2c[nH]nc2-c2ccccc2)n1 257261063 LFOIIRPAHYHZRQ-INIZCTEOSA-N 307.401 3.445 0 40 DGAB c1ccc(Nc2ccc([C@H]3CN(CC4CC4)CCO3)nc2)nc1 257208918 BOBMJQRCMQZCOX-QGZVFWFLSA-N 310.401 3.004 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@H]3C[C@H]4CC[C@H]3C4)cc2)n1 260907982 VPXKUWAJYYUJAP-WDSOQIARSA-N 323.440 3.467 0 40 DGAB Cc1cc(CNCc2cccc(N3CCOCC3)c2)ccc1F 293109317 YKJBRVMFTARHJA-UHFFFAOYSA-N 314.404 3.261 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)N(C)[C@H](C)c1ccncc1 95942291 NHBBBRCWJLMYKP-LLVKDONJSA-N 300.362 3.480 0 40 DGAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc2c(c1)COC2 576026 DCQPQMGNCMHCMN-LZYBPNLTSA-N 309.296 3.200 0 40 DGAB O=C(CSc1nncc2ccccc12)NCCc1ccccc1 5682731 IGUGYYZXQAUDIS-UHFFFAOYSA-N 323.421 3.081 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1C 5940012 XZUALNWFAXMFHF-ZDUSSCGKSA-N 312.369 3.471 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)c1ccccc1F 14559965 NQEBIAAZQNFBAB-UHFFFAOYSA-N 312.344 3.314 0 40 DGAB CCc1sc(C(=O)O[C@H](C)C(=O)Nc2cc(C)no2)cc1C 32876046 UTWOGZUKEIDVLQ-SNVBAGLBSA-N 322.386 3.099 0 40 DGAB CCCCN(CC)C(=O)CCNC(=O)c1ccccc1Cl 44790690 RCVVZTDSTOBKBR-UHFFFAOYSA-N 310.825 3.109 0 40 DGAB O=C(Nc1ccccn1)c1nn(-c2ccc(F)cc2)c2c1CCC2 10430983 LIHCCNYVWPRFRO-UHFFFAOYSA-N 322.343 3.147 0 40 DGAB CCN(CC)[C@@H](CNC(=O)Nc1cccnc1)c1ccsc1 40091430 OXQGLPHWGPCGCZ-HNNXBMFYSA-N 318.446 3.348 0 40 DGAB CCn1c(=N)n(C[C@H](O)c2ccc(Cl)cc2)c2ccccc21 20158840 ZSEPWAPGCKEZFW-INIZCTEOSA-N 315.804 3.329 0 40 DGAB CC(C)c1noc([C@H](C)Nc2ccc(N3CCCC3=O)cc2)n1 40496484 VEDTWXCKRWQEHW-LBPRGKRZSA-N 314.389 3.493 0 40 DGAB C/C=C/c1ccc(OCC(=O)N(C)c2nccs2)c(OC)c1 40512976 VENZBNVNPSKASX-SNAWJCMRSA-N 318.398 3.227 0 40 DGAB CCCCNC(=O)Nc1ccc(N2CCCCC2)c2nonc12 20535450 DRLXBPAWMCOYTC-UHFFFAOYSA-N 317.393 3.135 0 40 DGAB Fc1ccc(Sc2ccccc2CNC2=NCCN2)cc1 346633 WOOOTZOPDGUAGF-UHFFFAOYSA-N 301.390 3.026 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(CC(C)C)cc1 339205 DEKFRHTXDOCUGI-INIZCTEOSA-N 316.401 3.076 0 40 DGAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccc(F)cc1 2692823 ANYGFFVLRXMIKE-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB Cc1cc(C(=O)NCc2ccc3c(c2)CCC3)c2c(C)noc2n1 60487606 SVAGOZHFXXYGGN-UHFFFAOYSA-N 321.380 3.258 0 40 DGAB C[C@]1(C(=O)NC[C@@H](O)c2cccc(Cl)c2)CC1(Cl)Cl 46689485 AIZHUDIMIUXDHY-ZYHUDNBSSA-N 322.619 3.074 0 40 DGAB CC(C)[C@@H](CO)NC(=O)N[C@H](c1cccnc1)C1CCCCC1 78936704 TUDYZCFYCRTHCP-SJORKVTESA-N 319.449 3.019 0 40 DGAB C[C@@H](CO)SCc1nc(-c2cccc(C(F)(F)F)c2)no1 79102115 ZDANSKVUVNLVLM-QMMMGPOBSA-N 318.320 3.369 0 40 DGAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1cccs1 7218260 DXDWOFIIQZNXNV-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)c1cc(C(C)C)[nH]n1 69517805 ZYEHRAQHYJOWCA-UHFFFAOYSA-N 324.388 3.133 0 40 DGAB COc1cc2c(cc1OC)CN(c1ncnc3ccccc13)CC2 52712838 XXCCMEAYABSOSY-UHFFFAOYSA-N 321.380 3.210 0 40 DGAB biogenic COc1ccc(/C=C/C(=O)Nc2ncc(C)s2)c(OC)c1 8775738 IIJWDDBVKGYPMI-FNORWQNLSA-N 304.371 3.121 0 40 DGAB COc1ccc(-n2nc(C3CC3)c3c(C(=O)O)cc(C)nc32)cc1 12396091 UFBPVVONXLXSKV-UHFFFAOYSA-N 323.352 3.313 0 40 DGAB C[C@@H](NC(=O)NCC(=O)c1ccc(F)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 104258249 IOXDTILFBOMQKW-DSPQJCBJSA-N 318.392 3.132 0 40 DGAB C[C@H]1C[C@H](C)CN(c2ccc3nnc(-c4ccccc4)n3n2)C1 54389424 LOFYVEBIMNSJBT-KBPBESRZSA-N 307.401 3.274 0 40 DGAB Cc1cc(Br)oc1C(=O)Nc1ccc(C(=O)O)cc1 97160147 IJQGMRDJTIHXAG-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB Cc1ccc(-c2cc3nc(-c4cnccn4)[nH]c(=O)c3s2)cc1 54754323 SBOHLUMHVFNBKU-UHFFFAOYSA-N 320.377 3.417 0 40 DGAB Cc1ccc(C)c(CS[C@@H](C)C(=O)Nc2ncccn2)c1 69698309 HTVBCVVJIHWVQH-ZDUSSCGKSA-N 301.415 3.354 0 40 DGAB Cc1cc2n(CCc3ccccc3)c(=O)c3ccccc3n2n1 1399526 STGXNDXUYRDFBZ-UHFFFAOYSA-N 303.365 3.200 0 40 DGAB CCCC[C@@H](CC)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C1=O 104315712 MBNUDOVYZALAPP-XBRDJLCQSA-N 309.837 3.371 0 40 DGAB c1ccn(C[C@@H]2CC[C@@H]3[C@H]2OCCN3Cc2ccsc2)c1 107747411 SARPCIGFHPLUPT-BBWFWOEESA-N 302.443 3.229 0 40 DGAB CN(Cc1cscn1)C(=O)CCCOCc1ccccc1 50346008 BEJGXHYBMLCSLQ-UHFFFAOYSA-N 304.415 3.099 0 40 DGAB O=C(Nc1ccccc1-c1nnnn1C1CC1)[C@H]1C[C@H]2CC[C@H]1C2 108059925 SGIZGLIVIGLMEC-HUBLWGQQSA-N 323.400 3.050 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 48287048 SUFHBUXYCQHAMA-ZIFCJYIRSA-N 314.473 3.198 0 40 DGAB CCCCNC(=O)C[S@@](=O)Cc1cccc2ccccc12 58155712 BQBRUWMXGIMWLM-OAQYLSRUSA-N 303.427 3.005 0 40 DGAB Cc1csc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)n1 58197346 SPZVSPHVRDFMTO-CYBMUJFWSA-N 321.471 3.280 0 40 DGAB Cc1c(-c2ccncc2)n[nH]c1NC(=O)COC1CCCCC1 58282968 CLTMABWXXSMOKE-UHFFFAOYSA-N 314.389 3.068 0 40 DGAB Cc1ccc(-n2ncc3c(NC[C@H]4CCCO4)ncnc32)cc1C 20662112 MQYZIYCFBVITID-OAHLLOKOSA-N 323.400 3.023 0 40 DGAB CCCC(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577276 XIFMINMBHHZDTG-UHFFFAOYSA-N 323.437 3.429 0 40 DGAB CC(C)=CC(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58341204 BFRZODREYSCXLN-UHFFFAOYSA-N 306.369 3.003 0 40 DGAB COc1ncccc1CNC(=O)Nc1nc2ccccc2s1 45032456 YQDJUTLYOHVOPW-UHFFFAOYSA-N 314.370 3.022 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2cc(Cl)ccn2)c(OC)c1 45242344 UEFDZVGQKMTHTQ-SNVBAGLBSA-N 320.776 3.243 0 40 DGAB CCCCn1nnnc1CSc1nnc(C2CCCCC2)o1 48309395 JFPGTLICWYCROM-UHFFFAOYSA-N 322.438 3.196 0 40 DGAB c1ccc(-n2nnnc2NCC2(c3ccccc3)CCC2)cc1 12815269 GARFROXKYDMIKR-UHFFFAOYSA-N 305.385 3.196 0 40 DGAB Cc1csc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)n1 12944716 CVXHXLQBBNQMMG-UHFFFAOYSA-N 324.409 3.378 0 40 DGAB Cc1ccc(Cn2cc(NC(=S)NC3CCCC3)cn2)cc1 13331005 TYPTUHIRTYLGQB-UHFFFAOYSA-N 314.458 3.469 0 40 DGAB Cc1ccc(C(C)(C)CC(=O)Nc2cccc(C(N)=O)c2)cc1 14016844 IQRPRZQLTYQGDQ-UHFFFAOYSA-N 310.397 3.400 0 40 DGAB Cc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 14082973 OISAUWOVMHCYJO-LURJTMIESA-N 314.773 3.025 0 40 DGAB O=C(CCn1cnc2ccccc21)N1CCc2ccccc2C1 5346532 APYSKZYCUIHAIR-UHFFFAOYSA-N 305.381 3.011 0 40 DGAB Clc1cc2c(c(CSc3nncs3)c1)OCOC2 14141314 CBRNIGNPNCZAAO-UHFFFAOYSA-N 300.792 3.350 0 40 DGAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccc(OC)cc2)c1 26032640 KGWBVEAYIXXNOR-CYBMUJFWSA-N 315.369 3.248 0 40 DGAB O=C(CN1C(=O)S/C(=C\c2ccccn2)C1=O)c1ccccc1 4688500 JLSXFEGMKDKWEA-GDNBJRDFSA-N 324.361 3.001 0 40 DGAB O=C(NC(=S)Nc1ccc(F)cc1F)c1cccc(F)c1 21596230 LATCJSDXKRIALZ-UHFFFAOYSA-N 310.300 3.231 0 40 DGAB CCc1noc(C)c1C(=O)Nc1ccnn1Cc1cccs1 7987177 XUBXIYTWUAZNBO-UHFFFAOYSA-N 316.386 3.104 0 40 DGAB O=C(C[C@@H]1CCCO1)NCc1ccc(Oc2ccccc2)nc1 69452671 ZFDDVAMJZYVKLK-INIZCTEOSA-N 312.369 3.059 0 40 DGAB Cc1cc(C)c(CNC(=O)N[C@H]2CCCC[C@@H]2C(C)C)c(=O)[nH]1 71799615 NTSSHXROYZIWJX-ZBFHGGJFSA-N 319.449 3.006 0 40 DGAB CCCn1nc(C)c(CNc2nnc(C(F)F)s2)c1C 97376093 DZEAFLMAAMOKCJ-UHFFFAOYSA-N 301.366 3.311 0 40 DGAB CC(C)[C@H](NC(=O)c1cccs1)C(=O)NCC1CCCCC1 9613945 AOPHHBGZYRPZHR-HNNXBMFYSA-N 322.474 3.199 0 40 DGAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@H]1c1ccc(F)c(F)c1 95396168 GXSHWXYPBJLCHQ-HNNXBMFYSA-N 317.339 3.154 0 40 DGAB COc1ccccc1[C@@H](N[C@H](C)c1ccccn1)c1noc(C)n1 97037756 GTYFVQRKZWIVAB-SJKOYZFVSA-N 324.384 3.222 0 40 DGAB C[C@@H](CNC(=O)c1cc2ccccc2cc1O)CN1CCCC1 84638468 SWTNKYBQJJQVNW-AWEZNQCLSA-N 312.413 3.007 0 40 DGAB C[C@H](NCC(=O)Nc1ccncc1)c1ccc(F)c(Cl)c1 95984586 UJTCVZGLTGDHHR-JTQLQIEISA-N 307.756 3.163 0 40 DGAB C[C@H](NC[C@]1(O)CCCc2ccccc21)c1cncc(F)c1 95967847 VUYCHCVDPUQMKS-SCLBCKFNSA-N 300.377 3.095 0 40 DGAB CN(Cc1nccs1)S(=O)(=O)c1ccc(C(C)(C)C)cc1 74795726 RWGMPKZMDXQBCY-UHFFFAOYSA-N 324.471 3.261 0 40 DGAB COC(=O)[C@@H](C)[C@@H](NCc1sc(C)nc1C)c1ccccc1 89559219 CJRQHRBXQDSJKE-MEDUHNTESA-N 318.442 3.400 0 40 DGAB O=C(OCCCc1cccc2ccccc12)[C@]1(O)CCSC1 89873227 ZZCRGBVSRUZGPL-SFHVURJKSA-N 316.422 3.184 0 40 DGAB CC[C@@H]1CC[C@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 89948235 WTLRNINHCAGIAS-WOPDTQHZSA-N 316.371 3.386 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2c2ncnc3ccccc23)no1 75573018 GLKIMIDJDFEMSV-AWEZNQCLSA-N 309.373 3.478 0 40 DGAB COc1cc(C(=O)NC2CCCC2)c(-n2cccc2)cc1OC 32096743 HJRJMVJNYLGUQQ-UHFFFAOYSA-N 314.385 3.167 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@H]1c1ccsc1C 515217071 GTVYULVEYNHOAI-OAHLLOKOSA-N 302.399 3.269 0 40 DGAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1occc1C(=O)O 516872688 KZSIPTDWJANFBP-WCQYABFASA-N 303.333 3.495 0 40 DGAB Cc1cc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)on1 79357929 BBMJIKYZMHCSSM-UHFFFAOYSA-N 312.281 3.048 0 40 DGAB CCOC(=O)c1c(=O)c2cc(F)c(F)cc2n2c(C)csc12 38421091 KFWGTQRTSMKSDI-UHFFFAOYSA-N 323.320 3.278 0 40 DGAB COc1ccc2c(c1)N(Cc1nccn1C(F)F)C[C@H](C)O2 75857936 UHLAIGRJOYZUEA-JTQLQIEISA-N 309.316 3.074 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2C)c1 72329244 ZOSQYBAXVMCLSZ-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB CC(=O)N1CCC[C@H](c2nc(C)cc(Cc3ccc(C)cc3)n2)C1 72360611 SIGUQUUOUVYOPF-SFHVURJKSA-N 323.440 3.410 0 40 DGAB O=C(Nc1cccc(OC(F)F)c1)[C@H]1COc2ccccc2C1 48344615 NGFGGKMEACPNRT-GFCCVEGCSA-N 319.307 3.478 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)N[C@@H](C)CC 223139270 DUSTUZLCJYQQED-KBPBESRZSA-N 322.424 3.258 0 40 DGAB COc1cccc2c1CCN(C(=O)CCc1ccsc1)CC2 193214105 IDKBWGRFYXIPPX-UHFFFAOYSA-N 315.438 3.317 0 40 DGAB COC1(CNC(=O)c2ccccc2Cl)Cc2ccccc2C1 225718869 YSCNOPWEGQSWDW-UHFFFAOYSA-N 315.800 3.254 0 40 DGAB CCOC(=O)Nc1cccc(OCC(=O)N2CCCCCC2)c1 49783150 DFNDZGMCPNWDRG-UHFFFAOYSA-N 320.389 3.036 0 40 DGAB CSc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 40989981 CKXBCBPQXAQDOI-UHFFFAOYSA-N 323.443 3.366 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)cn1 40062379 BGJBWHMFXDLPDV-CQSZACIVSA-N 313.401 3.455 0 40 DGAB CC(=O)N1CCC2(CC1)CC(=O)c1c(ccc3ccccc13)O2 225824275 XFLZWJWZGWFHTM-UHFFFAOYSA-N 309.365 3.186 0 40 DGAB CN(C(=O)C(F)(F)F)c1cccc(NC(=O)c2ccco2)c1 226285682 VRZLZELTSJIAOW-UHFFFAOYSA-N 312.247 3.057 0 40 DGAB COc1ccc(C(=O)Nc2c(C)cc(N)cc2C)cc1OC 45889875 XCKPFNXBRHBPQD-UHFFFAOYSA-N 300.358 3.155 0 40 DGAB Cc1noc(C)c1C(=O)NCc1ccnc(-c2cccs2)c1 225651563 HKEIMTCRFKXCKO-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CSc1ccccc1C(=O)NC[C@H](C)N1CCC[C@@H](C)C1 46953070 CBZLHTBNBZYFFM-KGLIPLIRSA-N 306.475 3.259 0 40 DGAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1cn2cc(Cl)ccc2n1 530180447 ZWHMIKAIYGUSBO-QWRGUYRKSA-N 321.808 3.061 0 40 DGAB Cc1nc(NC(=S)NCC(C)C)ccc1Br 223876884 RTJUBAWHEJWDJG-UHFFFAOYSA-N 302.241 3.095 0 40 DGAB CCC(=O)Nc1cccc(CS(=O)(=O)Cc2ccccc2)c1 96407289 UFUGVWTYCMUKLC-UHFFFAOYSA-N 317.410 3.150 0 40 DGAB Fc1cccc(CN2C[C@H]3CN(Cc4cccs4)C[C@H]3C2)c1 96053849 XTCYPGILFWGFKQ-IYBDPMFKSA-N 316.445 3.451 0 40 DGAB Cn1cc(C(=O)NC2CC(C)(C)NC(C)(C)C2)c2ccccc21 95478976 DEXPQBVDUUUWMG-UHFFFAOYSA-N 313.445 3.217 0 40 DGAB CCn1cc(CN(C)C(=O)[C@@H](Cc2ccccc2)C(C)C)cn1 96417043 PDSZINDNLBEHEL-SFHVURJKSA-N 313.445 3.376 0 40 DGAB CC[C@H](c1ccncc1)N(C)C(=O)N[C@H](C)c1nccs1 96415473 PHTDKOYYSWZNNX-DGCLKSJQSA-N 304.419 3.392 0 40 DGAB Cc1nc(-c2nn(C)c(C)c2Cl)n(-c2ccc(F)cc2F)n1 96136990 VVHOTSAOVMUOIM-UHFFFAOYSA-N 323.734 3.216 0 40 DGAB C[C@@H](CNC(=O)CCc1cccnc1)c1ccc(F)c(F)c1 96432602 PFLYEJYEGMDMDT-LBPRGKRZSA-N 304.340 3.212 0 40 DGAB Cc1ccc(CN2CCC[C@H]2c2nccc(CN(C)C)n2)s1 257336987 YQXJQEMCDREPDO-INIZCTEOSA-N 316.474 3.245 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@@H](CO)Cc2cccc(F)c21 585126679 FSHHESCEUDSJHX-NSHDSACASA-N 315.344 3.108 0 40 DGAB O=C(Nc1ccc(Br)c(CO)c1)C(C1CC1)C1CC1 585127161 RMVLABDKPYGWKS-UHFFFAOYSA-N 324.218 3.316 0 40 DGAB Cc1nc(-c2ccnn2C(C)C)cc([C@@H]2CCN(C(C)C)C2)n1 257283385 OYBFBGRBZKLFCK-OAHLLOKOSA-N 313.449 3.427 0 40 DGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCCC[C@H]1c1ccn[nH]1 257261995 LJPMGHAKFARCKA-INIZCTEOSA-N 312.348 3.398 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@@H]2c2cc(C)no2)c1 43065784 LWEKBOJDQGXRHR-OAHLLOKOSA-N 315.373 3.038 0 40 DGAB COc1ncc(NC(=O)Nc2ccc(C)c(Cl)c2)c(OC)n1 96121360 AJQMIXQYBJUAGU-UHFFFAOYSA-N 322.752 3.100 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccc(C)s1)CC2 585102959 MMHKGTBRCZTBGH-HNNXBMFYSA-N 309.475 3.464 0 40 DGAB Cc1cccc(CO[C@H]2CSC3(C2)CN(CC2CCC2)C3)n1 585105349 UTSRXMIHHBQAIJ-QGZVFWFLSA-N 318.486 3.267 0 40 DGAB CCOCCNC(=O)c1cc2ccccc2n1Cc1ccccc1 48275218 INSBBOQCLFXAFD-UHFFFAOYSA-N 322.408 3.456 0 40 DGAB CCOC(=O)N1CCN([C@@H](C)c2cnc3ccsc3c2)CC1 97165318 WOUMOGUWHZXVMM-LBPRGKRZSA-N 319.430 3.131 0 40 DGAB C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1cccnc1 12145518 QJHKGCDNDOADME-NSHDSACASA-N 311.316 3.367 0 40 DGAB O=C(c1ccccn1)N1CCC[C@H](n2cnc3cc(F)ccc32)C1 13267777 IOQQKVCIHVBORC-AWEZNQCLSA-N 324.359 3.048 0 40 DGAB CCn1c(C)c/c(=N\C(=O)c2ccccc2O)n1-c1ccccc1 16952451 VNCOWZFHARHZND-CZIZESTLSA-N 321.380 3.054 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)CCc2ccc(F)cc2)c1 18120153 NWKRJPSODWXSFR-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CC(C)n1nccc1NC(=O)CCc1cnn(-c2ccccc2)c1 22290558 HNCBAYZVWJIDPP-UHFFFAOYSA-N 323.400 3.221 0 40 DGAB Cc1cccc(NC(=O)CCn2c(=O)oc3ccccc32)c1C 4251609 BOEUBARHJXDGFK-UHFFFAOYSA-N 310.353 3.240 0 40 DGAB Cc1cnccc1OCC1CCN(c2ncccc2F)CC1 2086860583 ZMNHURJGHGSHPZ-UHFFFAOYSA-N 301.365 3.220 0 40 DGAB Cc1nnsc1C(=O)N[C@@H](C)Cc1csc2ccccc12 575620938 MWSVSXKZFFNRPA-VIFPVBQESA-N 317.439 3.422 0 40 DGAB O=C(NCC[C@@H](CCO)c1ccsc1)NCc1cccs1 585146851 CKPKHBYCIXYGQQ-LBPRGKRZSA-N 324.471 3.165 0 40 DGAB CN(C(=O)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1)C1CCCC1 40069726 JNKZTKWUPMAHDK-GFCCVEGCSA-N 320.820 3.094 0 40 DGAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@@H](C)C(C)C)c(C)n2n1 31716600 UBAWOLNWSDSDJL-AWEZNQCLSA-N 316.449 3.090 0 40 DGAB Cc1cc(C(=O)N2CCc3sccc3C2)nn1C(C)(C)C 40553459 LFSWSCPGUIBVER-UHFFFAOYSA-N 303.431 3.207 0 40 DGAB Cc1nc2cc(NC(=O)CCOCC(F)(F)F)ccc2o1 32796838 GQRGNZKCWNELPT-UHFFFAOYSA-N 302.252 3.044 0 40 DGAB Cc1ccc2cccc(NC(=O)[C@H]3COc4ccccc4O3)c2n1 11917468 GRQWNPLISXGMSN-QGZVFWFLSA-N 320.348 3.322 0 40 DGAB COC(=O)CSc1nnc(COc2ccc(C(C)C)cc2)o1 418608 BGPAPEMSWBGVJL-UHFFFAOYSA-N 322.386 3.037 0 40 DGAB Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)c2ccccc2n1 46492726 DIXOVTIXBBPAOD-ROUUACIJSA-N 310.397 3.327 0 40 DGAB CC(C)CCC(=O)N[C@H](c1ccccc1F)c1nccn1C 29999432 NPJCWCUXOJNONA-MRXNPFEDSA-N 303.381 3.201 0 40 DGAB Cc1noc([C@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 76046855 YUVZUCYLKNOULG-GWCFXTLKSA-N 303.410 3.058 0 40 DGAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)N(CC)CC 1338188 YRYKTIGGTWJOPY-UHFFFAOYSA-N 322.430 3.056 0 40 DGAB COc1ccc(-c2ccc(NC(C)=O)cc2)c(OC)c1OC 1663952 XMSFLLKFURXFCV-UHFFFAOYSA-N 301.342 3.338 0 40 DGAB O[C@@H](CNc1ccnc2cc(Cl)ccc12)COCC1CC1 78649658 VTMTTWDVLDAYBX-ZDUSSCGKSA-N 306.793 3.088 0 40 DGAB O=C(NCC1(CO)CC1)c1ccc(-c2ccccc2Cl)o1 79109934 RFPXWCALXLFCOX-UHFFFAOYSA-N 305.761 3.102 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)c(C)c1 2713180 GGLJTZDMLKUPHV-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1cccc(C)c1NC(=O)NCCN(C)C(=O)OC(C)(C)C 69484097 IPGNYWAEFFKBRS-UHFFFAOYSA-N 321.421 3.292 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCC(C)C)CC1 17116637 FBCOEGHSEPWUDC-UHFFFAOYSA-N 309.841 3.136 0 40 DGAB CCOc1ccc(NC(=O)/C=C/c2cnc(SC)nc2)cc1 107952797 CJUJYJBIEFUYBZ-RUDMXATFSA-N 315.398 3.249 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(Cl)c2)C1 10542848 VAHGQBRGGDWMFM-ZIAGYGMSSA-N 308.853 3.438 0 40 DGAB NC12C[C@@H]3C[C@@H](C1)CC(c1cc(C(=O)O)c4ccccc4n1)(C3)C2 103889334 PKPGXBXDNMSFJU-CJKMCJCZSA-N 322.408 3.482 0 40 DGAB COc1ccc(/C=C2/N=C(S)N(Cc3ccccc3)C2=O)cc1 33573542 SDVYYIHPBINTNA-LFIBNONCSA-N 324.405 3.364 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 103415155 XJZHJXJVGMXUNY-PWNZVWSESA-N 318.417 3.157 0 40 DGAB C[C@@H](CNC(=O)c1cccc2cccnc12)N(C)c1ccccc1 46951460 BNUVHJYCXGQGOE-HNNXBMFYSA-N 319.408 3.490 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47085598 JNGPJOJEKFKTBX-MWLCHTKSSA-N 317.414 3.306 0 40 DGAB CC(C)c1noc(CSc2nc(CC3CCCC3)n[nH]2)n1 23043358 BGWMXSJJIQMIAA-UHFFFAOYSA-N 307.423 3.336 0 40 DGAB CCOc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1 28250283 IKSVMCSEMVUPPC-UHFFFAOYSA-N 313.353 3.385 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCCC1)Nc1nncs1 47498009 IXYLMZDRYKOAPQ-UHFFFAOYSA-N 320.393 3.311 0 40 DGAB COC1CCN(C(=O)Nc2ccc(N(C)C(C)C)c(F)c2)CC1 47560657 WHKGQVBOCUPCRT-UHFFFAOYSA-N 323.412 3.313 0 40 DGAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32 101078506 SFPKBAJTXSWTJP-LLVKDONJSA-N 324.355 3.474 0 40 DGAB Cc1ccc2nc(Nc3ncc4c(n3)CCCC4=O)nc(C)c2c1 1271886 OCWNRGGAYHHHSI-UHFFFAOYSA-N 319.368 3.299 0 40 DGAB CN(C)Cc1ccccc1NC(=O)c1cncn1-c1ccccc1 24810322 QAJOZHOLDUSZDL-UHFFFAOYSA-N 320.396 3.186 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 103333574 SDUIGRKHNCDYNF-NQBHXWOUSA-N 306.431 3.179 0 40 DGAB COc1c(Cc2ccccc2)cc(Br)cc1C(N)=O 57352757 AONRMTNCKBPBNJ-UHFFFAOYSA-N 320.186 3.147 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNCCc2sc(C)nc2C)o1 108427101 AZCJUGMFNBNOJV-UHFFFAOYSA-N 316.430 3.384 0 40 DGAB Cc1csc(NC(=O)CN[C@@H](C)c2ccccc2Cl)n1 26902605 HEGBYHOLCIAINB-JTQLQIEISA-N 309.822 3.394 0 40 DGAB COC(=O)[C@@H](c1ccccc1Cl)N(C)Cc1csc(C)n1 57995689 DQPQGPKYADPKKZ-CQSZACIVSA-N 324.833 3.451 0 40 DGAB O=C(NC1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc[nH]1 48276603 WLNJJPYSJMQBTG-UHFFFAOYSA-N 317.820 3.063 0 40 DGAB C[C@H](c1ccccc1F)N(C(=O)Nc1nncs1)C1CC1 58145079 LZDLTXGZQUPFAN-SECBINFHSA-N 306.366 3.435 0 40 DGAB O=C(c1cnn(Cc2ccccc2)c1)N1CCc2ccccc21 44870549 XECMSZBPXCBFPF-UHFFFAOYSA-N 303.365 3.134 0 40 DGAB Cc1sc(NC(=O)c2csnn2)nc1-c1ccc(F)cc1 58213768 JXJBWOMNKVVLSY-UHFFFAOYSA-N 320.374 3.361 0 40 DGAB CC[C@H](C(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccccc1 13000725 BJLNAMMTUNDRAB-INIZCTEOSA-N 317.410 3.222 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)c2ccc(Cl)s2)cc1 15922040 VZOBZDWUQRPGMY-UHFFFAOYSA-N 314.815 3.367 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2cc(-c3ccccc3)n[nH]2)n1 28239818 RUFFWQHYWDLZAF-UHFFFAOYSA-N 315.764 3.199 0 40 DGAB C[C@@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 63401113 NOFADZCXEAHAHJ-OAHLLOKOSA-N 312.417 3.204 0 40 DGAB C[C@@H](O)CNCc1ccc(OCc2ccccc2Cl)cc1 8535090 BSUNKQKPOXWKQA-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB C[C@@]1(c2ccco2)NC(=O)N(Cc2c(F)cccc2Cl)C1=O 65516861 DWFMOXCMOSUCAC-HNNXBMFYSA-N 322.723 3.039 0 40 DGAB O=C([C@@H]1COc2ccc(Cl)cc2C1)N1CCc2ccccc21 14186526 GAHHHYLNPMAZCO-AWEZNQCLSA-N 313.784 3.480 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccc(F)cc2)CC1 7098836 VVWJCEVCMIFNLT-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB Cc1cncc(C(=O)N2CCC[C@@H](n3cnc4ccccc43)C2)c1 80032702 NEIIKQGARSBUOJ-MRXNPFEDSA-N 320.396 3.217 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc(N(C)C)cc2)cc1F 9365660 FHGDLTGBWWYYTQ-UHFFFAOYSA-N 316.376 3.173 0 40 DGAB Cc1ccccc1CNC(=O)CSc1nc2ccccc2[nH]1 7221581 PVZSAXOUEKATHI-UHFFFAOYSA-N 311.410 3.280 0 40 DGAB COc1ccc(N[C@H](C)C(=O)N(C)C2CCCCC2)cc1OC 7239496 UAPAYTBCWLHACV-CYBMUJFWSA-N 320.433 3.295 0 40 DGAB C[C@@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 7377667 LMHPXSVGOUBFFN-SNVBAGLBSA-N 318.236 3.012 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccsc1 7926990 SBBTUQDPRMSZLX-UHFFFAOYSA-N 302.399 3.021 0 40 DGAB CCc1cccc2c3c(n(C)c12)[C@](CC)(CC(=O)O)OCC3 21981202 FVGKDAYQHVFRGK-SFHVURJKSA-N 301.386 3.393 0 40 DGAB in-vitro CC[C@@](C)(NC(=O)Nc1nc(C)ccc1OC)c1nccs1 97143185 SIBDJMHDDCTOBY-OAHLLOKOSA-N 320.418 3.302 0 40 DGAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cc(F)c(F)cc1F 71847615 MYIVHPCJMCLYTD-CQSZACIVSA-N 321.254 3.344 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4ccnc4C)C3)cc2n1 71870642 UQRALJKFOHZMAO-CQSZACIVSA-N 324.384 3.118 0 40 DGAB CCOc1ccc(CNC[C@H]2CCO[C@@H]2C(C)C)cc1OC 97165761 OANGHUIFHNYRJU-CRAIPNDOSA-N 307.434 3.245 0 40 DGAB COC(=O)[C@@H](Nc1cccc(NC(C)=O)c1)c1ccccc1C 97095003 JQKSDQIGYGUMNC-KRWDZBQOSA-N 312.369 3.280 0 40 DGAB CCOc1ccccc1NC(=O)c1cc(-c2ccccc2O)n[nH]1 72427484 NNSILAOKZWVMJV-UHFFFAOYSA-N 323.352 3.433 0 40 DGAB Cc1cc(-c2csc(CN3C(=O)CCC3=O)n2)cc(C)c1F 95403764 OOZBTKUVWXNSGQ-UHFFFAOYSA-N 318.373 3.215 0 40 DGAB Cc1cnc([C@H](C)CNC(=O)Nc2cnn(CC(C)C)c2)s1 95939144 GVWZEUQZYXDJBL-LLVKDONJSA-N 321.450 3.229 0 40 DGAB CCc1cnccc1C(=O)N1CC[C@@H](c2ccc(OC)cc2)C1 95988398 SHKASWOTPFSIPI-MRXNPFEDSA-N 310.397 3.282 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)Nc1ccccc1C(F)(F)F 95957823 QOMDPWTUDLHEQY-VHSXEESVSA-N 302.296 3.347 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)N1C[C@H]2CC=CC[C@H]2C1 95963459 XGDMAFWZYCJJJD-IJEWVQPXSA-N 303.377 3.408 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 95961563 JZGDNWFTMGWTLJ-OAHLLOKOSA-N 308.337 3.114 0 40 DGAB Cc1csc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)n1 88755436 OXPZPJUUNDYPBP-LLVKDONJSA-N 309.385 3.098 0 40 DGAB c1cc(NCc2cccc3cn[nH]c23)cc(N2CCOCC2)c1 89779578 KIFRFMVPPAGTDZ-UHFFFAOYSA-N 308.385 3.012 0 40 DGAB Cc1csc([C@H](NC(=O)[C@H](C)N2CCCCCC2)C2CC2)n1 89705332 SBIUQBGPXHLNSL-DZGCQCFKSA-N 321.490 3.283 0 40 DGAB O=C(NCc1cccnc1)Nc1cc(F)ccc1OC(F)F 89794031 YADMJAVSSDUHLO-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB Cc1ncc(CN2CCC[C@@H]2c2c(C)nn(C)c2Cl)s1 75605228 IWIGRWRSOUYEPQ-GFCCVEGCSA-N 310.854 3.484 0 40 DGAB CCOc1c(Cl)cc(CNCCN(CC)CC)cc1OC 22076007 XKDFMDOCQSAWMP-UHFFFAOYSA-N 314.857 3.179 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(F)cc1)C3 20671526 JIKPJWGIMNERIB-LBPRGKRZSA-N 324.359 3.129 0 40 DGAB C[C@]1(c2ccccc2)CCN(C(=O)c2ccc3c(c2)CCO3)C1 531039536 BCASQWHAXOKNCA-FQEVSTJZSA-N 307.393 3.425 0 40 DGAB O=Cc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 73180957 RMLDDRBSZKHEHZ-UHFFFAOYSA-N 312.350 3.126 0 40 DGAB COc1ccc(NC(=O)N[C@@H]2CCOc3ccccc32)cc1F 48448341 VMJAPYFGLQJLRP-CQSZACIVSA-N 316.332 3.480 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 47173833 PBVUTDXKFBUHJR-BLLLJJGKSA-N 308.385 3.475 0 40 DGAB O[C@H](CNC1c2ccccc2-c2ccccc21)c1ccncc1 195555543 QBUMOPRDJHUKBV-LJQANCHMSA-N 302.377 3.475 0 40 DGAB O=C(NCCSCc1cccs1)[C@@H]1C[C@@H]1c1ccco1 49398273 UCRZDQGAEWONDV-QWHCGFSZSA-N 307.440 3.494 0 40 DGAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(OC)cc1 199524979 MQQWZLZPWLVGQL-CYBMUJFWSA-N 316.290 3.175 0 40 DGAB Cc1c(C2CC2)n[nH]c1NC(=O)CCc1nc2c(C)cccc2[nH]1 96455631 SKKVAOHVCRARFJ-UHFFFAOYSA-N 323.400 3.352 0 40 DGAB CCOc1cc2c(cc1/C=C1/SC(=O)N(C)C1=O)CCC2 98086354 NQCRYQPGRVXEJU-NTEUORMPSA-N 303.383 3.240 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96206288 JLSLKTJAXWTGLI-HNNXBMFYSA-N 309.475 3.322 0 40 DGAB CN(C[C@@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 98181652 UXQRAMZRGNHVQQ-INIZCTEOSA-N 304.434 3.375 0 40 DGAB C[C@]1(C(=O)Nc2nccs2)CC(c2ccccc2Cl)=NO1 96192588 KQCUIAZMIYOGPW-CQSZACIVSA-N 321.789 3.318 0 40 DGAB CN(Cc1ccncc1)C1CCC(NC(=O)OC(C)(C)C)CC1 96455321 UOYYQQKQYRDVDF-UHFFFAOYSA-N 319.449 3.349 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@H]1C(N)=S 90586748 BHPWNHCGNFMQBR-OLZOCXBDSA-N 306.431 3.066 0 40 DGAB Cc1nccc(N2CCC[C@](C)(c3ncn4ccsc34)C2)n1 257221291 DOIXQDXYSHXPKE-INIZCTEOSA-N 313.430 3.052 0 40 DGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@@H]2CCN(C)C2)n1 257317666 VKRLCHMQHPJEKR-GFCCVEGCSA-N 303.435 3.021 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4CCC(=O)C[C@@]43C)[C@H]1CC[C@@H]2O 254737776 PRCPAPQMRSUFRB-WWDXOCFYSA-N 304.430 3.138 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@H](O)CN1CCCCC1)C2 253531673 QHYMIDXILVIDSE-DWRORGKVSA-N 309.494 3.455 0 40 DGAB O=C(c1ccc2[nH]nnc2c1)N1CCC[C@H]1CCc1ccccc1 57307010 DQRHDBQOUKRSRD-INIZCTEOSA-N 320.396 3.195 0 40 DGAB Nc1ccc(OC(F)(F)[C@H](F)[C@H](O)C(F)(F)F)c(Cl)c1 72265911 YLIIXVNFWPELLJ-SFYZADRCSA-N 323.620 3.155 0 40 DGAB Cc1cc(CN(CC(=O)O)Cc2ccc(Cl)cc2)ccn1 1600190585 MENMPFXFFXTJLT-UHFFFAOYSA-N 304.777 3.130 0 40 DGAB COc1cccc(OCC(=O)Nc2cc(C)ccc2OC)c1 5542466 NKPROGWNGQHCDG-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB CC(C)[C@H]1CS[C@@H]2N1C(=O)[C@]2(OCc1ccccc1)C1CC1 5733559 PVAYOPQURUHFJD-BPQIPLTHSA-N 317.454 3.292 0 40 DGAB CCCC(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12236740 VFCDICBMVCJDRD-OAHLLOKOSA-N 324.428 3.468 0 40 DGAB COc1ccccc1CNCc1cc2cc(C)ccc2[nH]c1=O 13998814 UAERAPUCOJFTRK-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB Cn1nc([C@@H]2CCCN(Cc3ccccc3F)C2)c2cccnc21 19289500 NJQRKTSZRYKAJF-OAHLLOKOSA-N 324.403 3.487 0 40 DGAB COCCN1C(=O)S/C(=C/C(C)=C/c2ccccc2)C1=O 6295473 HNTQGCYZSLSFCE-NCPBJGSTSA-N 303.383 3.316 0 40 DGAB CCC1=NN(C(=O)Cc2ccccc2)[C@@](O)(c2ccccc2)C1 328038 QLWBWLDWUMNDKR-IBGZPJMESA-N 308.381 3.073 0 40 DGAB CNC(=O)c1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 15583115 HTUJWJZYYNFXEL-UHFFFAOYSA-N 312.413 3.057 0 40 DGAB C[C@H]1CO[C@H](C)CN1Cc1cc(Cl)c2c(c1)OCCCO2 27644778 XJMWICSUMGZPBP-NWDGAFQWSA-N 311.809 3.111 0 40 DGAB Cc1c(C(=O)C(=O)NCc2cccs2)c2ccccc2n1C 4062558 ARGSQLKEDIFCQD-UHFFFAOYSA-N 312.394 3.047 0 40 DGAB O=c1cc(O)c2sc(SCc3cccc(F)c3)nc2[nH]1 4625760 UYHWMIRISNHPMG-UHFFFAOYSA-N 308.359 3.122 0 40 DGAB Cc1cccc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)n1 11693160 FVGLNYUJGWRQRL-UHFFFAOYSA-N 311.316 3.365 0 40 DGAB COc1cccc(NC(=O)C(=O)c2c[nH]c3ccc(F)cc23)c1 15081547 ZVZVKWHSTGCJSD-UHFFFAOYSA-N 312.300 3.137 0 40 DGAB Cc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)c(C)c1 22686512 ADUPDSVSNSRYOZ-UHFFFAOYSA-N 321.467 3.375 0 40 DGAB COc1ccc(NC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 22766879 CZCBCUVIHXYMRG-HNNXBMFYSA-N 319.430 3.181 0 40 DGAB OC[C@@]12CCC[C@@H]1CN(Cc1ccccc1Br)C2 1888866273 ORKISOQVZKUUHV-HIFRSBDPSA-N 310.235 3.044 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1nc(C(C)(C)C)cs1)C1CCCC1 40015804 GBHNUAZYJQGESA-ZDUSSCGKSA-N 323.462 3.074 0 40 DGAB COc1cc(C(C)=O)ccc1OCCOc1ccc(F)cc1 40159348 LQTSCTPXZDBORG-UHFFFAOYSA-N 304.317 3.495 0 40 DGAB Cc1c([C@@H](C)NC(=O)CCc2c[nH]c3ccccc23)cnn1C 31597373 YPDLYICHJHXHPL-GFCCVEGCSA-N 310.401 3.020 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCO[C@@H]1CCCC[C@H]1C 40534985 OMAXGUITLUHHRB-TZMCWYRMSA-N 308.422 3.432 0 40 DGAB COc1ccc([C@@H](CC(=O)O)c2ccc3c(c2)OCO3)cc1 206550 SLYYYODCGYREOZ-CQSZACIVSA-N 300.310 3.031 0 40 DGAB biogenic CSc1nsc(S[C@@H]2CCc3ccccc3NC2=O)n1 20728884 RDFKVDHKZDBSOA-SNVBAGLBSA-N 323.468 3.306 0 40 DGAB Cc1c(C(=O)OCC(=O)N2CCCC[C@@H]2C)oc2ccccc12 3550042 CWYXCTAOTZDVLA-LBPRGKRZSA-N 315.369 3.299 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccc(F)cc1F)S[C@@H](C)C(=O)N2 6678422 PWYYIEDTIDDNJU-MADCSZMMSA-N 309.341 3.160 0 40 DGAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)Nc1ccc(Cl)cc1F 6700324 UGIGBWPOWLIVDC-HTEOGMQZSA-N 311.740 3.165 0 40 DGAB Cc1nnc2c3ccccc3nc(Nc3ccc(C(=O)O)cc3)n12 7500065 ZNMBNTAWUDTVNW-UHFFFAOYSA-N 319.324 3.028 0 40 DGAB O=C1S/C(=C\c2ccc[nH]2)C(=O)N1CCOc1ccccc1 106766018 RURWBMJHPGLLCF-KAMYIIQDSA-N 314.366 3.130 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@@H]1CC(c2ccccc2)=NO1 33163418 JYXNYIXCGNLCSD-OALUTQOASA-N 320.392 3.447 0 40 DGAB Nn1c(SCc2ccccc2F)nnc1C1CCCCC1 526360 SUILJMCTXSRDQV-UHFFFAOYSA-N 306.410 3.471 0 40 DGAB Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)c(C)c1 8715154 SACSZKCVPJLXMG-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1cccc(-c2noc(CN(C)Cc3cnc(C)s3)n2)c1 47258892 BMWXZPOFOGAGKH-UHFFFAOYSA-N 314.414 3.442 0 40 DGAB COC(=O)c1cccc(OCc2noc(-c3ccsc3)n2)c1 47349812 XNFUUSBXRMVEFQ-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB C[C@@H](NC[C@@H](O)COc1ccc2ccccc2c1)c1ccccn1 23675454 MYVLQGOAUNKBJF-CRAIPNDOSA-N 322.408 3.325 0 40 DGAB O=C(O)c1cc(NC(=O)C(F)(F)F)c(Cl)cc1Cl 20136988 XAJFZIZNDRRATK-UHFFFAOYSA-N 302.035 3.192 0 40 DGAB O=C(Nc1nnc(COc2ccc(F)cc2)s1)c1ccco1 1270925 PUSVAWHJTYMVBR-UHFFFAOYSA-N 319.317 3.102 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)c2ccccc2OC(F)F)no1 24740601 LBUMZDPZHVAUCY-VIFPVBQESA-N 311.288 3.467 0 40 DGAB COC(=O)C1(NC(=O)c2oc3ccccc3c2C)CCCCC1 25170262 QWEDKHHDQGDSBP-UHFFFAOYSA-N 315.369 3.347 0 40 DGAB CC(C)(C)n1nccc1NC(=O)c1ccc(C(F)(F)F)nc1 107125298 ABJAWFJKQDFKNV-UHFFFAOYSA-N 312.295 3.304 0 40 DGAB O=C(NCc1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1 25532421 VXDXSZRFTOTOSD-IBGZPJMESA-N 324.424 3.342 0 40 DGAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccccc1Cl 3232279 OKCWVLQRIMABNE-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2C)C1=O 101275830 XIMYARHOGDCWHH-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@H]1C[C@H]2CC[C@H]1C2 108061875 JCWWJJSIDLDMTK-DEYYWGMASA-N 314.429 3.022 0 40 DGAB COc1ccc(-n2nnnc2/C=C\Nc2ccccc2C)cc1 100209679 ICZQDSDAADBJLC-QXMHVHEDSA-N 307.357 3.062 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1cnn(Cc2ccccc2)c1 28303576 QNWZQKWXSCRIBM-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB c1ccc2oc(N3CCCN(c4nccs4)CC3)nc2c1 58357856 XMDOOJOVJHUPPC-UHFFFAOYSA-N 300.387 3.001 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3ccoc3)sc2c1 12741780 GDAKYIVBWMEKIK-UHFFFAOYSA-N 301.327 3.100 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1ncnc2sccc12 3420703 GUOHZJMHEWPUHN-JQWIXIFHSA-N 321.471 3.478 0 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DGAB COc1ccc(/C=C/C(=O)Nc2ncc(C)s2)cc1OC 6223573 ZTCNPQDNOCORMS-FNORWQNLSA-N 304.371 3.121 0 40 DGAB COCCn1cc(NC(=O)Nc2ccc(Cl)cc2C)cn1 65523892 SRUYXXQJJMWTOL-UHFFFAOYSA-N 308.769 3.135 0 40 DGAB CCOCCCNC(=O)COc1ccc(Cl)c2ccccc12 14198566 LKCOWKPHJAKAEH-UHFFFAOYSA-N 321.804 3.415 0 40 DGAB Cn1ccnc1CNC(=O)c1ccccc1CCc1ccccc1 65607940 UTIHIYJNPUPLOL-UHFFFAOYSA-N 319.408 3.135 0 40 DGAB CN1CCC(CNC(=O)Nc2ccccc2)(c2ccccc2)CC1 4753552 IFSWCUVROCICDI-UHFFFAOYSA-N 323.440 3.472 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)N1CCC1 8745046 OYDJWOPBMPAQOW-CMDGGOBGSA-N 301.777 3.080 0 40 DGAB Brc1ccc(CSc2ncnc3nc[nH]c23)cc1 18094148 CJLNOTWJHWBZEE-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB Cc1cccc(OCC(=O)Nc2c(C)ccc3nsnc23)c1 6720222 MEOOTCGRQHPYLL-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB O=C1C(=O)N(CCc2ccccc2)c2c1cccc2C(F)(F)F 6719584 JNHRAWYJJUBNNR-UHFFFAOYSA-N 319.282 3.477 0 40 DGAB C[C@H]1OCC[C@H]1C(=O)OCc1cnc(-c2ccccc2)s1 92372061 MKBSCWRRWGLAHU-BXUZGUMPSA-N 303.383 3.278 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2cccc(F)c2)C1 67801326 PKADNTNWLFEQPF-HNNXBMFYSA-N 308.397 3.315 0 40 DGAB Cc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCCO4)c1 7714878 LVCWHMVLIBAXRU-UHFFFAOYSA-N 321.332 3.251 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc2ccccc12 9141994 IHTHXBZANMFIQB-UHFFFAOYSA-N 303.321 3.262 0 40 DGAB COc1cccc([C@H](C)OC(=O)c2cccc(-n3ccnc3)n2)c1 97164847 LTIXHMPBOBQPNI-ZDUSSCGKSA-N 323.352 3.194 0 40 DGAB COc1cncc(CCC(=O)N2CCCc3cccc(F)c32)c1 97102295 MOGXZNKSFCNLGY-UHFFFAOYSA-N 314.360 3.141 0 40 DGAB CCc1onc(C)c1NC(=O)NC[C@@H](C)c1nc(C)cs1 97113503 GUGDZFQJAIDETK-MRVPVSSYSA-N 308.407 3.236 0 40 DGAB CC[C@@H](C(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 9384741 UCBCMOLEYPYVOD-QGZVFWFLSA-N 311.381 3.283 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)Nc2cc(C)on2)C12CCCCC2 72306078 QIVRGEPGXGOUQA-CHWSQXEVSA-N 307.394 3.232 0 40 DGAB CCN(C)c1cccc(NC(=O)N(C)Cc2c(C)noc2C)c1 71799561 TWYYCYUWNYIYGF-UHFFFAOYSA-N 316.405 3.411 0 40 DGAB Fc1ccccc1NC(=S)NCCCN1CCCCCC1 61247035 OFYQGIMMPJEXPG-UHFFFAOYSA-N 309.454 3.378 0 40 DGAB CCn1cc(C(=O)N2CCCCCC2)c(=O)c2cc(C)ccc21 408712948 CWWZJJCEAXTQPZ-UHFFFAOYSA-N 312.413 3.346 0 40 DGAB O=C(O)CCN(Cc1cccc(F)c1F)C(=O)[C@@H]1CC=CCC1 97018131 ZEVGOVKCLHVPIS-GFCCVEGCSA-N 323.339 3.124 0 40 DGAB CSc1c(Cl)cccc1NC(=O)N1CCC[C@@H](O)C1 97010153 OGOWUTPPWYTSOA-SECBINFHSA-N 300.811 3.051 0 40 DGAB CCC[C@@H]1C[C@H](C(=O)N(CC2CC2)c2cccnc2)CCO1 97054925 KKODXISEDICYNH-NVXWUHKLSA-N 302.418 3.420 0 40 DGAB CCN(CC1CCN(c2ccccn2)CC1)C[C@H]1CCCOC1 84774563 OZRQKLZRIDXEBN-GOSISDBHSA-N 317.477 3.047 0 40 DGAB CCO[C@@H](C)c1nc(CONC(=O)OC(C)(C)C)cs1 95430851 SUBMGIBWRJGIMH-VIFPVBQESA-N 302.396 3.197 0 40 DGAB CCc1ccc(C)cc1OCC(=O)NCc1ccccc1OC 95452511 BKVYMGOLRGMACW-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CO[C@@H]1[C@@H](C)[C@@H](NCc2nc3ccc(Cl)cc3n2C)C1(C)C 95989226 OTTKKFMDDJIDBM-AMKSKSKJSA-N 321.852 3.376 0 40 DGAB C[C@H](NC(=O)N(C)Cc1nccs1)c1csc(C2CC2)n1 74891020 FJMIRCPSGQUQBR-VIFPVBQESA-N 322.459 3.380 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@H]1CCCC[C@@H]1C(F)(F)F 89774552 XMOKYXXKIQVHQO-KBPBESRZSA-N 315.335 3.164 0 40 DGAB O=C(NCc1nnc(-c2ccccc2)s1)N[C@@H]1C=CCCC1 89853143 FEHNROQRDHOYHW-CYBMUJFWSA-N 314.414 3.113 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2Cc2nnsc2Cl)no1 75581723 JFAVWXPDAMOAMH-VIFPVBQESA-N 313.814 3.035 0 40 DGAB CC(C)Oc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 31776220 BFJAEGSRPSESFI-UHFFFAOYSA-N 313.353 3.497 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](C)N(c2ccc3nnc(C)n3n2)C1 77983999 IZHSIHFROKBQDE-UKRRQHHQSA-N 307.401 3.124 0 40 DGAB CCOC(=O)c1ccc(OCc2cccnc2)c(OCC)c1 73090242 ZCWHYKOULSZCKK-UHFFFAOYSA-N 301.342 3.236 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1 215910806 VGWPKCOANXWONX-BRXULGCHSA-N 305.443 3.481 0 40 DGAB O=C(c1ccncc1)N1CCS[C@@H](c2cccs2)CC1 219499675 PNTXYJUPCUAWSX-CQSZACIVSA-N 304.440 3.464 0 40 DGAB COC(=O)c1ccc2nc(-c3ccc(OC)c(OC)c3)[nH]c2c1 33559248 NZCCPSFRIMMVCA-UHFFFAOYSA-N 312.325 3.034 0 40 DGAB Cc1ccc(OCCC(=O)Nc2cccc(-c3nc[nH]n3)c2)cc1 79310675 XVUBNUHLTFWFAV-UHFFFAOYSA-N 322.368 3.188 0 40 DGAB C[C@@]1(Cc2ccc(F)cc2)CCCN1C(=O)Nc1ccnnc1 563859233 IHPKPKMYCZVPJF-KRWDZBQOSA-N 314.364 3.245 0 40 DGAB O=C(c1ccno1)N1CCS[C@H](c2cc(F)ccc2F)CC1 219307705 RZGPRRFCTKWNEN-AWEZNQCLSA-N 324.352 3.273 0 40 DGAB CC(=O)N1CCC[C@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214492 UGLAFBXVXSWRLI-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB C[C@@]1(C(=O)O)CCCN(CCn2ccc3cc(Cl)ccc32)C1 565100926 LBBKVGLYYWGZIY-QGZVFWFLSA-N 320.820 3.481 0 40 DGAB Cc1cc(OCc2ccc(C(=O)O)o2)c2c(C)cc(=O)oc2c1 40309025 RUYIVRYFIACHMY-UHFFFAOYSA-N 314.293 3.280 0 40 DGAB biogenic Cc1cc(NC(N)=S)cc(C)c1NC(=O)Cc1ccccc1 45890837 CSHPGNVELFMDME-UHFFFAOYSA-N 313.426 3.140 0 40 DGAB COC[C@@H](Nc1ncnc2ccc(F)cc12)c1ccc(C)o1 81010061 LGVABCICCCXJMX-CQSZACIVSA-N 301.321 3.470 0 40 DGAB COc1ccc(CNC(=O)c2ccc3nc(Cl)oc3c2)cc1 225976748 LKENHJDWVSHTJJ-UHFFFAOYSA-N 316.744 3.420 0 40 DGAB Cc1ccncc1NC(=O)[C@@H](C)N1C(=O)CCCc2ccccc21 227168636 SFCBHRQQGNOGOA-CQSZACIVSA-N 323.396 3.087 0 40 DGAB COc1cccc([S@@](=O)Cc2ccc(-n3cccn3)cc2)c1 195562662 VLNQCUUKJBRIQB-QFIPXVFZSA-N 312.394 3.189 0 40 DGAB Cc1nn(-c2ccccc2)c(N)c1[C@H]1OC(=O)c2ccccc21 226745946 XXHPMJBFZMPYTN-INIZCTEOSA-N 305.337 3.023 0 40 DGAB O=C(Cc1cccc(Cl)c1)N[C@H]1COCc2ccccc21 1584179309 SZIILMDJJNXTTF-INIZCTEOSA-N 301.773 3.270 0 40 DGAB C[C@@H](CNC(=O)CC1CCC2(CC1)OCCO2)c1cccs1 225561385 RXJUYICNKZQRQH-ZDUSSCGKSA-N 323.458 3.291 0 40 DGAB CCOc1ccccc1CNC(=S)Nc1ncccc1C 225443960 GPUNTPFWZMKLOE-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB Cc1cc(CN2CCC[C@H](C(=O)c3ccc(F)cc3)C2)on1 96414982 IPSJAQHKZUCJMK-AWEZNQCLSA-N 302.349 3.217 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(Cl)c1OC 69037235 AVWSMYHBULORLI-NSHDSACASA-N 312.797 3.381 0 40 DGAB Cn1ncc2c1[C@@H](COCC1CC1)N(Cc1ccsc1)CC2 96044482 MCDFIEGZCHJHDV-MRXNPFEDSA-N 317.458 3.008 0 40 DGAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1cncs1 577494837 DAWOYDYTNXSTGB-QGZVFWFLSA-N 318.417 3.449 0 40 DGAB CCCCS(=O)(=O)Nc1ccc(NC(=O)C=C(C)C)cc1 96419343 MEYWYHDOKMWOKW-UHFFFAOYSA-N 310.419 3.133 0 40 DGAB CCO[C@H]1C[C@H](NC(=O)c2scnc2Cl)C12CCCC2 96432473 XMQQQTGQHGWUEH-UWVGGRQHSA-N 314.838 3.264 0 40 DGAB CCc1nc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)cs1 97374515 LWCHEVMDURLRPZ-LBPRGKRZSA-N 317.458 3.258 0 40 DGAB O=C(/C=C/c1ccco1)NC1(c2cccc(F)c2)CCOCC1 96431995 OPBUORPQHZHIGJ-VOTSOKGWSA-N 315.344 3.254 0 40 DGAB CCCCCOCC(=O)N1CCC(c2ccc(F)cn2)CC1 585128535 DXZDVTIFHFJFSE-UHFFFAOYSA-N 308.397 3.134 0 40 DGAB Cc1ccc(OC[C@]2(O)CCCN(C3CCC3)CC2)c(C)c1 585280934 CYXAMIJGQBWKAO-IBGZPJMESA-N 303.446 3.452 0 40 DGAB C[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C(=O)N(C)C)C1 56653826 NTVHZACJQFYMHO-NSHDSACASA-N 323.824 3.306 0 40 DGAB CCCc1ncc(C(=O)Nc2cc(C(=O)O)ccc2F)s1 97036172 VUMVLKFQRUURRL-UHFFFAOYSA-N 308.334 3.185 0 40 DGAB Cc1ccccc1C1CCN(C(=O)c2ccc3nncn3c2)CC1 106661576 DIDGFVXVHDOFFA-UHFFFAOYSA-N 320.396 3.058 0 40 DGAB OCc1ccncc1NCc1cc(F)ccc1Br 95448711 CSGONHBEAHYNKE-UHFFFAOYSA-N 311.154 3.088 0 40 DGAB Nc1c(C(=O)NC2CC2)sc2nc(-c3cccs3)ccc12 5660243 ITTJDDWZSOIPIA-UHFFFAOYSA-N 315.423 3.499 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 11636402 CJUDVKBWAPYEGX-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 19933616 KFYQNYFHSACILQ-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB CCOC(=O)c1snnc1-c1ccc(Br)cc1 205580779 SLIRSUPAGOVOHE-UHFFFAOYSA-N 313.176 3.144 0 40 DGAB Cc1ccc2[nH]c(CN3CCCN4C(=O)CC[C@]34C)c(C)c2c1 19658963 PEOGPJAMJQCSDI-LJQANCHMSA-N 311.429 3.329 0 40 DGAB CCn1ncc(Br)c1C(=O)Nc1ccc(C)cc1 32611603 NZJCVDUKGZTJPO-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2ccc(F)c(F)c2)cc1 11693657 YPZBIHBIDHFXQS-UHFFFAOYSA-N 318.367 3.393 0 40 DGAB Cc1csc(C(=O)N2CCC([C@H]3CCCCN3C)CC2)c1 2055759240 BFNWSAJLNAKBKU-OAHLLOKOSA-N 306.475 3.393 0 40 DGAB O=C(c1cccs1)N1CCC[C@H]1c1nnc2n1CCCCC2 40481277 YUNYBSQKOHQVMJ-LBPRGKRZSA-N 316.430 3.043 0 40 DGAB Cc1cc(SCc2cc(=O)n3nccc3[nH]2)nc2ccccc12 100834299 MVEWMYFPFWFPNB-UHFFFAOYSA-N 322.393 3.172 0 40 DGAB Cc1nc(CCNC(=O)[C@@H](C)SCc2ccccc2)cs1 40553476 LWQJWGJTNKHRDB-GFCCVEGCSA-N 320.483 3.432 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(N2CCSCC2)cc1C 51673663 ZNBWIHGRVAGCKP-ZDUSSCGKSA-N 307.463 3.468 0 40 DGAB COc1ccsc1S(=O)(=O)Nc1cccc2ncccc12 101856437 IDUMCOKEOQQTBU-UHFFFAOYSA-N 320.395 3.106 0 40 DGAB C[C@H](N[C@H](CC(=O)c1ccc(F)cc1)C(=O)O)c1ccccc1 44383 KSHWGVIVSLPHCE-BLLLJJGKSA-N 315.344 3.203 0 40 DGAB FC(F)(F)c1ccc2nnc(-c3ccc4c(c3)OCO4)n2c1 80320 PGZDDGIGJSFPHT-UHFFFAOYSA-N 307.231 3.144 0 40 DGAB O=C(/C=C/c1ccc(Br)o1)O[C@@H]1CCCCC1=O 2643475 YKWVNPNLWFUUDX-LXSSAFMLSA-N 313.147 3.110 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N[C@@H](C)[C@@H](C)CO 76081721 HBWPPZPHVURCSZ-JSGCOSHPSA-N 308.422 3.058 0 40 DGAB COc1ccc(CN(c2nn3cc(C)nc3s2)C2CC2)cc1 76516471 FVMFIYFYXRXQDA-UHFFFAOYSA-N 314.414 3.277 0 40 DGAB CCOCCOC(=O)c1ccccc1OCc1ccccc1 1596181 DTULUIXJYVEQCW-UHFFFAOYSA-N 300.354 3.459 0 40 DGAB O=C(NCCc1csc2ccccc12)NCc1ccccn1 79041202 OHIKYLGOTHGKPR-UHFFFAOYSA-N 311.410 3.338 0 40 DGAB Cc1cccc(NC(=S)NCCSc2ccccc2)n1 7368102 NJBGRVRGXAIPEP-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB C[C@@H]1CCCN(C(=O)c2cc(C(N)=O)cs2)c2ccccc21 97113288 LOSQJKYTSSJNLD-LLVKDONJSA-N 314.410 3.391 0 40 DGAB C[C@@H](NC(=O)CCOc1cccc(Cl)c1)c1ccccn1 41774214 OPDJGKWUFPHRNN-GFCCVEGCSA-N 304.777 3.381 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccs2)o1 22246061 RYZDNEZHPPTYKS-ZYHUDNBSSA-N 311.428 3.285 0 40 DGAB CC(C)Cn1ccnc(Oc2cccc(Br)c2)c1=O 61761775 PPJCKAFNRBKKRK-UHFFFAOYSA-N 323.190 3.454 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N1CCc2ccccc2C1 43360437 OSDNBQYRUAIUDN-UHFFFAOYSA-N 300.387 3.006 0 40 DGAB O=C(COC1CCCC1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55946636 JXNKBMAKAIBEEX-AEFFLSMTSA-N 321.392 3.121 0 40 DGAB CCn1cc(-c2cc(O)n3nc(-c4ccccc4)c(C)c3n2)cn1 100776416 SSYVUWPRWVXHJN-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB O=C1CCc2c(OS(=O)(=O)c3cccc(Cl)c3)cccc21 25768571 JBCYJJPAJBDYNZ-UHFFFAOYSA-N 322.769 3.237 0 40 DGAB CN1CCN(C(=O)Nc2ccc(F)cc2)[C@H](c2ccccc2)C1 57389625 PJQTYPQSHHDQAD-KRWDZBQOSA-N 313.376 3.346 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCCCO3)c1ccoc1 57810132 HOQMXYRFCLHJEO-UHFFFAOYSA-N 316.338 3.303 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1 3238352 SMJLRKKQPDCJMZ-CHWSQXEVSA-N 323.820 3.215 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)Nc2ncccc2OC)cc1 58195115 SKHGPKGPXMZZIZ-NSHDSACASA-N 318.398 3.218 0 40 DGAB C[C@@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2ccc(F)cc2)no1 58291171 IHGMSAHVHXANJY-NEPJUHHUSA-N 315.348 3.409 0 40 DGAB CCn1c(CNC(=O)NCc2ccccc2)nc2ccccc21 58289039 AIRBDEPJKGAWJM-UHFFFAOYSA-N 308.385 3.056 0 40 DGAB CCOc1ncccc1C(=O)N1CCCc2cc(OC)ccc21 10541970 BWZVKWMGFNZVQD-UHFFFAOYSA-N 312.369 3.082 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(O[C@H]3CCOC3)CC2)C1(C)C 110660908 QBJROGQJYMXXPO-GVDBMIGSSA-N 321.461 3.021 0 40 DGAB Cc1cc(SC2CCCC2)n2nc(C(F)(F)F)nc2n1 58723310 ZYCAUGDXIAPQBE-UHFFFAOYSA-N 302.325 3.486 0 40 DGAB COc1ccc(CCC(=O)O[C@@H](C)C(=O)c2ccccc2)cc1 11565660 GHOZLVQMALJYTP-AWEZNQCLSA-N 312.365 3.442 0 40 DGAB Cc1ccc(NC(=O)NCCCN(C)CC(F)(F)F)cc1 45951946 HQLBMVQMPHANSD-UHFFFAOYSA-N 303.328 3.001 0 40 DGAB COc1ccccc1C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 12733644 ADXFYACZKOGKIP-AWEZNQCLSA-N 321.380 3.372 0 40 DGAB CCC(=O)c1ccc(OCC(=O)NC2CCCCCC2)cc1 3430163 XWEIGDZMQGSWHQ-UHFFFAOYSA-N 303.402 3.497 0 40 DGAB O=C(CSc1nnc2ccccn12)c1cccc(Cl)c1 3425033 UESDGUSUWKNDAY-UHFFFAOYSA-N 303.774 3.358 0 40 DGAB Cc1cc(Br)ccc1N(C)C(=O)[C@@H]1CCO[C@H]1C 92336988 DFPVWZMFMQAROT-CMPLNLGQSA-N 312.207 3.145 0 40 DGAB O=C1OCCN1CCN1Cc2ccccc2[C@@H](c2ccccc2)C1 63492291 BBDKLKDHBCKXJA-LJQANCHMSA-N 322.408 3.086 0 40 DGAB O=C1CCCCCCCCCCC(=O)OCCOCCO1 4024200 XFACRAHEBUBSCQ-UHFFFAOYSA-N 300.395 3.004 0 40 DGAB biogenic Cc1csc(-c2ccc(C(=O)N(C)C[C@@H]3CCCO3)cc2)n1 84271369 FCSXUASPERIODT-HNNXBMFYSA-N 316.426 3.370 0 40 DGAB Cc1ccc(CN(C)C2CCN(C(=O)c3ccoc3)CC2)cc1 97165322 SWOKTBWSRCGLKJ-UHFFFAOYSA-N 312.413 3.325 0 40 DGAB C[C@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N(C)C 92820686 WVIPVIBWUCSZFM-LBPRGKRZSA-N 318.367 3.121 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc(SC)cc3)ccc21 14253033 RLVHIPZDPMFXDD-UHFFFAOYSA-N 312.398 3.425 0 40 DGAB CCCC(C(=O)NCCN(C)C)(c1ccccc1)c1ccccc1 4674766 KRYFTTYSENQBAM-UHFFFAOYSA-N 324.468 3.451 0 40 DGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](Cc2ccccc2)N1 4718971 HWVBMNPLBQARLT-SJORKVTESA-N 306.365 3.051 0 40 DGAB biogenic COc1ccccc1NC(=O)CN1CCCc2cccc(C)c21 9118916 WOVBPQQNLJGQHX-UHFFFAOYSA-N 310.397 3.395 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cn(C)c3ccccc23)c1 14896183 XPDNVTNCZOVUHL-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB Cc1noc(C)c1CN1CCN(CC2CCC(C)CC2)CC1 97032705 JVRYFXSOKJOWHH-UHFFFAOYSA-N 305.466 3.235 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 72282468 DPEZAZZCSYONOG-CQSZACIVSA-N 315.442 3.049 0 40 DGAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1cc(Cl)c[nH]1 81367536 FRKNYPSUALVIEA-UHFFFAOYSA-N 322.767 3.243 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(Cl)c1OC 69037237 AVWSMYHBULORLI-LLVKDONJSA-N 312.797 3.381 0 40 DGAB CCCOc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC 9466335 SOWBITZZHXRCDJ-QGZVFWFLSA-N 312.369 3.338 0 40 DGAB C[C@H](Oc1ccccc1)c1nn2c(=O)c3ccccc3nc2s1 17056504 AWPXXMAIVZIGKS-NSHDSACASA-N 323.377 3.444 0 40 DGAB C[C@@H]1CC(NC[C@@H]2CCCN(Cc3ccccc3)C2)C[C@@H](C)O1 96493323 PTNWHLDIWJUVMX-LMMKCTJWSA-N 316.489 3.444 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)[C@H]2Cc3ccccc3O2)s1 71883133 JVKXDWPVOFSAGO-XHDPSFHLSA-N 316.426 3.283 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3c(F)cccc3F)n2)cc1 19910666 IOPLKKZJLQJBME-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB O=C(NC[C@@H](O)c1cccs1)Nc1ccc(Cl)c(F)c1 72292007 SJFYNOJYSXKWQE-LLVKDONJSA-N 314.769 3.396 0 40 DGAB CC[C@H](C)[C@@](C)(O)CNC(=O)c1c(C)noc1-c1ccccc1 97378181 LXVBWZYMPLCGCP-SGTLLEGYSA-N 316.401 3.177 0 40 DGAB Cc1ncc2c(n1)CCC[C@H]2Nc1ccc(Br)cn1 95399777 FWYMSPOYGQIPLO-CYBMUJFWSA-N 319.206 3.432 0 40 DGAB CC(C)Cc1nc2nccc(-c3ccc4c(c3)OCCCO4)n2n1 95478357 IEGIDVKQHRLJQV-UHFFFAOYSA-N 324.384 3.151 0 40 DGAB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cnc2[nH]nc(C)c2c1 95436781 JIBJDQZYPVCNKO-QMMMGPOBSA-N 313.361 3.003 0 40 DGAB Cc1ccc2cccc(OC[C@H](O)COCc3ccco3)c2n1 95439033 GJBSJUZNWOQZJG-OAHLLOKOSA-N 313.353 3.093 0 40 DGAB C[C@@H](CCn1cncn1)N[C@@H]1CC2(CCC2)Oc2ccccc21 95423612 IQYVQRDZUCEHPL-GOEBONIOSA-N 312.417 3.093 0 40 DGAB Fc1ccc2c(c1)[C@H](NC[C@@H]1CCN(CC(F)(F)F)C1)CC2 95420502 MCUDZEFXZRTGBE-XHDPSFHLSA-N 316.342 3.287 0 40 DGAB Cc1nc(CNC(=O)N[C@H](c2cccs2)C(C)(C)C)no1 73756960 IRIUAACSLPYMBV-GFCCVEGCSA-N 308.407 3.026 0 40 DGAB CC[C@H](N[C@@H]1CCCN(c2ccccc2OC)C1)[C@@H]1CCOC1 95968134 GAGWBBBUQOSSBC-ZACQAIPSSA-N 318.461 3.069 0 40 DGAB O[C@@H](COCc1cccs1)Cn1ccnc1-c1ccccc1 75144133 JNYJJKLYRCWSEQ-OAHLLOKOSA-N 314.410 3.189 0 40 DGAB Cc1ccsc1-c1nn2c(-c3snnc3C)nnc2s1 79474043 IPUJECOPMFRFNJ-UHFFFAOYSA-N 320.428 3.050 0 40 DGAB Cc1ccc2cc3c(nc2c1)OCC(=O)N(Cc1ccccc1)C3 72341547 DNYXKVDOFAWENI-UHFFFAOYSA-N 318.376 3.464 0 40 DGAB COc1ccc(C)cc1CCNC(=O)c1c[nH]c2ccccc12 32744855 UEIRFGVQNVQEMK-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1cc(Br)c(F)cc1F 188142035 OHJWFBATXRIRFE-ZETCQYMHSA-N 320.133 3.235 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1C 30848154 PQXKPFOTIGGLPW-CQSZACIVSA-N 324.380 3.056 0 40 DGAB O=C(O)CSc1ncc(-c2ccc(Br)cc2)[nH]1 73667762 NSYCKYSMGJIBPT-UHFFFAOYSA-N 313.176 3.016 0 40 DGAB O=S(=O)(Oc1ccccn1)c1ccc(Cl)cc1Cl 41095775 PIXNQNVMWOZEJU-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB O=C(O)c1ccc(CN2CCO[C@H](c3cccc(F)c3)C2)s1 567173378 XZVZMLQPSDEQIB-AWEZNQCLSA-N 321.373 3.159 0 40 DGAB CCc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1 228937472 FVWPKZXUPWNBTM-UHFFFAOYSA-N 322.416 3.057 0 40 DGAB CCOc1ccc(CNC(=O)CCc2ccc(OC)cc2)cc1 225315130 VSRLWJPJMUFNHQ-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB Cc1cccc(COC(=O)c2snnc2-c2coc(C)n2)c1 223861492 KQHVLAMAFYIQKF-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB COCCOc1ccc(NC(=O)N[C@H](C)c2cccs2)cn1 61578442 CQMIARZVXHJWOX-LLVKDONJSA-N 321.402 3.051 0 40 DGAB C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1ccsc1 89595219 COOVPPLXMGZSFU-OAHLLOKOSA-N 308.491 3.434 0 40 DGAB CNC(=O)[C@@H]1CCCC[C@@H]1N[C@@H](c1ccccc1)c1ccccn1 195553834 DXCXTBREVZEQFX-AOIWGVFYSA-N 323.440 3.065 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)Nc1ccnn1C(C)C 96433796 HZZYUHRQWDVJPC-NSHDSACASA-N 320.368 3.494 0 40 DGAB Cc1ccc(Oc2ccc(NCC(=O)NCC3CC3)cc2)nc1 96427536 ZXQKYTDFLLLHPB-UHFFFAOYSA-N 311.385 3.120 0 40 DGAB CCNc1ncc(C(=O)N(C)CCc2ccccc2F)s1 95429495 KHLAGIAPDCXWJX-UHFFFAOYSA-N 307.394 3.029 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CCC[C@@H](CO)C1 96435325 GWGHYIMQRDXPLZ-OAHLLOKOSA-N 320.433 3.156 0 40 DGAB O[C@@H]1CCCC[C@@H]1CCCNc1nnc(C(F)(F)F)s1 97099701 DPBLDDRGVUDWHK-RKDXNWHRSA-N 309.357 3.300 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2sccc2C)C1 257335714 YLNOPQNPQBSKKB-CYBMUJFWSA-N 303.431 3.183 0 40 DGAB Fc1ccc(OC[C@H]2CCCO2)c(-c2cn3c(n2)CCC3)c1 585120270 CTGJIUMYZQUHMS-CYBMUJFWSA-N 302.349 3.193 0 40 DGAB CC1=NO[C@@H](c2nc(-c3ccc(Br)cc3)no2)C1 585133723 SBJLHIVRLBWNRR-SNVBAGLBSA-N 308.135 3.336 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251225275 OKLADSGWKVVMSH-WRFANHODSA-N 303.402 3.157 0 40 DGAB CCN1C(=O)CC[C@]12CCCN(Cc1cccc(F)c1)CC2 585100835 YMGBZGXJAIDILK-SFHVURJKSA-N 304.409 3.193 0 40 DGAB Cc1cc(NC(=O)NCc2cccc(Cl)c2)ccc1C(N)=O 69419431 LKXYFRDOSDJFGZ-UHFFFAOYSA-N 317.776 3.069 0 40 DGAB C[C@@H]([C@@H](C)NCc1cc(-c2cccs2)on1)n1cccn1 69951939 GZXQZTSIHYYUKQ-NEPJUHHUSA-N 302.403 3.339 0 40 DGAB O=C(NCCC[C@@H]1CCCC[C@@H]1O)[C@H]1C[C@H]1c1ccc(F)cc1 89783273 PAJGQGPBUKNUFL-DKIMLUQUSA-N 319.420 3.377 0 40 DGAB O=C(O)CN1CCC(CCc2ccccc2C(F)(F)F)CC1 89813893 IUNGGZFMSOGTLB-UHFFFAOYSA-N 315.335 3.435 0 40 DGAB c1ccc(Cn2ncc3cc(-c4nc(C5CC5)no4)cnc32)cc1 89840968 LXCCWMUTXVKMRU-UHFFFAOYSA-N 317.352 3.407 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Cc2ccoc2C(=O)O)cc1 36926478 PIGWWANWXJCAGN-UHFFFAOYSA-N 308.355 3.075 0 40 DGAB in-vitro Cc1nn(C[C@H](O)c2cccc(F)c2)c(C)c1Br 95438749 RGRJOPWUZDFPPH-LBPRGKRZSA-N 313.170 3.135 0 40 DGAB CC(C)CC[C@H](C)NC(=O)CCNC(=O)c1ccc(Cl)cc1 15307284 MTTDVVJKDNBPQW-ZDUSSCGKSA-N 324.852 3.401 0 40 DGAB CCn1nccc1-c1cc(N[C@@H](C)c2ccccn2)nc(C)n1 19655703 DJOWHLHHWLLVII-LBPRGKRZSA-N 308.389 3.237 0 40 DGAB COc1ccccc1NC(=O)c1cnn(-c2ccccc2)c1F 4348104 MKAAYLNCAHTEGD-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB Cc1nc(C)c(CN2CCC(N(C)c3ccccn3)CC2)s1 1889090922 CZVMHXARCKEJCA-UHFFFAOYSA-N 316.474 3.256 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N(Cc1cccs1)C1CC1 32778060 APYADVRPXAMCDS-UHFFFAOYSA-N 311.403 3.241 0 40 DGAB CCOc1ccc(-c2cccc(NC(=O)c3ccco3)c2)nn1 4939990 TVFUZSKFLVWFQE-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 5439710 QGNMPOBJRBMFOZ-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB Cc1cc(C)cc(NC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 49002186 VCHBOOOCQSQGJU-UHFFFAOYSA-N 307.353 3.101 0 40 DGAB CCCC(C)(C)NC(=O)CCc1ccc(OC)c(OC)c1OC 50496753 UXUZBIFTHPCIBH-UHFFFAOYSA-N 323.433 3.340 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)Nc2ccc(C)cc2)cc1 130682 ZSUZFLBVMWPAAQ-FMIVXFBMSA-N 309.365 3.499 0 40 DGAB Cc1csc(CNC(=O)c2cc(-c3ccccc3F)on2)n1 40512467 GSFVOYXAXDMJNK-UHFFFAOYSA-N 317.345 3.176 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2C)cc1 384999 DICBHALEVLQESS-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Cl)c1 32579458 XACNOHYJKZQPRM-MRVPVSSYSA-N 316.760 3.331 0 40 DGAB CC(=O)c1sc(NC(=O)COc2cccc(C)c2C)nc1C 151740 NRGNWKSBARHHJS-UHFFFAOYSA-N 318.398 3.288 0 40 DGAB CCO[C@H]1C[C@@H](N(C)C(=O)c2c(C)noc2C)C12CCCC2 76019465 LRDQHTIVBKKWMP-KGLIPLIRSA-N 306.406 3.101 0 40 DGAB Cc1cc(CS[C@H](C)C(=O)NCCc2ccc(F)cc2)on1 78555626 KFXGTRGIYHBDPI-GFCCVEGCSA-N 322.405 3.103 0 40 DGAB Cc1nc2c3ccccc3nc(SCc3ccncc3)n2n1 424907 MEUJDWDBWQKIQM-UHFFFAOYSA-N 307.382 3.273 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)N[C@H](C)c1ccccc1 3057469 NPXCLVIWZHBKKF-CABCVRRESA-N 304.434 3.196 0 40 DGAB COc1ccc2cc(CN[C@@H]3CCCC[C@H]3C)c(=O)[nH]c2c1 4130510 XRNWYVIHEPPHAR-MLGOLLRUSA-N 300.402 3.205 0 40 DGAB COc1ccc([C@@H](N)CCc2cccc(OC)c2OC)cc1 6484486 BNXPPYKNSVMIIN-INIZCTEOSA-N 301.386 3.345 0 40 DGAB CC(C)C(=O)NCCc1nc2ccccc2n1Cc1ccccc1 560852 PLVHBPQEZFHCER-UHFFFAOYSA-N 321.424 3.399 0 40 DGAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@@H]1CCCC[C@H]1C 7553261 XFAYCURSJBVIJG-GQRJPGBNSA-N 321.442 3.388 0 40 DGAB Cc1c(CN(Cc2ccc(F)cc2)C[C@H]2CCCO2)cnn1C 57811078 NILWNZSWJCWNDC-GOSISDBHSA-N 317.408 3.049 0 40 DGAB O=C(NCCc1nc2cc(F)ccc2[nH]1)c1ccccc1Cl 12129119 NXGYPZSJTJYILP-UHFFFAOYSA-N 317.751 3.328 0 40 DGAB CC[C@@H](Nc1cc(C)ccc1OC)C(=O)Nc1cc(C)on1 22356394 YJPXEMQYKCOLPJ-GFCCVEGCSA-N 303.362 3.129 0 40 DGAB O=C(NCCc1cccs1)c1cn2cc(Cl)ccc2n1 12323609 HJSNFADBFSUWFV-UHFFFAOYSA-N 305.790 3.022 0 40 DGAB Cc1nc(-n2cccc2)sc1C(=O)N1CCc2ccccc21 12321576 MFKNMPRPEOSOKF-UHFFFAOYSA-N 309.394 3.445 0 40 DGAB COC(=O)CCN(C(=O)c1ccc(C)o1)c1ccccc1C 97139712 ZCLUWXVBMXFDAK-UHFFFAOYSA-N 301.342 3.106 0 40 DGAB c1cc(Cn2cccn2)cc(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)c1 108462261 PDUZPVDOUQGIPU-KZNAEPCWSA-N 309.413 3.301 0 40 DGAB Cn1ccnc1[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccccc1F 44890288 OEYCVMYRUCFGHS-CZUORRHYSA-N 313.376 3.121 0 40 DGAB C[C@H](NC(=O)c1cc(F)ccc1F)c1ccc2c(c1)OCO2 28306040 RCIJHUMYUFXEIL-VIFPVBQESA-N 305.280 3.185 0 40 DGAB CC[C@@H](SC[C@@H](O)c1ccccc1)C(=O)Nc1cc(C)on1 58420937 BUODRHRZCREULC-ZIAGYGMSSA-N 320.414 3.167 0 40 DGAB O=C(NCCCCOc1ccc(Cl)cc1)c1cccnc1O 11085313 CSZOKFBXFWXBSI-UHFFFAOYSA-N 320.776 3.030 0 40 DGAB CC1CCC(NC(=O)c2cnc3c(cnn3C(C)C)c2)CC1 12756013 UYDKWMKXOIACDA-UHFFFAOYSA-N 300.406 3.321 0 40 DGAB Cc1cnc(NC(=O)CCCc2nc3ccccc3[nH]2)s1 29260263 ZEZKAVDKQMCEEV-UHFFFAOYSA-N 300.387 3.289 0 40 DGAB CC(=O)c1cccc(NC(=O)CSc2nc(C)cs2)c1 3413797 OROZSFVYOSWPFB-UHFFFAOYSA-N 306.412 3.385 0 40 DGAB Cc1nn(CCC(=O)n2cnc3ccccc32)c(C)c1Cl 8714512 UUAGJDWQDSNJKW-UHFFFAOYSA-N 302.765 3.234 0 40 DGAB Cc1cc(F)ccc1NC(=O)CCCNC(=O)c1ccsc1 12997649 MCNMEQQPLPFGKK-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB COc1ccccc1[C@H]1C[C@H](c2ccccc2)Nc2ncnn21 13127499 IMAZCCKGMHERPG-HZPDHXFCSA-N 306.369 3.433 0 40 DGAB O=C(c1ccc(Br)o1)N1CCC[C@H]1c1ccccn1 48926480 KNZYGKAWAREQHT-NSHDSACASA-N 321.174 3.414 0 40 DGAB O=C(Nc1cccc(-c2cnco2)c1)c1cn2ccccc2n1 65158579 KWQVTGYXHVNVNN-UHFFFAOYSA-N 304.309 3.242 0 40 DGAB Cn1c(SCCc2ccccc2)nc2ccsc2c1=O 9048886 HWQKQEGHHJRDRN-UHFFFAOYSA-N 302.424 3.330 0 40 DGAB CC(C)c1ccccc1NS(=O)(=O)c1cccc(C(=O)O)c1 7056163 TYKCPRMAOZYIQP-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB O=C(N[C@H]1C[C@@H]1c1ccccc1)N1CCc2ccc(O)cc2C1 67617549 JFPNXFBRQCAICQ-MSOLQXFVSA-N 308.381 3.016 0 40 DGAB COc1ccc(CN(C)CC(=O)Nc2c(C)cccc2C)cc1 7653055 UNKHMQAREMOYGZ-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB CCc1cccc(OCCn2nnc(-c3ccc(C)cc3)n2)c1 8073594 URGVYNXKHPBYOM-UHFFFAOYSA-N 308.385 3.290 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(C(N)=O)c2C)c1 69419096 KDOPLXZKVFMMDI-JKSUJKDBSA-N 308.381 3.145 0 40 DGAB O=C([C@@H](Nc1ccc2c(c1)OCO2)c1ccccc1)N1CCCC1 9549584 CQTYYGXBWCOZMA-SFHVURJKSA-N 324.380 3.191 0 40 DGAB Cc1ccccc1OCn1ccc(C(=O)N2CCC[C@H](C)C2)n1 27972252 KQUSDVGERDIEJT-AWEZNQCLSA-N 313.401 3.100 0 40 DGAB Cn1cc(CNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)cn1 71896069 YEEITDYGIVJTQL-VXGBXAGGSA-N 324.211 3.147 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1cc(Cl)c2c(c1)OCO2 71804305 GNZABVAOZKBGRU-SECBINFHSA-N 323.801 3.491 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3ccccc3Cl)n2)cc1 19910663 PDBGDVIREKCAMD-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1cccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)n1 97200859 ZDNMQMXEOXFFHU-HNNXBMFYSA-N 322.412 3.465 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)Cc2cccnc2)n1 72275560 HRIOHWXKUOAXMW-AWEZNQCLSA-N 301.415 3.143 0 40 DGAB CC1(c2nnc(-c3cc(-c4ccccc4)n[nH]3)o2)CCOCC1 72273534 OKKLCUSONVZAFU-UHFFFAOYSA-N 310.357 3.195 0 40 DGAB Cc1ccc(CCC(=O)NCc2ccc(CO)c(F)c2)c(C)c1 95373542 FBOLEZJWPKWJIV-UHFFFAOYSA-N 315.388 3.184 0 40 DGAB Cc1nn(C)cc1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C 95455931 WFTSTAPAOCKVST-JQWIXIFHSA-N 301.365 3.016 0 40 DGAB CN(Cc1nccs1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 74847015 HZHBQDWCAUXQQI-VHSXEESVSA-N 321.368 3.406 0 40 DGAB COc1ccc(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)cc1 75139445 OKGAYMUNRZVWOL-RDJZCZTQSA-N 318.417 3.243 0 40 DGAB COC(=O)[C@@H](C)CC(=O)N(c1ccc(C)cn1)C1CCCCC1 89652288 PURTXAHJJPEHIL-AWEZNQCLSA-N 318.417 3.255 0 40 DGAB O[C@@H](C[C@@H]1CCCN1Cc1ccncc1Cl)c1ccco1 89794408 CLXYPTVPUZKBPA-ZFWWWQNUSA-N 306.793 3.416 0 40 DGAB Cc1csc2nc(-c3cncc(Br)c3)[nH]c(=O)c12 89708863 GOCUMMIXTDHFPV-UHFFFAOYSA-N 322.187 3.118 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCCO3)C1=O 409009793 IDFJSSWNXWCYSD-RSYJBZMQSA-N 319.382 3.293 0 40 DGAB CC1=NN(C(=O)C(C)C)[C@H](C(C)(C)C(=O)O)c2ccccc21 38337599 WDRFNEMLAKPGTP-AWEZNQCLSA-N 302.374 3.061 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1cccc(Cl)c1 72227976 WEZSOCJZLLOQNL-ZIAGYGMSSA-N 307.180 3.409 0 40 DGAB CC(C)N1CCC[C@H](c2cc(C(F)(F)F)nc3nccn23)C1 72367731 HRSKUXJPFMWQGC-NSHDSACASA-N 312.339 3.336 0 40 DGAB CCc1nnc(NC(=O)Cn2ccc3ccc(Cl)cc32)s1 31807358 AULFHJNOKGZIJE-UHFFFAOYSA-N 320.805 3.347 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccc(-n2ccnc2)cc1 30867350 ALDXKMDYDKBOAJ-DHZHZOJOSA-N 303.365 3.202 0 40 DGAB C[C@@]1(C(=O)O)CC(c2ccc(OCc3ccccc3)cc2)=NO1 71981013 ZWMKRMBBUSNTFX-SFHVURJKSA-N 311.337 3.233 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2c(C)nc3ccc(C)cn23)cc1 223148992 UISMRLPBUAKNKJ-ZDUSSCGKSA-N 323.396 3.451 0 40 DGAB O=C(c1ccc(F)c(F)c1)c1ccccc1CN1CCOCC1 43211496 RYQAPUHUKQCXLZ-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB O=C(CN1CCC[C@H]1c1ccccc1)NCc1ccc(F)cc1 10339681 CBUUGUSRWFJIRE-SFHVURJKSA-N 312.388 3.279 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc(F)cc2)c(OC)c1 44845311 GADSKEBSJACJRW-UHFFFAOYSA-N 304.321 3.165 0 40 DGAB Cc1cccc(Cl)c1CN1CC[C@](C(=O)O)(C(F)(F)F)C1 576762321 XKFRFBSHKWZWPN-ZDUSSCGKSA-N 321.726 3.487 0 40 DGAB CC1CCN(C(=O)[C@H](C)[S@](=O)C/C=C/c2ccccc2)CC1 96448050 GKINFMRUDGXNOL-AWIUXDOJSA-N 319.470 3.096 0 40 DGAB CC(C)(C)OC(=O)NCC[C@@H]1CCN(Cc2ccccc2)C1 95080826 XZRJUWDOUWQDRA-MRXNPFEDSA-N 304.434 3.423 0 40 DGAB CC(C)c1ncncc1C(=O)N1CCN(C2CC2)c2ccccc21 426340846 WMUZYTOIAQJHKW-UHFFFAOYSA-N 322.412 3.229 0 40 DGAB CO[C@H]1CCN(Cc2cc(C)on2)C[C@@H]1Cc1ccccc1 96110495 JSYRYJPDHROWCR-WMZOPIPTSA-N 300.402 3.063 0 40 DGAB O=C(Cc1cccs1)N1CCC2(CCCN2CC2CC2)CC1 96227897 IRTGMFRRQNTVCA-UHFFFAOYSA-N 318.486 3.158 0 40 DGAB C[C@H](Cc1ccsc1)N[C@H]1CCN(c2ncccc2F)C1 96479259 YCZZTXWXIUSYNV-OCCSQVGLSA-N 305.422 3.082 0 40 DGAB c1cncc(CN2CCCC[C@@H]2c2nnc(-c3cccnc3)o2)c1 257291147 QFVNEEJZWRQWIR-MRXNPFEDSA-N 321.384 3.254 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc(N3CCCC3)cc2)n1 257235069 GWHJVQFFZXZRPK-KRWDZBQOSA-N 324.428 3.296 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257295236 QXNSQRQKNBPYSK-CQSZACIVSA-N 323.387 3.317 0 40 DGAB O=C(Nc1c(F)cccc1F)N1CCn2nc(C3CC3)cc2C1 390831872 VPMFLOLRLWQKEJ-UHFFFAOYSA-N 318.327 3.086 0 40 DGAB CC(C)CNC(=O)c1ccc(NC(=O)NCC2CC2)cc1Cl 48141605 PGKMSYIKBAHRAC-UHFFFAOYSA-N 323.824 3.257 0 40 DGAB CS[C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2n1C 56132563 IMJTUCGQUVUBLH-DOMZBBRYSA-N 317.458 3.378 0 40 DGAB C[C@H](Sc1nncs1)C(=O)NC1(c2ccccc2)CCC1 55077378 DDXDCTPNNPHFRS-NSHDSACASA-N 319.455 3.214 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)SCc1cc(C)no1 56229830 LSGLPORMAHVHLG-LLVKDONJSA-N 306.387 3.252 0 40 DGAB Cc1cc(NC(=O)OCC(F)(F)F)n(Cc2ccccc2)n1 62149311 ONGXOUYTWKVICF-UHFFFAOYSA-N 313.279 3.351 0 40 DGAB in-vitro COCCSc1ccc([C@H](C)NC(=O)Nc2cn[nH]c2)cc1 69570635 SPGXEOLZRASJHT-NSHDSACASA-N 320.418 3.031 0 40 DGAB O=C(NCC[C@H](O)c1ccco1)C12CC3CC(CC(C3)C1)C2 77110990 XEJQSOIIXZRGNS-URZJAHPPSA-N 303.402 3.036 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)cc1 585234249 AYNZXUCHABHDTR-MRXNPFEDSA-N 324.428 3.203 0 40 DGAB CCSc1nnc(NC(=O)COc2cc(C)ccc2C)s1 5443210 JVGISLULDVDPNT-UHFFFAOYSA-N 323.443 3.284 0 40 DGAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1ccc(Cl)cc1 5634301 KNUXTPKURBXHJX-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB O=C(Cc1ccc2c(c1)CCO2)NC12CC3CC(CC(C3)C1)C2 12617125 IPPLYAXKGWPRAJ-UHFFFAOYSA-N 311.425 3.249 0 40 DGAB O=C(CSc1nnc(-c2cccnc2)o1)c1ccccc1F 21143221 XRNLYXMTNIIYHJ-UHFFFAOYSA-N 315.329 3.246 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@H]2COC3(CCCCC3)O2)c1 38790684 IRUCICTUGNEYLP-INIZCTEOSA-N 303.402 3.109 0 40 DGAB Cc1c(C(=O)C(=O)N(C)Cc2ccccc2)c2ccccc2n1C 4062381 MYYSFHVQZJDWGS-UHFFFAOYSA-N 320.392 3.328 0 40 DGAB O=C(c1nc(-c2ccccc2)n(-c2ccccc2)n1)N1CCCC1 8190017 SYMIOKDFYCJDAF-UHFFFAOYSA-N 318.380 3.170 0 40 DGAB C[C@@H](O)CNCc1ccc(OCc2ccccc2)c(Cl)c1 10474589 WLAINKHYRWQQTH-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB CCC[C@@H](NC(=O)NCc1ccnc(OC)c1)c1ccccc1 40071114 IEOHJOVNIGSBAV-MRXNPFEDSA-N 313.401 3.431 0 40 DGAB O=C1CC2(CCCCC2)C(=O)N1C[C@H](O)c1ccc(Cl)cc1 40050614 RUXSZVBJRDPXKS-AWEZNQCLSA-N 321.804 3.083 0 40 DGAB Cc1cnc(NC(=O)CCCc2nc(C(C)(C)C)no2)s1 31228208 AHPPZJVWVDBVKS-UHFFFAOYSA-N 308.407 3.093 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1cn2cccnc2n1 52282093 CVHWBIRTKCIGPC-GFCCVEGCSA-N 320.352 3.309 0 40 DGAB Cc1cc(C)c(CN2C(=O)N[C@](C)(c3ccco3)C2=O)c(C)c1 60102908 BRKPVOMVTGMZJR-GOSISDBHSA-N 312.369 3.172 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccco1)c1ccc(SC)cc1 69508762 SBKMXUKTWDVOEO-ZDUSSCGKSA-N 319.382 3.036 0 40 DGAB O=Cc1ccc(OC(=O)c2ccc(Br)cc2)cc1 53880 HDWKZYMDAIYCIM-UHFFFAOYSA-N 305.127 3.481 0 40 DGAB Cc1nc(N2C[C@@H](C)O[C@H](C)C2)c2c3c(sc2n1)CCCC3 2608260 HMFBMXWUSIKGNT-GHMZBOCLSA-N 317.458 3.492 0 40 DGAB Cc1ccc(OCCCn2ncc3ccccc3c2=O)cc1C 46485902 YTBIXDVUVPXFFP-UHFFFAOYSA-N 308.381 3.482 0 40 DGAB Cc1ccc2cc(C(=O)N3CCCC[C@@H]3Cn3cccn3)[nH]c2c1 69971812 HFQFISSOANOQOA-MRXNPFEDSA-N 322.412 3.368 0 40 DGAB Nn1c(-c2ccc(Cl)c(Cl)c2)nc2ccccc2c1=O 1572909 HNLHOZIWSFSNLZ-UHFFFAOYSA-N 306.152 3.084 0 40 DGAB O=C1C(c2ccc(Br)cc2)=[N+]([O-])c2ccccc21 1618484 BHXMNNKOGJBVFU-UHFFFAOYSA-N 302.127 3.277 0 40 DGAB COC(=O)c1ccccc1N(C)C(=O)Nc1ccc(F)cc1 1752599 OQEFVNLUWNEMIK-UHFFFAOYSA-N 302.305 3.281 0 40 DGAB CC(C)CCC(=O)OCCNc1ccc(C(F)(F)F)cn1 79110395 PTTYQMNUZDIMHX-UHFFFAOYSA-N 304.312 3.492 0 40 DGAB Clc1ccc(N2CCN(c3ccccc3Cl)CC2)nn1 21658422 CCTPRRXZGMJNLD-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](N(N=O)c3ccc(C)cc3)C2=O)cc1 102509809 RHFTVVFGOPUQRL-MRXNPFEDSA-N 323.352 3.123 0 40 DGAB COC(=O)c1ccc(CSc2nc3ccc(OC)cc3[nH]2)o1 3533617 CRXLXUZGVWVFGC-UHFFFAOYSA-N 318.354 3.243 0 40 DGAB COc1ccc(NC(=O)CCc2ccc(OC)c(OC)c2)cc1 3548147 GJSCBAZITYKWIU-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB Cc1cscc1C(=O)N(C[C@@H]1CCCO1)[C@H]1CCSC1 84271477 MIGMMVUGYACSMA-STQMWFEESA-N 311.472 3.183 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)[C@H](C)OCC(F)(F)F 32924225 PDIIWXNHJBVLDG-MNOVXSKESA-N 319.323 3.148 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(O)CC1 33040074 JUXKHCAKAWBLFY-HNNXBMFYSA-N 324.424 3.137 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 102985299 VWCQAZFZWPMLER-DSIZOQBWSA-N 323.392 3.343 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2ccc(OC)cc2)cc1 568677 ZMSHKHDCWPZLPC-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB O=C(c1cccc(F)c1)N1CCC([C@H](O)c2ccccc2)CC1 23384226 SQZSOEWWPYDELV-GOSISDBHSA-N 313.372 3.412 0 40 DGAB C[C@]12CO[C@]3(C(=O)Nc4ccc(Cl)cn4)C[C@H]1CC[C@@]23C 100983363 ZGARUBWYPAYASO-BWAGICSOSA-N 306.793 3.269 0 40 DGAB CN1CCc2nc3ccccc3c(C(=O)Oc3ccccc3)c2C1 23844398 AKYBKKFRTBDLTH-UHFFFAOYSA-N 318.376 3.442 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccsc2)c1 24342184 NAOIIDOCTVXPGU-LLVKDONJSA-N 305.399 3.185 0 40 DGAB COC1CCN(C(=O)CCc2ccc(-c3ccccc3)[nH]2)CC1 55633379 QLDAYIDQHGWTPK-UHFFFAOYSA-N 312.413 3.252 0 40 DGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@@H]1C[C@H]2CC[C@H]1O2 107143908 YDGDIQIYIFGTQP-XNRPHZJLSA-N 318.804 3.048 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1c(F)cccc1F 12542310 FWXLLIIFQCZNDJ-NSHDSACASA-N 302.324 3.355 0 40 DGAB C[C@H](NC(=O)[C@H]1CCOC1)[C@@H](C)c1ccccc1C(F)(F)F 108366562 BFCCLRDASYFXPV-WOPDTQHZSA-N 315.335 3.350 0 40 DGAB Cc1cccc(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)c1C 101749698 VAKLKLKPGNNVLR-HGDXVPPDSA-N 311.381 3.011 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2onc3c2CCCC3)c1 27579819 AZMRZIWDAUYVOV-UHFFFAOYSA-N 300.358 3.188 0 40 DGAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1cccc(Cl)c1 101276715 XPDOTBWDHBOFMA-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB COc1ccccc1-n1cnnc1SCCc1ccncc1 58012825 QTYXLZXMJZJKQC-UHFFFAOYSA-N 312.398 3.006 0 40 DGAB COc1cccc(NC(=O)NCCCN2CCCCCC2)c1 53964995 RAXDRBBJGOWEKT-UHFFFAOYSA-N 305.422 3.083 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1cc2ccccc2o/c1=N\O 67350819 ZNCATKYDCYJSOX-SILNSSARSA-N 316.263 3.253 0 40 DGAB CCc1cccc2c(C(=O)COC(=O)c3ccccn3)c[nH]c12 3354821 ZSYKYLVUHJJFDL-UHFFFAOYSA-N 308.337 3.165 0 40 DGAB COc1ccccc1NS(=O)(=O)c1cc(C)c(C)cc1C 28463998 BJLHBMRCCBZTJQ-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NCCCc2ccccc2)cc1 11558000 RXEVELHGCPMKEA-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)Nc1ccccn1 45934069 VYNQWBOAHLKBRI-UHFFFAOYSA-N 312.373 3.120 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1ccccc1N(C)C 46003759 XQWDLPWAARQJFK-YOEHRIQHSA-N 319.449 3.469 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 69779537 WCPOQABCTBXGRP-CYBMUJFWSA-N 316.430 3.003 0 40 DGAB CC(C)n1ccnc1[C@@H]1CN(C(=O)C2CC2)Cc2ccccc21 306123214 AHIOIKZDCOYDRY-QGZVFWFLSA-N 309.413 3.348 0 40 DGAB CC(=O)c1ccc(O[C@H](C)C(=O)NCC2CCCCC2)cc1 3452922 HONNZTBJMORNAO-CQSZACIVSA-N 303.402 3.353 0 40 DGAB COc1ccc(CNC(=O)CCOc2cc(C)cc(C)c2)cc1 12918981 YHSSCMZDCPDHGG-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CCc1cccc(C)c1NS(=O)(=O)c1ccc(OC)cc1 3991757 AUPDQDJFKHHGQL-UHFFFAOYSA-N 305.399 3.367 0 40 DGAB COc1ccc([C@H](C)NC(=O)CC2(C(=O)O)CCCC2)cc1F 13469407 CCSFEQPUELHBSJ-NSHDSACASA-N 323.364 3.047 0 40 DGAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccc(F)cc1 5000824 MKSVYZGLNCEDAK-UHFFFAOYSA-N 316.357 3.231 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1CNC1CCC(O)CC1 39979578 YQRNZTZGBBPBFJ-UHFFFAOYSA-N 317.408 3.021 0 40 DGAB S=C(NC[C@@H]1CCCO1)Nc1ccc(N2CCCCC2)cc1 6332425 ACOYEKNJZNBRSG-INIZCTEOSA-N 319.474 3.142 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(F)c(F)c1F 6322619 CKRURWSSTFHDSU-UHFFFAOYSA-N 323.270 3.056 0 40 DGAB C[C@@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)c1ccccn1 65605369 KAENPHRASLRAFF-CYBMUJFWSA-N 320.396 3.186 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)cc1C 14218378 SEWZIEDOZNXYIR-UHFFFAOYSA-N 300.383 3.199 0 40 DGAB Cc1csc(=O)n1CC(=O)Nc1ccc(Cl)c(Cl)c1 6509213 NPARHJPCWNWCCD-UHFFFAOYSA-N 317.197 3.164 0 40 DGAB COc1ccc(N2C(=O)N(c3ccccc3)C(=N)C2=S)cc1 4648872 OKOOAWSEDDGVFM-UHFFFAOYSA-N 311.366 3.446 0 40 DGAB Cc1ccc2nc(NC(=O)CSc3nnc(C)o3)sc2c1 4668925 FXQQDFHCNLFNCS-UHFFFAOYSA-N 320.399 3.027 0 40 DGAB CCNc1nnc(SCc2ccc(C(=O)OC)cc2)s1 7245870 VHUCBEHCVJCEEB-UHFFFAOYSA-N 309.416 3.049 0 40 DGAB Cc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N2CCCC2)c1 15860213 SQHAXBPUIDOHPU-QGZVFWFLSA-N 312.413 3.463 0 40 DGAB Cc1nc(CNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cs1 15832218 AXSLEDLXZIAPIJ-JTQLQIEISA-N 324.833 3.497 0 40 DGAB COc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)cc1 7917486 BOCUHFVYOCZIEY-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB O=C(Nc1ccccc1F)N1CCC(OC[C@H]2CCCO2)CC1 81521402 GSYRQGHBVOQXHF-CQSZACIVSA-N 322.380 3.018 0 40 DGAB COc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 8287253 JZBQPMCWIQNZLB-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB C[C@]1(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1(Cl)Cl 69389398 FTVZCTVNXDNBHV-CQSZACIVSA-N 324.211 3.072 0 40 DGAB c1cc(CN2CCO[C@@H](c3ccco3)C2)cc(-n2cccn2)c1 93841195 FJEISJVBQRUXCA-GOSISDBHSA-N 309.369 3.039 0 40 DGAB Cc1cc(OCC(=O)N[C@@H](c2ccccc2)C2CCC2)no1 71847569 XDIIHXBJTAARLV-KRWDZBQOSA-N 300.358 3.019 0 40 DGAB COCc1cccc(C(=O)OCc2cc3ccccc3[nH]c2=O)c1 71904825 FWDSKISZKCACKA-UHFFFAOYSA-N 323.348 3.032 0 40 DGAB C[C@@H](NC(=O)N(C)[C@H](C)CO)c1cc(F)c(Cl)cc1Cl 97230487 CTTSBAZLRLAUKQ-HTQZYQBOSA-N 323.195 3.216 0 40 DGAB CCCCc1noc([C@@H](C)N2CCC(c3cn[nH]c3)CC2)n1 97203532 XDTOSQQDKUVSJA-GFCCVEGCSA-N 303.410 3.076 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N[C@H]2CCN(C(C)C)C2)c(C)s1 84081841 PHPHJYWSUBMQTR-OCCSQVGLSA-N 309.479 3.208 0 40 DGAB Cc1c(C(=O)NCC2(c3ccccc3)CCC2)ccc2cncn12 95465125 PGTUFSJAUCBGRM-UHFFFAOYSA-N 319.408 3.494 0 40 DGAB Cc1[nH]ncc1C(=O)N1CCC(Oc2ccccc2Cl)CC1 95436384 JBZLWDKAYWCFIB-UHFFFAOYSA-N 319.792 3.055 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(F)c1F 95977889 NZLBFUOHCURTHK-CYBMUJFWSA-N 305.328 3.282 0 40 DGAB CNC(=O)c1ccccc1OCc1ncc(Cl)cc1Cl 95990718 LHZRTHCBLOZOGB-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB Cc1nc(NC(=O)c2cnc3c(cnn3C(C)C)c2)sc1C 9953263 COXOTWXDFMPVID-UHFFFAOYSA-N 315.402 3.338 0 40 DGAB Cc1ccc(OC[C@@H](O)CNCCc2c[nH]c3ccccc23)cc1 89636937 GNAFJDPYGXBAQZ-KRWDZBQOSA-N 324.424 3.048 0 40 DGAB O=C(NCc1nnc(-c2ccccc2)s1)N1CCCCCC1 89853138 QKMOWQXAVCQOSP-UHFFFAOYSA-N 316.430 3.291 0 40 DGAB CC(C)CCn1cc(C(=O)N2CCSc3ccccc32)nn1 89821195 UZTUTHZGQFDSJZ-UHFFFAOYSA-N 316.430 3.077 0 40 DGAB CCCCC(=O)Nc1cc2nc(O)[nH]c2cc1N1CCCCC1 408534848 RMJOYRLRIYUUMA-UHFFFAOYSA-N 316.405 3.388 0 40 DGAB CC(=O)N1CC[C@@H](c2nc(C)cc(Oc3ccccc3F)n2)C1 72383534 WOLPXBRRZUIREA-CYBMUJFWSA-N 315.348 3.052 0 40 DGAB O=C(NCCc1ccc(F)cc1)NCCc1ccc(F)cc1 32862501 DZIUUNUPRGAYJB-UHFFFAOYSA-N 304.340 3.049 0 40 DGAB Cc1sc(=O)n(CCC(=O)Nc2cccc(F)c2C)c1C 73392442 MEJWCVKUYNREHB-UHFFFAOYSA-N 308.378 3.003 0 40 DGAB CC(C)Cc1noc(COc2ccc(NC(=O)C3CC3)cc2)n1 79089968 WHNLEKXYGDSSME-UHFFFAOYSA-N 315.373 3.196 0 40 DGAB Cc1c(-c2nc3cnccn3c2NCc2cccs2)cnn1C 72342000 SUKNSTAIKMYEGZ-UHFFFAOYSA-N 324.413 3.112 0 40 DGAB CCOc1ncc(C(=O)Nc2[nH]nc(C3CC3)c2C)cc1Cl 79000128 LOGGKJUDAVQJPT-UHFFFAOYSA-N 320.780 3.295 0 40 DGAB O=C(NCC1(O)CCCC1)Nc1ccccc1C(F)(F)F 44448550 SFIMFVKVJFLTLO-UHFFFAOYSA-N 302.296 3.132 0 40 DGAB O=C(O)C[C@@H](CC(=O)N1CCc2ccccc2C1)c1ccccc1 226750188 IUZSDAQNWBTRBT-GOSISDBHSA-N 323.392 3.220 0 40 DGAB CCc1ccc(CC(=O)NCCOc2ccc(F)cc2)cc1 225191164 RLOCDASWQRZVLK-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB Cc1cc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)ccc1F 225606017 YGXJEMIBBCRKBO-UHFFFAOYSA-N 323.433 3.381 0 40 DGAB CCOC(=O)c1ccc(OCc2nc(-c3ccco3)no2)cc1 44109144 JIRRILUPYLLLMQ-UHFFFAOYSA-N 314.297 3.085 0 40 DGAB CSC[C@@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 81435893 CFBXFKBRHIBCAE-CYBMUJFWSA-N 316.426 3.096 0 40 DGAB NC1CCC(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 95908575 PHFDCVDZTJXQDJ-UHFFFAOYSA-N 308.230 3.037 0 40 DGAB COC[C@@H]1CN(Cc2ccsc2)Cc2nn(CC3CC3)cc21 96060444 FBKBVQTYBIIYCC-HNNXBMFYSA-N 317.458 3.100 0 40 DGAB CC(=O)N1C[C@H](C)CN(C(=O)c2cccnc2C)c2ccccc21 96443233 OCFKVMPBKQMGIM-ZDUSSCGKSA-N 323.396 3.039 0 40 DGAB O=C(c1cc(F)cc(N2CCOCC2)c1)N1CCCCCCC1 585100511 ZNPUJCZWFYMTDF-UHFFFAOYSA-N 320.408 3.069 0 40 DGAB OC[C@H]1Cc2cccc(F)c2N(Cc2ncc(Cl)s2)C1 585116366 RYNPKGGCZHNDPX-VIFPVBQESA-N 312.797 3.107 0 40 DGAB CCN(C)[C@@H]1CN(C(=O)Cc2ccccc2)C2(CCCCC2)C1 257261902 LJFYRGNUJFDBPM-SFHVURJKSA-N 314.473 3.485 0 40 DGAB Cc1nonc1CS(=O)(=O)c1ccc(C2CCCCC2)cc1 585136734 QYESCJDXGGSAKE-UHFFFAOYSA-N 320.414 3.400 0 40 DGAB Cc1cc(C(=O)N2CCC(CSc3ccccn3)CC2)no1 85557590 AXNLJLFWJRRSBD-UHFFFAOYSA-N 317.414 3.023 0 40 DGAB COC(=O)CCCC(=O)c1cccc(OC(F)(F)C(F)F)c1 575360508 HWFUXSNFOLUZQO-UHFFFAOYSA-N 322.254 3.449 0 40 DGAB CCCC/C(O)=N/S(=O)(=O)c1ccccc1Br 48519610 GPRSTQJBOCPCKQ-UHFFFAOYSA-N 320.208 3.285 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H]1Cc1ccccc1 55456538 QJBCHPKTNZQPGO-KRWDZBQOSA-N 312.413 3.458 0 40 DGAB O=C(Nc1ccccc1)c1cccc(Cn2ccccc2=O)c1 54152571 HAYPGNNUVHACLI-UHFFFAOYSA-N 304.349 3.149 0 40 DGAB Cc1ccc(CN(C[C@H](O)c2ccc3c(c2)OCO3)C2CC2)o1 58202609 COFMQYMDCNMOPT-INIZCTEOSA-N 315.369 3.015 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2cccc(F)c2)c1C 58958709 DCIBUUZCYIAGFW-UHFFFAOYSA-N 302.349 3.118 0 40 DGAB CC(C)CCCCNC(=O)NCc1cc(=O)[nH]c2ccccc12 85407304 PZPVZEWIOYNKIJ-UHFFFAOYSA-N 315.417 3.154 0 40 DGAB Fc1ccc(/C=C/c2ccnc3nc(-n4cccc4)nn23)cc1 5670037 LCSQPLHFZYFXBX-VMPITWQZSA-N 305.316 3.225 0 40 DGAB CC(C)(C)c1[nH]c2ncccc2c1CN1CCC[C@H](CO)C1 12219883 WWQKBIWAJIGZDD-ZDUSSCGKSA-N 301.434 3.065 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1C 101276487 ABDYWYIDLZCOCG-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CC[C@@H](C(=O)N1[C@H]2CC[C@H]1CC(n1nccn1)C2)c1ccccc1 253473612 WRXYBJZUFXCAFB-XYJFISCASA-N 324.428 3.166 0 40 DGAB CC(=O)c1ccc(NC(=O)CCN2C[C@@H](C)C[C@H](C)C2)cc1 22197845 PYBDPZPOURMNON-KBPBESRZSA-N 302.418 3.196 0 40 DGAB c1ccc(-c2nn(-c3ccccc3)cc2CN2CCOCC2)cc1 23695661 ZTDNHRCQDUOFSA-UHFFFAOYSA-N 319.408 3.372 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4ncc(C)[nH]4)C3)coc2c1 2037677822 SUNFYDDYOAITRO-CQSZACIVSA-N 323.396 3.331 0 40 DGAB Cc1ccc(N(CN2CCCC2=O)C(=O)c2ccccc2)cc1 4137932 NCAJWWFWBGOMOP-UHFFFAOYSA-N 308.381 3.222 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)o1)c1ccsc1 1775965886 NSHKKEHUGJAMQE-NSHDSACASA-N 303.339 3.065 0 40 DGAB C[C@@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C 1849515 OWTCLFIFAFHQIX-ZDUSSCGKSA-N 300.427 3.255 0 40 DGAB in-vitro CC[C@@H](Nc1cc(C)cc(C)c1)C(=O)Nc1nnc(C)s1 7460344 DHCUYSPJYAHVSW-CYBMUJFWSA-N 304.419 3.293 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)c1cc(Cl)c[nH]1 40089202 NSLFWSSLKZBNMB-UHFFFAOYSA-N 317.570 3.296 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cc2ccccc2oc1=O 68163 GGVQZJOOYOZHDY-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB Cc1ccc2c(c1)S[C@H](C(=O)Nc1ccnn1C(C)C)C2 40485070 YGCIJEWNSIVRTL-AWEZNQCLSA-N 301.415 3.428 0 40 DGAB Cc1ccc(CNC(=O)C23C[C@H]4C[C@@H](CC(O)(C4)C2)C3)cc1F 102263286 WKWMGNMZDLCQMA-QAQJPARQSA-N 317.404 3.082 0 40 DGAB COc1ccc([C@H](C)N2CCC(CNC(C)=O)CC2)cc1Cl 69776226 SWVQAFMWIHFLHF-LBPRGKRZSA-N 324.852 3.258 0 40 DGAB Cc1sc2ncnc(OCC(=O)NC3CCCCC3)c2c1C 2619704 LZRBEDQJVKQIKL-UHFFFAOYSA-N 319.430 3.136 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023134 YSSKKAQFPMDKGZ-TZMCWYRMSA-N 322.405 3.011 0 40 DGAB O=C(O)/C(=C/c1c[nH]c2ccccc12)NC(=O)c1ccccc1 4712377 HVTVLGUFWNSGTG-YBEGLDIGSA-N 306.321 3.023 0 40 DGAB biogenic CC(=O)c1cnc2nc(SCc3ccc(C)cc3)nn2c1C 4992888 WICKLTAHPHDPPH-UHFFFAOYSA-N 312.398 3.236 0 40 DGAB COc1ccc(NC(=O)CNc2ccccc2Cl)c(OC)c1 6510628 UUKQMXQGTAVKES-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB CCCN1C(=O)/C(=N/Nc2ccc([N+](=O)[O-])cc2)c2ccccc21 6879410 HSYYNMISLRVZMP-KNTRCKAVSA-N 324.340 3.168 0 40 DGAB O=C(c1c[nH]cc1-c1cnn(-c2ccccc2)c1)N1CCCCC1 53057735 DIIFVDSCNYQSSZ-UHFFFAOYSA-N 320.396 3.494 0 40 DGAB CSc1nc2nc3c(cc2c(=O)n1-c1ccccc1)CCCC3 503839 LDCPJCROTVFHPZ-UHFFFAOYSA-N 323.421 3.381 0 40 DGAB COc1ccc2oc(C)c(C(=O)N3CCO[C@H]4CCC[C@H]43)c2c1 53385817 YOJAESHTIVLJEF-ZBFHGGJFSA-N 315.369 3.143 0 40 DGAB COc1ccc(/C=C/C(=O)NCCOc2ccccc2C)cc1 55954375 CRFODFUQLCZRGT-FMIVXFBMSA-N 311.381 3.212 0 40 DGAB Cc1cc(C(=O)N2c3ccccc3C[C@@H]2C)c2c(C)nn(C)c2n1 22972320 JFUSGBXVEPWRMJ-LBPRGKRZSA-N 320.396 3.177 0 40 DGAB O=C(Nc1nnc(-c2ccccn2)s1)NC1CCCCCC1 47789054 XTMLRCXKLVKWJK-UHFFFAOYSA-N 317.418 3.444 0 40 DGAB CC[C@@H](C)N(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 97175706 LVRNOJSPFQXPGM-CQSZACIVSA-N 322.412 3.350 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)cc1 12557009 BJUXTZRRHIIUTQ-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 110615908 YVZNXIOJZJIKAF-KKUMJFAQSA-N 319.449 3.061 0 40 DGAB O=C(NCc1cccc(Cn2ccnc2)c1)c1cccc(F)c1 24753989 FYBREHPSMGRRRC-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)c1cc(-c2ccco2)on1 24739819 OJUJSXSACHZYHJ-UHFFFAOYSA-N 322.280 3.237 0 40 DGAB COc1ccc2c(C)cc(SCC(=O)NCC(C)C)nc2c1 12511469 WIBVLDWDUDBULN-UHFFFAOYSA-N 318.442 3.416 0 40 DGAB Cc1nc(-c2ccc(CC(=O)Nc3cnn(C)c3)cc2)cs1 25310375 PWAHVERLYXQYII-UHFFFAOYSA-N 312.398 3.033 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2c(F)cccc2F)c1 20447837 XSFGNZNOCNKBBP-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB COc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H](C)C[C@H](C)C3)c2c1 107175348 BFSFLCZSBPOZMV-NVGCLXPQSA-N 316.401 3.280 0 40 DGAB CC(C)n1ncc2cc(C(=O)N(C)Cc3cccs3)cnc21 44893196 IYZXKDDSPYIJGZ-UHFFFAOYSA-N 314.414 3.346 0 40 DGAB C[C@@H](NC(=O)C1CCOCC1)c1ccc(OC(F)(F)F)cc1 58279742 HBNDGAJPLFFYAG-SNVBAGLBSA-N 317.307 3.189 0 40 DGAB C[C@H](Nc1cccc(C(N)=O)c1)c1nc(-c2cccs2)no1 58343056 CYUWWTCEKFSGAF-VIFPVBQESA-N 314.370 3.070 0 40 DGAB CC1=NN(c2ccc(C(=O)N[C@@H](C)c3ccccn3)cc2)CC1 58402019 XBCXHFQIZYGJOE-AWEZNQCLSA-N 308.385 3.159 0 40 DGAB Cc1cc(C)nc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)n1 27977097 OQDBZOZLFMCRSS-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB COc1cc(OC)cc(-c2nc(-c3ccccc3OC)no2)c1 2215008 XEQABDMFHRFHNU-UHFFFAOYSA-N 312.325 3.429 0 40 DGAB Cc1ccc2nc(CNc3ccc4oc(C)nc4c3)cc(=O)n2c1 12799202 LMUQNQCTHJUUBW-UHFFFAOYSA-N 320.352 3.065 0 40 DGAB O=C(NCCCCOc1ccccc1)c1ccc2[nH]cnc2c1 11079425 KFGJEIZFMNQSAP-UHFFFAOYSA-N 309.369 3.152 0 40 DGAB CN(C)CCNc1nc(-c2cccs2)cc(C(F)(F)F)n1 36613532 ZHHXVQHMFUDJSB-UHFFFAOYSA-N 316.352 3.197 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1)N(C)C3=O 2423157 KBOJLFODVJSBKX-INIZCTEOSA-N 305.333 3.276 0 40 DGAB CC(C)c1ccccc1NC(=O)CCNC(=O)Cc1ccccc1 12776960 XTQNVJSGCHBAAY-UHFFFAOYSA-N 324.424 3.498 0 40 DGAB Cc1nnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1 12801169 JZAVPHYETOMILG-UHFFFAOYSA-N 301.293 3.047 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccccc2Cl)n1 48406582 HNWOQWXMGMWQEV-NSHDSACASA-N 305.809 3.219 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)Nc1cccnc1OC 48414159 UUPOJKIXJAACBY-LBPRGKRZSA-N 315.373 3.324 0 40 DGAB CCCc1nc(-n2cccc2)sc1C(=O)NCc1ccco1 49549515 DGDHMIRMSPDLGS-UHFFFAOYSA-N 315.398 3.409 0 40 DGAB Cc1cc(C[S@](=O)Cc2cc(-c3ccccc3)on2)no1 64811421 LIDSPRQOGMQSQK-OAQYLSRUSA-N 302.355 3.087 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(Br)c(F)c1 49840788 PZLSCEOLKULLEO-UHFFFAOYSA-N 312.142 3.180 0 40 DGAB COc1ccc(NC(=O)CCOc2cc(C)ccc2C)cn1 6122786 HVJSSFVISRLBSM-UHFFFAOYSA-N 300.358 3.115 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1nc2c(s1)C[C@H](C)CC2 39975751 KKWSPNFKMBJHLK-SECBINFHSA-N 319.430 3.444 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Oc1ccc(C(N)=O)cc1 6290233 FHOXEVNMWMWRPC-GFCCVEGCSA-N 322.364 3.225 0 40 DGAB COc1cccc(C(=O)Nc2ccccc2N2CCCC2=O)c1 14181780 DBSGYMSOBPGGOK-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB O=c1[nH]c(CN2CCSc3ccccc32)nc2ccccc12 6549157 ZWXSWKHMHQNPTN-UHFFFAOYSA-N 309.394 3.035 0 40 DGAB Cc1sc2nc(-c3cccnc3)nc(SCCO)c2c1C 6510634 MJKYLAHLWBBLFY-UHFFFAOYSA-N 317.439 3.455 0 40 DGAB COc1cccc(CN2CCN(C[C@H]3CC=CCC3)CC2)c1 19359704 IUBBRIYVAISNSG-KRWDZBQOSA-N 300.446 3.169 0 40 DGAB Cc1ccc(SCCNC(=O)COc2ccccc2)cc1 4839024 GRINOGSNZSEDLO-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB CCc1ccc(Nc2nn[nH]c2C(=O)NCc2ccccc2)cc1 67283476 XGXQHXZXWAZFOC-UHFFFAOYSA-N 321.384 3.041 0 40 DGAB COc1ccc2c(CC(=O)N[C@H](C)c3cccnc3)coc2c1 7180373 WFFCNVQMFDHEDN-GFCCVEGCSA-N 310.353 3.256 0 40 DGAB CC(C)NC(=O)Cn1c(NCc2ccccc2)nc2ccccc21 7989849 ZRXKNZGGAJQYKS-UHFFFAOYSA-N 322.412 3.173 0 40 DGAB CSC[C@@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 91058650 ZOGRGPUPUOXVKU-GFCCVEGCSA-N 315.442 3.037 0 40 DGAB NS(=O)(=O)c1ccc(Sc2ccc3ccccc3c2)nc1 8026512 KVJQJBDKJVRQIF-UHFFFAOYSA-N 316.407 3.033 0 40 DGAB O=C(NC[C@H](O)C1CCCCC1)Nc1cccc2cnccc12 69221290 MVFSAOXQASYLSI-KRWDZBQOSA-N 313.401 3.298 0 40 DGAB CC(C)c1ccc(CCC(=O)N2CCCN3CCC[C@H]3C2)cc1 69434312 LHSQRPYCBXQDGP-IBGZPJMESA-N 314.473 3.439 0 40 DGAB COCCn1cnnc1SCc1csc2ccccc12 69439496 QFHOZHDTWKAQNY-UHFFFAOYSA-N 305.428 3.432 0 40 DGAB O=C(/C=C/c1cccc(-c2ccccc2)c1)NCC1=COCCO1 72301379 UAJIXJSTOIUYLN-MDZDMXLPSA-N 321.376 3.371 0 40 DGAB C[C@H](NC(=O)NCCO[C@@H]1CCCC[C@@H]1C)c1nccs1 71879741 NBKWLFDPRHZBPP-RWMBFGLXSA-N 311.451 3.099 0 40 DGAB CC1(C)CC(=O)c2c(N)nc(Nc3ccc(F)cc3)nc2C1 72467671 HTYLLVSGHVAHRP-UHFFFAOYSA-N 300.337 3.097 0 40 DGAB Cc1cc(OC(F)F)c(C(=O)NCCc2cscn2)s1 71907604 COZNWELRGRSRJW-UHFFFAOYSA-N 318.370 3.087 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)Nc1cccc2[nH]ccc12 97017627 PTLXUSOYQHDDKB-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB O=C([C@@H]1CCCN1Cc1ccccc1)N1CCc2ccccc2C1 95369316 LGMWREIOQWISTR-FQEVSTJZSA-N 320.436 3.236 0 40 DGAB COc1ccc([C@@H](C)N(C)C(=O)c2c[nH]c3ncccc23)cc1 84651586 SALIPZJUHZJIQQ-GFCCVEGCSA-N 309.369 3.405 0 40 DGAB CCSCCSc1nnc([C@@H]2COc3ccccc3O2)o1 95401145 VPFIEYPEHSLNEC-LBPRGKRZSA-N 324.427 3.427 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N2CC[S@@](=O)C(C)(C)C2)c1 95418138 IUBQULGMNRGGGC-FQEVSTJZSA-N 314.838 3.023 0 40 DGAB Cc1cc(C)cc([C@H](O)CN(C)Cc2cc(Cl)cn2C)c1 95965202 UYESOIUELOTHOM-QGZVFWFLSA-N 306.837 3.461 0 40 DGAB COc1cc([C@H](C)NCCc2cn3ccccc3n2)ccc1F 95982152 DAJAQSMZQQLOCW-ZDUSSCGKSA-N 313.376 3.375 0 40 DGAB COc1ccc(NC(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)cc1 75139442 OKGAYMUNRZVWOL-DOTOQJQBSA-N 318.417 3.243 0 40 DGAB Cc1cc(CS[C@H]2CCCN(Cc3ccccc3)C2=O)on1 89602470 GJXUMIMKOUEXBO-INIZCTEOSA-N 316.426 3.407 0 40 DGAB CC(C)(C)c1nnc(CNC(=O)N2CCC[C@@H]2C2CCC2)s1 89761541 JGOFSDWEUNPVKW-GFCCVEGCSA-N 322.478 3.310 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2cccc(F)c2)cc1 67197484 KDZUWDGMMNARAS-ZDUSSCGKSA-N 315.344 3.168 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)Nc1cccc(F)c1 409235853 COYZEIALXHDWRM-MDZDMXLPSA-N 301.317 3.495 0 40 DGAB CCOC(=O)COc1cc(C)nc2c(OC)ccc(Cl)c12 64874726 SGFCDXJDNIHTGJ-UHFFFAOYSA-N 309.749 3.147 0 40 DGAB O=C(NCc1nc(C2CC2)cs1)[C@@H]1CCc2ccccc2C1 515854627 YTVXVVNWDWQIIV-OAHLLOKOSA-N 312.438 3.442 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)Nc3cccc(C)n3)n2)c1 33317804 SIGLGZRJVZAQCG-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB Cn1c(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc2ccccc21 36357041 ZJOKYBBMMVGVBC-LJQANCHMSA-N 320.392 3.392 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)CCSc1ccccc1 75155236 DMYUKESRTXLNMV-CQSZACIVSA-N 321.467 3.389 0 40 DGAB Cc1nnc(COc2ccc(NC(=O)CC(C)(C)C)cc2)o1 79306757 QJSLODJTGXHARP-UHFFFAOYSA-N 303.362 3.332 0 40 DGAB CCn1nc(C)c(CNC(=O)N[C@@H]2C[C@H]2C2CCCCC2)c1C 525767590 XUNVLGNPNLWRAV-DOTOQJQBSA-N 318.465 3.288 0 40 DGAB CSCC[C@@H](C(=O)Nc1ccc(Cl)nc1)n1cccc1 575443092 GVDLZDHGMQCFQI-LBPRGKRZSA-N 309.822 3.469 0 40 DGAB COC(=O)c1c(F)cc(C(F)(F)F)cc1Br 575713094 UVVQCHVTKNJDHN-UHFFFAOYSA-N 301.033 3.394 0 40 DGAB CC(C)NC(=S)Nc1ncc(Br)cc1Cl 223872984 BKXRUALWKPEZJJ-UHFFFAOYSA-N 308.632 3.192 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)c2ccc(F)cc2C)cc1 225594076 HBMTXVRHDXYMQX-UHFFFAOYSA-N 321.417 3.354 0 40 DGAB C[C@H](O)CC(C)(C)CNC(=O)Nc1cc(Cl)ccc1F 96433807 FOPSYMARKFCGEN-VIFPVBQESA-N 302.777 3.398 0 40 DGAB C[C@@H]1CN(Cc2nnsc2Cl)C[C@H](c2ccccc2)O1 49068781 JQCURCSBNMMHCD-ZWNOBZJWSA-N 309.822 3.154 0 40 DGAB COC[C@@H]1CCC2(CCN(Cc3ccc(C)s3)CC2)N1C 96209487 BVXIXKAOTBMVRM-HNNXBMFYSA-N 308.491 3.132 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 96450629 VULODGWEZDNSRM-HZPDHXFCSA-N 306.475 3.152 0 40 DGAB O=C(CSCc1ccn(C2CCCC2)n1)NCC1CCC1 96476030 BGAPKYVBEZCVKO-UHFFFAOYSA-N 307.463 3.148 0 40 DGAB COc1ccccc1O[C@H](C)CNC(=O)c1ccc(Cl)o1 96431646 WDAWBTPKSNOHQS-SNVBAGLBSA-N 309.749 3.139 0 40 DGAB CC(C)(C)n1cc(NC(=O)C[C@@H]2OCCc3ccccc32)cn1 96406290 AFKDWXZRMYGMTM-INIZCTEOSA-N 313.401 3.281 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@]2(CNC(C)(C)C(F)(F)F)C1 585117017 PDWPILPVEZQOIU-HZMBPMFUSA-N 322.371 3.174 0 40 DGAB CCn1cc(-c2cnc(C[C@H]3CCCN(C(C)C)C3)cn2)cn1 257312273 UNDSXMXFFVVQGQ-OAHLLOKOSA-N 313.449 3.023 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N1C[C@@H]2CCC[C@H]2[C@@H]1C(=O)O 263554012 XYUPZOOQQNGONR-YWPYICTPSA-N 305.374 3.037 0 40 DGAB OC1(c2nc(Cc3c[nH]c4ccc(F)cc34)no2)CCCCC1 275699388 JIYXNZQMPSPPAM-UHFFFAOYSA-N 315.348 3.433 0 40 DGAB O=C(O)c1cccc(-c2ccc(C[C@H]3CCCNC3=O)cc2)c1 585166828 LDXIHUQRUBDTQG-MRXNPFEDSA-N 309.365 3.121 0 40 DGAB Cc1occc1C(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 58343463 IJOULROQXXJTKR-CYBMUJFWSA-N 313.275 3.070 0 40 DGAB CCOc1ccccc1NCC(=O)N1CCc2sccc2C1 57891658 KSBBVBFMKMCMOG-UHFFFAOYSA-N 316.426 3.144 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O 82050704 FJZKBPUBWKYMHG-ZBKHRRJXSA-N 302.414 3.346 0 40 DGAB FC(F)COc1ccc(CN2CCC(n3ccnc3)CC2)cc1 92648478 KFUZVQOUSMIICE-UHFFFAOYSA-N 321.371 3.364 0 40 DGAB O=C(NCc1ccon1)Nc1ccnc(Oc2ccccc2)c1 96447171 IHVZVYHJNLXLCC-UHFFFAOYSA-N 310.313 3.184 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1ccc(Cl)cc1Br 1083806946 BXSZMGPJPHCSQR-ZANVPECISA-N 318.642 3.006 0 40 DGAB CCCC1=NN(C(=O)c2cc(C)cs2)[C@@](O)(C(F)(F)F)C1 5015745 DTGXCDQOKBYMHM-LBPRGKRZSA-N 320.336 3.309 0 40 DGAB Cc1ccc(CN2CCC(N3C[C@H](C)O[C@H](C)C3)CC2)cc1 12474921 GFZFAZDCVHIPOI-CALCHBBNSA-N 302.462 3.069 0 40 DGAB CCCNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 13748606 LOZGPQIEJIZHGG-UHFFFAOYSA-N 305.447 3.009 0 40 DGAB O=C(Nc1c(F)cccc1F)c1ccc(N2CCOCC2)cc1 14399460 VOOXPLDKJNQIMA-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB O=C(Cc1cccc(O)c1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 19375801 FWQDBYLSLRSUBB-QGZVFWFLSA-N 321.380 3.175 0 40 DGAB COc1ncncc1NC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1 162888673 JFRQFSBGEATYFL-DGCLKSJQSA-N 316.361 3.083 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCCc2ccccc21 1466519 XVYUAZHDRRJCHQ-CSKARUKUSA-N 307.349 3.408 0 40 DGAB COc1cccc(-n2c(=S)sc3c(=O)[nH]c(=S)[nH]c32)c1 3034123 PGCKXSXLFRBDEF-UHFFFAOYSA-N 323.424 3.176 0 40 DGAB Cc1cc(F)ccc1NC(=O)CCc1ccc2c(c1)OCO2 10444906 GFLZEJVBUYOWQS-UHFFFAOYSA-N 301.317 3.434 0 40 DGAB O=c1[nH]c2ccc(NCc3cc(Br)cs3)cc2[nH]1 20475128 UGKTXKNTFHLGTE-UHFFFAOYSA-N 324.203 3.292 0 40 DGAB Cc1c(C(=O)NCCc2cccs2)oc2c1C(=O)CCC2 40515716 KGQSYLKMHAJOJP-UHFFFAOYSA-N 303.383 3.141 0 40 DGAB Cc1cc2cc3c(cc2nc1SCC(=O)OC(C)C)OCO3 415391 KDMBIFSOZHXFTO-UHFFFAOYSA-N 319.382 3.316 0 40 DGAB Cc1cc(OCCCC(=O)NC2=NCCS2)ccc1Cl 2626219 CYMCOTGIBLQUCJ-UHFFFAOYSA-N 312.822 3.026 0 40 DGAB O=C(NC1C[C@@H]2CCC[C@@H](C1)N2Cc1cccs1)C1CC1 1377851 LVXGCGTZFCANHR-GJZGRUSLSA-N 304.459 3.160 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)[C@@H](C)N(CC)CC)cc1 1671422 ATPLKGMFZLAOQD-CQSZACIVSA-N 320.433 3.312 0 40 DGAB CCOc1ccc([C@@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 102669723 MOBJKCMODXDCRH-MRXNPFEDSA-N 310.357 3.348 0 40 DGAB O=S(=O)(Nc1ccccc1F)c1ccc(C(F)(F)F)cn1 79107992 XMVUZKJVGJPLEK-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB O=C(CCc1nc(Cc2ccccc2)no1)Nc1ccccc1 32930955 VOTZDDZSSQSKNF-UHFFFAOYSA-N 307.353 3.232 0 40 DGAB COc1cccc([C@@H]2Nc3nonc3N=C3CCCC(O)=C32)c1 102742750 QZUJJAOBAZSBPW-AWEZNQCLSA-N 312.329 3.314 0 40 DGAB Cc1cc2nnc(SC[C@H]3CC3(Cl)Cl)n2c(C)n1 33032820 JUHJYZIBZJLFPU-MRVPVSSYSA-N 303.218 3.027 0 40 DGAB Cc1cccc(C(=O)O)c1C[C@@H]1NCC[C@H]2c3ccccc3N[C@H]12 4830731 JZMNBICLWOBJHN-JVPBZIDWSA-N 322.408 3.176 0 40 DGAB in-vitro C[C@H]1CCCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 41613294 MYLNGRYZIGHPMO-AWEZNQCLSA-N 320.396 3.411 0 40 DGAB Cc1noc(C)c1CSCC(=O)Nc1ccccc1N(C)C 23176209 CSHACZXQCVADNU-UHFFFAOYSA-N 319.430 3.229 0 40 DGAB Fc1ccc(CN2CCC[C@]3(C[C@@H](n4ccnc4)CO3)C2)cc1 107731387 XFUMQKSJHUFULB-MSOLQXFVSA-N 315.392 3.018 0 40 DGAB CC(=O)c1c(F)cccc1NCc1ccc(-n2cccn2)nc1 12527547 NZYQHBUEGGMVAZ-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB O=c1c2ccccc2cnn1-c1ccc(OC(F)(F)F)cc1 1391351 YJVODNBDRVSGSD-UHFFFAOYSA-N 306.243 3.284 0 40 DGAB CC1=CC[C@H](C(=O)O)[C@H](C(=O)Nc2nc3ccccc3s2)C1 26444507 GUJPAOIGOPJEBR-WDEREUQCSA-N 316.382 3.292 0 40 DGAB O=C(O)[C@@H]1C[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 37827890 DNCSHJZIKVHEGL-CHWSQXEVSA-N 321.423 3.059 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(F)c2)cc1 3357194 RBJDLVNKMFWEMR-UHFFFAOYSA-N 300.333 3.056 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCCN1Cc1ccccc1)c1cccc(O)c1 69425520 MDENUDVIBOWPFN-BEFAXECRSA-N 324.424 3.234 0 40 DGAB Cc1ccc(C)c(OCCCCC(=O)NC2CCN(C)CC2)c1 58315753 IMCICCMUZKVVEO-UHFFFAOYSA-N 318.461 3.063 0 40 DGAB Cc1c([C@@H](C)NC[C@@H]2CNc3ccnn3C2)oc2ccccc12 58377685 OJXYXPODKAUEDR-ZIAGYGMSSA-N 310.401 3.330 0 40 DGAB COc1ccc(CNC(=O)N[C@@H](C)CCc2ccco2)cc1 12877479 OECONBZFZHDJLW-ZDUSSCGKSA-N 302.374 3.109 0 40 DGAB Cc1ccc2nc(C)cc(C(=O)OCC(=O)OC(C)(C)C)c2c1 36877825 LAZKHSLLXVFHOZ-UHFFFAOYSA-N 315.369 3.350 0 40 DGAB Cc1cccc(-c2noc(CN(C[C@@H]3CCOC3)C3CC3)n2)c1 46091800 KZQRFFGJWPZWKU-AWEZNQCLSA-N 313.401 3.046 0 40 DGAB Cc1ccc(C)c(CC(=O)N2CCN(Cc3ccccc3)CC2)c1 20047929 WZQBGADJRMZRFJ-UHFFFAOYSA-N 322.452 3.190 0 40 DGAB O=C(CCc1ccccc1)Nc1ccn(CCc2ccncc2)n1 69516242 UDFVIEPSELLSIX-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccsc1)c1ccccc1Cl 13259071 XBEDLUNPEXYLTP-GFCCVEGCSA-N 309.774 3.347 0 40 DGAB COc1ccc(-c2nc(C)c3c(n2)sc2c(O)ncnc23)cc1 13726358 GCXSDDJERVYKFH-UHFFFAOYSA-N 324.365 3.324 0 40 DGAB Cn1ncc2c(N[C@@H]3CCSc4ccc(F)cc43)ncnc21 14276599 BOLLXDKMTDFOPM-GFCCVEGCSA-N 315.377 3.151 0 40 DGAB O=C(Nc1nc(-c2cccc(Cl)c2)ns1)C1CCOCC1 65813171 OFCZJUIUEQZBIX-UHFFFAOYSA-N 323.805 3.224 0 40 DGAB Cc1noc(C)c1Cn1nnc(-c2cccc(C(F)(F)F)c2)n1 6582627 SPKNYWLXQJUOHM-UHFFFAOYSA-N 323.278 3.012 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)NCCc2ccccc2)cc1 4680889 KQEBHNHLHFAJEE-UHFFFAOYSA-N 310.397 3.398 0 40 DGAB biogenic CCCC[C@H](CC)CNCc1cccn1CCN1CCOCC1 4681297 CHQDZNDCTFEWOO-SFHVURJKSA-N 321.509 3.126 0 40 DGAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(N)=S)cc1 4783681 KDDOGHMAISXZPS-MRXNPFEDSA-N 311.410 3.090 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCN(Cc2ccccc2)CC1 5683010 GWHWSKGIRYVYDA-VAWYXSNFSA-N 306.409 3.044 0 40 DGAB Cc1ccc(-c2nsc(NC(=O)c3ccncc3)n2)s1 66413349 VMDVLZYSJVPCOU-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB Cc1nc(C)c(C(=O)OCc2cn3cc(Cl)ccc3n2)s1 5754383 XADHPWPQVQTDCE-UHFFFAOYSA-N 321.789 3.418 0 40 DGAB CCOc1ccc(C(=O)OCC(=O)NC2CCCCCC2)cc1 6887275 TZVIHXPZBSLKQE-UHFFFAOYSA-N 319.401 3.081 0 40 DGAB c1ccc(-c2cc(CN3CCC[C@@H](c4cn[nH]c4)C3)n[nH]2)cc1 92810200 FQFGZRMFEXSPLO-OAHLLOKOSA-N 307.401 3.179 0 40 DGAB Cc1cc(CNC(=O)Nc2cc(-c3ccccc3)ns2)no1 80135569 JOAQQVNZNPUBMM-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB Cc1ccc2c(c1)CCCN2[C@H](C)C(=O)NCc1ccccc1 7214186 DDNWJKMPBPIBHI-MRXNPFEDSA-N 308.425 3.453 0 40 DGAB Cc1n[nH]c2ncc(C(=O)N(Cc3ccco3)C3CCCC3)cc12 67660975 IRHBQTIYYUWJGA-UHFFFAOYSA-N 324.384 3.444 0 40 DGAB O=C(Nc1cccc(-n2cccc2)c1)c1ccc2nccn2c1 68392768 KXHAAQHDCQRVAW-UHFFFAOYSA-N 302.337 3.377 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)Nc1cc(N)ccc1OC 19736203 DULALNCOKZGLNM-INIZCTEOSA-N 314.385 3.382 0 40 DGAB Cc1nc(CNC(=O)N[C@H](C)Cc2ccsc2)sc1C 96439353 ZUZAOWOKFQNVHR-SECBINFHSA-N 309.460 3.252 0 40 DGAB CS[C@H]1CCCCN([C@H](C)C(=O)NCC2CCCCC2)C1 83967333 CXZJCADNECNSQN-ZBFHGGJFSA-N 312.523 3.289 0 40 DGAB CC(C)(C(=O)O)c1ccc(NC(=O)CCC(F)(F)F)cc1 97014486 HWJACLZHARSYJR-UHFFFAOYSA-N 303.280 3.330 0 40 DGAB O=C1CCCN1Cc1ccc(NC2Cc3ccccc3C2)cc1 97037306 OEOZJSPLSHHNQD-UHFFFAOYSA-N 306.409 3.388 0 40 DGAB Cc1nc2nc(-c3ccccc3O)cc(-c3ccccc3)n2n1 20635856 BHJHHLHNNPBJDH-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB C[C@@H](NC(=O)N(C)CC(C)(C)O)c1ccc(Cl)c(Cl)c1 95411051 VHRQWDJSRZPMCP-SECBINFHSA-N 319.232 3.467 0 40 DGAB COc1ccccc1NC(=O)NCCCN1CCCCCC1 24367655 VPGAJMAVYGFUSS-UHFFFAOYSA-N 305.422 3.083 0 40 DGAB CCOc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1ccco1 408527302 LXFJGRNCXSKRLR-FPLPWBNLSA-N 303.270 3.145 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C 32585502 CHVKDHPHAOIMGM-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=C(Cc1ccccc1C(=O)O)Nc1cccc2cccnc12 38819541 GKOBEBHHQDVUTB-UHFFFAOYSA-N 306.321 3.114 0 40 DGAB CC(C)(C)SCC(=O)Nc1ccc(OCC(F)(F)F)nc1 32931160 RREWOJRPBDRYST-UHFFFAOYSA-N 322.352 3.493 0 40 DGAB Cc1ncsc1COC(=O)c1ccc(NC(=O)C2CC2)cc1 78554239 DHXLSZFGXOBZDU-UHFFFAOYSA-N 316.382 3.157 0 40 DGAB Cc1n[nH]cc1CNCc1ccc(Oc2cccc(F)c2)nc1 79333455 XPXAVFBITOBTMK-UHFFFAOYSA-N 312.348 3.334 0 40 DGAB CCCC1=NN(C(=O)c2ccc(F)cc2)[C@@](O)(C(F)(F)F)C1 32100694 QQQLEDYMFYXCHR-ZDUSSCGKSA-N 318.270 3.079 0 40 DGAB N=C(Nc1ccc(Cl)cc1)Nc1nc2ccsc2c(=O)[nH]1 40385334 RIMZYVJWZBMYJM-UHFFFAOYSA-N 319.777 3.097 0 40 DGAB COc1ccc(C(=O)N2CCC[C@H](Cc3nccs3)C2)cc1 72385058 QIZJFBCSTAMPLJ-CYBMUJFWSA-N 316.426 3.247 0 40 DGAB CSC[C@@H](C)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 77284606 FWMPVZCBFIVWGJ-SNVBAGLBSA-N 322.459 3.420 0 40 DGAB Cc1cc(C)cc(NC(=O)Nc2cnc(N3CCCC3)nc2)c1 224263190 SRSYZKLLKMQYGA-UHFFFAOYSA-N 311.389 3.338 0 40 DGAB O=S(=O)(CCCc1cn[nH]c1)[C@@H]1CCc2c(Cl)cccc21 190938364 OFTNJXQVNGMLPU-OAHLLOKOSA-N 324.833 3.098 0 40 DGAB CC(C)n1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1 222726551 GEIKJFUVYUWXMQ-CABCVRRESA-N 300.431 3.066 0 40 DGAB Cc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1C 40095493 DZJIRIWSRYIHEN-UHFFFAOYSA-N 312.369 3.396 0 40 DGAB Cc1cc(S(=O)(=O)NCCSC2CCCC2)ccc1F 225611333 MUJHWVZPTYJDCU-UHFFFAOYSA-N 317.451 3.088 0 40 DGAB Cc1cc(S(=O)(=O)N[C@@H](C)CCc2ccccc2)ccc1F 225606338 QPZJYVJOYAPBLB-AWEZNQCLSA-N 321.417 3.434 0 40 DGAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1cccs1 225584726 LZAXYZHSKQRAHE-HNNXBMFYSA-N 319.407 3.069 0 40 DGAB CSc1cc(C(=O)N2CC[C@](C)(O)C2)c(Cl)cc1Cl 95415600 KMWDGUWIDLSLHM-ZDUSSCGKSA-N 320.241 3.312 0 40 DGAB O=C1CCN(C(=O)CCc2ccsc2)c2ccc(F)cc2N1 96413207 IZKHUUZDOJEUNM-UHFFFAOYSA-N 318.373 3.195 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@@H]1c1cccnc1 96410943 XSQWATQKRMPGSI-IAGOWNOFSA-N 302.418 3.483 0 40 DGAB Fc1ccccc1CN(Cc1cn2cccnc2n1)C1CCC1 96467219 WVOVSNAHKFNABB-UHFFFAOYSA-N 310.376 3.423 0 40 DGAB O=C(N1CC[C@@]2(CCOC2)C1)C1(c2ccc(F)cc2F)CCC1 96494809 ULSHAHSHPONPIG-QGZVFWFLSA-N 321.367 3.026 0 40 DGAB OCCc1ccc(NCc2cnn(-c3ccc(F)cc3)c2)cc1 96461403 DPHNEIRJZJOTDS-UHFFFAOYSA-N 311.360 3.158 0 40 DGAB CC[C@H](O)Cn1nc(-c2ccccc2)c(-c2ccccc2)cc1=O 252488561 IUTFYGOGHIYWCT-KRWDZBQOSA-N 320.392 3.348 0 40 DGAB CN[C@@H]1CCC[C@@H](Oc2ccccc2Oc2ccccc2)[C@@H]1O 257319744 VTXMBEMDSQWAMV-ATZDWAIDSA-N 313.397 3.359 0 40 DGAB Cn1nc(CNC(=O)c2cccc3ccccc23)c2c1CCCC2 96099124 SSCSBKDORQHQIA-UHFFFAOYSA-N 319.408 3.382 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](NC(=O)NC[C@H]2CCOC2(C)C)C1 661123435 OISCSRQONHVOKE-BZUAXINKSA-N 316.445 3.355 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 69350074 ARMCDSRIGBJOSY-OLZOCXBDSA-N 303.793 3.100 0 40 DGAB COc1cc(CCN[C@@H]2CCO[C@H](C(F)(F)F)C2)ccc1C 554361741 HYRHTHWZIRQALS-HIFRSBDPSA-N 317.351 3.246 0 40 DGAB O=C(c1cc(C2CC2)[nH]n1)N1CCc2[nH]c3ccc(F)cc3c2C1 25534172 RYFANDPLCMEXBP-UHFFFAOYSA-N 324.359 3.106 0 40 DGAB O=C(Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1)C1CC1 4079131 VLPTUWSYYVYHOL-UHFFFAOYSA-N 303.431 3.354 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)CCC1CCCC1 4851883 GPIJKEKAWFXOCY-UHFFFAOYSA-N 300.358 3.441 0 40 DGAB Fc1ccc2c(C3CCN(c4ncncc4F)CC3)noc2c1 2086865032 BZEZBNUKQZEUFV-UHFFFAOYSA-N 316.311 3.280 0 40 DGAB O=C(c1cnn(Cc2ccccc2)c1)N1CCc2ccccc2C1 17322037 IRLSPGXSZQFVQO-UHFFFAOYSA-N 317.392 3.130 0 40 DGAB O[C@@]12CCCC[C@H]1[C@H](c1ccc(Br)cc1)NCC2 216061465 VQLPEFMVRAUFFW-SOUVJXGZSA-N 310.235 3.405 0 40 DGAB biogenic CC[C@@H](C)NC(=O)c1ccc(OCc2cscn2)c(OC)c1 40497862 DWDLQKQZVAMPEA-LLVKDONJSA-N 320.414 3.259 0 40 DGAB Cc1nnc(CN2CCC[C@H]2c2cccc(Br)c2)o1 52213636 FCTVTIJMSCFPKF-ZDUSSCGKSA-N 322.206 3.478 0 40 DGAB CC(=O)Oc1ccccc1OCc1nn(C(C)=O)c2ccccc12 35277 RTELJOHTIHOURN-UHFFFAOYSA-N 324.336 3.201 0 40 DGAB O=C(O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)(F)F 226836 LYZQKJPJPOCQQM-WDEREUQCSA-N 311.263 3.242 0 40 DGAB CC[C@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2)C1=O 2633396 JLPCFLPWULOBFO-GOSISDBHSA-N 312.344 3.183 0 40 DGAB COc1ccccc1OCCCn1c(=O)oc2ccc(C)cc21 2699782 REXCNKNMKFTQQP-UHFFFAOYSA-N 313.353 3.381 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)c1nnc(CC(C)C)o1 76046913 VESPOAAOWHJMKF-GXTWGEPZSA-N 317.437 3.213 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)nc1 1352757 LJYKSJNVKGQSJL-UHFFFAOYSA-N 301.321 3.212 0 40 DGAB CCCC[C@H](CC)NC(=O)c1cc(OC)c(OC)c(OC)c1 1720687 DKPZXGNGNHIAGM-ZDUSSCGKSA-N 309.406 3.411 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)CCc1nc2ncccc2[nH]1 79495318 XCGDLDWUROLBNW-AWEZNQCLSA-N 322.412 3.028 0 40 DGAB C[C@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@H]2C[C@H]1C2(C)C 102597273 OGHLSNKDEIODIH-GBOPCIDUSA-N 302.418 3.375 0 40 DGAB Cc1cc(OCC(=O)Nc2cc(F)ccc2F)nc(C(C)C)n1 2636207 IGEKTBDCEVXAMG-UHFFFAOYSA-N 321.327 3.204 0 40 DGAB O=c1c(-c2ccc3ccccc3c2)ccc2n1C[C@@H]1CNC[C@H]2C1 4237106 OBEGZQNTYJFXNP-KBXCAEBGSA-N 316.404 3.375 0 40 DGAB biogenic,in-vitro Cc1ccc(-c2nc(CNC(=O)c3ccccc3C)no2)cc1 6205424 FGJKFBWXLXZLCB-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB CCNC(=O)CSc1nc2ccccc2n1-c1ccccc1 6564579 DTDUWTIPBLTPDS-UHFFFAOYSA-N 311.410 3.254 0 40 DGAB CCNc1c(NC(=O)Cc2ccccc2)c(=O)oc2ccccc12 6823324 CSRDKGAWTKFDQC-UHFFFAOYSA-N 322.364 3.406 0 40 DGAB CN(CCCNC(=O)c1ccc(F)cc1)Cc1ccccc1 41533181 USTJOKQGVKRZCI-UHFFFAOYSA-N 300.377 3.078 0 40 DGAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@H]1CCCO1 22620806 MWBKFZRNUSJFRN-CQSZACIVSA-N 317.360 3.314 0 40 DGAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@H]12 101356592 KPLHLZRTFOXTCQ-CPLUKWAASA-N 319.360 3.063 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Oc1ccccc1OC 23120428 GZTZKYDUJBTGQK-UHFFFAOYSA-N 314.337 3.055 0 40 DGAB COCCNC(=S)Nc1ccc(Br)c(Cl)c1 2777733 NJPHGFLAJBSDMI-UHFFFAOYSA-N 323.643 3.035 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)cn1 12527288 LIGMSJFTKICKHO-JTQLQIEISA-N 306.749 3.150 0 40 DGAB Cn1cc(CNC(=O)N2CCC[C@H]2c2ccccc2Cl)cn1 54807150 MTYPYFISXJYXBU-HNNXBMFYSA-N 318.808 3.120 0 40 DGAB CC(C)n1ncc2cc(NC(=O)NCc3ccccc3)cnc21 48064094 SDIKNZRDQQVGTG-UHFFFAOYSA-N 309.373 3.334 0 40 DGAB Cn1ccnc1SCC(=O)c1cccc(C(F)(F)F)c1 12601273 REBFPHWFSWYFQA-UHFFFAOYSA-N 300.305 3.414 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H]2C=C[C@H]([C@H]3C[C@@H]32)[C@@H]1C(=O)O 100793583 SYDQUWUBPNHBMA-SJJUBHFPSA-N 311.381 3.011 0 40 DGAB CCNC(=O)Nc1ccc(Oc2ccc(C)cc2OC)nc1 48239641 LYDCEPXQVYBKEW-UHFFFAOYSA-N 301.346 3.332 0 40 DGAB CN(C)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 48265716 MVYNKDDHUPVENR-MRXNPFEDSA-N 302.805 3.373 0 40 DGAB C[C@@H](NC(=O)[C@@H](C)N1CCc2sccc2C1)c1ccccc1 10094399 YXRHGFBUECMXDZ-ZIAGYGMSSA-N 314.454 3.372 0 40 DGAB COc1ccc(CC(=O)NCCSC2CCCCC2)cc1 20456843 SPAKUMCJTIDLQQ-UHFFFAOYSA-N 307.459 3.420 0 40 DGAB CN(C(=O)c1c[nH]c2ccc(Cl)cc2c1=O)c1ccccc1 44901237 SGTNDHKDHKOCCU-UHFFFAOYSA-N 312.756 3.458 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)Nc1nccs1 48332651 ZWBYDZIUFPJJSW-UHFFFAOYSA-N 316.430 3.061 0 40 DGAB CC(=O)N[C@H](CC(=O)N(C)C1CCCC1)c1ccc(Cl)cc1 48309965 GUNFXIQCIAVGBF-MRXNPFEDSA-N 322.836 3.308 0 40 DGAB Cc1cc(F)ccc1NC(=O)CCCNC(=O)c1cccs1 12888482 SPKONDNRENLXNP-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB CCc1nnc(NC(=O)c2ccc(OC(F)(F)F)cc2)s1 8762295 VRYWLYIWDISSFC-UHFFFAOYSA-N 317.292 3.251 0 40 DGAB CN(Cc1ccc(Cl)s1)[C@H]1CCCN(c2cccnn2)C1 69925702 YZROJJBVHIAMED-LBPRGKRZSA-N 322.865 3.292 0 40 DGAB O=C(Nc1cccc(Br)n1)[C@H]1C[C@@H]1c1ccco1 49424138 SJVSLUOCDZVAQO-IUCAKERBSA-N 307.147 3.179 0 40 DGAB Cc1csc(-c2cccc(NC(=O)[C@H]3CCO[C@@H]3C)c2)n1 92351369 RRLCXEBKZSXULC-RISCZKNCSA-N 302.399 3.482 0 40 DGAB c1ccc2sc(CN3CC[C@@H](CN4CCOCC4)C3)cc2c1 93664183 NSOOGKAFMMNYDN-HNNXBMFYSA-N 316.470 3.055 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccc(O)cc2)CC1 6269162 JLVIOBAOTVLBCN-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB CC(C)c1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 6588880 HBLNBFAIWCWHEX-CQSZACIVSA-N 318.442 3.377 0 40 DGAB Cc1cccc(C[S@](=O)CC(=O)Nc2cccc(F)c2)c1 66296994 VRAHXKSCWHGUQC-OAQYLSRUSA-N 305.374 3.022 0 40 DGAB CC(C)n1ccnc1SCC(=O)NCc1ccc(F)cc1 9115908 HUZHZZZEASDSIZ-UHFFFAOYSA-N 307.394 3.012 0 40 DGAB COC(=O)c1ccccc1NCc1ccc(Cn2cccn2)cc1 15589868 QZHRGQXYUJQGEB-UHFFFAOYSA-N 321.380 3.330 0 40 DGAB Cn1cc(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)cn1 8358798 ZVXIUKGKQCCBNK-UHFFFAOYSA-N 315.760 3.264 0 40 DGAB Cc1oc(-c2ccsc2)nc1CSc1nnnn1C1CC1 69451210 QJAUOKSRYSVFAS-UHFFFAOYSA-N 319.415 3.325 0 40 DGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@H]3C3CCCC3)c2n1 71820109 XPMUXUKEWCULRM-INIZCTEOSA-N 312.417 3.141 0 40 DGAB O=C(C1CC1)N1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 71883402 JUFMQZUQWRKAOS-CYBMUJFWSA-N 318.175 3.442 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]2CCCC[C@H]21 71828356 QOJRMTCPBDIVPV-GDBMZVCRSA-N 310.401 3.062 0 40 DGAB CC[C@H](c1ccccc1)c1nnc(NC(=O)[C@@H]2CCOC2)s1 71883184 ANHVUNMVPXGZSP-CHWSQXEVSA-N 317.414 3.055 0 40 DGAB CCc1ncsc1C(=O)N[C@H](C)CC(=O)c1ccc(F)cc1 97230437 DGLLAANYVGWOBF-SNVBAGLBSA-N 320.389 3.236 0 40 DGAB NC(=O)c1ccc(CSCCCOc2ccccc2)cc1 9851318 DEHQKTLQNREHBM-UHFFFAOYSA-N 301.411 3.488 0 40 DGAB Cc1ccccc1[C@H](C)NCCC(=O)Nc1cc(N)ccc1F 97032974 YGZDUDPEWDTDPX-ZDUSSCGKSA-N 315.392 3.396 0 40 DGAB COC(=O)c1sccc1COc1ccc(-c2nnco2)cc1 95411449 QEKKRKIOQNRAJT-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB OCc1ccc(CNc2cc(F)ccc2OC[C@H]2CCCO2)o1 95429070 SYWHYIAUBILQBD-OAHLLOKOSA-N 321.348 3.081 0 40 DGAB Cc1ccccc1[C@H](NCC(=O)Nc1c(C)n[nH]c1C)C(C)C 95985096 GDLTYTPVAPJWKK-QGZVFWFLSA-N 314.433 3.260 0 40 DGAB Cc1ccccc1[C@H](CC(C)C)NC(=O)C1(O)CCSCC1 95979352 PYVTVFAUHQYOMW-INIZCTEOSA-N 321.486 3.457 0 40 DGAB CCN(CCCNC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 9919483 HZNUCOOINIEKHF-UHFFFAOYSA-N 322.412 3.209 0 40 DGAB COc1cc([C@H](C)NCCc2nc(C(C)C)no2)ccc1F 89577292 BWOBSHFBLSIVQA-NSHDSACASA-N 307.369 3.234 0 40 DGAB O=C(c1cnn(Cc2ccccc2)c1)N1C[C@H]2CCCC[C@@H]2C1 75105463 VQHQWDLSHGBEBU-IAGOWNOFSA-N 309.413 3.194 0 40 DGAB CCOC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(C)nc1 89984883 IYIAACPQZRHUPG-UHFFFAOYSA-N 324.380 3.160 0 40 DGAB CCOc1cc(CNC(=O)NC2CCCCC2)ccc1OC 114581172 ZSVMMKBTEXYIEZ-UHFFFAOYSA-N 306.406 3.226 0 40 DGAB COc1ccc(CCNC(=O)CCn2ccc3ccccc32)cc1 21894782 APPSERXMKWVETC-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 28909977 NACOZHGCNDERIT-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB O=C(O)[C@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc(Cl)c1 35708298 GPMRWWDIUGJBIG-LERXQTSPSA-N 307.777 3.198 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@@H]2C(=O)Nc2cccnc2)cc1 35314637 DEXPBZVIPIOCHJ-MRXNPFEDSA-N 324.384 3.025 0 40 DGAB O[C@H](Cn1nnc2cc(Cl)c(Cl)cc21)CC(F)(F)F 189422862 CBTNGYPTXXXNAU-YFKPBYRVSA-N 314.094 3.051 0 40 DGAB c1ccc(CO[C@@H]2CCCC[C@@H]2N2CCN[C@@H]3CCC[C@H]32)cc1 218849602 AOIYHYXUOPSXOB-YSTOQKLRSA-N 314.473 3.341 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cc2)n1 78148286 VPXKUWAJYYUJAP-QXAKKESOSA-N 323.440 3.467 0 40 DGAB Cc1cc(CNCCc2nccn2CC(F)(F)F)ccc1F 78552498 LCPZLLMTCZJBSZ-UHFFFAOYSA-N 315.314 3.225 0 40 DGAB Cc1ccc(-c2snnc2C(=O)N2CCC[C@@H](C)C2)cc1 71195331 FBKOVPXFTZWDEN-GFCCVEGCSA-N 301.415 3.386 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@@H](C)c1cccc(F)c1 49796664 ZBMDFAZEJSTMBK-JTQLQIEISA-N 305.353 3.333 0 40 DGAB O=C(NC1CCN(C2CC2)CC1)N(Cc1cccs1)C1CC1 45410089 LSIRGEWEHJORJK-UHFFFAOYSA-N 319.474 3.049 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cccc(N3CCCC3=O)c2)cc1 198293157 IKIZTHUQBKMFJO-UHFFFAOYSA-N 322.408 3.394 0 40 DGAB CC(=O)Nc1ccc(Nc2nc(N(C)C)c3ccccc3n2)cc1 41146976 CWVDHCVFDNDZBD-UHFFFAOYSA-N 321.384 3.398 0 40 DGAB CO[C@H](C)c1noc(COc2ccccc2-c2nccs2)n1 97103791 FBUGFYPSBZULKM-SNVBAGLBSA-N 317.370 3.480 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)N3CC[C@@H](O)C3)cc2)cc1 96501775 XMBMVUMVVVUMNZ-OAHLLOKOSA-N 312.369 3.386 0 40 DGAB CCn1cc2c(n1)CN(Cc1ccco1)C[C@H]2COCC1CC1 96060415 QHBAXXYISWEJCO-HNNXBMFYSA-N 315.417 3.022 0 40 DGAB Cc1nc(C(C)(C)NC(=O)c2cccc3cn[nH]c23)sc1C 96413194 YQPJJQLCHQITBM-UHFFFAOYSA-N 314.414 3.301 0 40 DGAB Cc1cc2c(cc1-c1nnc(S)n1C(C)C)OCCCO2 98063802 IPESUQDSVPPHRO-UHFFFAOYSA-N 305.403 3.284 0 40 DGAB CC[C@@H](C)CS(=O)(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 245339392 SKRVCNNPZCPHOG-DOMZBBRYSA-N 321.446 3.076 0 40 DGAB C[C@]12CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](O)CC[C@]43C)[C@@H]1CCC2=O 257346201 UXZGHAVOAACUIL-UUZKEEIJSA-N 306.446 3.074 0 40 DGAB CC(=O)NCc1cccc([C@H]2CCCN2Cc2ccsc2)n1 257233915 GRIQROMFGDIMSR-QGZVFWFLSA-N 315.442 3.116 0 40 DGAB CCCCCOCC(=O)Nc1cc2sc(=O)n(C)c2cc1C 585126503 AQWZORSINHATLN-UHFFFAOYSA-N 322.430 3.054 0 40 DGAB C[C@H]1CCC(C)(C)N1C(=O)Nc1ccc2c(c1)CCC(=O)N2C 585120118 SLFFKORXYTUQFP-LBPRGKRZSA-N 315.417 3.390 0 40 DGAB O=C(O)c1cc(Br)cnc1NCc1ccccc1 50042945 RXECDVZOLAAISI-UHFFFAOYSA-N 307.147 3.154 0 40 DGAB CC(C)(C)OC(=O)[C@@H](N)CCCCCCCCCC(=O)O 95936405 UJJHDAZHYBZEOY-ZDUSSCGKSA-N 301.427 3.251 0 40 DGAB O=C(OCc1ccccc1)c1cc(F)ncc1Br 642814617 NCBAJXWERAZVDS-UHFFFAOYSA-N 310.122 3.340 0 40 DGAB Cc1ccccc1C(=O)N1CCC2(CC1)CC(N1CCCC1)C2 585101501 DWRLTXSZEMUZRU-UHFFFAOYSA-N 312.457 3.476 0 40 DGAB O=C(c1cc(F)ccc1I)C(F)(F)F 604221701 WSOLFCPEIUWWEP-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB CCOc1ccccc1OCCn1c(C=O)nc2ccccc21 11568052 PQRHAVUSWSNEFB-UHFFFAOYSA-N 310.353 3.327 0 40 DGAB Cc1nc(NC(=O)/C=C/c2ccccc2)nc2c1C(=O)C[C@H](C)C2 13636180 NVNXRMVTQUTXNZ-IDVQTMNDSA-N 321.380 3.202 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)c1nc2ccccc2s1 19580456 LHIZBSMMYSEQKK-JTQLQIEISA-N 315.398 3.321 0 40 DGAB Fc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19842420 MPKNCPVSEPNVPJ-SOLBZPMBSA-N 300.421 3.156 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](O)c1ccccc1Br 238160212 OJMJWJFIGOWFLB-LLVKDONJSA-N 316.195 3.007 0 40 DGAB COCCn1cnc2c(Nc3ccc(F)c(Cl)c3)ncnc21 1888913845 WNZKPJQPSYUTHG-UHFFFAOYSA-N 321.743 3.009 0 40 DGAB Cc1nccnc1N1CC(n2c(C(C)(C)C)nc3ccccc32)C1 1889151709 DLKGURQHCLQAFQ-UHFFFAOYSA-N 321.428 3.494 0 40 DGAB COc1ccc(CCC(=O)N2CCn3c2nc2ccccc23)cc1 29374395 CYDZEJXXNJFXLL-UHFFFAOYSA-N 321.380 3.024 0 40 DGAB CSc1nnc(NC(=O)C23CC4CC(CC(C4)C2)C3)s1 4086670 VEAIBKBARVLXCA-UHFFFAOYSA-N 309.460 3.415 0 40 DGAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1ccc(Cl)cc1 4941211 NKRQNTUAZZQYSE-AWEZNQCLSA-N 309.793 3.146 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H]2CC(=O)N(c3ccccc3)C2)c1 9038646 KSGJDXGUUIAPHB-HNNXBMFYSA-N 323.396 3.170 0 40 DGAB COc1ccc(-c2csc(NC(=O)CSC(C)=O)n2)cc1 9320356 FDZACRMELYFBFE-UHFFFAOYSA-N 322.411 3.037 0 40 DGAB CCc1ccc([C@@H](COC)NC(=O)Nc2cccnc2Cl)o1 96441326 YJRZGUFDPCNEEP-GFCCVEGCSA-N 323.780 3.400 0 40 DGAB CCc1cccc(CC)c1NC(=O)NCCCN1CCCC1 40098947 FNMRQWQJCXHTQH-UHFFFAOYSA-N 303.450 3.419 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2ccc(-n3cccn3)cc2)o1 40105152 LHWNFTBREYTFLJ-MDZDMXLPSA-N 307.353 3.103 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@@H](C(=O)O)N2CCCC2)cc1 44552 IHHWFWNOVHICNC-HNNXBMFYSA-N 303.402 3.106 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)c1 44325 WWEKRFVDPUXATR-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCC(=O)c1ccccc1 30657324 GMDBKPGUXXOJQR-UHFFFAOYSA-N 321.380 3.184 0 40 DGAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 20282949 GPMRWWDIUGJBIG-SWHYSGLUSA-N 307.777 3.198 0 40 DGAB in-vitro CN(CC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 100772122 VTLNVTXLJIHLIB-SNUQEOBHSA-N 324.465 3.184 0 40 DGAB O=C(Cc1cccc2ccccc12)NC1CCN(C2CC2)CC1 32752793 WFWRZIOYCIYUSB-UHFFFAOYSA-N 308.425 3.125 0 40 DGAB S=C(NC[C@H]1CCCO1)Nc1ccc2oc(C3CC3)nc2c1 46111128 LYIZLXIQOHEZGN-GFCCVEGCSA-N 317.414 3.171 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)c2cccc3c2ccn3C)c1 69633025 DKZYFTDXBLARLN-UHFFFAOYSA-N 321.380 3.067 0 40 DGAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)CCCn1cncn1 69629363 HIWYLRADCBDKGH-HNNXBMFYSA-N 312.417 3.058 0 40 DGAB COC(=O)c1cccc(NC(=S)N(C)c2ccccc2)c1 134266 LQUQDDPBSXSCJZ-UHFFFAOYSA-N 300.383 3.306 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 76043751 DLKDHZABTNFRNQ-HNNXBMFYSA-N 316.405 3.355 0 40 DGAB Cc1nnc(S[C@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 8728732 QLISVTAKFCPCEI-LBPRGKRZSA-N 323.418 3.098 0 40 DGAB Cn1cc(C(=O)Nc2nc3ccc4ccccc4c3s2)cn1 32901083 CDVJMXNRKBAKDT-UHFFFAOYSA-N 308.366 3.435 0 40 DGAB O=C(NCc1nc(C2CC2)no1)N(CC1CC1)C1CCCCC1 69777556 XTKZYKPBNNTXRM-UHFFFAOYSA-N 318.421 3.201 0 40 DGAB O=c1c2ccccc2cnn1Cc1ccccc1C(F)(F)F 22003026 KOIJXBSNFYOZJW-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB Cc1ccc2nc(NC(=O)c3nn(C)cc3Cl)sc2c1 2765976 AQHPCHNYEYSXQM-UHFFFAOYSA-N 306.778 3.244 0 40 DGAB O=C(COC(=O)c1cc(Cl)c2c(c1)OCO2)c1ccccc1 8546648 FATQFIQUTIIQQW-UHFFFAOYSA-N 318.712 3.108 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3)nc2)c1 22326624 PNBGIXGKPGOEEC-UHFFFAOYSA-N 311.385 3.008 0 40 DGAB CCOc1ccccc1NC(=S)NC(=O)c1cccc(F)c1 9064041 WMSURJFNUOLCFM-UHFFFAOYSA-N 318.373 3.351 0 40 DGAB C[C@H]1CCCN(C(C)(C)CNC(=O)NCCc2cccs2)C1 54540861 ITSKDLFKEAEIQL-AWEZNQCLSA-N 323.506 3.100 0 40 DGAB O=C1N[C@@H](c2cccc(OC3CSC3)c2)Nc2ccccc21 20244047 YHUMXTDQECWXOR-INIZCTEOSA-N 312.394 3.035 0 40 DGAB CC(=O)c1ccc(NC(=O)N(Cc2ccccn2)C2CC2)cc1 42755290 SBHRXXFCSIUPEU-UHFFFAOYSA-N 309.369 3.481 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1cc(Cl)c2c(c1)OCO2 25768320 DWTCEKYBULGLBF-UHFFFAOYSA-N 322.773 3.266 0 40 DGAB CCN(C(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1)C1CC1 57391638 MDHMDHXSXYNEEZ-QGZVFWFLSA-N 316.401 3.103 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccccc2F)CC1 35572063 WQZKZFIHTLSMTL-UHFFFAOYSA-N 323.364 3.179 0 40 DGAB Cc1nc(COC[C@@H]2CC[C@H]3[C@H](CCN3CC3CC3)O2)cs1 107205160 YEBQSXMZPZGFKN-ULQDDVLXSA-N 322.474 3.000 0 40 DGAB CC(=O)CSc1nc2ccccc2c(=O)n1Cc1ccccc1 3221485 OLTWRWFDFANPNW-UHFFFAOYSA-N 324.405 3.126 0 40 DGAB COCCOCCC(=O)Nc1ccc(NC2CCCCC2)cc1 58265316 WOVOYYVPJUHESD-UHFFFAOYSA-N 320.433 3.423 0 40 DGAB O=C(c1c[nH]c2ccc(Cl)cc2c1=O)N1CCc2ccccc21 44901181 BVARHNCZYNVEPN-UHFFFAOYSA-N 324.767 3.384 0 40 DGAB Cc1cc(CN(C)C(=O)C2=Cc3cc(Cl)ccc3OC2)no1 44911497 IUANZJSJUAFYJY-UHFFFAOYSA-N 318.760 3.071 0 40 DGAB CC(C)Oc1ccccc1NC(=O)[C@@H](C)OC[C@H]1CCCCO1 58323786 ZNLIBVOAJZJPON-HUUCEWRRSA-N 321.417 3.387 0 40 DGAB CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)cc2)CC1 58377802 WXQWJMIEGZNVSK-ZDUSSCGKSA-N 324.852 3.098 0 40 DGAB CCn1nccc1CNC(=O)C(c1ccccc1)c1ccccc1 28219549 DMBLOQVYSFUYMS-UHFFFAOYSA-N 319.408 3.351 0 40 DGAB C[C@H]1C[C@H](C)CN(CCC(=O)Nc2ccnn2C2CCCC2)C1 12760697 SVTMYFSTVMOJMI-GJZGRUSLSA-N 318.465 3.305 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C[C@@H](C)c2ccccc2)n1 48325968 ABUNLQQNSGKCIE-LSDHHAIUSA-N 313.445 3.446 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1C 14104615 ARAKUDMLNGERIV-CYBMUJFWSA-N 310.353 3.411 0 40 DGAB Cc1oc(C)c(C(=O)N2CCN(Cc3ccccc3)CC2)c1C 14139902 CYHIQPAWUVVTPQ-UHFFFAOYSA-N 312.413 3.163 0 40 DGAB CCOC(=O)CN(C(=O)c1ccc(C(F)(F)F)cc1)C(C)C 65606533 QARUSKMCKKIQQT-UHFFFAOYSA-N 317.307 3.119 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccc(Cl)cc1 4601946 PKHRZXIAJVXUFA-CYBMUJFWSA-N 324.852 3.289 0 40 DGAB O=C(NC1CCC(O)CC1)N1CCC[C@H](c2ccccc2)CC1 67042138 HFHVFKYINVUPOT-AOCRQIFASA-N 316.445 3.269 0 40 DGAB CCc1ccc(-n2cc(C(=O)NC3CCCCCC3)nn2)cc1 67262055 ANQBAIVNIDKJHB-UHFFFAOYSA-N 312.417 3.282 0 40 DGAB Cc1cccc(OC[C@@H](O)CNC23CC4CC(CC(C4)C2)C3)c1 7015488 UXRVMLGSHSRAGA-AZRLCKCBSA-N 315.457 3.293 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cccn2Cc2ccccc2)o1 68507172 ZJRKFUQSOYCWIB-LBPRGKRZSA-N 311.341 3.146 0 40 DGAB O=C(c1cc(F)ccc1F)N1CCN(c2ccccc2F)CC1 16493943 KURWXLJFVQKNNC-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB COc1ccc(SCc2nnc(C3CCC3)n2C)cc1OC 96008320 NHYVEHGFZKMSSY-UHFFFAOYSA-N 319.430 3.392 0 40 DGAB Cc1ccc(C)c(C[S@](=O)CC(=O)Nc2ccccc2C)c1 69326643 FUCUFAHCDOXOQV-JOCHJYFZSA-N 315.438 3.499 0 40 DGAB CCc1nc(CC(=O)N[C@@H]2CCCOc3ccccc32)cs1 69419552 WZFKAXGKIWHRFX-CQSZACIVSA-N 316.426 3.278 0 40 DGAB CCn1cc(C(=O)N[C@H](c2cc(F)ccc2F)C2CC2)cn1 96432691 WPUKZCJOOBXHGL-HNNXBMFYSA-N 305.328 3.062 0 40 DGAB CCC1(CO)CCN(C(=O)NC[C@@H](C)c2ccsc2)CC1 96486853 NGPQNIPJQWIRIF-CYBMUJFWSA-N 310.463 3.046 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccsc1 71820933 HCMHAPKBDQKKOR-CQSZACIVSA-N 315.394 3.383 0 40 DGAB c1ccc(-c2cc(CN3CCC[C@@H]3Cn3cccn3)on2)cc1 71875583 FJXPNWXTWPKZOS-MRXNPFEDSA-N 308.385 3.203 0 40 DGAB COc1c(NC(=O)c2ccc(C(F)(F)F)cc2)c(C)nn1C 71908551 PMJXMWZRBAQXOG-UHFFFAOYSA-N 313.279 3.008 0 40 DGAB O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@H]1CCCN1 72501575 QMHRRCZRLVASLY-CQSZACIVSA-N 317.776 3.218 0 40 DGAB O=S1(=O)CCC[C@@H]1CN[C@@H](CC1CCC1)c1ccccc1 97034751 NRIZTVJGMVHWKG-SJORKVTESA-N 307.459 3.085 0 40 DGAB O=C(Cc1ccccc1O)N1CCc2c(Cl)cccc2C1 72292565 KPCNVGZFJJGDKI-UHFFFAOYSA-N 301.773 3.173 0 40 DGAB Cc1cccc(OC[C@H](O)CNC(C)(C)c2nc(C)cs2)c1 95431990 GOKOZUOZEWELDJ-CQSZACIVSA-N 320.458 3.025 0 40 DGAB Cc1c[nH]cc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 95954384 NVNDZUMRPJFFHN-JKSUJKDBSA-N 302.349 3.112 0 40 DGAB Cc1cccc([C@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)c1 89669366 VMCIBEJUMADQEQ-QGZVFWFLSA-N 314.410 3.106 0 40 DGAB Cc1cscc1C(=O)N(Cc1ccco1)C[C@H]1CCCO1 89708874 AOHJQVIAZGYLAK-CQSZACIVSA-N 305.399 3.471 0 40 DGAB CCOc1cc2c(cc1CNC(=O)CC(C)(C)C)O[C@@H](C)C2 24645880 YHULUFBQELQRII-LBPRGKRZSA-N 305.418 3.461 0 40 DGAB CCOC(=O)c1ccc(C(=O)COCc2ccccc2)s1 309974271 PTXFICZAKRHOPJ-UHFFFAOYSA-N 304.367 3.324 0 40 DGAB CN(Cc1cccnc1)C(=O)N[C@@H](C1CCCC1)C(F)(F)F 127612429 XKJRQOVJWBCDPF-ZDUSSCGKSA-N 315.339 3.344 0 40 DGAB Cc1cccc(CSCCNC(=O)COc2ccccc2)c1 408905850 ABOMLHLBZMPJLW-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB Cc1ccc(-c2nnc(CN(C)C(=O)c3ccccc3)o2)cc1 408714637 TVFURCBFEAXUKF-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB C[C@@H](NCc1noc(-c2ccccc2F)n1)[C@@H]1C[C@H]1C1CC1 529554507 CBAHNDZVBWEMBI-SWHYSGLUSA-N 301.365 3.400 0 40 DGAB CNC(=O)Nc1ccc(NC(=O)c2cccc3cccnc23)cc1 32903372 BTELIVCPTBMLBC-UHFFFAOYSA-N 320.352 3.238 0 40 DGAB COCc1cccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)c1 79309599 BGKAPKIZNKAFSU-LJQANCHMSA-N 309.409 3.463 0 40 DGAB O=C(c1c(F)cccc1Cl)N1CCC2(CC1)OCCS2 70637245 VKPQCCCVOGUQKH-UHFFFAOYSA-N 315.797 3.175 0 40 DGAB Cc1cccc2nc(C3CCN(C(=O)c4ccon4)CC3)oc12 188481867 BQWRBXXHTIXRQR-UHFFFAOYSA-N 311.341 3.144 0 40 DGAB CC[C@]1(C)CN(C(=O)NC[C@H](c2cccnc2)C(C)C)CCO1 188171590 OVNPOZOLIHVTLU-FUHWJXTLSA-N 319.449 3.032 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)oc2c1)N1CCSCC1 79852334 NJWABUXKSWHOHS-UHFFFAOYSA-N 303.387 3.286 0 40 DGAB CN(C)c1ccc(N/C=C/C(=O)c2ccc3c(c2)OCO3)cc1 44842471 JPALCKKDJKBEMQ-MDZDMXLPSA-N 310.353 3.290 0 40 DGAB Cc1ccc(CC(=O)NCCOc2ccc(F)cc2)cc1C 224240270 GVSSLWXMECFPHR-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)NCc1cc(C)on1 48985418 DQCBPKFXVAWRMW-UHFFFAOYSA-N 310.353 3.465 0 40 DGAB CCN(C[C@H]1CCN(C(=O)c2ccsc2)C1)CC(F)(F)F 81448293 XMKBQWLKGQYYAJ-LLVKDONJSA-N 320.380 3.094 0 40 DGAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCC[C@@H](O)C1 75156867 VPOKQOBRFGQLIP-QZTJIDSGSA-N 324.424 3.379 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)NCC(C)C 225675725 LBZPAQKKGPEHDQ-CYBMUJFWSA-N 324.852 3.239 0 40 DGAB CC[C@H]1OCCC[C@@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 575603103 QUOFYZCSJIGJJH-LSDHHAIUSA-N 313.401 3.231 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 193394236 JECLLLOTKLKALH-LBPRGKRZSA-N 308.447 3.165 0 40 DGAB CC(C)(C(=O)NCc1nnc(C2CC2)n1C1CC1)c1ccccc1 97376118 PUQFPPHDZFXPCJ-UHFFFAOYSA-N 324.428 3.084 0 40 DGAB C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 95422865 FNPQCDJKTZNANN-JQWIXIFHSA-N 314.401 3.273 0 40 DGAB Clc1nc(Cl)c(I)c(Cl)n1 95930001 MFBKQYDNIUTLRN-UHFFFAOYSA-N 309.321 3.041 0 40 DGAB COC[C@H]1CCC2(CCN(Cc3ccc(C)s3)CC2)N1C 96209486 BVXIXKAOTBMVRM-OAHLLOKOSA-N 308.491 3.132 0 40 DGAB Cc1ccc(CN(C)C)cc1NC(=O)Cn1ncc2ccccc21 96451800 CWLDWXKEXURPIK-UHFFFAOYSA-N 322.412 3.045 0 40 DGAB c1csc(CN2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@H]32)c1 96055343 WMPMQDGVPGSFNJ-DJIMGWMZSA-N 302.443 3.229 0 40 DGAB COc1ccccc1COC1CCN(Cc2cncs2)CC1 97235553 MYWHPTDGCNAFON-UHFFFAOYSA-N 318.442 3.333 0 40 DGAB CN(C)C(=O)C(F)(F)Sc1ccc(Br)cc1 256053715 SODYJGZIVRMABC-UHFFFAOYSA-N 310.163 3.222 0 40 DGAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccc(C)cc2)nc1 257304973 SNXQTOYHUZYJGL-HXUWFJFHSA-N 323.440 3.363 0 40 DGAB Cn1cc(CN2CCC[C@H](c3cnccn3)C2)c2cc(F)ccc21 257227302 FOPRZTJUQSNVAU-AWEZNQCLSA-N 324.403 3.487 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 257316451 VFQIHCZEKIVMNH-SNRMKQJTSA-N 323.440 3.052 0 40 DGAB O=C(c1c(F)cccc1F)N1CCC(Cc2ccncc2)CC1 257211382 BYQKDMRRARISHL-UHFFFAOYSA-N 316.351 3.455 0 40 DGAB Cc1ccccc1-n1nc(C(=O)O)c(N(C)C2CCCCC2)n1 256047699 OAIMYOJSAVYILN-UHFFFAOYSA-N 314.389 3.043 0 40 DGAB Fc1ccc(Oc2ccccc2)c(OCCN2CCOCC2)c1 585266249 YJOGHIYREYLHKS-UHFFFAOYSA-N 317.360 3.329 0 40 DGAB Cn1cc(CSc2nnc(-c3ccc(Cl)cc3)o2)cn1 75568056 BUABHCSIBZSNAY-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB Cc1ccc(CN2Cc3cc4ccccc4nc3O[C@H](C)C2=O)o1 72346413 OUMBZSGQAFLWSW-CYBMUJFWSA-N 322.364 3.446 0 40 DGAB CC(C)(C)N(C(=O)O)c1nc(Br)c(C=O)s1 888088103 CDOBIYDAODDZFY-UHFFFAOYSA-N 307.169 3.001 0 40 DGAB Cc1nc(-c2c(C)oc3c4c(ccc3c2=O)OCO4)cs1 5378077 BIBNQWDVCODSSB-UHFFFAOYSA-N 301.323 3.262 0 40 DGAB Cn1cc([C@H]2CCCCCN2C(=O)c2ccccc2F)cn1 12232523 PECPBMHZYFARFI-MRXNPFEDSA-N 301.365 3.317 0 40 DGAB COc1ccccc1CN1CCN(Cc2ccccc2C)CC1 19781947 DMZDNQLVTWFOPI-UHFFFAOYSA-N 310.441 3.321 0 40 DGAB O=C(CSc1nnc(-c2ccco2)o1)NC1CCCCCC1 4143963 KZXOVELGHDCKPR-UHFFFAOYSA-N 321.402 3.261 0 40 DGAB CC(C)C[C@H](NC(=O)CN1CCSC1=O)c1ccccc1 30893756 HKFXVDULHCAYCN-AWEZNQCLSA-N 306.431 3.059 0 40 DGAB CN1CCCC[C@@H]1C1CCN(C(=O)Cc2cccc(F)c2)CC1 1614946606 ZEVRSZYNHTYDMV-GOSISDBHSA-N 318.436 3.091 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)c1ncc(-c2ccccc2)o1 206584724 JCVZRWMUKQFIRB-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB O=C(Nc1cccc2cccnc12)N1CC[C@H](OCC2CC2)C1 575618301 LDGMLZWXQTWTFJ-HNNXBMFYSA-N 311.385 3.268 0 40 DGAB CCOC(=O)C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 40460366 FJFIHIQCEXKQNW-UHFFFAOYSA-N 314.385 3.117 0 40 DGAB CNc1cc(C(=O)Nc2cccc(COC)c2)cc(Cl)n1 50787115 PRAIJDRZDTWILC-UHFFFAOYSA-N 305.765 3.175 0 40 DGAB Cc1cc(C)nc(SCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 102182603 QIPGXEQGRMPFOG-QPSCCSFWSA-N 319.474 3.126 0 40 DGAB Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(-n3cnnc3)c2)s1 69416904 BIWVYXACUJAVNY-GJZGRUSLSA-N 324.409 3.379 0 40 DGAB CC(C)(C(=O)NCCc1nccs1)c1ccccc1Cl 69457637 KNAAUWDGYYWCTK-UHFFFAOYSA-N 308.834 3.433 0 40 DGAB O=c1[nH]c(CN2CCCc3cc(F)ccc32)nc2ccccc12 32825535 UEMWXWLKHPKXTB-UHFFFAOYSA-N 309.344 3.015 0 40 DGAB C[C@H]1CCc2cc(F)ccc2N1C(=S)NC[C@@H]1CCCO1 2770935 HYDBKJDKAGNQGB-FZMZJTMJSA-N 308.422 3.020 0 40 DGAB CCOCCCNC(=O)C1c2ccccc2Oc2ccccc21 2728261 SJLIMSVIHFSASF-UHFFFAOYSA-N 311.381 3.467 0 40 DGAB O=C(COc1cc(Cl)ccc1C(=O)O)Nc1ccccc1 1749775 NHGBFODNUUYJAS-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB O=C(NCCCNc1ccc(C(F)(F)F)cn1)c1ccccc1 32911988 HCIHWIILXOIEMV-UHFFFAOYSA-N 323.318 3.332 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccccc1Cl 3507167 DIPJKMDKCPCACH-FZMZJTMJSA-N 309.793 3.192 0 40 DGAB COc1ccccc1N1CCN(C(=O)CCC2CCCC2)CC1 505421 JZRLHMCGIXGJEG-UHFFFAOYSA-N 316.445 3.314 0 40 DGAB CSCC(=O)NCc1cccc(OCc2ccccc2)c1 53573901 GYFIFOFHYOMECS-UHFFFAOYSA-N 301.411 3.245 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCCCN1CCCCC1 10276847 SKSNEXLZQLTDBV-MDZDMXLPSA-N 306.837 3.345 0 40 DGAB COc1ccc(C(=O)NCCSCc2ccccc2F)cc1 10280070 RLXQTROFJVVJBN-UHFFFAOYSA-N 319.401 3.498 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@H]2C[C@@H]2c2ccco2)no1 84284842 VCIAYGFMEVTYQK-QWRGUYRKSA-N 317.389 3.115 0 40 DGAB Cc1[nH]c(/C=C2/C(=O)Nc3ccccc32)c(C)c1CCC(=O)O 12404521 NHFDRBXTEDBWCZ-NTEUORMPSA-N 310.353 3.141 0 40 DGAB investigational CCCC(=O)N(Cc1cc2cc(C)ccc2[nH]c1=O)C(C)C 1267860 MWQVKZNYMMEPEN-UHFFFAOYSA-N 300.402 3.374 0 40 DGAB O=C1N=C(N2N=C(c3ccco3)C[C@H]2c2ccco2)CS1 97166266 JDXBFOXLHOVWLR-JTQLQIEISA-N 301.327 3.289 0 40 DGAB CN(C(=O)CSc1ncnc2ccccc12)c1ccccc1 3263461 NXNIRKQHMQRWEC-UHFFFAOYSA-N 309.394 3.385 0 40 DGAB CCc1nn2c(C)c(C(=O)OC(C)C)nnc2c1-c1ccccc1 20797762 UEAIMIYUPJNTIS-UHFFFAOYSA-N 324.384 3.227 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2c(C)noc2n1 102128146 BCULXEWUHNBOIE-FMKGYKFTSA-N 313.401 3.394 0 40 DGAB CCc1ccc([C@H](NC(=O)N2CC[C@@H]([C@H](C)O)C2)C(C)(C)C)o1 108497799 ALWDHJTXNRTJPC-ZENOOKHLSA-N 322.449 3.342 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100397574 CXJSEJWMMXJMDC-GRUDOPTHSA-N 313.784 3.206 0 40 DGAB CC(=O)Nc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1 58232220 JUAXHYWTKUQUEY-KRWDZBQOSA-N 318.804 3.122 0 40 DGAB O=C(c1cn(C2CCCCC2)nn1)N1CC[C@H]2CCCC[C@H]21 97212595 CTBDXXXCXMCCEM-CZUORRHYSA-N 302.422 3.188 0 40 DGAB Cc1cccc(C(=O)NC[C@@](O)(c2ccccc2)C(F)(F)F)c1 58313911 CZEWBFFADPBTSH-MRXNPFEDSA-N 323.314 3.175 0 40 DGAB O=S(=O)(NC1CCCCCCC1)c1ccc2c(c1)CCN2 20431760 YLAVJYVWCCHEHE-UHFFFAOYSA-N 308.447 3.046 0 40 DGAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(F)cc1 10677204 HNYDAGUDRJGEQT-MRXNPFEDSA-N 305.374 3.255 0 40 DGAB C[C@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1F 12785734 GCXYQQKJNKSBCZ-NSHDSACASA-N 310.328 3.158 0 40 DGAB Cc1cc(C)c(NCC(=O)NCCc2cccs2)c(C)c1 48333734 VAQIYEWQTUKNCF-UHFFFAOYSA-N 302.443 3.444 0 40 DGAB CC(C)C(=O)NC[C@@H]1CCCN(C(=O)CCC2CCCCC2)C1 69530307 DJTMBJUWNXDSIH-KRWDZBQOSA-N 322.493 3.358 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1ccc2ccccc2n1 3513755 HRZVFQTUGMTWFD-UHFFFAOYSA-N 320.348 3.339 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)c(C)c1 12988928 ZJXJYDCIJOIJBH-CXAGYDPISA-N 318.442 3.004 0 40 DGAB CC[C@@H](C)NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O 408809368 LBNIXPWLCLPGIT-GFCCVEGCSA-N 316.401 3.168 0 40 DGAB O=C(CSc1ncn[nH]1)Nc1ccccc1-c1ccccc1 8578819 HWLHAFICYMDTQK-UHFFFAOYSA-N 310.382 3.203 0 40 DGAB COc1ccc(OCCOC(=O)c2c[nH]c3ccccc23)cc1 5090680 XNFDEWISCFJFGA-UHFFFAOYSA-N 311.337 3.412 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)Nc1cc(F)ccc1F 65303170 LTUYHGCKLICIFW-MRVPVSSYSA-N 308.332 3.198 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)cc1O 14020793 CPCGMOGOVOEMOV-CYBMUJFWSA-N 313.353 3.193 0 40 DGAB Cc1cnc(NS(=O)(=O)c2ccc(F)cc2Cl)s1 65626075 GYTBETGSZSALGF-UHFFFAOYSA-N 306.771 3.045 0 40 DGAB COCCc1nc(C)c([C@H](C)N[C@H]2CCCSC2)s1 92766498 SAVDODUXVKAUEW-JQWIXIFHSA-N 300.493 3.187 0 40 DGAB CCOc1ccc(-c2cc(C(=O)Nc3cc(C)on3)no2)cc1 21786665 BWMYKYDIPGGYPL-UHFFFAOYSA-N 313.313 3.289 0 40 DGAB O[C@@H](CN[C@H]1CCCc2ccccc21)COCc1cccs1 6936604 ILAGAXNGVKOPJC-YJBOKZPZSA-N 317.454 3.293 0 40 DGAB CCc1cc(C(=O)N2CC(=O)Nc3ccccc32)sc1C 9058011 DFTQDYGYNGLZFW-UHFFFAOYSA-N 300.383 3.218 0 40 DGAB Cc1cc(OCC(=O)N[C@H](C)c2ccccn2)ccc1Cl 9368374 VUHNSGJTBUNGHH-GFCCVEGCSA-N 304.777 3.300 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)c1 8259545 IWDHWMFIVUNMMB-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB COC(=O)c1cc(NC(=O)C[C@H](C)n2cccc2)cc(C)c1C 95398007 DVNDBNPGPDVTCZ-ZDUSSCGKSA-N 314.385 3.481 0 40 DGAB CC(C)[C@@H](C)N(C(=O)Cc1cc2ccccc2[nH]c1=O)C1CC1 71844017 XJCIFTXRDOJYLN-CYBMUJFWSA-N 312.413 3.106 0 40 DGAB C[C@@H]1CN(c2nccc(C(F)(F)F)n2)C[C@H](c2ccccc2)O1 71827993 OHKKTYGFIBPYNZ-DGCLKSJQSA-N 323.318 3.462 0 40 DGAB c1ccc(CN2CCC[C@H](NCc3cccc4c3OCO4)C2)cc1 95350420 BDMMUVNTSIBPSV-SFHVURJKSA-N 324.424 3.170 0 40 DGAB COC1(CNC(=O)Nc2ccc3nn(C(C)C)cc3c2)CCC1 97056786 WURWVJUDCHXHMQ-UHFFFAOYSA-N 316.405 3.308 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](c1cccs1)C(C)(C)C 72285236 DMCCOIFMCXXRSL-HNNXBMFYSA-N 320.462 3.404 0 40 DGAB CC1(C)CCc2nc(CN(CCO)C3CCCC3)sc2C1 95453821 ICTMRZBVVRGQFI-UHFFFAOYSA-N 308.491 3.395 0 40 DGAB Cc1nc(C)c(C(=O)Nc2cc(-c3c(F)cccc3F)[nH]n2)o1 95409022 KHZVHGJQOCSNPN-UHFFFAOYSA-N 318.283 3.212 0 40 DGAB COCCCNC(=O)N(C)CCc1cccc2ccccc12 89346461 JNSSDPDXKOPMOJ-UHFFFAOYSA-N 300.402 3.060 0 40 DGAB Cc1nc(C2CCCC2)sc1C(=O)N[C@H](CO)CC(C)C 89559320 CZTDDDQYYZNWTJ-ZDUSSCGKSA-N 310.463 3.246 0 40 DGAB O=C(c1cccnc1-n1cccn1)N1CCC2(CCCCC2)C1 89774281 WRRLBJDCHSBOJJ-UHFFFAOYSA-N 310.401 3.064 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 89754999 PYKGHUKTWONPCX-AAEUAGOBSA-N 315.870 3.104 0 40 DGAB CC(C)c1cc(Br)ccc1NC(=O)N(C)CCO 89882536 TZSWFXOTUVYSEO-UHFFFAOYSA-N 315.211 3.029 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2cccc(F)c2)C1=O 36635556 APSVVSKZOLVDCB-HNNXBMFYSA-N 312.344 3.132 0 40 DGAB O=C(CSCc1ccccc1)Nc1nc2c(s1)COCC2 77155666 UZIJXNMOSWSKBF-UHFFFAOYSA-N 320.439 3.088 0 40 DGAB Cc1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCCCCC2)s1 72243445 TZPLIMAAWQHEMC-UHFFFAOYSA-N 316.426 3.428 0 40 DGAB COc1ccc(C(=O)Nc2cccc(-c3nc(C)no3)c2)cc1 33012764 DSPYAZPAVMJCGC-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CCOC(=O)c1nn(-c2cc(Cl)cc(Cl)c2)nc1C 73635723 YXYFUWCOFMMVLM-UHFFFAOYSA-N 300.145 3.059 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)cc2)C1=O 36635537 AHEBHLGYDMEWED-INIZCTEOSA-N 308.381 3.301 0 40 DGAB O=C(N[C@H]1CCOc2ccc(F)cc21)c1coc(CC2CC2)n1 187658067 ADZCNWTYBTTXAQ-ZDUSSCGKSA-N 316.332 3.020 0 40 DGAB Fc1cccc(-c2nc3cc(CN4CCOCC4)ccc3o2)c1 216840268 DLUZCEANJPOSDT-UHFFFAOYSA-N 312.344 3.466 0 40 DGAB Cc1c(NC(=S)NCc2ccccc2)cccc1C(=O)O 216927867 HNAMGINYOPTCMV-UHFFFAOYSA-N 300.383 3.180 0 40 DGAB N[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 72228174 XXGSLTJRFBSTIB-LSDHHAIUSA-N 321.207 3.404 0 40 DGAB CC(C)Oc1cccc(CNC(=S)Nc2ccncc2)c1 225525304 IMXSKPKBOZFOAQ-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC(C)(C)C 223312546 LZFIFFOJOKMQLS-INIZCTEOSA-N 318.461 3.427 0 40 DGAB O=C(CC1=CCCCC1)Nc1cccc(N2CCCNC2=O)c1 81173740 YRSWZFXZRSFZCN-UHFFFAOYSA-N 313.401 3.435 0 40 DGAB CCCCNC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225373947 DZDSKVBYASYVCF-UHFFFAOYSA-N 300.811 3.213 0 40 DGAB COc1cccc(NC(=O)N[C@H]2CCO[C@H]2c2ccccc2)c1 83062638 FWMNEICQRXBPDI-IRXDYDNUSA-N 312.369 3.347 0 40 DGAB COc1ccc(O[C@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225026210 LKCDUARDILOSBX-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)cc1 225724459 MUFJGMLYDJTIGH-SFHVURJKSA-N 321.417 3.246 0 40 DGAB Cc1ccc(-n2cnc(C(=O)NCc3ccccc3F)c2)cc1 226754312 CULPNCKVSNQSCL-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1F 42646235 VQBGNFQLKPKNRU-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB COc1ccc(CCn2cnc3c(C)csc3c2=O)cc1 191129188 PNYSZKQGTIRRPV-UHFFFAOYSA-N 300.383 3.018 0 40 DGAB COc1c(I)cc(C(C)(C)C)cc1C=O 196382836 OGDHVJFPWCDSBT-UHFFFAOYSA-N 318.154 3.410 0 40 DGAB COc1cccc(C(=O)NCCSC2CCCC2)c1OC 46450258 ZVNIQEDBIHGSMU-UHFFFAOYSA-N 309.431 3.109 0 40 DGAB C/C=C/CCNC(=O)N(C)[C@@H](C)c1ccc([S@](C)=O)cc1 83228580 CTFREKIFFAJWOS-DSVMSDIYSA-N 308.447 3.093 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1 225604164 DJMIFGKYODZKGE-LBPRGKRZSA-N 316.426 3.113 0 40 DGAB CCC1=N[C@@]2(CC[C@@H]3CN(CC(C)C)C[C@@H]32)C(=O)N1CC(C)C 96261686 IUFYKJDSYXNBDE-JTDSTZFVSA-N 319.493 3.030 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCc1ccccc1-n1ccnc1 91211723 QZYVRGSNUNCFNQ-JXMROGBWSA-N 321.355 3.341 0 40 DGAB NC(=O)[C@H](Nc1ccc(Br)c(F)c1)c1ccccc1 96437205 LKUVADDAGHLMOG-CYBMUJFWSA-N 323.165 3.227 0 40 DGAB CC1(C)[C@H](NCc2nc(-c3ccsc3)no2)[C@@H]2CCCO[C@H]21 578485202 AWQOOLHMCAIBRK-IACUBPJLSA-N 319.430 3.091 0 40 DGAB CCCN1CC[C@]2(CCCN(CCOc3ccccc3)C2)C1 96216422 GISDWOVRTVANHP-LJQANCHMSA-N 302.462 3.263 0 40 DGAB CC[C@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1nccs1 97234481 HBWQPORVXBUWHS-QWHCGFSZSA-N 319.434 3.254 0 40 DGAB COc1ccc(C(=O)NC[C@H](OC)c2ccc(C)s2)cc1F 96104765 AFHKLLFMPBLBRZ-AWEZNQCLSA-N 323.389 3.322 0 40 DGAB COC(=O)N1CCC(N[C@H](C)c2ccc(F)cc2Cl)CC1 95420813 JONKFXLKMJSEGO-SNVBAGLBSA-N 314.788 3.361 0 40 DGAB O=C(Nc1ccc(F)c(Br)c1)N1CCSCC1 96435592 ZJRVNZVDTHNWSO-UHFFFAOYSA-N 319.199 3.169 0 40 DGAB CO[C@](C)(C(=O)N[C@@H](C)c1ncccc1F)c1ccccc1F 585087975 FDFARJVGOPTWDB-GTNSWQLSSA-N 320.339 3.099 0 40 DGAB CSC[C@@H](C)C(=O)NCc1ccc(Oc2ccccc2)cn1 585130573 VDMLORZJPNILBZ-CYBMUJFWSA-N 316.426 3.489 0 40 DGAB CCOc1ncc[nH]c1=N[C@@H](c1cccc(C)c1)c1ccccn1 541899346 IDGZXUVALOMGGJ-KRWDZBQOSA-N 320.396 3.202 0 40 DGAB COC1(CNC(=O)/C=C/c2ccoc2)C2CC3CC(C2)CC1C3 96393464 NYEJQMWDOGSWID-NSCUHMNNSA-N 315.413 3.250 0 40 DGAB COc1cc(NC(=O)N2CCSCC2)cc(OC)c1C(C)C 390833587 JUOUVGOPRLXFLP-UHFFFAOYSA-N 324.446 3.408 0 40 DGAB O=C(c1nc2ccccc2s1)N1CCn2nc(C3CC3)cc2C1 390830233 JQQYWGBZEHDRDA-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB O=C(COC1CCCC1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946634 JXNKBMAKAIBEEX-WMZOPIPTSA-N 321.392 3.121 0 40 DGAB COc1ccc(NC(=O)CSc2ccc(OC)cc2)cc1 5661613 QJZNBARKGXMQII-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB O=c1[nH]n(-c2ccccc2)c(=O)c2ccc(-c3ccccc3)cc12 16493250 KJJGQSSDXMZNEG-UHFFFAOYSA-N 314.344 3.346 0 40 DGAB COc1ccc(-c2ccc(C(=O)O)o2)cc1NC(=O)C(C)C 226352335 MJYHWEDESFNCBK-UHFFFAOYSA-N 303.314 3.248 0 40 DGAB CCN1C(=O)C(C)(C)COc2cc(NC(=O)CC(C)C)ccc21 10972087 CMGZHKBQOQEKBL-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB CC(C)(C)c1csc(NS(=O)(=O)c2ccc(F)cc2)n1 28248149 MCZHCSISQCLFEV-UHFFFAOYSA-N 314.407 3.381 0 40 DGAB CN(CCOc1ccccc1)C(=O)CCc1nc2ccccc2[nH]1 11660326 FDDJYFNLSSZEAS-UHFFFAOYSA-N 323.396 3.033 0 40 DGAB Cc1cccc(-c2ccc(C[C@@]3(C(=O)N(C)C)CCCN3)cc2)c1 953049264 FZRDPSIMNVECOZ-OAQYLSRUSA-N 322.452 3.415 0 40 DGAB c1cncc(-c2ccc(SCc3cn4ccccc4n3)nn2)c1 38719310 SAIYRSPVXIMWBO-UHFFFAOYSA-N 319.393 3.479 0 40 DGAB CC(C)(CNCc1ccc(Cl)c(Cl)c1)N1CCOCC1 21516759 CLAAQGNQPWOWMM-UHFFFAOYSA-N 317.260 3.194 0 40 DGAB COc1ccc(C)cc1-n1cnc2sc(C)c(C)c2c1=O 274975 WBJPBNXVDAAHNI-UHFFFAOYSA-N 300.383 3.381 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)cc1 5154062 GFHAIHUMUYJWPJ-UHFFFAOYSA-N 320.392 3.473 0 40 DGAB CSc1ccc(-c2nnc(NC(=O)c3ccco3)o2)cc1 5240355 WARRAMRQTVJEMA-UHFFFAOYSA-N 301.327 3.304 0 40 DGAB Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)n(C)n1 12443963 MVKUTIOQVBBROF-UHFFFAOYSA-N 319.364 3.212 0 40 DGAB Clc1cccnc1OC[C@@H]1CCCN(Cc2cccnc2)C1 1849487450 WBOXKEGTNBPRSC-OAHLLOKOSA-N 317.820 3.421 0 40 DGAB O=C(NC[C@H]1CCCO1)N(Cc1ccsc1)CC(F)(F)F 225554628 PMHXYWDEZVGCSG-LLVKDONJSA-N 322.352 3.001 0 40 DGAB C[C@@H]1CN(c2ncnc3c(Br)cccc23)C[C@@H](C)O1 40122907 NKWOOZYNQJBGKL-NXEZZACHSA-N 322.206 3.006 0 40 DGAB Cc1ccccc1OC[C@H](O)CN1CCC[C@H](C(F)(F)F)C1 40160687 KNWMAPIIJQGHQR-UONOGXRCSA-N 317.351 3.009 0 40 DGAB CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccc(C)cc1 83980 FXQSHXBDFUUTHL-UHFFFAOYSA-N 319.382 3.347 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)Nc1nnc2ccccn12 30712741 IJOWEAWRGZSDRT-UHFFFAOYSA-N 319.368 3.172 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c(cc2F)CCC(=O)N3)s1 40510262 QAFXWNLWIWROIG-UHFFFAOYSA-N 304.346 3.333 0 40 DGAB O=C(NCCCN1CCc2ccccc2C1)c1cccc(F)c1 32398867 SSMMMRAHBNEOPA-UHFFFAOYSA-N 312.388 3.004 0 40 DGAB CN(Cc1ccccc1)C(=O)Cc1ccc(N2CCCC2=O)cc1 17334538 DOBQMZYLFCYVOQ-UHFFFAOYSA-N 322.408 3.015 0 40 DGAB CC(=O)c1ccc(OCC(=O)NCc2ccc(Cl)cc2)cc1 2636599 MMHWZBPVRWAESC-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB COC(=O)C(C)(C)C(C)(C)NC(=O)Nc1cccc(Cl)c1 76092065 ZXQDCPVCWBTAQP-UHFFFAOYSA-N 312.797 3.439 0 40 DGAB O=C(NC[C@@H]1CCC[C@H]1O)Nc1cccc(-c2nccs2)c1 76069670 IGFQICJEKGDUNN-GXTWGEPZSA-N 317.414 3.093 0 40 DGAB COC(=S)SCC(=O)c1ccc(Br)cc1 1722601 ADVFQVLWHJNXEO-UHFFFAOYSA-N 305.218 3.296 0 40 DGAB Cc1cc(NCCc2nnc3ccccn23)nc2ccccc12 78435213 ZQRGNLNHGFHTKH-UHFFFAOYSA-N 303.369 3.241 0 40 DGAB CNC(=O)c1cccc(Oc2ncnc3cc(Cl)ccc23)c1 32923479 CQBQSVKWKCCQKH-UHFFFAOYSA-N 313.744 3.435 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN(c3nc(C)cc(C)n3)C2)c1 4967994 WWYYRYOASAVIDJ-INIZCTEOSA-N 324.428 3.257 0 40 DGAB Cn1nc(C(=O)N2CCCCCC2)c(Cl)c1C(F)(F)F 2775157 IZPANPMHVFBVFG-UHFFFAOYSA-N 309.719 3.109 0 40 DGAB O=C([C@H]1Cc2ccccc2O1)N1CCc2[nH]c3ccccc3c2C1 22601774 UAYYJALPEDONCB-LJQANCHMSA-N 318.376 3.056 0 40 DGAB Cc1cccc(N2CCC[C@@H](CNC(=O)c3ccccc3)C2)n1 97163353 NFMMJQNXXBMSEK-INIZCTEOSA-N 309.413 3.036 0 40 DGAB CCc1onc(C)c1NC(=O)NC[C@H](C)c1nc(C)cs1 97113504 GUGDZFQJAIDETK-QMMMGPOBSA-N 308.407 3.236 0 40 DGAB Cc1nc(NC(=O)[C@H](C)OC(=O)c2cccs2)sc1C 22737027 HZKNKPISDJLVMP-QMMMGPOBSA-N 310.400 3.005 0 40 DGAB Cc1cc(C(=O)O)c2c(C)nn(Cc3ccc(Cl)cc3)c2n1 12394297 LIWUKOYOBBJUTC-UHFFFAOYSA-N 315.760 3.448 0 40 DGAB CC(=O)NCc1ccc(-c2csc(NCc3ccco3)n2)o1 23386427 FSGDYDVYQNPUKE-UHFFFAOYSA-N 317.370 3.244 0 40 DGAB C[C@H](N[C@@H](C(=O)N(C)C)c1ccccc1)[C@H]1C[C@H]2CC[C@H]1C2 105764794 VGONDMIXYVHBEN-GCDKYVQMSA-N 300.446 3.230 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2cccnc2)c1C 12522625 KBTWDBCTPWWSOC-HNNXBMFYSA-N 311.385 3.206 0 40 DGAB Cc1cc(C[C@H](C)NC(=O)CCn2c(C)cc3ccccc32)[nH]n1 55325222 IYHIAFAAPWEOPE-ZDUSSCGKSA-N 324.428 3.119 0 40 DGAB O=C(Cc1csc(-c2ccco2)n1)NOCc1ccccc1 25039706 LUNKRZUORXAKTD-UHFFFAOYSA-N 314.366 3.194 0 40 DGAB CCc1cc(OS(=O)(=O)c2c(C)noc2C)ccc1Cl 25649565 FRKVSIYUZIOWRF-UHFFFAOYSA-N 315.778 3.275 0 40 DGAB CC[C@H](NC(=O)N[C@H]1CCCc2c1cnn2C)c1cccs1 57242385 NPLIQDUBSZNSNZ-STQMWFEESA-N 318.446 3.310 0 40 DGAB CN(C)C(=O)[C@@H](Sc1nccn1C1CC1)c1ccccc1 12647000 NNDZSPZXFRFFKF-AWEZNQCLSA-N 301.415 3.140 0 40 DGAB O=C(NCC1(c2ccccc2)CCCCC1)C1CCOCC1 58265466 IKKFSSHCSOHNFF-UHFFFAOYSA-N 301.430 3.431 0 40 DGAB Cc1cccc(-c2noc(CN(C[C@H](C)O)c3ccccc3)n2)c1 58425855 SMBRXHBIWCVOIV-HNNXBMFYSA-N 323.396 3.432 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2Cl)cc1 3388310 SBTMCRLPLYDDLZ-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)c2ccccc2N1 10641899 RVBLCUHURHGUHX-CYBMUJFWSA-N 300.745 3.405 0 40 DGAB CCn1c(=O)n(Cc2ccc(OC)c(F)c2)c2ccccc21 22025322 SYYPWSOQRHWSBX-UHFFFAOYSA-N 300.333 3.019 0 40 DGAB CCCCN(C)S(=O)(=O)N[C@@H](C)c1cc2ccccc2o1 45742218 AHHNOKDYRAUNSS-LBPRGKRZSA-N 310.419 3.060 0 40 DGAB COC[C@H](C)NC(=O)CCc1ccc(-c2ccc(OC)cc2)o1 45873192 ZECCBUGGERQJFD-ZDUSSCGKSA-N 317.385 3.039 0 40 DGAB CCCn1ccc(C(=O)Nc2nc3ccccc3n2CCC)n1 28244234 JXJCHOGSXDBXRY-UHFFFAOYSA-N 311.389 3.305 0 40 DGAB Cc1cc(F)ccc1NCc1cc(=O)n2c(C)csc2n1 13003503 PJVLWQFYOUPLOX-UHFFFAOYSA-N 303.362 3.124 0 40 DGAB Cc1cc(COc2ccc(C(=O)O)cc2Br)no1 13231582 WFHYDBKDQQSNIQ-UHFFFAOYSA-N 312.119 3.023 0 40 DGAB in-vitro Cc1cc2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)O)n2n1 13645213 DQYJOAWYADQQCL-UHFFFAOYSA-N 319.267 3.004 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 6125528 OYCVZLJRWLWZNI-HUUCEWRRSA-N 301.386 3.417 0 40 DGAB CC(C)NC(=O)N1CCCC[C@@H]1c1nc(-c2ccccc2)no1 65562401 FZJUMFGXSQEOER-CQSZACIVSA-N 314.389 3.382 0 40 DGAB Cn1ccc(NC(=O)C2c3ccccc3Oc3ccccc32)n1 5336016 UFFRUYPTHPUZCR-UHFFFAOYSA-N 305.337 3.296 0 40 DGAB CC(=O)c1cnn(-c2cc(N[C@H](C)c3ccccc3)ncn2)c1C 5345545 VRWABTLPDLKBNK-GFCCVEGCSA-N 321.384 3.346 0 40 DGAB CCc1ccc(-c2csc(NC(=O)c3cnn(C)c3)n2)cc1 14168921 OPIHZIWLQJXIKH-UHFFFAOYSA-N 312.398 3.358 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O=C(c1cnc(Cc2ccc(F)cc2)s1)N1CCCCC1 69518386 FTAZKQXWBWRJIP-UHFFFAOYSA-N 304.390 3.499 0 40 DGAB CC[C@H](C)C(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 96408164 XNAJDXNGXZSOOT-RYUDHWBXSA-N 312.360 3.029 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[C@@H]2C=CCC2)n1 71865465 UKYPKUGMYGDHJJ-SJORKVTESA-N 301.434 3.237 0 40 DGAB CN(CCOCc1ccccc1)C(=O)c1ccncc1Cl 83861012 CAPGFTRTQZFTGV-UHFFFAOYSA-N 304.777 3.024 0 40 DGAB CCc1ccc([C@H]2CCCCCN2C(=O)CCOCCOC)o1 71916064 PRJJWVWMJPIBLM-MRXNPFEDSA-N 323.433 3.339 0 40 DGAB O=C(NCc1ccc(OC(F)F)cc1)c1ccncc1Cl 73848016 LCXMBWDTAOMYCE-UHFFFAOYSA-N 312.703 3.266 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H]1CCCC[C@@H]1Cc1ccco1 95947378 HWANJUQKSBIAOP-PBHICJAKSA-N 316.401 3.345 0 40 DGAB COC(=O)N1CCC(N[C@@H]2CCCSc3ccccc32)CC1 89401032 HXRKRCRDSOEBBO-OAHLLOKOSA-N 320.458 3.434 0 40 DGAB COc1ccccc1[C@H](NC(=O)c1ccco1)c1ccccn1 89848701 YSTPZNLWETVGAV-KRWDZBQOSA-N 308.337 3.203 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2cccc(C)c2)c1 28909980 NACOZHGCNDERIT-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB Cc1ccc(C(=O)N2CC[C@H](N3CCc4ccccc4C3)C2)cc1 408609885 PHJZVVLKUSLFFT-FQEVSTJZSA-N 320.436 3.268 0 40 DGAB COc1ccc(CCC(=O)OCc2ccccc2)cc1OC 39129812 NDTOOKUCEKSNNM-UHFFFAOYSA-N 300.354 3.380 0 40 DGAB C[C@@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)n1cccc1 519699789 BKEIYKFJCIKHEG-HNNXBMFYSA-N 315.392 3.322 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@H]2CCCC[C@@H]2C)CC1=O 408709269 YRMGWGAZBILHLT-IMJJTQAJSA-N 314.429 3.043 0 40 DGAB N#CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1 32752503 WLKWLOFIAOPEOI-NTCAYCPXSA-N 303.321 3.135 0 40 DGAB O=C(c1cc(F)ccc1Cl)N1CCN(c2ccccc2)CC1 72331375 SULQBBIJPRZXOT-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB CCCN(CCc1ccccn1)C(=O)Cc1ccc(C)s1 61434284 QMEUMIMUCZMQBP-UHFFFAOYSA-N 302.443 3.475 0 40 DGAB CCc1nc2cc(C(=O)Nc3ccc(OC)cc3)ccc2n1C 225896757 KSQDDCMEINWOAG-UHFFFAOYSA-N 309.369 3.397 0 40 DGAB COC(=O)CCc1csc(-c2cnn(-c3ccccc3)c2)n1 194423339 VNOJTMMALXHDED-UHFFFAOYSA-N 313.382 3.101 0 40 DGAB Fc1ccc([C@H](NCC[C@H]2CCCO2)c2ccccc2)nc1 195560617 KZGQKDTVRXWEDA-SJLPKXTDSA-N 300.377 3.469 0 40 DGAB COCc1ccc(NC(=O)Nc2ccc([S@](C)=O)cc2)cc1 193602366 LWRYDZPFNIYBTL-QFIPXVFZSA-N 318.398 3.214 0 40 DGAB CCCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(C)=O 222824150 VZVCNMKNUVVKML-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB COc1ccc(-c2nc3cc(C)ccc3o2)cc1-n1cnnc1 45920694 JEZPPZWOWJXSCG-UHFFFAOYSA-N 306.325 3.393 0 40 DGAB COc1ccc(NC(=O)NCCCc2c(C)noc2C)cc1C 84876868 DHTMBFXLSFZLTE-UHFFFAOYSA-N 317.389 3.363 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)N2C(=O)CCCc3ccccc32)nc1 227168910 AVMAUTGIEOBIHS-CQSZACIVSA-N 323.396 3.087 0 40 DGAB C[C@H](CNC(=O)CCc1ccncc1)Sc1ccccc1 81109117 JOHQRFMBJXRRMU-CQSZACIVSA-N 300.427 3.311 0 40 DGAB CCCO[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@H](C)C1 225910490 LZTAEPBTRZMOKE-GUYCJALGSA-N 306.406 3.404 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC[C@H](c2nnc3n2CCC3)C1 191066230 MNJMGDFYUIIOSS-YESZJQIVSA-N 314.477 3.396 0 40 DGAB CC/C(=C\C(=O)NCCn1cnnc1C1CC1)c1ccc(C)cc1 96423759 GBCSSJVFEWMVAT-NTCAYCPXSA-N 324.428 3.074 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1c[nH]c2cc(Cl)ccc12 95475434 GZLXZPDWBSSNQV-GFCCVEGCSA-N 305.809 3.035 0 40 DGAB Cc1sc(N2C(=O)c3ccccc3C2=O)nc1Br 95726846 PRVCLQSVPFNANK-UHFFFAOYSA-N 323.171 3.015 0 40 DGAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3cccc(C)c3)CC2)cc1 91690152 HGEVNCCXUGKFIH-LJQANCHMSA-N 324.424 3.251 0 40 DGAB Cc1cccc(C)c1NCC(=O)N(Cc1cccnc1)C1CC1 96424041 NSPZMEMGJFHIHR-UHFFFAOYSA-N 309.413 3.302 0 40 DGAB c1ccc(-c2noc(CN[C@@H]3CCc4cccnc4CC3)n2)cc1 585136438 GDEUWJZVKFKJQK-MRXNPFEDSA-N 320.396 3.169 0 40 DGAB C[C@H](CNC(=O)C1(NC(=O)OC(C)(C)C)CC1)c1ccsc1 96472700 MSEXEJFQOVABMV-LLVKDONJSA-N 324.446 3.025 0 40 DGAB COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 242688258 VMLLEPXLBJUKPD-CXAGYDPISA-N 305.374 3.001 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)c2cccc3ncccc23)C1 257217954 DBHAJARWXCJUIJ-AWEZNQCLSA-N 320.396 3.286 0 40 DGAB Cc1ccc(NC(=O)N[C@H](Cn2cncn2)c2ccccc2)cc1 60363806 FILXZTINSAXKRL-QGZVFWFLSA-N 321.384 3.150 0 40 DGAB COc1ccc(-c2cc(CC(=O)NCc3ccccc3)no2)cc1 12866480 BJRPXELMTNUGBA-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB Cc1cc(OCC(=O)Nc2cc(N)ccc2F)ccc1Cl 19736544 XTRKUFDGVQOJJP-UHFFFAOYSA-N 308.740 3.387 0 40 DGAB CC(=O)Oc1c(C)s/c(=N\c2cccc(C)c2C)n1C(C)=O 5375688 MPOKEURAMURYLN-MSUUIHNZSA-N 318.398 3.293 0 40 DGAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)OCc1ccccc1 101565183 SADGAXUGVQIJBT-ILXRZTDVSA-N 303.358 3.041 0 40 DGAB CC(=O)N1CC[C@@H](N(Cc2ccccc2)Cc2ccccc2)C1 1169555874 MNCHCBUODDRLRY-HXUWFJFHSA-N 308.425 3.310 0 40 DGAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc12 197555 PDUKJPJMBVPKDP-VZCXRCSSSA-N 322.364 3.471 0 40 DGAB O=C(Cn1cnc2ccccc21)Nc1ccc(-c2cc[nH]n2)cc1 38490054 MPBKTIFEBSODOQ-UHFFFAOYSA-N 317.352 3.065 0 40 DGAB Cc1noc(CNC(=O)c2ccc(Oc3ccccc3)cc2)n1 44454135 KFQUGYYLZXFFPX-UHFFFAOYSA-N 309.325 3.100 0 40 DGAB O=C(/C=C/c1ccsc1)NCC[C@@H](CCO)c1ccsc1 575605547 BEZDNCWFOSMKEF-YUKKFKLSSA-N 321.467 3.495 0 40 DGAB O=C1S[C@@H](Nc2ccccc2)C(=O)N1c1ccc(F)cc1 12112992 QIHJPAVWRHZZHD-CYBMUJFWSA-N 302.330 3.464 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccc3cc[nH]c3c2)C1=O 113563040 VYKHTIXQICYZJZ-MRXNPFEDSA-N 319.364 3.220 0 40 DGAB CC(C)c1noc(CCCC(=O)NCc2ccccc2Cl)n1 40515672 KQEOFPLEBQNNKE-UHFFFAOYSA-N 321.808 3.486 0 40 DGAB O=C(Nc1ccc(C(=O)Nc2ccc(F)cc2)cc1)NC1CC1 32643671 MIIUSRHFVYTOLL-UHFFFAOYSA-N 313.332 3.362 0 40 DGAB COc1ccc(CCNC(=O)Nc2ccc(C)cc2)cc1OC 137530 GRINXTRAXRYZBY-UHFFFAOYSA-N 314.385 3.376 0 40 DGAB Cc1ccc(-n2nnnc2-c2ccc(Br)cc2)cc1 245988 VYRWQWOUKNBUQM-UHFFFAOYSA-N 315.174 3.400 0 40 DGAB Cc1cccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@H]2C)c1C 76057622 OYPCQRXTAUCZHO-CRAIPNDOSA-N 302.462 3.286 0 40 DGAB O=C(CCc1cscn1)NC[C@@H]1C[C@]12CCc1ccccc12 79070098 UKYKRWDHCZGZLX-KBXCAEBGSA-N 312.438 3.096 0 40 DGAB Cn1c(SCc2ccc(Cl)cc2)nc2c(c1=O)SCC2 4339300 QYTULRAWNVVFAD-UHFFFAOYSA-N 324.858 3.374 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 102819173 VLFMGDCSPKURTN-IHRRRGAJSA-N 315.413 3.268 0 40 DGAB COCC[C@@H](C)NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 104387281 GTXRJQJFUYTAAF-IUODEOHRSA-N 322.453 3.078 0 40 DGAB CN1C(=O)c2ccccc2N[C@@H]1c1csc(-c2ccccn2)n1 54681396 UTFUBZOSVWLZHL-HNNXBMFYSA-N 322.393 3.401 0 40 DGAB Cc1noc(NC(=O)c2cc(Br)ccc2Cl)n1 42702877 VQAYBVONQLJMOE-UHFFFAOYSA-N 316.542 3.046 0 40 DGAB O=C(NC1CCCCC1)N1CCCN(Cc2cccs2)CC1 42862163 HULCHYNMXLLSOZ-UHFFFAOYSA-N 321.490 3.298 0 40 DGAB COc1cc(CNC(=O)N[C@@H](C)c2cccc(Cl)c2)ccn1 12545863 ZWAYYNRARQOANB-NSHDSACASA-N 319.792 3.304 0 40 DGAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@@H]1C)c1cccnc1 48067978 WARAASAIRWGPQP-DZKIICNBSA-N 305.422 3.037 0 40 DGAB Cc1cc(NC(=O)NCc2cccc(Br)c2)no1 58193206 BDWNSRMEDYPEEM-UHFFFAOYSA-N 310.151 3.067 0 40 DGAB CSCC(=O)Nc1nc(-c2cc(F)ccc2F)cs1 3328674 AONOKEAKTPKXRA-UHFFFAOYSA-N 300.355 3.390 0 40 DGAB Cc1ccc(-c2nnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 58226019 TWRBZTPEVMTHQK-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB CCCSCC(=O)NCCc1coc(-c2ccccc2)n1 58380123 FMYYKCABGZDRDN-UHFFFAOYSA-N 304.415 3.144 0 40 DGAB CN(C(=O)c1ccc2c(c1)NC(=O)CO2)C1CCCCCCC1 58365763 HCOAONDYTPCQQI-UHFFFAOYSA-N 316.401 3.202 0 40 DGAB CC(C)N(C)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 36391710 BMFJEJJJNQOKBO-UHFFFAOYSA-N 322.836 3.059 0 40 DGAB CC(C)c1noc([C@@H](C)Sc2nncn2Cc2ccco2)n1 48325919 PFFKQRUJXSUKKS-SNVBAGLBSA-N 319.390 3.279 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)CSc1nnc(N)s1 3517421 GSNMQRUDVZZLEZ-UHFFFAOYSA-N 322.459 3.149 0 40 DGAB COc1ccc([C@H](C)NCc2cccc3c2OCO3)cc1OC 48785690 BGFWCRWWPCBHIF-LBPRGKRZSA-N 315.369 3.283 0 40 DGAB O[C@](Cn1cncn1)(c1ccc(F)cc1)c1ccc(Cl)cc1 4105196 XSPKMOFEAJKMSE-INIZCTEOSA-N 317.751 3.007 0 40 DGAB COc1ccc(NC(=O)Cc2cccc(C(F)(F)F)c2)cn1 5062381 VVECCNFJTMLYCT-UHFFFAOYSA-N 310.275 3.290 0 40 DGAB Cc1cc(NC(=O)C(=O)c2sc3ccccc3c2C)n(C)n1 65492253 FDKFPCNRHSYLKR-UHFFFAOYSA-N 313.382 3.073 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)n1nnc2ccccc21 6416274 UCRMPUCMKPUMJZ-SNVBAGLBSA-N 301.733 3.192 0 40 DGAB C/C=C/C=C/C(=O)Nc1ccccc1I 8986819 GZOZEPARJWDEQL-DSXPNFDZSA-N 313.138 3.362 0 40 DGAB CC(C)OCCCNC(=O)c1cc(Cl)c(O)c(Cl)c1 6652565 ZWQIXMYISVIEHZ-UHFFFAOYSA-N 306.189 3.244 0 40 DGAB CC1(COC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)COC1 66522544 OKKKNHMTYVRQCH-UHFFFAOYSA-N 321.373 3.227 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)N[C@H](C)CCCC(C)C)c1 7375195 KIIDLBIXCLVXET-CYBMUJFWSA-N 311.447 3.382 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](NCc2ccc(F)cc2)C1 67801327 PEYGKVHAIBEIBV-HNNXBMFYSA-N 308.397 3.315 0 40 DGAB CCOc1ccc(NC(=O)c2nn(-c3ccccc3)nc2C)cc1 7639622 IBCKTXFYCXPLRJ-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB Nc1nc(COC(=O)c2cccc(Cl)c2)nc2ccccc12 8163836 FNMMYMBIKQXKCG-UHFFFAOYSA-N 313.744 3.222 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)n1 70006603 PNFOODOONFJJHM-MRXNPFEDSA-N 322.412 3.286 0 40 DGAB c1ccc(-c2cc(CN3CCO[C@@H](c4ccco4)C3)n[nH]2)cc1 93841916 VFYPTYHXLUNQRX-GOSISDBHSA-N 309.369 3.243 0 40 DGAB COc1ccc(CC(=O)NCCc2csc(C(C)C)n2)cc1 69739620 MUXVTYXVPSUALU-UHFFFAOYSA-N 318.442 3.177 0 40 DGAB O=C(/C=C/c1cnn(Cc2ccccc2)c1)N1CCCCCC1 9416894 YIEZEEQIPOPMKP-ZHACJKMWSA-N 309.413 3.347 0 40 DGAB COc1ccc2oc([C@@H](C)NCc3nnc(C)o3)c(C)c2c1 97112134 XPCWLVUOFSLTME-SNVBAGLBSA-N 301.346 3.292 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)c1cc(Cl)c2c(c1)OCO2 71820714 OZPVVZPTNLDQJQ-VIFPVBQESA-N 323.801 3.491 0 40 DGAB COc1cccc(NC2CCN(CCc3ccncc3)CC2)c1 71897356 ANOQARJPRLEXLU-UHFFFAOYSA-N 311.429 3.209 0 40 DGAB O=C(O)c1ccc(NC(=O)c2noc3c2CCCC3)cc1Cl 97017598 GJHYZWYAOILTOU-UHFFFAOYSA-N 320.732 3.157 0 40 DGAB O=C(CCc1ccccn1)N1CCCC[C@H]1c1nccs1 72285812 PWNONHMIQWLYSB-AWEZNQCLSA-N 301.415 3.225 0 40 DGAB CSC[C@@H](C)C(=O)NC[C@@H](O)c1cc(Cl)cc(Cl)c1 72288003 HOGKTBOMIWSJJH-PRHODGIISA-N 322.257 3.142 0 40 DGAB CC[C@@](CO)(NCc1cc(F)c(O)c(F)c1)c1ccccc1 95409300 OLVJOVGYAZIHGC-KRWDZBQOSA-N 307.340 3.058 0 40 DGAB O=S(=O)(CCn1cc(-c2ccccc2)cn1)c1ccccc1 95438729 LSSAQIDAOOYUQY-UHFFFAOYSA-N 312.394 3.024 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1ccnnc1 95987049 UOXPWCXWWFTOET-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CS[C@@H]1CCC[C@@H](NS(=O)(=O)/C=C/c2ccccc2)C1 95960116 MPSIZMBTEWEWRR-UWLACMPISA-N 311.472 3.251 0 40 DGAB Cc1csc(CN[C@H]2CCN(c3c(F)cccc3F)C2)n1 88755437 OXPZPJUUNDYPBP-NSHDSACASA-N 309.385 3.098 0 40 DGAB CC[C@H](C(=O)N(C)Cc1cccc(OC)c1)c1c(C)noc1C 75126546 YUARJUXXEAETGT-INIZCTEOSA-N 316.401 3.452 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2cccc3ccccc23)c(=O)[nH]1 75119506 ZHAQLQYUGALIRK-UHFFFAOYSA-N 306.365 3.109 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 36635468 PMWWKZNVLVQIGG-INIZCTEOSA-N 308.381 3.356 0 40 DGAB O=C(NCCc1nccs1)N[C@H](C1CCCC1)C(F)(F)F 127469703 GBLGFDWZHLYXGX-LLVKDONJSA-N 321.368 3.106 0 40 DGAB NCCCN1c2ccccc2[S@](=O)c2ccc(Cl)cc21 31302641 YGJLHHBXRHEYRU-HXUWFJFHSA-N 306.818 3.307 0 40 DGAB in-vitro CCOc1ccc(N2CNC(c3ccccc3)=NC2=S)cc1 31903703 KNPSQQSWSAUYOB-UHFFFAOYSA-N 311.410 3.184 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C 39514847 PUAIZRMCIVHZTF-FMKPAKJESA-N 322.493 3.212 0 40 DGAB CC(C)[C@H](C)N(C(=O)c1ccc2c(c1)CCC(=O)N2)C1CC1 79317205 OWLPXNVNXPAMRE-LBPRGKRZSA-N 300.402 3.220 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N(Cc1ccccc1)C1CC1 12737480 FBMQXBOAROTTGH-UHFFFAOYSA-N 305.374 3.179 0 40 DGAB COc1cccnc1NC(=S)NCCCc1cccc(C)c1 225394464 KEZMHDAUXQITLX-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB Fc1cnc(OC2CCN(Cc3ccc(Cl)cc3)CC2)nc1 1203922341 QZFBAUWTPCYMGI-UHFFFAOYSA-N 321.783 3.313 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 222928774 ORGRVKKCALFJHU-HZPDHXFCSA-N 314.458 3.049 0 40 DGAB CCOC(=O)c1nc(C(F)(F)F)c(Br)s1 85221123 WSXOXAAWKVQORZ-UHFFFAOYSA-N 304.087 3.101 0 40 DGAB CC[C@@](Cl)(C(=O)c1cccc(Cl)c1)S(=O)(=O)CC 96518425 QVHQLDILKWWUMK-LBPRGKRZSA-N 309.214 3.303 0 40 DGAB Cc1ccccc1CN1CC[C@@]2(C[C@@H](N3CCCC3)CCO2)C1 96207362 NWVHPJGBXLRORU-VQTJNVASSA-N 314.473 3.214 0 40 DGAB COCCCN(C)C(=O)/C=C/c1csc(Br)c1 96407196 SCRZSKFSSXWOSV-SNAWJCMRSA-N 318.236 3.019 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCC(Oc2ccncc2)CC1 240122518 WBACQVGKQKYDPF-UHFFFAOYSA-N 316.788 3.419 0 40 DGAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ccncn3)C2)cc1 257217315 CYLOKZQSMNCVHE-MRXNPFEDSA-N 323.440 3.469 0 40 DGAB Cc1cnccc1CN1Cc2nccn2C[C@@H]1c1ccccc1 257235767 GZIMQTQWKRJLSP-GOSISDBHSA-N 304.397 3.344 0 40 DGAB COc1cc(-c2c[nH]c3ncnc(Cl)c23)cc(OC)c1OC 257198042 RGGVLEXQGGJEQD-UHFFFAOYSA-N 319.748 3.304 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)CCc3ccccc3)C2)n1 257227481 FPMPVCYEPSBYPI-QGZVFWFLSA-N 309.413 3.124 0 40 DGAB O=C(c1ccccn1)N1CCC2(CCc3ccccc3O2)CC1 85557792 YIAZSDDQAZNBHW-UHFFFAOYSA-N 308.381 3.082 0 40 DGAB CCc1oc(C(=O)Nc2cc(COC)cc(C(=O)O)c2)cc1C 263079171 KWUSZKDSMHUQCF-UHFFFAOYSA-N 317.341 3.247 0 40 DGAB CC(=O)Nc1ccc(NC(=S)N(C)C(C2CC2)C2CC2)cc1 50252173 DYYBUSNDNPANLP-UHFFFAOYSA-N 317.458 3.462 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)c1 5698220 XYMDIXKDNNYJBO-WDTWZTHCSA-N 315.413 3.228 0 40 DGAB Cc1cc(OCCOC(=O)c2c(C)noc2N)ccc1C(C)C 12974550 PJSAIVVXGJQMGN-UHFFFAOYSA-N 318.373 3.233 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H]1C 15792291 FUVCXUZCNAREEJ-LBTNJELSSA-N 301.430 3.495 0 40 DGAB O=C1Cc2cc(NC(=O)c3ccc(C(F)(F)F)cc3)ccc2N1 17155532 CHVBZOYMKLTFIS-UHFFFAOYSA-N 320.270 3.452 0 40 DGAB Cc1ccccc1-c1ncc(CN(C)CCN2CCCCC2)cn1 19237534 YVFTUWOWJCOWRD-UHFFFAOYSA-N 324.472 3.370 0 40 DGAB Cc1cccc(C2=N/C(=C\c3ccc4c(c3)OCO4)C(=O)O2)c1 4644519 WOUXJAAXLJYQLC-ZSOIEALJSA-N 307.305 3.068 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2ccccc2OC)cc1 3489915 DIJQCOKSKLSSHK-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB C[C@H](NC(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 11607374 VRPGIRTZZLUBRR-ZDUSSCGKSA-N 312.369 3.018 0 40 DGAB CCn1nc(C)c2c(C(=O)Nc3cccc(F)c3)cc(C)nc21 32648547 MUPKTPCAWXMTCS-UHFFFAOYSA-N 312.348 3.459 0 40 DGAB COc1ccc(OC(F)F)c(NC(=O)N[C@@H](C)C(C)C)c1 40120583 OHFLEUXNROKFLD-VIFPVBQESA-N 302.321 3.463 0 40 DGAB Cc1cc2c(cc1C)N[C@H](CC(=O)Nc1ccccc1)C(=O)N2 65849 FWXVPJVUIDTIHJ-MRXNPFEDSA-N 309.369 3.065 0 40 DGAB NC(=O)c1cc(NCCOc2ccccc2F)ccc1Cl 40501263 IHCDXXSFUMGEOG-UHFFFAOYSA-N 308.740 3.069 0 40 DGAB CNC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 41066848 PWZZYMJKCJAHEZ-SNVBAGLBSA-N 301.217 3.065 0 40 DGAB COc1ccc(-c2nnc(S)n2-c2cccc(OC)c2)cc1 67319 AWULHWKZSSKFDX-UHFFFAOYSA-N 313.382 3.240 0 40 DGAB CCOc1nc(S(=O)(=O)c2ccc(C)cc2)c(Cl)s1 134971 JXWWYENWIHHCNH-UHFFFAOYSA-N 317.819 3.336 0 40 DGAB Cc1ccc(C)c(NC(=O)Cn2ccc3ccccc3c2=O)c1 8222876 CWYVMJGGVBWRAZ-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB O=C(O)c1cc(Nc2cc(-c3ccccc3)ncn2)ccc1O 11903120 SISQTLVZUYAZHT-UHFFFAOYSA-N 307.309 3.291 0 40 DGAB O=C(NC1=NCCS1)c1cccc(OCc2ccccc2)c1 569400 PTAWGOKYGXCMCP-UHFFFAOYSA-N 312.394 3.098 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)NCc1ccco1 46587323 UNLZQUCRBHNASD-GFCCVEGCSA-N 306.793 3.242 0 40 DGAB COC(=O)[C@]1(C)CCc2c(ccc3c2CCCC3)[C@H]1CC(=O)O 1682686 HKCZEVZPAZQRCP-VQIMIIECSA-N 316.397 3.249 0 40 DGAB O=C1c2ccccc2-c2cc(Br)ccc2N[C@H]1O 1723097 UZNMOZALASNFJH-AWEZNQCLSA-N 304.143 3.043 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc3cc(C)ccc3o2)[C@H](C)C1 78897243 JYPVYZZBVRMPJQ-PBHICJAKSA-N 314.429 3.478 0 40 DGAB CCc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 1987246 NFBCCQSVCBWGKU-JLHYYAGUSA-N 309.365 3.444 0 40 DGAB CSC(C)(C)CNC(=O)Nc1cc(-c2nnco2)ccc1C 78937400 YJVLUOAQLPBPCB-UHFFFAOYSA-N 320.418 3.308 0 40 DGAB CCOC(=O)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1Cl 79107739 ZKYPWAOXTWMFCW-QMMMGPOBSA-N 319.188 3.457 0 40 DGAB Cn1cccc1C(=O)COC(=O)C1(c2ccc(F)cc2)CCC1 32907180 KHGRNEXFMSGGDB-UHFFFAOYSA-N 315.344 3.012 0 40 DGAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 3843548 CWGZMGDCCGJNKL-BBYJSMEQSA-N 304.430 3.282 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(Cl)cc2)CC1 4881523 UQYYTQBIBUHQGU-VBQJREDUSA-N 318.848 3.425 0 40 DGAB CC[C@H](C)c1ccc([C@H](N[C@H](C)C(=O)NC(N)=O)C(C)C)cc1 103317855 YVZLENUKTCTYMI-WOSRLPQWSA-N 319.449 3.070 0 40 DGAB O=C(NCCC(c1ccccc1)c1ccccc1)C1=COCCO1 3187379 WYASETDHKLQAEP-UHFFFAOYSA-N 323.392 3.213 0 40 DGAB O=C(/C=C\c1ccsc1)N1CCC[C@@H]1c1nnc2ccccn12 103329224 IFMGWAAIQCMTJR-LMVHVUTASA-N 324.409 3.168 0 40 DGAB Fc1ccc(C(=S)N2CCN(c3ccccc3F)CC2)cc1 9189231 NQQUHSUQTBBMNC-UHFFFAOYSA-N 318.392 3.463 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)C)s1 804549 KOPFADSCOAFRMA-GFCCVEGCSA-N 305.403 3.458 0 40 DGAB Cc1ncsc1C(=O)NCc1ccc(CN(C)C(C)C)cc1 54119375 LQLQTTFWFBLPQH-UHFFFAOYSA-N 317.458 3.222 0 40 DGAB CN1c2ccccc2C(=O)N[C@@H]1c1c[nH]nc1-c1cccs1 12520043 QPVGQTRVTRKNSO-HNNXBMFYSA-N 310.382 3.017 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1cc(C)ccn1 12538887 XXTSAUQNLPHZDB-QGZVFWFLSA-N 321.380 3.293 0 40 DGAB CN(C)C(=O)c1ccc(CNc2ncnc3sccc23)cc1 42633207 KDNIWNULTDEQHW-UHFFFAOYSA-N 312.398 3.005 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3cccc(C)c3)c2C)cn1 12526826 WJBWWXRRIHXTKU-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1cnc(C(=O)OCc2csc(-c3ccccc3)n2)cn1 3279803 BFBNLFSQFZAZAI-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB Cc1ccc(NC(=O)NC2CCN(C3CCCCC3)CC2)nc1 97107626 UPWPSEOUYYLIEO-UHFFFAOYSA-N 316.449 3.309 0 40 DGAB CCC1(CC)CCCN(C(=O)COc2c(C)nn(C)c2C)CC1 97105211 MILQFHRSKWQFAF-UHFFFAOYSA-N 321.465 3.235 0 40 DGAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccccc2F)C1=O 101276375 VGHJGQKNCWVINN-AWEZNQCLSA-N 312.344 3.187 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)NCc1nc2ccccc2n1C 57997588 KQYMEJFCDXSURS-QGZVFWFLSA-N 323.396 3.047 0 40 DGAB O=C(CCC1CCCCC1)NCc1cccnc1-n1ccnc1 44899559 DKXWWMDOISIXLG-UHFFFAOYSA-N 312.417 3.244 0 40 DGAB Cc1cccc(C(=O)NC(=S)Nc2cccnc2Cl)c1 20407970 SJCPOHLBESABKE-UHFFFAOYSA-N 305.790 3.170 0 40 DGAB O=S(=O)(Nc1ccccc1)c1ccc(-c2ccno2)s1 36359114 CZGAHBXXLHWTAP-UHFFFAOYSA-N 306.368 3.204 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccco2)cc1 12790330 SJNOXZWIJPSMJW-LBPRGKRZSA-N 301.342 3.129 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)CCC(C)C 36661582 JZECQQWMKYMBAU-AWEZNQCLSA-N 315.417 3.435 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)Cn1cnc2cc(F)c(F)cc21 24425553 DZIDPGWBVDDGMM-MFKMUULPSA-N 307.344 3.009 0 40 DGAB Cc1nn(C)c2c1[C@@H](c1c(F)cccc1F)SCC(O)=N2 49543932 SFMQFWUETZBTTF-ZDUSSCGKSA-N 309.341 3.431 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)[nH]1)c1ccc(F)cc1 13607239 XTSZAQQQKZUVSK-UHFFFAOYSA-N 309.344 3.188 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2c1 69661001 NPZZFCOEJRWNFA-OAHLLOKOSA-N 309.369 3.415 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)cc1C 14097302 YEBPFXRMDBMBGT-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CCO[C@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 65576199 VBQHHLCEFZREIN-LLVKDONJSA-N 317.389 3.398 0 40 DGAB CCONC(=O)c1cc2c(C)nn(Cc3ccccc3)c2s1 14244875 IIPNWKFKVKJXLO-UHFFFAOYSA-N 315.398 3.136 0 40 DGAB O=C(CN1CCCCCC1=O)OCc1cccc2ccccc12 6541585 CFWZIIZRGJFNLA-UHFFFAOYSA-N 311.381 3.286 0 40 DGAB Cc1cc(NC(=O)CNC(c2ccccc2)c2ccccc2)on1 14901491 HLEJSZWIJCDDPX-UHFFFAOYSA-N 321.380 3.301 0 40 DGAB CC(=O)Nc1ccc(O[C@H](C)c2nc(C(C)(C)C)no2)cc1 69968699 ABZNZAMPHNAYHB-SNVBAGLBSA-N 303.362 3.466 0 40 DGAB COc1ccc(CC(=O)OCc2ccc(-n3cccn3)cc2)cc1 7254377 XXDZOFNSMDOVRY-UHFFFAOYSA-N 322.364 3.167 0 40 DGAB Cc1cc(C)c(I)c(Br)n1 16124754 QGLNGCQCYJPFKB-UHFFFAOYSA-N 311.948 3.066 0 40 DGAB CCOC[C@@H]1CCN(C(=O)N[C@@H](C)c2cc(C)ccc2C)C1 81471323 JUGZKCPTDZUYRA-JKSUJKDBSA-N 304.434 3.432 0 40 DGAB O=C(c1cc(=O)[nH]c2cc(F)ccc12)N1CCCCCCC1 84445857 YHZUMYRWTPNNHW-UHFFFAOYSA-N 302.349 3.074 0 40 DGAB CC(C)Oc1ccc(CNC[C@@H](O)c2ccc(F)cc2)cc1 71872759 KJSIPGXHAYJSHB-GOSISDBHSA-N 303.377 3.436 0 40 DGAB Cc1n[nH]c2ncc(NC(=O)c3cc4c(s3)CCCC4)cc12 84067795 LMCRNDDHCZBCAC-UHFFFAOYSA-N 312.398 3.459 0 40 DGAB CCCN(C)C(=O)c1cc(C2CC2)nc2c1cnn2C(C)C 84750232 JUQKOUGWYCZXGJ-UHFFFAOYSA-N 300.406 3.372 0 40 DGAB COc1cc(CN[C@@H]2CCCCC[C@@H]2CO)c2c(c1)C[C@H](C)O2 95410529 OPPGHKUGMBFOAI-PMUMKWKESA-N 319.445 3.049 0 40 DGAB c1cncc(-c2cccc(CN3CCCC4(C3)OCCO4)c2)c1 97058901 BHSAOXDQTMSXHZ-UHFFFAOYSA-N 310.397 3.088 0 40 DGAB CCn1c(C(=O)NC2CCC(C(=O)O)CC2)cc2ccccc21 97018577 NASKIUGZRFEXSU-UHFFFAOYSA-N 314.385 3.034 0 40 DGAB O=c1ccccn1CCCCN[C@@H]1CCSc2ccccc21 95421232 VJXJYVDKRSWYBF-MRXNPFEDSA-N 314.454 3.455 0 40 DGAB Cc1oc(CN(C)C(=O)c2cc3ccccc3o2)cc1C(=O)O 95970416 UUWFUOSPSGYNAZ-UHFFFAOYSA-N 313.309 3.305 0 40 DGAB Cc1ccc(CN[C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc1 95988585 PAPYFBBALJDCJH-DLBZAZTESA-N 304.340 3.288 0 40 DGAB O=C(Nc1ccc(OCC2CC2)cc1)c1ccnc(C2CC2)n1 95958971 RRMYGXWCSPTURN-UHFFFAOYSA-N 309.369 3.395 0 40 DGAB CCc1nc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)cs1 95961619 PCGVEOJSUBTHCG-LBPRGKRZSA-N 318.446 3.346 0 40 DGAB O=C(c1cc2occc2[nH]1)N1CCC[C@H](NCc2ccccc2)C1 95979061 XKYXYMIJBKSXAQ-HNNXBMFYSA-N 323.396 3.155 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2)s1 89406860 PUUQALATPYFZTJ-VXGBXAGGSA-N 319.357 3.416 0 40 DGAB COc1ccc2c(c1)CCCN(C(=O)c1scnc1C)C2 89565438 MPJZCKDKHJZZLT-UHFFFAOYSA-N 302.399 3.049 0 40 DGAB Cc1ccc(/C=C/C(=O)NCCOc2cccc(F)c2)s1 27714028 MWHSDVQFGQPTDU-BQYQJAHWSA-N 305.374 3.404 0 40 DGAB CCOc1ccc(/C=C2/SC(=O)N(CCCOC)C2=O)cc1 409254328 WUIKBYADEGVYHB-SDNWHVSQSA-N 321.398 3.158 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCSCc1ccco1 31252594 REAGAYUALFTRSV-ZDUSSCGKSA-N 305.399 3.097 0 40 DGAB O=C(Cc1coc2ccccc12)NCc1nc2ccccc2[nH]1 551903950 BOZPVIWMCQGPJE-UHFFFAOYSA-N 305.337 3.168 0 40 DGAB COc1ccccc1[C@@H](O)[C@H](CCCO)c1ccccc1OC 3844236 HQCMJVBZTNVFBP-BEFAXECRSA-N 316.397 3.294 0 40 DGAB biogenic Cc1ccccc1-c1cc(NC(=O)CCCn2cccn2)[nH]n1 79333110 YCFHBMVYYZYVHH-UHFFFAOYSA-N 309.373 3.001 0 40 DGAB CCC[C@@H](NC(=O)C(=O)Nc1c(C)noc1C)C1CCCCC1 77748040 SJQCZUNAORTFEG-CQSZACIVSA-N 321.421 3.095 0 40 DGAB Cc1cc(C)c2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1C 13142557 FEAUMMRRQSYHNA-OKILXGFUSA-N 315.413 3.327 0 40 DGAB biogenic Cn1ccnc1-c1cnc(N2CCCCC2)nc1-c1ccco1 72340757 VCRIWIMZVUGYFI-UHFFFAOYSA-N 309.373 3.127 0 40 DGAB CC(=O)Nc1ccc(CN[C@H]2COc3c2ccc(C)c3C)cc1 78553841 ZCOWFHIERMMAGS-SFHVURJKSA-N 310.397 3.485 0 40 DGAB COC(=O)c1cc2cc(NC(=S)NC3CC3)ccc2s1 225211904 PWRXDSMYOHEAKT-UHFFFAOYSA-N 306.412 3.137 0 40 DGAB CN(C(=O)c1cccnc1O[C@@H]1CCSC1)c1ccccc1 225726200 ROJRDXQDIJOHEF-CQSZACIVSA-N 314.410 3.243 0 40 DGAB Cc1cc(C(=O)NCCCCCC(=O)O)c2ccc(F)cc2n1 195529632 UPZOOPCLZDDNFY-UHFFFAOYSA-N 318.348 3.057 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccco2)nc1 225751016 WNQQREKZHDWTQS-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)NC[C@@H](C)c2nc(C)cs2)C1 195561058 SZOLNFVSYWFELV-YUSALJHKSA-N 313.492 3.138 0 40 DGAB CS[C@H](C)C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445195 YKCNINQQLKNUEM-LLVKDONJSA-N 320.389 3.490 0 40 DGAB CC(=O)N(c1nnc(SCc2ncccc2C)s1)C1CC1 92850232 PHPQRYLJQRPYSK-UHFFFAOYSA-N 320.443 3.049 0 40 DGAB Cc1nnc([C@@H](C)Sc2nc(-c3cc(F)cc(F)c3)n[nH]2)o1 96424960 OKJQEPLDQGQYHN-ZCFIWIBFSA-N 323.328 3.295 0 40 DGAB O=C(c1ccsc1)N1CC[C@H](COCc2ccccc2)C1 96426038 ZSGPMQXTCMAUBO-HNNXBMFYSA-N 301.411 3.427 0 40 DGAB CCn1c2ccccc2c2cc(NS(=O)(=O)N(C)C)ccc21 95400091 IGFYMMJFVYCGRJ-UHFFFAOYSA-N 317.414 3.033 0 40 DGAB CC(C)Oc1cccc([C@H](O)CNC(=O)Nc2cccs2)c1 96408715 YCCABDOEGXLQSV-CQSZACIVSA-N 320.414 3.390 0 40 DGAB C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccsc1 90914404 RJKKNJYGGPSMDZ-QGTPRVQTSA-N 316.470 3.034 0 40 DGAB Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)O)o1 96480304 DKQFLUZKJFOGRU-GUYCJALGSA-N 315.369 3.099 0 40 DGAB COc1cccc(N2CCN(c3ncccc3Cl)CC2)c1 78256468 WXOXOVZKFYPYGE-UHFFFAOYSA-N 303.793 3.070 0 40 DGAB N[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@H]1OCc1ccccc1 242649025 RRNLSOSWIHMGHJ-YDZRNGNQSA-N 302.462 3.374 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2c2ccccc2)n1 253388900 NNLQIIMMOSIFAU-XHSDSOJGSA-N 311.385 3.235 0 40 DGAB Cc1ncc(-c2nccnc2[C@H]2CCCN(CC(C)C)C2)n1C 257216534 CUYJRMQPNXLDML-HNNXBMFYSA-N 313.449 3.021 0 40 DGAB CC(C)N1CC[C@@]2(C)[C@@H]1CCC(=O)N2Cc1ccccc1F 257293280 QOVZCLXSVXLMPR-WMZOPIPTSA-N 304.409 3.190 0 40 DGAB CC(C)=CC(=O)N1CCC(O)(c2cccc3cnccc23)CC1 585088093 JRKTWNAVDBIKRX-UHFFFAOYSA-N 310.397 3.011 0 40 DGAB Cc1ccnc([C@H]2CCN(CCCOc3ccccc3F)C2)n1 257226057 FIYGJPRVOWQJNA-HNNXBMFYSA-N 315.392 3.183 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@H](c2ccncn2)C1 257322752 WHGIWHNGYIDPEO-AWEZNQCLSA-N 318.380 3.045 0 40 DGAB CN(C1CCCCC1)[C@H]1CC[C@H](Oc2cccc(F)c2)[C@@H]1O 585284362 KLBNIDGKFCLNOQ-OKZBNKHCSA-N 307.409 3.361 0 40 DGAB COc1cccc(CN2CCC[C@@H](Cc3noc(C)n3)C2)c1C 929512892 MPOFXLBSYQDTBG-HNNXBMFYSA-N 315.417 3.150 0 40 DGAB COCC(=O)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1 56996344 XYAOXAHONMKLIU-UHFFFAOYSA-N 317.295 3.093 0 40 DGAB Cn1ccnc1SC[C@H](O)COc1ccc2ccccc2c1 58159841 HXIYLTGRDUAFRE-OAHLLOKOSA-N 314.410 3.105 0 40 DGAB COc1ccc(CCN(C)C(=O)NC2CCCCC2)cc1OC 5525282 ZXZNMFOOWCEWHR-UHFFFAOYSA-N 320.433 3.220 0 40 DGAB O=C(NCCCc1ccc(F)cc1)c1[nH]nc2c1CCCCC2 12116834 ZUTISJLDANHOSI-UHFFFAOYSA-N 315.392 3.180 0 40 DGAB Cc1csc([C@H](Cc2cccs2)NC[C@@H]2CCOC2)n1 19240063 AYVYFHARSMCODH-JSGCOSHPSA-N 308.472 3.423 0 40 DGAB Fc1cccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)c1 19293785 PDSMFJJFGNRRGH-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB O=C1OC(c2ccccc2Br)=N/C1=C\c1ccco1 4589121 WDPITKQENKPWQG-WQLSENKSSA-N 318.126 3.387 0 40 DGAB Cc1cc(C)cc(-c2nnc(SCC(=O)N3CCCC3)o2)c1 415481 PORCAFOTUAXJLL-UHFFFAOYSA-N 317.414 3.068 0 40 DGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1cccc(Br)c1 6330664 KABYKUULLJDORI-VXGBXAGGSA-N 324.174 3.055 0 40 DGAB Cc1cc(C)cc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1 1888930546 YEBKJYGLILFKOJ-UHFFFAOYSA-N 312.413 3.196 0 40 DGAB CN(C1CCCCCC1)S(=O)(=O)c1ccc(Cl)nc1 29684934 SGLRAXKPBILZOM-UHFFFAOYSA-N 302.827 3.078 0 40 DGAB Cc1nnc([C@@H]2CCCN(c3nc4ccc(F)cc4o3)C2)o1 892206426 QICNVBQZPXTNJF-SNVBAGLBSA-N 302.309 3.042 0 40 DGAB CCOC(=O)c1sc(NC(=O)CC)nc1-c1ccccc1 192152 DPUCHZQDJCWOJV-UHFFFAOYSA-N 304.371 3.335 0 40 DGAB CO[C@](F)(C(=O)Nc1nc2ccccc2s1)C(F)(F)F 4141927 PYXNFVUWFGNCQF-SNVBAGLBSA-N 308.256 3.109 0 40 DGAB Cc1cc(C(=O)NC[C@@](C)(O)c2cc3ccccc3o2)c(C)o1 217983967 JDIVMBIRCSOGGX-GOSISDBHSA-N 313.353 3.280 0 40 DGAB C[C@@](O)(CNC(=O)Nc1ccccc1Cl)Cc1ccco1 206623029 UBNJPCKHSRYTIG-HNNXBMFYSA-N 308.765 3.048 0 40 DGAB Cc1ccc(/C=C/[C@]23NC(=O)CN2c2ccccc2C3(C)C)o1 2108976 HJXJNLYNLOHGPE-VYENPZKTSA-N 308.381 3.225 0 40 DGAB biogenic O=C(/C=C/c1ccco1)Nc1cccc(OC[C@H]2CCCO2)c1 32776616 ODPFOSSCXSMWHT-KBOKABMXSA-N 313.353 3.489 0 40 DGAB O=C(Nc1ccccc1Cl)c1c(O)[nH]c2ccccc2c1=O 42164 SUWJLAXNWKHROC-UHFFFAOYSA-N 314.728 3.139 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)NC(=O)c1ncc(C(C)(C)C)o1 69737941 LJBLFTKHYSHFBL-NSHDSACASA-N 302.374 3.039 0 40 DGAB O=C(NC1[C@@H]2CCC[C@@H]1CN(C1CC1)C2)c1ccc(Cl)cc1 1330060 FTVQIRKWWNOSJN-ZIAGYGMSSA-N 318.848 3.333 0 40 DGAB O=C(NCc1ccnc(OCC2CC2)c1)C1CCCCCC1 78582849 GRWMBOWLYRQYIJ-UHFFFAOYSA-N 302.418 3.457 0 40 DGAB C[C@H]1CN(C)c2ccccc2N(C(=O)CCc2cscn2)C1 78877368 NFMUSRBMMISLTR-ZDUSSCGKSA-N 315.442 3.195 0 40 DGAB O=C(CCNC(=O)c1ccccc1)N[C@H]1CCCc2ccccc21 3606515 JXEDMUVDMHYPCP-SFHVURJKSA-N 322.408 3.000 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@](C)(CCc2ccccc2)C1=O 4288716 HYYVXCVGLZDNPT-HXUWFJFHSA-N 322.408 3.438 0 40 DGAB Cc1ccc(F)c(-c2nc3ccc(S(C)(=O)=O)cc3[nH]2)c1 52998338 VOMVIHARDRHXCL-UHFFFAOYSA-N 304.346 3.081 0 40 DGAB COc1ccccc1OCCn1cc(C(=O)O)c2ccccc21 4412589 IXHPFGOUKNXFHG-UHFFFAOYSA-N 311.337 3.427 0 40 DGAB Cc1cc(NC(=O)C2CC2)ncc1NC(=O)c1ccccc1F 4858330 RUWSSNLHZUJTHG-UHFFFAOYSA-N 313.332 3.130 0 40 DGAB Cc1nc2cc(NC(=O)CSCc3cccnc3)ccc2o1 53151086 WRVWVEQAAKARBF-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB C[C@H]1CN(C(=S)Nc2ccc(OC(F)F)cc2)C[C@H](C)O1 6331098 JXPODBSWWUYMGN-UWVGGRQHSA-N 316.373 3.094 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(F)cc1F 8041104 YBBMGQFJLOQTJZ-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1CCc2ccccc21)c1ccc(C)cc1 22869721 QDGJXQLNBGVRIJ-SFHVURJKSA-N 322.408 3.152 0 40 DGAB Cc1cc(C(=O)NC2CCCCCCC2)c2c(C)nn(C)c2n1 22972333 DZGZOKBZIZSBSA-UHFFFAOYSA-N 314.433 3.428 0 40 DGAB CC[C@@H](C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 23054998 DXLYTZCFAXKDTH-LLVKDONJSA-N 319.430 3.118 0 40 DGAB Cc1csc(N(C(=O)c2cccc(N(C)C)c2)C2CC2)n1 96418449 BYMQRFGZJHYXQV-UHFFFAOYSA-N 301.415 3.327 0 40 DGAB c1ccc(CN2CCN[C@@H](Cc3c[nH]c4ccccc34)C2)cc1 23363472 IDIXRJMDVPQZIV-SFHVURJKSA-N 305.425 3.184 0 40 DGAB CCc1cc(Br)c(OC)c(C(=O)N2CCCC2)c1 57339358 QAXYKYYQZUQXCB-UHFFFAOYSA-N 312.207 3.256 0 40 DGAB Cc1ccsc1CN(C)[C@H](C)c1nc2ccccc2c(=O)[nH]1 23702363 PHNFPQVHILKPNF-GFCCVEGCSA-N 313.426 3.486 0 40 DGAB CC(C)CCNC(=O)N1CCN(c2ccccc2Cl)CC1 9368406 MRJZHCSLCQMNMR-UHFFFAOYSA-N 309.841 3.218 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)c1ccc2c(c1)CCC(=O)N2 24237219 GDUPTCOMUJHGER-NSHDSACASA-N 314.410 3.466 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)c1ccc(F)cc1F 24743830 WKVWCZGKSIPIPI-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB Cc1nc2cc(Cl)ccc2cc1C(=O)NCC(F)(F)F 24856981 XLLCEILTMCOGGS-UHFFFAOYSA-N 302.683 3.489 0 40 DGAB Cc1noc(C)c1COc1cccc(C(=O)NCC(C)C)c1 12567736 NYTKYMMZUVMFDG-UHFFFAOYSA-N 302.374 3.256 0 40 DGAB O=C1OCC2=C1[C@@H](c1cccs1)CC(=O)N2c1ccccc1 1427593 HNMUFYNMPHMFGC-GFCCVEGCSA-N 311.362 3.080 0 40 DGAB CCOCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 55736631 CGSLGBKBASRVHJ-ZDUSSCGKSA-N 300.402 3.430 0 40 DGAB CCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 25425411 KHTDGBRNKHAQSS-QGZVFWFLSA-N 310.397 3.074 0 40 DGAB C[C@@H](NC(=O)c1cnns1)C(c1ccccc1)c1ccccc1 47831118 DCFZBHXYKKDWHL-CYBMUJFWSA-N 323.421 3.489 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3234947 ONHSFRKWIVDFCI-PBHICJAKSA-N 323.392 3.091 0 40 DGAB CN(Cc1ccncc1)Cc1ccc(Oc2cnccn2)cc1 97113739 YJFILRDHIRRQTB-UHFFFAOYSA-N 306.369 3.296 0 40 DGAB COc1ccccc1NC(C)(C)c1nnnn1-c1cccc(C)c1 35622486 JCCUNENLKYOVAL-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(Cl)cc1 3211558 MEXULSOOJPESTM-JTQLQIEISA-N 315.847 3.311 0 40 DGAB C[C@@H]1CCCCN1C[C@H](O)CO[C@@H]1C(C)(C)[C@@H]2CC[C@]1(C)C2 100831793 IALISDBBGAHRTK-OGJJZOIMSA-N 309.494 3.453 0 40 DGAB CC(C)(C)NC(=O)c1ccc(C(=O)OCc2nccs2)cc1 58280299 LEWCCBTZZPIWBL-UHFFFAOYSA-N 318.398 3.028 0 40 DGAB CSc1ncccc1C(=O)Nc1nc2c(s1)CCCC2 3315501 CJEJBVMFRPNNJP-UHFFFAOYSA-N 305.428 3.391 0 40 DGAB Cc1nc2ccccc2nc1S[C@@H](C)C(=O)NCC(C)C 28191512 NJTRBHGLEYOAGA-LBPRGKRZSA-N 303.431 3.191 0 40 DGAB CCc1cccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)c1 12782773 OTHDAXQJLWFACS-HNNXBMFYSA-N 312.344 3.453 0 40 DGAB C[C@H](NC(=O)COC(=O)c1ccccc1Cl)c1ccccc1 3507385 ZPWVLGXRHMVONU-LBPRGKRZSA-N 317.772 3.374 0 40 DGAB COc1ccc(COC(=O)c2cccc(NC(C)=O)c2)cc1F 3521386 LVXSIMJPAZPYPN-UHFFFAOYSA-N 317.316 3.150 0 40 DGAB CCOC(=O)c1nc(Cc2c(Cl)cccc2Cl)no1 49546121 GFXYBHTXVNVNRQ-UHFFFAOYSA-N 301.129 3.144 0 40 DGAB CC(C)C(=O)Nc1ccccc1-c1nc2ccccc2[nH]c1=O 4317833 GJPZDGGDOQHTOR-UHFFFAOYSA-N 307.353 3.185 0 40 DGAB S=C(NC[C@H](c1ccco1)N1CCCC1)NC1CCCCC1 6334002 OQZMIMDWFPVLNY-OAHLLOKOSA-N 321.490 3.213 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCCCn1cnc2ccccc21 65519795 HCYMDGBWGAMOFC-UHFFFAOYSA-N 311.433 3.237 0 40 DGAB C[C@@H]1c2ccsc2CCN1Cc1nc2ccccc2c(=O)[nH]1 14111153 JDLWEFZFOJXPSW-LLVKDONJSA-N 311.410 3.104 0 40 DGAB O=C(/C=C/c1c(Cl)cccc1Cl)NC[C@H]1CCCO1 5670321 ZMAFKFBJQNYUNY-VQCYPWCPSA-N 300.185 3.302 0 40 DGAB Cn1c(CNC(=O)c2cc3ccccc3o2)nc2ccccc21 15132220 XVPODBZXBMLLCK-UHFFFAOYSA-N 305.337 3.250 0 40 DGAB CC(C)[C@H](NC(=O)c1cccc(NC(N)=O)c1)c1cccs1 7121202 AQNDSJWTIQUUBO-AWEZNQCLSA-N 317.414 3.366 0 40 DGAB COCC[C@@H](NC1CCN(C(C)=O)CC1)c1ccc(Cl)cc1 90407664 WSRFCINVYBQBLC-QGZVFWFLSA-N 324.852 3.018 0 40 DGAB C[C@H](SCC(=O)NC1CCCC1)c1nc2ccccc2[nH]1 7942256 SNJOIAIIPVJFRN-NSHDSACASA-N 303.431 3.416 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2c(c1)OCO2 8128260 BIAGMRBMZADTMR-GFCCVEGCSA-N 313.353 3.223 0 40 DGAB CC[C@@H]1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1 70007120 IHABYMAPTFHICO-CQSZACIVSA-N 307.463 3.423 0 40 DGAB Cc1ccc(Cl)c(NC(=O)CSc2ncn[nH]2)c1Cl 8302336 BNOBIILLXBQIFD-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB O=C(NCc1ccc(-n2cccn2)cc1)N1Cc2ccccc2C1 69557731 FECMJJZWRMSGAH-UHFFFAOYSA-N 318.380 3.098 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c2c1 69625303 ABUGSUADKZMQTE-GOSISDBHSA-N 322.412 3.116 0 40 DGAB CC[C@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2OC)CCO1 97235879 DSRRZPUOKDNUKO-FZMZJTMJSA-N 311.809 3.170 0 40 DGAB CCn1c(C)cc(C(=O)N[C@@H](CC(=O)O)c2cccs2)c1C 97035375 KCDHMZOQCAWHMO-ZDUSSCGKSA-N 320.414 3.132 0 40 DGAB O=C(COc1ccccc1O)N1CCC[C@H]1Cc1ccccc1 97039624 DZYLJHOIQYROFN-INIZCTEOSA-N 311.381 3.005 0 40 DGAB Cc1nc(CNC2CCN(CCC(F)(F)F)CC2)c(C)s1 97057246 PUTXICYNJKARGY-UHFFFAOYSA-N 321.412 3.266 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72232162 XQLDILLJOIBFSW-LBPRGKRZSA-N 303.362 3.114 0 40 DGAB c1ccc(N2CCOCC2)c(CNc2ccc3[nH]ncc3c2)c1 95431130 PTOHFMMUUMRIAC-UHFFFAOYSA-N 308.385 3.012 0 40 DGAB O[C@H]1Cc2ccccc2[C@H]1NCc1cnc(C2CCC2)s1 95415555 WIBXKNPTIGWJMP-JKSUJKDBSA-N 300.427 3.159 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2F)sc2nccn12 95435197 BYTLSINBJPRLKC-QMMMGPOBSA-N 321.352 3.473 0 40 DGAB Fc1ccc2c(c1)[C@@H](NC[C@H]1CCN(CC(F)(F)F)C1)CC2 95420505 MCUDZEFXZRTGBE-ABAIWWIYSA-N 316.342 3.287 0 40 DGAB Cc1ncccc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984650 SMZNJEQOXCQLOD-CVEARBPZSA-N 316.788 3.303 0 40 DGAB C[C@@H](O)C[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 89895296 ISZYECWOVMVINV-RISCZKNCSA-N 321.808 3.125 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89895016 AUNPZZUMIGPBTC-UGSOOPFHSA-N 308.381 3.410 0 40 DGAB COc1ccsc1C(=O)N[C@@H](C)CC(=O)c1ccccc1 89894645 PTJRWYKCIJUCPW-NSHDSACASA-N 303.383 3.148 0 40 DGAB COc1ccc(/C=C/C(=O)NCCSC(C)(C)C)cc1OC 66738900 ZRASCGOYVRMXQT-VQHVLOKHSA-N 323.458 3.365 0 40 DGAB CC[C@H](C)NC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 33772778 SLYJJCRDQAZUKF-ZFWWWQNUSA-N 320.433 3.037 0 40 DGAB CCn1cnnc1C1CCN(Cc2cc(F)ccc2Cl)CC1 188974671 QLZPHIFUAXGGNM-UHFFFAOYSA-N 322.815 3.470 0 40 DGAB CCN1CCC[C@H]1c1nc(C)cc(Nc2ncc(C)s2)n1 72383491 GYPPDBIYWZRAKB-LBPRGKRZSA-N 303.435 3.450 0 40 DGAB Cc1cccc(NC(=O)NC(C)(C)C)c1NC(=O)NC(C)C 66089523 PUAHCNXDYFIQQJ-UHFFFAOYSA-N 306.410 3.445 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccc(F)cc2)=NO1 226749231 HPVUHIFQWWVSRG-YVEFUNNKSA-N 304.365 3.110 0 40 DGAB C[C@H](NC(=O)NC[C@@H]1C[C@H]1c1ccccc1)c1cncc(F)c1 574855495 NZSHGGZIAHNQHX-NUTKFTJISA-N 313.376 3.385 0 40 DGAB O=C(COC1CCCCC1)Nc1ccccc1N1CCCC1=O 44359667 DALQZCJIUSUJDW-UHFFFAOYSA-N 316.401 3.101 0 40 DGAB O=S(=O)(Cc1cccc(Br)c1)c1ccccc1 40448045 UYMGKBXLDYZFOF-UHFFFAOYSA-N 311.200 3.423 0 40 DGAB COC1(CNC(=O)c2cc3ccccc3[nH]2)Cc2ccccc2C1 225719025 DVDGQROWJCPQNG-UHFFFAOYSA-N 320.392 3.082 0 40 DGAB COc1ccnc(CN2CCC[C@@H]2c2ccsc2)c1OC 225596652 PXNVMWVKCDDFIS-CQSZACIVSA-N 304.415 3.497 0 40 DGAB O=C(c1ccccc1)N1CC[C@H](c2nc3cc(F)ccc3[nH]2)C1 49168714 OTLKVADWIJGKPF-ZDUSSCGKSA-N 309.344 3.332 0 40 DGAB biogenic,in-vitro C[C@@H]1CN(C(=O)c2csc3ccccc23)C[C@@]1(C)C(=O)O 576229961 JIMKRFMEWFWCEC-QLJPJBMISA-N 303.383 3.084 0 40 DGAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(F)cc1 199524951 HLMZIRYQWFZWHL-GFCCVEGCSA-N 304.254 3.306 0 40 DGAB C[C@H](S[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 95406546 ZRUMXKOPOFFAIO-LRDDRELGSA-N 323.433 3.400 0 40 DGAB O=C(Nc1ccccc1)N1CCC2(CN(CC3CCCC3)C2)C1 96070783 WKXVSRDRXXZQDF-UHFFFAOYSA-N 313.445 3.416 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1 237993943 UNKZLQZGJATSAL-CYBMUJFWSA-N 318.348 3.167 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)NCc1ccnc(C)n1 96454207 JWBVCUQNKKBCDD-UHFFFAOYSA-N 319.792 3.157 0 40 DGAB C[C@H]1CC[C@H](NC(=O)Nc2ccn(Cc3ccncc3)n2)CC1 246781002 SPLJIABBTQWJOV-CTYIDZIISA-N 313.405 3.027 0 40 DGAB Cn1nc(CNCc2cc(F)ccc2F)cc1C(F)(F)F 256053908 UDBJZDJTDARLQJ-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB COc1ccc(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)cc1 257308757 TXZGHIGFNPNDSK-SFHVURJKSA-N 324.424 3.114 0 40 DGAB COc1cccc([C@H](CNC(=O)Nc2cccs2)OC)c1 96390623 VJNCFWSWYXSMLO-ZDUSSCGKSA-N 306.387 3.266 0 40 DGAB CNc1snc(C)c1C(=O)N1CC[C@H](c2ccccc2)C1 58341888 CYEAEZUAMUCSBA-ZDUSSCGKSA-N 301.415 3.123 0 40 DGAB Brc1cccc(NCCNCc2cccnc2)c1 97048127 BGVOMVOTHWUVSF-UHFFFAOYSA-N 306.207 3.046 0 40 DGAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)nn1 585234500 YEFGNIPFCZXIEK-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CCSc1nnc(NC(=O)/C=C/c2ccccc2OC)s1 191073 JSLXKRMTRLTINN-CMDGGOBGSA-N 321.427 3.311 0 40 DGAB COC(=O)c1c(Br)ccc(C(F)(F)F)c1F 261507639 KPYHYPFJOZTYJY-UHFFFAOYSA-N 301.033 3.394 0 40 DGAB CC[C@]1(c2ccc(Cl)cc2)O[C@@H](COC(N)=O)CS1 5468387 FINMYRAPEGYUCL-AAEUAGOBSA-N 301.795 3.130 0 40 DGAB c1cc2cc(c1)OCCOCCOCCOc1ccccc1C2 5948458 MLXZOIWROXRNQU-UHFFFAOYSA-N 314.381 3.082 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)nc2)cc1 14830960 FDRLYNNZMFDSGJ-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB COc1ccc(OCCNC(=O)c2cccc(Cl)c2)cc1 16516460 MTBOWIICFXVHJH-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB COc1ccc(OCCNC(=S)Nc2ccccc2)cc1 18944008 GRHNSIUBBXZTOW-UHFFFAOYSA-N 302.399 3.061 0 40 DGAB Cc1cc(N)c(NC(=O)c2ccc3c(c2)OCO3)cc1Cl 226347747 FFPJTOJUKRIVSH-UHFFFAOYSA-N 304.733 3.212 0 40 DGAB Fc1ccc(OC[C@H]2CCN(Cc3ccc(F)c(F)c3)C2)nc1 1889130579 RVUQLHTVEVYBLG-ZDUSSCGKSA-N 322.330 3.400 0 40 DGAB COc1ccc2nccc(C(=O)N3Cc4ccccc4C3)c2c1 1889269634 IWNOHAUXPSLWIN-UHFFFAOYSA-N 304.349 3.399 0 40 DGAB COC1CC2(CCN(C(=O)c3ccc4c(ccn4C)c3)CC2)C1 1565552313 QLRAAZJZMXTLLV-UHFFFAOYSA-N 312.413 3.210 0 40 DGAB CCN(C(=O)CCn1c(=O)oc2ccccc21)c1ccccc1C 245812 ULNXQJFXJRCGAC-UHFFFAOYSA-N 324.380 3.346 0 40 DGAB Cc1nnc(NC(=O)CSc2c[nH]c3ccccc23)s1 3582087 RKODRBQZMHVMQA-UHFFFAOYSA-N 304.400 3.059 0 40 DGAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccccc1F 4317552 OZYWHMLIQPKLFN-UHFFFAOYSA-N 322.361 3.099 0 40 DGAB Cc1c(C(=O)OCc2ccccc2F)nnn1-c1ccccc1 12415698 AJVNMGFWTHJMCY-UHFFFAOYSA-N 311.316 3.072 0 40 DGAB COc1ccc(CNC(=O)Cc2cc(-c3ccccc3)on2)cc1 13573909 IUESGIKHLGMPGO-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB O=C(NCC1(c2cccs2)CCOCC1)c1ccsc1 38593202 QDUNTFMIQQHJSN-UHFFFAOYSA-N 307.440 3.288 0 40 DGAB c1csc(OC[C@@H]2CCCN(c3nc(C4CC4)ns3)C2)n1 2298183969 HVPWUCJHYDPKSE-SNVBAGLBSA-N 322.459 3.167 0 40 DGAB CC(C)OCc1ccccc1CNC(=O)c1cccnc1S 31342066 TUAQKRXTCPFDNY-UHFFFAOYSA-N 316.426 3.225 0 40 DGAB C[C@H](NC(=O)N[C@@H]1CCCN(C)C1)c1cccc2ccccc12 52500108 WFSBDTFFBUWMBH-GOEBONIOSA-N 311.429 3.294 0 40 DGAB Cc1nc2cc(C(=O)N(CC(F)(F)F)C(C)C)ccc2n1C 69880045 SNMRDJPDFCYYGA-UHFFFAOYSA-N 313.323 3.295 0 40 DGAB CCN(C(=O)COC)[C@H](c1cccnc1)c1cc(C)cc(C)c1 69811473 KOAPZOQYMKQZAR-LJQANCHMSA-N 312.413 3.283 0 40 DGAB C[C@H](CNC(=O)NCc1ccncc1)Oc1ccc(Cl)cc1 76066679 ROGYJMULCCBEMT-GFCCVEGCSA-N 319.792 3.002 0 40 DGAB CCC(C)(C)NC(=O)C[C@@H](NC(C)=O)c1ccccc1Cl 32922375 ZBHLXPXMJRTGSK-CQSZACIVSA-N 310.825 3.212 0 40 DGAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@H]2C 4027048 SCKWFJBWUFTIAS-GLUGTNLDSA-N 316.397 3.314 0 40 DGAB COc1cc(CNC[C@H](O)c2ccccc2)cc(Cl)c1OC 22076104 YOEJTRBSWUDLSM-HNNXBMFYSA-N 321.804 3.180 0 40 DGAB CCOC(=O)CSc1nc2c(c(C(F)(F)F)n1)CCCC2 6154525 NHZXHRVSOQCDCZ-UHFFFAOYSA-N 320.336 3.029 0 40 DGAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)[C@@H]2CCCO2)c1 97165257 GDPGHXTYJINOST-AEFFLSMTSA-N 324.380 3.445 0 40 DGAB Cc1ccc(CNC(=O)COc2ccc3ccccc3c2)n1C 23574975 WCNGPQKHJFYUBO-UHFFFAOYSA-N 308.381 3.182 0 40 DGAB COC[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 9721576 FRUFGUSVHFJHFT-JTQLQIEISA-N 303.383 3.072 0 40 DGAB CN(C)C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 24991148 HBBWDFIBTISGQR-INIZCTEOSA-N 301.365 3.250 0 40 DGAB Cn1nc(C2CCC2)cc1NC(=O)NCCC[C@@H]1CCCCO1 97138318 WRJXFJDEXITFHL-AWEZNQCLSA-N 320.437 3.158 0 40 DGAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1cc(F)cc(F)c1 10677944 LYVMOWTWDMGHFX-INIZCTEOSA-N 323.364 3.394 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)SC(F)(F)F)c(OC)c1 36390526 TUTPUPOYPUAHHU-SSDOTTSWSA-N 309.309 3.284 0 40 DGAB COc1ccc(NC(=O)CC[C@@H]2COc3ccccc3O2)cc1 28541178 BMFPIESRJUNTBQ-OAHLLOKOSA-N 313.353 3.254 0 40 DGAB CCN(CC)C(=O)C1CCN(C(=O)c2cc(C)cc(C)c2)CC1 58930777 LGPIDVVKOSQHCY-UHFFFAOYSA-N 316.445 3.024 0 40 DGAB CCCCCn1c(S)nnc1[C@@H]1COc2ccccc2O1 11692634 QCRSGTGPCDSISO-ZDUSSCGKSA-N 305.403 3.270 0 40 DGAB CCC(C)(C)n1nnnc1[C@H](c1cccs1)N1CCCCC1 20098503 CMJTYMHBPNSGDL-AWEZNQCLSA-N 319.478 3.455 0 40 DGAB O=C(CN1CCc2ccccc2C1)N[C@H]1CCCc2ccccc21 38332517 PDGIEJUEFQVJSL-FQEVSTJZSA-N 320.436 3.239 0 40 DGAB O=C(NCc1ccccc1Cl)c1ccc2c(c1)OCCCO2 19173411 OJGQFUDCBQXEHX-UHFFFAOYSA-N 317.772 3.431 0 40 DGAB Cc1ccc2c(c1)C(=O)O[C@@H](C(=O)N1CCCc3ccccc31)C2 5033501 YLQQJOBNXXUXSG-GOSISDBHSA-N 321.376 3.056 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)Nc2cccc(C(=O)O)c2)cc1C 8906771 CVUNOTZTCQTZMV-CYBMUJFWSA-N 313.353 3.408 0 40 DGAB Cc1ccc2[nH]c3c(NCCN4CCCCC4)ncnc3c2c1 5164730 QCRHBTVWHSDVSW-UHFFFAOYSA-N 309.417 3.317 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412868 UZHCDMIGFKTUQI-YAJHFMINSA-N 323.440 3.268 0 40 DGAB O=C(O)c1ccc(CSc2nnc(-c3ccccc3)[nH]2)cc1 6557690 XWJIHPRVLYIGQY-UHFFFAOYSA-N 311.366 3.462 0 40 DGAB O=c1c(-c2ccc3c(c2)OCCCO3)coc2cc(O)ccc12 5731261 LCOWSUJCLFXLNN-UHFFFAOYSA-N 310.305 3.327 0 40 DGAB biogenic FC(F)(F)COc1ccc(CN2CCOC[C@@H]2C2CC2)cc1 90007835 QUUPSESQUSZKPR-OAHLLOKOSA-N 315.335 3.239 0 40 DGAB COc1cccc2cc(C(=O)Nc3cccc(F)c3)c(=N)oc12 67341961 BRLZHVOEGDUCEN-UHFFFAOYSA-N 312.300 3.312 0 40 DGAB Cc1ccc2nc(C)cc(C(=O)NCC(C)(C)CN(C)C)c2c1 69043142 RBFTYNQWNZIQKB-UHFFFAOYSA-N 313.445 3.169 0 40 DGAB CCc1nc(CCNC(=O)c2cccc3ncccc23)cs1 69351767 WPZLVDBNSCNHSB-UHFFFAOYSA-N 311.410 3.226 0 40 DGAB CCN(C)C(=O)c1cccc(C(=O)N(C)CCc2ccccc2)c1 71803766 FPPWSLKFUIBVFO-UHFFFAOYSA-N 324.424 3.093 0 40 DGAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@@H](c2ccccc2)C1 71844385 UZRKKVKHNIATCS-MRXNPFEDSA-N 307.397 3.286 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1cccn1C 83888724 KRJVGBKHZSIFBG-HIFRSBDPSA-N 315.442 3.264 0 40 DGAB CN(C(=O)c1cc(Cl)ccn1)[C@H]1CCc2ccccc2C1 71907546 FMGZOWGYGHITRG-HNNXBMFYSA-N 300.789 3.365 0 40 DGAB COC(=O)N1CCC(N[C@H](C)c2cc3ccccc3o2)CC1 95420835 BHRCRQQFVIHIRD-GFCCVEGCSA-N 302.374 3.314 0 40 DGAB CC(C)=CCSc1ccccc1C(=O)N1CC[C@@H](CO)C1 95976268 MBRQDDGFUPYNTP-CQSZACIVSA-N 305.443 3.199 0 40 DGAB CCCCO[C@H]1C[C@H](N(C)C(=O)Cc2cccnc2)C1(C)C 75091901 CXQSYKGYZMHRKI-HOTGVXAUSA-N 304.434 3.066 0 40 DGAB Cc1cc(CNc2ccnn2CC(C)C)ccc1-n1cncn1 89591442 YJUBIQOYXZUBMN-UHFFFAOYSA-N 310.405 3.040 0 40 DGAB CN(Cc1cc(Br)cn1C)C(=O)c1ccsc1 89755045 CZCISQBHWPZXRL-UHFFFAOYSA-N 313.220 3.121 0 40 DGAB O[C@H](C[C@H]1CCCN1Cc1ccncc1Cl)c1ccco1 89794409 CLXYPTVPUZKBPA-UKRRQHHQSA-N 306.793 3.416 0 40 DGAB c1csc(-c2cnc(CSCc3nnnn3C3CC3)o2)c1 67453136 QCHBHXLTGYNUGB-UHFFFAOYSA-N 319.415 3.158 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc2c(c1)CCN2 34955657 QNTZKBCPBDUIHA-UHFFFAOYSA-N 308.790 3.109 0 40 DGAB CC[C@H]1c2ccsc2CCN1Cc1nc(C(=O)O)cs1 517948001 AIQDDIGYZKSZHD-NSHDSACASA-N 308.428 3.412 0 40 DGAB Cc1cc(Cl)ccc1OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1 37530396 CGTWDODYBVWANC-ZENOOKHLSA-N 311.853 3.366 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccco2)cc1 77110949 IZSYXPUYHOKFKN-OAHLLOKOSA-N 301.386 3.431 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCc2cc(F)cc(F)c21 36754072 VSQWVPWXNWSTBP-LRDDRELGSA-N 322.399 3.412 0 40 DGAB CN(C)CCNc1nc(-c2ccc(F)cc2)cc(C(F)F)n1 36613617 STSJYDXLMKXSAN-UHFFFAOYSA-N 310.323 3.194 0 40 DGAB Cc1cnc(NC(=O)CN(C)c2nc3ccccc3s2)s1 70640863 ZEXAGMQKCZZFSP-UHFFFAOYSA-N 318.427 3.136 0 40 DGAB COC(=O)c1ccc(-c2c(NC(C)(C)C)nc3ncccn23)cc1 32918530 OCLWKAICNDYFLA-UHFFFAOYSA-N 324.384 3.393 0 40 DGAB Cc1ccnn1C[C@H](C)CNC(=O)Nc1cccc(Cl)c1 36612021 MZPFYTWSKNNUOD-LLVKDONJSA-N 306.797 3.303 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3ccccc3F)no2)cc1 33647802 LRWWZTOXINRQGT-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB O=C(N[C@@H]1CCCOC1)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78878038 MRVRPVNKYOXPFE-RDBSUJKOSA-N 313.319 3.104 0 40 DGAB Cc1ncc(CNC(=O)N[C@@H]2C[C@@H]2c2cccc(Cl)c2)s1 77556331 ZSNWFGZUQGQALT-ZIAGYGMSSA-N 321.833 3.460 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](NC(=O)c2ccccc2Cl)C1 78879455 CWDJNWBJWYSNIZ-NSHDSACASA-N 324.808 3.079 0 40 DGAB CCCNC(=O)CCc1ncc(-c2ccc(OCC)cc2)o1 224854742 PSFKWEBBZGOAEU-UHFFFAOYSA-N 302.374 3.199 0 40 DGAB O=C(O)[C@H]1CN(Cc2ccc(Cl)cc2)c2ccccc2O1 225331264 ZZOZKNFMERZXLN-OAHLLOKOSA-N 303.745 3.192 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)Cc2ccccc2Cl)C1 48310077 XHNZOXFEHDBGBT-GJZGRUSLSA-N 322.880 3.367 0 40 DGAB COc1ccc(CN(C)C(=O)COc2ccc(C)cc2C)cc1 45966087 XXDDYUFYWNPGOU-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)(C)C 223267960 KGYWCCURNTYANR-INIZCTEOSA-N 318.461 3.427 0 40 DGAB CC(=O)N[C@@H](C)C1CCN(Cc2sccc2Cl)CC1 225625495 DGBICOLUUFSUNX-JTQLQIEISA-N 300.855 3.138 0 40 DGAB COc1ccc(OC)c(C[C@@H](Oc2ccc(C)cc2)C(=O)O)c1 225114504 PLROLLKYSOSEKW-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB CC(C)NC(=S)N1CCC(c2ncc(C(C)(C)C)o2)CC1 227167197 YHNUXGAQELCNQZ-UHFFFAOYSA-N 309.479 3.434 0 40 DGAB Cc1cc2nc(N)sc2c(C)c1I 45888655 MWTYIDZTVUGYSM-UHFFFAOYSA-N 304.156 3.100 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](c1ccccc1)n1cccc1 49030912 JVZCKGHQVUCVJJ-LJQANCHMSA-N 320.392 3.403 0 40 DGAB Cc1ccc(N2CCC[C@H](C(=O)Nc3cccc(C)c3C)C2)nn1 85470837 ZYMRTLUOQQDTDP-INIZCTEOSA-N 324.428 3.257 0 40 DGAB C[C@H](CC(=O)NC[C@@H]1CCOC1)c1ccccc1C(F)(F)F 96422305 POFXMOAYNYAXFB-NEPJUHHUSA-N 315.335 3.352 0 40 DGAB CC(=O)Nc1cccc(CN(C[C@@H](O)c2ccccc2)C2CC2)c1 96410363 SUVDSGFJMJJQJP-HXUWFJFHSA-N 324.424 3.343 0 40 DGAB COc1ccc(C[C@@H](C)CN(C)C(=O)c2cccnc2C)cc1 96485601 VNFKHGDYQNFBEM-CQSZACIVSA-N 312.413 3.349 0 40 DGAB Cn1cccc1[C@H]1CCCCN1C(=O)c1ccc(Cl)cn1 96445084 ZSVDSACGQDPYQG-OAHLLOKOSA-N 303.793 3.441 0 40 DGAB COc1ccc(C[C@@H](C)CN(C)C(=O)c2cncc(F)c2)cc1 97230119 SAQQABLJVHMYDX-CYBMUJFWSA-N 316.376 3.180 0 40 DGAB O=C(CC(F)(F)F)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 96496357 LYZDORGRALLJQX-MRVPVSSYSA-N 324.705 3.126 0 40 DGAB CCC(=O)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)nc1 270923981 KGXQQMNKGZDSRP-NSHDSACASA-N 314.307 3.074 0 40 DGAB COC(=O)c1ccc(NCc2nc(Cc3ccccc3)no2)cc1 55824790 NGCHOWUIGVDCNQ-UHFFFAOYSA-N 323.352 3.059 0 40 DGAB C[C@H](Nc1cccc(N2CCOC2=O)c1)c1nc(C2CC2)no1 56143899 DDKOFAGJNLAGPU-JTQLQIEISA-N 314.345 3.077 0 40 DGAB Nc1cc(-c2cc(Br)cc(Br)c2)no1 236351590 IFIRHROXPSTRFR-UHFFFAOYSA-N 317.968 3.449 0 40 DGAB O=S(=O)(c1ccc(C2CCCCC2)cc1)c1nncs1 5553540 CTQKSAQBYUIXHT-UHFFFAOYSA-N 308.428 3.419 0 40 DGAB Cc1ccc(NC(=O)NC(=O)CSc2ccccn2)c(C)c1 11709013 GQZJTHPILYKCJM-UHFFFAOYSA-N 315.398 3.139 0 40 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316.748 3.255 0 40 DGAB O=C(O)c1ccc2c(c1)[C@]1(C[C@H]1c1cccc(Cl)c1)C(=O)N2 217476856 LRYFFHUOYDEECO-GUYCJALGSA-N 313.740 3.416 0 40 DGAB CCOc1cccc2cc([C@H](C)NC(=O)C(C)(C)C(=O)O)oc12 567355721 MEVMPYMXLRTXEO-JTQLQIEISA-N 319.357 3.120 0 40 DGAB O=C(c1cnc2ccc(F)cc2c1Cl)N1CCSCC1 75490541 BNFMJZOTTFWXOU-UHFFFAOYSA-N 310.781 3.216 0 40 DGAB CS[C@H]1CCC[C@H]1N(C)C(=O)CCn1ccnc1C(C)C 74195320 ZEEDNWCFJWMILO-KGLIPLIRSA-N 309.479 3.139 0 40 DGAB Cc1noc(C)c1CCC(=O)N1C[C@H]2C3CCC(CC3)[C@H]2C1 71762335 ZMYVCUWRJPSVCK-KZNFOHLHSA-N 302.418 3.119 0 40 DGAB COc1cccc(OC)c1CCC(=O)N(C)Cc1ccccc1 225995533 HQYMRYCMYVINMK-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB COC(=O)N1CCC(N[C@H](C)Cc2ccccc2SC)CC1 195558479 OCJFIYVCEJRYOV-CYBMUJFWSA-N 322.474 3.160 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1coc(NC(=O)C2CC2)n1 75157944 VXPDBIMEAJSFRW-UHFFFAOYSA-N 319.748 3.237 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1 226261678 QIZHOAGBPVBONW-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB COc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1F 223971670 YUFSCHPHIABROB-UHFFFAOYSA-N 317.360 3.260 0 40 DGAB O=C(CCc1ccc(F)cc1)c1ccc(N2CCOCC2)cc1 228933649 SURRVABETQISKZ-UHFFFAOYSA-N 313.372 3.478 0 40 DGAB COc1ccc(O[C@@H](Cc2cc(C)ccc2OC)C(=O)O)cc1 225118289 FPJNURXKGQKRFK-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CC(C)(O)CN1CCc2c(cccc2N[C@@H]2CCCSC2)C1 195560534 GNDYPJZMCQZWQC-OAHLLOKOSA-N 320.502 3.123 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 96490868 KUNYZRBSLDKYDQ-OLZOCXBDSA-N 322.817 3.365 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1 96475453 XVCBTHMIGDTYRP-ZJUUUORDSA-N 301.358 3.027 0 40 DGAB C[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ncc(C(C)(C)C)o1 96447862 ORRHYPWPXHBTGG-NSHDSACASA-N 313.401 3.431 0 40 DGAB COc1ccc(NC(=O)NC[C@@](C)(O)c2cccs2)cc1C 96417997 NPYJXBAODBBSFN-MRXNPFEDSA-N 320.414 3.094 0 40 DGAB COC(=O)[C@@](C)(NCc1ccccc1F)c1ccc(OC)cc1 584908311 XKYCPJZPQJOPDX-SFHVURJKSA-N 317.360 3.012 0 40 DGAB CC(C)c1nc(COc2cccc(N=S(C)(C)=O)c2)no1 585090027 WAUVUEPWVRDSTE-UHFFFAOYSA-N 309.391 3.131 0 40 DGAB CC(F)(F)c1ccccc1NC(=O)Nc1cc2n(n1)CCCC2 585140667 CBRCMFGANFKRNZ-UHFFFAOYSA-N 320.343 3.975 0 40 DGAB Cc1noc(-c2cncnc2Nc2cccc(Cl)c2F)n1 253402136 NZGSXERDABWLDQ-UHFFFAOYSA-N 305.700 3.371 0 40 DGAB Cc1nn(C(C)C)cc1NCc1cc(C(F)(F)F)nn1C 256054820 XYHRTFMIHFMDFT-UHFFFAOYSA-N 301.316 3.137 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@@H](Cc2ccccn2)C1 257230021 GAKSCLPZIWBUPQ-KRWDZBQOSA-N 324.424 3.332 0 40 DGAB CCN1C(=O)CC[C@@]12CCCN(Cc1cccc(F)c1)CC2 585100834 YMGBZGXJAIDILK-GOSISDBHSA-N 304.409 3.193 0 40 DGAB O=C(CCN1CCC[C@H](O)C1)Nc1ccccc1-c1ccccc1 54423975 UGFOKDGICGSWQQ-KRWDZBQOSA-N 324.424 3.139 0 40 DGAB CCOCCCNC(=S)Nc1ccc(C(F)(F)F)cc1 17031311 XKICEFFZPGYRPL-UHFFFAOYSA-N 306.353 3.418 0 40 DGAB COc1ncccc1N(C)C(=O)[C@H](C)O[C@H]1CCC[C@@H](C)C1 95960615 RLAKSMUWHIRWKW-RDBSUJKOSA-N 306.406 3.037 0 40 DGAB CCN1C(=O)C[C@@H](Nc2ccc(Oc3ccc(C)cc3)cc2)C1=O 12632588 OBCMUSUFTWHAPX-QGZVFWFLSA-N 324.380 3.347 0 40 DGAB COc1ccc2[nH]c3c(=O)n(CCc4ccccc4)cnc3c2c1 13635042 OMWUDUVRXHMLBD-UHFFFAOYSA-N 319.364 3.129 0 40 DGAB O=C(COc1ccccc1)NCCSCc1ccccc1F 13674083 YFWPSOBEOOSMHK-UHFFFAOYSA-N 319.401 3.254 0 40 DGAB O=C(NC(=S)NCc1ccccc1)c1cc2ccccc2o1 14257719 ADMRWJOEKYFHFA-UHFFFAOYSA-N 310.378 3.237 0 40 DGAB COc1cc(C2N3CCCN2CC3)ccc1OCc1ccccc1 19324075 DVWBHPZBUKHDCA-UHFFFAOYSA-N 324.424 3.294 0 40 DGAB CC[C@H](Cc1ccccc1)N(CC)C(=O)c1c[nH]c(C)cc1=O 162148051 HQMLIWDHMSYGBK-MRXNPFEDSA-N 312.413 3.167 0 40 DGAB FC(F)(F)c1cc(C2CCN(Cc3cscn3)CC2)[nH]n1 643912674 DVWBEKSYIHZEJN-UHFFFAOYSA-N 316.352 3.265 0 40 DGAB C[C@H]1CN(Cc2c([C@@H]3CCCO3)[nH]c3ncccc23)C[C@H](C)O1 19497530 KQZPATQNVMNTKR-XEZPLFJOSA-N 315.417 3.024 0 40 DGAB CC(C)(C)CC(=O)N1CC[C@@H](COc2ccc(C3CC3)nn2)C1 1888843140 MFTXWVNGRNGMDV-CYBMUJFWSA-N 317.433 3.018 0 40 DGAB CN(Cc1cccc(Cl)c1)[C@H](C(N)=O)c1ccc(F)cc1 24529168 DKNAVTKGSAJGAI-HNNXBMFYSA-N 306.768 3.138 0 40 DGAB COC(=O)c1ccc(CNC(=O)CCC2CCCCC2)cc1 32999842 NQVOVURLRDQBGH-UHFFFAOYSA-N 303.402 3.450 0 40 DGAB O=C(C1CC1)N1CCN=C1SCc1c(F)cccc1Cl 4120137 IJJVCFWRNMKVOV-UHFFFAOYSA-N 312.797 3.321 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc(F)c(F)c1 22530721 GRTFUCOLNJQNAR-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB COc1ncccc1CNC(=O)N[C@@H](c1cccs1)C(C)C 40145352 GILNMIYETWJNNF-CQSZACIVSA-N 319.430 3.348 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3c(c2)CCC3)n1 40121494 CTJADOVXYGGRFC-CYBMUJFWSA-N 311.429 3.055 0 40 DGAB CCNC(=O)c1ccc(C)c(NC(=O)c2cccc(OC)c2)c1 40553192 MKBVILAKDPTOOE-UHFFFAOYSA-N 312.369 3.006 0 40 DGAB Cn1ncc2c(=O)[nH]c(/C=C/c3ccc(Cl)cc3Cl)nc21 40555741 IQYHHXUESLSMAD-HWKANZROSA-N 321.167 3.134 0 40 DGAB COc1ccc(C2=C[C@H](c3cccc(F)c3)n3ncnc3N2)cc1 101229372 PGGMQYFRIWBXIF-QGZVFWFLSA-N 322.343 3.482 0 40 DGAB COc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101262959 VACDMCFOADTCIC-JENIJYKNSA-N 300.446 3.001 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)N[C@H]1CCSc2ccccc21 32339888 XQCMZHIOMZYPAJ-ONGXEEELSA-N 319.348 3.307 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2ccccc2)C1 102166718 JJQCSEZIIIDKLS-HNAYVOBHSA-N 315.413 3.271 0 40 DGAB COc1cc(Cl)ccc1-c1[nH]c(C=O)nc1Br 1857794658 GDLPQXUIPWREBS-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB COc1ccccc1-c1nnn(Cc2nc3ccccc3s2)n1 416884 FHLJVDAAUCALFU-UHFFFAOYSA-N 323.381 3.007 0 40 DGAB Cc1ccc(CSc2nnc(-c3cnccn3)n2C)cc1C 531097 SPOUJVUUBUXLHU-UHFFFAOYSA-N 311.414 3.181 0 40 DGAB Cc1nc(SCC(=O)N[C@H]2CCCC[C@@H]2C)nc(C)c1C 2621221 ZZOVYQGHRXWXEY-HZMBPMFUSA-N 307.463 3.189 0 40 DGAB Cc1cc(C)n(Cc2cccc(NC(=O)c3ccccn3)c2)n1 69696804 DJJAXAQFPYMPEU-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CCOc1nc(Nc2cc(Cl)ccc2OC)nc(OCC)n1 910006 MZPAEYZMUKUISB-UHFFFAOYSA-N 324.768 3.075 0 40 DGAB aggregator NC(=O)[C@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 1724097 FENCJTICALSGLA-IBGZPJMESA-N 317.388 3.192 0 40 DGAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)cc1 1977368 CBUFRMGECYJHFY-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB COc1c2occc2c(/C=C/C(C)(C)O)c2ccc(=O)oc12 3852213 UIRJIZUSMZDYDO-SOFGYWHQSA-N 300.310 3.332 0 40 DGAB COc1ccc(CNC(=S)Nc2ccc(F)c(F)c2)cc1 7571437 BCFWJNNNCPSAEN-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB CC1CCC(N2CCC(N(C)C(=O)c3ccncc3)CC2)CC1 61295799 GDRSQILQEFTRHU-UHFFFAOYSA-N 315.461 3.197 0 40 DGAB Cc1cccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1C 9232440 YFFPSAMNYQARKF-CQSZACIVSA-N 310.397 3.162 0 40 DGAB COc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 12469261 AMNRSUAQXLGNAK-IRXDYDNUSA-N 306.369 3.433 0 40 DGAB Cc1cc(N(C)C)cc(C)c1NC(=O)N(C)[C@H]1CCSC1 96485109 WDSHLJZNUJULLC-ZDUSSCGKSA-N 307.463 3.339 0 40 DGAB CC[C@@H](C)Oc1ccc(NC(=O)NC[C@H]2CCCOC2)cc1 56742748 BNRRUVVNLJYPFM-ZIAGYGMSSA-N 306.406 3.412 0 40 DGAB CN(C(=O)c1ccc(OCc2nccn2C)cc1)c1ccccc1 47518732 QMAHPNPFICVOJC-UHFFFAOYSA-N 321.380 3.276 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445210 HHOFTCUMIZPAMP-SMDDNHRTSA-N 300.333 3.394 0 40 DGAB O[C@H](CNCc1cc(Br)cs1)c1ccccc1 35112775 JRMJXVNBFWVVCO-CYBMUJFWSA-N 312.232 3.334 0 40 DGAB CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 100630329 KGLHNUDTVFYQOY-MRCALGOJSA-N 323.436 3.176 0 40 DGAB CC(C)COCCC(=O)Nc1ccc(-c2csnn2)cc1 57247276 DOBGMZFOYBEWJC-UHFFFAOYSA-N 305.403 3.206 0 40 DGAB O=C(c1ccccc1)c1ccc2n1CC[C@@H]2C(=O)N1CCCCC1 57476759 XLRXVIVFGOKIRM-INIZCTEOSA-N 322.408 3.219 0 40 DGAB C[C@@H]1CCc2c(C(=O)Nc3ccnc4ccnn34)csc2C1 108716934 BAGLKKGFKDJCMI-SNVBAGLBSA-N 312.398 3.168 0 40 DGAB CCc1nc(NC(=O)Cc2ccc(OC)c(OC)c2)sc1C 44702085 AWTHWCBCSIWMKJ-UHFFFAOYSA-N 320.414 3.212 0 40 DGAB CC(=O)c1ccc(F)cc1NC(=O)Cc1c[nH]c2ncccc12 97107049 QQUZOUGQWKORJU-UHFFFAOYSA-N 311.316 3.086 0 40 DGAB O=C(NCCC[C@@H]1CCCCO1)Nc1ccc2c(c1)COC2 97138356 GHYYJPOJWVZJHV-INIZCTEOSA-N 304.390 3.188 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@H](C)c1ccncc1 44896306 ZJYPSVFUIGZUJZ-CYBMUJFWSA-N 321.380 3.465 0 40 DGAB O=C(COc1ncnc2ccccc12)Nc1ccccc1Cl 3266191 AOAUGERGUAFDFU-UHFFFAOYSA-N 313.744 3.301 0 40 DGAB Cc1ccc(CC(=O)Nc2nnc(C3CCCCC3)s2)cn1 44972560 FZCMGWHSIIIYRH-UHFFFAOYSA-N 316.430 3.470 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C=C/c1cccs1 12616862 FEVLIGPHPYEDSP-UVHIWXSVSA-N 307.415 3.094 0 40 DGAB O=C(NCc1ccc(F)cc1)Nc1ccccc1-n1cccn1 48152347 LXHVNTPGKRUXRK-UHFFFAOYSA-N 310.332 3.333 0 40 DGAB COc1ccc(NC(=O)c2ccc(OC)c(F)c2)c(OC)c1 12700387 UXWXDMUDIXMUFD-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB CC1CCC2(CC1)NC(=O)N(Cc1ccc(Cl)cc1)C2=O 3457977 SVUZDUPGSHBJBS-UHFFFAOYSA-N 306.793 3.341 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2cccc3c2CCCC3)cc1 12925220 XXYLIRNFPKDDAE-UHFFFAOYSA-N 322.408 3.242 0 40 DGAB CC(C)(C)c1ccc(C(=O)OCC(=O)NCc2ccco2)cc1 3619988 CRFVKHGWAPKXJZ-UHFFFAOYSA-N 315.369 3.050 0 40 DGAB Cc1cc(C)c(O)c(-c2cc(C(=O)Nc3cccnc3)[nH]n2)c1 13121731 QZHRZRZDKRLYLV-UHFFFAOYSA-N 308.341 3.046 0 40 DGAB COCCCNC[C@H]1C(=O)O[C@@H]2C[C@@]3(C)CCCC(C)=C3C[C@H]12 4028628 BGKMCMULUPGYJR-FXRXJOCMSA-N 321.461 3.071 0 40 DGAB biogenic COc1cccc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)c1 4108098 WQDSULVMDRLQKB-GFCCVEGCSA-N 310.353 3.073 0 40 DGAB COc1ccc(S(=O)(=O)Oc2cccc3cccnc23)cc1 4549028 YACSEICZINQBEP-UHFFFAOYSA-N 315.350 3.011 0 40 DGAB CC(C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 14231179 CZZIBYCSPYQRJA-UHFFFAOYSA-N 315.392 3.419 0 40 DGAB Cc1ccc(-n2nnnc2[C@H](c2ccccc2)N2CCCC2)cc1 4672249 RQOFSKJQLHJNCK-SFHVURJKSA-N 319.412 3.156 0 40 DGAB Cc1ccc(-c2nc(NC(=O)CCC(=O)O)sc2C)cc1 5601146 TUJDYLKBQBZWOR-UHFFFAOYSA-N 304.371 3.230 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2ccc(F)cc2)cc1 5634223 QXYMMFPQQFPNEK-UHFFFAOYSA-N 315.344 3.113 0 40 DGAB Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@H]1CCCN21 9157321 XJPGLYSXQUXSHB-QGZVFWFLSA-N 321.380 3.168 0 40 DGAB Cc1cc(N)nc(SCCCC(=O)c2ccc(F)cc2)n1 7047770 DSKUIXPYMZNHIJ-UHFFFAOYSA-N 305.378 3.262 0 40 DGAB CC[C@H](Nc1nnnn1-c1ccccc1)c1ccc(OC)cc1 8204510 RFEISZAELUEPTA-INIZCTEOSA-N 309.373 3.234 0 40 DGAB CC(=O)c1cc(CCC(=O)NCCc2ccc(F)cc2)oc1C 8275197 HOFJMXXBZNHOGC-UHFFFAOYSA-N 317.360 3.221 0 40 DGAB CSCC(=O)Nc1cc(F)ccc1Sc1nccn1C 71850329 SNEAXMFESVHFTH-UHFFFAOYSA-N 311.407 3.012 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CO)C2)cc1 71803477 QMMBRAPRLIJEEB-KGLIPLIRSA-N 322.474 3.274 0 40 DGAB COc1cc(CN[C@H]2CCOc3ccccc32)cc2c1OCO2 71831320 HEHWFRQSDLIXSG-AWEZNQCLSA-N 313.353 3.037 0 40 DGAB Cc1cc(C(=O)NCCCNc2ccccc2)nn1C(C)(C)C 71890758 ZEXNEHPBOBSGRB-UHFFFAOYSA-N 314.433 3.179 0 40 DGAB Cc1cccc(C(=O)N[C@@H](NC(C)C)C(Cl)(Cl)Cl)c1 19912859 XLKYBRAFFLMARW-GFCCVEGCSA-N 323.651 3.419 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1cccn1C 83888718 KRJVGBKHZSIFBG-DZGCQCFKSA-N 315.442 3.264 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)Nc2cccc(C)n2)C1 97378639 OLHQDMYOMCQRFN-AWEZNQCLSA-N 313.405 3.018 0 40 DGAB CN(Cc1ccc(Cl)c(Cl)c1)C(=O)c1cnns1 97497617 IXXMBXBLDGIGLG-UHFFFAOYSA-N 302.186 3.117 0 40 DGAB C[C@@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ncon1 97047459 ZDLLHLDRRLSEIA-SECBINFHSA-N 313.279 3.056 0 40 DGAB Cc1cnc(C(=O)Nc2nc(Cc3ccccc3)cs2)cn1 97086043 ATBFGPJTKLNPFU-UHFFFAOYSA-N 310.382 3.085 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@@H]3CCOC3)s2)o1 97081310 MOIGLTGAVQAMOI-VXGBXAGGSA-N 305.399 3.471 0 40 DGAB O=C(NNc1ccccc1C(F)(F)F)[C@H]1C[C@H]1c1cccnc1 84501757 DGZZUNPOYQTHEH-RYUDHWBXSA-N 321.302 3.347 0 40 DGAB Cc1nccn1CCCC(=O)N1CCCC[C@H]1c1nccs1 72285888 HAAXZEMVSJHRQC-AWEZNQCLSA-N 318.446 3.182 0 40 DGAB O=C(CSCc1ccccc1F)Nc1ccc2c(c1)OCO2 24064844 UIQTWDRXXLGMDK-UHFFFAOYSA-N 319.357 3.426 0 40 DGAB C[C@H]1C[C@@H](NCCc2nnc3n2CCC3)c2ccsc2S1 95419906 NUYZZKLVTGPUQO-CMPLNLGQSA-N 320.487 3.044 0 40 DGAB CCC(=O)N1CC[C@@H](N[C@H]2CCCOc3c(C)cc(C)cc32)C1 95423905 CDYGFJSTHIBSMY-WBVHZDCISA-N 316.445 3.118 0 40 DGAB CCC(CC)n1nccc1C(=O)Nc1ccc(C(=O)O)cc1 95989374 RWKYGBMXUXULKD-UHFFFAOYSA-N 301.346 3.195 0 40 DGAB Cc1noc(C)c1CCCN[C@@H](C)c1ccc2c(c1)OCO2 95969133 AVKYFGHMDOIHLE-NSHDSACASA-N 302.374 3.304 0 40 DGAB O=C1CN(C(=O)CCCC2CCCCC2)c2ccncc2N1 75148590 ZMQSYVCIUUJUJA-UHFFFAOYSA-N 301.390 3.117 0 40 DGAB CCn1c(CN[C@@H](C)[C@@H](C)n2cccn2)nc2c(F)cccc21 75606678 YMSUUVGULZRCEJ-QWHCGFSZSA-N 315.396 3.131 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2ccc(F)cc2F)c1 20447835 DNEHXLGZJZSGBZ-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(F)c(F)c2F)cc1 28210878 YAJAWRUJSBFXLR-UHFFFAOYSA-N 309.287 3.085 0 40 DGAB Cc1cc(-c2nc([C@H]3CCO[C@H](C)C3)no2)c2c(C)noc2n1 547219757 IVHXPDAIMWFIED-KOLCDFICSA-N 314.345 3.172 0 40 DGAB Cc1cccn2c(=O)cc(CN3CC[C@H]4CCCC[C@@H]4C3)nc12 32511176 MPTQRAIMBWSTCP-HZPDHXFCSA-N 311.429 3.015 0 40 DGAB Cn1c(SCOCc2ccccc2)nnc1-c1cccnc1 185424245 AIJMSBABKOVDIK-UHFFFAOYSA-N 312.398 3.144 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1C 78403859 GCSBXSGYRXVCJG-CYBMUJFWSA-N 316.426 3.461 0 40 DGAB O=C(CCc1ccccc1)Nc1nnc(COc2ccccc2)o1 70719409 YZMOGKQDBYTCTL-UHFFFAOYSA-N 323.352 3.220 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@H]1c1ccncc1 36700784 HWWCZBVIURQARY-ZDUSSCGKSA-N 321.302 3.473 0 40 DGAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78403852 YLYXZXMUMICBQF-ZDUSSCGKSA-N 316.426 3.461 0 40 DGAB CCOC(=O)C[C@H](CC(C)C)c1c(O)c2ccccc2[nH]c1=O 72325299 LVNPLKGFERSDCX-LBPRGKRZSA-N 317.385 3.317 0 40 DGAB biogenic COc1ncccc1CNC(=O)Nc1cccc(Cl)c1C 40096515 SHGIENOJJYRJNI-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB Cc1ccc(C[C@@H](C)NC(=O)c2ccc3c(c2)OCO3)c(C)c1 524566885 DGRUEPOEADQEEH-CQSZACIVSA-N 311.381 3.393 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1C 44663087 GMNBAVQFLIEFOB-ZOWXZIJZSA-N 318.442 3.257 0 40 DGAB CCOc1ccc(NC(=O)C(C)(C)OC)cc1C(F)(F)F 225788699 ZRPGRIPRMZTKHL-UHFFFAOYSA-N 305.296 3.468 0 40 DGAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCC(=O)O)cc1 225698341 HKHWVBABVDSJBI-KRWDZBQOSA-N 323.389 3.074 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ccncc1 225638810 PNBZJISNNSHGGK-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB Cc1ccc(OCC(=O)NCCCc2ccc(F)cc2)cc1 222759996 NTWJPAUUNCSMOK-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB CCOC(=O)c1ccc2c(Cl)c(C(=O)OCC)cnc2c1 40174316 OEBGQWWPARFNRK-UHFFFAOYSA-N 307.733 3.242 0 40 DGAB CCOC(=O)c1ccc(NCc2ccc(C(=O)OCC)o2)cc1 40174269 PHKQHYXXYMAMNC-UHFFFAOYSA-N 317.341 3.245 0 40 DGAB Cc1occc1[S@@](=O)CCCc1nc(-c2ccccc2)no1 191201473 UFZTUFXBRFCJSY-QFIPXVFZSA-N 316.382 3.378 0 40 DGAB c1csc(CN2CCC[C@]3(COCCN(CC4CC4)C3)C2)c1 96049470 FVIPDGQCANHFOT-SFHVURJKSA-N 320.502 3.073 0 40 DGAB CC[C@](C)(NC(=O)/C=C/c1cccnc1)c1nc(C)cs1 96423320 ZQGKEPATQRVJQS-WAVCKPEOSA-N 301.415 3.301 0 40 DGAB CC1(C)CCN(C(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c2ccccc21 96100837 RMWIIMFQNFCQMW-KBPBESRZSA-N 313.397 3.368 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC2(CCCN2CC2CC2)CC1 96159387 BQRPLROUJUQIJW-UHFFFAOYSA-N 316.420 3.306 0 40 DGAB O=C1CN(c2ccccc2)C(=S)N1c1cccc(Cl)c1 98073023 JDYWBFOUTIMAPF-UHFFFAOYSA-N 302.786 3.478 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NC[C@H](C)Cn1ccnc1 97102358 NESRWCWYDYRQEH-NSHDSACASA-N 322.796 3.003 0 40 DGAB Cc1ccc(CN2CCC[C@]3(CCN(C(=O)C4CCC4)C3)C2)o1 96215946 IREGMEBPWVZQML-IBGZPJMESA-N 316.445 3.203 0 40 DGAB Cc1ccc(-c2c(C)sc3nc(CCC(=O)O)nn23)c(C)c1 95095801 KWXWFHAWKIGCIU-UHFFFAOYSA-N 315.398 3.400 0 40 DGAB COC[C@H]1CC2(CCN(c3cccc(C)n3)CC2)CN1C(C)C 96240303 LQXNGSUKNNYXLJ-QGZVFWFLSA-N 317.477 3.106 0 40 DGAB C/C(=C\c1nnc(-c2ccc(-n3cnnn3)cc2)o1)C(C)(C)C 584908546 BOQRGQULPAXBSJ-PKNBQFBNSA-N 310.361 3.162 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3cccs3)CC[C@@]2(C)C1 257312559 UONDQKKOFUHGAQ-UNEWFSDZSA-N 307.459 3.487 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H](c2ccncn2)C1 257303865 SJCKAROWIPEUJT-CQSZACIVSA-N 315.804 3.079 0 40 DGAB O=C(Nc1ncnn1-c1ccccc1)[C@H]1CCCC(F)(F)C1 289670057 GDYJACVCRBPVHK-NSHDSACASA-N 306.316 3.031 0 40 DGAB CCOC(=O)Cc1c[nH]c2c(F)ccc(Br)c12 669369869 MTLOHRUUHIIPNI-UHFFFAOYSA-N 300.127 3.175 0 40 DGAB Cc1csc(CC2(O)CCN(Cc3cccc(F)c3)CC2)n1 585141225 RPTJLPTWWUVNGI-UHFFFAOYSA-N 320.433 3.160 0 40 DGAB O=C(O)C[C@H](n1nc(C(F)(F)F)cc1C1CC1)C(F)(F)F 675031084 FDUSDUSOBFRNRN-QMMMGPOBSA-N 316.201 3.357 0 40 DGAB O=C(NC1CCCC1)NC1CCN(CC2CCCCC2)CC1 65985712 JKMVUHMBBAVTBJ-UHFFFAOYSA-N 307.482 3.273 0 40 DGAB CC(C)n1cc([C@@H](C)Nc2ccc(NS(C)(=O)=O)cc2)cn1 97045816 AHRDXAJWZBAYHS-GFCCVEGCSA-N 322.434 3.009 0 40 DGAB CC1(C)Cc2c(sc(NC(=O)c3ccco3)c2C(=O)O)CO1 5008205 VMYDQLIFTRBNHQ-UHFFFAOYSA-N 321.354 3.143 0 40 DGAB Cc1ccc2cc(CNc3ccc4c(c3)OCCO4)c(=O)[nH]c2c1 12566093 INPKEPUVWGKPNB-UHFFFAOYSA-N 322.364 3.220 0 40 DGAB Sc1nnc(COc2ccccc2)n1CCc1ccccc1 13426913 WHCBXYLJOXYMRI-UHFFFAOYSA-N 311.410 3.389 0 40 DGAB CSc1cccc(NC(=O)COc2ccc(C=O)cc2)c1 14737685 ZLGADDJGHCJKTN-UHFFFAOYSA-N 301.367 3.239 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC[C@H](C)C3)c12 14898714 UJYRNZPHFBMLRM-NSHDSACASA-N 312.417 3.026 0 40 DGAB O=C(c1ccncc1)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19347362 WLXGYWPNGAWKLX-MRXNPFEDSA-N 318.380 3.045 0 40 DGAB CCOc1ccc(NC(=O)COc2ccc(C)c(C)c2)c(N)c1 226358932 GZFDDWURHKGBIU-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB Cc1cc(N2CC[C@H](Oc3ccncc3C)C2)nc(C2CC2)n1 1889095421 AMQLMTKXXFFRDB-HNNXBMFYSA-N 310.401 3.024 0 40 DGAB Cc1cnn(CC2CN(Cc3ccc(Br)cc3)C2)c1 1848875062 UTGUOCGAIKZPRK-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB C[C@@H](NC(=O)C1CCCC1)c1ccc(NC(=O)C2CC2)cc1 27304593 UYNWAYGWKSPXOL-GFCCVEGCSA-N 300.402 3.403 0 40 DGAB Cc1ccnc(N2CCC[C@@H](COc3ncccc3Cl)C2)n1 2298187286 SMMOAFZHHAWLHQ-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 108150833 RRWGWOJWFSTIGK-HNNXBMFYSA-N 308.853 3.467 0 40 DGAB Cc1cc(C(=O)NC2CCCC2)c2c(C)nn(C(C)(C)C)c2n1 40128529 DASTTXBCJBCRKJ-UHFFFAOYSA-N 314.433 3.476 0 40 DGAB Cn1ncc(C(=O)Nc2cccc(Cl)c2)c1-n1cccc1 30809663 PWYQKBWNBNQVFH-UHFFFAOYSA-N 300.749 3.117 0 40 DGAB C[C@H]1CCCN(C(=O)C2CCN(C[C@H]3CC=CCC3)CC2)C1 317616 OLJQKWVTWYSZGV-IRXDYDNUSA-N 304.478 3.313 0 40 DGAB Cc1noc(COC(=O)c2ccc(COc3ccccc3)cc2)n1 32895099 DRYHMXIVFOGYAF-UHFFFAOYSA-N 324.336 3.314 0 40 DGAB CCN(CC)[C@@H](C)CNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 46266368 RWOZIPJBJYGKHH-WMLDXEAASA-N 321.440 3.403 0 40 DGAB CC1=C[C@@H](C)[C@@]2(CO)CO[C@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 519394 SCKWFJBWUFTIAS-IQCGBREGSA-N 316.397 3.314 0 40 DGAB c1cc(-c2nnc3n2CCCCC3)oc1CN1CCCCC1 2649161 SRFCBKHLODKMSC-UHFFFAOYSA-N 300.406 3.250 0 40 DGAB CCCn1ccc2ccc(NC(=O)NCc3ccnc(C)n3)cc21 76070772 GLTBWMDEYLGIOB-UHFFFAOYSA-N 323.400 3.471 0 40 DGAB CC(C)[C@H](OC(=O)c1cccs1)C(=O)NCc1ccccc1 1381116 RTEYXDQOYOCMSL-HNNXBMFYSA-N 317.410 3.246 0 40 DGAB CO[C@H](C)c1cccc(NCc2csc(NC(C)=O)n2)c1 78987636 BKSIPVCHMHGYMC-SNVBAGLBSA-N 305.403 3.421 0 40 DGAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)C[C@H]1CCCCO1 79013871 BDHWQDPTECHRKC-BXUZGUMPSA-N 302.823 3.385 0 40 DGAB CCc1ccc(Nc2cc(=O)n(C3CCCCC3)c(=O)[nH]2)cc1 2961217 BEECZJUNTCQHIH-UHFFFAOYSA-N 313.401 3.348 0 40 DGAB CN(C)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4252813 BJZFHAKLFYOOGM-UHFFFAOYSA-N 308.341 3.055 0 40 DGAB O=C([C@@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(Cl)cc2)CC1 101384663 UQYYTQBIBUHQGU-CKEIUWERSA-N 318.848 3.425 0 40 DGAB Cc1cc(N2CCN(Cc3ccco3)CC2)nc2ccccc12 53215948 HKDFPXYYMPTTOE-UHFFFAOYSA-N 307.397 3.458 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc2ccccc12 100178263 VIUCACLIKCQYBA-GZXFCSGKSA-N 315.372 3.397 0 40 DGAB C/C=C1/CN2CC[C@@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc12 8627617 VBKQRUUVDAWDIP-CLKJAKIKSA-N 310.397 3.014 0 40 DGAB Cc1cccc([C@H]2CC(c3ccco3)=NN2C(=O)[C@H]2CCCO2)c1 97165259 GDPGHXTYJINOST-SJLPKXTDSA-N 324.380 3.445 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(F)ccc2F)cc1C 20029915 RYDNXKIRFXYMLT-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB CCCNC(=O)c1nc(C)n(-c2cc(Cl)cc(Cl)c2)n1 3118881 AISICVCJIWQRTK-UHFFFAOYSA-N 313.188 3.022 0 40 DGAB OCC1CCN(c2ccccc2CN2Cc3ccccc3C2)CC1 1396380 XKVYEZDWVBYVLQ-UHFFFAOYSA-N 322.452 3.411 0 40 DGAB CCO[C@@H](C(=O)N[C@H]1CCN(c2ccccc2)C1)c1ccccc1 106668917 AAOBBQSMBJCAOK-PKOBYXMFSA-N 324.424 3.159 0 40 DGAB CN(C)[C@@H](CNC(=O)N1CCc2ccccc21)c1ccccc1 58845030 RUAWOUYTQHETBT-SFHVURJKSA-N 309.413 3.062 0 40 DGAB CC(=O)Nc1cc(NCC(=O)NC2CCCCCC2)ccc1F 43567960 OBYQERSUJSPDIF-UHFFFAOYSA-N 321.396 3.035 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCCCCC1 26566452 KDMIVVJCQCVCQY-GFCCVEGCSA-N 322.836 3.297 0 40 DGAB c1csc(-c2[nH]ncc2CNCc2ccc3c(c2)OCO3)c1 12530380 BHQSQIUPGVTYPS-UHFFFAOYSA-N 313.382 3.157 0 40 DGAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@H](C3)N2C(=O)C(C)C)cc1 100113883 IINRNKLFRNRMKT-CKEIUWERSA-N 303.402 3.110 0 40 DGAB Cc1ccc(C)c(CN(C)C(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 57631897 FVIAYAHJGIRWFK-CVEARBPZSA-N 303.402 3.153 0 40 DGAB O=C(C[C@@H]1C[C@@H]2CC[C@@H]1C2)NCc1cccc(Cn2ccnc2)c1 102801158 PMSDPHBJMIRGKE-LZQZEXGQSA-N 323.440 3.374 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@H](O)c1ccccc1C(F)(F)F 58282440 JNTPUFYIZRTCGS-RISCZKNCSA-N 313.319 3.211 0 40 DGAB Cc1cc([C@H]2CCCN2Cc2nc(Cc3ccccc3)no2)on1 48249256 MRGVDYPYZFSQFU-OAHLLOKOSA-N 324.384 3.294 0 40 DGAB Cc1ccc(COC(=O)CCNC(=O)c2ccccc2C)cc1 10596804 CPXINMMOTDEAHS-UHFFFAOYSA-N 311.381 3.167 0 40 DGAB Cc1cnc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)s1 12871428 QRICGQMZDIUZEW-UHFFFAOYSA-N 324.409 3.378 0 40 DGAB COCc1ccccc1NC(=O)NCc1cc(F)cc(OC)c1 92422297 ZIDWMMZBNUNSBI-UHFFFAOYSA-N 318.348 3.302 0 40 DGAB C[C@@H](C(=O)NCc1cccs1)N(C)Cc1cccc(F)c1 12902172 UZKMSTIQLWTHBK-LBPRGKRZSA-N 306.406 3.024 0 40 DGAB CN(Cc1cccc(Cl)c1)Cn1c(=O)oc2ccccc21 5067751 NCLVQBQUYMUCJO-UHFFFAOYSA-N 302.761 3.337 0 40 DGAB CC(C)(C)c1cc(-c2nc3c4cc(F)ccc4ncn3n2)n[nH]1 71284866 FAHFODMWOICYLP-UHFFFAOYSA-N 310.336 3.104 0 40 DGAB O=C(Nc1ccccc1Cl)N[C@@H](Cc1ccccc1)C(=O)O 5277664 PGTUOOFJGHAMOZ-AWEZNQCLSA-N 318.760 3.157 0 40 DGAB CC(C)NC(=O)CN1CCc2sccc2[C@@H]1c1cccs1 14123591 GXAZCJDIYQGVQG-MRXNPFEDSA-N 320.483 3.282 0 40 DGAB CC(C)NC(=O)Cn1c(-c2ccc(F)cc2)nc2ccccc21 28540293 VJOJKACOSDRHDS-UHFFFAOYSA-N 311.360 3.367 0 40 DGAB Cc1cc(C(=O)Nc2cc(F)ccc2F)c2c(C)noc2n1 14260744 YUWJTONBPDTVHU-UHFFFAOYSA-N 303.268 3.370 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)OCC(=O)c1ccc[nH]1 6560201 XEGZDDSTKVMFFR-UHFFFAOYSA-N 310.309 3.018 0 40 DGAB CCNC(=O)c1ccccc1-c1nc(-c2ccccc2C)no1 5574436 RDOPZOCSAVGBIL-UHFFFAOYSA-N 307.353 3.462 0 40 DGAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 6664243 AGMVYQFWYJCVGK-HNNXBMFYSA-N 305.381 3.030 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1cnc2ccccc2n1 6607654 TYCLYJGYHPJVBB-UHFFFAOYSA-N 303.243 3.299 0 40 DGAB COc1cccc(C(=O)N2CCN(C3CCC(C)CC3)CC2)c1 4745982 IUQZDAFGQUXJQA-UHFFFAOYSA-N 316.445 3.032 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12 14909948 FVIUJYPWWIMUGN-AWEZNQCLSA-N 320.392 3.279 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)[C@@H]1CC=CCC1 6821718 SPESJGFGSMKZTE-CYBMUJFWSA-N 320.820 3.471 0 40 DGAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[C@H]1c1ccccc1 71820891 AVJJJBHWJZUUMI-KRWDZBQOSA-N 304.349 3.115 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1cc(N)ccc1OC 19736205 OMMIYAOASBGMNV-INIZCTEOSA-N 314.385 3.382 0 40 DGAB COC(=O)c1ccc(COC(=O)c2cc(C)n(C3CC3)c2C)o1 7575528 YWPGGBOSPQNWDH-UHFFFAOYSA-N 317.341 3.176 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCCC[C@@H]1Cn1cccn1 70008795 BMYAUQHTGOWWPE-OAHLLOKOSA-N 308.385 3.059 0 40 DGAB COc1ccccc1NCC(=O)Nc1ccccc1SC 8342193 VJMNPVPGJQVYHL-UHFFFAOYSA-N 302.399 3.468 0 40 DGAB COc1ccc2c(CN3CCC[C@H]3c3ccc[nH]3)cc(=O)oc2c1 69442724 XLYAAQNDCQTODV-KRWDZBQOSA-N 324.380 3.467 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2cnn(-c3ccccc3)c2)c1 69531729 CJQDCANRCSOHSR-JKSUJKDBSA-N 309.417 3.117 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@H]2C[C@@H]2c2ccccc2Cl)no1 69619458 TWIZCLPMRDSWDL-HIFRSBDPSA-N 319.792 3.334 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)NCCCc1nc2ccccc2[nH]1 9756354 HVBHYNNWYIWQGZ-UONOGXRCSA-N 314.433 3.373 0 40 DGAB Cc1cc(C(=O)N[C@H](c2cccc(F)c2F)C(F)(F)F)on1 97085858 XOBKARMAPBSOCL-LLVKDONJSA-N 320.217 3.295 0 40 DGAB Cc1cc(C)c(NC(=O)c2cc(OCC(F)F)ccn2)c(C)n1 97046759 DZDMIVRHUMZXQK-UHFFFAOYSA-N 321.327 3.298 0 40 DGAB CCOc1ccccc1CNC(=O)NCc1csc(CC)n1 72271514 CNOCQTACGGUAEL-UHFFFAOYSA-N 319.430 3.104 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@H]1OCC[C@@H]1C 95971493 HYXRWUMLLLYDMD-GWCFXTLKSA-N 317.307 3.016 0 40 DGAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)c1cnccn1 95977874 OFMFPGVDFRUDBV-UHFFFAOYSA-N 318.547 3.395 0 40 DGAB COC(=O)[C@@H]1CCCCC[C@H]1NCc1csc(C2CC2)n1 95941457 RGFHILVGWUHJLI-ZIAGYGMSSA-N 308.447 3.232 0 40 DGAB COc1cccc(CNC(=S)c2cc(OC)ccc2OC)c1 408571790 FYZMUQBAKLJQNJ-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB C[C@H](CCc1ccco1)NC1CCN(C(=O)c2ccco2)CC1 89895800 BFBUXYWNODLOQX-CQSZACIVSA-N 316.401 3.088 0 40 DGAB CC(C)c1nnc(CN(Cc2cccc(O)c2)CC2CC2)o1 89893803 GCZVWKWWNSUDPQ-UHFFFAOYSA-N 301.390 3.311 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCn2cncc2C1)c1ccc2c(c1)CCCC2 89905076 DONYXZBBCDHTPY-KBXCAEBGSA-N 323.440 3.202 0 40 DGAB O=C(O)CCNC(=O)/C=C/c1cccc(Oc2ccccc2)c1 62715464 OMEIHXKZPLWCOT-MDZDMXLPSA-N 311.337 3.083 0 40 DGAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@@H]2C1CCCCC1 71281755 MXVLBUAGHQUFGF-CYBMUJFWSA-N 319.405 3.410 0 40 DGAB c1csc(CN2C[C@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)c1 306134015 NBTXCAPYJYBIDC-HOCLYGCPSA-N 322.437 3.236 0 40 DGAB CC(C)COC[C@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C 76954926 BTRKJYKMKFPRCU-HOCLYGCPSA-N 307.438 3.139 0 40 DGAB Cc1ccsc1C(=O)Nc1ncn(Cc2ccc(F)cc2)n1 32647678 VKZKLWRZDSXHPY-UHFFFAOYSA-N 316.361 3.088 0 40 DGAB O=Cc1cc(O[C@@H]2CCCCO2)cc(O[C@@H]2CCCCO2)c1 71255489 AUPXTEMIFWYDDZ-IAGOWNOFSA-N 306.358 3.310 0 40 DGAB CC(=O)N1CCC[C@@H]1CCc1ccc(-c2ccc(C)cc2)nn1 72365841 BDGWFRDVFIDZCL-GOSISDBHSA-N 309.413 3.396 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)cc2F)c1 30860758 RPAUIFXAINEGOT-JTQLQIEISA-N 307.296 3.379 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCC1 223755024 IHXYDKBQGGHUOJ-OAHLLOKOSA-N 316.445 3.263 0 40 DGAB Cc1cc(N2CCN(c3ccccc3C)CC2)nc(C2CC2)n1 341494951 YSXLSZJXFUEDQT-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1ccc(F)cc1 224912533 FFBRJZAIKQWUCG-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB CCCO[C@](C)(C(=O)Nc1ccc(OCCOC)cc1)C1CC1 225673078 FSDMFVCBWVCRLY-SFHVURJKSA-N 321.417 3.246 0 40 DGAB O=C(CCc1nc(-c2cccc3ccccc23)no1)NC1CC1 225827063 VCSYRXHKGCKZMX-UHFFFAOYSA-N 307.353 3.101 0 40 DGAB Cc1cccc(CCCNC(=O)COc2ccccc2F)c1 222776251 MUNWUYHIVZPZMR-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB CCCNC(=O)[C@@H]1Cc2c[nH]c3cccc(c23)[C@H](CC(C)C)N1 49171423 OOONPRFMHDOUGP-IRXDYDNUSA-N 313.445 3.296 0 40 DGAB biogenic,in-vitro C[C@@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)O)c1cccs1 195541849 MIVMXAPBJSWPRQ-ABAIWWIYSA-N 315.394 3.062 0 40 DGAB O=C(NCc1ccnc(-c2ccco2)c1)NCc1cccs1 225658018 QJUQQHWPPUPQJP-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC 225010427 WEAYDXYSPPSKJB-LSDHHAIUSA-N 304.434 3.119 0 40 DGAB COc1cccc(NC(=O)c2cc(OC)nn2-c2ccccc2)c1 227162476 UVXNQMRSOSQLGR-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2C)o1 96441202 OXWXHUPIODPXFG-UHFFFAOYSA-N 314.341 3.359 0 40 DGAB O=C(c1ccc(Cl)cn1)N(Cc1ccc(O)cc1)CC1CC1 95427664 PKKNVDAODXWROL-UHFFFAOYSA-N 316.788 3.493 0 40 DGAB CC(C)[C@@H]1CN(C(=O)N[C@H](C)CC[C@@H]2CCCO2)CCS1 96439665 PWCDWQLLPVAREC-ILXRZTDVSA-N 314.495 3.117 0 40 DGAB Cc1cn(C)c([C@@H]2CN(Cc3cccc4ccccc34)CCO2)n1 257290860 QEQDGDHFGLXQHD-IBGZPJMESA-N 321.424 3.455 0 40 DGAB Cn1ccc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)n1 257320942 VZJWLMZAWXAILP-CYBMUJFWSA-N 312.398 3.007 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)c1ccc(F)c(F)c1)OC 96384493 HCOGYEQUOKHYBI-MRXNPFEDSA-N 321.323 3.091 0 40 DGAB COc1cc(C)c(C)cc1NCc1cnc(N2CCCC2)nc1 657579059 IHTPQSHDQPBDAO-UHFFFAOYSA-N 312.417 3.314 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccc(C)cc1)CC2 585102971 NJLOGJKGEXFNKK-GOSISDBHSA-N 303.446 3.403 0 40 DGAB O=C(NCCCn1cnc2ccccc21)N1CCCCCC1 53559166 HOLRFFIZSSZFFO-UHFFFAOYSA-N 300.406 3.012 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 48140213 WEOGAIYCYUUJAL-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB CCc1noc(CCCC(=O)Nc2ccc(C)c3ncccc23)n1 56402640 XIKBTQDZCAVNRB-UHFFFAOYSA-N 324.384 3.450 0 40 DGAB COCCOc1c(Cl)cccc1NC(=O)NCc1ccco1 66888631 RYHZPDUFMKOIEO-UHFFFAOYSA-N 324.764 3.280 0 40 DGAB c1ccc2oc([C@H]3CCCN(c4ncnc5c4CCC5)C3)nc2c1 76921126 OMYSFCLXEOPHRB-ZDUSSCGKSA-N 320.396 3.491 0 40 DGAB Cc1cc(NCc2cc(-c3ccoc3)cs2)n2ncnc2n1 1775972602 MOIMXPHMDIEPNZ-UHFFFAOYSA-N 311.370 3.366 0 40 DGAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc2c(c1)CCCC2 5107097 NYAGMEYDFHGVNL-UHFFFAOYSA-N 324.376 3.097 0 40 DGAB CCOc1ccc2nc(SCC(=O)OC(C)(C)C)[nH]c2c1 18323182 OIVWSSWHQSYHPZ-UHFFFAOYSA-N 308.403 3.395 0 40 DGAB O=C(NC[C@H]1CCCN1c1nccs1)c1cccc(Cl)c1 206780818 PCMKBELWRZKNDP-CYBMUJFWSA-N 321.833 3.195 0 40 DGAB CC(C)CCCCCCCCCCC(=O)OC[C@@H](O)CO 35455975 ZGNRVILZVRTZON-INIZCTEOSA-N 302.455 3.440 0 40 DGAB biogenic,in-vitro CCCCn1c(=O)c2sccc2n(CC2CCCC2)c1=O 1888987376 HFCDWJOSIHYMQX-UHFFFAOYSA-N 306.431 3.215 0 40 DGAB Cc1csc(N2CCC(N(C)c3ncc(Cl)cn3)CC2)n1 1889084188 XEBDWBQRGZBFNH-UHFFFAOYSA-N 323.853 3.000 0 40 DGAB CC(=O)N1CC[C@H](N(Cc2ccccc2)Cc2ccccc2)C1 1169555873 MNCHCBUODDRLRY-FQEVSTJZSA-N 308.425 3.310 0 40 DGAB COc1ccccc1C(=O)Nc1ccc2c(c1)CCCN2C(C)=O 5373645 NWVJWZGWHDXEAD-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB O=S(=O)(c1ccc(F)c(F)c1)N1CCC(=C2CCC2)CC1 1775967365 OMQBKHVNGNYHED-UHFFFAOYSA-N 313.369 3.230 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)NCC[C@@H](O)C1CC1 77107809 ZBUKIMYWPXEBCN-HXUWFJFHSA-N 323.436 3.486 0 40 DGAB CC[C@@H](C)OC(=O)CNCCO[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101030092 HRPHOCGNCCHABP-ATNYBXOESA-N 311.466 3.149 0 40 DGAB CCOc1ncccc1CNC(=O)/C=C/c1cccc(Cl)c1 30309487 SGHPKXYPVGOAMV-CMDGGOBGSA-N 316.788 3.463 0 40 DGAB CCOCCO[C@H](C)C(=O)Nc1ccc2c(ccn2CC)c1 51385628 SPTPJVAVTGUBHV-CYBMUJFWSA-N 304.390 3.041 0 40 DGAB CC(=O)c1cccc(NC(=O)COc2cccc3[nH]ccc23)c1 20728337 JDHSSQVZXFSALH-UHFFFAOYSA-N 308.337 3.388 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2O)cc1 21001222 XMSZPGWFDUDYCN-LBPRGKRZSA-N 301.342 3.115 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2ccccc2)c(OC)c1 365530 UZAWBYHNQBXIHP-UHFFFAOYSA-N 300.310 3.091 0 40 DGAB CN(C(=O)c1ccn(-c2ccc(F)cc2)n1)C1CCCCC1 32833003 FFPJVGYLINMUKA-UHFFFAOYSA-N 301.365 3.416 0 40 DGAB Cc1csc(N2CCC(NC(=O)c3ccccc3C)CC2)n1 84234581 LQVWRRWVVWKXNV-UHFFFAOYSA-N 315.442 3.159 0 40 DGAB CC1=C[C@H](O)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 1637027 MXANCGMHRZANOV-YUMQZZPRSA-N 306.246 3.195 0 40 DGAB CC(=O)c1cccc(N(C)S(=O)(=O)c2ccc(C)cc2)c1 1666781 NGQLIMCNYHEETR-UHFFFAOYSA-N 303.383 3.023 0 40 DGAB CCN(C)[C@H](C(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 78402322 FBMHYPYPYQVWGJ-INIZCTEOSA-N 300.406 3.165 0 40 DGAB CCn1ncc([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)c1C 2795464 GJTOSLLBCMIUAW-GFCCVEGCSA-N 324.384 3.357 0 40 DGAB O[C@@H](CNCCc1ccccc1)COc1cccc2ccccc12 3605023 WGWCQQJDGPKRGN-IBGZPJMESA-N 321.420 3.412 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccc3c(c2)OCCO3)cc1 4151763 JJWFHHZYHZNYQE-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 7192799 JGTULEFFCMSNBB-ZJUUUORDSA-N 319.455 3.305 0 40 DGAB O=c1cc(-c2ccc(Cl)cc2)[nH]n1-c1nc2ccccc2[nH]1 8739952 YQBKGTYPUDRGSK-UHFFFAOYSA-N 310.744 3.362 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NCCC1CCCCC1 8088109 RXZZGTREANRMFJ-UHFFFAOYSA-N 302.418 3.274 0 40 DGAB CCN(CC)Cc1ccc(C(=O)N2CCc3sccc3C2)o1 41865893 TVEPBANUJYJRAO-UHFFFAOYSA-N 318.442 3.381 0 40 DGAB NC(=O)c1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)cc1 61570463 UBDQSSQZNKMZHK-KRWDZBQOSA-N 314.429 3.361 0 40 DGAB Cn1nccc1CNC(=O)c1sc2ccccc2c1Cl 23193632 JYUXUGMDKFXECT-UHFFFAOYSA-N 305.790 3.218 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)NC2CCCCCC2)c1 47640393 FGDNCIMHMGHNMO-UHFFFAOYSA-N 303.406 3.167 0 40 DGAB Oc1ccccc1Oc1ncc(Br)c(Cl)n1 1245124 RXDCRUIUTXGGKA-UHFFFAOYSA-N 301.527 3.390 0 40 DGAB CN[C@@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(Cl)cc1 61886125 KHCZBRQXKFBDLU-RDJZCZTQSA-N 303.789 3.498 0 40 DGAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccncc3)c12 12534435 OLMDHDSFXHKBSP-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB COC(=O)c1cccc(CS[C@H](C)C(=O)NC(C)(C)C)c1 25689364 IBPAZPONWNOYMY-LLVKDONJSA-N 309.431 3.010 0 40 DGAB O=C(NC(C1CC1)C1CC1)N(Cc1ccco1)C[C@H]1CCCO1 56596081 UPEYSVRPIUOJLF-MRXNPFEDSA-N 318.417 3.159 0 40 DGAB COc1ccc([C@@H](CNc2cnc3ccccc3n2)N(C)C)cc1 26135466 OSEGTQZZAYHLLY-GOSISDBHSA-N 322.412 3.353 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccccc1 22839487 WFYUYGUMMSGODU-GOSISDBHSA-N 311.429 3.333 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 12545900 IVSGFEIQFVEPCB-ZDUSSCGKSA-N 319.449 3.022 0 40 DGAB NC(=O)c1ccc(CN2CCCc3cc(F)cc(F)c32)cc1 26726588 VUHBIWJQVWZQRN-UHFFFAOYSA-N 302.324 3.017 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H](CN(Cc3ccccc3)C2)C1 26896102 JFLCCGFMLBSXBA-CALCHBBNSA-N 316.445 3.375 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2nccn2CC(F)(F)F)c1 57756222 VIGDQGNTCYHCPP-UHFFFAOYSA-N 311.307 3.026 0 40 DGAB O=C(Nc1ccccc1Sc1nncs1)c1ccccn1 58165952 NILOIZNOMZVMBZ-UHFFFAOYSA-N 314.395 3.337 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccccc1)c1ccccc1F 12604264 NPQYGCZHXMNOEP-MRXNPFEDSA-N 309.344 3.079 0 40 DGAB CC(C)Oc1ncc(C(=O)Nc2nc(C(C)C)n[nH]2)cc1Cl 58345535 AXTRGGMQTKUXSX-UHFFFAOYSA-N 323.784 3.016 0 40 DGAB C[C@H](OC(=O)c1ccc(O)cc1O)C(=O)c1cccc(Cl)c1 10386781 KEUVPYHXGDZDGA-VIFPVBQESA-N 320.728 3.179 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)cc1 3388071 BICDUDMKBIWSIC-UHFFFAOYSA-N 301.386 3.159 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3384627 ARMDJGYGNZWZBF-VIFPVBQESA-N 324.789 3.289 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@H](C)C1 36714409 MRJBVEBWQGLNNP-KBXCAEBGSA-N 312.413 3.209 0 40 DGAB CC(C)c1nc2cc(NC(=S)NC[C@H]3CCCO3)ccc2o1 46111318 VEFYBWXYNHNTCQ-GFCCVEGCSA-N 319.430 3.417 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3488907 XJWOVPZJBFXQNX-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB Cc1ccc([C@H](CNC(=O)C[C@@H]2C=CCC2)N2CCCC2)o1 69513623 ZZRGAKFSHAJDIB-CVEARBPZSA-N 302.418 3.197 0 40 DGAB COc1cccnc1NC(=O)CCSc1ccc(F)cc1 69559504 VAWUWIJFRBRJLJ-UHFFFAOYSA-N 306.362 3.350 0 40 DGAB COc1cccc(N2CC[C@H](CNC(=O)C[C@@H](C)C3CC3)C2)c1 69586959 XASSGDASAQCYNW-HUUCEWRRSA-N 316.445 3.074 0 40 DGAB NC(=O)c1ccc(COC(=O)c2sccc2C2CC2)cc1 64124188 QBAHBDHYQCWJLD-UHFFFAOYSA-N 301.367 3.081 0 40 DGAB CCCCCc1c(C)[nH]c2[nH]n(-c3ccccc3)c(=O)c2c1=O 18222478 JNZWJZOVXGONLU-UHFFFAOYSA-N 311.385 3.048 0 40 DGAB Cc1c([C@@H](C)NC(=O)N2CCC[C@H](O)C2)oc2ccc(F)cc12 69897336 QACKCXCVSSCJNV-YPMHNXCESA-N 320.364 3.108 0 40 DGAB CC(=O)N1CCC(N(C(=O)c2ccccc2)c2ccccc2)CC1 69842785 HSENLFXXQPZRIT-UHFFFAOYSA-N 322.408 3.344 0 40 DGAB O=[S@](CCNc1ncnc2ccsc12)c1ccccc1F 69817016 NXWHBHTZNFYMNC-NRFANRHFSA-N 321.402 3.050 0 40 DGAB Cc1cn(CC(=O)N2CCC[C@H](n3ccnc3)C2)c2ccccc12 69917596 JBAXMRVTNBYZGF-INIZCTEOSA-N 322.412 3.010 0 40 DGAB COc1ccc(-c2nc(Cl)n(-c3nc(C)cc(C)n3)n2)cc1 22125568 VRHVYZYTJCSRNG-UHFFFAOYSA-N 315.764 3.003 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1C 14562132 IRWJIKGHWOLYJY-UHFFFAOYSA-N 310.397 3.316 0 40 DGAB Cc1cccc(CN2CCC[C@H](C(=O)N3CCCCC3)C2)c1 4746268 FSRBVJHOSUMFQA-SFHVURJKSA-N 300.446 3.220 0 40 DGAB COc1cc(CNC(=O)N(C)[C@H](C)C2CC2)c2ccccc2n1 80494567 HTJQNQLEZXQCGR-GFCCVEGCSA-N 313.401 3.183 0 40 DGAB CSc1ccccc1C(=O)O[C@H](C)C(=O)NC1CCCCC1 7431668 ANZURMCOIBECBQ-GFCCVEGCSA-N 321.442 3.403 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C)Cc1ccsc1 7926854 FONICKPPBVSQEF-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB COc1cccc2[nH]cc(CC(=O)Nc3cccc4cn[nH]c34)c12 97233360 SJODQQQCWFQSPG-UHFFFAOYSA-N 320.352 3.234 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)c2cc(F)c(O)c(F)c2)c1 97237017 OPYBBIZKDZPLJB-UHFFFAOYSA-N 324.258 3.020 0 40 DGAB CCS[C@H]1CCCCN(Cc2nc(=O)c3ccccc3[nH]2)C1 71899659 MSUBSNUHXMTHMU-ZDUSSCGKSA-N 317.458 3.031 0 40 DGAB CC[C@H](C(=O)OC)N(C(=O)c1ccc(C)o1)c1ccccc1 72287313 WFMQBSWJIGTIGE-CQSZACIVSA-N 301.342 3.186 0 40 DGAB O=C(NCc1noc(-c2cccc3[nH]ccc23)n1)c1ccccc1 95410490 FTWNUOJWZFFEHG-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB CCCc1cc(C(=O)N[C@H]2CC[C@@H](C(=O)OCC)C2)sc1C 95418761 UORJDTYPXLDRKZ-KGLIPLIRSA-N 323.458 3.471 0 40 DGAB Cc1ccc(F)c(C(=O)N[C@H](CC(=O)O)c2ccccc2)c1 95958232 CKAOUNFSNHNWBM-OAHLLOKOSA-N 301.317 3.080 0 40 DGAB CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCCC(=O)NCc1ccccc1 95971782 ISOPDDHDXLSXJK-AOIWGVFYSA-N 314.473 3.497 0 40 DGAB Cc1oc(C)c(C(=O)NCCc2ccccn2)c1Br 95948834 BPEANJWLKOWIQU-UHFFFAOYSA-N 323.190 3.026 0 40 DGAB CCC(C)(CC)NC(=O)Nc1cccc(N2CCOC2=O)c1 75138266 GOOVWAVPMUCADQ-UHFFFAOYSA-N 305.378 3.343 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2CCCOC2)cc1 89632157 QMKKBRZVYVROPZ-HZPDHXFCSA-N 305.443 3.038 0 40 DGAB Cc1cc(C(=O)Nc2c(F)cccc2F)c2c(C)noc2n1 61721776 PXFWWKYGNNAQDK-UHFFFAOYSA-N 303.268 3.370 0 40 DGAB CC(C)c1nnc(CCC(=O)N2CC[C@H](c3ccccc3)C2)o1 36753068 UFFBZTSBGFKENM-HNNXBMFYSA-N 313.401 3.142 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)cc1 36635626 PDYWDQCKCNFVKG-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB COc1ccccc1Oc1ccc(C(=O)Nc2cnn(C)c2)o1 72265305 UAASXMIQGUYTLT-UHFFFAOYSA-N 313.313 3.066 0 40 DGAB CCCn1cc(C(=O)OCC)c(=O)c2cc(F)c(Cl)cc21 73310708 YZILVLNHJOAKJH-UHFFFAOYSA-N 311.740 3.381 0 40 DGAB O=C(Cc1ccc2c(c1)OCC2)NCCc1c[nH]c2ccccc12 79193646 GWCODMTZSBXJAT-UHFFFAOYSA-N 320.392 3.004 0 40 DGAB biogenic Cc1cccc(O[C@H]2CCCC[C@@H]2NC(=O)c2ccon2)c1 133591491 YZVQNYIBNUTMIR-HOCLYGCPSA-N 300.358 3.103 0 40 DGAB COCc1cccc(OC(=O)c2ccc(F)c(NC(C)=O)c2)c1 79037554 JRXIFJBZPCBTNF-UHFFFAOYSA-N 317.316 3.150 0 40 DGAB COc1ccc(NC2CCC(NC(C)=O)CC2)cc1OC(C)C 134136164 CXZKFJQOAJSFHA-UHFFFAOYSA-N 320.433 3.342 0 40 DGAB O=C(NCc1cccnc1-c1ccncc1)NC1CCCCC1 225750236 NMXARWUHIOKRTO-UHFFFAOYSA-N 310.401 3.276 0 40 DGAB Cc1cccc(C(=O)N2CCSC[C@@H]2c2ccc(C)o2)n1 81346405 GWAYUNYDTYOFHA-CQSZACIVSA-N 302.399 3.222 0 40 DGAB O=C(Cc1cccs1)NCc1cccc(CN2CCCC2)c1 46374472 VRZQIQMJHRHNAL-UHFFFAOYSA-N 314.454 3.203 0 40 DGAB O=C([C@H]1CSCCS1)N(CC(F)F)c1ccc(F)cc1 193844820 YRRIAAMHQUUEGC-LLVKDONJSA-N 321.389 3.272 0 40 DGAB COc1ccc(NC(=S)N[C@H](C)c2ccccc2C)cn1 225755426 DNPGNZKCKOWLOW-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NC(C)C 222503457 NJWAQFFLIFCUKK-MRXNPFEDSA-N 304.434 3.037 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)COc2ccc(F)cc2)c1 224107261 LNTNZJQTJONGRJ-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB FC(F)(F)COc1ccc2ccccc2c1CN1CCNCC1 85392156 LSMOFSMPNYTUGY-UHFFFAOYSA-N 324.346 3.186 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)N3CCCCCC3)n2)c1 41184480 ZUWAAICHAMFGHV-UHFFFAOYSA-N 313.401 3.380 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)c1 95915155 DZVKZWQGUQYRLC-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CN(CCc1ccccn1)C(=O)c1ccc(-c2ccccc2)n1C 96426303 DWKFZCOYAMJYNL-UHFFFAOYSA-N 319.408 3.402 0 40 DGAB C[C@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@H](c2ccco2)C1 96443609 KGUFSKGJOTZUAT-BBRMVZONSA-N 323.396 3.489 0 40 DGAB CCO[C@@H]1C[C@@H](NC2CCN(CC(F)F)CC2)C12CCCC2 96478807 IIBLMRUVCYLOCR-HUUCEWRRSA-N 316.436 3.043 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 95989352 DCXCWXWFNSMODT-RCCFBDPRSA-N 323.392 3.267 0 40 DGAB c1cncc(COC[C@@]23CCCO[C@@H]2CCN(C2CCC2)C3)c1 96040148 ZBFGURHVZVHBQB-MOPGFXCFSA-N 316.445 3.022 0 40 DGAB CCn1cc(N[C@@H](C)C(=O)Nc2cc(Cl)ccc2C)cn1 97377385 GOHDOZBGNAPRAN-NSHDSACASA-N 306.797 3.304 0 40 DGAB CCN1CCC2(CC1)C[C@H](CC(=O)N(C)C)c1ccc(F)cc12 96100650 UFVGSPACIZUAIN-AWEZNQCLSA-N 318.436 3.145 0 40 DGAB COc1ccc([C@H](C)[C@@H](C)NC(=O)c2cc(OC)ns2)cc1 585123514 YPLBKADLWADYGS-GHMZBOCLSA-N 320.414 3.082 0 40 DGAB C[C@H](c1nnnn1C1CCCCC1)N(C)CCC(F)(F)F 252489919 KEYFWJOAHAEVMC-SNVBAGLBSA-N 305.348 3.124 0 40 DGAB Cc1cnc(C2(C)CCN(C(=O)c3cscn3)CC2)s1 257300615 RVBKAQIGWBKYQB-UHFFFAOYSA-N 307.444 3.102 0 40 DGAB Cn1cncc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 257212879 CFHNTRVYKONZPD-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4ncccc4c3)C2)n1 257277317 NXMFMOYEAXSBAQ-INIZCTEOSA-N 320.396 3.286 0 40 DGAB O=C(NCc1nccnc1-c1ccco1)c1ccc(Cl)s1 390832055 WXWYAISRXGGAGQ-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CC1(C)CC[C@H]2CN(C(=O)Cc3ccsc3)CC[C@@]2(C)O1 585286500 SFXCZBBWODVGMN-WMLDXEAASA-N 307.459 3.487 0 40 DGAB Nc1nc(COC(=O)c2ccc3cc[nH]c3c2)nc2ccccc12 46470657 MZQSNKOPZIEBKB-UHFFFAOYSA-N 318.336 3.050 0 40 DGAB COc1ccc(NC(=O)C[C@@H](CC(=O)O)c2ccccc2)cc1 152779 KZHZIPGFHPRPGL-AWEZNQCLSA-N 313.353 3.282 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NCc2ccc(Cl)cc2)c1 5184382 KPDGGYKLOABYNP-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB C[C@H](Sc1ncnc2sc(-c3ccccc3)cc12)C(N)=O 5212843 QUYQZOCMCIVIDA-VIFPVBQESA-N 315.423 3.324 0 40 DGAB O=C(O)CCC[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 12649180 CKTKTEQFRVSTPP-CQSZACIVSA-N 305.374 3.290 0 40 DGAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccccc1F 13084925 YTGRPIWRGMVZEU-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB c1ccc2c(c1)ncn2COCCOCn1cnc2ccccc21 16545650 RPGKYMOODAKCEO-UHFFFAOYSA-N 322.368 3.034 0 40 DGAB CCOc1ccc(NC(=O)NCC2(OC)CCSCC2)cc1 225594379 BLOIUMNGKWNTEE-UHFFFAOYSA-N 324.446 3.119 0 40 DGAB O=C(N1[C@H]2CC[C@H]1CC(F)C2)C1(c2ccccc2)CCOCC1 1775995078 AAQCDICVNAAIPG-IRXDYDNUSA-N 317.404 3.226 0 40 DGAB CCOCc1cncc2c1CCN(C(=O)[C@@]1(C)CC=CCC1)C2 1614934338 JJYJPMAQRRPLGL-IBGZPJMESA-N 314.429 3.249 0 40 DGAB Cc1ccc(-c2nnc(NC(=O)COc3ccccc3)o2)c(C)c1 4479474 LUTRPKFBENAJQD-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB O=C(NC[C@H]1COC2(CCCC2)O1)Nc1ccc(Cl)cc1 4941413 RUGMAOQFSFHHET-ZDUSSCGKSA-N 310.781 3.147 0 40 DGAB O=C(Nc1ccc(SCc2cccnc2)nn1)c1ccco1 11696693 UTAHYZFXWQNLJJ-UHFFFAOYSA-N 312.354 3.009 0 40 DGAB CC(=O)Nc1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 12441972 MVNPDFRZNNOGHN-UHFFFAOYSA-N 316.361 3.402 0 40 DGAB c1ccc2c(c1)ncn2C1CN(c2cc(C3CCC3)ncn2)C1 1775974061 AVKCSSNCCSYJFG-UHFFFAOYSA-N 305.385 3.155 0 40 DGAB O=C(NCC1(c2cccs2)CC1)c1cc(-c2ccco2)on1 49521034 ZCKUSWCHJQMQPF-UHFFFAOYSA-N 314.366 3.458 0 40 DGAB CCN(CC)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50080965 KDOPEKNJWHUIOX-OKILXGFUSA-N 305.422 3.174 0 40 DGAB Cc1nc2c3cc(F)ccc3n(CCN3CCOCC3)c2s1 20059435 HYPOXYKRFBIKRP-UHFFFAOYSA-N 319.405 3.031 0 40 DGAB CCOc1ncccc1CNC(=O)Cc1ccc2c(c1)CCCC2 30308652 NOVBTEPBYHJVQL-UHFFFAOYSA-N 324.424 3.218 0 40 DGAB CCOC(=O)c1c(NC(=O)CC)sc2c1CC(C)(C)OC2 102983 KZXIJEGZKNMJHB-UHFFFAOYSA-N 311.403 3.125 0 40 DGAB COc1cc(C)c(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 377885 NZOQVDTYPNRDLK-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB CCOC(=O)CSc1ncnc2sc3c(c12)CCCC3 156131 OWSWEMSWWIEIED-UHFFFAOYSA-N 308.428 3.225 0 40 DGAB CC[C@@H](C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 513596 LEIPCLACYZYVKP-GFCCVEGCSA-N 312.369 3.215 0 40 DGAB O=C(Nc1ccc(Cl)cc1Cl)C(=O)NC1CCCCC1 3185846 YHQLXBKVDXFTLI-UHFFFAOYSA-N 315.200 3.381 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C(C)=O)c2)cc1C 6362204 ZRPKFRPRVXZOQO-UHFFFAOYSA-N 319.382 3.007 0 40 DGAB CCOC(=O)Nc1on[n+](-c2ccccc2)c1-c1ccccc1 6403192 PMGNKYHPWFUPNW-UHFFFAOYSA-O 310.333 3.187 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1cc(F)ccc1F)c1ccccc1 7987666 FEPOHFTXCQEUSJ-OAHLLOKOSA-N 318.323 3.171 0 40 DGAB COc1cc(C=O)ccc1OCCCN1C[C@@H](C)C[C@H](C)C1 8731458 OORCWKMBMDLTPT-GJZGRUSLSA-N 305.418 3.255 0 40 DGAB COc1cccc(CNC(=O)CCn2nc(C)c3ccccc32)c1 57280016 MHIZTWKRRPRJCH-UHFFFAOYSA-N 323.396 3.060 0 40 DGAB CCc1nc(C)c2c(C)c(C(=O)N3CCSCC3)sc2n1 53818396 MQVMLEJOTNGODY-UHFFFAOYSA-N 321.471 3.060 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NC(C)C 47572395 DELYZJVXQJAVMV-UHFFFAOYSA-N 305.809 3.210 0 40 DGAB COCc1ccc(C(=O)Nc2ccc(-n3ccnc3)cc2)cc1 23889784 WXMNBUURHLAETQ-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB CC1CCN(Cc2ccc(NC(=O)[C@H]3CCCO3)cc2)CC1 43268816 WIRWJUIUXZDGOA-QGZVFWFLSA-N 302.418 3.036 0 40 DGAB CCc1cc(S(=O)(=O)NCc2ccc(C)cc2)ccc1OC 113969779 BAKMFRFTGMAJBR-UHFFFAOYSA-N 319.426 3.045 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)Cc1ccsc1 3217244 KDSSIGMPPJXPDF-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1cc(Cl)cc(Cl)c1 3217096 YEWICYOHZAGLIM-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)C1(c2ccc(F)cc2)CC1 44401146 SHWCVOBZQAYUKB-UHFFFAOYSA-N 322.343 3.077 0 40 DGAB C[C@@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@@H](C)O1 26990064 MJGKQPHAPBYJGD-ZOUVEMKTSA-N 324.218 3.098 0 40 DGAB C[C@@H](NC(=O)NC[C@H](c1ccco1)N(C)C)c1cccs1 44891227 KRTZRIUOMAYMIZ-VXGBXAGGSA-N 307.419 3.004 0 40 DGAB O=C(c1ccc2ncsc2c1)N1CCN(c2ccccc2)CC1 3378230 SRNHDWFIUJYEDI-UHFFFAOYSA-N 323.421 3.259 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)NCc2ccc(F)c(C)c2)on1 44967386 MRWRRMSYTAPHGU-OAHLLOKOSA-N 317.364 3.477 0 40 DGAB CC(C)C[C@@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 3301879 DTECEZFVWOGNMM-LLVKDONJSA-N 318.204 3.015 0 40 DGAB O=C(CSCc1nc2ccccc2s1)NCc1ccco1 11101291 ZZVVBYPGVSCHKC-UHFFFAOYSA-N 318.423 3.439 0 40 DGAB Cc1ccc(CNC(=O)NCCCCN2CCC(C)CC2)s1 45680067 DMLMPVQMMMSAJW-UHFFFAOYSA-N 323.506 3.368 0 40 DGAB FC(F)(F)c1ccnc(NCc2ccc(-n3cccn3)cc2)n1 45802161 BAERQSFPSGQAPQ-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)c1 3443022 WYLHBGXVWKBNOV-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCC(=O)c1cc(F)ccc1OCC(=O)NCc1cccs1 12911670 NPARQIUMDKMGSJ-UHFFFAOYSA-N 321.373 3.175 0 40 DGAB O=[S@](Cc1ccccc1)Cc1ccn(-c2cccc(F)c2)n1 69697574 RUJJQRJMDVOLIG-QFIPXVFZSA-N 314.385 3.460 0 40 DGAB COc1ccc(C)cc1C(=O)N[C@H](CC(=O)O)c1cccs1 13389945 CUHZUXLOMBAJQB-GFCCVEGCSA-N 319.382 3.011 0 40 DGAB COc1cccc(-c2nsc(NC(=O)c3ccoc3)n2)c1 69618585 LEGHEIIMJCVDGG-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB Cc1nc(CNS(=O)(=O)c2ccc3ccccc3c2)cs1 4166818 OQWYAQAPTQFBHO-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB COCCSc1ccc([C@@H](C)NC(=O)c2ccc[nH]2)cc1 69770742 ZPKQRGSYFFIQQG-GFCCVEGCSA-N 304.415 3.244 0 40 DGAB C[C@H](OC(=O)CC[C@H](N)C(=O)O[C@H](C)C(C)(C)C)C(C)(C)C 6020274 NWFOJMQOKNLKHC-XQQFMLRXSA-N 315.454 3.050 0 40 DGAB Cc1cnc(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)cn1 69705213 HNZNAGMCAHGKOZ-SNVBAGLBSA-N 304.419 3.030 0 40 DGAB Cc1cccc(NC(=S)N(CCO)Cc2ccccc2)c1 6332125 CDYRKCNELLJHCT-UHFFFAOYSA-N 300.427 3.186 0 40 DGAB CCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 14022443 VTZMXTBTPOOWIV-LLVKDONJSA-N 310.353 3.221 0 40 DGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccccc1Cl 6599998 YWCWUAZCVUXOTE-UHFFFAOYSA-N 317.772 3.084 0 40 DGAB CCOc1ccc(NC(=O)N2CC[C@H](N3CCCC3)C2)cc1C 66161146 JBKVLIBQLNCLEU-INIZCTEOSA-N 317.433 3.096 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Oc1ccccc1F 70738751 HQAGRQYVEZPZLH-GFCCVEGCSA-N 309.337 3.131 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccccc2OC(F)F)cc1 5660607 RABSMBGDADBKDD-UHFFFAOYSA-N 321.279 3.327 0 40 DGAB C[C@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NC1CC1 5710476 KDNZDASHTXNCJR-ZDUSSCGKSA-N 324.380 3.254 0 40 DGAB CCc1cccc(CC)c1NC(=O)CSc1nccn1C 4805170 VJWNMRUOHGPJLR-UHFFFAOYSA-N 303.431 3.276 0 40 DGAB Cc1ccc(OCCNC(=O)CSc2ccccc2)cc1 8237392 BAKJRYOKNVDCPS-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB C[C@H]1CO[C@H](c2ccccc2)CN1C(=O)c1cccnc1Cl 71894174 AHVJXWSBKGXJRF-WFASDCNBSA-N 316.788 3.337 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCCC[C@H]2Cn2cccn2)c(C)o1 71865430 GYCHFWZHIRAAQL-HOCLYGCPSA-N 315.417 3.278 0 40 DGAB COc1cccc(NC2CCN(CCc3ccccn3)CC2)c1 71897360 AEIGQSKTAPWBQQ-UHFFFAOYSA-N 311.429 3.209 0 40 DGAB COc1ccc([C@@H]2CCCN2c2cncc(-n3cccn3)n2)cc1 71810512 ZWJABDKTHXZBHC-INIZCTEOSA-N 321.384 3.012 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)NC3CCCC3)CC2=O)cc1Cl 9667451 KWZXGAKISKDFFE-GFCCVEGCSA-N 320.820 3.060 0 40 DGAB Fc1ccccc1Cc1nnc(NCc2cccc3cn[nH]c23)o1 97045515 APGCZMWTEPQALC-UHFFFAOYSA-N 323.331 3.288 0 40 DGAB CC[C@@H](C)c1cc(C(=O)Nc2cccc(NC(=O)NC)c2)on1 95401267 XZSPBBVBBHGLPX-SNVBAGLBSA-N 316.361 3.192 0 40 DGAB N=C(SCCOc1ccc2ccccc2c1)N1CCOCC1 73752888 JJBVGUDDRODDOI-UHFFFAOYSA-N 316.426 3.219 0 40 DGAB CCn1c(C)nnc1COc1ccccc1N1CCC[C@H](C)C1 95994818 GBSJECLUUDLCFN-AWEZNQCLSA-N 314.433 3.422 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)Cc1c(C)noc1C 95948627 JKCGBVXGYUWBSZ-LBPRGKRZSA-N 302.374 3.062 0 40 DGAB COC(=O)[C@H]1CCN(Cc2nccn2C(C)C)c2ccccc21 95976184 PTCVLXXCCJOGFY-HNNXBMFYSA-N 313.401 3.131 0 40 DGAB CC(C)(C)SCCCC(=O)Nc1nc2ccc(F)cn2n1 89694489 KTLCMABGPFJHLT-UHFFFAOYSA-N 310.398 3.119 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 89996889 RYOWLCNCKSFXIC-HZPDHXFCSA-N 318.804 3.417 0 40 DGAB CC[C@@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 20484482 WXXVCPZYESEXHN-MRXNPFEDSA-N 307.390 3.396 0 40 DGAB O=Cc1cc(Br)c(N2CCc3ccccc3C2)o1 408559024 XALIQEHZMHKJHH-UHFFFAOYSA-N 306.159 3.417 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)N[C@@H](C)c2ccccc2)c1 32477417 ZYAKEUYFDUQYTO-LSDHHAIUSA-N 313.397 3.478 0 40 DGAB Cc1cocc1C(=O)N1CCN(c2cncc3ccccc23)CC1 529129884 KMZXJYDDNNWIJE-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB C[C@H]1[C@@H](C)SCCN1C(=O)N[C@@H](c1nccs1)C1CC1 74709639 XJCVAUHPFZLLDG-HOSYDEDBSA-N 311.476 3.130 0 40 DGAB O=C(CSc1ccccc1)NCCOc1ccc(F)cc1 30526417 MMPPHHVBKDWUBE-UHFFFAOYSA-N 305.374 3.113 0 40 DGAB c1cnc(Nc2nccnc2[C@@H]2CCCN2C2CCCCC2)nc1 72363429 UMDCILGMALYYNB-HNNXBMFYSA-N 324.432 3.480 0 40 DGAB COc1ccc(C(=O)NCCSCc2ccco2)cc1F 138689951 MTIATPXLHOZVPS-UHFFFAOYSA-N 309.362 3.091 0 40 DGAB CC(C)Cc1nnc(NC(=O)c2cn(C)c3ccccc23)s1 40267481 NAMUNCMCBPJYPO-UHFFFAOYSA-N 314.414 3.481 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cccc(C)c1C)c1ccccc1 40009886 OTASINLNZWXCMH-KRWDZBQOSA-N 311.381 3.338 0 40 DGAB CCOC(=O)c1scc(Br)c1Br 85395389 ODJKXIATVIARHB-UHFFFAOYSA-N 313.998 3.450 0 40 DGAB O=C(CCc1ccc(Cl)cc1)NCCCN1CCCCC1 225305491 SXAVQINROQSITE-UHFFFAOYSA-N 308.853 3.265 0 40 DGAB O=C(Nc1ccn2nccc2c1)c1cc(-c2cccs2)on1 225595849 WTEGTAYUQILXTO-UHFFFAOYSA-N 310.338 3.303 0 40 DGAB CC(C)(C)OC(=O)NCc1noc(-c2cccc(F)c2F)n1 225508908 KWAHHGZVXICUBF-UHFFFAOYSA-N 311.288 3.040 0 40 DGAB Cc1cc(NC(=O)c2cccnc2)cc(Br)c1O 226243436 QVKDTFDVLPIBNQ-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB COc1cccc(C(=O)NCCSC2CCCCC2)c1OC 225043536 TZLMYKCGWMOHJZ-UHFFFAOYSA-N 323.458 3.500 0 40 DGAB Nc1cnccc1C(=O)c1cccc(OCc2ccccc2)c1 199711778 YIAJKBDHKQRNSS-UHFFFAOYSA-N 304.349 3.474 0 40 DGAB COc1cccc(C(=O)NCCOc2ccc(C)c(Cl)c2)c1 224117880 GNIYGHKCQSLREI-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB O=S(=O)(Nc1ccc(-c2ccccc2)nn1)c1cccs1 191033134 DHFRYQQTOSYJDF-UHFFFAOYSA-N 317.395 3.006 0 40 DGAB Cn1c(SCc2cc(=O)c(O)co2)nc2cc(Cl)ccc21 96411905 OQNYZEFPFNYFBE-UHFFFAOYSA-N 322.773 3.178 0 40 DGAB Cc1ccc(-c2c(C)sc3nc(CCC(=O)O)nn23)cc1 95095799 DVSDODZXTNIDCP-UHFFFAOYSA-N 301.371 3.092 0 40 DGAB CC1(C)C[C@H](NCc2nc(-c3cccs3)no2)C(C)(C)O1 97100420 JQUTWDUJQLKRPP-NSHDSACASA-N 307.419 3.234 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)c1ccncc1Cl 96443691 DALMITNRLNPDLE-NOZJJQNGSA-N 308.715 3.299 0 40 DGAB CNC(=O)c1ccc(-c2cc(C(F)(F)F)cc(N(C)C)n2)cc1 91695106 MMHSLXQXUISMFG-UHFFFAOYSA-N 323.318 3.193 0 40 DGAB COc1ccnc(CNC2(c3noc(C)n3)CCCCCC2)c1 97371911 IBKPSCHUOAHQPC-UHFFFAOYSA-N 316.405 3.121 0 40 DGAB CCN(Cc1cccc(-c2ccncc2)c1)C(=O)c1cn[nH]c1C 96423940 IIMYWUNJUMDEJL-UHFFFAOYSA-N 320.396 3.442 0 40 DGAB O=S(=O)(Nc1cc(F)cc(F)c1F)c1cc(F)cc(F)c1 95068005 CBSILAGVNYWRLS-UHFFFAOYSA-N 323.242 3.183 0 40 DGAB Fc1cccnc1CN1Cc2nccn2C[C@H]1c1ccccc1 257333424 YBLYIFVDRGAGKX-KRWDZBQOSA-N 308.360 3.174 0 40 DGAB O=C(c1cccnc1)N1CCCC[C@H]1c1ncn2ccsc12 585178917 OOHJSIBZAKWZMA-ZDUSSCGKSA-N 312.398 3.158 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)NCC[C@@]1(C)C[C@]1(F)Cl 685938995 WOFNMSURSFZCLT-AEGPPILISA-N 320.836 3.148 0 40 DGAB Cc1cc(CN(C)C(=O)Nc2ccc(N(C)C)cc2C)no1 58551545 BYMQTCLHGPNRMN-UHFFFAOYSA-N 302.378 3.021 0 40 DGAB COC[C@H](NC(=O)N[C@@H](C)c1nc(C)cs1)c1ccc(C)o1 76094145 QRXHEJLYPFFUJP-RYUDHWBXSA-N 323.418 3.101 0 40 DGAB O=C(NCC[C@@H](O)c1ccco1)C12CC3CC(CC(C3)C1)C2 77110988 XEJQSOIIXZRGNS-GNFNDJEDSA-N 303.402 3.036 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1cc(Br)ccc1Cl 1083806349 LHXQBGDHULMXHE-ZANVPECISA-N 318.642 3.006 0 40 DGAB CC(=O)Nc1nc([C@@H]2CCCCN2Cc2cscn2)cs1 1615189389 LBXOIPRZLIPHJF-ZDUSSCGKSA-N 322.459 3.285 0 40 DGAB O=C1[C@@H]2Cc3ccccc3CN2C(=O)N1c1ccccc1Cl 5396210 HPIRZTRSPXKJKQ-HNNXBMFYSA-N 312.756 3.234 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc(C(=O)O)ccc2Cl)c1 13167776 MXQBRWUJVHYCEU-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1nn(C)cc1CN(Cc1cccnc1)Cc1cccs1 13569736 UZAPLYYDSIVMCP-UHFFFAOYSA-N 312.442 3.387 0 40 DGAB CC(C)NC(=O)NC1CCC2(CC1)CC(=O)c1ccccc1O2 19449941 UVKBMAGINHJFFW-UHFFFAOYSA-N 316.401 3.041 0 40 DGAB CCCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1 2090437 AEPPTRQSNRNDPG-OAHLLOKOSA-N 307.390 3.095 0 40 DGAB biogenic C[C@H](Oc1ccccc1F)C(=O)NC1CCC(F)(F)CC1 341528365 LPGLNBOSZBHFEF-JTQLQIEISA-N 301.308 3.287 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)N1CCOCC1 68037 PKVYYSCXPFRQGW-UHFFFAOYSA-N 312.369 3.130 0 40 DGAB Cc1cnccc1OCC1CCN(c2ccnc(C3CC3)n2)CC1 1889101137 YYDBKSWEBWJMIJ-UHFFFAOYSA-N 324.428 3.353 0 40 DGAB Cc1oc(C)c(C(=O)O[C@@H](C)C(=O)NCC2CCCCC2)c1C 31689913 UTKUQQWWQQPFIA-AWEZNQCLSA-N 321.417 3.447 0 40 DGAB Cc1cccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4851996 MXLDOGXVDAONAJ-UHFFFAOYSA-N 308.337 3.021 0 40 DGAB CCN(CC)[C@@H](C)C(=O)NCC1(c2ccccc2)CCCC1 5591636 JIBDQUYVHSTHGS-INIZCTEOSA-N 302.462 3.345 0 40 DGAB Cn1cccc1[C@H](O)CCNC(=O)c1cc2ccccc2s1 225592764 PFOJUDSMUUKSCR-CQSZACIVSA-N 314.410 3.093 0 40 DGAB CC[C@@]1(C)Cc2ccccc2-c2nc3nnc(S)n3c(O)c21 102910504 MQPXLMOBBCTTHV-INIZCTEOSA-N 312.398 3.009 0 40 DGAB O=S(=O)(Cc1ccccc1)NCC1(c2ccccc2)CCC1 40024860 CSIIMNPINLBUOP-UHFFFAOYSA-N 315.438 3.228 0 40 DGAB CCc1nc(NC(=O)CCc2ccc3c(c2)OCO3)sc1C 40119007 PZAWRJWCIGQNSI-UHFFFAOYSA-N 318.398 3.314 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NCc1cccnc1 40119860 VLVRJVLGYFVTNG-HNNXBMFYSA-N 313.401 3.496 0 40 DGAB Cc1noc(C)c1CN1CCN(c2cccc(Cl)c2)CC1 40161483 UGTFYAPAJINPRE-UHFFFAOYSA-N 305.809 3.267 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@H]2C(=O)Nc3ccccc32)CC1 100130720 NMTIYHCGPJFXTJ-OAHLLOKOSA-N 316.401 3.369 0 40 DGAB Cc1nc(Nc2nc3ccccc3[nH]2)nc(-c2ccccc2O)n1 40488321 XHRGIRCGLSMHEM-UHFFFAOYSA-N 318.340 3.173 0 40 DGAB COc1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)c(OC)c1 32736283 OQTCWUYAAZFDNU-UHFFFAOYSA-N 324.380 3.457 0 40 DGAB COCc1nc(CN2CCC[C@@H]2c2noc(C(C)C)n2)cs1 76047214 YALMVJVVDWSXOB-GFCCVEGCSA-N 322.434 3.133 0 40 DGAB CC(=O)c1csc(NC(=O)Cc2ccc3c(c2)CCCC3)n1 52770353 KJPSNUFDKPGXJV-UHFFFAOYSA-N 314.410 3.406 0 40 DGAB CC[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccccc1 4651101 NXKDKEVNETWTOP-JKJDWNRSSA-N 301.386 3.001 0 40 DGAB Oc1cc(COc2ccccn2)nc2c(-c3ccccc3)cnn12 100732976 YBUAKPOEDBYBQH-UHFFFAOYSA-N 318.336 3.076 0 40 DGAB CCn1cnn(CN(C)Cc2nc3ccccc3s2)c1=S 23851468 JJBOXPGYAPWLFQ-UHFFFAOYSA-N 319.459 3.133 0 40 DGAB COc1ncccc1NC(=O)N(Cc1ccc(C)o1)C1CC1 47548853 OHDUYGKKHOBEMD-UHFFFAOYSA-N 301.346 3.188 0 40 DGAB CCCC(=O)N1CCC[C@@H]1C(=O)N[C@H](C)c1cc(C)sc1C 55285387 XPAVKIFVCKKVKB-IUODEOHRSA-N 322.474 3.333 0 40 DGAB Cc1nn(-c2ccccc2)cc1CNc1nnc(C(C)(C)C)o1 97114462 ZGJDIQOIZYSXPP-UHFFFAOYSA-N 311.389 3.473 0 40 DGAB Cc1nn(C(C)(C)C)cc1[C@H](C)NC(=O)NCc1ccco1 97146864 HXPMYGCNSLALCP-NSHDSACASA-N 304.394 3.100 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccc(Cl)c(Cl)c1 1507537 FVDAKQRQAZDZMI-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB COc1ccc(OC)c(CN(C(=O)c2ccoc2)C2CC2)c1 25808373 YARWKSXZSRAUMN-UHFFFAOYSA-N 301.342 3.102 0 40 DGAB C[C@@]12C(=O)[C@@]34CCC[C@H]3[C@@H]1[C@H]1[C@@H]3[C@@H]2[C@@]25CCC[C@@H]2[C@@H]3[C@@](C)(C5=O)[C@@H]14 101139774 GCPRYOQVJZFWGP-SBAFVYFQSA-N 322.448 3.489 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 3298642 VKZGOAJFKGUUAQ-GFCCVEGCSA-N 312.369 3.337 0 40 DGAB Cc1cccnc1NC(=O)c1ccc(OC[C@H]2CCCO2)cc1 27649840 YULJLVFBFNUGHM-MRXNPFEDSA-N 312.369 3.200 0 40 DGAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)[C@@H]1CCCO1 10396174 WCPSTISHLCYRTJ-LBPRGKRZSA-N 307.733 3.217 0 40 DGAB COC(=O)c1ccc(NC(=O)COc2ccc(C)cc2)c(C)c1 29700605 GCRVWBGAFCQAFR-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC(C)CCN(CC(=O)Nc1cc(C(C)(C)C)no1)C1CC1 36391944 BSCRELCXIFNDGC-UHFFFAOYSA-N 307.438 3.421 0 40 DGAB COCCn1c(-c2cccs2)nc2nc3ccccc3nc21 2333024 CBSFJZXFUWGLQP-UHFFFAOYSA-N 310.382 3.354 0 40 DGAB CC(=O)Nc1cc(NC(=O)c2ccc(C)c(F)c2)ccc1F 12765010 CKRLAGXPAKJDHD-UHFFFAOYSA-N 304.296 3.484 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)c2cnn(C(C)C)c2n1 29509983 FFXUQQCUZWSHJR-GFCCVEGCSA-N 300.406 3.193 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)OC(=O)c1ccccc1O 8752520 CVQDROJQIJSMQL-CYBMUJFWSA-N 313.353 3.193 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2cnn(-c3ccccc3)c2)c1 69531727 CJQDCANRCSOHSR-HOTGVXAUSA-N 309.417 3.117 0 40 DGAB O=C(CCc1nc(-c2ccc(Cl)cc2)no1)N1CCCCC1 4384119 OZNVJRDABQXENB-UHFFFAOYSA-N 319.792 3.335 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 65522974 LTNGWQWETGHONB-LBPRGKRZSA-N 324.384 3.278 0 40 DGAB O=C(CCN1CC[C@@H](c2ccccc2)C1)NCCc1ccccc1 69922761 HGJGWKGPQDOIRH-HXUWFJFHSA-N 322.452 3.225 0 40 DGAB CCOC(=O)c1ccc(NC(=O)CCc2cccs2)cc1 4540153 DYRKPPYDRZGGHR-UHFFFAOYSA-N 303.383 3.496 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc(C)ccc2C)C1 6595070 MHSRZYZZYFKQMD-AWEZNQCLSA-N 304.390 3.110 0 40 DGAB O=C(OCC(=O)c1ccc[nH]1)c1csc(-c2cccs2)n1 19262798 WLAZEACXSIECNC-UHFFFAOYSA-N 318.379 3.239 0 40 DGAB Cn1ccs/c1=N\C(=O)/C=C/c1ccc(C(F)(F)F)cc1 7780366 BTUSKSGGIOVVPA-CQHKIPSESA-N 312.316 3.246 0 40 DGAB CSc1cccc(NC(=O)CN2CCc3ccccc3C2)c1 7782866 VIWXYTBCJFEPPS-UHFFFAOYSA-N 312.438 3.405 0 40 DGAB C[C@H](NCC1(C2CC2)CC1)c1ccc(N2CCOC2=O)cc1 90772783 QQGJJQYKUNFXEX-ZDUSSCGKSA-N 300.402 3.484 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)/C=C/c1cn(Cc2ccccc2)nn1 7957254 ULYZGDSKYVHTRM-GNDWGAAVSA-N 324.428 3.035 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2sccc2C2CC2)c1 70015520 FOACGPVEAOKVAD-CQSZACIVSA-N 315.442 3.435 0 40 DGAB Cc1cnc(COc2nc(-c3ccccc3Cl)no2)cn1 69367992 JDAPYLMXFCAFST-UHFFFAOYSA-N 302.721 3.067 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)Nc2cccc(-n3cnnc3)c2)s1 69416902 BIWVYXACUJAVNY-CABCVRRESA-N 324.409 3.379 0 40 DGAB Cc1nc(C)c(-c2nnc(SC[C@@H]3CCCN(C)C3)o2)s1 69484280 CDBWXZFCWCBVER-LLVKDONJSA-N 324.475 3.244 0 40 DGAB CSC[C@H](C)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C 96413407 OQTIDGBJWYGJBA-ZDUSSCGKSA-N 318.446 3.396 0 40 DGAB COc1cccc(N2CC[C@@H](CNCc3cccc(O)c3)C2)c1 71924609 GGZYDYWMPZIJOR-INIZCTEOSA-N 312.413 3.017 0 40 DGAB O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@@H]1c1cccnc1 84501751 DGZZUNPOYQTHEH-VXGBXAGGSA-N 321.302 3.347 0 40 DGAB CN(C(=O)c1cccc(NCc2cc[nH]n2)c1)c1ccccc1 97050863 XIXBLKLDMJYUGK-UHFFFAOYSA-N 306.369 3.298 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C(C)(C)C)no1 72299748 RHLXREACPNOSPB-YPMHNXCESA-N 317.437 3.312 0 40 DGAB CCc1ocnc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 72298920 QBLVYHCQOQWMDS-LLVKDONJSA-N 305.403 3.022 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)sc1C 72297506 WCDXDZNKDHVBEF-KGLIPLIRSA-N 308.447 3.035 0 40 DGAB O=C(NCc1ccccc1)c1ccc(Br)c(O)c1 95432801 MRXBNBATBQEAGL-UHFFFAOYSA-N 306.159 3.085 0 40 DGAB C[C@@H]1OCC[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1 95449901 RYSIOUXTBIQNHJ-DZGCQCFKSA-N 305.443 3.385 0 40 DGAB COC[C@@H](C)NC(=O)/C=C(\C)c1cccc(C(F)(F)F)c1 98056097 UQCHIVNTXUOIHG-PFEDMVJOSA-N 301.308 3.260 0 40 DGAB O=C(Cc1ccon1)N[C@@H](c1ccccc1F)C1CCCC1 88251042 XJJVWNQVJNOVCX-QGZVFWFLSA-N 302.349 3.404 0 40 DGAB CCc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2cccs2)o1 95989355 FRPJPKOTZWJRKK-NSHDSACASA-N 307.371 3.158 0 40 DGAB O=c1cc(CSc2ncc(-c3ccccc3)o2)occ1O 95960416 SKEUWJHSQQFVAA-UHFFFAOYSA-N 301.323 3.293 0 40 DGAB Cc1cccc2c(NCCc3cccc(C(N)=O)c3)ccnc12 95967539 KJAPFWSUESDGTD-UHFFFAOYSA-N 305.381 3.297 0 40 DGAB CCc1ccc(CNC(=O)C(=O)Nc2c(C)cc(C)cc2C)cc1 408709874 YQQOKKBUGQUYHH-UHFFFAOYSA-N 324.424 3.429 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2nc3ccccc3s2)n1 32611572 FUJJNFVPXCTSOI-UHFFFAOYSA-N 306.778 3.418 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cn(C)c2ccccc2c1=O 408713235 PBFNPRBFNQBKDB-UHFFFAOYSA-N 322.364 3.108 0 40 DGAB C[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)N(C)C)C[C@H](C)C1 502674000 ZRVOBKVZLNRMFJ-FMKPAKJESA-N 323.506 3.428 0 40 DGAB c1ccc(-n2cc(-c3cccc(CNCC4CC4)c3)cn2)nc1 530252007 WHWXQQIOWUHCHB-UHFFFAOYSA-N 304.397 3.434 0 40 DGAB C[C@@H](NC[C@]1(CCO)CCOC1)c1cc2ccccc2s1 188154788 AZANZNGVCDSIAA-DYVFJYSZSA-N 305.443 3.341 0 40 DGAB Cc1cc(C)c2c(n1)nn1c(NCc3ccco3)cc(C)nc21 72342152 YCPWXJXSQLDIIB-UHFFFAOYSA-N 307.357 3.408 0 40 DGAB CCOC(=O)[C@@H](CN)[C@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216351787 OCKDPBVSIVVMTJ-QGWWYQLQSA-N 324.509 3.051 0 40 DGAB CC(C)c1nnc2sc(/C=C/c3ccc4c(c3)OCO4)nn12 32103971 LHXMDGVCRUMIIN-GQCTYLIASA-N 314.370 3.208 0 40 DGAB CCCCNC(=O)N1CCC[C@H](c2nc(CCCC)no2)C1 41122498 KKWIFYPQDXHUTO-ZDUSSCGKSA-N 308.426 3.101 0 40 DGAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1cccc2ncccc12 73622737 JLRUZDYEEDMKOW-ZDUSSCGKSA-N 321.380 3.166 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=S)Nc1ccncc1 225451947 ARJWRMFTYXEGAD-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1cccc(C)n1 225584938 XTUHISWVWYXPGB-HNNXBMFYSA-N 320.506 3.331 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC)OCC)cc1 225651372 ZQUOUBBVALYJJM-QGZVFWFLSA-N 309.406 3.246 0 40 DGAB CCC[C@]1(CO)CCN(Cc2cccc(C(=O)O)c2Cl)C1 569593402 ZIKBWSSRPBBVMQ-INIZCTEOSA-N 311.809 3.023 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)c1ccc(Br)c(N)c1 40295124 CDDNHFDZXPLMLD-AOOOYVTPSA-N 311.223 3.434 0 40 DGAB CCCCc1noc([C@H]2CCCN(C(=O)c3ccc(C)o3)C2)n1 41123644 WZZUQAUVVSFMMT-ZDUSSCGKSA-N 317.389 3.333 0 40 DGAB C[C@H](CNC(=O)CCc1cccnc1)Oc1cccc(Cl)c1 96426058 KJCKXWYUGIWUSC-CYBMUJFWSA-N 318.804 3.251 0 40 DGAB CC(C)Oc1ccccc1[C@H](C)NCc1nc(C2CC2)nn1C 577726089 LZHCDOQWKUHXMP-ZDUSSCGKSA-N 314.433 3.331 0 40 DGAB O=C(NCCc1cccnc1)N[C@H]1C[C@@H]1c1cccc(Cl)c1 96419859 DQDIIWMBOQYMNV-CVEARBPZSA-N 315.804 3.133 0 40 DGAB C[C@@H]1Oc2ccccc2[C@H]1NC(=O)c1cnc(O)c2ccccc12 583666356 UUBRHKFNAVFXIW-GTNSWQLSSA-N 320.348 3.192 0 40 DGAB Cc1cccc(NC2CCN([C@H](C(N)=O)c3ccccc3)CC2)c1 96421203 NPEAOEQWHUEBAI-IBGZPJMESA-N 323.440 3.098 0 40 DGAB CC(C)(C)c1csc(CN2C(=O)CC3(CCCC3)C2=O)n1 96461769 BCCJYHWJLSYNHS-UHFFFAOYSA-N 306.431 3.260 0 40 DGAB O[C@H](c1cccc(Br)c1)c1ccc2c(c1)OCO2 95730230 FMOHSDVYYREUEI-CQSZACIVSA-N 307.143 3.260 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccoc2C)C[C@@H]1Cc1ccccc1 96110477 QLVWEQDZRCFUMK-WMZOPIPTSA-N 313.397 3.308 0 40 DGAB CC(C)(C)n1ccnc1SCC(=O)Nc1ccc(O)cc1F 97098005 VBJVUYZUEBMKQS-UHFFFAOYSA-N 323.393 3.214 0 40 DGAB Cn1cccc1CN1CCC2(CC1)CC(Oc1cccnc1)C2 96159344 IERXJCQMDFOSGJ-UHFFFAOYSA-N 311.429 3.244 0 40 DGAB CO[C@@](C)(C(=O)NCc1ccnc(Cl)c1)c1ccccc1F 585088286 SRPJAQGMADSTCP-MRXNPFEDSA-N 322.767 3.052 0 40 DGAB Cc1ncc(CN(C)C)c([C@H]2CCCN2CCc2ccccc2)n1 257318831 VPOKEPYVDPTRGA-LJQANCHMSA-N 324.472 3.226 0 40 DGAB CO[C@H]1CN(Cc2ccc3ncccc3c2)CC[C@@]12CCCO2 257224613 FCODWWYUNUYQLB-OALUTQOASA-N 312.413 3.005 0 40 DGAB CC(C)[C@@H](C)NC(=O)C1CCN(CCSC(C)(C)C)CC1 252508227 XHJCPZZQKOINJR-CQSZACIVSA-N 314.539 3.391 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)s1 257251622 JRMBGJTZUZERNA-LBPRGKRZSA-N 305.403 3.076 0 40 DGAB Cc1nc(CC(=O)N2CCC(C)(c3nccs3)CC2)cs1 257253554 JZJJYHCKYVMERM-UHFFFAOYSA-N 321.471 3.031 0 40 DGAB Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccc(O)cc3)C2)cc1 252487895 IDLUPYWGNQWNRI-MRXNPFEDSA-N 311.410 3.095 0 40 DGAB COc1c(I)ccc2c1C=CC(C)(C)O2 575410890 JZGGFVMPUVLBSB-UHFFFAOYSA-N 316.138 3.484 0 40 DGAB Cc1cc(CN2CCN([C@H](C)c3cccc(F)c3)CC2)on1 56490085 SLZCFUJWXPGQLX-CQSZACIVSA-N 303.381 3.001 0 40 DGAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 53029170 OCJOADWKJBTJEF-MSOLQXFVSA-N 321.380 3.263 0 40 DGAB CC[C@H](NC(=O)/C=C/c1ccc(OC(F)F)cc1)c1ncc[nH]1 97095787 SWOOFGOXHHZVRT-LJLILKBBSA-N 321.327 3.292 0 40 DGAB O=[S@](C/C=C\C[S@](=O)c1ccccc1)c1ccccc1 5217872 KXEPGWAOCGYHMU-JSXPQOMVSA-N 304.436 3.158 0 40 DGAB CCOc1ccc(NC(=O)COc2cccc(C)c2C)c(N)c1 226358918 DFNFXAXDTCFTFR-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB CN1CCCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 4748090 DSBXDTHCGUJUEG-UHFFFAOYSA-N 318.424 3.439 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CCOCC(C)C 31747166 DVXJKRNKRQICDQ-CQSZACIVSA-N 320.433 3.216 0 40 DGAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 70172432 XNKISXBVEYUJOE-NXEZZACHSA-N 301.217 3.193 0 40 DGAB Cc1cnc(C)c(OC2CCN(c3ccc(Cl)cn3)CC2)n1 2087124876 SPWDKPVBURIIKF-UHFFFAOYSA-N 318.808 3.190 0 40 DGAB COc1cc2c(cc1OC)C(=Cc1ccccc1F)C(=O)OC2 2445203 QFIRRRHZQPHXLB-UHFFFAOYSA-N 314.312 3.440 0 40 DGAB CO[C@H](CCSC)CNC(=O)Cc1cccc2ccccc12 1775967878 FLFDNFXBZWOVNW-MRXNPFEDSA-N 317.454 3.267 0 40 DGAB O=C1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1 74374701 BPHWPBLDPFUHGO-UHFFFAOYSA-N 309.365 3.071 0 40 DGAB Cc1nn(-c2ccccn2)cc1/N=c1/[nH]cc(Cl)cc1Cl 18087215 FCVZLQNVRKJQTD-UHFFFAOYSA-N 320.183 3.443 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)c(F)c2)cc1 40097574 HNQGNCUBLZXOGS-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Cl)cc1 102074702 AZBXIVTWOALLAH-MBIARJLFSA-N 317.772 3.047 0 40 DGAB COc1ccccc1-n1c(C)nc2sc3c(c2c1=O)CCC3 61469 XZPLWCVLHOTNGL-UHFFFAOYSA-N 312.394 3.253 0 40 DGAB COc1ccc(CN(Cc2nnc(C(C)C)o2)C2CC2)cc1 60371450 UFUZIDJSQZNIEZ-UHFFFAOYSA-N 301.390 3.366 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)no1 76043593 SMMVVFJPDXPZJG-HOTGVXAUSA-N 311.385 3.162 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nc2ccccc2[nH]1 32913929 OPWSJMKIXRSZEJ-UHFFFAOYSA-N 318.336 3.174 0 40 DGAB CC(C)(C)N(Cc1ccccc1)Cc1nnnn1-c1ccccc1 79065324 ONQDYLLDENYLCO-UHFFFAOYSA-N 321.428 3.463 0 40 DGAB CCc1nnc(SCc2ncc(-c3ccccc3)o2)n1C 41359726 FILGCFMOWJOAFV-UHFFFAOYSA-N 300.387 3.325 0 40 DGAB CC(C)OC(=O)C[C@H](NC(=O)C(C)C)c1ccccc1Cl 21972080 FQGAKKTXKPQMSK-AWEZNQCLSA-N 311.809 3.495 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccc(O)c1 6747810 RXOICCUKPJBOAZ-QGZVFWFLSA-N 323.327 3.096 0 40 DGAB C/C(=C\C(=O)NCc1nc(C2CC2)no1)c1ccccc1Cl 103864567 UCAMUAYLJWJCHG-CSKARUKUSA-N 317.776 3.320 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2ccccc2C)cc1 22976824 YEYPFLRVDXGLSL-AWEZNQCLSA-N 310.397 3.373 0 40 DGAB CC(C)N1C[C@@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 813686 HJUUZQWRVOBGRJ-VIFPVBQESA-N 315.200 3.189 0 40 DGAB CN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 42638927 DGAXONUNDAJZRF-SFHVURJKSA-N 318.376 3.288 0 40 DGAB CCOC(=O)c1nn(-c2cccc(Cl)c2)c(C)c1C(C)=O 1020767 PCCJCSKVNCEZKT-UHFFFAOYSA-N 306.749 3.213 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccoc1 24563410 NGNHWSBZHPFETQ-KRWDZBQOSA-N 321.380 3.332 0 40 DGAB CCc1nc2cc(NC(=O)CC(C)(C)CC(=O)O)ccc2o1 55150512 FDMHQURXIAHADJ-UHFFFAOYSA-N 304.346 3.220 0 40 DGAB CNC(=O)c1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 106130743 QRQIGQPNGHMQRW-JBLDHEPKSA-N 306.793 3.074 0 40 DGAB Cc1csc(NC(=O)CN2CCC[C@@H]2c2cccc(F)c2)n1 58166853 ITQNGQCJFVTNNG-CQSZACIVSA-N 319.405 3.366 0 40 DGAB O=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)[nH]n1 24962697 ABBXQLBDEUMDEG-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@@H]1c1c(F)cccc1F 25309508 KBWHZRJJUKYMRB-INIZCTEOSA-N 318.323 3.178 0 40 DGAB C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)[C@@H]1CCCO1 26402248 PAAGKKAFQPIHJG-QAPCUYQASA-N 316.445 3.218 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2c2cccs2)nc2ccsc12 35421774 DWDLPLCUELHZNM-LLVKDONJSA-N 317.439 3.383 0 40 DGAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@@H](C)C1 47987851 WTOUGZCJWSYTMN-GFCCVEGCSA-N 315.417 3.151 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 1945776 YQNNHXCFGZWNRT-RMKNXTFCSA-N 316.382 3.315 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nccn1Cc1ccccc1 58160196 UVCIQKDOEOZVQY-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB Cc1nc(SCc2noc(-c3ccccc3O)n2)oc1C 58224623 ODMNXKFAKYQEEE-UHFFFAOYSA-N 303.343 3.339 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCC(C)CC1 59843311 RZQNAYKHZOSUHO-UHFFFAOYSA-N 318.808 3.101 0 40 DGAB O=C(CSC[C@H]1CCCCO1)Nc1cccc(Cl)c1O 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O=c1cc(CNc2cccc3c2CCCC3)nc2sccn12 15293814 CDVVTYIULTXYFA-UHFFFAOYSA-N 311.410 3.247 0 40 DGAB Cc1ccccc1NC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F 408720392 MVMFVOWGTOZNFV-LBPRGKRZSA-N 316.323 3.027 0 40 DGAB Cc1ccc2nc(CN[C@H]3CCCc4ccccc43)cc(=O)n2c1 7985960 VWDYYTRAAARZOM-SFHVURJKSA-N 319.408 3.170 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cc2c(F)cccc2[nH]1 69489684 AYOGBIUIMSCALS-IRXDYDNUSA-N 315.392 3.006 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2nc(-c3ccsc3)no2)c1 69528924 KFPLDXOTLKRXCA-RYUDHWBXSA-N 317.418 3.042 0 40 DGAB COc1ccc(-n2cc(-c3ccccc3)c3c(=O)[nH]cnc32)cc1 8684005 VAOBJTRTUSWVKW-UHFFFAOYSA-N 317.348 3.389 0 40 DGAB in-vitro Cc1csc([C@@H](C)NC(=O)N2CCS[C@H](C(C)C)C2)n1 96439750 DVTSJENEBPXPRW-NEPJUHHUSA-N 313.492 3.296 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(C)n1C1CC1 72234483 VVSLNTGGXIAZKE-ZWKOTPCHSA-N 315.461 3.139 0 40 DGAB CN(Cc1ccon1)C1CCN(c2ccc(Cl)cc2)CC1 72801825 YOPUEFGPMFDVCR-UHFFFAOYSA-N 305.809 3.429 0 40 DGAB O=S(=O)(Nc1ccccc1F)c1ccccc1-c1ccno1 95468043 CKHPLDMMFZLJKJ-UHFFFAOYSA-N 318.329 3.282 0 40 DGAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccc2[nH]c(=S)oc2c1 73937583 GSSUGLUMUQSOSM-BIMULSAOSA-N 318.398 3.034 0 40 DGAB O=C(NCCc1ccncc1)Nc1cc(-n2cccc2)ccc1F 89878823 YCMTZAOOCGUNCE-UHFFFAOYSA-N 324.359 3.376 0 40 DGAB CSC[C@@H](C)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C 89870374 KYMKPQSAKPGNIC-SNVBAGLBSA-N 303.431 3.388 0 40 DGAB CC[C@H](NC(=O)c1cccc2nccn12)c1ccc(OC)cc1 89947824 FFYFLOAISFZXSD-HNNXBMFYSA-N 309.369 3.224 0 40 DGAB Cc1nc(NC(=O)c2c(C)noc2C(C)C)nc2c1CCCC2 32859870 QQCFJFQOCQEYTQ-UHFFFAOYSA-N 314.389 3.336 0 40 DGAB CCSc1cccc(CN2CCOC[C@@H]2c2nc(C)no2)c1 188479741 SDNYLCIZJZALTI-OAHLLOKOSA-N 319.430 3.064 0 40 DGAB COc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 36635452 NZYAQDDMJOLCGH-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB Cc1ccccc1C(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 78664702 QTDBTYFPGQLHSJ-HNNXBMFYSA-N 323.314 3.477 0 40 DGAB CCN(C(=O)CNc1ccccc1C(C)=O)C1CCCCC1 48326752 FYQDZKNEANEWJU-UHFFFAOYSA-N 302.418 3.482 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccc(C)n2)cc1 225643621 BRJGUPQBOLNGRV-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2CCCCCC2)c1 44900047 ZADRMMLTSAQSSQ-UHFFFAOYSA-N 302.462 3.228 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)NCC1CCCCC1 224175169 XSZMGMNQSCUIGL-UHFFFAOYSA-N 301.839 3.340 0 40 DGAB COC(=O)CCCC(=O)c1cc(C(F)(F)F)ccc1OC 82726281 FRZOUZNMPORJSM-UHFFFAOYSA-N 304.264 3.240 0 40 DGAB Cc1cccc([C@H](C(=O)O)N2CCN(c3ccccc3)CC2)c1C 91690129 FMVMYSKCLOVPQL-LJQANCHMSA-N 324.424 3.251 0 40 DGAB c1nc(CNC2(c3ccc4c(c3)OCCO4)CCCC2)cs1 96403167 YLDBWOTTZRPZHA-UHFFFAOYSA-N 316.426 3.473 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cccc(OC)c1OC 97629380 HYWUUMDGHYMKKZ-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1ccccc1)CC3 97993519 LAMFLTUUFCDXCP-RAXLEYEMSA-N 318.332 3.039 0 40 DGAB COc1ccc([C@@H]2[C@@H](C(=O)O)CCC(=O)N2CC(C)(C)C)cc1 584906731 XFVGVWSDMFNNSS-GOEBONIOSA-N 319.401 3.106 0 40 DGAB Cc1nc2sccn2c1CN1CCCC[C@H]1c1ccncn1 257222430 DTGUNPNPKRKLCK-AWEZNQCLSA-N 313.430 3.221 0 40 DGAB CC(=O)N1CCC[C@](C)(c2ncc(Cc3cccc(F)c3)o2)C1 257240127 HSDMYHOJPXTKIS-SFHVURJKSA-N 316.376 3.305 0 40 DGAB Cc1cc([C@H]2CCCCN2Cc2cscn2)nc2nccn12 257237010 HEUYGNDPSQAWQH-OAHLLOKOSA-N 313.430 3.221 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)CC2CCCC2)nc(C)n1 257237108 HFEUCINPYLVKCO-HNNXBMFYSA-N 302.422 3.071 0 40 DGAB O=C(COc1ccccc1Cl)N1CCCC[C@H]1c1cc[nH]n1 370564525 XFUJIVFJCVWPRT-AWEZNQCLSA-N 319.792 3.196 0 40 DGAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2Cc1cccc(F)c1F 585108915 DCOWCAYQUAIYAA-HOTGVXAUSA-N 322.399 3.186 0 40 DGAB CC(C)(C)[C@@H]1CN(Cc2ncc(Br)s2)CCO1 390835632 SWYZRZKNBWFXEG-VIFPVBQESA-N 319.268 3.153 0 40 DGAB CCc1c(C)sc(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)c1C(N)=O 5477129 DCHRNKYJQVKAOZ-UMNHJUIQSA-N 306.431 3.093 0 40 DGAB Cc1cc(C)c2cc3c(nc2c1)OC(=O)N(C[C@H]1CCCO1)C3 12222974 KLEVFAFPFRATGO-CQSZACIVSA-N 312.369 3.345 0 40 DGAB Cc1ccc([C@@H](C)C(=O)N2CCC(O)(c3ccccn3)CC2)cc1 12223127 HEAXXLNWSHRTDD-MRXNPFEDSA-N 324.424 3.004 0 40 DGAB Cc1ccccc1OCC(=O)Nc1cc(C(=O)O)ccc1Cl 13167690 YNEDZAGFHVCHPR-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(COc1ccc(Cl)cc1)NCCCN1CCCCCC1 13674621 JFPIUILHYYOYEH-UHFFFAOYSA-N 324.852 3.101 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2F)c(OC)c1 13937078 PVVAXGZJWNPNDA-UHFFFAOYSA-N 320.389 3.330 0 40 DGAB O=S(=O)(NCc1ccc(Cl)cc1Cl)c1ccccc1 13938017 MCZIERAIZCFOFF-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB C[C@H](CCCc1ccccc1)NC(=O)c1cc2c([nH]c1=O)CCC2 19455594 KXFQMUCBDISVAL-CQSZACIVSA-N 324.424 3.005 0 40 DGAB COc1ccc2nccc(C(=O)N3CCc4ccccc4C3)c2c1 1889269646 HHCBNKVFFGBTSR-UHFFFAOYSA-N 318.376 3.442 0 40 DGAB O=C(Nc1ccc(F)cc1)N1CCc2nc3ncccc3cc2C1 1890176810 QLBFLYWRZQWWCM-UHFFFAOYSA-N 322.343 3.359 0 40 DGAB C[C@@H](NC(=O)c1cccnc1)c1ccccc1Br 23526009 CJMRTVGFGYJFKI-SNVBAGLBSA-N 305.175 3.335 0 40 DGAB c1ncc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)CC2)[nH]1 2037838585 PLPZZRNFBFNRQO-AWEZNQCLSA-N 309.417 3.131 0 40 DGAB CC(=O)N1CCCc2ccc(NC(=O)c3cccc(F)c3)cc21 5154240 ILYTYWNTJBTCSJ-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB O=C(NCC[C@H](CCO)c1ccsc1)NCc1ccccc1 575608383 SWNFPHOCIRSMSH-OAHLLOKOSA-N 318.442 3.104 0 40 DGAB C[C@](O)(CNC(=O)Cc1ccccc1Cl)Cc1ccsc1 618257477 XGRAPXFTPWRWJB-MRXNPFEDSA-N 323.845 3.054 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCCCOC1CCCCC1 30502322 FBDFJPLLPLMXBF-NTCAYCPXSA-N 323.458 3.316 0 40 DGAB Clc1cccc([C@@H]2C[C@@H](c3cccnc3)Nc3ncnn32)c1 221869 NVQKFOSOXFPIQV-GJZGRUSLSA-N 311.776 3.473 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 32496803 GMYUEBZYFFJSGU-QWRGUYRKSA-N 323.776 3.263 0 40 DGAB O=C(c1cc(Cn2ccc3ccccc32)[nH]n1)N1C[C@H]2CC[C@H]1C2 102456817 RKACYNFMWVKGGM-BBRMVZONSA-N 320.396 3.037 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)[C@@H]2CC2(Cl)Cl)o1 76067494 OPEAJOOMZDLFMA-VHSXEESVSA-N 320.241 3.398 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N[C@@H](C)[C@H](C)CO 76081727 HBWPPZPHVURCSZ-OCCSQVGLSA-N 308.422 3.058 0 40 DGAB CCN(C)c1cccc(NC(=O)NCC(C)(C)C[C@@H](C)O)c1 76070299 JSIKSBRFYAUNSA-CYBMUJFWSA-N 307.438 3.061 0 40 DGAB CCOC(=O)N[C@H](C(=O)Nc1ccc(SC)cc1)C(C)C 32911716 UVPBVUOQLDYAMO-ZDUSSCGKSA-N 310.419 3.118 0 40 DGAB Cc1ccccc1NS(=O)(=O)C[C@]12CC[C@H](CC1=O)C2(C)C 4148263 BWUWIAPCSTVYSV-CXAGYDPISA-N 321.442 3.132 0 40 DGAB O=C(NCCc1cccs1)c1ccc(Br)o1 21911668 LUDQPBSPWKYREB-UHFFFAOYSA-N 300.177 3.076 0 40 DGAB Cc1ccccc1CSc1nc2c(c(=O)n1C)SCC2 4339297 HKNUHAMIFJKDEW-UHFFFAOYSA-N 304.440 3.029 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N[C@@H]1CCCc2ccccc21 6933586 YWZHSFQYAPVKQZ-QGZVFWFLSA-N 323.392 3.194 0 40 DGAB CC(C)CN(CC(C)C)C(=O)C(=O)N(CC(C)C)CC(C)C 2165399 WQYCBQGBEHIPPY-UHFFFAOYSA-N 312.498 3.268 0 40 DGAB O=C(c1ccccc1)[C@](O)(Cc1ccccn1)c1ccccc1 8581493 ABSVXYFYZVAKMF-FQEVSTJZSA-N 303.361 3.395 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCc2sccc2C1 12558240 OKZMEOZIBHJALV-ZDUSSCGKSA-N 312.438 3.084 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)CCc3ccccc3)ccc21 9827727 JTVCPSIINKSOTA-UHFFFAOYSA-N 308.381 3.167 0 40 DGAB CC(=O)N[C@@H](CC(=O)N(C)C1CCCCCC1)c1cccs1 54724591 PBYZJVLNLWQYGI-HNNXBMFYSA-N 322.474 3.497 0 40 DGAB Cc1cccc(NC(=O)N(C)C[C@@H]2COc3ccccc3O2)c1 24690801 UIAGOYCANFVAPQ-OAHLLOKOSA-N 312.369 3.299 0 40 DGAB COCc1c(C(=O)NOCc2ccccc2)oc2ccccc12 25036231 NBYISGKVUMCWHU-UHFFFAOYSA-N 311.337 3.441 0 40 DGAB COc1ccc([S@](=O)Nc2ccc(Cl)cc2)c(OC)c1 1403770 YISCIIGNNDSGBB-HXUWFJFHSA-N 311.790 3.492 0 40 DGAB COc1ccc(Cl)cc1NC(=S)NC(=O)c1ccccc1 1480401 DAOGSRUHYYZJHT-UHFFFAOYSA-N 320.801 3.475 0 40 DGAB CN(Cc1cccc(C(N)=O)c1)C(=O)NC1CCCCCCC1 56781498 HASSWLKLYHTWRX-UHFFFAOYSA-N 317.433 3.040 0 40 DGAB Cc1occc1C(=O)N1[C@H]2CC[C@H]1CN(Cc1cccs1)C2 107262492 FPOQHIRXDGWMJQ-KBPBESRZSA-N 316.426 3.139 0 40 DGAB C[C@@H]1CN(C(=O)CNc2cc(Cl)ccc2Cl)C[C@@H](C)O1 57525199 FRYLZFCILYDXMQ-NXEZZACHSA-N 317.216 3.041 0 40 DGAB CCCCOC(=O)COc1ccc2c(CCC)cc(=O)oc2c1 1893427 KFKUTLAVHYBYPZ-UHFFFAOYSA-N 318.369 3.468 0 40 DGAB biogenic COc1ccc(C(=O)OCC(=O)Nc2cc(C)ccc2C)cc1 1943760 UNUZPTMQTYCQSU-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=C(NC[C@H]1CCN(c2ccc(Cl)cc2)C1)C1CCCC1 58291902 ANNJKZJFGZJHQU-CYBMUJFWSA-N 306.837 3.473 0 40 DGAB c1ccc(-c2cnc(CN3CCC(c4cc[nH]n4)CC3)o2)cc1 58226012 LBNBDLKWNRWNCK-UHFFFAOYSA-N 308.385 3.444 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)NCc1cc2ccccc2o1 44955827 SLZFUQMZAQECDR-HNNXBMFYSA-N 324.384 3.043 0 40 DGAB CC(C)c1noc([C@H](C)Sc2nnc(NC3CC3)s2)n1 27812003 UGTWSVCMKKKXHY-ZETCQYMHSA-N 311.436 3.472 0 40 DGAB CC(C)C[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 10958935 VMAGCWRRZWMROD-MRXNPFEDSA-N 308.385 3.475 0 40 DGAB CCCCc1nnc2sc(COc3cccc(C)c3)nn12 11278146 FTFSADMKDYQZNW-UHFFFAOYSA-N 302.403 3.416 0 40 DGAB O=C1N[C@H](c2c[nH]nc2-c2ccc(F)cc2)Nc2ccccc21 8778839 ZADNAYZNZPYTFG-MRXNPFEDSA-N 308.316 3.070 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CSc1ncnc2sccc12 3420698 GUOHZJMHEWPUHN-CMPLNLGQSA-N 321.471 3.478 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 46146515 PNEXTRUYVYBKOS-HZPDHXFCSA-N 316.445 3.067 0 40 DGAB c1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccco4)C[C@@H]2C3)cc1 306125080 CGJWHTIQXRFTRA-DLBZAZTESA-N 319.408 3.447 0 40 DGAB CCCCCN1Cc2cc(Br)ccc2OCC1=O 65184411 VSTUTACITWCLSY-UHFFFAOYSA-N 312.207 3.360 0 40 DGAB Cc1ccc(C)c(N[C@H](C(=O)N2CCOCC2)c2ccccc2)c1 39983745 LEIAOPUXQCSUDI-IBGZPJMESA-N 324.424 3.315 0 40 DGAB COc1ccc(Cl)cc1CC(=O)Nc1nc2ccccc2[nH]1 21586514 VWPCNTHXTBWADD-UHFFFAOYSA-N 315.760 3.406 0 40 DGAB C/C=C/c1ccc(OCC(=O)NCCc2ccco2)c(OC)c1 14095502 UZSSYHFQOSLOBG-HWKANZROSA-N 315.369 3.059 0 40 DGAB O=C(CSc1nc2cc(Cl)ccc2[nH]1)NCc1ccco1 6498550 IELBDZBXZQKQOI-UHFFFAOYSA-N 321.789 3.218 0 40 DGAB Cc1ccc(-n2c(C)c(C)c3c(NCCN(C)C)ncnc32)cc1 6661247 OZSMQSHZRFZZNR-UHFFFAOYSA-N 323.444 3.319 0 40 DGAB Cc1ccc(C)c(C[S@](=O)CC(=O)Nc2ccccc2)c1 66293718 IUXKKSOVRFPBOP-OAQYLSRUSA-N 301.411 3.191 0 40 DGAB COc1ccc(NC(=O)CCN2C[C@H](C)C[C@@H](C)C2)c(OC)c1 4744635 SWWAYZZLBLKRTF-ZIAGYGMSSA-N 320.433 3.010 0 40 DGAB Cc1ccccc1N1CCN(c2ncnc3ccccc23)CC1 14904415 MNHQOVKFNCODFM-UHFFFAOYSA-N 304.397 3.265 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)Nc2ccc3c(c2)OCO3)cc1 6910841 NRYCCVZEDSCKOQ-LBPRGKRZSA-N 312.369 3.417 0 40 DGAB CCn1cnc2cc(NC(=O)COc3ccccc3C)ccc21 4941586 NWLZEJCXPPLWMA-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB NC(=O)c1cccc(NC(=O)c2cccc(C(F)(F)F)c2)c1 9314909 UYUGWWLNXPLPIW-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB C[C@H](Sc1nnc(N)s1)c1nnc(-c2cccs2)o1 8186069 LQJSEYJQFBHKFI-YFKPBYRVSA-N 311.417 3.085 0 40 DGAB O=C1COc2ccccc2CN1c1cccc(Br)c1 65184289 NNDWPDAMXWNLOO-UHFFFAOYSA-N 318.170 3.375 0 40 DGAB O=C(Nc1cccc(C(=O)Nc2ccccn2)c1)NC1CCCC1 69584695 VGNAARQZOOVROJ-UHFFFAOYSA-N 324.384 3.398 0 40 DGAB C[C@H]1CCC[C@@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F 69627004 ZBFGWVKMOVARCG-GWCFXTLKSA-N 321.352 3.092 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@H](n2ccnc2)C1 69657330 OZQCBQMGWAQWCI-INIZCTEOSA-N 322.368 3.015 0 40 DGAB O=C(Nc1cccc2cccnc12)N[C@H](CO)c1ccccc1 69739354 UNGGAXXJVAJCDQ-MRXNPFEDSA-N 307.353 3.090 0 40 DGAB O=C(CSC1CCCCC1)Nc1ccc(C(=O)O)c(O)c1 18196586 SPTOCUIHWNLYHE-UHFFFAOYSA-N 309.387 3.095 0 40 DGAB FC(F)(F)Cn1nnnc1SCCOC1CCCCCC1 69951043 CWCBMGXWFDIRHI-UHFFFAOYSA-N 324.372 3.067 0 40 DGAB C[C@H]1CN(C(=O)CCCc2nc3ccccc3o2)CC(C)(C)O1 71831189 LMJJBBJPWKHQKD-ZDUSSCGKSA-N 316.401 3.176 0 40 DGAB O=C(NCc1cc(-c2ccccc2)no1)c1cc(C2CC2)on1 71819326 KXGIFLNMJOZPPE-UHFFFAOYSA-N 309.325 3.137 0 40 DGAB OC1CCN(Cc2ccc(Cl)cc2Br)CC1 71905274 IBKVIFSRPUSHLT-UHFFFAOYSA-N 304.615 3.059 0 40 DGAB COc1cccc([C@@H](OC(=O)c2ccncc2)c2ccncc2)c1 97082771 LCQKNIAYYXEIOB-SFHVURJKSA-N 320.348 3.432 0 40 DGAB Cc1cnc(NC(=O)c2ccc(OCC(=O)C3CC3)cc2)s1 72275068 DKPQPVSIEKRWCY-UHFFFAOYSA-N 316.382 3.062 0 40 DGAB Cc1ccccc1CCCN1CCCN(C2CCOCC2)CC1 84678084 MARJIWYLXXPCBC-UHFFFAOYSA-N 316.489 3.114 0 40 DGAB C[C@@H](NC(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 25594763 MJBHJASTQJFCOC-AMIZOPFISA-N 324.833 3.058 0 40 DGAB COC(=O)Cc1cccc(Oc2ccc(C(F)(F)F)nn2)c1 95981577 ARQXXJUAUOQVRS-UHFFFAOYSA-N 312.247 3.003 0 40 DGAB O=C(N[C@H]1CCC[C@H]1O)c1cc(-c2ccccn2)ccc1Cl 95974553 GHCSPGUAZJTTQT-JKSUJKDBSA-N 316.788 3.045 0 40 DGAB CC[C@H](NC(=O)c1ccc(C(=O)O)s1)c1ncc(C)s1 95969753 SXBSICIWOWEIGJ-QMMMGPOBSA-N 310.400 3.092 0 40 DGAB CCOC1CCN(c2cncc(OCc3ccccc3)n2)CC1 86180660 WYFMKTCTPTYCCD-UHFFFAOYSA-N 313.401 3.061 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 30850310 WJIMKDINYOSOMP-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB CC(C)CCC(=O)N1CCC[C@H](c2n[nH]c(=S)n2C2CC2)C1 78918299 ODCRRLJBPGGRGO-LBPRGKRZSA-N 322.478 3.418 0 40 DGAB CC(C)[C@H](C)NS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 76670631 URVDRLUVIPHJGM-VIFPVBQESA-N 310.246 3.457 0 40 DGAB CC(C)C[C@@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1cccs1 129675039 SJCVCSRLCCIBAM-HUUCEWRRSA-N 323.506 3.428 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(OC(C)C)cc2Cl)cn1 188332236 YQYTVWDFSLGJJX-UHFFFAOYSA-N 305.765 3.478 0 40 DGAB CCCN1CCCC[C@@H]1c1cnc(N2CCOCC2)c(C)c1 72219358 LQRABXXODMBFIZ-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB O=C(NC[C@@H](O)c1cccs1)c1cccc(C(F)(F)F)c1 75155984 WCUZWYWMAVKYGE-LLVKDONJSA-N 315.316 3.230 0 40 DGAB Cc1cccc(NC(=O)CN2CCC(C(F)(F)F)CC2)c1 174191550 STLZNJRXCLCWBU-UHFFFAOYSA-N 300.324 3.208 0 40 DGAB COc1ccc(NC(=O)C(C)(C)Br)c2cccnc12 225880531 DUYYKECDZHWUIS-UHFFFAOYSA-N 323.190 3.355 0 40 DGAB COc1ccc(-c2oncc2C)cc1I 85394995 ABHZSSQKMYVJSQ-UHFFFAOYSA-N 315.110 3.263 0 40 DGAB Cc1cc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)ccc1F 225604727 FOLUBHVKPADETE-QGZVFWFLSA-N 319.401 3.490 0 40 DGAB COc1cccc(OC)c1CCC(=O)Nc1ccc(F)cc1 225995033 KIBQSMVCBSDNDQ-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB COc1ccc(C[C@@H](Oc2ccc(Cl)cc2)C(=O)O)cc1 225101711 IJDIFQJBEZYXPB-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CC(C)Cn1c(Cc2ccncc2)nc2c(Cl)ncnc21 96511233 TYVTWTSBQIFKRQ-UHFFFAOYSA-N 301.781 3.122 0 40 DGAB O=C(NC1(c2cccc(Br)c2)CC1)C1=COCCC1 95400133 MOAHQWNWDVPFJY-UHFFFAOYSA-N 322.202 3.249 0 40 DGAB O=C(CC1CC1)N1C[C@H]2CCC[C@@]2(COCc2ccncc2)C1 96109326 WIPAJRAHEVYFBD-MJGOQNOKSA-N 314.429 3.027 0 40 DGAB Cc1ccc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)s1 96047948 QQXSDPDMBXBJCL-INIZCTEOSA-N 320.502 3.276 0 40 DGAB CN(C(=O)C1CCC(F)(F)CC1)c1nc2ccccc2n1C 97377803 LPNGYYUOCUGZQE-UHFFFAOYSA-N 307.344 3.362 0 40 DGAB Cn1ccc(-c2cc(C(=O)NC3CCCC3)c3ccccn23)n1 96154690 AALQEHZPIGAKOW-UHFFFAOYSA-N 308.385 3.012 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(Cc3c[nH]nc3-c3cccs3)C2)n1 257268302 MLBGQCPNPWDLFH-GFCCVEGCSA-N 313.430 3.159 0 40 DGAB C[C@@H](c1nc2ccccc2n1C(F)F)N1CCn2nccc2C1 585122525 UGWAZPDKVQNEAB-NSHDSACASA-N 317.343 3.205 0 40 DGAB COc1ccc(-c2cc3ccc(-n4ccnn4)cc3oc2=O)cc1 255189111 NTXGKWUORNFEFV-UHFFFAOYSA-N 319.320 3.049 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@H]1c1ccncn1 257327019 WZOBJFIHBHUBOG-IBGZPJMESA-N 321.424 3.262 0 40 DGAB COc1ccc(CCNCc2cn(C(C)C)nc2C)cc1OC 256053912 UDIYCZXSBBWHCG-UHFFFAOYSA-N 317.433 3.122 0 40 DGAB COc1ccccc1[C@H](CNC(=O)CSC1CCCC1)OC 96384496 SXUUSJABDGTDOQ-INIZCTEOSA-N 323.458 3.175 0 40 DGAB CCCN(C)C(=O)c1cc(-c2ccc(Br)cc2)n[nH]1 49494910 PZRYWBFDGPWZBQ-UHFFFAOYSA-N 322.206 3.321 0 40 DGAB Cc1cnn(CC(=O)N[C@@H](c2cccs2)C2CCCC2)c1 55364246 DPLVOYCFMPMNAT-MRXNPFEDSA-N 303.431 3.301 0 40 DGAB Cc1noc([C@H](OC(=O)c2scnc2C)c2ccccc2)n1 79701859 FWLMYGUASREKNJ-GFCCVEGCSA-N 315.354 3.089 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN1C[C@@H](C)C[C@@H](C)C1 13056682 NGPNYDXMOMPKCK-TXEJJXNPSA-N 310.825 3.265 0 40 DGAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2C[C@@H](C)O[C@H](C)C2)c1 13331307 FVGVBHAANRXPMK-UPJWGTAASA-N 311.809 3.052 0 40 DGAB Cc1scc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1C 13331457 PEQKSENKZKFUGC-UHFFFAOYSA-N 318.417 3.466 0 40 DGAB Cc1ccc(CNC(=O)CCc2ccc3c(c2)OCCO3)cc1 14093044 VIQCWMSJOXUYFZ-UHFFFAOYSA-N 311.381 3.015 0 40 DGAB O[C@@H](CN1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 19342951 HWAHNLSMFPSBDJ-INIZCTEOSA-N 321.417 3.464 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(C)c1 19676715 LIIDMXWJIIGZFA-UHFFFAOYSA-N 303.383 3.041 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2nnc3n2CCCC3)s1 162759711 GIEWUXOYBSWEIT-UHFFFAOYSA-N 304.419 3.226 0 40 DGAB CC(C)CS(=O)(=O)N[C@H](C)Cc1csc2ccccc12 821387319 UVOQCUHDDHOZOB-GFCCVEGCSA-N 311.472 3.408 0 40 DGAB Cc1cc(N2CCN(c3cccc(Cl)c3Cl)CC2)ncn1 1888876519 XPTHGBJAUNZQIX-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 15317200 VLFMGDCSPKURTN-RDGKXADDSA-N 315.413 3.268 0 40 DGAB COC(=O)c1cc(-c2c(F)cc(Br)cc2F)on1 260241459 JSBSDUNGUNHLFE-UHFFFAOYSA-N 318.073 3.169 0 40 DGAB NC(=O)CSc1cn(Cc2ccc(F)cc2)c2ccccc12 4060733 NDGGRVNOOOYYCD-UHFFFAOYSA-N 314.385 3.406 0 40 DGAB Cc1ccc(CSC2=NS(=O)(=O)c3ccccc3N2)cc1 6918533 LMBDQNRGSDVYIA-UHFFFAOYSA-N 318.423 3.399 0 40 DGAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc1OC 35857414 FOIXJKJVLPARQZ-QGZVFWFLSA-N 324.380 3.401 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1ccc(Br)o1 575605768 AZMLFDWMZHQBMB-UHFFFAOYSA-N 321.174 3.245 0 40 DGAB Cc1nc(Nc2ccc(F)cc2)cc(C(=O)N2CCCCC2)n1 96182771 ZBUUJJOQNAPVCF-UHFFFAOYSA-N 314.364 3.294 0 40 DGAB OCc1ccccc1NCc1ccc(OC[C@@H]2CCCO2)cc1 96482758 OBWQZFODRACTFJ-SFHVURJKSA-N 313.397 3.349 0 40 DGAB Cc1ccc(C)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1 40525197 LMVMKYZMKRLHPZ-INIZCTEOSA-N 302.349 3.298 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)NC(=O)c2ccccc2)C1 101697079 LEPYXXIYACUCTR-KBXCAEBGSA-N 300.402 3.437 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2ccc(C)c(F)c2)cc1 32736193 BCYGDWRUAPCXHV-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2ccsc2)no1 32768153 QTWJBTBXPRSMMH-AAEUAGOBSA-N 319.430 3.426 0 40 DGAB CCCc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 11870281 WIMZNBQOSSJNBJ-UHFFFAOYSA-N 306.369 3.472 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccc(Cl)cc1 169012 TWIBYCAQBCSMCF-ZDUSSCGKSA-N 318.760 3.302 0 40 DGAB CCCN(Cc1ccc(C)cc1)C(=O)[C@@H](C)NC(=O)C(C)(C)C 37170266 CLKRGWSPTGPUFW-OAHLLOKOSA-N 318.461 3.284 0 40 DGAB CC(C)c1ocnc1Cn1cnc2c(oc3ccccc32)c1=O 92252779 GEAUPIKCHUHWIR-UHFFFAOYSA-N 309.325 3.302 0 40 DGAB CCc1ccc(CN(C)C(=O)c2ccc3nccnc3c2)cc1 32999775 HYKXVUDMUNIAEU-UHFFFAOYSA-N 305.381 3.464 0 40 DGAB CC(=O)c1c(C)nc2ccc(Br)cc2c1C(=O)O 2732188 NYMTZNXTKIERCU-UHFFFAOYSA-N 308.131 3.207 0 40 DGAB Cc1cc(O[C@H]2CCCCC2=O)c2c3c(c(=O)oc2c1)CCC3 407781 GWKHHOBOEMLRNE-HNNXBMFYSA-N 312.365 3.481 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)c3cccc(C)c3)no2)cc1 6301027 WOHQYQGHUMTIPJ-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB COc1ccc(CC(=O)Nc2cc(C)ccc2OC)cc1F 7920254 RBKLYZJHOCZLBG-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@@H]1COc2ccccc2O1 7951474 UTPFXANSRJFLQZ-SFHVURJKSA-N 324.380 3.065 0 40 DGAB C[C@@H](NC(=O)COc1ccc(F)cc1Cl)c1cccnc1 22692821 XFUGCRLDSCGEOT-SNVBAGLBSA-N 308.740 3.130 0 40 DGAB CC1CCC(C)(NC(=O)Nc2cnn(CC(F)F)c2)CC1 72548560 IPYYHNNYQSHWRJ-UHFFFAOYSA-N 300.353 3.239 0 40 DGAB Cc1ccccc1N1CCN(C(=O)c2cc3ccccc3[nH]2)CC1 23797352 ZWYHDNUSVXWGEN-UHFFFAOYSA-N 319.408 3.439 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(F)cc1 23995948 ZZBPMWFESZAYKI-LBPRGKRZSA-N 311.360 3.255 0 40 DGAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccc(F)cc1 24518766 AWFFVOJLQXWTFV-FZKQIMNGSA-N 312.388 3.496 0 40 DGAB Cn1cc(CCC(=O)N[C@H](c2ccccc2)C2CCCC2)cn1 55445118 FKDJKTCMAWMFCS-LJQANCHMSA-N 311.429 3.400 0 40 DGAB CCOC(=O)c1cc(Br)c(O)c(Br)c1 1561688 RLKDCOVOJVJVFI-UHFFFAOYSA-N 323.968 3.094 0 40 DGAB CCN(Cc1ccco1)C(=O)Nc1cccnc1N1CCCC1 48172161 NBRFQHYZPMQGPC-UHFFFAOYSA-N 314.389 3.329 0 40 DGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C(=O)O)c1 3394054 XXPRPKAYBHGUQB-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2c(C)noc2n1 103157440 BCULXEWUHNBOIE-PYJNHQTQSA-N 313.401 3.394 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1cccnc1)N1CCN(C)CC1 19878987 ORIBYXUGQOLVKU-FQEVSTJZSA-N 320.440 3.208 0 40 DGAB O=C(COC(=O)c1c(F)cccc1Cl)Nc1ccccc1 3348614 NBBWJXQELXJPJN-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB CC(=O)Nc1ccc(Cl)cc1NCc1nc(CC(C)C)no1 58181012 OWDQDPVAOJFHIP-UHFFFAOYSA-N 322.796 3.492 0 40 DGAB O=C(NCc1ccc(-n2cnc3ccccc32)cc1)C1CCC1 58432653 QOWDQNIQBOCYNF-UHFFFAOYSA-N 305.381 3.442 0 40 DGAB O=C(NO[C@H]1CCCCO1)c1ccc2[nH]c3c(c2c1)CCCC3 58419512 OEPLGFQKHRLVRM-KRWDZBQOSA-N 314.385 3.235 0 40 DGAB CCN(CC)CCN(CC(C)C)C(=O)c1ccnc(Cl)c1 37991463 RDKTZUPXHACILY-UHFFFAOYSA-N 311.857 3.175 0 40 DGAB O=C(Cn1ccnc1)Nc1ccc(Cl)cc1C(F)(F)F 10809298 ZIFWSUMLOBYARQ-UHFFFAOYSA-N 303.671 3.194 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(C)c(C(F)(F)F)c2)no1 11703910 WQGFADWRRCCTBG-UHFFFAOYSA-N 313.279 3.361 0 40 DGAB CN(CC(C)(C)C)C(=O)c1ccc(OC2CCOCC2)cc1 96425106 KTVXCOGCJITXDG-UHFFFAOYSA-N 305.418 3.363 0 40 DGAB CCn1c(C)c(C(=O)NCc2ccncc2)c2cc(OC)ccc21 65591795 BCLICRRHEMALCN-UHFFFAOYSA-N 323.396 3.303 0 40 DGAB O=S1(=O)NC(c2ccccc2)(c2ccccc2)c2ccccc21 4667899 VAJAMNXSLLWPSL-UHFFFAOYSA-N 321.401 3.270 0 40 DGAB CN(C(=O)COC(=O)Cc1ccccc1Cl)c1ccccc1 72331047 NVAFXQVTKCSXGS-UHFFFAOYSA-N 317.772 3.089 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCO[C@@H](c2ccc(F)c(F)c2)C1 66707362 MSTFUKJETWXEBD-BLLLJJGKSA-N 307.340 3.221 0 40 DGAB CCC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5863095 RFCNCFPDAJVEFA-GFCCVEGCSA-N 319.430 3.442 0 40 DGAB O=C(c1ccc2ccc(Cl)cc2n1)N1CCCC[C@H]1CCO 90164568 ZJXDFCJRWUVDJD-AWEZNQCLSA-N 318.804 3.265 0 40 DGAB O=C(CSc1nnc(C2CC2)o1)N1CCCc2ccccc21 9218917 FYFWPSUWYHQLGA-UHFFFAOYSA-N 315.398 3.019 0 40 DGAB CN(CCOc1ccccc1F)CCc1ccc2c(c1)CCO2 72304846 HHTBDAIYAVIPGG-UHFFFAOYSA-N 315.388 3.314 0 40 DGAB Cc1cccc(-c2[nH]ncc2CN[C@H](C)[C@H](C)n2cccn2)c1 69368412 FZNBUMQHKSPRAQ-CABCVRRESA-N 309.417 3.321 0 40 DGAB Cc1c(NC(=O)c2cc(C3CC3)[nH]n2)cccc1OC(F)F 69491429 BKHGBLVLASPKGG-UHFFFAOYSA-N 307.300 3.449 0 40 DGAB Cc1cccc(NC(=O)c2ncn(-c3ccc(Cl)cc3)n2)c1 17193668 DDLGQBRTPOTBHE-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COc1ccc(F)cc1C(=O)C(=O)N(C)[C@H]1CCCC[C@@H]1C 69535223 BFNALIXLPLDVEY-FZMZJTMJSA-N 307.365 3.054 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCC[C@H]1c1ccc(OC)cc1 69774138 BBLJQTVKDHRRKF-INIZCTEOSA-N 313.401 3.197 0 40 DGAB COc1cccc([C@H](C)CC(=O)N2CC[C@H](CSC)C2)c1 84606171 XBMTZBYNMDDAAW-KGLIPLIRSA-N 307.459 3.400 0 40 DGAB CC(C)c1csc(CCN2C(=O)c3ccccc3C2=O)n1 65090563 ZNTALBCPCSYTBP-UHFFFAOYSA-N 300.383 3.105 0 40 DGAB COc1cccc(C2=CCN(Cc3nnc(C(C)C)o3)CC2)c1 95423249 FWKVPTNLULPNPM-UHFFFAOYSA-N 313.401 3.491 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccccc3OC)OC2=O)cc1C 96935658 JWUIPWAYBCOBFW-RVDMUPIBSA-N 323.348 3.357 0 40 DGAB CC(C)c1ccc(C2(C(=O)N3CC[C@H](N)C3)CCCC2)cc1 97019625 BXDXUORFBNTINO-KRWDZBQOSA-N 300.446 3.181 0 40 DGAB O=C(c1cc(-c2ccncc2)on1)N1CCCc2cccc(O)c21 97048482 NBBMTFMVNSEANA-UHFFFAOYSA-N 321.336 3.035 0 40 DGAB C[C@H](Cn1cncn1)N[C@H](C)c1cc2cc(Cl)ccc2o1 97034476 BCGZDQBKUYFISC-GHMZBOCLSA-N 304.781 3.417 0 40 DGAB CC(C)CCC(=O)N1CC[C@H](NC(=O)OC(C)(C)C)[C@@H](C)C1 72293580 CVDMFXGTANVGML-KBPBESRZSA-N 312.454 3.184 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@H]1CC=CCC1 95421054 FUMMCBXHIJWKCL-CABCVRRESA-N 302.418 3.358 0 40 DGAB C[C@H]1C[C@H]1C(=O)OCc1ccccc1CCOC(=O)[C@H]1C[C@H]1C 95456177 NQUKZRIHZKJEEI-OSRSDYAFSA-N 316.397 3.128 0 40 DGAB CCOc1cccc2cc([C@@H](C)NC[C@]3(O)CCSC3)oc12 95987976 USNLNJRCEHFWJM-SJKOYZFVSA-N 321.442 3.350 0 40 DGAB CC(C)c1cnc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)o1 95984371 HKGXXTQMGHPLON-LBPRGKRZSA-N 322.430 3.052 0 40 DGAB Cc1ccc(CC(=O)Nc2c(Cl)ccc3nsnc23)cn1 95991205 SDABJEHEJOJROJ-UHFFFAOYSA-N 318.789 3.229 0 40 DGAB CCn1ccnc1S[C@@H]1CCCN(Cc2ccccc2)C1=O 89634930 IXONXWHSVXCTNI-OAHLLOKOSA-N 315.442 3.186 0 40 DGAB C[C@@H](CCc1ccco1)NC1CCN(C(=O)c2ccco2)CC1 89895798 BFBUXYWNODLOQX-AWEZNQCLSA-N 316.401 3.088 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)NC[C@@H](C)c1ccccc1 408707532 NYSFJBKKAYYBHB-HZPDHXFCSA-N 318.461 3.239 0 40 DGAB Cc1ccc(OCC(=O)NCCCN(C)c2ccccc2)cc1 69691008 WTMRMLHCCMIAJJ-UHFFFAOYSA-N 312.413 3.017 0 40 DGAB O=C(NCCOc1ccccc1)c1ccc(N2CCCCC2)cc1 173262062 YTPRFJDSGLMORG-UHFFFAOYSA-N 324.424 3.486 0 40 DGAB Cc1ccc2nc([C@H]3CCCN3c3ncnc4c3CCC4)[nH]c2c1 515264710 ASTWYVQPMOPLAF-QGZVFWFLSA-N 319.412 3.492 0 40 DGAB Cc1csc2nc(CN3C[C@H](C)c4ccccc43)cc(=O)n12 76994893 NBKJPPOQCHILPS-NSHDSACASA-N 311.410 3.188 0 40 DGAB CC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3F)n2)C1 72361716 XULYQCIVPAIYBT-ZDUSSCGKSA-N 315.348 3.134 0 40 DGAB COc1ccnc(CSCc2cnn(C)c2C(F)(F)F)c1 127671310 CUUNBEZHZZLDJY-UHFFFAOYSA-N 317.336 3.276 0 40 DGAB COc1cc(-c2nc3cc(C)cc(N)c3o2)cc(OC)c1OC 70461443 LHOWGVYUDDEFNB-UHFFFAOYSA-N 314.341 3.411 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccc(Cl)cc1 72227978 HRHQAAAKUDMQAK-UONOGXRCSA-N 307.180 3.409 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)sc1C 43589714 KMSADMDHWOBUKB-LBPRGKRZSA-N 309.431 3.336 0 40 DGAB COc1ccc(Cl)cc1N(C)S(=O)(=O)c1ccccc1 74685404 HCDRJBWDIDZCSL-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB COCc1cc(C(=O)Nc2ccccc2OC)ccc1OC 224398268 ZMXPFJZKIRERPC-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB COc1ccc(-c2ccc(C(=O)N3CCC[C@@H](C)C3)o2)cc1N 226305038 XLLNIMQJHPGKAY-GFCCVEGCSA-N 314.385 3.410 0 40 DGAB CCCCc1nc2c(N)nc3ccccc3c2n1CCCCN 34579324 IGZKWNHHWYBLOU-UHFFFAOYSA-N 311.433 3.248 0 40 DGAB Cc1nc(CC2CC2)oc1C(=O)Nc1ccccc1-n1ccnc1 530558865 SYGKJFKGKUGTBF-UHFFFAOYSA-N 322.368 3.374 0 40 DGAB Cc1sc(C(=O)O)cc1CN1CC[C@H](c2cccnc2)C1 574763137 KIQBMFDXYACGAD-ZDUSSCGKSA-N 302.399 3.139 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222986708 KBTXDTWBIBXXFP-HOTGVXAUSA-N 314.458 3.193 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)C 225514923 HCRYRPQCYQXVCT-HNNXBMFYSA-N 304.434 3.037 0 40 DGAB COc1cccc([C@H]2C[C@H](N(C)C(=O)c3nc(C)oc3C)C2)c1 575603632 YQHGOHSOTJEJJB-SHTZXODSSA-N 314.385 3.318 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C1 96455146 SKYVATVIXRAFBJ-ZQDZILKHSA-N 314.495 3.021 0 40 DGAB Cc1nscc1C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 97237522 XPOJGBXBDFLKKC-HOTGVXAUSA-N 316.426 3.319 0 40 DGAB Cc1cc(-c2nn3c(-c4ccccc4Cl)nnc3s2)on1 95474311 XRGNKEMCRGTQML-UHFFFAOYSA-N 317.761 3.470 0 40 DGAB COc1ccc(Cc2noc(-c3csc(C)n3)n2)cc1OC 96405293 WJITUVWKYRHSTP-UHFFFAOYSA-N 317.370 3.110 0 40 DGAB CC(=O)c1c(F)cc(F)cc1OCc1nccn1C(F)F 96482449 MZEUCTUASYEXBO-UHFFFAOYSA-N 302.227 3.338 0 40 DGAB Cc1ccsc1C(=O)NCc1cccc(NC(=O)N(C)C)c1 96423194 UVJBNZXJOPZBKN-UHFFFAOYSA-N 317.414 3.080 0 40 DGAB CC(C)(C)n1cc(N[C@H](C(=O)NC2CC2)c2ccccc2)cn1 97377250 RNWQEQGTDGIOQZ-INIZCTEOSA-N 312.417 3.070 0 40 DGAB Cc1nc2ccccn2c1-c1nnc(N2CCC[C@H]2C(C)C)n1C 581071400 MEDYFWDWXPXCHB-AWEZNQCLSA-N 324.432 3.063 0 40 DGAB COc1ccc([C@H](C)NCc2ccon2)c(Br)c1 97231018 ZDOSESMTAVLKEG-VIFPVBQESA-N 311.179 3.297 0 40 DGAB Cc1ncoc1C(=O)N1CC[C@H](Cc2ccnc3ccccc23)C1 257240626 HUJSCLSQYBZGNH-CQSZACIVSA-N 321.380 3.236 0 40 DGAB Cc1ccccc1C(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257231168 GFPPHFKLGVBYJN-AYOQOUSVSA-N 322.408 3.320 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257291092 QFPRXIVSUNPUHQ-GOSISDBHSA-N 323.440 3.156 0 40 DGAB Cc1cc(S(=O)(=O)Nc2c(C)nsc2C)c(F)cc1F 585086414 VLHGCOTUCUAZIL-UHFFFAOYSA-N 318.370 3.147 0 40 DGAB C[C@H]1CC(NC(=O)c2cc(C(F)(F)F)cnc2O)C[C@H](C)C1 585121949 HBGXPNQJRHCHGY-RKDXNWHRSA-N 316.323 3.361 0 40 DGAB CN(C(=O)CCC(=O)OC(C)(C)C)[C@H]1CCCc2cccnc21 252478542 APDHVMVHRDLGQX-AWEZNQCLSA-N 318.417 3.039 0 40 DGAB COc1ccc(C(=O)[C@H](Br)CBr)cc1 382704508 RNWDGCOGUHEHIE-SECBINFHSA-N 321.996 3.036 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)CC2CCOCC2)C12CCCCC2 98016454 FBQNQEQFJNKNLL-HZPDHXFCSA-N 309.450 3.047 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)C[C@H](C)c2ccccc2)[C@]12CCCO2 108499843 VWCXRSMXFMPBQP-ITQYTPKQSA-N 317.429 3.023 0 40 DGAB CN(/C=C/c1nnnn1-c1ccc(Cl)cc1)c1ccccc1 5797646 AQTARGWINYXOHP-VAWYXSNFSA-N 311.776 3.423 0 40 DGAB O=C(COc1ccccc1Cl)Nc1cccc(C(=O)O)c1 5584210 HAERVZFRCOQLBU-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1ccc(F)cc1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937357 HEVDLNOWKKDHEJ-UHFFFAOYSA-N 323.327 3.137 0 40 DGAB CCCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OC 6324381 UNVRHYXVNPHQEF-LCYFTJDESA-N 307.371 3.150 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)CCC3)c2c(C)noc2n1 25769252 DZWDFPTZNOGTRM-UHFFFAOYSA-N 314.370 3.037 0 40 DGAB CCOc1ncccc1CNC(=O)Cc1cccc2ccccc12 31323248 WJUMAKNPLVWDPW-UHFFFAOYSA-N 320.392 3.492 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2cncc(Br)c2)on1 32971660 KXSDXMLRXKHJHU-UHFFFAOYSA-N 324.178 3.382 0 40 DGAB COc1cccc2s/c(=N/C(=O)c3ccc(F)cc3)n(C)c12 1508623 KSNFATNBEJUSFT-FBMGVBCBSA-N 316.357 3.129 0 40 DGAB COC(=O)COc1cc(-c2ccc(C)cc2)nc2ccc(N)cc12 21658101 LOFACGOOMPZXTO-UHFFFAOYSA-N 322.364 3.344 0 40 DGAB Fc1ccc(N2CCN(c3ccc(Cl)cn3)CC2)c(F)c1 2298048630 FZSPWCPOGAKFFA-UHFFFAOYSA-N 309.747 3.340 0 40 DGAB O=c1c2ccsc2ncn1Cc1cc(F)cc2cccnc12 31606531 WSEFOZSAAISIAX-UHFFFAOYSA-N 311.341 3.194 0 40 DGAB Cc1ccc(-c2nc(Cn3cnc4ccsc4c3=O)co2)cc1 31789176 DXKLSLLQOOEPEW-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB CC(=O)Nc1cccc(NC(=O)COc2cccc3[nH]ccc23)c1 20761844 ZNUYUPYDEOLMHT-UHFFFAOYSA-N 323.352 3.144 0 40 DGAB biogenic CC(C)N(C(=O)c1ccccc1-c1ccc(C(N)=O)o1)C(C)C 32576502 QROHSMHOIMDOAH-UHFFFAOYSA-N 314.385 3.305 0 40 DGAB C[C@@H](c1ccc(-c2ncccc2C(N)=O)cc1)N1CCCCC1 32540640 RDCDMGRIKFRAAT-AWEZNQCLSA-N 309.413 3.394 0 40 DGAB COc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)c1 21148676 WWPTUHUGUDPASE-KRWDZBQOSA-N 316.445 3.176 0 40 DGAB CCOC(=O)CSc1nnc2c(n1)-c1cccc3cccc-2c13 367222 XJEBGJKDKPGMGD-UHFFFAOYSA-N 323.377 3.327 0 40 DGAB O=C(Nc1ccccc1C(=O)NCC1CC1)c1cccs1 91235 OSUSFCJJIKMPNN-UHFFFAOYSA-N 300.383 3.140 0 40 DGAB Cc1cccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)c1 32912073 PVRAORIMQXTGRF-LJQANCHMSA-N 308.425 3.389 0 40 DGAB c1ccc2sc([C@H]3CCCN3c3nccn4cnnc34)nc2c1 76017815 CBANYACFMMMVOQ-GFCCVEGCSA-N 322.397 3.076 0 40 DGAB CC[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 1328591 XBZGEUSURWRTCQ-CQSZACIVSA-N 317.410 3.308 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)CCCOc1ccc(Cl)cc1 78747979 HXMZZJZKHYFQSQ-UHFFFAOYSA-N 321.808 3.155 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)oc2c1)c1ccc2nncn2c1 79025326 ONZPJADLZJPCDQ-UHFFFAOYSA-N 319.324 3.000 0 40 DGAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 1981098 ACFPVAFLKIPOKG-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB C[C@@H]1CCCN1CCC(C(N)=O)(c1ccccc1)c1ccccc1 2036717 VPNANHREENRPSZ-QGZVFWFLSA-N 322.452 3.332 0 40 DGAB C[C@@H]1CCCCN1C(=O)CCCCC(=O)N1CCCC[C@H]1C 2750654 JUJFXCLBPZBDMK-HZPDHXFCSA-N 308.466 3.349 0 40 DGAB CCN(CC)C(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 2777692 MOCZFMVGUCIORG-UHFFFAOYSA-N 323.746 3.301 0 40 DGAB COC(=O)[C@@H]1[C@@H](C(=O)OC)[C@@H](c2ccccc2)[C@@H]1c1ccccc1 4973012 YAQLZIKGHVLJJZ-XSLAGTTESA-N 324.376 3.146 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 6862613 LWLPORXSTYOEKY-NALNUFGESA-N 315.413 3.157 0 40 DGAB C[S@](=O)Cc1cccc(C(=O)Nc2cccc3cccnc23)c1 54225732 CXUBLANWLNPNLW-HSZRJFAPSA-N 324.405 3.366 0 40 DGAB Cc1cc(CNC(=O)c2cccnc2SC2CCCC2)on1 61623202 KTSMXUUUSHJNBK-UHFFFAOYSA-N 317.414 3.343 0 40 DGAB O=C(NCC1CC1)c1ccc(NC(=O)c2cccs2)cc1 24926654 YCGBXDKDHBFENQ-UHFFFAOYSA-N 300.383 3.140 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 20492844 YDYRZSDQQCAQGI-CQSZACIVSA-N 319.426 3.184 0 40 DGAB C[C@@H](Nc1nc(-c2ccncc2)nc2ccccc12)C(C)(C)O 58183212 HHBNZAMCTGLRAE-GFCCVEGCSA-N 308.385 3.263 0 40 DGAB Cc1nc(C)c(CCNC(=O)N[C@@H](C)c2cccc(O)c2)s1 112454867 BUZFTJSIUZWMBL-JTQLQIEISA-N 319.430 3.068 0 40 DGAB NC(=O)Nc1ccc(C(=O)N[C@H](c2ccccc2)C2CC2)cc1 24027936 VULWISCWVDSDQS-MRXNPFEDSA-N 309.369 3.058 0 40 DGAB CSc1ccccc1NC(=O)c1ccc2c(c1)OCCO2 10511788 CTTIPPNPTBJIPR-UHFFFAOYSA-N 301.367 3.432 0 40 DGAB CC(C)NC(=O)[C@@H](C)Sc1ncc(-c2ccc(F)cc2)o1 10842512 DUHQCDZZGPGWHX-SNVBAGLBSA-N 308.378 3.486 0 40 DGAB O=C(c1cncn1-c1ccccc1)N1CCC[C@@H](C(F)(F)F)C1 48355359 MAVKQLOMOLCEGA-GFCCVEGCSA-N 323.318 3.287 0 40 DGAB O=C(NC1CC1)c1ccc(SCc2cccc(F)c2)nc1 12928179 FSRUKBPAGJXESM-UHFFFAOYSA-N 302.374 3.405 0 40 DGAB COc1ccc(-c2nnc(Cc3nc(C(C)(C)C)no3)o2)cc1 65185392 JDXVHLKRQKRVBZ-UHFFFAOYSA-N 314.345 3.017 0 40 DGAB O=C(NC1CCCCC1)N(Cc1cccnc1)C[C@@H]1CCCO1 6398148 BWWSMDOCWZYPNZ-KRWDZBQOSA-N 317.433 3.105 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N(C)[C@H](C)c1cccs1 65591783 SXYOZNDQUDFWRY-GFCCVEGCSA-N 306.435 3.115 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 9114770 LGYURHIQXCZADH-KRWDZBQOSA-N 323.440 3.144 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2ccc(C)o2)cc1 9253601 RMRIAORZTYVMLK-LBPRGKRZSA-N 301.342 3.334 0 40 DGAB COc1cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)ccc1O 66079224 LBHCBNVUCHSTNV-INIZCTEOSA-N 310.353 3.098 0 40 DGAB CCn1c(SCc2cn3cc(C)ccc3n2)nnc1C1CC1 6934846 DNNKHEFQOKZKTM-UHFFFAOYSA-N 313.430 3.424 0 40 DGAB CC(=O)Nc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885979 PFNBAOQECHKZOB-GOSISDBHSA-N 321.380 3.374 0 40 DGAB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@]1(C)O 9436804 TUSGHQTZYMNUON-IKGGRYGDSA-N 318.804 3.016 0 40 DGAB Cc1noc(CCC(=O)N2CC3(CCCC3)c3ccccc32)n1 81578484 GYNMVXHWHCGSFD-UHFFFAOYSA-N 311.385 3.169 0 40 DGAB Cc1cc(C)nc(SCC(=O)Nc2cc(Cl)ccc2O)n1 8301497 QJJLQDASDZXGFN-UHFFFAOYSA-N 323.805 3.183 0 40 DGAB C[C@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@H]1CCCO1 71799644 MZZHPMWJAQMOJV-MEDUHNTESA-N 324.371 3.206 0 40 DGAB C[C@@H](O)CN1CCC(CN[C@H](C)c2ccc(Cl)cc2)CC1 69513953 YBHBPPGTSVCVDM-ZIAGYGMSSA-N 310.869 3.083 0 40 DGAB CN1CCCN(C(=O)CC2CCCC2)c2nc3ccccc3nc21 17364290 WEMSSPCSSIPKNF-UHFFFAOYSA-N 324.428 3.383 0 40 DGAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cn2cccn2)o1 96433284 SFHAYVSEPRNDBY-ZFWWWQNUSA-N 301.390 3.038 0 40 DGAB Cc1ccc(NC(=O)N(C)[C@@H](C)CNC(=O)OC(C)(C)C)cc1 69740848 LDMMBIJEXOBTAC-ZDUSSCGKSA-N 321.421 3.372 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1F 18015049 IAOFXRQSINSCNA-VIFPVBQESA-N 301.296 3.332 0 40 DGAB COc1ccccc1NC(=O)N1C[C@H](O)C[C@H]1C1CCCCC1 72285611 WFVNFXAGWFFQGN-ZBFHGGJFSA-N 318.417 3.243 0 40 DGAB O=C(Nc1c[nH]ccc1=O)c1ccc(Sc2ccccn2)cc1 84613293 WNPHRQKSQROZED-UHFFFAOYSA-N 323.377 3.173 0 40 DGAB O=C1N[C@H](c2cc(Cl)cc3cccnc23)Nc2ncccc21 95418343 OSSWZPWBFLOIDN-OAHLLOKOSA-N 310.744 3.137 0 40 DGAB Cc1nc(CN[C@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C 95423527 NSIJSWXIXWIDMY-LLVKDONJSA-N 324.471 3.014 0 40 DGAB O=C1[C@@H](SCc2ccon2)CCCN1c1ccccc1F 95448528 LNURTVNRBSZGPA-AWEZNQCLSA-N 306.362 3.243 0 40 DGAB O=C(Nc1cnc(-c2cccc(O)c2)nc1)c1cc2occc2[nH]1 95978470 ZPISDZTYEJSCJU-UHFFFAOYSA-N 320.308 3.176 0 40 DGAB C[C@H](c1ccccn1)N(C)Cc1nnc(-c2cccs2)o1 95977306 GIRIBXJHGZTZBG-LLVKDONJSA-N 300.387 3.386 0 40 DGAB O[C@@H]1CCCC[C@@H]1NC1CCN(Cc2ccccc2Cl)CC1 95967960 YJUDVJKXFHVFQC-ZWKOTPCHSA-N 322.880 3.198 0 40 DGAB COc1ccccc1[C@@H](C)N1CCN(Cc2cncs2)CC1 95982891 UJOXJCJJVDQSJS-CQSZACIVSA-N 317.458 3.031 0 40 DGAB COc1ccc2cc(CNC(=O)NCCc3ccco3)ccc2c1 9977098 GZUBMKUCBSODLK-UHFFFAOYSA-N 324.380 3.483 0 40 DGAB COc1ccc(-c2cnn(Cc3ccccc3)c2N)cc1OC 408600450 YRSFAAOEWLPMLR-UHFFFAOYSA-N 309.369 3.198 0 40 DGAB CSc1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72216866 YWHWLHWFMINKJB-UHFFFAOYSA-N 310.419 3.291 0 40 DGAB O=C(CSc1cn[nH]n1)N(C1CCCCC1)C1CCCCC1 71258965 MROFKTPNOKCZPX-UHFFFAOYSA-N 322.478 3.391 0 40 DGAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1cccc(-n2cccn2)c1 73205695 SHWJGMVNEXJUJC-XVJNWHFHSA-N 318.380 3.158 0 40 DGAB Cc1cnc(CN2C[C@H](c3ccccc3Cl)OC[C@@H]2C)cn1 78923227 JYWWBKBDEZGRSY-SUMWQHHRSA-N 317.820 3.400 0 40 DGAB CCOc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 10641843 TWUVKEGVKCCZJZ-HNNXBMFYSA-N 310.353 3.150 0 40 DGAB CC1CCC(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)CC1 42646497 MZDUYACKEZHFBL-UHFFFAOYSA-N 302.418 3.443 0 40 DGAB COc1cccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)c1 44508895 XIJLWBOLUGFGJX-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB COc1ccc(CS(=O)(=O)c2cccs2)c(Cl)c1 83992821 DLOKKPUCKNOHKT-UHFFFAOYSA-N 302.804 3.384 0 40 DGAB S=C(NCCCSCc1ccco1)Nc1ccncc1 225595491 BNVITMOFVTYRIG-UHFFFAOYSA-N 307.444 3.285 0 40 DGAB CCN(CC)C(=O)CCC1CCN(c2ncc(C)s2)CC1 195272894 BSLGLXHSEKRTEC-UHFFFAOYSA-N 309.479 3.317 0 40 DGAB O=[S@](CCc1cccs1)c1ccc2c(c1)OCCCO2 191177110 UWTRWNXFHFQBRS-HXUWFJFHSA-N 308.424 3.260 0 40 DGAB O=C(Nc1ccncc1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 89262715 UNKNYCBOWRWOMA-GJZGRUSLSA-N 317.776 3.387 0 40 DGAB COc1cccc(O[C@@H](Cc2ccc(C)c(C)c2)C(=O)O)c1 225034351 DURCAFUPEZLCQS-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB COC[C@@H](NCc1ccc(CO)c(F)c1)c1ccc(Cl)cc1 193991775 LUVRLKRQVJRXOS-QGZVFWFLSA-N 323.795 3.449 0 40 DGAB CC[C@H](C(=O)O)N(C)Cc1cn(-c2ccccc2Cl)nc1C 1589444106 QYAOWSXYOPUVJH-CQSZACIVSA-N 321.808 3.129 0 40 DGAB N[C@H](c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)n[nH]1 95533262 FSRMXXAQZRNMMM-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB FC(F)(F)c1cccc(CN[C@@H]2CCC23CCOCC3)n1 581352450 NSNZEVOIASSGSS-GFCCVEGCSA-N 300.324 3.149 0 40 DGAB C[C@H](CCn1cncn1)NCc1ccc(F)c(C(F)(F)F)c1 96484926 AVNJUAXBGLPBLF-SNVBAGLBSA-N 316.302 3.004 0 40 DGAB Cc1ccc2c(n1)OCCN2C(=O)c1ccc(F)c(Cl)c1 97230830 OLOCSKXSTPAOFC-UHFFFAOYSA-N 306.724 3.222 0 40 DGAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1ocnc1C1CC1 585083573 HOWSKLNAWRFMNG-SNVBAGLBSA-N 300.333 3.451 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1ccccc1C)CC2 248168547 UFEJDKPVHPYXNQ-GOSISDBHSA-N 303.446 3.403 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257298342 RLGSCNWZIHKZSG-ZDUSSCGKSA-N 315.442 3.256 0 40 DGAB Cc1nccc(N2CCC[C@](C)(C(=O)Nc3ccccc3)C2)n1 257291867 QIZBBHBDHZXUPX-SFHVURJKSA-N 310.401 3.030 0 40 DGAB CCCN(CCC)c1nn(-c2ccccc2CC)nc1C(=O)O 256045633 AERMORKMINDTQB-UHFFFAOYSA-N 316.405 3.154 0 40 DGAB Cc1cc([C@H]2CN(C(=O)c3ccc4c(c3)CCC4)CCO2)ccn1 257331610 XTOPEIIPAFNZJG-LJQANCHMSA-N 322.408 3.092 0 40 DGAB CCn1nccc1-c1nccnc1C[C@H]1CCCN(C(C)C)C1 257313420 USHOMAFZYZMAHU-OAHLLOKOSA-N 313.449 3.023 0 40 DGAB Cc1csc(C(=O)N2CC[C@H](c3nc(C)cc(C)n3)C2)c1 257307754 TTYCVVRREDHPJD-ZDUSSCGKSA-N 301.415 3.093 0 40 DGAB COCC(=O)c1ccc(Br)cc1OC(F)(F)F 575362665 VBNGIJKOAILWSX-UHFFFAOYSA-N 313.069 3.177 0 40 DGAB O=C(Nc1ccc(F)cc1F)N(CCO)Cc1ccsc1 52121847 OPELVLTXXLOKIS-UHFFFAOYSA-N 312.341 3.053 0 40 DGAB O=C(Cc1ccsc1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55944410 NKKHUSCFAZWKOK-WBVHZDCISA-N 319.401 3.466 0 40 DGAB Cc1ccc(CC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 69379075 AKTNLUAYJGJYJQ-UHFFFAOYSA-N 320.396 3.010 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c(C)o1 69454389 QVUZGCDTQIGFKO-WDEREUQCSA-N 318.421 3.368 0 40 DGAB COc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(C)cc1C 41095233 OWIJHLHATXVQMF-BXUZGUMPSA-N 311.447 3.169 0 40 DGAB Cc1ccc(OCCNC(=O)COc2cc(C)ccc2C)cc1 5814522 JLTOJICXKKZYJR-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)[C@H]1C[C@@H]1C)CC1(CCOCC1)O2 12337449 WNWBDFOCJJTNMC-OFQRWUPVSA-N 315.413 3.140 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cc(F)cc(F)c1 13265225 SKCCEHZOLXVSJB-PBHICJAKSA-N 301.340 3.325 0 40 DGAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccccc3C)OC2=O)cc1 13927339 HKMVKQPHJYAQCZ-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1cccc2ccccc12 14199157 XPSYNNDHNANFQA-UHFFFAOYSA-N 321.376 3.342 0 40 DGAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1cc(F)ccc1F 15332109 BMDNKMDGUOFTQZ-SECBINFHSA-N 321.279 3.100 0 40 DGAB Cc1ccc2[nH]c(=O)c(CNc3ccc4[nH]ncc4c3)cc2c1 19221132 RCURFCXRWSVXKW-UHFFFAOYSA-N 304.353 3.325 0 40 DGAB CCSc1nnc([C@H]2CCCN(Cc3ccco3)C2)n1CC 19524205 QSVVQHGVINGEBX-ZDUSSCGKSA-N 320.462 3.383 0 40 DGAB Oc1ccccc1N1CCN(c2ccc3ccccc3n2)CC1 6508762 LAZZQOIUSCDOFR-UHFFFAOYSA-N 305.381 3.267 0 40 DGAB CC(C)[C@@H](C)N(C)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 27186589 GOZWZWNMDAIMAI-WEKMIXOTSA-N 314.429 3.095 0 40 DGAB Cc1ccc(C(=O)NCc2ccnc(-c3cccnc3)c2)s1 238826033 DTPWCQGRPPQRKT-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB Cc1cc(C)c2oc(-c3cc(-n4cnnc4)ccc3O)nc2c1 45920583 GBRNCLJAABOPIU-UHFFFAOYSA-N 306.325 3.398 0 40 DGAB CCCC(=O)N1CCC(c2nc3ccc(F)cc3cc2N)CC1 12087988 VOHRIWWIEQOAQT-UHFFFAOYSA-N 315.392 3.462 0 40 DGAB CCOc1ncccc1CNC(=O)Nc1ccc(F)c(F)c1 40097587 DYHJNARGPHHFOP-UHFFFAOYSA-N 307.300 3.080 0 40 DGAB CCOc1ccccc1CNC12C[C@@H]3C[C@H](CC(O)(C3)C1)C2 101599194 DNQFOLNHDMVUHM-GKVPXEHWSA-N 301.430 3.259 0 40 DGAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)Nc1ccccc1F 32779490 IPQCZTUKTJHRBJ-CQSZACIVSA-N 308.740 3.334 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@H]1C[C@H]2CC[C@H]1C2 102227317 VMCHLGWSINPFOR-OXJKWZBOSA-N 313.850 3.443 0 40 DGAB CCOC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)CC1=O 33954 CWDKUMOHKMQXFH-MRXNPFEDSA-N 322.364 3.126 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(Br)cc2)ns1 11914067 ZIDSGNISZHNZHR-UHFFFAOYSA-N 312.192 3.316 0 40 DGAB Cc1nc(SCC(=O)Nc2c(F)cccc2F)nc(C)c1C 2622462 GKVGQMIHOQAHBO-UHFFFAOYSA-N 323.368 3.411 0 40 DGAB COc1ccc(NC(=O)Cc2c[nH]c3ccccc23)c(OC)c1 2651435 OVLUGQMRVKQHCB-UHFFFAOYSA-N 310.353 3.366 0 40 DGAB Cc1ccc(Nc2nc(NCCO)c3ccccc3n2)cc1C 2873557 RHZLKBRFIAZMTN-UHFFFAOYSA-N 308.385 3.394 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(F)cc2)s1 3384650 SHTZKCUQAOFRIB-LLVKDONJSA-N 321.373 3.230 0 40 DGAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccccc1C 4317619 PBUJPBRYOPYXJF-UHFFFAOYSA-N 318.398 3.268 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)c2cccnc2OCC(F)(F)F)C1 33185815 REKWDBYPFQRBTR-GHMZBOCLSA-N 316.323 3.331 0 40 DGAB O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@@H]1c1ccccc1 46875860 GHWIMRQGDQUYSJ-IAGOWNOFSA-N 308.381 3.147 0 40 DGAB CC[C@@H](C)NC(=O)Cc1csc(COc2ccccc2)n1 33326126 MQZGBMOJZQFTIQ-GFCCVEGCSA-N 304.415 3.179 0 40 DGAB Cc1noc(C2CCN(C(=O)c3c(C)[nH]c4ccccc34)CC2)n1 53448419 ZPUXBNPVMKIXCZ-UHFFFAOYSA-N 324.384 3.188 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1c(Cl)cccc1Cl)[C@H]1C=C[C@H]2C1 102439617 CNAQIPOJGFCTLA-OSTYVCCYSA-N 308.164 3.305 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1ccc2nccnc2c1 12322674 YOBUNYKPTRNWKL-QGZVFWFLSA-N 322.393 3.389 0 40 DGAB Cc1ccc(-c2ccc(OC(=O)c3cccnc3)nn2)cc1C 10127763 YJIAIRCUNSOPIP-UHFFFAOYSA-N 305.337 3.375 0 40 DGAB CCSCc1ccnc(NC(=O)N(C)Cc2cc(C)on2)c1 97107691 OVHHBOODCBEWSX-UHFFFAOYSA-N 320.418 3.295 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1C[C@H]1c1ccc(F)cc1 24905105 QEIZZLYCXXCXAQ-HOTGVXAUSA-N 322.343 3.149 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccc(F)cc1)c1ccccc1 12538828 DXNGMDWXBISYCR-INIZCTEOSA-N 324.359 3.470 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)n1 25791736 YNCIIWRHPFEZLC-NSHDSACASA-N 306.312 3.482 0 40 DGAB CC(C)[C@@H](C)NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 56653782 RDXOPSIDNUAGGD-SNVBAGLBSA-N 311.813 3.208 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@H]2OCC[C@@H]2C)c2cccnc2)cc1 108119533 MOABRCJVRGZOLA-SNRMKQJTSA-N 324.424 3.215 0 40 DGAB COc1cccc([C@@H]2C=C(c3ccccc3)N=C3NN=NN32)c1 1805474 LGFWDVWXCNRCSV-INIZCTEOSA-N 305.341 3.334 0 40 DGAB COc1ccc(C(=O)c2ccccc2)c(OC(=O)[C@@H]2C[C@H]2C)c1 44673384 FCUYQQPIWXRKSQ-MLGOLLRUSA-N 310.349 3.488 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3sc(C)nc3C)CC2)c1 44889496 USIRTOCDCHSTRT-UHFFFAOYSA-N 315.442 3.031 0 40 DGAB C[C@@H](Cc1cccc(Cl)c1)NC(=O)c1cc(C2CC2)[nH]n1 36396812 YKRHKJZFJOPDEH-JTQLQIEISA-N 303.793 3.302 0 40 DGAB O=C(NC1CCCCC1)c1ccc(Cn2cc(Cl)cn2)o1 36623968 UPCBXNKFCQGPMX-UHFFFAOYSA-N 307.781 3.240 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccc(C)o2)c1 48346195 MYHLCUYWTYYCGF-GFCCVEGCSA-N 314.385 3.046 0 40 DGAB O=C(NC[C@H]1CCCN1)OCC1c2ccccc2-c2ccccc21 2598107 USRVCSZMWYOWQY-CQSZACIVSA-N 322.408 3.277 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1 3532615 BMXXQJJGJJUEOJ-UHFFFAOYSA-N 313.325 3.164 0 40 DGAB Cc1cccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)n1 12918293 KVVQKWLPHYVYNM-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB COc1cccc(OCc2ccc(C(=O)Nc3ccon3)o2)c1 28227861 QMBUTSOPVUWPHB-UHFFFAOYSA-N 314.297 3.108 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 49305326 ZNCULHIAOWFQJV-QMMMGPOBSA-N 319.279 3.100 0 40 DGAB c1ccc(Cn2cc(-c3cnn(-c4ccccn4)c3)cn2)cc1 49592532 YEXQADONVRPEEO-UHFFFAOYSA-N 301.353 3.179 0 40 DGAB O=C(CN1CCCc2ccccc21)Nc1cccc2nsnc12 19077070 KYTNFRLCOSHIBN-UHFFFAOYSA-N 324.409 3.083 0 40 DGAB CCN(CCO)c1ccc(NC(=S)NC2CCCCC2)cc1 6318592 LBTIFHOCQPMJGJ-UHFFFAOYSA-N 321.490 3.124 0 40 DGAB COc1ccc(-c2nnc(COc3ccccc3OC)o2)cc1 14216748 QOWFOXXIMJJEQM-UHFFFAOYSA-N 312.325 3.333 0 40 DGAB COc1ccc(F)cc1COC(=O)c1ccc2nccnc2c1 5420228 OMWXQDIVSHJEBB-UHFFFAOYSA-N 312.300 3.135 0 40 DGAB CCc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 4634926 QULFYMZJXALSRP-UHFFFAOYSA-N 324.405 3.461 0 40 DGAB aggregator Cc1ccccc1C(=O)N[C@H](NC(C)C)C(Cl)(Cl)Cl 19315708 HWDYSSXOAMXZNK-LBPRGKRZSA-N 323.651 3.419 0 40 DGAB Cn1c(SCC(=O)N2CCCCCC2)nc2ccccc21 6628750 LAKUKOHVKMFMRV-UHFFFAOYSA-N 303.431 3.068 0 40 DGAB O=C(NCC1(c2cccs2)CCOCC1)c1ccccc1 23237984 YVTYLXZOYPXSLO-UHFFFAOYSA-N 301.411 3.226 0 40 DGAB COc1ccccc1C(=O)NCc1ccc(-n2ccnc2C)cc1 22525375 TUTJEWWLIYPLJD-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)c2cc3ccccc3o2)cc1 9146246 GPDDXQGRBKOMMF-UHFFFAOYSA-N 314.362 3.398 0 40 DGAB C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H](C)O1 25411261 CSEFGRIRMNGPOG-RYUDHWBXSA-N 311.809 3.111 0 40 DGAB NC(=O)c1ccccc1OCc1csc(-c2ccccc2)n1 7425254 XBOPBZXYPSLRKK-UHFFFAOYSA-N 310.378 3.488 0 40 DGAB Cc1cnc(NC(=O)[C@@H]2CCCN2Cc2ccc(F)cc2)s1 80576101 BQPURKSTCJHPJQ-AWEZNQCLSA-N 319.405 3.194 0 40 DGAB COc1ccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)cc1 8118297 RWOFJLREJMJAJE-AWEZNQCLSA-N 310.397 3.081 0 40 DGAB CC(=O)CSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 8130224 WEMHHAVKCPQMGF-UHFFFAOYSA-N 312.398 3.442 0 40 DGAB CCN(CC)C(=O)CCC1CCN(c2ncccc2F)CC1 96007542 OVXAJQKZYFYUGN-UHFFFAOYSA-N 307.413 3.086 0 40 DGAB COCc1nc(N2CCCCCC2)cc(N2CCCCCC2)n1 96011460 LBCPTFBMLSVGMG-UHFFFAOYSA-N 318.465 3.384 0 40 DGAB Cc1csc([C@@H](C)NC(=O)N2CCc3ccccc3C2)n1 69327853 PJBIYVGVACOKMX-GFCCVEGCSA-N 301.415 3.280 0 40 DGAB COc1ccccc1-c1nnc2n1N=C1CCCC[C@H]1S2 8342546 MUCQFAGZFIZKQJ-CYBMUJFWSA-N 300.387 3.206 0 40 DGAB O=C(Nc1ccccn1)c1ccc(OCc2ccccc2)nc1 69536077 OANZJQFNSAEORZ-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB Cc1nc(C)c(C(=O)NCCc2nc3c(s2)CCCC3)s1 69706191 GRFFZBJQEGKFTP-UHFFFAOYSA-N 321.471 3.068 0 40 DGAB Brc1ccc(-c2cnc(Cn3ccnc3)o2)cc1 72558625 MJGCXOMJKDOIBZ-UHFFFAOYSA-N 304.147 3.349 0 40 DGAB COCc1ccc([S@](=O)Cc2cn3cccc(C)c3n2)cc1 83977988 JAQQCATUFPDMPI-QFIPXVFZSA-N 314.410 3.097 0 40 DGAB C[C@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 9895826 KLLBKMSEKFXJNI-MAUKXSAKSA-N 322.408 3.169 0 40 DGAB c1cc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccncc2)ccn1 306131963 KUCGCFVHMCLMSR-PMACEKPBSA-N 323.440 3.089 0 40 DGAB CC[C@@H](C)c1csc(NC(=O)N(C)Cc2cnccn2)n1 84726934 HJCGRXZQLPIHJF-SNVBAGLBSA-N 305.407 3.111 0 40 DGAB Cc1csc([C@H](NC(=O)N2C[C@H]3CCC[C@H]3C2)C2CC2)n1 95410899 ABIXRNOWEHETHD-HZSPNIEDSA-N 305.447 3.344 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)C1 95411753 ZKKQOXPXKXVBLO-UONOGXRCSA-N 320.462 3.492 0 40 DGAB Cc1ncccc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 74036916 FHPPMBAVJCNUCV-ZDUSSCGKSA-N 306.369 3.067 0 40 DGAB Cc1ccc(CC(=O)N2C[C@H](C(C)C)Nc3ccccc32)cn1 75092907 HNLVOKUYGMAMAY-QGZVFWFLSA-N 309.413 3.416 0 40 DGAB Cc1nnc(COc2ccc(NC(=O)C3CCCCC3)cc2)o1 75138422 VTMBBAZLKWSDJG-UHFFFAOYSA-N 315.373 3.476 0 40 DGAB COC(=O)N[C@]1(C(F)(F)F)Oc2ccc(C(C)(C)C)cc2O1 32704083 SVCZLRCBXQJNCW-CQSZACIVSA-N 319.279 3.327 0 40 DGAB COc1cccc(-c2nnc(NCc3cccs3)o2)c1OC 186042443 TYMFUOBMWVBKLZ-UHFFFAOYSA-N 317.370 3.427 0 40 DGAB Cc1cc2c(c(=O)n1C)[C@H](c1ccc(C(C)C)cc1)CC(=O)O2 524730476 KRCPMOHYPGXQAK-HNNXBMFYSA-N 311.381 3.258 0 40 DGAB biogenic O=C(c1cscn1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 72346768 YERRVSYBPXIDFI-CQSZACIVSA-N 312.398 3.387 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCNC[C@@H]1c1ccccc1 313339021 DWKMXMIFOOBWIG-LJQANCHMSA-N 317.392 3.022 0 40 DGAB CC[C@](O)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 72208770 GYUAVEAGNWTQAY-MFKMUULPSA-N 311.344 3.337 0 40 DGAB CC(C)Nc1nc(COc2ccccc2Cl)ncc1C(=O)O 49469541 ACUYGLMZMCECMT-UHFFFAOYSA-N 321.764 3.228 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)NCC(C)C 224515118 YMIXGSNOCNILBK-INIZCTEOSA-N 318.461 3.019 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225643534 QCTJLMZPJCKLIR-CQSZACIVSA-N 315.442 3.452 0 40 DGAB Cc1cccc(CNc2ncnc3c2cnn3-c2ccccn2)c1 41529410 OXFBMPSIFYMLCP-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB CCO[C@H]1C[C@H](Nc2cccc(-c3ncn(C)n3)c2)C12CCC2 194991003 KKFFOOAHRASTIN-HOTGVXAUSA-N 312.417 3.242 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 41091247 WZDCYXKIUIURRY-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB Cc1ccc(C)c(C(=O)c2ccc(CN3CCOCC3)cc2)c1 43210846 IJIZPRXEMZZLMN-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2ccc(O)cc2)C1 40267849 AUNXYJMVCZHPQN-CQSZACIVSA-N 306.325 3.097 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225130211 SXGOJHUVYFPSFF-GJZGRUSLSA-N 304.434 3.037 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCc2nc3cc(C(=O)O)ccc3[nH]2)C1 225296521 YIQDNJZAJZLZHV-BETUJISGSA-N 315.417 3.172 0 40 DGAB COc1ccc(CCCNC(=S)Nc2ccc(C)cn2)cc1 225557961 FQENRSOIHCJJAR-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CCC 225132030 MKCMDKRBXWNJAW-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 195528651 TUNDSAYIPIRMJW-ZRGWGRIASA-N 324.428 3.212 0 40 DGAB CCn1c(C)nnc1SCCOc1ccc(SC)cc1 96430168 HWUNFGVJDYVMHW-UHFFFAOYSA-N 309.460 3.499 0 40 DGAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1CC1CCC1 96208497 PCXSALKFZZOANS-AWEZNQCLSA-N 312.417 3.034 0 40 DGAB Cc1ccc(N2CC[C@@H](N[C@H](C)CC(F)(F)F)C2=O)cc1 90101044 YQPMFXHGYVYJBP-DGCLKSJQSA-N 300.324 3.031 0 40 DGAB CCNC(=O)N[C@H](C)c1nc2cc(Cl)c(Cl)cc2[nH]1 583652050 XPAQILZUQDORCA-ZCFIWIBFSA-N 301.177 3.250 0 40 DGAB COC(=O)[C@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1 95936508 XKJACWYQAFNKQK-NEPJUHHUSA-N 311.175 3.221 0 40 DGAB COCCCN(C)C(=O)[C@H](C)c1ccc(Br)s1 96430740 HHQZRRXPPUIERK-SECBINFHSA-N 320.252 3.109 0 40 DGAB COc1ncc(C)cc1NC(=O)CCC(=O)c1cccs1 96445021 QAINIJDYEXRIPE-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB O[C@H](CCC1OCCCO1)c1ccccc1Br 95728397 JAHRQYDZMCVCIV-GFCCVEGCSA-N 301.180 3.026 0 40 DGAB CN(Cc1ccc(OCCF)cc1)C[C@@H](O)c1ccccc1 257321823 WDJRTGRRKWDVPA-GOSISDBHSA-N 303.377 3.200 0 40 DGAB Nc1nccc([C@@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 257251253 JPZVXKQCAKKTAO-KRWDZBQOSA-N 307.401 3.267 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257337338 YSKRUVLWJGVOSF-CQSZACIVSA-N 323.387 3.235 0 40 DGAB O=C(NCC[C@H](O)c1cc2ccccc2o1)c1ccsc1 96097198 PPDUVAKDJYWNPE-ZDUSSCGKSA-N 301.367 3.348 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1CCc1ccccc1 55485672 QROCFJAXYIIRQJ-QGZVFWFLSA-N 312.413 3.458 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@@H]2Cc2ccc(F)cc2)on1 71847687 RFEIYJIFTNIBOI-OAHLLOKOSA-N 302.349 3.360 0 40 DGAB Fc1ccc(OCCNc2nccc(C(F)(F)F)n2)cc1 514537705 OTCWQFGUSYMTAJ-UHFFFAOYSA-N 301.243 3.125 0 40 DGAB O=C([C@H]1CCc2ccccc2O1)N1CCC2(CC1)CC2(F)F 650609285 IZMWDMGFCKKBMI-CQSZACIVSA-N 307.340 3.028 0 40 DGAB COc1ccc(NC(=S)NCCc2ccccc2)cc1OC 5570212 WLCMTKRGRHDNHW-UHFFFAOYSA-N 316.426 3.233 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2cccs2)c(Cl)c1 5786824 IJVPDOLLBLAFKA-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB O=C(NC[C@@H]1CCCN2CCCC[C@@H]12)c1ccccc1Cl 14982445 ZZHFJTWJGFOXMO-BBRMVZONSA-N 306.837 3.334 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C(=O)N1Cc1ccc(Cl)cc1 16383298 LPHDWJWQVGENST-NEBZKDRISA-N 301.773 3.037 0 40 DGAB CC(C)n1c([C@@H](C)NC[C@H](O)C(F)(F)F)nc2ccccc21 162359507 FXAUGKGTKWRFCD-MFKMUULPSA-N 315.339 3.191 0 40 DGAB O=C(O)Cc1csc(NC(=O)Nc2cccc(Cl)c2)n1 5892191 AVNRWLPCIDLYKQ-UHFFFAOYSA-N 311.750 3.068 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cccnc1Cl 18092062 UYWZIWXSNMBJBM-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB O=S(=O)(c1ccccc1F)N(Cc1cccs1)C1CC1 28041269 JIGCURFSKLNTMX-UHFFFAOYSA-N 311.403 3.241 0 40 DGAB Cc1noc(-c2cncnc2NCCc2ccc(Cl)cc2)n1 245093437 RNHZPSZHBDEKCD-UHFFFAOYSA-N 315.764 3.143 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc(Cl)ccc1O)c1ccsc1 40070898 PIOAYBJDIDMESF-CYBMUJFWSA-N 324.833 3.140 0 40 DGAB O=C(CNc1ccc(Cl)cc1F)N1CCc2ccccc2C1 40160617 JNHFNQUDFJHQMO-UHFFFAOYSA-N 318.779 3.476 0 40 DGAB Cc1nnc(NC(=O)NC[C@H]2CCCc3ccccc32)s1 40103480 RDYFJLQRQXONGA-GFCCVEGCSA-N 302.403 3.088 0 40 DGAB Cc1cc(C)n(C(=O)COc2ccc(Br)cc2C)n1 194052 PYGZNXMGSSCNBQ-UHFFFAOYSA-N 323.190 3.290 0 40 DGAB CCOc1ccccc1C(=O)Nc1nnc(CC(C)C)s1 250117 XPLNQABDYPWAFO-UHFFFAOYSA-N 305.403 3.388 0 40 DGAB Cc1nnc(-c2cccc(NC(=O)[C@@H]3COc4ccccc43)c2)o1 78877569 ZPBHOWOXZZFMFI-OAHLLOKOSA-N 321.336 3.160 0 40 DGAB CCO[C@H]1C[C@@H](OC(=O)c2ccc(OC)nc2)C12CCCCC2 78948864 SFACRGTUAQYSCE-LSDHHAIUSA-N 319.401 3.375 0 40 DGAB COCc1ccc(CNC(=O)CSCc2cccs2)cc1 33190510 SWKRZIYUVJZDLD-UHFFFAOYSA-N 321.467 3.444 0 40 DGAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1 7308886 APPNSJSJYSQQIM-CQSZACIVSA-N 308.403 3.029 0 40 DGAB CC[C@@H]1CCCCN1Cc1ccc(NC(=O)CCC(=O)O)cc1 818820 ZMUDKKJNQULOGV-MRXNPFEDSA-N 318.417 3.254 0 40 DGAB CCCn1nnc2sc3c(c2c1=O)CC[C@H](C(C)(C)C)C3 1321082 KRRGSTKFWHRMLJ-JTQLQIEISA-N 305.447 3.414 0 40 DGAB Clc1cncc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 43535288 UNTAIDKRBFHANM-NSHDSACASA-N 313.792 3.390 0 40 DGAB CC[C@H](Oc1cccc2ccccc12)C(=O)NCCCN(C)C 20106478 MZMATRXSGDWBEY-KRWDZBQOSA-N 314.429 3.065 0 40 DGAB O=C(c1ccco1)N1CCC[C@@H]1c1nc(-c2ccccc2)no1 35319056 SJBFSCRXZQVRQZ-CYBMUJFWSA-N 309.325 3.307 0 40 DGAB COc1ccc(NC(=O)c2cncn2-c2ccccc2)c(OC)c1 12547691 GBYPWSVTYSPYCI-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCCNC(=O)Cn1cccc1-c1nc(-c2ccc(C)cc2)no1 57486861 CJZGTTJOOYWWGV-UHFFFAOYSA-N 324.384 3.040 0 40 DGAB NC(=O)CSc1ccccc1NCc1nc2ccccc2o1 12534028 WMAZBKHBSGEWPK-UHFFFAOYSA-N 313.382 3.017 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCc1ccco1 44896310 YALANBJHTSWQPJ-UHFFFAOYSA-N 310.353 3.144 0 40 DGAB Cc1cccc(OCCNC(=O)CSc2nc(C)cs2)c1 21335023 INWOPFMKFUAYBW-UHFFFAOYSA-N 322.455 3.047 0 40 DGAB CCC(=O)O[C@@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 10745555 FOGLLJIMRKBQEP-MRXNPFEDSA-N 301.317 3.459 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)OCC(=O)N1CCCC1 3371184 UQHVLPFWCBOHCO-UHFFFAOYSA-N 323.392 3.062 0 40 DGAB Cc1cc(C(=O)NCC2(c3ccccc3)CCOCC2)c(C)o1 38591729 WHZJAIQAONODKC-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3n2C)C1 13112971 RZEUOQRICBBCDK-BETUJISGSA-N 317.458 3.170 0 40 DGAB O=C(NCCCn1ccnc1)Nc1cccc(C(F)(F)F)c1 6161186 QFDUWIYUIAEHCG-UHFFFAOYSA-N 312.295 3.114 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc3c(c1)CCC3)C2 65184464 NKNYJGODJUEFPD-UHFFFAOYSA-N 309.365 3.110 0 40 DGAB CCCCCCC1=NN(C(=O)OCC)[C@](O)(C(F)(F)F)C1 4551129 YNNYCZXAXMRRPR-GFCCVEGCSA-N 310.316 3.426 0 40 DGAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3cccc(C)c3)n2)cc1 5483483 SEMPAFRWQOJDQU-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB Cn1c2c(s/c1=N\C(=O)c1ccco1)CCc1ccccc1-2 4648715 OMGDWZISLRHDRX-ZCXUNETKSA-N 310.378 3.186 0 40 DGAB Cc1nnc(NC(=O)COc2ccc(C(C)(C)C)cc2)s1 5756534 WBJZVGACFBFADP-UHFFFAOYSA-N 305.403 3.162 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1C(=O)NCCC1=CCCCC1 9578124 HYKFPASTVLNFFV-UHFFFAOYSA-N 321.442 3.019 0 40 DGAB Cc1nc(N)c2c(n1)C[C@H](c1ccc(C(C)(C)C)cc1)CC2=O 408712636 DDCLPCNMWANHLR-ZDUSSCGKSA-N 309.413 3.577 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)cc1)c1ccc2[nH]nnc2c1 9319290 MBHHZZLOALYRCO-UHFFFAOYSA-N 321.384 3.201 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1CCNCC1 21517658 SZLOWJUIUQRRPJ-UHFFFAOYSA-N 306.715 3.297 0 40 DGAB CSc1nc(C)c(CCC(=O)NC2CCCCC2)c(C)n1 7916604 YIKPRBBQNIGAHK-UHFFFAOYSA-N 307.463 3.197 0 40 DGAB COc1ccc(C2(C(=O)NCCC(C)(C)C)CCOCC2)cc1 71825481 OXBIJQABYUMUAZ-UHFFFAOYSA-N 319.445 3.296 0 40 DGAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)s1 69079804 MAPZTQYSAQIUOT-UHFFFAOYSA-N 319.810 3.361 0 40 DGAB O=C(Cc1csc(-c2ccccn2)n1)NCc1ccccc1 8130986 AKBMRJOHJHVIBG-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB CC[C@H](C)n1ncc2c(C(=O)Nc3cc(C)on3)cc(C)nc21 69379672 AWRUPVGTQWSXDW-JTQLQIEISA-N 313.361 3.259 0 40 DGAB CCc1nc(CCNC(=O)CCc2ccccc2O)sc1C 69488675 AKYXNELEAGPAOL-UHFFFAOYSA-N 318.442 3.011 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)c1 69415725 KPQDAIQOSIEWBW-QGZVFWFLSA-N 322.412 3.010 0 40 DGAB Cc1cnn(C[C@H]2CCCN2CCCc2nc3ccccc3o2)c1 71875968 HVGKAQQJVSLFOU-MRXNPFEDSA-N 324.428 3.430 0 40 DGAB CCc1ccccc1NC(=O)Cn1nc(C)nc1-c1ccccc1 69581841 GCWCTOWMOKFZPM-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB CSc1ccc(NC(=O)c2cc(C)n(C(C)(C)C)n2)cn1 69519972 KYGVANYRLQQOCU-UHFFFAOYSA-N 304.419 3.316 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2nc(-c3ccsc3)no2)c1 69528927 KFPLDXOTLKRXCA-NWDGAFQWSA-N 317.418 3.042 0 40 DGAB C[C@H](OC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)cs1 69740089 SBFUZFPZFIAYLC-NSHDSACASA-N 313.382 3.462 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)cc1 72089491 KDJGYIHQJLBFHN-CYBMUJFWSA-N 322.430 3.244 0 40 DGAB C[C@](O)(CC(=O)N1CCc2cc(F)ccc2C1)c1ccccc1 97079777 SEPXSASGHYBXBS-IBGZPJMESA-N 313.372 3.008 0 40 DGAB CC[C@H](C)n1ncc(C(=O)Nc2ncccc2O)c1C1CC1 97371242 HZOFCTSSRLLIPQ-JTQLQIEISA-N 300.362 3.084 0 40 DGAB CC(C)CC(CC(C)C)NC(=O)c1ccc2c(c1)NC(=O)CO2 84457017 AHKHNFKOPDVJAN-UHFFFAOYSA-N 318.417 3.208 0 40 DGAB Cc1cc(Cn2cnc3sc4c(c3c2=O)CCCCC4)no1 95381696 YFYGBEABMKOWCZ-UHFFFAOYSA-N 315.398 3.072 0 40 DGAB CC[C@@H](OC1CCCCC1)C(=O)N[C@@H](C)c1c(C)nn(C)c1C 84718716 PBHNUFIKWLIVNQ-BLLLJJGKSA-N 321.465 3.342 0 40 DGAB CC(C)OC[C@H](O)COC(=O)c1cc2cc(Cl)ccc2o1 95454637 CETBAZAZARJUII-LBPRGKRZSA-N 312.749 3.029 0 40 DGAB Cc1ccc(-c2n[nH]c(NC(=O)c3cnc4ccccn34)c2C)o1 95979224 OUGCPUUYZLGTNE-UHFFFAOYSA-N 321.340 3.187 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 95956159 WRHNODMTAJTULW-HZPDHXFCSA-N 302.349 3.035 0 40 DGAB COC(=O)c1cc2cc(CSCc3nnc(C)o3)ccc2o1 95965654 PKSXMSLVRMMMCT-UHFFFAOYSA-N 318.354 3.344 0 40 DGAB CO[C@H](C(=O)Nc1cc(CSC)ccn1)c1ccccc1 89407061 BXSGDLQERARBLR-HNNXBMFYSA-N 302.399 3.271 0 40 DGAB CCOCc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)cc1 89988668 GJUICDOVDQKCOF-ZDUSSCGKSA-N 306.406 3.160 0 40 DGAB CC(C)CCn1cc(C(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)nn1 89922488 JABOAVIOSARSES-YCPHGPKFSA-N 304.438 3.117 0 40 DGAB Cc1ccc(C2=Nn3c(nnc3C(F)(F)F)SC2)cc1C 27526355 NDGQOEORQSALJD-UHFFFAOYSA-N 312.320 3.272 0 40 DGAB CC(C)Cn1cc(I)c(COC(C)C)n1 408716541 NZMBNYIOSAVENL-UHFFFAOYSA-N 322.190 3.069 0 40 DGAB C[C@@H]1Cc2[nH]c(=S)n(CCc3ccccc3)c(=O)c2S1 26421966 YQZCLBMVHPCVIK-SNVBAGLBSA-N 304.440 3.185 0 40 DGAB O=C(Nc1nnc(-c2cc(Cl)sc2Cl)o1)C1CC1 35586431 UNFYWRCRONLPLK-UHFFFAOYSA-N 304.158 3.453 0 40 DGAB O=C(CCc1cccnc1)Nc1ccc(Nc2ncccn2)cc1 516706632 QTHVLAXBXNSBNM-UHFFFAOYSA-N 319.368 3.187 0 40 DGAB Cc1cc(C(=O)Nc2ccc3[nH]ccc3c2)n(C2CCOCC2)n1 527796243 MBRLEMOXVHBQEL-UHFFFAOYSA-N 324.384 3.277 0 40 DGAB CC(C)c1nnc(COc2cc(Cl)cc(CCO)c2)s1 530177782 UTYAQWJWDXHCIZ-UHFFFAOYSA-N 312.822 3.429 0 40 DGAB Cn1cc(CN2CC[C@H](Cc3cnc4ccccc4c3)C2)cn1 72368000 KIEFWYOWKACWRZ-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB CN(C)c1ccc(C2CCN(C(=O)Cc3ccccc3)CC2)nc1 72368669 MRCWXPWBXGUXAT-UHFFFAOYSA-N 323.440 3.096 0 40 DGAB CCC[C@@H](C)NC(=O)CCc1nc(-c2ccc(C)cc2)no1 72850817 GZXXMTMZNVSNPE-CYBMUJFWSA-N 301.390 3.282 0 40 DGAB CSCc1cccc(S(=O)(=O)Nc2ccc(C)cn2)c1 71195377 HEYMQSLLCSHLMG-UHFFFAOYSA-N 308.428 3.054 0 40 DGAB CCOc1ccccc1NC(=O)NCCc1ccccc1OC 40098768 POGXULMRLMWCTM-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB C[C@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccccn1 199423152 JLJXPAHASIMOFA-GFCCVEGCSA-N 315.348 3.214 0 40 DGAB CCOC(=O)c1c(C)nc(Br)n1Cc1ccccc1 96524080 GZVOSRCEIHUOLA-UHFFFAOYSA-N 323.190 3.179 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(c2ccncc2Cl)CC1 96453999 UIBVFPXNTQKRGZ-UHFFFAOYSA-N 311.813 3.229 0 40 DGAB CO[C@H](CNC(=O)Cc1ccc(F)cc1)c1ccc(C)s1 96104672 XRCJPJMCMVECHD-CQSZACIVSA-N 307.390 3.242 0 40 DGAB COC(=O)c1c[nH]nc1-c1ccc(C(=O)c2ccccc2)cc1 95117841 KJRBMCNVGXUHLO-UHFFFAOYSA-N 306.321 3.094 0 40 DGAB CS(=O)(=O)c1ccccc1N1CCC[C@@H]1c1ccsc1 97212913 NGLADBWHKGEOMA-CYBMUJFWSA-N 307.440 3.493 0 40 DGAB COc1ccc([C@H](N)c2n[nH]c(-c3ccccc3Cl)n2)cc1 95533712 BZFHUHKLVITKNM-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB O=C(c1cccs1)N(CCc1ccccc1)[C@H]1CCOC1 96460281 PPFRCEFCQWWVRH-HNNXBMFYSA-N 301.411 3.222 0 40 DGAB COC[C@H]1CN(CC2CC2)Cc2cn(CC3CCCC3)nc21 96059997 QGRTZCZNLAJJIB-QGZVFWFLSA-N 303.450 3.029 0 40 DGAB CCCN(C)c1ccc(C(=O)Nc2ccccc2C(=O)O)cc1 583651591 OWNLBNXEEOTJHX-UHFFFAOYSA-N 312.369 3.483 0 40 DGAB CCS[C@@H]1CC[C@@]1(O)CNC(=O)Nc1ccccc1Cl 96451121 AMYBGCIOCSCASK-TZMCWYRMSA-N 314.838 3.108 0 40 DGAB CC(C)(NC(=O)Nc1cc(Cl)ccc1Cl)c1cnn[nH]1 585119022 MYUNYCVIWPAKDF-UHFFFAOYSA-N 314.176 3.168 0 40 DGAB CCCn1cc(CN2CCC[C@H](Cc3nccs3)C2)cn1 257246475 IUGHUEUQRZZPJV-CQSZACIVSA-N 304.463 3.204 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3ccncn3)coc2c1 257264745 LVWRMLZYJKRHMK-KRWDZBQOSA-N 321.380 3.437 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@H](C)CN32)n1C 260786533 XZLCIGDEYJODPA-UHOFOFEASA-N 312.442 3.318 0 40 DGAB CC(C)c1ccc2c(c1)NC(=O)C[C@@H]1CCN(C)C[C@@H]1CCO2 1534646423 LEQZCTLHUMTDHI-HOTGVXAUSA-N 316.445 3.489 0 40 DGAB CCCCC[C@@H](O)CC(=O)O[C@H](CCCCC)CC(=O)O 216292417 ZDDYUVZDVHQVRW-ZIAGYGMSSA-N 302.411 3.285 0 40 DGAB biogenic,in-vitro CC(C)c1ccc(Cc2n[nH]c(NC(C)(C)C)nc2=O)cc1 5154557 YZWJRMNBXNEMEU-UHFFFAOYSA-N 300.406 3.090 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1C(=O)c1cccs1 12154817 SJYAWMHDJJJNBV-WCQYABFASA-N 324.409 3.001 0 40 DGAB COc1cc(NC(=O)c2c(F)cccc2F)cc(OC)c1OC 14473215 JTOGYLKRXDLNTL-UHFFFAOYSA-N 323.295 3.243 0 40 DGAB Fc1cccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)c1 19293791 VPBJLNQDQNDIIJ-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB c1ccc(Nc2noc3c2CN(Cc2cccnc2)CC3)cc1 19373022 LXNHFSXWGDLJPI-UHFFFAOYSA-N 306.369 3.372 0 40 DGAB COc1ccc2sc(NC(=O)c3ccc(F)c(C)n3)nc2c1 1888914140 RDVQOGCLMHBUSE-UHFFFAOYSA-N 317.345 3.400 0 40 DGAB Cc1cc2cc(CNC(=O)c3ccc4c(c3)OCO4)ccc2n1C 4056365 GCKARJNYMITDEE-UHFFFAOYSA-N 322.364 3.145 0 40 DGAB COc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1OC 8798694 JTKOVRSWAWWTKQ-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB Cc1ccc(OCC2CCN(CCc3ccccc3)CC2)nn1 1775966315 XSFPCEZAMQKHCZ-UHFFFAOYSA-N 311.429 3.119 0 40 DGAB Cc1cc(N2CCC(Oc3nccs3)CC2)nc(C2CC2)n1 2086882968 HJMWCIFKWPKPLY-UHFFFAOYSA-N 316.430 3.167 0 40 DGAB CCOc1ccc(NC(=O)NCc2cccnc2OCC)cc1 40095529 ZKRRHPCQDAGEKG-UHFFFAOYSA-N 315.373 3.201 0 40 DGAB CCN(CC)CCn1c(NC(=O)C(C)(C)C)nc2ccccc21 40160180 PPIYOOGUMYRYEJ-UHFFFAOYSA-N 316.449 3.363 0 40 DGAB COc1cccc2c1N(C(=O)c1ccc(Cl)nc1)CCC2 30576450 QWSNOZYRNRQVRN-UHFFFAOYSA-N 302.761 3.337 0 40 DGAB COc1ncccc1CNC(=O)Nc1ccc(F)cc1Cl 40525845 DAWNQWXSRLYNKQ-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3OC)C2=O)cc1 101130020 YCKZMZQMPQUGFI-OAHLLOKOSA-N 324.380 3.002 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)CSc2nccn2C2CC2)[C@@H]1C 11891577 DPVVSBKFYWLVNR-YRGRVCCFSA-N 307.463 3.251 0 40 DGAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)OC(C)C)cc1 135961 DDVHRCATRXRXNH-HZPDHXFCSA-N 317.385 3.168 0 40 DGAB CCc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)cc1 412586 NHJQYRUYZLPNLZ-UHFFFAOYSA-N 318.446 3.232 0 40 DGAB C[C@H](c1nc(C(C)(C)C)no1)N(C)CCOc1ccccc1 78777971 MJLOMHJFSMCJDR-CYBMUJFWSA-N 303.406 3.439 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@@H]1CCCc2[nH]ncc21 79098449 WWHHKNKYVRFVKC-CYBMUJFWSA-N 303.793 3.142 0 40 DGAB O=C(CSc1ccc(Br)cc1)N1CCCC1 3233408 ADMBYKCGULEMLT-UHFFFAOYSA-N 300.221 3.164 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CC[C@@H]2CCCC[C@H]2C1 21972756 LEYHMIKPSSGOAJ-HOTGVXAUSA-N 315.413 3.387 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3ccnn3C)n2)s1 2781756 HFIMMTFOYMADOA-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB Cc1cc(OCC(=O)NCc2ccccc2F)ccc1Cl 6260803 INDCCVVEPZJKLN-UHFFFAOYSA-N 307.752 3.483 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c1 6314261 DCCFKPUBTMZTPC-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB O=C(CCc1ccc(-c2ccccc2F)o1)NC[C@@H]1CCCO1 22620803 MWBKFZRNUSJFRN-AWEZNQCLSA-N 317.360 3.314 0 40 DGAB O=C(NCc1ccc(CO)c(F)c1)Nc1ccc(Cl)cc1 53756120 IZNVBIMQRWRZTQ-UHFFFAOYSA-N 308.740 3.293 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)c(C)c1 12348877 ZNCIVTKXDYPCOL-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cccc(OC)c1 1019358 XMOYXAUPRIXQJU-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CC[C@H](Nc1ccc2oc(C)nc2c1)C(=O)Nc1cc(C)on1 24977222 DLDTWIXRZNWXOB-LBPRGKRZSA-N 314.345 3.262 0 40 DGAB COc1nc(C)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1 1403028 ZZQGBMFNNOXXGJ-UHFFFAOYSA-N 311.790 3.193 0 40 DGAB CC(C)(CNC(=O)c1ccsc1)N1CCc2ccccc2C1 25462118 FVRLRWKZUBQLSI-UHFFFAOYSA-N 314.454 3.315 0 40 DGAB CCCCN1C(=O)N[C@H](c2cccc(F)c2)C(C(=O)OC)=C1C 25671526 ZMLCRQWPYNKETD-OAHLLOKOSA-N 320.364 3.139 0 40 DGAB CCOC(=O)c1cnc(S[C@H](C)c2ccccc2)nc1N 12557354 BUKCWEZBWJZOGK-SNVBAGLBSA-N 303.387 3.089 0 40 DGAB C[C@@H]1OCC[C@@H]1C(=O)N[C@H](c1c(F)cccc1F)C(F)(F)F 108494326 QRAHPGKXCTVERX-YVZVNANGSA-N 323.261 3.109 0 40 DGAB COc1ccccc1CN(C)C(=O)c1cc(-c2ccccc2)[nH]n1 12550977 NMHFBMXPQYFZQR-UHFFFAOYSA-N 321.380 3.358 0 40 DGAB C[C@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccncc1 58291846 FIYCTEQIWZNWGV-ZDUSSCGKSA-N 304.353 3.030 0 40 DGAB COc1ccc(C(=O)COC(=O)/C=C/c2ccc(F)cc2)cc1 3290687 ZPRCEIVSEZCKRH-NYYWCZLTSA-N 314.312 3.274 0 40 DGAB CCCc1cc(C(=O)N[C@H](C)c2nnc3n2CCC3)sc1C 44934433 GCVYPTNXEZGYQK-SNVBAGLBSA-N 318.446 3.038 0 40 DGAB CC(C)c1cc(C(=O)NCCc2nc3ccccc3s2)n[nH]1 44949165 KZLPWAHMWLAUQM-UHFFFAOYSA-N 314.414 3.115 0 40 DGAB CSc1cccc(NC(=O)COC(=O)Cc2cccs2)c1 10530701 WYGSMGIPBLUZCM-UHFFFAOYSA-N 321.423 3.194 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)CC[C@H]1CCOC1 97145697 VYBZCMLQCCTPIN-HOCLYGCPSA-N 317.429 3.048 0 40 DGAB NC(=O)c1c(F)cccc1OCc1csc(-c2ccoc2)n1 97115401 VCAPXPMRAOFVBO-UHFFFAOYSA-N 318.329 3.220 0 40 DGAB Cc1c(C)n(C[C@H](O)CNCc2ccco2)c2ccc(F)cc12 28297184 LBQVPLSLINQRDH-OAHLLOKOSA-N 316.376 3.141 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](n2ccnc2)C1 69901818 ONCLPYLRUDWEAL-INIZCTEOSA-N 322.412 3.161 0 40 DGAB CN(C(=O)/C=C/c1ccc(N2CCCC2=O)cc1)c1ccccc1 12989877 NOYJPXQDIDAPFW-SDNWHVSQSA-N 320.392 3.490 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131339 ZYCRFNBVBFCKCD-JKSUJKDBSA-N 323.375 3.454 0 40 DGAB CCn1cc(Cl)c(C(=O)N[C@H]2CCCc3ccccc32)n1 28222894 MYQHVTHUPGJPAW-AWEZNQCLSA-N 303.793 3.364 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc(OCC)cc2)c1 13624215 PWZVXYNNHSUDKX-UHFFFAOYSA-N 312.369 3.087 0 40 DGAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCc2ccccc21 6013203 MJUIHZFUTQLZFR-AYJWMTRPSA-N 321.376 3.221 0 40 DGAB Cn1ncc2c(NCc3ccccc3)nc(NC3CCCC3)nc21 4374940 ULHKNBMZCOARQT-UHFFFAOYSA-N 322.416 3.330 0 40 DGAB CC(C)Cn1ccc2cc(NC(=O)c3cccc[n+]3[O-])ccc21 65477502 GEQCZGBVNCLGIY-UHFFFAOYSA-N 309.369 3.183 0 40 DGAB CCc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 14022440 VTZMXTBTPOOWIV-NSHDSACASA-N 310.353 3.221 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cnn(Cc2ccccc2)c1 65522973 LTNGWQWETGHONB-GFCCVEGCSA-N 324.384 3.278 0 40 DGAB CCOCCCC(=O)Nc1ccc(Sc2nncs2)cc1 65576308 BJCPAAHRFBMRAX-UHFFFAOYSA-N 323.443 3.445 0 40 DGAB CCCN1CCC(CNC(=O)Nc2cccc(C(C)=O)c2)CC1 65535460 DVICSBQCUIRSMA-UHFFFAOYSA-N 317.433 3.133 0 40 DGAB O=C(Nc1cccnc1Cl)N(Cc1ccccn1)C1CC1 65772081 UMINSQWYWRAOTB-UHFFFAOYSA-N 302.765 3.327 0 40 DGAB CCN(CC)CCCNC(=O)c1ccc(C(F)(F)F)cc1 4680894 NIVOJFZXIIIWJD-UHFFFAOYSA-N 302.340 3.167 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)Oc1ccccc1 7657770 VJNQZAXTFDIVGE-UHFFFAOYSA-N 303.745 3.066 0 40 DGAB C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1cc2ccccc2o1 8237495 FIHICPIGXXSVFH-CYBMUJFWSA-N 322.364 3.040 0 40 DGAB CC[C@H](C)C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 69368593 SPMHVGKMXISKCK-LBPRGKRZSA-N 302.374 3.055 0 40 DGAB Cc1nc(-c2ccco2)ccc1C(=O)N(C)Cc1ccccn1 69488230 ZUEWSYLUGGWACL-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB CCCN1CCN[C@H](Cc2ccc(-c3cccs3)cc2)C1=O 72352732 KLDYFHBKLFIONQ-MRXNPFEDSA-N 314.454 3.168 0 40 DGAB CCOc1cccc(CNC(=O)c2cc(OC)cc(OC)c2)c1 20490703 CDDZOLGUMQRVSN-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB Cc1cccc(C(=O)NCC(=O)N2CCC[C@H]2c2ccccc2)c1 9895387 WJUHSPLIMCBFAJ-SFHVURJKSA-N 322.408 3.089 0 40 DGAB Cc1c(C(=O)OC[C@@H]2CC=CC[C@H]2C)cnn1C1CCOCC1 97032289 JSTYXCZQXMJZAS-HIFRSBDPSA-N 318.417 3.302 0 40 DGAB Cc1ccccc1[C@H](C)CC(=O)NC1CCN(CC(F)F)CC1 72286494 KROMHDGLYMWGLR-CQSZACIVSA-N 324.415 3.334 0 40 DGAB CCOc1cccc([C@@H]2C[C@@H]2Nc2cc(-n3ccnc3)ncn2)c1 95463042 RDCJETLOISJFHF-HOTGVXAUSA-N 321.384 3.029 0 40 DGAB O=c1c(Sc2nnc(C3CCCCC3)o2)nccn1C1CC1 95990514 ZOCJAUNJRUCZMJ-UHFFFAOYSA-N 318.402 3.160 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1ccc(N(C)C)nc1 95963415 KJFZHYJSYWPVSM-CQSZACIVSA-N 317.364 3.083 0 40 DGAB Cc1ccc(NC(=O)CCN[C@@H](C)c2cnccn2)c(Cl)c1 89669759 YIAQBPXAIZAHCZ-LBPRGKRZSA-N 318.808 3.118 0 40 DGAB C[C@@H](O)C[C@@H](CNC(=O)c1cccc2[nH]ccc12)c1ccccc1 89894877 PUXXLLFFTCWBIY-ZBFHGGJFSA-N 322.408 3.452 0 40 DGAB Cc1nn(C)cc1C(=O)N1CCCC[C@@H]1CCc1ccccc1 89880079 YWIXUKZKZJHFGY-QGZVFWFLSA-N 311.429 3.356 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)NC1CCCCCCC1 409003556 SPNLNUYJZDKMRK-INIZCTEOSA-N 324.465 3.473 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2csc(C3CC3)n2)CC1 1004021493 WOWBVYXFBIDEKL-UHFFFAOYSA-N 321.490 3.147 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccc(Cl)cc2)C1=O 409239328 MUNVGTWURRIATE-FMIVXFBMSA-N 311.790 3.413 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)c1ccccc1 189776591 YMGOETLNDBSKLR-PVAVHDDUSA-N 304.434 3.234 0 40 DGAB CC(C)OC1CCN(C(=O)c2ncoc2-c2cccs2)CC1 78659309 KHBRVTBVTKZMCU-UHFFFAOYSA-N 320.414 3.433 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC(=O)[C@@H]2O 4429081 HYTUXCLDWATLGA-SMYFESCOSA-N 300.398 3.091 0 40 DGAB biogenic,in-vitro C[C@@H]1CC[C@@H](CCC(=O)NC2(c3nccs3)CCCC2)O1 75200685 HNVHGPHFCJYLQF-OLZOCXBDSA-N 308.447 3.376 0 40 DGAB CCN(CCNC(=O)c1cccc(F)c1)c1ccc(C)cc1 224959686 HLPRMHGUOYJLNR-UHFFFAOYSA-N 300.377 3.390 0 40 DGAB Cc1ccc(C)n1CCCC(=O)N1CCn2c1nc1ccccc12 49031035 ZYDAKOQNANNNHR-UHFFFAOYSA-N 322.412 3.282 0 40 DGAB CCOc1ccc(NC(=O)C2(OCC)CCC(C)CC2)cn1 225901522 AWFUPEOAYZYNSZ-UHFFFAOYSA-N 306.406 3.404 0 40 DGAB C[C@]1(C(=O)Nc2ccccc2)Oc2ccc(Cl)cc2NC1=O 41549725 IDTDPYGWSUQXAL-MRXNPFEDSA-N 316.744 3.068 0 40 DGAB CCSc1ccccc1NS(=O)(=O)c1c(C)noc1C 48655646 MGXZVAJICNKTKL-UHFFFAOYSA-N 312.416 3.204 0 40 DGAB Cc1[nH]c2ccc(C(=O)NCc3ccnc(N(C)C)c3)cc2c1C 48324305 LBSHKSDCNPFMJP-UHFFFAOYSA-N 322.412 3.176 0 40 DGAB CSc1ccccc1C(=O)NC[C@@H](C)N1CCC[C@@H](C)C1 195529030 CBZLHTBNBZYFFM-ZIAGYGMSSA-N 306.475 3.259 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@H](C)Cc1cccs1 96439798 MJXIXFWRXGLPMO-VXGBXAGGSA-N 320.462 3.029 0 40 DGAB CC[C@](Cl)([C@@H](O)c1cccc(Cl)c1)S(=O)(=O)CC 96520678 QIRYJGCOFSMUMQ-NWDGAFQWSA-N 311.230 3.153 0 40 DGAB COC[C@@H](NC(=O)Nc1cccc(Cl)c1OC)c1ccco1 96445913 QNIAGNGVLHKDLV-GFCCVEGCSA-N 324.764 3.451 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)c1c(C)noc1C 97379255 MBIWWCIKVVYUJG-AWEZNQCLSA-N 314.385 3.150 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)CC1 248159562 KKNUIEMOCVUUHO-FHERZECASA-N 322.493 3.355 0 40 DGAB CN(CCc1nc2ccccc2[nH]1)Cc1ccncc1Cl 585133837 XDQSLIWIXJGLPB-UHFFFAOYSA-N 300.793 3.286 0 40 DGAB Cc1noc(C)c1-c1nccc([C@@H]2CCCN2C(=O)C(C)C)n1 257295042 QWROCSHJMJUCQH-AWEZNQCLSA-N 314.389 3.068 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)/C=C/c2ccccc2)nc(C)n1 257300261 RTQXVCFPVYWYNN-SXSDINLZSA-N 322.412 3.204 0 40 DGAB CCCNc1ccc(CNC(=O)N2CC[C@H](OC)C[C@H]2C)cc1 282426968 MHVWCXPEDHESBI-PBHICJAKSA-N 319.449 3.217 0 40 DGAB CCCCn1cc(CNC(=O)c2cccc(F)c2F)c(C)n1 390833206 DOAUYDKBWUNCOU-UHFFFAOYSA-N 307.344 3.200 0 40 DGAB CNC(=O)c1cnc(/C=C/c2cccc(OC3CC3)c2F)s1 585091661 JLXSKQKYWIXKTC-VMPITWQZSA-N 318.373 3.353 0 40 DGAB O=C(NCc1cscn1)N1CCC[C@H]1Cc1ccc(F)cc1 51309179 ZKRVFGRTBKTDHO-HNNXBMFYSA-N 319.405 3.199 0 40 DGAB COc1cccc(C[C@H](C)NCc2ccc([S@](C)=O)cc2)c1 85323760 GVRYQWPBLPZBOW-RCDICMHDSA-N 317.454 3.153 0 40 DGAB CO[C@@H](C)c1noc(CN[C@H](C)c2ccc(Cl)s2)n1 97111494 CHPPKYUFZPWVQF-SFYZADRCSA-N 301.799 3.343 0 40 DGAB O=C(/C=C/c1cccc(Oc2ccccc2)c1)N1CCOCC1 44736 OVKIOBBOKRCVML-MDZDMXLPSA-N 309.365 3.351 0 40 DGAB Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)cc1C 11901503 SGTOMBQRASTESZ-UHFFFAOYSA-N 315.438 3.314 0 40 DGAB COc1ccc(NC(=O)C2(c3ccc(Cl)cc3)CC2)cn1 17296419 FMVYRZOPEPNMPG-UHFFFAOYSA-N 302.761 3.414 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc3ncccc13)OC2=O 100261021 NVVWRZKRZBBMTF-RTBURBONSA-N 324.380 3.295 0 40 DGAB C[C@@H](C1CC1)n1cc(NC(=O)N(C)C2Cc3ccccc3C2)cn1 548000104 ZVUIDNRVDBAEOZ-ZDUSSCGKSA-N 324.428 3.485 0 40 DGAB O=C(c1ccncc1)N1CCC[C@@H](n2cnc3cc(F)ccc32)C1 13266662 XYZTVVOUHHAXRW-OAHLLOKOSA-N 324.359 3.048 0 40 DGAB Cc1ccnc(N2CC(n3c(C(C)C)nc4ccccc43)C2)n1 1888879342 WWTFKAVWNJWBCC-UHFFFAOYSA-N 307.401 3.319 0 40 DGAB COc1ccccc1CN1CC[C@H](COc2ccc(F)cn2)C1 1889130558 KTRXZUKQWJDUSE-AWEZNQCLSA-N 316.376 3.130 0 40 DGAB C[C@@H]1c2cccn2CCN1Cc1cncc(Br)c1 29706389 SANFBPWPAHJMEM-LLVKDONJSA-N 306.207 3.222 0 40 DGAB O=C(O)[C@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 35296675 ACHLCJOSTFGOND-JTQLQIEISA-N 308.428 3.168 0 40 DGAB O=C(Nc1nc(-c2cc3ccccc3oc2=O)cs1)C1CC1 1518690 FSWPZKMGYFIITA-UHFFFAOYSA-N 312.350 3.265 0 40 DGAB CC(=O)N1CCCc2ccc(NC(=O)COc3ccccc3)cc21 5154228 BDHQDXNICCAPEO-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB O=C(NC[C@H](c1ccsc1)n1cccn1)[C@H]1CC=CCC1 575612436 AFTWOHJFDGNPMN-DZGCQCFKSA-N 301.415 3.007 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(OCC)cc2)cc1 4662692 IZKLZLQYHOLEBU-UHFFFAOYSA-N 321.398 3.285 0 40 DGAB COc1cccc(NC(=O)Cc2cnn(-c3ccccc3)c2)c1 14898323 FCIXYTNRQCLPRB-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB C[C@@H]1CN(Cc2csc(Nc3ccccc3)n2)C[C@@H](C)O1 24529036 ALTOSZLWPBXEHC-CHWSQXEVSA-N 303.431 3.496 0 40 DGAB CCOC1CCN(C(=O)N[C@@H](C)Cc2cccc(Cl)c2)CC1 50151468 XRMRAHNTISYESD-ZDUSSCGKSA-N 324.852 3.482 0 40 DGAB CSc1nsc(SC)c1NC(=O)OC[C@@H]1CCCO1 132810 SSUXGGWLCQCSGP-ZETCQYMHSA-N 320.461 3.314 0 40 DGAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)c1ccco1 31961274 ALZIRHDSDWPLIJ-UHFFFAOYSA-N 319.382 3.248 0 40 DGAB CCC[C@H](C)NC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 20865056 HKDJNFSQWPMTDU-NEPJUHHUSA-N 323.458 3.335 0 40 DGAB O=C(CSCc1nc2ccccc2[nH]1)NCc1ccccc1 381925 AOCKZDDSBKDCFZ-UHFFFAOYSA-N 311.410 3.113 0 40 DGAB O=C(NCc1ccco1)c1cnn(-c2ccccc2)c1C1CC1 32765492 WMVLPTSWYSBEHC-UHFFFAOYSA-N 307.353 3.273 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2noc3ccccc23)cc1C 32753759 SJOCFZRCZCROLH-UHFFFAOYSA-N 323.352 3.276 0 40 DGAB NC(=O)c1ccc(C(=O)Nc2ccccc2N2CCCCC2)cc1 32898435 WEUYPTGUOFXHRN-UHFFFAOYSA-N 323.396 3.028 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H]2CCCC[C@@H]21 46486211 NNGCHLICYWRWNL-ZWKOTPCHSA-N 312.413 3.271 0 40 DGAB CN(C)CCOC(=O)C(C)(C)Sc1ccc(Cl)cc1 1610200 QGZCHIXCLNZUCJ-UHFFFAOYSA-N 301.839 3.316 0 40 DGAB COc1ccc(OCC(=O)Nc2ccc(OC)c(Cl)c2)cc1 3606937 GZAPHXQBZWCTGH-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB c1ccc(OCc2nn3c(-c4ccccc4)nnc3s2)cc1 529581 JBBHXXMWRDMODG-UHFFFAOYSA-N 308.366 3.432 0 40 DGAB COc1ccccc1COC[C@H](O)CN[C@H](C)CCCC(C)C 6906665 JBBDURRRSRDHQN-SJLPKXTDSA-N 323.477 3.377 0 40 DGAB CC(C)S(=O)(=O)NCc1cccc(Oc2ccccc2)c1 53666881 FFDBJMXRGFIGHI-UHFFFAOYSA-N 305.399 3.307 0 40 DGAB COc1ccc(NC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1 8064281 KALPWXDAOWEZNC-UHFFFAOYSA-N 313.357 3.041 0 40 DGAB COc1cccc(C2(c3nc([C@@H]4CCOC4)no3)CCCC2)c1 83970561 CBEFLMQVRYVXTD-CYBMUJFWSA-N 314.385 3.442 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1 12581511 RVGWEBKJALDEEA-UHFFFAOYSA-N 321.380 3.397 0 40 DGAB CCNC(=O)NCc1ccnc(Oc2ccc(OCC)cc2)c1 55338027 DFWPROBFRXAFIB-UHFFFAOYSA-N 315.373 3.092 0 40 DGAB COC(=O)[C@@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C 1389522 QPCUCFVGBAHPGL-LLVKDONJSA-N 318.200 3.311 0 40 DGAB COc1ccc(OC[C@@H]2[C@H]3CC[C@@H](C3)N2C(=O)C(C)C)cc1 100113890 IINRNKLFRNRMKT-GRDNDAEWSA-N 303.402 3.110 0 40 DGAB C[C@@H]1CCCCN1C(=O)NCCCn1cnc2ccccc21 43858131 CJAGYAQNQXOWNF-CQSZACIVSA-N 300.406 3.010 0 40 DGAB Cc1ccc(CNC(=O)Nc2cccc(-c3nnco3)c2)cc1 44087313 AHJVPEFOGYOCHR-UHFFFAOYSA-N 308.341 3.367 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)NC1C[C@@H](C)O[C@H](C)C1 108152165 PNQFKIAOLALCSC-UTUOFQBUSA-N 311.809 3.180 0 40 DGAB COC(=O)c1ccc(NC(=O)N[C@H](C)c2cccs2)cc1 48006829 LUDVGGYGVZBBBA-SNVBAGLBSA-N 304.371 3.417 0 40 DGAB Cc1cc(NC(=O)Nc2ccc([S@](C)=O)c(F)c2)ccc1O 97104818 XVJIWNQTACCZHY-JOCHJYFZSA-N 322.361 3.221 0 40 DGAB Cc1csc(=O)n1CCN1CCC[C@H]1CCc1ccccc1 48251940 PQFMHRZBPCURKU-KRWDZBQOSA-N 316.470 3.315 0 40 DGAB COc1ccc(C(N)=O)c(OCc2c(F)cccc2Cl)c1 48254053 YTEIICAWINZLFG-UHFFFAOYSA-N 309.724 3.166 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)CN1CCc2sccc2C1 10093576 VCJIZGGASSOYCL-CQSZACIVSA-N 314.454 3.292 0 40 DGAB Cc1cc(Nc2cccc([C@H](C)O)c2)nc(-n2nc(C)cc2C)n1 10215019 HZTKRXPHSYIMFE-AWEZNQCLSA-N 323.400 3.384 0 40 DGAB Cc1ccoc1C(=O)N1CCN(Cc2cccc(Cl)c2)CC1 23639920 HAGTWMXLWHYFJR-UHFFFAOYSA-N 318.804 3.199 0 40 DGAB Cc1nc(CCNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cs1 27988660 DGTGOGMDPJDILU-CYBMUJFWSA-N 318.442 3.195 0 40 DGAB Cc1cc(C(=O)c2ccc(I)cc2)ccn1 45038497 HWPJATZUQHEQSQ-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB O=c1[nH]c(Nc2ccccc2)nc2nccc(-c3ccccn3)c12 36357388 UTXJKMQWTBGCLQ-UHFFFAOYSA-N 315.336 3.124 0 40 DGAB Cc1oc(C)c(C(=O)NCc2ccccc2CN(C)C)c1C 25395428 WGFFTBGGFMFIAJ-UHFFFAOYSA-N 300.402 3.196 0 40 DGAB Cc1ccccc1CN(C)[C@H](C)C(=O)NCc1cccs1 12902152 WONXGNOVTWGHNX-CQSZACIVSA-N 302.443 3.193 0 40 DGAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccccc1F 12975574 AJRSSDUFALFOMJ-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@@H](c1ccco1)C2 4488752 CRDVVPPDJUZPSG-NSHDSACASA-N 301.342 3.396 0 40 DGAB CC(C)COC[C@H](NC(=O)Nc1ccncc1)c1ccco1 65537628 RINUGGYHQINFBP-AWEZNQCLSA-N 303.362 3.210 0 40 DGAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@@H](C)C2)cc1 14139439 MXAWRYWCLSYROU-QFBILLFUSA-N 324.424 3.396 0 40 DGAB O=C(CCOc1cccc(Br)c1)NCc1ccco1 6649219 IAWLZGSOYIDRBE-UHFFFAOYSA-N 324.174 3.127 0 40 DGAB Cc1cc(C)c2c(n1)oc1c(NCc3ccccn3)ncnc12 6719058 AUAFLHRIYAHHHQ-UHFFFAOYSA-N 305.341 3.395 0 40 DGAB Cc1nc(NC(=O)c2cccs2)nc(C)c1Br 5724359 IERYGESLBYDWGK-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB O=C1N/C(=C/c2cccc(Cl)c2)C(=O)N1Cc1ccccc1 409207675 XAQLKTUQQRYFHG-XNTDXEJSSA-N 312.756 3.433 0 40 DGAB COc1cc(C=O)ccc1Cn1nc(C)c(Br)c1C 5921325 KJOWZCODHHRRJU-UHFFFAOYSA-N 323.190 3.132 0 40 DGAB O=C(/C=C/c1cccs1)Nc1cccc(C(=O)NC2CC2)c1 16173237 YXOZDVWXHYNMGJ-CMDGGOBGSA-N 312.394 3.292 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)Nc1nc2ccccc2[nH]1 16493349 IPKXDUIKLLCOLY-UHFFFAOYSA-N 305.341 3.011 0 40 DGAB CC[C@H](CSC)N(C)C(=O)Nc1cc(C2CCC2)nn1C 91181043 RHTAMPUKBICZAC-GFCCVEGCSA-N 310.467 3.293 0 40 DGAB Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)s1 69162799 DECHGQUWZHQZNF-MRXNPFEDSA-N 318.417 3.305 0 40 DGAB CCCOc1ccc(NC(=O)c2cnn(C)c2)cc1OCCC 8247935 UZXSDZPVMOVEKQ-UHFFFAOYSA-N 317.389 3.250 0 40 DGAB COc1ccc(CC(=O)Nc2cnc(-c3ccccc3)nc2)cc1 9451647 YKABTILXLYHEDF-UHFFFAOYSA-N 319.364 3.333 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2ccc(-c3ccccc3)cn2)cn1 69511687 QDWNKPDLJRLGET-JXMROGBWSA-N 304.353 3.134 0 40 DGAB Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@H]3n3ccnc3)c[nH]c2c1 69654696 HICMIDBOIJNDIT-SJLPKXTDSA-N 322.412 3.125 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](O)c1ccc(Br)cc1 8699514 CHWSLNCYQOYQKD-NSHDSACASA-N 316.195 3.007 0 40 DGAB CCCOc1cccc(NC2CCN(C(=O)N(C)C)CC2)c1 97033006 OGNQCCKWDQLIMT-UHFFFAOYSA-N 305.422 3.033 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@@H]3CCOC3)s2)o1 97081309 MOIGLTGAVQAMOI-NWDGAFQWSA-N 305.399 3.471 0 40 DGAB CC[C@](C)(CC(=O)O)NC(=O)[C@@H](C)c1cc2ccccc2o1 97035681 OHIZMPYOYNXMHC-APPDUMDISA-N 303.358 3.296 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)C[C@H]3C=CCC3)C2)no1 72232171 YFKBEIPESHYBFA-KBPBESRZSA-N 303.406 3.255 0 40 DGAB CC(=O)NC(C)(C)c1noc(C[C@@H]2CCCc3ccccc32)n1 72547837 KRPZHFWGMIBNRS-AWEZNQCLSA-N 313.401 3.103 0 40 DGAB C[C@@H](C(=O)N1CCC[C@H]1c1noc(C2CC2)n1)c1ccsc1 84667435 KHWCPHXDTHUITJ-MFKMUULPSA-N 317.414 3.476 0 40 DGAB COc1ccc([C@H](O)CN[C@@H]2CCc3ccc(F)cc32)cc1 95419746 NXBGJBMPCOUXPW-QZTJIDSGSA-N 301.361 3.145 0 40 DGAB Cc1cc(CC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)n[nH]1 95427295 LELUHHCJKQQSNX-LPHOPBHVSA-N 309.413 3.189 0 40 DGAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2cc(C)on2)cc1 98014121 SZBACGPWDSXYKL-DOTOQJQBSA-N 314.385 3.189 0 40 DGAB CN(Cc1nc(N)c2ccccc2n1)Cc1ccc(F)cc1F 95947984 FRGXUYQBFAEWTR-UHFFFAOYSA-N 314.339 3.122 0 40 DGAB Cc1cscc1C(=O)Nc1ccccc1O[C@H]1CCOC1 89708920 LQRPONMXABRVCW-LBPRGKRZSA-N 303.383 3.477 0 40 DGAB O=C(NCCc1cscn1)NCc1csc2ccccc12 89866688 MBBACCKGJZREBS-UHFFFAOYSA-N 317.439 3.400 0 40 DGAB CCC[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccc(F)cc1F 89949736 ZAEMJLXBMVKZBZ-NORZTCDRSA-N 324.371 3.042 0 40 DGAB CCCOCc1c(Br)cnn1CC(F)(F)F 408715403 BDJWBWRIXHHDCC-UHFFFAOYSA-N 301.106 3.135 0 40 DGAB O=C([C@H]1C[C@H]1c1ccco1)N(CC(F)(F)F)c1ccccn1 60350760 SMJBGRBMHWYIAT-MNOVXSKESA-N 310.275 3.374 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)c3ccsc3)c2c1 34192560 GYUKDTWOBVFFLU-UHFFFAOYSA-N 300.383 3.211 0 40 DGAB CSc1cccc(C(=O)N2CCC[C@H](c3cnn(C)c3)C2)c1 649444863 XAIBGJXQVTXZJT-AWEZNQCLSA-N 315.442 3.162 0 40 DGAB CC(C)c1ccc(NS(=O)(=O)c2cnn(C(C)C)c2)cc1 72239268 KFPWPOXLVLEQJN-UHFFFAOYSA-N 307.419 3.388 0 40 DGAB Cc1n[nH]c(C)c1C(=O)N1CCS[C@@H](c2cccs2)CC1 219521675 SABBPAXODKSXER-CYBMUJFWSA-N 321.471 3.408 0 40 DGAB O=C1c2ccccc2CN1C1(CC(=O)n2ccnc2)CCCCC1 1565524516 JHRDFNCBBARRSD-UHFFFAOYSA-N 323.396 3.272 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCCCc2ccccc2)c1 38756473 SKDIFPFFZBCLSJ-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB O=C(c1ccccc1OC(F)(F)F)N1CCOc2ccncc21 180237044 NDECPPJCCLYBKD-UHFFFAOYSA-N 324.258 3.019 0 40 DGAB N[C@@H]1C(=O)N(Cc2ccc(OC(F)(F)F)cc2)c2ccccc21 40162825 SSPLHBMUYGJYBI-AWEZNQCLSA-N 322.286 3.132 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2CNC(=O)OC(C)(C)C)c(C)o1 81342295 YBNURKMSZQGWCD-CYBMUJFWSA-N 322.405 3.026 0 40 DGAB Fc1cc(C(F)(F)F)ccc1-c1noc(C2CCNCC2)n1 199783295 VNCAFHQXBWSBCF-UHFFFAOYSA-N 315.270 3.362 0 40 DGAB C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@H]1COc2ccccc21 225626580 ZIZRYZUAKOENEV-KCQAQPDRSA-N 320.458 3.088 0 40 DGAB C[C@H](CNC(=O)CCc1cscn1)Oc1ccc(Cl)cc1 81349640 SHIJMQTVDMMFAC-LLVKDONJSA-N 324.833 3.313 0 40 DGAB CSC[C@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 96432072 JUYRAROOJIIQRL-QWHCGFSZSA-N 303.431 3.049 0 40 DGAB O=C([C@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(Oc2cccnc2)CC1 247952094 TXZFJCDKFITFOC-FHLIZLRMSA-N 324.424 3.054 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3ccsc3)C2)c1 257236359 HBUCYDMCMFFFRM-LBPRGKRZSA-N 301.415 3.123 0 40 DGAB Cc1cnc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)cn1 257339492 ZBZAUJLXLRHTJZ-INIZCTEOSA-N 318.424 3.398 0 40 DGAB Cc1csc(Nc2cc([C@@H]3CCN(C(C)C)C3)nc(C)n2)n1 257324810 WQGYILAFOXRWSV-CYBMUJFWSA-N 317.462 3.491 0 40 DGAB CCc1noc([C@@H](C)N2CCC(CN3CCCCCC3)CC2)n1 51793691 GYTPDHFXJZIUNR-OAHLLOKOSA-N 320.481 3.281 0 40 DGAB COc1cc(-c2ccccc2)sc1C(=O)Nc1cnn(C)c1 56915749 OBNKVZBXOFJOOT-UHFFFAOYSA-N 313.382 3.410 0 40 DGAB CC(=O)c1cc(C(=O)N(C)CCOc2ccccc2)cs1 12325388 AIJAXGHVSUQTBK-UHFFFAOYSA-N 303.383 3.102 0 40 DGAB Cc1ccc(/C=C/C(=O)NCCCN2CCCCCC2)cc1 13669959 PNNWHGKYQGGHDC-VAWYXSNFSA-N 300.446 3.391 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 17054262 YWWOLPZOUCIVNW-JLLWLGSASA-N 317.355 3.466 0 40 DGAB CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2ccn(C)n2)no1 19452730 KBAAXXRJEBLLTN-HNNXBMFYSA-N 316.405 3.289 0 40 DGAB C[C@@H](Nc1cccc(C(N)=O)c1)c1nnc(-c2ccccc2)o1 9866908 XNIFLPCITCSGMY-LLVKDONJSA-N 308.341 3.009 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)c2sccc2C)c1 3317266 MBZQGOCJDBOTSP-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB Cc1cc(NC(=O)c2cc(C)c(F)cn2)n(-c2ccccc2)n1 1888913967 INCOBPQWSHTOHQ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CC[C@@H](C)N1CCC(Cn2cnc3cc(F)ccc3c2=O)CC1 1848877445 GOQVRRMIHRFWNK-CYBMUJFWSA-N 317.408 3.046 0 40 DGAB C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1cc2ccccc2o1 29010781 KXIHXGDYXGUWMP-UBHSHLNASA-N 313.353 3.277 0 40 DGAB CN(C)[C@H](CNC(=O)CCCc1ccccc1)c1ccsc1 38673272 CLFKSIZKBRZGFJ-QGZVFWFLSA-N 316.470 3.490 0 40 DGAB O=c1[nH]c(CSc2nc3ccccc3[nH]2)nc2ccccc12 1425725 FTZRYSJAKLDQLY-UHFFFAOYSA-N 308.366 3.092 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccccc1F)c1ccc(Cl)cc1 3627769 LVMYBRQNWAMAOA-CQSZACIVSA-N 321.735 3.425 0 40 DGAB O=C(COc1ccc(F)cc1)OCc1cc(-c2ccco2)on1 7289902 HCGLHCYQOOZGNB-UHFFFAOYSA-N 317.272 3.196 0 40 DGAB Cc1cc(NCCc2ccccc2)n2nc(C(F)(F)F)nc2n1 12421733 WZKYPFWTPDNFNH-UHFFFAOYSA-N 321.306 3.106 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)c3ccccc3Cl)ccc21 16916537 XLGVVFWMRWVUKI-UHFFFAOYSA-N 300.745 3.111 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccc3ccccc3c2)C1)C1CC1 1006525545 ZEKVSLQUMJUEAF-LJQANCHMSA-N 308.425 3.330 0 40 DGAB O=C(NC1CC1)c1ccc(-c2ccc3c(c2)OCCO3)s1 24349857 HKINXDYIPMOOFK-UHFFFAOYSA-N 301.367 3.079 0 40 DGAB Clc1ccc([C@@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 100622318 NERZDJSPDHYRQR-HNNXBMFYSA-N 309.760 3.383 0 40 DGAB COC(=O)c1ccc(COc2ccc(Br)cc2)o1 373764 QCQFRSSEHASBBM-UHFFFAOYSA-N 311.131 3.408 0 40 DGAB CCOC(=O)[C@@H](C)Oc1ccc2c(C)c(CC)c(=O)oc2c1C 383174 OKKLBNUKEDLFMD-GFCCVEGCSA-N 318.369 3.303 0 40 DGAB CCOC(=O)c1ccc(OC(=O)C2CCCCC2)c(OC)c1 365573 IYXQCKZOXCMNSV-UHFFFAOYSA-N 306.358 3.358 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 192165 QVEPPJSPKBUSKX-UHFFFAOYSA-N 300.383 3.477 0 40 DGAB Cc1csc([C@@H](NC(=O)NCc2c(C)noc2C)C2CC2)n1 76086401 MBLRNRACDCYVLY-ZDUSSCGKSA-N 320.418 3.007 0 40 DGAB CC(C)CNC(=O)CN1C[C@@H]2CCCC[C@@]21c1ccccc1 79103703 DMXWLEXAWLMSNQ-PKOBYXMFSA-N 300.446 3.160 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 4104752 SOQWQZZNPGBTQR-RQOCCLJPSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro Cc1c(Cl)cccc1NC(=O)COc1cccc(C=O)c1 4201587 ZDGWMFOBCUGAET-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3ccc(C)s3)C2=O)cc1 558950 VBPGJVNNPSSGMM-OQLLNIDSSA-N 312.394 3.458 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCCC1 10279867 QCRCBSHTEARHBV-CQSZACIVSA-N 324.852 3.100 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)N[C@H](C)c1ccc(F)cc1 46884692 ASSZQZPNMFQKMY-SNVBAGLBSA-N 305.353 3.333 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(OC(C)C)nc2)on1 53402516 OAHNSZBAPCTGSF-CQSZACIVSA-N 315.373 3.143 0 40 DGAB O=C(CSc1cnc2ccccc2n1)OCc1ccccc1 22614850 HQXQXGURXUEKNG-UHFFFAOYSA-N 310.378 3.465 0 40 DGAB Cc1ccccc1CN1C[C@@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 107249647 NBHPFSUAVZIGRN-IEBWSBKVSA-N 321.424 3.343 0 40 DGAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[C@H]1C[C@@H]2CC[C@@H]1C2 101703120 LXNOAIIBZDISFK-ZBIZRNTBSA-N 313.397 3.369 0 40 DGAB COc1ccc(CCNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1OC 104621234 SFCCHUGYQANRQO-HRCADAONSA-N 317.429 3.189 0 40 DGAB O=C(c1cc2ccccc2n1Cc1ccccc1)N1CCOCC1 42565725 FRYGQSBTVHQQGP-UHFFFAOYSA-N 320.392 3.162 0 40 DGAB CN(Cc1nccn1C)C(=O)c1ccc(-c2ccccc2)cc1 61512305 FLYCNRHWLGVXHU-UHFFFAOYSA-N 305.381 3.359 0 40 DGAB Cc1nc(-n2cccc2)sc1C(=O)NCc1cccs1 12409180 XLJRXVJCIUWBFP-UHFFFAOYSA-N 303.412 3.234 0 40 DGAB Nc1nc2n(n1)[C@H](c1cccs1)C[C@@H](c1ccc(F)cc1)N2 12469192 DQCJFQDDEQCKCN-RYUDHWBXSA-N 315.377 3.207 0 40 DGAB COc1ccc(Cc2nc(C(=O)N3CCCCC3)cs2)cc1 1384068 JMXBBOCUZWHQTD-UHFFFAOYSA-N 316.426 3.369 0 40 DGAB O=C(NC1=NCCS1)[C@H]1C[C@@H]1c1ccc(Cl)cc1Cl 107083946 CWTKTCBKHOAAAC-ZJUUUORDSA-N 315.225 3.316 0 40 DGAB O=C(COC(=O)/C=C/c1cccc(Cl)c1)NC1CCCCC1 3250583 FUAFLYKLMFXGFX-MDZDMXLPSA-N 321.804 3.345 0 40 DGAB COCCn1cc(NC(=O)N(C)[C@H](C)c2ccc(C)s2)cn1 44973148 HTVMCNFDLGIRCF-GFCCVEGCSA-N 322.434 3.124 0 40 DGAB CC[C@](C)(NC(=O)Nc1nc(C)ccc1OC)c1nccs1 97143184 SIBDJMHDDCTOBY-HNNXBMFYSA-N 320.418 3.302 0 40 DGAB Cc1cscc1C(=O)NC[C@H]1CCN(C(=O)OC(C)(C)C)C1 97106955 BDWLEVQNSPMLLK-GFCCVEGCSA-N 324.446 3.043 0 40 DGAB COC(=O)c1ccc(CSc2nnc(NC(C)C)s2)cc1 3383493 XBBZTJRLJAZZQX-UHFFFAOYSA-N 323.443 3.437 0 40 DGAB COc1cccc(NC(=O)NC[C@H](C)N2CCCC[C@H]2C)c1 45949946 YQNXDWQYWISASY-KGLIPLIRSA-N 305.422 3.080 0 40 DGAB O=C(OCc1c(F)cccc1Cl)[C@H]1COc2ccccc2O1 3430952 NEKNXLHXUCZBLD-OAHLLOKOSA-N 322.719 3.362 0 40 DGAB CN(Cc1ccc(OC(F)F)cc1)C(=O)c1cccnc1S 29335659 WITANIQKUAYBEK-UHFFFAOYSA-N 324.352 3.244 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OC(C)C)cc1 49227485 XYSFORXCHCHBCK-UHFFFAOYSA-N 315.417 3.395 0 40 DGAB COc1ccc(-c2cn3cc(Br)cnc3n2)cc1 4002751 DOTNPORCTHAWSP-UHFFFAOYSA-N 304.147 3.167 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc2ncccc2c1 49544330 VDKFPBISOYXFSD-OAHLLOKOSA-N 310.382 3.393 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccccc2)cc1 8428625 ODDCNDZUJGZINZ-ZDUSSCGKSA-N 305.399 3.077 0 40 DGAB CCN1CCC[C@H]1CNc1ncnc2c1[nH]c1ccc(C)cc12 5177100 UOWSOTBHKOLRQG-ZDUSSCGKSA-N 309.417 3.316 0 40 DGAB CC(=O)c1cccc(NCC(=O)Nc2ccc(F)c(F)c2)c1 6249764 ZCBZKFZWUHJPJR-UHFFFAOYSA-N 304.296 3.218 0 40 DGAB O=C(c1ccco1)N(Cc1ccc(F)cc1)C[C@@H]1CCCO1 28250882 LMUOHAJFYMTMLY-HNNXBMFYSA-N 303.333 3.240 0 40 DGAB CN1CCC(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)CC1 65439834 NXSUIHQFHFGGRC-UHFFFAOYSA-N 319.302 3.060 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc2cccnc12 69583088 AKTFQKDEELBRMH-ROUUACIJSA-N 323.440 3.324 0 40 DGAB C[C@H](Nc1ccc(Br)cc1)C(=O)NC1CCCC1 6589330 JEULHKBKJBDPLR-JTQLQIEISA-N 311.223 3.308 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccco2)cc1Cl 6788840 IKFQQPKKXLQPFU-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3ccc(C)s3)ns2)on1 66413192 UAMPYNLJBDXRII-UHFFFAOYSA-N 306.372 3.124 0 40 DGAB CCOC(=O)[C@](C)(NCc1ccc(OC(F)F)cc1)C(C)C 72308595 LESVIACUSDLVIF-MRXNPFEDSA-N 315.360 3.355 0 40 DGAB CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 7307812 ZUGDWVCYNPTYGP-SSDOTTSWSA-N 315.744 3.436 0 40 DGAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc(CO)cc1 7429987 XHNLYOLJXSPGJO-UHFFFAOYSA-N 309.321 3.191 0 40 DGAB O=C(Cc1coc2ccc3ccccc3c12)NCCN1CCCC1 7435896 VXMROFAEEUQEFG-UHFFFAOYSA-N 322.408 3.341 0 40 DGAB O=C(COC(=O)c1cccc(F)c1)Nc1cccc(Cl)c1 7514153 UXWIXNUAEINJAE-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB c1coc(-c2nnc(CSc3nnc(NC4CC4)s3)o2)c1 7577498 DMYFHANSDZEHDF-UHFFFAOYSA-N 321.387 3.048 0 40 DGAB Cc1cc(Nc2ccc(CC(F)(F)F)cc2)n2ncnc2n1 71294673 XBIVLGNMWGHHLL-UHFFFAOYSA-N 307.279 3.281 0 40 DGAB CCc1ccc(-c2nc(SCc3nnc(CC)o3)n[nH]2)cc1 9112904 DGXDURKDFCPUEL-UHFFFAOYSA-N 315.402 3.272 0 40 DGAB NC(=O)c1cc2cc(C34CC5CC(CC(C5)C3)C4)ccc2oc1=O 9236914 MJWOEJHHHZJPIT-UHFFFAOYSA-N 323.392 3.360 0 40 DGAB CC(C)Cc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@H]2O)cc1 84575178 ODRZDGWLXXPQGQ-CTNGQTDRSA-N 323.436 3.202 0 40 DGAB c1ccc2c(CN3CCC(N4CCOCC4)CC3)cccc2c1 19889180 BDJVRHYEISNCEP-UHFFFAOYSA-N 310.441 3.136 0 40 DGAB CCc1cc(NC(=O)N[C@@](C)(CC)c2nc(C)cs2)n(C)n1 96434951 VPJNYXPBWGHAEJ-HNNXBMFYSA-N 321.450 3.194 0 40 DGAB Cc1cccc(C(=O)N2CCCC[C@H]2CCN2CCCC2)c1 21148667 JSTNSJRAAFHBGE-SFHVURJKSA-N 300.446 3.476 0 40 DGAB C[C@@H](NCCOc1ccc2c(c1)CCC(=O)N2)c1ccsc1 95420943 ZKRDLZHWVHQSNO-GFCCVEGCSA-N 316.426 3.362 0 40 DGAB CC[C@H](c1ccccc1)[S@](=O)[C@@H](C)C(=O)N1CCCCC1 95411025 DTIDHCGTHAZFGR-PXARDIRTSA-N 307.459 3.287 0 40 DGAB Cc1ccccc1[C@@H](C)CC(=O)NC1CCN(CC(F)F)CC1 72286493 KROMHDGLYMWGLR-AWEZNQCLSA-N 324.415 3.334 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)c3cc(C)sc3C)C2)no1 72231927 GZBNXUFYLRSCCW-GFCCVEGCSA-N 305.403 3.076 0 40 DGAB CCOC(=O)N[C@H](CNCc1c(C)cc(C)cc1C)C1CC1 72289901 XMWKCPWFTHPNQY-QGZVFWFLSA-N 304.434 3.226 0 40 DGAB Cc1cnc([C@H](NC2CCN(CC3CC3)CC2)C2CC2)s1 95423339 SXGCRXSKDWQYOJ-MRXNPFEDSA-N 305.491 3.367 0 40 DGAB CC(=O)Nc1ccccc1CNC(=O)N1CCC[C@H]2CCC[C@H]21 95404717 CFENIGGUVJLTGR-RHSMWYFYSA-N 315.417 3.119 0 40 DGAB Cc1cc([C@H](C)NC(=O)NCCc2ncc(C)s2)c(C)o1 73900929 FWMJLYMTBCPTNX-NSHDSACASA-N 307.419 3.264 0 40 DGAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)CC2(O)CCCC2)CC1 74057823 ANBYJVINUCREAH-JCYILVPMSA-N 323.477 3.268 0 40 DGAB COCC(=O)Nc1cccc(NCc2ccc3c(c2)CCC3)c1 95959872 KEESEKAELNDYJC-UHFFFAOYSA-N 310.397 3.372 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccc(-c2ccco2)[nH]c1=O 75124757 VYLDMYPXVWQKQZ-UHFFFAOYSA-N 312.369 3.255 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 75387517 PDLATOHQVOOIDP-GXTWGEPZSA-N 301.390 3.418 0 40 DGAB CCOc1c(Cl)cccc1CC(=O)N(C)Cc1nccs1 188679994 AJZSFKPQXVRRTR-UHFFFAOYSA-N 324.833 3.396 0 40 DGAB CCN1C(=O)/C(=C\c2cc3c(cc2OC)OCO3)c2ccccc21 409113436 IEQJICLFDKKPFP-ZSOIEALJSA-N 323.348 3.331 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cccnc1N(C)C(=O)OC(C)(C)C 72214491 UGLAFBXVXSWRLI-CQSZACIVSA-N 319.405 3.136 0 40 DGAB CS[C@H](C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 78411061 QQNOZRWYSCRRKW-SNVBAGLBSA-N 305.355 3.189 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)Cc3ccc(F)cc3)C2)cc1 38566480 LSHVYHHTOQVOOP-INIZCTEOSA-N 313.372 3.393 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)CCC3CCCC3)C2)n1 72369654 XBCCRSMMXLRKBS-INIZCTEOSA-N 301.434 3.380 0 40 DGAB CO[C@H]1CCCN(C(=O)c2cnccc2Oc2ccccc2)C1 558629342 RHNJFNKTAUTPCJ-HNNXBMFYSA-N 312.369 3.125 0 40 DGAB COc1ccc(-c2ccc([C@@H]3CCCN(C(C)=O)C3)nc2)cc1 72387168 RPLPOXHMZXGURT-QGZVFWFLSA-N 310.397 3.483 0 40 DGAB Cc1ccc(C(=O)c2ccc(CN3CCOCC3)cc2)c(C)c1 43210845 YWMFIORVIMASLR-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CC[C@@H](CNC(=O)Cc1ccc(C)nc1)Oc1cccc(F)c1 84560731 CULSRXBPDOAIKW-INIZCTEOSA-N 316.376 3.045 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)cs1 193745135 RKYMPVDFDREECQ-VIFPVBQESA-N 308.407 3.129 0 40 DGAB COc1ncc(NC(=O)C(c2ccccc2)c2ccccc2)cn1 75172086 LTCCQLZFVDJIOZ-UHFFFAOYSA-N 319.364 3.256 0 40 DGAB Cc1cccc(CNC(=S)Nc2ccc3c(c2)OCO3)c1 225426373 ZWQZWGQZPRQQOU-UHFFFAOYSA-N 300.383 3.210 0 40 DGAB Cc1ccc(C)c(O[C@@H](C)C(=O)NCCOc2ccccc2)c1 224293174 VHYTZOZTUQQNHH-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CC[C@@H]1CN(C(=O)[C@@H](N)CCSC)CC[C@H]1c1ccccc1 236920751 YTYFMAYFDOFJNW-OIISXLGYSA-N 320.502 3.109 0 40 DGAB Cc1nc(CNC(=O)[C@H](C)CCc2ccccc2F)oc1C 96430667 WMIIKTGLQZAJOI-LLVKDONJSA-N 304.365 3.316 0 40 DGAB Cc1ccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2nccs2)cc1 96439961 XPZBGXPUKLBULA-STQMWFEESA-N 319.430 3.279 0 40 DGAB CN(C)c1ccc(NC(=O)N2CCO[C@@H]3CCC[C@@H]32)cc1Cl 96415947 ROJZGIOOGJLCDH-LSDHHAIUSA-N 323.824 3.191 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1CCCOCC(F)(F)F 96418172 RGAIRFVOBGMYNZ-UHFFFAOYSA-N 320.698 3.019 0 40 DGAB Cc1ccnc([C@H]2CCN(C(=O)CCC3CCCCC3)C2)n1 257233432 GPFPKWBGDBZACL-INIZCTEOSA-N 301.434 3.461 0 40 DGAB CN(C)c1ncccc1CN1Cc2ccccc2OC(C)(C)C1 585084677 RIZCQRLGUBYOHL-UHFFFAOYSA-N 311.429 3.321 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2c(C)n(C)c3ccccc23)n1 257264606 LVFPHYYDIOOPQV-MRXNPFEDSA-N 322.412 3.496 0 40 DGAB CSc1cc(C(=O)N2CCO[C@](C)(c3ccccc3)C2)co1 585132556 ZQWJKAYQSXDKBI-KRWDZBQOSA-N 317.410 3.389 0 40 DGAB Cc1ccnc([C@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)n1 257298412 RLMODHWXTIGAMB-NSHDSACASA-N 308.307 3.193 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)Nc3c(C)noc3C)C2)cc1 264107455 VLYDJVQJNYJHAW-AWEZNQCLSA-N 315.373 3.321 0 40 DGAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3ccsc3)C[C@@H]21 585110004 NRGSKTFYYAFSTL-GXTWGEPZSA-N 313.426 3.073 0 40 DGAB O=C(NCCn1nc(-c2cccs2)cc1C1CC1)C1CCC1 96121584 PRJVYBXHLWNSCT-UHFFFAOYSA-N 315.442 3.405 0 40 DGAB FC(F)(F)c1ccn(C2CCN(Cc3cncs3)CC2)n1 97048926 CNRINBUQQNVLDV-UHFFFAOYSA-N 316.352 3.196 0 40 DGAB CC(C)C[C@H](NC(=O)c1ccco1)c1nc2cccnc2n1C 12114063 CONYTKQOMLLTST-ZDUSSCGKSA-N 312.373 3.079 0 40 DGAB COc1ccc(OC(=O)CCn2nc(C)c(Cl)c2C)cc1 13568783 OKBZEFORTOZIEX-UHFFFAOYSA-N 308.765 3.158 0 40 DGAB Cn1ncc2c1CCc1sc(NC(=O)CC3CCCC3)nc1-2 19289605 KMBUIMJBJMJYJL-UHFFFAOYSA-N 316.430 3.161 0 40 DGAB Cc1cc(C)cc(-c2nnc(SCC(=O)NCC(C)C)o2)c1 5794485 YWZGJSZRTAJMLK-UHFFFAOYSA-N 319.430 3.218 0 40 DGAB Cc1cnc(OC[C@H]2CCCN(c3ccncc3Cl)C2)nc1 1776000979 SKUCLZBFVFXVGV-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2nc3ccccc3[nH]2)c(C)c1 12420716 LWRPHSSTEIRORZ-UHFFFAOYSA-N 315.398 3.289 0 40 DGAB CCc1cccc(NC(=O)N2CCN(Cc3ccco3)CC2)c1 40098825 YZCPABPFWWIOAD-UHFFFAOYSA-N 313.401 3.192 0 40 DGAB CC(C)c1nnc(NC(=O)c2ccc3ccn(C)c3c2)s1 40286506 QHQCKIMUMFALLU-UHFFFAOYSA-N 300.387 3.406 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(C(=O)NCC2CCC2)CC1 31130321 XUNZWQAVHNKJIG-UHFFFAOYSA-N 321.852 3.280 0 40 DGAB Cc1noc(C)c1COc1ccc(CC(=O)NC(C)(C)C)cc1 40457568 UKAKXMFNLPSNGK-UHFFFAOYSA-N 316.401 3.328 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 40516097 IBLNDFSOCJLKRC-OLZOCXBDSA-N 307.438 3.385 0 40 DGAB C[C@H](CC(=O)N[C@H](C)c1ccccc1)NC(=O)c1ccccc1 32736091 QDJNVMWZYOMQEL-HUUCEWRRSA-N 310.397 3.072 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCc3ccccc3C1)CC2=O 167307 GDTCGBFQPMGYMU-WOJBJXKFSA-N 311.425 3.357 0 40 DGAB CCCCCn1c([C@@H](C)NC(=O)COC)nc2ccccc21 2601757 MSDVXIRECDAZSA-CYBMUJFWSA-N 303.406 3.050 0 40 DGAB O=C(Cc1csc(-c2ccco2)n1)NCCc1ccccc1 32909051 QXOGMHWJOKSZDO-UHFFFAOYSA-N 312.394 3.305 0 40 DGAB Cc1nn(C)cc1C(=O)Nc1nc2ccccc2n1C1CCCC1 76933743 SOOXBCCJRWJXFJ-UHFFFAOYSA-N 323.400 3.446 0 40 DGAB CCN(CC)CCCNc1cc(OC)c(OC)c2cccnc12 1592009 NMKNIEMVRVRVPQ-UHFFFAOYSA-N 317.433 3.396 0 40 DGAB CCCCOC(=O)[C@H](C)OC(=O)Nc1cc(C)ccc1OC 1676594 XLOXJEDAIUVMHD-LBPRGKRZSA-N 309.362 3.284 0 40 DGAB CCCn1cnc2c(SCCc3ccccc3)nc(N)nc21 1679427 ULXUCKDMJRCHFJ-UHFFFAOYSA-N 313.430 3.153 0 40 DGAB CCOC(=O)c1c(NC(=O)[C@@H]2CCCO2)sc2ccccc12 2764653 IMNJQQCWZSPCIT-NSHDSACASA-N 319.382 3.196 0 40 DGAB CCCCOCCCNCC(=O)Nc1ccc(Cl)cc1F 3295874 YDYFLVJWQKDWFG-UHFFFAOYSA-N 316.804 3.214 0 40 DGAB COc1ccc(CNC(=O)CCCOc2ccc(C)cc2)cc1 3611716 MDASEEPBDFZWEE-UHFFFAOYSA-N 313.397 3.479 0 40 DGAB COc1cccc(NC(=O)CCCc2nc(C(C)(C)C)no2)c1 33145316 NRIFAYHJUYNEFR-UHFFFAOYSA-N 317.389 3.337 0 40 DGAB CCn1c(SCc2cccc(F)c2)nc2c(c1=O)SCC2 4339347 MOHJBZAWSGYZLM-UHFFFAOYSA-N 322.430 3.343 0 40 DGAB CO[C@@](F)(C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F 4725035 XDVPPVJPICVBKD-VIFPVBQESA-N 303.614 3.292 0 40 DGAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)CCC1=O 6344054 LRUUATWHJXRDTE-UHFFFAOYSA-N 313.740 3.224 0 40 DGAB COc1cccc(C2=NN=C(NC3CCCCC3)SC2)c1 6875460 LSYCAGFVOLIWGH-UHFFFAOYSA-N 303.431 3.424 0 40 DGAB COCc1nc(C)cc(N[C@@H]2CCOC3(CCCCC3)C2)n1 104299267 MHCMPAFCFYHMOZ-CQSZACIVSA-N 305.422 3.225 0 40 DGAB Cc1noc([C@H]2CCCN(CCCOc3ccc(F)cc3)C2)n1 54676929 WDCATWZPEUAWSB-AWEZNQCLSA-N 319.380 3.166 0 40 DGAB COc1cccc(NC(=O)CN(Cc2ccccc2)C2CC2)c1 25118893 IEBKDJSPKVIOKP-UHFFFAOYSA-N 310.397 3.298 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(C)cc2C)s1 25774593 LRZISRQSULHMQJ-UHFFFAOYSA-N 317.410 3.424 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3cccn3)nc1)C2 107489216 PLEOAGJMJJGBJQ-DOXZYTNZSA-N 324.428 3.212 0 40 DGAB O=C(Nc1ccnn1Cc1ccsc1)[C@H]1C[C@H]2CC[C@H]1C2 107568709 LXTZYKBZSKAXKY-UBHSHLNASA-N 301.415 3.368 0 40 DGAB O=C1C[C@H](c2cccc(Cl)c2)c2ncn(-c3cccnc3)c2N1 35324430 BOXKERMWGZSJOE-CQSZACIVSA-N 324.771 3.395 0 40 DGAB O=C(COC(=O)c1ccc(F)c(Cl)c1)Nc1ccccc1 51354038 VUWJUPFMZNOYNK-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1nc2c3ccccc3nc(SCc3ccccn3)n2n1 12533051 KJDLDACNPKUYEN-UHFFFAOYSA-N 307.382 3.273 0 40 DGAB Cc1ccccc1CN1CCC2(CC1)CC(NC(=O)N(C)C)C2 108531401 KOPFWHRNUNNZMK-UHFFFAOYSA-N 315.461 3.011 0 40 DGAB CCSCc1ccnc(NC(=O)NCc2c(C)noc2C)c1 97107699 SHJJETRIHCECMR-UHFFFAOYSA-N 320.418 3.261 0 40 DGAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)Nc1ccncc1 10126298 QPVYDCWGMMUWKW-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB O=C(O)c1ccccc1NC(=O)C(C(F)(F)F)C(F)(F)F 2317717 XIIVRPXQRJKNGB-UHFFFAOYSA-N 315.169 3.064 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccc(Cn2cccn2)cc1 10642418 KVMILUWGGNAADY-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1nc(CN2CCCCC2)cs1 45754616 PHSQGGUJAOWLKZ-CYBMUJFWSA-N 305.447 3.424 0 40 DGAB O=C(NCCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1 59572517 GJUGOHQGLCSYCO-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB biogenic CC(C)(C)c1noc(CN2CCO[C@H](c3ccc(F)cc3)C2)n1 29659280 WGVBXLNUQBDWNL-AWEZNQCLSA-N 319.380 3.080 0 40 DGAB Cn1ccc(NC(=O)c2cc3c(s2)-c2ccccc2CC3)n1 12748026 OMTUKGIHZLIUTO-UHFFFAOYSA-N 309.394 3.500 0 40 DGAB Cc1nc2cc(NC(=O)C[C@@](C)(C(=O)O)C(C)C)ccc2o1 12786725 LVRWOGFVKXXALZ-MRXNPFEDSA-N 304.346 3.212 0 40 DGAB COCCOc1cccc(NC(=O)Nc2ccccc2F)c1 48354308 OPVJEJUESUXQPZ-UHFFFAOYSA-N 304.321 3.495 0 40 DGAB Cc1c(F)cccc1NC(=O)[C@H]1CCCN1C(=O)OCC(C)C 409183691 RYWIXMLMFUJBBI-OAHLLOKOSA-N 322.380 3.330 0 40 DGAB O=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1 12981079 GQGILKNQYODEPS-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 13171312 ZOQPKOZTINIQSQ-NSHDSACASA-N 317.316 3.023 0 40 DGAB CN(C(=O)c1ccc(Br)o1)C1Cc2ccccc2C1 48947851 WKPJBPUWSCYUAD-UHFFFAOYSA-N 320.186 3.282 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1CCCc2cccc(F)c21 69530109 WUICWYMOLOQWNS-LLVKDONJSA-N 315.392 3.259 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)NCC(F)(F)F 69535011 OVPKDICPZVLVFA-UHFFFAOYSA-N 300.305 3.411 0 40 DGAB O=C(Nc1ccc(Cn2cncn2)cc1)c1cc2ccccc2o1 13629871 SRTBIEDHXFVMNL-UHFFFAOYSA-N 318.336 3.325 0 40 DGAB C[C@H](C(=O)N1CCCc2ccccc21)N1CCc2ccccc2C1 8748270 QGPYWVXWJSSJCA-MRXNPFEDSA-N 320.436 3.413 0 40 DGAB Cc1sc2ncnc(S[C@H](C)C(=O)N3CCCC3)c2c1C 6113214 XYTPQUYHBDIQKE-LLVKDONJSA-N 321.471 3.411 0 40 DGAB CCn1ccc2cc(NC(=O)CCNCC(F)(F)F)ccc21 69811530 HKMFOPMWENIDJN-UHFFFAOYSA-N 313.323 3.142 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CC[C@H](Nc2ccccc2)C1 69873764 LXMNKOIOEYUVAN-AWEZNQCLSA-N 302.324 3.291 0 40 DGAB Cc1ccc(CNC(=O)c2cc(-c3cc(C)ccc3O)[nH]n2)cc1 5343869 NLVCLTLQGJODIN-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 8734966 PWLNHLNQAVWRKQ-IAQYHMDHSA-N 312.344 3.129 0 40 DGAB CC(=O)c1cccc(OCC(=O)N2c3ccccc3C[C@H]2C)c1 5407704 HNUZYPKOKBCQGG-CYBMUJFWSA-N 309.365 3.246 0 40 DGAB O=C(Cc1csc(COc2ccc(Cl)cc2)n1)NC1CC1 8734229 MRXFFYYQIDPBFI-UHFFFAOYSA-N 322.817 3.197 0 40 DGAB COc1ccc(SCC(=O)NCc2cccc(C)c2)cc1 22529069 RBTIJCPGPNHLST-UHFFFAOYSA-N 301.411 3.412 0 40 DGAB O=C(N[C@H]1CCSc2ccccc21)c1cn2ccccc2n1 6653809 OXNSRICDKRSYIA-ZDUSSCGKSA-N 309.394 3.301 0 40 DGAB Cc1ccc(-n2ncc(C(=O)N[C@H](C)c3ccccc3)c2N)cc1 8844425 OBIIKMGRWCUJSB-CQSZACIVSA-N 320.396 3.254 0 40 DGAB C/C=C1\CN2CC[C@H]1C[C@@H]2[C@H](O)c1ccnc2ccc(O)cc12 4824953 VBKQRUUVDAWDIP-KHVMLUJASA-N 310.397 3.014 0 40 DGAB Cc1ccc2nc(CNc3ccc(F)cc3Cl)cc(=O)n2c1 15293171 LAPOVCZMIJIPQV-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1Cl 20431748 WOCSJKDUCYSZDG-UHFFFAOYSA-N 322.817 3.417 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccccc1C 7276354 YBVDOJRYNWKVKN-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc[n+]([O-])c1 8988301 WSJBLPRKNFJHQW-UHFFFAOYSA-N 320.348 3.151 0 40 DGAB C[C@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@@H](c2ccccc2)O1 67828041 HOSYKALAFIBZRO-GUYCJALGSA-N 321.380 3.165 0 40 DGAB Nc1ccc(-c2nc(CCNc3cccc(Cl)c3)n[nH]2)cc1 62719106 FRJXTXKJSMYHSU-UHFFFAOYSA-N 313.792 3.362 0 40 DGAB COc1ccc(NC(=O)[C@@H](c2ccccc2)n2cccn2)cc1 68567885 TYSFVIASROOKPX-QGZVFWFLSA-N 307.353 3.120 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)cc1 9336297 NXYCPGIQTTVHOZ-ZBFHGGJFSA-N 300.402 3.297 0 40 DGAB CN(Cc1cc(=O)n2ccccc2n1)Cc1ccc(Cl)s1 9113228 WJEBOSQZUUFWJD-UHFFFAOYSA-N 319.817 3.041 0 40 DGAB O=C(CN1CC[C@H]2CCCC[C@@H]2C1)Nc1c(F)cccc1F 8267414 GTBPFHSIVJWROH-CHWSQXEVSA-N 308.372 3.415 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)cc1 9499937 BHFVNQLQYQZIOV-INIZCTEOSA-N 315.756 3.485 0 40 DGAB O=c1c2sccc2ncn1Cc1csc(-c2ccoc2)n1 71888017 ITFUCLHYKXZRHY-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB Cn1ccnc(N[C@H]2CCCOc3c2ccc2ccccc32)c1=O 84489211 LGZGZHPGZXSOIJ-INIZCTEOSA-N 321.380 3.259 0 40 DGAB CC[C@H](NC(=O)c1ccc2[nH]cnc2c1)c1ncc(C)s1 71915907 MIURTSWQDUEJIX-NSHDSACASA-N 300.387 3.209 0 40 DGAB COCc1ccc(CNC(=O)[C@@H](C)c2cccs2)cc1F 95399278 XJAUQCWRJVXJEF-NSHDSACASA-N 307.390 3.454 0 40 DGAB COc1cc(Br)c(CN2CCC2(C)C)cc1OC 97013636 WVORNMDOYRGNES-UHFFFAOYSA-N 314.223 3.451 0 40 DGAB C[C@@H](N[C@H]1CCc2c(F)cccc21)c1ccc(-n2cnnn2)cc1 95421150 PECKWAPXQZQAJY-XIKOKIGWSA-N 323.375 3.140 0 40 DGAB O=C(NC1CCCCCC1)N[C@@H]1CCO[C@@]2(CCSC2)C1 95426852 VVSVMOWNXVDSFO-ZBFHGGJFSA-N 312.479 3.063 0 40 DGAB Cc1cc(CNCc2ccccc2Cl)ccc1S(C)(=O)=O 95413093 YTJIFDFSYUORCN-UHFFFAOYSA-N 323.845 3.342 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1 95411179 RVZNKDCMPCBSKQ-OLZOCXBDSA-N 311.451 3.107 0 40 DGAB COc1ccc(OC)c(CC(=O)N(C)[C@H](C)c2ccccc2)c1 98080602 PSOXEXPHVAKAKW-CQSZACIVSA-N 313.397 3.466 0 40 DGAB Cc1cccc2cc(C(=O)N(CCC(=O)O)CC3CC3)oc12 95969867 FBNAPZWIFRNGRM-UHFFFAOYSA-N 301.342 3.068 0 40 DGAB CC(C)(C)Cc1nnc(NCc2ccc(N3CCCC3)nc2)o1 95992340 KSLQOQCVKUHNLX-UHFFFAOYSA-N 315.421 3.266 0 40 DGAB COC(=O)C(C)(C)c1ccc(NC(=O)OCC(F)(F)F)cc1 95945850 NMJAJLLHAAXMTA-UHFFFAOYSA-N 319.279 3.248 0 40 DGAB CCOc1ccc([C@H]2NC[C@H](C(=O)O)S2)c2ccccc12 408976214 DYNIQWMXJYZOPO-CABCVRRESA-N 303.383 3.027 0 40 DGAB CCCCSc1nnc(Cc2ccccc2)n1CCOC 409099677 STOORPBJZGSFEH-UHFFFAOYSA-N 305.447 3.408 0 40 DGAB Cc1ccc([C@H]2COCCN2Cc2cc(C(=O)O)sc2C)o1 518990761 QLCNYMIPQKORBN-CYBMUJFWSA-N 321.398 3.230 0 40 DGAB Cc1nn(-c2ccc(F)cc2F)c(C)c1CNc1ncccn1 187924261 ZWIGFBJGUADGKS-UHFFFAOYSA-N 315.327 3.169 0 40 DGAB CCc1c(C)sc2c1c1nc(-c3ccccc3)nn1c(=O)n2C 32070820 UKUSRYNEJURVCJ-UHFFFAOYSA-N 324.409 3.181 0 40 DGAB Oc1cc(COc2ccccc2)nc2cc(-c3ccccn3)nn12 72391322 TVMNRVKERIXPCH-UHFFFAOYSA-N 318.336 3.076 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2cccs2)cc1 72333791 AFBIPIOFYMDNFD-LBPRGKRZSA-N 303.383 3.091 0 40 DGAB COc1cccc(NC(=O)CN2C(=O)CCCc3ccccc32)c1 227168972 CVQFPAUKPHPYPP-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB O=C(NCc1cccnc1)c1ccc2sc(Cl)nc2c1 225976897 BZGBPDJALNVIFR-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB CCSCc1cccc(NC(=O)NC[C@@H]2CC[C@@H](O)C2)c1 195578941 FGAQIOKTDYMOMW-IUODEOHRSA-N 308.447 3.222 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@](C)(OCC)C2CC2)cc1 225724487 MUFJGMLYDJTIGH-GOSISDBHSA-N 321.417 3.246 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)C(=O)Nc2nccs2)CC1 42646801 UZEFVGWJTBCKLA-UHFFFAOYSA-N 323.462 3.193 0 40 DGAB CN1CC(=O)[C@H](c2ccccc2Oc2ccc(Cl)cc2)C1=O 44699403 VOTGBXTUIFUDJK-INIZCTEOSA-N 315.756 3.257 0 40 DGAB Cc1nn2c(ncc3c(=O)n(C4CC4)ccc32)c1-c1ccccc1 40396239 ATVZFBICNFDDAO-UHFFFAOYSA-N 316.364 3.355 0 40 DGAB Cc1ccc2[nH]c(-c3cc(Br)c[n+](C)c3)nc2c1 226774315 QPRDILWLODXWBN-UHFFFAOYSA-N 303.183 3.125 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCC 225280333 NCRJCDMPMHVSQX-MRXNPFEDSA-N 322.424 3.259 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CC1)NC1CCSCC1 96417803 ZZTKQIYVOIGNHH-UHFFFAOYSA-N 308.422 3.052 0 40 DGAB COC(=O)[C@H](NC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 96411559 ZBKHHAXHTHALAJ-DCAQKATOSA-N 323.355 3.059 0 40 DGAB CCCNC(=O)c1cc(-c2cnc(-c3ccccc3)nc2)cn1C 96147614 KWRXPHPSEPDQRF-UHFFFAOYSA-N 320.396 3.289 0 40 DGAB Cn1cnnc1CN1CCCCC[C@@H]1/C=C/c1cccs1 97370615 UKOCHPUXXGUSPU-MYSGNRETSA-N 302.447 3.335 0 40 DGAB COc1cccc(-n2cnnc2SCC[C@@H]2CCCC2=O)c1 95407110 ZMUSOKMVEPTGRN-LBPRGKRZSA-N 317.414 3.127 0 40 DGAB CCOC[C@@H]1COCCC12CCN(Cc1cccs1)CC2 96106384 XTXDRHDQIXZYLZ-OAHLLOKOSA-N 309.475 3.403 0 40 DGAB COC(=O)c1ccc([C@@H](C)N2CCC[C@H]2c2cnn(C)c2C)o1 245338774 OMFJNUMRWVTLIR-OCCSQVGLSA-N 317.389 3.006 0 40 DGAB C[C@@H](c1nc2ccc(Cl)cc2[nH]1)N(C)Cc1cnns1 585094482 OAEFLJOZPQTJNO-QMMMGPOBSA-N 307.810 3.261 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@]2(CNC(C)(C)C(F)(F)F)C1 585117019 PDWPILPVEZQOIU-QMTHXVAHSA-N 322.371 3.174 0 40 DGAB CNc1nccc([C@H]2CCCCN2Cc2nccn2C(C)C)n1 257326467 WXIHUDGVJDUSFS-OAHLLOKOSA-N 314.437 3.023 0 40 DGAB C[C@H]1CCCN(Cc2c([C@H]3CCCNC3)[nH]c3ncccc23)C1 253603706 KNCLSRWZFJXARD-GJZGRUSLSA-N 312.461 3.262 0 40 DGAB CC(=O)N1CCC(Cc2ccc(-c3nccs3)cn2)CC1 257299264 RPIUTJXWVQPQJM-UHFFFAOYSA-N 301.415 3.006 0 40 DGAB COCc1cc(CNc2cc(-c3ccccc3C)nn2C)no1 585140786 SAJUZKXUVOLWGM-UHFFFAOYSA-N 312.373 3.142 0 40 DGAB COC(=O)c1cc(C(F)(F)F)n(Cc2ccccc2Cl)n1 685936492 ASWWDAOIJMTQPV-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB COc1cccc(CN(C)C(=O)c2ncoc2-c2ccco2)c1 72284623 VANBJAXVMSVRBF-UHFFFAOYSA-N 312.325 3.215 0 40 DGAB CN(Cc1ccc(F)cc1)c1ncnc2c1cnn2C(C)(C)C 89761582 CHWIKIXAQMTBMS-UHFFFAOYSA-N 313.380 3.357 0 40 DGAB COc1ccccc1Cc1nnc(S[C@H]2CCC[C@@H]2OC)o1 96010421 GWVNCLAPMGYYRV-KBPBESRZSA-N 320.414 3.329 0 40 DGAB CCOc1ncccc1-c1noc(CN2C[C@@H](C)C[C@H](C)C2)n1 12234048 OPQUXTUODYMZFD-STQMWFEESA-N 316.405 3.008 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccccc2Cl)C1 13646473 PCYURQFCTSIWCX-ZIAGYGMSSA-N 308.853 3.438 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@@H](C)c2ccc(F)cc2)cc1 10519552 SGBLVIVXRZDRGZ-LBPRGKRZSA-N 323.389 3.216 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1cc(Cl)ccc1Cl 6998998 YCOVEOXGIHQSSU-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB CN(c1ccccn1)C1CCN(Cc2cc(C3CC3)on2)CC1 1889089358 BCGDZVCWSAEXON-UHFFFAOYSA-N 312.417 3.048 0 40 DGAB C[C@H](NCc1nnnn1C1CC1)c1ccc(Cl)cc1Cl 29961514 GXFGHZGAQMZLMP-QMMMGPOBSA-N 312.204 3.166 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@]2(C1)OC(=O)c1ccccc12 206582735 CVENLJFIURFDBY-QGZVFWFLSA-N 303.358 3.083 0 40 DGAB O=C(Nc1cnc2ccnn2c1)c1ccccc1SC(F)F 225574259 CSVRNKONTKEFPT-UHFFFAOYSA-N 320.324 3.296 0 40 DGAB Cn1cc([C@H]2CN(C(=O)c3ccsc3)Cc3ccccc32)cn1 575620841 VXSXPQHWIZYPCI-QGZVFWFLSA-N 323.421 3.270 0 40 DGAB c1nc(C2CC2)cc(N2CCC[C@@H](COc3nccs3)C2)n1 2298183999 IOUXFHMHZJPHEX-GFCCVEGCSA-N 316.430 3.106 0 40 DGAB CSc1ccn(Cc2c(Cl)cccc2Cl)c(=O)n1 48698 PRROBFGHTUNLRI-UHFFFAOYSA-N 301.198 3.320 0 40 DGAB O=C(NCCCOCC1CC1)Nc1ccc(OC(F)F)cc1 40477749 QRAKVMKREZKFDI-UHFFFAOYSA-N 314.332 3.226 0 40 DGAB COc1c(C)cnc(CNC(=O)N2CCCCCCC2)c1C 51335346 UCFACLADRYEMSD-UHFFFAOYSA-N 305.422 3.183 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C 41095308 ZJVDCIWTUJAVQR-WFASDCNBSA-N 311.447 3.251 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1CCc1ccccc1Cl 71880547 KEPSGZVQVMIMLN-MSOLQXFVSA-N 320.864 3.358 0 40 DGAB CCOC(=O)C(C)(C)Sc1nnc(-c2ccc(C)cc2)n1C 420861 XLGUSPOTXXGZQH-UHFFFAOYSA-N 319.430 3.224 0 40 DGAB COc1ccc(C(=O)N(C)Cc2ccc(C)s2)c(OC)c1 84205445 IINDOAGXEBQHPR-UHFFFAOYSA-N 305.399 3.346 0 40 DGAB O[C@H](C[C@@H]1CCCN1CCN1CCCCC1)c1ccccc1 76107475 CAXPNAXPVKEFSH-RBUKOAKNSA-N 302.462 3.060 0 40 DGAB CC(C)NC[C@@H](O)COCC(c1ccccc1)c1ccccc1 4530113 AZXWHABBGVWNIN-LJQANCHMSA-N 313.441 3.194 0 40 DGAB CC(=O)CSc1nnc2c3ccccc3nc(C(C)(C)C)n12 4898254 DLOKTODMFVLVJH-UHFFFAOYSA-N 314.414 3.256 0 40 DGAB C[C@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccccc1F 22226520 ABXGLKIXJJOMHT-WIUDPPPLSA-N 305.374 3.054 0 40 DGAB O=S(=O)(c1cccs1)N(Cc1ccco1)Cc1ccco1 7309687 VZWUBOGNRNPSOJ-UHFFFAOYSA-N 323.395 3.325 0 40 DGAB COc1ccc(C)cc1C[S@@](=O)Cc1nnc(C(C)(C)C)o1 97083490 DWTYYMUOVVTUTL-QFIPXVFZSA-N 322.430 3.133 0 40 DGAB Cc1ccc(-c2ncc(CN3CCCC4(C3)OCCO4)s2)o1 97058845 ZWRLAZILLPLVDV-UHFFFAOYSA-N 320.414 3.050 0 40 DGAB CO[C@@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 55051421 KKKHQSIEKQSLCD-WCQYABFASA-N 304.415 3.385 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 106151981 FGSCQOIDKUMGGS-KGLIPLIRSA-N 320.383 3.264 0 40 DGAB COC(=O)c1ccccc1NC(=S)Nc1cccc(OC)c1 3157627 SMDCJQUQMQYCFN-UHFFFAOYSA-N 316.382 3.291 0 40 DGAB CC(C)OC(=O)c1ccc2nc(NC(=O)C(C)C)sc2c1 20411777 KPNRZIBXEDHXGY-UHFFFAOYSA-N 306.387 3.456 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCC[C@H]1C1CCCCC1 55599577 SHNZPKAJUQKVFH-INIZCTEOSA-N 312.417 3.003 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1csc(C(C)C)n1 106789140 ZHSLUELSYYYNBR-JKSUJKDBSA-N 321.490 3.242 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccccc3Cl)NC2=O)cc1 1441093 YOABVVANAIRPDN-GDNBJRDFSA-N 312.756 3.266 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 25372155 JHFLDHIBHMMUCN-KRWDZBQOSA-N 319.401 3.493 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2ccsc2)N(C)C)cc1F 25331182 MOPHONUERHOYHI-OAHLLOKOSA-N 306.406 3.228 0 40 DGAB CC[C@H](C)c1ccc([C@H](N[C@@H](C)C(=O)NC(N)=O)C(C)C)cc1 57315528 YVZLENUKTCTYMI-HEHGZKQESA-N 319.449 3.070 0 40 DGAB O=C(c1cccnc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797563 DTKHCSPIBWJLHH-INIZCTEOSA-N 324.380 3.220 0 40 DGAB CC(C)(C)OC(=O)N1CC(CCOC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)C1 108393063 AFSPDZXXYXKHJC-AEGPPILISA-N 323.433 3.223 0 40 DGAB CCN(CC)C[C@H](O)COC(c1ccccc1)c1ccccc1 3205138 DTCMJGIBNCISMP-IBGZPJMESA-N 313.441 3.495 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 101275507 CFRVGBKTIFFXDI-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1cc(Oc2ccc(NC(=O)[C@H]3C[C@H]4CC[C@H]3O4)cc2)n[nH]1 110690251 NPLKPQNABXSYBB-QLFBSQMISA-N 313.357 3.016 0 40 DGAB COc1cc(/C=C/C(=O)Nc2ccccc2)cc(OC)c1OC 1929591 NAMIBPVVEFIUEE-MDZDMXLPSA-N 313.353 3.364 0 40 DGAB COc1ccc(OCCC(=O)NCc2ccc(F)c(C)c2)cc1 21068297 KMKCMGJZQNLQRN-UHFFFAOYSA-N 317.360 3.228 0 40 DGAB CC(=O)O[C@@H]1CC[C@@H]2[C@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@@H]3CC[C@]12C 104056360 HLTJNNHJVDFQJM-ODXKATOQSA-N 318.413 3.252 0 40 DGAB CC[C@H](C)OC(=O)CNCCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101030084 HRPHOCGNCCHABP-JTOWHCCKSA-N 311.466 3.149 0 40 DGAB COc1c(CN[C@@H](c2ccccc2)c2ccco2)c(C)nn1C 58329528 KAIBUXRGFMCRQI-KRWDZBQOSA-N 311.385 3.209 0 40 DGAB O=C(COC(=O)C1CCC1)Nc1cc(Cl)cc(Cl)c1 3316356 XDCLGLUDCCIUDS-UHFFFAOYSA-N 302.157 3.275 0 40 DGAB COc1nc2ccccc2cc1-c1noc(-c2cccnc2)n1 2390885 ZJKAFRRRGONGDY-UHFFFAOYSA-N 304.309 3.355 0 40 DGAB Cc1ccc2c(CC(=O)NCC[C@@H]3CCCO3)coc2c1C 29653165 LMDFDAHDBMJBGE-HNNXBMFYSA-N 301.386 3.277 0 40 DGAB O=C(COc1ccc(C(F)(F)F)cc1)NCc1cccs1 3448218 RFMITBMFZWIJIN-UHFFFAOYSA-N 315.316 3.462 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(Cl)nc1 3470680 ANEPOFHPNCPWLR-UHFFFAOYSA-N 319.744 3.303 0 40 DGAB O=C(CCNC(=O)c1ccsc1)Nc1ccccc1Cl 12994159 SKFYOIOVRZDYNF-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB O=C(COc1ccccc1)Nc1cccc(NC(=O)C2CC2)c1 13012123 ARZOKNVLXVODIH-UHFFFAOYSA-N 310.353 3.053 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccccc1N1CCCC1=O 13003568 UKHGWPBHKHRNRC-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB CC(C)C(=O)N[C@H](NCc1ccccc1)C(Cl)(Cl)Cl 19228834 PZGYGEDVFTVBLZ-LBPRGKRZSA-N 323.651 3.245 0 40 DGAB O=C(CCC1CCCC1)N1CCCN(c2nccs2)CC1 64473069 GVVRUMZNZPZSCF-UHFFFAOYSA-N 307.463 3.152 0 40 DGAB Cc1cc(C(=O)N(C)[C@@H](C)c2nc3ccccc3s2)on1 39517242 BTAMTHIMYDOTLX-JTQLQIEISA-N 301.371 3.426 0 40 DGAB Cc1cc(NN)n2nc(C(F)(F)F)c(-c3ccccc3)c2n1 5324752 XMRVKUCFNYHNMM-UHFFFAOYSA-N 307.279 3.009 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1ccccc1C)c1cccs1 14206323 FLSZSHRFFRMIMW-CQSZACIVSA-N 302.399 3.263 0 40 DGAB Cc1ccc(CNC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811225 KCGPNRZXEHHGMX-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB CO[C@H](CN[C@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 65748587 VPHOYLOAYAAPCO-AUUYWEPGSA-N 315.413 3.396 0 40 DGAB in-vitro COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1c(C)cccc1C 19736232 YZROMQQOJVLAOI-CYBMUJFWSA-N 314.385 3.300 0 40 DGAB Cc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1C 7306036 HXVHMILAAACJSF-CQSZACIVSA-N 301.411 3.443 0 40 DGAB O=C(N[C@H]1CCC[C@@H](C2CC2)C1)c1ccccc1Cn1cncn1 80489790 ZIPRIHINPRXDNW-WBVHZDCISA-N 324.428 3.025 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(NC3CC3)s2)cc1 7577348 URFFLNGKJCYWIT-UHFFFAOYSA-N 320.443 3.152 0 40 DGAB Cc1ccc(F)c2c1CCCN2C(=O)Cc1c(C)nn(C)c1C 68143922 YCJZAODOADUVMJ-UHFFFAOYSA-N 315.392 3.006 0 40 DGAB O=C(c1cccnc1Cl)N1CCc2[nH]c3ccccc3c2C1 9899769 RIMBZFZBFSOBPM-UHFFFAOYSA-N 311.772 3.415 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1ccccc1Cl 68727230 RBEUVRFBRXWCIV-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB Cc1[nH]c2ccc(C(=O)OCC(=O)OC(C)(C)C)cc2c1C 16538258 IKXXUIDVWKSDBZ-UHFFFAOYSA-N 303.358 3.283 0 40 DGAB Cc1csc(NC(=O)c2ccc(CN3CCCCC3)o2)n1 27979804 IBDMFAYKZXMNDZ-UHFFFAOYSA-N 305.403 3.283 0 40 DGAB O=C(Nc1ccc(F)cc1OCC(F)F)c1ccncc1F 91105605 MRHIYNXIYCVUTM-UHFFFAOYSA-N 314.238 3.256 0 40 DGAB C[C@H](CCc1ccccc1)NCCNC(=O)c1ccccc1F 8264493 CMODYBJXPBLBCI-OAHLLOKOSA-N 314.404 3.166 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3c3cnn(C)c3)cc2c1 70004529 ZEEXRCQREPRAQP-KRWDZBQOSA-N 308.385 3.187 0 40 DGAB CCCc1ccc(C(=O)N2CCn3c(nnc3C(C)C)C2)cc1 69898714 CLZCRZFDEDYEFA-UHFFFAOYSA-N 312.417 3.010 0 40 DGAB CCc1csc(NC(=O)C2=NO[C@H](c3ccccc3)C2)n1 69869409 XCXXKDNSJDCPPL-ZDUSSCGKSA-N 301.371 3.162 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2c2ncnc3sccc23)n1 69919312 QJAXVOQXEQLLDF-ZDUSSCGKSA-N 313.430 3.174 0 40 DGAB COc1cccc(N2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)c1 69900632 ARSDTFKZCFQDFZ-KRWDZBQOSA-N 320.352 3.189 0 40 DGAB O=C(c1ccc2[nH]cnc2n1)N(Cc1ccccc1F)C1CCC1 97374958 FKAGYYIDKUBHCG-UHFFFAOYSA-N 324.359 3.292 0 40 DGAB Cc1noc(C)c1[C@H](C)CC(=O)N[C@](C)(CO)C1CCCCC1 97377657 CVNAWMHPAJTDAW-KZULUSFZSA-N 322.449 3.233 0 40 DGAB COc1ccc(CCN[C@@H](C)c2cccc(O)c2)cc1OC 95349335 QGJZFVUGIPYSDQ-ZDUSSCGKSA-N 301.386 3.303 0 40 DGAB C[C@@H](OC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2o1 95461467 SBSMQQHDJZGFMI-SNVBAGLBSA-N 311.293 3.475 0 40 DGAB CC1CCC(O)(CS(=O)(=O)Cc2ccc(Cl)s2)CC1 95988317 JCKNINAGMYGNTG-UHFFFAOYSA-N 322.879 3.258 0 40 DGAB COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95984024 UFHGTAZCULRERM-FZMZJTMJSA-N 322.453 3.077 0 40 DGAB CN(C)c1cccc(C(=O)N2CCO[C@@H](c3ccsc3)C2)c1 89326701 AUTBICUKEWZTBX-MRXNPFEDSA-N 316.426 3.028 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H](C)C[C@H](O)c2ccccc2)o1 89652895 PWELAQKTKCJXGY-GUYCJALGSA-N 301.386 3.149 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)CC[C@H]3CCCO3)ccc21 89870534 ILQWKKCJMVTUCX-CQSZACIVSA-N 313.401 3.348 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cc2cc(F)ccc2o1 89948850 JJAHZZOMSOGPDC-GUYCJALGSA-N 318.392 3.309 0 40 DGAB C[S@@](=O)c1ccc(C(=O)OCCSC(C)(C)C)cc1 75611147 CAIMUFCJYJKARD-IBGZPJMESA-N 300.445 3.113 0 40 DGAB Cc1cccc(CS(=O)(=O)N[C@H](C)c2ccc(F)cc2)c1 30866215 BJUKREWHTZRNPP-CYBMUJFWSA-N 307.390 3.315 0 40 DGAB CCCCOc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1 33916683 SNKYSEXEVYQIGQ-AWEZNQCLSA-N 311.447 3.429 0 40 DGAB O=C(c1ccc2c(c1)OCCO2)N(Cc1ccccc1)C1CC1 31085324 CKEZVEKVUYLHOA-UHFFFAOYSA-N 309.365 3.263 0 40 DGAB CCCCN1CCCC[C@@H]1c1cccnc1N1CCOCC1 72216246 NEMOWILWBKWSFX-QGZVFWFLSA-N 303.450 3.245 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)NCC(C)C)cc1C(C)C 36638894 MHJZAZCAKLMGGX-UHFFFAOYSA-N 313.463 3.451 0 40 DGAB COc1ccccc1-c1nnc(-c2c(C)nc3ccccn23)o1 216609798 IFIHPUVFEIMDDV-UHFFFAOYSA-N 306.325 3.368 0 40 DGAB CC(C)(C)OC(=O)NCCCC(=O)c1ccc(NC2CC2)nc1 72213762 ALEIIJACQHMVKT-UHFFFAOYSA-N 319.405 3.144 0 40 DGAB CNc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72212516 XLOXXSBNTPYZSK-UHFFFAOYSA-N 307.394 3.001 0 40 DGAB CCOC(=O)CCCCC(=O)c1cc(OC)c(OC)c(OC)c1 43214406 ZIYVXULSYBJDJA-UHFFFAOYSA-N 324.373 3.019 0 40 DGAB CC(=O)Nc1nc(CSCCC(=O)OC(C)(C)C)cs1 225641619 JJEVOJYTVQJMEP-UHFFFAOYSA-N 316.448 3.067 0 40 DGAB CC(C)n1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1 222726478 GEIKJFUVYUWXMQ-HUUCEWRRSA-N 300.431 3.066 0 40 DGAB Cc1cc(N2CCCC2)nc(NC(=S)NC2CCCCC2)n1 226009026 DQOOUPCCASVJMY-UHFFFAOYSA-N 319.478 3.004 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@@H]2c1ccc(O)c(Cl)c1 49546560 UFQWNMZPNOBMSM-GFCCVEGCSA-N 309.778 3.203 0 40 DGAB O=C(O)CC1C[C@@H]2CC[C@H](C1)N2C(=O)OCc1ccccc1 86573198 WGECYIBDLMHHCM-GOOCMWNKSA-N 303.358 3.041 0 40 DGAB Cc1cc(NC(=O)c2csnn2)ccc1Oc1ccncc1 192590996 HNSJRPRHBAEBJF-UHFFFAOYSA-N 312.354 3.286 0 40 DGAB O=C(c1cccs1)N1CCC[C@@]2(CCN(CC3CC3)C2)C1 96047030 NUJKJYXWPORSIH-KRWDZBQOSA-N 304.459 3.086 0 40 DGAB CCCOc1ccc(NC(=O)N[C@@H]2CCC[C@@H]2CO)c(C)c1 96434211 AALGIJFYGJFAFK-CZUORRHYSA-N 306.406 3.066 0 40 DGAB O=C1c2ccccc2-c2ccc(-c3nc([C@@H]4CCOC4)no3)cc21 96462733 NPZNKERYTIVMQB-GFCCVEGCSA-N 318.332 3.452 0 40 DGAB CCc1cc(NC(=O)CN2C(=O)CCc3ccccc32)ccc1C 537592704 MWFCYIMLPWQQKX-UHFFFAOYSA-N 322.408 3.475 0 40 DGAB O=C(Nc1c(Br)ncc2ccccc12)[C@H]1CCCO1 585125990 KLXUHSMJBPDEGD-LLVKDONJSA-N 321.174 3.115 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@H](c2cnccn2)C1 257234459 GTPLKUUUOFSIAB-HNNXBMFYSA-N 315.392 3.264 0 40 DGAB Cc1cncc([C@@H]2CCCN2C(=O)CCc2cccs2)n1 257226803 FMGCQYNIFIVUGJ-HNNXBMFYSA-N 301.415 3.143 0 40 DGAB Cc1onc(C(C)C)c1C(=O)N1CCCC[C@@H]1c1ccn[nH]1 257257353 KPEHNRASRAACTJ-CYBMUJFWSA-N 302.378 3.197 0 40 DGAB O=C(Nc1cccnc1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 56352183 QNNUGSCXVYUKJG-HOTGVXAUSA-N 315.348 3.263 0 40 DGAB CC[C@@H](C(=O)N1CCCSC[C@H]1CN(C)C)c1ccccc1 90699975 HDTOKXPIDQQWLZ-IAGOWNOFSA-N 320.502 3.076 0 40 DGAB O=S(=O)(NC1CCSCC1)c1cccc2ccccc12 83989456 XOPYRGPKKQLIPM-UHFFFAOYSA-N 307.440 3.014 0 40 DGAB CC(C)c1ccc(C(=O)N(C)Cc2ccc(C(=O)O)cc2)nc1 578767560 WGJUXNPQWNUWOS-UHFFFAOYSA-N 312.369 3.175 0 40 DGAB COC(=O)[C@@]1(Cc2ccc(C)cc2)Cc2c(C)cccc2C1=O 5537834 ARTIHSBJXAJKOT-FQEVSTJZSA-N 308.377 3.444 0 40 DGAB CN=[S@](=O)(c1ccccc1)[C@@]1(C)CC(C)=C(C)C[S@]1=O 5662694 MAVIGTCNEJVHOW-YSSFQJQWSA-N 311.472 3.348 0 40 DGAB Fc1cccc(-c2nnc3sc(-c4ccncc4)nn23)c1F 12408685 RZZQXPRADBWEFD-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1csc2c1CC[C@H](C)C2 13000132 HTRJMFBTCTWUMA-SMDDNHRTSA-N 323.458 3.190 0 40 DGAB O=C1/C(=C/c2ccc(F)cc2)NC(=S)N1C1CCCCC1 15011297 YEEBFSJAFQZSCC-UVTDQMKNSA-N 304.390 3.216 0 40 DGAB COc1ccc(CN2CCCCC[C@@H]3[C@@H]2CCN3C(C)=O)cc1 19712375 RJTDKJFVVUDSLP-RBUKOAKNSA-N 316.445 3.061 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@@H]2C[C@H]3C=C[C@@H]2C3)c2ccccc12 169680721 BVKKIUFWFPTIGS-XHSDSOJGSA-N 322.408 3.172 0 40 DGAB CSc1nc(C(F)F)cc(N2C[C@H](C)O[C@H](C3CC3)C2)n1 521395292 WQHYQBOWGWXXNW-KWQFWETISA-N 315.389 3.140 0 40 DGAB CO[C@@]1(COc2ccccc2C)CCN(Cc2cscn2)C1 643914591 RMQUJHXDZYUKAL-KRWDZBQOSA-N 318.442 3.121 0 40 DGAB CCCCCc1cc(O)c2c3c(c(=O)oc2c1)CCC(=O)C3 104085346 CQPLRFPVNMHSAH-UHFFFAOYSA-N 300.354 3.289 0 40 DGAB c1ccc2c(NCCN3CCCC3)nc(-c3ccncc3)nc2c1 38342295 MGFSLOHREJORAH-UHFFFAOYSA-N 319.412 3.200 0 40 DGAB CCN(Cc1ccco1)S(=O)(=O)C1=Cc2ccccc2CC1 40091364 BLLQXUHPYDRULS-UHFFFAOYSA-N 317.410 3.419 0 40 DGAB COc1ccc(-c2c(C)c3cc(O)ccc3oc2=O)cc1OC 57810 XVUGUSLJPOBMDX-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic,in-vitro CC(C)OC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 191367 SSAIUORYWBGCLD-UHFFFAOYSA-N 315.369 3.181 0 40 DGAB CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)cc1OC 301777 USRQEGNVOGWAPK-PTNGSMBKSA-N 323.348 3.438 0 40 DGAB C[C@H]1CC(=O)NC(=S)N1c1ccc(Oc2ccccc2)cc1 386550 AMKSHWPNSOMRCY-LBPRGKRZSA-N 312.394 3.479 0 40 DGAB CC(C)Oc1ccc(NC(=O)NCCCn2ccnc2)c(F)c1 52267982 YRHBSOOMAVZKOY-UHFFFAOYSA-N 320.368 3.021 0 40 DGAB COC(=O)Cc1nc(-c2ccc(Br)s2)cs1 32808910 LOQLOTDNHDEONT-UHFFFAOYSA-N 318.217 3.350 0 40 DGAB CC(C)c1ccc(SCC(=O)NC(=O)c2ccc[nH]2)cc1 29749855 YZQBHEXFJCVVKF-UHFFFAOYSA-N 302.399 3.187 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1nnc(Cc2ccccc2)s1 29838939 DHMUWOMRVUAAKW-CMDGGOBGSA-N 322.393 3.176 0 40 DGAB Cc1nc(SCC(=O)N[C@@H]2CCCC[C@H]2C)nc(C)c1C 2621220 ZZOVYQGHRXWXEY-QMTHXVAHSA-N 307.463 3.189 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(SC)cc2)c1C 12038088 YIYHSBGRFDJOCH-UHFFFAOYSA-N 318.398 3.392 0 40 DGAB COC(=O)c1c(NC(=O)c2ccsc2)sc2c1CCC2 60750612 FHDJZYXBUOFJAD-UHFFFAOYSA-N 307.396 3.337 0 40 DGAB CCN1CC[C@](O)(c2ccccc2)[C@@H](C(=O)c2ccccc2)C1 1628523 HGHSAQKKTCGYPM-QUCCMNQESA-N 309.409 3.099 0 40 DGAB COC(=O)CCC(C)(c1ccc(O)cc1)c1ccc(O)cc1 1691664 JZCLWFULJLDXDT-UHFFFAOYSA-N 300.354 3.357 0 40 DGAB Clc1cnccc1CN1CCC[C@@H](c2noc(C3CC3)n2)C1 78894367 ASMCXMLLOKMTKH-CYBMUJFWSA-N 318.808 3.375 0 40 DGAB C[C@@H]1CCN(CCSc2nnc(Cc3cccs3)o2)C1 79058376 ZQWSWDSGZCUIPY-LLVKDONJSA-N 309.460 3.156 0 40 DGAB CCOc1ccccc1N1C[C@H](C(=O)Nc2ccccc2)CC1=O 6402621 XRUYTABIDYQTOP-CQSZACIVSA-N 324.380 3.077 0 40 DGAB CSc1ccc(C(=O)N2CCC(Nc3cccnc3)CC2)o1 72281055 ZZUXOWDPACZYMT-UHFFFAOYSA-N 317.414 3.113 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(-c3ccco3)o2)cc1 2809567 URQQYZJJXWPBHT-UHFFFAOYSA-N 315.354 3.369 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H](CN2CCCCC2)C1 106162435 GOTJOLZEEHRFEL-MHORFTMASA-N 304.478 3.147 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1F 26155951 AOXBMWKKNYMWMK-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB CN(Cc1ccc(F)cc1)Cc1cc(=O)oc2cc(O)ccc12 57332148 ZKMDEIUDXBMTKD-UHFFFAOYSA-N 313.328 3.270 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(CC(F)(F)F)C1 95412529 YZGSSIPVOYMIIM-QWRGUYRKSA-N 310.360 3.174 0 40 DGAB COCc1ccccc1CNC(=O)Nc1ccc(F)c(F)c1 48332908 BGOCRHIXOHMTTR-UHFFFAOYSA-N 306.312 3.433 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2cc(-c3ccccc3)n[nH]2)c1 28244331 TVFYNPMHSBDMNJ-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB C[C@H]1c2cccn2CCN1Cc1ccc(C(=O)N2CCCC2)cc1 28748800 SWOFMGAKKUSMLH-INIZCTEOSA-N 323.440 3.301 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](O)c1ccc(O)cc1 8726670 VWQBJYJUUZSDEU-BMIGLBTASA-N 320.776 3.289 0 40 DGAB CC(C)CCN1Cc2cccc(NC(=O)[C@H]3CCCO3)c2C1 62640018 OWCDQLRPFNIXEL-QGZVFWFLSA-N 302.418 3.166 0 40 DGAB C[C@@]1(c2cccs2)NC(=S)N(c2ccc(Cl)cc2)N1 59453830 MJKUBNIDXVJJQL-CYBMUJFWSA-N 309.847 3.474 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1nccs1 12940583 AWUSQGXLHKKYCO-CQSZACIVSA-N 313.382 3.046 0 40 DGAB CCCCc1nc(CN2C[C@H](C)C(=O)Nc3ccccc32)no1 72488478 BIDBRIZOACDHGJ-LBPRGKRZSA-N 314.389 3.007 0 40 DGAB O=C(NCCn1ccc2cc(Br)ccc21)C1CCC1 72401539 ILMNVACIUFKFEU-UHFFFAOYSA-N 321.218 3.320 0 40 DGAB COc1ccc(CCN(C)CCc2scnc2C)cc1OC 95399418 DSXKYBLOLTZHDE-UHFFFAOYSA-N 320.458 3.186 0 40 DGAB O=C(O)c1cccnc1Sc1ccc(Br)cn1 19484330 ANJURJMSRSVSPN-UHFFFAOYSA-N 311.160 3.089 0 40 DGAB in-vitro Cc1noc(C)c1C(=O)OCC(=O)c1ccc2c(c1)CCCC2 5196158 BQAURRMMXWMYIS-UHFFFAOYSA-N 313.353 3.210 0 40 DGAB CC(=O)c1c(C)n(CC(=O)N2CCC(C)CC2)c2ccccc12 4384758 VAEATSANRJCLBZ-UHFFFAOYSA-N 312.413 3.411 0 40 DGAB Cc1ccc(Cn2nc3c(cc2=O)CCc2ccccc2-3)cc1 6212135 QEWBVSKCARMUHW-UHFFFAOYSA-N 302.377 3.366 0 40 DGAB CCN(C[C@H]1CCCO1)c1nc2cc(C)nn2c2ccccc12 65609177 DUWYCYIKMNXBNL-CQSZACIVSA-N 310.401 3.196 0 40 DGAB O=C(CCc1ccccc1OC(F)(F)F)NCC(F)(F)F 65626510 XSNLGDVYDVRNMH-UHFFFAOYSA-N 315.213 3.196 0 40 DGAB CCCCc1cc(=O)oc2cc(OCC(=O)OCC)ccc12 4749541 NVKYDHNTKYGQHX-UHFFFAOYSA-N 304.342 3.078 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)c(C)o1 84081486 WBINMZXHVBLZCS-CYBMUJFWSA-N 301.346 3.134 0 40 DGAB CC(C)(C)OC(=O)N1CC(C(=O)N2CCC[C@H]2C2CCCC2)C1 96010463 NUGJYDGMOVTAAJ-HNNXBMFYSA-N 322.449 3.035 0 40 DGAB Cc1cc(C)n(CCSc2nc(-c3ccccc3F)n[nH]2)n1 68042913 PWEWGMSVGLPTFU-UHFFFAOYSA-N 317.393 3.216 0 40 DGAB Cc1nc(C)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)s1 80972170 WIUDOGQJSFQUBG-UHFFFAOYSA-N 322.455 3.440 0 40 DGAB CSc1ccccc1C(=O)NC[C@@H](c1ccccc1)N(C)C 16599117 IMTSQMKLESKDHZ-INIZCTEOSA-N 314.454 3.441 0 40 DGAB NC(=O)c1ccc(COC(=O)C2(c3ccccc3)CCCC2)cc1 16810692 QAVVVTMAMSJYRG-UHFFFAOYSA-N 323.392 3.341 0 40 DGAB CC(=O)c1ccc(OCC(=O)NCc2cccs2)c(Cl)c1 119436586 VKSBWHOXAAFKTO-UHFFFAOYSA-N 323.801 3.299 0 40 DGAB CC(C)C[C@@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccccn1 96484903 GHGKKPCUMULYEO-WMLDXEAASA-N 304.434 3.348 0 40 DGAB C[C@@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1ccncc1 97038855 OGLILNQDAONHQJ-CQSZACIVSA-N 312.417 3.123 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)C[C@](C)(O)c2ccccc2)C1 97059516 KMKPRNZDUIGANA-UXLLHSPISA-N 307.459 3.075 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2CCc3ccccc32)C1 71870835 MLKCDPCOZWEVNA-AEFFLSMTSA-N 323.440 3.339 0 40 DGAB O[C@@H](CNc1ncc(Cl)cn1)c1ccc(Cl)c(F)c1 95977483 VKQIUXVWDQNKAB-NSHDSACASA-N 302.136 3.068 0 40 DGAB Cc1noc(C)c1CNC(=O)c1ccc(Oc2ccccc2)nc1 95955271 ZDRWVQWUOLTPCZ-UHFFFAOYSA-N 323.352 3.409 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1NC1CCSCC1 89662572 DRLNDFUTPYYWAA-JSGCOSHPSA-N 314.495 3.165 0 40 DGAB C[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)[C@H](c2ccco2)C1 75386742 AXOBXOPFAPLVKC-FMKPAKJESA-N 314.385 3.442 0 40 DGAB CC(C)n1ccc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)n1 89894109 WNQMUSBDZDIQTC-AWEZNQCLSA-N 315.421 3.104 0 40 DGAB COc1ccc(N)cc1NC(=O)c1ccccc1Br 22142415 QZUJWTZAOVLFEQ-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c(C)c1 67298271 WKOHKSGUNHNLTN-ZZEZOPTASA-N 308.337 3.087 0 40 DGAB C[C@@H](c1ccccc1)n1c(CN2CCOCC2)nc2ccccc21 31903411 VTKDBGOVICNLSL-INIZCTEOSA-N 321.424 3.478 0 40 DGAB O=C(O)c1ccc([N+](=O)[O-])cc1C(=O)Nc1cccc(Cl)c1 33862787 AOAWKGWQVUZOFH-UHFFFAOYSA-N 320.688 3.199 0 40 DGAB O=C(Cc1ccccc1C(=O)O)Nc1ccnc2c(F)cccc12 71284294 DZCUQCLLOKKIHW-UHFFFAOYSA-N 324.311 3.253 0 40 DGAB CN(C)c1nnc(SCc2cnc(Cl)c(F)c2)s1 521395271 OVGQCUYKFSGOSH-UHFFFAOYSA-N 304.803 3.084 0 40 DGAB CC(C)c1ccccc1OCCNC(=O)NCc1nccs1 78925073 GBIQNAYQLLFWPJ-UHFFFAOYSA-N 319.430 3.145 0 40 DGAB CC(C)n1cccc1C(=O)N1CCCCC[C@H]1c1ncon1 189617330 OEWKAFJNUFKEKI-ZDUSSCGKSA-N 302.378 3.210 0 40 DGAB O=S(=O)(NCc1ccc2ccccc2c1)c1ccc(F)cc1 222772621 VZWSPVXHHGXSLY-UHFFFAOYSA-N 315.369 3.457 0 40 DGAB C[C@@H]1CC(C)(C)C[C@@H]1NC1CCN(Cc2ccncc2)CC1 193124959 FAKMXCNHEZWDFT-QAPCUYQASA-N 301.478 3.460 0 40 DGAB COc1ccc(NC(=O)[C@H](c2ccccc2)n2cccc2)cn1 575443283 QOZFRNJJIQYKDH-KRWDZBQOSA-N 307.353 3.120 0 40 DGAB CC(=O)N[C@@H](C)C1CCN(Cc2ccc(Cl)cc2F)CC1 225453127 XEFOMGAZQQUGIR-NSHDSACASA-N 312.816 3.216 0 40 DGAB COC(=O)c1cn(C(=O)Cc2ccccc2F)c2ccccc12 222651078 DEYGSTRWQDOVKH-UHFFFAOYSA-N 311.312 3.450 0 40 DGAB O=C(O)c1cnc(COc2ccccc2)nc1Nc1ccccc1 49469694 ACEIJBWJLAIGPE-UHFFFAOYSA-N 321.336 3.497 0 40 DGAB CC[C@@H](c1ccc(F)cc1)[S@](=O)c1nnc(C2CC2)n1C 83076743 AJUDMYDSJYJLDE-YEJXKQKISA-N 307.394 3.091 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3cccc(C(F)(F)F)c3)=NN[C@H]2C1 228924540 VXFCTMWUXGFSCN-WCQYABFASA-N 310.319 3.387 0 40 DGAB Cc1nc2ccccn2c1-c1nc(-c2ccc3c(c2)OCO3)no1 20540143 TWDGFKLWIHGQPA-UHFFFAOYSA-N 320.308 3.088 0 40 DGAB N[C@@H](c1ccccc1)c1nc(COc2ccc(Cl)cc2)n[nH]1 95533382 KYMRWCOBVITEBW-HNNXBMFYSA-N 314.776 3.085 0 40 DGAB Cc1ccc([C@H]2CCCCCN2C(=O)CCN2CCCC2=O)o1 96414192 BDLOIZFLNXDJTD-OAHLLOKOSA-N 318.417 3.044 0 40 DGAB COc1ccccc1[C@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1 91344098 AKEWYXYTFMEQLO-DNVCBOLYSA-N 316.445 3.137 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@]1(C)CC(c2cccc(F)c2)=NO1 96192979 MXQRLSWIWVWBPK-SJCJKPOMSA-N 304.365 3.110 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)[C@@]2(CCNC2)C1 91303092 SZRJUSMARDPBID-CRAIPNDOSA-N 302.418 3.001 0 40 DGAB c1ccc([C@H](NC2CCC3(CC2)OCCO3)c2ccncc2)cc1 97233877 YJVSWYATCJHFGQ-IBGZPJMESA-N 324.424 3.446 0 40 DGAB Cc1ccc(CN2CCO[C@@H]3[C@@H](Cn4cccc4)CC[C@H]32)o1 248111961 RAZHYSOHYBRNIU-KBAYOESNSA-N 300.402 3.069 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@H](c2ccncn2)C1 257217798 DAQUGXPOHJYQPC-HNNXBMFYSA-N 315.392 3.264 0 40 DGAB CCn1nccc1-c1nccnc1C[C@@H]1CCCN(C(C)C)C1 257313419 USHOMAFZYZMAHU-HNNXBMFYSA-N 313.449 3.023 0 40 DGAB C[C@@]12CCN(C(=O)c3cccc4ncccc34)[C@@H]1CC[C@@H](O)C2 257273398 NGKBZJYUSNDKIK-XVSDVWIESA-N 310.397 3.000 0 40 DGAB CCN1CCC[C@@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 58281675 DLEVFERMNAJSCI-AWEZNQCLSA-N 320.864 3.220 0 40 DGAB COC(=O)[C@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1 69508135 SPDVIUBVDVWHKG-CQSZACIVSA-N 321.735 3.123 0 40 DGAB Cc1ccsc1CN(C)C(=O)NC[C@H]1Cc2ccccc2O1 65399571 QIFWDBGRSHCNJY-CQSZACIVSA-N 316.426 3.202 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccnc2ccnn12 84341257 DXLXQJSDKLHARZ-UHFFFAOYSA-N 321.167 3.217 0 40 DGAB COCc1nccc([C@@H]2CCCN(Cc3cccc(F)c3)C2)n1 89420465 ZRWXHDWOSIXVJO-OAHLLOKOSA-N 315.392 3.142 0 40 DGAB CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCC1CCCCC1 5000540 XTULGTCCHMSQNX-FRQCXROJSA-N 306.494 3.487 0 40 DGAB CN1CCCCC[C@@H]2[C@@H]1[C@H](c1ccccc1)CN2C(=O)C1CC1 19589052 XWLRJFQDYQBACD-OTWHNJEPSA-N 312.457 3.265 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(c3nc(C)cc(C)n3)C2)n1 1888844605 MXZHGEUHVJJDMO-INIZCTEOSA-N 312.417 3.092 0 40 DGAB CC(C)c1cccc2sc(N3CCC(C(N)=O)CC3)nc12 1888903813 LKIFFBJRIWCCLV-UHFFFAOYSA-N 303.431 3.121 0 40 DGAB COC(=O)c1cnn(-c2ccccc2)c1Nc1ccc(OC)cc1 39158002 KEIDJYLDPJVANM-UHFFFAOYSA-N 323.352 3.411 0 40 DGAB O=c1c2cccnc2[nH]c(=S)n1Cc1cccc(Cl)c1 424528 XAVOOEHSIPDHMV-UHFFFAOYSA-N 303.774 3.156 0 40 DGAB COc1cccc(C(=O)Nc2nc(-c3ccncc3)cs2)c1 4063217 WGAULCKIHFZVCU-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CC[C@H]1CCCCN1C(=O)C(=O)c1c(C)n(C)c2ccccc12 4062402 STZPAGMAKCEGQS-AWEZNQCLSA-N 312.413 3.461 0 40 DGAB Cc1ccc(C)c(NC(=O)CCS(=O)(=O)c2ccccc2)c1 4348225 LZYSUBJFKDFBOF-UHFFFAOYSA-N 317.410 3.106 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccno2)sc2ccccc12 9704475 WYNUWADVJXEMBS-UHFFFAOYSA-N 316.338 3.318 0 40 DGAB CCC(=O)N(C[C@H]1CCCO1)c1nc2c(OC)cccc2s1 10874364 JUXVPSGRHIXRSE-LLVKDONJSA-N 320.414 3.227 0 40 DGAB COc1ccc(-c2cc3nc(C)cc(Cl)n3n2)cc1OC 23118824 WXXLREUPKQEPKJ-UHFFFAOYSA-N 303.749 3.375 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H](c1cccs1)n1cccn1 575609595 DMTYCTVFWLFFNX-ZNFPLGDCSA-N 323.421 3.364 0 40 DGAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccoc1 85562213 MTNKDLWSMKFWLE-AWEZNQCLSA-N 319.407 3.414 0 40 DGAB C[C@H](O)CNCc1ccc(OCc2ccccc2)c(Cl)c1 10474587 WLAINKHYRWQQTH-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB COc1ccccc1NC(=O)NCc1ncc(-c2ccccc2)[nH]1 51562221 CDEMQYRIHUHGCQ-UHFFFAOYSA-N 322.368 3.407 0 40 DGAB CC(=O)O[C@@]1(c2ccc3ccccc3n2)COc2ccccc21 35298 XNSOVVRCDLHSGI-IBGZPJMESA-N 305.333 3.434 0 40 DGAB Cc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1F 11916888 APHAGOKCMCBMKM-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB Cc1ccc2c(CC(=O)Nc3ccc(C(N)=O)cc3)coc2c1 2631119 YDJWWTPVFLDOQN-UHFFFAOYSA-N 308.337 3.021 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)c1cnn(-c2ccccc2)c1 76017583 URDSKQUQIQARGP-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB O=C(Nc1n[nH]c2ccccc12)c1cc(-c2cccs2)n[nH]1 76462647 TWIKYJQRTWFKOP-UHFFFAOYSA-N 309.354 3.267 0 40 DGAB CCSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2)s1 3524200 LLWTWHFYUOIKAV-SNVBAGLBSA-N 323.443 3.365 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](C(=O)O)[C@H]2c2cccs2)cc1 3888163 PRTGINCKDPPNSZ-WFASDCNBSA-N 301.367 3.235 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](C)N2CCc3sccc3C2)cc1 22277742 VWBKJKPRZGVIMT-CQSZACIVSA-N 314.454 3.120 0 40 DGAB Cc1ccc(C2=CCN(C(=O)Cc3c(C)noc3C)CC2)cc1 53376637 OJLHPCMPFPYZEI-UHFFFAOYSA-N 310.397 3.458 0 40 DGAB O=C(Nc1ccccc1SCC(F)(F)F)c1cnccn1 22502648 MXHWJDRBWHACBJ-UHFFFAOYSA-N 313.304 3.383 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc3c(c1)OCO3)CC2=O 100892221 LSXIRUGCQWDCTN-QZTJIDSGSA-N 315.369 3.139 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)COc1ccccc1Cl 8906359 IYHCCWMVVHOFCR-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1ccccc1C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O 3131114 XWHLQPMIOKGGKV-UHFFFAOYSA-N 321.380 3.045 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)n2C)c1 24030663 IDWWYPTVUWIBKX-UHFFFAOYSA-N 313.401 3.068 0 40 DGAB O=c1/c(=N/Nc2ncccc2Cl)c2cccc3cccc1c32 54884467 TZQWXGQSLBXILV-HMMYKYKNSA-N 307.740 3.205 0 40 DGAB Cc1cc(Cl)c(C)c(S(=O)(=O)NCC2CC2)c1Cl 24434083 UWXZTPPOAHQYGA-UHFFFAOYSA-N 308.230 3.299 0 40 DGAB Cc1cccc(N2CCN(C(=O)NC3CCCC3)CC2)c1C 12527701 NLRVNVXLRZZUJM-UHFFFAOYSA-N 301.434 3.078 0 40 DGAB COc1ncccc1C(=O)Nc1ccc(N2CCCC2)cc1C 24861874 BLWKNWRXYWNKCT-UHFFFAOYSA-N 311.385 3.251 0 40 DGAB C/C=C/c1ccc(Oc2nnnn2-c2ccccc2)c(OC)c1 1442691 MXECAUISNKDLNN-XVNBXDOJSA-N 308.341 3.496 0 40 DGAB O=C(NCc1ncc[nH]1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 107068095 YXUZWQAWVMFWGU-BXWFABGCSA-N 309.413 3.075 0 40 DGAB NC(=O)c1cccc(NC(=O)c2occc2-c2ccccc2)c1 25467065 LJKPDRABPPQGGO-UHFFFAOYSA-N 306.321 3.298 0 40 DGAB Cc1ccc(C)c(NC(=O)CN2CCN(c3ccccc3)CC2)c1 57363886 JBDVAFYMZVITIP-UHFFFAOYSA-N 323.440 3.064 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccc(C)cc1 22520297 CWUVZJKQTIEDJJ-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB Cc1ccc(CN(C(=O)c2cc(Br)c[nH]2)C2CC2)o1 37845466 SNXLXCIQFRUTHR-UHFFFAOYSA-N 323.190 3.483 0 40 DGAB c1cncc(-c2nc(NCc3cc[nH]n3)c3ccccc3n2)c1 58248800 PMBYNRUHHYFWID-UHFFFAOYSA-N 302.341 3.027 0 40 DGAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 58296403 HSQXVJOLVOWATQ-NWDGAFQWSA-N 324.350 3.294 0 40 DGAB C[C@H]1CCCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)C1 28018126 XRQMSDPDMGLWGW-OWNNVSBGSA-N 301.386 3.120 0 40 DGAB Cc1nc(NC(=O)CSc2ccccc2C(=O)O)sc1C 28285360 AGKZRFJPDGWGQP-UHFFFAOYSA-N 322.411 3.189 0 40 DGAB CCOCc1cnc(C)nc1NCC(=O)c1c[nH]c2ccccc12 2292095 YXACHWBWGDLOJY-UHFFFAOYSA-N 324.384 3.098 0 40 DGAB C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@@H](C)O1 12821606 CUPQGNMMQZLRKD-BETUJISGSA-N 310.397 3.362 0 40 DGAB CCCOc1ccc(Cl)cc1S(=O)(=O)N[C@@H](C)CC 11614061 LENVSGMBVHPXOU-JTQLQIEISA-N 305.827 3.206 0 40 DGAB O=C(NC1CC1)c1csc(COc2ccc(Cl)cc2)n1 13014220 SKFCGWSKNRTELF-UHFFFAOYSA-N 308.790 3.268 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)CCC(C)C)cc1 48908561 PNAUPLGLJKNENE-AWEZNQCLSA-N 304.434 3.267 0 40 DGAB Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccncc3)CC2)c1 13324918 ORQGIPVUEFLUFK-UHFFFAOYSA-N 324.428 3.048 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2cccc(C)n2)c1 13689766 ROBMDBHOSAXGID-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CCc1c(C(=O)Nc2ccccc2F)nnn1-c1ccccc1 8715276 PZCATYPBHKWODB-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB COc1ccc(Cc2nnc(S[C@H]3CCCCC3=O)o2)cc1 39576186 NPNMKOODPMLABJ-AWEZNQCLSA-N 318.398 3.273 0 40 DGAB CCC[C@@H](C)CC(=O)NC1CCN(C(=O)c2ccccc2)CC1 65554015 CQENYOFPCLBIEE-OAHLLOKOSA-N 316.445 3.234 0 40 DGAB CCCOc1ccccc1OCC(=O)Nc1ccccc1O 14171750 VNFBXVVHILKZIO-UHFFFAOYSA-N 301.342 3.199 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)[C@H]1Cc2cc(Cl)ccc2O1 14135363 ALSLYDNQYKAUNZ-OAHLLOKOSA-N 317.728 3.011 0 40 DGAB Cc1ccc(NC(=O)C[S@@](=O)C/C=C/c2ccccc2)cc1 66294157 NTRRLMNEKOZTGV-QNBZTBGESA-N 313.422 3.396 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)c1nc2ccccc2c(=O)[nH]1 5666356 XCFZHDYJRNWGPO-SNVBAGLBSA-N 314.366 3.211 0 40 DGAB CCOC(=O)[C@@H](Nc1ccc(NC(C)=O)cc1)c1ccccc1 67472150 GXACLCDKNDDVSY-KRWDZBQOSA-N 312.369 3.361 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2ccccc2Cl)cc1 7535564 LVISOCQEOBNVFK-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB Cc1ccc(N(C(C)C)S(=O)(=O)c2cncc(F)c2)cc1 68919569 RXJSPHAKXVGGBH-UHFFFAOYSA-N 308.378 3.133 0 40 DGAB COc1ccc(CCC(=O)NCc2cccc(C)c2)cc1OC 20452116 IXOILUCJCIULRI-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CC(C)=CC(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8413144 WJXFBVQNJVMTRR-UHFFFAOYSA-N 315.200 3.357 0 40 DGAB COc1ccc([C@H](C)NC(=O)Cc2ccc(C)cc2)cc1OC 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Cc1nccn1CCCNC(=O)C[C@@H](C)CCc1ccccc1 69007668 MBYFHJLTQQHWCU-INIZCTEOSA-N 313.445 3.357 0 40 DGAB CC(=O)c1ccc(S(C)(=O)=O)c(N[C@@H](C)c2ccco2)c1 97082353 NTHVKNSQZGVEFS-JTQLQIEISA-N 307.371 3.059 0 40 DGAB O=C(Cn1c(C2CC2)nc2ccccc21)NCc1ccsc1 69416168 ZXQIBKDTJZMHFT-UHFFFAOYSA-N 311.410 3.292 0 40 DGAB CCOC(=O)N(C)C1CCN(Cc2cccc3[nH]ccc23)CC1 97032731 PAKIFABMOPUXDF-UHFFFAOYSA-N 315.417 3.221 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H](n4ccnc4)C3)c[nH]c2c1 69659452 KOYVELDGHPYCAC-MRXNPFEDSA-N 322.412 3.079 0 40 DGAB CCn1cc(C(=O)N(Cc2ccccc2)c2ccncc2)cn1 97049478 NQDRWOCCXONQKB-UHFFFAOYSA-N 306.369 3.145 0 40 DGAB Cc1cnn(CCNCc2csc(-c3ccc(F)cc3)n2)c1 69810833 RRYWRPZZDUJHSQ-UHFFFAOYSA-N 316.405 3.244 0 40 DGAB Cc1cn(CC(=O)N2CCC[C@@H](n3ccnc3)C2)c2ccccc12 69917598 JBAXMRVTNBYZGF-MRXNPFEDSA-N 322.412 3.010 0 40 DGAB O=C(NCc1ccnc2ccccc12)c1ccc2c(c1)CCO2 84591115 AUQLQCDPPYFIAN-UHFFFAOYSA-N 304.349 3.100 0 40 DGAB O=C(Cc1ccc2ccccc2c1)N1CCN(C2CCCC2)CC1 84605829 RQRHMWIBTOUCHA-UHFFFAOYSA-N 322.452 3.469 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)c1 95418310 SQFQXDXUSPEOHV-SWLSCSKDSA-N 309.841 3.452 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)c2cc(C)no2)cc1 98014128 AQDXOGLDFBLWAL-WBVHZDCISA-N 314.385 3.189 0 40 DGAB COCCN(Cc1ccccn1)C(=O)c1cc(C)cc(Cl)c1 95966886 SVDJWMVXKFQYQA-UHFFFAOYSA-N 318.804 3.332 0 40 DGAB Cc1ncc([C@@H](C)N[C@H](C)COc2ccc(F)cc2)c(C)n1 95967390 NWGROKZJMITEEY-VXGBXAGGSA-N 303.381 3.351 0 40 DGAB O=C(NCCc1cccs1)c1cc2ccccc2c(=O)s1 9970542 PYSXUCFLGBYUOL-UHFFFAOYSA-N 315.419 3.296 0 40 DGAB CC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1SC(C)C 89891021 ZCULHJCFABXDEE-CQSZACIVSA-N 306.431 3.137 0 40 DGAB C[C@@H]1C[C@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 89920360 ZCVGCJCQBKGZHR-HIFRSBDPSA-N 316.474 3.482 0 40 DGAB CCCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1 41095325 GJPMZWITNVXPBA-CJNGLKHVSA-N 311.447 3.332 0 40 DGAB Cc1nccn1-c1cccc([C@@H]2CCCN2C(=O)C2CCC2)n1 72378503 AWSZZOXGXGKXRL-INIZCTEOSA-N 310.401 3.039 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccc(F)cc2)cc1 67086116 XZKNDFCUJWSQOL-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB COCCn1nc(C)c(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1C 79659783 MMJKTOBFLDWIAB-GJZGRUSLSA-N 319.449 3.323 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1cnc(N2CCCCC2)cc1C 72219255 SKABCDFQVVFAHV-QGZVFWFLSA-N 301.434 3.454 0 40 DGAB CCc1ccc([C@@H](NC(=O)c2ccn(C)c(=O)c2)C(C)(C)C)o1 71072088 ZOLZZYJWSVMAOJ-MRXNPFEDSA-N 316.401 3.058 0 40 DGAB CCN1CCN(C(=O)c2cc(C(C)C)cc(Cl)c2OC)CC1 72206602 QCSUOMBOKRSJJX-UHFFFAOYSA-N 324.852 3.250 0 40 DGAB Cc1[nH]c2ccc(C(=O)NCCN(C)C3CCCC3)cc2c1C 78442950 FIJXJAGUIFRYRN-UHFFFAOYSA-N 313.445 3.389 0 40 DGAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2ccc(F)cc2)C1 72365754 LQSYJIWYVBYTHE-CQSZACIVSA-N 313.376 3.084 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1cc(C(F)(F)F)nn1C 560069149 NAZIBMIZYLGUII-UHFFFAOYSA-N 311.307 3.101 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCc2ccc(C(N)=O)cc2)cc1 36727969 VLODCMPNYGHCSW-UHFFFAOYSA-N 310.397 3.013 0 40 DGAB Cc1cc(C)c2c(c1)cc(C)c1nn(Cc3ccccn3)c(=O)n12 72347047 KKWSAVKIORLWSC-UHFFFAOYSA-N 318.380 3.018 0 40 DGAB Cc1ccsc1CCC(=O)N1[C@H]2CC[C@H]1c1cncnc1C2 238955540 XWWYNORNZLXRKA-WFASDCNBSA-N 313.426 3.068 0 40 DGAB COc1ccc(CN(C)C(=O)NC2CCCCC2)cc1OC 43466201 RMNBPLZVWUWWTG-UHFFFAOYSA-N 306.406 3.178 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCC 223141555 VHCQMPDDWSNKSI-MRXNPFEDSA-N 318.461 3.429 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 44845061 BJWIPWFCVFPMOP-UHFFFAOYSA-N 324.789 3.388 0 40 DGAB CSC[C@H](CCO)N[C@H](C)c1ccccc1Br 195540968 HUGRIPKOJPJTLL-MNOVXSKESA-N 318.280 3.214 0 40 DGAB O=C1CCC[C@H]1[C@H]1CCCN1C(=O)Cc1cccc2cccnc12 329258652 YMIPNHCHMFHMOB-DLBZAZTESA-N 322.408 3.138 0 40 DGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)[nH]1 222943259 RRCZODSZHBSMCE-HOTGVXAUSA-N 314.458 3.347 0 40 DGAB COc1ccc(NC(=O)NCCc2ccccc2C)cc1OC 40023918 LLLSPMXTUBEAJZ-UHFFFAOYSA-N 314.385 3.376 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H](CCC(=O)O)C1 195552080 AVRKSGPITMRFJH-BHYGNILZSA-N 315.413 3.202 0 40 DGAB Cc1csc([C@@H](OC(=O)c2cccn2C)C(F)(F)F)n1 96456259 DCUYQODCRADKLC-SECBINFHSA-N 304.293 3.250 0 40 DGAB CC(C)Oc1cccc([C@@H](O)CNC(=O)Nc2cccs2)c1 96408716 YCCABDOEGXLQSV-AWEZNQCLSA-N 320.414 3.390 0 40 DGAB Cc1coc(C(=O)N2CCC[C@H](NCc3ccccc3)C2)c1C 585083061 LVLQZDOCYAYZKG-KRWDZBQOSA-N 312.413 3.291 0 40 DGAB COc1ccccc1/C=C/CNCCCO[C@@H]1CCCCO1 585118480 QGJTZPHBBDRLOZ-AHKGRUIUSA-N 305.418 3.231 0 40 DGAB Cc1ncsc1CN1CC[C@@H](c2ncn3ccsc23)C1 257283824 OZZKIKVKNKDXOF-LLVKDONJSA-N 304.444 3.150 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 257228857 FVOGRCJGQMRTLX-INIZCTEOSA-N 309.413 3.124 0 40 DGAB C[C@@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C(=O)O)cc2)C1 455614514 DGBYYBIPPQYEKT-FZKQIMNGSA-N 305.418 3.052 0 40 DGAB CO[C@@H]1CCCN(Cc2c(C)nn(-c3ccccc3)c2C)CC1 377240538 DGSQLCVOLMDNPC-GOSISDBHSA-N 313.445 3.490 0 40 DGAB O=S1(=O)C=C[C@H](N(Cc2cccc(F)c2)c2ccccc2)C1 575420467 IXFFGGKZMMRHQA-KRWDZBQOSA-N 317.385 3.143 0 40 DGAB CCc1n[nH]c(NC(=O)[C@H]2C[C@@H]2c2ccco2)c1Br 75093049 FMYQLRWTRUIKIR-YUMQZZPRSA-N 324.178 3.070 0 40 DGAB Cc1cc(C)cc([C@@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)c1 71885954 KDKUHZMSMKNIGG-ZIAGYGMSSA-N 314.433 3.467 0 40 DGAB C[C@H](c1cccnc1)N1CCN(C(=O)CC2=CCCCC2)CC1 71908186 GUPBITJCUMPGHS-MRXNPFEDSA-N 313.445 3.177 0 40 DGAB Cc1occc1-c1nnc(NCc2cn(C)nc2C(C)(C)C)o1 97114432 LFHWRAUIXZXJAL-UHFFFAOYSA-N 315.377 3.281 0 40 DGAB Cc1nc(CN2CC[C@H](Cc3cccc(F)c3)[C@H](O)C2)cs1 1615087814 ZQTOXTMJWGZVTK-RHSMWYFYSA-N 320.433 3.016 0 40 DGAB O=C(Cn1cnc(Cl)c1Cl)Nc1cccc(Cl)c1 161043 GYJKPFPCYHRGQG-UHFFFAOYSA-N 304.564 3.482 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)CC1CCCC1 12811111 MSEHJXNNZDZQAG-LBPRGKRZSA-N 305.374 3.146 0 40 DGAB O=C(CCc1nc(-c2ccccc2)no1)N1CCc2ccccc21 14237101 YBWGRHORFHPDFS-UHFFFAOYSA-N 319.364 3.259 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1 14404466 KIXMVYMSAVVIFR-UHFFFAOYSA-N 300.362 3.017 0 40 DGAB O=C(N[C@@H](Cc1cccs1)c1nccs1)c1ccncc1 19343320 HGXDZSMWPMUKBR-ZDUSSCGKSA-N 315.423 3.313 0 40 DGAB Cc1cc(-c2cnc3ccc(Cl)cn23)nc([C@@H]2CCCN2)n1 643550837 OSUJFHYHOPYDGC-LBPRGKRZSA-N 313.792 3.178 0 40 DGAB Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)cc1 116229 VTVHHOVUHHDUHU-HNNXBMFYSA-N 301.317 3.080 0 40 DGAB O=C(Nc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCO1 4751767 XLGZGTLRPCCBTR-INIZCTEOSA-N 310.353 3.056 0 40 DGAB O[C@@H](CNc1ncnc2cnccc12)c1csc2ccccc12 1775970922 KDWZCXZULZKCKB-HNNXBMFYSA-N 322.393 3.385 0 40 DGAB CCc1ccc(NC(=O)NCCc2ccc3c(c2)OCO3)cc1 40097937 BHTVEHFWVSTYEG-UHFFFAOYSA-N 312.369 3.342 0 40 DGAB CCN(Cc1ccc(F)c(F)c1)Cc1nnsc1Cl 52131442 NEFQTLQNXKQKDL-UHFFFAOYSA-N 303.765 3.492 0 40 DGAB CSCc1c(C(=O)O[C@@H]2C[C@@H](C)OC2=O)oc2ccccc12 32736484 NITWZHQYSBANKN-NOZJJQNGSA-N 320.366 3.157 0 40 DGAB Cc1nc(Cl)cc(Nc2cccc(N3CCCNC3=O)c2)n1 76064219 KXNXBCNWCYYFCD-UHFFFAOYSA-N 317.780 3.102 0 40 DGAB Cc1cc(=O)oc2cc(OCc3ccc(C(=O)O)cc3)ccc12 408783 VYVQQZMKVHGRJA-UHFFFAOYSA-N 310.305 3.379 0 40 DGAB biogenic COc1ccc(-c2cc(=O)c3c(O)cc(C)cc3o2)cc1OC 1721523 KWEKJLXMURGVRF-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccc(F)c(Cl)c2)Cc2ccccc21 1887435 QJRPKUWIBBTDRG-AWEZNQCLSA-N 319.719 3.199 0 40 DGAB O=C(O)[C@H]1c2ccc(O)cc2CCN1c1ccc(Cl)cc1 2527050 BTPLOPHTNJGUOS-OAHLLOKOSA-N 303.745 3.234 0 40 DGAB CCOc1ccc(C(C)=O)cc1COC(=O)c1cccc(O)c1 3510677 POBIJMHAYKLEJN-UHFFFAOYSA-N 314.337 3.351 0 40 DGAB C[C@@H](NC(=O)c1ccccc1O)c1ccc(-n2ccnc2)cc1 21920832 JMGNWQCUKOGDDM-CYBMUJFWSA-N 307.353 3.069 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 33228842 VBBFUZDNLZQKBN-NSHDSACASA-N 320.414 3.312 0 40 DGAB CC(C)n1nccc1NC(=O)c1cccc(NC(=O)C2CC2)c1 22288624 LKPWGLFLQLSNNP-UHFFFAOYSA-N 312.373 3.065 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc3c(c2)C(=O)OC3)cc1 6642434 HTOQPUQCYAXTLE-RUDMXATFSA-N 309.321 3.018 0 40 DGAB O=C(C[C@@H]1CCCO1)N1CCC(c2nc3ccccc3o2)CC1 47049002 VSAFVBQEYZRGIU-AWEZNQCLSA-N 314.385 3.103 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)CCc3ccsc3)C2)c1 69516474 OXVAOEGROZBPPP-HNNXBMFYSA-N 303.431 3.049 0 40 DGAB COc1cccc(CNC(=O)/C=C/c2nc3ccccc3o2)c1 22638018 ZJEQEHMSHULBNT-MDZDMXLPSA-N 308.337 3.166 0 40 DGAB CC(=O)CCSc1cc(C(=O)NC2CC2)c2ccccc2n1 17274266 VYTPHFONSFEAFC-UHFFFAOYSA-N 314.410 3.198 0 40 DGAB COc1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)C1)C2(C)C 100749286 RUTVOTPITWJIKI-QZTJIDSGSA-N 301.386 3.419 0 40 DGAB Cc1cc(COc2ccc(N(C)C(=O)NC(C)C)cc2)on1 54247099 JJDGEAIRAOIGPX-UHFFFAOYSA-N 303.362 3.116 0 40 DGAB Cc1cccc(CCC(=O)Nc2ccc(N3CCNC3=O)cc2)c1 54325730 CHMARICPGDDBGZ-UHFFFAOYSA-N 323.396 3.096 0 40 DGAB Cc1ccc(F)c(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 54355706 CNNHGBBRBSVOFJ-ZDUSSCGKSA-N 318.352 3.154 0 40 DGAB Cc1ccc(CSCCNC(=O)COc2ccccc2)cc1 24606115 VPDOBPPPFYKBBX-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB CCn1c(C)cc(C(=O)Nc2ccc(-c3ncn(C)n3)cc2)c1C 97140538 ZOUQDYBLCZAIPX-UHFFFAOYSA-N 323.400 3.173 0 40 DGAB O=C(O)c1[nH]nc(-c2ccccc2Cl)c1Br 53944213 CPCHEKRUYGLQLP-UHFFFAOYSA-N 301.527 3.191 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)Cc2ccsc2)c(C)c1 3236998 BEBQQBLFAGSKOM-UHFFFAOYSA-N 317.410 3.398 0 40 DGAB CC[C@H](NC(=O)NCc1csc(C)n1)c1ccc(OC)cc1 48236842 ADDKTBSTGHMJBC-HNNXBMFYSA-N 319.430 3.411 0 40 DGAB COc1ccc(F)cc1S(=O)(=O)Nc1c(C)cccc1C 10301863 LWMMCOXZCXYDMS-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(Nc1cccc2ccccc12)c1cccc(-n2cnnc2)n1 21157313 KJOYZGRDUHADFU-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB COc1cccc([C@@H](CNc2cc(Cl)nc(C)n2)N(C)C)c1 60340059 QVMIONVZXJJHIL-CQSZACIVSA-N 320.824 3.162 0 40 DGAB Cc1sc2ncnc(NC[C@@H](C)Cn3cccn3)c2c1C 58412623 GACUWHFXBYRCDH-SNVBAGLBSA-N 301.419 3.253 0 40 DGAB O=C(NC1CC1)[C@H](Nc1ccc(F)cc1)c1ccc(F)cc1 11128734 VJHDBYADSOALLQ-MRXNPFEDSA-N 302.324 3.397 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 48324731 IUEPFWXMIFHMBN-LRDDRELGSA-N 322.836 3.166 0 40 DGAB Cc1cc(C)n(-c2ccc(CNCc3ccccc3C)cn2)n1 48742473 LZHJCGPVPCKXJV-UHFFFAOYSA-N 306.413 3.482 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](c2ccc(F)cc2)Nc2nc(N)nn21 13132191 NIDOIRMPUZLJEG-CVEARBPZSA-N 323.375 3.454 0 40 DGAB aggregator Cc1cccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)c1 13799565 JOPUSAZZHUKGIL-HXUWFJFHSA-N 307.417 3.255 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1ccccc1F 5180351 IELUHNRZECLHGE-SGWGQVFISA-N 322.383 3.463 0 40 DGAB Cc1noc(C)c1CNC(=O)N(Cc1cccc(F)c1)C1CC1 65464345 ZYDIIGHSTCEGAF-UHFFFAOYSA-N 317.364 3.305 0 40 DGAB COCc1nnc(NC(=O)c2c(Cl)cccc2Cl)s1 4472817 WKZIOSUZVFYZIK-UHFFFAOYSA-N 318.185 3.244 0 40 DGAB S=c1n(CN2CCCC2)nc2c(Cl)cc(Cl)cn12 6566053 QXQBKYWUTGQCJU-UHFFFAOYSA-N 303.218 3.225 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccccc2F)CC1 9060826 NTUGGTPMKRSIAL-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB CSc1ccc(Cl)c(C(=O)Nc2cccc(C(N)=O)c2)c1 15540016 PDYYJJGZOJBZTH-UHFFFAOYSA-N 320.801 3.413 0 40 DGAB c1ccc([C@H](NCc2cccnc2N2CCOCC2)C2CC2)cc1 91283897 YLXCXUFHKYKYSS-IBGZPJMESA-N 323.440 3.159 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 69117592 ZPZHRWPQEYHHHS-CABZTGNLSA-N 317.414 3.306 0 40 DGAB C[C@@H]([C@@H](C)NCc1csc(-c2ccco2)n1)n1cccn1 69372315 ONYYUFADYAAHSA-NEPJUHHUSA-N 302.403 3.339 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cccc2nccnc12 96013748 VRLJGUZLNWSDSN-UHFFFAOYSA-N 303.365 3.091 0 40 DGAB Cc1cnn(C[C@H](C)NCc2coc(-c3cccs3)n2)c1 71872162 PLQHFPRKJUJMNV-LBPRGKRZSA-N 302.403 3.086 0 40 DGAB CSC[C@@H](C)C(=O)NCCSCc1ccnc(Cl)c1 95458530 IDYKZTRMRMLFGR-SNVBAGLBSA-N 318.895 3.084 0 40 DGAB Cc1cc(NC(=O)CN(C)Cc2ccsc2)n(C(C)(C)C)n1 71904612 NNXOFJBLNHGLCG-UHFFFAOYSA-N 320.462 3.079 0 40 DGAB COc1ncccc1C(=O)NCCC12CC3CC(CC(C3)C1)C2 83915299 ZYDFRMOSSMWFEI-UHFFFAOYSA-N 314.429 3.427 0 40 DGAB Cc1cc(NC(=O)c2ccnc(SC(C)(C)C)c2)c[nH]c1=O 97048443 QVBZQAFYJJOSII-UHFFFAOYSA-N 317.414 3.221 0 40 DGAB CCNC(=O)CCCC(=O)N(Cc1ccco1)c1ccccc1 95958589 YDWVQHKNANOMGC-UHFFFAOYSA-N 314.385 3.119 0 40 DGAB CC(C)[C@@H](C)N(CC(F)(F)F)C(=O)c1ccc2nccn2c1 74583163 GWDXEGZNPLFSPH-LLVKDONJSA-N 313.323 3.383 0 40 DGAB O=C(CCC1CCCCCC1)N1CC[C@H](CO)C(F)(F)C1 1553649197 XLHFWOBQSCLBSC-CQSZACIVSA-N 303.393 3.213 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 4655085 VRHVOUYZPKSINF-XNTXBEAUSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro Cc1nccn1-c1cccc([C@H]2CCCN2C(=O)C2CCC2)n1 72378504 AWSZZOXGXGKXRL-MRXNPFEDSA-N 310.401 3.039 0 40 DGAB CS[C@@H](C)c1nc(C2(NC(=O)OC(C)(C)C)CCC2)no1 78775006 OHVMDGFKGTVVCM-VIFPVBQESA-N 313.423 3.398 0 40 DGAB O=C(CCCNC(=O)C1CC1)Nc1ccc(Cl)c(Cl)c1 32644245 HPQXWMXNJQIYGO-UHFFFAOYSA-N 315.200 3.238 0 40 DGAB CC(C)(C)c1ccc(=O)n(Cc2ccc(-c3ccccn3)nc2)n1 563880404 XKCMMTMPXNFPPG-UHFFFAOYSA-N 320.396 3.046 0 40 DGAB O=C(O)c1cnc(OC2CCCCC2)c(Br)c1 40447918 MFXHNLLCABQTJH-UHFFFAOYSA-N 300.152 3.254 0 40 DGAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cn1 225889019 UUPQBXRUSMFYSL-SUMWQHHRSA-N 306.406 3.404 0 40 DGAB C[C@@H]1CC(C)(C)C[C@H]1NC1CCN(Cc2ccncc2)CC1 193124989 FAKMXCNHEZWDFT-CRAIPNDOSA-N 301.478 3.460 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CCOCc3ccccc32)n1 329947438 JZUYQLAIIMFOOC-UHFFFAOYSA-N 312.369 3.046 0 40 DGAB FC(F)(F)c1ccc(I)c(Cl)n1 47218626 OQDHZJUOSNEOQF-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB Cc1cccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)c1 225219744 XIKJZCIZAXNCAY-MRXNPFEDSA-N 302.462 3.368 0 40 DGAB Cc1cccc(NC(=S)NCCCN2CCC[C@@H](C)C2)c1 44080826 FUENMFWOUGBQPG-OAHLLOKOSA-N 305.491 3.403 0 40 DGAB O=C(c1cccs1)N1CC[C@@H](N2CCc3ccccc3C2)C1 238868948 MKUOOFXDIHPUQE-MRXNPFEDSA-N 312.438 3.021 0 40 DGAB CCn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1ccoc1)C2 96059930 PEZPUTWSSLBKJT-KRWDZBQOSA-N 315.417 3.022 0 40 DGAB CCc1[nH]nc(NCc2ccc(Oc3cnccn3)cc2)c1C 96482410 PTXMCBWRLWDMHO-UHFFFAOYSA-N 309.373 3.475 0 40 DGAB Cc1ccc2cccc(C(=O)N3C[C@@H](C)Oc4ncccc43)c2n1 95460629 GYUAOKQGNJYGLG-CYBMUJFWSA-N 319.364 3.366 0 40 DGAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1cnc(-c2ccccc2)nc1 579627705 HZHUKJZGFRFNDR-ZACQAIPSSA-N 309.413 3.047 0 40 DGAB O=C(NCCn1ccnc1)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 96424991 GGEKKFYEGQEVAK-ZIAGYGMSSA-N 324.211 3.110 0 40 DGAB COCCOc1ccccc1NC(=O)N1CC(C)(C)C1(C)C 96447147 DLMFERYQQZZHRT-UHFFFAOYSA-N 306.406 3.364 0 40 DGAB CCOc1cccc(C=O)c1OCC(=O)Nc1ccc(C)cc1 95095103 LDTHJYYSRCTFFS-UHFFFAOYSA-N 313.353 3.224 0 40 DGAB O=C(NCc1ccc(Cl)cc1)NC[C@H]1COc2ccccc21 342124377 OVYCERCTMDYIHP-ZDUSSCGKSA-N 316.788 3.315 0 40 DGAB CCCCN(C)c1ccc(C(=O)N[C@H](C)c2cnccn2)cc1 585086787 FKHWPBBLFYWFKX-CQSZACIVSA-N 312.417 3.204 0 40 DGAB COc1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)cc(OC)c1 257312736 UPIBETMQFQCLHB-HNNXBMFYSA-N 315.417 3.115 0 40 DGAB COc1ccc(C(=O)NC[C@H](OC)c2cccc(F)c2)cc1F 96388331 ARFLUWIYWKWVIA-INIZCTEOSA-N 321.323 3.091 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 60158293 VUBLTIIZYZGYEH-ZDUSSCGKSA-N 309.369 3.069 0 40 DGAB COc1cccc(NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1 496598 VOKXXHHRWFCNJU-CSKARUKUSA-N 313.353 3.364 0 40 DGAB CCCCS(=O)(=O)Nc1c(C)nn(Cc2ccccc2)c1C 14223503 CWRHEENCPCXRLE-UHFFFAOYSA-N 321.446 3.090 0 40 DGAB CC(C)CNC(=O)c1ccc2c(c1)[nH]c(=O)n2C1CCCCC1 5001814 SMMDXLICVCAUCP-UHFFFAOYSA-N 315.417 3.221 0 40 DGAB Cn1cc([C@H]2CCCCCN2C(=O)c2c(F)cccc2F)cn1 12232543 ITBWJRAJPJHROK-OAHLLOKOSA-N 319.355 3.456 0 40 DGAB COc1cccc(OC)c1C(=O)NCCCc1ccc(C)cc1 13671184 CIINZGHMAYFDBH-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CC(C)c1ncc(CN2CCC(N3CCCCC3)CC2)cn1 19454012 JTVJIIIJGIRGRX-UHFFFAOYSA-N 302.466 3.050 0 40 DGAB Cc1cc(C)c2c(c1)cc(C)c1nn(Cc3cscn3)c(=O)n12 19568314 QQBYQLNNQGFFAO-UHFFFAOYSA-N 324.409 3.079 0 40 DGAB CCn1cncc1CN1CCC[C@@H](c2cc3cccnc3[nH]2)C1 19578636 FRCNQJFRPFEIFG-OAHLLOKOSA-N 309.417 3.159 0 40 DGAB CO[C@@H](CNC(=O)Cc1c(F)cccc1Cl)c1ccco1 206862176 RVUBBNSATUFBTB-AWEZNQCLSA-N 311.740 3.119 0 40 DGAB CC(C)(C)C(=O)N1CC[C@@H](COc2ccc(C(C)(C)C)nn2)C1 1888842665 NCOQYIAJKNXKEL-CYBMUJFWSA-N 319.449 3.048 0 40 DGAB O=C(CC1CCCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888843348 QLMSFAGCAKINAK-UHFFFAOYSA-N 323.824 3.080 0 40 DGAB CC(C)NC(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888869929 JTWHFLJGLQTJQO-UHFFFAOYSA-N 300.406 3.134 0 40 DGAB Cn1nccc1-c1ccc(CCNC(=O)/C=C/c2ccco2)cc1 1889208818 IPPMSPKXXNCTNV-CMDGGOBGSA-N 321.380 3.052 0 40 DGAB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@]1(C)O 4143759 GIWADHSGRXSAST-IKGGRYGDSA-N 319.788 3.281 0 40 DGAB O=C1N(c2cccc(Cl)c2)[C@@H](c2cccnc2)N2CCCN12 4622994 PPNPSDICQWFWKR-HNNXBMFYSA-N 314.776 3.297 0 40 DGAB CC(C)CNC(=O)Cc1csc2nc(-c3ccccc3)cn12 5146558 PLSYETVVUFCKQO-UHFFFAOYSA-N 313.426 3.378 0 40 DGAB CC[C@@H](C(=O)NC[C@@H](c1ccco1)n1cccn1)c1ccccc1 575613664 JQBRBVLWRSVUMJ-SJORKVTESA-N 323.396 3.376 0 40 DGAB O=C(NC1CCN(c2nccc3sccc23)CC1)C1CCC1 2298179666 OQGIXBXHRBHJMX-UHFFFAOYSA-N 315.442 3.181 0 40 DGAB Fc1ccc(-c2nnn(Cc3ncc(-c4ccccc4)o3)n2)cc1 7394683 NSZFALBBRGVBAU-UHFFFAOYSA-N 321.315 3.183 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)N(C)c2nc(C)cs2)c1 40134596 RFIFJNOHTZUFHQ-VMPITWQZSA-N 318.398 3.145 0 40 DGAB CCc1ccc(CN(C)C(=O)c2ccc(CNC(C)=O)cc2)cc1 40462898 RLTHFRDZHJRQPZ-UHFFFAOYSA-N 324.424 3.157 0 40 DGAB CC(=O)Nc1nonc1-c1nc2ccccc2n1CCC(C)C 108800 PVLGSTFKFFQNMN-UHFFFAOYSA-N 313.361 3.091 0 40 DGAB CCc1noc([C@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)n1 51531547 KJMVVFDDXLCOKX-GUYCJALGSA-N 315.417 3.139 0 40 DGAB CC(=O)c1ccccc1NC(=O)CCCNC(=O)c1ccccc1 32517952 XBBDTDMHZKVFLF-UHFFFAOYSA-N 324.380 3.038 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)cn1 32776671 JZIVFCVEYBESPS-KRWDZBQOSA-N 312.369 3.200 0 40 DGAB CC(C)OCCCNC(=O)N[C@H](C)c1ccc(F)c(F)c1 32795191 XGYOMOPPNRVMJI-LLVKDONJSA-N 300.349 3.140 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)NCCC(F)(F)F)cc2)o1 84291667 IVHRCBQLRACFKH-UHFFFAOYSA-N 314.267 3.119 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2ccc(Cl)cc2)CC1 473513 UQYYTQBIBUHQGU-JJRVBVJISA-N 318.848 3.425 0 40 DGAB COc1cc(C(=O)Nc2nccs2)ccc1OC(F)F 2796980 JZRBQWXQBQHUEX-UHFFFAOYSA-N 300.286 3.005 0 40 DGAB Cc1nccc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)n1 84290678 ZMJKYGVVNIBOSQ-XHDPSFHLSA-N 311.385 3.306 0 40 DGAB CC1(C)[C@@H](OC(=O)CCC(=O)c2cccs2)[C@H]2CCCO[C@H]21 78948618 LPBTZRAVDUPCDT-XZJROXQQSA-N 322.426 3.458 0 40 DGAB CCCc1cc(N2CCCC[C@H]2CC(C)C)n2ncnc2n1 79097947 MOHKEKFCXYKHBT-HNNXBMFYSA-N 301.438 3.482 0 40 DGAB CNC(=O)[C@]12CC[C@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 2854020 SKUOWORXAYFSPD-UXHICEINSA-N 323.440 3.322 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2ccc(C)cc2)c1C 3483693 MBHLUICWIUNGJZ-UHFFFAOYSA-N 315.369 3.474 0 40 DGAB O=C(NCc1ccoc1)NCc1csc(Br)c1 47042771 GEGWDNXZYJHLOZ-UHFFFAOYSA-N 315.192 3.103 0 40 DGAB CC1=NN(c2ccc(C(=O)N(C)Cc3ccc(O)cc3)cc2)CC1 52963809 UJWCGLRKCJYNOP-UHFFFAOYSA-N 323.396 3.250 0 40 DGAB Cc1noc(C)c1C(=O)NCCc1ccccc1Br 61264501 VLSWKTASTBGLAS-UHFFFAOYSA-N 323.190 3.026 0 40 DGAB CCCn1cc(NC(=O)Cn2c(C)cc3ccccc32)ccc1=O 47184779 JHUOOUCZVLHUHQ-UHFFFAOYSA-N 323.396 3.160 0 40 DGAB COc1cccc(CNC(=O)COc2cc(C)ccc2Cl)c1 7007828 QPKUPRNQMUHLFJ-UHFFFAOYSA-N 319.788 3.352 0 40 DGAB CSc1ccc(/C=C(\Sc2nnc(C)o2)C(=O)O)cc1 7603510 GGVMMUGYHYSWIQ-XFFZJAGNSA-N 308.384 3.318 0 40 DGAB COc1ccc(C(=O)NCCSCc2ccccc2)cc1F 7643188 LMSOZBPZTTTWFK-UHFFFAOYSA-N 319.401 3.498 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCN(c2ccc(F)cc2)CC1 7954049 RFWUZNQFKHKFQG-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@H]3CC=CCC3)c2)n1 47317672 YYGOCRXPNXFXDI-ZDUSSCGKSA-N 309.369 3.040 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1 8097694 HCCQASDXGIXJGA-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 33881808 XQZXQXXNAYFITQ-GFCCVEGCSA-N 324.808 3.455 0 40 DGAB C[C@@H](O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 101089929 ZUJMMGHIYSAEOU-IUODEOHRSA-N 310.349 3.401 0 40 DGAB in-vitro Cn1c(SCc2ccc(F)cc2)nc(C(F)(F)F)cc1=O 1400818 CMUMQYGOQFEXCB-UHFFFAOYSA-N 318.295 3.231 0 40 DGAB COc1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 1471291 GDNJIILOOOJOHS-UHFFFAOYSA-N 302.355 3.233 0 40 DGAB C[C@H](NC(=O)Cn1ccc2ccccc2c1=O)c1ccc(F)cc1 12613052 BQIDCLYGNDZDHU-ZDUSSCGKSA-N 324.355 3.018 0 40 DGAB CC(C)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 28645753 DIFFPMWEOKCEOY-QGZVFWFLSA-N 310.397 3.072 0 40 DGAB COc1ccc([C@H]2CC(O)=Nc3c2ncn3-c2cccnc2)cc1 44902088 JKBRHPPFUQMIEX-OAHLLOKOSA-N 320.352 3.400 0 40 DGAB C[C@@H]1c2cccn2CCN1Cc1nc(-c2ccsc2)no1 12792795 FMIAOMKCAOWZNV-LLVKDONJSA-N 300.387 3.176 0 40 DGAB Cc1ccccc1OCC(=O)NCC1(c2cccs2)CC1 22680333 SLBZGVIASXQHFT-UHFFFAOYSA-N 301.411 3.283 0 40 DGAB O=C(NCc1ccc(O)cc1)N1CCC[C@H]1Cc1ccccc1 45526964 TVFGZDJMPYZJGM-KRWDZBQOSA-N 310.397 3.309 0 40 DGAB C[C@@H](NC(=O)c1ccc(O)nc1)c1cccc(C(F)(F)F)c1 18016060 KJHXYNNMAOBVOQ-SECBINFHSA-N 310.275 3.297 0 40 DGAB COc1ccccc1NC(=O)CSc1ccccc1C(=O)O 12937139 GDIZRAZRTXQLAT-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 12924482 YOMHHLRKIVSOOT-DOMZBBRYSA-N 324.833 3.041 0 40 DGAB O=c1[nH]ncc(NCCc2cccc(Cl)c2Cl)c1Cl 49321197 KHYTUOQDRRGOMJ-UHFFFAOYSA-N 318.591 3.385 0 40 DGAB CCc1ccc(NC(=O)COc2ccc(C=O)cc2OC)cc1 4201538 TXCFQCBQAIOCSY-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB O=C(NCCc1ccccc1C(F)(F)F)c1ccccc1O 65139475 KGIVNXFBDXIPSC-UHFFFAOYSA-N 309.287 3.384 0 40 DGAB Cc1ccc(NC(=O)C[C@@](C)(C(=O)O)c2ccccc2)c(O)c1 8919213 RNOWWLWEZYGJMZ-GOSISDBHSA-N 313.353 3.072 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 5442776 GVKCOQWASIXMLJ-KRWDZBQOSA-N 309.365 3.281 0 40 DGAB COc1ccc(N(C)C(=O)Nc2ccc3nccnc3c2)cc1 4778155 GQXCJOFZLLQEPQ-UHFFFAOYSA-N 308.341 3.307 0 40 DGAB C[C@H](Sc1ncccn1)C(=O)N[C@H]1CCCc2ccccc21 6913188 TXUUDZOWVOXOBL-WFASDCNBSA-N 313.426 3.151 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1F 7073906 LVVIEWVDXTYNOS-SNVBAGLBSA-N 317.316 3.054 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cccc(F)c1)N1CCC[C@@H]1CN1CCCC1 67614087 JDRVZCANCBCXBZ-KZNAEPCWSA-N 316.420 3.016 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Nc2cccc(F)c2N)CC1 67800651 TXSTZSAIPQLNTF-UHFFFAOYSA-N 309.385 3.219 0 40 DGAB Cc1cnc(NC(=O)[C@H]2CCCN2Cc2ccc(F)cc2)s1 80576109 BQPURKSTCJHPJQ-CQSZACIVSA-N 319.405 3.194 0 40 DGAB Cc1ccc(NC(=S)N(CCO)Cc2ccccc2)cc1C 7526932 UYEVJLIOHQURNH-UHFFFAOYSA-N 314.454 3.495 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)Cc2cccs2)cc1 69584861 WYAMREYMSGKJBO-CYBMUJFWSA-N 303.427 3.389 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1C(=O)N1CCC(n2cccc2)CC1 69586336 BCOUXWHUBNAJIY-MSOLQXFVSA-N 324.424 3.464 0 40 DGAB COc1ccccc1-c1cc(Cn2c(=O)oc3ccccc32)on1 23057286 FYJPCMGUWDPNIA-UHFFFAOYSA-N 322.320 3.306 0 40 DGAB CCc1cccc(NC(=O)NCCc2nccn2C(F)F)c1 69533040 PAGCIINWIHOORJ-UHFFFAOYSA-N 308.332 3.205 0 40 DGAB COc1ccc(C(=O)N2CC[C@H](c3cccc(F)c3)C2)c(O)c1 69617786 LXGDYXXHDZSBIN-ZDUSSCGKSA-N 315.344 3.170 0 40 DGAB CC(=O)c1ccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)cc1 71882494 NTUHXGVUMWLHRJ-QGZVFWFLSA-N 323.396 3.290 0 40 DGAB C[C@@H](C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1)n1cncn1 71903450 AJFJLSRHFFNSMA-BLLLJJGKSA-N 316.380 3.026 0 40 DGAB Cc1nnc(SCCCn2ccnc2)n1C1CCCCC1 97375568 HRDUIJVYUBLXGO-UHFFFAOYSA-N 305.451 3.471 0 40 DGAB O=C([C@H]1CCc2ccccc21)N1CCC[C@@H]1c1noc(C2CC2)n1 84581846 YIGHMUYQLGJMAF-JKSUJKDBSA-N 323.396 3.341 0 40 DGAB CC(C)N(C(=O)[C@H]1C[C@]12CCc1ccccc12)C1CCOCC1 84597228 IVHOORUKUUBSSX-QUCCMNQESA-N 313.441 3.307 0 40 DGAB Cc1cc(C)nc(NC[C@H](c2ccco2)N2CCCCC2)n1 97008941 HDFCFLDQCQBVMP-OAHLLOKOSA-N 300.406 3.326 0 40 DGAB Cn1cc(CNC[C@H]2CCN(C3CC3)C2)c(C2CCCCC2)n1 97086497 GIWHBRZMQNUZRH-OAHLLOKOSA-N 316.493 3.042 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)c3cc(C)sc3C)C2)no1 72231926 GZBNXUFYLRSCCW-LBPRGKRZSA-N 305.403 3.076 0 40 DGAB O=C(NCc1ccccc1)c1cc(NCc2ccccc2)ncn1 72233714 FHCYZTUDFWIOBM-UHFFFAOYSA-N 318.380 3.019 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)no1 72299003 AYBVIQJUIXDHIF-ZDUSSCGKSA-N 317.414 3.296 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F)c1cncc(F)c1 95465088 DWAUCNSLFBTGNM-XDTLVQLUSA-N 320.314 3.480 0 40 DGAB O=C(c1ccc(Cl)cn1)N(C[C@@H](O)c1ccccc1)C1CC1 95430135 UPXWUWAEAZOEOP-MRXNPFEDSA-N 316.788 3.073 0 40 DGAB CC(C)c1nc(C(=O)Nc2nncn2-c2ccccc2)cs1 95988459 GUHLZEAYKJWYLH-UHFFFAOYSA-N 313.386 3.100 0 40 DGAB O=C(Nc1ccccn1)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 89261768 QTKPUGRFXVKPJC-DZGCQCFKSA-N 317.776 3.387 0 40 DGAB O=C(c1cscn1)N1CC[C@H](OCCCc2ccccc2)C1 89830542 KHIUVDMJPZIXLA-HNNXBMFYSA-N 316.426 3.007 0 40 DGAB O=c1[nH]c(Cc2cnoc2)nc2scc(-c3cccs3)c12 89800060 WFBFNPFVOVTXGS-UHFFFAOYSA-N 315.379 3.292 0 40 DGAB C[C@@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 22089194 UWVRKKXBBZGDRZ-ZIAGYGMSSA-N 304.434 3.032 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CCC(Cn2cccn2)CC1 62017691 KQOGJICBOXZPKM-UHFFFAOYSA-N 321.783 3.228 0 40 DGAB COc1ccc(SCC(=O)N(C)Cc2ccccc2)cc1 20492694 NOQLGBAIOFWSHU-UHFFFAOYSA-N 301.411 3.446 0 40 DGAB COc1ccc2oc(-c3cccc(OC)c3OC)cc(=O)c2c1 57847 JAJRYQVSBTWNTH-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic CC(=O)N1CCC[C@H]1c1nc(C)cc(NC2CCCCC2)n1 72364683 LFGLXEHAAJDQCW-HNNXBMFYSA-N 302.422 3.213 0 40 DGAB NNc1nc2cc(NC(=O)c3ccccc3Cl)ccc2s1 72229790 QSUVFELVDSLMDP-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB CC(C)OCCCNC(=O)Cn1ccc2c(Cl)cccc21 32092518 YQBKNIQVTRKEHC-UHFFFAOYSA-N 308.809 3.226 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(F)c2)c1 39585225 ISRVEQUIDRKNDP-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1ncccc1CN[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 131453734 ZQOZMAPFUMOBQR-CVEARBPZSA-N 319.449 3.316 0 40 DGAB COc1cc(C(=O)OC[C@H]2CC=CCC2)cc(OC)c1OC 72510646 ACSZJAZUVNRULT-LBPRGKRZSA-N 306.358 3.226 0 40 DGAB CC(=O)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 72368096 RLSBDKILLKVQGU-LBPRGKRZSA-N 302.403 3.008 0 40 DGAB Cc1ccc(F)cc1NC(=S)Nc1ccc(C(N)=O)cc1 71761581 NHRQQFVYBSVKCX-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cccc(O)c2)c(C)cc1Cl 32601895 NMARBJRDEZHITO-UHFFFAOYSA-N 311.790 3.463 0 40 DGAB CC(C)(C)OC(=O)N1CCN[C@H](c2c[nH]c3ccccc23)C1 71656515 DZIHXDMDMNVFNL-HNNXBMFYSA-N 301.390 3.049 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2c(C)cccc2C)CC1 192678495 OFPUAZMRDGFAGL-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)[C@H](C)Oc2ccccc2)c1 224028729 NHGVTHXNLYGHKC-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCO[C@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@@H](C)C1 225900186 IAPHFPBQWHYXCA-SJKOYZFVSA-N 306.406 3.323 0 40 DGAB CCOCc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 40071860 HEZWDQIPXLSGKA-UHFFFAOYSA-N 301.361 3.221 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 222905345 FMZRDOUGLOAODY-LSDHHAIUSA-N 300.431 3.038 0 40 DGAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(F)cc1 224908429 ZRPHDGPCSDALKK-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)C1CCCC1 194487703 CNXGBFBDDWMQKH-HRAATJIYSA-N 307.459 3.287 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(c2cccc(F)c2)CC1 98213879 HAZRUHWDZMKKQF-UHFFFAOYSA-N 308.397 3.053 0 40 DGAB COc1ccccc1[C@@H](N[C@H](C)c1cccnc1)c1nccn1C 92738119 FBOYDILGFIXYQW-RDTXWAMCSA-N 322.412 3.264 0 40 DGAB CC[C@H](NC(=O)[C@@H](C)OC)c1ccccc1Br 96475092 MNMLCQDVJDVDOX-SKDRFNHKSA-N 300.196 3.051 0 40 DGAB Cc1c(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)oc2ccccc12 96024822 NXYQZLCIYGMYQT-ZDUSSCGKSA-N 309.369 3.484 0 40 DGAB Cc1cc(CNC(=O)C[C@@H](CC(=O)O)c2cccs2)c(C)o1 90607358 WUSZOOMPIHNMQD-LBPRGKRZSA-N 321.398 3.223 0 40 DGAB Cc1cccn2c(CN[C@@H](C)C[C@@H](O)c3ccccc3)cnc12 95448815 NXWDYXDPSSRCGI-MAUKXSAKSA-N 309.413 3.245 0 40 DGAB CS(=O)(=O)c1ccc([S@](=O)CCCC2CCCC2)cc1 96476340 ISJZDTQKFXLTBZ-IBGZPJMESA-N 314.472 3.168 0 40 DGAB CC(C)c1cc(C(=O)N2CCCCC2)nc(N2CCCCC2)n1 96101225 MUZRCHYLXKBYJH-UHFFFAOYSA-N 316.449 3.216 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1 96494077 CTBLLXABCHJVNQ-GFCCVEGCSA-N 321.833 3.114 0 40 DGAB CC[C@@H]1N(Cc2ccc(F)cc2)CCC[C@]12CCC(=O)N2C 96052418 UMXWTTNOGRNVSP-WMZOPIPTSA-N 304.409 3.191 0 40 DGAB COc1ccc([C@H](NC(=O)c2ccncc2)C(F)(F)F)cc1 97236067 DGRXWYZWUPGCEL-ZDUSSCGKSA-N 310.275 3.124 0 40 DGAB Clc1ccc(-c2nc(N3CCNCC3)nc3ccccc23)cc1 95618963 XCGKTWCQAOWYIP-UHFFFAOYSA-N 324.815 3.360 0 40 DGAB CC(C)Cc1cc(C(=O)N2CCCC[C@@H]2c2cccnc2)[nH]n1 248190551 KOJAUTCPHMWLIF-QGZVFWFLSA-N 312.417 3.371 0 40 DGAB Cc1cc2cc(C(=O)N3CCCC[C@H]4CNCC[C@H]43)ccc2o1 257270623 MUYQGOAOJWXVIM-DOTOQJQBSA-N 312.413 3.345 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257222931 DVESBFXPCJLDFQ-GOSISDBHSA-N 321.424 3.212 0 40 DGAB CC(=O)Nc1cccc(COC(=O)[C@H](C)OC2CCCC2)c1 71905426 WRPUGJOSLGAQHW-LBPRGKRZSA-N 305.374 3.036 0 40 DGAB CCOC(=O)N1CCC(N[C@@H]2CCC[C@@H](SCC)C2)CC1 89158146 NZVOBAIRMZZHBS-HUUCEWRRSA-N 314.495 3.261 0 40 DGAB CC(C)c1cccc(-n2cc(C(=O)c3ccccc3N)nn2)c1 96270233 LGZMQEYZKUYTMM-UHFFFAOYSA-N 306.369 3.204 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Br)c(Cl)c1 1083806279 CVNGMMJQYDYSGZ-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB Cc1c(C(=O)Nc2ccc3c(c2)OCO3)oc2c1C(=O)CCC2 5303300 NDLPARNPWVSPGM-UHFFFAOYSA-N 313.309 3.088 0 40 DGAB Nc1cc(-c2cccs2)nn(Cc2ccccc2Cl)c1=O 12146709 AUXXGUPOAZWSNK-UHFFFAOYSA-N 317.801 3.256 0 40 DGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccsc1)CC3 12532341 QVPWZIGSRDVWEA-YRNVUSSQSA-N 324.361 3.101 0 40 DGAB ON1C(c2ccccc2C(F)(F)F)N(O)[C@@H]2CCCC[C@@H]21 13151583 AVUONKCFKWYIRP-FUNVUKJBSA-N 302.296 3.411 0 40 DGAB Cc1nnc2c3ccccc3c(N3CCc4ccccc4C3)nn12 13532900 NMJYSGXBNVGFPT-UHFFFAOYSA-N 315.380 3.149 0 40 DGAB in-vitro Cc1cc(C)c(C2=[N+]([O-])ON3CCc4ccccc4[C@H]23)c(C)c1 16922524 CEMWUBTWTCUPGQ-GOSISDBHSA-N 308.381 3.371 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)CCc1ccc(F)cc1 19580423 VXTMFFLLMUCVSQ-NSHDSACASA-N 304.365 3.111 0 40 DGAB O=C(CSC1CCCC1)Nc1cnn(C[C@H]2CCCCO2)c1 390828010 NJULSHMUADPNMB-CQSZACIVSA-N 323.462 3.067 0 40 DGAB Cc1c(C(=O)OCC(=O)N2CCC[C@H](C)C2)oc2ccccc12 4463022 XRZLFOXNHLRFNQ-LBPRGKRZSA-N 315.369 3.157 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2O)cc1 25006664 UEKYWAOPXMIVDH-UHFFFAOYSA-N 310.275 3.044 0 40 DGAB CCOC(=O)c1ccc2nc(C(=O)OCC)cc(Cl)c2c1 498050488 FCGZXDXRZCZTMS-UHFFFAOYSA-N 307.733 3.242 0 40 DGAB COc1ccccc1OCCN(C)C(=S)Nc1ccccc1 6871591 BRZYOSOBWYDSJS-UHFFFAOYSA-N 316.426 3.403 0 40 DGAB c1ccc2nc(N3CCC(Oc4nccs4)CC3)cnc2c1 2086889646 HBXDKYDHOFTVNV-UHFFFAOYSA-N 312.398 3.134 0 40 DGAB O=C(NC1CCN(Cc2ccccc2Cl)CC1)C1CCC1 368923132 UIXMLEWSLUCCLW-UHFFFAOYSA-N 306.837 3.221 0 40 DGAB CCSc1nc(=O)c2c3c(sc2[nH]1)CO[C@@](C)(CC)C3 8672074 IIKKMZYVPBZJGE-AWEZNQCLSA-N 310.444 3.338 0 40 DGAB aggregator O[C@@H](CSc1nnnn1C1CCCCC1)c1ccccc1 10422385 QKVIDSJSNNPXMZ-AWEZNQCLSA-N 304.419 3.004 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CC1)Nn1cnc2ccccc21 10404567 SOQHNBYJWCALAP-KRWDZBQOSA-N 306.369 3.441 0 40 DGAB CN(C)CCOc1ccccc1-c1nc(-c2ccccc2)no1 7363 QZULPCPLWGCGSL-UHFFFAOYSA-N 309.369 3.344 0 40 DGAB in-man Cc1cccc(NC(=O)c2ccccc2OC[C@H]2CCCO2)n1 40489044 HFHAMQRHNPWBJF-CQSZACIVSA-N 312.369 3.200 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)/C=C/c1ccc(Cl)cc1 31541614 IPMHKXGMKLVAGR-JOZWUWCOSA-N 315.804 3.281 0 40 DGAB O=C(NCc1cccnc1OCC(F)(F)F)c1cccs1 40509969 PEWIOKFQOZKEHK-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB COc1cc(NC(=O)NCCc2cccs2)cc(OC)c1 40525945 CLZGMRHXTJVRRS-UHFFFAOYSA-N 306.387 3.130 0 40 DGAB Cn1ccnc1SCc1cccc(C(=O)NC2CCCC2)c1 31866694 RZNVYJOYBHWYSN-UHFFFAOYSA-N 315.442 3.385 0 40 DGAB CN(C(=O)c1ccco1)c1nnc(-c2ccc(F)cc2)s1 1356308 BAIYJFPAAUWQJJ-UHFFFAOYSA-N 303.318 3.214 0 40 DGAB CO[C@@H](C)c1cccc(NCc2csc(NC(C)=O)n2)c1 78987631 BKSIPVCHMHGYMC-JTQLQIEISA-N 305.403 3.421 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2cc(F)ccc2C)c1 3338604 PWYLTIKDFZPAAN-UHFFFAOYSA-N 301.317 3.354 0 40 DGAB COC(=O)c1ccc(OCC(=O)Nc2ccc(C)cc2C)cc1 4201675 MTDYIYITLBMWDD-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCC[C@H]1NC(=O)N(c2ccccc2)C(C)=C1C(=O)OCC 6138932 OSXCMRQTOFACGV-CQSZACIVSA-N 302.374 3.222 0 40 DGAB O=C(N[C@H]1COc2ccccc2C1)c1ccccc1C(F)(F)F 53043064 SEEHDIFHOBXOSK-GFCCVEGCSA-N 321.298 3.439 0 40 DGAB C[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)C[C@H](C)O1 521520 AWFJJJAECLZVBJ-KBPBESRZSA-N 320.396 3.305 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c1 533983 QOMAFWDGZKDQFS-IBGZPJMESA-N 309.365 3.414 0 40 DGAB CC(=O)Nc1cccc(NC(=O)/C=C/c2csc(C)n2)c1 12227691 NXJVLIYARNSUQT-VOTSOKGWSA-N 301.371 3.062 0 40 DGAB CCCN(CCC)S(=O)(=O)c1cccc(Br)c1 37383319 YFLFXUIIWRUTMS-UHFFFAOYSA-N 320.252 3.260 0 40 DGAB COc1ccc(OCCN(C)c2ncnc3sccc23)cc1 8202778 ZWJZPWNAVQUBOA-UHFFFAOYSA-N 315.398 3.215 0 40 DGAB CCS[C@H](C)c1nc(N)nc(Nc2ccccc2OC)n1 1069348 PPAOWJOCMVKVSC-SECBINFHSA-N 305.407 3.020 0 40 DGAB Cc1nc(NC(=O)/C=C/c2cnc3ccccc3n2)sc1C 24042464 LIOYORNZVDRHPJ-BQYQJAHWSA-N 310.382 3.355 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)c2ccn(C)c(=O)c2)CC1 29024208 HEIUAJDJJUSWLD-UHFFFAOYSA-N 304.434 3.110 0 40 DGAB O=C(CCSc1ccccc1)NCCCN1CCCCC1 10277030 HJFNYZSNYDPEKR-UHFFFAOYSA-N 306.475 3.161 0 40 DGAB Cc1ccc(CN(C)C(=O)/C=C/c2ccc3c(c2)OCO3)cc1 20452493 AMRIWLRUOIZGIG-CSKARUKUSA-N 309.365 3.396 0 40 DGAB CC(=O)Nc1ccc(C)c(NCc2nc(CC(C)C)no2)c1 55841287 ABKRGWAAGSMQRS-UHFFFAOYSA-N 302.378 3.147 0 40 DGAB Cn1cccc1[C@@H]1CCCN1Cc1nnc(-c2ccccc2)o1 58068032 KIMBJYAUXRRJOH-INIZCTEOSA-N 308.385 3.412 0 40 DGAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1CCCCC1 58179036 FSTNSPWOBADSCN-UHFFFAOYSA-N 318.436 3.487 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)N[C@@H](C)c1cccnc1 44896795 KDOLPEAKERMNDI-ZDUSSCGKSA-N 321.380 3.465 0 40 DGAB C[C@H](OCC1CC1)C(=O)N[C@@H]1CCOc2c(Cl)cccc21 58265538 MYPAYUWAKUFVDV-IINYFYTJSA-N 309.793 3.095 0 40 DGAB CCCCCCn1nc(Br)nc1Br 67799168 XSWWXFBMANYPDK-UHFFFAOYSA-N 311.021 3.383 0 40 DGAB COC(=O)c1cc2cc(CSc3nncs3)ccc2o1 172694189 VQMQYPQIPRTFHS-UHFFFAOYSA-N 306.368 3.363 0 40 DGAB Cc1nc2ccccc2n1CCNc1ncnc2ccsc12 28620061 HNTAQIBVPKYXGB-UHFFFAOYSA-N 309.398 3.462 0 40 DGAB O=C(Cn1cccc(C(F)(F)F)c1=O)c1cc(F)ccc1F 48364250 ZNXZIOWHDLQIOV-UHFFFAOYSA-N 317.213 3.028 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1 12860628 HYSIHJCHNYHXIR-GJZGRUSLSA-N 300.402 3.223 0 40 DGAB CCc1cccc(CC)c1NC(=O)CSc1nncs1 3413386 XTFRECBEDFSPLX-UHFFFAOYSA-N 307.444 3.394 0 40 DGAB O=C([C@@H]1CCOC1)N1CCC[C@H]1c1ccccc1C(F)(F)F 69530114 QIMDHLTXEJYVLV-RISCZKNCSA-N 313.319 3.405 0 40 DGAB C[C@@H](NC(=O)NC1CCCC1)c1ccc(NC(=O)C2CC2)cc1 12971619 XIOGHYSVKQFTNF-GFCCVEGCSA-N 315.417 3.338 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(F)c(F)c2)cc1 12971480 FUFAYZSUWBLNNV-UHFFFAOYSA-N 311.353 3.094 0 40 DGAB CCOC(=O)c1cnc2c(-c3ccccc3)c(C(C)C)nn2c1N 20636003 WVVMCEXQOQDDFU-UHFFFAOYSA-N 324.384 3.279 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccoc1)c1ccc(SC)cc1 69514676 GAGFUOWCXJILKB-AWEZNQCLSA-N 319.382 3.036 0 40 DGAB C[C@]12CCC[C@@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@@H]32 4114565 JPYUXOAHWUWNMR-FMSQNYNMSA-N 324.207 3.216 0 40 DGAB OCCCCN1CCO[C@@H](c2cc(F)c(Cl)cc2Cl)C1 69897390 HHYWVUOJZNOFMP-CQSZACIVSA-N 322.207 3.278 0 40 DGAB CN(C)C(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4295605 NXHAXIRXWHSYTI-UHFFFAOYSA-N 301.390 3.055 0 40 DGAB COc1cc(C(=O)N(C)C2CCC(C)CC2)cc(OC)c1OC 18231729 BEYCTRWHJVLETP-UHFFFAOYSA-N 321.417 3.363 0 40 DGAB O=C(Cc1cccc(Cl)c1)NCCOc1ccc(F)cc1 67801949 QNVBBEGDIVIVOO-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB C[C@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC1CCCC1 5209853 BCROMKYRMDEYLH-NSHDSACASA-N 316.430 3.011 0 40 DGAB O=S(=O)(c1ccc2cccc3c2c1CC3)N1CCCCC1 5234726 FROFQMUPRJBYGL-UHFFFAOYSA-N 301.411 3.113 0 40 DGAB Cc1cc(C)n([C@@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 65422139 FCOYAFLDMBRDJL-GOSISDBHSA-N 306.413 3.495 0 40 DGAB CN(Cc1ccccc1OC(F)(F)F)C(=O)c1cscn1 65575481 FOVSVULNZRYVDH-UHFFFAOYSA-N 316.304 3.314 0 40 DGAB Cc1cnc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)s1 14141149 MBZBZMSZUJQDLZ-UHFFFAOYSA-N 315.402 3.338 0 40 DGAB FC(F)(F)c1nnc2ccc(SCc3ccccc3)nn12 65621682 CBKBZURDBJLCIA-UHFFFAOYSA-N 310.304 3.435 0 40 DGAB CC1CCC(c2nnnn2-c2ccc(Cl)cc2)(N(C)C)CC1 4598760 PJZAJNUBOZLQSC-UHFFFAOYSA-N 319.840 3.283 0 40 DGAB CN1CCN(c2ncnc3sccc23)[C@H](c2ccccc2)C1 6550912 MQXOYPBPKFOLHK-HNNXBMFYSA-N 310.426 3.184 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](N[C@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 4648888 FICKTBOMIPGRMD-NXNVCVFFSA-N 314.429 3.041 0 40 DGAB CC(=O)N1CCCCC[C@H]1c1noc(-c2ccc(F)cc2)n1 96001374 UTQLFPGLUFIGLO-AWEZNQCLSA-N 303.337 3.339 0 40 DGAB Cn1cnnc1SCc1ncc(-c2cccc(Cl)c2)o1 7736899 HWVHWHKNGCGDEP-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB Cc1nc(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)cs1 69355047 PQAIWLOGABIQPF-NSHDSACASA-N 300.305 3.485 0 40 DGAB Cc1nc(SCC(=O)c2ccc3c(c2)OCCO3)oc1C 8333093 XTLLIPNHUKEUAC-UHFFFAOYSA-N 305.355 3.038 0 40 DGAB CCc1nc(CCNC(=O)c2ccc(F)cc2F)sc1C 69437494 WFKJRFCPIMKMLW-UHFFFAOYSA-N 310.369 3.265 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)COCCOC)c(C)c1 69415095 OWLVIPVLRMLILH-CYBMUJFWSA-N 311.447 3.487 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)N1CCC[C@H]1c1ccc[nH]1 69416836 ONWXMNDOWKPWJM-HNNXBMFYSA-N 324.833 3.335 0 40 DGAB CC(C)c1nc(C(=O)N2CCCC[C@H]2c2nccs2)c[nH]1 72300356 DGQCIRLVVHLUHQ-LBPRGKRZSA-N 304.419 3.357 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)n1 71870905 JTDFNCTVJUSJDY-QGZVFWFLSA-N 315.461 3.490 0 40 DGAB CN(OCc1ccccc1)C(=O)c1cc(Cl)nc(N(C)C)c1 83854177 GBYZNSAIXZDBDC-UHFFFAOYSA-N 319.792 3.005 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)[nH]n1 25041951 LKIALLLVBMPTFT-UHFFFAOYSA-N 313.307 3.285 0 40 DGAB C[C@H](CC(=O)NCCCOCC1CCOCC1)c1ccccc1 71920668 DLBBMTYVSRXNCX-MRXNPFEDSA-N 319.445 3.130 0 40 DGAB CCc1ccccc1NC(=O)Nc1ccc2c(c1)n(C)c(=O)n2C 71904951 AFUWEXFHVZDXFP-UHFFFAOYSA-N 324.384 3.083 0 40 DGAB COc1cccc(SCC(=O)N2CCn3cccc3[C@H]2C)c1 71903776 PPYTWZQZTUGVDO-CYBMUJFWSA-N 316.426 3.192 0 40 DGAB Cc1nc(Cn2cnc3c(C)cccc3c2=O)nc2ccccc12 71905187 DDSAYANVJOULSK-UHFFFAOYSA-N 316.364 3.005 0 40 DGAB COc1ccc(Cc2noc(-c3scnc3C)n2)cc1OC 84066563 OUDOLNAPRXINAN-UHFFFAOYSA-N 317.370 3.110 0 40 DGAB Cc1ccccc1NC(=O)C[C@@H](C)Nc1ccc2n[nH]nc2c1 97038129 RHHVUJJQNUBJJN-GFCCVEGCSA-N 309.373 3.096 0 40 DGAB FC(F)(F)c1cc([C@H]2CCCN(CCc3ccccn3)C2)n[nH]1 84609927 LMOZHFHUVCCMBX-LBPRGKRZSA-N 324.350 3.246 0 40 DGAB Cc1ccccc1[C@@H](CC(C)C)NC(=O)C1(O)CCSCC1 95979351 PYVTVFAUHQYOMW-MRXNPFEDSA-N 321.486 3.457 0 40 DGAB Cc1ccc(NCc2c[nH]nc2C(C)(C)C)cc1S(C)(=O)=O 95999384 DQQIIIDNVZJLKO-UHFFFAOYSA-N 321.446 3.031 0 40 DGAB COc1cccc(S(=O)(=O)Nc2ccc(C)c(Cl)c2)c1 74934521 UWOZLDDLWZDAFD-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)NC(C)(C)C(C)(C)C(=O)O 89558839 HUOKGINSMQUTRF-UHFFFAOYSA-N 312.435 3.194 0 40 DGAB C[C@H]1CCC[C@H](c2ccccc2)N1CCCN1CCOC1=O 75109387 HQAFTCYKIJCWSG-DOTOQJQBSA-N 302.418 3.444 0 40 DGAB O=C(CCn1ccc2cc(Cl)ccc21)NCC(F)(F)F 89807745 KBTCRMVPPFRORA-UHFFFAOYSA-N 304.699 3.363 0 40 DGAB CC[C@@H](NC(=O)c1ccccc1-c1nc[nH]n1)c1cc(C)ccn1 67515461 JLBVBNUHCBKFCC-OAHLLOKOSA-N 321.384 3.056 0 40 DGAB Cc1nn(C)c2c(N(C)Cc3cccs3)nc(C3CC3)nc12 72238298 BNXQFDXXXIERJA-UHFFFAOYSA-N 313.430 3.247 0 40 DGAB COC(=O)c1cc(F)cc2c1C(=O)C[C@H](c1ccc(F)cc1)N2 214162695 IUTWLYCIQGCXQP-CYBMUJFWSA-N 317.291 3.491 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccc(NC(=O)OC(C)(C)C)nc1 72214312 JTEFIAHFQKCFBE-ZDUSSCGKSA-N 305.378 3.112 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1ccccc1Cn1cccn1 36390676 PFLVDAAWBWQUMH-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB C[C@H]1CN(C(=O)/C=C\c2ccccc2)c2ccccc2NC1=O 31903325 KCQDVPWRPNKLJB-NYHXXUGCSA-N 306.365 3.321 0 40 DGAB COc1ccc(C(=O)c2c[nH]c3ccc(C)cc3c2=O)cc1OC 67340971 PTYMTJLEOQDGED-UHFFFAOYSA-N 323.348 3.085 0 40 DGAB C[C@H](NC1CC(c2ccccc2F)C1)C(=O)N1CCCCC1 127429223 UZWDLOYSJDQKBZ-NFOMZHRRSA-N 304.409 3.062 0 40 DGAB O=C(Nc1ccccc1Cn1cccn1)c1ccc(F)cc1F 36759840 OUNIBNJRTPJJQU-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 42646361 RLSTUCDNLVDYKR-DZGCQCFKSA-N 302.418 3.443 0 40 DGAB Cc1ccoc1C(=O)NCc1c(C)nn(Cc2ccccc2)c1C 10905060 NFTGQTJQNOKFOA-UHFFFAOYSA-N 323.396 3.380 0 40 DGAB CCOC(=O)c1cnc2c(F)ccc(F)c2c1Br 47913124 XMANZUWLXNDZMQ-UHFFFAOYSA-N 316.101 3.452 0 40 DGAB Cc1nc(-c2cccc(COc3ccc(C(=O)O)cc3)c2)no1 225327862 YFTSDBOHDQMWBT-UHFFFAOYSA-N 310.309 3.322 0 40 DGAB CCOC[C@@H]1CC2(CCN(C(=O)c3ccc(C)s3)CC2)CO1 96105918 WZRMNDZGMJIRPV-AWEZNQCLSA-N 323.458 3.104 0 40 DGAB Cc1ccc(-c2nc(N3CCCC3)sc2CC(=O)O)cc1 95097092 QFAYKXXSCNCODP-UHFFFAOYSA-N 302.399 3.346 0 40 DGAB CC1CCN(c2cccc(NC(=O)NC[C@H](C)CCO)c2)CC1 96435106 XVGMBIMIMKSKDV-OAHLLOKOSA-N 319.449 3.063 0 40 DGAB COc1ccc(NS(=O)(=O)/C=C/c2ccccc2)c(C)c1 96136905 MKAMZOGXOPKUJV-ZHACJKMWSA-N 303.383 3.416 0 40 DGAB Oc1ccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)cc1 95082612 JTYCLNUCLSYXKW-UHFFFAOYSA-N 324.302 3.310 0 40 DGAB Cc1cscc1CNC(=O)N1CC(C)(C)[C@@H]1c1nccn1C 584762663 DRMDSOJJDJFMOJ-ZDUSSCGKSA-N 318.446 3.083 0 40 DGAB CC(=O)c1c(F)cccc1N(C)Cc1ccc([S@](C)=O)cc1 96453907 PPIPTMRZYAAFMU-JOCHJYFZSA-N 319.401 3.402 0 40 DGAB N[C@@H]1CCC[C@@H](Oc2ccccc2Oc2cccc(F)c2)[C@@H]1O 257311652 UKLZRYVZFNGKNB-ZTFGCOKTSA-N 317.360 3.238 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccc(-c3nc(C)cs3)nc2)C1 257223166 DWFJXFLSRJWIGS-HNNXBMFYSA-N 315.442 3.315 0 40 DGAB Fc1ccccc1OCCCN1CCC[C@@H]1c1cnccn1 257307628 SZNSPGFSZTXPCA-MRXNPFEDSA-N 301.365 3.222 0 40 DGAB CC1CCN(C(=O)c2c(-c3cccs3)noc2[C@H](C)O)CC1 253401172 MOIDABSCFOMWLM-NSHDSACASA-N 320.414 3.329 0 40 DGAB biogenic,in-vitro COc1ccc([C@H]2CCCCCN2C(=O)c2c[nH]c(C)n2)cc1 270112046 PNDMMYTYEJHJJD-QGZVFWFLSA-N 313.401 3.484 0 40 DGAB CCOc1ccc(CN2CCCC[C@H]2c2cc[nH]n2)cc1CO 585182040 WMGSESGRPCMYAJ-KRWDZBQOSA-N 315.417 3.028 0 40 DGAB CC(=O)N[C@H](C(=O)N[C@H](C)c1cccc2ccccc12)C(C)C 13006320 NSHWLGNHWDOUCF-ACJLOTCBSA-N 312.413 3.178 0 40 DGAB CC(C)C(=O)Nc1ccc(SCC(=O)c2ccccc2)nn1 13702127 DQMNFJIASQTGIC-UHFFFAOYSA-N 315.398 3.046 0 40 DGAB CC(C)=CCOc1cc(C)nc2cc(C3CCOCC3)nn12 19117220 HIFFGMPJTQHPEP-UHFFFAOYSA-N 301.390 3.277 0 40 DGAB Cc1cnn(CC(=O)N[C@H](C)c2cc3cc(Cl)ccc3o2)c1 19239925 CMVLHETUFYDABC-LLVKDONJSA-N 317.776 3.469 0 40 DGAB O=C(COC(=O)c1c(F)cccc1F)NCCC1=CCCCC1 3396713 BSIUVZDYFOKYAT-UHFFFAOYSA-N 323.339 3.128 0 40 DGAB O=C(CCc1ccco1)NCc1ccc(Br)s1 25474761 RSCAWNMJZXFUBW-UHFFFAOYSA-N 314.204 3.353 0 40 DGAB Cc1cc(C(=O)Cn2ccccc2=O)c(C)n1Cc1ccccc1 26396056 NTYUWAVQKWJFJQ-UHFFFAOYSA-N 320.392 3.198 0 40 DGAB CCC[C@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 20096431 HKJTVNCSQQXADZ-ZDUSSCGKSA-N 317.341 3.137 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)c1cccs1 23105468 ZYIGPGVKRCABEE-ZDUSSCGKSA-N 308.834 3.434 0 40 DGAB CC[C@@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 30854752 VFEYAVBWGZVFDC-GFCCVEGCSA-N 322.455 3.052 0 40 DGAB O=C(Cc1cccc2cccnc12)Nc1ccc2c(c1)OCCO2 40481106 DKYOLMBDJHUYML-UHFFFAOYSA-N 320.348 3.187 0 40 DGAB CC(C)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1 308706 AUJFGMLGXKHLTQ-UHFFFAOYSA-N 300.383 3.397 0 40 DGAB CCN(CCNC(=O)c1cc(C)oc1C)c1cccc(C)c1 32732074 SJQNCFHTSXIQBS-UHFFFAOYSA-N 300.402 3.461 0 40 DGAB COc1ccccc1-c1cc(C(=O)Nc2ncc(C)s2)no1 32830338 UEMRAURQFGCMJE-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@H]2CC(=O)N(CC(C)C)C2)c(C)s1 46239503 YRXBGBSTYIAHCZ-JSGCOSHPSA-N 322.474 3.047 0 40 DGAB O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1cccnc1 149776 GRHXXKCHHCUXPV-UHFFFAOYSA-N 301.685 3.061 0 40 DGAB biogenic,in-vitro CCC1=NN(C(=O)c2ccc(OC)cc2)[C@@](O)(c2ccccc2)C1 233883 HXVMCYRUGXFIQX-IBGZPJMESA-N 324.380 3.152 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)sc1C 69625117 GRFUSVBSSBXYDI-CQSZACIVSA-N 303.431 3.330 0 40 DGAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)N1CCOCC1 380084 YATLVPOFMOIHMD-UHFFFAOYSA-N 323.805 3.328 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nnc(-c2ccco2)o1 418106 BKVPUBPUTPNGRK-QWRGUYRKSA-N 321.402 3.211 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)CCc1ccccc1)OCO2 414564 NTSCFCYHALGDOJ-UHFFFAOYSA-N 311.337 3.189 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 928571 BZOMWGMQZXLXIB-UHFFFAOYSA-N 323.352 3.072 0 40 DGAB CN(CCc1cccs1)C(=O)NCc1csc(C2CC2)n1 76086860 GCYQIINZCXIOCO-UHFFFAOYSA-N 321.471 3.466 0 40 DGAB Cc1csc(CNC(=O)NC[C@H](C)Cc2cccs2)n1 76085191 GOOMBTZNNSTCJV-SNVBAGLBSA-N 309.460 3.191 0 40 DGAB Cc1ccc([C@@H](O)CNC2CCN(Cc3ccccc3)CC2)cc1 78648330 BOCKDSDSLQYMCL-NRFANRHFSA-N 324.468 3.283 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCc2ccc(F)cc2)c1 3613419 NUUCYDJWPBPHAD-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@@H]2C(=O)N1c1ccccc1 4719429 KDADEENOYSUPPW-MVJTYMMSSA-N 305.377 3.479 0 40 DGAB CC[C@H](C)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@@H](C)CC 6224687 OAVUXSIQEJHCSI-OFQRWUPVSA-N 320.433 3.242 0 40 DGAB Cc1cccc(C)c1OC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 7928713 GGQHYCQRSONYHI-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccc(F)cc1 55508087 OBPMZBNUADZPJD-UHFFFAOYSA-N 301.427 3.460 0 40 DGAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=S)NCC1CCCCC1 8300506 BMDFLLCIFUMRGJ-YESZJQIVSA-N 323.550 3.151 0 40 DGAB biogenic,in-vitro COc1ccc(OCCNc2ncnc3sccc23)cc1 8327765 AOWIBCKLIKAKAF-UHFFFAOYSA-N 301.371 3.191 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1cc(Cl)ccc1C(=O)O 8429432 FVGRLGHCJMSXBF-UHFFFAOYSA-N 322.748 3.214 0 40 DGAB CCOc1cc(F)ccc1NC(=O)N(C)Cc1cc(C)on1 47583361 HRUARDDMTAZOLC-UHFFFAOYSA-N 307.325 3.185 0 40 DGAB O=C(Nc1cccc(COC[C@@H]2CCCCO2)c1)c1ccon1 84374470 GSJLGIDWZWDMTG-HNNXBMFYSA-N 316.357 3.013 0 40 DGAB C[C@H]1CN(C(C)(C)CNc2nc3ccccc3o2)C[C@H](C)O1 26083220 XZDURZQMXQKFNW-STQMWFEESA-N 303.406 3.128 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2c2ccc3c(c2)OCCO3)n1 26393892 DODSXEPADMWPEM-INIZCTEOSA-N 324.380 3.139 0 40 DGAB CC(C)OC(=O)c1nnc2sc(-c3cccc(Cl)c3)nn12 57332666 DSXLSXVJZSMYNS-UHFFFAOYSA-N 322.777 3.071 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1 1993674 GUZKFXAQVCXNDD-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cc1ccccc1NC(=O)[C@H](C)n1cc(Br)cn1 28224120 JJVZMTDYDYGGBJ-JTQLQIEISA-N 308.179 3.154 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccc(C)cc3)n3nnnc3N2)cc1 100989773 PLIUHPWQLTYXTG-QGZVFWFLSA-N 303.369 3.346 0 40 DGAB CCCS(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 58290458 PNMKKGFUZSHRCB-UHFFFAOYSA-N 324.427 3.152 0 40 DGAB O=C(CO)Nc1cccc(NC2CCC(C(F)(F)F)CC2)c1 97379780 STIKMOVMMLVQHQ-UHFFFAOYSA-N 316.323 3.150 0 40 DGAB COc1c(CN[C@H](c2ccccc2)c2ccccn2)c(C)nn1C 58331251 VVBHJTQBIVEDDD-GOSISDBHSA-N 322.412 3.011 0 40 DGAB CCCCc1noc(COc2ccc(C(=O)OCC)cc2)n1 58304972 OYDPVGVYAXFBCJ-UHFFFAOYSA-N 304.346 3.168 0 40 DGAB COc1cc(-c2ccccc2)sc1C(=O)Nc1ccn(C)n1 48270903 ZQOONHABBIUMDM-UHFFFAOYSA-N 313.382 3.410 0 40 DGAB Cc1ccc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 48213787 URJMUDZALZTPQX-CYBMUJFWSA-N 303.431 3.465 0 40 DGAB COCCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 58669526 MTLVFYTXLNKZHO-SFHVURJKSA-N 324.380 3.184 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@@H](O)C2 118930873 OWGDNJFJSVLTKK-HRZZQHDVSA-N 304.430 3.138 0 40 DGAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1ccc(Cl)nc1 3566357 UOQINFCOEPZSLJ-UHFFFAOYSA-N 308.790 3.025 0 40 DGAB CON(C)C(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 12923774 OEINNMHYCAJJNJ-UHFFFAOYSA-N 323.348 3.402 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3[nH]2)C1 18068145 FOEGDHYTZDPXRK-TXEJJXNPSA-N 303.431 3.160 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCO[C@@H](c2ccccc2Cl)C1 69846321 SYZHJYVEJGPGNZ-CZUORRHYSA-N 323.820 3.199 0 40 DGAB CC(C)CC(=O)NC1CCN(c2nc3ccccc3s2)CC1 64457829 HKTSZJRKSYPSLV-UHFFFAOYSA-N 317.458 3.427 0 40 DGAB Cc1nc(C)c(C(=O)OCc2nnc(-c3ccccc3)o2)s1 6366737 HHLKXUCBOZMLJM-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB CN(C)CCN(C(=O)c1cn(C)c2ccccc12)c1ccccc1 65517766 KUXATTRTRIXMMK-UHFFFAOYSA-N 321.424 3.387 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2nc3ncccc3[nH]2)c1 5458766 YMXVBRXASLZAPE-UHFFFAOYSA-N 312.398 3.306 0 40 DGAB COc1ccccc1C(=O)Nc1cccc(N2CCCC2=O)c1 5440515 ALPHLBQBJCUEIC-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc2C1 5696348 GEQXSECHWINMQT-VWYCJHECSA-N 322.430 3.097 0 40 DGAB O=C(NCc1csc(CCc2ccccc2)n1)c1ccc[nH]1 83006725 YYKGDRAVWBLTAX-UHFFFAOYSA-N 311.410 3.186 0 40 DGAB CC[C@@H](OC(=O)c1cccc(C)c1C)C(=O)Nc1cc(C)on1 9453701 ZLBIFQJXAJPZON-CQSZACIVSA-N 316.357 3.174 0 40 DGAB Cc1ccccc1C1(CNc2ncnc3nc(N)ccc23)CC1 90088979 XYISPFJUITVTLJ-UHFFFAOYSA-N 305.385 3.059 0 40 DGAB OC[C@H](NCc1cc(F)ccc1Br)c1ccco1 90188016 FXIVRKHHVFTILK-LBPRGKRZSA-N 314.154 3.004 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cnn(-c3ccccc3)c2)cc1 15604669 NZQVXQGYANRZDT-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB COCCCNS(=O)(=O)c1ccc(C2CCCCC2)cc1 7373964 ZPUXPFJGVKNIIT-UHFFFAOYSA-N 311.447 3.049 0 40 DGAB O=C(N[C@@H]1CCC[C@H](C2CC2)C1)c1ccccc1Cn1cncn1 80489777 ZIPRIHINPRXDNW-DOTOQJQBSA-N 324.428 3.025 0 40 DGAB Cc1cc(C)c2nc(NC(=O)c3snnc3C)sc2c1 9250919 CMXMUEZRSLUERV-UHFFFAOYSA-N 304.400 3.325 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)c1 68350089 BAXASOBHANXBNQ-AWEZNQCLSA-N 304.415 3.080 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2cccs2)c1 7801447 MBZBTLGHVGSZCH-BQYQJAHWSA-N 301.367 3.495 0 40 DGAB CCc1nc(-c2ccc(C(=O)N3CC4(CCCCC4)C3)cc2)n[nH]1 96004266 YDZWBUVTHIRDOC-UHFFFAOYSA-N 324.428 3.440 0 40 DGAB Cc1cnc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cn1 16709640 AQMYIMWVQNBVFE-GFCCVEGCSA-N 319.817 3.405 0 40 DGAB O=C(NCc1ccco1)c1cc(C2CC2)nn1-c1ccccc1 8312858 BNFJJAQTHIAGEJ-UHFFFAOYSA-N 307.353 3.273 0 40 DGAB CCCCCC(=O)N1CCC[C@@H](c2n[nH]c(=S)n2CC)C1 69414798 FWDFJELFOWQNGK-GFCCVEGCSA-N 310.467 3.247 0 40 DGAB CC(C)N1CCC(NC(=O)C(C)(C)c2ccccc2F)CC1 69517189 LFHDTKLPDJQKJE-UHFFFAOYSA-N 306.425 3.092 0 40 DGAB CN(C)CCNc1cc(-c2ncccc2Cl)c2cc[nH]c2n1 72167723 NIYUZCHLMGIRRQ-UHFFFAOYSA-N 315.808 3.252 0 40 DGAB COCc1cc(NCc2c(C)noc2C)nc(C(C)(C)C)n1 84023617 MHKDWFURFWKZHK-UHFFFAOYSA-N 304.394 3.137 0 40 DGAB Cc1cc(Cl)cc(NC(=O)c2ccc([S@](C)=O)cc2)c1O 97010292 UCDKNXQBIKLZPU-OAQYLSRUSA-N 323.801 3.344 0 40 DGAB Cn1nccc1CNc1cc(CC2CC2)nn1-c1ccccc1 97051367 ISCMUBOBXLGLEA-UHFFFAOYSA-N 307.401 3.170 0 40 DGAB Cc1nn(C)c2ncc(CNc3cccc(-n4cccn4)c3)cc12 89568218 RKEIMNRSGPFGCG-UHFFFAOYSA-N 318.384 3.075 0 40 DGAB O=C(NCc1cccnc1)N1CCSC2(CCCCC2)C1 89794028 ZMQXYSIFMCEEAX-UHFFFAOYSA-N 305.447 3.043 0 40 DGAB COc1cc(C=O)c(Br)c(Br)c1OC 2729584 CSWPZHKAEDDEGY-UHFFFAOYSA-N 323.968 3.041 0 40 DGAB biogenic OC[C@H]1C=C[C@@H](Nc2cc(SCc3ccccc3)ncn2)C1 521396795 ZYTRVVRPDULDKP-LSDHHAIUSA-N 313.426 3.118 0 40 DGAB Cc1ccc(CN2Cc3cn(C)nc3-c3ccn(C)c3C2)s1 306135301 OMYNSLAEUDSIHF-UHFFFAOYSA-N 312.442 3.311 0 40 DGAB C[C@H](c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598338 XGRNMYZBIFHQFK-MRXNPFEDSA-N 320.440 3.442 0 40 DGAB CSc1ccnc(C[S@](=O)c2nc3ccccc3[nH]2)c1C 34103525 DENFLHAXXHNAPQ-OAQYLSRUSA-N 317.439 3.296 0 40 DGAB in-vitro O=C(N[C@@H]1CCCN(C2Cc3ccccc3C2)C1)C1=CCCCC1 12612698 IMSBTPYGXKNHSQ-LJQANCHMSA-N 324.468 3.235 0 40 DGAB Cc1cn[nH]c1[C@@]1(C)CCCN(C(=O)c2ccc(F)cc2)C1 72388832 KBSGFPBRKQMDCK-KRWDZBQOSA-N 301.365 3.051 0 40 DGAB Cc1ncsc1CCOC(=O)[C@@H]1CCOc2ccccc21 78442159 QNSAFYCYKSPTLR-CYBMUJFWSA-N 303.383 3.104 0 40 DGAB Cc1ccsc1CNS(=O)(=O)c1cccc(Cl)c1C 32433277 KGRVWLIHVVEIJF-UHFFFAOYSA-N 315.847 3.497 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)NCCSc2ccccc2)C1 79305984 XTYDBIBDMUQTIT-OAHLLOKOSA-N 322.474 3.237 0 40 DGAB FCCn1ncnc1CSc1nc2ccc(Cl)cc2[nH]1 225636958 RNGABIRIAVERRM-UHFFFAOYSA-N 311.773 3.070 0 40 DGAB O=C1COc2cc(NC(=O)NC3CCCCC3)c(Cl)cc2N1 44271300 KBUOSZRHNKLDSJ-UHFFFAOYSA-N 323.780 3.125 0 40 DGAB Fc1ccc2c(c1)OCCC[C@H]2NCCCOC1CCOCC1 195557715 QXELPWCEMBJMRX-QGZVFWFLSA-N 323.408 3.215 0 40 DGAB CCCNC(=S)Nc1ccc(N2C[C@@H](C)C[C@H](C)C2)nc1 223871631 ZOLWNDYMRQPNPG-STQMWFEESA-N 306.479 3.260 0 40 DGAB CC[C@@H](C)NC(=O)CCCn1cc(-c2ccc(OC)cc2)cn1 227166089 HHNJQTYOAVWDMM-CQSZACIVSA-N 315.417 3.254 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)NCCCc1ccccc1 42646489 MWYNHXPMZKAIQA-UHFFFAOYSA-N 324.424 3.498 0 40 DGAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@@H]21 136010088 AFCXYLNPPATXIV-PRRDBKRISA-N 311.356 3.474 0 40 DGAB COc1ccc(OCC[C@@H]2CCCNC2)c(Br)c1 42770172 NYTCDZGWYCOUGV-NSHDSACASA-N 314.223 3.226 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NC1CCCCCC1 225743162 MYLDMGXGGDXKRM-UHFFFAOYSA-N 312.413 3.149 0 40 DGAB CCSC1(CN[C@@H](C)c2cnn(C(C)C)c2)CCOCC1 96478235 OKKAIPBMTLCANZ-AWEZNQCLSA-N 311.495 3.417 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccncc1 96224016 MZKHNZIXBGBMPM-KRWDZBQOSA-N 321.380 3.379 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](C(N)=S)C[C@H]1c1ccccc1 95748821 YPPICKOBKKEXLU-OLZOCXBDSA-N 306.431 3.271 0 40 DGAB Cc1csc(CNCCC2CCN(c3ccncc3)CC2)n1 96499948 CYLQWAAFGVMZKB-UHFFFAOYSA-N 316.474 3.243 0 40 DGAB COc1c(F)cc(NC(=O)N[C@@H]2CC[C@@H](SC)C2)cc1F 96434193 JRBIOIKDHGBJNE-PSASIEDQSA-N 316.373 3.379 0 40 DGAB CCn1c(NC(=O)CC2(OC)CCC2)nc2cc(C)ccc21 580024812 HMPLNAFCTZXTAK-UHFFFAOYSA-N 301.390 3.262 0 40 DGAB CCCOCCc1nnc(NC(=O)Nc2ccccc2)s1 95116351 NDHYUFFWJHLUKX-UHFFFAOYSA-N 306.391 3.151 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@@H]4CC(=O)CC[C@@]43C)[C@H]1CCC2=O 245239112 FJZKBPUBWKYMHG-VRFXSNOCSA-N 302.414 3.346 0 40 DGAB O=C(CCc1ccncc1)N1CC2(CCC2)[C@H]1c1cccnc1 585130808 CLFZGCHMMMECHQ-GOSISDBHSA-N 307.397 3.163 0 40 DGAB Cc1cc(CC2CCN(C(=O)CCc3cccnc3)CC2)ccn1 257207674 BISHRZXCWAERBC-UHFFFAOYSA-N 323.440 3.199 0 40 DGAB Cc1nccc([C@@H]2CCCN2C(=O)C2CCC(F)(F)CC2)n1 257258526 KUJPLHWGBGGDQA-AWEZNQCLSA-N 309.360 3.274 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@H](Cc3cccnc3)C2)no1 257278409 OCDJGTSQGBCHAS-OAHLLOKOSA-N 313.401 3.117 0 40 DGAB CCN(c1ccc2[nH]ccc2c1)S(=O)(=O)CCC(F)(F)F 276166987 BZENRIHTWQCYNT-UHFFFAOYSA-N 320.336 3.276 0 40 DGAB CCCN1CC[C@@H](CNC(=O)CCc2ccc(Cl)s2)C1 53408799 HBMWBKUJEBAYAA-LBPRGKRZSA-N 314.882 3.182 0 40 DGAB Cc1oc(-c2cccs2)nc1Cn1ccnc1-c1cnccn1 69844388 MGUATFMCZFJWRB-UHFFFAOYSA-N 323.381 3.413 0 40 DGAB C[C@H](CCc1cccc(F)c1)NC(=O)Cc1cccc(O)c1 95397703 LBBRWFBIXHIFIM-CYBMUJFWSA-N 301.361 3.211 0 40 DGAB CCCc1nnc(N(C)Cc2ccc(Br)o2)s1 97016209 RKCWKGBHOAVTHA-UHFFFAOYSA-N 316.224 3.483 0 40 DGAB CCN(CC)C[C@@H](O)CCNc1ccnc2cc(Cl)ccc12 5573151 ZUMBGWGMKFFGGB-AWEZNQCLSA-N 321.852 3.393 0 40 DGAB O=C(O)C1CCN(c2ccc(-c3ccc(Cl)cc3)nn2)CC1 11568003 HAZFDKDOYRIUAQ-UHFFFAOYSA-N 317.776 3.098 0 40 DGAB C(=C(\c1ccccc1)c1nnnn1-c1ccccc1)\N1CCCC1 16450700 CRJCEOSQYGZPKM-OBGWFSINSA-N 317.396 3.147 0 40 DGAB COc1cccc(C(=O)NCCc2ccc(Cl)cc2)c1OC 17297604 CNZQNIIUXOQNNS-UHFFFAOYSA-N 319.788 3.330 0 40 DGAB CCN1C(=O)C(C)(C)COc2ccc(NC(=O)CC(C)C)cc21 8959420 QFPLCQUNHAPMGB-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB O=C(NCC1CCN(C2CCSCC2)CC1)c1cccs1 245015284 LUHXUZALJRWARG-UHFFFAOYSA-N 324.515 3.086 0 40 DGAB CC1(C)CC(NC(=O)NCc2ccccc2Cl)CC(C)(C)N1 26180271 NDQUGDYNIVLGGG-UHFFFAOYSA-N 323.868 3.448 0 40 DGAB Cc1cc(OCC2CCN(c3nc4ccccc4o3)CC2)ncn1 1565519477 PGBULYQDZAVWOW-UHFFFAOYSA-N 324.384 3.222 0 40 DGAB CCCCCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1 4615919 DHKYIMDRZJINAR-UHFFFAOYSA-N 308.389 3.326 0 40 DGAB Cn1cnc2c(NCC3(c4ccsc4)CCCC3)ncnc21 1775970979 LKGPZDFGBONITA-UHFFFAOYSA-N 313.430 3.349 0 40 DGAB CSc1nc(C)cc(N2CCC(Oc3nccs3)CC2)n1 2086882970 HWRFLFRFVRLPOL-UHFFFAOYSA-N 322.459 3.011 0 40 DGAB Fc1ccc2c(C3CCN(C[C@H]4CCOC4)CC3)noc2c1 351998469 VEOWNCFVCWAPAZ-GFCCVEGCSA-N 304.365 3.183 0 40 DGAB CC[C@@H]1CCc2c(sc(=O)n2Cc2csc(COC)n2)C1 96428914 OFNCEJGPLBSTBL-SNVBAGLBSA-N 324.471 3.076 0 40 DGAB NC(=O)[C@@H](Nc1ccc(OCC(F)(F)F)cc1)c1ccccc1 40484975 UESPFVIEHUCCJY-AWEZNQCLSA-N 324.302 3.266 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)Nc1cccc(C(=O)N(C)C)c1 40526911 DKWHFTCBBIRMJJ-CYBMUJFWSA-N 305.422 3.335 0 40 DGAB Cc1ccc(C(=O)C[C@]2(O)C(=O)N(C(C)C)c3ccccc32)cc1 299978 ZMSRXEBXNZVEPE-HXUWFJFHSA-N 323.392 3.211 0 40 DGAB Cc1cc(C(=O)Nc2cccc(S(C)(=O)=O)c2)c(C)s1 32767977 DXNXOAVYLLUIPQ-UHFFFAOYSA-N 309.412 3.021 0 40 DGAB O=C(NCCCOc1ccccc1)N[C@H]1CCc2ccccc21 32803460 DQGHDNHTBDCMCE-SFHVURJKSA-N 310.397 3.442 0 40 DGAB CCOC(=O)c1sc2nc(C)nc(N3CCCC3)c2c1C 109449 PMKDFJSAAORXEA-UHFFFAOYSA-N 305.403 3.085 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc3cc(C)ccc3o2)[C@@H](C)C1 78897249 JYPVYZZBVRMPJQ-YOEHRIQHSA-N 314.429 3.478 0 40 DGAB CCCCS(=O)(=O)Nc1ccc(NC(=O)c2ccoc2)cc1 78869595 HTECPPCFTAJWQN-UHFFFAOYSA-N 322.386 3.074 0 40 DGAB CCc1nnc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)s1 78942662 GCZWVEHMVNLSBU-HTQZYQBOSA-N 307.341 3.408 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2ccc(C)cc2)cc1 1943659 DXWAQOYAFYOQFP-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)CS[C@H]2c1cccs1 79479641 JTKAXBWXIXBIEQ-NSHDSACASA-N 309.416 3.243 0 40 DGAB Cc1ccn2c(=O)nc(SCc3cccc(Cl)c3)nc2c1 4503975 SEUDZWQJFFZKEI-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB Cc1c(C(=O)N(C)C2CCC(C)CC2)[nH]c2c1C(=O)CCC2 53282741 CQRAIRXOEUZTFD-UHFFFAOYSA-N 302.418 3.493 0 40 DGAB O=C(c1cccnc1)N1CC=C(c2c[nH]c3ccccc23)CC1 22481921 RNSBHHJDFXCWMK-UHFFFAOYSA-N 303.365 3.492 0 40 DGAB CN(c1ccccc1)C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 47278437 MMAYQNLXYOHXCY-UHFFFAOYSA-N 324.428 3.028 0 40 DGAB CC(=O)Nc1cc(C(=O)Nc2nc(C3CC3)cs2)ccc1F 53799636 DPDYNKPRNDXMCH-UHFFFAOYSA-N 319.361 3.370 0 40 DGAB Cc1nc(CN[C@@H](c2cccc(F)c2)c2nccn2C)cs1 42204362 KLQMUYQPRZBCMV-HNNXBMFYSA-N 316.405 3.203 0 40 DGAB COc1ccc(CCNC(=O)c2cc(Cl)c(Cl)[nH]2)cc1 23682446 HVPTZTPDEJEFOY-UHFFFAOYSA-N 313.184 3.303 0 40 DGAB C[C@H](c1nc(C(C)(C)C)no1)N(C)Cc1ccc2c(c1)OCO2 23904010 VZLXSTBQOWJDJH-LLVKDONJSA-N 317.389 3.289 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 24724838 CTADVXLQYCELCQ-INIZCTEOSA-N 316.401 3.102 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)OCc1nc(-c2cccnc2)no1 106555420 KEUMLIQUFNKWBR-OBJOEFQTSA-N 313.357 3.001 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)Nc1ccc2c(c1)OCO2 20111443 QIOVXWLHQNDEID-GFCCVEGCSA-N 313.353 3.384 0 40 DGAB O=C(OCCCCOC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CC=CCC1 104810759 RIBGLNIGLMQUBT-VVLHAWIVSA-N 318.413 3.422 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56200644 QAMFLWPMEJPUET-CABZTGNLSA-N 309.291 3.486 0 40 DGAB CCOc1ccc(C2(CNC(=O)C(C)(C)C)CCOCC2)cc1 56366282 RKMVCKSRMLKWCH-UHFFFAOYSA-N 319.445 3.296 0 40 DGAB CCOc1ccc(NC(=O)c2noc3c2C[C@@H](C)CC3)cc1 20176858 OLTPDCPPIVXBLE-NSHDSACASA-N 300.358 3.450 0 40 DGAB COCCSc1nnc2c(Cl)cc(C(F)(F)F)cn12 57883121 XOJNQPZJMWXLSR-UHFFFAOYSA-N 311.716 3.140 0 40 DGAB CSc1ccc([C@@H](C)NC(=O)/C=C/c2cnn(C)c2)cc1 27162376 XSZBZMPBUOFCQY-OXFRDRNISA-N 301.415 3.033 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2ccc(F)c(F)c2)c1 20029786 OSWGKPWOBOGUEL-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB CC(C)N1C(=O)[C@@](O)(c2c[nH]c3ccccc23)c2ccccc21 2135261 GYQXTTPCZDSQIZ-IBGZPJMESA-N 306.365 3.159 0 40 DGAB biogenic O[C@H]1CC[C@H](Nc2ncnc3ccc(Br)cc23)CC1 103761982 CJMNEKBDTOMFMK-PHIMTYICSA-N 322.206 3.108 0 40 DGAB Cc1c(C(=O)O[C@H](c2ccccc2)c2ccncc2)cnn1C 58406923 UXUYAOFUWVPCJF-QGZVFWFLSA-N 307.353 3.070 0 40 DGAB COc1cccc(OC)c1OCCCCNCc1ccco1 2277385 NWBGPWSXIXUYHZ-UHFFFAOYSA-N 305.374 3.246 0 40 DGAB C[C@H](OC(=O)c1ccc(N2CCCC2)nc1)c1nccs1 97164174 DGOUXXNOKRYBSO-NSHDSACASA-N 303.387 3.056 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1sccc1C)CC2 2340595 CJOYLBYPYUUJGY-UHFFFAOYSA-N 317.410 3.272 0 40 DGAB COC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1C 3402343 JLOIWGDITLLDEM-UHFFFAOYSA-N 319.430 3.045 0 40 DGAB CS[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 49344984 KEURRCGYEFBRAR-VXGBXAGGSA-N 312.866 3.034 0 40 DGAB CN(C(=O)C[S@@](=O)Cc1ccccc1Cl)c1ccccc1 5208501 FCYYSJCTCULPMQ-OAQYLSRUSA-N 321.829 3.252 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)NCc1ccc(C)cc1 5243789 JPMSZLOVZQLHEO-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB CCc1nnc([C@@H]2Cc3ccccc3CN2Cc2cc(C)on2)o1 65552449 UXVYYCBCSQGSFZ-INIZCTEOSA-N 324.384 3.228 0 40 DGAB CC[C@H](C)N(C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 66196966 XLWASFMLSARGGW-HOTGVXAUSA-N 305.466 3.428 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N(C)Cc2scnc2C)c(C)c1 66580212 WFMLOFWPIHJFEL-UHFFFAOYSA-N 324.471 3.197 0 40 DGAB CCc1cnc(CCNC(=O)N2CC[C@@H]3CCCC[C@@H]32)s1 80532616 JFGPWYLPVOZDSN-JSGCOSHPSA-N 307.463 3.222 0 40 DGAB C[C@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccs1 8344148 XQVIKWIGSIKPNZ-LBPRGKRZSA-N 314.410 3.366 0 40 DGAB C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 70172478 JNSZDWGUOHDHDI-KOLCDFICSA-N 301.217 3.193 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69489421 PWYNFXFDMHLXLO-IRXDYDNUSA-N 323.444 3.176 0 40 DGAB C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1cccs1 97018506 NKSGXCIMLYSTAW-LLVKDONJSA-N 303.383 3.208 0 40 DGAB COc1ccc(N(Cc2ccco2)C(=O)COC(C)C)cc1F 72292266 VWEOUTRCZMPICY-UHFFFAOYSA-N 321.348 3.386 0 40 DGAB CCCOCCOC(=O)c1ccnc(N2C[C@@H](C)C[C@H](C)C2)c1 72311004 WSWUZSBECGAYJR-GJZGRUSLSA-N 320.433 3.147 0 40 DGAB Cc1noc(C)c1COC(=O)c1cc(-c2cccs2)n[nH]1 72332249 RTCSZMPOPUQMIC-UHFFFAOYSA-N 303.343 3.100 0 40 DGAB CCCCc1noc([C@H](C)N2CCC(c3cn[nH]c3)CC2)n1 97203535 XDTOSQQDKUVSJA-LBPRGKRZSA-N 303.410 3.076 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NCc2cscn2)cn1 95430869 PPGAYPPLMFUNES-UHFFFAOYSA-N 306.391 3.497 0 40 DGAB OCCOc1ccc(NCc2cccc(-c3ccncc3)c2)cn1 95436167 XYXVSNLQSJCVRQ-UHFFFAOYSA-N 321.380 3.127 0 40 DGAB Cc1nc(NS(=O)(=O)c2cccc3cccnc23)sc1C 95962208 SAXPEVSSVNQFOJ-UHFFFAOYSA-N 319.411 3.109 0 40 DGAB COC(=O)[C@@H]1CCCCC[C@@H]1NCc1nc2ccccc2o1 95941447 GPMDUHNDQJMJCB-OLZOCXBDSA-N 302.374 3.039 0 40 DGAB Cn1cc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)ccc1=O 95950719 FVFVMVHTBLNNGY-SFHVURJKSA-N 310.397 3.047 0 40 DGAB COc1cc([C@@H](C)NC(=O)NCc2cccc(C)n2)ccc1F 95980055 JHHNIIIUIKILLX-GFCCVEGCSA-N 317.364 3.098 0 40 DGAB CC[C@H]1CCCN(C(C)(C)CNC(=O)CCc2nccs2)C1 78917049 MNKSANCNHUOPCQ-AWEZNQCLSA-N 323.506 3.093 0 40 DGAB CCCCCN1C(=O)CCc2cc(OCCC(=O)O)ccc21 218786459 FELHAYBQGFKECE-UHFFFAOYSA-N 305.374 3.010 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@H](C)O[C@H](C)C1 121845479 ONCOWJYBFYSMOH-TXEJJXNPSA-N 316.426 3.368 0 40 DGAB CC(C)c1nccn1CCC(=O)N1CCC[C@@H]1c1cccn1C 72832020 KHSWSAUCAQFYRI-MRXNPFEDSA-N 314.433 3.099 0 40 DGAB CN(CC[C@H]1CCCCN1C)C(=O)Nc1cccnc1Cl 75503400 PXPXBIIGGLEWGX-GFCCVEGCSA-N 310.829 3.073 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)c2cnn(C)c2n1 36616581 HXXLLROEURMGDO-UHFFFAOYSA-N 318.739 3.322 0 40 DGAB CSC1(CNc2ncnc3ccc(F)cc23)CCOCC1 78412672 NNXGPNFPGMWTCL-UHFFFAOYSA-N 307.394 3.093 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2cccc(Cl)c2)C1=O 36635389 DODHHCRGJAGHIB-AWEZNQCLSA-N 314.772 3.392 0 40 DGAB CCCO[C@H]1CCCN(C(=O)[C@]2(C)CC2(Cl)Cl)CC1 78671153 ZGHVWJZZCVSFAU-AAEUAGOBSA-N 308.249 3.378 0 40 DGAB COC(=O)CSCCC(=O)N(c1cc(C)ccc1C)C(C)C 78612039 GSMDFSSSULUTNL-UHFFFAOYSA-N 323.458 3.341 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(Cl)c2NC(C)C)c(=O)[nH]1 80446444 NIOVQMDIZXWCHX-UHFFFAOYSA-N 319.792 3.409 0 40 DGAB COc1ccc(Oc2ncccc2NCc2cncnc2)cc1 195573336 GTUMMJDJIAYWJL-UHFFFAOYSA-N 308.341 3.285 0 40 DGAB O=C(c1ccc(Cl)cc1)[C@@H]1CCCN(C(=O)C(F)(F)F)C1 82238072 KBCCOGDOCYJHSQ-SNVBAGLBSA-N 319.710 3.324 0 40 DGAB Cc1ccnc(NC(=S)N[C@@H](C)COc2ccccc2)c1 225784587 ZGVRIKPVKONKCN-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 224087367 XSVHECDLKBVVBE-GUDVDZBRSA-N 312.457 3.025 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@](C)(CNc2cccc(CO)c2)C1 195230283 JJWVXWIQDPHMMH-SFHVURJKSA-N 320.433 3.238 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1C[C@@H]1c1ccco1 81612119 YBYKPWDGYXBMPF-VNQPRFMTSA-N 310.397 3.250 0 40 DGAB Cc1nc([C@H]2COCCN2C(=O)c2sccc2C)cs1 96217374 PPCLHSBJWUGCFP-GFCCVEGCSA-N 308.428 3.035 0 40 DGAB CC(=O)N1CCc2nc3ccc(Br)cc3c(C)c2C1 96501809 PNFKCAZNZAYYKZ-UHFFFAOYSA-N 319.202 3.210 0 40 DGAB C[C@H](CNC(=O)N[C@H]1CCOc2ccccc21)c1nccs1 96013785 UZQFAHGDSUPHJP-YPMHNXCESA-N 317.414 3.070 0 40 DGAB Cc1nc([C@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)cs1 96410681 JLMHCBFIPVQWIZ-JLTPVHFHSA-N 323.443 3.072 0 40 DGAB CCCn1cc(NC(=O)Cc2coc3cc(OC)ccc23)cn1 96431427 FNJCVJPBMCSRGD-UHFFFAOYSA-N 313.357 3.229 0 40 DGAB O=C1NCC[C@H]1Nc1ccc(Oc2cccc3cccnc23)cc1 96482617 GFXGUQCHBVFFMI-MRXNPFEDSA-N 319.364 3.328 0 40 DGAB Cc1cc(CSc2nc3ncccn3n2)c2ccccc2n1 96409764 JSNUEPVTCYABHO-UHFFFAOYSA-N 307.382 3.273 0 40 DGAB Cc1nc(-c2ccccc2C(=O)O)cc([C@@H]2CCCCN2C)n1 257292323 QKZCBOMQCURRLK-KRWDZBQOSA-N 311.385 3.307 0 40 DGAB Cc1ccc(NC(=O)N2CC[C@H](Oc3ccncc3)C2)cc1C 127055165 MDQALCDBXOUYOB-KRWDZBQOSA-N 311.385 3.384 0 40 DGAB Cn1cncc1[C@@H]1CCCN(C(=O)Cc2ccccc2Cl)C1 1551829357 DFXWWQGSWQUELO-CQSZACIVSA-N 317.820 3.022 0 40 DGAB CC(C)c1csc2nc(Cc3ccn(C(C)C)n3)[nH]c(=O)c12 77109214 ITYNLTXFDCPPAV-UHFFFAOYSA-N 316.430 3.476 0 40 DGAB CN(C(=O)OCc1ccccc1)C12CCC(C(=O)O)(CC1)CC2 1083806952 FAGNYYWMFGUVLT-UHFFFAOYSA-N 317.385 3.433 0 40 DGAB N=C(N)SCc1nc2ccccc2n1CCc1ccccc1 4284881 AQEQOCLXTPRSAJ-UHFFFAOYSA-N 310.426 3.406 0 40 DGAB C[C@@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cn1 5528802 FJYYFPZTCJWZKP-SNVBAGLBSA-N 310.781 3.186 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)c2cc(C)ccc2C)cc1 14220701 PVMQTTBANRSVRJ-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3ccccc3)c2F)cc1 4348106 RGQCLTBTYKIAFS-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@](CC(=O)O)(c2ccccc2)C1 12336546 BQZNDFIYDIEHDB-KRWDZBQOSA-N 305.374 3.040 0 40 DGAB CCC[C@H](C)NC(=O)c1ccccc1I 4550704 VUFIEPYHZZCILU-VIFPVBQESA-N 317.170 3.210 0 40 DGAB Cc1nc(C)c(C(=O)NCc2nc3ccccc3s2)s1 31099469 YTGPULQWNPCESZ-UHFFFAOYSA-N 303.412 3.300 0 40 DGAB CCN1C(=O)c2cccc3c(NC(=O)c4ccno4)ccc1c23 9625110 BXAXZDGHPXKHCT-UHFFFAOYSA-N 307.309 3.060 0 40 DGAB CCSc1nc2[nH]c(-c3cccc4ccccc34)cc(=O)n2n1 101403630 XUIRGROBVJDJSN-UHFFFAOYSA-N 322.393 3.350 0 40 DGAB CN1CCN(C(=O)c2cc3ccccc3[nH]2)[C@H](c2ccccc2)C1 30029995 LVCMJARFKNEHAF-IBGZPJMESA-N 319.408 3.297 0 40 DGAB CN(C)C1(CNC(=O)C23CC4CC(CC(C4)C2)C3)CCCC1 40092717 DBQABZQMFLZBDY-UHFFFAOYSA-N 304.478 3.193 0 40 DGAB Cc1ccc2nc(-c3ccccc3)c(CN3CCOCC3)n2c1 20366662 SAHSVSGSWGJFCC-UHFFFAOYSA-N 307.397 3.142 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)cc1 101275965 OBIXHRAEUUTZOG-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB Cc1oc(-c2cccs2)nc1CN1CCC[C@H](CCO)C1 51916917 JCGAKFNISRWOHX-CYBMUJFWSA-N 306.431 3.306 0 40 DGAB Cc1noc(C)c1COC(=O)c1ccc(Br)o1 60505826 IWNVUSWLTUFHBW-UHFFFAOYSA-N 300.108 3.004 0 40 DGAB Cc1ccc2nc(NC(=O)CSc3ncccn3)sc2c1 8710446 XIZAUFRRFBJTOI-UHFFFAOYSA-N 316.411 3.126 0 40 DGAB CCc1nnc(NC(=O)c2ccc(OC(C)C)c(OC)c2)s1 8745671 UZOFTBOMWHBKKG-UHFFFAOYSA-N 321.402 3.149 0 40 DGAB Cc1ccc(O[C@H](C)CNC(=O)Cc2c(C)noc2Cl)cc1 76066509 FRRIUBMZUGUZEN-LLVKDONJSA-N 322.792 3.071 0 40 DGAB CCN(CC)CC[C@]12C[C@@H](C)OC1=Nc1ccccc1NC2=O 1609116 PYBOAHCWXQSJAD-FZKQIMNGSA-N 315.417 3.196 0 40 DGAB COc1ccc(-c2nnc(-c3ccc(OC)c(OC)c3)o2)cc1 3093347 XLCRJUFVDQGKQV-UHFFFAOYSA-N 312.325 3.429 0 40 DGAB COc1ccccc1[C@@H]1C[C@H](c2ccccc2)Nc2nc(N)nn21 531320 YIKOHTAXOUEZNT-CABCVRRESA-N 321.384 3.015 0 40 DGAB C[C@@]1(C(=O)Nc2ccccc2Cl)Cc2ccccc2C(=O)O1 547071 QXBPDGOMYFIEJX-KRWDZBQOSA-N 315.756 3.450 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cccc(O)c1 4910139 ZLQXPCXOHCZIBX-QGZVFWFLSA-N 323.352 3.331 0 40 DGAB CC(C)C(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4998183 OBPGFIGKKLOUSS-UHFFFAOYSA-N 301.390 3.306 0 40 DGAB Cc1cccc(NC(=S)NCCCN2CCC(C)CC2)c1 7027249 RKXGFOQJXURSOU-UHFFFAOYSA-N 305.491 3.403 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(C)cc2)cc1 7216940 OHXZJKHAQNTXSB-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)NCCCC2CCCC2)c1 53422280 KOTWZDJMLMNVHI-UHFFFAOYSA-N 306.381 3.484 0 40 DGAB Cc1cc(-c2nnc3sc(/C=C/c4ccccc4)nn23)[nH]n1 22501883 UOEVRNMHZRHQAN-BQYQJAHWSA-N 308.370 3.055 0 40 DGAB Cc1ccc(-c2nn3c(CCc4ccccc4)nnc3s2)cn1 10311939 LWCDITQZWSBYNX-UHFFFAOYSA-N 321.409 3.341 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cc1 8041385 WHKLEDXICBNHBI-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB COc1nc2ccccc2cc1CN1CCC[C@H](c2ncc[nH]2)C1 92072054 JJBFGKBEQVZGOM-HNNXBMFYSA-N 322.412 3.346 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H](c2nccs2)C2CC2)cs1 84274671 JWJYLJZHJLJYHA-GFCCVEGCSA-N 322.459 3.201 0 40 DGAB CC(=O)Nc1ccc2c(c1)C(=O)N(c1cccc(C)c1C)C2=O 1010649 QAROTLMLPAXLAK-UHFFFAOYSA-N 308.337 3.062 0 40 DGAB COc1ccc(C)cc1NC(=O)C(=O)Nc1cc(C)cc(C)c1 9910956 FYVIFDLDUFPSAR-UHFFFAOYSA-N 312.369 3.198 0 40 DGAB CSc1ccc(C(=O)Nc2ccccc2-n2cncn2)cc1 25002315 ISFKRFCDPTXCAE-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB CCOCC1CCN(CC(=O)Nc2ccc(C)cc2Cl)CC1 71904347 ACXLNFKIGBZTLS-UHFFFAOYSA-N 324.852 3.335 0 40 DGAB Oc1ccc(Br)c2ccc(CCN3CCCC3)nc12 59474708 XWSLTQCOBPKTOZ-UHFFFAOYSA-N 321.218 3.341 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)Nc2ccc(N3CCCC3)nc2)o1 48086287 CSNGYMFDAMGQPV-CYBMUJFWSA-N 314.389 3.466 0 40 DGAB Cn1cccc1[C@@H]1CCCN1Cc1nc(O)c2sccc2n1 35399822 QDXJQUVDHYDFEZ-ZDUSSCGKSA-N 314.414 3.073 0 40 DGAB C[C@H]1C[C@]2(CO)[C@H]3CC[C@]4(C)[C@@H](O)CC[C@H]4[C@@H]3CC[C@@H]2CC1=O 118928804 OXYCLRYUYLGPSO-IZQYUZNJSA-N 320.473 3.178 0 40 DGAB CC(C)(C)OC(=O)NC1C[C@@H]2CCC[C@H](C1)C2(O)C(F)(F)F 57218939 BOFSILUSRBBRJC-QLHKPRNWSA-N 323.355 3.383 0 40 DGAB CCc1nnc(C2CCN(C(=O)c3ccc(F)cc3)CC2)s1 23140736 HOWFMWHVZXDJAO-UHFFFAOYSA-N 319.405 3.259 0 40 DGAB Cc1nc2ccc(C(=O)NOCc3ccccc3)cc2nc1C 48235778 SWPUTMIZWYUMFV-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccc(F)cc2)c2c(C)noc2n1 48249188 DOCKUXSCEFLODI-UHFFFAOYSA-N 313.332 3.251 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc2c(c1)OCO2 44980050 AZYOHOJYJRPTHP-AWEZNQCLSA-N 314.366 3.174 0 40 DGAB Cc1noc(-c2ccccc2NC(=O)C(Cl)(Cl)Cl)n1 22464295 SGGOYFUEEAJYBM-UHFFFAOYSA-N 320.563 3.354 0 40 DGAB O=C(Nc1ccccc1)N1CCC(c2nnc3ccccn23)CC1 11008729 KIXYSOWIKXDXFI-UHFFFAOYSA-N 321.384 3.141 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccccc2Cl)c1O 3457885 HIXBCTCBXGONDV-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB O=c1c2ccccc2cnn1Cc1ccccc1Br 12950621 FRMRMHXDWBAATL-UHFFFAOYSA-N 315.170 3.207 0 40 DGAB Cc1ccnc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c1 9119095 UVNZHGHCBSEYPT-UHFFFAOYSA-N 304.733 3.067 0 40 DGAB O=c1ccc2ccc(OCc3nc(-c4ccccc4)no3)cc2o1 5347427 VSTYGBKBEFHLEA-UHFFFAOYSA-N 320.304 3.422 0 40 DGAB O=C(COc1ccccc1Cl)Nc1nc2ccccc2[nH]1 6506979 OHMMJKFZWGZMJS-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB CN(C)[C@H](CNC(=O)c1c(F)cccc1Cl)c1ccco1 6638342 QELAGBPEBHEWLI-GFCCVEGCSA-N 310.756 3.105 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N(C1CCCCC1)C1CC1 66321013 GCEASECWGKOEFA-UHFFFAOYSA-N 310.401 3.205 0 40 DGAB CCc1c(C)sc(NC(=O)c2cc(C)oc2C)c1C(N)=O 28225714 RSVCNXFYSNGXSG-UHFFFAOYSA-N 306.387 3.180 0 40 DGAB CSc1ncccc1C(=O)N[C@H]1CCOc2ccccc21 7215379 ARMXSTLONKWMER-ZDUSSCGKSA-N 300.383 3.057 0 40 DGAB Cn1ccc(CNC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)c1 81510607 KTUZZKSXAVFPIG-INIZCTEOSA-N 319.355 3.350 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1cccs1 69652469 LXQRLGCELXIWEY-HOTGVXAUSA-N 306.475 3.156 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)Nc2nccs2)CC1 42757486 OIFHHZRSDPSRLP-UHFFFAOYSA-N 315.398 3.270 0 40 DGAB CS[C@@H](C)CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 97080643 KLUXNCMSPKPFNV-SMDDNHRTSA-N 324.494 3.405 0 40 DGAB C[C@H]1C[C@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1 72281409 QPMVWQSKKAKOBT-LRDDRELGSA-N 310.353 3.055 0 40 DGAB Cc1ccc(F)c(OCC(=O)c2cc(C(=O)N(C)C)cs2)c1 95425970 OMLGLNKVPRGNHK-UHFFFAOYSA-N 321.373 3.159 0 40 DGAB C[C@@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 95463500 UDNJZZKHWSPBAF-RDTXWAMCSA-N 317.429 3.443 0 40 DGAB CCCc1sc(C(=O)N[C@H]2CCC3(C2)OCCO3)cc1CC 95991392 QAYLSBUPMRRMNJ-ZDUSSCGKSA-N 323.458 3.288 0 40 DGAB Cc1cccc(CN(Cc2cnn(C)c2)Cc2cccc(C)n2)n1 95964665 BYSFMYOLOZMEER-UHFFFAOYSA-N 321.428 3.029 0 40 DGAB Nc1nc(CSCc2ccccn2)nc(Nc2ccccc2)n1 95991003 PGLRVICKBVRQEY-UHFFFAOYSA-N 324.413 3.026 0 40 DGAB c1ccc(CN(Cc2ccco2)c2ncnc3[nH]ncc23)cc1 88727255 FCDWDKAQHPBUTN-UHFFFAOYSA-N 305.341 3.153 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 89319434 OFFPAQDWPSWJQS-JKSUJKDBSA-N 321.490 3.496 0 40 DGAB CC(C)c1nnc(NC(=O)/C=C/c2ccc3c(c2)CCO3)s1 9954664 XWORDCUFRMRSAA-GQCTYLIASA-N 315.398 3.248 0 40 DGAB COCCCNC(=S)Nc1cccc(-c2csc(C)n2)c1 23103097 XXROHCFZUTYJHV-UHFFFAOYSA-N 321.471 3.441 0 40 DGAB CC1(C)Cc2occc2[C@H](NCc2nnc3n2CCCC3)C1 183848648 RPFSKJLGEWUKEV-CYBMUJFWSA-N 300.406 3.011 0 40 DGAB C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cnnc2ccccc12 529220303 CAFOGSQXWPXILS-JOYOIKCWSA-N 309.291 3.043 0 40 DGAB CC(=O)N1CCC(Cc2ccc(Cc3ccc(C)cc3)nn2)CC1 72360613 IKVAECFSPOOPNY-UHFFFAOYSA-N 323.440 3.177 0 40 DGAB CN(CCc1ccncc1)Cc1nccn1Cc1ccccc1 75915479 SQKONDYKXYLXGQ-UHFFFAOYSA-N 306.413 3.001 0 40 DGAB O=C(O)[C@@H]1CCCN(c2ccc(-c3ccc(Cl)cc3)nn2)C1 11568030 VSJWFYIUMPSFME-GFCCVEGCSA-N 317.776 3.098 0 40 DGAB O[C@@H](CSCc1nc(C(F)(F)F)cs1)C(F)(F)F 191146647 HXJBFZYVKJEBQY-YFKPBYRVSA-N 311.272 3.318 0 40 DGAB Cc1ccccc1-c1c(C)nn(Cc2ccccc2)c1C(N)=O 228945591 NMLBHPDRGDECAR-UHFFFAOYSA-N 305.381 3.314 0 40 DGAB COc1ccc2cc(C(=O)NCc3ccc(C)cc3)c(=O)oc2c1 226042571 XWBVNRCCVUNGPB-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB COc1ccnc(CN2C[C@@H]3CCC(=O)c4cccc2c43)c1OC 191117234 KFPYBCFNELGMGY-LBPRGKRZSA-N 324.380 3.179 0 40 DGAB CCN(CC)c1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 95097133 XSYFDBQCXSJRNJ-UHFFFAOYSA-N 308.378 3.423 0 40 DGAB O=C(Cc1cccs1)N1C[C@H](n2ccnc2)Cc2ccccc21 96426005 VNJBNQCQHQYUCD-OAHLLOKOSA-N 323.421 3.318 0 40 DGAB Cc1csc([C@@H](NC(=O)[C@H]2COc3ccccc32)C2CC2)n1 96425455 GJOCOTGRNJMVQU-ZFWWWQNUSA-N 314.410 3.195 0 40 DGAB CCOC(COc1ccc(Br)cc1F)OCC 98210673 LDCCPHBYBRPJOF-UHFFFAOYSA-N 307.159 3.366 0 40 DGAB CCSc1ccccc1OC(=O)c1c(C)nn2cccnc12 96408019 ACJZHROUPYMREM-UHFFFAOYSA-N 313.382 3.369 0 40 DGAB Cc1ccnc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)c1 96192954 WYXYKZVOANLKGO-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB CC(=O)c1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)cc1 96432428 QDIMWQGQUOWEOR-UHFFFAOYSA-N 312.344 3.125 0 40 DGAB CC(=O)c1c(F)cccc1NCC[S@@](=O)Cc1ccccc1 96408670 WZHNNLXYYKSAFS-QFIPXVFZSA-N 319.401 3.389 0 40 DGAB Brc1cc2c(s1)CCN(Cc1ccccn1)C2 95097537 GWLHQCVHRQGVDR-UHFFFAOYSA-N 309.232 3.464 0 40 DGAB Cn1ccc2ccc(C(=O)Nc3ccc4c(c3)COC4=O)cc21 95480117 KIGVDHFXCWPTNY-UHFFFAOYSA-N 306.321 3.101 0 40 DGAB O=C(O)C[C@H](NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1 96402460 NDDNNYUNQDYROK-UWTJGZSJSA-N 319.357 3.233 0 40 DGAB CCOc1cccc(CNC(=O)C2(c3ccncc3)CCC2)c1 585122255 UBJPKAOQNVLIRL-UHFFFAOYSA-N 310.397 3.218 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1ccnc(F)c1Cl 585131737 FEBWXXBDRWIYOT-UHFFFAOYSA-N 304.752 3.336 0 40 DGAB O=S(=O)(NCc1ccccc1Cl)c1ccc(F)s1 252492465 MNBRQUDPWUQJGU-UHFFFAOYSA-N 305.783 3.019 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257254370 KCTPXKRPXXXRFD-GOSISDBHSA-N 321.424 3.359 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C(=O)C[C@H]4CCC(=O)C[C@@]43C)[C@H]1CC[C@H]2O 254737775 PRCPAPQMRSUFRB-HHLQAYGYSA-N 304.430 3.138 0 40 DGAB O=C(C1CCCC1)N1CCCC[C@@H]2NC[C@@H](c3ccccc3)[C@@H]21 257204478 AUTUKFXEBKEAJC-FHWLQOOXSA-N 312.457 3.313 0 40 DGAB Cc1nc2cc(NC(=O)[C@@H]3CC(c4ccccc4)=NO3)ccc2o1 47933060 TYMNAJJYAFUIRJ-KRWDZBQOSA-N 321.336 3.268 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CC(Cc3cccc(C)c3)C2)cc1 85458229 BNHXFXJNRVNOPL-UHFFFAOYSA-N 322.408 3.268 0 40 DGAB COc1ccc2oc(CNC3CCC4(CC3)OCCO4)cc2c1 97022809 FIBDLPPXXFRSES-UHFFFAOYSA-N 317.385 3.217 0 40 DGAB CCc1ccccc1CN1CCCNC(=O)[C@@H]1Cc1ccccc1 550226420 NYLLIKGNADNLTD-FQEVSTJZSA-N 322.452 3.182 0 40 DGAB Cc1ccccc1C1(O)CCN(C[C@@H](O)c2ccccc2)CC1 12292077 MXOQEFMVFKNUBL-LJQANCHMSA-N 311.425 3.012 0 40 DGAB COc1cccc(NC(=O)NCCOc2ccc(C)cc2)c1 13048853 WXFOTXYICDHLDR-UHFFFAOYSA-N 300.358 3.204 0 40 DGAB COc1ccc(CC(=O)N2c3ccccc3C[C@@H]2C)cc1OC 13671130 JWKMDQVARRVXTH-ZDUSSCGKSA-N 311.381 3.224 0 40 DGAB CCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)n1CC 13992585 WNRTZDVMVZCOEB-UHFFFAOYSA-N 318.446 3.208 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@@]1(O)C=CCCC1 618257060 QEQOVKMSZBBNCB-QGZVFWFLSA-N 323.820 3.085 0 40 DGAB CCCCNC(=O)c1cccc(CSc2nccn2C)c1 31866685 VCCUGZWSKBHHIX-UHFFFAOYSA-N 303.431 3.242 0 40 DGAB COc1ccc(CNC(=O)CCc2c[nH]c3ccccc23)cc1 3410231 YAORMDMSQOUEPF-UHFFFAOYSA-N 308.381 3.426 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1F)N1CCc2sccc2C1 10106630 DTABTISXRNDOHP-NSHDSACASA-N 304.390 3.273 0 40 DGAB Cc1nc(C(=O)N[C@H](C)c2ccccc2)cc(C(F)(F)F)n1 1888860508 PXYSZTMLDODPGQ-SECBINFHSA-N 309.291 3.295 0 40 DGAB COc1ccccc1N1CCN(c2cc(C3CCC3)ncn2)CC1 1888875783 NWIZCUHCQQTEMK-UHFFFAOYSA-N 324.428 3.079 0 40 DGAB CCCc1nc2c3ccccc3n(Cc3ccccc3)c(=O)n2n1 1889056396 JTLTVDHYJNUOKG-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB O=C(Nc1ccc(Br)c2cccnc12)[C@H]1CCCO1 27930492 LEIPJBSAUYIXCT-GFCCVEGCSA-N 321.174 3.115 0 40 DGAB Cc1ccc([C@H](CNc2ncnc3ncccc23)N(C)C)cc1 1775970614 GVZIHYUKJGBKML-INIZCTEOSA-N 307.401 3.048 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2ccnc3ccsc23)C1 2086882917 ANDTUDBAXLRLHH-NSHDSACASA-N 303.431 3.037 0 40 DGAB O=c1c2ccc(Cl)cc2nc(S)n1Cc1ccccc1 100433180 LAADWZIYYAUINP-UHFFFAOYSA-N 302.786 3.387 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@H]1c1ccsc1 40534406 MANWVBSLVGVJDI-HNNXBMFYSA-N 303.431 3.005 0 40 DGAB Cc1cccc(NC(=O)COc2nc(C)nc3ccccc23)c1 21361044 FQHLAGHTMQYYRD-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB Cc1nc(SCC(=O)Nc2ccc(F)c(F)c2)nc(C)c1C 2624351 RXRRBFVWRCRSCO-UHFFFAOYSA-N 323.368 3.411 0 40 DGAB O=C(N[C@H](c1ccc(F)cc1)C1CCC1)N1CCC(CO)CC1 69415147 CRLBQYBVDHHICR-KRWDZBQOSA-N 320.408 3.081 0 40 DGAB COc1ccc(CNC(=O)COc2ccc(Cl)cc2)cc1 711686 BSFBTVGLQJPDNK-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB FC(F)(F)c1ccc(CNc2nnnn2-c2ccccc2)cc1 1351954 DQOAYJXAXYLXQN-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccccc1Cl 1773779 DPUXVSNRSUYKDR-UHFFFAOYSA-N 306.793 3.285 0 40 DGAB CC(C)(NC(=O)Nc1ccccc1)c1cn(-c2ccccc2)nn1 79068884 LZRHLIMXLKNWAF-UHFFFAOYSA-N 321.384 3.324 0 40 DGAB C[C@H](O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 79025601 PLQJXBBTMYOKNE-VIFPVBQESA-N 319.298 3.078 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCCCc2ccccc2)c1 3324464 GNUMLIFDIXEMDK-UHFFFAOYSA-N 303.427 3.215 0 40 DGAB Cc1ccc(-n2ncc3c(N4CCC[C@@H](C)C4)ncnc32)cc1 4355032 SRMDUHBOVWQHCJ-CQSZACIVSA-N 307.401 3.360 0 40 DGAB C[C@H](O)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 4403851 TWOKHGIHLYQYCK-JGBSRCSISA-N 304.430 3.233 0 40 DGAB CC[C@@H](OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 6356117 NKYWMAGCRMHOMJ-OGWHTMIXSA-N 305.462 3.493 0 40 DGAB C1C[C@@H]2[C@H]3[C@H]1O[C@H]1C[C@]14[C@H]1[C@H]5CC[C@@H]6O[C@H]7C[C@@]78[C@H]([C@H]65)[C@@H]1[C@@H]([C@@H]34)[C@@H]28 104288622 JBQGDLRPBXUISA-XHKJCCFWSA-N 322.448 3.105 0 40 DGAB CN(C)CCSc1nc(C(F)(F)F)nc2ccccc12 58055308 YCAMMWWKHXIJQE-UHFFFAOYSA-N 301.337 3.302 0 40 DGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccccc1F 10449990 HLEJXHIEJIPDNE-GFCCVEGCSA-N 305.374 3.107 0 40 DGAB O=c1c(Cl)c(N2CCCC2)cnn1-c1cccc(Cl)c1 3104672 LOZJMTICECVKQW-UHFFFAOYSA-N 310.184 3.140 0 40 DGAB O=C(CCC(=O)OCC(F)(F)F)Nc1ccc(Cl)cc1 3141372 AWIVGZSLENRYHO-UHFFFAOYSA-N 309.671 3.164 0 40 DGAB Cc1ccc(CNC(=O)NCCCCN2CCC[C@@H](C)C2)cc1 43050214 LUURZCTZINWKSM-QGZVFWFLSA-N 317.477 3.306 0 40 DGAB COc1ccccc1-c1nnc(SCc2ccccn2)n1C 1332752 FUPZOTQSMWVSFO-UHFFFAOYSA-N 312.398 3.178 0 40 DGAB O=C(Cc1noc2ccccc12)N[C@@H]1CCc2cc(F)ccc21 56315023 XHGANKYEJOANCT-OAHLLOKOSA-N 310.328 3.313 0 40 DGAB Cc1ccsc1C(=O)N1C[C@H]2CC[C@H]1[C@@H]2Oc1cccnc1 107049311 AIPADIHYYQYROV-VHDGCEQUSA-N 314.410 3.134 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1cc(F)ccc1F 97140019 FLSHKCZTDPEIEU-JTQLQIEISA-N 322.359 3.355 0 40 DGAB CN1CC[C@@]2(CCCN(Cc3ccccc3Cl)CC2)C1=O 108533211 GAHGJNMQYSKQME-QGZVFWFLSA-N 306.837 3.174 0 40 DGAB NC(=O)c1ccc(C(=O)C(Cl)(Cl)c2ccccc2)cc1 3313575 XRXBPIHZWGKPTN-UHFFFAOYSA-N 308.164 3.299 0 40 DGAB COc1ccc(CNCc2c[nH]nc2C(C)(C)C)cc1OC 97159130 CQEGYHPUYZYZLD-UHFFFAOYSA-N 303.406 3.014 0 40 DGAB Cc1ccccc1OCCN(C)CC(=O)N[C@H]1CCCC[C@H]1C 12751283 OFTRZKHUUHQWAT-WBVHZDCISA-N 318.461 3.001 0 40 DGAB CC(C)OCCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1 57159446 IDGRPIIMDILAET-UHFFFAOYSA-N 313.825 3.429 0 40 DGAB Nc1c(Cl)cc(NC(=O)[C@@H]2CC23CCOCC3)cc1Cl 72312730 AXLVYDRATWWHJU-VIFPVBQESA-N 315.200 3.331 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1 97378733 FCKRYRKNYLOTST-MLGOLLRUSA-N 317.364 3.081 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NCc2ccc(F)cc2)cc1C 28577809 SZDJCWVSAUYDFV-UHFFFAOYSA-N 307.390 3.229 0 40 DGAB CN(CC(=O)N(C)Cc1ccsc1)Cc1ccccc1Cl 48364681 LJYPXRGYKJCDTC-UHFFFAOYSA-N 322.861 3.492 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3C)c2C)cc1 11689750 HYZNJIHPKLBHIA-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CCCc1n[nH]c(SCC(=O)c2ccc(Cl)s2)n1 12971234 LESQRGUWUCJYTK-UHFFFAOYSA-N 301.824 3.447 0 40 DGAB Cc1nnc2n1CCN([C@H](C)c1ccc(C(F)(F)F)cc1)C2 69560222 NLLZVNYBJDRCOK-SNVBAGLBSA-N 310.323 3.182 0 40 DGAB COc1cccc(N2CC[C@@H](CNC(=O)C[C@@H](C)C3CC3)C2)c1 69586949 XASSGDASAQCYNW-CABCVRRESA-N 316.445 3.074 0 40 DGAB CCCOc1cc2oc(=O)c(CC(=O)OC)c(C)c2cc1Cl 5100810 DNHPXNNIEMTIBU-UHFFFAOYSA-N 324.760 3.259 0 40 DGAB CCCSCC(=O)Nc1ccc([C@H](C)N2CCOCC2)cc1 65610242 CSLDYJAWINEQIL-AWEZNQCLSA-N 322.474 3.162 0 40 DGAB COc1cccc(N2CCN(C(=O)c3ccc(C)s3)CC2)c1 5420635 VXTWHRAMCAMORC-UHFFFAOYSA-N 316.426 3.028 0 40 DGAB CCOC(=O)c1cc(C)n(CC(=O)Nc2ccc(C)cc2)c1C 6590042 QQKRGPHBXFQODH-UHFFFAOYSA-N 314.385 3.229 0 40 DGAB O=C(Nc1cccnc1)N1CCC(OC2CCCCC2)CC1 95392988 DOXAQNMMSRGUNB-UHFFFAOYSA-N 303.406 3.427 0 40 DGAB COc1ccc(C)cc1C(=O)NCCc1c[nH]c2ccccc12 8942506 WNFGNJYYSDCQGH-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1-c1cc(C(=O)O)[nH]n1 67172533 NICBEBXIHOSCRH-UHFFFAOYSA-N 303.318 3.346 0 40 DGAB C[C@@H]1CC(C)(C)C[C@@](CO)(NCc2ccc([S@](C)=O)cc2)C1 84686150 HXETXHVJFJPMOE-JVJLVOBOSA-N 323.502 3.091 0 40 DGAB O=C1Nc2ccccc2[C@@H]1[C@@H]1NCCc2c1[nH]c1ccccc21 9041421 YGURMDITZSVQME-AEFFLSMTSA-N 303.365 3.091 0 40 DGAB biogenic COc1ccc(C)c2c1N(C(=O)c1cnc(C)s1)CCC2 67842185 BZSBTQOUFCLIJO-UHFFFAOYSA-N 302.399 3.362 0 40 DGAB O=C(COC(=O)/C=C/c1cccs1)NC1CCCCCC1 7653822 ROEINARMPGSEFP-MDZDMXLPSA-N 307.415 3.144 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@@H]1Cn1cccn1 70039874 NHCGYEJTTFDTSB-CYBMUJFWSA-N 301.415 3.127 0 40 DGAB COc1ccc(C(=O)Nc2ccc(C)cn2)cc1Br 9315675 ZETMMTBLEZZAGD-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB COc1ccccc1[C@H]1NC(=O)NC2=C1CCc1ccccc12 9329881 WFRYGQKUDJVAOK-GOSISDBHSA-N 306.365 3.407 0 40 DGAB COc1cc(F)c(C(=O)N(C)Cc2sccc2C)cc1OC 95413827 PSXIHEXFMWOMTG-UHFFFAOYSA-N 323.389 3.485 0 40 DGAB COCCC1(CNC(=O)Nc2cc(C(C)(C)C)on2)CCC1 96474151 DDWXLMVVAHJTJS-UHFFFAOYSA-N 309.410 3.300 0 40 DGAB CC(=O)N1CCc2cc(C(=O)Nc3ccc4[nH]ccc4c3)ccc21 71903758 QTHCNTFWBUOEBK-UHFFFAOYSA-N 319.364 3.329 0 40 DGAB O=C(CSc1cccs1)Nc1nnc(-c2ccco2)o1 95417528 FZIWQOMEIJWBFN-UHFFFAOYSA-N 307.356 3.122 0 40 DGAB Cc1nnc([C@@H](C)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)o1 97081926 RBYQKXBFUZPKOS-NWDGAFQWSA-N 311.389 3.284 0 40 DGAB CC(C)[C@@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(Cl)cc1F 97081576 JYRNMHMUKVVODP-QMTHXVAHSA-N 324.787 3.145 0 40 DGAB CN1CCCN(C(=O)Nc2ccc3c4c(cccc24)CC3)CC1 97050899 XZZLYJOTCLQDTC-UHFFFAOYSA-N 309.413 3.108 0 40 DGAB COc1cc(CN(C)Cc2cccnc2)cc(Cl)c1OC 97058627 LYIZSCJQMMGVTA-UHFFFAOYSA-N 306.793 3.384 0 40 DGAB CCc1cnc([C@@H](C)NC(=O)N2CCSC(C)(C)C2)s1 89289630 NHRXJQNGZFFCQF-SNVBAGLBSA-N 313.492 3.304 0 40 DGAB COCCC1(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)CCC1 89410064 JULXXQPHWWNXTO-OAHLLOKOSA-N 309.450 3.191 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccco2)nc1C(C)C 89984825 TXXXNSOPYLSTJX-UHFFFAOYSA-N 308.359 3.289 0 40 DGAB COc1cc([C@@H]2NCc3ccccc3-n3cccc32)ccc1O 55211075 XUBFVVAGMSDJMD-IBGZPJMESA-N 306.365 3.384 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1cc(Cl)ccc1N)NCC2 20458218 OZXRBUUEDMBVAR-KRWDZBQOSA-N 318.804 3.175 0 40 DGAB Fc1ccc(CN2CCn3c(-c4cccnc4)cnc3C2)cc1 306143880 YPJLDJMHBXDJBO-UHFFFAOYSA-N 308.360 3.100 0 40 DGAB COc1ccc(C(=S)NCc2ccc(F)cc2)cc1OC 408571857 CWPPBGURVJJYRG-UHFFFAOYSA-N 305.374 3.308 0 40 DGAB CCc1ccccc1NC(=O)NC1CCN(CC(C)C)CC1 43401912 DXQKETITGGGZPS-UHFFFAOYSA-N 303.450 3.491 0 40 DGAB C[C@H](C1CC1)n1cc(NC(=O)c2ccccc2-n2cccn2)cn1 547964522 TUMGDXUFJCDZTC-CYBMUJFWSA-N 321.384 3.292 0 40 DGAB c1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 72389897 PUYIGATWCVSXBF-INIZCTEOSA-N 306.369 3.121 0 40 DGAB CN(Cc1ccncc1)Cc1nc2cc(Cl)ccc2n1C 183748194 LKSBNUWXUPWLRK-UHFFFAOYSA-N 300.793 3.254 0 40 DGAB COc1ccc(CCNC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 33644070 BUZSBYLXSNCQPK-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB Cc1cc(C)n(CCCNC(=O)C(C)(C)c2ccccc2F)n1 79335618 QDQSIDVZPXEBIZ-UHFFFAOYSA-N 317.408 3.123 0 40 DGAB O=C(N=c1[nH]cc[nH]1)c1cn(Cc2ccccc2)c2ccccc12 72402715 CQQCXZGTHKTQED-UHFFFAOYSA-N 316.364 3.087 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c1 42646326 WZAVFMMLPZIWKE-OAHLLOKOSA-N 310.397 3.162 0 40 DGAB Cc1nc(NC(=S)NC(C)(C)C)ccc1Br 223880808 KFPBIGLTVLPYTH-UHFFFAOYSA-N 302.241 3.237 0 40 DGAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@H](C)C2)cn1 225899896 CMFFMXNQPYTPRA-SUMWQHHRSA-N 306.406 3.404 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)CC[C@H]2CCCO2)o1 81345925 GNYYEQPSRMGYGJ-KGLIPLIRSA-N 309.431 3.164 0 40 DGAB C[C@@H](CNC(=O)c1ccc(C(C)(C)C)cc1)CN1CCCC1 40152063 DNQRZYJOJCUNDA-HNNXBMFYSA-N 302.462 3.446 0 40 DGAB CSc1nnc(NC(=O)c2cc(C)nc3ccccc23)s1 46085545 PCDMKGHHCQQIHE-UHFFFAOYSA-N 316.411 3.369 0 40 DGAB Cc1n[nH]c(C)c1CNc1ccc(Cl)c(C[S@@](C)=O)c1 195559056 JLOWLGGBNLMGAX-HXUWFJFHSA-N 311.838 3.171 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)NCc1cccs1 225604196 DJMIFGKYODZKGE-GFCCVEGCSA-N 316.426 3.113 0 40 DGAB Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2)cc1C 224262445 ANMSZSWXORVKCM-UHFFFAOYSA-N 311.389 3.338 0 40 DGAB CCOCc1ccccc1NC(=O)N[C@H]1CCCC[C@H]1OC 96434264 AGYYOXQSAFKDRD-JKSUJKDBSA-N 306.406 3.302 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 96490908 NBWQWTQOMSLRGK-JKSUJKDBSA-N 316.788 3.303 0 40 DGAB CC(=O)NC1CCC(NC2CCC(C(F)(F)F)CC2)CC1 97379283 TWOGGQCOAPOWQH-UHFFFAOYSA-N 306.372 3.144 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)CCCCC[C@H](C)O)C1 585131636 BFDFAOBWXTXKQM-LSDHHAIUSA-N 301.496 3.452 0 40 DGAB C[C@H](CC(=O)N[C@@H]1CCCc2nc[nH]c21)Cc1cccc(F)c1 585122670 XEYCOEILENFKEV-BLLLJJGKSA-N 315.392 3.311 0 40 DGAB CSc1cccc(F)c1C(=O)N[C@H](CO)CCC(C)(C)C 252489881 KEBNBLHGOJBLFD-NSHDSACASA-N 313.438 3.465 0 40 DGAB Cc1noc(C)c1-c1nccc([C@H]2CCCN2C(=O)C(C)C)n1 257295043 QWROCSHJMJUCQH-CQSZACIVSA-N 314.389 3.068 0 40 DGAB O=C(Nc1cccc(Cl)c1)N(CCO)Cc1ccsc1 52121836 RQUQWRBJKJGODN-UHFFFAOYSA-N 310.806 3.428 0 40 DGAB Cc1cc(CNC(=O)c2ccccc2-n2cccc2)oc1C(=O)O 1600202288 CJDBWCWNMVUONT-UHFFFAOYSA-N 324.336 3.007 0 40 DGAB CCOC(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 255188088 INVGHYIDAZKTEC-UHFFFAOYSA-N 323.352 3.263 0 40 DGAB NC(=O)CN(Cc1csc(-c2cccs2)n1)C1CCCC1 47274177 MQGBUBUMRGYSRP-UHFFFAOYSA-N 321.471 3.102 0 40 DGAB COC(=O)c1cc(CN2C[C@H](C)Oc3ccc(Cl)cc32)c[nH]1 97165671 SYFMAMSNHCSMAJ-JTQLQIEISA-N 320.776 3.242 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)CC2CCOCC2)C12CCCCC2 98016452 FBQNQEQFJNKNLL-JKSUJKDBSA-N 309.450 3.047 0 40 DGAB C[C@@]1(C(=O)O)CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 62913822 KONYGFNCLVSTIK-CYBMUJFWSA-N 320.147 3.069 0 40 DGAB C[C@]12CCC(=O)C=C1C(=O)C[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 2557245 PJMNEPMSGCRSRC-VNIGLLLESA-N 300.398 3.266 0 40 DGAB Cc1cc(N2CCC(CC(=O)O)CC2)nc2nn(C(C)C)cc12 12398951 INJXDQSDIKICFH-UHFFFAOYSA-N 316.405 3.012 0 40 DGAB Cc1ccc(SCC(=O)NCCCN2CCCCC2)cc1 13672556 XOWXRGQAJPZQAA-UHFFFAOYSA-N 306.475 3.079 0 40 DGAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC[C@H](N)C[C@H]1C 520723068 JDZBWUVMOAFAAT-INMHGKMJSA-N 318.461 3.224 0 40 DGAB COC(=O)C1(C(=O)C2(Br)CCCCC2)CCCC1 1440404 YGNKTPWIWYYFSA-UHFFFAOYSA-N 317.223 3.387 0 40 DGAB CCOCCn1/c(=N/C(=O)C(C)C)sc2cc(C)ccc21 100873287 UGRRLMZURNMJFY-MSUUIHNZSA-N 306.431 3.131 0 40 DGAB Cn1c(N2CCC(Oc3nccs3)CC2)nc2ccccc21 2086889668 KKCBCHTUHVYPCF-UHFFFAOYSA-N 314.414 3.078 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)/C=C/c3ccco3)CC2)o1 44098500 VMKXYGPJMFGBSP-AATRIKPKSA-N 315.373 3.205 0 40 DGAB CC(C)NC(=O)[C@]1(Cc2cccc(-c3ccccc3)c2)CCNC1 72391934 KJKDXFWYJNLYSN-NRFANRHFSA-N 322.452 3.400 0 40 DGAB Cc1nnc2c(Cl)nc3ccc(C(=O)c4ccccc4)cc3n12 20058973 YKAIYNRJLZZYHP-UHFFFAOYSA-N 322.755 3.470 0 40 DGAB Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)Nc1nncs1 40141670 QEFOTIGOYIDSJN-LLVKDONJSA-N 305.403 3.376 0 40 DGAB CN(Cc1ccco1)C(=O)[C@@H]1COc2ccc(Cl)cc2C1 51866429 CDRPRFMKCILOCZ-LBPRGKRZSA-N 305.761 3.143 0 40 DGAB O=C(CCC(=O)c1ccccc1)Nc1nnc(C2CC2)s1 21291692 NOYMJUOLFLNYEX-UHFFFAOYSA-N 301.371 3.017 0 40 DGAB C/C=C/C=C/C(=O)Nc1ccc(C(=O)NCC(F)(F)F)cc1 32776608 ZQKDDRKZZIYOFK-MQQKCMAXSA-N 312.291 3.050 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)cc1 102211640 CHEXVYIUURWCFG-TYNCELHUSA-N 323.820 3.438 0 40 DGAB CC(C)COc1ccc(-c2nonc2NC(=O)C(C)C)cc1 11915552 OMGDWWHGEACIJU-UHFFFAOYSA-N 303.362 3.366 0 40 DGAB CC(C)=CC(=O)Nc1cc2c(cc1Br)OCCO2 37143507 XQQUYYHOIAPINA-UHFFFAOYSA-N 312.163 3.125 0 40 DGAB Cc1cc(Cl)ccc1Nc1nc(N(C)C)nc2c1cnn2C 21873473 RUHILBOMJKEGDI-UHFFFAOYSA-N 316.796 3.135 0 40 DGAB COc1ccc(CC(=O)Nc2noc(-c3ccc(C)cc3)n2)cc1 21800596 BLPOLFZGZKBGBQ-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB Cc1nc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn2n1 540035 HYWBMCYSCSQERF-UHFFFAOYSA-N 319.155 3.078 0 40 DGAB CCOC(=O)CSCC(=O)Nc1ccc(Cl)c(Cl)c1 6206199 WJCUZUSEYMXRDH-UHFFFAOYSA-N 322.213 3.228 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1OC 6207855 QLICGBNLDSJTTR-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(Cl)c1C 7402848 RUNRZOAZZXRNIM-UHFFFAOYSA-N 300.767 3.054 0 40 DGAB O=C(O)Cc1cnn(-c2cccc(Cl)c2)c1C(F)(F)F 52514897 ZQDSHRQPIBWDGG-UHFFFAOYSA-N 304.655 3.172 0 40 DGAB CCN(Cc1ccc(CN(C)C)cc1)C(=O)/C=C(\C)C1CC1 103867888 WOGUHXYSPUZWAM-NTCAYCPXSA-N 300.446 3.453 0 40 DGAB Cc1cccn2s/c(=N/C(=O)c3ccc(Cl)cc3)nc12 12463154 VOWVDJNPUHBAIZ-SAPNQHFASA-N 303.774 3.099 0 40 DGAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccccc2C)c1 29505243 ZXCKKCGTDHZLCG-UHFFFAOYSA-N 318.398 3.009 0 40 DGAB Cc1cc(NC(=O)CNc2ccccc2N2CCCCC2)on1 24231185 IHINNJBNJZWCQF-UHFFFAOYSA-N 314.389 3.024 0 40 DGAB CC[C@H](C)Nc1nc(Cl)nc(NCCOc2ccccc2)n1 3066435 HBRNAWQGTBFUMO-NSHDSACASA-N 321.812 3.226 0 40 DGAB CCc1cccc(Oc2ccc(NC(=O)c3cnccn3)cn2)c1 44788778 POUVCFDVOZHKRJ-UHFFFAOYSA-N 320.352 3.479 0 40 DGAB CCOc1cc2c(cc1NC(=O)c1scnc1C)O[C@H](C)C2 58161424 OWYVMWOCUKKEIX-SECBINFHSA-N 318.398 3.426 0 40 DGAB COc1ccc(CNC(=O)c2cc(Cl)cc(Cl)c2)cn1 10990499 AHBDMRCVAFOBDZ-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB CCc1nnc(NC(=O)Cc2ccc(-n3cccc3)cc2)s1 36752861 XSRWXHGYBACDPY-UHFFFAOYSA-N 312.398 3.072 0 40 DGAB CC(C)c1nc(C(=O)O)nn1-c1c(Cl)cccc1Cl 36879778 MJHINSZPNGBKAQ-UHFFFAOYSA-N 300.145 3.396 0 40 DGAB in-vitro O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1ccccn1 22087884 SWLRFVTXEDJWPK-UHFFFAOYSA-N 304.353 3.008 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)NC(C1CC1)C1CC1 29383752 AATJFLBSSVHXAV-UHFFFAOYSA-N 313.426 3.432 0 40 DGAB Cc1cccc(-c2noc(CN(C[C@H]3CCOC3)C3CC3)n2)c1 46091801 KZQRFFGJWPZWKU-CQSZACIVSA-N 313.401 3.046 0 40 DGAB CC[C@@H](NCc1ccccc1)c1ccccc1OCC(=O)NC 48749801 CBULMKWRNDLSRG-QGZVFWFLSA-N 312.413 3.052 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C)c1ncnc2c1cnn2C 13012195 JNYGCUZZVGBGGW-SNVBAGLBSA-N 301.781 3.214 0 40 DGAB COc1cc2ncnc(Nc3ccc(N(C)C)cc3)c2cc1OC 4342385 BUSRVSDLBRSEPD-UHFFFAOYSA-N 324.384 3.457 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[C@H]1C=CCC1 39978498 PSOFHUJUFDBTGW-AWEZNQCLSA-N 301.386 3.163 0 40 DGAB Nc1ccc(-c2nc(CCNc3ccc(Cl)cc3)n[nH]2)cc1 62719074 RTWLASLIFLPUCC-UHFFFAOYSA-N 313.792 3.362 0 40 DGAB CCc1noc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 41122349 GQLWFCJDQIFUFP-LLVKDONJSA-N 305.403 3.022 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccco1)c1cccc2ccccc12 6640088 NBJCEJFMSLIDSR-MRXNPFEDSA-N 323.348 3.467 0 40 DGAB Oc1c(Cl)cc(I)c2c1NCCC2 4772613 SZNAXHMJOHLIFW-UHFFFAOYSA-N 309.534 3.008 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)s1 5666415 FHJWZBJUZHZZFS-JTQLQIEISA-N 314.366 3.211 0 40 DGAB CSc1nc(C(=O)Nc2cnn(C(C)C)c2)c2ccccn12 66386460 YBTOEYYPZJZBRI-UHFFFAOYSA-N 315.402 3.086 0 40 DGAB CC(C)(CC(=O)N[C@H]1CCN2CCCC[C@H]12)c1ccccc1 67165098 AYHIUIRSTMKVHO-DLBZAZTESA-N 300.446 3.097 0 40 DGAB c1ccc([C@@H]2CCN(CCc3ccc4c(c3)OCCO4)C2)cc1 67340289 UXKGSENQLRTHPU-GOSISDBHSA-N 309.409 3.490 0 40 DGAB CN1C(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccc21 9340643 JSYQASFYARNRNE-ANCGMVAHSA-N 324.424 3.037 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)/C=C/c1cn(Cc2ccccc2)nn1 7957253 ULYZGDSKYVHTRM-ZKIBYTKZSA-N 324.428 3.035 0 40 DGAB C[C@H](NCC1CCN(C[C@@H](C)O)CC1)c1ccccc1Cl 69493318 YBUXWZPSBLVCSU-KGLIPLIRSA-N 310.869 3.083 0 40 DGAB CCSc1ncc(Cl)c(C(=O)Nc2ncccc2C)n1 9423067 LISSGJBGXGWCBN-UHFFFAOYSA-N 308.794 3.198 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)c1 69628962 QSALTYOOLSWKMU-KRWDZBQOSA-N 323.396 3.290 0 40 DGAB CCN(C(=O)[C@H]1CC(=O)Nc2ccccc21)c1ccccc1C 71796201 AUBLKWHSKIIIEB-HNNXBMFYSA-N 308.381 3.474 0 40 DGAB Cc1cccn2cc(CNC(=O)CSc3ccccc3)nc12 71893159 RHPBKHHIZQEFFD-UHFFFAOYSA-N 311.410 3.051 0 40 DGAB c1ccc(Cc2nnc(N3CC[C@@H]4OCCC[C@@H]4C3)s2)cc1 97086019 UVHTZHBLLALPPK-CABCVRRESA-N 315.442 3.134 0 40 DGAB Cn1cc(CN2CCC(n3cccn3)CC2)c(-c2ccccc2)n1 97033876 ZJEWKOFRBUAQOE-UHFFFAOYSA-N 321.428 3.121 0 40 DGAB Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc(C)cs2)cn1 72273848 XDZJZBZZQTXNJF-HNNXBMFYSA-N 315.442 3.451 0 40 DGAB CSC[C@H](C)NC1C[C@@H]2CC[C@H](C1)N2C(=O)OC(C)(C)C 97234061 PMYWTZXRZFIFIO-FUDCBSFHSA-N 314.495 3.258 0 40 DGAB CCO[C@H]1C[C@@H](N(C)c2ccc(C(F)(F)F)nn2)C1(C)C 95981591 IKNCVAZLUSKNTC-MNOVXSKESA-N 303.328 3.135 0 40 DGAB CC(C)[C@H]1C[C@@H](CNc2cccc(-c3nc[nH]n3)c2)CCO1 95994936 RXLQMUGXJXNVAG-XJKSGUPXSA-N 300.406 3.335 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c(C)s1 89582370 PSSFGIFBBDQHAT-MNOVXSKESA-N 306.435 3.220 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NCc1cnn2ccccc12 75584083 SVWVUFFKVXOPTA-MRXNPFEDSA-N 323.444 3.453 0 40 DGAB Cc1ccc([C@@H](O)CN[C@H](C)CC(=O)Nc2ccccc2)cc1 75572715 MVYIVVBGOJMVDA-QAPCUYQASA-N 312.413 3.035 0 40 DGAB CC(C)c1n[nH]c(CNC(=O)Cc2cc3ccccc3s2)n1 519625558 BMBXEWFBOOZFON-UHFFFAOYSA-N 314.414 3.002 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc2c(c1)CCC[C@]21COCCN1 306146011 ZHCFQGHTGJMPNR-SFHVURJKSA-N 318.417 3.185 0 40 DGAB O=C(C1CCCC1)N1CCC[C@H](c2cccc(-n3ccnc3)n2)C1 72378506 CQZHVRLOKMSMCW-INIZCTEOSA-N 324.428 3.164 0 40 DGAB CCn1c(SCc2cccc(C(=O)O)c2)nnc1C(C)C 20034379 WWTCLHSODJLEFK-UHFFFAOYSA-N 305.403 3.412 0 40 DGAB O=C(NCCc1cccc(F)c1)c1csc(-n2cccc2)n1 79476221 ZPPGLROYZBXWNU-UHFFFAOYSA-N 315.373 3.045 0 40 DGAB C[C@H](NC(=O)c1cccc(C[S@@](C)=O)c1)c1ccccc1 32853822 GHSFRSRCWMRADU-ZSEKCTLFSA-N 301.411 3.056 0 40 DGAB O=C(O)c1nn(Cc2ccccc2Cl)cc1Br 72115354 DPICVSQRULKPPV-UHFFFAOYSA-N 315.554 3.046 0 40 DGAB Clc1ccc2c(N3CCN(C4CCCC4)CC3)ncnc2c1 32779329 OFLMPMCJUKHVCJ-UHFFFAOYSA-N 316.836 3.348 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H]2CC(c3ccccc3)=NO2)cc1 33145084 PIDOADIIMORDBI-KRWDZBQOSA-N 308.337 3.021 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCC[C@@H](O)c1ccccc1 72242732 SLUGYFYQWOCABY-OAHLLOKOSA-N 319.788 3.202 0 40 DGAB Cc1ccncc1NCc1c[nH]nc1-c1ccc2c(c1)OCCO2 184891842 MEZULGMLCWUDCA-UHFFFAOYSA-N 322.368 3.163 0 40 DGAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1c(F)cccc1Cl 40286034 POYCKBAKVBLREV-DOTOQJQBSA-N 316.763 3.404 0 40 DGAB Fc1cc(F)cc(-n2ncc3c(Cl)nc(Cl)nc32)c1 228946488 JCKZAQOPMXNIJY-UHFFFAOYSA-N 301.083 3.401 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C)c1 222942186 ROXQEFRSHVWGLP-HZPDHXFCSA-N 314.458 3.049 0 40 DGAB CCCCc1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 41122504 KDNMKQWSQKFYSU-CQSZACIVSA-N 305.422 3.308 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@@H]2[C@H]2CCCOC2)cc1 576584308 CKPGKHKKUTYHTG-FUHWJXTLSA-N 311.429 3.468 0 40 DGAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCC[C@H]1C 226852905 VBJBCAKYLQHYEK-CABCVRRESA-N 313.401 3.041 0 40 DGAB COc1cccc(C(=O)NC(C)(C)Cc2ccccc2)c1OC 225050882 YMYBISYFKPDPGJ-UHFFFAOYSA-N 313.397 3.455 0 40 DGAB O=C(NC[C@H](O)c1csc2ccccc12)c1ccsc1 225691769 WVQJLENEUUEVHK-ZDUSSCGKSA-N 303.408 3.426 0 40 DGAB Cc1nc(CS(=O)(=O)CCCc2ccccc2)sc1C 86995529 FVHXIUNGBOZSOK-UHFFFAOYSA-N 309.456 3.308 0 40 DGAB CCCc1occc1C(=O)N[C@@H]1CCC[C@@H]([S@](=O)CC)C1 333973242 BSHTUSVBDHQAHH-SQHYZVFZSA-N 311.447 3.042 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96456055 WABXYOCMXSEWGK-HZPDHXFCSA-N 320.458 3.439 0 40 DGAB c1cc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)co1 96039801 IIGWTLYDUWSVMC-ZWKOTPCHSA-N 305.418 3.077 0 40 DGAB COc1ccc(N[C@@H](C)c2cccc(C)c2)cc1OCC(N)=O 96436994 LGHNWNHGFFLIKR-ZDUSSCGKSA-N 314.385 3.041 0 40 DGAB Fc1cc(F)cc(CNCc2ccn(CC(F)(F)F)n2)c1 256053245 QRFSDPSSXLEWMU-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3cccs3)C2)n1 257199587 AAAJLDMBFADSRZ-ZDUSSCGKSA-N 315.442 3.147 0 40 DGAB CCc1ncsc1NC(=O)[C@H]1CCC(=O)c2ccccc21 285306491 PCNMSBDBRSANAJ-LBPRGKRZSA-N 300.383 3.404 0 40 DGAB CCCCCC(=O)N1CCC(C(=O)OC)(c2ccccc2)CC1 55457449 CPNYKULYZJOTJI-UHFFFAOYSA-N 317.429 3.300 0 40 DGAB CC[C@H](C)N(C)CCNC(=O)Nc1nc2ccccc2s1 58306655 BMUBHZYZHWAUHR-NSHDSACASA-N 306.435 3.148 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)c(C)c1 585234413 QJOOMSTVBVXCPP-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB O=S(=O)(NC1CCCCC1)c1ccccc1C(F)(F)F 8324933 NZTLRJHNHXJQRX-UHFFFAOYSA-N 307.337 3.316 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2ccccc2OC)c1C 13670961 AJTDSMQXXZOIER-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB NC(=O)c1ccc(COC(=O)c2cccc(C(F)(F)F)c2)cc1 16744210 NRQHRGXDPDGTOA-UHFFFAOYSA-N 323.270 3.161 0 40 DGAB Cc1ccccc1CN1CCC[C@@H](c2n[nH]c3nccnc23)C1 19237180 KWLSPJILJZGTKJ-OAHLLOKOSA-N 307.401 3.041 0 40 DGAB CC(C)(C)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 8959208 WKYCJBLORHYLRC-UHFFFAOYSA-N 304.390 3.418 0 40 DGAB CC1(C)CCC[C@@]2(C)[C@@H]3CC[C@@H]4C[C@]3(C[C@@]4(O)CO)C(=O)C[C@H]12 247999280 CNEAFYADRZPYEP-HUGJHKJRSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro Cc1c(C(=O)Nc2ccccc2F)nnn1-c1ccc(F)cc1 2698850 OOBNENDHHRWMOS-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB C[C@H]1CCc2sc(NC(=O)c3cccs3)c(C(N)=O)c2C1 4071926 MEYYTWBITOXQFG-QMMMGPOBSA-N 320.439 3.286 0 40 DGAB CCOc1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4276194 RFFIDQXUTLGFQZ-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB CC(=O)NCc1nc2ccccc2n1Cc1ccccc1Cl 6752642 STELDOCFKQRYKT-UHFFFAOYSA-N 313.788 3.374 0 40 DGAB CN(C)[C@H](CNC(=O)CCc1ccccc1)c1ccc(F)cc1 10329593 ZFXNEZFQKIZDIF-GOSISDBHSA-N 314.404 3.177 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2C)cc1 21319057 RGCPQZRBIFUPAJ-UHFFFAOYSA-N 323.440 3.308 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)Cc1cccc(C(F)(F)F)c1 30945981 OQSWFVDOTVUXAR-UHFFFAOYSA-N 311.307 3.237 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NC[C@H](c1ccco1)N(C)C 40487712 NDIGOTOELCRVHF-CHWSQXEVSA-N 321.446 3.346 0 40 DGAB CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@H]3C(=O)OCC 104463 DKFCHNMEFGQKMQ-CYBMUJFWSA-N 315.369 3.328 0 40 DGAB COc1ccccc1C(=O)Nc1cccc(Cn2cccn2)c1 31968866 SGICFKRTKIKBMP-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CCOc1ccc(C(=O)Oc2cc(=O)oc3ccccc23)cc1 206608 UYBVFCCVLFONGG-UHFFFAOYSA-N 310.305 3.411 0 40 DGAB biogenic Cc1nnc(OC(C)C)c2nn(-c3ccccc3F)c(C)c12 383431 LWBCODNTIUIIAA-UHFFFAOYSA-N 300.337 3.359 0 40 DGAB CC(C)COc1ccc([C@H]2SCC(=O)Nc3n[nH]cc32)cc1 20715767 JJBXUCJESBTSEW-OAHLLOKOSA-N 317.414 3.219 0 40 DGAB CC(C)c1n[nH]c(SCc2nccn2Cc2ccccc2)n1 32778944 HZSAPPYLWRMAND-UHFFFAOYSA-N 313.430 3.465 0 40 DGAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1Cl 102232173 PQSQLOYLDOQRNY-ZNIXKSQXSA-N 305.761 3.110 0 40 DGAB Cc1cc(COC(=O)C2=Cc3cc(Cl)ccc3OC2)on1 32836033 RDIKGKRHFZAHAR-UHFFFAOYSA-N 305.717 3.156 0 40 DGAB Cc1ccc(S(=O)(=O)c2ccc(Cn3ccnc3)cc2)cc1 29711540 GGTHYLCRRJQXHW-UHFFFAOYSA-N 312.394 3.073 0 40 DGAB CCCCNC(=O)N[C@@H](C)c1cnn(-c2ccc(F)cc2)c1C 29723199 KAWVUSCHKBTSJW-LBPRGKRZSA-N 318.396 3.480 0 40 DGAB O=C(CCCc1ccccc1)NCCc1nc2ccccc2[nH]1 46568083 NITZUYJXJFLYFC-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB O=C(CCc1ccccn1)NC[C@@H]1C[C@]12CCc1ccccc12 87413456 MHDXMRCZSIWUJO-OXJNMPFZSA-N 306.409 3.035 0 40 DGAB Cc1ccc(-c2nnc(SCCN3CCCCC3)n2C)cc1 410805 UGRAYQNMRHUQBT-UHFFFAOYSA-N 316.474 3.369 0 40 DGAB COC(=O)[C@@]1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3 1645349 BJPDQRNMKBWSCQ-NRFANRHFSA-N 320.388 3.316 0 40 DGAB O=C(CCCC1CCCCC1)N1CC[C@@](O)(C(F)(F)F)C1 78025768 ZTZJPXLOSRBAFV-AWEZNQCLSA-N 307.356 3.263 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1Cl 78898181 JIYOVAYKOHNFAO-BLLLJJGKSA-N 306.837 3.077 0 40 DGAB CCn1nc(C)c2c(C(=O)OC)cc(-c3cccs3)nc21 2732412 JJCSIWOSJSDEDO-UHFFFAOYSA-N 301.371 3.275 0 40 DGAB COc1cc([C@@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 4027178 JVGXICUTXHMMNN-LOJOQKOYSA-N 318.413 3.299 0 40 DGAB biogenic C[C@H]1CC=CC[C@H]1C(=O)OCCOC(=O)[C@H]1CC=CC[C@H]1C 4782994 LHLCITNAENHCAB-SYMSYNOKSA-N 306.402 3.277 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)CCCc1ccccc1 4852002 GOTFVPYAXXDSIS-UHFFFAOYSA-N 322.364 3.493 0 40 DGAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 7213231 HQIJGIQJEVPHFM-CQSZACIVSA-N 318.735 3.223 0 40 DGAB Cc1cc(=O)c2c(Br)ccc(Br)c2[nH]1 8628669 PIJPTJDIZXLKTJ-UHFFFAOYSA-N 316.980 3.362 0 40 DGAB COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCO3)c(OC)c1 42202997 GJGWFWJXJYXODJ-LBPRGKRZSA-N 315.369 3.283 0 40 DGAB CCCC(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 61341407 MZVVABWZKAPLDE-UHFFFAOYSA-N 320.396 3.351 0 40 DGAB CSc1ccc(Cl)c(C(=O)N[C@H](C)Cn2ccnc2)c1 42511876 WOOOWUSIGLYQEP-SNVBAGLBSA-N 309.822 3.077 0 40 DGAB COCCOCc1cccc(NC(=O)N2CCCCCC2)c1 47589877 ROEOHWOMWVRHRB-UHFFFAOYSA-N 306.406 3.258 0 40 DGAB Cn1cc(C(=O)OCc2ncc(-c3ccc(Cl)cc3)o2)cn1 25119259 ZBBPGAUVTPJBHP-UHFFFAOYSA-N 317.732 3.086 0 40 DGAB CC1=NN2[C@H](C1)c1ccccc1O[C@]21C(=O)Nc2ccccc21 1424714 IZQJQGFPFAKZIU-CRAIPNDOSA-N 305.337 3.007 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(C#N)cc1 26134827 AYQKBIXVCSPYAO-GFCCVEGCSA-N 318.332 3.156 0 40 DGAB O=C(Nc1nccs1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 57197508 PEINLQPMLNBPGW-OLZOCXBDSA-N 321.377 3.324 0 40 DGAB O=C(CCC(=O)c1ccc(F)cc1)OCC(=O)c1ccccc1 3240602 ZITAMORFVNFBTA-UHFFFAOYSA-N 314.312 3.215 0 40 DGAB CCCCCC[C@@H]1C[C@@](C)(C(=O)CNc2ccccn2)OC1=O 1901956 PDPLZGMSPMHKOY-KDOFPFPSSA-N 318.417 3.355 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2sc(C)nc2C)cc1 10143080 GGFXRMIVISMZHP-NSHDSACASA-N 303.383 3.497 0 40 DGAB COc1cccc([C@H](Nc2nc(C)cc(C)n2)c2nccn2C)c1 24055307 MTPUBFFNCLSDOK-INIZCTEOSA-N 323.400 3.037 0 40 DGAB CCOCCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1 2179276 FFBAETHFNLKQDN-NSHDSACASA-N 301.839 3.363 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 44913434 XBQVCAXJRHPSEG-GJZGRUSLSA-N 314.433 3.024 0 40 DGAB Cc1cc(C(=O)NCc2nc(-c3ccccc3)c(C)s2)on1 58317023 JMCGLJQPHDTETQ-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(-c3nnco3)ccc2C)cn1 58327894 HKDPTKUTTMUUKI-UHFFFAOYSA-N 324.340 3.091 0 40 DGAB Cc1oc(C)c(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)c1C 28011330 KJSLGGDHKICOSV-LBPRGKRZSA-N 324.384 3.277 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C)cs2)c1C 12602017 ZOEOEIGZCSWBTJ-UHFFFAOYSA-N 324.427 3.158 0 40 DGAB CCNC(=O)c1ccc(NC(=O)NCc2cccs2)c(C)c1 48109008 WBLYZPTZKAGEHU-UHFFFAOYSA-N 317.414 3.128 0 40 DGAB O=C(CSCc1ccccn1)NC12CC3CC(CC(C3)C1)C2 48224224 MQPVQWASYQEQDH-UHFFFAOYSA-N 316.470 3.400 0 40 DGAB O[C@H](COc1ccc2ccccc2c1)CSc1nncs1 11676329 NASIUIITHXKRLL-CYBMUJFWSA-N 318.423 3.223 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2cccc3ccccc23)no1 46116278 KQEBRKPPWOQCTG-UHFFFAOYSA-N 301.367 3.251 0 40 DGAB CCC(C)(C)NC(=O)CN(C1CC1)[C@H]1CCc2ccccc21 60168221 LACHYSGQDXYGJG-KRWDZBQOSA-N 300.446 3.443 0 40 DGAB Cc1oc(-c2ccccc2)nc1CSCC(=O)NC(C)C 12915630 XZXHWCDKHPWKIY-UHFFFAOYSA-N 304.415 3.408 0 40 DGAB Cc1cc(NC(=O)Cc2ccc(Cl)cc2)cc(C(=O)O)c1O 20137132 PVSABDNQWCWYIT-UHFFFAOYSA-N 319.744 3.233 0 40 DGAB O=C(C[C@@H](NCc1cccs1)C(=O)O)c1ccc(Cl)cc1 6251580 OJEQASZBWFPBMY-CYBMUJFWSA-N 323.801 3.217 0 40 DGAB COc1cc(C)c(NC(=O)c2cc(Cl)ccn2)cc1OC 5269675 FZBVNCAOYSRCAY-UHFFFAOYSA-N 306.749 3.313 0 40 DGAB COc1ccc(COC(=O)c2ccc3nccnc3c2)cc1F 5420678 TXNYIOUMSVFJAL-UHFFFAOYSA-N 312.300 3.135 0 40 DGAB O=C(C[C@@H]1NC(=O)c2ccccc21)Nc1cccc(Cl)c1 5422338 SRKJUXWVCMWPSR-AWEZNQCLSA-N 300.745 3.153 0 40 DGAB O=C1NCCCN1c1cccc(Nc2nc(C3CC3)ns2)c1 92658208 WJNUPLISGFYZQD-UHFFFAOYSA-N 315.402 3.079 0 40 DGAB Cc1ccc(NC(=O)C[S@](=O)C/C=C/c2ccccc2)cc1 66294158 NTRRLMNEKOZTGV-PABBZOGXSA-N 313.422 3.396 0 40 DGAB CC1CCN(C2CCN(C(=O)c3ccccc3F)CC2)CC1 4703417 FLKSSJHSTLQJMJ-UHFFFAOYSA-N 304.409 3.162 0 40 DGAB COc1ccc(OC)c(NC(=O)CCOc2ccccc2F)c1 5862319 ILJNAHFYMOZACA-UHFFFAOYSA-N 319.332 3.251 0 40 DGAB CCC(CC)C(=O)NC1CCC(NC(=O)C(CC)CC)CC1 5917398 VUHAIXWVVHJLTB-UHFFFAOYSA-N 310.482 3.402 0 40 DGAB COc1cc(C(=O)NCCCn2cnc3ccccc32)ccc1C 7256664 XUDBFBASZRMFDV-UHFFFAOYSA-N 323.396 3.173 0 40 DGAB COCCn1cnc2scc(-c3ccc(Cl)cc3)c2c1=O 15670852 QFCWLRUSCOGWTE-UHFFFAOYSA-N 320.801 3.425 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)no1 67888467 SBAIATVZOWDYQZ-GFCCVEGCSA-N 319.792 3.305 0 40 DGAB CC1CCN([C@H](CNC(=O)c2ccccc2)c2ccco2)CC1 15860054 QTZXADYSOWFYOY-QGZVFWFLSA-N 312.413 3.483 0 40 DGAB CC(=O)c1ccccc1C(=O)NCc1ccccc1-n1ccnc1 91212327 PKMGJPFBIXSIIM-UHFFFAOYSA-N 319.364 3.005 0 40 DGAB CCNC(=O)[C@H](C)Nc1nc(-c2ccccc2)nc2ccccc12 9313625 KVHICSVVQHTUEK-ZDUSSCGKSA-N 320.396 3.233 0 40 DGAB O=C1CCCc2cc(NC(=O)NC3CCCCC3)ccc2N1 71799369 HOYSAXWLXNGRQA-UHFFFAOYSA-N 301.390 3.416 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CC(C2CC2)C2CC2)n1 71870248 BQZRSLKDGWIFFX-QGZVFWFLSA-N 315.461 3.317 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@H](C1CCCC1)C(F)(F)F 97377953 QEJBXQMUNMOPIL-GFCCVEGCSA-N 319.327 3.212 0 40 DGAB Cn1nccc1[C@@H]1CCCN(CCCc2nc3ccccc3o2)C1 72272645 UOWWPFDAKOURON-OAHLLOKOSA-N 324.428 3.374 0 40 DGAB CCNCc1ccccc1NC(=O)c1cccc(-n2cccn2)c1 95971508 LEAPVJPWAADEIQ-UHFFFAOYSA-N 320.396 3.234 0 40 DGAB CCCCn1ncc(I)c1COCCC 408715697 COGVNTUQQKJMCE-UHFFFAOYSA-N 322.190 3.214 0 40 DGAB Cc1cccc(CN(Cc2ccon2)Cc2cccc(C)n2)n1 85904618 WENNQLKIPQXEQL-UHFFFAOYSA-N 308.385 3.284 0 40 DGAB Cc1ccc(Oc2ccc(N[C@@H](C)C(=O)NC3CC3)cc2)nc1 89652314 MOYSAGLVZLCXTA-ZDUSSCGKSA-N 311.385 3.261 0 40 DGAB CC1(NC(=O)COc2ccc(Br)cc2F)CCC1 89919239 HXIGQTQJNGGEMF-UHFFFAOYSA-N 316.170 3.026 0 40 DGAB COc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2C)C1=O 36635407 SIHAJQLFIZICTA-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB CC(C)N(C(=O)[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1)C1CC1 75198001 LIQOYYZWVUUFTJ-OLZOCXBDSA-N 310.438 3.079 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCCC[C@@H]2C)cc1C 72414607 LLTYHTQZABLXDQ-AWEZNQCLSA-N 311.447 3.265 0 40 DGAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)CCc1ccccc1C(=O)O 539681953 HNIBCOTUVFSQMM-DJJJIMSYSA-N 323.392 3.367 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nnc(-c3ccccc3)o2)cc1 215866805 AIGHKINLKSVLSZ-FMIVXFBMSA-N 321.336 3.397 0 40 DGAB CCOc1ncccc1CNC(=O)CCc1ccc(F)c(F)c1 32816628 COKUGDNQWFIMGS-UHFFFAOYSA-N 320.339 3.008 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)N3CCCCCC3)c2c1 225756718 RGWSRHQSLPKHTI-UHFFFAOYSA-N 312.413 3.021 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225467061 DUZRVZHPHQQZLC-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB Cn1ccnc1CNc1cccc(Cl)c1Br 190089940 JVHSUWQCJLAPDJ-UHFFFAOYSA-N 300.587 3.448 0 40 DGAB O=C(NCCc1ccc(O)cc1)[C@H](c1ccccc1)n1cccc1 575443022 DGAONCOHJMUKCI-IBGZPJMESA-N 320.392 3.142 0 40 DGAB O=C(O)C[C@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1 225232208 JULMGOHWKLZHJA-AWEZNQCLSA-N 318.373 3.328 0 40 DGAB COc1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 44443085 RJTVCKXDIGQRQF-SFHVURJKSA-N 311.381 3.268 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C1 96455147 SKYVATVIXRAFBJ-GBJTYRQASA-N 314.495 3.021 0 40 DGAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1cscn1 96476846 PAYOMHOZCPVCFQ-NSHDSACASA-N 300.305 3.047 0 40 DGAB Cc1cnc2cc(Br)c(Br)cc2n1 98175263 HOHZEYMLWWYISG-UHFFFAOYSA-N 301.969 3.463 0 40 DGAB CCc1ccc(-c2csc3nc(CCC(=O)O)nn23)cc1 95095790 HHOBONWBYIVFRM-UHFFFAOYSA-N 301.371 3.037 0 40 DGAB CS(=O)(=O)CCCCN(c1ccc(F)cc1)C1CCCC1 96469895 HRYHQSAGBMJLOR-UHFFFAOYSA-N 313.438 3.400 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)Nc1nc(C2CC2)n[nH]1 95476194 OZJYRFULWUAOKK-UHFFFAOYSA-N 309.373 3.125 0 40 DGAB C[C@@H]1CN(CCC2CCN(CCC(F)(F)F)CC2)C[C@@H](C)O1 96455935 WLRKIMFQKLSMGH-ZIAGYGMSSA-N 322.415 3.150 0 40 DGAB CC(=O)N1[C@@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCCC[C@@H]13)N2 257307953 TUWFRKSYMJTDFC-FSGKZVOOSA-N 312.457 3.139 0 40 DGAB Cc1nc2c(NC(=O)CSC[C@@H]3CCCCO3)cccc2o1 585124702 NWQAUOLQIMSSDB-LBPRGKRZSA-N 320.414 3.377 0 40 DGAB Cc1cc(CC2CCN(C(=O)c3scnc3C)CC2)ccn1 257324393 WOMUBJJDKRQTCJ-UHFFFAOYSA-N 315.442 3.250 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)c[nH]1 257309368 UAQYGNRWXQMOLS-CQSZACIVSA-N 301.438 3.163 0 40 DGAB COC(=O)N1CCc2ccc(NC(=O)[C@H]3CC=CCC3)cc2C1 96096280 JVVJHTLECQKRHH-AWEZNQCLSA-N 314.385 3.106 0 40 DGAB CC[C@H](C)n1ncc(NC(=O)N2C[C@H](C)OC(C)(C)C2)c1C 390833676 LIAPWPCHNYRWNO-RYUDHWBXSA-N 308.426 3.194 0 40 DGAB CC1CCN(Cc2cccc(CNC(=O)c3ccoc3)c2)CC1 58178652 WNPFUDHWKSLZPR-UHFFFAOYSA-N 312.413 3.442 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1cc(Br)ccc1Cl 1083806348 LHXQBGDHULMXHE-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB CCc1cnc(OC2CCN(c3nc4ccccc4o3)CC2)nc1 1775970329 BXMACHYCEHAZAX-UHFFFAOYSA-N 324.384 3.228 0 40 DGAB N[C@@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 1772714735 OJCHACUSRJFHOJ-MRVPVSSYSA-N 315.213 3.069 0 40 DGAB CCSc1nnc([C@@H]2CCC(=O)N2Cc2ccccc2)o1 5760286 TZKXOEXSJMFVLA-LBPRGKRZSA-N 303.387 3.045 0 40 DGAB Cc1cccn2cc(Cn3cnc4cc(Cl)ccc4c3=O)nc12 12539042 DWZYVOJMYXUIIU-UHFFFAOYSA-N 324.771 3.054 0 40 DGAB CCc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2C)cc1 13169836 HWEFLNWSNQCEED-UHFFFAOYSA-N 313.353 3.273 0 40 DGAB CCOC(=O)Nc1nc2ccccc2n1CN1CCCCC1 13212257 RFGFBWWAWKBMDP-UHFFFAOYSA-N 302.378 3.048 0 40 DGAB CC(C)c1ccc([C@H]2CC(=O)C[C@H](Nc3nonc3N)C2)cc1 19974013 WNICXMLXSSQAHX-ZIAGYGMSSA-N 314.389 3.093 0 40 DGAB COc1ccc(-c2nc3sccn3c2/C=C/C(=O)O)cc1 2510963 KJNJHBRRZFAWIY-VOTSOKGWSA-N 300.339 3.169 0 40 DGAB CC(=O)Nc1ccc(CC(=O)OCc2ccc(F)cc2)cc1 17118707 LHESPSOPHLPMQB-UHFFFAOYSA-N 301.317 3.070 0 40 DGAB Cc1cc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)ncn1 1889151751 STVOXEDVOPKLNQ-UHFFFAOYSA-N 321.428 3.494 0 40 DGAB Cc1cc(OC2CN(C(=O)c3cc4ccccc4o3)C2)ccn1 1889214020 FCQSMYNNMFVTCC-UHFFFAOYSA-N 308.337 3.040 0 40 DGAB O=C(Nc1ccc(F)cc1)c1ccc(=O)n(Cc2ccccc2)c1 7573717 WHZKNTUGAOKFFG-UHFFFAOYSA-N 322.339 3.288 0 40 DGAB O=C(c1ccccn1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970194 GIYLLKOWBMUPHT-UHFFFAOYSA-N 318.380 3.006 0 40 DGAB C[C@@H](Cc1cccs1)NS(=O)(=O)c1ccc(Cl)s1 26879866 CGNXKFBRIVSQTM-QMMMGPOBSA-N 321.876 3.373 0 40 DGAB Cc1cc(NC(=O)CN2CCCc3cc(C(C)C)ccc32)no1 30140643 GCAOXELNJNPIKI-UHFFFAOYSA-N 313.401 3.498 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(Cn3ccnc3)c2)c(O)c1 31371121 CAFKCEFUYKFEIF-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB O=C(NCc1nnc2n1CCCCC2)c1cccc2ccccc12 40461303 VZPNFPSXWIYQQI-UHFFFAOYSA-N 320.396 3.088 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 50921382 OJWURUYENRQOGG-LLVKDONJSA-N 313.756 3.339 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)no2)cc1 21174213 HXZPDPWFEWTLCH-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB CN(Cc1cccc2ccccc12)c1ncnc2c1cnn2C 52427167 REYSPAMFSSQNKR-UHFFFAOYSA-N 303.369 3.153 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)c(C)c1 260494 KKIDXXOCDCROHG-INIZCTEOSA-N 318.417 3.499 0 40 DGAB CC(C)CNC(=O)N1CCC[C@@H](CC(=O)Nc2ccsc2)C1 76020893 SMGIXVYCKSXVOH-ZDUSSCGKSA-N 323.462 3.154 0 40 DGAB O=C(CCc1ccc(F)cc1)N[C@@H](c1nccs1)C1CC1 76040966 RVMKFTAAXOTEBS-OAHLLOKOSA-N 304.390 3.482 0 40 DGAB CC(C)N(C(=O)c1nc(C2CC2)n(-c2ccccc2)n1)C(C)C 78612242 HUPMTVMDHLCAPX-UHFFFAOYSA-N 312.417 3.404 0 40 DGAB Cc1ccc(NC(=O)NCCCCN2C[C@H](C)O[C@H](C)C2)cc1 79064381 DYTFFNQWRCDKLN-IYBDPMFKSA-N 319.449 3.006 0 40 DGAB Cc1cccc(NC(=S)N[C@@H](CC(=O)O)c2ccccc2)c1 2747733 YMGXPKGSIFFGTA-HNNXBMFYSA-N 314.410 3.497 0 40 DGAB O=C(Cc1csc(COc2ccccc2)n1)NC1CCCC1 33326130 YBZHTPVCWAUWLV-UHFFFAOYSA-N 316.426 3.323 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccc2cc[nH]c2c1 53746782 PDZZGFKFZONEKD-UHFFFAOYSA-N 321.258 3.127 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCC(C)CC2)cc1 10540909 QKXNRCAIBIWTDB-UHFFFAOYSA-N 302.462 3.166 0 40 DGAB C[C@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101703108 LXNOAIIBZDISFK-KZNHRNQASA-N 313.397 3.369 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2c(C)noc2n1 102128137 BCULXEWUHNBOIE-ZRJCITRHSA-N 313.401 3.394 0 40 DGAB COc1ccc(C(=S)NCc2ccc(C)cc2)c(OC)c1 9188169 BJHGIIITPJOLEY-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB CNC(=O)c1ccc(C)c(NC(=O)c2ccc3c(c2)CCCC3)c1 24922124 JLETWWOGVQVPDR-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB CN(Cc1ccc(F)cc1F)C(=O)NCCc1cccc(F)c1 25079636 OOABYBKOTWEVPY-UHFFFAOYSA-N 322.330 3.488 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@H](c1ccccc1)C1CC1 25768548 ZZGQKDDCOHCTEU-QGZVFWFLSA-N 301.411 3.257 0 40 DGAB C[C@@H](N[C@H](C(N)=O)c1ccccc1)c1ncc(-c2ccccc2)o1 97112325 GAVSUZDFTUMDAY-DYVFJYSZSA-N 321.380 3.219 0 40 DGAB CCCCn1nnnc1CSc1nc2ccccc2nc1C 58160342 ZFTSUJKKNHEBBB-UHFFFAOYSA-N 314.418 3.017 0 40 DGAB CCN(C(=O)c1cc2cc(OC)ccc2nc1C)[C@@H](C)COC 58209340 JRKHVNPFPBFASE-LBPRGKRZSA-N 316.401 3.049 0 40 DGAB CC[C@@H](C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 44979327 GLRFBWMMZUMEQB-HZPDHXFCSA-N 313.401 3.278 0 40 DGAB Cc1ncsc1C(=O)NCc1ccnc(OC2CCCC2)c1 44938916 FSWLUYXRPCALNF-UHFFFAOYSA-N 317.414 3.098 0 40 DGAB CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@H]3C)n2)cc1 3336870 HAHWFNCFYDFEAM-RNCFNFMXSA-N 315.398 3.363 0 40 DGAB CCOCCOc1cccc(NC(=O)c2ccc(F)cc2)c1 10325090 GKLDQRVDNUYFEV-UHFFFAOYSA-N 303.333 3.493 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1c(F)cccc1F)c1ccco1 58316641 RUZGWBGNHFARKF-CQSZACIVSA-N 322.355 3.371 0 40 DGAB COc1cc(OC)c(C(=O)OCc2ccc(C)cc2)cc1OC 3322688 NHMDMRQBCPWYIG-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB COc1cc(-c2noc(-c3ccco3)n2)cc(OC)c1OC 2202201 SRDKXLQSEZFEJG-UHFFFAOYSA-N 302.286 3.022 0 40 DGAB COC(=O)c1cccnc1N1CCC[C@H](c2nc(C)cs2)C1 97140677 GVFNAVAWXGCJLH-LBPRGKRZSA-N 317.414 3.017 0 40 DGAB CC(C)CNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 11407389 UHAKYWPHXPTORC-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB C[C@@H](NC(=O)NCc1nc2ccccc2s1)c1ccco1 48342668 IZBULRSWUVGHKB-SNVBAGLBSA-N 301.371 3.450 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3523825 GANSECDFJCLNAL-UHFFFAOYSA-N 309.365 3.279 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 70755434 ATXZDRAFUYLUMA-ONGXEEELSA-N 300.383 3.109 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 62927914 HBNKISQQBDSKQG-AWEZNQCLSA-N 310.397 3.304 0 40 DGAB Cn1ccnc1CSc1nc(-c2ccc(Cl)cc2)n[nH]1 48872692 UFPIVXDSPXCEJB-UHFFFAOYSA-N 305.794 3.151 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1cc2sc(N(C)C)nc2s1 48910676 NWNNGUOFGOQWAE-SECBINFHSA-N 309.460 3.438 0 40 DGAB CN1C[C@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8845097 HXNUMGSGPHJQHH-CQSZACIVSA-N 323.371 3.169 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1cccc(-n2cccc2)c1 71921172 HALVJZRONBBAGB-KGLIPLIRSA-N 301.390 3.006 0 40 DGAB Cc1c(C2CC2)n[nH]c1NC(=O)COc1ccc2c(c1)CCC2 64347428 LGQKGBQHSUZMOJ-UHFFFAOYSA-N 311.385 3.102 0 40 DGAB C[C@H](OC(=O)c1ccccc1F)C(=O)NCC1CCCCC1 6059407 LJTHHQHMDOBNSU-LBPRGKRZSA-N 307.365 3.068 0 40 DGAB CCCC(=O)N(Cc1cc2ccccc2[nH]c1=O)C(C)(C)C 5164651 SFHMZIRHHVFDTK-UHFFFAOYSA-N 300.402 3.455 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccccc1 6226084 KYYLMEOBKWETCY-UHFFFAOYSA-N 305.403 3.009 0 40 DGAB Cc1cccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)c1 5244721 JDEGGSXDQXULCM-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCCO3)no1 65434511 RALNBZDANNYVFN-NSHDSACASA-N 317.345 3.027 0 40 DGAB O=C(CN1CCC[C@@H]1c1ccccc1)N1CCc2ccccc21 14076735 ACEQVASETXRUOI-GOSISDBHSA-N 306.409 3.413 0 40 DGAB Cc1cccc(CCNC(=O)CSCc2c(C)noc2C)c1 65587971 UIUIXMJHHSWRRT-UHFFFAOYSA-N 318.442 3.192 0 40 DGAB C[C@@]1(C(=O)Oc2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 4539900 UVRPUUGEVWBEBJ-KRWDZBQOSA-N 316.740 3.417 0 40 DGAB CON(C)C(=O)c1cc(-c2cc(C)oc2C)nc2onc(C)c12 25714896 CBKKSQSCQGSQPL-UHFFFAOYSA-N 315.329 3.041 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccccc1F)N(C)C3=O 5575860 LGQROYYGOSSWDF-INIZCTEOSA-N 323.323 3.416 0 40 DGAB Cc1oc(-c2ccco2)nc1CC(=O)Nc1cnn(C(C)C)c1 66386771 FZHHYRUJPFECRH-UHFFFAOYSA-N 314.345 3.202 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1coc2ccccc2c1=O 6847130 CUJRNJHKGXMBFL-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1C[C@H]1CC1(Cl)Cl 15355663 HBJZFBHAAPLFCV-SSDOTTSWSA-N 303.576 3.244 0 40 DGAB C[C@@H](Sc1nnc(C2CC2)o1)C(=O)NC1CCCCCC1 7297831 QAVVRZBHLKAAHX-SNVBAGLBSA-N 309.435 3.267 0 40 DGAB Nc1nc(N)nc(CSCc2ccc(-c3ccccc3)cc2)n1 9365446 LOAJHYUXUQWSKB-UHFFFAOYSA-N 323.425 3.136 0 40 DGAB COc1ccc(CCNC(=O)Cc2ccccc2Cl)cc1 7967090 DLYMVQJMIISKOV-UHFFFAOYSA-N 303.789 3.250 0 40 DGAB O=C(CSc1ncnc2nc[nH]c12)c1ccc(Cl)s1 16430779 KFGHVXLKSWBXIU-UHFFFAOYSA-N 310.791 3.043 0 40 DGAB C[C@H](NC(=O)c1ccncc1)c1ccc(Br)s1 81394737 TZOQBCLWUNHEDI-QMMMGPOBSA-N 311.204 3.397 0 40 DGAB CCOc1ccc(S(=O)(=O)n2cnc(C)c2)cc1C(C)(C)C 8132553 YKEYSENRTAGQDK-UHFFFAOYSA-N 322.430 3.125 0 40 DGAB OC1CCC(Nc2nc(C(F)(F)F)nc3ccccc23)CC1 9740968 UKCRBZOQEYMVAA-UHFFFAOYSA-N 311.307 3.364 0 40 DGAB CC(C)NC(=O)C1CCN(C(=O)c2cccc3ccccc23)CC1 9500770 ORXAACLBJCVENR-UHFFFAOYSA-N 324.424 3.217 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@H](n2ccnc2)C1 69917451 UAHGJUBCZAHKKL-ZDUSSCGKSA-N 301.415 3.299 0 40 DGAB COCCC1(C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2F)CCC1 95415284 KIIXJJVHTTWXMC-OCCSQVGLSA-N 309.356 3.144 0 40 DGAB Cc1ncn(CCC(=O)Nc2cccc(Br)c2)c1C 95438689 JGITUPZMGISZEY-UHFFFAOYSA-N 322.206 3.291 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@H]1C[C@H](O)c1ccco1 95412365 YMSLNYZLORRJCY-GJZGRUSLSA-N 318.417 3.066 0 40 DGAB Cc1cnc(NC(=O)Cc2cccs2)c(Br)c1 95436719 FYLZMYINJBUOKN-UHFFFAOYSA-N 311.204 3.395 0 40 DGAB OCc1nc2ccccc2n1Cc1ccc(OC(F)(F)F)cc1 73879342 LCIDXCLAZZFJDV-UHFFFAOYSA-N 322.286 3.476 0 40 DGAB CN(Cc1nncn1C)[C@H](c1ccccc1)c1ccc(F)cc1 89761932 LAXHSKNVYMUXMM-GOSISDBHSA-N 310.376 3.176 0 40 DGAB Cc1cc(NC(=O)COc2ccc(F)cc2)n(C2CCCC2)n1 28240494 OXFBAXPZFJZFQY-UHFFFAOYSA-N 317.364 3.463 0 40 DGAB CCOC(=O)C1CCN(C(=O)CCc2ccc(Cl)cc2)CC1 28576548 NXUBKDJVHBEITC-UHFFFAOYSA-N 323.820 3.074 0 40 DGAB c1ccc(-c2ncc(CN[C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cn2)cc1 554813292 LGCOZDVNHHVTJK-RCCFBDPRSA-N 321.424 3.191 0 40 DGAB COc1cccc(F)c1NC(=O)N1CCC[C@]1(CO)CC(C)C 189921912 CPGYZXBFFHMASF-QGZVFWFLSA-N 324.396 3.239 0 40 DGAB Cc1cc(C)nc(Nc2nccnc2[C@H]2CCCN2C(C)C)n1 72384612 ZUROBLSNLLCEIK-CQSZACIVSA-N 312.421 3.172 0 40 DGAB Cc1ccc(-c2c(C)nn3c(NCCO)c(C)c(C)nc23)cc1 72341706 OHBNQAXLEUGJFI-UHFFFAOYSA-N 310.401 3.034 0 40 DGAB Cc1ccc2c(c1)[C@H](NCCCOC1CCOCC1)[C@H](C)C2 180916498 BBRCFXIZYHQPPB-DNVCBOLYSA-N 303.446 3.404 0 40 DGAB CCc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1 73743209 YUUQBQVAIJDDQD-UHFFFAOYSA-N 316.788 3.157 0 40 DGAB O=C(NCc1cccc(CN2CCCCC2)c1)C1CCCC1 224698623 VEHZAEMPNRBGQO-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB CCOc1cccc(CNC(=O)COc2cccc(Cl)c2)c1 48376688 WVDVZRQWXOAAKR-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccnc3)N21 222649854 BILUQVGMINZHMV-VNQPRFMTSA-N 310.426 3.456 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(F)c(C)c2)c(CC(=O)O)s1 85397385 HLHSEVQFMCXOIS-UHFFFAOYSA-N 322.361 3.233 0 40 DGAB O=C(c1csc(-c2cnccn2)n1)N1CCCc2ccccc21 44123928 MDHDYQOUVRWAJV-UHFFFAOYSA-N 322.393 3.193 0 40 DGAB Cc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)c(C)c1 224205277 UTAZDSXAHUZQGX-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB COC(=O)[C@H](Sc1nnc[nH]1)c1ccc(Cl)c(Cl)c1 191484784 YSDVDBSOCXYZMR-SECBINFHSA-N 318.185 3.118 0 40 DGAB C[C@@H]1CC(=O)N[C@H](C(=O)Nc2ccc(-c3ccsc3)cc2)C1 575603152 FTTJQCUQJORXDC-NHYWBVRUSA-N 314.410 3.268 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1ccc2c(ccn2C(C)C)c1 95472995 HPHOHCLFCGCMOD-KRWDZBQOSA-N 313.445 3.436 0 40 DGAB CC(C)CN1CC2(CCN(C(=O)Cc3ccc(Cl)cc3)C2)C1 96070750 AZSNDGZNGBNUAW-UHFFFAOYSA-N 320.864 3.073 0 40 DGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@H]1CCCS1 96435972 QXPMLJDNFFWUDA-GFCCVEGCSA-N 319.348 3.140 0 40 DGAB CO[C@@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 96111158 JJUMKQQLRQKWPC-AZUAARDMSA-N 310.441 3.470 0 40 DGAB CCSc1ccccc1C(=O)Nc1cnn([C@@H]2CCOC2)c1 96123104 AZAJUAQPRMJVHK-CYBMUJFWSA-N 317.414 3.209 0 40 DGAB CC(=O)NC1CCC(N[C@@H]2CCCC[C@H]2OC2CCCC2)CC1 97102539 QUEHNMUSUUTRNC-LRMJVLKBSA-N 322.493 3.294 0 40 DGAB O=C1c2ccccc2C(=O)N1[C@H]1CCc2[nH]c3ccccc3c2C1 95496266 TXKSOHZSRHOGRE-LBPRGKRZSA-N 316.360 3.321 0 40 DGAB CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C 96492739 IYBDTAGGJRWYEV-KBPBESRZSA-N 323.437 3.342 0 40 DGAB O=C(Nc1ccccc1Cl)Nc1ccccc1-c1nnn[nH]1 97105449 KZMHTCRCYKPVQD-UHFFFAOYSA-N 314.736 3.164 0 40 DGAB O=C(N[C@@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1F 96466178 GCESWPYWEYLDPL-OAHLLOKOSA-N 312.344 3.397 0 40 DGAB Cn1cc([C@H](O)CN[C@@H]2CCCC[C@H]2C2=CCCCC2)cn1 245316762 KOOBHURFQHPOJW-RCCFBDPRSA-N 303.450 3.102 0 40 DGAB COc1cccc(Cc2cncc(C(=O)N(C)C3CCC3)c2)c1 257232914 GMYKTKPALOIKEA-UHFFFAOYSA-N 310.397 3.306 0 40 DGAB CCc1ccc2occ(C(=O)NC[C@@H]3CN4CCC3CC4)c2c1 585087981 FJDWRHDKQYYULE-OAHLLOKOSA-N 312.413 3.067 0 40 DGAB Fc1ccc(N2CCC(OCCc3ccccc3)CC2)nc1 252511339 ZZPBDIUFRHVZSK-UHFFFAOYSA-N 300.377 3.449 0 40 DGAB FC(F)(F)c1cccc(CCN2CCC3(CC2)OCCO3)c1 585123899 LRPRPDXNQATMAN-UHFFFAOYSA-N 315.335 3.087 0 40 DGAB C[C@@H](NC[C@@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C 585134724 HPBPOGIFLMZVMR-OLZOCXBDSA-N 322.840 3.154 0 40 DGAB Cc1cnc([C@@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]1 585181410 HJVXCPJXKCCTFT-HNNXBMFYSA-N 312.348 3.316 0 40 DGAB Cc1cnn(C[C@H](C)N[C@H](C)c2nnc(-c3cccs3)o2)c1 69739186 WBUZNKKDCGOFDB-NWDGAFQWSA-N 317.418 3.042 0 40 DGAB C[C@@H](NC(c1ccc(F)cc1)c1ccc(F)cc1)C(=O)N(C)C 92820687 WVIPVIBWUCSZFM-GFCCVEGCSA-N 318.367 3.121 0 40 DGAB COC(=O)[C@H](C)SCc1nnc(-c2ccc(Cl)cc2)o1 97165366 RHPGMFAOWKANCV-QMMMGPOBSA-N 312.778 3.185 0 40 DGAB COc1ccc2cc(CNc3ccc(F)c(F)c3)c(=O)[nH]c2c1 19563930 PULMUQPJOXLJBA-UHFFFAOYSA-N 316.307 3.427 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)NC1CCC(F)(F)CC1 341528366 LPGLNBOSZBHFEF-SNVBAGLBSA-N 301.308 3.287 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(Br)cc1N 20520944 NMPJYQXCDRRGQP-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H](c3n[nH]cc3C)C2)s1 2037684435 PMOQVDAMZSCQHX-CYBMUJFWSA-N 303.431 3.037 0 40 DGAB O=C(NC[C@]1(O)CSCc2ccccc21)Nc1cccs1 2087141424 PIRYASWICMYPDH-HNNXBMFYSA-N 320.439 3.004 0 40 DGAB CCN(CC)CCN(C(C)=O)c1nc2ccc(F)cc2s1 5121847 ZKDYAOZIBFKMBK-UHFFFAOYSA-N 309.410 3.130 0 40 DGAB O=C(Cn1cccn1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206879753 XMQPRAGSEWYYSQ-HNNXBMFYSA-N 317.820 3.333 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)cc1F 575362151 IMVQXHNOWVZJBZ-UHFFFAOYSA-N 303.127 3.113 0 40 DGAB CCn1cc(-c2nc(-c3ccncc3)no2)c(=O)c2ccccc21 57354812 JJUNQLHLFKFRGX-UHFFFAOYSA-N 318.336 3.133 0 40 DGAB O=C(O)[C@H]1CC[C@@H](C(=O)Nc2nc(-c3ccccc3)cs2)C1 140151679 BDLDVMZWIHUIMJ-NEPJUHHUSA-N 316.382 3.250 0 40 DGAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(F)cc1F 30803152 JATKFUOFPIZZKR-UHFFFAOYSA-N 311.357 3.044 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)/C=C/c2cscn2)c1 50312406 HEZASCUGHKXPTB-AATRIKPKSA-N 324.409 3.348 0 40 DGAB O=C(/C=C/c1ccccc1F)Nc1ccc(N2CCCC2)nc1 31632721 MHLCWKUVDOQDEO-JXMROGBWSA-N 311.360 3.473 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(CN2CCCC2=O)cc1 20494523 XSVYJAPQSIHOGB-UHFFFAOYSA-N 322.408 3.081 0 40 DGAB CCOc1ccc([C@@H]2CCCN2C(=O)Nc2nncs2)cc1 40525245 OSNFCAMITOZVSN-ZDUSSCGKSA-N 318.402 3.306 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1 40554107 SEDRHKPOSOUPES-LLVKDONJSA-N 322.393 3.192 0 40 DGAB COc1ccc(C(=O)OCc2nnc(C)o2)cc1-c1ccccc1 51497313 NYWLFFJWEBIIGF-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1c(F)cccc1F 102151532 TWCSGDZTDOCUPC-SDDRHHMPSA-N 323.339 3.273 0 40 DGAB COc1cccc(NC(=O)/C=C/c2ccc(NC(C)=O)cc2)c1 32901391 STVAFHYRAZDZPV-DHZHZOJOSA-N 310.353 3.306 0 40 DGAB CCOC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCC2 161240 HLLYMVAOPJHCIP-UHFFFAOYSA-N 321.320 3.304 0 40 DGAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1Cc1ccccn1 32952568 XGHJNOYRGNEZJB-UHFFFAOYSA-N 323.440 3.467 0 40 DGAB COc1ccc(C2(C(=O)Nc3ccccc3)CCOCC2)cc1 1025950 DQYWGPRKBZUOSL-UHFFFAOYSA-N 311.381 3.382 0 40 DGAB biogenic CC1(C)CCCN1C(=O)NCC1(c2ccccc2)CCOCC1 77516435 WQDNUXARQSSXND-UHFFFAOYSA-N 316.445 3.319 0 40 DGAB CSCc1cccc(NC(=O)NC[C@@H](C)C[C@H](C)O)c1C 77714504 QLXPWQRPUXXZCY-RYUDHWBXSA-N 310.463 3.387 0 40 DGAB CCN(CC)C[C@H](O)CNc1c(C)cnc2cc(Cl)ccc12 1700232 DPTZFBWALSIQRG-CQSZACIVSA-N 321.852 3.311 0 40 DGAB CCN(CC)CCOc1ccccc1NC(=O)N(C)C(C)C 79067664 WNHNUVPMQAUJAN-UHFFFAOYSA-N 307.438 3.279 0 40 DGAB CCCNC(=O)c1cccc(C(=O)NCC2(CC(C)C)CC2)c1 79093556 WLKAMEBXIRFSMP-UHFFFAOYSA-N 316.445 3.383 0 40 DGAB O=C(NCc1cn2ccsc2n1)N1CCC[C@@H]1C1CCCC1 79579278 JJRYUOACZWASGY-CQSZACIVSA-N 318.446 3.260 0 40 DGAB Cc1c(Cl)c(C(F)F)nn1[C@@H](C)C(=O)Nc1nccs1 2781621 NVHVEMKXWBNGRX-LURJTMIESA-N 320.752 3.439 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CCC(=O)NCc2cn3ccccc3n2)o1 53175341 CXGSSQXNNMRMBP-XJKSGUPXSA-N 323.396 3.300 0 40 DGAB CCOc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)[C@@H](O)C[C@H]12 6657157 ZEQNGLSQEXECAG-XHYRXIGBSA-N 316.441 3.273 0 40 DGAB CC(C)c1cc(-c2cc(O)nc(NCc3cccs3)n2)[nH]n1 100222372 CNZBDOWNIHOMNP-UHFFFAOYSA-N 315.402 3.369 0 40 DGAB Cc1cc(NC(=O)N2CCC(OCc3ccccc3)CC2)no1 53493904 CWYYMEKLKFPPFZ-UHFFFAOYSA-N 315.373 3.196 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN(CCc3ccccc3)C2)n1 54204363 JBNQPBGAMJEMRU-GOSISDBHSA-N 323.440 3.283 0 40 DGAB Cc1cc(C)cc(N(C)Cc2cc(=O)n3cc(C)ccc3n2)c1 54291122 TYQDMPFKFSGZHN-UHFFFAOYSA-N 307.397 3.256 0 40 DGAB C[C@H](OC(=O)CC[C@H](N)C(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C 55124480 NWFOJMQOKNLKHC-AVGNSLFASA-N 315.454 3.050 0 40 DGAB CC[C@H](C)Oc1ccc(NC(=O)NC[C@@H]2CCCOC2)cc1 56742747 BNRRUVVNLJYPFM-KBPBESRZSA-N 306.406 3.412 0 40 DGAB Cc1ccc(Cl)c(OC(C)(C)C(=O)NC[C@H]2CCCO2)c1 1459170 QSSIQDFGTOLLCP-GFCCVEGCSA-N 311.809 3.101 0 40 DGAB Cc1nccn1-c1cc(CNC(=O)C=C2CCCCC2)ccn1 55996890 GAOGNAHMEKHPDF-UHFFFAOYSA-N 310.401 3.082 0 40 DGAB C[C@H]1[C@H](C)CCN1Cc1cnc2ccc(Br)cn12 108370259 BCTBNTYTPHDQTE-MNOVXSKESA-N 308.223 3.327 0 40 DGAB O=C(NCCc1cccc(F)c1)c1ccc(OC(F)F)cc1 10100906 BSYWUFFIOGAMAT-UHFFFAOYSA-N 309.287 3.400 0 40 DGAB O=C(Nc1ccc(Cl)cc1)OC[C@H]1[C@@H](CO)[C@H]2C=C[C@H]1C2 104200991 BAPOYRYFAYJTIF-LWWSYDQCSA-N 307.777 3.319 0 40 DGAB CCc1ccc(O[C@H](C)C(=O)NCCc2csc(C)n2)cc1 28251572 OSJPQODYAYWVKB-GFCCVEGCSA-N 318.442 3.140 0 40 DGAB CCn1cc(Cl)c(C(=O)N[C@H](C)c2ccc(OC)cc2)n1 28239146 UMHVBVRSQXYWGS-SNVBAGLBSA-N 307.781 3.056 0 40 DGAB Cc1c(Nc2ccc(C=O)cc2)c(=O)n(-c2ccccc2)n1C 3337423 QKMOYNJSMZQJMF-UHFFFAOYSA-N 307.353 3.041 0 40 DGAB COc1cccc(CS(=O)(=O)CCCc2ccccc2)c1 58453091 HUVQPRBXPFQHAR-UHFFFAOYSA-N 304.411 3.243 0 40 DGAB CC(C)[C@@H](NC(=O)N[C@H](C)Cn1ccnc1)c1cccs1 45123922 HSRSOUPQHJNENC-TZMCWYRMSA-N 306.435 3.030 0 40 DGAB COc1ccccc1C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 12733646 ADXFYACZKOGKIP-CQSZACIVSA-N 321.380 3.372 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2cccnc2)cnn1-c1ccc(F)cc1 45517750 SANJACRAPYZJNS-GFCCVEGCSA-N 324.359 3.206 0 40 DGAB COc1nc2ccccc2cc1-c1noc(-c2ccncc2)n1 2423167 QXTCYVIRNWEMQK-UHFFFAOYSA-N 304.309 3.355 0 40 DGAB CC(=O)Oc1ccc([C@@]2(C)NN=C(c3ccccc3)S2)cc1 409077631 FBPXMFAHBCMBSA-KRWDZBQOSA-N 312.394 3.483 0 40 DGAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)Nc1cc(F)cc(F)c1 45985981 NDMNDYQINJDEOO-RYUDHWBXSA-N 311.376 3.349 0 40 DGAB Cc1nc(C(=O)NC2CCC(C)CC2)nn1-c1ccc(F)cc1 12946443 ZOIIGQYOMRMGRL-UHFFFAOYSA-N 316.380 3.023 0 40 DGAB COc1ccc(CCN(C)C(=O)c2cc(C)oc2C)cc1OC 12979012 NHSMJNHLRFWEOD-UHFFFAOYSA-N 317.385 3.228 0 40 DGAB CCCN1CCn2c(nc3cc(NC(=O)CC(C)C)ccc32)C1 13692013 HWQDBVYBCGPHHI-UHFFFAOYSA-N 314.433 3.247 0 40 DGAB COc1ccc(OC)c(NS(=O)(=O)c2ccc(C)c(C)c2)c1 6316555 XAQNXAICDHAXSG-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1cccs1 14083278 ISHOZXFSMJTZLW-LLVKDONJSA-N 319.382 3.249 0 40 DGAB CCCc1cc(=O)oc2cc(O[C@H](C)C(=O)OC)c(Cl)cc12 4749552 AXOHAEJRCVPOFG-SECBINFHSA-N 324.760 3.339 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c1C 9365388 LYHSCSXLQIZETA-GJZGRUSLSA-N 302.418 3.486 0 40 DGAB Cc1nnc(NC(=O)COc2cc(Cl)ccc2Cl)s1 5756533 QGYFMBNCHULIGV-UHFFFAOYSA-N 318.185 3.171 0 40 DGAB Cc1noc(C)c1C(=O)NCCc1ccc(C(F)(F)F)cc1 8983969 BRRGWRHXLYPODI-UHFFFAOYSA-N 312.291 3.283 0 40 DGAB c1csc(C2=Nn3c(nnc3-c3cccs3)SC2)c1 6941362 IBWBEDMSEVDVSY-UHFFFAOYSA-N 304.425 3.426 0 40 DGAB Cc1nc(N2CCC(N3CCCCC3)CC2)nc2ccccc12 67648895 KZVXCUDTJFXSER-UHFFFAOYSA-N 310.445 3.393 0 40 DGAB Nc1c(-c2nnnn2-c2ccccc2)cnc2cc(Cl)ccc12 19593818 HBLPLRSIBJULHR-UHFFFAOYSA-N 322.759 3.113 0 40 DGAB CC1CCC(NC(=O)COC(=O)c2cc3ccccc3[nH]2)CC1 8150716 QOVQZRAMZFWAHG-UHFFFAOYSA-N 314.385 3.020 0 40 DGAB COc1ccccc1CNC(=O)c1ccc2ccccc2c1O 8130644 GCWGNCIXRAGRKE-UHFFFAOYSA-N 307.349 3.484 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccc(F)cc1Cl 70038148 PQYOOLLUASGLMH-SJORKVTESA-N 324.827 3.454 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cc(C)cn3)C2)c1 69489646 YEAHHDCUMFLDEG-FHWLQOOXSA-N 323.440 3.467 0 40 DGAB c1cncc(-c2cnc3n2C[C@H]2CN(Cc4ccsc4)C[C@@H]32)c1 306127466 FZCZJOXRMGOYII-HZPDHXFCSA-N 322.437 3.236 0 40 DGAB COc1ccc(-c2noc(COC(=O)c3cccs3)n2)cc1 8496367 HIYLSXZGGHSPQL-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB CO[C@H](C)C(=O)N1CCC[C@@H]1c1ccccc1C(F)(F)F 69513377 PKIAWADJEXNEEW-ZWNOBZJWSA-N 301.308 3.404 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nc2ccccc2s1 69667080 FTDUCEJNYJDIGR-HUUCEWRRSA-N 315.442 3.276 0 40 DGAB CSc1cccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)c1 9458892 FUKACKDUNNMJDB-HNNXBMFYSA-N 313.378 3.129 0 40 DGAB COc1cccc(C2(C(=O)NCc3cc(C)no3)CCCC2)c1 71888793 MTDRJVUIPQVZQP-UHFFFAOYSA-N 314.385 3.120 0 40 DGAB CCc1onc(C)c1NC(=O)Nc1ccc(-n2cccn2)cc1 97377718 JBUATJQRBUWRRW-UHFFFAOYSA-N 311.345 3.375 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1cccc(Oc2ccncc2)c1 71903015 GRTMGMPXSXMQAP-UHFFFAOYSA-N 308.341 3.466 0 40 DGAB Oc1cccc2c1CC[C@H]2NC1CCN(c2nccs2)CC1 97036967 ZPIOPFOKDVFYOR-OAHLLOKOSA-N 315.442 3.095 0 40 DGAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1ccccc1F)c1ccccc1 97018292 QDAHNAWFDDRWQF-IAQYHMDHSA-N 301.317 3.018 0 40 DGAB Cc1cc(C(=O)Nc2sccc2S(C)(=O)=O)c(C)s1 72288240 YBQJZPRSWCRNJG-UHFFFAOYSA-N 315.441 3.082 0 40 DGAB CN1CC[C@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 95437866 ZUBHZUVBSVRUND-ZFWWWQNUSA-N 322.767 3.247 0 40 DGAB CCS[C@@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C(C)C 95970418 BLHWGMQMYAWFPC-CYBMUJFWSA-N 313.419 3.022 0 40 DGAB C[C@@H](c1cccnc1)N(C)C(=O)N[C@@H](c1nccs1)C1CC1 74708759 JEKRBLZONAGXEB-SMDDNHRTSA-N 316.430 3.392 0 40 DGAB O=C(CCc1ccc(Cl)cc1)N1CC[C@H](CN2CCCC2)C1 89783545 RVOOQHCLRIDBLS-MRXNPFEDSA-N 320.864 3.217 0 40 DGAB CNC(=O)C1CCN(CCC23CC4CC(CC(C4)C2)C3)CC1 27965886 IUUNLFLYMUDSRX-UHFFFAOYSA-N 304.478 3.051 0 40 DGAB CC(=O)c1c(C)nc2c(c(C)nn2-c2ccc(Cl)cc2)c1N 1548338365 RRDFIJHRPNOTHD-UHFFFAOYSA-N 314.776 3.476 0 40 DGAB CCc1ccc2oc(C(=O)N[C@@H](C(=O)O)C(C)C)c(C)c2c1 62714977 LBPVGPHOVKFGPS-CQSZACIVSA-N 303.358 3.143 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)NC1Cc2ccccc2C1 546568976 QCWIBNKIFGIINM-OAHLLOKOSA-N 308.425 3.474 0 40 DGAB COc1cc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)ccc1C 409198686 CXJKARUORSVQIL-MHWRWJLKSA-N 322.364 3.097 0 40 DGAB NCC[C@@H]1CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1 1523018360 HPPLGFIBKYFKBM-CQSZACIVSA-N 322.408 3.326 0 40 DGAB C[C@@H]1CCCC[C@H]1CC(=O)N1CCC[C@@H]1c1ccc(O)nn1 530077825 XHYKIJOTCXHOCI-VNHYZAJKSA-N 303.406 3.062 0 40 DGAB COc1cccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)c1 36635607 YHDLSKWPOMTIPP-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB COc1ccccc1C(=O)NCCCn1ncc2ccc(C)cc21 72239513 BXLCMMWJLFDWDG-UHFFFAOYSA-N 323.396 3.173 0 40 DGAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2ccccc2C)C1 72365831 XRMMKHFTGALYKF-MRXNPFEDSA-N 309.413 3.253 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NCc2ccccc2F)CC1 78965910 CPUOKJWOKRVDOZ-UHFFFAOYSA-N 308.397 3.315 0 40 DGAB Cc1cc(S(C)(=O)=O)ccc1NCc1cc(F)cc(F)c1 187284810 KKGBQFYVVJEJTO-UHFFFAOYSA-N 311.353 3.289 0 40 DGAB CC(=O)N(C)c1cccc(NC(=O)N(C)[C@@H](C)c2ccco2)c1 81107076 WNYCDVCWCLPAGS-LBPRGKRZSA-N 315.373 3.487 0 40 DGAB c1ccc(COCc2noc(-c3noc4c3CCCC4)n2)cc1 567974099 GQXVEGIEMWADBB-UHFFFAOYSA-N 311.341 3.320 0 40 DGAB Cc1ccccc1OCC(=O)NCCOc1cccc(C)c1C 223896613 UADBUTAKPVDTBP-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB O=C(Nc1cccc(Cl)c1Cl)C(=O)NC1CCCCC1 42645905 LSXKKOVKOZIODB-UHFFFAOYSA-N 315.200 3.381 0 40 DGAB COc1cccc(CN(C)c2ncccc2Br)c1 42442491 XTLOTRGVVLRNOL-UHFFFAOYSA-N 307.191 3.489 0 40 DGAB CCCc1noc([C@H]2CCCCN2C(=O)Cc2cccs2)n1 40714900 WRSBUOLVLDFSSS-CYBMUJFWSA-N 319.430 3.380 0 40 DGAB CC(=O)NC1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 40443180 DAWHOSORSVGVSH-UHFFFAOYSA-N 318.417 3.049 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(O[C@@H]2CCSC2)nc1 225713524 LCSDYAHICVTURX-GFCCVEGCSA-N 318.373 3.357 0 40 DGAB Clc1ccc([C@H](CNCc2cccnc2)n2cccn2)cc1 83476188 SNWKMWJZQOLVGE-KRWDZBQOSA-N 312.804 3.311 0 40 DGAB C[C@@H](O)CCN[C@H](c1ccc(Br)cc1)c1ccco1 195555482 KRIQRXPJVNSARC-IAQYHMDHSA-N 324.218 3.492 0 40 DGAB Cc1ncsc1CNC(=O)NC[C@H](C)Sc1ccccc1 96439851 NEIAGHTVQURSAJ-NSHDSACASA-N 321.471 3.432 0 40 DGAB COc1ccc([C@H](NC(=O)NCC2CC2)C(F)(F)F)cc1 97100198 PZDKDBFBIFMULU-LBPRGKRZSA-N 302.296 3.008 0 40 DGAB Cc1nc(CN2CCC23CCN(Cc2ccco2)CC3)cs1 96077987 OJGBNSCYLAYFCP-UHFFFAOYSA-N 317.458 3.285 0 40 DGAB Cc1cc(C)c(-c2c(CC(=O)O)sc3ncnn23)cc1C 95095783 VPRDAYLCJPIJPL-UHFFFAOYSA-N 301.371 3.010 0 40 DGAB Cc1nc(CN2CCC23CCN(Cc2ccoc2)CC3)cs1 96077985 RMSPQEDANORKEL-UHFFFAOYSA-N 317.458 3.285 0 40 DGAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc2[nH]ncc2c1 97231533 BKHNRUYZQFZMMY-KDOFPFPSSA-N 321.428 3.280 0 40 DGAB CN(C)c1ncc(-c2ccc(F)cc2)c([C@@H]2CCCCN2)n1 257270200 MTDKAVQFMPELQA-HNNXBMFYSA-N 300.381 3.163 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)c2occc2C(C)C)cn1 252497464 QIQOEPSVRUDFTO-UHFFFAOYSA-N 316.357 3.156 0 40 DGAB O=C(NCc1ccc(C(=O)O)cc1)Nc1nc(C2CC2)cs1 261995157 UGCJGTJPAMIKJU-UHFFFAOYSA-N 317.370 3.040 0 40 DGAB Cc1nc(C)c(CCN[C@H](C)c2cn3ccccc3n2)s1 548056475 XLYFOJANZPQRJV-LLVKDONJSA-N 300.431 3.301 0 40 DGAB Cc1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)c(C)s1 37420639 PYOFIPZIFZYYKI-CQSZACIVSA-N 303.383 3.311 0 40 DGAB CC(C)(C)OC(=O)N1Cc2cc3ccccc3nc2[C@H]1CO 5103266 HMLJGIJWOKYLQH-CQSZACIVSA-N 300.358 3.019 0 40 DGAB Cc1cccc(-n2c(C)nnc2S[C@@H]2CCCCC2=O)c1 5359564 HKZNMXLXWWQISC-OAHLLOKOSA-N 301.415 3.488 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)OCCO2 5860033 ACBOWHGBDZWMLH-LLVKDONJSA-N 317.316 3.003 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)c2cccnc2n1 12254084 KWCNMPYDPIXDAQ-ZDUSSCGKSA-N 312.417 3.085 0 40 DGAB c1coc(-c2nc(NC[C@H]3CCCO3)ncc2-c2ccncc2)c1 12338395 OZUARUSVTBFDLG-CQSZACIVSA-N 322.368 3.390 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)COc1ccc(Cl)cc1 13169705 HAVPCVSUHPUSTF-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1cc(OC)cc(C(=O)NCCCc2ccc(C)cc2)c1 13613909 XTCOKMRAJLQQGE-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)N1CCCc2ccccc21 14006523 JJTGAQFQTMTTIG-CQSZACIVSA-N 311.381 3.442 0 40 DGAB CCn1cc(-c2cc(O)n3nc(-c4ccc(F)cc4)cc3n2)cn1 19525131 FXVRTJCRPIIJAD-UHFFFAOYSA-N 323.331 3.124 0 40 DGAB Cc1ccc(C(=O)Nc2c(Nc3ccccc3)n[nH]c2N)cc1 19772771 VBYHCLHIUQCLGP-UHFFFAOYSA-N 307.357 3.296 0 40 DGAB Cc1nn2c(ncc3c(=O)[nH]ccc32)c1-c1cccc(Cl)c1 19962552 ZZCNOUQHXAQQSX-UHFFFAOYSA-N 310.744 3.200 0 40 DGAB CC(=O)Oc1c(C)s/c(=N\c2cc(C)ccc2C)n1C(C)=O 5375741 NDXPAYSCDRKKKT-MSUUIHNZSA-N 318.398 3.293 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1ccccc1O2 2037985832 XSNFKOIVRBVKKJ-UHFFFAOYSA-N 304.390 3.261 0 40 DGAB CC(C)(C)n1ncc2c(=O)n(Cc3ccccc3Cl)cnc21 4166263 KWYACQGDHXHSKU-UHFFFAOYSA-N 316.792 3.050 0 40 DGAB CC(=O)Nc1ccc(Oc2ccc(NC(C)=O)cc2O)cc1 1848434418 GGRKOLJSWJAIOK-UHFFFAOYSA-N 300.314 3.101 0 40 DGAB in-vitro Cc1nc2ccccc2n1[C@H]1CCN(C(=O)c2ccsc2)C1 575615225 CDMHOLXXFLWPOH-AWEZNQCLSA-N 311.410 3.493 0 40 DGAB COc1cccc(/C=C2\CCn3c2nc(=O)c2ccccc23)c1O 5451545 IZLZJYQPXSYVFM-ACCUITESSA-N 320.348 3.055 0 40 DGAB O=C1N[C@@H](Cc2ccccc2)C(=O)N1Cc1ccc(Cl)s1 40159368 NTHOPFHTWZSMRL-LBPRGKRZSA-N 320.801 3.065 0 40 DGAB CC[C@@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O 246406 DHEATLGDFQKZLS-KRWDZBQOSA-N 322.474 3.324 0 40 DGAB C[C@@H]1[C@@H](OC(=O)CSc2nncs2)C[C@H]2C[C@H]1C2(C)C 102140483 HCDFNNFXTGQEET-ZDCRXTMVSA-N 312.460 3.244 0 40 DGAB CCOc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1 21786661 VIWNHEJBRJBWDU-UHFFFAOYSA-N 315.354 3.449 0 40 DGAB COc1ccc(C(=O)Cc2cc3ccccc3oc2=O)c(OC)c1 216805 IUVKYCAOOFHBTR-UHFFFAOYSA-N 324.332 3.236 0 40 DGAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1c(F)cccc1F 78710357 DFOWEJKHUSDQOI-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB CCO[C@@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 2024794 YWSOBIMUIPVQQM-KRWDZBQOSA-N 314.772 3.492 0 40 DGAB Nc1cc(N)c(C(=O)c2ccccc2)cc1C(=O)c1ccccc1 3145173 GSDOPSLIIMWICQ-UHFFFAOYSA-N 316.360 3.313 0 40 DGAB COc1ccc(Nc2nc3ccccc3c(=O)s2)c(OC)c1 554776 CWBSGESTNWSNGW-UHFFFAOYSA-N 314.366 3.417 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)cc1 530657 PBDBSDCEKUEYQO-HOTGVXAUSA-N 305.385 3.315 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)NCCCN1CCCCC1 10276922 SPGWMLHOAKORGF-JXMROGBWSA-N 306.837 3.345 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(F)cc1F 12321002 WBRYHRZJDCEOGD-HNNXBMFYSA-N 321.279 3.263 0 40 DGAB C[C@@H](NC(=O)NCCCn1cnc2ccccc21)c1ccccc1 54046674 WWGRJIMDXUIKBV-OAHLLOKOSA-N 322.412 3.487 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(C)cc2)c1 8356602 CFGMJVNZQMHPBM-AWEZNQCLSA-N 313.397 3.432 0 40 DGAB Cc1ccc(CC(=O)NCc2ccc(CN3CCCC3)cc2)cc1 8430588 BKWTVDXKPCYNJD-UHFFFAOYSA-N 322.452 3.450 0 40 DGAB CN(CCc1ccccn1)C(=O)C1(c2cccc(F)c2)CCC1 47629442 CLJKRPRXKVONNC-UHFFFAOYSA-N 312.388 3.344 0 40 DGAB O=C(CNc1ccc(F)c(F)c1F)NCCCc1ccccc1 24226634 SCQPZKDJODPQNK-UHFFFAOYSA-N 322.330 3.265 0 40 DGAB C[C@@H](c1cnn(C)c1)N(C)C(=O)c1ccc(F)c(Cl)c1F 97137710 ZPCGLXRBCKBGTM-QMMMGPOBSA-N 313.735 3.185 0 40 DGAB C[C@H]1CN(c2nc(C(F)(F)F)nc3ccccc23)C[C@@H](C)O1 12568191 DZQKIMHWWJRWQV-AOOOYVTPSA-N 311.307 3.262 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)CCc2c(C)noc2C)c1 55602424 FVXUXIUXBRFPAH-UHFFFAOYSA-N 316.401 3.036 0 40 DGAB CCOC(=O)Cc1cs/c(=N\C)n1-c1c(C)cc(C)cc1C 12504649 NMACAWILULBBDK-ZCXUNETKSA-N 318.442 3.100 0 40 DGAB Cc1cccnc1NC(=O)c1cnn(-c2ccccc2F)c1C 25391158 VNKCKGZGBBOCTE-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB C[C@H](NC(=S)N[C@H]1CCCc2c1cnn2C)c1ccccc1 44137715 QLIWWAJXXVHSNZ-WFASDCNBSA-N 314.458 3.023 0 40 DGAB CCOC(=O)c1ccc(Nc2ccc(N(CC)CC)nc2)nc1 58085314 KRMUCHZVIAKEKK-UHFFFAOYSA-N 314.389 3.243 0 40 DGAB COCCNC(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 58177880 YABCGRXIMOQMRJ-UHFFFAOYSA-N 305.205 3.174 0 40 DGAB CCn1ccnc1S[C@@H](C)C(=O)c1ccc(OC)c(OC)c1 58218397 KGOCXKGDBVLNBV-NSHDSACASA-N 320.414 3.284 0 40 DGAB COc1ccc(C(=O)Nc2ccc(-n3cccn3)cc2)cc1OC 27917725 DXRINIHXXDDYSB-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccccc1 20137344 JBYIKVPFEJHLQB-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1cccnc1Cl 3312310 IZLCEONLHVBXQJ-UHFFFAOYSA-N 319.744 3.303 0 40 DGAB CC(C)n1ncc2cc(NC(=O)Cc3ccsc3)cnc21 12789521 YKLSTLRQUHYSRK-UHFFFAOYSA-N 300.387 3.255 0 40 DGAB Cc1ccc(CC(=O)NCCCc2nc3ccccc3[nH]2)cc1 11486180 VLAIXVCYTNFJKW-UHFFFAOYSA-N 307.397 3.163 0 40 DGAB Cc1nc(OCC(=O)NCC2CCCCC2)c2ccccc2n1 3520071 HXZIKGRWLNKPPY-UHFFFAOYSA-N 313.401 3.014 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1nccs1 12940574 AWUSQGXLHKKYCO-AWEZNQCLSA-N 313.382 3.046 0 40 DGAB CC(C)c1nn(C)cc1CNCc1ccc(Cn2ccnc2)cc1 48711524 VPIFPMYNELTSHH-UHFFFAOYSA-N 323.444 3.078 0 40 DGAB CCOC(=O)CCC(=O)Nc1ccc(-c2nccs2)cc1 14182509 SNPFNAOQQKVKSD-UHFFFAOYSA-N 304.371 3.092 0 40 DGAB CCc1nnc(NC(=O)c2cccc(C(F)(F)F)c2)s1 5509213 KBOBTHHMCDHDFC-UHFFFAOYSA-N 301.293 3.372 0 40 DGAB CC1CCC(NC[C@@H](O)COCc2ccc(Cl)cc2)CC1 6626700 XNAUUUQEFOMMGM-QWFMPGPPSA-N 311.853 3.386 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1cccnc1 71283244 YGJNQCAVTHAAGL-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB Cc1ccc(NC(=O)c2cc(S(C)(=O)=O)ccc2C)c(C)c1 6946626 MQIGVIBKQOESOS-UHFFFAOYSA-N 317.410 3.268 0 40 DGAB O=C(Nc1c[nH]nc1-c1ccccn1)N[C@@H]1CCCc2occc21 93329858 FHCRVSXNBLAOFJ-GFCCVEGCSA-N 323.356 3.264 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2nsnc2c1 15841237 SGGNIZMLKAUMSM-SECBINFHSA-N 317.345 3.236 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCCc2ccccc21 7503464 HYCTVWRNUJZFOJ-ZDUSSCGKSA-N 305.381 3.437 0 40 DGAB Cc1ccc(C(=O)C(=O)Nc2nc3c(s2)CCCC3)cc1 9478266 UOKGIBFKYMJFGU-UHFFFAOYSA-N 300.383 3.152 0 40 DGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)N1CCCCCC1 7912695 GBIFOCUIEGAGGB-UHFFFAOYSA-N 317.364 3.211 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)NC(C)(C)CC)c1C 8128751 XPTAJXLQFUNKBQ-GFCCVEGCSA-N 308.422 3.158 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)N[C@H](C)c2cn(C)nc2C)c1 69226137 ULQWZYNFGVOPCI-ZIAGYGMSSA-N 314.433 3.467 0 40 DGAB COc1ccccc1CN(C)C(=O)c1cc2nc(C)ccc2o1 69491151 ORORWJZEVCQCCS-UHFFFAOYSA-N 310.353 3.417 0 40 DGAB CC[C@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 8403458 OXCOENFUYVCTEO-OAHLLOKOSA-N 320.396 3.191 0 40 DGAB Cc1ccc(C)c(N2CCN(C(=O)c3ccc(F)cc3)CC2)c1 72331213 YFNOSSGTBGZPPF-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB C[C@H](NC(=O)CC(F)(F)F)c1nc(-c2cccnc2)cs1 96405468 BAFNCBLAQNTRKH-QMMMGPOBSA-N 315.320 3.335 0 40 DGAB O=C(Nn1cn[nH]c1=S)c1cc2c(s1)CCCCCC2 9530702 BAOZCGABDUTQHI-UHFFFAOYSA-N 308.432 3.045 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2cccs2)c1 9501508 AODYDISGWSSVKV-UHFFFAOYSA-N 316.426 3.411 0 40 DGAB Cc1ccc(CN2C(=O)NC(C)(C)C2=O)c(OC(C)(C)C)c1 97232269 ZITWJPFJNIIQSK-UHFFFAOYSA-N 304.390 3.003 0 40 DGAB C[C@H](NCC1OCCO1)c1ccc(Oc2cccnc2)c(F)c1 97232312 OABWVXKKDOVDKE-LBPRGKRZSA-N 318.348 3.037 0 40 DGAB O[C@H](COCc1cccs1)Cn1cc(-c2ccccc2)cn1 95438730 ZMQZSZCPPSMOMP-INIZCTEOSA-N 314.410 3.189 0 40 DGAB Cc1ccc(CCC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)o1 95445933 KTDOCLHCUDGTOX-RDJZCZTQSA-N 305.418 3.063 0 40 DGAB Cc1cccc(C)c1CNC[C@H]1CCN(CC(F)(F)F)C1 95428445 NFUDUVDGZSWFRK-CQSZACIVSA-N 300.368 3.277 0 40 DGAB O=C(Nc1cccn(Cc2ccccc2)c1=O)[C@H]1CC=CCC1 88267838 GMNXFGJPSBWQLN-INIZCTEOSA-N 308.381 3.191 0 40 DGAB CN(C)C(=O)c1ccc(C(=O)NC(C)(C)C2CCCC2)cc1 95978978 KWUNWUVLBZJLDX-UHFFFAOYSA-N 302.418 3.087 0 40 DGAB COCc1nc(C)cc(Sc2ccc(C(F)(F)F)cn2)n1 75041365 POZQMCSYYXVTOR-UHFFFAOYSA-N 315.320 3.496 0 40 DGAB COc1cccc(C(=S)NCc2ccc(F)cc2)c1OC 408571360 AKPHPPFOQMOINF-UHFFFAOYSA-N 305.374 3.308 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)N1CCc2ccccc21 30865210 SXIYYYZPJLHOBX-GOSISDBHSA-N 311.381 3.442 0 40 DGAB CCC(=O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2 16249 QHTFEANXLNNBOX-UHFFFAOYSA-N 304.349 3.326 0 40 DGAB biogenic CSCc1ccc(Cl)c(NC(=O)N[C@H](C)[C@H](C)CO)c1 77715090 QMOMBKLQLXUYAZ-NXEZZACHSA-N 316.854 3.341 0 40 DGAB CN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCCN1C=O 72214530 PPXPVCQFVOPFKS-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB Cn1cc(CC(=O)Nc2nc3ccccc3n2C2CCCC2)cn1 76933595 PEKNAZJCZJFMCL-UHFFFAOYSA-N 323.400 3.066 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1 33189508 WCIQUPLJLMIALB-WOSRLPQWSA-N 317.385 3.003 0 40 DGAB CCOc1ccc(S(=O)(=O)NCc2cccc(C)c2)cc1C 30333559 IBNGCAMYPGEUBZ-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB C=Cc1ccc(CN2C(=O)[C@@H]3CCCN3c3ncccc32)cc1 72324304 OEHGEGHQMQYWNA-KRWDZBQOSA-N 305.381 3.240 0 40 DGAB Cn1ncc2c1N=C(O)C[C@H]2c1cccc(Oc2ncccn2)c1 49544834 XMOBSGPFKWWXBO-ZDUSSCGKSA-N 321.340 3.126 0 40 DGAB Cc1nc(CNC(=O)N2CCSC3(CCCCC3)C2)oc1C 89558465 QNDODEBKWQQLJY-UHFFFAOYSA-N 323.462 3.253 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)c2ccc(Cl)s2)c(C)o1 85561330 QKIZLPALJVUQEO-LLVKDONJSA-N 313.806 3.465 0 40 DGAB Cc1ccc2oc(-c3cc(Br)c[n+](C)c3)nc2c1 226774784 PGVHMBQVXUHLSB-UHFFFAOYSA-N 304.167 3.390 0 40 DGAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cn1 225889036 UUPQBXRUSMFYSL-GUYCJALGSA-N 306.406 3.404 0 40 DGAB Cc1ccccc1-c1cnc(NC(=O)C[C@H]2CCOC2)s1 96450225 KDPXPQDBLJHRQD-GFCCVEGCSA-N 302.399 3.484 0 40 DGAB CCCN1CCC[C@]2(CCC(=O)N2Cc2ccncc2)[C@H]1CC 96045698 WOVQBMJDOQRWCG-MJGOQNOKSA-N 315.461 3.227 0 40 DGAB CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(CN(C)C)cc1 96450632 VULODGWEZDNSRM-CVEARBPZSA-N 306.475 3.152 0 40 DGAB C[C@@H](Oc1ccc(OCc2cccc3cccnc23)cc1)C(N)=O 96428993 QERDRXMDYWPGAG-CYBMUJFWSA-N 322.364 3.066 0 40 DGAB Oc1nncc(N[C@H]2CCC[C@@H]2Cc2ccccn2)c1Cl 585098950 VOPCZHOGDQMTBL-PWSUYJOCSA-N 304.781 3.054 0 40 DGAB CC1(c2nccs2)CCN(C(=O)CCc2cccnc2)CC1 257339220 ZATOTOINYTXEEW-UHFFFAOYSA-N 315.442 3.051 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257254371 KCTPXKRPXXXRFD-SFHVURJKSA-N 321.424 3.359 0 40 DGAB O=C(c1cccnc1)N1CCCC[C@@H]1c1ncn2ccsc12 585178916 OOHJSIBZAKWZMA-CYBMUJFWSA-N 312.398 3.158 0 40 DGAB Cc1ccc(NC(=O)N2CCC(Nc3cccnc3)CC2)cc1 62639916 POSVCTZSTLZGSW-UHFFFAOYSA-N 310.401 3.498 0 40 DGAB CCCc1noc(CCC(=O)N2CCC[C@@H]2c2ccsc2)n1 60535842 DPAAYGGYEIBDLO-CYBMUJFWSA-N 319.430 3.380 0 40 DGAB COC[C@H](NC(=O)c1cccc2ncccc12)c1ccc(C)o1 76093502 RVCAXLRJDGEXDU-INIZCTEOSA-N 310.353 3.254 0 40 DGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCCN1C 19219862 CNFMLIPHTBBREQ-LBPRGKRZSA-N 324.346 3.423 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC=CC[C@H]1NC(=O)OC(C)(C)C 5714380 IBBVWOZAKKWMOG-VXGBXAGGSA-N 312.410 3.123 0 40 DGAB c1ccc(CN2CCC[C@H](c3nc(-c4cccnc4)n[nH]3)C2)cc1 12115736 NESMGWJEJUYHGW-KRWDZBQOSA-N 319.412 3.246 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)c1C 9365386 LYHSCSXLQIZETA-LSDHHAIUSA-N 302.418 3.486 0 40 DGAB CCN(C)[C@@H]1CN(C(=O)c2scnc2C)C2(CCCCC2)C1 19704926 LNDDEYLJIJCKKH-AWEZNQCLSA-N 321.490 3.321 0 40 DGAB COc1ccc2[nH]c(CN3CC[C@@H](c4nc(C)cn4C)C3)cc2c1 1848352249 UPJFOTCHZGRIDN-CQSZACIVSA-N 324.428 3.208 0 40 DGAB O=C(NCCc1ccccc1)c1ccc(C(=O)c2ccccc2)o1 51290 RSURSXLSAJKOGB-UHFFFAOYSA-N 319.360 3.483 0 40 DGAB Cc1cc(NC(=O)C2CC2)n(-c2nc3c(F)cccc3s2)n1 21685400 IOMHBWQSUVWCLO-UHFFFAOYSA-N 316.361 3.278 0 40 DGAB C[C@@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)C1CC1 225619147 BPRGJXIOZYRMJT-QGZVFWFLSA-N 301.411 3.306 0 40 DGAB COc1ccc([C@H]2CCCCCN2CCN2CCCC2=O)cc1 32916352 RCDNUXRKGFSYMB-GOSISDBHSA-N 316.445 3.235 0 40 DGAB C[C@H]1CCCN(S(=O)(=O)N[C@@H](C)c2cc3ccccc3o2)C1 40105056 UZPWFZXHYBVLCY-STQMWFEESA-N 322.430 3.060 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](NC[C@@H](C)c3ccccc3)C2=O)cc1 183104 YWJWWPVGOBPONZ-QAPCUYQASA-N 322.408 3.020 0 40 DGAB COc1c(Cl)cc(C(=O)Nc2cc(C)nn2C)cc1Cl 40512249 XACBOOQTBNHTHC-UHFFFAOYSA-N 314.172 3.296 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2)c(C)c1 40525364 XKIQKHLREHIMLT-INIZCTEOSA-N 302.349 3.298 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CCn1c(=O)sc2ccccc21 245898 WAJXCAKTLUJXNW-OLZOCXBDSA-N 318.442 3.148 0 40 DGAB O=C(NCC(F)(F)F)c1cc2cccc(Br)c2o1 32924522 BRLLIIXZQYKQKP-UHFFFAOYSA-N 322.080 3.487 0 40 DGAB CCN1C(=O)c2cccc3c(NC(=O)c4ccncc4)ccc1c23 46805 VPFPPKWZEFICIV-UHFFFAOYSA-N 317.348 3.467 0 40 DGAB NC(=O)CSc1nnc(-c2ccccc2)n1C1CCCCC1 410675 XUXQVTRZRHFAQS-UHFFFAOYSA-N 316.430 3.028 0 40 DGAB Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(C)cc2O)c1 512920 CJQFIQKNWLHVEM-UHFFFAOYSA-N 314.410 3.444 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 21818785 GDKGOBFVAGAFBN-LBPRGKRZSA-N 312.369 3.337 0 40 DGAB CC1CCN(Cc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1 3571942 WXMSQTIVGJRSPW-UHFFFAOYSA-N 317.458 3.095 0 40 DGAB CCS(=O)(=O)Nc1cccc(-c2nc3cccnc3s2)c1 4036367 CDUINWOOVPUVHB-UHFFFAOYSA-N 319.411 3.120 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(C)cc2)c1C 4549626 HWGBAAPCUCQZKC-UHFFFAOYSA-N 315.369 3.474 0 40 DGAB Cc1cc(C)nc(N(C#N)CC(=O)c2c(C)[nH]c3ccccc23)n1 539280 GRWLWDBIOUDNAJ-UHFFFAOYSA-N 319.368 3.054 0 40 DGAB CC[C@@H](CCNC(=O)c1cccs1)NC(=O)c1cccs1 6554930 QENAEAMNLDZFKC-NSHDSACASA-N 322.455 3.138 0 40 DGAB Cc1c(Cl)c(C(F)F)nn1[C@H](C)C(=O)Nc1nccs1 2781622 NVHVEMKXWBNGRX-ZCFIWIBFSA-N 320.752 3.439 0 40 DGAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@H]2CCC[C@@H]21 53380522 PACBPVCFRSNFOX-STQMWFEESA-N 305.374 3.434 0 40 DGAB OC1=C2Nc3ccccc3N=C2O[C@@H]1c1ccc2c(c1)OCO2 103874983 HKGGOCLRLZTOHF-MRXNPFEDSA-N 308.293 3.412 0 40 DGAB O=C(c1csc(-c2cccs2)n1)N1CCO[C@H]2CCC[C@@H]21 53379645 FKJOAPDPLITQLG-RYUDHWBXSA-N 320.439 3.265 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1cc(Cl)c2c(c1)OCCO2 22385398 JORJQIFJQIHKDM-UHFFFAOYSA-N 307.777 3.030 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)c(C)c1 9232563 UQHZZDXWRUMAQB-OAHLLOKOSA-N 310.397 3.162 0 40 DGAB CN1CCC[C@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 9876414 JENDQUDNNUZUJU-SNVBAGLBSA-N 315.845 3.107 0 40 DGAB CC[C@@H](Oc1cccc2cccnc12)C(=O)Nc1cc(C)on1 9449996 ZEENEEKKCZHUEA-CYBMUJFWSA-N 311.341 3.327 0 40 DGAB CC(C)CC(=O)Nc1cccnc1-n1cc(Br)cn1 61722194 HTOIGTZYNCSKBG-UHFFFAOYSA-N 323.194 3.014 0 40 DGAB CN(Cc1c(F)cccc1Cl)Cn1c(=O)[nH]c2ccccc21 25685713 YZZZFWJRNWDSBS-UHFFFAOYSA-N 319.767 3.212 0 40 DGAB CC(C)Cn1c([C@H](C)NC(=O)c2ccccc2)n[nH]c1=S 57291876 QVTAMVLQTYNIQS-NSHDSACASA-N 304.419 3.088 0 40 DGAB COc1ccc(OC)c(CC(=O)N[C@H](C)c2ccc(F)cc2)c1 22540245 CFAPUWUKHLYHAC-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB COc1cccc(OS(=O)(=O)c2ccc(C)cc2Cl)c1 25365891 ZJUGXYVISSJONR-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB O[C@@]1(c2ccccc2)C[N+]2=C(CCCCC2)N1c1ccccc1 1909515 TURYAWBUPILHGL-HXUWFJFHSA-N 307.417 3.337 0 40 DGAB Cc1cccc(OCCSCC(=O)Nc2cc(C)on2)c1 57985967 SFLUCRKQUBDWRS-UHFFFAOYSA-N 306.387 3.042 0 40 DGAB CC(C)O[C@H]1O[C@@H](OC(C)C)[C@H](OC(C)C)O[C@H]1OC(C)C 104332769 GMBSISAMOWPLPY-FPCVCCKLSA-N 320.426 3.038 0 40 DGAB C[C@H]1C[C@@H]1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3234946 ONHSFRKWIVDFCI-YOEHRIQHSA-N 323.392 3.091 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1)c1ccccc1F 10260924 OBPWZPUEUVMYEF-MRXNPFEDSA-N 324.359 3.470 0 40 DGAB C[C@H](Sc1nncs1)C(=O)N[C@H]1CCCc2ccccc21 3346797 RLSPRJHWYIOXSR-GWCFXTLKSA-N 319.455 3.213 0 40 DGAB Cc1ccc(S(=O)(=O)NC2CCC(C(F)(F)F)CC2)cc1 12766245 ZUBYLOGWZJSBMC-UHFFFAOYSA-N 321.364 3.394 0 40 DGAB COCCNC(=O)c1ccc(SCc2csc(C)n2)cc1 12803596 XSHBPXLTCGRBDE-UHFFFAOYSA-N 322.455 3.120 0 40 DGAB Cc1ccc(NC(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 3502119 ZBNKELCMEJMWFZ-CYBMUJFWSA-N 316.184 3.061 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1cccs1 12996870 BELZUNQYDSKKTO-CMDGGOBGSA-N 309.394 3.263 0 40 DGAB CCCOc1cc(C)c(Cl)cc1S(=O)(=O)NCC(C)C 72414546 HMRFLBKJWYAVIE-UHFFFAOYSA-N 319.854 3.372 0 40 DGAB Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1 3885348 LNRXTKNBQCSDLR-UHFFFAOYSA-N 316.304 3.088 0 40 DGAB N=C1SCC(=O)N1c1ncc(Cc2cccc(Cl)c2)s1 4112589 BDMKQYJFAWVQOA-UHFFFAOYSA-N 323.830 3.402 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@H]1CC=CC[C@H]1C(=O)O 6125537 OYCVZLJRWLWZNI-LSDHHAIUSA-N 301.386 3.417 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C 65465539 WOPVLMDOODVFFF-HUUCEWRRSA-N 317.433 3.322 0 40 DGAB CCN1CCc2ncnc(N3CCC[C@@H]3c3cccs3)c2C1 65487587 PWPLADAFDNWLNK-OAHLLOKOSA-N 314.458 3.258 0 40 DGAB CC(C)CCN(C)C(=O)c1cnc2c(cnn2CC(C)C)c1 65588564 VRIYBBRDFABLMO-UHFFFAOYSA-N 302.422 3.205 0 40 DGAB COc1cccc(CSc2nc3ccsc3c(=O)n2C)c1 14142186 KLSDDPXIWKXXQI-UHFFFAOYSA-N 318.423 3.296 0 40 DGAB O=C1C(=O)N(CCCOc2ccccc2)c2ccc(Cl)cc21 4539465 CFAQAIYNPNFWSW-UHFFFAOYSA-N 315.756 3.338 0 40 DGAB O=c1c2ccccc2cnn1Cc1cc(-c2cccs2)on1 14224220 ZBHCWUISGLSYGN-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)N=c1[nH]c2ccccc2[nH]1 6506981 ZAQYTHSCIKKCRH-UHFFFAOYSA-N 320.179 3.473 0 40 DGAB O=C(CCCOc1ccccc1)Nc1nc2c(s1)CCC2 6597870 UBFREGNCSHTDCT-UHFFFAOYSA-N 302.399 3.430 0 40 DGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](Cc2ccccc2)N1 4718969 HWVBMNPLBQARLT-IAGOWNOFSA-N 306.365 3.051 0 40 DGAB biogenic CC1=CC[C@H](C(=O)Nc2nc3ccccc3s2)[C@@H](C(=O)O)C1 4713587 VOKRAUZDTBXLAD-QWRGUYRKSA-N 316.382 3.292 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](C)OC[C@@H]1C 71185312 YLBCBWUHVPZFHJ-NWDGAFQWSA-N 316.426 3.368 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)NCc1cccc(Cl)c1 6914151 FIJFBURIVHGHMF-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Clc1cc(NCc2cn3ccccc3n2)ccc1-n1cncn1 84492198 GHYCREUMEYIXQS-UHFFFAOYSA-N 324.775 3.181 0 40 DGAB Cc1cc(C)c(CNC(=O)c2ccc3ccccc3c2)c(=O)[nH]1 7117960 BVJLKBGGZBZHEJ-UHFFFAOYSA-N 306.365 3.075 0 40 DGAB COc1ccc(-c2nc(CNC(=O)CC(C)C)cs2)cc1 15832746 ABOHMQGZPJSSAE-UHFFFAOYSA-N 304.415 3.481 0 40 DGAB Cc1nc(Sc2nnc(C3CC3)n2C2CC2)c2cc[nH]c2n1 80766198 BMIKVEKTMMXRFB-UHFFFAOYSA-N 312.402 3.221 0 40 DGAB CCN(CC(=O)NC(C)(C)C)c1ncnc2sc(C)c(C)c12 7984391 IMXUQONOOLCXIM-UHFFFAOYSA-N 320.462 3.049 0 40 DGAB NC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)cc2F)c1 7970587 NWPAFWYPPYLVBH-UHFFFAOYSA-N 307.712 3.222 0 40 DGAB Cn1cc(C(=O)Nc2ccc(OCc3ccccc3)cc2)cn1 7910999 WNOKCPAGKKYSJG-UHFFFAOYSA-N 307.353 3.251 0 40 DGAB CCOC[C@@H]1CCN(C(=O)NCc2c(C)cc(C)cc2C)C1 81489418 XLQFAZHHVLRALI-MRXNPFEDSA-N 304.434 3.180 0 40 DGAB Fc1ccc(Nc2nnc(Sc3ncccn3)s2)cc1 25064148 XAYDICNWGIGLQE-UHFFFAOYSA-N 305.363 3.362 0 40 DGAB C[C@H](c1ncc(-c2ccccc2)o1)N1CCC(c2nc[nH]n2)CC1 83424629 HIGOBGWUIDFDNH-CYBMUJFWSA-N 323.400 3.400 0 40 DGAB CNc1cc(C(=O)N(C)[C@H](C)CSC)c2ccccc2n1 96444759 LUIBVRUDUBETCL-LLVKDONJSA-N 303.431 3.100 0 40 DGAB Cc1cc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)on1 69528334 IUWBNSRMLIQEBP-UHFFFAOYSA-N 302.349 3.217 0 40 DGAB COc1cccc(N2CC[C@@H](CNC(=O)C[C@H](C)C3CC3)C2)c1 69586945 XASSGDASAQCYNW-GJZGRUSLSA-N 316.445 3.074 0 40 DGAB CCC(=O)N1CCC[C@@H]1[C@H]1CCCN1c1nc2ccccc2o1 69601386 LMWMPQOOQIVMIA-HUUCEWRRSA-N 313.401 3.198 0 40 DGAB Cc1cc(CS[C@H](C)C(=O)N(C)Cc2ccccc2)no1 71818639 UDVBBQMGYUZWAD-CYBMUJFWSA-N 304.415 3.263 0 40 DGAB COc1ccc(CN2CCCN([C@@H]3CC[C@H](C)C3)CC2)cc1 95455303 NJINLYLLAGYQDW-FUHWJXTLSA-N 302.462 3.392 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NC[C@@H](O)c1ccco1 95419740 YYMOHOUTQOEVLE-WCQYABFASA-N 302.399 3.144 0 40 DGAB O=C1N[C@H](c2ccccc2Br)Nc2ccccc21 9737683 FQGFFRUYSHLDDP-CYBMUJFWSA-N 303.159 3.303 0 40 DGAB C[C@H](N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1)C1(C)CC1 95977771 JNDNLJBWLTWPMX-ZDUSSCGKSA-N 321.440 3.217 0 40 DGAB Cc1cccc(OC[C@@H](C)NC2CCN(CC(F)F)CC2)c1 95967393 ZMXMBDMVVBJRMA-CQSZACIVSA-N 312.404 3.081 0 40 DGAB COC(C)(C)C[C@@H](C)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984027 UFHGTAZCULRERM-BXUZGUMPSA-N 322.453 3.077 0 40 DGAB CCC1(NC(=O)c2cnn(-c3ccccc3F)c2C)CCC1 75092472 NJMSUNOGTYRDHO-UHFFFAOYSA-N 301.365 3.382 0 40 DGAB C[C@H](CC(=O)c1ccccc1)NC(=O)CCc1ccsc1 89894618 GDRXLCCKJSXFHZ-CYBMUJFWSA-N 301.411 3.458 0 40 DGAB O=C(NCCCc1nc2ccccc2s1)NC1CC=CC1 89875066 FTXMDKCMPUVJNT-UHFFFAOYSA-N 301.415 3.247 0 40 DGAB COc1cccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c1 25375610 QFIZQEDQLQDVHA-UHFFFAOYSA-N 324.380 3.070 0 40 DGAB COc1ccc2c(CN(C)Cc3ccccc3)cc(=O)oc2c1 61997700 BYJOZLRCKIHBAS-UHFFFAOYSA-N 309.365 3.434 0 40 DGAB biogenic C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cnn(C)c1 189493966 KJLJSOQFCYPYCZ-WBMJQRKESA-N 305.809 3.036 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1C[C@H]2CC[C@@H]1C2 73955616 FXQVPKZHZRWGSL-JZXOWHBKSA-N 313.441 3.287 0 40 DGAB c1csc(-c2n[nH]cc2CN2CCC[C@@H](c3ccn[nH]3)C2)c1 121204614 PJJFSXWVZJEKPW-GFCCVEGCSA-N 313.430 3.241 0 40 DGAB Cc1ccc(N2C(=O)Nc3ccccc3S2(=O)=O)cc1Cl 6918359 AYBDOVILQMBYFN-UHFFFAOYSA-N 322.773 3.389 0 40 DGAB CC(=O)N1CCC[C@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378189 CCWSHYXSPPYHCT-QGZVFWFLSA-N 324.428 3.411 0 40 DGAB COc1ccc(Nc2nc(C(C)(C)C(=O)O)cs2)cc1OC 78404233 RAWMEWKLRXVOPE-UHFFFAOYSA-N 322.386 3.266 0 40 DGAB CCN1CCN(C(=O)c2cc(-c3cccs3)cs2)CC1 72243216 CALLFUHCLRIPQS-UHFFFAOYSA-N 306.456 3.254 0 40 DGAB NC(=O)COc1ccc(-c2nc3cc(Cl)ccc3o2)cc1 226295289 LMILCPBMBZUAAM-UHFFFAOYSA-N 302.717 3.012 0 40 DGAB CCN(CC)CCCOc1ccc(NC(=O)C(F)(F)F)cc1 225587048 QDTAPUFXMPCNIM-UHFFFAOYSA-N 318.339 3.298 0 40 DGAB O=C(Nc1cc(Cl)ccc1F)NC1CCC(C(=O)O)CC1 40574301 CMKVJSWTARQPNP-UHFFFAOYSA-N 314.744 3.244 0 40 DGAB COc1ccc(NC(=O)c2cnc(C3CC3)nc2)cc1Cl 222597743 KCNJQSWQIRUHRA-UHFFFAOYSA-N 303.749 3.268 0 40 DGAB Cc1noc(C)c1N(C)C(=O)Cc1cccc(Br)c1 96448299 NHQRNAUCYSTUCY-UHFFFAOYSA-N 323.190 3.259 0 40 DGAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1cscn1 96476847 PAYOMHOZCPVCFQ-LLVKDONJSA-N 300.305 3.047 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)CSc2ccncc2)C1 96451427 CHVVYYCDYDBPAK-TZMCWYRMSA-N 310.488 3.354 0 40 DGAB CCOC(=O)[C@@H]1c2ccc(O)cc2CCN1c1ccc(F)cc1 95917923 PGVDFSLJWHAZSB-KRWDZBQOSA-N 315.344 3.198 0 40 DGAB COCc1ccc(C(=O)NC[C@H](C)Oc2ccc(Cl)cc2)o1 96431990 KLRASRHHESWVFN-NSHDSACASA-N 323.776 3.277 0 40 DGAB Cc1nccc([C@@H]2CCCN(c3cc(C(C)(C)C)ncn3)C2)n1 585097891 BDMUPJQPZRFKOE-CQSZACIVSA-N 311.433 3.257 0 40 DGAB c1ccc2c(CN3CCC[C@H](Cc4ccn[nH]4)C3)ccnc2c1 257243614 IHUIGLHXQMDUSZ-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB COc1cc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)ccc1F 257322790 WHKFTAWIGJYEIX-RKTXRCNFSA-N 321.392 3.359 0 40 DGAB COc1ccc(CCCNC(=O)N[C@@H](C)c2ccccn2)cc1 56489031 WKFNJKOEDRCSBZ-AWEZNQCLSA-N 313.401 3.083 0 40 DGAB C[C@H](NC(=O)CSC[C@@H](O)c1ccccc1)c1ccccc1 60128297 JBPDTOXKZABCGD-WMLDXEAASA-N 315.438 3.331 0 40 DGAB Cc1cnn(-c2ccccc2)c1NC(=O)c1cc(C(C)C)n(C)n1 84265410 GLRACABVZHQBFK-UHFFFAOYSA-N 323.400 3.290 0 40 DGAB COc1cc2c(cc1OC)CN(Cc1csc(C)n1)CC2 194267303 PAKNJAVNXDUAMX-UHFFFAOYSA-N 304.415 3.027 0 40 DGAB CCOC(=O)C1CCN(C(=O)/C=C/c2ccccc2Cl)CC1 579355 KRIKTDGBLOSQLS-BQYQJAHWSA-N 321.804 3.155 0 40 DGAB Nc1cc(-c2cc(Br)cc(Br)c2)[nH]n1 222432693 OCVRBHKXKBZUDS-UHFFFAOYSA-N 316.984 3.184 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)Cc1cccs1 5786742 JCEGWHBHQVUDNQ-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB O=C(CCN1CCc2ccccc21)Nc1ccnn1C1CCCC1 12743877 RLKNNBYTFQFMED-UHFFFAOYSA-N 324.428 3.390 0 40 DGAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1C[C@H]1CCCO1 13637341 CPLOANZJHCRSEC-OAHLLOKOSA-N 324.355 3.382 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccc3ccccc3c2)c1 10025882 DDYCMRSWQMDCFU-UHFFFAOYSA-N 304.349 3.452 0 40 DGAB O=C(Nc1cccc(Br)c1)c1cc(C2CC2)ncn1 1888863881 TXDYFWVTCUBVBR-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB Cc1cc(CN(C)C(=O)c2c(-c3ccccc3)noc2C)no1 25137064 MYXPZMJACPSSLN-UHFFFAOYSA-N 311.341 3.219 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cccc(OC[C@H]2CCCO2)c1 31263948 XKUKYUQGJVWQMF-OAHLLOKOSA-N 316.357 3.102 0 40 DGAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)c2ccsc2)C1 575615233 CDMHOLXXFLWPOH-CQSZACIVSA-N 311.410 3.493 0 40 DGAB Cc1csc(C(=O)NC[C@@H](O)c2ccc3c(ccn3C)c2)c1 245093436 RNHNFWNMHQOTAZ-OAHLLOKOSA-N 314.410 3.012 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)CSCc1ccccc1 75155234 IMRBXSMEFYCCDL-CQSZACIVSA-N 321.467 3.140 0 40 DGAB COc1cc(C=O)ccc1OCCCCN1CCC[C@@H](C)C1 217797155 QAAXXPBOMJSCQO-OAHLLOKOSA-N 305.418 3.399 0 40 DGAB CC(C)c1ccc(CN2CCN(C(=O)c3ccccn3)CC2)cc1 40162192 UUPJPLOENQNNTM-UHFFFAOYSA-N 323.440 3.163 0 40 DGAB CCCc1ccc(OCC(=O)Nc2nnc(CCC)s2)cc1 148466 LDIMRSAEKQJJEI-UHFFFAOYSA-N 319.430 3.461 0 40 DGAB Cc1c(C(=O)N2CCSCC2)cnn1-c1ccc(Cl)cc1 40542216 YBTHMOJBBNVRDC-UHFFFAOYSA-N 321.833 3.023 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)cc1 32750139 RJSYQSAKVPGYCM-MRXNPFEDSA-N 310.353 3.004 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2nccc3ccccc23)cc1 32873631 SMQJMXIBDFXNSE-UHFFFAOYSA-N 319.364 3.123 0 40 DGAB O=C(NC(=O)C(F)(F)F)Oc1ccc(Cl)cc1Cl 108012 USQDGNSQQSDPFM-UHFFFAOYSA-N 302.035 3.171 0 40 DGAB CCCN(CC1CC1)C(=S)Nc1ccc(C(=O)OC)cc1 414619 JSKZALGOWZCKIP-UHFFFAOYSA-N 306.431 3.292 0 40 DGAB CN1C(=O)/C(=C/c2coc3ccccc23)N=C1N1CCCCC1 77024361 RUFCZVFJNZNZPV-PTNGSMBKSA-N 309.369 3.088 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H]1C[C@H](O)c1ccccc1 78935636 SQUIMNQOQPBDMM-CABCVRRESA-N 316.426 3.180 0 40 DGAB CCO[C@@H](C)C(=O)N1CCC(Oc2ccc(C)c(C)c2)CC1 79271310 UPBZTGMYSLMTKC-HNNXBMFYSA-N 305.418 3.098 0 40 DGAB Cc1c(C(=O)OCC(=O)N2CCC(C)CC2)oc2ccccc12 3537331 MCKMBBZAFQHZFA-UHFFFAOYSA-N 315.369 3.157 0 40 DGAB CCCc1nnc(CSc2nnc(Cc3ccccc3)o2)o1 4998589 QAMRELCAHVUEND-UHFFFAOYSA-N 316.386 3.288 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1cc2ccccc2oc1=O 2772488 KPBFBKCQMOKKOT-UHFFFAOYSA-N 301.248 3.324 0 40 DGAB COc1ccc(CC(=O)NCc2ccccc2Cl)c(OC)c1 8304068 KCPWKKCBSOQAEA-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB COc1cccc(CNc2nnc(-c3cccs3)o2)c1OC 97114546 HAVHOKBYNIJSPT-UHFFFAOYSA-N 317.370 3.427 0 40 DGAB COc1ccc(Cc2nnc(NC(=O)CC(C)C)s2)cc1 1298589 VAXALLJWNMEFGY-UHFFFAOYSA-N 305.403 3.122 0 40 DGAB Cc1ccc(-n2ncc(C(=O)NCc3ccccc3)c2C)cc1 24864430 QNKPYHMGFGMSCS-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB CC(C)N(CCO)C(=O)Nc1cc(-c2ccco2)ccc1F 97113320 RRQIZWOZVQPYBS-UHFFFAOYSA-N 306.337 3.320 0 40 DGAB Cc1ccc(C(=O)C(=O)Nc2cc(F)c(N(C)C)c(F)c2)cc1 55953419 LTYRFJAYAKBIJY-UHFFFAOYSA-N 318.323 3.161 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@H]1C2)N1CCC([C@H](O)c2ccccc2)CC1 107311554 DKLWLGFFQUNVMW-UDTPNQRGSA-N 313.441 3.395 0 40 DGAB c1ccc(Nc2ccc(Oc3ccc4nnnn4n3)cc2)cc1 12534206 YHKLMARWJCDRPL-UHFFFAOYSA-N 304.313 3.055 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1c(Cl)cccc1Cl 3237099 RLFQRSYQDMUJEF-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB CCc1noc([C@H](C)N(C)Cc2nc3ccccc3s2)n1 58007681 FMQKBDWZGVLHRH-JTQLQIEISA-N 302.403 3.435 0 40 DGAB COc1ccc(-c2cc(=O)n(-c3cccc(C)c3)[nH]2)cc1OC 10157376 SNABOLIQDZIZRI-UHFFFAOYSA-N 310.353 3.158 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cn[nH]c1-c1ccccc1 72328827 QULUHTVBKHTUNY-QGZVFWFLSA-N 303.365 3.494 0 40 DGAB CC(C)COc1ccccc1NC(=O)N(C)Cc1cnn(C)c1 48117806 QVWVNYVNBFXLPR-UHFFFAOYSA-N 316.405 3.119 0 40 DGAB COC(=O)c1c(C)nn(-c2nc3ccc(C)cc3s2)c1C 57351353 XPZPQQQTMKNIRJ-UHFFFAOYSA-N 301.371 3.194 0 40 DGAB CC[C@@H](C(=O)NC[C@@H]1CCCN(C(C)C)C1)c1ccccc1 58264633 HIMOYBIFLOMJKH-FUHWJXTLSA-N 302.462 3.417 0 40 DGAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccncc1 27922465 NQUQLRWRYHRYJL-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB CN(C(=O)OC(C)(C)C)[C@H](C(=O)O)C(C)(C)c1ccccc1 38265802 ZWQAFCGLXUTMKH-CYBMUJFWSA-N 307.390 3.284 0 40 DGAB OC1CCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 18057625 YDGOXPRBZBFHMM-UHFFFAOYSA-N 305.381 3.258 0 40 DGAB COc1cccc([C@@H]2C[C@H](c3ccccc3)n3ncnc3N2)c1 13132245 PXDBNEQWOSGLRQ-DLBZAZTESA-N 306.369 3.433 0 40 DGAB aggregator O[C@H](CNCc1cccc(Oc2ncccn2)c1)c1ccccc1 13731638 PKELWPLYUJVFEW-GOSISDBHSA-N 321.380 3.092 0 40 DGAB C[C@H](NC(=S)NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13819665 YWUKMSOMQPWLIP-ZHGJIWRESA-N 322.518 3.234 0 40 DGAB CC[C@@H]1c2ccsc2CCN1c1ncnc2c1CN(C)CC2 65473941 JXBSPDGOSNJLMH-OAHLLOKOSA-N 314.458 3.040 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 6540987 WOECZNYDFVGOAM-CQSZACIVSA-N 306.369 3.067 0 40 DGAB C[C@]1(c2ccc(Cl)cc2)NC(=O)N(Cc2ccccc2)C1=O 6654252 ZIQNXTQZFLQEMH-QGZVFWFLSA-N 314.772 3.307 0 40 DGAB COc1cc2c(c(OC)c1)[C@H](c1cc(F)cc(F)c1)CC(=O)N2 6820109 VXQDABSPZPIHAO-ZDUSSCGKSA-N 319.307 3.456 0 40 DGAB C[C@H](CCc1ccccc1)NCc1nc(=O)c2sccc2[nH]1 6908567 VHKCVCQVFPRRCK-GFCCVEGCSA-N 313.426 3.096 0 40 DGAB CC[C@H](C)n1ncc(C(=O)Nc2cnccc2OC)c1C1CC1 90011866 BFXIGGBPMRPLGQ-NSHDSACASA-N 314.389 3.387 0 40 DGAB Cc1cc(Sc2ccccc2)ccc1NC(=O)NCCO 69184690 WJVIKXIPKFBSMV-UHFFFAOYSA-N 302.399 3.260 0 40 DGAB O=C(CCc1ccsc1)Nc1ccc2c(c1)OCCCO2 8404270 KAUYPCGSQNLPHI-UHFFFAOYSA-N 303.383 3.481 0 40 DGAB CSC1(CNC(=O)c2cc3ccccc3o2)CCOCC1 96425598 QOGYPMDIUWBSRL-UHFFFAOYSA-N 305.399 3.075 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(N3CCCC3)nc2)c2ccccc21 71874828 NKEFYVLJCIJHIY-AWEZNQCLSA-N 307.397 3.446 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cc(C)on1)[C@H](C)C2 96500406 ZVVWPGMHNBXGAL-PXAZEXFGSA-N 313.401 3.366 0 40 DGAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1nccs1 72405326 SHNDDGSZFQGEJP-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB COc1cc(CN[C@@H](CN(C)C)c2ccccc2)cc(OC)c1 96971432 AJPGNIGEUQHKEO-IBGZPJMESA-N 314.429 3.096 0 40 DGAB COC(=O)c1cc(NCc2c[nH]nc2-c2cccnc2)ccc1C 97048920 QGVOXFVJTHJQCH-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc(C)cs2)cn1 72273847 XDZJZBZZQTXNJF-OAHLLOKOSA-N 315.442 3.451 0 40 DGAB CC(C)CC[C@H]1CCCCN1C(=O)CCn1ccccc1=O 84510255 ANDKLTUMZAYJET-MRXNPFEDSA-N 304.434 3.056 0 40 DGAB COc1cc(CNC[C@H]2CCO[C@@H](C)C2)cc(Cl)c1OC 95457718 STTWXGBGCLCVGD-RYUDHWBXSA-N 313.825 3.262 0 40 DGAB CCc1ccsc1CNC(=O)N[C@@H](C)C[C@@H](O)c1ccco1 95413615 MDUVESYOOZFATF-WCQYABFASA-N 322.430 3.215 0 40 DGAB CC(C)(C)SCCCC(=O)N1CCC[C@H](c2cn[nH]c2)C1 95436014 BOJWNTFCIXZBGX-ZDUSSCGKSA-N 309.479 3.428 0 40 DGAB COCc1nnc(-c2cccc(-c3nc(CC(C)C)no3)c2)o1 95988636 WFETWLXZLAXUKS-UHFFFAOYSA-N 314.345 3.132 0 40 DGAB C[C@@H](CN(C(=O)c1cc2c(F)cccc2s1)C1CC1)C(=O)O 95991927 WZAMNLBORNACDY-VIFPVBQESA-N 321.373 3.366 0 40 DGAB CO[C@@]1(C)C[C@@H](N(C)C(=O)Cc2noc3ccccc23)C1(C)C 75295420 RVUZRPGEQNPANG-QAPCUYQASA-N 316.401 3.032 0 40 DGAB O=C(CCc1cccc(F)c1F)N1CC[C@@]2(O)CCCC[C@@H]2C1 89768152 QTKIWXHHMBBEMF-KDOFPFPSSA-N 323.383 3.051 0 40 DGAB Cc1ccnc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1 68038268 SEPVBHVHLAOVSF-UHFFFAOYSA-N 316.304 3.210 0 40 DGAB CC(C)CC(=O)Nc1ccn(Cc2cccc3cccnc23)n1 61315336 HTENYFWDHFDXFV-UHFFFAOYSA-N 308.385 3.464 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 32610795 RQXOVMWKVOUCSL-VIFPVBQESA-N 309.797 3.323 0 40 DGAB O=C(Nc1nnc(-c2ccsc2)s1)[C@H]1CC12CCOCC2 531361228 RUUMAYDQDSXNDM-SNVBAGLBSA-N 321.427 3.022 0 40 DGAB Cc1c(N)c(Br)cc2nn(-c3ccc(F)cc3)nc12 73740173 YNMHHBWILOIZKT-UHFFFAOYSA-N 321.153 3.213 0 40 DGAB CN1Cc2ccccc2[C@@H]1CNC(=O)c1ccc2cnccc2c1 1535621403 ZTKGRDYMSYWUTE-IBGZPJMESA-N 317.392 3.151 0 40 DGAB CCCN(CCC)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 36393848 ZBMGNDFKCPIARX-KPKJPENVSA-N 314.429 3.241 0 40 DGAB Cc1cc([C@@H]2CCCCN2CC(C)C)cnc1N1CCOCC1 72219362 GCVZFSHFJBDAMU-SFHVURJKSA-N 317.477 3.410 0 40 DGAB CN(CCc1ccncc1)Cc1cn(C)nc1-c1cccs1 183756446 WXEKTCPBIUUYEB-UHFFFAOYSA-N 312.442 3.218 0 40 DGAB OCC1(CN[C@H]2CCCC[C@H]2c2ccccc2)CCOCC1 521396919 GKZZKQUMBXYFKK-ROUUACIJSA-N 303.446 3.092 0 40 DGAB CSc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 30953040 NFVVHCBQIDFACE-UHFFFAOYSA-N 311.403 3.026 0 40 DGAB CO[C@H]1CCC[C@H]1OC(=O)CCC(=O)c1ccc(F)cc1F 78985456 AMRWISRQJGAMGO-LSDHHAIUSA-N 312.312 3.038 0 40 DGAB Cn1ncnc1CSc1nc2cc(C(F)(F)F)ccc2[nH]1 78961979 GCLHLWVMMBFXNJ-UHFFFAOYSA-N 313.308 3.003 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccccc3C(F)(F)F)=NN[C@H]2C1 228924599 ZJDLHPOKCHFHHP-WCQYABFASA-N 310.319 3.387 0 40 DGAB COc1ccc(N(C)C(=O)COc2ccc(Cl)cc2)cc1 222971489 MUYMXVIPNXTNLX-UHFFFAOYSA-N 305.761 3.390 0 40 DGAB CCCN[C@H](C(=O)O)c1c[nH]c2cc(Br)ccc12 41128124 UHQMOXCDZAFSQW-LBPRGKRZSA-N 311.179 3.056 0 40 DGAB O=C(NCc1cnn2ccccc12)c1ccc(C(F)(F)F)cc1 75162748 BARIZSIZXJEKLC-UHFFFAOYSA-N 319.286 3.283 0 40 DGAB CCOC(=O)c1ccc(Nc2cc(OC)ccc2OC)c(N)c1 225433267 XWCOIONPWNSLLS-UHFFFAOYSA-N 316.357 3.206 0 40 DGAB CO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225606252 ZBOIYEIJHXGVPV-GOSISDBHSA-N 322.449 3.017 0 40 DGAB CC(C)CO[C@H](Cc1cccc(Br)c1)C(=O)O 225064850 OQCKEOOVJXDPAV-GFCCVEGCSA-N 301.180 3.117 0 40 DGAB O=C(c1cc2cccc(Cl)c2oc1=O)N1CCCCCC1 226040277 ULDMETIYGNZRAG-UHFFFAOYSA-N 305.761 3.463 0 40 DGAB C[C@@H](NC(=O)C1(CF)CCOCC1)c1ccc2ncsc2c1 332624261 VCJCQMHIXOAXJS-LLVKDONJSA-N 322.405 3.240 0 40 DGAB CCOC(=O)N(C)C1CCN([C@@H](C)Cc2ccsc2)CC1 97370747 UWXWVGFIPSCRHG-ZDUSSCGKSA-N 310.463 3.232 0 40 DGAB CC1(C)[C@H](NCc2cnc(-c3ccccc3)nc2)[C@@H]2CCO[C@H]21 579627704 HZHUKJZGFRFNDR-GVDBMIGSSA-N 309.413 3.047 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)Nc2nnc(C)s2)C1 96452172 YUEZFVOSYOIIII-NXEZZACHSA-N 300.453 3.032 0 40 DGAB O=C(NC1CC1)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154713 ZKZNHUKBFBKXDV-UHFFFAOYSA-N 320.396 3.105 0 40 DGAB FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1ccccn1)C2 96051160 VAZGDLVZDDLUSM-MRXNPFEDSA-N 307.388 3.029 0 40 DGAB O=C(CCc1cccnc1)NC1(c2nccs2)CCCC1 96407315 LMAZYVFFMHPJGO-UHFFFAOYSA-N 301.415 3.056 0 40 DGAB O=C(NCc1ccno1)c1ccccc1OC1CCCCC1 541808729 SLPREIKUYAGKIQ-UHFFFAOYSA-N 300.358 3.316 0 40 DGAB Cc1cccc(CN2CCCC[C@@H]2c2ccn3ccnc3n2)n1 257331715 XTYLWOFZSSHTDE-QGZVFWFLSA-N 307.401 3.160 0 40 DGAB CC(=O)N1CCC(Cc2cccc(-c3nc(C)cs3)n2)CC1 257333991 YEAXFMQYVYKVJO-UHFFFAOYSA-N 315.442 3.315 0 40 DGAB Cn1nc(CNC(=O)c2cccc3ccccc23)cc1C1CC1 96099309 HPDLDWSKOZVQQU-UHFFFAOYSA-N 305.381 3.381 0 40 DGAB Cc1nc(C(=O)N(C)CCCc2nc3ccccc3[nH]2)cs1 65899850 QIIPMPFIQJIAGV-UHFFFAOYSA-N 314.414 3.033 0 40 DGAB COc1ccccc1Cc1nnc(S[C@@H]2CCC[C@H]2OC)o1 96010422 GWVNCLAPMGYYRV-ZIAGYGMSSA-N 320.414 3.329 0 40 DGAB CC(C)Oc1c(Br)cc(CO)cc1Br 232683644 NNGRKHKYFFMTLV-UHFFFAOYSA-N 324.012 3.491 0 40 DGAB CNCCN(C)C(=O)OCC1c2ccccc2-c2ccccc21 147975100 SIVHMOCZXTVJPD-UHFFFAOYSA-N 310.397 3.087 0 40 DGAB Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1CCC1 5273323 OKGSWVYBMLLAFH-UHFFFAOYSA-N 303.793 3.048 0 40 DGAB O=C(c1ccc(F)cc1)[C@H]1CCCN(C(=O)c2ccco2)C1 12186113 IQBNBDMVHWROLZ-ZDUSSCGKSA-N 301.317 3.154 0 40 DGAB CCc1cccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)c1 14107243 OBUDAUDSVYBEGJ-UHFFFAOYSA-N 324.302 3.068 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)Nc1ccccc1Cl 16450373 CTMLSUUPODSITB-NSHDSACASA-N 318.760 3.302 0 40 DGAB Cc1ccc(CN2Cc3ccccc3O[C@H](CN(C)C)C2)s1 19217267 UKDQIXUBWZPZHY-MRXNPFEDSA-N 316.470 3.381 0 40 DGAB CCC(=O)N1CCCCC[C@@H]2[C@@H]1[C@H](c1cccc(F)c1)CN2C 19498867 CHLCDXZFVUKRQT-SCTDSRPQSA-N 318.436 3.405 0 40 DGAB Cc1cc(C)c(CSCC(=O)NC2CCOCC2)c(C)c1 102779757 UVDCKOJXMFWBNI-UHFFFAOYSA-N 307.459 3.140 0 40 DGAB CCc1cc(Nc2ccc(S(C)(=O)=O)cc2)nc(C2CC2)n1 1888879136 TYAPPMGZFMWADH-UHFFFAOYSA-N 317.414 3.064 0 40 DGAB Clc1ccccc1CN1CCC[C@H](COc2ncccn2)C1 1775995173 GHILAQFQRLVFEW-AWEZNQCLSA-N 317.820 3.421 0 40 DGAB COc1cccc(CN2CCN(Cc3ccccc3)[C@@H](C)C2)c1 57728969 LJLCICPURNYGOK-KRWDZBQOSA-N 310.441 3.402 0 40 DGAB O=C(c1ccncc1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775970183 FTSOIUODMSXVJU-UHFFFAOYSA-N 318.380 3.006 0 40 DGAB CO[C@@H](CNc1ncnc2cnccc12)c1ccccc1Cl 1775971484 PNTYWMUAKJTXKH-HNNXBMFYSA-N 314.776 3.478 0 40 DGAB Brc1ccc(C2=N[C@H](c3ccccc3)CO2)nc1 1988188050 OBYFAHKQBUQLDM-ZDUSSCGKSA-N 303.159 3.362 0 40 DGAB CCOC(=O)N[C@H](CNC(=O)c1cccc(C)c1C)CC(C)C 31705311 XOLJIJVFTQCJES-HNNXBMFYSA-N 320.433 3.194 0 40 DGAB CCC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1 20442549 VFEPJPQHCBQKFE-UHFFFAOYSA-N 320.396 3.405 0 40 DGAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccccc1Cl 40525409 ATRJMZWFLSXVQH-CQSZACIVSA-N 320.776 3.204 0 40 DGAB Cc1cccc(OCC(=O)NCC2(N(C)C)CCCCC2)c1C 11916213 LKYOIOFGFQIKRT-UHFFFAOYSA-N 318.461 3.063 0 40 DGAB Cc1cc2ncn(CC(=O)Nc3ccc(N(C)C)cc3)c2cc1C 420284 OENBGTLEWLFRAV-UHFFFAOYSA-N 322.412 3.358 0 40 DGAB C[C@@]1(C(=O)NC[C@@H](O)c2cccc(Cl)c2)CC1(Cl)Cl 46689487 AIZHUDIMIUXDHY-PWSUYJOCSA-N 322.619 3.074 0 40 DGAB O[C@@H](CN(Cc1ccncc1Cl)C1CC1)c1ccccc1 78972714 QRFAHWAMQKWKID-KRWDZBQOSA-N 302.805 3.433 0 40 DGAB Cc1noc(C)c1CCNC(=O)N[C@H](C)[C@@H](C)c1ccccc1 78987914 RBLUFUHBBUTTQH-CHWSQXEVSA-N 315.417 3.325 0 40 DGAB O=C(C1CC1)N(Cc1ccccc1)C[C@H](O)c1cccs1 79072251 IPAZNZGXVLHTHP-HNNXBMFYSA-N 301.411 3.220 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)C1(c2ccc(F)cc2)CC1 41509011 PMYSAZYWDZIYBM-UHFFFAOYSA-N 323.371 3.093 0 40 DGAB Cc1cc(C)nc(-n2nc(C)cc2NC(=O)C2CCCCC2)n1 3256844 LUUQKXWKDPPYRF-UHFFFAOYSA-N 313.405 3.106 0 40 DGAB CCc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 534334 OJMKXUDLRXNYFS-INIZCTEOSA-N 312.369 3.066 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2cc(C)oc2C)cc1 3464012 QLZNJQOTZJNNCW-CYBMUJFWSA-N 301.342 3.389 0 40 DGAB Cc1cccc(OC[C@H](O)CSc2ncc3ccccn23)c1 84211202 YTDYQGKUUVVEMD-HNNXBMFYSA-N 314.410 3.175 0 40 DGAB COc1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 4968562 DMJYYQTZLQINCO-UHFFFAOYSA-N 319.430 3.119 0 40 DGAB Cc1ccc(NS(=O)(=O)c2c(C)noc2C)cc1Cl 7402407 WQUDJUUULWYEON-UHFFFAOYSA-N 300.767 3.054 0 40 DGAB COc1cccc([C@H](CNC(=O)Nc2cccs2)N(C)C)c1 69664241 PWFKYPPONQRPPP-AWEZNQCLSA-N 319.430 3.181 0 40 DGAB COc1ccc2[nH]cc([C@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c2c1 12389404 BFSFLCZSBPOZMV-BWACUDIHSA-N 316.401 3.280 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)[C@@H]2CC=CCC2)CC1 42127315 QHHLMPVFKPEIOW-QGZVFWFLSA-N 312.457 3.432 0 40 DGAB CCc1cccc(NC(=O)NC2CCN(CC(F)F)CC2)c1 61746205 KICYIQQJPSSIRP-UHFFFAOYSA-N 311.376 3.100 0 40 DGAB O=C(CCc1ccco1)N1CCC([C@@H](O)c2ccccc2)CC1 23385749 ZIHHRIVZLHXZLQ-IBGZPJMESA-N 313.397 3.184 0 40 DGAB COc1ccc([C@H](C)N2CCC(n3cncn3)CC2)cc1Cl 69777919 QWZNRBVJNLNGBR-LBPRGKRZSA-N 320.824 3.338 0 40 DGAB CC(C)CNC(=O)CCCc1nc(-c2ccc(Cl)cc2)no1 9196681 JVEZZWKKYJKCRU-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(OC)nc2)cc1OCC 12591873 ZGLXEIIERVSECO-UHFFFAOYSA-N 316.357 3.140 0 40 DGAB COC(=O)c1cc(NC(=O)Cc2cccc(F)c2)c(F)cc1F 24980074 QWLQGJUKGGRCIZ-UHFFFAOYSA-N 323.270 3.072 0 40 DGAB O=C(Nc1ccc(F)cc1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 100423970 HSYBLSGBTZSSRH-IAGOWNOFSA-N 317.408 3.495 0 40 DGAB Nc1nc(Cl)cc(N[C@@H](c2ccccc2)c2ccccn2)n1 43534760 QLDKRJUSTHDMQV-HNNXBMFYSA-N 311.776 3.309 0 40 DGAB CCC[C@@H](C)N(C)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 44033134 RHKYGPIZGGYXND-LLVKDONJSA-N 307.394 3.306 0 40 DGAB CC1=CC[C@@H](C(=O)O)[C@@H](C(=O)Nc2nc3ccccc3s2)C1 26444499 GUJPAOIGOPJEBR-MNOVXSKESA-N 316.382 3.292 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C)c2nc(C(C)(C)C)no2)cc1 26982153 GPFZKMBNESUWNX-JTQLQIEISA-N 302.378 3.499 0 40 DGAB Cc1nonc1NC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 27664719 ZWZWLWJYFWBLBC-NSHDSACASA-N 303.362 3.082 0 40 DGAB COc1cccc(C(=O)Nc2cnc(C(C)(C)C)nc2)c1OC 58225715 FDKJXEDSGOHXFX-UHFFFAOYSA-N 315.373 3.044 0 40 DGAB Cc1ccc([C@H](C)Nc2ccc3nnc(C(F)(F)F)n3n2)o1 58245427 OJZXVUQOGNXNHC-QMMMGPOBSA-N 311.267 3.218 0 40 DGAB COc1ccc(N(C)C(=O)COc2c(C)cc(C)cc2C)cn1 58271106 BJDWDXSYHRYBLG-UHFFFAOYSA-N 314.385 3.057 0 40 DGAB COc1ccccc1CN(C)CC(=O)Nc1ccc2c(c1)CCC2 3331313 MOERTPPKNRUPPA-UHFFFAOYSA-N 324.424 3.254 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@H]3C[C@@H]4CC[C@@H]3C4)CC2)c1C 100539266 TVCPFXRYXOOVCW-KURKYZTESA-N 312.457 3.388 0 40 DGAB C[C@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1cccc(F)c1 58343969 GFXRTWNWPCDWHV-MEDUHNTESA-N 320.339 3.059 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccccc1Cl 68300387 KXUZDEDKFXMGMS-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB CCc1ccc(CN(C(=O)c2ccc3[nH]nnc3c2)C2CC2)cc1 45200122 MSRCDDMSJCRTHK-UHFFFAOYSA-N 320.396 3.325 0 40 DGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1F 11083222 DOOVNAHLLSGFBN-UHFFFAOYSA-N 323.371 3.343 0 40 DGAB C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2CCc2ccccc2)C1 48324372 ILZKFQIMEMMVIE-IEBWSBKVSA-N 314.473 3.342 0 40 DGAB CCc1nnc(NC(=O)CCC(=O)c2cc(C)sc2C)s1 12823527 FHUQZUXKPYIEOZ-UHFFFAOYSA-N 323.443 3.380 0 40 DGAB Cc1cccc(C[S@](=O)[C@H](C)C(=O)Nc2ccccc2)c1 69810390 UPOOEGOZUGIFKM-SPLOXXLWSA-N 301.411 3.271 0 40 DGAB CCCCn1cnc2c(c(C)c(C)n2-c2cc(C)ccn2)c1=N 13689782 NCEFUIXIBUESPB-UHFFFAOYSA-N 309.417 3.427 0 40 DGAB CC(C)Cn1ccnc1NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 64660604 IYJGHTYTDSGDDZ-GJZGRUSLSA-N 301.365 3.420 0 40 DGAB COc1ccc(NC(=O)C[S@](=O)c2ccccc2Cl)cc1 5210773 NEOAMWWFRUIBEX-OAQYLSRUSA-N 323.801 3.095 0 40 DGAB CC[C@H](NC(=O)/C=C/c1ccncc1)c1nc2ccccc2[nH]1 66766787 WUNSLPGITHRNRR-NPQIQWPPSA-N 306.369 3.239 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(Cl)cc2)Oc2ccc(F)cc21 15083940 KPIPNTXJYAYINR-HNNXBMFYSA-N 319.719 3.452 0 40 DGAB CN(C)C[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 66948127 OPKJTWRQRHBBRD-CQSZACIVSA-N 302.443 3.458 0 40 DGAB COc1ccc([C@@H]2CCCN2Cc2cnoc2C)c(OC)c1 96012907 PWXCXHXWWYUAFN-INIZCTEOSA-N 302.374 3.337 0 40 DGAB CC(=O)N1CCC[C@H](c2nc(Cc3ccccc3)cs2)C1 96009349 WRDLDDQPRCHNQN-HNNXBMFYSA-N 300.427 3.460 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@@H](C)Oc1cc(C)ccc1C 19736200 WFAJHWQZWMZUKT-CYBMUJFWSA-N 314.385 3.300 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 7471265 LSXHPCDPJVUSOD-OAHLLOKOSA-N 315.756 3.369 0 40 DGAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)cc1 7878225 FWWDBODAOYGROT-LLVKDONJSA-N 304.390 3.445 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1c(F)cccc1Cl 70039936 GELPVQIWAMRQFT-IRXDYDNUSA-N 324.827 3.454 0 40 DGAB CNc1nc2c(s1)[C@@H](c1ccc(OC(C)C)cc1)CC(=O)N2 61720073 LQMXGFWEPYKJJK-GFCCVEGCSA-N 317.414 3.446 0 40 DGAB CCc1nc(CCNC(=O)[C@@H](OC)c2ccccc2)sc1C 69485552 KHWZGTZPFSTGQL-INIZCTEOSA-N 318.442 3.060 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)c2ccc3[nH]cnc3c2)cc1 69440368 JDACMZQEMDHQBM-ZDUSSCGKSA-N 323.396 3.275 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2cccnc2)cc1OCC 69009299 OABKGUKHTHBIQP-CYBMUJFWSA-N 314.385 3.370 0 40 DGAB Cc1cc(NC(=O)c2ncccn2)ccc1Oc1cccnc1 72289528 PEYBFHSQYVQCMR-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)c3ccncc3)C2)n1 72282206 BYUDCBULWHQNRM-CYBMUJFWSA-N 301.415 3.120 0 40 DGAB CCc1cc2c(N3CC[C@H](C(C)(C)C)[C@H](O)C3)ncnc2s1 95467557 GBSWORCXEXGTOI-UONOGXRCSA-N 319.474 3.487 0 40 DGAB O=C(CC1(O)CCCCC1)N[C@H]1C[C@H]1c1cccc(F)c1F 74003401 DSNIJBNDKMTIEK-JSGCOSHPSA-N 309.356 3.022 0 40 DGAB Cc1n[nH]c(C)c1CNc1nccc(OCc2ccccc2)n1 89594731 LBZZFGRRSCTCNY-UHFFFAOYSA-N 309.373 3.008 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]1c1ccco1 75130557 IYPYGQRDPOWTEW-ZNMIVQPWSA-N 313.401 3.097 0 40 DGAB Cc1cc(CN(C)C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)no1 89601045 GEDJCFAHRJIEHH-HUUCEWRRSA-N 304.777 3.399 0 40 DGAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)Cn1cc(C2CC2)nn1 89905455 HQNRWLABLNNTQQ-CQSZACIVSA-N 324.428 3.155 0 40 DGAB O=C(NC1CC1)C1CCN(Cc2cccc3ccccc23)CC1 38850103 PJHGZRBKDXFYOH-UHFFFAOYSA-N 308.425 3.330 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)c1ccc(NCC2CC2)nc1 516879413 KWFUBBRUPLLYIB-UHFFFAOYSA-N 320.396 3.315 0 40 DGAB O=C1C(Br)=C(Br)CN1c1ccccc1 217579805 XCXPXDIZMSJNDA-UHFFFAOYSA-N 316.980 3.035 0 40 DGAB Cc1nc2ncnn2c(NCc2ccco2)c1Cc1ccccc1 35315313 JBSNMDBBNVJGTA-UHFFFAOYSA-N 319.368 3.229 0 40 DGAB Clc1ncnc2c1cnn2-c1cccc(Br)c1 35778775 SEZPQHXLHFWTMN-UHFFFAOYSA-N 309.554 3.231 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H](Cc2nccs2)C1 72385743 SXNOUTLNJIAYNR-LLVKDONJSA-N 307.444 3.003 0 40 DGAB CCc1c(C(=O)Nc2cccc(F)c2)nnn1-c1ccccc1 71007265 WKCJUJIFHCFORL-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB c1ccc([C@H](Cn2cncn2)Nc2ncnc3sccc23)cc1 78334125 LMQMTDXXRMDIQO-AWEZNQCLSA-N 322.397 3.136 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)N[C@@H](C)CC 225050734 QUXOIWZIYQVRMU-HOTGVXAUSA-N 318.461 3.427 0 40 DGAB CCc1ccc([C@@H](NCc2cnc(C3CC3)s2)C(=O)O)cc1 570029260 OPBJGAIDEZTXIF-OAHLLOKOSA-N 316.426 3.498 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2ccc(F)cc2)cc1C 225177293 CVMOJTNWTMXLAH-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CCN(c1ccccc1OC)S(=O)(=O)c1ccc(F)cc1 97053281 ZEVBANCJPBZRPH-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB C[C@H](Cc1ccc(F)cc1)NC[C@H]1CCN(CC(F)(F)F)C1 95420501 WNNDRCJAHWBGGP-TZMCWYRMSA-N 318.358 3.231 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@@H]1CCOC1 96436213 QUDYKWLVEDFTBX-GJZGRUSLSA-N 304.434 3.218 0 40 DGAB CCC(=O)Nc1nnc(CCOc2cccc(C)c2C)s1 95116402 ZLLYRJJDBGRUBX-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB Cc1cccc(C[S@@](=O)Cc2cc(F)cc3c2OCOC3)c1 96404534 NBVRLXBRCNNLHK-QFIPXVFZSA-N 320.385 3.450 0 40 DGAB CC(=O)N1CC[C@H](CN(C)[C@@H]2CC[C@](C)(c3ccccc3)C2)C1 249786130 MELNFCCFLNXFLW-RLLQIKCJSA-N 314.473 3.297 0 40 DGAB O=C(c1ccsc1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257325730 WUEGKBYKHVOIMI-GFCCVEGCSA-N 312.398 3.039 0 40 DGAB Cc1cccc(CN2C[C@H]3CC[C@@H](Oc4cccnc4)[C@H]3C2)n1 257317754 VKZIBWGIRLCLEV-AYOQOUSVSA-N 309.413 3.074 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)Cc2ccc(C)s2)ccn1 257231422 GGPJFRIBEBKGMQ-OAHLLOKOSA-N 315.442 3.399 0 40 DGAB CN(C)P(=NC(=S)Nc1ccccc1)(N(C)C)N(C)C 5524411 ZICVZXVDILCZMC-UHFFFAOYSA-N 313.411 3.014 0 40 DGAB CC(C)CC(=O)N1C[C@H]2CCCN(Cc3ccsc3)[C@H]2C1 12188228 XJNKXBPWEPDBRU-CVEARBPZSA-N 306.475 3.217 0 40 DGAB Cc1cc(-c2ccccn2)oc(=O)c1NC(=O)c1ccccc1 13222999 CUYUFWZECLOKMA-UHFFFAOYSA-N 306.321 3.263 0 40 DGAB C/C=C/C(=O)Oc1c(CC)c(C)nn1-c1nc2ccccc2[nH]1 13611077 JGVVFFZGSFFDKM-XBXARRHUSA-N 310.357 3.101 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 14302562 NHZSPEBNWKFGLF-CMPLNLGQSA-N 316.323 3.331 0 40 DGAB CC(C)COC(=O)c1nn(-c2ccccc2)c(=O)c2ccccc12 16222588 WXZYYNLKVHUWQJ-UHFFFAOYSA-N 322.364 3.199 0 40 DGAB COc1cc([C@@H]2[C@@H](C)C=C[C@H]3CCCC[C@H]32)oc(=O)c1CO 6037325 YJHFAFJKTXEFDR-SFDCBXKLSA-N 304.386 3.237 0 40 DGAB biogenic,in-vitro O=C(Nc1ccnnc1)N1CCC[C@H](c2ccc(F)c(F)c2)C1 585123673 GHYGFJRKDHSVTN-LBPRGKRZSA-N 318.327 3.166 0 40 DGAB c1ccc(COc2ccc([C@@H]3NCCc4nc[nH]c43)cc2)cc1 32109453 IPORPIQXJQGXGV-SFHVURJKSA-N 305.381 3.224 0 40 DGAB biogenic CN(c1nc2cc(Cl)ccc2o1)C1CN(c2ccccn2)C1 1889186642 OIYPJPXGBZOLAC-UHFFFAOYSA-N 314.776 3.201 0 40 DGAB CCC(CC)CN1C[C@H](OCc2ccccn2)[C@H]2OCCC[C@H]21 2055751105 IMBSRHHUHKODGD-QYZOEREBSA-N 318.461 3.266 0 40 DGAB CO[C@@H](CCSC)CNC(=O)c1ccccc1C(F)(F)F 1775967386 PQYVMULZSXVCLV-JTQLQIEISA-N 321.364 3.203 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(-n2ccnc2C)nc1 40118530 HGYWCUUAWBSSAF-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB Cc1[nH]c2ccccc2c1CCN1C(=O)c2ccccc2C1=O 94556 DDCRNKRVZIFVSO-UHFFFAOYSA-N 304.349 3.315 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@@H](O)c1ccc(F)cc1 40526395 LZXCIYQVDKYTGG-OAHLLOKOSA-N 302.349 3.298 0 40 DGAB CC1CCN(C[C@@H](O)COc2ccc(C(C)(C)C)cc2)CC1 313261 LNGKMRBDRAFHSM-QGZVFWFLSA-N 305.462 3.456 0 40 DGAB O=C(CSc1nc2cc(Cl)cc(Cl)c2[nH]1)NC1CC1 32691702 AJPLGPVGJWVUHY-UHFFFAOYSA-N 316.213 3.240 0 40 DGAB CCOC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2C)C1 32764349 QHPMRLRBHAHFLQ-GFCCVEGCSA-N 324.808 3.455 0 40 DGAB C[C@@H]1CC2=Nc3ncnn3[C@@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602496 QILXYPLVZBOSOC-GLEZIHRCSA-N 316.311 3.474 0 40 DGAB COc1ccc([C@@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)cc1 46812 SKEQREZONVCYKI-KBXCAEBGSA-N 314.337 3.047 0 40 DGAB Cc1nn(C)cc1-c1cc(C(F)F)c2c(C3CC3)nn(C)c2n1 2740492 QTEYCNKJNWGYLU-UHFFFAOYSA-N 317.343 3.492 0 40 DGAB Cc1ccccc1NC(=O)C(=O)Cc1nc2ccccc2s1 1625305 ADDWUSDTDDHDPL-UHFFFAOYSA-N 310.378 3.355 0 40 DGAB C[C@H](c1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccn2)C1=O 2232135 RXGOKSDHHDDTQM-BXUZGUMPSA-N 314.772 3.418 0 40 DGAB CC[C@H]1CN(C)c2ccccc2CN1Cc1nnsc1Cl 79074177 HJQPMRXGXWDKNK-LBPRGKRZSA-N 322.865 3.422 0 40 DGAB NC(=O)Nc1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 3408736 DAEHTFLRIAWIQO-UHFFFAOYSA-N 304.733 3.188 0 40 DGAB CCCc1nc2c3cnn(-c4cccc(Cl)c4)c3ncn2n1 540836 GYEPODDQYJONII-UHFFFAOYSA-N 312.764 3.069 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1F 103478830 YFFKWMLFZOAUAJ-QYAIJTBZSA-N 305.736 3.181 0 40 DGAB CCOc1cc(CNCc2ccc(OC)cc2)ccc1OC 7538534 LLATXWJZBZRQOB-UHFFFAOYSA-N 301.386 3.392 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)cc2)on1 22911035 HJQHZBFDYGZXHI-GHMZBOCLSA-N 307.781 3.314 0 40 DGAB CCc1nc(CNC(=O)c2ccc(-c3ccccc3)cc2)no1 108025304 LJAHXUZPTGLBQN-UHFFFAOYSA-N 307.353 3.229 0 40 DGAB Cc1cc(C)cc(C(=O)NCCCn2cnc3ccccc32)c1 12554471 GSVVYUMROLEDHE-UHFFFAOYSA-N 307.397 3.473 0 40 DGAB COc1ccc(NC(=O)NC[C@@H](OC)c2ccccc2)cc1 25247879 MIKAJOVNGFFEER-MRXNPFEDSA-N 300.358 3.204 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)Cc2cccc(F)c2)s1 10128101 RJNLOJSMRRIEGV-UHFFFAOYSA-N 306.362 3.118 0 40 DGAB CC(C)(C)n1ccnc1SCC(=O)NCc1ccccc1F 58202912 HBYRSOSRPJVQEL-UHFFFAOYSA-N 321.421 3.186 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N[C@@H](c2ccccc2)c2ccncc2)CC1 100768870 VFQIHCZEKIVMNH-IPELMVKDSA-N 323.440 3.052 0 40 DGAB CC(C)(C)c1ccc(OCCSc2nc(N)cc(N)n2)cc1 8703341 UPGWWIRUMDLCIM-UHFFFAOYSA-N 318.446 3.110 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1ccccc1F 3315451 FPJHYAJZUBMVGS-SOFGYWHQSA-N 300.285 3.311 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)c1cnn(-c2ccccc2)c1 25562310 LAXVNJUREQAEBR-UHFFFAOYSA-N 310.382 3.459 0 40 DGAB C[C@H](Sc1nccn1-c1cccc(Cl)c1)C(=O)N(C)C 10876364 DTRRZBKXLCNVGF-JTQLQIEISA-N 309.822 3.095 0 40 DGAB CCCOc1ccc(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)cc1 2327789 DZAXMHSIZFUEAF-QGZVFWFLSA-N 324.380 3.219 0 40 DGAB Cc1ccc(-c2cc(C(F)(F)F)nc(NCCN(C)C)n2)cc1 36613421 HQYCDECBBBNBKY-UHFFFAOYSA-N 324.350 3.444 0 40 DGAB CCCOc1cc(C)c(S(=O)(=O)NCc2ccco2)cc1C 12893400 SNBXRZUNISHVTB-UHFFFAOYSA-N 323.414 3.164 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 3464586 VGOWKSASWQTJPR-UHFFFAOYSA-N 319.382 3.414 0 40 DGAB CCc1nsc(Sc2nnc(-c3cccs3)n2C)n1 92584047 VSRYILHAABWIQM-UHFFFAOYSA-N 309.445 3.109 0 40 DGAB CC[C@H]1CCCCN1C(=O)c1cccn(Cc2ccccc2)c1=O 63825247 QIXOTTFTZPELFC-KRWDZBQOSA-N 324.424 3.301 0 40 DGAB O=C(OCc1coc(-c2ccccc2Cl)n1)c1cnccn1 64493567 IWGQTYRGWQNAIF-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB CCOc1ccccc1[C@H](O)c1nccn1Cc1ccccc1 8991319 ZMBSEUMZKKUAMO-SFHVURJKSA-N 308.381 3.412 0 40 DGAB COCCc1ccc2oc(NCC3(C)CCOCC3)nc2c1 97102153 NEIXIVYLZSSBEV-UHFFFAOYSA-N 304.390 3.245 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)CCCc3cccs3)C2)c1 71186019 OWQRRVIHLJQVGY-HNNXBMFYSA-N 317.458 3.439 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccc(F)cc2)c1C 4548142 XZPCPTNHRQULGI-UHFFFAOYSA-N 319.332 3.209 0 40 DGAB COCc1cccc(NC(=O)c2cccc(OC)c2OC)c1 25334889 RIBVPQNRBQRMIW-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB CCC(C)(C)NC(=O)CCCNC(=O)c1ccc(Cl)cc1 6551208 PIINIFKQERFALV-UHFFFAOYSA-N 310.825 3.155 0 40 DGAB NC(=O)CCSc1nc(Nc2ccccc2)c2ccccc2n1 14303713 SUXNXTFOGIYXTQ-UHFFFAOYSA-N 324.409 3.341 0 40 DGAB CCCCOCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1 4696209 KYSDQNCVZVBXOH-CSKARUKUSA-N 321.417 3.040 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@@H]1CCCN1C(=O)c1cccs1 9154367 JWSBLGTVNDPOTD-ZDUSSCGKSA-N 318.373 3.131 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cs2)cc1 4704391 MHHSIBWSCYZMNV-UHFFFAOYSA-N 303.387 3.442 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C(C)(C)C)cc2Cl)CC1 4749190 CKZLCOGAFRUPRM-UHFFFAOYSA-N 323.868 3.467 0 40 DGAB Cc1nnc(CSc2nnc(-c3ccc(C)c(C)c3)o2)o1 5778805 WTUBFILOVAPLOR-UHFFFAOYSA-N 302.359 3.337 0 40 DGAB Cc1ccc(-c2ccc(C(=O)OCc3nnc(C)n3C)s2)o1 96005814 OOELQQLQIXWSSN-UHFFFAOYSA-N 317.370 3.110 0 40 DGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)OCC(=O)c1ccc[nH]1 7782078 QPKWRPIWXKNDGA-NSHDSACASA-N 321.760 3.170 0 40 DGAB CN1C(=O)COc2ccc(-c3csc(-c4ccccn4)n3)cc21 7996800 SJWOJQTXVFXQBR-UHFFFAOYSA-N 323.377 3.227 0 40 DGAB O=C1CSc2ccc(C(=O)Nc3ccc4c(c3)CCC4)cc2N1 9387539 LMWONJCQPFYGGP-UHFFFAOYSA-N 324.405 3.472 0 40 DGAB CN(C(=O)NCCc1nccn1C(F)F)C1CCCCCC1 69697152 MXPAWDDLMMRCLD-UHFFFAOYSA-N 314.380 3.185 0 40 DGAB NC(=O)c1ccc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)cc1 69708499 PXIIEPMIQWFUHT-GOSISDBHSA-N 322.408 3.023 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2c2ncnc3ccccc23)n1 69950757 DHQBQWYIGOWACE-OAHLLOKOSA-N 307.401 3.112 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCCC[C@@H]2Cn2cccn2)c1 69970131 XPMPVFXJACBCQS-QYZOEREBSA-N 323.440 3.376 0 40 DGAB COc1cccc(N2CC[C@H](CNCc3cccs3)C2)c1 71924598 HEYFSIHKDKXMSM-CQSZACIVSA-N 302.443 3.373 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@H]2CCN(C(C)C)C2)c(C)s1 84081843 PHPHJYWSUBMQTR-JSGCOSHPSA-N 309.479 3.208 0 40 DGAB O=C1OC(c2cccs2)=N/C1=C/C1=Cc2ccccc2OC1 96935631 OFIFFTADWCMDIP-UKTHLTGXSA-N 309.346 3.411 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)n[nH]1 84110356 WHJSAYHAUMXDNA-HNNXBMFYSA-N 301.434 3.250 0 40 DGAB Cc1cc(NC(=O)C[C@@H]2CCCCO2)ncc1Br 87370940 ZGUXSPTUVQKNAW-JTQLQIEISA-N 313.195 3.050 0 40 DGAB Cc1ccc([C@H]2CCC[C@H]2OC(=O)c2ccc(C)[nH]c2=O)cc1 97002034 CHLIORGRKPPKSU-NVXWUHKLSA-N 311.381 3.485 0 40 DGAB C[C@H](Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccnc1 97045818 CUGWJQKJIPUNDX-LBPRGKRZSA-N 306.373 3.243 0 40 DGAB CC(C)c1nc([C@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)no1 72232212 ZOLJSIWIHCKVGS-KGLIPLIRSA-N 303.406 3.255 0 40 DGAB Cc1cccc(OCCCN2CCC[C@@H]2CN2CCCC2)c1 95394203 ZQAOBMFSSZJUJN-GOSISDBHSA-N 302.462 3.324 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCC(C3CCOCC3)CC2)o1 95434601 PZOICKWAPZPJDK-SNAWJCMRSA-N 303.402 3.266 0 40 DGAB CCC[C@H]1c2ccccc2CCN1C(=O)c1c[nH]c(C)cc1=O 73678895 PENWZQOBGOIZEE-KRWDZBQOSA-N 310.397 3.223 0 40 DGAB C[C@@H](NC[C@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 95943533 CQDGOPJCQIYBHB-SCZZXKLOSA-N 319.232 3.378 0 40 DGAB O=C(N[C@@H]1CCCc2occc21)c1ccc(-c2ccco2)[nH]c1=O 75125284 HPCDMLYYAUKVBM-CYBMUJFWSA-N 324.336 3.035 0 40 DGAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)N[C@H](C)CCCO 89895402 IYMLUBKOBWNHGU-CABCVRRESA-N 314.429 3.231 0 40 DGAB C[S@](=O)c1ccc(C(=O)OCCSC(C)(C)C)cc1 75611145 CAIMUFCJYJKARD-LJQANCHMSA-N 300.445 3.113 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1c[nH]c2ccccc2c1=O 22234062 BFENYLQLNSOHRG-SFHVURJKSA-N 318.376 3.336 0 40 DGAB Cc1ccc([C@H]2CCCCN2Cc2cnc(C(=O)O)cn2)cc1 530162687 QYZPDCGXYNVFDP-QGZVFWFLSA-N 311.385 3.210 0 40 DGAB O=c1[nH]nc(-c2ccccc2)c2sc(N3CCCCC3)nc12 72332475 IPGGSABBYGWQNX-UHFFFAOYSA-N 312.398 3.037 0 40 DGAB CC1CCC(N2C[C@H](C(=O)N(C(C)C)C(C)C)CC2=O)CC1 78612732 NTTAGMMSQLNMQW-HWOWSKLDSA-N 308.466 3.059 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N1 78403899 BUXMXRRYWPSKRT-SNVBAGLBSA-N 322.817 3.497 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)C1 72260053 DXGHVYGGOGOITL-SECBINFHSA-N 311.307 3.454 0 40 DGAB CCC(=O)N1CCC[C@H](Cc2cccc(Nc3ccccn3)n2)C1 72363596 JLCQQQPWZPGIMO-OAHLLOKOSA-N 324.428 3.411 0 40 DGAB CCc1nc2ccc(NC(=S)NCCCOC)cc2s1 225206582 QTDMZRWPVDJBPO-UHFFFAOYSA-N 309.460 3.182 0 40 DGAB COc1ccccc1O[C@H](Cc1cccc(Cl)c1)C(=O)O 225059230 MUIAWUZHANWCJD-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB CCCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCCCC1 225909719 NMXSPTUKGNRZIR-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2cccs2)cc1 40121959 CLHJJPAGWBVCKN-GFCCVEGCSA-N 316.426 3.206 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccnc2)cc1 225643732 HUPPHTKNDDBMNW-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2cc(C)ccc2Cl)C1 193920126 PJCFLDSQYGUALO-WDEREUQCSA-N 310.781 3.112 0 40 DGAB CO[C@@H](CNC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)s1 96385555 VSLJDZNATXXASD-HIFRSBDPSA-N 319.426 3.328 0 40 DGAB C[C@H](C[C@@H](O)c1ccco1)Nc1cncc(Br)c1 95449443 JIDJZEMINYGKRB-BXKDBHETSA-N 311.179 3.361 0 40 DGAB CCOC[C@@H]1CCC2(CCN(Cc3cccs3)CC2)N1C 96208833 RNDKXIHORHBUDN-HNNXBMFYSA-N 308.491 3.213 0 40 DGAB C[C@H](NC(=O)NC[C@H](C)Cc1cccs1)c1ccncc1 96437642 BTZWVAUIASEOMF-OLZOCXBDSA-N 303.431 3.382 0 40 DGAB Cc1nnc2ccc(N[C@@H](C)c3c(F)cccc3Cl)nn12 96449433 CMLXFWALHLKBTO-QMMMGPOBSA-N 305.744 3.398 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1cnccc1OC 96450298 NXCOGWNYYIEPOX-ZDUSSCGKSA-N 304.321 3.025 0 40 DGAB Oc1nncc(N[C@H]2CCC[C@H]2Cc2ccccn2)c1Cl 585098949 VOPCZHOGDQMTBL-JQWIXIFHSA-N 304.781 3.054 0 40 DGAB O=C(O)c1ccnc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 582796328 CAGHCWNIAPYFJG-ZDUSSCGKSA-N 317.316 3.144 0 40 DGAB O=C(CSc1ccc(F)cc1)NC[C@@H]1COc2ccccc21 342656544 OWFLOPLGXRXAJA-GFCCVEGCSA-N 317.385 3.210 0 40 DGAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3cccs3)C2)n1 257343734 ZUESHCHHIXCLEM-AWEZNQCLSA-N 315.442 3.193 0 40 DGAB CC(C)Cc1cccc([C@H](C)C(=O)NC2CCN(C)CC2)c1 252489247 JMOGACGRTNQHEA-HNNXBMFYSA-N 302.462 3.199 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2cnc3ccccc3c2)C1 257285066 PFLYRPRGGQGKHB-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB COCCNCCCCCOc1ccccc1Br 261507298 HFGOMOLCKRZROX-UHFFFAOYSA-N 316.239 3.234 0 40 DGAB Cc1ccc(NC(=O)N2CC[C@@H](Oc3ccncc3)C2)cc1C 127055363 MDQALCDBXOUYOB-QGZVFWFLSA-N 311.385 3.384 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)S(=O)(=O)N1CCCCC1 44388085 LLGMJCLXOYUOMP-ZDUSSCGKSA-N 322.430 3.156 0 40 DGAB CC(C)NC(=S)Nc1cccc(COC[C@H]2CCCCO2)c1 54939448 NKFOIERCNXIBJG-MRXNPFEDSA-N 322.474 3.467 0 40 DGAB CCn1c(C)nnc1COc1ccc(Br)cc1C 97047963 VPXSGOHYMFBQGE-UHFFFAOYSA-N 310.195 3.256 0 40 DGAB COc1cccc(-c2cc(CC(=O)N3CCCCCC3)no2)c1 12864935 DGKKXOKVFDRQFY-UHFFFAOYSA-N 314.385 3.295 0 40 DGAB Cc1c(-c2ccccc2)nn2c(O)cc(-c3ccccn3)nc12 19557563 PRELKHCKURTTFM-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB COC(=O)c1cc(F)cc2c1C(=O)C[C@@H](c1ccc(F)cc1)N2 205894177 IUTWLYCIQGCXQP-ZDUSSCGKSA-N 317.291 3.491 0 40 DGAB C[S@@](=O)C[C@H](NCc1cccc2[nH]ccc12)c1ccccc1 154694363 XQWXQGFOMPRAOV-AVRDEDQJSA-N 312.438 3.377 0 40 DGAB CC(C)(C)C(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181316 VXFQSKCGJKSTSM-UHFFFAOYSA-N 321.421 3.130 0 40 DGAB CCOc1ccc(Oc2ccc(S(=O)(=O)N(C)C)cc2)cc1 6588928 OARHAEXXAPQISA-UHFFFAOYSA-N 321.398 3.128 0 40 DGAB COc1ccc2nccc(C(=O)NCc3ccccc3F)c2c1 1889263474 AAKHXSKXJSUJKC-UHFFFAOYSA-N 310.328 3.313 0 40 DGAB O=S(=O)(N1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2 4694126 VTDQNWJYWHKECO-UHFFFAOYSA-N 317.454 3.348 0 40 DGAB O=C1c2ccc(Br)cc2C(=O)N1c1ccc(F)cc1 240972 DMZNYLVDKQONRL-UHFFFAOYSA-N 320.117 3.389 0 40 DGAB COc1ccc(/C=C2\OC(=O)c3c(OC)cccc32)cc1OC 385663 PXQRIFQWIIJYJG-DHDCSXOGSA-N 312.321 3.381 0 40 DGAB CC(C)C[C@@H](CNC(=O)Nc1ccccc1F)N1CCCC1 32909534 YAHWIXMIBOAKGH-AWEZNQCLSA-N 307.413 3.458 0 40 DGAB Cc1ccc(N2C(=O)CC(=O)N(c3ccc(C)cc3)C2=S)cc1 47026 GMKARTVTMHTCBO-UHFFFAOYSA-N 324.405 3.358 0 40 DGAB CCC(=O)Nc1ccc(C(=O)OCC(=O)c2cccs2)cc1 555856 HSMXPDXZLZMPPV-UHFFFAOYSA-N 317.366 3.136 0 40 DGAB COc1ccc(NC(=O)c2nnn(-c3cccc(C)c3)c2C)cc1 2699064 AIKNIAFBMIEHBY-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1nc(C)c(CNC(=O)NC[C@H](C)c2cccs2)s1 76087875 SJLAUYJDGHCFAW-VIFPVBQESA-N 309.460 3.424 0 40 DGAB CC(C)C[C@@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381143 LSURROKOUILUCP-CYBMUJFWSA-N 321.398 3.229 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)N(C)Cc2c(C)noc2C)C1 76477884 AFGBJTRJTPMRDW-STQMWFEESA-N 311.451 3.107 0 40 DGAB O=C(Nc1ccc2c(c1)oc1ccccc12)c1cccc[n+]1[O-] 52992460 KSERISRRVOKKPB-UHFFFAOYSA-N 304.305 3.472 0 40 DGAB S=C(NCCSCc1ccco1)N[C@@H]1C[C@H]2CC[C@H]1C2 103250799 YFTLTNFONGJKFN-SGMGOOAPSA-N 310.488 3.166 0 40 DGAB COc1ccc(C(=O)Nc2cccc(NC(C)=O)c2)cc1F 22866294 SCDJVFOTKTVNGO-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB COCCNC(=O)c1cc2sccc2n1Cc1ccccc1 37526515 KUZCSMXIOJZQBQ-UHFFFAOYSA-N 314.410 3.127 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2)c1C 12460317 ZFNHKTMSSQBTKT-UHFFFAOYSA-N 306.749 3.324 0 40 DGAB Cc1nnc(S/C(=C/c2ccccc2OC(C)C)C(=O)O)[nH]1 9356630 NBIDALSYBBDZES-MDWZMJQESA-N 319.386 3.118 0 40 DGAB Nc1nc2ccccc2n1CCCCn1c(N)nc2ccccc21 3136738 SGPHAVYYCSVFLI-UHFFFAOYSA-N 320.400 3.031 0 40 DGAB aggregator COc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)OCO2 1461353 PMTHPXWJRDGOKS-UHFFFAOYSA-N 311.337 3.017 0 40 DGAB COC[C@@H](NCc1cc(Cl)cc2c1OCOC2)c1ccco1 97110641 WRDRQKAMCFHZJM-CQSZACIVSA-N 323.776 3.277 0 40 DGAB COc1ccccc1OCC(=O)N(C)Cc1ccc(Cl)cc1 22514350 VYLIBZOLCBWDGO-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3cccc(C)n3)o2)cc1 44890098 NZSQNAJKCQPYOR-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB CC[C@H](C(=O)NC[C@@H]1CCCN(C(C)C)C1)c1ccccc1 58264632 HIMOYBIFLOMJKH-WMZOPIPTSA-N 302.462 3.417 0 40 DGAB C[C@H](Cn1cccn1)NC(=O)N[C@H](C)c1ccc(Cl)s1 44955103 XWJQJRUBCUYBMS-NXEZZACHSA-N 312.826 3.047 0 40 DGAB COCCNc1ccc(CNC(=O)Nc2cccc(F)c2)cc1 58333118 DTQFYOMMUFALAR-UHFFFAOYSA-N 317.364 3.206 0 40 DGAB C[C@H](NC(=O)COC1CCCC1)c1nc(-c2ccccc2)c[nH]1 58324098 YRLCCIQCDWJBTJ-ZDUSSCGKSA-N 313.401 3.213 0 40 DGAB CN(CC(F)(F)F)C(=O)c1cc2c(nc3sccn32)s1 58915355 QGUSDMBNRFQQPP-UHFFFAOYSA-N 319.333 3.245 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2c(F)cccc2Cl)c1 12892479 GVJFDAPCTXIBMY-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB O=C(CSc1nncn1-c1ccccc1)c1cccs1 3453060 MWWAGSMIQLIEQQ-UHFFFAOYSA-N 301.396 3.304 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(Cl)o1 13012410 AZBCPRGWSARHLW-UHFFFAOYSA-N 308.721 3.152 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H]2CCCc3ccccc32)c1 8778101 CZVUMDMYJNFQBU-GOSISDBHSA-N 308.381 3.452 0 40 DGAB Cn1c(NC(=O)COc2ccc(Cl)cc2)nc2ccccc21 3899866 DTBPKOLOEXGRRV-UHFFFAOYSA-N 315.760 3.244 0 40 DGAB O=C(Nc1cccc(C2SCCS2)c1)c1ccc[nH]c1=O 18216910 OUVFIWKLITUMTR-UHFFFAOYSA-N 318.423 3.106 0 40 DGAB O=c1[nH]c(CSc2ccc(F)c(F)c2)nc2ccccc12 5185888 HPADXWPLZSAEGF-UHFFFAOYSA-N 304.321 3.494 0 40 DGAB C[C@H](NC(=S)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13819661 YWUKMSOMQPWLIP-HANOVZDXSA-N 322.518 3.234 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)C[C@@H]1C=CCC1 39978499 PSOFHUJUFDBTGW-CQSZACIVSA-N 301.386 3.163 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H]1c2ccccc2C(=O)N1CCCO 13957668 HUWISUGMEPCDRI-IBGZPJMESA-N 320.392 3.404 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cccc(NC(C)=O)c1 14020146 GQZKSYQFFIIBSY-GFCCVEGCSA-N 312.369 3.145 0 40 DGAB O=C1CSc2ccc(NC(=O)c3ccccc3F)cc2N1 14076335 SXZMSFFEQFVQTK-UHFFFAOYSA-N 302.330 3.122 0 40 DGAB CC(C)CCN(C(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 65576951 VBBLRJLSXBMQIV-UHFFFAOYSA-N 317.433 3.431 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)CCCc1c[nH]c2ccccc12)C(=O)O 5450813 CRIBHMPKLWFZLL-YVEFUNNKSA-N 316.401 3.106 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)CC1CCCCC1 6549019 ZAOBNPZJAKFKNS-UHFFFAOYSA-N 319.401 3.456 0 40 DGAB C[C@@H](NC(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1ccccc1 14898276 PMOUHFYLLPSJKD-RHSMWYFYSA-N 322.408 3.455 0 40 DGAB COC[C@@H](C)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 8225424 XKPWBRMXSWUOEA-SECBINFHSA-N 323.393 3.354 0 40 DGAB COc1ccc(-c2nnc(NC(=O)C(C)(C)C)s2)cc1OC 17207225 QZYHJKMGPQGAIV-UHFFFAOYSA-N 321.402 3.207 0 40 DGAB CN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCSc2c(F)cccc21 71796081 VAUBKDOQEOWBOF-FZMZJTMJSA-N 324.421 3.183 0 40 DGAB CCc1ncc(C(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)s1 71830991 QODQPLCCZPCWSY-CYBMUJFWSA-N 320.389 3.058 0 40 DGAB Fc1ccccc1Cc1nnc2sc(-c3ccco3)nn12 19910065 OTUJQZOFQFHRTF-UHFFFAOYSA-N 300.318 3.176 0 40 DGAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccncc1 71903734 FBRDIEYQAMCZEN-NSHDSACASA-N 322.767 3.300 0 40 DGAB O=C(N[C@@H]1CCCOc2ccc(F)cc21)N1CCCSCC1 84459385 UQECHRFLDJBXJL-CQSZACIVSA-N 324.421 3.188 0 40 DGAB CC[C@@H](C)c1csc(NC(=O)N[C@@H](C)c2cnn(C)c2)n1 84726941 WTEYOGFAUOLEHR-ZJUUUORDSA-N 307.423 3.273 0 40 DGAB COc1cc(F)c(NCc2cn(C)nc2C(C)C)cc1OC 95978151 PDXYJVUXUHMWBZ-UHFFFAOYSA-N 307.369 3.312 0 40 DGAB COc1ccc(CCSCc2ccc(C(N)=O)cc2)cc1 9937806 OGIOSRVMZORIPI-UHFFFAOYSA-N 301.411 3.270 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)c(=O)[nH]1 75120119 KQCOYYBTRVZBLC-CQSZACIVSA-N 314.385 3.028 0 40 DGAB COCCCNC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22245683 LNNUHFMEJZBNKO-UHFFFAOYSA-N 323.393 3.101 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 409234288 KHNZZFKZLHNXJK-JLHYYAGUSA-N 323.439 3.481 0 40 DGAB CO[C@H]1CC[C@H](NC(=O)Nc2cc(F)ccc2OC(F)F)C1 189728600 QCCRHMYPPYUQLI-UWVGGRQHSA-N 318.295 3.116 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2ccccc2Cl)c1 72331121 DIAHPTGYYQLKFY-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CNC(=O)c1cccc(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)c1 129217642 RLDUFMIBRFXVRI-UONOGXRCSA-N 314.351 3.257 0 40 DGAB COc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2)cc1C 30288220 IRKKJKQYRMHZME-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)CCc3ccccc3)C2)n1 72369646 UVMSGGDBFBWZAI-KRWDZBQOSA-N 309.413 3.042 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 40088033 DTYOGNSYCKPYTL-PXAZEXFGSA-N 312.344 3.196 0 40 DGAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC[C@H]2CCCO2)c1 49891004 ZEAUICFOJGMTAI-LSDHHAIUSA-N 305.418 3.181 0 40 DGAB CC(=O)Oc1ccc(C(=O)c2cncc(Br)c2)cc1 43210687 IDAACAIGNXRNEH-UHFFFAOYSA-N 320.142 3.000 0 40 DGAB CCc1noc([C@@H]2CCCCN2C(=O)c2sccc2C)n1 40714484 QMDGSSNVKGDPTR-NSHDSACASA-N 305.403 3.369 0 40 DGAB CCCCOCCOC(=O)c1snnc1-c1cccs1 223846070 PUSKAHAUNDJGNU-UHFFFAOYSA-N 312.416 3.240 0 40 DGAB Cc1ccc2n1-c1ccccc1CN=C2CNC(=O)c1ccco1 225376698 SRCMOLNMCDRARL-UHFFFAOYSA-N 319.364 3.111 0 40 DGAB CC[C@H](C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225272268 KFUXSMJFSDORPG-QMMMGPOBSA-N 300.811 3.212 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@](C(=O)O)(c2ccccc2)C1 95919623 QDUYSEHCJSUXPE-KRWDZBQOSA-N 305.374 3.040 0 40 DGAB CSc1ccc(CNC(=O)N(C)Cc2cccn2C)cc1 96473413 NYKAKHFKFPWYTK-UHFFFAOYSA-N 303.431 3.089 0 40 DGAB c1csc(CN2CCc3ncnc(-c4ccoc4)c3CC2)c1 96255149 MKPLJFNGVJBLIL-UHFFFAOYSA-N 311.410 3.399 0 40 DGAB CC(=O)N1CCN(Cc2ccsc2)C[C@H]1c1ccccc1 257254513 KDKVGSYDHDBQAO-KRWDZBQOSA-N 300.427 3.154 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2c(F)cccc2F)O[C@@H]2CCCC[C@@H]12 257246537 IUOSIJKDEPIIAU-AEAUEXCSSA-N 309.356 3.490 0 40 DGAB CC[C@H](C)n1ccc(NCc2cc(C(F)(F)F)nn2C)n1 256054154 VDGMHIWQZJNDPR-VIFPVBQESA-N 301.316 3.219 0 40 DGAB Cn1cc(CN2CCC(c3cnccn3)CC2)c2ccccc21 257215975 CSMQPJVSQGFBKN-UHFFFAOYSA-N 306.413 3.348 0 40 DGAB COCC[C@H]1CN(Cc2ccc(F)cc2)Cc2cccn2C1 585094657 RDCGNSUURVQFRF-INIZCTEOSA-N 302.393 3.296 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1C 69571314 YKMUTEFABBPRDA-INIZCTEOSA-N 318.804 3.201 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Cl)cc1Br 1083806944 BXSZMGPJPHCSQR-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)c2C)cc1 555790 VZMJDNZMSNMVCI-GDNBJRDFSA-N 309.369 3.196 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 12853441 IOCONRUBMPKYPM-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB Cc1ccc(CN2C[C@@H]3[C@@H](CC[C@@]3(O)c3ncccc3C)C2)o1 13227686 GCVZIWCVSFDOJO-WDYCEAGBSA-N 312.413 3.021 0 40 DGAB Cc1cccc(OCc2nnc(S)n2Cc2ccco2)c1C 13535524 DTEIVOVJNWDZPK-UHFFFAOYSA-N 315.398 3.404 0 40 DGAB COc1ccc(NC(=S)NCc2ccc(C)cc2)cc1OC 13935017 LQVBKGUORJJEGK-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB COc1ccc([C@@H]2[C@H]3CCC[C@@H]3[C@H]2NCC2=COCCO2)cc1 19557181 DZNABFBFEWFBDR-INDMIFKZSA-N 315.413 3.055 0 40 DGAB Cn1cc(C(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 20888653 WYRKQVDVRDCLMG-UHFFFAOYSA-N 308.337 3.202 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)Cc1cccc(Cl)c1 36391666 OIJBKAVHHDCPKJ-SNVBAGLBSA-N 306.793 3.235 0 40 DGAB Cc1nc(CN2CCC[C@@H](COc3ccncc3)C2)cs1 1776000947 QZLOXCFPXGXMFX-CQSZACIVSA-N 303.431 3.138 0 40 DGAB CC(C)(C)Cc1nnc(NC(=O)C(Cl)(Cl)Cl)s1 2735216 CLCNEQVJQCADDJ-UHFFFAOYSA-N 316.641 3.435 0 40 DGAB O=C(NCc1cc(-c2ccco2)on1)c1c(F)cccc1F 22768506 SQALXGKHDOIDCR-UHFFFAOYSA-N 304.252 3.143 0 40 DGAB Cc1cccc(-c2nnc(Cc3nc(-c4cccnc4)no3)o2)c1 65185522 KIJRZDATXBTYKZ-UHFFFAOYSA-N 319.324 3.081 0 40 DGAB O=C([C@H]1CCCO1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372161 HICBBJXMQMGBJY-TZMCWYRMSA-N 313.319 3.200 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1cccc(Oc2ccccc2)c1 40092399 HWYWNVRXGRAXLZ-HNNXBMFYSA-N 321.380 3.494 0 40 DGAB Cc1ccsc1CNC(=O)Nc1cccnc1N1CCCC1 40121060 FTDLFIXPLPRWTC-UHFFFAOYSA-N 316.430 3.373 0 40 DGAB O=C(Nc1ccc2oc(O)nc2c1)c1cc(-c2ccccc2)no1 40108699 DJSDNGBSRWVZCB-UHFFFAOYSA-N 321.292 3.441 0 40 DGAB CN1[C@H](c2nnnn2-c2ccccc2)c2ccccc2CC1(C)C 20462074 BVAREBUAIHEREW-KRWDZBQOSA-N 319.412 3.018 0 40 DGAB Clc1cc(NCc2cccnc2)ccc1N1CCOCC1 211109 YDBIMRULCSUQJX-UHFFFAOYSA-N 303.793 3.184 0 40 DGAB COc1ccc(Cl)cc1NS(=O)(=O)c1cccs1 249382 MMJOVSNRWRTEMU-UHFFFAOYSA-N 303.792 3.211 0 40 DGAB O=C(Nc1nncs1)c1ccccc1COc1ccccc1 21216309 QLMGETCLKSNLOU-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB CCOC(=O)c1ccc(N(Cc2ccncc2)C(=O)CC)cc1 505831 ALPIANQVNCIHHC-UHFFFAOYSA-N 312.369 3.202 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(Cl)cc3)n2)cc1 19910690 VRIFBMPGDRLRJY-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1nc(-c2ccc(OCc3ccc4c(c3)OCO4)cc2)no1 8705635 UWOXULXMGHWZLD-UHFFFAOYSA-N 310.309 3.353 0 40 DGAB Cc1ccc(CNC[C@@H]2CCO[C@@H]2c2c(C)nn(C)c2C)s1 76042619 GJMKCOZSQCANSK-YOEHRIQHSA-N 319.474 3.274 0 40 DGAB CCOC(=O)c1cc2sc(C)cc2n1CC(=O)NC(C)(C)C 1338225 RBZLIVNMNCIWMO-UHFFFAOYSA-N 322.430 3.103 0 40 DGAB C[C@@H]1OC(c2cc3c(cc2Br)OCO3)O[C@H]1C 1663786 ZOXAMEBQJPJRGY-BQBZGAKWSA-N 301.136 3.000 0 40 DGAB O=C(Nc1cccnc1Cl)c1ccccc1-c1cncnc1 78991963 IGNCLIQQMZNSKH-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB CCn1c(CNC(=O)COc2ccccc2)cc2ccccc21 4973459 QRIDEYFBEQLJOW-UHFFFAOYSA-N 308.381 3.356 0 40 DGAB CSCCOC(=O)[C@@](O)(C1=CCC=CC1)c1ccccc1 6485342 JMYCJGIWVZWOPT-KRWDZBQOSA-N 304.411 3.057 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 7416996 ARUPUCJIWCBXBJ-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB CCOc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 2700241 UGWJKFXHNUAPCR-CYBMUJFWSA-N 317.410 3.225 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(SC)cc2)cc1 7745680 WXPFQOQMZOUTSX-UHFFFAOYSA-N 309.412 3.218 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@@H]2C3)c1 101868416 LSMRYOJBUVLCQT-MGPQQGTHSA-N 317.385 3.003 0 40 DGAB CNC(=O)N1CCCCC/N=C/1c1ccc(Br)cc1 102476451 PZGXECUBMZPMAT-GHRIWEEISA-N 324.222 3.021 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)CNc1cc(F)cc(F)c1 23626686 JGBGMBHHMOPLOQ-NSHDSACASA-N 320.339 3.263 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)Nc2nncs2)C2CC2)o1 43129338 UHROZYOUPSMGSQ-BXKDBHETSA-N 318.402 3.451 0 40 DGAB C[C@H]1CCCCN1[C@H](C)CNC(=O)Nc1cc(F)cc(F)c1 106073797 NDMNDYQINJDEOO-NWDGAFQWSA-N 311.376 3.349 0 40 DGAB Nc1sc2c(c1C(=O)c1ccc3c(c1)OCO3)CCCC2 12398458 SBHZYFJRHHNQHT-UHFFFAOYSA-N 301.367 3.169 0 40 DGAB C=Cn1ncc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1C 57811012 JWQPQGWTVLYFQU-IBGZPJMESA-N 311.429 3.473 0 40 DGAB COc1cc(NC(=O)C(C)(C)C)ccc1-c1ccc(CO)o1 20136914 NBUVVVRFQTYPPB-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB O=C1[C@H](N[C@@H]2CCC[C@H](C3CC3)C2)CCCN1c1cccnc1 97108626 UOYFBCXMVHFOEX-LZLYRXPVSA-N 313.445 3.135 0 40 DGAB Cc1ccccc1-c1nc(NC(=O)COc2ccccc2)no1 21806600 AKTHAMXUEHLOEP-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2cccc(Cl)c2Cl)n1 58246269 NANZXGVDPNNZGB-ZCFIWIBFSA-N 300.145 3.176 0 40 DGAB COc1ccccc1-c1csc(NC(=O)c2ccncc2)n1 27757250 JWQJUMZUGZCRNH-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(C)cc2C)CC1 58382032 AGXIKDJKTLQWST-UHFFFAOYSA-N 316.445 3.024 0 40 DGAB NC(=O)c1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1 28267524 OQWDBCXAINMZFS-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB O=c1c2ccccc2nnn1C(c1ccccc1)c1ccccc1 24522920 WCLJSXUIAKKIGK-UHFFFAOYSA-N 313.360 3.429 0 40 DGAB C[C@H]1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1 20098096 PZXUNOBSZVXIMI-INIZCTEOSA-N 323.440 3.290 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C[C@H]1C=CCC1)c1cccc(F)c1 29082509 XZKZIAHVDQWYSV-SUMWQHHRSA-N 313.376 3.121 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cl)c1nnc2n1CCCCC2 29252543 MXQUUOPFUXXJLC-LLVKDONJSA-N 318.808 3.149 0 40 DGAB C[C@H]1CCCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 29509687 HHZFHJSEDIPEKF-LBPRGKRZSA-N 301.415 3.006 0 40 DGAB O=c1oc(-c2ccco2)nn1Cc1ccc(C(F)(F)F)cc1 18395679 NYZWEPBMYDAVDF-UHFFFAOYSA-N 310.231 3.163 0 40 DGAB COc1ccccc1-c1noc(CN2CCc3ccccc3C2)n1 12993335 GGEYJPILDGSNLE-UHFFFAOYSA-N 321.380 3.304 0 40 DGAB O=C(CN1CCCC[C@H]1c1ccco1)NCc1cccs1 71909416 OVNLDJACQGYKLW-AWEZNQCLSA-N 304.415 3.185 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(N2CCCCCC2)nc1 63838131 HTEDLQXOKHVDMD-UHFFFAOYSA-N 313.405 3.054 0 40 DGAB COc1cnc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1O 49544597 GRAVQZGTXJIFBH-UHFFFAOYSA-N 312.247 3.067 0 40 DGAB COc1ccccc1CN(Cc1ccccn1)C[C@@H]1CCCO1 64807247 XASSLFFXMDMNRV-SFHVURJKSA-N 312.413 3.271 0 40 DGAB CC[C@H](NC(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 5298491 OETMXBXFVOOCNE-HNNXBMFYSA-N 308.385 3.007 0 40 DGAB CN1CCN(c2ncnc3sccc23)[C@@H](c2ccccc2)C1 14128772 MQXOYPBPKFOLHK-OAHLLOKOSA-N 310.426 3.184 0 40 DGAB Cc1cc([C@H](C)NC(=O)Nc2ccc(F)c(C(N)=O)c2)c(C)o1 65621824 DCCSBDUSJMUKQY-VIFPVBQESA-N 319.336 3.017 0 40 DGAB CCCN1C(=O)[C@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 4554664 ACVUNIAZKVWVRX-XOBRGWDASA-N 323.392 3.150 0 40 DGAB C[C@H](OC(=O)c1ccc2nccnc2c1)C(=O)c1ccc(F)cc1 9267354 BKXPGJHKRUZIRO-NSHDSACASA-N 324.311 3.197 0 40 DGAB Cc1cccc(OCc2nnc(NC(=O)c3ccco3)s2)c1 4700814 RRYZCEDGIPWXGM-UHFFFAOYSA-N 315.354 3.271 0 40 DGAB CC(=O)CCCC(=O)N[C@H]1CCc2c(Br)cccc21 96012384 KBVDJJQGXRKHMQ-AWEZNQCLSA-N 324.218 3.312 0 40 DGAB O=c1c2ccsc2ncn1Cc1ccccc1Br 7495175 YNZCIEFXVHOBBK-UHFFFAOYSA-N 321.199 3.269 0 40 DGAB Cc1nc(CNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cs1 15832228 DHZQKYXRVYCGQU-GFCCVEGCSA-N 304.415 3.152 0 40 DGAB O=C(c1cc(=O)[nH]c2ccccc12)N1CCCc2ccccc21 16050547 XZSTXMUJOMPRBW-UHFFFAOYSA-N 304.349 3.121 0 40 DGAB CCn1cc(NC(=O)N[C@@H](c2ccccc2)C2CC2)ccc1=O 68597205 BNDAHMLHEHATIE-KRWDZBQOSA-N 311.385 3.141 0 40 DGAB C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1cccs1 90955319 SFZKGXDZSSASOM-JSGCOSHPSA-N 304.415 3.162 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)c2cccs2)c(C)c1 8060006 ADLKLHVTJNMQRG-UHFFFAOYSA-N 309.456 3.276 0 40 DGAB COc1ccc(C(=O)NCCSc2ccccc2)cc1F 8361353 PFQSWVXZDQZVGL-UHFFFAOYSA-N 305.374 3.356 0 40 DGAB CC[C@@H](C)N(Cc1ccccc1)C(=O)c1ccc(C(N)=O)cc1 69446554 NOMDNEVFDBEACD-CQSZACIVSA-N 310.397 3.226 0 40 DGAB Cc1ncsc1C(=O)NCc1ccc(OC(C)C)c(F)c1 69917482 KKIYKRMGURBDCU-UHFFFAOYSA-N 308.378 3.308 0 40 DGAB COc1ccc(Cc2noc(-c3cnn(C(C)C)c3C)n2)cc1 92213568 WUEMUWGRFRZOMD-UHFFFAOYSA-N 312.373 3.422 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1c1ncnc2ccccc12 71859630 OQGQDXPQGUSBCL-MRXNPFEDSA-N 307.401 3.322 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2noc(C(C)C)n2)c(C)o1 72299376 ZSTAWQFWAUZPLJ-ZDUSSCGKSA-N 303.362 3.380 0 40 DGAB Cc1ccc(CN[C@H](CO)c2ccco2)c(Br)c1 97229635 WLHMANBXJLGAKI-CYBMUJFWSA-N 310.191 3.174 0 40 DGAB O=C(NO[C@H]1CCCCO1)c1csc(-c2cccs2)n1 84444984 YDNFVOABEFBHAH-NSHDSACASA-N 310.400 3.060 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@H](C)C[C@H](O)c2ccco2)c(C)o1 95413427 LPZPWTBBOYLKAE-GMXABZIVSA-N 320.389 3.362 0 40 DGAB O=C(O)c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)s1 95989978 IGFYYSSWYQFGQX-UHFFFAOYSA-N 321.320 3.251 0 40 DGAB Cc1ccc(CNC(=O)C2CC=CC2)c(OC[C@H]2CCCO2)c1 95965140 LRVZLFYDMJORMK-QGZVFWFLSA-N 315.413 3.135 0 40 DGAB O=C(Nc1ccccc1F)N1C[C@H](O)C[C@H]1C1CCCCC1 75613021 QCQMHSUAXNTFPW-CJNGLKHVSA-N 306.381 3.373 0 40 DGAB O=C1C(=O)N(CN2CCC[C@H]2c2cccs2)c2ccccc21 23717959 ZSSJAMXVSYMUOL-AWEZNQCLSA-N 312.394 3.072 0 40 DGAB CC(=O)c1ccc(OCc2nnc(C)n2C2CC2)c(Cl)c1 119488931 ZAURDAWHQNQLAJ-UHFFFAOYSA-N 305.765 3.356 0 40 DGAB CC1=N/C(=C\c2c(C)nn(-c3ccc(C)c(C)c3)c2C)C(=O)O1 408995626 MQBYDKVGGDXQLF-MFOYZWKCSA-N 309.369 3.422 0 40 DGAB Cc1ccccc1-n1nccc1NC(=O)[C@@H]1C[C@H]1c1cccnc1 79094862 NHWJTHCNHRXKLG-JKSUJKDBSA-N 318.380 3.318 0 40 DGAB CC(=O)N(C)c1cccc(NC(=O)NCC(C)(C)C(C)C)c1 188372871 VMXXCCCNUMSLMO-UHFFFAOYSA-N 305.422 3.473 0 40 DGAB COc1ccc(NC(=O)c2nc(C)sc2CC(C)C)cn1 72405057 GQAOYMLMSBWRBD-UHFFFAOYSA-N 305.403 3.306 0 40 DGAB Cc1cc(-c2ncccc2NC(=O)C2CCOCC2)cs1 186902784 APUPULBUCHZVKE-UHFFFAOYSA-N 302.399 3.484 0 40 DGAB CC(C)(C)OC(=O)[C@@H](CCCCCCCCCN)C(=O)O 71791302 NCCBPQJYRKFTJR-ZDUSSCGKSA-N 301.427 3.108 0 40 DGAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccc(F)cc1 72228968 PVLCVQDOUWFVEJ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1occc1SCC(=O)N[C@@H]1CCOc2ccccc21 131552649 YKWROBSUFBCKSJ-CYBMUJFWSA-N 303.383 3.320 0 40 DGAB O=C(O)CCCC(=O)Cc1ccccc1C(=O)c1ccccc1 81217847 YBYBLZXXCUHBDX-UHFFFAOYSA-N 310.349 3.284 0 40 DGAB CCN1CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1 225351674 WLOTVBJTPQOAEM-UHFFFAOYSA-N 315.244 3.090 0 40 DGAB C[C@H](c1ccccc1Br)N(C)C(=O)[C@@H]1CCCO1 135132044 ZDUHVMIIKFCKLK-MFKMUULPSA-N 312.207 3.148 0 40 DGAB S=C(NC1CCCC1)NC1CCN(Cc2cccs2)CC1 225230971 ILWINOMHBDZRQV-UHFFFAOYSA-N 323.531 3.119 0 40 DGAB Cc1cccc(CNC(=O)N2CCN(c3cccc(C)c3)CC2)c1 45126372 TXPBEHAOISVBRV-UHFFFAOYSA-N 323.440 3.335 0 40 DGAB CC(C)c1nnc(CN(C)[C@H]2CCCN(c3ccccc3)C2)o1 81014399 HFTJPUUDTPGKLR-INIZCTEOSA-N 314.433 3.294 0 40 DGAB CC[C@@](C)(NC(=O)/C=C/c1cccnc1)c1nc(C)cs1 96423322 ZQGKEPATQRVJQS-KXPUMZMLSA-N 301.415 3.301 0 40 DGAB COC(=O)[C@H](C)S[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 96461770 MUBZFQSITACKJI-UWVGGRQHSA-N 324.377 3.155 0 40 DGAB CO[C@H]1CCN(Cc2nccs2)C[C@@H]1Cc1ccccc1 96111183 XPPWZDFPNOPESY-HOTGVXAUSA-N 302.443 3.223 0 40 DGAB Cc1cccc([C@@H](NC(=O)CCn2cccn2)C(F)(F)F)c1 96500593 JJDIUDNMJTUVIE-CQSZACIVSA-N 311.307 3.001 0 40 DGAB Cc1nc(C[S@](=O)Cc2ccc(-n3cccn3)cc2)cs1 96404397 KJYKKMVKUZRNMY-NRFANRHFSA-N 317.439 3.086 0 40 DGAB CCc1nnc(CNc2ccc(Cl)cc2OC(F)F)o1 97377324 LCWKBSFLKREHJY-UHFFFAOYSA-N 303.696 3.499 0 40 DGAB CC(C)c1nc2cc(NC(=O)N[C@@H]3CCC[C@H]3CO)ccc2o1 96434978 MAJOMLDCOUXTJM-WCQYABFASA-N 317.389 3.234 0 40 DGAB c1csc(CN2CCC[C@@]3(COCCN(CC4CC4)C3)C2)c1 96049469 FVIPDGQCANHFOT-GOSISDBHSA-N 320.502 3.073 0 40 DGAB CCOc1ccccc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 96418392 VDRBFBGUBNEELC-ZDUSSCGKSA-N 324.380 3.320 0 40 DGAB CC[C@@H](NCC(=O)Nc1ccncc1)c1ccc(F)cc1F 97230699 NLBYVDMCBNIPRA-OAHLLOKOSA-N 305.328 3.039 0 40 DGAB Cc1csc(CNCCOc2ncc(Cl)cc2Cl)n1 96474718 GINSUZAFCPUTFW-UHFFFAOYSA-N 318.229 3.322 0 40 DGAB CC(C)c1ccc(OCC(=O)N2C[C@@H](C)OC(C)(C)C2)cc1 98086548 PFGMKJQYAGFXTQ-CQSZACIVSA-N 305.418 3.215 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)c1cn2c(C)cccc2n1 257323969 WMPQPEPSYFIITK-OAHLLOKOSA-N 323.400 3.042 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)C2(c3ccccc3)CC2)n1 257228858 FVOGRCJGQMRTLX-MRXNPFEDSA-N 309.413 3.124 0 40 DGAB C[C@@H](C(=O)NC(C)(C)CCO)c1ccc(C(F)(F)F)cc1 252498636 RGNBQHJSOCUUTL-SNVBAGLBSA-N 303.324 3.086 0 40 DGAB Cc1cc(Br)cnc1-c1ncn([C@@H]2CCCCO2)n1 642882563 MSAKZFNXBNKPLJ-NSHDSACASA-N 323.194 3.110 0 40 DGAB CCOc1ccc(CNc2cccc3c2CCNC3=O)c(C)c1 657496449 PMDSVYUMDYWNHH-UHFFFAOYSA-N 310.397 3.292 0 40 DGAB CNC(=O)c1ccc(-c2ccc([C@@H]3OCCN[C@H]3C)cc2)cc1C 585124220 HFXSXAJJWOPBDQ-IFXJQAMLSA-N 324.424 3.071 0 40 DGAB COc1cccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)c1 5252229 ONMGQVYOVJRAFD-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB CCn1c([C@H](NC(=O)c2cccc(C)c2)C(C)C)n[nH]c1=S 5445065 NDJVEXCXKSSSOZ-CYBMUJFWSA-N 318.446 3.396 0 40 DGAB Cc1cc([C@H]2CCCCCN2C(=O)c2nn(C)cc2Cl)on1 12133882 ZRWUCODGLWLSMH-GFCCVEGCSA-N 322.796 3.127 0 40 DGAB COc1ccc(OC)c(C(=O)Nc2cc(C)nn2C(C)C)c1 13657094 PSNNARBAPNARKY-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB COc1cc(C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@H]2C 13339978 YCQBSXRADODLES-BTDLBPIBSA-N 312.321 3.474 0 40 DGAB biogenic,in-vitro Cn1cccc1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112800 QZWRVCZKIOCYAR-KRWDZBQOSA-N 307.353 3.385 0 40 DGAB CN(C(=O)c1ccc2nc(C(C)(C)C)cn2n1)C1CCCCC1 1888865676 LRJDOURIGYOHAP-UHFFFAOYSA-N 314.433 3.432 0 40 DGAB Cc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)c(C)c1 853976910 DAMGPSDTCBFMNT-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB O=C1C[C@H](C(=O)N2CCCc3ccc(F)cc32)c2ccccc2N1 40117309 CCXLOWRGMJLTFD-HNNXBMFYSA-N 324.355 3.231 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)OCC(C)C)cc1OC(F)F 40521106 GVOIHHNLQUKQTN-SNVBAGLBSA-N 317.332 3.296 0 40 DGAB CCCS(=O)(=O)c1ccccc1C(=O)NC1CCCCCC1 20613005 BPNMJSVUVOOUIL-UHFFFAOYSA-N 323.458 3.323 0 40 DGAB N=c1sccn1CC(=O)Nc1ccccc1Cc1ccccc1 101715152 HRNLKLFKZCCRKX-UHFFFAOYSA-N 323.421 3.259 0 40 DGAB O=C1C[C@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 317897 UDNNFSVJWRDNBF-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)NCC1(c2ccccc2)CC1 32920841 MGKKEDGEYMTMEP-INIZCTEOSA-N 309.409 3.440 0 40 DGAB COC(=O)c1ccc(OC(=O)c2cc(Cl)ccc2OC)cc1 37088 LVUDZYTWINMYLM-UHFFFAOYSA-N 320.728 3.354 0 40 DGAB O=c1/c(=C\c2ccccc2Cl)sc2nc3ccccc3n12 58366 LSMPFFSYANAQSU-NTEUORMPSA-N 312.781 3.110 0 40 DGAB O[C@H](COc1ccc2ccccc2c1Cl)Cn1ccnc1 110623 GSNNOKDBTTZMEU-ZDUSSCGKSA-N 302.761 3.130 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1OC 496620 DTINBBCUBVWMAV-ZRDIBKRKSA-N 311.381 3.376 0 40 DGAB CCCc1nnc2c3cnn(-c4cccc(Cl)c4)c3ncn12 539055 OVRALUMCWQTKHW-UHFFFAOYSA-N 312.764 3.069 0 40 DGAB CC(=O)Nc1cc(C(=O)OCC(=O)c2cccs2)ccc1C 555866 ZXTLWYXOFXOYGS-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB O=C1N[C@H](c2ccc(O)cc2)Nc2sc3c(c21)CCCC3 2501665 PREXXSUAMALXGI-AWEZNQCLSA-N 300.383 3.187 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1 3297210 INOZCWDJRQNMJR-UHFFFAOYSA-N 316.788 3.407 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)c(C)c1 3435310 PZNULTVUCXKRQT-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB COc1cccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)c1 4508122 HXVZCEVQDGRMKW-PTNGSMBKSA-N 309.321 3.048 0 40 DGAB O=S(=O)(Oc1ccccn1)c1cc(Cl)ccc1Cl 4891891 SYWTXAFZSPQFPI-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@@H]1c1ccccn1 4910134 MYPCFYGMHXGXSO-INIZCTEOSA-N 308.341 3.020 0 40 DGAB C[C@H]1CC=CC[C@@H]1COC(=O)C(=O)OC[C@@H]1CCC=C[C@@H]1C 4933496 RNKIHWNYGOGDOP-JONQDZQNSA-N 306.402 3.277 0 40 DGAB O=C(NC/C=C\Br)Nc1cnc2ccccc2c1 5010925 FLBYEMCMKHMZTI-UTCJRWHESA-N 306.163 3.265 0 40 DGAB Cc1ccc(C(=O)Nc2sc(C)c(C)c2C(N)=O)cc1C 5144875 RAGCJQLCJNTMAM-UHFFFAOYSA-N 302.399 3.333 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 5345336 JIWJUFBYJVGTGE-ZDUSSCGKSA-N 305.809 3.035 0 40 DGAB O=C(Nc1ccccc1)OCCNC(=O)c1cccc(Cl)c1 5947388 ZTFKKPBCYSTZED-UHFFFAOYSA-N 318.760 3.319 0 40 DGAB CCOc1cc([C@H]2NN=C(c3ccccc3)S2)ccc1O 6464588 XVMUQCOSFXTXPI-INIZCTEOSA-N 300.383 3.488 0 40 DGAB Cc1ccc2[nH]c(S[C@H](C)C(=O)Nc3cc(C)on3)nc2c1 7061209 UIVWBLTWBWKNLT-SNVBAGLBSA-N 316.386 3.287 0 40 DGAB C[C@@H](Sc1nnc(C2CC2)n1C)C(=O)NC1CCCCCC1 7172556 ZLLQUQKNZIQAJV-LLVKDONJSA-N 322.478 3.012 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)cc1 8118298 RWOFJLREJMJAJE-CQSZACIVSA-N 310.397 3.081 0 40 DGAB O=C(NOCc1ccccc1)c1ccc(Br)s1 10318806 CVSVNWZAOZWMTA-UHFFFAOYSA-N 312.188 3.372 0 40 DGAB c1ccc(CN2Cc3ccccc3OC3(CCOCC3)C2)nc1 12088438 QUUOTOCPBINWRX-UHFFFAOYSA-N 310.397 3.025 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)N[C@H](C)c1ccco1 12796207 GCXFEDYWJNMCGX-CHWSQXEVSA-N 302.374 3.356 0 40 DGAB CCCn1c(C)c(C(=O)OCC)c(O)c(-c2ccccc2)c1=O 13111818 ANVQNIVPZWXYHV-UHFFFAOYSA-N 315.369 3.116 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)c2ccc(O)cc2O)cc1 16248410 VFDWYEMMEHDDDK-UHFFFAOYSA-N 317.366 3.031 0 40 DGAB O=C(Nc1nccs1)c1cnn(Cc2ccccc2Cl)c1 16468273 GOEPSRJKKYBUFN-UHFFFAOYSA-N 318.789 3.294 0 40 DGAB CCOc1ccccc1C(=O)N1CCN(c2ccccc2C)CC1 20189981 DVSSBLFJPMSGLJ-UHFFFAOYSA-N 324.424 3.356 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)Nc1ccccc1O 22024282 QIKOPNKEIOMRDB-UHFFFAOYSA-N 311.366 3.471 0 40 DGAB Cn1nc2c(c1NC(=O)/C=C/c1ccccc1Cl)CCC2 23135663 BHIJBWLEEZRSSR-MDZDMXLPSA-N 301.777 3.214 0 40 DGAB Cc1cc(C)c2oc(=O)cc(CN3C[C@H](C)O[C@@H](C)C3)c2c1 23643744 GPKXOXKYDFBUGR-KBPBESRZSA-N 301.386 3.019 0 40 DGAB biogenic CCc1cc(C(=O)NCCc2ccc3c(c2)OCO3)sc1C 24074007 IZXOGHHGBMOYQL-UHFFFAOYSA-N 317.410 3.320 0 40 DGAB COc1ccc(Cl)cc1CC(=O)N[C@H](C)c1ccccn1 25405139 GYSHJXRQJGJQMK-LLVKDONJSA-N 304.777 3.164 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCO3)c(C)c1 26543583 YKMQLYPLLDNCRR-UHFFFAOYSA-N 317.410 3.348 0 40 DGAB CC(=O)c1sc(NC(=O)[C@H]2C[C@@H]2c2ccccc2)nc1C 28573098 HAYVAGVGKRZPSS-OLZOCXBDSA-N 300.383 3.396 0 40 DGAB O=C(Nc1nc(CN2CCCCCC2)cs1)c1ccccn1 29635111 RQDSDZQWQLSVIR-UHFFFAOYSA-N 316.430 3.166 0 40 DGAB O=C(Nc1ccc(-c2nc3cnccc3o2)cc1)C(F)(F)F 32104474 XHURVZJCJUHHBV-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB Cn1c(SCCCN)nnc1-c1ccc(C(C)(C)C)cc1 32199403 PYBYKSSXBRPFJL-UHFFFAOYSA-N 304.463 3.221 0 40 DGAB C[C@H](CCCC(C)(C)O)N[C@H]1CCN(c2ccc(F)cc2)C1 32529740 RHZUSEZBRZQAGM-ZBFHGGJFSA-N 308.441 3.324 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1ccc(Br)o1 38565838 SWMFBOGNGONFMB-MRVPVSSYSA-N 314.204 3.465 0 40 DGAB CC(C)COc1ccc(C(=O)O)cc1I 39951780 AOVWUOOHZQQYPC-UHFFFAOYSA-N 320.126 3.024 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)c1cc2cc(F)ccc2[nH]1 40062200 NPYOHYVNZPIFCP-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H]2CCCC[C@H]2C1 40553230 IOBBQTBKVACFBM-HIFRSBDPSA-N 311.385 3.389 0 40 DGAB C[C@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccco1 44895305 RIFAUSXZDCYKRW-BBRMVZONSA-N 324.384 3.163 0 40 DGAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3ccncc3)C2)o1 49170567 YTQHESRJPNBXAV-AWEZNQCLSA-N 324.359 3.260 0 40 DGAB biogenic,in-vitro Cc1noc(C)c1CC(=O)N1CCC[C@H]1Cc1ccc(F)cc1 55999176 GAPNTJFZEXTDJK-INIZCTEOSA-N 316.376 3.207 0 40 DGAB C[C@H](C(=O)N[C@@H]1CCc2ccccc21)N1CCc2ccccc21 58166876 RWFBMROCHVQRQU-RDTXWAMCSA-N 306.409 3.241 0 40 DGAB Cc1cccc(CCNC(=O)C2(c3ccccc3)CCOCC2)c1 58278233 FOIYLTWCLVLFKG-UHFFFAOYSA-N 323.436 3.402 0 40 DGAB O=C(Cc1noc2ccccc12)NCc1cc2ccccc2[nH]1 58900826 VLOULBMFUXKEDO-UHFFFAOYSA-N 305.337 3.168 0 40 DGAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1cccc[n+]1[O-] 60769207 GTUYFIATOIDWRE-UHFFFAOYSA-N 302.333 3.144 0 40 DGAB C[C@@H](N)[C@@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 63193305 NCTFUGXKQYIQQV-MFKMUULPSA-N 300.324 3.047 0 40 DGAB Cc1ccc(-c2cc(CN3CCn4c(nc(C)c4C)C3)on2)cc1 65474352 WWOMZVXDJDDREN-UHFFFAOYSA-N 322.412 3.479 0 40 DGAB OCc1nc2ccccc2n1Cc1cc(-c2ccccc2)on1 67767866 ZQOHZHKCIOERBZ-UHFFFAOYSA-N 305.337 3.232 0 40 DGAB C[C@@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 68269208 KLYASIRPRGKAGN-ZDUSSCGKSA-N 306.369 3.305 0 40 DGAB CCN(Cc1c(F)cccc1F)C(=O)CCCc1nc(C)no1 69489023 IWCDHEHROZKZIO-UHFFFAOYSA-N 323.343 3.028 0 40 DGAB CC(C)Cc1cc(C(=O)N(Cc2cccnc2)C(C)C)[nH]n1 69631595 WZEROJBVGRBQCY-UHFFFAOYSA-N 300.406 3.054 0 40 DGAB CCN(Cc1ccoc1)C(=O)NCc1ccc(C)c(OC)c1 69774786 OFQRITSXCKTWBD-UHFFFAOYSA-N 302.374 3.328 0 40 DGAB COc1ccc(NC(=O)c2ccc(OC(C)C)cc2)c(N)c1 70462832 GSHOHSBZMZDORU-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB Cc1c(NC(=O)c2ccc(O)nn2)cccc1OC1CCCC1 71847626 YQLJRYQVTZFYCF-UHFFFAOYSA-N 313.357 3.064 0 40 DGAB Cc1cc(C)cc([C@@H](C)NC(=O)N[C@@H](C)c2cn(C)nc2C)c1 71885952 KDKUHZMSMKNIGG-KGLIPLIRSA-N 314.433 3.467 0 40 DGAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cccc(F)c1F 71896759 UHFXZZVBQROPBN-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1 72228034 IZCKXAJNPAQZSN-JKSUJKDBSA-N 300.789 3.318 0 40 DGAB CC(=O)N(C)c1ccccc1NCCOc1cccc(F)c1 72301940 KWUASBIMIIUNKH-UHFFFAOYSA-N 302.349 3.299 0 40 DGAB CCc1ccc(C(=O)OCC(=O)NCc2cccc(C)c2)cc1 72333906 ANEFUYFVRNRCTF-UHFFFAOYSA-N 311.381 3.031 0 40 DGAB C[C@@H](NC(=O)CCn1ccnn1)c1ccc(-c2ccccc2)cc1 73966838 NTVZERNKVHUCRM-OAHLLOKOSA-N 320.396 3.213 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1cccc(CCC(=O)O)n1 74941252 UVYRREJXGKUNRH-CQSZACIVSA-N 320.389 3.171 0 40 DGAB CC[C@@H](NC(=O)NCc1ccncc1)c1cc(F)ccc1F 76020157 WHTCZRLSSARNSW-OAHLLOKOSA-N 305.328 3.310 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)NC2CCC(O)CC2)c1C 78932844 NNKRPLNHUVLVPX-LEOMRAHMSA-N 316.445 3.453 0 40 DGAB CSC[C@@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 80421626 XFYJVHUOJWDAGQ-ZWNOBZJWSA-N 313.513 3.290 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)o1 83825351 YGSQEIZEGQNODG-GFCCVEGCSA-N 301.346 3.080 0 40 DGAB c1ccc(-n2ccc(CCNCc3cccc4cn[nH]c34)n2)cc1 84019471 ZDUSUPPIHDLALA-UHFFFAOYSA-N 317.396 3.081 0 40 DGAB CC(C)(C)C[C@@H](CO)NC(=O)c1occc1-c1ccccc1 89643000 DBUPHDYTOMNFJO-AWEZNQCLSA-N 301.386 3.474 0 40 DGAB CNC(=O)c1ccc(NC(=O)CCc2ccc(C)o2)c(Cl)c1 95447363 ZHLVCNQUGFQSNI-UHFFFAOYSA-N 320.776 3.172 0 40 DGAB COc1ccc([C@H](O)[C@@H](C)Nc2ncnc3cccc(C)c23)cc1 95975974 ROKYXDOQJNMMHS-FZKQIMNGSA-N 323.396 3.481 0 40 DGAB O=C(OC[C@@H]1CCN(c2ccccc2)C1)c1cn2ccccc2n1 96442376 SDVGWKTWISGSTO-OAHLLOKOSA-N 321.380 3.018 0 40 DGAB O=C1CCCc2ccc(NS(=O)(=O)c3ccccc3)cc21 96455501 DSAICLOWYOIFHU-UHFFFAOYSA-N 301.367 3.006 0 40 DGAB COc1cccc([C@@H](OC(=O)c2cccnc2)c2ccncc2)c1 97082776 ARGAEEODSRPBEN-SFHVURJKSA-N 320.348 3.432 0 40 DGAB O=C(NCc1ccncc1)N[C@H](C1CCCC1)C(F)(F)F 97377925 PKHQOBMECVCBSA-GFCCVEGCSA-N 301.312 3.002 0 40 DGAB O=S(=O)(c1ccc(Br)cc1)c1cccc(F)c1 98086097 MAZKBEBXAXOVPK-UHFFFAOYSA-N 315.163 3.421 0 40 DGAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O 100122390 XKCUGIDTRZDJEQ-HZPDHXFCSA-N 310.397 3.194 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(OC)cc3)C2=O)cc1 101275786 NOBWLCZSPNMNQD-KRWDZBQOSA-N 324.380 3.002 0 40 DGAB C[C@H]1COCCN1c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102742749 JKUQSUGEBRZENR-YRBFXIGRSA-N 312.413 3.062 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccccc3F)n3nnnc3N2)cc1C 102800181 BNDXHJIVNLZZGD-QGZVFWFLSA-N 321.359 3.485 0 40 DGAB Cc1ccc(C2=C[C@@H](c3ccccc3F)n3nnnc3N2)cc1C 102800186 BNDXHJIVNLZZGD-KRWDZBQOSA-N 321.359 3.485 0 40 DGAB C[C@H](NC(=O)c1cc(O)nc2ccccc12)[C@H]1C[C@H]2CC[C@H]1C2 107325486 IQZIOBLUWYVRBK-PWNZVWSESA-N 310.397 3.495 0 40 DGAB CS[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[C@H](C(=O)NC(C)C)C1 108357712 VNOZQQBCJYOWKV-XUWVNRHRSA-N 312.523 3.334 0 40 DGAB Cc1ccsc1C(=O)N1CCC[C@H](CC(=O)OC(C)C)C1 184281480 GRVIXCXCDQYWKU-CYBMUJFWSA-N 309.431 3.250 0 40 DGAB CNCC(=O)Nc1ccc(OCc2cccc(Cl)c2)cc1C 195543414 ZAUWYPDCYZAAPJ-UHFFFAOYSA-N 318.804 3.385 0 40 DGAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)cc1Cl 223980699 LFATYLCVMWFACB-UHFFFAOYSA-N 315.822 3.127 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)NCCC1=CCCCC1 225743195 JOZMOWIEJIBWIA-UHFFFAOYSA-N 324.424 3.317 0 40 DGAB CNc1cc([C@@H]2CCCN2Cc2ccc(Cl)cn2)nc(C)n1 257203812 ARSSJACUHOLEAV-HNNXBMFYSA-N 317.824 3.212 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1Cc1c(C)nc2sccn12 257225826 FHZXOXLQTKUXAP-CYBMUJFWSA-N 315.446 3.463 0 40 DGAB CCCn1cc(CN2CCCC[C@H]2c2ccn3ccnc3n2)cn1 257279910 OIQXUPMATDKYNR-KRWDZBQOSA-N 324.432 3.063 0 40 DGAB COc1cccc(C(=O)N2CCC(Cc3ccncc3)CC2)c1 257287219 PPAHLGLDKUWOBE-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB CC[C@](CNC(=O)c1ccc(C)s1)(C(=O)O)c1ccccc1 262896473 CLSRSTCOVZYKBK-QGZVFWFLSA-N 317.410 3.219 0 40 DGAB c1cncc(-c2cnc3n2C[C@@H]2CN(Cc4ccsc4)C[C@@H]32)c1 306127467 FZCZJOXRMGOYII-JKSUJKDBSA-N 322.437 3.236 0 40 DGAB O=C(O)[C@H](c1cccnc1)N1CCC(c2ccsc2)CC1 563283129 OQOXBJWHCCITNY-HNNXBMFYSA-N 302.399 3.148 0 40 DGAB CO[C@@H]1C[C@@H](c2ccccc2)CC[C@H]1NC(=O)c1ccsn1 566660410 NMFLYEFXYVSNKB-SQWLQELKSA-N 316.426 3.224 0 40 DGAB O=C(O)[C@@H](Cc1ccccc1)NCc1ccc(F)c2cccnc12 1601659394 JHKVTVHAYPIWEP-QGZVFWFLSA-N 324.355 3.159 0 40 DGAB O=C(O)CC(=O)N[C@H](c1ccc(F)cc1)c1ccccc1Cl 1601886211 AYZSILCEIPOJOH-MRXNPFEDSA-N 321.735 3.159 0 40 DGAB C[C@@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@H]1CCC2=O 490687 XRCFMDPVHKVRDJ-HRAJDOBDSA-N 300.398 3.266 0 40 DGAB biogenic Cc1sc(NC(=O)c2ccc(Cl)cc2)c(C(N)=O)c1C 493301 UPSNMXPZDIEAEW-UHFFFAOYSA-N 308.790 3.370 0 40 DGAB CC1(C)[C@]2(C(=O)NCc3ccc(Cl)cc3)CC[C@@]1(C)C(=O)O2 613127 MCVRZCJRXAOBRC-DLBZAZTESA-N 321.804 3.078 0 40 DGAB CSc1nc(NC(N)=O)c2c3c(sc2n1)CCCCC3 3680454 ZKRVZRSERIVGFO-UHFFFAOYSA-N 308.432 3.173 0 40 DGAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccc(OC)cc1)C2 4085160 TWUZBTKJFURUHE-LBPRGKRZSA-N 314.337 3.296 0 40 DGAB biogenic Cc1ccccc1CSC1=NS(=O)(=O)c2ccccc2N1 4329620 VVENGPWFESGMQV-UHFFFAOYSA-N 318.423 3.399 0 40 DGAB Cc1cccn2c(=O)nc(SCc3cccc(Cl)c3)nc12 4504228 IXBIJPOEGVPYJR-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)COC(=O)c2ccc(Cl)cc2)[C@@H]1C 5077611 CHEXVYIUURWCFG-JMSVASOKSA-N 323.820 3.438 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@@H](c2ccco2)N2CCCC2)o1 5704801 QHJWXRGONUWWMY-FDMDGMSGSA-N 314.385 3.148 0 40 DGAB CCCCn1nc(C(=O)Nc2ccccc2)c2ccccc2c1=O 6593051 CGGNPDVCAHXCDN-UHFFFAOYSA-N 321.380 3.449 0 40 DGAB Cc1noc(C)c1C(=O)OCCCC(=O)c1ccc(F)cc1 7016418 QYJMULOTQCRSOT-UHFFFAOYSA-N 305.305 3.250 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@H]1CCOc2ccccc21 7280188 CQIBYOSFXGGSIW-ZDUSSCGKSA-N 300.358 3.360 0 40 DGAB O=S(=O)(NCCC1=CCCCC1)c1ccc2c(c1)CCC2 7376300 JPEUARYNJUBMCE-UHFFFAOYSA-N 305.443 3.344 0 40 DGAB CCc1ccc(-c2nc(CSc3nnnn3C)cs2)cc1 7466290 FFLVDQYYIBDQKJ-UHFFFAOYSA-N 317.443 3.188 0 40 DGAB CNc1nc(-c2ccc(I)cc2)cs1 8225503 LCXLEWNYHDXUAM-UHFFFAOYSA-N 316.167 3.456 0 40 DGAB Cc1nnc(NC(=O)[C@H](C)Nc2ccc(F)c(Cl)c2)s1 8389622 MJPPSVHEWVVNKW-LURJTMIESA-N 314.773 3.078 0 40 DGAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2C)n1 8476592 DQUCYQVNZAHNCB-UHFFFAOYSA-N 320.396 3.383 0 40 DGAB Cc1ccc(-c2nonc2NC(=O)COc2cccc(C)c2)cc1 8869590 XCYXNWDCDZBXTI-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CCOc1ccccc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 9608024 UDNONYZLORBZRM-UHFFFAOYSA-N 324.380 3.230 0 40 DGAB CCCSc1nnc(NC(=O)NC2CCCCC2)s1 9743833 BGVFIWKDVWTEIR-UHFFFAOYSA-N 300.453 3.494 0 40 DGAB CN1CCC[C@@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 9876635 YHODADAONDZXDP-JTQLQIEISA-N 316.232 3.457 0 40 DGAB Cc1cc(OCC(=O)Nc2ccc(C(=O)O)cc2)ccc1Cl 10776579 PIJSMKFMVCHRHJ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)N1CCc2sccc2C1 10885453 BYJQQESTRWENSO-DUXPYHPUSA-N 313.378 3.075 0 40 DGAB CC[C@@H](Nc1cccc(C(C)=O)c1)C(=O)Nc1cc(C)on1 12562359 CTJNNQVYKMLVJM-CQSZACIVSA-N 301.346 3.015 0 40 DGAB CN(CCNC(=O)c1ccc(Cl)cc1F)c1ccccc1 12588150 SWTXFEDWYRUNFV-UHFFFAOYSA-N 306.768 3.345 0 40 DGAB Cc1nc2ccccc2c(-n2cccn2)c1CCn1cccn1 13220942 NWVIOLGQKQXJCL-UHFFFAOYSA-N 303.369 3.168 0 40 DGAB O=C1CCN(Cc2ccccc2)CCN1Cc1cccc(F)c1 13267117 YFCDHFHFGUZFBG-UHFFFAOYSA-N 312.388 3.060 0 40 DGAB CCN(CC)C(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 13568875 GHNJHCWBJBDONO-UHFFFAOYSA-N 320.396 3.416 0 40 DGAB Cc1ccc(C)c(O[C@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1 13710902 XKSUCKFUQPVSSE-CYBMUJFWSA-N 313.353 3.408 0 40 DGAB Cc1cc(C)nc(NC(=S)NCc2ccc(Cl)cc2)n1 13935697 VRFXAZLARFJGHX-UHFFFAOYSA-N 306.822 3.233 0 40 DGAB CCc1nnc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)s1 14117375 GBSLAMGBOFEPGQ-UHFFFAOYSA-N 300.387 3.451 0 40 DGAB COCCNCc1ccc(OCc2cccc(C)c2)c(OC)c1 16349327 CSTXBGJWSFTYPD-UHFFFAOYSA-N 315.413 3.319 0 40 DGAB COCCNC(=O)c1ccccc1OCc1ccccc1Cl 17321396 GFGDKMXNFKJQMJ-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB Cc1cc(OCC(=O)Nc2ccc(SC(F)F)cc2)no1 18113875 OOELRGPEEPWCCE-UHFFFAOYSA-N 314.313 3.315 0 40 DGAB CC(C)(C)c1noc([C@H]2CCN(Cc3ccc(F)cc3)C2)n1 19084620 LDFRYVYRYLQATE-ZDUSSCGKSA-N 303.381 3.496 0 40 DGAB O=C1N[C@]2(CCc3ccccc31)CCN(CC1CCCCC1)C2 19375224 WJROMKHAXIPRGI-HXUWFJFHSA-N 312.457 3.387 0 40 DGAB COc1ccc(C2(NCc3c(C)nc4sccn34)CC2)cc1 19555100 MQNMZSQWBVVANR-UHFFFAOYSA-N 313.426 3.492 0 40 DGAB COc1ccc(C(=O)NCc2ccccc2-n2ccnc2C)cc1 20104475 RGSYYGZGTZYZHH-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 21036828 VDNXVYFZOZSOAJ-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)c1ccoc1C 21597937 OYSXJWCXEXJPTD-NSHDSACASA-N 300.358 3.369 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCc2sccc2[C@H]1C 21638625 MBQXPZZIHAMCLI-LLVKDONJSA-N 304.415 3.431 0 40 DGAB CCCc1n[nH]c(SCc2cc(=O)c3cc(F)ccc3[nH]2)n1 21649604 UBFSNLIDUTTZMO-UHFFFAOYSA-N 318.377 3.030 0 40 DGAB Cc1c(-c2nc(-c3ccccc3)no2)sc2nc[nH]c(=O)c12 21730320 PYZBXSQRLGCTCK-UHFFFAOYSA-N 310.338 3.010 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)Nc1cc(C(C)(C)C)ccc1O 22130972 IRTPWXYZGUBYHW-UHFFFAOYSA-N 315.417 3.221 0 40 DGAB CCn1c(SCc2csc(C)n2)nc2ccccc2c1=O 22532839 XHKDRCHDZOONSS-UHFFFAOYSA-N 317.439 3.474 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N(C)Cc2ccccc2Cl)on1 22910812 DXQJWCOMIFXADT-NSHDSACASA-N 307.781 3.095 0 40 DGAB COCCCNC(=O)[C@H](C)Sc1cc(C)c2ccccc2n1 23410043 ZWWKNFLAWZCSQG-ZDUSSCGKSA-N 318.442 3.177 0 40 DGAB Cc1nnc(COC(=O)C2(c3cccc(F)c3)CCCC2)o1 24905978 HZXRDHWJICKKMW-UHFFFAOYSA-N 304.321 3.072 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc(CN3CCCC3)o2)c1 27984379 UEVSXSVULDLLNF-UHFFFAOYSA-N 312.369 3.330 0 40 DGAB O=C(N[C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1F 32911516 SVNMXUCAGGKOLK-INIZCTEOSA-N 312.388 3.220 0 40 DGAB COc1cc(CN)cc(Br)c1OCc1ccccc1 37506426 XUIUGWKIMWUHPY-UHFFFAOYSA-N 322.202 3.495 0 40 DGAB in-vitro CCOC(=O)CCCCCCNC(=O)Nc1ccc(F)cc1 40146040 CJNJGLPHCGGBLO-UHFFFAOYSA-N 310.369 3.461 0 40 DGAB C[C@@H](CNC(=O)C(=O)Nc1ccccc1Cl)c1ccccc1 42645675 VFOGJXMNSASBAR-LBPRGKRZSA-N 316.788 3.198 0 40 DGAB Cc1cc(Br)ccc1NC(=O)NCc1ccncc1 43449181 CPOLJLJHOFWZGX-UHFFFAOYSA-N 320.190 3.474 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1ccsc1 46912789 FRQYIJRVMFSSOB-CZUORRHYSA-N 315.394 3.252 0 40 DGAB CC[C@H](Nc1nccc(-c2c(C)nn(C)c2C)n1)c1ccncc1 48246290 RIYWTUYRQLMPSH-HNNXBMFYSA-N 322.416 3.452 0 40 DGAB O=C(/C=C/c1ccco1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 49509796 GFUFBVCGSLDKFW-BQYQJAHWSA-N 322.364 3.231 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)s1 56084709 AWWKEMLMSWULEU-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB Cc1nn(C)c2c(NCCc3ccccc3)nc(C3CC3)nc12 57356031 RYJHSUWPYGKFJA-UHFFFAOYSA-N 307.401 3.204 0 40 DGAB CCSCc1ccc(C(=O)NC[C@H]2CCN(C(C)C)C2)cc1 58210375 UDNHRXNTVLARFU-MRXNPFEDSA-N 320.502 3.400 0 40 DGAB Cc1ccc(C(=O)Nc2nc3c(s2)C(=O)CCC3)cc1F 60362199 NVGWHRMLXGBZSP-UHFFFAOYSA-N 304.346 3.362 0 40 DGAB Cc1cccc2nc(C(=O)Nc3ccc4c(c3)CCCN4C)cn12 64846620 QIXIPOZPWQRVAA-UHFFFAOYSA-N 320.396 3.277 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1nccc2ccccc12 68919440 KSDRNMXCNPJKBQ-MRXNPFEDSA-N 304.349 3.488 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H](n4cccn4)C3)c[nH]c2c1 69418259 CCOZPXXONIMQLK-MRXNPFEDSA-N 322.412 3.079 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)NCC2CCCCC2)c1 69492688 ZKHHOIDOHHHKJG-UHFFFAOYSA-N 303.406 3.090 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)C[C@@H](C)n2cccc2)c1 71871999 QGJFMZBXJHKHBC-SJORKVTESA-N 314.433 3.025 0 40 DGAB CCOC(=O)[C@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 71908383 ZCDLSFNGSBEUPQ-ZDUSSCGKSA-N 312.369 3.302 0 40 DGAB Cc1ncc2c(n1)CCC[C@H]2NC(=O)c1cc2ccccc2[nH]1 72242512 YPOBTCFZDPGKPL-MRXNPFEDSA-N 306.369 3.074 0 40 DGAB CC[C@H]1CCCCCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 72292611 ZIKMLDIFYPYAGI-LBPRGKRZSA-N 307.369 3.111 0 40 DGAB CC(=O)N1CCC[C@@H](CCc2ccnc(Nc3ccccn3)c2)C1 72378190 CCWSHYXSPPYHCT-KRWDZBQOSA-N 324.428 3.411 0 40 DGAB CSc1ccc(NC(=O)CCn2ccccc2=O)cc1Cl 75091915 UMVPVZMGXVGLML-UHFFFAOYSA-N 322.817 3.252 0 40 DGAB C[C@H](NC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1)C(=O)N1CCCCC1 78569105 HGWWFWDPESEGLQ-OWCLPIDISA-N 322.493 3.356 0 40 DGAB CO[C@@H]1CCC[C@H]1OC(=O)CCC(=O)c1ccc(F)cc1F 78985449 AMRWISRQJGAMGO-HUUCEWRRSA-N 312.312 3.038 0 40 DGAB Cc1cnc(C[S@@](=O)Cc2nc(-c3ccsc3)oc2C)o1 85224872 YTTOSCBKVMEXCI-OAQYLSRUSA-N 322.411 3.457 0 40 DGAB CCOC(=O)c1cnn(-c2ccc(C)cc2C)c1Br 85395125 VIGOIIYQGRKLIO-UHFFFAOYSA-N 323.190 3.428 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(F)c1F 89949028 MMJMPRCCRMWXRT-BLLLJJGKSA-N 322.399 3.092 0 40 DGAB CC(C)n1cnnc1CNCc1cccc(OC2CCCC2)c1 95410516 YAWVBFWKAONUNS-UHFFFAOYSA-N 314.433 3.470 0 40 DGAB C[S@@](=O)c1nncn1Cc1ccc(C2CCCCC2)cc1 95414705 FFWYBOUUPVDBRK-NRFANRHFSA-N 303.431 3.112 0 40 DGAB C[C@@H](NC(=O)Nc1cnc(C2CC2)nc1)[C@@H]1COc2ccccc21 95437904 UGEBUXPIJZDQSO-ABAIWWIYSA-N 324.384 3.040 0 40 DGAB CCC(CC)C(=O)Nc1ccc(CN2CCC(O)CC2)cc1 95448051 MQLVKOVUNSCXMS-UHFFFAOYSA-N 304.434 3.018 0 40 DGAB Cc1c(C(=O)N2CCCC[C@@H]2CO)cccc1-c1ccccn1 95985669 XCMHXZUVVFTPKM-OAHLLOKOSA-N 310.397 3.044 0 40 DGAB C[C@@H](Oc1ccc(S(C)(=O)=O)cc1)c1nc2ccccc2o1 95993760 RMIIHJOSLXOPNW-LLVKDONJSA-N 317.366 3.371 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3cccc(C)c3)no2)cc1 96105677 MQLXKHFFVIYXDF-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB Cc1cccc(CN2CC[C@@]3(CCN(c4ccccn4)C3)C2=O)c1 96159599 YKELURIHJGZTSG-FQEVSTJZSA-N 321.424 3.019 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2cc(C(F)(F)F)ccc2F)o1 97015291 RKNVQYJHYPBYNZ-ZCFIWIBFSA-N 318.226 3.454 0 40 DGAB O[C@@H](CNCc1c[nH]nc1-c1cccs1)c1ccccc1F 97159179 KZDYWAPIEFPWOT-AWEZNQCLSA-N 317.389 3.101 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)CCCOC(C)C)o1 97371627 PSGMIEBTJUZPOK-CQSZACIVSA-N 311.447 3.410 0 40 DGAB C[C@H](CCNC(=O)N1CCC2(CCOCC2)C1)c1ccccc1 98014461 FEFZRSGBDMKEDF-MRXNPFEDSA-N 316.445 3.392 0 40 DGAB Clc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)cc1 100820800 OVHNKGXSBPVNEO-OAHLLOKOSA-N 309.760 3.383 0 40 DGAB Cc1cc(C)cc(C[C@@H]2CC(=O)N(c3cccc(C)n3)C2=O)c1 103442232 SEAVCISFIFNPDC-MRXNPFEDSA-N 308.381 3.129 0 40 DGAB O[C@H](CN1CC[C@H](c2ccccc2)C1)c1cc(F)ccc1F 106577084 OMEWPFPWQIRGJZ-KBXCAEBGSA-N 303.352 3.488 0 40 DGAB Cc1ccc(N2C(=O)C[C@]3(C[C@@H]4C=C[C@@H]3C4)C2=O)cc1Cl 136345043 GXOZXNMLJNKKHT-QFSBIZTOSA-N 301.773 3.494 0 40 DGAB CCNc1nnc(S[C@@H]2CCc3ccccc3NC2=O)s1 191739849 AYMWJZBWGTXDEG-LLVKDONJSA-N 320.443 3.016 0 40 DGAB COc1ccccc1-c1nnc(-c2cnc(C3CC3)nc2C)o1 216610389 DQVJHOHQXJEZMR-UHFFFAOYSA-N 308.341 3.388 0 40 DGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)[nH]1 222853799 AVJXXSNCLUKHOS-GJZGRUSLSA-N 300.431 3.099 0 40 DGAB Cc1ccc(NC(=S)N[C@H](C)COc2ccccc2C)nc1 225638570 OLIHCELISXGBFC-CQSZACIVSA-N 315.442 3.452 0 40 DGAB CSCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@H]3C2(C)C)c1 245289701 DNLWUFGFVIYDLE-RBSFLKMASA-N 320.458 3.485 0 40 DGAB Cc1c[nH]c([C@@H]2COCCN2Cc2ccc(F)cc2Cl)n1 257220810 DMGDSQIGKCVHFC-AWEZNQCLSA-N 309.772 3.084 0 40 DGAB O=C(c1cccc(OC(F)F)c1)C(F)(F)Br 381273923 WKWVTCKLQRJTSL-UHFFFAOYSA-N 301.033 3.458 0 40 DGAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OC(C)C 408812794 PNJGBLROFQDZFT-JYRVWZFOSA-N 307.371 3.149 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)CN1CC(C)(C)[C@@H]1[C@@H]1CCCO1 580380383 HFPFVCLENJKBPG-BQFCYCMXSA-N 324.509 3.207 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccc2)[C@H](C)C(=O)O)oc1C 580876264 HEQJYCGPZRDANK-GFCCVEGCSA-N 301.342 3.012 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](C)N([C@@H](C(=O)O)c2cccnc2)C1 583505313 AHORMFMWEVRMHI-QGPMSJSTSA-N 310.397 3.394 0 40 DGAB O[C@@H]1[C@@H](NCc2cccc(F)c2)CCC[C@H]1Oc1ccccc1 585288704 IEQXJJKZNLRWCF-IPMKNSEASA-N 315.388 3.276 0 40 DGAB CN(c1ccccn1)C1CCN(C(=O)CCc2ccccc2)CC1 1889139867 RKBUXVPWAAMVPW-UHFFFAOYSA-N 323.440 3.142 0 40 DGAB COc1cccc(N2C(=O)N[C@H]3C[C@]2(C)Oc2ccccc23)c1 422966 XLPXYYQWJCMIMP-YJBOKZPZSA-N 310.353 3.465 0 40 DGAB COC(=O)c1ccc(CSc2nc(C)nc3c2CCC3)cc1 12016901 FPUROMFSVKWODA-UHFFFAOYSA-N 314.410 3.353 0 40 DGAB Clc1cncc(N2CCC[C@@H]2c2ccc3c(c2)OCO3)n1 78774487 WZBFQJXVKFFRPE-LLVKDONJSA-N 303.749 3.200 0 40 DGAB CC[C@@H]1CCN(C(=O)c2ccc(NC(=O)NC(C)C)cc2)C1 79071492 HWBYNVWNYUXANX-CYBMUJFWSA-N 303.406 3.089 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)C(=O)OC 534792 KNVOFFWRUKSPRE-RNCFNFMXSA-N 312.797 3.358 0 40 DGAB COc1cc(C)ccc1OCC(=O)NCc1ccccc1Cl 3431870 NDZGLXGWXDXVKZ-UHFFFAOYSA-N 319.788 3.352 0 40 DGAB COC(=O)[C@@]1(C)CCc2c(ccc3c2CCCC3)[C@@H]1CC(=O)O 4721422 HKCZEVZPAZQRCP-LPHOPBHVSA-N 316.397 3.249 0 40 DGAB C[C@@]12CC[C@H](O)CC1=CC[C@@H]1[C@@H]2CC[C@@]2(C)NC(=O)CC[C@H]12 4983595 FOMMZXSAOZSXPW-DNEVWPOVSA-N 303.446 3.179 0 40 DGAB O=C1c2ccccc2S(=O)(=O)N1c1cccc2ccccc12 6496666 AJRJWVQDQBPPAZ-UHFFFAOYSA-N 309.346 3.189 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccccc1C 8344071 AENMOIJHISTXSA-UHFFFAOYSA-N 310.397 3.268 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@@H]1c1ccc(F)cc1 8845609 IYGOMZSGAWKQHM-KRWDZBQOSA-N 323.327 3.096 0 40 DGAB CC(=O)Oc1ccc(C(=O)Nc2nnc(C(C)(C)C)s2)cc1 917350 SULUIESKKJGURP-UHFFFAOYSA-N 319.386 3.013 0 40 DGAB COc1ccccc1NC(=O)C[C@H](CC(=O)O)c1ccccc1 57658260 SIJWNQUWKPGGLA-CQSZACIVSA-N 313.353 3.282 0 40 DGAB COCC(=O)Nc1ncc(Cc2ccc(F)c(Cl)c2)s1 24990297 KKVWPDYNGZKZLL-UHFFFAOYSA-N 314.769 3.111 0 40 DGAB C[C@H](NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)[C@@H]1CCOC1 108381625 BJIRPKVCBYFXBX-HBNTYKKESA-N 310.360 3.078 0 40 DGAB Cc1c(Cl)c(CN2CC[C@@H](C(=O)O)C2)nc2ccccc12 62133837 DYEJHZFXAAOZHO-LLVKDONJSA-N 304.777 3.103 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(Cc3ccsc3)CC2)n1 44585969 MDJQHOHYQYAVGT-ZDUSSCGKSA-N 320.462 3.133 0 40 DGAB C[C@H]1CN(C(=O)c2cccnc2Oc2ccccc2)C[C@@H](C)O1 27339579 MRKDCUYFLDYVQM-OKILXGFUSA-N 312.369 3.123 0 40 DGAB COc1ccc(-c2cc(C(=O)Nc3cccc(C)n3)no2)cc1 27579925 WOPLUPOSWGFMJE-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1CCCO1)c1ccc(Br)cc1 36063519 CEDNUWDZFYOVCB-OLZOCXBDSA-N 312.207 3.195 0 40 DGAB O=C(CCc1ccccc1)NCc1cccnc1N1CCCCC1 58269076 RHNKYTNRBPUMKM-UHFFFAOYSA-N 323.440 3.321 0 40 DGAB CCN1CC[C@@]2(CCCN(Cc3ccccc3C)CC2)C1=O 108531381 DFPHKOSVKDINQF-IBGZPJMESA-N 300.446 3.220 0 40 DGAB COc1cccc2c1N(C(=O)C(=O)c1ccc(C)cc1)CCC2 36393794 ZDLVOTVYLLQZTQ-UHFFFAOYSA-N 309.365 3.166 0 40 DGAB C[C@@H]1c2cccn2CCN1Cc1ccc(C(=O)N2CCCC2)cc1 28748803 SWOFMGAKKUSMLH-MRXNPFEDSA-N 323.440 3.301 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@H]1CCCN(Cc2ccccc2)C1 62231216 YLBVRAHUSSSVHW-IEBWSBKVSA-N 312.457 3.371 0 40 DGAB C[C@@H](NC(=O)c1cccnc1S)c1ccc(-n2ccnc2)cc1 29326849 WWDKAFXTZFUGRJ-GFCCVEGCSA-N 324.409 3.047 0 40 DGAB Cc1ccc(CNC(=O)CN2CCc3sccc3[C@@H]2C)cc1 12859636 NDCXJGQKQLTASU-AWEZNQCLSA-N 314.454 3.292 0 40 DGAB Cc1cc(C)cc(CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)c1 3460885 NUJBFVZYHPJIOJ-IBGZPJMESA-N 308.381 3.271 0 40 DGAB CCc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 12975524 PXSVWEWMPIQFSH-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB O=C(NCCCn1ccnc1)Nc1ccc(Cl)cc1Cl 4025256 SXBJRYDXUKRXFV-UHFFFAOYSA-N 313.188 3.402 0 40 DGAB CC(C)Cc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1 8937173 GCWNYWRKSUCBMN-UHFFFAOYSA-N 310.397 3.165 0 40 DGAB COc1ccc(NC(=O)CCc2cc(C(C)=O)c(C)o2)cc1 8980365 UOAWZSOBNAOROS-UHFFFAOYSA-N 301.342 3.371 0 40 DGAB COc1ccc(OC)c(C(=S)NCc2ccccc2C)c1 408572232 HNPNMNVGZIAHGX-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB COc1cc(Cl)cc2c1OCC(=O)N(c1ccc(F)cc1)C2 65184534 NTEFJGDLIUSWLD-UHFFFAOYSA-N 321.735 3.413 0 40 DGAB COc1cccc(CNC(=O)c2cc3cc(OC)ccc3[nH]2)c1 13858076 DJHYMQILZWODDG-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB COc1ccc(C(=O)OCc2cc3ccc(C)cc3[nH]c2=O)cc1 5219333 IGLLSMWXPMMCCR-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB C[C@@H](OC(=O)c1ccc(CO)cc1)c1nnc(-c2ccccc2)o1 5317875 TYQSHJZJJKYYPQ-GFCCVEGCSA-N 324.336 3.147 0 40 DGAB COc1ccc(-c2nnc(COc3ccc(F)cc3)o2)cc1 14215796 WSXWUXJBVHRWPZ-UHFFFAOYSA-N 300.289 3.463 0 40 DGAB COC(=O)c1cnc2c(-c3ccc(Cl)cc3)c(C)nn2c1C 66087655 SSSICASSWVVDJD-UHFFFAOYSA-N 315.760 3.453 0 40 DGAB Cc1ccc2ncnc(N3CCC[C@H]3C(=O)OC(C)(C)C)c2c1 97162096 ZHSPTSHUOCHQCB-HNNXBMFYSA-N 313.401 3.249 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccc(F)cc2)n1CC(C)C 9328470 ZYWKWSRYSSXPSM-UHFFFAOYSA-N 322.409 3.112 0 40 DGAB O=S(=O)(NCCC1=CCCCC1)c1ccc(F)c(F)c1 7376258 RVGIHYIGERGAHR-UHFFFAOYSA-N 301.358 3.134 0 40 DGAB Cc1ccc2cccc(NC(=S)NC(=O)C(C)(C)C)c2n1 7388572 DVKAYBAJIOQFSE-UHFFFAOYSA-N 301.415 3.402 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCc1nc2ccc(F)cc2[nH]1 80869894 GFVDFBNUEMGBLA-UHFFFAOYSA-N 322.343 3.042 0 40 DGAB C/C(=N\Nc1nc(C)cc(=O)[nH]1)C12CC3CC(CC(C3)C1)C2 7891657 DUZWMQNLAJCAEN-RGVLZGJSSA-N 300.406 3.083 0 40 DGAB Cc1cc(=O)oc2cc(OC(=O)/C=C/c3cccn3C)ccc12 7814199 MMSRMBPSRDEVIY-VMPITWQZSA-N 309.321 3.059 0 40 DGAB CN(C(=O)CN1Cc2ccccc2[C@H](c2ccccc2)C1)C1CC1 70040757 FHMBEWJXSSYDIN-FQEVSTJZSA-N 320.436 3.255 0 40 DGAB CCc1ccc(C(=O)CCC(=O)N=c2[nH]c3ccccc3[nH]2)cc1 17303679 BMKDIJDOGGOUFA-UHFFFAOYSA-N 321.380 3.149 0 40 DGAB CCc1ccc(NC(=O)Cn2ccc(=O)c3ccccc32)cc1 69970954 PIGLMYCFYMXCRS-UHFFFAOYSA-N 306.365 3.203 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H]1c2ccccc2C(=O)N1CC(=O)O 9846850 QKYZPTYJVJRMRM-GOSISDBHSA-N 320.348 3.106 0 40 DGAB COC[C@H](NC(=O)N[C@@H](C)c1csc(C)n1)c1ccc(C)o1 84195185 ZQPIKLQTVUILCZ-JQWIXIFHSA-N 323.418 3.101 0 40 DGAB CC(C)(O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 97047976 FTTHFQIHRSOXRU-UHFFFAOYSA-N 321.323 3.210 0 40 DGAB Cc1ccc(CNc2ccc(S(C)(=O)=O)cc2)c(N(C)C)c1 97085999 SKTDQFRBOMYNDV-UHFFFAOYSA-N 318.442 3.077 0 40 DGAB CCCN(CC1CC1)C(=O)C1CCN(c2nccs2)CC1 72235835 DRXCCYUDZJHHLY-UHFFFAOYSA-N 307.463 3.008 0 40 DGAB COCc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)o1 97335633 VUXFKPNHIXLPLA-UHFFFAOYSA-N 315.373 3.064 0 40 DGAB C[C@@H](CC(=O)N1CCC[C@H]1c1noc(C2CC2)n1)n1cccc1 84636708 IEYKKLYQJHKDDI-JSGCOSHPSA-N 314.389 3.063 0 40 DGAB CN1CC[C@H](NC(=O)c2ccoc2)[C@@H]1c1ccc(Cl)c(F)c1 95437869 VWZROAWNMDUTLY-GJZGRUSLSA-N 322.767 3.247 0 40 DGAB C[C@@H](C(=O)Nc1n[nH]c2c(Cl)cccc12)C1CCOCC1 95440001 UGGOZAHPYJMOKM-SECBINFHSA-N 307.781 3.218 0 40 DGAB c1ccc(C[C@H](NCc2nnc3n2CCCCC3)C2CC2)cc1 95419381 RLJDOLBPQHYECT-KRWDZBQOSA-N 310.445 3.115 0 40 DGAB C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 95978203 KXYJLFLMABIJNV-CXAGYDPISA-N 313.376 3.075 0 40 DGAB C[C@H](SC[C@H](C)CO)C(=O)Nc1cc(Cl)ccc1F 74788150 SLDDLFUIGHKUSO-BDAKNGLRSA-N 305.802 3.168 0 40 DGAB COCc1nc(C)cc(Sc2ncnc3ccsc23)n1 75041334 DKTPNYJLDIEJKQ-UHFFFAOYSA-N 304.400 3.087 0 40 DGAB Brc1ccc(CN2CCOc3cccnc32)s1 75094593 BSLVARHYHRUVIF-UHFFFAOYSA-N 311.204 3.305 0 40 DGAB C[C@H](CCCO)NC(=O)N[C@H](C)Cc1ccc2ccccc2c1 89895405 IYMLUBKOBWNHGU-HUUCEWRRSA-N 314.429 3.231 0 40 DGAB CCc1nc(N)c2c(n1)C[C@@H](c1ccc(Cl)cc1)CC2=O 408712598 AEHVQFFKOJMXFY-SNVBAGLBSA-N 301.777 3.187 0 40 DGAB CCCCC(=O)NC(=S)Nc1c(C)ccc2nsnc12 408573175 MNQPCFYNEOOWJC-UHFFFAOYSA-N 308.432 3.003 0 40 DGAB Cc1nc(CC(C)C)oc1C(=O)NC[C@H]1CCCO[C@H]1C(C)C 188954297 WGHMRWZVKFVCJJ-ZBFHGGJFSA-N 322.449 3.363 0 40 DGAB CCn1ncc2ccc(NC(=O)N3CCO[C@@](C)(CC)C3)cc21 189878730 QUIVMPQWMPRGMT-KRWDZBQOSA-N 316.405 3.089 0 40 DGAB CCOC(=O)c1cc2c(I)cccc2o1 71256402 IMISXOYVZBCOFT-UHFFFAOYSA-N 316.094 3.214 0 40 DGAB CC(C)c1ccccc1NC(=O)c1ccc(N2CCCC2)nn1 75172607 CDVARXAFMISXGW-UHFFFAOYSA-N 310.401 3.453 0 40 DGAB CCCC(=O)N1CCC(c2nnc(-c3ccc(F)cc3)o2)CC1 38903538 SLPQWHRGTBCABX-UHFFFAOYSA-N 317.364 3.382 0 40 DGAB C[C@H](c1cccnc1)N(C)Cc1cc2ccccc2n(C)c1=O 568350219 UGJMUPKALWKMJM-CQSZACIVSA-N 307.397 3.127 0 40 DGAB COc1cccc(CN2CCN(c3nc4ccccc4o3)CC2)c1 340143012 GEBWTSKWTSDDNG-UHFFFAOYSA-N 323.396 3.159 0 40 DGAB CN(C)C[C@H](NC(=O)c1sccc1Cl)c1ccccc1 225492534 IMTYAWMYUYASFM-ZDUSSCGKSA-N 308.834 3.434 0 40 DGAB COc1cccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1 225430393 RIQRVUSFIAYCKZ-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB CCOc1ccc(CNC(=O)[C@@H](C)c2c(C)n[nH]c2C)cc1C 131741652 YHBTVJQSXIVXGW-LBPRGKRZSA-N 315.417 3.154 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccc(Br)cc3)=NN[C@@H]2C1 228939289 ZVDYUHLWFOFRDR-DGCLKSJQSA-N 321.218 3.130 0 40 DGAB CCOC(=O)c1cccc(Br)c1Br 47202748 GBGOOSVSPZDQOO-UHFFFAOYSA-N 307.969 3.388 0 40 DGAB O=C(Cc1cccc(O)c1)NCc1ccccc1OC1CCC1 96411476 RQLCUZPFSGZQNH-UHFFFAOYSA-N 311.381 3.182 0 40 DGAB CCc1cnc([C@@H](C)NCc2nc(-c3ccco3)no2)s1 96502757 NRQIGSDOSIMTAG-SECBINFHSA-N 304.375 3.199 0 40 DGAB CC(C)N(C)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 95416140 OKNYGKZJDYTEJR-UHFFFAOYSA-N 300.362 3.486 0 40 DGAB CCC1=C(C(=O)NCc2c(C)noc2C)Cc2ccccc2O1 96427164 KCXCXJGXGXHSRB-UHFFFAOYSA-N 312.369 3.207 0 40 DGAB O=C(CSCc1ccncc1)NCCOC1CCCCCC1 96411268 UMFHUKSKBKMOGS-UHFFFAOYSA-N 322.474 3.170 0 40 DGAB c1cncc(OCC[C@H]2CCOC23CCN(C2CCC2)CC3)c1 253588734 QEQMZIWZLZDQDT-INIZCTEOSA-N 316.445 3.274 0 40 DGAB CN(Cc1cnc([C@@H]2CCCCO2)nc1)Cc1ccccc1F 257212005 CBNFNVHMOXPBNU-KRWDZBQOSA-N 315.392 3.489 0 40 DGAB CC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(C(=O)O)c2)c1 257316337 VFDOOSLWKPWWBF-QGZVFWFLSA-N 310.353 3.130 0 40 DGAB CSC[C@H](C)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 585130158 JLXZRYFNLMDJGI-BPUTZDHNSA-N 319.470 3.027 0 40 DGAB Cc1nc(-c2cccc(C(=O)O)c2)cc([C@H]2CCCCN2C)n1 257343821 ZUOGMPQGVTWYHI-QGZVFWFLSA-N 311.385 3.307 0 40 DGAB CCCCn1cc(CN2CCC[C@H](c3[nH]ncc3C)C2)c(C)n1 257250315 JMAHIDKXNMJZMK-INIZCTEOSA-N 315.465 3.403 0 40 DGAB CC[C@@](C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC 500271348 WPBMHLXBURPAEQ-CYBMUJFWSA-N 304.173 3.065 0 40 DGAB O=C(NCCn1cccc1)c1cccc(Oc2ccccn2)c1 96122640 FYZPOGVCZDLOSN-UHFFFAOYSA-N 307.353 3.105 0 40 DGAB COc1cccc2c1CCCCN2C(=O)c1ccnc(C2CC2)n1 677167389 AZVOAIBLWOXNNA-UHFFFAOYSA-N 323.396 3.346 0 40 DGAB Cn1cccc1C(=O)Cn1c(C(F)(F)F)nc2ccccc21 28192527 RQONEIITJKWRCO-UHFFFAOYSA-N 307.275 3.277 0 40 DGAB Cc1cccc(C(=O)NCc2cccc(N3CCCCC3=O)c2)c1 55662045 FOVODJAOALKKFG-UHFFFAOYSA-N 322.408 3.442 0 40 DGAB CC(C)(C)c1nc2ccc(NC(=O)N3CC[C@@H](O)C3)cc2s1 88391486 WQLXVPHXJSIYCC-LLVKDONJSA-N 319.430 3.192 0 40 DGAB COC(=O)CC1CCN(Cc2ccc3cc(F)ccc3n2)CC1 96837482 LWBNKPYMTXWLJK-UHFFFAOYSA-N 316.376 3.149 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)C[C@@H](C)c1nccs1 97108318 OAWKLWNRABNFRF-GHMZBOCLSA-N 320.462 3.239 0 40 DGAB Cc1nc(S[C@H](C)C(=O)N(C)C)c2c(C)c(C)sc2n1 11135552 HUEFQGYJIQHVJT-SECBINFHSA-N 309.460 3.185 0 40 DGAB Cc1ccc(NC(=O)c2ccc(-c3nnn[nH]3)cc2)c(Cl)c1 12756852 LLKUIAPYFRFMNG-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)NCCCN1CCCCC1 13669845 HDQPQUMYUFRJMQ-OAHLLOKOSA-N 306.475 3.159 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NC1CCCCCC1 14291472 PXLPRZHRHXLWES-UHFFFAOYSA-N 301.839 3.482 0 40 DGAB Clc1ccc(OCC2CCN(Cc3c[nH]cn3)CC2)cc1 19656959 JBEONJOLKYMGOO-UHFFFAOYSA-N 305.809 3.354 0 40 DGAB COc1ccccc1-c1nnc(CN[C@H]2CCCC[C@@H]2C)o1 162408759 CRWYEIAFULYWPF-JSGCOSHPSA-N 301.390 3.414 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc2ccccc12 169305905 VIUCACLIKCQYBA-ZUBXJJBOSA-N 315.372 3.397 0 40 DGAB CCC(CC)n1nc(C(=O)N(C)Cc2cnn(CC)c2)cc1C 537332432 TWRTXRGBLDDSGG-UHFFFAOYSA-N 317.437 3.041 0 40 DGAB C=Cc1ccc(Cn2c(=O)n3nc(C)nc3c3ccccc32)cc1 1888962731 TWWYWHHUVVITCQ-UHFFFAOYSA-N 316.364 3.044 0 40 DGAB c1ccc(N2C[C@H]3CCN(c4nc5ccccc5s4)[C@H]3C2)nc1 1889191968 FVVJBGZQRFIBOE-HIFRSBDPSA-N 322.437 3.406 0 40 DGAB CC[C@@H](NC(=O)c1cnccn1)c1ccc(Br)cc1 17825440 CFONWRCAXQHTGM-GFCCVEGCSA-N 320.190 3.120 0 40 DGAB O=C(CSc1nccn1C1CCCC1)NCc1ccccc1 7415986 UMDZUJKQAQZLMA-UHFFFAOYSA-N 315.442 3.407 0 40 DGAB CCNC(=O)Cc1csc(SCc2ccc(C)cc2)n1 8936111 BIDRKUUUMVBCDT-UHFFFAOYSA-N 306.456 3.422 0 40 DGAB COc1ccc(-c2cc(CNC(=O)c3cccs3)no2)cc1 12638234 XWYQCYWFPBELKH-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cn1nccc1[C@H]1CCCCN1C(=O)/C=C/c1cccs1 1775966459 FSNFHANGEPOHIO-MVGZEHJDSA-N 301.415 3.249 0 40 DGAB Cc1nc2ccccn2c1C(=O)N1CC[C@H](c2ccccc2)C1 38567079 GANNNTSMADBJHR-INIZCTEOSA-N 305.381 3.272 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nc(-c2ccco2)cs1 44442906 NZGOBOGDSDOFAR-UHFFFAOYSA-N 303.343 3.189 0 40 DGAB CC(C)COCCCNC(=O)Nc1ccc(OC(F)F)cc1 40024048 TVGSVLJIUQSDND-UHFFFAOYSA-N 316.348 3.472 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)Nc1cccnc1 40474232 VIQJVIANZJQFPT-CQSZACIVSA-N 316.430 3.102 0 40 DGAB O=C(NCc1ccco1)[C@@H]1CCCN1Cc1ccccc1Cl 31557448 IKATVIXWWKMTID-INIZCTEOSA-N 318.804 3.214 0 40 DGAB Cc1ccc(F)c(NC(=O)NC[C@H](O)c2ccc(F)cc2)c1 40526372 NOCHMTXHXMHKHL-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB C/C=C/C=C/C(=O)Nc1cccc(NC(=O)c2ccncc2)c1 31965062 DUWQPYMCJXTOQX-CRBCFSCISA-N 307.353 3.405 0 40 DGAB Cn1ccc(NC(=O)COc2ccc3oc4ccccc4c3c2)n1 32765321 VXGRBMNOAQFUCR-UHFFFAOYSA-N 321.336 3.337 0 40 DGAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)NCC2CCCCC2)n1 21691860 LTUOGYUPWQKUNV-NSHDSACASA-N 310.467 3.105 0 40 DGAB COc1ccc(C(=O)N2CCC(C)CC2)cc1Br 38385 QVUNHCMSRZKJMO-UHFFFAOYSA-N 312.207 3.330 0 40 DGAB COC(=O)c1cnc(-c2ccc(C)cc2)nc1-c1cccnc1 1393477 CSLXQYOGXQIKFN-UHFFFAOYSA-N 305.337 3.301 0 40 DGAB O=C(CN1CCc2ccccc21)NCc1ccccc1Cl 2625677 WXEQAHHHBXQXCW-UHFFFAOYSA-N 300.789 3.019 0 40 DGAB CCC(=O)c1ccc(OCC(=O)NCc2ccc(C)cc2)cc1 3422938 QQDCGJBNMXDAKU-UHFFFAOYSA-N 311.381 3.283 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccc(Cl)cc1 3454452 FLPJUKGLWMPBAD-OAHLLOKOSA-N 318.804 3.500 0 40 DGAB CC(=O)Nc1ccccc1OCc1nnc(-c2cccs2)o1 3477400 XPYVNFPIHVAADQ-UHFFFAOYSA-N 315.354 3.336 0 40 DGAB CCC[C@H](C)NC(=O)CSc1nnc(-c2ccccc2)o1 3602648 IXNVDUKHPHXEAI-NSHDSACASA-N 305.403 3.134 0 40 DGAB Cc1cc(SCc2ccc(Br)cc2)[nH]c(=O)n1 4314799 GNOHGNLNPRJKNV-UHFFFAOYSA-N 311.204 3.133 0 40 DGAB C[C@@H]1OP2(CN3CCCCC3)(O[C@@H](C)[C@@H](C)O2)O[C@@H]1C 4785882 LZWFWEKZNLLNOD-KPWCQOOUSA-N 305.355 3.291 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccc(C)c(C)c2)o1 4943110 PJIOYTBYRJMRAB-UHFFFAOYSA-N 305.403 3.370 0 40 DGAB CCCNC(=S)N1CCC(C(=O)c2ccc(F)cc2)CC1 4966885 RTIRTFFXCJGYQL-UHFFFAOYSA-N 308.422 3.005 0 40 DGAB CCCc1nnc(NC(=O)CNc2cc(C)ccc2C)s1 5261286 YIPKYJDMKWWUSP-UHFFFAOYSA-N 304.419 3.158 0 40 DGAB Cc1cc(C)cc(CSCC(=O)NCc2cccnc2)c1 5336827 DFBWSMOZBNYFIC-UHFFFAOYSA-N 300.427 3.248 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2C)NC(=O)N1 5517352 WXZPCTZPRMTBOW-QGZVFWFLSA-N 321.380 3.262 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2ccsc2)c1C 6423676 AMGCLIYYUNBCRI-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB CNc1c(NC(=O)c2cccc(OC)c2)c(=O)oc2ccccc12 6826572 SBZUOCHODRZKSK-UHFFFAOYSA-N 324.336 3.096 0 40 DGAB COC[C@@H](C)n1c(SCC(C)C)nc2ccccc2c1=O 6851206 FSSKUUFKBAANNE-GFCCVEGCSA-N 306.431 3.352 0 40 DGAB COc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1 7027243 KNYUUDYZNUETAA-UHFFFAOYSA-N 321.490 3.104 0 40 DGAB Fc1ccccc1CNn1c(-c2ccccc2)n[nH]c1=S 7601538 RIAAMBSYKSQVEH-UHFFFAOYSA-N 300.362 3.490 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 7829464 MWKMJVVLECYQBT-SNVBAGLBSA-N 301.367 3.236 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1 8259556 WFIQTHDFHSOHPN-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1cccc(-c2nn3c(=O)c(-c4ccccc4)nnc3s2)c1 8393655 KUOMLWLUWJHODJ-UHFFFAOYSA-N 320.377 3.188 0 40 DGAB Cc1cc(COC(=O)C2=Cc3cc(Cl)ccc3OC2)no1 8519938 UFSUTRIMWDZLME-UHFFFAOYSA-N 305.717 3.156 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cc3nc(C)ccc3o2)c1 8798702 XAEMEBZTQSQPLV-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(F)cc1F 8939993 MNUPNKVGDIOVAA-UHFFFAOYSA-N 319.307 3.357 0 40 DGAB O=C(CN1CCc2sccc2C1)Nc1c(F)cccc1F 10341013 DZEYYFOHBWGTMJ-UHFFFAOYSA-N 308.353 3.023 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 13224445 WYHUVOXUTOXZHS-AWEZNQCLSA-N 309.321 3.379 0 40 DGAB NC(=O)c1ccc(NC(=O)c2ccc(N3CCCCC3)cc2)cc1 14401965 AAOZIJLIVLKJTR-UHFFFAOYSA-N 323.396 3.028 0 40 DGAB CCn1nnc(NCc2ccc(OCc3ccc(C)cc3)cc2)n1 15356936 PRDUTUDPRYRZQW-UHFFFAOYSA-N 323.400 3.193 0 40 DGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)[C@@H]1CC=CCC1 15758867 RVEXGBHSJGZPRW-OAHLLOKOSA-N 300.402 3.057 0 40 DGAB CC[C@H](Nc1cc(C)ccc1OC)C(=O)Nc1cc(C)on1 22356396 YJPXEMQYKCOLPJ-LBPRGKRZSA-N 303.362 3.129 0 40 DGAB O=C1Cc2cc(NC(=O)Nc3ccc(Cl)cc3)ccc2N1 22506455 MTSOXNPKVCBICB-UHFFFAOYSA-N 301.733 3.479 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cnn(C)c2)cc1 24393427 PKTFLGFLDBVZBE-KRWDZBQOSA-N 313.401 3.186 0 40 DGAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)c1ccco1 27344125 PWURRPXOPHZAHK-OAHLLOKOSA-N 318.804 3.500 0 40 DGAB CC[C@@H](C)NC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 28231268 ZTBABMYRDRXKBK-GFCCVEGCSA-N 321.808 3.410 0 40 DGAB CC1(C)NC(=O)N(CCSc2ccc(C(C)(C)C)cc2)C1=O 31444376 AEUSIQZSBJXWHF-UHFFFAOYSA-N 320.458 3.407 0 40 DGAB CC1(C)Cc2cccc(OCCC(=O)Nc3cccnc3)c2O1 31549029 PTXFNAFBJLEWNO-UHFFFAOYSA-N 312.369 3.203 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1C 32688925 DQVJBDGQALFLRS-SFHVURJKSA-N 314.404 3.475 0 40 DGAB Cc1cc(NC(=O)COc2ccccc2C(F)(F)F)no1 32854430 YCCTVZDEDITCCL-UHFFFAOYSA-N 300.236 3.019 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)Cc1ccccc1Cl 32930649 AORQZGONUHOLDB-SNVBAGLBSA-N 306.793 3.235 0 40 DGAB COc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1OC 33418771 FVCRNVMPUWTAGD-UHFFFAOYSA-N 318.354 3.087 0 40 DGAB CCS(=O)(=O)c1ccc(Sc2ccccc2C(=O)O)cc1 35348209 YTHRMBWUTZGQQZ-UHFFFAOYSA-N 322.407 3.330 0 40 DGAB in-vitro C1=C[C@]2(CCNC2)Oc2cc(OCCc3ccccc3)ccc21 36141903 JRECODUFRXOTCJ-HXUWFJFHSA-N 307.393 3.446 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc3cc(F)ccc3[nH]2)c1 36396756 WEZYODNPAKDUOH-UHFFFAOYSA-N 312.300 3.346 0 40 DGAB COC(=O)c1ccc(OCc2nc3ccccc3nc2C)cc1 36879656 VZSPPWBSBQDZCS-UHFFFAOYSA-N 308.337 3.304 0 40 DGAB O=C(C1CCCC1)N1CCN(Cc2ccc(Cl)s2)CC1 40162111 BCCMJSOKDJMCBQ-UHFFFAOYSA-N 312.866 3.236 0 40 DGAB COC[C@@H](C)N(C)C(=O)c1sc2nc(C)cc(C)c2c1C 44970001 FJNCWQPVWHTLDV-LLVKDONJSA-N 306.431 3.328 0 40 DGAB Cc1cc([C@H]2CCCN2Cc2nc(-c3cccs3)no2)on1 47273543 JRKQJONFLICFAH-LLVKDONJSA-N 316.386 3.432 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(F)cc2F)C1 47416375 QVRMNTSWPAPDJC-CHWSQXEVSA-N 310.388 3.063 0 40 DGAB Cc1ccc(CNCc2ccc(-n3nc(C)cc3C)nc2)cc1 48742482 NRPCOFXJLSWDOV-UHFFFAOYSA-N 306.413 3.482 0 40 DGAB Cn1cnn(CN[C@H](c2ccc(F)cc2)C(C)(C)C)c1=S 57087816 HBMJVOBZWVMEFX-CYBMUJFWSA-N 308.426 3.425 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)C(C)(C)C(=O)N3C)c(C)o1 57280486 CZFCXOIRDZDQLG-UHFFFAOYSA-N 312.369 3.403 0 40 DGAB O=C(Nc1nccs1)[C@@H]1CCCN(CCc2cccs2)C1 58201459 ZMOQOJQOVLSRSC-GFCCVEGCSA-N 321.471 3.098 0 40 DGAB O=C(Nc1cccc2ccccc12)N(CCO)CC(F)(F)F 58291600 JKAGPFNNIOLFSW-UHFFFAOYSA-N 312.291 3.228 0 40 DGAB Cc1ccc(Cc2cnc(NC(=O)c3csnn3)s2)cc1 58292419 XJLKLVLBZPBPGQ-UHFFFAOYSA-N 316.411 3.146 0 40 DGAB COCCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@@H]1C 65493076 SDMOXDCBIPQHGS-ZDUSSCGKSA-N 300.402 3.430 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@H](C)c3ccccc3)nn2)cc1C 67261908 OKSJMELOGNDZOK-OAHLLOKOSA-N 320.396 3.375 0 40 DGAB COc1cccc(CN[C@@H](C)[C@H](C)n2cccn2)c1OC(C)C 69368902 RCSSSUHYGBSBJY-GJZGRUSLSA-N 317.433 3.418 0 40 DGAB CCO[C@H](C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)n[nH]1 69416437 HCAWORHUBKQWEL-SECBINFHSA-N 323.780 3.102 0 40 DGAB CN(C)C(=O)Cc1csc(-c2cccc(C(F)(F)F)c2)n1 69561138 LZKANBVMMZKAPB-UHFFFAOYSA-N 314.332 3.460 0 40 DGAB Cc1[nH]c2ccccc2c1CCNC(=O)N(C)Cc1ccncc1 69740186 SPDOBFFYKBXZPT-UHFFFAOYSA-N 322.412 3.255 0 40 DGAB CCCCN(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1 70980151 CQBPZWMSIRGEGU-AWEZNQCLSA-N 315.866 3.129 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2cccc(F)c2)cn1 71796715 MBRMBQQRWHBJAL-IKGGRYGDSA-N 313.376 3.026 0 40 DGAB O=C([C@H]1C[C@@H]1c1ccco1)N1CCCN(Cc2ccccc2)CC1 71835191 VNEOFUMXQMVJTB-ROUUACIJSA-N 324.424 3.118 0 40 DGAB O=C(Nc1cnn(CC(F)F)c1)NC1(c2ccccc2)CCC1 71921434 FIIWTFFPAQUEPG-UHFFFAOYSA-N 320.343 3.349 0 40 DGAB N=C(NCc1ccccc1)NCc1nc(-c2ccncc2)cs1 72301899 XQTVCOLGMXOOQD-UHFFFAOYSA-N 323.425 3.019 0 40 DGAB Cc1nnc(-c2ccccc2NC(=O)CC[C@@H]2CC[C@@H](C)O2)o1 74244426 XZYVZEBSUMEPDC-YPMHNXCESA-N 315.373 3.331 0 40 DGAB COCC[C@H](C)NC(=O)[C@H](C)c1ccc(Br)s1 79889714 UPJAYHPHICPOMW-DTWKUNHWSA-N 320.252 3.155 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@@H]2CCN(C(C)C)C2)c(C)s1 84081839 PHPHJYWSUBMQTR-GXTWGEPZSA-N 309.479 3.208 0 40 DGAB Cc1cnc(CSc2n[nH]c(/C=C/c3ccccc3)n2)cn1 84258510 BWLBYWARLMKIOG-BQYQJAHWSA-N 309.398 3.366 0 40 DGAB COC[C@H](NC(=O)N[C@@H]1c2ccccc2C[C@H]1C)c1ccco1 84718096 SPGWKJZZOBCEPK-PVUWLOKVSA-N 314.385 3.200 0 40 DGAB Cc1cc(C[C@@H](C)NC(=O)c2cc3ccc(Cl)cc3[nH]2)n[nH]1 89599206 DUWSQKBNNULSFZ-SECBINFHSA-N 316.792 3.214 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@H]1C[C@H]1C1CCCCC1 89818259 HLLJTPXNCRYWMP-GJZGRUSLSA-N 317.433 3.355 0 40 DGAB C[C@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@@H]1CO 89852876 IQSYWFOIOSZRLC-GXFFZTMASA-N 316.323 3.330 0 40 DGAB O=C(N[C@H]1CC=CCC1)N(CCCO)[C@@H]1CCc2ccccc21 89858110 OJDWNGNRGKAHFC-FUHWJXTLSA-N 314.429 3.177 0 40 DGAB CCN(CC)c1ncc(CN2CCC[C@@H](c3cn[nH]c3)C2)s1 92809446 ZBMVXOYKJPNALO-CYBMUJFWSA-N 319.478 3.092 0 40 DGAB C/C=C/C[S@](=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 95417654 JJRXZCJPRGXEQU-QWULXUQOSA-N 313.850 3.184 0 40 DGAB C[C@@H](CSC(C)(C)C)NCCc1nnc2n1CCCCC2 95419798 FHPHUXSNKQHLSJ-ZDUSSCGKSA-N 310.511 3.057 0 40 DGAB CC(=O)Nc1ccccc1CNc1ccc(N(C)C(C)=O)cc1 95432957 ISWYWHUKMNMOHF-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB C/C=C/CCNC(=O)N(C)Cc1ccc(Br)o1 95959779 FFZBWWPUUSGLOL-ONEGZZNKSA-N 301.184 3.150 0 40 DGAB O=c1ccn(Cc2ccc(Br)s2)c(Cl)c1 95970954 FNWXBXHECSXVKR-UHFFFAOYSA-N 304.596 3.374 0 40 DGAB Cc1ccc([C@@H]2CCCCN2C(=O)c2ccc3[nH]nnc3n2)cc1 96013700 UIGXAEAMBARBCP-INIZCTEOSA-N 321.384 3.029 0 40 DGAB CO[C@H]1CCN(C2CCOCC2)C[C@@H]1Cc1cccc(C)c1 96110535 FDCXTPQRBSGJGM-HKUYNNGSSA-N 303.446 3.053 0 40 DGAB Cc1cccc(N2CCc3ncnc(-c4ccoc4)c3CC2)n1 96255163 VAXDCQOEBMMWRO-UHFFFAOYSA-N 306.369 3.045 0 40 DGAB O=C(O)C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccc(F)cc1 96402459 NDDNNYUNQDYROK-BVUGVZOXSA-N 319.357 3.233 0 40 DGAB COc1c(F)cc(NC(=O)NCC(C)(C)SC)cc1F 96434200 WLYQBMMBCLKIEG-UHFFFAOYSA-N 304.362 3.237 0 40 DGAB COc1ccc(N[C@H](C)c2cccc(C)c2)cc1OCC(N)=O 96436993 LGHNWNHGFFLIKR-CYBMUJFWSA-N 314.385 3.041 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)C1(c2cccs2)CCCCC1 96468387 VKMNQRGCXRUHTL-MCIONIFRSA-N 305.443 3.386 0 40 DGAB O=c1[nH]c2c(s1)[C@@H](c1cccnc1)[C@@H]1[C@@H](S2)[C@@H]2CC[C@@H]1C2 100186474 RRGJAKVGOZYHOQ-RPLXWKFWSA-N 316.451 3.484 0 40 DGAB O=C1CCC(=O)C1=NNc1c(Cl)cc(Cl)cc1Cl 109708026 GKKPKSCMPGHFEI-UHFFFAOYSA-N 305.548 3.347 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]3C)cc2)C1 195529215 JGYJECHCDULUBN-YYAJDYIMSA-N 314.473 3.437 0 40 DGAB CCn1cc(CN[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 195536041 FKGREKHBHRSAQX-QFBILLFUSA-N 312.461 3.046 0 40 DGAB CCc1nc(CNc2cc(N3CCCCC3)ncn2)cs1 195575218 SDLDYVTURBERAY-UHFFFAOYSA-N 303.435 3.098 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2ccc(C)cn2)cc1 225563529 OMSZKNJSBZYOSB-UHFFFAOYSA-N 301.415 3.064 0 40 DGAB COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)o2)cc1N 226305046 XLLNIMQJHPGKAY-LBPRGKRZSA-N 314.385 3.410 0 40 DGAB COC1CN(c2ccc(NC(=O)c3cccc(Cl)c3)cc2)C1 253395029 BNXFXWXSLHJEJD-UHFFFAOYSA-N 316.788 3.427 0 40 DGAB O=C(c1cccnc1)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257300944 RWIGYDJMVINYAU-JQHSSLGASA-N 308.381 3.011 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2cnc3ccccc3c2)n1 257323275 WJLWAZWQPRJOHD-KRWDZBQOSA-N 320.396 3.254 0 40 DGAB Cc1cnc2n1C[C@@H](c1ccccc1)N(Cc1cscn1)C2 257344950 ZZIPNWUSSUTKSR-INIZCTEOSA-N 310.426 3.405 0 40 DGAB Cc1ccc(C)c(CN2CCC(NC(=O)C3CCC3)CC2)c1 363645665 GDMLSLXLIMPIAT-UHFFFAOYSA-N 300.446 3.184 0 40 DGAB O=C(c1ccc2snnc2c1)N1CC[C@H](c2ccccc2)C1 408993415 CQGRQOZBNNOBGA-AWEZNQCLSA-N 309.394 3.321 0 40 DGAB O=C(N=c1cc[nH]c2ccccc12)[C@@H]1CCOc2ccccc21 545195277 FNHAOFFRIOCQJE-CQSZACIVSA-N 304.349 3.162 0 40 DGAB C[C@@H](C1CC1)n1cc(NC(=O)c2ccc(NC3CC3)nc2)cn1 548637054 SVPMHNPHQCOFLG-NSHDSACASA-N 311.389 3.076 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H](c1cccs1)n1cccn1 575609582 DMTYCTVFWLFFNX-SCOAYWHSSA-N 323.421 3.364 0 40 DGAB Cc1cnc(OC2CCN(C(=O)CC3CCCCC3)CC2)nc1 655258847 NQDMSKDXQDVWLQ-UHFFFAOYSA-N 317.433 3.125 0 40 DGAB c1nc(C2CCC2)cc(N2CCC(Oc3nccs3)CC2)n1 2086884433 SPKYMQFLEVAGJB-UHFFFAOYSA-N 316.430 3.248 0 40 DGAB COc1ccccc1NS(=O)(=O)c1ccc(Cl)s1 95021 VEMOLMPGQKWVSU-UHFFFAOYSA-N 303.792 3.211 0 40 DGAB Cc1ccc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 755397 CMKILVGKZRPCMF-UHFFFAOYSA-N 310.382 3.150 0 40 DGAB COc1cc(Cl)cc(/C=C2/SC(=S)N=C2O)c1O 1082904 NDTYSWPXHYFXRQ-FPYGCLRLSA-N 301.776 3.383 0 40 DGAB O=C(/C=C/c1ccc(Br)o1)NCc1cccs1 3373190 RXXWSCLHITUIJW-GQCTYLIASA-N 312.188 3.433 0 40 DGAB O=C(COc1ccccc1)Nc1nnc(-c2ccccc2)s1 3663629 PIDDVKCVHKWMPK-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104655 HDBFDASDLMVRNX-KLCYAJNXSA-N 322.489 3.112 0 40 DGAB biogenic,in-vitro Cc1cccc(CSC2=NCCN2C(=O)c2ccco2)c1 4120240 PPFRZBAPTOIPKP-UHFFFAOYSA-N 300.383 3.333 0 40 DGAB Cc1cccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc12 4296023 DENIVLKGUCBWTJ-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB COc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)c(OC)c1 4385483 WADZPOOIXLDSMX-CSKARUKUSA-N 308.337 3.111 0 40 DGAB O=C(N1CCCCCC1)N1CCN(c2ccc(Cl)cc2)CC1 4661314 MKOHSCFQOBTKGL-UHFFFAOYSA-N 321.852 3.458 0 40 DGAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2Cl)n1 5677459 AWHTZTKLJVTLJC-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(OC)c1 5703041 DNXYPCLPOPFMBF-JYRVWZFOSA-N 315.350 3.110 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C=O)cc1 6170485 UHIUKLXZGBBUMY-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)Cc1cccc(OC)c1 6375302 YIKXQCHJZVPMET-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CCOc1ncccc1C(=O)Nc1nc2c(s1)CCCC2 6613102 OCMKVZJRVYKHDW-UHFFFAOYSA-N 303.387 3.068 0 40 DGAB CCN1C(=O)N/C(=C/c2ccc(OC(C)C)c(Cl)c2)C1=O 6951405 HVNNOANTWHORME-XYOKQWHBSA-N 308.765 3.040 0 40 DGAB Cc1cc(C)cc(C(=O)O[C@H](C(=O)NC2CC2)c2ccccc2)c1 6987552 ZZMLDLZOTJOHFP-SFHVURJKSA-N 323.392 3.480 0 40 DGAB CCNC(=S)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7391676 FMJVYNJSMSAGMQ-UHFFFAOYSA-N 306.431 3.054 0 40 DGAB Cc1ccc(CN2C(=O)C3(OCCCO3)c3cc(C)ccc32)cc1 7615139 XCLPNHODLAMHSL-UHFFFAOYSA-N 323.392 3.440 0 40 DGAB COc1cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)ccc1O 7886002 FBQCLBZJNMGJHF-QGZVFWFLSA-N 310.353 3.130 0 40 DGAB COc1ccc(NC(=O)c2cc3nc(C)ccc3o2)c(OC)c1 8798698 DVHIGHQDHDQQQQ-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB CC[C@H](OC(=O)c1ccc(C)c(C)c1)C(=O)Nc1cc(C)on1 9365506 XYHBCKSTBPMFNY-AWEZNQCLSA-N 316.357 3.174 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2cc(C)ccc2C)cs1 9457909 PVVHQULBMUARKC-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB COc1ccc(C(=O)Nc2nc(CSC)cs2)c(OC)c1 12230114 IKROPNJVPPVKQY-UHFFFAOYSA-N 324.427 3.276 0 40 DGAB O=C(CCn1cncn1)Nc1ccccc1Oc1ccccc1 12766151 RRLUJOAYVHCXQN-UHFFFAOYSA-N 308.341 3.099 0 40 DGAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccco1 12897855 ZFEXLZQJZCMLGO-UHFFFAOYSA-N 308.341 3.075 0 40 DGAB COc1cccc(C(=O)Nc2cc([C@H](C)O)ccc2OC)c1 13957411 BAGXIPVOKJLZDL-NSHDSACASA-N 301.342 3.009 0 40 DGAB C[C@H]1CC(=O)c2c(OCc3ccc(C(N)=O)cc3)ccc(F)c21 14369402 GUGPMYOKWICQPI-JTQLQIEISA-N 313.328 3.194 0 40 DGAB COc1ccc(-c2noc(CN3CCCCCC3)n2)cc1OC 15255676 LTXBSJUZPVEQDY-UHFFFAOYSA-N 317.389 3.130 0 40 DGAB O=C(CNC(=O)c1ccccc1F)Nc1cccc2ccccc12 15565133 QXARFKYKGFFYSV-UHFFFAOYSA-N 322.339 3.347 0 40 DGAB Cc1ccc(N2CCN(c3ncnc4ccccc34)CC2)cc1 16292951 DIMKXNWQQBOCTK-UHFFFAOYSA-N 304.397 3.265 0 40 DGAB CCN(CC)CCN[C@@H](c1ccccc1)[C@H](O)c1ccccc1 19366521 ZMCDSBQGSSIJLF-VQTJNVASSA-N 312.457 3.393 0 40 DGAB CCOc1ccccc1C(=O)NC[C@@H](c1cccs1)N(C)C 22687752 BSIJEKKWWNHYFB-AWEZNQCLSA-N 318.442 3.180 0 40 DGAB CC(C)=CC(=O)OCC(=O)N1CC[C@H](C)Sc2ccccc21 22747248 OFXAEVJODOSEGD-ZDUSSCGKSA-N 319.426 3.413 0 40 DGAB CCc1nc(COC(=O)c2cc3c(C)nn(C)c3s2)cs1 22887476 AXMCVUMXKCNVMY-UHFFFAOYSA-N 321.427 3.319 0 40 DGAB Cc1cc(C)cc(-n2ncc3c(NC[C@@H]4CCCO4)ncnc32)c1 23153692 XVWFVKNDOLNJSL-HNNXBMFYSA-N 323.400 3.023 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)[C@H]1CC(=O)N(C)c2ccccc21 25617597 FUIBCWKLISYRDU-PBHICJAKSA-N 322.408 3.356 0 40 DGAB COc1ccc([C@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 27794328 OAQALZGNACYMJN-SFHVURJKSA-N 318.461 3.385 0 40 DGAB Cc1ccnc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 28248088 NZRAPRZGEBLHSL-UHFFFAOYSA-N 302.399 3.070 0 40 DGAB Cc1cccc2c1N[C@@H](c1cnn(Cc3ccccc3)c1)NC2=O 28923744 BSPAUPIGFFCWAS-GOSISDBHSA-N 318.380 3.094 0 40 DGAB Cc1nnc(COc2ccccc2C(=O)Nc2ccccc2)o1 31678868 WSRFILAVCFRACT-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB CC(C)CNC(=O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C 31871186 UMJBTSCPJNDLLD-SNVBAGLBSA-N 309.793 3.181 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(N2CCOC2=O)c1 31928877 NZKWECNYSUJBIB-UHFFFAOYSA-N 310.353 3.133 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H](C)n2cc(Br)cn2)c1 32611611 XLDJZZKDUWXSDR-NSHDSACASA-N 322.206 3.462 0 40 DGAB CCOc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1 33418663 MWKVKEYAGKILLP-UHFFFAOYSA-N 302.355 3.468 0 40 DGAB Cc1ccc(C(=O)NCc2nc(-c3ccc(F)cc3)no2)cc1 35579906 AIIQRRCLBORYFM-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB CSc1nnc(SCC(=O)NC2CCC(C)CC2)s1 36821131 TXPNBDDCGIXFQA-UHFFFAOYSA-N 317.505 3.047 0 40 DGAB Cc1noc(C)c1CS[C@@H](C)C(=O)NCc1ccccc1 41294796 PDNAEQSGAADXCV-ZDUSSCGKSA-N 304.415 3.230 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@H]1CC=CCC1 42051765 VWQHTAYRGIGAAS-HNNXBMFYSA-N 301.386 3.163 0 40 DGAB C[C@@]12CCC(=O)C=C1C(=O)C[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 44019231 PJMNEPMSGCRSRC-IFDPXEGKSA-N 300.398 3.266 0 40 DGAB O=C(NCc1ccoc1)c1ccccc1SC[C@@H]1CCCO1 45783703 JFQGVBVRMPSCHI-AWEZNQCLSA-N 317.410 3.481 0 40 DGAB O=C(Nc1cccnc1N1CCCC1)N1CCc2ccccc2C1 48172462 BOCIRUHMGINIGF-UHFFFAOYSA-N 322.412 3.272 0 40 DGAB c1nc(N2CCC(N3CCCCC3)CC2)c2ccsc2n1 52428329 CSBJGLKGBSIDRV-UHFFFAOYSA-N 302.447 3.146 0 40 DGAB CC1CCN(CCCNC(=O)N[C@H]2CCc3ccccc32)CC1 53561825 KZLSVOXVUUOXPU-SFHVURJKSA-N 315.461 3.095 0 40 DGAB CN(C(=O)CN1CCC[C@@H]1Cc1ccccc1)c1ccccc1 58029102 RUXOXXNXNWFYGW-LJQANCHMSA-N 308.425 3.357 0 40 DGAB CCSCc1ccc(C(=O)NC[C@@H]2CCN(C(C)C)C2)cc1 58210374 UDNHRXNTVLARFU-INIZCTEOSA-N 320.502 3.400 0 40 DGAB COc1ccc(CNC[C@@H](O)c2ccc(Cl)cc2)cc1OC 58247658 WVHDUJJUYMUGJJ-OAHLLOKOSA-N 321.804 3.180 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc2ccccc2o1 58402394 KRTPHZUMGWUMJU-HNNXBMFYSA-N 307.353 3.435 0 40 DGAB COc1c(CN[C@@H]2CC(C)(C)Cc3oc(C)cc32)c(C)nn1C 65542069 FEFSIILPRTWQSO-OAHLLOKOSA-N 317.433 3.442 0 40 DGAB COc1ccccc1NC(=O)CCCN(C)C(=O)OC(C)(C)C 67125370 GAWCHHFHNJNTSV-UHFFFAOYSA-N 322.405 3.281 0 40 DGAB Cn1ccnc1CN1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67401136 KFLGVYNYQUJPQQ-KRWDZBQOSA-N 319.836 3.019 0 40 DGAB Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)on1 69441259 RUZMPDHROZZPHG-UHFFFAOYSA-N 321.380 3.263 0 40 DGAB O=C(NC1CCN(c2snc3ccccc23)CC1)C1CCC1 69775809 JMPYSBFKHRASBE-UHFFFAOYSA-N 315.442 3.181 0 40 DGAB O=C(Cc1cccnc1)NCc1ccc(F)cc1C(F)(F)F 69779323 YEMGKYLBXUFFBG-UHFFFAOYSA-N 312.266 3.098 0 40 DGAB Cc1nc(C2(NCc3noc(C(C)(C)C)n3)CCCCC2)no1 71833197 HDCOPECAEUPSMV-UHFFFAOYSA-N 319.409 3.008 0 40 DGAB Cc1nc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)cs1 71834650 HTFPSNXTENXJMN-MRXNPFEDSA-N 316.426 3.037 0 40 DGAB Cc1ccc([C@H]2CCCCCN2C(=O)[C@H](C)n2cccn2)o1 72291601 OOWXPZXDGZPODL-LSDHHAIUSA-N 301.390 3.489 0 40 DGAB Cc1noc(C)c1CC(=O)O[C@@H](C)c1c(F)cccc1N(C)C 72296125 SEXNAVBUBBBFEZ-LBPRGKRZSA-N 320.364 3.343 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2ccc(F)cc2)C1 72365755 LQSYJIWYVBYTHE-AWEZNQCLSA-N 313.376 3.084 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(Br)s2)ns1 72427772 PITGEVSLMJXYSP-UHFFFAOYSA-N 318.221 3.378 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@@H](O)c2cccs2)cc1 77116039 CNGNYRXEALUDGH-CQSZACIVSA-N 320.414 3.392 0 40 DGAB CC[C@](C)(CNC(=O)C1(c2cccc(F)c2)CCC1)[C@H](C)O 89942065 DLIDSYVLTPKHMP-SUMWQHHRSA-N 307.409 3.161 0 40 DGAB Cc1cc2c(cc1C)[C@H](NCC[C@H](C)[S@](C)=O)CCCO2 90514953 TUEHNUMTURZHKW-CMPZQBNXSA-N 309.475 3.264 0 40 DGAB O=C(NCC[C@@H](O)c1ccoc1)c1ccccc1C(F)(F)F 90612978 WGBLYEQPAHUUBQ-CYBMUJFWSA-N 313.275 3.152 0 40 DGAB Cc1cnc(C(=O)O[C@H](c2ccccc2)c2nccs2)cn1 91775587 IYMIDCFPNHWSOG-CQSZACIVSA-N 311.366 3.188 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)C1 95411754 ZKKQOXPXKXVBLO-KBPBESRZSA-N 320.462 3.492 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)N[C@@H]1CCOC1 95434334 KMCXBIIHMLXIOW-MRXNPFEDSA-N 312.369 3.176 0 40 DGAB O=C(O)CCCC(=O)c1cccc(OC(F)(F)C(F)F)c1 95740235 PZVXFDGPXTZRAR-UHFFFAOYSA-N 308.227 3.361 0 40 DGAB Cc1occc1C(=O)N1CCC2(CCCN2CC2CC2)CC1 96159386 SFHUADVTSLEZIQ-UHFFFAOYSA-N 302.418 3.069 0 40 DGAB CCCc1csc(NC(=O)NC[C@H](O)c2ccsc2)n1 96494165 BHAAMMIAHQDWHC-NSHDSACASA-N 311.432 3.012 0 40 DGAB O=C(Nc1ncccc1Cl)c1ccnc(OCC(F)F)c1 97046948 KEKMHSCOKWAXHK-UHFFFAOYSA-N 313.691 3.026 0 40 DGAB Cc1nc2ccccc2c(N2CCC(c3ncn[nH]3)CC2)c1C 97085998 JOYFNLLCRKJCMM-UHFFFAOYSA-N 307.401 3.354 0 40 DGAB COc1cccc([C@@H](C)OC(=O)c2ccnc(-n3ccnc3)c2)c1 97098235 FNAPDZQBHHVSHQ-CYBMUJFWSA-N 323.352 3.194 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)Cn1ccnc1C(C)C 97236135 BUCYYZKWFKREAE-CQSZACIVSA-N 315.417 3.235 0 40 DGAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@@H](c2ccccc2)C1 105704108 RWIAXTZUBKASRM-DSLXNQLJSA-N 312.457 3.328 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@H](C)c1nc(C2CC2)no1 106929641 VECPKKDLHKVMFX-TZMCWYRMSA-N 315.421 3.195 0 40 DGAB CC(C)(O)CSCCN[C@@H]1CCCOc2cc(F)ccc21 195557654 SBLNFJXRPHZCFF-CQSZACIVSA-N 313.438 3.133 0 40 DGAB O=C(NCc1cccs1)NC[C@@H]1CCCN1c1ccccc1 207993102 QGORVXMUNABHHL-HNNXBMFYSA-N 315.442 3.216 0 40 DGAB O=C(Nc1cccc(Br)c1)c1cnc(C2CC2)nc1 222594798 AXLNHBWZJQJWDB-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 222982697 DOGHLZRMBUDGLW-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCCC(=O)N1CCS/C1=C/c1nc2ccccc2n1C 225237830 KDHGRHNFMKQFKM-LFIBNONCSA-N 301.415 3.247 0 40 DGAB COc1ccc(Oc2ncccc2NCc2cnn(C)c2)cc1 225479693 UQEYFGJLAKAVAD-UHFFFAOYSA-N 310.357 3.228 0 40 DGAB CO[C@]1(C)CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 230263748 JIZTWBOEWYAJIF-CQSZACIVSA-N 317.216 3.217 0 40 DGAB CN(C(=O)[C@H]1CCOC1)c1ccc(C(F)(F)F)cc1Cl 252500115 SNFNZCKWDYJOQJ-QMMMGPOBSA-N 307.699 3.358 0 40 DGAB Cc1cc2cc(C(=O)N3CCC[C@@H]3c3ccnc(O)n3)ccc2o1 257237771 HICDUPHVLSZCKN-OAHLLOKOSA-N 323.352 3.214 0 40 DGAB Cc1c[nH]c([C@H]2CCN(CCCOc3ccccc3F)C2)n1 257307669 SZTHSSLLQWEVSI-AWEZNQCLSA-N 303.381 3.116 0 40 DGAB O=C1N/C(=C\c2cccs2)C(=O)N1Cc1ccc(Cl)cc1 408930772 BVDUHFGJNRGIMD-JYRVWZFOSA-N 318.785 3.494 0 40 DGAB O=C(c1ccc(I)cc1F)C(F)(F)F 604221672 RDCKFMPBUVWYSQ-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB Cc1oncc1CN1CCC(COc2ccncc2Cl)CC1 1848572936 WVLCHIGOGUVRPJ-UHFFFAOYSA-N 321.808 3.322 0 40 DGAB O=Cc1nc(Br)c(-c2cc(F)c(F)c(F)c2)[nH]1 1857794721 IFXSTRZJAIVRDW-UHFFFAOYSA-N 305.053 3.069 0 40 DGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@@H](CF)C1 1888857102 MEIXQSLMOBOZKT-LBPRGKRZSA-N 319.355 3.048 0 40 DGAB CN1C(=O)c2ccccc2[C@@H](C(=O)O)[C@@H]1c1cccc(Cl)c1 211787 GUGDXZPKLKZBOY-CABCVRRESA-N 315.756 3.335 0 40 DGAB COc1cc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 216909 JVGXICUTXHMMNN-ZGXYDKCCSA-N 318.413 3.299 0 40 DGAB CN(C)C(=O)[C@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 347068 MVOPGXWXHAQHAY-MOPGFXCFSA-N 309.413 3.047 0 40 DGAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 532336 XGPJHWMCXSDYAT-JKSUJKDBSA-N 305.385 3.315 0 40 DGAB CCOC(=O)c1ccccc1C(=O)c1ccc(CN2CCC2)cc1 2514609 BWZKVUIHJOLWEQ-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB CCOC(=O)CSCC(=O)Nc1c(Cl)cccc1Cl 3238040 OEORKMYEMIRGHV-UHFFFAOYSA-N 322.213 3.228 0 40 DGAB Cc1cc(C)c(NC(=O)CSc2ncccn2)c(Cl)c1 3344126 SPTVQVVMXBNLQK-UHFFFAOYSA-N 307.806 3.478 0 40 DGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 3359820 XZIADYSKMGXENK-UHFFFAOYSA-N 315.803 3.057 0 40 DGAB Cc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 3442947 NMOLWZNTOKTRLF-LLVKDONJSA-N 318.760 3.227 0 40 DGAB Cc1cc2c(cc1F)[C@@](O)(c1ccc(C(C)C)cc1O)C(=O)N2 4110371 JEFNTPJFIXIJRV-SFHVURJKSA-N 315.344 3.151 0 40 DGAB CCC(C)(C)n1nnnc1[C@H](c1ccc(C)cc1)N1CCCC1 4230563 UXPRYNIABLNBBJ-INIZCTEOSA-N 313.449 3.312 0 40 DGAB Clc1ccc(CCNc2ncnc3[nH]ncc23)c(Cl)c1 4317656 MBKCKWXRFMDBSV-UHFFFAOYSA-N 308.172 3.314 0 40 DGAB CNC(=O)c1ccc(-n2nc(C(F)(F)F)c3c2CCCC3)cc1 4383911 GDBPSDQDMUOPCL-UHFFFAOYSA-N 323.318 3.130 0 40 DGAB Nc1c(Cl)nc(C(F)(F)F)nc1NCc1ccccc1 4744186 SFTLVRYDSRFZNC-UHFFFAOYSA-N 302.687 3.343 0 40 DGAB O=C(/C=C/c1cccc(F)c1)Oc1ccc(-c2nnco2)cc1 6261603 ZPIVKZAXIYAHKO-RUDMXATFSA-N 310.284 3.495 0 40 DGAB CCN(CC)CCNC(=O)Nc1cccc(C(F)(F)F)c1 6462763 IDBJDPDUVZTKRI-UHFFFAOYSA-N 303.328 3.169 0 40 DGAB CCn1nnc2cc(C(=O)N[C@@H]3CCCc4ccccc43)ccc21 6650546 GUKWZDOROSBTIN-MRXNPFEDSA-N 320.396 3.259 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccc2c(c1)CCC(=O)N2 9691005 NVRCQGHEHBHSFU-UHFFFAOYSA-N 310.353 3.141 0 40 DGAB C[C@@H](OC(=O)c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 11077529 KPUIBVKPMGMTLW-XUXNNNHQSA-N 313.397 3.412 0 40 DGAB Cc1ncc(C(=O)N[C@H](c2ccccc2)c2cccnc2)c(C)n1 12148290 FCKYZYRDRYWDPT-GOSISDBHSA-N 318.380 3.008 0 40 DGAB in-vitro O=C(CCCc1cccs1)Nc1ccc(-n2cccn2)nc1 12545611 JYRNEMIPSSGIRY-UHFFFAOYSA-N 312.398 3.290 0 40 DGAB O=C(NCCc1ccco1)c1ccc([C@@H](O)c2ccccc2)cc1 12795421 PAQCBGCLUJLTOL-IBGZPJMESA-N 321.376 3.334 0 40 DGAB COc1ccc(C(=O)NCCc2ccc(Cl)cc2)c(O)c1 12928781 KAVNAFJBBCXNKM-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB Cc1ccc(CS(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 13676033 SMQYFJNRXDFPHJ-CQSZACIVSA-N 301.411 3.276 0 40 DGAB Cn1cccc1[C@H]1CCCN1CC(=O)Nc1c(F)cccc1F 14159250 ABXZJLSGLPVQRM-OAHLLOKOSA-N 319.355 3.079 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)Nc1ccc2c(c1)OCO2 14162403 XEPVMOXDHVJWNN-UHFFFAOYSA-N 309.365 3.475 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nn1cnc2ccccc21 14196437 LOYAUCAVIPQKFO-UHFFFAOYSA-N 301.733 3.082 0 40 DGAB CCOc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)cc1 16482774 IPKAXIJLDGHPBZ-JOCHJYFZSA-N 317.410 3.216 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCCC1 20486173 OFFCDIRKODXGDY-SFHVURJKSA-N 318.461 3.145 0 40 DGAB NC(=S)NNc1nc(-c2cccc3ccccc23)cs1 22124800 XZYJRPKCQOPOQC-UHFFFAOYSA-N 300.412 3.123 0 40 DGAB Oc1ccccc1N1CCN(c2ccc(C(F)(F)F)cn2)CC1 23701556 KDSLGMBAWLXDPO-UHFFFAOYSA-N 323.318 3.133 0 40 DGAB CN1c2ccccc2C(=O)N[C@H]1c1csc(Br)c1 28922960 MKXOGTGOTHKMIV-GFCCVEGCSA-N 323.215 3.389 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1 32854925 ACGWKBHCBRQHDL-UHFFFAOYSA-N 321.380 3.397 0 40 DGAB COc1cccc(CC(=O)NCCCn2ccc3ccccc32)c1 33028415 JQZVQSKDEDAMGM-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 34863328 TXEAUWMNZALGOM-RRFJBIMHSA-N 304.434 3.248 0 40 DGAB c1csc(-c2csc(CNCCCN3CCOCC3)c2)c1 35255938 CBKDVYXZEBDRHB-UHFFFAOYSA-N 322.499 3.289 0 40 DGAB COCc1cccc(CNC(=O)[C@@]2(C)CC2(Cl)Cl)c1 36395815 RIRVQZBBNHGFAU-CYBMUJFWSA-N 302.201 3.033 0 40 DGAB Cc1ccc(CN(CCN(C)C)C(=O)Nc2ccccc2F)o1 40555264 LRUAWTVEYMITPV-UHFFFAOYSA-N 319.380 3.323 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@H]1c1cc(C)no1 44972759 NSXIJBZHMSCBQQ-ZDUSSCGKSA-N 316.361 3.146 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 44979352 OINVSWXNYBLARL-QGZVFWFLSA-N 322.368 3.386 0 40 DGAB Cn1ccnc1SC[C@H](O)COc1cccc2ccccc12 58171610 QELLHIOXCVSJSY-CQSZACIVSA-N 314.410 3.105 0 40 DGAB Cc1ccc2nc(C)c(C(=O)NO[C@H]3CCCCO3)cc2c1 58329550 CHWLKBAMNZDFHB-INIZCTEOSA-N 300.358 3.040 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@H](C)C[C@@H](C)C1 58421019 NJHKQSQLYODQOR-CHWSQXEVSA-N 317.433 3.207 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)NCc2csc(C)n2)cc1 65440678 BPQXVETVCQKAFT-NSHDSACASA-N 319.430 3.411 0 40 DGAB O=C(Nc1cccc(-n2cccc2)c1)NC1CCN(C2CC2)CC1 65490741 ZQEGZKUZXAYZGR-UHFFFAOYSA-N 324.428 3.226 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)Cc1cccc(F)c1 65740081 AIZVWXFKYYVQFK-UHFFFAOYSA-N 323.371 3.179 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)NC(C)(C)C 67784531 XLZPUOXMKOINSK-UHFFFAOYSA-N 318.200 3.490 0 40 DGAB Cc1nc(C(=O)N[C@H](c2ccccc2)C(F)(F)F)cs1 69355048 PQAIWLOGABIQPF-LLVKDONJSA-N 300.305 3.485 0 40 DGAB Cn1c(SCc2ccon2)nnc1-c1ccc(Cl)cc1 69617906 FQKOGTIJUZSKRO-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB O=C(NCc1ccccn1)N(Cc1ccc(F)cc1F)C1CC1 69869588 URHKJPPIKINQCX-UHFFFAOYSA-N 317.339 3.234 0 40 DGAB O=C(c1cc(F)c(F)cc1Cl)N1CCO[C@H]2CCC[C@@H]21 71830856 XXSROAARIVQEII-STQMWFEESA-N 301.720 3.012 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccc(Cl)s1 71859129 FYKQAEZLMNHALL-AYLIAGHASA-N 319.879 3.098 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 72227981 HRHQAAAKUDMQAK-KGLIPLIRSA-N 307.180 3.409 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)cc1 72228032 BRYXSVAPUHOEDQ-HZPDHXFCSA-N 300.789 3.318 0 40 DGAB CCCCO[C@@H]1C[C@@H](N(C)C(=O)Cc2cccnc2)C1(C)C 75091902 CXQSYKGYZMHRKI-HZPDHXFCSA-N 304.434 3.066 0 40 DGAB Cc1cnc([C@H](NC(=O)[C@@H](C)c2c(C)noc2C)C2CC2)s1 75147752 OFXODUAZERJZRT-LKFCYVNXSA-N 319.430 3.427 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc21)Nc1ccccc1Cl 75155787 GGRYBCWOKSVUQR-KRWDZBQOSA-N 316.788 3.296 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2cccc(N3CCCC3=O)c2)c1 75910251 VVOQQZMDLNPXDQ-UHFFFAOYSA-N 322.408 3.360 0 40 DGAB Cc1nc(-c2ccccc2NC(=O)N2CCC(C)CC2)no1 77678747 VZBPAKHPYZMARG-UHFFFAOYSA-N 300.362 3.309 0 40 DGAB COc1cc([C@@H](C)Nc2ccc(Cl)cn2)ccc1OCCO 78653482 WLFWTWCYPOFJBB-LLVKDONJSA-N 322.792 3.288 0 40 DGAB C[C@@H]1C[C@@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1 79030345 VIEIVFIPFDINAZ-ZWNOBZJWSA-N 316.382 3.116 0 40 DGAB Cc1ncsc1CCS(=O)(=O)Cc1cccc(Cl)c1 84066514 SXCAASRNJGOSBA-UHFFFAOYSA-N 315.847 3.262 0 40 DGAB O=C(c1cccc2c1OCCO2)N1CC[C@@H](c2ccccc2)C1 84525531 NWVVSFPQGNNBSK-OAHLLOKOSA-N 309.365 3.088 0 40 DGAB CCc1noc(CC)c1CC(=O)Nc1ccccc1-c1ncc[nH]1 87426219 XZQJOKNAOMHDNY-UHFFFAOYSA-N 324.384 3.371 0 40 DGAB O=C(c1ccccc1OC[C@@H]1CCCO1)N1C[C@H]2CCC[C@H]2C1 89809588 ZDMSQYFJVARUOZ-XHSDSOJGSA-N 315.413 3.117 0 40 DGAB Cc1ccc(CN[C@@H]2CCCN(c3ccccc3F)C2=O)o1 90227895 AZJDZMBFNCXWKV-OAHLLOKOSA-N 302.349 3.012 0 40 DGAB CCn1cc(NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)ccc1=O 95369203 XDSXPSYRGKCHAO-ZELMDOOWSA-N 312.369 3.237 0 40 DGAB O=C(N[C@H](CCCO)c1ccccc1)N1CCC[C@H]1C1CCC1 95400342 NOMUFKLFEIOYKF-MSOLQXFVSA-N 316.445 3.474 0 40 DGAB CC[C@H](C)NC(=O)CCN[C@@H](C)c1cc(F)c(F)c(F)c1 95421001 YZXIISCNJBDBFX-UWVGGRQHSA-N 302.340 3.059 0 40 DGAB Cc1cc(N(Cc2ccccc2)C[C@@H](O)c2ccco2)ncn1 95430796 RHHWUXWPDVPDSU-MRXNPFEDSA-N 309.369 3.118 0 40 DGAB CC(C)n1cc(S(=O)(=O)N2CC[C@@H](C)c3ccccc32)cn1 95961241 KNUUBXOEVOFWPK-CYBMUJFWSA-N 319.430 3.167 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2cccnc2)cc1 95969116 GYBZOOGUVCMILI-GFCCVEGCSA-N 305.403 3.016 0 40 DGAB Cc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)s1 96048556 VVCOFBDMQNUGCT-RDJZCZTQSA-N 317.458 3.249 0 40 DGAB O=C1N(CC2CC2)CCC12CCN(Cc1ccc(F)cc1)CC2 96071156 NKPQRQZYHPANEM-UHFFFAOYSA-N 316.420 3.050 0 40 DGAB Cc1ccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)nc1 96192974 IBCBXWWKSOJBDR-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccccn2)cc1C 96286869 KOLYPEYHVCMJBR-CQSZACIVSA-N 304.415 3.046 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)c1cccc(NC(=O)CC)c1 96450609 VYMPMWHDHFZIIE-HUUCEWRRSA-N 320.458 3.439 0 40 DGAB C[C@H](CN[C@H](C)c1cccc(Cl)c1Cl)CS(C)(=O)=O 96491896 LSIARAVUBVWMJE-NXEZZACHSA-N 324.273 3.325 0 40 DGAB CCS(=O)(=O)[C@@H](C)[C@@H](N)c1ccc(-c2ccccc2)cc1 96524821 ONHRJNJEAOITIJ-SUMWQHHRSA-N 303.427 3.177 0 40 DGAB C[C@H](CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1)c1ccsc1 97378542 JUKVQXUEYZITKN-UGFHNGPFSA-N 308.447 3.108 0 40 DGAB Cc1cccc(NC(=O)N2CCCN(Cc3ccccc3)CC2)n1 97378710 PCZNDASQTMWWSN-UHFFFAOYSA-N 324.428 3.130 0 40 DGAB Cc1nccc([C@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)n1 97953898 UFQJPTOBGCWOTG-USXIJHARSA-N 315.442 3.199 0 40 DGAB Clc1ccc([C@@H]2C=C(c3cccs3)Nc3nnnn32)cc1 100760012 GPYOAEHWJKZUEA-LBPRGKRZSA-N 315.789 3.444 0 40 DGAB COc1ncccc1CNC(=O)N[C@@H]1C[C@H]2CC[C@@]1(C)C2(C)C 102150209 XWBTWTRUFGCJIJ-HBUWYVDXSA-N 317.433 3.104 0 40 DGAB CN1CCC(CCNC(=O)c2ccc(Cl)cc2Cl)CC1 156350931 ANKCMUWOBRZXTG-UHFFFAOYSA-N 315.244 3.455 0 40 DGAB COc1ccnc(CN2CCC[C@@H]2c2cccc(C)n2)c1OC 190723810 JXKJTHLGBMXIOF-MRXNPFEDSA-N 313.401 3.139 0 40 DGAB COc1ccc([C@@H](CC(=O)O)CC(=O)N2CCCCCC2)cc1 223101658 YYLRXLPEFLSABM-OAHLLOKOSA-N 319.401 3.046 0 40 DGAB CCSCc1cccc(NC(=O)N2CC[C@H](C)[C@H]2CO)c1 225507569 QOEZBKRXWUVSAA-SWLSCSKDSA-N 308.447 3.174 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)cc1 226322637 VZVINNVZJCSPHE-IZZDOVSWSA-N 311.337 3.435 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H](C)n1cc(-c2ccc(OC)cc2)cn1 227154286 DMSYEDOUPIGUCV-CHWSQXEVSA-N 301.390 3.034 0 40 DGAB CCN(Cc1ccncc1)C(=O)c1cn2cc(Cl)ccc2n1 257216120 CTEHEAPAGCKJSK-UHFFFAOYSA-N 314.776 3.045 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N1CCCC[C@@H]1c1ccn[nH]1 257238925 HNDMLANXHMPMSG-OAHLLOKOSA-N 321.783 3.499 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC(Cc3ccncc3)CC2)s1 257296646 RDSUBMCINSTYQQ-UHFFFAOYSA-N 315.442 3.250 0 40 DGAB O=C(CSC1CCCC1)N1CCC[C@H](Oc2ccncc2)C1 575608351 XYWQLUBDWPUKHO-HNNXBMFYSA-N 320.458 3.127 0 40 DGAB Cc1ccc(C(C)(C)CC(=O)N2CCO[C@H](C(F)F)C2)cc1 585079981 FOEZOJKHDXPHJE-AWEZNQCLSA-N 311.372 3.155 0 40 DGAB O=C(N[C@@H]1CCCOC1)C1(c2cccc(Cl)c2F)CCC1 585084084 ZBAHGHXAUBUSDW-LLVKDONJSA-N 311.784 3.196 0 40 DGAB Cc1cc(N2CCC[C@@H](COc3ncccc3Cl)C2)ncn1 2298187282 RWWQJJBQMDSBKZ-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB CCCOc1ccccc1Nc1nnc(-c2ccccc2)c(=O)[nH]1 11905828 GCGXODVYFJSAIY-UHFFFAOYSA-N 322.368 3.364 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(CC)cc2)cc1 256396 JBAJQMXQWUPNHY-UHFFFAOYSA-N 305.399 3.449 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)cc1 2692767 HTWJIRUERDIXMS-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1ccc(O[C@@H](C)CNC(=O)Cc2c(C)noc2Cl)cc1 76066505 FRRIUBMZUGUZEN-NSHDSACASA-N 322.792 3.071 0 40 DGAB CC(C)OCCCNC(=O)CSc1ccc(Cl)cc1 6345053 XIEKGCFXJMCXMI-UHFFFAOYSA-N 301.839 3.363 0 40 DGAB CCOc1cc(C=O)ccc1OCC(=O)Nc1cccc(F)c1 6604767 GAFOMKOMCNIWST-UHFFFAOYSA-N 317.316 3.054 0 40 DGAB Cc1ccc(N2C(=O)c3n[nH]c(C)c3[C@H]2c2cccc(O)c2)cc1 6788424 WCIMVUDLCWLDHZ-GOSISDBHSA-N 319.364 3.482 0 40 DGAB C[C@@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 46934228 VKBKOYSZKUGPQJ-PBHICJAKSA-N 302.418 3.036 0 40 DGAB COCCNC(=O)/C(=C/c1ccc(F)cc1)c1cccs1 25464165 UUIUSGTXWWLVBU-SDNWHVSQSA-N 305.374 3.190 0 40 DGAB CCN(c1ccccc1C)S(=O)(=O)c1ccc(OC)c(F)c1 55949125 BBLOKMDPWHJCCU-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB Cc1cccc(NC(=O)C2(c3cccc(F)c3)CCOCC2)n1 57215859 UXKHYXGIWKZYBU-UHFFFAOYSA-N 314.360 3.216 0 40 DGAB FC(F)Oc1ccc(Cl)cc1CN[C@@H]1CCN(C2CC2)C1 44686216 IFZTZYYSALXWKJ-GFCCVEGCSA-N 316.779 3.268 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccccc1 27582220 KHZBWPAWLTXRRG-OAHLLOKOSA-N 300.427 3.315 0 40 DGAB CCCNC(=O)c1cccc(CNCc2csc(CC)n2)c1 58165820 ZFCHFFMOMKWOQX-UHFFFAOYSA-N 317.458 3.135 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2sc(C)nc2C)c1 44869910 NPALNBAZFWGEDK-SECBINFHSA-N 320.414 3.268 0 40 DGAB CCCN(CC(F)(F)F)C(=O)c1cc(-c2ccco2)[nH]n1 58271984 KXZBIDRNRQYPSI-UHFFFAOYSA-N 301.268 3.084 0 40 DGAB O=C(NCc1ccoc1)Nc1nnc(Cc2ccccc2)s1 44948794 SVVBVJDKBZXFFU-UHFFFAOYSA-N 314.370 3.044 0 40 DGAB C[C@H](NC(=O)CN1CCc2sccc2C1)c1ccc(F)cc1 10341516 FJFOVHOBGFKKPD-LBPRGKRZSA-N 318.417 3.123 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2cc(Cl)cc(Cl)c2)n1 58328089 YCNPJAPCMKOWGL-LURJTMIESA-N 300.145 3.176 0 40 DGAB CCN1CCC[C@H]1CNc1ncnc2sc3c(c12)CCC3 3334735 QBKDIVWQXSVULU-NSHDSACASA-N 302.447 3.076 0 40 DGAB Fc1cc(F)cc(NCc2cc(CN3CCOCC3)cs2)c1 45796095 OLJGDNHHRVWYOS-UHFFFAOYSA-N 324.396 3.471 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccnn2C2CCCC2)C1 12760681 SVTMYFSTVMOJMI-HUUCEWRRSA-N 318.465 3.305 0 40 DGAB Cc1cccc(OCCN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)c1 12783577 WVGQWRZRUVLQHJ-FUHWJXTLSA-N 318.461 3.001 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1 12774141 RZTLEZZBXZFDAF-OAHLLOKOSA-N 312.344 3.453 0 40 DGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cc(F)cc(F)c1 8774379 HKJXHDDQOVFGPY-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)cc1 12855438 WJLKQSKIFMISFG-UHFFFAOYSA-N 317.772 3.399 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1Cl 63021280 KSOMJBHILWVEMC-LBPRGKRZSA-N 309.793 3.365 0 40 DGAB Cc1nc(Nc2ccccc2)nc2c1nnn2-c1ccccc1 13532913 YTZNJVOYTZKRQN-UHFFFAOYSA-N 302.341 3.263 0 40 DGAB Cc1ccccc1OCCn1cnc2cc3c(cc21)OCCO3 64794835 YLMNQAPKWNPCNA-UHFFFAOYSA-N 310.353 3.195 0 40 DGAB C[C@H](OC(=O)c1ccc(Cl)s1)C(=O)NC1CCCC1 4242665 RPSUMMXXKKOLCL-QMMMGPOBSA-N 301.795 3.006 0 40 DGAB CCCCOC(=O)c1ccc(Nc2ncnc3n[nH]cc23)cc1 4317661 SHOVCPNCFKTRDV-UHFFFAOYSA-N 311.345 3.053 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H]2c2cccs2)n1 71828046 KCXMUROFPTZZOK-KBPBESRZSA-N 303.431 3.486 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1cnc2ccccc2n1 71859639 DLNCIWHTEYFCJC-INIZCTEOSA-N 307.401 3.322 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@H]2CC=CCC2)n1 71865473 SBITXTYZIBNJQI-IRXDYDNUSA-N 301.434 3.237 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(Cl)cn2)o1 14139225 YQQVLXHSWXTEMC-LLVKDONJSA-N 307.781 3.095 0 40 DGAB Cc1nc2ncnn2c(N2CCCCCC2)c1Cc1ccccc1 4999412 MZMRJCSXQYRKAA-UHFFFAOYSA-N 321.428 3.404 0 40 DGAB Cc1cccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)c1 67197801 PIFJAYBDUKIJKM-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB Cc1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)oc1C 71824659 YESZSPQRZPHPPV-OAHLLOKOSA-N 314.385 3.400 0 40 DGAB Cc1cc(CNC(=O)N2CCc3c([nH]c4ccccc34)[C@@H]2C)no1 67610183 QCCVRIYVPSYONF-LBPRGKRZSA-N 324.384 3.293 0 40 DGAB Cc1ccc(-c2nnn(Cc3ncc(-c4ccccc4)o3)n2)cc1 7394195 RLGOHCGQICDYAK-UHFFFAOYSA-N 317.352 3.352 0 40 DGAB COc1ccc(C)cc1NCC(=O)Nc1cc(C)ccc1OC 7972925 VVUILQIJODZONK-UHFFFAOYSA-N 314.385 3.371 0 40 DGAB Cn1ccc2c(C(=O)N3CCCN(C(C)(C)C)CC3)cccc21 69595556 ZWDPJKLJEFNIKM-UHFFFAOYSA-N 313.445 3.125 0 40 DGAB Cc1cc(Sc2ccc(Br)cc2)n2ncnc2n1 69573021 MUEBEINECSEKEM-UHFFFAOYSA-N 321.203 3.346 0 40 DGAB COc1cccc2cc(CNC(=O)N(C)Cc3ccco3)oc12 69619210 KZWTWEIBDOXXBB-UHFFFAOYSA-N 314.341 3.376 0 40 DGAB Cc1csc([C@H](C)NC(=O)Nc2cnc(C(C)(C)C)nc2)n1 69658976 TXETYHNUHPSZCV-JTQLQIEISA-N 319.434 3.422 0 40 DGAB Cc1cnccc1NC(=O)c1cnn(-c2ccccc2F)c1C 69769362 MVYNEJMITNQMMP-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB C[C@@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1 26180310 KSCVMVFTCVHBKC-CYBMUJFWSA-N 303.450 3.356 0 40 DGAB COc1cccc2cc(/C=C3\C(=O)NC(=O)c4ccccc43)oc12 96925148 KHECELUAYPTSEK-GDNBJRDFSA-N 319.316 3.252 0 40 DGAB CCn1cc(C(=O)Nc2ccc3sc(C(=O)O)cc3c2)cn1 97018472 HTSQDVKMRBWDJE-UHFFFAOYSA-N 315.354 3.068 0 40 DGAB Cc1ccoc1CNc1ccc(NS(C)(=O)=O)c(Cl)c1 95428648 BZQCGRJQPCIBKB-UHFFFAOYSA-N 314.794 3.225 0 40 DGAB C[C@H](NC(=O)C[C@@H](C)C1CC1)c1ccc2c(c1)CCC(=O)N2 95955481 IOLODQPZQAGNIT-NEPJUHHUSA-N 300.402 3.185 0 40 DGAB CCO[C@H]1C[C@@H](O)C12CCN(c1ccnc3ccsc13)CC2 89986587 TVSLUXSDYLPJJN-CABCVRRESA-N 318.442 3.053 0 40 DGAB CN(C)C(=O)c1cc([C@H]2CC[C@H](CN)CC2)nc2ccccc12 100652502 SGKMSNVXSHCVBX-OKILXGFUSA-N 311.429 3.169 0 40 DGAB Cc1cc(C(=O)N2C[C@H](C)c3ccccc32)ccc1-n1cncn1 173108673 PAOLCFBYELSGLB-AWEZNQCLSA-N 318.380 3.340 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)c2ccc3n[nH]cc3c2)c1 522507591 YEQCFICVRXJIAF-NSHDSACASA-N 322.368 3.012 0 40 DGAB CCc1nnc([C@@H](C)N(C)Cc2cnn(-c3ccccc3)c2)o1 72558120 SPVFSSMKRHNPPP-CYBMUJFWSA-N 311.389 3.011 0 40 DGAB Sc1ncnc2c(Br)cc(Br)cc12 36138887 YLYSYCCLVLFBKH-UHFFFAOYSA-N 320.009 3.444 0 40 DGAB CN(C)c1ccc(C(=O)N2CC[C@@H](c3ccsc3)C2)cc1 675008299 PKRHMGGCKMZBSL-CQSZACIVSA-N 300.427 3.444 0 40 DGAB Cc1cc(C)nc(OC[C@H]2CCCCN2C(=O)OC(C)(C)C)n1 72203024 QMTYQPHVOVPRJX-CQSZACIVSA-N 321.421 3.262 0 40 DGAB COc1ccc(-c2nnc([C@H]3CCN(CC(C)C)C3)o2)cc1 49170121 RBFHNYUKPILSKA-AWEZNQCLSA-N 301.390 3.191 0 40 DGAB biogenic,in-vitro c1ccc2[nH]c(SCc3n[nH]c(-c4ccncc4)n3)nc2c1 40174583 XNQPFFNNFIVDBP-UHFFFAOYSA-N 308.370 3.035 0 40 DGAB CCN1C[C@@H](C(=O)Nc2ccccc2Oc2ccccc2)CC1=O 46124398 LJQHUXUCCJKSRE-AWEZNQCLSA-N 324.380 3.286 0 40 DGAB O=C(NCc1ccc(C2CC2)nc1)c1ccc(Br)o1 606440513 ABDNVDVECGZCBD-UHFFFAOYSA-N 321.174 3.245 0 40 DGAB COCC1(NC(=O)Nc2ccc(OC(C)C)c(OC)c2)CCC1 225478608 SSLSMGVSVJBESZ-UHFFFAOYSA-N 322.405 3.173 0 40 DGAB CC(C)(C)CNC(=O)CCc1nc(-c2ccccc2Cl)no1 225812246 ZFGXVIITUOYBSP-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB COc1cccc([C@@H](C)CC(=O)N(C)c2cccnc2OC)c1 84549610 BNNYQMALHKMVOF-ZDUSSCGKSA-N 314.385 3.255 0 40 DGAB COc1cccc2ccn(CCC(=O)NC[C@@H]3C[C@@H]4C=C[C@H]3C4)c12 49543627 AVUFHUJGRKQEIP-PVAVHDDUSA-N 324.424 3.368 0 40 DGAB Cc1ccc(-c2csc3nc(CCC(=O)O)nn23)c(C)c1 95095791 KZNPTRUXUQPOMS-UHFFFAOYSA-N 301.371 3.092 0 40 DGAB CCc1ccc2occ(C(=O)NCc3cn(C(C)C)nn3)c2c1 577544853 IPWKXUIWEGHTSW-UHFFFAOYSA-N 312.373 3.098 0 40 DGAB CC(C)[C@H]1CN(C(=O)COCC(F)(F)F)c2ccccc2N1 96449925 KJTBXKIUJIIXCY-GFCCVEGCSA-N 316.323 3.049 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)Cc2cccc(O)c2)o1 96449916 PAYAGLRCKGVDFK-OAHLLOKOSA-N 317.410 3.153 0 40 DGAB CC[C@@H]1CN(CC2Cc3ccccc3C2)CCN1CC(F)F 585085008 MXWRDRUPKJBDMC-QGZVFWFLSA-N 308.416 3.063 0 40 DGAB CC(C)c1cc(C(=O)NCCn2cncc2-c2ccccc2)no1 585135533 OYZLPBPESGGAFO-UHFFFAOYSA-N 324.384 3.092 0 40 DGAB C[C@H]1C[C@@H](C)C[C@H](NC(=O)c2cc(C(F)(F)F)cnc2O)C1 585121948 HBGXPNQJRHCHGY-JZYVYDRUSA-N 316.323 3.361 0 40 DGAB CO[C@]1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCSC1 96097611 HASQYIINLPVLEV-ZDUSSCGKSA-N 320.241 3.245 0 40 DGAB Cc1ccc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)s1 585103580 YGRBYUYPXDFGCR-INIZCTEOSA-N 321.486 3.464 0 40 DGAB Cc1noc([C@@H](C)[S@](=O)Cc2c(F)cccc2Cl)n1 71888569 OXZLUXWQDDLDFS-XJZHNMMOSA-N 302.758 3.180 0 40 DGAB O=C(CNc1cccc(CO)c1)Nc1ccc(F)cc1Cl 72267321 RWLVCPJDQFKBJG-UHFFFAOYSA-N 308.740 3.022 0 40 DGAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 72293467 BQLILBXPJAZUBN-IRXDYDNUSA-N 309.413 3.222 0 40 DGAB Cn1ncc2c(NCc3nc(-c4ccccc4)cs3)ncnc21 52008388 KACGPPPDPAUQDW-UHFFFAOYSA-N 322.397 3.099 0 40 DGAB CN1CCC([C@@H]2CCN(C(=O)Cc3cccc(Cl)c3)C2)CC1 89375186 FLRRMJDZSCZVAY-MRXNPFEDSA-N 320.864 3.073 0 40 DGAB CC/C=C(\C)C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 96298484 RVCZYACSMXKJQP-RRQFRJBNSA-N 305.393 3.454 0 40 DGAB CO[C@H](CCSC)CNC(=O)Nc1ccccc1Cl 1775968291 XNCGCOFYQQYFGN-SNVBAGLBSA-N 302.827 3.230 0 40 DGAB COc1ccc(CC(=O)Nc2cc(OC)c(OC)cc2C)cc1 5616828 OTTPMJNKKDXEIL-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB C=Cn1ncc(CN(C)Cc2cc(O)nc3ccccc23)c1C 12188434 LJZSZUQWKZSHGO-UHFFFAOYSA-N 308.385 3.178 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCc2ccccc21 14125794 CVODLMJWSKMWOL-UHFFFAOYSA-N 319.364 3.084 0 40 DGAB Cc1ccc(Cn2nc(C)c(C(=O)NC(C)C)c2Cl)cc1 17300239 AXXZSTHLTUHZJA-UHFFFAOYSA-N 305.809 3.340 0 40 DGAB Cc1c(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)C)cnn1CC(C)C 163975731 FFDVCKRPJPMETC-DOTOQJQBSA-N 321.465 3.029 0 40 DGAB COc1ccccc1OCC(=O)N[C@@H](C)c1ccc(F)cc1 3383407 MSAYPWHRMNNTBT-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB CCN1CCCCCN[C@@H](C(C)C)COc2ccccc2C1=O 643569632 NBKKOAOUXBKFSK-QGZVFWFLSA-N 318.461 3.326 0 40 DGAB CCn1cnc2c(Nc3ccccc3OC(F)(F)F)ncnc21 1888914275 WHVWKDCVWTZTME-UHFFFAOYSA-N 323.278 3.488 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc(Cl)c1 8287311 BCTVEJPQSZDGMA-UHFFFAOYSA-N 303.671 3.194 0 40 DGAB CCc1cccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@@H]2C)c1 4520363 LCMCFIMDFHOMQO-CZUORRHYSA-N 317.433 3.208 0 40 DGAB O=S(=O)(NCc1cc(-c2ccoc2)cs1)c1ccccc1 1775969974 VCBCLDSSNRVNQG-UHFFFAOYSA-N 319.407 3.487 0 40 DGAB CCn1c(=O)c(C(=O)Nc2cccc(C)c2)c(O)c2ccccc21 100704288 VYSSUTJILZHPIW-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB O=C(c1cccc(Nc2ncccn2)c1)N1CCc2ccccc21 30775474 YIBFRXRATMTNLL-UHFFFAOYSA-N 316.364 3.423 0 40 DGAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1ccc2ccccc2c1 100503975 WVULZFFLGAIVPQ-DIECFANBSA-N 307.349 3.301 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1 382703 UEJPQYQPLCAFDK-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB O=C(Nc1ncn[nH]1)c1cc2ccccc2n1Cc1ccccc1 52555575 HSYBCSJPAZIXKD-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB CCOc1ccc(C(=O)NC[C@@H](C(C)C)N(CC)CC)cc1 32913238 XZLFFLBQZMDBOM-KRWDZBQOSA-N 306.450 3.182 0 40 DGAB C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccccc1 33145114 JJXCNVYEIHPTRT-GFCCVEGCSA-N 301.390 3.177 0 40 DGAB Cc1ccc(C(=O)NC(C(=O)OC(C)C)=C(Cl)Cl)cc1 3109699 STIMXBCSHAPQKD-UHFFFAOYSA-N 316.184 3.323 0 40 DGAB CC(C)Nc1nnc(SCC(=O)Nc2ccccc2)s1 3383588 FDGWXBZYNJSEPJ-UHFFFAOYSA-N 308.432 3.089 0 40 DGAB CC[C@]1(C)Cc2ccccc2-c2nc(SC)n(C)c(=O)c21 546174 SCGHSSUWODPDNR-QGZVFWFLSA-N 300.427 3.393 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c1C 4385167 HRPXHIUOPWNSCH-HNNXBMFYSA-N 314.429 3.105 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 7383314 LZZNESITBMAAEP-UHFFFAOYSA-N 324.380 3.326 0 40 DGAB Cc1cc(C)cc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 7928705 ZSTWVEKPYBWHKF-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB CCOc1c(Br)cc(Br)cc1CNC 8253298 ABRAIWMNCSTNDT-UHFFFAOYSA-N 323.028 3.330 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)N[C@H](C)CCc2ccco2)c1 47742566 VFJANAGJAWECJK-HUUCEWRRSA-N 301.386 3.493 0 40 DGAB CC(C)(C)c1nc(-c2ccc(NC(=O)NC3CC3)cc2)no1 54539402 NVYMWDZVEQTETC-UHFFFAOYSA-N 300.362 3.318 0 40 DGAB COC(=O)c1ccc(Cn2c(-c3ccccc3)cccc2=O)cc1 1382352 NJZAQIZCUCGGDK-UHFFFAOYSA-N 319.360 3.350 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc3cn[nH]c23)cc1 55581223 HPGLBSWLOWBPID-MDZDMXLPSA-N 313.382 3.284 0 40 DGAB Cc1cc(NC(=O)CN[C@H](c2ccc(F)cc2)C(C)C)no1 57273632 KOTLYXJYOIZHCI-INIZCTEOSA-N 305.353 3.048 0 40 DGAB CC(C)(C)NC(=O)c1cnc(OCC(F)(F)F)c(Cl)c1 47911674 RUHCOIFDGFMOKA-UHFFFAOYSA-N 310.703 3.204 0 40 DGAB CNC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 12622468 FYLAIJMLYONMGN-UHFFFAOYSA-N 320.751 3.020 0 40 DGAB COCc1cc(C(=O)N2CCC[C@@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)no1 110629471 AQRHYYYLQVOWJN-ZQDZILKHSA-N 318.417 3.252 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2ccccc2)c1 3398289 LRQYWDCPJNWFCZ-ZDUSSCGKSA-N 311.337 3.073 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCc3ccccc32)c1C 12779808 PBNPMIOUXXRCLA-UHFFFAOYSA-N 312.369 3.011 0 40 DGAB CC1CCN(C(=O)CNc2ccc(C(F)(F)F)cc2)CC1 58305939 TYSAOTNJQBGLJU-UHFFFAOYSA-N 300.324 3.376 0 40 DGAB CCCN(C(=O)NCC(F)(F)F)[C@@H]1C[C@@H](OCC)C1(C)C 72305977 VJFSJBQPQAIXOD-GHMZBOCLSA-N 310.360 3.174 0 40 DGAB c1ccc2oc(NCC3(N4CCOCC4)CCCCC3)nc2c1 12804536 GJIUUYOIONNQAE-UHFFFAOYSA-N 315.417 3.275 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(C)cc1 3511324 PYGFXUJNXDEFLW-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB FC(F)(F)c1nnc2ccc(Oc3ccc4c(c3)CCC4)nn12 12927757 PXBORSCICXJHTL-UHFFFAOYSA-N 320.274 3.424 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNCc1ccc2c(c1)OCO2 48681111 XNURNRHUDOGIAF-UHFFFAOYSA-N 321.808 3.215 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)o1 22246117 ALSZFQQAWCIOQR-IAQYHMDHSA-N 323.389 3.363 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1SC 63901631 GFHFTIZSFIVPSC-OAHLLOKOSA-N 300.383 3.271 0 40 DGAB Cn1cnnc1Sc1ccc(NC(=O)c2cccs2)cc1 8762406 LQUAVJPSWZVNPH-UHFFFAOYSA-N 316.411 3.280 0 40 DGAB Cc1cccn2cc(CSc3nnc4n3CCCCC4)nc12 6097200 HBSSTZNUGWNOJD-UHFFFAOYSA-N 313.430 3.253 0 40 DGAB Cc1ccc([C@H](O)CN2CCN(c3cccc(C)c3)CC2)cc1 65255296 GJNIWWQMKPOUDJ-HXUWFJFHSA-N 310.441 3.159 0 40 DGAB O=C(CC(c1ccccc1)c1ccccc1)NC1=NCCS1 4309560 KCILYRJLEUKZDP-UHFFFAOYSA-N 310.422 3.428 0 40 DGAB CCC(=O)N(C)Cc1nnc(-c2ccc(C(C)(C)C)cc2)o1 408713843 ALWOOOQHAMALSM-UHFFFAOYSA-N 301.390 3.403 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2Cl)c2c(C)noc2n1 14261783 HPLKGTWYXBKFPM-UHFFFAOYSA-N 315.760 3.423 0 40 DGAB Cc1cccc(OCc2nnc(NC(=O)CC(C)C)s2)c1 4715284 CDQUWGQMKHTEAQ-UHFFFAOYSA-N 305.403 3.410 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccccc1 4828428 RBTSQELNJVXYCS-JTQLQIEISA-N 315.354 3.449 0 40 DGAB Cc1cccc2cc(COC(=O)c3ccccc3F)c(=O)[nH]c12 5818563 VYAACZJDLLGUJG-UHFFFAOYSA-N 311.312 3.333 0 40 DGAB COc1cccc(-c2cc(C(=O)NCc3ccc(C)cc3)n[nH]2)c1 6942809 KKOOPLHXUUDNNJ-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB biogenic Clc1ccc(CN2CCN(Cc3cscn3)CC2)s1 67131720 CVRDTDKKCOYDJL-UHFFFAOYSA-N 313.879 3.176 0 40 DGAB COc1ccc(CN2C(=O)CN=C2Nc2ccc(C)cc2C)cc1 20143132 MZRLTHQLKKLCSS-UHFFFAOYSA-N 323.396 3.122 0 40 DGAB CN(CC(=O)NC1CCCCC1)[C@@H]1CCCc2ccccc21 8126824 LAJSNNCDKPCUGY-GOSISDBHSA-N 300.446 3.445 0 40 DGAB O=C(OCc1nc(-c2ccccc2Cl)no1)c1ccco1 8290100 WPQZBWWHZUGRMU-UHFFFAOYSA-N 304.689 3.340 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2cc(F)cc(F)c2)cc1OC 20029685 OTDIGXPRDCRZOY-JTQLQIEISA-N 321.323 3.473 0 40 DGAB CC(=O)c1csc(C(=O)N(C)c2nc3ccccc3n2C)c1 97377809 APFKQZYXJQVHGF-UHFFFAOYSA-N 313.382 3.114 0 40 DGAB Cc1ccccc1[C@@H](C)Nc1cnn(C)c(=O)c1Br 71903091 MXBMCUPTNOVPFZ-SNVBAGLBSA-N 322.206 3.024 0 40 DGAB COC(=O)CNc1ccc(Cl)cc1[C@@H](O)c1ccccc1 71922450 GFQHJZMGMSSVCR-INIZCTEOSA-N 305.761 3.007 0 40 DGAB O=C(Nc1cnn(-c2ccccc2)c1)[C@H]1COc2ccccc2C1 84576659 GHYXJNDITMQZAQ-OAHLLOKOSA-N 319.364 3.062 0 40 DGAB CC(C)[C@H]1CN(C)CCN1c1ncnc2c1oc1ccccc12 72291278 DCUYBADQUKEBJJ-CQSZACIVSA-N 310.401 3.152 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@H]2CCCSc3ccccc32)C1 95423778 BGQACXYVQHGKIC-HOCLYGCPSA-N 318.486 3.460 0 40 DGAB CC[C@@H](C)n1nccc1NC(=O)c1cc(-c2ccccn2)no1 74346919 NHMNJOWOLJKKST-LLVKDONJSA-N 311.345 3.156 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2ccc(C)c(C)c2)cs1 9951421 HJXLLAVJOQZMMU-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB CCOC(=O)c1cnn(Cc2nc3ccccc3o2)c1C(F)F 89984902 LDMFWSUHCKLQFK-UHFFFAOYSA-N 321.283 3.187 0 40 DGAB O=C(CN1CCc2ccccc2C1)N[C@@H]1CCCc2ccccc21 38332516 PDGIEJUEFQVJSL-HXUWFJFHSA-N 320.436 3.239 0 40 DGAB CCOc1ccccc1NC(=O)c1cn(C)c2ccccc2c1=O 408713164 MKFWMXKUGAYNND-UHFFFAOYSA-N 322.364 3.190 0 40 DGAB Cc1ccsc1C(=O)N[C@H]1CCCN(C(=O)OC(C)(C)C)C1 79438656 OLFNEAOIIOFHFL-LBPRGKRZSA-N 324.446 3.186 0 40 DGAB CC[C@@H](C)c1ccc([C@@H](C)NC(=O)c2nc3ncccn3n2)cc1 36611691 WAHTVDRTUWBVOR-CHWSQXEVSA-N 323.400 3.129 0 40 DGAB CN(CCc1ccccn1)c1nccc(CCC(F)(F)F)n1 71754754 BYTOJEVOAHPWRL-UHFFFAOYSA-N 310.323 3.045 0 40 DGAB NC[C@@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1565524312 IUFVLUJBKCZETP-AWEZNQCLSA-N 300.789 3.038 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC(C)(C)C 224085972 YRTJOEFAQWAPCQ-ZDUSSCGKSA-N 322.424 3.258 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)COC2CCCCC2)c1 44350725 XQLBNAAJPIUGQW-CYBMUJFWSA-N 321.417 3.230 0 40 DGAB CC[C@H](C)NC(=S)Nc1ccc(Oc2ccccc2)nn1 225186991 YZBKZBGSIVBMKP-NSHDSACASA-N 302.403 3.354 0 40 DGAB Cc1nc(N)sc1-c1nc(-c2ccc(OC(F)F)cc2)no1 89263112 CBOGTMYZRULQRF-UHFFFAOYSA-N 324.312 3.352 0 40 DGAB C[C@@H](CNC(=O)NCc1cccnc1)Oc1ccc(Cl)cc1 80633161 DEABVNJAGQXKQR-LBPRGKRZSA-N 319.792 3.002 0 40 DGAB CC[C@H](C)c1cc(Cl)ccc1O[C@@H]1CN[C@H](C(=O)OC)C1 42783141 ZPUKFHMHRAPVIF-JKOKRWQUSA-N 311.809 3.136 0 40 DGAB CCCCCOc1ccc2cc(S(=O)(=O)NC)ccc2c1 41105635 MXJIIIFRPWBRPR-UHFFFAOYSA-N 307.415 3.317 0 40 DGAB Cc1ccc(CNc2ccccc2CN2CCC(CO)CC2)o1 86258010 AIXVEROWWXPHHE-UHFFFAOYSA-N 314.429 3.404 0 40 DGAB CCN(CC(C)(C)O)C(=O)NCc1csc2ccccc12 96462380 HIMASBSVPXBEEW-UHFFFAOYSA-N 306.431 3.204 0 40 DGAB Clc1ccc(N2CCC(OC[C@H]3CCCCO3)CC2)nc1 96455889 OKVLIJYEBXMYFB-OAHLLOKOSA-N 310.825 3.290 0 40 DGAB Cc1nscc1C(=O)Nc1nc(-c2cccn2C)cs1 97237466 VTYARYDOSPNKSP-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB C[C@@H](CNCc1ccc(Br)cc1)Oc1ccccn1 95472044 IGNAEEZEMCNXFV-LBPRGKRZSA-N 321.218 3.401 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257270077 MSRMMDYQUINAJB-AWEZNQCLSA-N 317.458 3.129 0 40 DGAB CC[C@H](NC[C@H](CCO)c1ccccc1)c1ccc(OC)cn1 585085422 MAWWNWGMCAZGKB-WMZOPIPTSA-N 314.429 3.297 0 40 DGAB Cc1cc(N(C)C)cc([C@@H]2CCN(Cc3scnc3C)C2)n1 257299633 RQWIMAYSBUVTQB-CQSZACIVSA-N 316.474 3.210 0 40 DGAB Cc1ccnc([C@H]2CCN(C(=O)c3cc4cc(F)ccc4[nH]3)C2)n1 257257769 KQZLZFSTUPIZHK-LBPRGKRZSA-N 324.359 3.035 0 40 DGAB O=C(O)c1cc(=O)c(Oc2cccc(Cl)c2Cl)co1 256053660 SHTGCOPVHAMYHL-UHFFFAOYSA-N 301.081 3.437 0 40 DGAB O=C(CCc1cccnc1)N1CCCC[C@@H]1c1nccs1 72285819 DUNZUZCPPMNRPL-CQSZACIVSA-N 301.415 3.225 0 40 DGAB O=C(Nc1ccc2[nH]ncc2c1)N1CCO[C@@H](c2ccccc2)C1 72285307 SDSUHIMMBYDKQP-QGZVFWFLSA-N 322.368 3.168 0 40 DGAB CN(Cc1ccco1)C(=O)c1ccc(Br)cc1O 44490667 IHRGQMXDPGGXHD-UHFFFAOYSA-N 310.147 3.020 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCc2sccc2C)on1 46987485 WDSPQQYLHSTNET-LBPRGKRZSA-N 305.403 3.400 0 40 DGAB CCN(CC)C[C@@H](O)CNc1ccnc2cc(Cl)ccc12 2042605 ZVFMMJFXUUKKFN-ZDUSSCGKSA-N 307.825 3.003 0 40 DGAB CC(C)(C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 5007303 OGEMNYONPJVGCD-FMIVXFBMSA-N 319.382 3.065 0 40 DGAB COc1cccc(CNCc2cc3c(C)ccc(C)c3[nH]c2=O)c1 13998575 ACKBHISIZNVNEE-UHFFFAOYSA-N 322.408 3.443 0 40 DGAB CCn1c(NCc2ccc([S@@](C)=O)cc2)nc2ccccc21 158912336 JMEUFPXJIRPTML-QFIPXVFZSA-N 313.426 3.406 0 40 DGAB COc1ccc(N2C(=O)S/C(=C/c3cccn3C)C2=O)cc1 5552660 VDXVTTFLYGSRDG-GXDHUFHOSA-N 314.366 3.275 0 40 DGAB COc1ccc2c(c1OC)O[C@@H]1c3ccc(O)cc3OC[C@@H]21 14820586 UOVGCLXUTLXAEC-SWLSCSKDSA-N 300.310 3.019 0 40 DGAB endogenous,in-man C[C@@H]1CCCCN1C(=O)CSc1ncnc2sccc12 3604344 KQPNIZBTESSKNS-SNVBAGLBSA-N 307.444 3.184 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N1CCC(c2ccccc2)=N1 7114869 AIAAOFCCCCXQAP-HNNXBMFYSA-N 319.408 3.074 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 9827734 BLUWUUXEYVSINI-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB Cc1ccnc(NC(=O)NCCCSc2ccccc2)n1 10220860 AYIMQHGVIYEBJD-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB CC1CCN(C[C@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 10383775 BHDZATDKILUROV-NRFBVMONSA-N 321.505 3.312 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3ccccc3OC)ccc21 17289130 HXSJFMSKGPIGMS-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB COc1ccc2nc(-c3nn4c(C5CC5)nnc4s3)ccc2c1 20738307 HKSVRJFXRKIOJF-UHFFFAOYSA-N 323.381 3.287 0 40 DGAB CCOc1cccc2cc(C(N)=O)/c(=N/Cc3ccccc3)oc12 13144872 RTNKGYXNIXZHIB-VZCXRCSSSA-N 322.364 3.031 0 40 DGAB CNC[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 40596176 HCPCTRUUGIKTQN-SNVBAGLBSA-N 301.217 3.065 0 40 DGAB Cc1ccc(-c2nc3ccccc3c(=O)n2-n2cccc2)cc1 208952 NLARMALPRYDCQD-UHFFFAOYSA-N 301.349 3.485 0 40 DGAB COCc1cc(O)n2nc(C)c(-c3ccc(Cl)cc3)c2n1 102681422 LYENQBZMRHUHKX-UHFFFAOYSA-N 303.749 3.210 0 40 DGAB COC(=O)CCCCCCNC(=O)c1cccc2cccnc12 32900482 FWKXWPMLZZBJHA-UHFFFAOYSA-N 314.385 3.088 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCCc2cccc(F)c21 32906856 VWKLUCKOHOGBMQ-XJKSGUPXSA-N 304.409 3.273 0 40 DGAB COc1ccc(-c2c(C)c3ccc(O)cc3oc2=O)cc1OC 57795 AQGVQGLSKSEDGI-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB biogenic COc1ccc(C2=C[C@@H](c3cccs3)NC(=S)N2)cc1 108959 LZGMHMXCSJIMSL-ZDUSSCGKSA-N 302.424 3.317 0 40 DGAB C[C@@H](c1ccccc1)N1C[C@H](C(=O)NC2CCCCC2)CC1=O 219755 SANZUEVXRMVMNJ-GOEBONIOSA-N 314.429 3.045 0 40 DGAB CN(C)CCOc1cccc2c1Sc1ccccc1C[C@@H]2O 346400 AKQJVADHSGPTKV-HNNXBMFYSA-N 315.438 3.368 0 40 DGAB CC(=O)Nc1ccc(C(=O)O[C@H](C)C(=O)c2ccccc2)cc1 482424 LCKCGGCWXXLITE-GFCCVEGCSA-N 311.337 3.073 0 40 DGAB CCOc1ccc(-c2nn3c(-c4cccnc4)nnc3s2)cc1 527733 JBPUTKVOSWJTTD-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB O=C(/C=C/c1ccccc1)NC(=S)Nc1ccc(F)cc1F 2582335 UUZARPNCOAFDCT-RMKNXTFCSA-N 318.348 3.491 0 40 DGAB O=C(NC1C[C@@H]2CCC[C@H](C1)N2C1CC1)c1ccc(F)cc1 4886646 KMBPKEFRAXNVLW-ZXFUBFMLSA-N 302.393 3.103 0 40 DGAB CSc1nc2ccccc2n1CC(=O)NCc1cccs1 5186821 NJYSYDFBHRWGGM-UHFFFAOYSA-N 317.439 3.136 0 40 DGAB Clc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 5279881 LQYPNNSXMKRDKO-UHFFFAOYSA-N 322.759 3.373 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1cccc(OC)c1 5295137 MFSHRYNTSNETBN-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB O=C(NCc1ccco1)c1cc2cc(Br)ccc2[nH]1 5352464 DEMLSEOAGMGJSE-UHFFFAOYSA-N 319.158 3.453 0 40 DGAB COc1ccc(CN2C(=O)N[C@](C)(CCC(C)C)C2=O)cc1F 6851342 WNBPDRMJGYHXBS-QGZVFWFLSA-N 322.380 3.081 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(F)cc1F 7056401 YSNKSQVTVKRDPL-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(CN2CCCC2=O)cc1 7129351 SOKOBPTVTOGZBA-UHFFFAOYSA-N 312.344 3.200 0 40 DGAB O=C(NCCSCc1ccc(Cl)cc1)c1ccccn1 7270763 MPLONRCUGLFGIW-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(F)cc2)n1 8476884 UZFHAWFQYKXYGJ-UHFFFAOYSA-N 324.359 3.213 0 40 DGAB COc1ccc(CNC(=O)CCc2ccsc2)cc1OC 8849751 SWXRGJLHXHMGEV-UHFFFAOYSA-N 305.399 3.014 0 40 DGAB Oc1cc(CSc2ccccn2)nc2nc3ccccc3n12 9059588 OGWSODVTIYDPNB-UHFFFAOYSA-N 308.366 3.275 0 40 DGAB C[C@H](NC(=O)c1ccc(OCc2cscn2)cc1)C1CC1 9218899 FGWLEHOBHHELFJ-NSHDSACASA-N 302.399 3.250 0 40 DGAB CSc1cccc2sc(NC(=O)CSC(C)=O)nc12 9320835 ZIFYYVZALXLCRC-UHFFFAOYSA-N 312.441 3.236 0 40 DGAB NC(=O)c1ccc(NC(=O)c2ccc(-c3ccccc3F)o2)cc1 9550067 BPNNJAXMWICESG-UHFFFAOYSA-N 324.311 3.437 0 40 DGAB CCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCCC2 12233595 DCWKPGWXPJTTLI-UHFFFAOYSA-N 315.417 3.291 0 40 DGAB O=C(NC1CC1)c1cccc(NC(=O)c2c[nH]c3ccccc23)c1 12805940 IIBPMNNVKKQADA-UHFFFAOYSA-N 319.364 3.312 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCc1cccs1 12948548 NYJNHIALEZCTBQ-CMDGGOBGSA-N 323.421 3.306 0 40 DGAB Cc1ccc(NC(=O)CCN2C(=O)COc3ccccc32)cc1C 12985968 ZOSLGBIRDMYKEL-UHFFFAOYSA-N 324.380 3.058 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3sccc23)C1 13112410 IQBALWJUBPIFMM-PHIMTYICSA-N 321.471 3.288 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(C(=O)O)cc1 13710084 XUURBULGXCVKGH-SNVBAGLBSA-N 319.744 3.444 0 40 DGAB COC(=O)c1c(NC(=S)NC2CCCC2)sc2c1CCC2 13818368 DOGWAWAOALZJIM-UHFFFAOYSA-N 324.471 3.252 0 40 DGAB O=S(=O)(NCCC1=CCCCC1)c1ccc(F)cc1F 13938383 FZUWBEQGJPXRBG-UHFFFAOYSA-N 301.358 3.134 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nnc(C2CCCCC2)s1 14128902 KNYNWTZXONICDR-UHFFFAOYSA-N 320.418 3.372 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)c(Cl)c1 18019501 IKBFKACRMVEESM-UHFFFAOYSA-N 322.151 3.415 0 40 DGAB O=C(NC1CC1)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29436190 URCWDXCKUSASBI-GOSISDBHSA-N 305.381 3.273 0 40 DGAB C[C@H](NC(=O)CCC(=O)c1ccc2c(c1)CCC2)c1ccccn1 29600462 PGPNCCIBTCBDAJ-AWEZNQCLSA-N 322.408 3.411 0 40 DGAB COc1ccc(-c2csc(CCNC(=O)C(C)C)n2)cc1 31848754 XRSYSSLORQKFOU-UHFFFAOYSA-N 304.415 3.133 0 40 DGAB CCOc1ncccc1C(=O)N1CCCc2cc(F)c(F)cc21 31926669 XIJZBTRKYOKIOV-UHFFFAOYSA-N 318.323 3.352 0 40 DGAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2C)cc1 32617235 COEVRLHOISCAHV-UHFFFAOYSA-N 324.405 3.217 0 40 DGAB CC1(C)Cc2cccc(OCCNC(=O)C[C@@H]3C=CCC3)c2O1 32817692 WOHMHDSXTVEUIQ-CQSZACIVSA-N 315.413 3.251 0 40 DGAB Cc1cc(COC(=O)c2cc(C3CC3)nn2-c2ccccc2)on1 32830147 KKAQKDHFSFNEBZ-UHFFFAOYSA-N 323.352 3.403 0 40 DGAB CCc1sc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1C 32901839 QYIYEZCHPBBFGD-UHFFFAOYSA-N 303.387 3.362 0 40 DGAB CN(C)/C=C1/CCCCN2C(=O)/C(=C/c3ccc(F)cc3)N=C12 33551565 QLWOZEGNFKTPGH-BVHAAYFQSA-N 313.376 3.037 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)OCc1ccccc1 34162758 DFBLOFPQNCBVTI-AWEZNQCLSA-N 305.374 3.129 0 40 DGAB CCOc1ccc(S(=O)(=O)NCC(C)C)c2ccccc12 36638889 OCANWXOJQREYBF-UHFFFAOYSA-N 307.415 3.173 0 40 DGAB Cc1nc(NC(=O)COC2CCCC2)sc1-c1ccccn1 44409546 IWJAKPWAICBTCS-UHFFFAOYSA-N 317.414 3.411 0 40 DGAB COc1ccc(CCC(=O)N(C)Cc2ccccc2OC)cc1 45477039 GUSILSVPELOIBW-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB Cc1ccccc1OCC(=O)NCc1cccc(OC(C)C)c1 46664020 QEJSLPSFMVBUKX-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 46787056 LSJJBGKRQDYFMP-GWCFXTLKSA-N 301.308 3.452 0 40 DGAB CC(C)c1nc(Cn2c(NCCO)nc3ccccc32)cs1 47369936 DHWXTEJTDSPOIG-UHFFFAOYSA-N 316.430 3.069 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2c2ccsc2)on1 48290014 XMHMQGBTSGHHHM-WCQYABFASA-N 305.403 3.209 0 40 DGAB C[C@H](NC(=O)NCc1nc2ccccc2s1)c1ccco1 48342666 IZBULRSWUVGHKB-JTQLQIEISA-N 301.371 3.450 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1Cl)c1nnc2ccccn12 48374337 REFOTVVOEVJKRP-SECBINFHSA-N 318.739 3.013 0 40 DGAB Cn1cc(-c2nc(C(=O)OCc3cccc(F)c3)cs2)cn1 48374605 CGNOVLPCRWEFDQ-UHFFFAOYSA-N 317.345 3.040 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccccc2Cl)n1 48406584 HNWOQWXMGMWQEV-LLVKDONJSA-N 305.809 3.219 0 40 DGAB CCOc1cc(/C=C/C(=O)Nc2ccc(O)cc2)ccc1OC 52410723 NZZYSQXQIUZCDI-VZUCSPMQSA-N 313.353 3.451 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CCCOc3ccc(F)cc32)c1 53367724 OANYGKINHYCMBI-AWEZNQCLSA-N 316.332 3.000 0 40 DGAB CC(C)N(C)Cc1ccc(CNC(=O)COC2CCCC2)cc1 54119289 HZRAYLGKCAMSED-UHFFFAOYSA-N 318.461 3.102 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 54538797 CMBSKGOAHSGABX-GJZGRUSLSA-N 314.433 3.024 0 40 DGAB C[C@H](OC(=O)CC[C@@H](N)C(=O)O[C@@H](C)C(C)(C)C)C(C)(C)C 55124484 NWFOJMQOKNLKHC-RWMBFGLXSA-N 315.454 3.050 0 40 DGAB CCN(Cc1ccco1)S(=O)(=O)c1cccc2cnccc12 55244753 SHBOHDLAHMZTQM-UHFFFAOYSA-N 316.382 3.039 0 40 DGAB O=C(Nc1ccccc1)N1CCN(C2Cc3ccccc3C2)CC1 57530771 IANTTWACPPTNPU-UHFFFAOYSA-N 321.424 3.004 0 40 DGAB Cc1cc(Oc2ccccc2OCC(F)(F)F)n2ncnc2n1 57839604 SAHIMVUVRVCWPK-UHFFFAOYSA-N 324.262 3.166 0 40 DGAB CC(C)CN1CCC(NC(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 65593530 UNORZCVHDDWZAZ-MSOLQXFVSA-N 300.446 3.027 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)N[C@H]1c2ccccc2C[C@H]1O 65606848 BSMXNVMFKZWMCG-CABCVRRESA-N 320.751 3.259 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(C)C1CC1 67783728 YIHQBCJFFGURJI-UHFFFAOYSA-N 316.184 3.196 0 40 DGAB O=C1CCc2cc(-c3csc(N4CCCC4)n3)c(F)cc2N1 69982458 CXXCYUJAMZECEC-UHFFFAOYSA-N 317.389 3.434 0 40 DGAB Cc1csc(C2(NC(=O)CCCn3cccn3)CCCC2)n1 71902964 LRVNARDNRNGBFL-UHFFFAOYSA-N 318.446 3.014 0 40 DGAB CC(C)c1noc(Cc2c(C(=O)O)noc2-c2ccccc2)n1 72220499 JRHSQANKBJBMPT-UHFFFAOYSA-N 313.313 3.137 0 40 DGAB COCCN(Cc1ccccc1)C(=O)Nc1ccc2[nH]ncc2c1 72285302 VCGCKWMSCLQQHK-UHFFFAOYSA-N 324.384 3.243 0 40 DGAB O=C(c1ccco1)N1CCC(c2[nH]ncc2-c2ccncc2)CC1 72334790 MDIAANXAEFPHDT-UHFFFAOYSA-N 322.368 3.085 0 40 DGAB CC(C)N(C(=O)[C@H]1SCCc2ccccc21)C1CCOCC1 74957632 SFCRJGCBCOFDLC-KRWDZBQOSA-N 319.470 3.433 0 40 DGAB Cc1nc(C(C)(C)NC(=O)c2cnn(C(C)(C)C)c2)sc1C 76649519 AZWFZLFGOUEJIP-UHFFFAOYSA-N 320.462 3.377 0 40 DGAB Cc1ccoc1C(=O)N(C)[C@@H]1CCCN(Cc2ccccc2)C1 80501599 OZCIAWQPIBMZTE-QGZVFWFLSA-N 312.413 3.325 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)N1CC[C@@H](Oc2cccnc2)C1 84490428 XJAADFDCYDEGSW-CQSZACIVSA-N 322.368 3.248 0 40 DGAB CC1(C)Cc2cccc(CNC[C@H]3CCCn4ccnc43)c2O1 84673789 GIEBTHLVZZYQDF-MRXNPFEDSA-N 311.429 3.264 0 40 DGAB CN(Cc1nccn1C)C(=O)c1ccc(Oc2ccccc2)o1 89761427 FPTPSAVLZJLTMD-UHFFFAOYSA-N 311.341 3.078 0 40 DGAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H]1CCOC1 89913741 ANYHJDJUZZVLJO-NWDGAFQWSA-N 319.430 3.035 0 40 DGAB Cc1nc2ccc(C(=O)Nc3nc(CC(C)C)n[nH]3)cc2s1 95474127 QENJULLSMRZMKR-UHFFFAOYSA-N 315.402 3.174 0 40 DGAB COc1cccc(C(N[C@@H]2CCOC2)c2cccc(OC)c2)c1 95968905 MCYRUDGXWXFUIO-MRXNPFEDSA-N 313.397 3.172 0 40 DGAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4ccc(C)s4)C[C@H]3O2)n1 96042726 KTFSDTQXIZIWTA-NWANDNLSSA-N 319.430 3.100 0 40 DGAB Cn1ncc2c1CN(Cc1cccs1)C[C@@H]2COCC1CC1 96044633 MOWVBJBZAXMOAW-CQSZACIVSA-N 317.458 3.008 0 40 DGAB NC(=O)c1ccc(CN(CCC(F)(F)F)C2CCC2)cc1 96460866 RDVURSXRRINVOM-UHFFFAOYSA-N 300.324 3.092 0 40 DGAB Cc1sc2ncnc(N(C)[C@H](C)C(=O)OC(C)C)c2c1C 97016145 XYIBANNGNFNSPA-SNVBAGLBSA-N 307.419 3.084 0 40 DGAB CCc1nc([C@@H](C)NCC(=O)Nc2cccc(F)c2)cs1 97112232 UYSNCPJSUVQBGU-SNVBAGLBSA-N 307.394 3.134 0 40 DGAB O=C(N[C@@H]1CCc2nccn2C1)c1cc2cc(Cl)ccc2o1 97197514 OQJFAODEVDZMCK-GFCCVEGCSA-N 315.760 3.028 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@H]1C[C@@H]2CC[C@@H]1C2 100616685 XPRKLRRZRRYZIW-XPKDYRNWSA-N 320.392 3.105 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O 101275648 AHEBHLGYDMEWED-MRXNPFEDSA-N 308.381 3.301 0 40 DGAB Cc1cc(Cl)ccc1C(=O)OCc1nnc(C)n1C1CC1 179660648 IEBAUEPYNXUKNR-UHFFFAOYSA-N 305.765 3.240 0 40 DGAB CC[C@H](C)NC(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181823985 OVUYVRPGHJDFGC-JTQLQIEISA-N 306.793 3.203 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1ccc(Cl)cc1-n1cccn1 191497047 XDJVGDMBSKGETL-GFCCVEGCSA-N 305.765 3.033 0 40 DGAB CCC(C)(C)[C@H]1CCCN1CCCN1CCN(C(C)C)CC1 192775942 AZHXUEHXVXRXBO-GOSISDBHSA-N 309.542 3.303 0 40 DGAB CCc1noc(C)c1C(=O)Oc1cc2cnccc2cc1OC 195553025 POLUEUWCNGZRDM-UHFFFAOYSA-N 312.325 3.321 0 40 DGAB Cc1ccc(NC(=O)C[C@@H](C)CC(=O)Nc2ccccn2)cc1 199411969 LAOQMBUJJWNSBM-CQSZACIVSA-N 311.385 3.384 0 40 DGAB COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1 225636932 PIEJPPRDVWPXEM-KSSFIOAISA-N 321.417 3.246 0 40 DGAB COc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1Cl 225915508 KIKAAVVKRYWBAZ-UHFFFAOYSA-N 313.781 3.076 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@@H]1CC[C@H](O)C1)c1cccs1 230484560 GWTTWCCWJFQFIX-RDBSUJKOSA-N 310.463 3.296 0 40 DGAB CN(C)CC[C@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 248069365 AQUBMGKXPQOTMY-INIZCTEOSA-N 318.852 3.045 0 40 DGAB Fc1ccc(N2CCc3c(ncn3CCc3ccccc3)C2)nc1 252509966 YZIOCMGTRFWRRN-UHFFFAOYSA-N 322.387 3.223 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NC[C@H]1CCCO1 257173878 ZUOBAAFWTHYPMJ-OAHLLOKOSA-N 314.360 3.105 0 40 DGAB O=C(c1cc[nH]n1)N1CCC(Cc2cnc3ccccc3c2)CC1 257340310 ZFLNLPQJGYMUCH-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB O=C(N[C@H]1C[C@H]1Cc1ccccc1)c1cc(O)nc(C2CC2)c1 547780760 HDWCXRXENIPZAC-PBHICJAKSA-N 308.381 3.026 0 40 DGAB CC(C)c1ccc(NC(=O)N2CC[C@]3(CCCNC3)C2)cc1 567589213 FNDNWGOMWXLCHV-SFHVURJKSA-N 301.434 3.417 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1 572505459 BYASHJVVAQUUKN-ZWKOTPCHSA-N 324.355 3.027 0 40 DGAB CCC(CC)CN1CCC[C@]2(C1)CN(Cc1cncs1)C2=O 585099577 RARTZFNNBWIKOG-KRWDZBQOSA-N 321.490 3.004 0 40 DGAB C=CC(=O)Nc1ccc(C(=O)N2CCC(CCC)CC2)cc1 1587269454 ZWJRVBUYKWFKEB-UHFFFAOYSA-N 300.402 3.463 0 40 DGAB CCc1cc(C(=O)O)ccc1NC(=O)c1cc(Cl)cn1C 1597465840 YNNQKFMGABWEQT-UHFFFAOYSA-N 306.749 3.191 0 40 DGAB C1CC1c1nnc(C2CCN(c3nnc(C4CC4)s3)CC2)o1 2086968223 RXRKCNAANGCHSJ-UHFFFAOYSA-N 317.418 3.060 0 40 DGAB COc1ccc(Cl)c(-c2[nH]c(C=O)nc2Br)c1 1857794560 ABXWTISKJKCVSP-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB COC(=O)c1sccc1NC(=O)Cc1ccc(Cl)cc1 2741407 ZKHSIEPOGUZQJJ-UHFFFAOYSA-N 309.774 3.369 0 40 DGAB Cc1cc(F)cc2[nH]c(C(=O)NC[C@@H](O)c3ccsc3)cc12 76083918 CFBGCXSXCWGRGN-OAHLLOKOSA-N 318.373 3.140 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1cccc(Cl)c1 1353415 WBMPHBHXIIBVRP-UHFFFAOYSA-N 315.760 3.336 0 40 DGAB C[S@](=O)C[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 79015858 GUTGDWDGXCSOHH-OYHNWAKOSA-N 320.389 3.067 0 40 DGAB CN(Cc1ccccc1)C(=O)CCc1nc(-c2ccccc2)no1 2433849 KIWQPQDLAYTKHI-UHFFFAOYSA-N 321.380 3.328 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cn3ccccc3n2)o1 53175339 CXGSSQXNNMRMBP-BBRMVZONSA-N 323.396 3.300 0 40 DGAB CCOc1ncccc1C(=O)Nc1nc2ccc(F)cc2s1 7061982 GOALIFVBCDSYGW-UHFFFAOYSA-N 317.345 3.481 0 40 DGAB CCOc1cc(/C=C/C(=O)NCc2ccccc2)ccc1OC 7608879 KBFBESZOUYAELQ-ZRDIBKRKSA-N 311.381 3.424 0 40 DGAB CCOc1ccc(C(=O)Nc2nnc(C3CC3)s2)cc1OC 22738481 HEBLTIJXCUACGY-UHFFFAOYSA-N 319.386 3.075 0 40 DGAB Cc1c(C)n(C[C@@H](O)CN2CCCCC2)c2ccc(F)cc12 12421996 OQRBSWLZGASZPC-INIZCTEOSA-N 304.409 3.244 0 40 DGAB O=C(CSc1nccn1C1CC1)N1CCC[C@H]2CCCC[C@H]21 42639469 PHOXKUGAPATIDJ-UKRRQHHQSA-N 319.474 3.491 0 40 DGAB Cc1nc2c3ccccc3nc(SCC(=O)c3ccco3)n2n1 9939968 UNRSYOCFOPVZGS-UHFFFAOYSA-N 324.365 3.154 0 40 DGAB Cc1ccc(CN2CC[C@@H]3OCCC[C@@]3(COCC3CC3)C2)o1 107751983 CKHUCMLMMYHWJX-OALUTQOASA-N 319.445 3.386 0 40 DGAB Cc1ccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)nc1 12523350 VIOVIPGDVCJUFC-UHFFFAOYSA-N 300.406 3.041 0 40 DGAB CC[C@@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221060 OHEIXLBMIIKYCY-HIFRSBDPSA-N 308.853 3.467 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]2CCCC[C@@H]21 71828354 QOJRMTCPBDIVPV-ZBFHGGJFSA-N 310.401 3.062 0 40 DGAB Cc1cccc(N2CCN(C[C@H](O)c3ccccc3)CC2)c1C 25666511 LSMOWLIFVZSBLO-FQEVSTJZSA-N 310.441 3.159 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1cccc2c1CCCC2 25766225 KPOJAJPQPYOWFT-UHFFFAOYSA-N 311.429 3.487 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSc1nncc2ccccc12 44156620 PTDCUOPRLHHXIO-DOMZBBRYSA-N 315.442 3.417 0 40 DGAB C[C@@H](Sc1ncc2ccccn12)C(=O)NCc1cccs1 26591798 CHTYCWXUROUIFM-LLVKDONJSA-N 317.439 3.193 0 40 DGAB CSc1ccc(Cl)c(C(=O)NCc2cn(C)nc2C)c1 28218839 ZHKDXJYBQUTASS-UHFFFAOYSA-N 309.822 3.034 0 40 DGAB Cc1c(CN2CCSCC2)cccc1NC(=O)C1CCC1 58282919 BWBFGTACKSABMB-UHFFFAOYSA-N 304.459 3.282 0 40 DGAB O=C(Nc1ccc2nsnc2c1)c1coc2ccccc2c1=O 27794464 DUJLFMWIYOWRFQ-UHFFFAOYSA-N 323.333 3.050 0 40 DGAB CCn1cc(NC(=O)N[C@H]2CCSc3ccccc32)cn1 44935654 KVWDEDYUQQXGBE-ZDUSSCGKSA-N 302.403 3.262 0 40 DGAB CCOCCCNC(=O)c1cc2cc(Cl)ccc2nc1C 10331206 PYTYBHDSOUXWBX-UHFFFAOYSA-N 306.793 3.353 0 40 DGAB Cc1ccc([C@H]2CCCN2C(=O)CCNc2ncccn2)cc1C 58417814 OANLKUSYCOXZBP-QGZVFWFLSA-N 324.428 3.259 0 40 DGAB Cc1ccc(C(=O)NCc2noc(-c3ccccc3)n2)c(C)c1 58406932 MAORJJQHSNJXLT-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB COc1ccc2cc(C(=O)NCc3ccccc3)c(C)nc2c1 10402834 LHWYTQDYNAHYEQ-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB CCn1nc(C)c2c(C(=O)N3CCCCCC3)cc(C)nc21 28243574 AFQNLAAPUPRDDS-UHFFFAOYSA-N 300.406 3.084 0 40 DGAB O=C(CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 36351677 NYVAYBJBTHCYHS-UHFFFAOYSA-N 314.816 3.345 0 40 DGAB CC(C)CCC(=O)NCC(C)(C)c1ccc2c(c1)OCCO2 58759425 RZVJFKYQKJNLSK-UHFFFAOYSA-N 305.418 3.288 0 40 DGAB Cc1cc2c(cc1C(=O)NCc1ccccc1F)OCCCO2 46077762 VTBJLZXYIWFBRV-UHFFFAOYSA-N 315.344 3.225 0 40 DGAB COc1ccccc1/C=C/CNC1CCN(c2ccccn2)CC1 71924542 RXJIBOLASGOVDU-SOFGYWHQSA-N 323.440 3.362 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1C 3405195 QNPLTJRKGIZFIS-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CS[C@@H](C)C(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 49344981 KEURRCGYEFBRAR-NWDGAFQWSA-N 312.866 3.034 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)c1 71185776 MRAIFQHOUVTUER-AEFFLSMTSA-N 309.413 3.085 0 40 DGAB CCn1ncc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c1C 4165953 VFDYGAFNLCEJDB-UHFFFAOYSA-N 315.461 3.386 0 40 DGAB CC(C)[C@@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 64645014 CREWBBMJYHPACJ-MNOVXSKESA-N 320.368 3.280 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)NCc2ccc(C)cc2)cc1 6083750 IYUDBQADAFCEAJ-AWEZNQCLSA-N 310.397 3.314 0 40 DGAB CCC(=O)Nc1ccccc1-c1nc2ccc(C)cc2[nH]c1=O 4386689 QLGXIJYGIYAPPK-UHFFFAOYSA-N 307.353 3.247 0 40 DGAB CCCCNC(=O)/C(=C\c1ccc(C)cc1)n1ccccc1=O 13940613 RSBIBGSSHJNDMZ-SAPNQHFASA-N 310.397 3.071 0 40 DGAB Cc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)nn1C(F)F 13960433 HLBMITXBLNYNPA-UHFFFAOYSA-N 309.360 3.285 0 40 DGAB CC(=O)Nc1cccc(C(=O)Nc2nc(C(C)C)cs2)c1 14093444 XDVLBRZPFDDEEC-UHFFFAOYSA-N 303.387 3.477 0 40 DGAB COc1cc(C2(C(=O)N[C@@H](C)c3ccncc3)CC2)ccc1C 65620974 MHICIOCEULBTTM-AWEZNQCLSA-N 310.397 3.308 0 40 DGAB O=c1sc2ccccc2c(=O)n1Cc1cccc(Cl)c1 5685457 GXVQQIDNQDOZBC-UHFFFAOYSA-N 303.770 3.125 0 40 DGAB Cc1nccn1Cc1ccc(NC(=O)Cc2cccc(O)c2)cc1 66624718 DQWXRAFTGSNALG-UHFFFAOYSA-N 321.380 3.127 0 40 DGAB CS[C@@H](C(=O)Nc1cc(-c2ccncc2)n[nH]1)C(C)(C)C 96011058 ZFVMYADEDRWUJG-ZDUSSCGKSA-N 304.419 3.188 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C)c(F)c1 6914316 BFJCOCYDHVSFMW-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC1=C(C(=O)OC2CCCC2)[C@H](c2ccccc2)n2ncnc2N1 4987253 BTETUASEYNEVMQ-INIZCTEOSA-N 324.384 3.053 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)cc1 9336295 NXYCPGIQTTVHOZ-GOEBONIOSA-N 300.402 3.297 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 68725213 HEQMXCVDTLAZEC-CVEARBPZSA-N 318.380 3.224 0 40 DGAB CC(C)[C@@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1 16695462 QVCGUUPUKLDRIL-QGZVFWFLSA-N 304.365 3.022 0 40 DGAB CC(C)C[C@@H](C)N(C)C(=O)Nc1cccc(C(=O)N(C)C)c1 69351840 QXILXFSNJRMGKY-CYBMUJFWSA-N 305.422 3.287 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1[C@@H]1NC(=O)c2ccccc2N1 8394967 FKLPPCLELSYPRM-SFHVURJKSA-N 318.380 3.343 0 40 DGAB CC[C@@H](NC(C)=O)c1noc(-c2cccc(Br)c2)n1 69597346 BDJNGPCPMJPMRL-LLVKDONJSA-N 324.178 3.086 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1 69517938 KKRNCNMPIUJJMM-QZTJIDSGSA-N 300.446 3.013 0 40 DGAB CC(C)c1nnc(NS(=O)(=O)c2ccc(Cl)s2)s1 83956179 WTGPZTIAOYRCRP-UHFFFAOYSA-N 323.852 3.177 0 40 DGAB Cc1cn(CC(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc12 69628240 UFNZCXOIASSJHF-QGZVFWFLSA-N 322.412 3.047 0 40 DGAB COc1ccc(CN(C)C(=O)NCCc2ccccc2)cc1C 84093569 JQKZESVHHNSVRT-UHFFFAOYSA-N 312.413 3.388 0 40 DGAB CC(C)[C@H](NC(=O)c1cc[nH]c(=O)c1)c1ccc(Cl)cc1F 97081861 ZCPKOUJONXJYTM-HNNXBMFYSA-N 322.767 3.295 0 40 DGAB C[C@H](OC(=O)c1ccn2cncc2c1)c1nc2ccccc2o1 97081457 UZCDDYBQGMYAFX-NSHDSACASA-N 307.309 3.394 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 72235764 KRGRTBZBBCKZMF-CYBMUJFWSA-N 319.355 3.255 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)c(C)n1C1CC1 72234484 VVSLNTGGXIAZKE-ROUUACIJSA-N 315.461 3.139 0 40 DGAB CC(C)c1noc(N[C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)n1 84631144 VLRCBPANEGNEOX-VXGBXAGGSA-N 324.425 3.298 0 40 DGAB COC(=O)Cc1cccc(NC(=O)N[C@H](C)c2ccccc2)c1 95418867 OHXAFNRRMZGSGP-CYBMUJFWSA-N 312.369 3.285 0 40 DGAB Cc1oncc1NC(=O)c1cnc(Cc2ccc(F)cc2)s1 95430222 QFASCENDWQOFLD-UHFFFAOYSA-N 317.345 3.422 0 40 DGAB CC1(C)C[C@@H](NCc2ccc(Cn3ccnc3)cc2)C(C)(C)O1 95420166 ZKJRDJNNLWKQFL-QGZVFWFLSA-N 313.445 3.367 0 40 DGAB COC[C@@H](NC(=O)Nc1ccc2c(c1)CCCO2)c1ccco1 95405903 OWKNMIVCHGBSGA-CQSZACIVSA-N 316.357 3.114 0 40 DGAB CCOCc1ccccc1NC(=O)c1cc(F)cc2[nH]cnc12 84802803 ISTUSLOYRRLKRC-UHFFFAOYSA-N 313.332 3.491 0 40 DGAB COC(=O)c1ccccc1NC(=O)N1CCC[C@@H]1c1ccc[nH]1 89406995 WLENNGFQMJJRAR-OAHLLOKOSA-N 313.357 3.170 0 40 DGAB CC(=O)c1csc(NC(=O)c2ccc(F)c(F)c2F)n1 75094662 MIPGSKVBMZENGP-UHFFFAOYSA-N 300.261 3.015 0 40 DGAB C[C@@H](CC(=O)Nc1ccccc1)NCCc1ccccc1F 75568153 FLVOGVOMVYQBEC-AWEZNQCLSA-N 300.377 3.375 0 40 DGAB C/C1=N\C[C@H](C)NC(C)(C)C/C(C)=N/[C@@H](C)CNC(C)(C)C1 68604769 VPWMRWNDCNUCTC-JCBGGLNMSA-N 308.514 3.215 0 40 DGAB CCS[C@H]1CC[C@H](N(C)Cc2ccc(C(=O)NC)cc2)C1 76071029 YGJOXARZKXWZHF-HOTGVXAUSA-N 306.475 3.152 0 40 DGAB CC(C)CN1CCCC[C@H]1c1cccnc1N1CCOCC1 72216245 PVTQZNJHLHMHTN-KRWDZBQOSA-N 303.450 3.101 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCc2ccc(C)cc2)c1 71768905 NAZPHTVRZYCEGI-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCCc1cccnc1 79043368 GFFWHNSKYYWSRK-LLVKDONJSA-N 322.767 3.000 0 40 DGAB CC1(C)COCCN1C(=O)c1cccc(Oc2ccncc2)c1 79034364 QHXXARGLWGVXBI-UHFFFAOYSA-N 312.369 3.125 0 40 DGAB CC[C@@](O)([C@@H]1CCCN(C(=O)OC(C)(C)C)C1)C(F)(F)F 72208769 GYUAVEAGNWTQAY-ZWNOBZJWSA-N 311.344 3.337 0 40 DGAB CCCN(CC)C(=O)c1ccc(OC)cc1Br 522242519 WMPDEDDUIJYSTF-UHFFFAOYSA-N 300.196 3.330 0 40 DGAB Nc1cc(Nc2ccc(C(=O)O)cc2)nc(-c2ccc(F)cc2)n1 49468015 HPJRHGPYAHUZGN-UHFFFAOYSA-N 324.315 3.307 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)c(N)c2)cc1 226268092 KTHFZKBJNNOKOC-UHFFFAOYSA-N 311.385 3.130 0 40 DGAB Cc1nn(C(C)C)cc1C(=O)N1CC[C@H](Cc2ccccc2)C1 573980256 ZWEYMGPWTSOSHB-QGZVFWFLSA-N 311.429 3.477 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 96421850 HJLYSYDFJKPDNY-MAZHCROVSA-N 318.417 3.409 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Cc2ccc(Cl)nn2)CC1 146612381 PUBAFGPZGVHDAG-UHFFFAOYSA-N 311.813 3.320 0 40 DGAB COc1cccc2c1NCC21CCN(C(=O)OC(C)(C)C)CC1 96306805 SLWAACSEQWIFIR-UHFFFAOYSA-N 318.417 3.389 0 40 DGAB CC(C)(CNC(=O)CCc1ccncc1)c1cccc(F)c1 96411258 BIJRVUNEAGSVQF-UHFFFAOYSA-N 300.377 3.247 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C(N)=S 90586742 BHPWNHCGNFMQBR-CHWSQXEVSA-N 306.431 3.066 0 40 DGAB CC(C)C[C@H](N[C@H]1CCN(CC(F)(F)F)C1)c1ccccn1 96476804 INFSKTHEUGYCAY-ZFWWWQNUSA-N 315.383 3.395 0 40 DGAB O=[S@](c1ccc(Br)nc1Cl)C(F)(F)F 242592238 ONOQENFFDRPKQZ-CQSZACIVSA-N 308.506 3.125 0 40 DGAB CN1CC[C@H](NC(=O)c2ccsc2)[C@H]1c1ccc(F)c(F)c1 245289917 GANGUXKHYQXJEF-LSDHHAIUSA-N 322.380 3.202 0 40 DGAB C[C@H](C1CC1)N(C(=O)c1cnc(Br)s1)C1CC1 585125781 FLFNNCOFCLCNQR-SSDOTTSWSA-N 315.236 3.309 0 40 DGAB C[C@H](C(=O)NC[C@H]1[C@H]2c3ccccc3CC[C@H]21)C1CCOCC1 253370371 PZOKKCOIZUAGEK-YFYLHZKVSA-N 313.441 3.141 0 40 DGAB CCCc1cc(C(=O)N2CCCC[C@H]2c2[nH]ncc2C)no1 257226359 FKINJOAGNLFDFC-AWEZNQCLSA-N 302.378 3.026 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 62152195 GMFMLQKDFXFOAF-NWDGAFQWSA-N 319.323 3.046 0 40 DGAB Cc1ccc(C)c2sc(N3CC(OC(=O)C4CC4)C3)nc12 85472284 PQLIBKJGYYPWPN-UHFFFAOYSA-N 302.399 3.055 0 40 DGAB CC(=O)Nc1cc(C2CCN(C(=O)OC(C)(C)C)CC2)ccn1 669370058 YFZRYGDXSOPECV-UHFFFAOYSA-N 319.405 3.155 0 40 DGAB Fc1cccc(OCCN2CCOCC2)c1Oc1ccccc1 585265677 XNYGYSCLSVXVSG-UHFFFAOYSA-N 317.360 3.329 0 40 DGAB CCCCCC(=O)NCc1ccc(Cn2ccccc2=O)cc1 55623596 XBVPCCKGKMLMBV-UHFFFAOYSA-N 312.413 3.093 0 40 DGAB Clc1cccnc1N1C[C@@H]2CN(Cc3ccccc3)C[C@H]2C1 1776008469 HEDXHTDFGVQVBM-HOTGVXAUSA-N 313.832 3.303 0 40 DGAB O=Cc1ccc(I)c(OC(F)(F)F)c1 616575859 IARWFNPKQOCRNC-UHFFFAOYSA-N 316.016 3.002 0 40 DGAB Clc1ccc2nc(COc3ccc4c(c3)OCO4)cn2c1 5191174 FRSXUJAMIVQUAR-UHFFFAOYSA-N 302.717 3.295 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCCC3)c(C)c2)c1 11326112 DUWQFWVYBXTLGK-UHFFFAOYSA-N 311.385 3.378 0 40 DGAB Cn1nccc1C(=O)N[C@H]1CCC[C@@H](c2c[nH]c3ccccc23)C1 12671079 UWUFRSHRWBCGCM-KGLIPLIRSA-N 322.412 3.358 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(C(=O)O)cc2Cl)cc1 13084802 HJNYWQUMLHBRDT-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Fc1ccc(NC(=S)Nc2ccc3c(c2)OCCO3)cc1 13790720 QSYJCCJNYURQEN-UHFFFAOYSA-N 304.346 3.406 0 40 DGAB CSc1cccc(N2C(=O)Nc3ccccc3S2(=O)=O)c1 15827183 IAZFSLRVPCJUOC-UHFFFAOYSA-N 320.395 3.149 0 40 DGAB Cc1ccsc1CN(C)Cc1cc(=O)n2c(C)csc2n1 20803465 XSPUALIHPGOEBF-UHFFFAOYSA-N 319.455 3.066 0 40 DGAB C[C@H](Cc1ccccc1)NS(=O)(=O)/C=C/c1ccccc1 96136893 UDCFXEZVPWRZDZ-RDRICISKSA-N 301.411 3.208 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1nnc(C2CC2)s1 40105502 XIATYTRNVGPZNN-JQWIXIFHSA-N 324.450 3.132 0 40 DGAB CCc1nc2ccccc2n1C[C@H](O)COc1ccc(C)cc1 242741 PHGZKUKQSVMNNR-HNNXBMFYSA-N 310.397 3.347 0 40 DGAB CN(Cc1ccco1)C(=O)[C@H]1COc2ccc(Cl)cc2C1 51866426 CDRPRFMKCILOCZ-GFCCVEGCSA-N 305.761 3.143 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)Nc3nncs3)ccc2c1 21214477 TUJRDRLYMMYUDX-JTQLQIEISA-N 313.382 3.442 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)Cc2ccc(F)cc2F)s1 32908557 JEIGCQHPUWQNPO-UHFFFAOYSA-N 324.352 3.257 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CCCCN1C(=O)c1cccs1 32905806 ZZQCOLBGPKKCRS-AWEZNQCLSA-N 320.458 3.192 0 40 DGAB COc1ccccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 32911529 HAAGPTNTHKKSMO-QGZVFWFLSA-N 324.424 3.090 0 40 DGAB CCc1sc(NC(=O)CCC(=O)O)nc1-c1ccccc1 95513 UOEJLMSIBWFEDY-UHFFFAOYSA-N 304.371 3.176 0 40 DGAB COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 135960 DDVHRCATRXRXNH-CVEARBPZSA-N 317.385 3.168 0 40 DGAB Cc1cc2nc3s/c(=C\c4ccc(F)cc4)c(=O)n3c2cc1C 177800 JFCNVNHEBFPQFS-SXGWCWSVSA-N 324.380 3.213 0 40 DGAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3cnn(C)c3)nc21 2732447 JLHSWZIXDHHKIL-UHFFFAOYSA-N 309.295 3.179 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2nn(C)cc2Cl)cc1 2742884 GHUHHOWISCFICI-UHFFFAOYSA-N 306.797 3.172 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)o2)n1 2779146 WGAPVYIFRHPJJU-GFCCVEGCSA-N 301.390 3.013 0 40 DGAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccccc1F 3241301 XEQAKQTVZUZVOS-UHFFFAOYSA-N 307.708 3.101 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1 3659882 YGYQSPQOJHLYRK-ZBFHGGJFSA-N 314.429 3.045 0 40 DGAB Cc1ccc(Nc2nc(CSc3nnnn3C)cs2)cc1 4058083 HYBPMVMFJHCPNE-UHFFFAOYSA-N 318.431 3.011 0 40 DGAB COc1cc(OC)c(NC(=O)CC(C)(C)C)cc1NC(C)=O 5015601 VUQZZBZCHTZKSF-UHFFFAOYSA-N 308.378 3.037 0 40 DGAB Cc1csc(SCc2cc(=O)n3c(C)csc3n2)n1 5101592 NYLHGWYUVFEXHR-UHFFFAOYSA-N 309.441 3.122 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 5560046 LWHVEOJBRJVELF-UHFFFAOYSA-N 303.745 3.292 0 40 DGAB Cc1cc(S(=O)(=O)n2cc(Cl)cn2)c(C)cc1Cl 6527750 UDQLNJHDTNXWKG-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB O=[P@](NC12CC3CC(CC(C3)C1)C2)(c1ccccc1)N1CC1 6575799 MARDHLWQLBIPSS-BFDDPKRYSA-N 316.385 3.379 0 40 DGAB Cc1cc(C)cc(-n2ccnc(NCc3ccccc3)c2=O)c1 6914957 NXPKJUGOCUGDMT-UHFFFAOYSA-N 305.381 3.461 0 40 DGAB CCCc1n[nH]c(=S)n1NCc1cccc(OC)c1OCC 7601349 HVUUHDPUESNIRP-UHFFFAOYSA-N 322.434 3.044 0 40 DGAB CCOc1cc(C(=O)O)cc(Br)c1OC(C)C 7603870 CCCUQBDPFXCUAW-UHFFFAOYSA-N 303.152 3.333 0 40 DGAB O=c1cc(-c2ccccc2)nc(Nc2nc3ccccc3o2)[nH]1 8974410 XPLLYLQEKMNJSQ-UHFFFAOYSA-N 304.309 3.322 0 40 DGAB O=C(CSC1=NCCS1)Nc1cc(Cl)ccc1F 9497844 KFWBQVQVUKHMFN-UHFFFAOYSA-N 304.799 3.254 0 40 DGAB CCOc1ccccc1-c1nc(CC(=O)NC2CC2)cs1 11406303 RKIJFLRJVJBFAB-UHFFFAOYSA-N 302.399 3.030 0 40 DGAB C[C@H](Oc1ccc(-c2cc3ccccc3oc2=O)cc1)C(=O)O 11766144 OIOBQQFQVATWMH-NSHDSACASA-N 310.305 3.312 0 40 DGAB CCOc1ccccc1C(=O)NCC1(N(C)C)CCCCC1 11916211 UVHPWOGOVFNWHB-UHFFFAOYSA-N 304.434 3.080 0 40 DGAB CSc1ncc(C(=O)N[C@H](c2cccs2)C(C)C)cn1 12200595 BTTYMVCDTMIGKL-LBPRGKRZSA-N 307.444 3.387 0 40 DGAB CCc1c(C)nc2cc(-c3cc(C)on3)nn2c1N1CCCC1 12276304 SNTPGWRELSCSKP-UHFFFAOYSA-N 311.389 3.164 0 40 DGAB Cc1ccccc1CNC(=O)CN1CCc2sccc2[C@@H]1C 12912856 AOKFLIUXRCYDLC-AWEZNQCLSA-N 314.454 3.292 0 40 DGAB O=C(NCc1ccc(F)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 12998972 HWURSSPMCZCZEN-HNNXBMFYSA-N 305.736 3.099 0 40 DGAB Cc1cc(NC(=O)CNc2cc(Cl)cc(Cl)c2)no1 13000297 JAQHWDLAYQTGAZ-UHFFFAOYSA-N 300.145 3.340 0 40 DGAB O=C(O)CC1(CC(=O)Nc2ccc3cn[nH]c3c2)CCCCC1 14253210 UUCNVPKZSLRTDY-UHFFFAOYSA-N 315.373 3.317 0 40 DGAB CC(C)(C)C(=O)Nc1ccc(I)cc1F 14258265 CTKFKHBFRXOCRZ-UHFFFAOYSA-N 321.133 3.415 0 40 DGAB COc1ccc(NCC(=O)NCc2cccs2)cc1Cl 15294051 ARFIXJMTKQYMFJ-UHFFFAOYSA-N 310.806 3.138 0 40 DGAB CCn1cc(-c2cncn2CCOc2ccc(Cl)cc2)cn1 19719622 WPXZNRIORTVOIZ-UHFFFAOYSA-N 316.792 3.499 0 40 DGAB COCCc1ccc(OS(=O)(=O)c2ccc(C)cc2C)cc1 21821353 ZKGIHDXXRINLQL-UHFFFAOYSA-N 320.410 3.260 0 40 DGAB Cc1nc(C(C)(C)C)nc2sc(C(=O)NC3CC3)c(C)c12 22506611 PEJIMTTYIQABFI-UHFFFAOYSA-N 303.431 3.498 0 40 DGAB COc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1OC 23074269 PTCPCXFLMAEYNR-CQSZACIVSA-N 313.397 3.455 0 40 DGAB COc1cc(OC)c(OC)cc1CNc1nc2ccccc2o1 25249722 FIGANNDDLPXPDN-UHFFFAOYSA-N 314.341 3.466 0 40 DGAB CNc1nnc(S[C@H](C)c2nc(-c3ccco3)no2)s1 29740000 HBMAZQXHNMDZKP-ZCFIWIBFSA-N 309.376 3.076 0 40 DGAB CC(=O)Nc1cc(N[C@H](C)C(=O)N(C(C)C)C(C)C)ccc1F 30010755 CWWLDFUCNCMZHN-GFCCVEGCSA-N 323.412 3.230 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@H]2COc3ccccc3O2)c1 30995619 QRCQUTODDUJDBC-HNNXBMFYSA-N 312.369 3.265 0 40 DGAB Cn1nccc1/C=C/C(=O)Nc1nc2cc(Cl)ccc2s1 31909052 JPTIHZBJDWFMQG-HWKANZROSA-N 318.789 3.335 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(Oc3ncccn3)c2)n1 32026329 BFDSPBULQWPRCD-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB C[C@@H](CCCC(C)(C)O)N[C@H]1CCN(c2ccc(F)cc2)C1 32529738 RHZUSEZBRZQAGM-HOCLYGCPSA-N 308.441 3.324 0 40 DGAB COCCNC(=O)Cc1sc(C)nc1-c1cc(C)sc1C 32885564 RLAQNTUDQUJZMS-UHFFFAOYSA-N 324.471 3.102 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccn(-c2ccccc2)n1 32940421 IYIMSJCATXFOSV-CQSZACIVSA-N 303.365 3.464 0 40 DGAB CC(C)COCCCNC(=O)c1ccccc1Br 40419005 ZYWRNADCDDWPPH-UHFFFAOYSA-N 314.223 3.242 0 40 DGAB Cc1noc(C)c1CN(C)Cc1cn2cc(Cl)ccc2n1 42133102 REBZTFYRCDSELK-UHFFFAOYSA-N 304.781 3.225 0 40 DGAB O=C(c1ccc(F)cc1F)c1ccccc1CN1CCOCC1 43211493 GSXFJTKCYMIOJC-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB COc1ccccc1CNC(=O)N(C)Cc1ccc(F)cc1 44890952 RTPFHICHBGUXDI-UHFFFAOYSA-N 302.349 3.176 0 40 DGAB COCCCNC(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1 44894229 UJXUBQDVEHTFKM-UHFFFAOYSA-N 316.401 3.044 0 40 DGAB O=C(/C=C/c1cc(Cl)c2c(c1)OCCO2)NCc1ccoc1 45783966 XMHSJEJDECDGLJ-OWOJBTEDSA-N 319.744 3.034 0 40 DGAB COc1ccc2oc(-c3cccc(-n4cnnc4)c3C)nc2c1 45920670 LJNFJUHOKAAWOI-UHFFFAOYSA-N 306.325 3.393 0 40 DGAB O=C(NCc1cc(Br)cs1)Nc1ccccn1 47040585 ORBNWLHAYSDCFA-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB Cc1c(C(=O)N[C@H](C)CCc2ccco2)[nH]c2c1C(=O)CCC2 48236696 QRGONGQEVBJTLU-LLVKDONJSA-N 314.385 3.186 0 40 DGAB COc1ccccc1CNC(=O)[C@H](c1ccccc1)n1cccc1 49030915 JVZCKGHQVUCVJJ-IBGZPJMESA-N 320.392 3.403 0 40 DGAB COc1ccc(Br)cc1NC(=O)c1ccc(O)cc1 49570548 XLQYQXDAGPHKPT-UHFFFAOYSA-N 322.158 3.416 0 40 DGAB Cc1cccc(-n2nnc(C(=O)N(C)C(C3CC3)C3CC3)c2C)c1 50399320 IEYRIMZWLOXWAB-UHFFFAOYSA-N 324.428 3.145 0 40 DGAB Cc1sc2nc(-c3cnccn3)[nH]c(=O)c2c1-c1ccccc1 54752782 VMKLIJKTIZVMNK-UHFFFAOYSA-N 320.377 3.417 0 40 DGAB O=C(Nc1cccc(CNCc2ccco2)c1)c1ccncc1 55171687 RZGHNESEAFSCPI-UHFFFAOYSA-N 307.353 3.217 0 40 DGAB CS[C@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2n1C 56132561 IMJTUCGQUVUBLH-IUODEOHRSA-N 317.458 3.378 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)C1(c2cccs2)CCCC1 56906300 YPAPRUOYYZBVTN-ZDUSSCGKSA-N 321.467 3.471 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1cc(F)ccc1F 57472210 AMDITDPLPQVCGP-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB FC(F)(F)c1cccc(N2CCN(c3ccccc3)CC2)n1 58029500 RBJKYICPZBULJH-UHFFFAOYSA-N 307.319 3.427 0 40 DGAB COc1cc(OC)c2[nH]c(C(=O)Nc3cccc(C)n3)cc2c1 58173732 VFFNUGBHWDUOCX-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB O=c1[nH]ncc(NCC2(c3ccc(F)cc3)CCC2)c1Cl 58192091 KISSYRSKTSDYQL-UHFFFAOYSA-N 307.756 3.096 0 40 DGAB CC(C)N(Cc1cccnc1)C(=O)c1ccc(N(C)C)c(F)c1 58296024 QEHXIFZESZJXON-UHFFFAOYSA-N 315.392 3.338 0 40 DGAB O=C(c1cccc2c1OCCO2)N1CCC(c2ccccc2)CC1 60136621 PIOMOSZABOROOC-UHFFFAOYSA-N 323.392 3.478 0 40 DGAB Cc1ccc([C@H](CNC(=O)c2ccc3c(c2)COC3)N(C)C)cc1 64497313 BZHCTPNJDRTASL-IBGZPJMESA-N 324.424 3.058 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1C1CC1 70004694 AJHFXIOTAIPMGE-INIZCTEOSA-N 312.417 3.114 0 40 DGAB COc1cc(F)c(NC(=O)[C@H](OC)c2ccccc2)cc1OC 71884415 OZMOILLJNQGZRJ-MRXNPFEDSA-N 319.332 3.169 0 40 DGAB O=C(Nc1ccc(NCCc2ccccc2)cc1)[C@@H]1CCOC1 71890772 PZODMUNRWIHHSG-MRXNPFEDSA-N 310.397 3.316 0 40 DGAB Nc1ccc(OC(F)(F)[C@@H](F)[C@@H](O)C(F)(F)F)c(Cl)c1 72265914 YLIIXVNFWPELLJ-JGVFFNPUSA-N 323.620 3.155 0 40 DGAB Cn1ccnc1-c1cnc(N2CCCC2)nc1-c1cccs1 72340756 NBNVCNXCYUEIGE-UHFFFAOYSA-N 311.414 3.206 0 40 DGAB CC(C)C[C@H](CCO)CNC(=O)N[C@H]1CCc2ccccc21 73561436 CSOGKZMBSVDOSG-YOEHRIQHSA-N 304.434 3.018 0 40 DGAB CC(=O)c1cccc(NC(=O)NCc2ccc(O)c(F)c2)c1 75143705 GQHDQFUCHWCIES-UHFFFAOYSA-N 302.305 3.056 0 40 DGAB CCSc1ccccc1NC(=O)NC[C@@](C)(O)c1ccco1 76069646 GZQOCYIKGDQPKC-MRXNPFEDSA-N 320.414 3.421 0 40 DGAB O=C(NCC[C@H](O)c1cccc2ccccc12)c1ccccn1 77116285 HBMGJBOHYOODDO-SFHVURJKSA-N 306.365 3.088 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCN(CC2CC2)c2ccccc21 78951031 NJGJGFAWHPVRMN-UHFFFAOYSA-N 324.428 3.088 0 40 DGAB COC(=O)c1c(C)n(C)c2ccc(OCc3ncc(C)o3)cc12 79073269 FJCPAODITZCDCF-UHFFFAOYSA-N 314.341 3.149 0 40 DGAB COc1ccc(Cc2cc(-c3ccccc3)nnc2O)cc1OC 79485639 PTHJECOAJRWBEB-UHFFFAOYSA-N 322.364 3.457 0 40 DGAB CCOC[C@H]1CCN(C(=O)N[C@@H](C)c2cc(C)ccc2C)C1 81471324 JUGZKCPTDZUYRA-HOTGVXAUSA-N 304.434 3.432 0 40 DGAB CCOc1ccc(NC(=O)N(CCOC)Cc2ccoc2)cc1 85474496 BYQOJIFVYIZVQA-UHFFFAOYSA-N 318.373 3.359 0 40 DGAB O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CCOc2ccccc21 89872999 VBZVWTUQQKBJHQ-QGZVFWFLSA-N 320.392 3.393 0 40 DGAB CC(C)(CNC(=O)C[C@H]1CCOC1)c1c(F)cccc1Cl 95403643 ROFIVIGHUPMFJT-LLVKDONJSA-N 313.800 3.300 0 40 DGAB C[C@@H](c1cnn(C)c1)N(C)C(=O)[C@@H](C)c1ccc(Cl)s1 95464433 RNCCZOPFKOEUOA-UWVGGRQHSA-N 311.838 3.458 0 40 DGAB NC(=O)c1ccc(NCc2coc(-c3ccccc3)n2)cc1F 95974974 QYYDFXRGHVSTEA-UHFFFAOYSA-N 311.316 3.192 0 40 DGAB Cc1ccc(O)c(CN2CCC([C@@H](O)c3ccccc3)CC2)n1 95982416 OBQQZIXVGAMXNM-IBGZPJMESA-N 312.413 3.041 0 40 DGAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccc[nH]2)no1 96001233 QPPUNXXRWVZQDG-ZDUSSCGKSA-N 302.378 3.279 0 40 DGAB Cc1noc(C)c1CN1CC2(CCN(Cc3ccsc3)C2)C1 96202755 JWHOFIBPMPZFHB-UHFFFAOYSA-N 317.458 3.061 0 40 DGAB CCN(C(=O)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2)c1ccncc1 96425162 VFJQNUHYCHXGOO-CVEARBPZSA-N 324.380 3.009 0 40 DGAB C[C@@H]1C[C@@H]1[C@H](NC(=O)Nc1nnc2ccccn12)c1ccccc1 97002182 RVWCIXWSMSHDPO-IVMMDQJWSA-N 321.384 3.248 0 40 DGAB Cc1c(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cccc1C(=O)N1CCCC1 100794119 MDPJSLTVAYFBRD-YQQAZPJKSA-N 324.424 3.382 0 40 DGAB COc1ccc([C@H]2Nc3nonc3N=C3CCCC(O)=C32)cc1 102739265 YPPBJUPGHSTQPW-CQSZACIVSA-N 312.329 3.314 0 40 DGAB Cc1c(NC(=O)N2CCSCC[C@@H]2C)cccc1N(C)C 190138033 ROVMGYNWLUIIAP-LBPRGKRZSA-N 307.463 3.420 0 40 DGAB COCc1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 224601759 DKQVFKYTMAOJBN-CYBMUJFWSA-N 315.369 3.248 0 40 DGAB CC[C@H]1CCCCN1c1nn(-c2ccccc2C)nc1C(=O)O 256048967 XKWGNRMHJFHSQH-ZDUSSCGKSA-N 314.389 3.043 0 40 DGAB COc1cccc(F)c1CN1CC[C@@H](c2nc(C)cc(C)n2)C1 257242516 ICWXSMLTVGHYPI-CQSZACIVSA-N 315.392 3.231 0 40 DGAB COc1cc(CN2CCC[C@H]2c2nc(C)c[nH]2)cc(OC)c1 257316415 VFMLGHCQAMKHCT-INIZCTEOSA-N 301.390 3.072 0 40 DGAB CC[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)CC1 262210331 LLSFDDAYCLFQJP-FVQBIDKESA-N 303.402 3.015 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1nnc(C(C)(C)C)s1 532883560 HJYJJNCKWBQCOV-UHFFFAOYSA-N 319.430 3.243 0 40 DGAB Cc1cnc(COCC(=O)N2CCC[C@@H]2c2ccccc2C)o1 566336948 MELMFZDUBUIQFS-MRXNPFEDSA-N 314.385 3.172 0 40 DGAB C/C(=C\C(=O)N(CCC(=O)O)Cc1cccc(F)c1F)C1CC1 584908396 DTXZPDDTDPMYOM-PKNBQFBNSA-N 323.339 3.124 0 40 DGAB Cc1cc(C(=O)NC[C@@H](N)c2ccc(C(C)C)cc2)ns1 1579564060 SMRBDBGVSCELCJ-CQSZACIVSA-N 303.431 3.005 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccnc(-c2cncs2)c1 1848356964 WDEMDVWTYBFYDD-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB CC(C)(C)CC(=O)N1CC[C@H](COc2ccc(C3CC3)nn2)C1 1888843141 MFTXWVNGRNGMDV-ZDUSSCGKSA-N 317.433 3.018 0 40 DGAB CNC(=S)N(Cc1ccc(Cl)cc1)Cc1cccnc1 77004 PAIVWVULROWTFI-UHFFFAOYSA-N 305.834 3.242 0 40 DGAB COc1cccc([C@H]2C[C@@](C)(O)Oc3cc4c(cc32)OCO4)c1 1607716 OBEWQTCNLDQARO-KDOFPFPSSA-N 314.337 3.047 0 40 DGAB CCc1nc(CCNC(=O)N2C[C@@H]3CC=CC[C@H]3C2)sc1C 78940986 WSNXZEBCWGGTRW-KBPBESRZSA-N 319.474 3.164 0 40 DGAB COc1ccc(OC)c2sc(NC(=O)c3ccco3)nc12 2723955 WHBWAPLSCDTZPM-UHFFFAOYSA-N 304.327 3.159 0 40 DGAB CCn1cc(NC(=O)c2ccc(SC(F)F)cc2)ccc1=O 47181901 SSAIIWCYKMGCLL-UHFFFAOYSA-N 324.352 3.435 0 40 DGAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc(C(N)=S)cc1 47269192 JKHTVSSCUPLPPS-UHFFFAOYSA-N 318.829 3.246 0 40 DGAB CC(=O)O[C@@H]1CC[C@H]2[C@H]3CC[C@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@@]21C 8622592 SCKVBFYHMGNGQY-AULAEIDCSA-N 320.429 3.476 0 40 DGAB C[C@H](c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 23654119 KXHCJHSDBOVGOC-CQSZACIVSA-N 300.377 3.415 0 40 DGAB Cc1cccc(OCCC(=O)Nc2ccc3c(c2)OCO3)c1C 24475310 OVMPOYAXOISYGM-UHFFFAOYSA-N 313.353 3.440 0 40 DGAB CCCCCOc1ccc(NC(=O)C(=O)NCCCC)cc1 9232715 KEUZYYXSFPWHQV-UHFFFAOYSA-N 306.406 3.110 0 40 DGAB C/C=C1/CN2CC[C@]34c5ccccc5N5C(=O)CC[C@@H]([C@H]53)[C@H]1C[C@H]24 104106737 GLXCOWMFBYYQSW-SYNXJLQBSA-N 320.436 3.104 0 40 DGAB O=C(NCc1cn2ccccc2n1)Nc1cccc(Cl)c1 12546531 RRXABQNFGATVKI-UHFFFAOYSA-N 300.749 3.309 0 40 DGAB CC[C@@H]1CCCCN1CCNC(=O)N(C)[C@H](C)c1ccccn1 106853083 GMUXCGUQLIDVPV-HZPDHXFCSA-N 318.465 3.049 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc(F)cc(F)c1)c1ccsc1 25329096 DDRVPWIOGWOJLM-CQSZACIVSA-N 310.369 3.059 0 40 DGAB Cc1ccccc1CN1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@H]21 107249649 NBHPFSUAVZIGRN-PKOBYXMFSA-N 321.424 3.343 0 40 DGAB C[C@]1(c2cccs2)NC(=O)N(Cc2cccc(Cl)c2)C1=O 53863094 OCCHGVALUSZYOY-OAHLLOKOSA-N 320.801 3.369 0 40 DGAB CCOc1ccccc1C(=O)Nc1nc(SCC)ns1 28049350 LXQOQPNLWVOCCA-UHFFFAOYSA-N 309.416 3.301 0 40 DGAB C[C@@H](Nc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 44493768 DZAWJZWXFLPVCU-CYBMUJFWSA-N 304.415 3.110 0 40 DGAB CNc1snc(C)c1C(=O)N[C@H](C)c1ccc(F)c(F)c1 27590470 QEQFOUSBTYHHMT-SSDOTTSWSA-N 311.357 3.262 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2ccccc2)cc1C 27664362 WKCOERLGYWYWJF-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB COc1ccc([C@H](Cc2ccccc2C)NC(C)=O)cc1OC 58278048 CBUZCKIXTMJRQT-KRWDZBQOSA-N 313.397 3.432 0 40 DGAB Cc1ccc2cc(C(=O)N(Cc3cnn(C)c3)C(C)C)[nH]c2c1 58215246 HASAFSAJTKDCAW-UHFFFAOYSA-N 310.401 3.261 0 40 DGAB COc1c(CNCc2cc3ccccc3s2)c(C)nn1C 58296314 FJXWOIAUZKMLGI-UHFFFAOYSA-N 301.415 3.242 0 40 DGAB CN(CCOc1ccccc1)C(=S)NCCc1ccccc1 3328445 RNMFDOGHSWDMOY-UHFFFAOYSA-N 314.454 3.114 0 40 DGAB CC(C)Cn1ccnc1NC(=O)c1ccc(-c2cnco2)cc1 58423259 WFJNGOGNSIPRML-UHFFFAOYSA-N 310.357 3.446 0 40 DGAB CC(C)OCc1ccc(CNC(=O)COc2ccccc2)cc1 48345459 PHKLKRHSPUCFLU-UHFFFAOYSA-N 313.397 3.307 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)C[C@@H](C)c2ccccc2)n1 48325969 ABUNLQQNSGKCIE-HUUCEWRRSA-N 313.445 3.446 0 40 DGAB Cc1cc(NC(=O)Nc2ccc(OC[C@H]3CCCO3)cc2)no1 48354285 TWFVUOQDTGSMEW-CQSZACIVSA-N 317.345 3.185 0 40 DGAB Cc1ccccc1NCC(=O)Nc1ccc(N2CCCC2=O)cc1 11549217 OZRWMALDZJOWPO-UHFFFAOYSA-N 323.396 3.172 0 40 DGAB CC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 29482306 AFWSMSIMHVTUPN-LJQANCHMSA-N 322.408 3.447 0 40 DGAB CNc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1 29739999 HBMAZQXHNMDZKP-LURJTMIESA-N 309.376 3.076 0 40 DGAB CN(Cc1ccc(F)cc1Cl)S(=O)(=O)c1cccs1 3417248 CWMZMDOOYDVWFL-UHFFFAOYSA-N 319.810 3.361 0 40 DGAB O=C1CCc2cc(C(=O)Nc3ccc(Cl)cc3)ccc2N1 12995468 CWXKGMMBWWJBFS-UHFFFAOYSA-N 300.745 3.477 0 40 DGAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccccc1 408714845 XQDQSRUMWBUDCF-OUKQBFOZSA-N 319.364 3.408 0 40 DGAB CC(C)(C)n1cc([C@H]2NC(=O)c3cc(Cl)ccc3N2)cn1 63498166 LKOWPPDCJFTIKP-CYBMUJFWSA-N 304.781 3.146 0 40 DGAB COc1ccc2nc(SCC(=O)N3CCCCCC3)[nH]c2c1 4274232 BJXIFRLLGHUWEE-UHFFFAOYSA-N 319.430 3.066 0 40 DGAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccc(F)cc1 4468871 BPOCPWBCRSXKJE-LJQANCHMSA-N 324.355 3.109 0 40 DGAB CC[C@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)CCO1 65591787 XWGWCLJGSFWMES-ZDUSSCGKSA-N 320.389 3.200 0 40 DGAB Cc1nn(Cc2ccccc2)c2sc(C(=O)N3CCC3)cc12 14111989 ZVXMNVRVTABRAV-UHFFFAOYSA-N 311.410 3.300 0 40 DGAB COc1cccc(-c2cnc(NCc3cccc(O)c3)n2C)c1 4678657 BNFXMYLSMWAQPV-UHFFFAOYSA-N 309.369 3.413 0 40 DGAB COc1cc(C)c(NC(=O)Cc2ccc(F)cc2)cc1OC 5616865 ANSVHEVBNYCANP-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB O=C(CNc1ccccc1OC(F)(F)F)NCc1ccccc1 8710821 JSXGQNSKFIHYFH-UHFFFAOYSA-N 324.302 3.314 0 40 DGAB CC(C)c1noc([C@@H](C)NC(=O)c2cc3ccccc3n2C)n1 67458968 WHEHTCKSMYWNCN-LLVKDONJSA-N 312.373 3.176 0 40 DGAB COc1ccc(NC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 110043682 AIRUPEWBQDTEPK-UHFFFAOYSA-N 318.760 3.234 0 40 DGAB C[C@@H]1CCc2ccccc2N1C(=O)Cc1cn2ccsc2n1 8278607 PLIBMIMAQROFEE-GFCCVEGCSA-N 311.410 3.306 0 40 DGAB COc1ncccc1NC(=O)Cc1csc(C(C)(C)C)n1 69367310 BTTDZXIAOAWFMK-UHFFFAOYSA-N 305.403 3.025 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2nnc3ccccn23)C(C)C)cc1 69350775 FTVMQTQARUPTLZ-MRXNPFEDSA-N 308.385 3.165 0 40 DGAB Cc1ccc(-n2nc(C)cc2NC(=O)CCCn2cccn2)cc1 69458433 XPWYWPFOVOBMQP-UHFFFAOYSA-N 323.400 3.105 0 40 DGAB O=C(Nc1ncccc1O)c1cc(F)c(Cl)cc1Cl 9315769 DVHBGQLWRDVUHC-UHFFFAOYSA-N 301.104 3.485 0 40 DGAB O=C(N1CC[C@]2(CCOC2)C1)C1(c2ccc(F)cc2F)CCC1 96494807 ULSHAHSHPONPIG-KRWDZBQOSA-N 321.367 3.026 0 40 DGAB CC(=O)Nc1ccc(CCN[C@H]2CCc3ccccc3C2)cc1 95421786 AWVIEILKPHFFJV-FQEVSTJZSA-N 308.425 3.335 0 40 DGAB CCC1(NC(=O)CCC(=O)c2cc(C)ccc2C)CCOCC1 95446930 RWZCJSMGYADNBG-UHFFFAOYSA-N 317.429 3.342 0 40 DGAB C[C@H](NC(=O)Nc1nc2c(s1)COCC2)c1ccccc1 89905677 AWHMMQYPCHLFFK-JTQLQIEISA-N 303.387 3.099 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc2cc(C)ccc2o1 89948837 PRUTUQJHIAXEIC-QAPCUYQASA-N 314.429 3.478 0 40 DGAB Cc1nc(C(=O)Nc2ccc(NC(=O)NC(C)C)cc2)cs1 66311155 HASPQCPFQWJZLC-UHFFFAOYSA-N 318.402 3.234 0 40 DGAB COc1cccc(NC(=O)N2CCOC[C@@H]2CC2CCC2)c1 556530025 DQEOHUCLGWLPBP-HNNXBMFYSA-N 304.390 3.118 0 40 DGAB CCC(=O)N1CCCCC[C@@H](Nc2ccnc(C(C)(C)C)n2)C1 1049815293 RXSCRBLBNFGMGB-CQSZACIVSA-N 318.465 3.367 0 40 DGAB CC(C)OCc1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1 72264798 OSPGMVISHRVBRV-AWEZNQCLSA-N 311.447 3.175 0 40 DGAB O=C(O)/C=C/c1ccc(NC(=S)NC2CCCCC2)cc1 216929018 NHHLHVRBTPMIOK-DHZHZOJOSA-N 304.415 3.404 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2Cl)cc1 72228027 UURKZQICIKUXMP-HOTGVXAUSA-N 300.789 3.318 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@H]2CCCC[C@H]21 41194948 OPUINCBKNLBWQK-KGLIPLIRSA-N 313.319 3.489 0 40 DGAB Cc1c(F)cccc1NC(=O)Nc1cnc(N2CCCC2)nc1 224262303 UGOJSUKGVGLUKT-UHFFFAOYSA-N 315.352 3.168 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)Cc2ccccc2Cl)C1 46961513 RPDAYYMXQPAVOI-AWEZNQCLSA-N 308.853 3.121 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1ccc([S@](C)=O)c(F)c1 190017082 KSPBCGCTTMYCGA-QFIPXVFZSA-N 322.361 3.221 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CC 225192889 OLJRTSIZPDGKGR-INIZCTEOSA-N 304.434 3.038 0 40 DGAB COc1ccc(C(=O)c2c[nH]c3ccc(OC)cc23)c(OC)c1 228928288 OSBICJXWCGJYIP-UHFFFAOYSA-N 311.337 3.425 0 40 DGAB CCOC(=N)c1cc(Br)c(N)c(Br)c1 228916610 WASXLCZUUQIXNA-UHFFFAOYSA-N 322.000 3.156 0 40 DGAB C[C@@H](C[C@@H](O)c1ccco1)Nc1cncc(Br)c1 95449442 JIDJZEMINYGKRB-JOYOIKCWSA-N 311.179 3.361 0 40 DGAB CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C 96492741 IYBDTAGGJRWYEV-UONOGXRCSA-N 323.437 3.342 0 40 DGAB CN(Cc1ccccc1)c1ccccc1NCc1cnnn1C 96486296 RDZRYGAFORRMAF-UHFFFAOYSA-N 307.401 3.064 0 40 DGAB Cn1cc(C(=O)N(Cc2cccs2)Cc2cccs2)cn1 24466440 HGKHTBFSDKVVGY-UHFFFAOYSA-N 317.439 3.386 0 40 DGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)C1CCC(F)(F)CC1 96492988 PATHXUMQYCFDEC-CYBMUJFWSA-N 317.376 3.004 0 40 DGAB CCOc1ccc(NC(=O)c2csc(C(C)C)n2)cc1CO 96485993 FKKUFFZERPPWAX-UHFFFAOYSA-N 320.414 3.410 0 40 DGAB O=C(OC1CCN(c2nncc3ccccc23)CC1)c1ccco1 96447614 BYHUAZHNNONBDR-UHFFFAOYSA-N 323.352 3.049 0 40 DGAB C[S@@](=O)C[C@H](NC(=O)C1CCCCCC1)c1ccccc1 96445535 KVMZFWDVBRSLQE-KKSFZXQISA-N 307.459 3.193 0 40 DGAB CC(C)[C@H](C(=O)NCCc1cc(F)cc(F)c1)c1cccnc1 390835652 UDHSUIDTOBTBOC-KRWDZBQOSA-N 318.367 3.458 0 40 DGAB Cn1cnnc1SCc1cc(F)ccc1Br 69921424 PIDXTENJDNIWIG-UHFFFAOYSA-N 302.172 3.009 0 40 DGAB CC[C@@](C)(O)CN(Cc1ccccc1)C(=O)c1ccc(C)nc1 189476452 QIZWHVNETJCZCG-LJQANCHMSA-N 312.413 3.193 0 40 DGAB CN(C)CCn1ccc(C(=O)Nc2cccc(-c3nc(O)n[nH]3)c2)n1 97372526 LXLBBNQUGXTOTE-CYBMUJFWSA-N 341.375 1.188 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)[C@H]1COc2ccccc2O1 5688133 YQJPRGRYOMZQAF-CQSZACIVSA-N 307.708 3.258 0 40 DGAB C[C@@H](OC(=O)c1ccc(-n2cncn2)cc1)c1ccc(F)cc1 12757132 QXFZTSRJYUTRGF-GFCCVEGCSA-N 311.316 3.324 0 40 DGAB COCCNC(=O)c1ccccc1OCc1ccc(Cl)cc1 13000304 RJMCHRQEHXLSMX-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB COC(=O)/C(Br)=C(\Br)c1ccccc1 17316735 ZNNXBYIAVNEENJ-CMDGGOBGSA-N 319.980 3.318 0 40 DGAB O=C(N[C@H](Cc1cccs1)c1nccs1)c1cccnc1 19337857 JOLKNELLJPEYHB-CYBMUJFWSA-N 315.423 3.313 0 40 DGAB COc1ccc(Cl)c(NC(=O)c2cc(N)ccc2N(C)C)c1 226324838 KUFPELLVFWYQDF-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1ncc(-c2ccccc2)o1 5937644 AXSBWTRQUSJYRH-UHFFFAOYSA-N 304.305 3.138 0 40 DGAB c1cnc(OCC2CCN(c3ccc4ccccc4n3)CC2)nc1 1888906411 LJSXVUNPOBKHPW-UHFFFAOYSA-N 320.396 3.320 0 40 DGAB O=C(NC[C@@]1(O)CCCc2sccc21)c1ccccc1Cl 1889122650 VHHAJRIUNSDLFH-INIZCTEOSA-N 321.829 3.355 0 40 DGAB O=C(NCC1CCN(Cc2cccs2)CC1)c1ccsc1 38584367 HGJRLRFVEJKJOS-UHFFFAOYSA-N 320.483 3.452 0 40 DGAB O=C(Nc1ccccc1NC(=O)c1ccno1)c1ccsc1 38678733 MQEKKEQNVPDOIB-UHFFFAOYSA-N 313.338 3.241 0 40 DGAB CCOCCCNC(=O)NCc1ccc2cc(OC)ccc2c1 10465637 PZVKCUMICYJDKB-UHFFFAOYSA-N 316.401 3.074 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)Nn1cnc2ccccc21 30524473 DVKJUNBIBMQUFI-UHFFFAOYSA-N 324.365 3.445 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 44752 ZMXNZYWCRIBJHX-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB Cc1ccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@@H](c3ccco3)C2)cc1 385988 OUPZKVPAJKDOHG-AEFFLSMTSA-N 324.380 3.445 0 40 DGAB CC(=O)C(Sc1ncnc2sc3c(c12)CCCC3)C(C)=O 125790 ADBTYBLDBHWAAR-UHFFFAOYSA-N 320.439 3.209 0 40 DGAB NS(=O)(=O)c1ccc(Sc2ccc(Cl)cc2)s1 126041 ZXYFCDGJGFCATN-UHFFFAOYSA-N 305.833 3.200 0 40 DGAB CC1(C)CC(=O)c2c(O)cc(=O)n(-c3cccc(Cl)c3)c2C1 344241 VEKYARKTHZYQAW-UHFFFAOYSA-N 317.772 3.352 0 40 DGAB C[C@H]1CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C[C@H](C)O1 529335 VEDWFODMAFVAQP-UWVGGRQHSA-N 316.792 3.378 0 40 DGAB Cc1ccc2c(C(=O)CN3CCCC[C@H]3CCO)c(C)[nH]c2c1 535170 CEMMMGABLNSKLL-HNNXBMFYSA-N 314.429 3.204 0 40 DGAB O=C(O)C1(c2ccc(I)cc2)CCCC1 1505216 SLQJYMQCVGGGCO-UHFFFAOYSA-N 316.138 3.188 0 40 DGAB CCN(CC)C(=O)C1CCN(Cc2c[nH]c3ccccc23)CC1 1664922 AOELDYCMISDYBB-UHFFFAOYSA-N 313.445 3.248 0 40 DGAB CCOC(=O)[C@@H](C)Sc1ncnc2c1oc1ccccc12 2498427 FEZXHLWOFFXJHW-SECBINFHSA-N 302.355 3.420 0 40 DGAB CC(=O)Nc1ccc(-n2c(=S)[nH]c3ccccc3c2=O)cc1 2787832 SOWRYNNMRUGDHY-UHFFFAOYSA-N 311.366 3.007 0 40 DGAB Cc1ccc2c(COC(=O)c3ccccn3)cc(=O)oc2c1C 3433127 AUCMZOFBDNJNPD-UHFFFAOYSA-N 309.321 3.162 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2nccs2)c1 3524117 RSMRBZNUOOELBS-UHFFFAOYSA-N 313.176 3.167 0 40 DGAB CCCCC1=NN(C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 4104579 HOHBDZSAXQWNPP-AWEZNQCLSA-N 314.307 3.330 0 40 DGAB CCc1cccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)c1 4520364 LCMCFIMDFHOMQO-CJNGLKHVSA-N 317.433 3.208 0 40 DGAB CCOCCOCCO[C@H](C)Oc1ccc(CCC(C)=O)cc1 4792285 KAZZECBCUJFCOU-INIZCTEOSA-N 324.417 3.003 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Oc1ccccc1 5604003 DWDQNDZDHDSIBF-INIZCTEOSA-N 310.353 3.289 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2ccc(Br)cc2)n1 5625380 RCAFLEBWUSZXCG-UHFFFAOYSA-N 308.179 3.229 0 40 DGAB COc1ccc(N2C[C@H](c3nc4ccc(C)cc4[nH]3)CC2=O)cc1 5818432 CIDLANNEWKSGLF-CYBMUJFWSA-N 321.380 3.400 0 40 DGAB O=C(N[C@@H]1CCSc2ccccc21)c1cn2ccccc2n1 6653806 OXNSRICDKRSYIA-CYBMUJFWSA-N 309.394 3.301 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)O)[C@@H]2C(=O)NCc1cccs1 6726505 OBPHHSJTTNHASM-OSRDXIQISA-N 319.426 3.058 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)N1CCC(c2ccccc2)=N1 7114868 AIAAOFCCCCXQAP-OAHLLOKOSA-N 319.408 3.074 0 40 DGAB CC(=O)c1ccc(O[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 8287630 IBQPEAHYQBXWIL-GOSISDBHSA-N 309.365 3.288 0 40 DGAB COc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 8474777 CHIHRHZQIVUXJS-UHFFFAOYSA-N 312.398 3.360 0 40 DGAB CC[C@@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCC3 9691862 QEYFYJYQAMOVAW-LLVKDONJSA-N 317.458 3.238 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(N)n1 9725644 AONLUNOIWFKRKK-UWVGGRQHSA-N 319.434 3.020 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1F 9885562 PDOSCIZIUNIAAQ-UHFFFAOYSA-N 312.344 3.288 0 40 DGAB COC(=O)c1ccccc1NC(=O)CCc1ccccc1OC 12852004 DHUNNXFVBJHJAV-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)[C@@H]3Cc4ccccc4O3)sc2C1 13011032 DJSMJQIFBNXWRR-YGRLFVJLSA-N 314.410 3.210 0 40 DGAB O=C1C[C@H](c2ccc(O)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085114 OSWWAHOHWFMOIU-CQSZACIVSA-N 320.352 3.333 0 40 DGAB COc1ccccc1OCCNC(=O)/C=C/c1ccc(F)cc1 15381286 PGOFFLDXLXJWAK-DHZHZOJOSA-N 315.344 3.043 0 40 DGAB C=Cc1ccc(Cn2cnc3cc(OC)c(OC)cc3c2=O)cc1 20761673 CUTRETVXGRIDBI-UHFFFAOYSA-N 322.364 3.105 0 40 DGAB biogenic Nc1ccccc1NC(=O)COc1ccc(Br)cc1 22213797 PSSHZKUSKWESHG-UHFFFAOYSA-N 321.174 3.049 0 40 DGAB CCCc1ccc(NC(=O)c2ccc3c(c2)OCC(=O)N3)cc1 22654310 XAJJVMHLLWHTFG-UHFFFAOYSA-N 310.353 3.222 0 40 DGAB Cc1ccc(NC(=O)c2ccc3c(c2)nc2n3CCN(C)C2)cc1 23411601 ZLPNYEXVSFYQPY-UHFFFAOYSA-N 320.396 3.042 0 40 DGAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccc(F)cc2)c1 23733494 HAQSNAIWOQPMRC-CQSZACIVSA-N 317.360 3.097 0 40 DGAB O=C(NCc1ccccc1)NC[C@@H]1CCN(c2ccccc2)C1 24691042 ODMLCOWZRCILAO-KRWDZBQOSA-N 309.413 3.012 0 40 DGAB CCc1ccccc1NC(=O)COc1ccc2c(c1)CCC(=O)N2 25471468 CBIVCCAFZIEJCM-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB CC[C@H](C(=O)NCc1ccc(-n2ccnc2)nc1)c1ccccc1 29217692 PVCISAHLPFLJNX-KRWDZBQOSA-N 320.396 3.077 0 40 DGAB CCOC(=O)/C=C1/C(=O)N(Cc2ccccc2)c2ccccc21 31669896 KHQUBSSRZHHZFH-FOWTUZBSSA-N 307.349 3.180 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccco1)c1ccc(C)cc1 32748182 CLHJXDYFYTXXBU-XJKSGUPXSA-N 314.385 3.033 0 40 DGAB Nc1ccc(NC(=O)COc2ccccc2)c(Br)c1 37274495 HDVPVXLSXUTXRZ-UHFFFAOYSA-N 321.174 3.049 0 40 DGAB Cc1cccc(NC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 40007571 ZFSOLCOWABEPIQ-LLVKDONJSA-N 311.341 3.358 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1CCCc2ccccc21 40069877 QFWVUEVIDMCHJU-QGZVFWFLSA-N 318.380 3.326 0 40 DGAB CCc1ccc([C@H](C)NCc2cc(=O)n3cccc(C)c3n2)cc1 40460978 NJRDAEMJRXJIIU-HNNXBMFYSA-N 321.424 3.416 0 40 DGAB CCCN(CCC)C(=O)Nc1cccc(N2CCOC2=O)c1 40527053 FNQCEYJVIJNDMB-UHFFFAOYSA-N 305.378 3.297 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N2CCc3ccccc3C2)c1 41292800 SRLMBOOQZPJABS-AWEZNQCLSA-N 311.381 3.047 0 40 DGAB O=S(=O)(Nc1cccc(F)c1)c1ccc(F)cc1Cl 44253256 VFJZJIGRMSLMLV-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1ccsc1C(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2 45979432 CHEOYYPWQCEDHC-LLVKDONJSA-N 314.410 3.432 0 40 DGAB CN(Cc1ccsc1)C(=O)Nc1cccnc1N1CCCC1 48172291 GOXYDJPUNMOHFL-UHFFFAOYSA-N 316.430 3.407 0 40 DGAB COc1cccc(CCNC(=O)c2ccc(Br)o2)c1 48298792 KMKWBHIJHPXOHM-UHFFFAOYSA-N 324.174 3.023 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1csc(-c2ccco2)n1 52963547 CINZBLAEFICSQK-UHFFFAOYSA-N 314.366 3.381 0 40 DGAB CC(=O)c1cc(C(=O)Nc2ccccc2N2CCCC2)n(C)c1 52991046 CXHPTWZSQNIWRE-UHFFFAOYSA-N 311.385 3.080 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)Cc1ccc(F)cc1 55693271 AHAKKKPJVIQHBU-CQSZACIVSA-N 301.361 3.260 0 40 DGAB COc1ccccc1CN(Cc1cccnc1)C[C@H]1CCCO1 57811334 DHOOCONXZPWIQD-GOSISDBHSA-N 312.413 3.271 0 40 DGAB CN(C)C(=O)c1cccc(CSc2ncc3ccccn23)c1 58209160 ACPBKEDQTJEQSS-UHFFFAOYSA-N 311.410 3.328 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)N1CC[C@H]1c1ccccc1 58297379 FTYRBYBYHLWSSG-INIZCTEOSA-N 319.368 3.246 0 40 DGAB CCN(C(=O)c1ccncc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 60127900 KOEHSYLEWCJSAR-LPHOPBHVSA-N 323.440 3.379 0 40 DGAB CCc1ccc(C(=O)Nc2cc(F)c(F)cc2NC(C)=O)o1 60351876 UTRSWHAXFNKZFI-UHFFFAOYSA-N 308.284 3.331 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccc(F)cc1Cl 65224834 PCFHGGWUDRSDBJ-UHFFFAOYSA-N 320.755 3.122 0 40 DGAB COc1ccc(CSc2nc3ccsc3c(=O)n2C)cc1 67259719 QLBFSLRGESFMKT-UHFFFAOYSA-N 318.423 3.296 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@H](O)C1CCCCC1 69495730 WPTZPOVJIVCSLB-AWEZNQCLSA-N 311.809 3.020 0 40 DGAB C[C@@H](c1ccccc1F)N(C(=O)CCn1cccn1)C1CC1 69531066 USPZYHMNSXYVGZ-ZDUSSCGKSA-N 301.365 3.165 0 40 DGAB Cc1nn(C)c(NC(=O)C2=Cc3cc(Cl)ccc3OC2)c1C 69653996 MSQBBZVWALHAAF-UHFFFAOYSA-N 317.776 3.105 0 40 DGAB CCc1nnc([C@@H](C)N(C)CCOc2ccc(Cl)cc2)o1 70011827 RLQXSKDPCXCXNF-LLVKDONJSA-N 309.797 3.357 0 40 DGAB COc1ccnc(C(=O)N2CCCC[C@@H]2c2nc(C)cs2)c1 72286458 YCXHCAUARIZREO-CQSZACIVSA-N 317.414 3.223 0 40 DGAB CC(C)CN(C[C@@H](O)c1ccccc1)C(=O)Nc1nccs1 72305802 ZUZWGVJSWZKILQ-CQSZACIVSA-N 319.430 3.367 0 40 DGAB Cc1ccc([C@H]2CN(C(=O)c3ccc(Cl)cc3)CCO2)nc1 72384951 WJKBUKVGFCEPBS-MRXNPFEDSA-N 316.788 3.257 0 40 DGAB Cc1ccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)nc1 72403497 QEAJOIJOTWXQGA-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)c2ccsc2)cc1OC 74610698 GVRDYHLHOJQETN-VIFPVBQESA-N 309.362 3.395 0 40 DGAB CCN(C)c1ccccc1NS(=O)(=O)Cc1cccc(F)c1 75093582 GTWRDEVOGZLBLA-UHFFFAOYSA-N 322.405 3.224 0 40 DGAB c1cncc(COc2ccccc2CNCCCn2ccnc2)c1 75733849 YVAKDNUWIJMCNS-UHFFFAOYSA-N 322.412 3.037 0 40 DGAB O=C(N[C@H](c1nccs1)C1CC1)N[C@H]1COc2ccccc21 76086517 HLWQQXVYLFVOAX-JSGCOSHPSA-N 315.398 3.027 0 40 DGAB Cc1nc(CCNC(=O)N2CC[C@@H](c3ccccc3)C2)cs1 79320569 AOADRNGBDMJZBJ-OAHLLOKOSA-N 315.442 3.193 0 40 DGAB CCn1nc(C)c(/C=C/c2ncc(/C=C/C(=O)O)s2)c1C 79943406 JTHBEGSLUQHAKY-ZCOYIIAOSA-N 303.387 3.245 0 40 DGAB CSC[C@H]1CCN(C(=O)[C@@H]2SCCc3sccc32)C1 80421631 XFYJVHUOJWDAGQ-GXFFZTMASA-N 313.513 3.290 0 40 DGAB CCC(=O)N(C)c1ccccc1C(=O)Nc1cccc2cn[nH]c12 81238130 ZOYNHBFBYJVKOF-UHFFFAOYSA-N 322.368 3.188 0 40 DGAB Cn1cc(C(=O)N(Cc2cc(F)ccc2F)C2CCCC2)cn1 83009900 UARPOFTXGFFFMI-UHFFFAOYSA-N 319.355 3.283 0 40 DGAB CCC[C@H]1CCCN(C(=O)[C@@H](NC(C)=O)C2CCCC2)CC1 84740676 DNNPNTPFXIJCKK-RDJZCZTQSA-N 308.466 3.110 0 40 DGAB CC(C)(O)[C@@H]1CCCN1c1ncnc2sc3c(c12)CCCC3 89761633 JSJAPZZPTWRADD-ZDUSSCGKSA-N 317.458 3.310 0 40 DGAB c1ccc(-n2ccc(CN3CCCC[C@@H]3c3ncc[nH]3)n2)cc1 89857615 KTPSYCDERBLMKS-QGZVFWFLSA-N 307.401 3.323 0 40 DGAB CCN(CCc1nccs1)C(=O)[C@@H]1CSc2ccccc21 89969227 MPKFXEBXILKTJM-CYBMUJFWSA-N 318.467 3.424 0 40 DGAB CCN(Cc1cccc2c1OCO2)C(=O)[C@H]1C[C@@H]1c1ccco1 95396999 QQGMPIPCJMNRNB-KBPBESRZSA-N 313.353 3.161 0 40 DGAB C(=C1CCN(c2cc(-n3ccnc3)ncn2)CC1)c1ccccc1 95408677 JEELBRLFUJKLBI-UHFFFAOYSA-N 317.396 3.346 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@H]2OCC[C@H]2C)c2cccnc2)cc1 95426773 MOABRCJVRGZOLA-MNEFBYGVSA-N 324.424 3.215 0 40 DGAB O=S(=O)(Nc1ncccc1Cl)c1cccc(Cl)c1F 95455168 CLRLKBNNTIEAKX-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB CCS(=O)(=O)CCN[C@H](C)c1cc(Cl)ccc1Cl 95967657 JXUUHVMTOCTYGS-SECBINFHSA-N 310.246 3.079 0 40 DGAB Cn1cc(NC(=O)N2C[C@@H]3CCCC[C@]32c2ccccc2)cn1 95977173 HIDZSHACGFXMLP-YJBOKZPZSA-N 310.401 3.353 0 40 DGAB Cc1nnc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)s1 96003205 MICYNXWERXPUHK-LLVKDONJSA-N 313.430 3.191 0 40 DGAB CC(=O)N1CC[C@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 96110623 VYDFWUKGVWGEOM-PMACEKPBSA-N 324.424 3.078 0 40 DGAB Cc1cnn(Cc2nnc(-c3ccccc3Br)o2)c1 96428965 HOOKTMUKCRJRSS-UHFFFAOYSA-N 319.162 3.052 0 40 DGAB O=C(O)c1ccc(NC(=O)c2cccc3cn[nH]c23)cc1Cl 96479724 RCQXDYANKZFTNT-UHFFFAOYSA-N 315.716 3.167 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N[C@H](C)c1cnn(C(C)C)c1 96486740 WJHKWQBFJDYSCD-VXGBXAGGSA-N 317.437 3.175 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)cn1 96490906 NBWQWTQOMSLRGK-HZPDHXFCSA-N 316.788 3.303 0 40 DGAB C[C@@H]1CN(Cc2cccc(C(N)=O)c2)c2cc(Cl)ccc2O1 97010554 SZSVUOJYULMQDV-LLVKDONJSA-N 316.788 3.226 0 40 DGAB COc1cc(C(=O)N2C[C@@H](C)CSc3ccccc32)on1 97108985 KXYTVYJRFHQBID-SNVBAGLBSA-N 304.371 3.072 0 40 DGAB COc1cc(C(=O)NC[C@H]2CCCN2S(C)(=O)=O)ccc1OCc1cnn(C)c1 97372892 RKHXPQCQIPLPBP-UHFFFAOYSA-N 422.507 1.162 0 40 DGAB COc1ccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2c1 97539786 KZGXMNHLQZSNPX-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NCc1cccc(O)c1)C2 103672743 XHIZGKSYWBBUHV-JOQOYGCGSA-N 302.418 3.406 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 106151985 FGSCQOIDKUMGGS-ZIAGYGMSSA-N 320.383 3.264 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)c1 124796439 NYESLHFLQXTGSB-OLMNPRSZSA-N 316.445 3.355 0 40 DGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 141243836 GJCLPVZFTOXSHD-IDMWTJEOSA-N 317.772 3.050 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)Cc1ccccc1 186261971 AOMLNLULDJZGOG-AWEZNQCLSA-N 314.433 3.097 0 40 DGAB CSc1nc2ncnc(N[C@@H](C)c3ccncc3)c2s1 193368862 YOGHNRNSIAVDPY-QMMMGPOBSA-N 303.416 3.376 0 40 DGAB CSC[C@H](CCO)N[C@@H](C)c1ccccc1Br 195540962 HUGRIPKOJPJTLL-QWRGUYRKSA-N 318.280 3.214 0 40 DGAB Cc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)cc1C 224158514 JWQISEUDHCGCCS-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB CCN(CC)C(=O)c1ccc(C)cc1I 225008299 YNWUBWPUCHTIMZ-UHFFFAOYSA-N 317.170 3.082 0 40 DGAB CC(C)(C)C(=O)N1CCC(N2CCc3sccc3C2)CC1 225688484 DROAVWPLYUTSCT-UHFFFAOYSA-N 306.475 3.143 0 40 DGAB c1ccc(CO[C@@H]2CCCC[C@H]2N2CCN[C@@H]3CCC[C@@H]32)cc1 225718051 AOIYHYXUOPSXOB-IYWMVGAKSA-N 314.473 3.341 0 40 DGAB Cc1nn(CCNC(=O)c2ccco2)c(C)c1-c1ccccc1 238844033 IATWYVAJQOUSKA-UHFFFAOYSA-N 309.369 3.190 0 40 DGAB CNc1cc([C@H]2CCCN2Cc2ccc(Cl)cn2)nc(C)n1 257203813 ARSSJACUHOLEAV-OAHLLOKOSA-N 317.824 3.212 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)cs2)ccn1 257263158 LOQPEHNVACKFEA-ZDUSSCGKSA-N 301.415 3.471 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@H]3c3ccnc(O)n3)cc2c1 257290735 QECJPQOQKJLOON-KRWDZBQOSA-N 324.384 3.009 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)n1 257314540 UXKVDFGQSAVWJN-CYBMUJFWSA-N 315.392 3.151 0 40 DGAB C[C@@]12CCC(=O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2C(=O)C[C@@]2(C)CCC[C@H]12 257346028 OWSDKGMPDGHRFF-NOPMNSTJSA-N 304.430 3.138 0 40 DGAB N[C@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 261637915 HYZZGQJOAHUDLM-RBUKOAKNSA-N 321.424 3.048 0 40 DGAB CCOc1ccc([C@@H]2C[C@H]2NC(=O)[C@@H]2OCC[C@@H]2C(C)C)cc1 509739802 KMACEMMLSQIDPC-XMTFNYHQSA-N 317.429 3.119 0 40 DGAB Cc1nnc([C@@H](C)NC(=O)c2cccc(Cl)c2Cl)o1 531590440 DSPUHVBZPQDZNW-ZCFIWIBFSA-N 300.145 3.176 0 40 DGAB CCC[C@@]1(CO)CCN(Cc2ccc(C(=O)O)c(Cl)c2)C1 573983305 SHJCAAIKDQXHOU-MRXNPFEDSA-N 311.809 3.023 0 40 DGAB CO[C@@H](CNc1ccccc1OCC(F)(F)F)[C@@H]1CCOC1 583651165 ILDGQPCAOLDJCK-RISCZKNCSA-N 319.323 3.091 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@]2(CNC(C)(C)C(F)(F)F)C1 585117020 PDWPILPVEZQOIU-YGRLFVJLSA-N 322.371 3.174 0 40 DGAB Cn1cncc1CCCOC(=O)CCSc1ccccc1 585135924 IXDKQTDHYBHYFW-UHFFFAOYSA-N 304.415 3.078 0 40 DGAB Cc1ncn(-c2ccc(Br)cc2C(F)(F)F)n1 2362803666 VKCKZTQLASQEPO-UHFFFAOYSA-N 306.085 3.357 0 40 DGAB CCOC(=O)c1cnc(SCc2ccc(Cl)cc2)nc1N 146112 PPMPGYXAMFTXBR-UHFFFAOYSA-N 323.805 3.181 0 40 DGAB Cc1cccc(Cn2nnc3sc4c(c3c2=O)CCCC4)c1 150464 LJEWJTQHGSHUCP-UHFFFAOYSA-N 311.410 3.089 0 40 DGAB COc1ccc([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)cc1 526548 RQWIEAZGOSQJEN-GOSISDBHSA-N 308.381 3.420 0 40 DGAB biogenic Cc1ccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)cc1 1356617 CQORWZAGZIEMAB-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB Cc1cc2c(c(SCc3ccccc3F)n1)C(=O)N(C)C2=O 1405578 PQDYPVHHSHAVSY-UHFFFAOYSA-N 316.357 3.047 0 40 DGAB CCOC(=O)CCCCc1ccc(C(=O)CCC(=O)O)cc1 1674955 ANWOGFBOBACIPB-UHFFFAOYSA-N 306.358 3.010 0 40 DGAB COP(=O)(OC)[C@@](C)(O)c1ccc(Br)cc1 2570508 BXRVFNKMNBZKHW-SNVBAGLBSA-N 309.096 3.100 0 40 DGAB c1ccc2c(c1)OC[C@H](c1nnc3n1-c1ccccc1SC3)O2 2638033 YNOCYKOVZIRAHX-CQSZACIVSA-N 323.377 3.386 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccccc2F)c1 3394509 RSHZBJONHIIONS-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC(C)[C@@H](C)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 3534830 CRWHLGCZAQGTHS-SECBINFHSA-N 311.838 3.469 0 40 DGAB Cc1ccc(NC(=O)c2ccc(S(C)(=O)=O)cc2)cc1Cl 3554108 PXAYJJCGMVSYGH-UHFFFAOYSA-N 323.801 3.304 0 40 DGAB COc1ccc(NC(=O)COc2ccccc2C)c(OC)c1 3606822 XYWIFUVSKDFHFS-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB Cc1ccccc1C(=O)N1CCN=C1SCc1cccnc1 4061123 YGQRYGWQIBXOAP-UHFFFAOYSA-N 311.410 3.135 0 40 DGAB CCOc1ccc2[nH]c(=O)c(CNCc3ccccc3)cc2c1 4130504 OCUGVCSWRRMHDV-UHFFFAOYSA-N 308.381 3.217 0 40 DGAB CCOC(=O)C1CCN(C(=S)Nc2cc(C)cc(C)c2)CC1 4663189 UATFDNQRDOUVJJ-UHFFFAOYSA-N 320.458 3.275 0 40 DGAB C[C@H](NC(=O)/C=C/C(=O)N[C@H](C)c1ccccc1)c1ccccc1 4726205 BWKUFQKDNTWLMO-FCXSDKNKSA-N 322.408 3.297 0 40 DGAB CC(C)(C)NC(=O)CC[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(C)(C)C 5062814 RUIKDRLQLOUVDC-HOSILWTGSA-N 320.477 3.034 0 40 DGAB C[C@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCCC1 5088190 XAYWBBZBHXBVHW-NSHDSACASA-N 303.383 3.069 0 40 DGAB COC(=O)[C@@]1(Cc2ccccc2)Cc2ccc3c(c2C1=O)CCC3 5538068 ZNFPTZOXJLITJK-NRFANRHFSA-N 320.388 3.316 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@@]2(C)C1=CCS2(=O)=O 5553614 WEPXXMKOMJGFRF-SFHVURJKSA-N 316.422 3.302 0 40 DGAB O=S(=O)(Nc1ccccc1OC(F)F)c1ccc(F)cc1 6348575 QXYDYUKFKHHKNC-UHFFFAOYSA-N 317.288 3.228 0 40 DGAB CCc1cc2c(=O)n(Cc3ccccn3)c(=S)[nH]c2s1 6564804 LTAJEXYKFHURLS-UHFFFAOYSA-N 303.412 3.126 0 40 DGAB O=C(NCCSCc1ccco1)c1ccc2ccccc2n1 6578816 SSPSCONNSWIREY-UHFFFAOYSA-N 312.394 3.491 0 40 DGAB Cc1[nH]c2ccc(C(=O)NCc3ccc4c(c3)OCO4)cc2c1C 6755803 HQEGVLJESBGIHF-UHFFFAOYSA-N 322.364 3.443 0 40 DGAB CSc1nnc(NC(=O)Cc2coc3cc(C)ccc23)s1 6809934 WISLCFAFPDOQLS-UHFFFAOYSA-N 319.411 3.496 0 40 DGAB aggregator C[C@@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCCC1 6910035 VIJZCZWWFCDMJQ-OAHLLOKOSA-N 323.392 3.307 0 40 DGAB COc1ccc(C(C)=O)cc1CSCC(=O)N[C@@H](C)C(C)C 7094769 YCWMADWQKKFSAC-LBPRGKRZSA-N 323.458 3.292 0 40 DGAB COc1ccc(C(=O)NCCSCc2cccs2)cc1 7271320 SUUCUVUBHXNTIO-UHFFFAOYSA-N 307.440 3.420 0 40 DGAB CSc1ncccc1C(=O)OCC(=O)c1ccc(C)s1 7273528 DJNPXPUMISUQCY-UHFFFAOYSA-N 307.396 3.213 0 40 DGAB OC1=Nc2ccccc2N(C(=S)NCCc2ccccc2)C1 7560618 WZFJQBARASJXGU-UHFFFAOYSA-N 311.410 3.212 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccc(N2CCCCC2)cc1 7588079 KNZSPJPWCZWUTO-UHFFFAOYSA-N 315.461 3.491 0 40 DGAB COc1ccc(CN(C)CC(=O)Nc2ccc(F)cc2)cc1F 8121038 QEJHVBOVBRSCAI-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB CCCc1nnc2sc(-c3ccc(OCC)c(OC)c3)nn12 8392334 PVQSFRFUQOFCCW-UHFFFAOYSA-N 318.402 3.213 0 40 DGAB CCCCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1 8714768 MZLWYNHTDCUBTC-UHFFFAOYSA-N 323.414 3.327 0 40 DGAB Cc1ccc([C@@H]2c3c(-c4ccccc4O)n[nH]c3C(=O)N2C)cc1 8845529 QLOBRUOURNYYHV-GOSISDBHSA-N 319.364 3.266 0 40 DGAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccccn1 9119143 IRKZKXSAZRIUFK-UHFFFAOYSA-N 306.369 3.410 0 40 DGAB CNC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 9647833 DWZHSABZTUSADP-JXMROGBWSA-N 314.772 3.352 0 40 DGAB CCCC1(CCC)NC(=O)N(Cc2ccc(OC)c(F)c2)C1=O 9884423 KEWQMLYYEYEPGX-UHFFFAOYSA-N 322.380 3.225 0 40 DGAB C[C@@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1cccnc1 12145517 QJHKGCDNDOADME-LLVKDONJSA-N 311.316 3.367 0 40 DGAB CCc1c(C(=O)NCCC[C@@H]2CCOC2)[nH]c2ccc(F)cc12 12204043 NQRIUABHEAJHAC-GFCCVEGCSA-N 318.392 3.416 0 40 DGAB CSCC[C@H](NC(=O)[C@@H]1C[C@@H]1C)c1nc2ccccc2[nH]1 12541252 RRERVISQDPCGNN-WDMOLILDSA-N 303.431 3.129 0 40 DGAB CC[C@@H]1CCCCN1C(=O)CSc1nc2ccccc2[nH]1 12603646 UNRJVGWBOMYSMZ-GFCCVEGCSA-N 303.431 3.446 0 40 DGAB Cc1cc(C)c2cc(CNC3CCCCC3)c3nnnn3c2c1 12644837 QLEQMQHDOHKXNW-UHFFFAOYSA-N 309.417 3.317 0 40 DGAB Cc1ccc(Oc2ccccc2NC(=O)CCn2cncn2)cc1 12748920 NLDDSHFJUIUUQF-UHFFFAOYSA-N 322.368 3.408 0 40 DGAB C[C@@H](C(N)=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 14142277 VSUFUAHCZZPOIB-VIFPVBQESA-N 323.849 3.003 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2nc(C(C)C)cs2)s1 14241060 OFERJTBHZGNYHU-UHFFFAOYSA-N 323.443 3.005 0 40 DGAB CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1cccc2ncccc12 19712502 VEHZMRKVMQEKKX-WOJBJXKFSA-N 323.440 3.210 0 40 DGAB COc1ccc(-n2nc3ccc(NC(C)=O)cc3n2)cc1Cl 20610770 MPKJVUBMKSDDNO-UHFFFAOYSA-N 316.748 3.041 0 40 DGAB Cc1cccc(Nc2nn(CN3CCOCC3)c(=S)s2)c1 21319606 KZKAPEJSUWPUGT-UHFFFAOYSA-N 322.459 3.016 0 40 DGAB Cc1nnc(NC(=O)c2csc(-c3ccsc3)n2)s1 21589118 CGJADERXBNNVOM-UHFFFAOYSA-N 308.413 3.284 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2cccs2)[nH]c2c1C(=O)CCC2 23435875 USXYHBVXXNMYAD-SNVBAGLBSA-N 302.399 3.395 0 40 DGAB CC(=O)Nc1cccc(C(=O)NC2C3CC4CC(C3)CC2C4)c1 24032589 STNCYOLJHFGQNS-UHFFFAOYSA-N 312.413 3.200 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 24724835 CTADVXLQYCELCQ-MRXNPFEDSA-N 316.401 3.102 0 40 DGAB C[C@@H](CNC(=O)c1ccc(F)cc1)N1CCc2ccccc2C1 25633110 JUOQKSPADHGZND-AWEZNQCLSA-N 312.388 3.002 0 40 DGAB CCCCN1C(=O)N[C@@H](c2cccc(F)c2)C(C(=O)OC)=C1C 25671521 ZMLCRQWPYNKETD-HNNXBMFYSA-N 320.364 3.139 0 40 DGAB CCCOc1ccccc1C(=O)NCCc1csc(C)n1 28251594 RUYOQZFSQSTYKU-UHFFFAOYSA-N 304.415 3.213 0 40 DGAB Cc1ncc2c(n1)CC[C@@H](NC(=O)CCC1CCCCC1)C2 30781757 KFEOKNYPGMHZJZ-MRXNPFEDSA-N 301.434 3.119 0 40 DGAB Cc1cc2ncn(S(=O)(=O)c3ccc(F)c(C)c3)c2cc1C 31904010 YCTMRMUVEJZBAP-UHFFFAOYSA-N 318.373 3.338 0 40 DGAB O=C(NCCc1ccc(OC(F)F)cc1)c1cccc(F)c1 32739423 FLIBZRKXKWHLSM-UHFFFAOYSA-N 309.287 3.400 0 40 DGAB O=C(CCSCc1cccc(F)c1)NC(=O)NC1CCCC1 32778697 YSFNQYALRMXXQE-UHFFFAOYSA-N 324.421 3.217 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1F)Nc1ccc(Cl)cc1 32826235 QLNQMVLCPWVDSR-CQSZACIVSA-N 308.740 3.334 0 40 DGAB NC(=S)c1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 32912820 AEKPBGFHXQANSB-UHFFFAOYSA-N 322.336 3.175 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1ccc(OC)cc1 38772283 RONSGTCEFRSBMI-KRWDZBQOSA-N 317.360 3.308 0 40 DGAB O=C(COCC1CC1)Nc1nc(-c2ccc(F)cc2)cs1 40128886 GSDOFLXUUZSQGQ-UHFFFAOYSA-N 306.362 3.314 0 40 DGAB C[C@@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2C1 40485193 QBPWQGCNWZVLMK-NSHDSACASA-N 311.410 3.104 0 40 DGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)C1CCC1 40509772 HFIPKWWKCGKOIE-UHFFFAOYSA-N 307.415 3.142 0 40 DGAB CCc1cccc(NC(=O)N2CCN(c3nccs3)CC2)c1 40526328 GEPQHPAQVPCRTP-UHFFFAOYSA-N 316.430 3.060 0 40 DGAB C[C@H]1CCCCN1[C@@H](C)CNC(=O)c1cc2ccccc2o1 43084657 ZUGQEPOSIZPEGS-KBPBESRZSA-N 300.402 3.426 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c1 44950179 OSDCUKDKSBLHKL-CALCHBBNSA-N 316.489 3.330 0 40 DGAB COC(=O)c1ccc(NC(=O)N2CCc3ccccc3C2)cc1 48008063 LSNCKHGYQFUDHY-UHFFFAOYSA-N 310.353 3.063 0 40 DGAB C[C@H](NC(=O)N[C@H]1CCCN(C)C1)c1cccc2ccccc12 52500110 WFSBDTFFBUWMBH-HOCLYGCPSA-N 311.429 3.294 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1C 57316177 DSTCUTBZNONSET-UHFFFAOYSA-N 319.817 3.479 0 40 DGAB Cc1cccc(N2CCN([C@H](C)C(=O)Nc3ccccc3)CC2)c1 57358584 XSUGRUQJGGUBDP-QGZVFWFLSA-N 323.440 3.144 0 40 DGAB O=C(NCCOc1ccccc1)c1ccc(CN2CCCC2)cc1 57984282 ABGOMBNBUFJMRM-UHFFFAOYSA-N 324.424 3.091 0 40 DGAB Cn1cc(CC(=O)N2CCC[C@H]2c2ccccn2)c2ccccc21 58280268 GTODMTFHDMQNED-IBGZPJMESA-N 319.408 3.480 0 40 DGAB O=C(Nc1ccn(Cc2cccc3cccnc23)n1)C1CCC1 61315290 GAVJKZBFADPNKW-UHFFFAOYSA-N 306.369 3.218 0 40 DGAB O=S(=O)(Cc1cccc2ccccc12)c1nccn1C1CC1 63868056 FJHGMTUUXIGMIZ-UHFFFAOYSA-N 312.394 3.345 0 40 DGAB c1cc(N2CCCCC2)ncc1-c1noc(COCC2CC2)n1 69443282 FUOFRSWVQGHNDP-UHFFFAOYSA-N 314.389 3.049 0 40 DGAB CC[C@](CO)(NC(=O)Nc1ccccc1F)c1ccccc1 69595570 ZCUMFTXXVWUKEP-QGZVFWFLSA-N 302.349 3.245 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc(Cl)cn1 69674437 PYXVLBCALMTNGR-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1ccc2oc(C(=O)Nc3ccc(-c4nnco4)cc3)cc2n1 69815389 ZFVPZKHXCGOTTD-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB O[C@@H]1C[C@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1 69879309 BASSHEHFAYGWFG-VXGBXAGGSA-N 315.339 3.015 0 40 DGAB COc1ccccc1CNC(=O)c1cn[nH]c1-c1cccs1 71115946 ZGYJYRCYBWHYRW-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB COC(=O)c1cccc(C[C@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72233721 RNUOPLCSQUNQOH-CQSZACIVSA-N 319.401 3.273 0 40 DGAB COc1ccc(NC(=O)C(=O)Nc2cc(F)ccc2Cl)cc1 72286827 CAKMAQMMVDZJEA-UHFFFAOYSA-N 322.723 3.065 0 40 DGAB Cc1cc(C)nc(Nc2nccnc2[C@@H]2CCCN2C(C)C)n1 72384611 ZUROBLSNLLCEIK-AWEZNQCLSA-N 312.421 3.172 0 40 DGAB Cc1ccc(CN2CC[C@H](c3nc(-c4ccncc4)no3)C2)cc1 72389909 VYVVFJQQLZNVQE-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB COc1ccccc1C(C)(C)NCc1nnc(-c2ccco2)o1 72607585 JWANOELTCIPKMD-UHFFFAOYSA-N 313.357 3.363 0 40 DGAB Cc1nc(C2CCCC2)sc1C(=O)N(C)c1cnn(C)c1 74958272 YMCIQJDIVDJFMR-UHFFFAOYSA-N 304.419 3.119 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2ccc(OC)c(C)c2)c1 74959670 MWGFSOXVZRUDIF-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=C(N[C@H]1CCC[C@@H](O)C1)C1c2ccccc2Oc2ccccc21 75156756 BOLFTIVDHITOFN-UONOGXRCSA-N 323.392 3.344 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 76088384 XOSDUTDKPYYULC-NWANDNLSSA-N 307.463 3.458 0 40 DGAB COc1ccc(CNC(=O)c2cc3cccc(OC)c3o2)cc1 78660511 AHZAJOOZQYWLSX-UHFFFAOYSA-N 311.337 3.380 0 40 DGAB CCn1cnnc1-c1ccccc1NC(=O)/C=C/c1ccco1 78752487 KWLYCNOMZGGMSW-MDZDMXLPSA-N 308.341 3.210 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1Cl)[C@@H]1CCCO1 81659488 IXOHLXSWXZAXAE-JTQLQIEISA-N 322.561 3.359 0 40 DGAB Cc1[nH]ccc1C(=O)NCCc1csc(-c2ccccc2)n1 84839962 GDAFXISDWAFACM-UHFFFAOYSA-N 311.410 3.419 0 40 DGAB CC(C)c1nc(CN2CCc3c(nc(C4CC4)n3C)C2)cs1 89893552 XZEGWZXYDTZVJH-UHFFFAOYSA-N 316.474 3.436 0 40 DGAB Cc1cc2ncc([C@@H](C)NCc3sc(C)nc3C)c(C)n2n1 91728947 TXURDTCBZLYDDS-SNVBAGLBSA-N 315.446 3.270 0 40 DGAB c1cc(O[C@@H]2CCN(Cc3cnc(C4CCC4)s3)C2)ccn1 93866241 GJVSTLFWROBTLT-OAHLLOKOSA-N 315.442 3.459 0 40 DGAB Cc1cc2c(c(=O)[nH]1)[C@H](c1cccc3ccccc13)CC(=O)O2 95473385 UXSJDGOMRPBEDY-HNNXBMFYSA-N 305.333 3.278 0 40 DGAB CC(C)(C)OC(=O)N[C@H](C/C=C\c1ccccc1)CC(=O)O 95908689 ZEIROKVMYFFJKQ-JKEYDSJLSA-N 305.374 3.458 0 40 DGAB COc1ccc([C@@H](C)NCC[S@@](=O)C(C)(C)C)cc1F 95968112 PMYRZIPWMLDMFS-GIPWTMENSA-N 301.427 3.032 0 40 DGAB CCO[C@H]1CCN(CC2CCOCC2)[C@H]1Cc1ccccc1 96200401 WWLLNIPHRNFIBD-OALUTQOASA-N 303.446 3.135 0 40 DGAB C/C(=C\C(=O)N(Cc1nccn1C)C1CC1)c1ccc(F)cc1 96256210 VPGLSDIHKYGKFY-ACCUITESSA-N 313.376 3.154 0 40 DGAB COc1cccc([C@H](CNC(=O)c2ccc(F)cc2F)OC)c1 96389813 YNSUYNLGQZSXKT-INIZCTEOSA-N 321.323 3.091 0 40 DGAB COCCCCNC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C 96415233 NXFUQRWLTGOXTD-JKSUJKDBSA-N 304.434 3.309 0 40 DGAB O=C(NCc1nccs1)N[C@H]1CCC[C@@H]1Cc1ccccc1 96415301 UIGINLJWYZBFAS-CABCVRRESA-N 315.442 3.354 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)NCCc2cscn2)cc1 96426454 MUDFSVPSFUSZAN-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB CC[C@@H](NC(=O)[C@H](C)OC)c1ccccc1Br 96475099 MNMLCQDVJDVDOX-JOYOIKCWSA-N 300.196 3.051 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CN[C@@H](C)c2cnn(C(C)C)c2)n1 96476625 RWMXGOZQJTUSCI-BBRMVZONSA-N 303.454 3.264 0 40 DGAB CCOc1ccc(NC2CCN(Cc3cscn3)CC2)cn1 96494928 RXMHRHVCUXATMN-UHFFFAOYSA-N 318.446 3.013 0 40 DGAB CC[C@@](Cl)(C(=O)c1ccc(Cl)cc1)S(=O)(=O)CC 96518433 VPSMIHKTUIHJCL-LBPRGKRZSA-N 309.214 3.303 0 40 DGAB CC(=O)NC[C@H]1CCCN(c2c(C)c(C)nc3ccccc23)C1 97085930 NRZGFHVZCHUXNZ-MRXNPFEDSA-N 311.429 3.204 0 40 DGAB C[C@@H](NCc1nccc(N)n1)c1nc(-c2ccccc2)cs1 97112164 WALJMUSSORBJPN-LLVKDONJSA-N 311.414 3.033 0 40 DGAB O=C(Nc1ccncc1F)N[C@@H]1CCCOc2cc(F)ccc21 97135562 XGGLIRMSJLYJIA-CYBMUJFWSA-N 319.311 3.395 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1ccc(Cn2cccn2)cc1 97159573 SNQFQXPBYONFTE-UHFFFAOYSA-N 323.444 3.242 0 40 DGAB CCC[C@H]1C[C@H](C(=O)N(Cc2nnc(C)o2)C(C)(C)C)CCO1 97235996 FOFLHLSPAHBJST-KGLIPLIRSA-N 323.437 3.100 0 40 DGAB CN(C[C@H]1CCC[C@H]1O)c1ncc(C(F)(F)F)cc1Cl 108361275 MWYUASCPIUPPFT-LDYMZIIASA-N 308.731 3.351 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 109047927 LRKHIOSVJRAHJW-ZNMIVQPWSA-N 319.449 3.183 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 192366510 LXTBTXBKUHWOBS-GHMZBOCLSA-N 323.355 3.346 0 40 DGAB O=[S@](CCc1cccs1)Cc1cccc2c1OCCO2 195579393 DOEDIYLAMRJGCO-HXUWFJFHSA-N 308.424 3.011 0 40 DGAB COc1ccc(OC[C@H](C)NC(=O)c2cccc(F)c2)cc1 224957632 LHHRRTFPOFWNLE-LBPRGKRZSA-N 303.333 3.032 0 40 DGAB CCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225612436 MMGWJPDXNKBYPJ-QGZVFWFLSA-N 309.406 3.246 0 40 DGAB CCCO[C@](C)(CCC)C(=O)Nc1ccc(OCCOC)nc1 225905556 OMHMDWDNOOGXJC-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)N1C(=O)CCCc2ccccc21 252494659 OBGCKACRKJDVNG-AWEZNQCLSA-N 308.381 3.383 0 40 DGAB CCCCCCC1=C(C)C(=O)N([C@@H](C(=O)O)[C@@H](C)CC)C1=O 253402151 NZKFGKHNLPXKQI-SMDDNHRTSA-N 309.406 3.141 0 40 DGAB biogenic,in-vitro Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc(Cl)cc3)C2)n1 257286344 PLEZWUJDZGRITB-CQSZACIVSA-N 317.820 3.320 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)CC2=O)c1 408708631 RSQTVHDRVGXTKM-ZMSDIMECSA-N 314.429 3.043 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(OCC(C)C)cc2)C1=O 409246771 DIJRUQDPDPOIPG-XNTDXEJSSA-N 302.374 3.024 0 40 DGAB CC[C@H](NCOCC1c2ccccc2-c2ccccc21)C(=O)O 521806770 RNRQNKNHJYAIJD-SFHVURJKSA-N 311.381 3.226 0 40 DGAB c1cnc2nc([C@@H]3CCN(CCc4ccncc4)C3)ccc2c1 583650803 BJHKVFWSIMFBIW-QGZVFWFLSA-N 304.397 3.057 0 40 DGAB COCC[C@H]1CN(C(=O)c2cccc(C)c2)Cc2cccn2C1 585095401 PTNUWSHWGOXTFR-MRXNPFEDSA-N 312.413 3.105 0 40 DGAB O=c1ccc(C2CC2)nn1CC1CCN(CC2CCCC2)CC1 585506750 XDHVMXCKSJOUOE-UHFFFAOYSA-N 315.461 3.023 0 40 DGAB O=C(NCc1ccc(Cl)cc1)N1CCCN(C2CCC2)CC1 825545620 SGBCSAMQXAKCKX-UHFFFAOYSA-N 321.852 3.110 0 40 DGAB COc1ccc(C(=O)c2nocc2C(=O)c2cccs2)cc1 129216 KYUQHFTUFNWEFH-UHFFFAOYSA-N 313.334 3.207 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1 187317 GPUSKUQAQXHPQM-UHFFFAOYSA-N 322.320 3.004 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(C)c1 2664894 AWMAXOREGAJSPT-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)c2cc(C)n(C3CC3)c2C)no1 76043328 WXBPFOTWAHDYIO-OAHLLOKOSA-N 314.389 3.109 0 40 DGAB CC(=O)N1CCCN(C(=O)Cc2cccs2)c2ccccc21 76041056 IJPGLNDWYGMORL-UHFFFAOYSA-N 314.410 3.080 0 40 DGAB CN1CC[C@@H](Cc2ccc(-c3cccc(C(=O)O)c3)cc2)C1=O 77010645 NEHPTLICXQVUKX-INIZCTEOSA-N 309.365 3.073 0 40 DGAB COc1ccc(NC(=O)Nc2cccc(C(=O)O)c2)c(OC)c1 1738538 LOWFLQVCNZWMEF-UHFFFAOYSA-N 316.313 3.046 0 40 DGAB O=C1NC(=O)[C@@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 2046149 NVXXMIBJZKNOQN-OAHLLOKOSA-N 321.163 3.076 0 40 DGAB CCCCn1nnnc1SCC(=O)c1ccc(C)c(C)c1 4375187 POHGGNWIUNXHIJ-UHFFFAOYSA-N 304.419 3.065 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)N(C)Cc2ccsc2)c1C 24383966 LCBSKFCKTBONDB-UHFFFAOYSA-N 320.414 3.142 0 40 DGAB Cc1cccc(C(=O)c2cccc(CN3CCOCC3)c2)c1C 43211004 FTCKMZJERBVIFU-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB Cc1oc(C)c(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c1C 69771316 LQUQKUSIURVQCU-OAHLLOKOSA-N 301.390 3.187 0 40 DGAB CC(C)(C)CC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55453401 IWRNOYJCJXJZAS-UHFFFAOYSA-N 307.409 3.426 0 40 DGAB Cc1noc(COC(=O)c2cccnc2SC2CCCC2)n1 56294596 SJQQXVNICRKPQX-UHFFFAOYSA-N 319.386 3.165 0 40 DGAB C[C@H](NC(=O)CCc1ncc(-c2c(F)cccc2F)o1)C1CC1 25772725 UTOAHUQJOXUJQR-JTQLQIEISA-N 320.339 3.467 0 40 DGAB Cc1cc(NC(=O)NCc2cc(Br)cs2)no1 44971376 NQFXWXNAQVJJLQ-UHFFFAOYSA-N 316.180 3.129 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@@H](c1cccs1)C(C)C 58394071 AUEWRWQDQCBATJ-OAHLLOKOSA-N 306.479 3.343 0 40 DGAB O=C(Cn1cccn1)Nc1cccc(C2SCCCS2)c1 58380616 HMOWICTVCVBGKX-UHFFFAOYSA-N 319.455 3.391 0 40 DGAB CN(Cc1cc(Br)cs1)C(=O)c1cccnc1 48069666 JCKCQOURAGMSAA-UHFFFAOYSA-N 311.204 3.178 0 40 DGAB COC(=O)c1ccc(NC(=O)N[C@H](C)c2ccc(F)cc2)cc1 48012577 DBLYVFXAZBWFCT-LLVKDONJSA-N 316.332 3.495 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1 28248819 GIILUGNKPDMJCM-UHFFFAOYSA-N 302.399 3.070 0 40 DGAB CN(CCNC(=O)Cc1cccc(Cl)c1)c1ccccc1 67903780 VCVZDQWXHUKJEB-UHFFFAOYSA-N 302.805 3.135 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)s1 3384749 MUDJFHWVULTPES-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB Oc1ccc(F)cc1-c1cc(-c2ccc3c(c2)OCCO3)[nH]n1 13110713 TZSNULCNLNBRID-UHFFFAOYSA-N 312.300 3.360 0 40 DGAB O=c1c2ccc(Cl)cc2ncn1Cc1cccc(F)c1F 8747799 UTJKIHVKXQMHEV-UHFFFAOYSA-N 306.699 3.376 0 40 DGAB Cn1ccnc1C(=O)Nc1ccc(Cl)cc1Br 4025289 AJHWJYBZACOLMS-UHFFFAOYSA-N 314.570 3.088 0 40 DGAB Cn1cc(CCCOC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1 63955314 QANABSSTMPMFBB-UHFFFAOYSA-N 317.776 3.344 0 40 DGAB COc1ccccc1OCCNc1ncnc2cc(F)ccc12 49587052 UPRCBJYJTXBRES-UHFFFAOYSA-N 313.332 3.268 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 8756177 FCTGMYDIBOVISE-RYUDHWBXSA-N 300.324 3.288 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 6336510 OELYBZLBEMUMRN-LLVKDONJSA-N 316.332 3.190 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 9154920 AVEWQCPXVINQOD-WMLDXEAASA-N 318.442 3.203 0 40 DGAB CCc1nnc(NC(=O)CSc2ccc(C)c(C)c2)s1 5667882 ZCKBKHMHUKJOLC-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB COc1cc(N[C@@H](C)C(=O)Nc2ccccc2)cc(OC)c1 9111993 IWLXEZHJRKIIKY-LBPRGKRZSA-N 300.358 3.143 0 40 DGAB OCCCN(Cc1cc(-c2ccccc2)no1)CC(F)(F)F 66528321 QLDJAGLLRHBJSR-UHFFFAOYSA-N 314.307 3.088 0 40 DGAB COc1ccccc1CC(=O)Nc1cccc(N2CCCC2=O)c1 6988060 XINOIFXZOLXATB-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB COc1ccc(CNC(=O)Cn2c(C)cc3ccccc32)cc1 6964400 DNFYFAILPWGUHK-UHFFFAOYSA-N 308.381 3.275 0 40 DGAB COCCCNC(=O)[C@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 80344958 OHNFSBKFOFLZBW-STQMWFEESA-N 302.201 3.250 0 40 DGAB O=C(CCc1ccccc1)Nc1ccccc1C(=O)NC1CC1 7596986 GMCFBTCTNKWPFM-UHFFFAOYSA-N 308.381 3.150 0 40 DGAB c1ccc(CSCCCN2CCOC3(CCOCC3)C2)cc1 90552730 JKUPGQNHGMWXCF-UHFFFAOYSA-N 321.486 3.191 0 40 DGAB NC(=O)c1ccc(OC(=O)c2ccc(Cl)c(Cl)c2)cc1 7690245 XQGWOZJHNYBOLG-UHFFFAOYSA-N 310.136 3.312 0 40 DGAB c1ccc(CSc2nnc(-c3ccncc3)n2C2CC2)nc1 69442618 SOIQDWAOSSMWNX-UHFFFAOYSA-N 309.398 3.362 0 40 DGAB O=S(=O)(NCC1CCCC1)c1ccccc1C(F)(F)F 26847248 DWPCKOUIEBBZFY-UHFFFAOYSA-N 307.337 3.174 0 40 DGAB O=C(Nc1cccc(-c2nnnn2C2CC2)c1)c1ccc(F)cc1 9709578 HWTKBEARUOCGMY-UHFFFAOYSA-N 323.331 3.066 0 40 DGAB Cc1nc(CCNC(=O)CC(C)(C)c2ccccc2)c(C)o1 95444692 VAUFZBUPVIEHIU-UHFFFAOYSA-N 300.402 3.318 0 40 DGAB Cc1nccn1CCCn1ncnc1-c1ccccc1Cl 95455428 CGSQREAORPCMGA-UHFFFAOYSA-N 301.781 3.194 0 40 DGAB O=C(c1scnc1C1CC1)N1CCCc2cccc(O)c21 95995349 VDABKMKFCLCDAZ-UHFFFAOYSA-N 300.383 3.319 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)CNC1CCCC1 28297057 BTCPRWRCAYLSNL-QGZVFWFLSA-N 300.446 3.460 0 40 DGAB Cc1[nH]c2cc(Cl)ccc2c(=O)c1I 72207176 NWOAOAAMKMGHEW-UHFFFAOYSA-N 319.529 3.095 0 40 DGAB c1cncc(-c2[nH]c3ncccc3c2CN2CCSCC2)c1 72397010 PWVSMBUKNGZWIF-UHFFFAOYSA-N 310.426 3.174 0 40 DGAB C[C@@H](NC(=O)Cc1ccccc1O)c1csc(C2CC2)n1 79036757 CFJYZFJFDRTVAU-SNVBAGLBSA-N 302.399 3.146 0 40 DGAB COC(=O)c1cccc(C(=O)O[C@H]2CCCc3ccccc32)n1 79077342 FMNUMNUUXIZPCF-INIZCTEOSA-N 311.337 3.103 0 40 DGAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1nccs1 72405884 KTSILQCBILZVAV-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB Cc1ccnc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225731881 WWCCZCPJWVTTJE-HUUCEWRRSA-N 320.506 3.044 0 40 DGAB COc1cc(N)c(Cl)cc1C(=O)N(C)CCc1cccs1 195543631 KFWCURWTDVXLDR-UHFFFAOYSA-N 324.833 3.307 0 40 DGAB C[C@@H](O)C[C@@H](C)CNC(=O)c1ccc2nc(Cl)ccc2c1 81796383 AAXWPPSODAFEMK-GHMZBOCLSA-N 306.793 3.025 0 40 DGAB c1csc(-c2noc(-c3ccccc3Cn3cncn3)n2)c1 193145378 BMJNQLAOIOXXOY-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB Cc1c(C(=O)N2CCCC[C@@H]2CN)oc2ccc(Cl)cc12 237740955 IALNSGIDQFVKTQ-GFCCVEGCSA-N 306.793 3.348 0 40 DGAB O=C(NCCSc1ccccc1F)NCCC(F)(F)F 96440236 MIOAOAUEQWFWOU-UHFFFAOYSA-N 310.316 3.169 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2cccc(C(F)(F)F)c2)n(C)n1 97513378 JXYSSGGTSRLXCH-SNVBAGLBSA-N 311.307 3.238 0 40 DGAB O=C(NCCSc1ccccc1)N[C@@H]1CCO[C@@H](C2CC2)C1 97378891 BNABOZKYFWRCHK-GDBMZVCRSA-N 320.458 3.036 0 40 DGAB CCOCCn1c(CCCC(=O)O)nc2cccc(Cl)c21 95095667 ZIJNQEONDCRARX-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB Cc1cc(C(=O)NC[C@](C)(O)c2ccsc2)c(C)n1C1CC1 96450383 AWLKSFQYNCZPKN-KRWDZBQOSA-N 318.442 3.139 0 40 DGAB COCc1csc(NC(=O)N[C@@H]2CCc3cc(F)ccc32)n1 96435551 SNHZABVYJFNLIS-CYBMUJFWSA-N 321.377 3.238 0 40 DGAB O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)c1cccc2cc[nH]c12 245344034 WZBQFYLEFMDEFY-YUELXQCFSA-N 312.369 3.026 0 40 DGAB CSCCCN(C)C(=O)NC[C@@H]1CCN(C)c2ccccc21 252485258 GPSRZQLEZMAXHM-AWEZNQCLSA-N 321.490 3.005 0 40 DGAB C[C@@H]1CCC[C@H](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 267324886 FPQFYIAXQDXNOR-TZMCWYRMSA-N 320.385 3.371 0 40 DGAB biogenic,in-vitro NC(=O)c1cccc(OCc2ccc(Br)cc2)c1 73742298 ZHEOOGCNXCDHKL-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB CCc1cnccc1NC(=O)c1ccc(Cn2ccnc2)cc1 75612208 SWLSPBGEXWJHEJ-UHFFFAOYSA-N 306.369 3.141 0 40 DGAB Cc1cc(CS[C@@H](C)C(=O)NCCc2ccc(F)cc2)on1 78555624 KFXGTRGIYHBDPI-LBPRGKRZSA-N 322.405 3.103 0 40 DGAB Cc1cnc(CCN(C)C(=O)c2ccc(O)c(Cl)c2)s1 89702403 ZZYPEQWVUHRGQA-UHFFFAOYSA-N 310.806 3.125 0 40 DGAB Cc1cccc(OCCCNC(=O)c2cn3ccc(C)cc3n2)c1 12397729 QAIGGGIKEPLRCA-UHFFFAOYSA-N 323.396 3.150 0 40 DGAB Cc1ccc(C[C@@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)cc1 12648614 WOSCOMOICKCSAJ-AWEZNQCLSA-N 307.390 3.105 0 40 DGAB Cn1cccc1/C=C1/SC(=O)N(Cc2ccccc2F)C1=O 15013492 KMLYFZXNUVVXOO-NTEUORMPSA-N 316.357 3.401 0 40 DGAB O=C(Cn1ccnc1)Nc1ccccc1Oc1ccc(F)cc1 19350021 OWNHXOCGGPPIKN-UHFFFAOYSA-N 311.316 3.453 0 40 DGAB CCc1c(C)nn2c(O)cc(Cn3c(C)nc4ccccc43)nc12 19521783 IUISABRWFZXIMH-UHFFFAOYSA-N 321.384 3.012 0 40 DGAB CCNC(=S)Nc1sc2c(c1C(=O)OCC)CCCC2 2604333 YZSLBUCYWPLIJN-UHFFFAOYSA-N 312.460 3.110 0 40 DGAB Cc1cnc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)s1 10192417 IMQYNEXRRSXESO-UHFFFAOYSA-N 302.334 3.233 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3ccc(F)cc3s2)C1 1889115685 HJSDGDQQYMATAL-JTQLQIEISA-N 321.421 3.176 0 40 DGAB CC(=O)Nc1ccc2c(c1)N(C(=O)c1cccs1)CCC2 5136282 JFAREWXXYFLEDT-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)CCCC2 100221890 YXLHJRQJKUYGQR-MJJLTSLDSA-N 319.404 3.123 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccsc1 585300033 HBXUGPDAAJUJTJ-UHFFFAOYSA-N 301.415 3.129 0 40 DGAB CC(C)NC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCNC1 72391935 KJKDXFWYJNLYSN-OAQYLSRUSA-N 322.452 3.400 0 40 DGAB Cc1ccc(N2C(=O)C[C@]3(C[C@H]4C=C[C@H]3C4)C2=O)cc1Cl 100771016 GXOZXNMLJNKKHT-PRXAMGSTSA-N 301.773 3.494 0 40 DGAB Cc1nc2ccc(C(=O)N[C@H](C)c3ccncc3)cc2nc1C 32740844 MTROEPRBQFQIQS-CYBMUJFWSA-N 306.369 3.133 0 40 DGAB O=C1[C@H]2CCC[C@H]2C(=O)N1Cc1ccc(-c2cccnc2)cc1 102344517 AEPIZAFNCOVOCI-CALCHBBNSA-N 306.365 3.034 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccn(-c3ccccc3)n2)cc1 32913913 UCPXNVUYCRISKF-UHFFFAOYSA-N 320.352 3.083 0 40 DGAB C[C@@H](N[C@@H](CC(=O)c1ccc(F)cc1)C(=O)O)c1ccccc1 44382 KSHWGVIVSLPHCE-WBMJQRKESA-N 315.344 3.203 0 40 DGAB CCc1c(C)sc(NC(=O)Cc2ccc(F)cc2)c1C(N)=O 483964 DZXFWFVYWFBYAX-UHFFFAOYSA-N 320.389 3.038 0 40 DGAB Cc1ccc2c(C(=O)CN3CCCC[C@@H]3CCO)c(C)[nH]c2c1 535172 CEMMMGABLNSKLL-OAHLLOKOSA-N 314.429 3.204 0 40 DGAB CCN(Cc1ccccc1)C(=O)/C=C/c1ccc2c(c1)OCO2 1469192 YOPNTBRCOLAQJP-PKNBQFBNSA-N 309.365 3.477 0 40 DGAB OCc1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2[C@@H]1O)CCC3 1646179 BSHZCNKXGSJSNV-SFTDATJTSA-N 306.405 3.042 0 40 DGAB COc1ccc(C(=O)[C@H](CCCO)[C@H]2CCOC(C)(C)C2)cc1 2139290 CFFPLOUXQRJWDM-DOTOQJQBSA-N 320.429 3.472 0 40 DGAB biogenic CCN(CC)CCOc1ccc2c(c1)C(=O)c1cc(O)ccc1-2 2231796 IBSKETFVZRWGRW-UHFFFAOYSA-N 311.381 3.324 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCN(c2ccccc2F)CC1 2512142 ABAMJLUNZKCFSF-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccccc1CN1CC=CC1 2516309 CAJOLWKDLOQWFX-UHFFFAOYSA-N 315.413 3.365 0 40 DGAB COc1ccccc1C(=O)CSc1nnc(-c2ccco2)o1 3309101 GHTPRJLCWBZZIL-UHFFFAOYSA-N 316.338 3.313 0 40 DGAB CCOCCCNC(=O)c1ccc(C(=O)c2ccccc2)cc1 3342648 HJSSHEAZVIRXJH-UHFFFAOYSA-N 311.381 3.074 0 40 DGAB CCc1ccc(NC(=O)CSc2nnc3ccccn23)cc1 3505702 PZESBKQFCSUSJL-UHFFFAOYSA-N 312.398 3.023 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COc1ccc(C=O)cc1 4201524 WVPWOGWUHNSCKZ-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB CCn1cc(CN(C)C(=O)CC23CC4CC(CC(C4)C2)C3)cn1 4652507 YADVBLSEJMYPSY-UHFFFAOYSA-N 315.461 3.468 0 40 DGAB CCN(CC)C(=O)/C(=C\c1ccc(C)cc1)n1ccccc1=O 4680038 LCTPHMROFYIGIL-SAPNQHFASA-N 310.397 3.023 0 40 DGAB CCn1ncc(-c2ccno2)c1C(=O)Nc1cccc(Cl)c1 4769981 KOWBSROOSOFBFA-UHFFFAOYSA-N 316.748 3.464 0 40 DGAB c1ccc2c(c1)nnn2CNc1ccc(Cc2ccncc2)cc1 5332318 JSOKFYDAEPVULN-UHFFFAOYSA-N 315.380 3.487 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1N 6755352 WUHSNHGJXCGCSR-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB O=C(c1ccsc1)N1CCN(c2ccccc2Cl)CC1 7150053 JRMUFYCRNMMNNX-UHFFFAOYSA-N 306.818 3.364 0 40 DGAB COc1ccccc1-c1nnc(SCc2cc(C)on2)n1C 7834312 REWCKWNLVXFEND-UHFFFAOYSA-N 316.386 3.079 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N[C@@H](CC(C)C)c1ccccc1 8516979 OGVZZOKFRODUHU-HNNXBMFYSA-N 322.430 3.357 0 40 DGAB CCc1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)ccc1OC 8714835 DQGHLUJGAAXZLX-SWLSCSKDSA-N 311.447 3.115 0 40 DGAB C[C@H](OC(=O)c1ccccn1)C(=O)C12CC3CC(CC(C3)C1)C2 11077528 KPUIBVKPMGMTLW-UHSVVUDUSA-N 313.397 3.412 0 40 DGAB Cc1cc(C)c2[nH]c(C(=O)NCc3c(C)n[nH]c3C)c(C)c2c1 12196161 CWVSDHACABBBJY-UHFFFAOYSA-N 310.401 3.363 0 40 DGAB COc1ccccc1-c1nnc(S[C@@H]2CCCCC2=O)n1C 12851705 GTFNUCSXTZEWPO-CQSZACIVSA-N 317.414 3.095 0 40 DGAB Cc1ccccc1C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1 13176234 RBSSBBRSWPRCSF-HNNXBMFYSA-N 301.317 3.080 0 40 DGAB CCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)CC1 13326243 VHNBUUWVLNTPQK-CYBMUJFWSA-N 324.852 3.016 0 40 DGAB CCOc1cc(NC(=O)c2ccccc2F)c(OCC)cc1N 13452919 KHGNTDYASFHLMJ-UHFFFAOYSA-N 318.348 3.458 0 40 DGAB COc1ccc(NC(=O)c2cnn(C)c2)cc1Cc1ccccc1 14196520 BGYJSHJVYUWUPQ-UHFFFAOYSA-N 321.380 3.272 0 40 DGAB CCOc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2)cc1 14229390 MVXQFTXWDHGVGM-AWEZNQCLSA-N 319.426 3.266 0 40 DGAB COc1cc(C(=O)Nc2ccncc2)ccc1OCC(C)C 17584593 YJFYEJCXHJGCAV-UHFFFAOYSA-N 300.358 3.377 0 40 DGAB Cc1nn(C)cc1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 19583699 BLJYQYQXJDYHFC-GOSISDBHSA-N 317.408 3.049 0 40 DGAB O=C(CS(=O)(=O)c1ccccc1)c1ccc(Cl)s1 19849270 FSVNKXIRXJVSMC-UHFFFAOYSA-N 300.788 3.058 0 40 DGAB C[C@H]1CN(C(=O)COc2cccc(Cl)c2Cl)C[C@H](C)O1 20572342 SHMMYVPPFZREOK-UWVGGRQHSA-N 318.200 3.008 0 40 DGAB CC(CNC(=O)c1cnccn1)(c1ccccc1)c1ccccc1 21669764 SYEYIAXAKLGBGC-UHFFFAOYSA-N 317.392 3.213 0 40 DGAB COc1ccc(OC(=O)CCc2ccc3c(c2)OCCO3)cc1 24689532 OVTICAANLQXXTF-UHFFFAOYSA-N 314.337 3.005 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1 24743549 KZCYQICVHIMRDT-LBPRGKRZSA-N 309.325 3.143 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)cc1 26754316 URGZXSSADFBNAF-HUUCEWRRSA-N 313.397 3.382 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)n1 26985029 LWIRWEZKVZWAOB-NXEZZACHSA-N 316.361 3.086 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210290 ATPREGJEBGJNQE-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1ccncc1 28220641 JCAZVFZBSIKSMS-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB COc1ccc(CSc2nnc(-c3cc(C)n(C)n3)o2)cc1 28579047 NFZUTAXBJPKWQM-UHFFFAOYSA-N 316.386 3.079 0 40 DGAB Cc1ccc(OCC(=O)NCCOc2ccc(F)cc2)cc1C 29294016 WJWMJRUSSQHSGA-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB O=C(NCC1CCCC1)NC1CCN(Cc2ccccc2)CC1 31664586 XDDGSZVFSINVAE-UHFFFAOYSA-N 315.461 3.140 0 40 DGAB Cc1cc(NC(=O)c2ccncc2)nn1-c1cccc(Cl)c1 34907573 LKDGLLCBBFLURC-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1cccs1)N(C(C)=O)CC2 35982357 MORJTSFQOUHAHA-KRWDZBQOSA-N 317.410 3.259 0 40 DGAB Cc1c(C(=O)NCCC(=O)N(C)C)oc2c1ccc1ccccc12 47556461 YLRNLNJSMPFSMI-UHFFFAOYSA-N 324.380 3.103 0 40 DGAB Cc1ccoc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55945000 CTJZVWAJPCYUBL-CABCVRRESA-N 303.333 3.377 0 40 DGAB O=c1c(Cl)coc2c3c(ccc12)OCN(Cc1ccco1)C3 57312280 ZIFMYMDFDWFLJB-UHFFFAOYSA-N 317.728 3.392 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccccn2)cc1F 58342679 LOYBLBOQBQRVAM-KRWDZBQOSA-N 313.376 3.264 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63808994 ZPZHRWPQEYHHHS-SKDRFNHKSA-N 317.414 3.306 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N[C@H](c1cccs1)C(C)C 65443295 GYUVYAUTGAUBKM-HNNXBMFYSA-N 320.462 3.409 0 40 DGAB Cc1cc(CNC(=O)N2CCC[C@H](c3ccccc3)CC2)on1 67080967 QHIAUNMIEFWPPC-INIZCTEOSA-N 313.401 3.462 0 40 DGAB COCc1cc(C[C@@H]2C[C@H](NC(=O)C3CCCC3)C2(C)C)no1 67889869 AIKSZPVCKWPPGV-CJNGLKHVSA-N 320.433 3.085 0 40 DGAB biogenic,in-vitro O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@@H](O)C(F)(F)F 69702601 UYEQWRMTRQEIBM-GHMZBOCLSA-N 322.714 3.260 0 40 DGAB Cc1cnn(C[C@H]2CCCN2Cc2ccc(-n3ccnc3)cc2)c1 69951649 MLCXYJDTNBFULE-LJQANCHMSA-N 321.428 3.042 0 40 DGAB O=C(Nc1ccc(-n2cccn2)c(F)c1)OCC(F)(F)F 71790753 KWWFFZRNMLMZHT-UHFFFAOYSA-N 303.215 3.122 0 40 DGAB in-vitro COc1ccc(C)cc1CN[C@H](C)c1nnc2n1CCCCC2 71798585 ZQWJMPHCIVWRJC-CQSZACIVSA-N 314.433 3.172 0 40 DGAB Cc1ccccc1[C@H]1C[C@@H](C)N(C(=O)CCCn2ccnc2)C1 71915257 ZFKKJPBOPUVEGE-SJORKVTESA-N 311.429 3.376 0 40 DGAB CCC[C@@H]1SCCN1C(=O)[C@H](C)OCc1cccc(OC)c1 72288337 WJTZCSBQMWOHOY-BBRMVZONSA-N 323.458 3.302 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1ccc(OC)c(F)c1 72298378 YQUCCBDBKZUHQS-HNNXBMFYSA-N 303.381 3.218 0 40 DGAB Cc1ccc2c(c1)CN(Cc1ccsc1)[C@@H](CN(C)C)CO2 72395304 YGDOXZIXIRFOGW-KRWDZBQOSA-N 316.470 3.381 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)Cc2ccccc2)cc1 74923575 JXRBGXHBKTYTBL-UHFFFAOYSA-N 319.426 3.296 0 40 DGAB Cc1cc(F)cc2[nH]c(C(=O)NCCc3cscn3)cc12 75140272 OAZKTFXOJIMNCG-UHFFFAOYSA-N 303.362 3.044 0 40 DGAB C/C(=C\c1ccccc1)CNc1ccc(N2CCN(C)CC2)nc1 83812962 FCLMJEAISBFAFF-SAPNQHFASA-N 322.456 3.349 0 40 DGAB CCOCc1ccc(CNc2nc(OC)ncc2Cl)cc1 84802776 IGNVEAGUOYOGHK-UHFFFAOYSA-N 307.781 3.287 0 40 DGAB CCOc1ccc(-c2nc(-c3ccc(N)cc3)n[nH]2)cc1OC 85384532 ZWPPJDGQNCSYDQ-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB COc1ccc([C@@H](O)[C@@H]2CCCN2C(=O)C2CCCCC2)cc1 89438796 MIGVAHUJHPJGMP-ZWKOTPCHSA-N 317.429 3.300 0 40 DGAB COCCOc1ccc(CN[C@@H]2CCc3ccc(C)cc32)cn1 89657350 SFBHCNXJASMJBC-GOSISDBHSA-N 312.413 3.192 0 40 DGAB O=C(c1ccncc1Cl)N1CCC[C@@H](Nc2ccccc2)C1 89845688 GJSLYMVFPARJNE-CQSZACIVSA-N 315.804 3.452 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)c(F)c1 89948883 RMFOJBAZBPVBBZ-CZUORRHYSA-N 312.816 3.216 0 40 DGAB O=Cc1cc(Br)ccc1N1CCC(F)(F)CC1 95081441 UNQWIWYNNGBGGR-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB CC(C)CCNC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 95392593 DHTJZGDTFAJATG-SNVBAGLBSA-N 324.475 3.019 0 40 DGAB COC(=O)COc1cc(NCc2cc(C)on2)c(Cl)cc1C 95398969 WLLNGYJGVBRCFT-UHFFFAOYSA-N 324.764 3.109 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CCOC1 95447295 ZTZLBEPWKVSGPY-PWSUYJOCSA-N 314.788 3.046 0 40 DGAB Cc1cnc(CC(=O)N(C)[C@@H](C)c2sc(C)nc2C)s1 95451522 WWTBIGBLHNLPNB-JTQLQIEISA-N 309.460 3.287 0 40 DGAB COc1cc(CNC[C@H]2CCO[C@H](C)C2)cc(Cl)c1OC 95457717 STTWXGBGCLCVGD-NEPJUHHUSA-N 313.825 3.262 0 40 DGAB C[C@H]1CN(CCCNCc2csc3ccccc23)C[C@H](C)O1 95947338 JBEVQWYLGBCOOJ-GJZGRUSLSA-N 318.486 3.490 0 40 DGAB CCS[C@@H]1CC[C@H](NCc2c[nH]nc2-c2cccnc2)C1 95990129 RQWMXCXPHCRTDA-LSDHHAIUSA-N 302.447 3.236 0 40 DGAB CC(C)(C)Sc1cc(CNC(=O)NCC(F)F)ccn1 95995075 JACVWFXSKJYWQO-UHFFFAOYSA-N 303.378 3.037 0 40 DGAB CS[C@H]1CCN(C(=O)c2ccc(OC(F)(F)F)cc2)C1 96120030 YJXFVRVIRXRRNZ-NSHDSACASA-N 305.321 3.163 0 40 DGAB CCC(=O)N1CCc2ccc(NC(=O)/C=C/c3ccoc3)cc2C1 96120188 UNCVPMNZVXGOKO-ZZXKWVIFSA-N 324.380 3.226 0 40 DGAB CC[C@H](CC(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 96414101 QEZNUFQOVPUEDH-CQSZACIVSA-N 321.384 3.185 0 40 DGAB Cn1cc(C(=O)N[C@H](c2ccc(Cl)cc2)C(F)(F)F)cn1 96420959 ACGVXIFIDYPRHI-LLVKDONJSA-N 317.698 3.107 0 40 DGAB COc1ccc(-c2ccc(CNC(=O)[C@H](C)OC)s2)cc1 96446376 WDTYDBPJYXNURA-NSHDSACASA-N 305.399 3.075 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NCC[S@](=O)C(C)(C)C 96477877 FKYSUXFBXZWCKH-XUSGNXJCSA-N 324.515 3.364 0 40 DGAB CCc1nnc([C@H](C)N(C)Cc2c(C)nc3sc(C)cn23)o1 97086162 OKAIPOOBRBZIJQ-NSHDSACASA-N 319.434 3.151 0 40 DGAB CCOc1cccc2cc([C@H](C)NCc3noc(C)n3)oc12 97111369 LNOSSPWRMNOHNM-JTQLQIEISA-N 301.346 3.374 0 40 DGAB Cc1ccc(CCC(=O)N[C@H](CC(=O)O)c2ccccc2C)o1 97231182 SRHNVIRLWJSKFC-MRXNPFEDSA-N 315.369 3.161 0 40 DGAB [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])[C@H]2CCCC[C@@H]21 100385079 NTSVJVRLDPGQJC-ROUUACIJSA-N 320.392 3.310 0 40 DGAB Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)NC[C@@H](C)O 192495977 ZNRFSGJAYPKXEB-UKRRQHHQSA-N 318.442 3.020 0 40 DGAB O=C(c1cncc(F)c1)N1CCC(Sc2ccccn2)CC1 195538927 YVDKAWVJVGSKCQ-UHFFFAOYSA-N 317.389 3.013 0 40 DGAB COc1ccc(CC(=O)NCCSCc2ccco2)cc1C 224870628 CJRJUMPHTVHJLO-UHFFFAOYSA-N 319.426 3.189 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)c(C)c1 225611370 VSCRDPNUGBBRHB-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB C[C@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 226627673 KPLHLZRTFOXTCQ-WOUAJJJCSA-N 319.360 3.063 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 257295507 QYOYMATVLFQWJP-OAHLLOKOSA-N 309.413 3.156 0 40 DGAB CCOC(=O)c1cc(-c2cc(F)cc(Br)c2)on1 260289630 PGMUSCBQAJTTFC-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB CCc1ncc(CNC(=O)N2CC[C@@H](C(F)(F)F)C2(C)C)o1 334102438 WVXTWCGWIBWOHF-SNVBAGLBSA-N 319.327 3.109 0 40 DGAB CC1CCN(C(=O)Nc2nc(C3CCOCC3)cs2)CC1 376761840 XGOLLPPWHBJXPF-UHFFFAOYSA-N 309.435 3.301 0 40 DGAB COc1ccc(C(=S)NCc2ccc(F)cc2)c(OC)c1 408578163 WINPOHIZSSOJGK-UHFFFAOYSA-N 305.374 3.308 0 40 DGAB CC(C)Cn1cc(Br)c(COCC(F)(F)F)n1 408716212 KAFYDTCSZWAUQE-UHFFFAOYSA-N 315.133 3.381 0 40 DGAB O=C(NC[C@H]1CCCCC1(F)F)c1cccc2oc(O)nc12 577190101 IMSNZHBWFJZJFB-SECBINFHSA-N 310.300 3.089 0 40 DGAB CC(C)[C@H]1N(C(=O)c2cc(O)nc(C3CC3)n2)CC12CCCC2 579023886 CKLFCRZGBOQZCX-OAHLLOKOSA-N 315.417 3.100 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3ccsc3)C[C@@H]21 585110007 NRGSKTFYYAFSTL-TZMCWYRMSA-N 313.426 3.073 0 40 DGAB CCOC(=O)c1cc(Br)c2c(OC)cccc2n1 685937677 XBGUPTCQMKUYSW-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N1CC2(CC(c3ccccc3)C2)C1 1775971961 PDBPSUVPZYNERY-UHFFFAOYSA-N 309.413 3.057 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 532333 XGPJHWMCXSDYAT-CVEARBPZSA-N 305.385 3.315 0 40 DGAB CCN(CC)c1cccc(Oc2nnnn2-c2ccccc2)c1 1428649 RVCLLUBSTSANRL-UHFFFAOYSA-N 309.373 3.301 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N[C@@H](O)C(Cl)(Cl)Cl 1670674 VGJDCHRXONNPKT-ZETCQYMHSA-N 317.987 3.150 0 40 DGAB COc1ccc([C@@H](CC(=O)O)c2ccc(OC)cc2OC)cc1 2036521 BQMZZINBFRGOPA-MRXNPFEDSA-N 316.353 3.319 0 40 DGAB CCCCCC(=O)NC(=S)Nc1ccc(OC)cc1OC 2052112 QGYBTQJDWKPCIR-UHFFFAOYSA-N 310.419 3.097 0 40 DGAB CC(C)CNC(=O)c1ccc(COCC(F)(F)C(F)F)o1 2487643 OUFJLHKRQFKJHP-UHFFFAOYSA-N 311.275 3.082 0 40 DGAB C=C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O 2583197 WKYFUFWCJIKRCS-KRWDZBQOSA-N 323.348 3.164 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1ccccc1Cl 3116953 KAMJXOBUJMAJDY-UHFFFAOYSA-N 316.788 3.429 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cccc(C)c2)c1C 3587815 CCBLWSITPOOFFB-UHFFFAOYSA-N 313.353 3.182 0 40 DGAB CCC(=O)NC[C@H](c1cccs1)N1CCc2ccccc21 4305526 AUYUHOQQWDCVEA-OAHLLOKOSA-N 300.427 3.378 0 40 DGAB CC(C)CNC(=O)C(=O)Nc1cc(Cl)c(Cl)c(Cl)c1 4474368 HDTFSNJPQZPIPV-UHFFFAOYSA-N 323.607 3.358 0 40 DGAB CC[C@@]1(c2ccc(F)cc2)NC(=O)N(Cc2ccccc2)C1=O 4514155 JLPCFLPWULOBFO-SFHVURJKSA-N 312.344 3.183 0 40 DGAB C[C@H]1C[C@@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC(C)(C)C1 4614629 BRLOPWYLXBHZKT-QAIIKZMUSA-N 307.434 3.064 0 40 DGAB O[C@H](CNC1CCCC1)COCC12CC3CC(CC(C3)C1)C2 5188588 XRIXXQPMSKSNJD-CHNSHAQVSA-N 307.478 3.113 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H]2CCCc3ccccc32)cc1 5442896 HURGBNDTQRLOQL-SFHVURJKSA-N 308.381 3.452 0 40 DGAB Cc1ccc(S(=O)(=O)[C@]23N=NC(C)(C)[C@H]2N=NC3(C)C)cc1 5766429 OZSJQDTYFLOKMG-IUODEOHRSA-N 320.418 3.322 0 40 DGAB O=C(CSc1ncccc1C(=O)O)Nc1ccc(Cl)cc1 6220399 HYLJNOFYTGTZOD-UHFFFAOYSA-N 322.773 3.164 0 40 DGAB Cc1cccc(N2C(=O)/C(=C\c3cccs3)NC2=S)c1 6401375 LXOODCXYPNNZCU-UKTHLTGXSA-N 300.408 3.319 0 40 DGAB CCCCn1nnnc1NCc1c(OC)ccc2ccccc12 7262104 MOMLPPPKTGWCHO-UHFFFAOYSA-N 311.389 3.247 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)o1 7746441 KGEFZZVTWCTPPL-PSOPSSQASA-N 307.390 3.137 0 40 DGAB Cc1cc(S[C@@H](C)C(=O)NCc2ccco2)nc(C(C)C)n1 8775236 FONPQULXDIVMPF-LBPRGKRZSA-N 319.430 3.298 0 40 DGAB CSc1cccc(NC(=O)/C=C/c2c(C)nn(C)c2C)c1 9494208 DKYYGNFUUCBGSR-CMDGGOBGSA-N 301.415 3.411 0 40 DGAB CC(C)CCC[C@@H](C)NC(=O)CCNC(=O)c1ccccc1 10473879 BTWVDBGGLAUHNG-OAHLLOKOSA-N 304.434 3.138 0 40 DGAB O=c1[nH]c(SCCCCOc2ccccc2)nc2c1CCC2 11905486 ZSANBRCRDZWZET-UHFFFAOYSA-N 316.426 3.210 0 40 DGAB COc1ccccc1C[C@@H](C)NC(=O)c1csc(C(C)=O)c1 12196994 MFRDEPOGCTXQQP-LLVKDONJSA-N 317.410 3.320 0 40 DGAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1ccc(F)cc1 12919443 YTGQQXZHLYSAAK-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB Cc1ccc([C@H](NCCc2ccccc2)P(=O)(O)O)s1 12949520 FKVUOZZMUQSDID-CQSZACIVSA-N 311.343 3.065 0 40 DGAB O=C1C[C@H](c2cccc(F)c2)c2c(c3ccccc3[nH]c2=O)O1 13571361 LFXSLAPNGXZTTQ-CYBMUJFWSA-N 309.296 3.108 0 40 DGAB COc1cc2c(c(OC)c1)-c1cc(OC)c(OC)cc1CC2 14650938 IQOUQPBWTJSPDL-UHFFFAOYSA-N 300.354 3.487 0 40 DGAB biogenic,in-vitro COc1ccc(-c2nc(CNC(=O)c3ccco3)cs2)cc1 15832668 JBSUYAIKXRUQBS-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc(-n2ccnc2)cc1 18048238 FGDYSZDXXBJORZ-CQSZACIVSA-N 323.371 3.431 0 40 DGAB O=C1CCCC[C@@H]2[C@@H](N1)[C@H](c1cccc(F)c1)CN2CC1CC1 19712709 IJGPULUVUAQGIL-SCTDSRPQSA-N 316.420 3.062 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)Nc2ccccc21 21891790 SPHLCSSGPZYSMY-SWLSCSKDSA-N 306.365 3.090 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)o1 22246119 ALSZFQQAWCIOQR-XHDPSFHLSA-N 323.389 3.363 0 40 DGAB Cc1cccc2c1N[C@H](c1cnn(Cc3ccccc3)c1)NC2=O 28923743 BSPAUPIGFFCWAS-SFHVURJKSA-N 318.380 3.094 0 40 DGAB Cc1ccc(CC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1C 32788759 WUFCBSKHBHQKJF-UHFFFAOYSA-N 322.408 3.377 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cc(-c2ccccc2)no1 32913601 VCPCALMSXPBCGW-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)Nc2ccccc2F)n1 33146330 AQBJUWHMTNNQQD-UHFFFAOYSA-N 305.353 3.468 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3ccccc3)no2)s1 33149153 KZTQXXCQHJOMKG-UHFFFAOYSA-N 300.343 3.008 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 50081855 FDOLMEVQKWLURX-MCIONIFRSA-N 305.422 3.220 0 40 DGAB Cc1cn(CC(=O)Nc2cccc(NC(N)=O)c2)c2ccccc12 50557460 XLDIISYTCXDONA-UHFFFAOYSA-N 322.368 3.079 0 40 DGAB c1cnc(NCc2ccc(N3CCc4ccccc4C3)nc2)nc1 52409651 UDTLTSHVBPAQIU-UHFFFAOYSA-N 317.396 3.046 0 40 DGAB O=C(NCc1ccco1)N1CCC(c2nc3ccccc3[nH]2)CC1 54926400 GZFCVYINHQSVCW-UHFFFAOYSA-N 324.384 3.245 0 40 DGAB Cc1noc([C@H](C)N2CCC(COc3ccccc3)CC2)n1 55081227 HWYQLXYIVPRQFO-ZDUSSCGKSA-N 301.390 3.230 0 40 DGAB COc1cccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)c1 55546889 BHHLAHXMQCFJRR-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB O=C(Nc1ccc(-c2cc[nH]n2)cc1)c1noc2c1CCCC2 57155282 BZUWBNDKHURLFV-UHFFFAOYSA-N 308.341 3.196 0 40 DGAB CCc1nnsc1C(=O)Nc1ccc2c(ccn2CC)c1 58290472 QVTVJXLGJAFANX-UHFFFAOYSA-N 300.387 3.327 0 40 DGAB CN(c1ccc(Cl)cn1)S(=O)(=O)c1cccc(Cl)c1 66582210 FFBWPVNPSDDEEN-UHFFFAOYSA-N 317.197 3.214 0 40 DGAB Cn1c(=O)oc2cc(NC(=O)[C@H]3CCCc4ccccc43)ccc21 69451818 LEJNRGOMPIGJRD-HNNXBMFYSA-N 322.364 3.190 0 40 DGAB Cn1cnc2c1CCN(CCOc1cccc3ccccc13)C2 69632904 QUMVIAYHZYLPEX-UHFFFAOYSA-N 307.397 3.010 0 40 DGAB O=C1CC[C@H](CNc2ncnc3sc(-c4ccccc4)cc23)N1 69773342 QPQLBLQMBUMXQU-GFCCVEGCSA-N 324.409 3.049 0 40 DGAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 69845545 FSKKYLXMHPPVGJ-ZJUUUORDSA-N 313.348 3.049 0 40 DGAB Cc1cccc(C(=O)N2CCO[C@H](c3ccccc3Cl)C2)n1 69892994 LGCXQKHGIQKBQG-INIZCTEOSA-N 316.788 3.257 0 40 DGAB CCc1ccc([C@H](NC(=O)CCc2cnn(C)c2)C(C)(C)C)o1 71070791 FIGGIWGNBTWLLD-KRWDZBQOSA-N 317.433 3.412 0 40 DGAB Cc1occc1C(=O)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 71888500 DTEXMTIQUOUENY-KRWDZBQOSA-N 317.360 3.313 0 40 DGAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)NCC1CC1 71922250 RKKBEZVZVMNXQY-UHFFFAOYSA-N 320.343 3.050 0 40 DGAB CC[C@@](C)(NC(=O)NCc1nc(C)c(C)s1)c1nccs1 74919114 HMWPOXXMKHVKPY-CQSZACIVSA-N 324.475 3.341 0 40 DGAB O=C1C[C@H](CNc2ncnc3ccc(F)cc23)c2ccccc2N1 75094623 HBEQIIZBQJVJHV-LLVKDONJSA-N 322.343 3.307 0 40 DGAB C[C@H](CC(=O)Nc1ccccc1)NCCc1ccccc1F 75568156 FLVOGVOMVYQBEC-CQSZACIVSA-N 300.377 3.375 0 40 DGAB Cc1cccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@H]2C)c1C 76057627 OYPCQRXTAUCZHO-QAPCUYQASA-N 302.462 3.286 0 40 DGAB CC(C)C[C@H](C(=O)N[C@H]1CCC[C@H](C)C1)N1CCCCC1=O 79069199 KBWXWNWCMJXFMJ-HRCADAONSA-N 308.466 3.109 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@@H]1C[C@H]1c1ccccc1F 79114239 WFLBYXNTYPHQQN-UONOGXRCSA-N 323.371 3.464 0 40 DGAB Cc1nn(C)c2ncc(CSc3nc4ccccc4n3C)cc12 84067815 RTHDQGDCNGKFCP-UHFFFAOYSA-N 323.425 3.456 0 40 DGAB Cc1cnc(C[S@](=O)Cc2cc(-c3cccs3)on2)o1 85225431 DWTMSDAWFHCAEO-FQEVSTJZSA-N 308.384 3.148 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)NCc2nc(C)c(C)o2)C1 89275089 HTEUBWJDKLGKNC-QWHCGFSZSA-N 311.451 3.155 0 40 DGAB CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@@H]2c2ccc(F)cc2)cc1 89319392 RQTHZGCIUWMYQZ-QZTJIDSGSA-N 312.388 3.173 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccnc(-n3ccnc3)c2)cc1C 89944080 CPVKSHQFCBGXBL-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB CCCNC(=O)CCCC(=O)N1CCC[C@H]1c1cccc(F)c1 89960177 FQIZBYRAJXMNEH-INIZCTEOSA-N 320.408 3.186 0 40 DGAB Cc1ccc([C@@H](C)N[C@H](C)Cn2ncc3ccccc3c2=O)o1 90937981 YSOPFTAXKUVMQR-TZMCWYRMSA-N 311.385 3.037 0 40 DGAB Cc1cc(NC(=O)CC[C@H]2CCCO2)ncc1Br 94063796 VFJRNQIGEDWABR-SNVBAGLBSA-N 313.195 3.050 0 40 DGAB C[C@H](Cc1cccc(F)c1)NC(=O)N(C)Cc1nccs1 95405665 KLWBWUBDKYXPBO-LLVKDONJSA-N 307.394 3.055 0 40 DGAB Cc1ccc(CNC(=O)CN2CCC(Cl)=C(Cl)C2)cc1 95466684 FNNSTLGGGLDJPC-UHFFFAOYSA-N 313.228 3.006 0 40 DGAB O=S(=O)(C1=Cc2ccccc2CC1)N1C[C@H]2CC=CC[C@@H]2C1 95961880 UWKONTTXQKPXGU-IAGOWNOFSA-N 315.438 3.202 0 40 DGAB CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)nn1C 95969676 HMXVXNZWCZVUHC-UHFFFAOYSA-N 321.764 3.147 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)nc1)c1nc2c(s1)CCCC2 96422381 DTBYHRFJYDTAEP-SECBINFHSA-N 305.378 3.047 0 40 DGAB Cc1ccc(CNc2ccc([C@@H](O)c3nccn3C)cc2)s1 96482766 ROKJIRBUQSIIKT-MRXNPFEDSA-N 313.426 3.484 0 40 DGAB COC(=O)c1sc(C)cc1OCc1cccc2c1OCCO2 97011128 MSNSZHVKBAYVBP-UHFFFAOYSA-N 320.366 3.193 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)C1(c2cccs2)CCCCC1 110680802 VKMNQRGCXRUHTL-MGPQQGTHSA-N 305.443 3.386 0 40 DGAB CNC(=O)c1cccc(CN[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 129218265 RLDUFMIBRFXVRI-KGLIPLIRSA-N 314.351 3.257 0 40 DGAB CCNc1nnc(SCc2cccc(C(=O)OC)c2)s1 198508283 QFTYSJFJJWUQJU-UHFFFAOYSA-N 309.416 3.049 0 40 DGAB CC(C)(C)OC(=O)[C@H](N)Cc1ccc(F)cc1C(F)(F)F 199831769 YYGGFTKOLVBOCY-LLVKDONJSA-N 307.287 3.056 0 40 DGAB Cc1c(Cl)cnc(NC(=S)NC2CC2)c1Br 224030131 ZFPUMRNPCNCOHU-UHFFFAOYSA-N 320.643 3.255 0 40 DGAB CCOc1ccc(-c2noc(-c3ccc(OC)c(N)c3)n2)cc1 225172757 VYJQPEZYXPHOBV-UHFFFAOYSA-N 311.341 3.393 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(C)c(C)c2)cc1C 225177597 VHBBULKPLHMTSI-UHFFFAOYSA-N 313.397 3.429 0 40 DGAB CCSc1nnc(NC(=O)Cc2cc(C)ccc2C)s1 225455451 GKVJLBNGQBUFJN-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB CC(C)n1cc(C(=O)Nc2ccc(Br)cc2O)cn1 225533947 AHZUWUCKPYLRMN-UHFFFAOYSA-N 324.178 3.184 0 40 DGAB COc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1C 225718885 OZOVCVJJQOSKGR-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCSC2CCCC2)c1 225811315 YUOFUDXSNGTBKU-UHFFFAOYSA-N 307.459 3.474 0 40 DGAB O=C(CC1CCCC1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257224839 FDQKXTWZGGLFDI-OAHLLOKOSA-N 312.417 3.244 0 40 DGAB C1=C(CN2CCC[C@@H](c3ccncn3)C2)COc2ccccc21 257251698 JRVIUOWKYYOHDP-QGZVFWFLSA-N 307.397 3.132 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257253573 JZKVRSLWGCXFFU-OAHLLOKOSA-N 320.396 3.204 0 40 DGAB c1ccc2nc(CN3CCC[C@H](Cc4ccn[nH]4)C3)ccc2c1 257293641 QQNASELKMJNESL-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB COc1ccc(CCC(=O)N2CC[C@@H](c3cccnc3)C2)cc1 517237892 UASUZSUDJGKFLO-QGZVFWFLSA-N 310.397 3.039 0 40 DGAB CC(C)Cn1nccc1C(=O)NCc1ccc2ccccc2n1 574204629 BGTRYMWUUJUJSK-UHFFFAOYSA-N 308.385 3.017 0 40 DGAB Cc1[nH]nc2ncc(NC(=O)[C@H]3CC[C@@H](c4ccccc4)O3)cc12 585084340 FGQMLTXYMPZQQD-JKSUJKDBSA-N 322.368 3.125 0 40 DGAB COc1ccccc1N1CCC(NC/C=C/c2ccccn2)CC1 585141381 VAKXDIMPYHNCGC-SOFGYWHQSA-N 323.440 3.362 0 40 DGAB OC1(COc2ccccc2F)CCN(C2CCCCC2)CC1 585281769 RDAHEFHSUTWVNM-UHFFFAOYSA-N 307.409 3.364 0 40 DGAB Cc1cc(NC(=O)Cc2cccnc2C)nc(-c2ccccc2)n1 1525111887 CWYCBJQFTSBWNA-UHFFFAOYSA-N 318.380 3.337 0 40 DGAB CC(C)c1cc(C(=O)NC[C@@H]2CCc3ccccc3C2)cc(O)n1 1583720649 FIKMJPLWXBZUQX-CQSZACIVSA-N 324.424 3.446 0 40 DGAB CO[C@H](CNc1ncnc2cnccc12)c1ccccc1Cl 1775971485 PNTYWMUAKJTXKH-OAHLLOKOSA-N 314.776 3.478 0 40 DGAB FC(F)(F)c1cccc2nnc(C(F)(F)Br)n12 1848350276 LIVCPOYHAKXNFF-UHFFFAOYSA-N 316.027 3.192 0 40 DGAB Cc1ncnc(C(=O)Nc2ccc(Br)cc2)c1C 1889133866 OBCRHSLSYHNADP-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2ccc3ccccc3n2)CC1 2087130919 NLYQDKCSXLPOEN-UHFFFAOYSA-N 311.429 3.366 0 40 DGAB Cc1cccc(OCC(=O)Nc2nc3ccccc3n2C)c1C 32673 UNKZIOZGAOHELH-UHFFFAOYSA-N 309.369 3.208 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N1CCS[C@@H]1c1ccccc1 114565 TWLFQTBZLZCCLN-OAHLLOKOSA-N 323.414 3.262 0 40 DGAB COc1ccc(-n2nnnc2-c2c[nH]c3ccc(C)cc23)cc1 157524 YAHJKZFIUGIYGE-UHFFFAOYSA-N 305.341 3.128 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)N2CCCC[C@H]2C)o1 2662841 YWMILLCFXYKZMI-SNVBAGLBSA-N 321.402 3.131 0 40 DGAB CCOC(=O)[C@]1(CCOCc2ccccc2)CCCCC1=O 1679125 SGHQTKVYSLDCAQ-SFHVURJKSA-N 304.386 3.286 0 40 DGAB Cc1ccc2c(c1C)OC[C@H]2NC(=O)Cc1noc2ccccc12 77295647 JUPNPSWLEGVQJJ-MRXNPFEDSA-N 322.364 3.237 0 40 DGAB C[C@@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](O)[C@@H]2O)CC1=O 4758361 AOBJJIQCLHDHTP-BEAHZSMWSA-N 320.473 3.176 0 40 DGAB COc1c(Cl)cc(Cl)cc1C(=S)N1CCOCC1 6145494 HIYDHDGWSGWZJK-UHFFFAOYSA-N 306.214 3.010 0 40 DGAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccco2)N3)C1 6205607 WPABIOSYIGEKBR-ZDUSSCGKSA-N 303.387 3.148 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)c1 7007645 LSMRYOJBUVLCQT-BFHYXJOUSA-N 317.385 3.003 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1F 8041355 WTUNLCLNHBCIHR-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB O=C(Nc1cccc(CN2CCCC2)c1)c1cn2ccccc2n1 47452205 OUEJQOSREJEUOJ-UHFFFAOYSA-N 320.396 3.182 0 40 DGAB O=C(Nc1ccccn1)c1cc(C2CC2)nn1-c1ccccc1 12522473 ZPEWDJKWTULIIP-UHFFFAOYSA-N 304.353 3.397 0 40 DGAB CC(C)Cc1noc(CNc2ccc(-n3cccn3)c(F)c2)n1 55879060 WFBQJAGKTZWBBV-UHFFFAOYSA-N 315.352 3.205 0 40 DGAB COc1ccc(NC(=O)c2ccc(N(C)C)cc2)c(OC)c1 12545293 GJZUWRCJQAUXFB-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4CC(=O)[C@@H](CO)C[C@@]43C)[C@@H]1CC[C@@H]2O 118924766 OKOKLFXLKDXQOK-RFMGOVQKSA-N 320.473 3.178 0 40 DGAB CCCc1noc([C@H](C)Nc2ccc3c(c2)CCN3C(C)=O)n1 26984259 QIEZZENZISNKTN-NSHDSACASA-N 314.389 3.104 0 40 DGAB C[C@@H](Nc1ncnc2[nH]cnc12)c1ccccc1OC(F)F 58172044 RDPVXXWXWBQTSR-MRVPVSSYSA-N 305.288 3.127 0 40 DGAB Cc1ccc(CNC(=O)[C@H](C)Sc2nccn2C2CC2)cc1 12647077 PYWZOIFSCKPYSN-ZDUSSCGKSA-N 315.442 3.323 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)c(C)s1 58364948 DJUCIQSNZFSVHI-UHFFFAOYSA-N 306.387 3.484 0 40 DGAB C[C@H]1COCCN1C(=O)Cc1coc2ccc3ccccc3c12 58377710 GTJRYCYEIWHXKM-ZDUSSCGKSA-N 309.365 3.376 0 40 DGAB Cc1ccc(-c2noc(-c3cccn3CC(=O)NC(C)C)n2)cc1 57486862 WPPQLWYPTORNAD-UHFFFAOYSA-N 324.384 3.038 0 40 DGAB Cc1ccc(C)c(CC(=O)N2CCN(c3ccccc3)CC2)c1 10063888 XRMNXBZYSNENEC-UHFFFAOYSA-N 308.425 3.195 0 40 DGAB CCCC[C@@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCC2 28225597 MTVFUBZHYAHHJG-SNVBAGLBSA-N 308.447 3.491 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc3oc(C)nc3c2)c1 12747902 MTJMWICREBSMFU-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1cccc(F)c1 3402303 JKNTZOOEBSUHDL-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB CN(Cc1ccccc1F)[C@@H](C(=O)NC1CC1)c1ccccc1 12999511 WECJMUWMBGZDGG-GOSISDBHSA-N 312.388 3.277 0 40 DGAB COc1cccc(C(=O)Nc2ccc3oc(C)nc3c2)c1OC 12995328 BYPHLDBMDZOXBT-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB CCC(C)(C)NCC(=O)Nc1cc(OC)c(Cl)cc1OC 13015829 PSYHKWAOQOEEHZ-UHFFFAOYSA-N 314.813 3.074 0 40 DGAB CN(C(=O)COc1cc(-c2ccccc2)nn1C)c1ccccc1 4091672 SYPSCNWOSPBPLU-UHFFFAOYSA-N 321.380 3.129 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C)c(O)c(C(=O)O)c2)cc1 20141689 RZUGAZMIYOPDAS-UHFFFAOYSA-N 315.325 3.050 0 40 DGAB C[C@@H](NC(=O)COCc1nc2ccccc2s1)c1ccco1 39517279 FVXZRSPGYSLLAQ-LLVKDONJSA-N 316.382 3.283 0 40 DGAB CC(=O)N(Cc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O 9233966 ZEHQKAQZLSMRQU-UHFFFAOYSA-N 320.392 3.385 0 40 DGAB C[C@H](Sc1nccn1C)C(=O)N[C@H]1CCCc2ccccc21 5359413 HBCXOMCCIIVBTL-WFASDCNBSA-N 315.442 3.095 0 40 DGAB O=C(Cc1coc2cc3c(cc12)CCC3)OCC(=O)c1ccc[nH]1 6609755 GRAWUTTVNCEVGA-UHFFFAOYSA-N 323.348 3.218 0 40 DGAB O=c1c(Cl)c(NC2CCCC2)cnn1Cc1ccccc1 15208378 KGQYZQMFXDLFCQ-UHFFFAOYSA-N 303.793 3.300 0 40 DGAB Cc1ccccc1CNC(=O)COC(=O)c1ccccc1Cl 7098460 ZAUWRAZJBDZPHG-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1 68251173 ODQNNMYBXSXZBL-KGLIPLIRSA-N 322.368 3.181 0 40 DGAB CO[C@@H](C(=O)Nc1cccc(-c2ncc[nH]2)c1)c1ccccc1 96411641 SRIWNJKYEIIXAQ-MRXNPFEDSA-N 307.353 3.403 0 40 DGAB c1nc(CNc2nc3cc4c(cc3s2)OCCO4)cs1 97045321 TZQVFHAXSJFGDF-UHFFFAOYSA-N 305.384 3.136 0 40 DGAB CCCC(=O)Nc1ccc(Cl)c(NCc2noc(C)n2)c1 97022756 OBACVCJJLJLHME-UHFFFAOYSA-N 308.769 3.382 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)[S@@](=O)Cc1cccc(Cl)c1 71858990 MSUQCIOHXFVHRB-PRWKNARSSA-N 313.850 3.036 0 40 DGAB Cc1c(C(=O)OCc2ccc(C(N)=O)cc2)oc2ccccc12 16812441 QTPUQVCVHVJCAE-UHFFFAOYSA-N 309.321 3.197 0 40 DGAB NC(=O)c1ccc(OCCCOc2ccc(Cl)cc2)cc1 8286480 FWWDWYBGRUVENP-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CC(=O)c1ccc(OCCCn2c(=O)[nH]c3ccccc32)cc1 8328900 HFWBEJMBYHTCGH-UHFFFAOYSA-N 310.353 3.001 0 40 DGAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCN1CC(C)C 72219628 HZWYXXVMIJRDQH-KRWDZBQOSA-N 303.450 3.020 0 40 DGAB CS(=O)(=O)Cc1ccc(-c2nc(-c3ccsc3)no2)cc1 69816532 IDUZMJFICFHGGR-UHFFFAOYSA-N 320.395 3.010 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N2CCC[C@H]2c2ccc[nH]2)cc1 71997157 LYQAOGHTBRCNPM-GUYCJALGSA-N 314.385 3.154 0 40 DGAB CC1(C)[C@H]2CCCC[C@H]2[C@@H]1NCc1ccccc1OCCO 97019967 YQTRMFURLKUSQT-RYRKJORJSA-N 303.446 3.362 0 40 DGAB CN(Cc1nc2c(s1)CCC2)[C@@H](CCO)c1ccccc1 97033950 UJTBFEOULKNYLX-HNNXBMFYSA-N 302.443 3.187 0 40 DGAB Cc1cccc(NC(=O)NCC2([C@@H](O)c3ccccc3)CC2)n1 97378562 XZSYZUXQXKMAOW-INIZCTEOSA-N 311.385 3.025 0 40 DGAB Cc1nc(-c2ccc(NC(=O)c3ccco3)cc2Cl)n[nH]1 95463300 NPFYBKMWZSINJK-UHFFFAOYSA-N 302.721 3.279 0 40 DGAB O=C(c1cscn1)N1CCC(Oc2ccccc2Cl)CC1 95436379 BVZNZQTYKIXELV-UHFFFAOYSA-N 322.817 3.480 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2ncccc2C)C1 95411253 REIVQHQQDYCKRB-ZIAGYGMSSA-N 307.463 3.206 0 40 DGAB CC(=O)NC1CCN(c2ccc3c(Cl)ccc(C)c3n2)CC1 95985552 PVNCGARCVYIDNP-UHFFFAOYSA-N 317.820 3.302 0 40 DGAB COc1ccccc1[C@@H](C)N(C)Cc1cc(C(N)=O)cs1 95982495 LPLQIADEKFZUSH-LLVKDONJSA-N 304.415 3.049 0 40 DGAB CCSc1ccc(C(=O)N(C)[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cn1 75145106 DFXQDFWFUFGKAJ-YUELXQCFSA-N 320.458 3.079 0 40 DGAB O=C(/C=C/c1cccc(F)c1)NCc1ccc(-n2cccn2)cc1 32925614 JYWCDXNQHOKSAG-JXMROGBWSA-N 321.355 3.341 0 40 DGAB CC(C)N1C(=O)S/C(=C/c2ccc(Br)o2)C1=O 409021427 GVPWJGRJFNHBEI-VMPITWQZSA-N 316.176 3.487 0 40 DGAB CN1CC[C@@H](CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 123329831 BGAKGAYVBRNEFT-VIFPVBQESA-N 320.742 3.040 0 40 DGAB COc1ccc(NC(=O)CCC(=O)Nc2ccc(F)cc2)cc1 32579433 BRTGYWBYHQDWTC-UHFFFAOYSA-N 316.332 3.192 0 40 DGAB CCOc1ccccc1C(=O)NCc1ccc(-n2cccn2)cc1 32925603 WZSCFEDHYWWKRC-UHFFFAOYSA-N 321.380 3.201 0 40 DGAB COc1cc(CN(C)Cc2ccncc2)cc(Cl)c1OC 183749354 RULGVAIKBCTEIK-UHFFFAOYSA-N 306.793 3.384 0 40 DGAB Cc1csc2nc(CN3C[C@@H](C)c4ccccc43)cc(=O)n12 76994896 NBKJPPOQCHILPS-LLVKDONJSA-N 311.410 3.188 0 40 DGAB CSc1ccc(NCc2ccc(Cn3ccnc3)cc2)nn1 80948946 DSOGXFUCYNNTIO-UHFFFAOYSA-N 311.414 3.055 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)Cc2cccs2)cc1 225739529 AJXHSALYBUUZSK-UHFFFAOYSA-N 311.410 3.101 0 40 DGAB Cc1nc(CC2CC2)sc1C(=O)N(C)c1c(C)noc1C 195578806 CTTPBKUCBYPYRF-UHFFFAOYSA-N 305.403 3.285 0 40 DGAB CSC[C@H](C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 193399827 ZUCJBIWGODFHOM-ZDUSSCGKSA-N 322.474 3.413 0 40 DGAB CC(C)Cc1noc(COc2cncc(Br)c2)n1 96500745 VRZQHFMDOSIICX-UHFFFAOYSA-N 312.167 3.005 0 40 DGAB CCOc1ccccc1CN1CCCC[C@@H]1c1ccnc(N)n1 257207537 BIFBJMZXUPAHAM-MRXNPFEDSA-N 312.417 3.185 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)CCCn2ccnc2)C1 71915256 ZFKKJPBOPUVEGE-IAGOWNOFSA-N 311.429 3.376 0 40 DGAB O=c1[nH]c(-c2cnn(-c3cccc(Cl)c3)c2)nc2ccccc12 57771570 OQAJJQDPMVMRIR-UHFFFAOYSA-N 322.755 3.429 0 40 DGAB O=C(CNC(c1ccccc1)c1ccccc1)NCC(F)(F)F 58017850 MBDUJWCRMFRWFX-UHFFFAOYSA-N 322.330 3.044 0 40 DGAB CS[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 49344977 KEURRCGYEFBRAR-NEPJUHHUSA-N 312.866 3.034 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 105657354 TUNDSAYIPIRMJW-DOXZYTNZSA-N 324.428 3.212 0 40 DGAB CCC(CC)(CO)NC(=O)Nc1cccc(OC(F)F)c1C 72313641 CLZSLHDOOXMCEK-UHFFFAOYSA-N 316.348 3.269 0 40 DGAB Cc1nc(C)c(C(=O)N2CCS[C@@H](c3ccccc3)C2)o1 73797367 UUHFFXMSYHAGEO-CQSZACIVSA-N 302.399 3.222 0 40 DGAB c1ccc(Cn2ccnc2SCc2cn3ccccc3n2)nc1 75137804 SVYNCYHJNIGWED-UHFFFAOYSA-N 321.409 3.266 0 40 DGAB CC(C)N(C(=O)Cn1cc(Br)cn1)c1ccccc1 59851569 RKLNGGYGJRAOHM-UHFFFAOYSA-N 322.206 3.087 0 40 DGAB CC(C)[C@H](C(=O)O)[S@](=O)Cc1ccc(C(F)(F)F)cc1 97826608 LEEPCYDDRNDMJN-GIPWTMENSA-N 308.321 3.063 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)O)c(C)c1 13464581 OTUGGWVAUQJSHP-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CC(C)(C)C(=O)Nc1nc(CC(=O)NC2CCCCC2)cs1 9659437 ZRJMPFKYQKUWFA-UHFFFAOYSA-N 323.462 3.119 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccccc2F)N1 34925785 ZZOFBVFNKMNPIE-IAGOWNOFSA-N 324.355 3.084 0 40 DGAB in-vitro Cc1cnc([C@H]2CCCN2C(=O)c2c(C)oc3c2CCCC3)[nH]1 2037677103 REKSDLFOOBVXHN-CQSZACIVSA-N 313.401 3.476 0 40 DGAB CC(C)(CC(=O)N(Cc1ccccc1)CC1CCC1)C(=O)O 579519455 KUHKRJWYEDZPHY-UHFFFAOYSA-N 303.402 3.316 0 40 DGAB COCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 5743094 LRADHZXGIHBKHM-UHFFFAOYSA-N 310.305 3.012 0 40 DGAB CCCOc1nn(CCC)cc1C(=O)Nc1ccc(F)cc1 9070909 LIKFCXOUVOQVBW-UHFFFAOYSA-N 305.353 3.473 0 40 DGAB Fc1cccc(Nc2nc(-c3cccnc3)nc3c2CNCC3)c1 19293983 QZHPNTWFODIHGT-UHFFFAOYSA-N 321.359 3.067 0 40 DGAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nncs1 40141672 FLMSOWRXJAWTPB-JTQLQIEISA-N 305.403 3.242 0 40 DGAB O=C(Cn1c(/C=C/c2ccccc2)nc2ccccc21)NC1CC1 40300727 MHGURKXLBPYOFK-JLHYYAGUSA-N 317.392 3.485 0 40 DGAB O=C1Nc2cc(Cl)ccc2[C@@H]1Cc1ccc2c(c1)OCCO2 101666440 RFEJOFVDILVVCM-ZDUSSCGKSA-N 315.756 3.390 0 40 DGAB CC(=O)c1cc(C(=O)OCc2cc(-c3ccccc3)no2)n(C)c1 32865260 JPGDICDGZXHNSQ-UHFFFAOYSA-N 324.336 3.240 0 40 DGAB Cc1occc1C(=O)Nc1ccc(OCC(F)(F)F)nc1 32931162 ZBXQVJNLUIUUFV-UHFFFAOYSA-N 300.236 3.176 0 40 DGAB COc1ccc(C(=O)Nc2sc3c(c2C(=O)O)CCC3)cc1 227493 SQIZSWHUYWUFJS-UHFFFAOYSA-N 317.366 3.196 0 40 DGAB COc1ccc(C(=O)C2CC(C)(C)NC(C)(C)C2)cc1OC 323997 MPUKFTXHMOXQKO-UHFFFAOYSA-N 305.418 3.443 0 40 DGAB C[C@H]1CCCN(C(=O)CSc2nnc(-c3ccccc3)o2)C1 417802 ZDRHDSIRHFZQNW-LBPRGKRZSA-N 317.414 3.087 0 40 DGAB CN(C(=O)CCc1ccccc1)c1nnc(-c2ccncc2)s1 1356642 XULIGQGBDQBKET-UHFFFAOYSA-N 324.409 3.196 0 40 DGAB COc1ccc(C(=O)N(C)[C@@H](C)c2cc3ccccc3o2)nn1 78054638 OATQSNTYCRZBKP-NSHDSACASA-N 311.341 3.065 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)OCc2ccccc2)cc1 1698189 SKWPKMIEYAIIDN-UHFFFAOYSA-N 319.382 3.229 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1 78934133 AQVXEUVEFHTRBE-GDBMZVCRSA-N 307.459 3.425 0 40 DGAB Cc1cnc([C@H](C)NC(=O)N2CCc3cc(F)ccc3C2)s1 94005927 RCMFPDIZVTXCFT-NSHDSACASA-N 319.405 3.420 0 40 DGAB Cc1ccc(CN(C)CC(=O)Nc2ccc(F)cc2Cl)o1 6085814 JFNASTJPRJJABD-UHFFFAOYSA-N 310.756 3.451 0 40 DGAB CCc1n[nH]c(S[C@@H](C)C(=O)Nc2cccc(Cl)c2)n1 6168640 AOBWWAJEOMMGKU-QMMMGPOBSA-N 310.810 3.140 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)cc1 6314251 RYTUMJGCCRDTFW-GFCCVEGCSA-N 323.389 3.264 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C)cc1 7792624 QYIKJJPTEKTFSR-QAPCUYQASA-N 311.381 3.402 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2OC)cc1C 55546936 UENKOXBHSGXKFM-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1 71866853 XQBKSWYWCOJZRZ-CQSZACIVSA-N 315.442 3.047 0 40 DGAB COc1cc(CN[C@H](C)c2ccc(C)o2)cc2c1OCCO2 22794413 SBCNWYOGSFYOTK-GFCCVEGCSA-N 303.358 3.219 0 40 DGAB C[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 9253851 LRICPRSBXJDZRY-OAHLLOKOSA-N 320.801 3.369 0 40 DGAB Cc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)s1 28221435 JQOAGASHAANKNX-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20143777 UZQURCKYYOUGJR-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COCC(=O)NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 55227973 OHSCYFZCILVJCL-MRXNPFEDSA-N 308.381 3.062 0 40 DGAB O=C(OC/C=C/c1ccccc1)[C@@H]1CCCCN1c1ncccn1 43764847 KZLOGSBOVFNTMI-BHMZLHOFSA-N 323.396 3.092 0 40 DGAB O=C1C[C@H](C(=O)Nc2nc(C3CC3)cs2)c2ccccc2N1 26051981 QUMPMCDXAHVGRM-NSHDSACASA-N 313.382 3.085 0 40 DGAB Clc1cccc(-c2n[nH]cc2CN[C@@H]2C[C@H]3CC[C@H]2O3)c1 108356112 JHWKMSZPAMRZIT-RBSFLKMASA-N 303.793 3.140 0 40 DGAB CCCCN(CC)C(=O)c1cn(-c2ccc(Cl)cc2)nn1 57511393 GZVAJMJNIJNJQO-UHFFFAOYSA-N 306.797 3.183 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccccc1OC[C@@H]1CCCO1 10155652 HGQBWPAOTZWZHY-ZDUSSCGKSA-N 323.348 3.045 0 40 DGAB Cc1cc(C)nc(SCc2cc(O)n(-c3ccccc3)n2)n1 10157323 SUFASYOQAUXQNF-UHFFFAOYSA-N 312.398 3.277 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1ccccc1OC 20111209 MUKJZRCCIFRCHS-MRXNPFEDSA-N 313.397 3.477 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1ccc(F)cc1 175089256 PKGCXQJCQVWPLX-INIZCTEOSA-N 319.351 3.481 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCCNC(=O)c1ccco1 12770928 FTBMXDYRLRONBF-UHFFFAOYSA-N 320.776 3.390 0 40 DGAB CCn1nnnc1SCc1coc(-c2cccc(Cl)c2)n1 28964153 JEOSMIQRIOGOSD-UHFFFAOYSA-N 321.793 3.294 0 40 DGAB CCOc1cccc(CNC(=O)Cc2c[nH]c3ccccc23)c1 48377103 HPZJKJRZXAZPOF-UHFFFAOYSA-N 308.381 3.426 0 40 DGAB c1cnc(N2CCC(Nc3nccc4sccc34)CC2)nc1 48302659 BGXKVZWRQDXPBV-UHFFFAOYSA-N 311.414 3.167 0 40 DGAB Cc1ccc(C(=O)CN2CCN(c3ccc(F)cc3)CC2)cc1 49925609 KZSZKHKTGWJWDS-UHFFFAOYSA-N 312.388 3.139 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cccnc2SC)c1 5610415 YUMQZNPLYKFLFW-UHFFFAOYSA-N 316.382 3.151 0 40 DGAB Cc1nc(C(=O)N[C@@H]2CCCC[C@@H]2C)nn1-c1ccc(F)cc1 15191842 CWWXFIAAFIWRPO-XHDPSFHLSA-N 316.380 3.023 0 40 DGAB Cc1cc(F)ccc1NC(=O)c1cc(S(C)(=O)=O)ccc1C 7750060 MYRFOHQYVRBIMN-UHFFFAOYSA-N 321.373 3.098 0 40 DGAB Cc1[nH]c(SCC(=O)N2CCCC2)nc1Cc1ccccc1 8394901 AAFPKTZCOXYGJB-UHFFFAOYSA-N 315.442 3.023 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H](n3cccn3)C2)c(C)o1 69432644 SQVHBIMYCIGUEE-HIFRSBDPSA-N 301.390 3.060 0 40 DGAB Cc1ccc([C@H](NCc2cnn(-c3ccccc3)c2)C(=O)O)cc1 97235198 MNJOGNHLYWAOKH-SFHVURJKSA-N 321.380 3.096 0 40 DGAB C[C@H](NC[C@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 97038995 VPZBWVWQRPQORI-ZFWWWQNUSA-N 317.385 3.006 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)N1CC[C@H](Oc2cccnc2)C1 84490424 XJAADFDCYDEGSW-AWEZNQCLSA-N 322.368 3.248 0 40 DGAB O=C(Nc1ccncc1F)N[C@H]1CCC[C@@H](C(F)(F)F)C1 97135775 QFNSBOXXMNYMHW-BDAKNGLRSA-N 305.275 3.463 0 40 DGAB O=S(=O)(NCc1ccoc1)c1ccccc1-c1ccccc1 84562881 DLEPXRZZBKSVHI-UHFFFAOYSA-N 313.378 3.425 0 40 DGAB CS[C@H]1CCC[C@H]1N(C)CC(=O)Nc1cccc(C(C)=O)c1 72896490 LFQOHPIILKAARM-CVEARBPZSA-N 320.458 3.044 0 40 DGAB Cn1c(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cccc1=O 95441094 GUVWSPHDDJZQIZ-SFHVURJKSA-N 310.397 3.047 0 40 DGAB CC(C)[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)N1CCCC1 95948017 KERIXQYBHYRYPB-GFCCVEGCSA-N 315.822 3.205 0 40 DGAB Cc1ncccc1CN[C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95988576 SDARCUPRKCHXFG-IAGOWNOFSA-N 304.340 3.288 0 40 DGAB Cc1noc2ncc(NCc3ccccc3-n3cccn3)cc12 95943683 BRUNIVUNZVIYSA-UHFFFAOYSA-N 305.341 3.329 0 40 DGAB COc1ccccc1CCNC(=O)c1cc2c(s1)CCC2 23911336 YPYIDPQBIQEJFG-UHFFFAOYSA-N 301.411 3.218 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@@H](C)Sc2ccccn2)c1 9967717 XIDNKSSANDQYMJ-LLVKDONJSA-N 318.398 3.218 0 40 DGAB CCc1sc(C(=O)O[C@@H](C)C(=O)NCc2ccco2)cc1C 39579826 CHBUORFRPRMBGF-NSHDSACASA-N 321.398 3.074 0 40 DGAB CCn1nncc1CN[C@@H]1CC=C(c2ccc(F)cc2)CC1 417962060 BUPSWAHAOAUNFG-MRXNPFEDSA-N 300.381 3.163 0 40 DGAB Cc1noc2ncc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc12 180546931 SOYAAZGQQVZLFR-UHFFFAOYSA-N 322.246 3.197 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)[C@H](c1ccccc1)n1cccc1 62021899 YPDLDYSFYYIPJF-SFHVURJKSA-N 320.348 3.445 0 40 DGAB CC(C)[C@H](N[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F 182136758 ARZOXSNVATYEHM-YGRLFVJLSA-N 321.845 3.199 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2Cl)cc1 72228083 DWEZHNPWWDMAAM-HOTGVXAUSA-N 316.788 3.154 0 40 DGAB Cc1cc(I)ccc1-c1ccc(CO)o1 216768585 MRROMTIYOSOOEB-UHFFFAOYSA-N 314.122 3.352 0 40 DGAB CC(C)CNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226752775 JQLWIBYFSIBIQG-UHFFFAOYSA-N 311.307 3.277 0 40 DGAB CCOc1c(Cl)cccc1Cc1nc(-c2cnccn2)no1 191323207 XFPKCFZZTYSYOU-UHFFFAOYSA-N 316.748 3.170 0 40 DGAB CCCCCNC(=S)Nc1ccc(N2CCCC2=O)cc1 225378713 HQSXIQKFMGLNJE-UHFFFAOYSA-N 305.447 3.290 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(C)cc1I 225007899 DYWAADXYEHUPPN-SECBINFHSA-N 317.170 3.128 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC=C(c2ccccc2)C1 225458272 LKAQUBAYCWUMAT-CQSZACIVSA-N 324.428 3.288 0 40 DGAB CN(Cc1ccsc1)C(=O)NCCCOCc1ccccc1 40069035 PXPCNTKKNBPTCK-UHFFFAOYSA-N 318.442 3.496 0 40 DGAB COc1ccc(CC[S@@](=O)Cc2ccc(F)c(F)c2)cc1 190797859 CQTOBXNNTRCHRW-OAQYLSRUSA-N 310.365 3.465 0 40 DGAB CN1Cc2ccccc2CC2(CCN(Cc3ccoc3)CC2)C1=O 96161295 DUFXEXSSKJLCNU-UHFFFAOYSA-N 324.424 3.077 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N1CCC[C@H]1c1cccnc1 96410944 XSQWATQKRMPGSI-IRXDYDNUSA-N 302.418 3.483 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)c2ccc(F)cc2Cl)CC1 95420812 JONKFXLKMJSEGO-JTQLQIEISA-N 314.788 3.361 0 40 DGAB C[C@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1F 96439960 WXOWDFIZQJMHHF-GHMZBOCLSA-N 323.393 3.110 0 40 DGAB C[C@@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1nccs1 96439970 IZEHDCAHQVZQES-HIFRSBDPSA-N 315.442 3.478 0 40 DGAB FC(F)(F)c1ccc2nc(N3CCNCC3)cc(Cl)c2c1 90484438 DXUNVBWEXDUVSF-UHFFFAOYSA-N 315.726 3.317 0 40 DGAB C[C@@H]1CCCCN1C[C@@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 245253866 IALISDBBGAHRTK-BCDMZGRMSA-N 309.494 3.453 0 40 DGAB O=C(c1ccccc1)N1CC[C@@H](CN(CC2CC2)C2CCC2)C1 253392411 BKGSFEJAPXWKJB-QGZVFWFLSA-N 312.457 3.413 0 40 DGAB COc1ccnc(CC(=O)Nc2ccc(OC(C)C)cc2F)c1 252478410 ALVPDYNTNDOORJ-UHFFFAOYSA-N 318.348 3.198 0 40 DGAB CCOc1ccc(CNCc2ccn(CC(F)(F)F)n2)cc1 256053978 UKUILKJMLFVZQN-UHFFFAOYSA-N 313.323 3.134 0 40 DGAB Cc1cc(-c2ncn([C@@H]3CCCCO3)n2)ncc1Br 642882459 BNVPICXADASGON-LBPRGKRZSA-N 323.194 3.110 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1cccc(OC)c1)CC2 585104484 JAYKSCOXUWJHAB-QGZVFWFLSA-N 319.445 3.103 0 40 DGAB CC(C)N1CCC2(CC1)OCC[C@H]2CCOCc1ccncc1 585103632 CCLXBGAFAALLBK-GOSISDBHSA-N 318.461 3.268 0 40 DGAB CCSc1ccccc1NC(=O)NCCCn1ccnc1 47856139 IBHUBXJENYPRIL-UHFFFAOYSA-N 304.419 3.207 0 40 DGAB CN(Cc1cccc(F)c1)Cc1cc(=O)oc2cc(O)ccc12 57332210 DZCRYWKCFCOYQL-UHFFFAOYSA-N 313.328 3.270 0 40 DGAB Cc1cc(N2CCN(Cc3ccncc3)CC2)c2ccccc2n1 89583048 CSXADDSIIOIBRP-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB NC(=O)[C@@H](c1ccccc1)C(O)(c1ccccc1)c1ccccc1 2036400 FENCJTICALSGLA-LJQANCHMSA-N 317.388 3.192 0 40 DGAB O=Cc1cc(C(F)(F)F)ccc1S(=O)(=O)c1ccccc1 15443097 CZJZGHSIAGQDOQ-UHFFFAOYSA-N 314.284 3.351 0 40 DGAB CC[C@H](NC(=O)c1cnc(SC)nc1)c1ccc(F)cc1 12199963 MRLNRAPEIIHQMW-ZDUSSCGKSA-N 305.378 3.219 0 40 DGAB Oc1cc(COc2ccccc2)nn1-c1nc2ccccc2[nH]1 14607927 DXPPWULYGJGVBC-UHFFFAOYSA-N 306.325 3.033 0 40 DGAB Cc1ccc(OCCN(C)CC(=O)N[C@H]2CCCC[C@H]2C)cc1 15102630 CSYYJUABWPZDKN-AEFFLSMTSA-N 318.461 3.001 0 40 DGAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c(C)c1 19937207 WJIQOYFTUDTZBF-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB CCOc1ccc(NC(=O)COc2ccc(CC)cc2)c(N)c1 226358716 YOMBGZCCKRALFK-UHFFFAOYSA-N 314.385 3.247 0 40 DGAB Cc1cccc(-n2ccnc2SCCN2CCOC2=O)c1C 29390729 TUSQMTUTKDCMCB-UHFFFAOYSA-N 317.414 3.033 0 40 DGAB O=S(=O)(NCc1ccco1)c1cc(Cl)sc1Cl 14181189 QVOZDRUCBXRQTI-UHFFFAOYSA-N 312.199 3.126 0 40 DGAB Clc1cnccc1OCC1CCN(Cc2ccncc2)CC1 1848573038 ZZSXKYCMSLMRIP-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB Cc1ccc(O[C@@H]2CCN(C(=O)CSC3CCCC3)C2)nc1 238942627 WCYOCWZGVIIZSC-CQSZACIVSA-N 320.458 3.046 0 40 DGAB CN1CCN(c2[nH]c3cccc4c3c2-c2ccccc2C4=O)CC1 96336460 PPRNBJKRRQZMCW-UHFFFAOYSA-N 317.392 3.131 0 40 DGAB CN1CCCC[C@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 1565545287 FAFQBCNZIJDBCQ-PKOBYXMFSA-N 304.478 3.456 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](CO)c1ccc(OC(F)(F)F)cc1 1565504948 YBVYDJCKBXFJOI-NSHDSACASA-N 321.295 3.143 0 40 DGAB Cc1ccc([C@H](CNC(=O)Cc2ccc(F)cc2)N(C)C)cc1 10328879 LWNLMCFXYHVUEK-SFHVURJKSA-N 314.404 3.096 0 40 DGAB c1nc(C2CC2)cc(N2CCC[C@H](COc3nccs3)C2)n1 2298184000 IOUXFHMHZJPHEX-LBPRGKRZSA-N 316.430 3.106 0 40 DGAB Cc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)sc1C 30030789 ZASLFTSORFWKRW-MRXNPFEDSA-N 314.454 3.494 0 40 DGAB O=C(COCC1CC1)Nc1nc(-c2cc(F)ccc2F)cs1 40129253 GQVJEPNDOSXNGW-UHFFFAOYSA-N 324.352 3.453 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N1CCC([C@H](O)c2ccccc2)CC1 31269037 WLGDKKKWENKZEI-MRXNPFEDSA-N 318.804 3.254 0 40 DGAB COc1ccc2[nH]c(C(=O)N(C)Cc3ccco3)cc2c1OC 31206901 VRGBWCMOWKKDGR-UHFFFAOYSA-N 314.341 3.050 0 40 DGAB CC(C)c1noc([C@H](C)n2nnc(-c3ccc(Cl)cc3)n2)n1 31655499 DDFPJJOMLOKKIQ-VIFPVBQESA-N 318.768 3.109 0 40 DGAB CCCc1cc(C(=O)Nc2ccccc2Br)n(C)n1 385578 QNGFZJOZYXIVAZ-UHFFFAOYSA-N 322.206 3.387 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CN(Cc1cccs1)C1CC1 32778644 ZNZRALDFYZIBQB-BBRMVZONSA-N 306.475 3.407 0 40 DGAB CC[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 484043 VLYUWAUOVFWWAM-SECBINFHSA-N 318.398 3.207 0 40 DGAB O=C1N[C@@H](c2ccc(OC(F)(F)F)cc2)Nc2ccccc21 146016 JTZCSBLNJHKQPI-ZDUSSCGKSA-N 308.259 3.439 0 40 DGAB Cn1c(SCC(=O)OC2CCCCC2)nnc1-c1ccco1 411113 VAQQRBIDIDOQNX-UHFFFAOYSA-N 321.402 3.043 0 40 DGAB COC(=O)c1ccc(CNC(=O)Nc2ccc(F)cc2F)cc1 33040334 KYUZKNLLELRPTF-UHFFFAOYSA-N 320.295 3.073 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(F)c3)oc2c1 557370 YPKIZKUAESWZEX-UHFFFAOYSA-N 313.288 3.178 0 40 DGAB COc1ccc(-n2ncc3c(N4CCC(C)CC4)ncnc32)cc1 529414 WKGBBISQZMLDOJ-UHFFFAOYSA-N 323.400 3.060 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1 3426896 QYXRZGMGQATVHD-UHFFFAOYSA-N 303.383 3.307 0 40 DGAB COC(=O)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 6406585 NSEDNPQDIIAGTC-UHFFFAOYSA-N 317.366 3.136 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)NCc2ccccc2)c1 7560765 XHIWPXSKLHPZDD-UHFFFAOYSA-N 314.410 3.268 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCCc3cc(C)ccc32)s1 42663513 BFJIPHQDXLBNNC-UHFFFAOYSA-N 315.394 3.436 0 40 DGAB C[C@H](NC(=O)Cc1ccc(Br)cc1)c1cccnc1 12551962 CXFDTACHOMCPER-NSHDSACASA-N 319.202 3.264 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)o1 24330384 XKADEODIDUSUCG-ZDUSSCGKSA-N 310.357 3.002 0 40 DGAB O=C(CSc1nncc2ccccc12)Nc1cccc(F)c1 24754196 LTDSHRFWHBLUBW-UHFFFAOYSA-N 313.357 3.500 0 40 DGAB C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@H]1NC(=O)OC(C)(C)C 72293553 MEUHIWPWIBOXLB-UKRRQHHQSA-N 324.465 3.328 0 40 DGAB c1ccc(CCCN2CCN(CCc3ccccc3)CC2)cc1 34946822 YASKXVBOOYYZMJ-UHFFFAOYSA-N 308.469 3.480 0 40 DGAB NC(=O)[C@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 27042464 IITJWXZONPNPRD-MRXNPFEDSA-N 307.353 3.344 0 40 DGAB CN(Cc1cccc2ccccc12)c1cncc(-n2cccn2)n1 48287524 RXDQJMGPKZRAKH-UHFFFAOYSA-N 315.380 3.452 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)o1 48262310 BWXURKRRDOFSJC-BBRMVZONSA-N 323.396 3.043 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COc1cccc(-c2cn[nH]c2)c1 58279267 FHVNNYYOQVSBLT-DYVFJYSZSA-N 313.401 3.150 0 40 DGAB Cc1cc(C)c2sc(NCCCN3CCOCC3)nc2c1 26424102 BLKSQHCDBVCOPJ-UHFFFAOYSA-N 305.447 3.047 0 40 DGAB COc1cc(NC(=O)NCc2cccs2)ccc1NC(C)=O 48387298 XKURMVXFZQMBKB-UHFFFAOYSA-N 319.386 3.037 0 40 DGAB O=C(CCc1ccccc1F)Nc1nnc(C(F)F)s1 48356409 SAJKFLMALZMNMJ-UHFFFAOYSA-N 301.293 3.186 0 40 DGAB CC(=O)Nc1nc(CSC[C@H](O)c2ccccc2)cs1 49302612 HSSXFDMMLDZYML-ZDUSSCGKSA-N 308.428 3.068 0 40 DGAB Cn1c([C@H]2CC(=O)N(Cc3cccs3)C2)nc2ccccc21 9184798 JGVQOMMQZLMSOF-LBPRGKRZSA-N 311.410 3.151 0 40 DGAB CCOC(=O)c1c(CC)nn2c1N[C@H](c1ccc(Cl)cc1)C2 71328539 CVXXABBBXRWDHJ-ZDUSSCGKSA-N 319.792 3.442 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)s1 5110752 GWJHMUDTEPTXOE-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB CC(C)Oc1ccc([C@@H](CC(=O)NCCN(C)C)C(C)C)cc1 5271256 GMIKXXRLSLLYKQ-SFHVURJKSA-N 320.477 3.281 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc3oc(=O)ccc3c2)cc1 65607628 ZAGKUKAXBYIFLL-UHFFFAOYSA-N 324.336 3.123 0 40 DGAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccncc1 6571829 UQOSZHITIGWBEW-CQSZACIVSA-N 312.413 3.463 0 40 DGAB C[C@H](OC(=O)c1csc2c1CCCC2)C(=O)NC1CCCC1 5968347 KAFBBUODRWQVPL-NSHDSACASA-N 321.442 3.231 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccc(C)cc2)cc1 67208127 LCJPGNPZIOOCSD-OAHLLOKOSA-N 311.381 3.338 0 40 DGAB CCc1ccc(/N=c2\oc3c(OC)cccc3cc2C(N)=O)cc1 67292613 CRRRVHPNTVNZBW-VZCXRCSSSA-N 322.364 3.335 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)Nc1ccccc1 9390273 YIJMMGBJUYFJES-UHFFFAOYSA-N 317.776 3.409 0 40 DGAB O=C(NCc1ccccc1F)[C@H]1Cc2cc(Cl)ccc2O1 15606985 VTMOJSMNKYQFSO-OAHLLOKOSA-N 305.736 3.099 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nn1cnc2ccccc21 16490901 JJDWHCDIXJKTAM-UHFFFAOYSA-N 304.353 3.221 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)cn1 71796882 SHGNMOGJLHRUEX-OAHLLOKOSA-N 315.442 3.338 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2nc(C)n3c2CCCC3)C1 81721241 PEPVFWNGFUEMAQ-AWEZNQCLSA-N 321.490 3.276 0 40 DGAB Cc1cc(NC(=O)CN2CC[C@@H](C)C2)ccc1Br 69378419 MGOHNNLLAGDJIH-SNVBAGLBSA-N 311.223 3.038 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cccc2cc[nH]c12)c1cccs1 97002855 IFUHSXAOGHUTQP-GFCCVEGCSA-N 314.366 3.175 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 69779856 CRNHLMLIHYGZNR-UONOGXRCSA-N 321.490 3.274 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1 8697547 YNVXURIRIPGZGS-UHFFFAOYSA-N 321.446 3.461 0 40 DGAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@@H](C)O1 18249757 MAWDDNADOXFBES-AOOOYVTPSA-N 318.200 3.008 0 40 DGAB CN(C)[C@H](C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1 83847831 CDKZWNRCMRIKBO-SQNIBIBYSA-N 312.388 3.101 0 40 DGAB CC(C)(C)c1cnc(Cn2c(C(F)(F)F)csc2=O)o1 75093486 OWHRSTMVYAOEEA-UHFFFAOYSA-N 306.309 3.262 0 40 DGAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1ccccn1 20451430 IJFODGOJHAVKDA-CQSZACIVSA-N 304.777 3.209 0 40 DGAB O=C(Nc1cc(Cl)ccc1O)c1csc(NC2CC2)n1 36360403 VGWZPIRLZPNUIS-UHFFFAOYSA-N 309.778 3.329 0 40 DGAB CCCOc1ccc(-n2nc3cc(N)c(OCC)cc3n2)cc1 216870506 XTIMRJAKXWSUNY-UHFFFAOYSA-N 312.373 3.190 0 40 DGAB CC[C@](C)(NCC(=O)Nc1cccc(F)c1)c1nccs1 72684024 BICUDEMMFPIIQU-HNNXBMFYSA-N 307.394 3.136 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1ccc2nsnc2c1 38935432 MQACKXJOBLXPHO-VIFPVBQESA-N 303.412 3.114 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(CN3CCCCC3)cc2)cn1 35311234 JNKUAIBSNNDFEW-UHFFFAOYSA-N 310.401 3.023 0 40 DGAB NC(=O)CCc1ccc(-c2ccc(F)cc2Br)o1 216924875 LYNFSRFZRISVDY-UHFFFAOYSA-N 312.138 3.266 0 40 DGAB C=CC(=O)NCCCCCCCCCCCCNC(=O)C=C 38781529 QHQMBOKYHCJVKF-UHFFFAOYSA-N 308.466 3.492 0 40 DGAB C[C@@](O)(CCNC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 187498957 NXARUMHXWUFFJI-LJQANCHMSA-N 308.381 3.196 0 40 DGAB Clc1cnc(N2CCO[C@H](c3nccs3)C2)c(Cl)c1 225819008 QNIBMUCUVDNWED-JTQLQIEISA-N 316.213 3.423 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)cc1 42646476 QIQBXGLOCGOZNY-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB CC[S@](=O)[C@@H]1CCC[C@@H](N[C@@H]2CCc3ccccc3C2)C1 195541197 AUFAZGJAZBFXIX-IKVWTGGYSA-N 305.487 3.213 0 40 DGAB CNC(=O)c1c(C)cccc1NCc1ncc(C(C)(C)C)o1 85275656 PVFWMZVHYVKNQE-UHFFFAOYSA-N 301.390 3.252 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)N2C(=O)CCCc3ccccc32)nc1 227168916 AVMAUTGIEOBIHS-AWEZNQCLSA-N 323.396 3.087 0 40 DGAB CSCc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2CO)c1 95398617 QZHQYHXGPHKQAH-LLVKDONJSA-N 314.838 3.192 0 40 DGAB Fc1ccc(CN2CCN(CC3CC3)c3ncccc3C2)cc1 96060974 HKNCWYBPJZWOBU-UHFFFAOYSA-N 311.404 3.453 0 40 DGAB Cc1nc(N2CCCCCC2)c(Br)cc1C(=O)O 95097593 CHQFSFGUEGKEFT-UHFFFAOYSA-N 313.195 3.231 0 40 DGAB O=S(=O)(CCc1cccc(F)c1)CCc1cccc(F)c1 91365486 OTLBBSGSKLMRII-UHFFFAOYSA-N 310.365 3.165 0 40 DGAB CC(C)N(Cc1ccn(-c2ccc(F)cc2)n1)C1CCOCC1 96443443 WRPDSZPTSCSMTF-UHFFFAOYSA-N 317.408 3.401 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@@H]1O2)c1cc(C2CC2)nc2ccccc12 96468409 OAGYRBYGLGLDJP-PJSAGSTRSA-N 308.381 3.162 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CC=C(c2cccs2)CC1 96409985 HXCLQDHDYVFFSX-UHFFFAOYSA-N 313.378 3.406 0 40 DGAB COCC[C@H]1CCOC12CCN(C(=O)CC1=CCCCC1)CC2 247884191 RDBQOUIFLUWCIS-KRWDZBQOSA-N 321.461 3.311 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257233069 GNPWGWBJEJUCTH-INIZCTEOSA-N 323.440 3.166 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@@H]1CCc1ccncc1 257203523 AQLKKEIWTUWJKS-MRXNPFEDSA-N 300.427 3.309 0 40 DGAB CCCOc1ccc(NC(=O)C(=O)NC2CCC(C)CC2)cc1 352464199 QFEOLGQXKWJZCA-UHFFFAOYSA-N 318.417 3.109 0 40 DGAB COc1ccc(C(C)=O)c(O[C@@H](C)C(=O)N(C(C)C)C(C)C)c1 68934239 SRDHSQXEXSORQX-AWEZNQCLSA-N 321.417 3.311 0 40 DGAB CC(C)c1nc([C@H]2CCCN2C(=O)c2ccc(Cl)o2)no1 72299422 VEOGRXDZCHMRRO-SECBINFHSA-N 309.753 3.417 0 40 DGAB CCCCS(=O)(=O)N[C@@H](C)c1ccccc1Br 48903170 AMVOUOXIDDPUQO-JTQLQIEISA-N 320.252 3.230 0 40 DGAB COc1ccc(NC(=O)CCSC[C@@H]2CCCCO2)cc1 56232307 ZFNNKKNTRUQQGV-HNNXBMFYSA-N 309.431 3.326 0 40 DGAB CC(=O)c1c(F)cccc1N1CCC[C@H](Cc2noc(C)n2)C1 95994738 LMWGHAJFIJLIDP-CYBMUJFWSA-N 317.364 3.179 0 40 DGAB COc1ccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)cc1 5425487 TZVKMTAZWTZMBU-GUYCJALGSA-N 323.458 3.285 0 40 DGAB COc1ccc(OCC(=O)Nc2cccc(OC(C)C)c2)cc1 14796292 SLUATAOUVWNEIX-UHFFFAOYSA-N 315.369 3.500 0 40 DGAB O=C(c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCCC1 5171728 DUAHIYHBHHSGMG-UHFFFAOYSA-N 318.380 3.170 0 40 DGAB CN(C)c1ccc(C(=O)NCC2(c3ccsc3)CC2)cc1 1889134476 UVTUSEICZNYYEW-UHFFFAOYSA-N 300.427 3.276 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccc(Cl)cc1 45865929 CYKWXXOHURHZHX-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1ccc2c(c1)CCCC2 4275814 DHUOOUHPHAYPMD-UHFFFAOYSA-N 314.410 3.239 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2c(C)nc3ccc(C)cn3c2=O)c1 12180758 WCIZFMKFRUVVOX-UHFFFAOYSA-N 321.380 3.180 0 40 DGAB Cn1/c(=N/C(=O)Cc2ccccc2)sc2cc(F)cc(F)c21 100909518 VLEPFVIFVHEZDI-MNDPQUGUSA-N 318.348 3.188 0 40 DGAB O=C(NCc1ccccc1F)[C@H]1CCCN1Cc1ccccc1 50025810 YRBWJMWUCBANOI-GOSISDBHSA-N 312.388 3.107 0 40 DGAB O=C1O[C@@H](/C(=C\Nc2ccc(F)cc2)[N+](=O)[O-])c2ccccc21 100472768 YERPVUPTRGZFEY-AAWPKVBNSA-N 314.272 3.267 0 40 DGAB CCc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 100958460 PPCQXYAHWQCHMD-QGZVFWFLSA-N 321.359 3.431 0 40 DGAB CCN(Cc1ccccc1)[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 101113676 IGQHBRRBYFXMMS-GOSISDBHSA-N 322.408 3.149 0 40 DGAB COc1cccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1OC 102192156 KUTCBOAMESXHRU-UKTARXLSSA-N 303.402 3.258 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](NC=O)c1ccccc1Cl 346638 ATRHFXRGWPUVPR-MRXNPFEDSA-N 316.788 3.383 0 40 DGAB CCOc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 53197888 UEZSYPAENOHVEF-UHFFFAOYSA-N 324.424 3.356 0 40 DGAB C[C@H](NC(=O)COC(=O)CCC1CCCC1)c1ccccc1 3248234 HNMSTRYUIJAMJK-AWEZNQCLSA-N 303.402 3.377 0 40 DGAB COc1cc(NC(=S)NC2CCCCC2)cc(OC)c1OC 6229800 UYLSXJARKXFJGE-UHFFFAOYSA-N 324.446 3.332 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c1 6730158 YWCJWEKQAAACAB-ILXRZTDVSA-N 303.402 3.372 0 40 DGAB CCc1nc(COC(=O)c2cccc(NC(C)=O)c2)cs1 23200523 GROOVEYSANKFIU-UHFFFAOYSA-N 304.371 3.021 0 40 DGAB Cc1n[nH]c(SCc2cccc(C(=O)N3CCCCC3)c2)n1 54916093 SLGJFZYSTZLVDY-UHFFFAOYSA-N 316.430 3.032 0 40 DGAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 23733397 NNPXBTSSEQCHGK-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB Cc1cccc(C(=O)OCC(=O)c2ccc(Cl)s2)c1O 3274746 APQBTGCTKHIQMR-UHFFFAOYSA-N 310.758 3.455 0 40 DGAB Cc1ccc(CNC(=O)Nc2ccc(N3CCCC3)nc2)s1 48083983 OJHGUEURDDKENC-UHFFFAOYSA-N 316.430 3.373 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC=CCC1 58195775 TUADSHGSRJLZLJ-OALUTQOASA-N 312.457 3.371 0 40 DGAB O=C(CC1CCCCC1)Nc1ccc(-n2cncn2)c(F)c1 58148398 JBLZCFCFEYKWKR-UHFFFAOYSA-N 302.353 3.315 0 40 DGAB C[C@H](CC(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CC1 58282850 UTFZGUCWDIRTLU-CQSZACIVSA-N 319.420 3.426 0 40 DGAB CCc1ccc(NC(=O)Cn2cc(C(F)(F)F)ccc2=O)cc1 3326673 HZCXCYADXWEALW-UHFFFAOYSA-N 324.302 3.068 0 40 DGAB CC1=C(C(=O)N(C)Cc2ccc(Cl)s2)C(=O)OC1(C)C 58203026 YOGMIUFGOHGWTL-UHFFFAOYSA-N 313.806 3.012 0 40 DGAB Cc1noc(CS(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 44947741 LIHDZVPKONLNFP-UHFFFAOYSA-N 320.414 3.400 0 40 DGAB CN(C)C1(CNC(=O)C2(c3ccccc3)CC2)CCCCC1 3399513 AZHDKKXODIEQKR-UHFFFAOYSA-N 300.446 3.099 0 40 DGAB Cc1ccc(C(=O)Nc2ccn(Cc3ccccn3)n2)c(C)c1 58326863 CDQUEHSNMVWGFD-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB C[C@H]1C[C@@H](C(N)=O)c2ccccc2N1Cc1ccnc(Cl)c1 58424370 FAXWIBQLRJJTEB-SMDDNHRTSA-N 315.804 3.103 0 40 DGAB CC(=O)Nc1ccc(OC(=O)Cc2cn(C)c3ccccc23)cc1 58429069 GLQFCXPUWDJXIV-UHFFFAOYSA-N 322.364 3.285 0 40 DGAB COc1ccc(Cn2nccc2NC(=O)c2ccccc2)cc1 28293276 CEMMFGYDLFTBPC-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CC(C)CN1CCC(NC(=O)N[C@@H]2CCc3ccccc32)CC1 45305085 XTMAIBRXPYCULD-GOSISDBHSA-N 315.461 3.094 0 40 DGAB COCCNC(=O)C1(Cc2nc3ccccc3s2)CCCC1 36703890 MBTRRDOYLBWUIE-UHFFFAOYSA-N 318.442 3.162 0 40 DGAB C1=C(c2ccccc2)CCN(Cc2nc(-c3cccnc3)no2)C1 11726049 VWSKGCAQSFVQQB-UHFFFAOYSA-N 318.380 3.421 0 40 DGAB CCCCCNC(=O)N[C@H](c1ccccc1F)c1nccn1C 29723168 PRMYMUGSGMQFGM-OAHLLOKOSA-N 318.396 3.138 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@H](C)c2ccc(C)s2)n1 49067943 UDLFJZNXJHZJJF-LLVKDONJSA-N 309.460 3.453 0 40 DGAB Cc1nc2c3ccccc3nc(S[C@@H]3CCCCC3=O)n2n1 13228768 PGQYSJGCKBAQKJ-CQSZACIVSA-N 312.398 3.190 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccccc1OC 8987518 AZEGESBPEVPTCH-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB CC(C)(C(=O)O)[C@H]1CCCN(C(=O)CCc2ccsc2)C1 97045167 KKNQIDJRXCHYFW-ZDUSSCGKSA-N 309.431 3.030 0 40 DGAB Cc1ccc(CN(C)C[C@@H](O)COc2ccc(Cl)cc2)o1 14200848 GBRRASPWFNHKCN-CQSZACIVSA-N 309.793 3.113 0 40 DGAB O=C(COc1ccccc1O)N1CCC[C@@H]1Cc1ccccc1 97039625 DZYLJHOIQYROFN-MRXNPFEDSA-N 311.381 3.005 0 40 DGAB CC(C)(C(=O)O)c1ccc(NC(=O)c2cccc(F)c2)cc1 97014498 VAQSOOQLSMKXAL-UHFFFAOYSA-N 301.317 3.440 0 40 DGAB O=C(Cc1ccccc1)Nc1cc(N[C@H]2CCOC2)ccc1F 97084895 VTBOGCWZVBKKCH-HNNXBMFYSA-N 314.360 3.208 0 40 DGAB O=C(NOCc1ccccc1)Nc1ccccc1-n1cccn1 61450280 YMEBIUJTWTUVHA-UHFFFAOYSA-N 308.341 3.126 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)N[C@@H]1C[C@H]1c1cccc(F)c1 67091161 JESPRVQGUSSALN-WMLDXEAASA-N 323.371 3.307 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2cccs2)c(OC)c1 7041062 QSZXHMDEIFXLHJ-UHFFFAOYSA-N 306.339 3.153 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2cccc(F)c2)c1C 7578749 ZVDBDRFTZKUZAP-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB O=C(c1ccncc1)N1CC(OCc2cccc3ccccc23)C1 80941864 XRILMOSQEHROHN-UHFFFAOYSA-N 318.376 3.276 0 40 DGAB C[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(Cl)cc1 9496211 UIKKTNIQOJEKEE-SNVBAGLBSA-N 320.801 3.140 0 40 DGAB COc1ccccc1NCC(=O)Nc1cc(C)ccc1OC 7953312 MOHDWGYFGJXBAZ-UHFFFAOYSA-N 300.358 3.063 0 40 DGAB CCOc1cccc(CN[C@H](c2ccccc2)c2n[nH]c(C)n2)c1 69168793 DUTDXQYRMLBTSV-GOSISDBHSA-N 322.412 3.391 0 40 DGAB C[C@@H](Cn1cccn1)NCc1coc(-c2ccccc2Cl)n1 69387390 FRFORICHQMHQHN-LBPRGKRZSA-N 316.792 3.370 0 40 DGAB Cc1ccccc1N(C(=O)c1cccc(-n2cnnn2)c1)C(C)C 69415153 KAZUHZOKGKMBCX-UHFFFAOYSA-N 321.384 3.026 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@@H]21 71826689 MLZGOOQPAJKGPN-WBVHZDCISA-N 324.424 3.183 0 40 DGAB COCc1cccc(C(=O)N[C@@H]2C[C@@H]2c2ccccc2OC)c1 69517647 JVNAZWNMRPWFJT-IAGOWNOFSA-N 311.381 3.128 0 40 DGAB Cc1noc([C@H](C)N(C)CCc2ccc(Br)cc2)n1 69532733 PYJTXRHSJPOPDX-JTQLQIEISA-N 324.222 3.376 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)CCn2ccc3ccccc32)cn1 69655218 HKXCNCCUDUMSBW-GOSISDBHSA-N 322.412 3.129 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)C3CC(c4ccccc4)C3)cc12 71832985 ZFFBGGBFKRCEOW-UHFFFAOYSA-N 320.396 3.409 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)CCc2c(C)noc2Cl)no1 71841346 CKJCNXKJZORVGR-CYBMUJFWSA-N 323.780 3.229 0 40 DGAB O=C(NCCn1cnc2ccccc21)C1(c2ccc(F)cc2)CC1 71827912 DZQPFWNTAVJENY-UHFFFAOYSA-N 323.371 3.023 0 40 DGAB CCc1cnccc1C(=O)Nc1cc(F)c(OC)cc1OC 97110709 NLNSBKQQXKKTSD-UHFFFAOYSA-N 304.321 3.053 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2c2ncnc3ccccc23)n1 69950755 DHQBQWYIGOWACE-HNNXBMFYSA-N 307.401 3.112 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@H](C)c1ccccc1)c1cccs1 8734530 IVKARGKZICWBIH-IUODEOHRSA-N 316.426 3.193 0 40 DGAB C[C@H](NC(=O)C1CCCCC1)C(=O)NC(C)(C)CC(C)(C)C 83927612 NDEIBNBRJZDHAB-ZDUSSCGKSA-N 310.482 3.402 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)Cc1cccc(F)c1 95977891 IRHCUEVIUGENLP-OAHLLOKOSA-N 301.365 3.072 0 40 DGAB CO[C@@H](C)c1nc(Cc2nc3scc(C)c3c(=O)[nH]2)cs1 89708861 MEAPIFOQZQKAHG-QMMMGPOBSA-N 321.427 3.048 0 40 DGAB CC[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1 89947888 QGZDDWJPXQHTLE-JCGIZDLHSA-N 300.446 3.374 0 40 DGAB Brc1ccc(-c2noc([C@@H]3C[C@H]4CC[C@H]3O4)n2)o1 110658387 OSOWALUEQBRZFX-BWZBUEFSSA-N 311.135 3.127 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1 31976101 PNHGLRPYWFMGKF-UHFFFAOYSA-N 304.371 3.094 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)c1cccnc1 32406497 SAXKFKOLGYNCFQ-LLVKDONJSA-N 310.806 3.083 0 40 DGAB CCCOC(=O)CSc1nc2ccc(NC(C)=O)cc2s1 3847035 PXUPEXJSJZGTIP-UHFFFAOYSA-N 324.427 3.300 0 40 DGAB biogenic O=S(=O)(Cc1nccn1Cc1ccccc1)C1CCCCC1 72915145 OYRXKQSCAJUZJV-UHFFFAOYSA-N 318.442 3.179 0 40 DGAB NC(=O)c1ccc2[nH]c(-c3ccccc3Br)nc2c1 70461548 TXZXWMYPMVQJEO-UHFFFAOYSA-N 316.158 3.091 0 40 DGAB CC(C)(C)[C@@H](NC(=O)CSc1ccncc1)C(F)(F)F 73133605 NWXHKGMICDPJAB-LLVKDONJSA-N 306.353 3.267 0 40 DGAB Cc1ncc(CN(C)Cc2ccc(C(=O)O)c(Cl)c2)s1 568059492 BLAOBRNJYZDGEB-UHFFFAOYSA-N 310.806 3.435 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](CC)C(=O)N[C@@H](C)CC 225666269 XZDHLKDTZJXGMY-BBRMVZONSA-N 322.424 3.258 0 40 DGAB Cc1ccc([C@@](C)(O)CNC(=O)C/C=C/c2ccc(F)cc2)o1 81833672 JEWVYMPYKHRQKX-WHLIDYPQSA-N 317.360 3.154 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)Nc1ccccc1OC 225769098 CPZZXMODMNYKCA-OAHLLOKOSA-N 319.449 3.471 0 40 DGAB Cc1ccc2cnn(CCC(=O)NCCc3ccccc3)c2c1 40759043 CCPJYSNXIMWHLI-UHFFFAOYSA-N 307.397 3.094 0 40 DGAB CN(Cc1cccc(C(F)(F)F)c1)Cc1nc(C(=O)O)co1 572728296 IPOWXZUZBMWPPP-UHFFFAOYSA-N 314.263 3.024 0 40 DGAB Cc1cc(I)cc(C(=O)O)c1OC(C)C 225279137 MNLJNEGRZJWNRR-UHFFFAOYSA-N 320.126 3.085 0 40 DGAB CO[C@@H]1CC[C@H](NC(=O)N[C@@H](c2ccccc2)c2ccco2)C1 190109438 KUKGAHWTSVVQRS-UXLLHSPISA-N 314.385 3.236 0 40 DGAB O=S(=O)(c1ccco1)N1C[C@H](c2ccccc2)C2(CCC2)C1 577366096 KDCVLXDCPSAMII-OAHLLOKOSA-N 317.410 3.238 0 40 DGAB COC[C@H]1CN(Cc2ccsc2)Cc2cn(CC3CC3)nc21 96198120 JFHCEURBGSTSIX-MRXNPFEDSA-N 317.458 3.100 0 40 DGAB C[C@H]1C[C@H](NCCCc2nnc3n2CCCCC3)CC[C@H]1C 97379712 NZESBEXDLJZPLV-OWCLPIDISA-N 304.482 3.351 0 40 DGAB Cc1nc(CN2CCN(CC3CC3)c3ncccc3C2)cs1 96198910 KAULGIZKFNSNOR-UHFFFAOYSA-N 314.458 3.079 0 40 DGAB O=C(Cc1cccs1)N1C[C@@H](n2ccnc2)Cc2ccccc21 96426004 VNJBNQCQHQYUCD-HNNXBMFYSA-N 323.421 3.318 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C(=O)Nc1cc(F)ccc12 98213845 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Cc1ccc(C(=O)N[C@@H](C)c2cnn(C)c2C)cc1-n1cccc1 25002770 UVLHVJDHWAEZDU-AWEZNQCLSA-N 322.412 3.319 0 40 DGAB Cc1noc([C@H](C)NC(=O)Nc2ccccc2OC(C)C)n1 69627671 MTMIUDXRZLRQIK-JTQLQIEISA-N 304.350 3.048 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)Cc2cccc(F)c2)no1 96001162 WRUKWWPDLYRVLU-OAHLLOKOSA-N 317.364 3.204 0 40 DGAB COC(=O)c1nc2ccccc2c(-c2ccccc2)c1C(=O)OC 1556534 DFDRSXXBMIECJO-UHFFFAOYSA-N 321.332 3.475 0 40 DGAB c1ccc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1 550318445 VQNCRDINFIVCLK-IYBDPMFKSA-N 316.408 3.202 0 40 DGAB C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1cccc(F)c1 96421369 NQYOULZEHGRIRV-CYBMUJFWSA-N 302.349 3.241 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2ncccc2C)c1 12323118 KADNQDPUZLXWDE-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@@]1(C)O 13146834 GIWADHSGRXSAST-YESZJQIVSA-N 319.788 3.281 0 40 DGAB O=c1c2ccccc2nc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1 13637338 CPLOANZJHCRSEC-HNNXBMFYSA-N 324.355 3.382 0 40 DGAB CC(C)C(=O)N1CCN(Cc2ccccc2F)C[C@@H]1C(C)C 19451457 GWFXXTSSIKTCNL-QGZVFWFLSA-N 306.425 3.151 0 40 DGAB Cc1ncsc1-c1nnc(CNC(=O)CC2CCCCC2)o1 19563227 OFTPHSUGEKSNDE-UHFFFAOYSA-N 320.418 3.088 0 40 DGAB CCSc1nnc(SCC(=O)Nc2ccccc2)s1 3543774 QMBUMTNYTAWGRF-UHFFFAOYSA-N 311.457 3.381 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)C4=CC(=O)CC[C@@]43C)[C@H]1CCC2=O 44960189 PJMNEPMSGCRSRC-SCCROHOISA-N 300.398 3.266 0 40 DGAB CC1(C)[C@H]2CCC3=C[C@](C)([C@H](O)CO)CC[C@@H]3[C@]2(C)CC[C@H]1O 253589797 NCAZLDCEJHFJDT-JLJUJHICSA-N 322.489 3.280 0 40 DGAB biogenic O=C(NCCCSc1ccc(Cl)cc1)Nc1ncccn1 10220854 DLHIEBUTZWIBQU-UHFFFAOYSA-N 322.821 3.434 0 40 DGAB CC(=O)N(CCN(C)C)c1nc2c(C)cc(Cl)cc2s1 12493178 YDPFBJICOHSQKB-UHFFFAOYSA-N 311.838 3.173 0 40 DGAB CCCOc1ccc(S(=O)(=O)NCc2ccsc2)cc1 13725045 VAHIJLFRMMEIMS-UHFFFAOYSA-N 311.428 3.015 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1csc(-c2cnccn2)n1 44123159 CTFUDXSDYCUWLB-LLVKDONJSA-N 322.393 3.192 0 40 DGAB O=C(NC[C@H](c1cccs1)n1cccn1)Nc1cccs1 575614501 VBLZIKXTPYPXIM-LLVKDONJSA-N 318.427 3.417 0 40 DGAB COC(=O)Cc1cs/c(=N\c2ccccc2)n1-c1ccccc1 12559541 ABKYTWTVBLVLGS-HNENSFHCSA-N 324.405 3.487 0 40 DGAB OCC1CCN(c2ccnc3cc(C(F)(F)F)ccc23)CC1 123733124 VCZZRSXCXUCVFG-UHFFFAOYSA-N 310.319 3.462 0 40 DGAB CN(Cc1cccc(Cl)c1)C(=O)Nn1cnc2ccccc21 10402795 KZADRCVPPJMNRJ-UHFFFAOYSA-N 314.776 3.485 0 40 DGAB CCc1nc(NC(=O)Cc2ccc(OC)c(F)c2)sc1C 40142618 PLPXBNKNWCSWBA-UHFFFAOYSA-N 308.378 3.343 0 40 DGAB O=C(O)[C@H](Sc1nncc(-c2ccccc2)n1)c1ccccc1 155560 STPBZRCNPMZHKD-OAHLLOKOSA-N 323.377 3.457 0 40 DGAB O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21 204686 VGFZYPWFYITNPD-UHFFFAOYSA-N 305.333 3.386 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@H](c2ccccc2)C(C)C)cc1 32744945 FYNXHSBSGZJITB-IBGZPJMESA-N 324.424 3.450 0 40 DGAB O=C(NCCC1CCCCC1)c1ccc(N2CCOC2=O)cc1 32924617 LLKFCWAYEAAOPW-UHFFFAOYSA-N 316.401 3.343 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2c(F)cccc2F)c1 484484 OOURNQTVZKCRNF-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB O=C(NCc1cccc(C(F)(F)F)c1)c1ccc2c(c1)OCO2 484307 YBBSAVFXMDRCMJ-UHFFFAOYSA-N 323.270 3.364 0 40 DGAB CCc1nc2c3c(C)c(C)n(-c4cccc(OC)c4)c3ncn2n1 21801260 FDWWWHCAQIOHMR-UHFFFAOYSA-N 321.384 3.256 0 40 DGAB CCc1cc2c(=O)c(-c3ccc4c(c3)OCCO4)coc2cc1O 407268 DMJLAILOKGWWJS-UHFFFAOYSA-N 324.332 3.499 0 40 DGAB biogenic CC[C@@]1(C)Cc2c(sc3nc(SC)n4cnnc4c23)CO1 507226 CAYGOIQKZYDTFV-AWEZNQCLSA-N 320.443 3.302 0 40 DGAB Cc1c(Cl)c(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCC1 2775071 NAGLACKNZCSXRZ-MRVPVSSYSA-N 309.719 3.047 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Cc2c[nH]c3ccccc23)c1 3286813 SLMKBTUQZVOCRO-UHFFFAOYSA-N 322.364 3.444 0 40 DGAB C[C@@H](C(=O)NCC1CCCCC1)N1CCc2ccccc2C1 3408996 KEAOGVOZYAOWOY-HNNXBMFYSA-N 300.446 3.130 0 40 DGAB CCCn1c(SCc2ccon2)nc2ccccc2c1=O 3453906 XRVNOZTVSGZSLO-UHFFFAOYSA-N 301.371 3.087 0 40 DGAB COc1cccc(NC(=O)c2cnn(-c3ccccc3)c2F)c1 4348105 FOULZNKYSTYYMT-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc3sccc3n2C)c1 4355959 NAFCUUYUMTUTFQ-UHFFFAOYSA-N 314.366 3.279 0 40 DGAB O=C(CSc1nc2ccccc2o1)N[C@@H]1C[C@H]2CC[C@@H]1C2 4512933 UDXWSHXOKQVZDV-DMDPSCGWSA-N 302.399 3.225 0 40 DGAB COc1ccc(OCCOc2ccccc2NC(C)=O)cc1 5111859 DTXUYTPCWIQMNG-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB C[C@@H](NC(=O)CSc1nccn1C)c1cccc(Cl)c1 5359907 OLRJRKYEJGZVGU-SNVBAGLBSA-N 309.822 3.043 0 40 DGAB COc1cccc(CNC[C@@H](C)O)c1OCc1ccc(C)cc1 6745277 FHEGGUHCJAUKRW-OAHLLOKOSA-N 315.413 3.053 0 40 DGAB O=C(CSc1nccn(-c2ccccc2)c1=O)c1ccccc1 6915136 JIICOSDBWCVJCX-UHFFFAOYSA-N 322.389 3.208 0 40 DGAB O=C1c2ccccc2N[C@H](c2cnc3ccccc3n2)N1C1CC1 7364528 VOCBHPXXUYCCHO-SFHVURJKSA-N 316.364 3.359 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1cccc(N2CCCC2=O)c1 8076663 GMVXMDQNIWTROX-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1c(Cl)c(COC(=O)c2cnccn2)nc2ccccc12 8193962 XDTHDCRDJJGQJD-UHFFFAOYSA-N 313.744 3.344 0 40 DGAB Cc1nn(C)c(C)c1CNC(=O)Nc1ccc(C(C)C)cc1 8273298 GMTILWLYNMIRGK-UHFFFAOYSA-N 300.406 3.482 0 40 DGAB O=C(O)c1ccc(OCCCN2CCc3ccccc3C2)cc1 8731586 JCGNREXNVMNZOG-UHFFFAOYSA-N 311.381 3.212 0 40 DGAB CCCCc1nnc(NC(=O)c2ccc3[nH]cnc3c2)s1 8746255 WIQKGDCZWTZOFO-UHFFFAOYSA-N 301.375 3.009 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccc(C(N)=O)cc1 8881593 APDRHHXHCGILSP-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB CC(C)(C)c1cc(-c2nnc(S)n2-c2ccccc2F)[nH]n1 9010147 YTLNIDBFYDTLOV-UHFFFAOYSA-N 317.393 3.383 0 40 DGAB O=c1[nH]c(CSc2nc3ccccc3o2)nc2ccccc12 9096615 XXMMVUHWYQRQKO-UHFFFAOYSA-N 309.350 3.357 0 40 DGAB CCOc1ccccc1-c1nn2c(-c3ccccn3)nnc2s1 10312384 ZYUOWYVTICRBHQ-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)COc1cccc(C)c1C 13169914 MLEIFBUJLRXUFT-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CCn1nc(C)cc1NC(=O)c1cccc(Br)c1 13656434 FPHMQVHPZLJCCS-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)c(C)c1 14097304 OFZHNHIRYQLGGU-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CSc1ccc(CN(C)[C@@H](C)C(=O)Nc2cc(C)on2)cc1 14142136 RVTMXDNYPIOMAC-LBPRGKRZSA-N 319.430 3.164 0 40 DGAB COc1cccc(NC(=O)CCc2cc(OC)cc(OC)c2)c1 14183042 AXJLGOKXKDECPO-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB Cc1ccc(C(=O)NC(=S)NCc2ccccc2)cc1Cl 14257707 YIGIYTSPZPBTNL-UHFFFAOYSA-N 318.829 3.453 0 40 DGAB C[C@H](NC(=O)c1ccccc1)c1n[nH]c(=S)n1-c1ccccc1 16034363 QLNHUSWQXWMCEH-LBPRGKRZSA-N 324.409 3.421 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)[nH]n2)cc1 18190884 NRMSIZVBJMLGRP-UHFFFAOYSA-N 313.382 3.186 0 40 DGAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)n1 19291029 DJGPLKCLVDQYRR-HNNXBMFYSA-N 314.389 3.043 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1OC 19736189 YNNRXDXXURTJSW-OAHLLOKOSA-N 314.385 3.382 0 40 DGAB Cc1cc(NC(=O)c2ccc(Cl)cc2)cc(C(=O)O)c1O 20138230 UJVJKXKVBFMRNO-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB C[C@@H](NC(=O)/C=C/c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 20675389 QIXJZAJIRRGESR-MZOVWHKZSA-N 313.445 3.154 0 40 DGAB Cn1cc(-c2nc(-c3cccs3)no2)c(=O)c2ccccc21 20736861 NNXHVHWNORPANB-UHFFFAOYSA-N 309.350 3.317 0 40 DGAB Cc1c(-c2nnc(Cc3ccccc3)o2)nnn1-c1ccccc1 20745806 HPRCWVSFBVTVSA-UHFFFAOYSA-N 317.352 3.217 0 40 DGAB O=C(NCc1nc2ccccc2s1)c1n[nH]c2ccccc12 21904865 AXKXPGQNJODCET-UHFFFAOYSA-N 308.366 3.103 0 40 DGAB COc1ccc([C@H](C)NC(=O)Cc2csc(C)n2)cc1F 24078058 KPTJMPWFAOCBSW-VIFPVBQESA-N 308.378 3.019 0 40 DGAB COCc1ccccc1CNC(=O)CCc1ccc(OC)cc1 25303023 ZTHQSFHERIWCSO-UHFFFAOYSA-N 313.397 3.091 0 40 DGAB CS[C@H](C)C(=O)N[C@H](C)c1ccccc1Br 31697422 VVNVXBJNMCMPKO-RKDXNWHRSA-N 302.237 3.378 0 40 DGAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc(=O)[nH]c1 32924368 PEBYSDLAPBDPSI-OAHLLOKOSA-N 302.399 3.098 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2C)cc1 38756192 FZJWRBRSQGLNNB-CQSZACIVSA-N 319.426 3.184 0 40 DGAB CCOc1ccccc1CNC(=O)Nc1ccccc1OC 44845612 DKYLYCOOKLPZIK-UHFFFAOYSA-N 300.358 3.416 0 40 DGAB COC(=O)c1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)s1 44859962 DQJJQSLOEDVHBD-VXGBXAGGSA-N 307.415 3.187 0 40 DGAB CO[C@H](CNC(=O)c1c(C)noc1C(C)C)c1ccccc1 47907546 VVEKOYLMTDUWGL-CQSZACIVSA-N 302.374 3.224 0 40 DGAB O[C@@H](COCc1ccco1)CN1CCC[C@@H]1c1ccsc1 48248836 UTTNBJQVAXNPCC-GDBMZVCRSA-N 307.415 3.056 0 40 DGAB Cn1ncc2c(N(Cc3ccc(Cl)cc3)C3CC3)ncnc21 52447139 MVUHUJJHLDWTPZ-UHFFFAOYSA-N 313.792 3.186 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CC(=O)Nc1ccccn1 53281155 HAWCDDCJSABEKR-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB O=C(c1csc(-c2ccsc2)n1)N1CCO[C@H]2CCC[C@H]21 53384361 PPXAWXOZTUEGHO-OLZOCXBDSA-N 320.439 3.265 0 40 DGAB CCN(C(=O)CCc1cnn(C)c1)c1nc2ccccc2s1 55035241 GYBKWWBWWBSOGB-UHFFFAOYSA-N 314.414 3.016 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)C=C(C3CC3)C3CC3)ccc21 55036242 ZTTFSYGMSHRFOT-UHFFFAOYSA-N 310.397 3.281 0 40 DGAB O=C(Nc1ccccc1Cn1cncn1)c1cccc(Cl)c1 55968981 HSGJNPXGUDGRFO-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCNC(=O)Nc1nnc(C23CC4CC(CC(C4)C2)C3)s1 57581123 ZQJLOOHQFDJGSM-UHFFFAOYSA-N 306.435 3.147 0 40 DGAB COc1ccccc1-c1nc(C(=O)Nc2cc(C)n[nH]2)cs1 58283064 HZFLRINBEBKZTH-UHFFFAOYSA-N 314.370 3.103 0 40 DGAB Cc1cc(C)c(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(C)c1 58344877 BZSPMBPFIQSOOR-FUHWJXTLSA-N 310.397 3.392 0 40 DGAB COc1ccccc1/N=c1\oc2ccccc2cc1C(N)=S 59171093 IHBIWGSEVQSHAM-ZPHPHTNESA-N 310.378 3.308 0 40 DGAB COc1c(CN[C@H]2CCc3cc(F)ccc32)c(C(C)C)nn1C 65474754 PANKVWGJRXDPEI-INIZCTEOSA-N 317.408 3.468 0 40 DGAB O=C(Nc1ccncc1)c1ccc(CNc2cccc(F)n2)cc1 65946976 XKHJKKSHVSTZDS-UHFFFAOYSA-N 322.343 3.480 0 40 DGAB O=C(Cc1ccccc1O)Nc1ccc(Br)cc1O 69514250 XPRVXIYPTFTJFI-UHFFFAOYSA-N 322.158 3.042 0 40 DGAB Cc1nccc(CNC(=O)c2ccc(-c3ccsc3)nc2C)n1 69629121 ZJFSSQDOTBQSPI-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB Cc1ccc(CCSc2nncn2CC(F)(F)F)cc1 71914309 MFMSQYCAOJWYSC-UHFFFAOYSA-N 301.337 3.484 0 40 DGAB CCC(=O)Nc1ccc2sc(-n3nc(C)cc3C)nc2c1 72229646 BENZJTRUCLSZBM-UHFFFAOYSA-N 300.387 3.447 0 40 DGAB CC[C@H](NC(=O)c1c(C)cc(C)[nH]c1=O)c1ccc(F)cc1F 72291476 ANLQBSLTAALXSQ-AWEZNQCLSA-N 320.339 3.151 0 40 DGAB COc1ccc(CNC(=O)c2ccc(F)cc2Cl)c(OC)c1 72331677 JJNZPJXSHYBRLJ-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB Cc1cc(Nc2ncccc2C)nc([C@@H]2CCN(C(C)C)C2)n1 72382383 PBKRMHRIGZXMGV-OAHLLOKOSA-N 311.433 3.430 0 40 DGAB CC(C)c1nccn1CCC(=O)N1CC2(CC2)c2ccccc21 73892873 XPTZTAJRYMQSAK-UHFFFAOYSA-N 309.413 3.475 0 40 DGAB CC[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1c1ccccc1 74283227 POCYRRCFZBVDHY-SJLPKXTDSA-N 311.429 3.316 0 40 DGAB CC[C@H](C(=O)NCc1cccc(OC)c1)c1c(C)noc1C 75126534 JFQJYOYSYDFDAU-HNNXBMFYSA-N 302.374 3.110 0 40 DGAB Cc1ncccc1O[C@@H]1CC[C@H]2CN(Cc3cscn3)C[C@H]21 77010564 KBLFIVJVWWKJHI-YSVLISHTSA-N 315.442 3.136 0 40 DGAB CCc1nsc(N2CCC(C(=O)c3ccccc3)CC2)n1 80768787 AZFUMSJNAWTPTN-UHFFFAOYSA-N 301.415 3.200 0 40 DGAB C[C@H](CNC(=O)c1ccc2nc(Cl)ccc2c1)C[C@@H](C)O 81796380 AAXWPPSODAFEMK-WDEREUQCSA-N 306.793 3.025 0 40 DGAB CCOC(=O)/C=C/c1cc(F)cc(I)c1 83291664 WXZONTACHIYWQU-ONEGZZNKSA-N 320.101 3.007 0 40 DGAB CC(C)[S@@](=O)c1ccc(C(=O)Nc2ccccc2O)cc1 84622346 SCOYFPGWSLKASQ-NRFANRHFSA-N 303.383 3.161 0 40 DGAB C[C@@H](NC(=O)N[C@@H]1C=CCCC1)c1noc(-c2ccccc2)n1 89913722 GVMQFJQCGGEELT-TZMCWYRMSA-N 312.373 3.206 0 40 DGAB O=C(NCC1(CO)CCCCC1)[C@H]1C[C@H]1c1c(F)cccc1F 95966761 CLFIVTNAXIQFGS-OLZOCXBDSA-N 323.383 3.127 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)Cc1cccc(F)c1 95977890 IRHCUEVIUGENLP-HNNXBMFYSA-N 301.365 3.072 0 40 DGAB CN1C[C@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)C1=O 96100278 IIGPUBGFLMPJLK-GOSISDBHSA-N 324.424 3.118 0 40 DGAB O=C(CCc1ccccc1)NCCn1nc(C2CC2)cc1C1CC1 96121764 KSXPLGRIOZCQTQ-UHFFFAOYSA-N 323.440 3.387 0 40 DGAB COc1ccccc1CN(C)C(=O)Nc1cnn(CC(C)C)c1 96435527 BXYJTUTZHQBTJV-UHFFFAOYSA-N 316.405 3.212 0 40 DGAB O=C(OC[C@H]1CCCO1)c1cnc(Cc2ccccc2)s1 96461876 LVRKGPYPWTXTKE-CYBMUJFWSA-N 303.383 3.070 0 40 DGAB CC(C)c1noc(NCc2cnc3c(cnn3C(C)C)c2)n1 96495406 LAHUBLAYFVZNFK-UHFFFAOYSA-N 300.366 3.131 0 40 DGAB CC(C)n1nccc1NC(=O)Nc1cccc(OCCF)c1 97140169 ZMJZTLMVZHLRIN-UHFFFAOYSA-N 306.341 3.456 0 40 DGAB CN(C(=O)CCc1ccc(Br)cc1)c1cccnc1 97212854 UAHNBRLDJNKXNY-UHFFFAOYSA-N 319.202 3.440 0 40 DGAB Cc1nc(CN[C@@H](C)c2nc(Cc3ccccc3)no2)oc1C 97374566 CDAOOHVGVVTHEX-LBPRGKRZSA-N 312.373 3.116 0 40 DGAB O=C(Nc1ccc(N2CCSCC2)cc1)N1C[C@H]2CC[C@H]1C2 102715902 NTADASYVMZZIKU-BBRMVZONSA-N 317.458 3.256 0 40 DGAB C[C@@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@@H]2C[C@@H]1C2(C)C 106860680 OGHLSNKDEIODIH-JURCDPSOSA-N 302.418 3.375 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1 169685377 FRINMYWKWPHCRN-PDCGBLAGSA-N 323.392 3.033 0 40 DGAB CCCC[Sn]1(CCCC)OC(=O)CS1 195996086 OLOQHZSCBTUIGQ-UHFFFAOYSA-L 323.046 3.319 0 40 DGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccncc1 223991772 LZIBQLZSCLBAKR-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC 225455951 QBKDDXPEOFJKSP-HOTGVXAUSA-N 318.461 3.161 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)[C@@H]1C[C@H]1c1cccnc1 225597879 ZNXNPCNMGIOPFX-ZWKOTPCHSA-N 324.424 3.297 0 40 DGAB C[C@@H]1C[C@@H](NC(=O)[C@@H]2[C@H]3CCC[C@H]32)CCN1Cc1ccccc1 245344140 XTTHEKRQQNIZNO-XXQMMXQMSA-N 312.457 3.202 0 40 DGAB CN(c1ccc(O)cc1)S(=O)(=O)c1cc(Cl)ccc1F 252510750 ZPVIVSSIWCPOQA-UHFFFAOYSA-N 315.753 3.010 0 40 DGAB c1ccc(CN2CCC[C@@H](Cc3cnc4[nH]ccc4c3)C2)nc1 257229246 FXIMSKPXDLLUDD-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB CC(=O)NCc1ccc([C@H]2CCCN2CCc2ccccc2)nc1 257245416 IPJNIXWNOHHSGB-HXUWFJFHSA-N 323.440 3.097 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@@H](Cc2ccccn2)C1 257292603 QMGOLUNZPLODPF-AWEZNQCLSA-N 300.427 3.167 0 40 DGAB Cc1ncc(CN(C)Cc2c(Cl)cccc2C(=O)O)s1 573259181 LFJGMDMRKSGYSZ-UHFFFAOYSA-N 310.806 3.435 0 40 DGAB CC(C)(C)[C@H](NC(=O)Cc1ccc(C(=O)O)cc1)C(F)(F)F 574010166 QMILWIVSHFBORP-ZDUSSCGKSA-N 317.307 3.021 0 40 DGAB COC(=O)CCC(=O)c1cccc(OC(F)(F)C(F)F)c1 575361076 PZZBQPJJCFYVBC-UHFFFAOYSA-N 308.227 3.059 0 40 DGAB O=C(NCCc1ccc(-c2ccsc2)s1)[C@@H]1CCOC1 575414054 MVTSHBBVZACYIQ-LLVKDONJSA-N 307.440 3.172 0 40 DGAB COc1ccc([C@@H](C)[C@H](C)NC(=O)CCc2ccncc2)cc1 584907245 UVPCSBQWOWQKMC-GJZGRUSLSA-N 312.413 3.331 0 40 DGAB C[C@@H]1c2c(F)cccc2CCN1C(=O)c1ocnc1C1CC1 585083653 WMJJKAHZCZAUDB-SNVBAGLBSA-N 300.333 3.451 0 40 DGAB COC[C@H](NC(=O)[C@H]1C[C@H](C)CC(C)(C)C1)C1CCOCC1 585113330 PCNTXVCTXANBIP-BPUTZDHNSA-N 311.466 3.007 0 40 DGAB CS[C@@H](C)Cc1nc(Cc2ccc(-n3ccnc3)cc2)no1 585120523 SVBZIEWJUUTZKB-LBPRGKRZSA-N 314.414 3.140 0 40 DGAB Cc1cc(Br)c2c(c1)CCCN2C(=O)c1cocn1 585125463 TWDKQAISLVVPDX-UHFFFAOYSA-N 321.174 3.339 0 40 DGAB O=C(COCc1ccccc1)NCc1ccc(-c2ccco2)o1 585147805 CPGKOTPOVJKJNJ-UHFFFAOYSA-N 311.337 3.373 0 40 DGAB Cc1cc(CN2CCC(COc3ccncc3Cl)CC2)no1 1849092919 FILKSTRBRXCOLM-UHFFFAOYSA-N 321.808 3.322 0 40 DGAB Cc1ccc(C(=O)Oc2ccc(=O)n(-c3ccccc3)n2)cc1C 362669 RZVDDZTWRPLGQK-UHFFFAOYSA-N 320.348 3.069 0 40 DGAB CC(=O)Nc1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1 482423 LCKCGGCWXXLITE-LBPRGKRZSA-N 311.337 3.073 0 40 DGAB O=C(Nc1cccc(F)c1)NC1C[C@H]2CCC[C@H](C1)N2C1CC1 1377519 PLCNUINTSSQPHW-IAGOWNOFSA-N 317.408 3.495 0 40 DGAB CCCCc1cc(=O)oc2cc(OCC(=O)O)c(Cl)cc12 2370866 RADNIFQJNZXAET-UHFFFAOYSA-N 310.733 3.252 0 40 DGAB COc1cc(NC(=O)[C@@H](N)Cc2ccccc2)cc2ccccc12 2575111 NWIDLOZVSJGOFK-SFHVURJKSA-N 320.392 3.357 0 40 DGAB CCc1cccc(NS(=O)(=O)c2cccc(C(C)=O)c2)c1 2643440 QXTKOKGTELKRPM-UHFFFAOYSA-N 303.383 3.252 0 40 DGAB COc1cc([C@H]2OC[C@]3(CO)[C@H](C)C=C(C)[C@H]2[C@H]3C)ccc1O 4027176 JVGXICUTXHMMNN-XOBZYRBZSA-N 318.413 3.299 0 40 DGAB C[C@@]12CCC[C@@H]1[C@@H]1CC(=O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@H]1CC2 4104931 OWZBXHMGYRJJON-RQOCCLJPSA-N 306.446 3.074 0 40 DGAB biogenic,in-vitro O=C(C1CCCC1)N1CCN=C1SCc1ccc(F)cc1 4119918 VUUWRDGUMFBAJY-UHFFFAOYSA-N 306.406 3.447 0 40 DGAB CC1CCN([C@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 4230593 XIBGVCAWTKMPPU-KRWDZBQOSA-N 313.449 3.150 0 40 DGAB O=C(CSc1nnc([C@@H]2CCCN2)o1)c1ccc(Cl)cc1 4283068 JSSYVYCZAYIYLB-NSHDSACASA-N 323.805 3.123 0 40 DGAB COc1ccc(/C=C2/CCn3c2nc(=O)c2ccccc23)cc1O 5021759 UMILRSWKNFHVMW-RAXLEYEMSA-N 320.348 3.055 0 40 DGAB Cc1c(C(=O)Nc2cccnc2)oc2c1[C@H](O)CC(C)(C)C2 5267234 VIUBUWYZBKWYDZ-GFCCVEGCSA-N 300.358 3.241 0 40 DGAB COc1cccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)c1 5399960 PDXZYOPCATWSDK-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccco1)c1ccc(C(C)C)cc1 5522968 BNFNWGNGXBIKDE-HNNXBMFYSA-N 315.369 3.437 0 40 DGAB COc1cccc(CNC(=O)COc2ccccc2Cl)c1 6790804 PYRWPPLMVKHNIO-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB COCCCNC(=O)c1cc(-c2ccncc2)nc2ccccc12 6919909 XFGYHRZGQVWEEJ-UHFFFAOYSA-N 321.380 3.063 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NOCc1ccccc1 8096869 ZPOCAIUNEMFKHG-UHFFFAOYSA-N 321.380 3.351 0 40 DGAB CCOc1cc(CNCCc2ccc(OC)cc2)ccc1OC 8254353 UUCDGKPUWWCDDB-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB Cc1cc(C)cc(OCCn2cnc3ccsc3c2=O)c1 8751782 HVACQZFRZTUIKZ-UHFFFAOYSA-N 300.383 3.154 0 40 DGAB Cc1nc(S[C@@H](C)C(=O)N(C)C)c2c(C)c(C)sc2n1 11135549 HUEFQGYJIQHVJT-VIFPVBQESA-N 309.460 3.185 0 40 DGAB Cc1cc(C(=O)Nc2ccc(NC(=O)c3ccco3)cc2)on1 11526290 QVEGNNVUXDGFRI-UHFFFAOYSA-N 311.297 3.081 0 40 DGAB CSc1nc2c(c(Nc3ccc4c(c3)OCCO4)n1)CCC2 11907809 RYHVTKCVIVTDCI-UHFFFAOYSA-N 315.398 3.202 0 40 DGAB CSc1nc2c(c(Nc3ccc(N(C)C)cc3)n1)CCC2 11907838 HIEHMBKEGLYLBG-UHFFFAOYSA-N 300.431 3.497 0 40 DGAB Cc1cc(Cl)ccc1OC[C@H](O)CN1C[C@@H](C)C[C@@H](C)C1 12170395 CGTWDODYBVWANC-DVOMOZLQSA-N 311.853 3.366 0 40 DGAB CC(=O)Nc1ccccc1C(=O)C(=O)Nc1cc(C)cc(C)c1 12445729 QPYHXHFAUCUPHD-UHFFFAOYSA-N 310.353 3.083 0 40 DGAB C[C@@H](NC(=O)Cc1ccccc1)c1ccc(-n2ccnc2)cc1 12539410 VXVXXAHSJWDPDR-OAHLLOKOSA-N 305.381 3.292 0 40 DGAB CCCCc1noc(CN2CCC(c3ccc(O)cc3)CC2)n1 12952999 HYQDGNNSHNZBEW-UHFFFAOYSA-N 315.417 3.497 0 40 DGAB O=S(=O)(c1ccccc1)N1N=C(C2CC2)C[C@H]1c1ccco1 13014110 IFZOKAJVKRLPCJ-HNNXBMFYSA-N 316.382 3.181 0 40 DGAB Cc1ccc(Cl)cc1S(=O)(=O)NCc1ccsc1 13725033 UTHCLWPAVYZOKK-UHFFFAOYSA-N 301.820 3.188 0 40 DGAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1C[C@H](C)O[C@@H](C)C1 13745612 XTDJRHNMWOHEGI-YQQAZPJKSA-N 305.418 3.097 0 40 DGAB O=C(NCC12CC3CC(CC(C3)C1)C2)c1cccnc1S 14073458 SFOXXDYIJSATQI-UHFFFAOYSA-N 302.443 3.317 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccc(F)cc2)cc1OC 15648985 UOCVMFIPYNCODL-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)COc2ccc3c(c2)CCC3)[C@@H]1C 15792292 FUVCXUZCNAREEJ-IYOUNJFTSA-N 301.430 3.495 0 40 DGAB Cc1cnc(C(=O)N(C)Cc2ccc(Cl)c(Cl)c2)cn1 15990553 XMZJFNKSXOBORA-UHFFFAOYSA-N 310.184 3.364 0 40 DGAB O=C([C@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCCCC1 16544899 ZURHGFZMDAQWGD-INIZCTEOSA-N 322.408 3.205 0 40 DGAB CCCCn1c(=N)n(C[C@@H](O)c2ccccc2)c2ccccc21 19854798 IAHKTJGHECZFPP-GOSISDBHSA-N 309.413 3.456 0 40 DGAB COc1ccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 20489529 CQWHCIUIZIIKGR-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)NCc2ccccc2Cl)C1 21670771 VLZHKZHVGVXWQY-MJBXVCDLSA-N 308.853 3.323 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](CN(C)C)c1ccccc1 21835691 HZSVIMPHWUINRK-INIZCTEOSA-N 313.401 3.120 0 40 DGAB COc1ccc(C(=O)Nc2cccc(Br)c2)cc1N 22216096 GCBDTDLYUPXTQM-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccc(-c2noc(COC(=O)c3ccsc3)n2)cc1 22538742 MPEYDCNFNJXQJU-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB CC(=O)N(CCn1cccn1)c1nc2c(C)cc(C)cc2s1 22604105 FTAAIWRKPIUFBX-UHFFFAOYSA-N 314.414 3.163 0 40 DGAB Cc1nn(C)c2sc(C(=O)Nc3ccccc3N(C)C)cc12 23176257 OPAMBXPWONFGMF-UHFFFAOYSA-N 314.414 3.262 0 40 DGAB COCC(=O)N1CCC(c2nc3cc(Cl)ccc3s2)CC1 23717356 KGXPWIDKQGZBTQ-UHFFFAOYSA-N 324.833 3.302 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)n1 27291672 CBLJFCGMZWATMQ-ZDUSSCGKSA-N 323.396 3.230 0 40 DGAB COc1ncccc1CNC(=O)c1cccc(C(F)(F)F)c1 31319459 SMYAQUXRUAEHIU-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB Cc1noc(C)c1CCC(=O)NCc1ccc(OC(F)F)cc1 32523277 LMLNVBNRNPIOGZ-UHFFFAOYSA-N 324.327 3.142 0 40 DGAB O=C(NCCn1cccn1)c1sc2ccccc2c1Cl 32609594 OOONNZUXKLVONQ-UHFFFAOYSA-N 305.790 3.181 0 40 DGAB CCCCc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 36379538 FJLPOHYIDNZJOA-UHFFFAOYSA-N 304.415 3.412 0 40 DGAB COCc1cccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)c1 36392821 HWIDVVGLWNINEZ-PBHICJAKSA-N 305.418 3.158 0 40 DGAB O=C(NCCSc1ccccc1)c1ccccc1-n1cccn1 40115456 IHAQWTPEODNANR-UHFFFAOYSA-N 323.421 3.394 0 40 DGAB CCCCn1c2ccccc2n2c(=O)cc(C(F)(F)F)nc12 40485110 KOJVSMHVSZUMKH-UHFFFAOYSA-N 309.291 3.468 0 40 DGAB Cc1noc(CCCC(=O)Nc2cc(C(C)(C)C)ccc2O)n1 45010801 NIOVJWGOVPMMPT-UHFFFAOYSA-N 317.389 3.343 0 40 DGAB CN(CCc1ccccc1)C(=O)c1ccc(Cn2cccn2)cc1 45179434 SJCJRXKJGZYJML-UHFFFAOYSA-N 319.408 3.246 0 40 DGAB Cc1cc(C)c2oc(-c3ccc(-n4cnnc4)cc3O)nc2c1 45920455 YFSWEWKEIGHDNF-UHFFFAOYSA-N 306.325 3.398 0 40 DGAB Cc1nccc(CNC(=O)Nc2cc(Cl)ccc2Cl)n1 48694414 DTUPDGRAGPNDBI-UHFFFAOYSA-N 311.172 3.414 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)C2(c3cccs3)CCCC2)o1 49026806 OJWUPOCSRJDFOH-ZDUSSCGKSA-N 319.426 3.311 0 40 DGAB Cc1ccc(CN2CC[C@H](c3nnc(-c4cccnc4)o3)C2)o1 49169683 ADMALIJLBZGECI-AWEZNQCLSA-N 310.357 3.023 0 40 DGAB biogenic,in-vitro COc1ccc(CCC(=O)N[C@H](C)COc2ccccc2)cc1 55730129 DXBZOPVXYNDSEY-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB COc1ccc(NC(C)=O)c(NC(=O)/C=C/c2ccccc2)c1 56177123 QZRVKSYRDHGMQN-DHZHZOJOSA-N 310.353 3.306 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCO[C@H]2CCC[C@H]21 56194080 DCENOQOADHXSSE-CABCVRRESA-N 304.777 3.215 0 40 DGAB c1ccc(-c2cc(CN3CCC(c4cc[nH]n4)CC3)on2)cc1 58218592 NCGKKLCTZVEMSP-UHFFFAOYSA-N 308.385 3.444 0 40 DGAB O=C(NCc1cc(-c2ccccc2)no1)c1ccc2c(c1)COC2 64488483 HBYRHBVADKEABP-UHFFFAOYSA-N 320.348 3.302 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)c1ccnc(NC2CC2)c1 65488290 CWCLHNQRCAFGEP-UHFFFAOYSA-N 300.387 3.242 0 40 DGAB COc1cccc(-c2cc3c(N4CCCCC4)nccn3n2)c1 67284823 GJWVUJSAQBFICT-UHFFFAOYSA-N 308.385 3.395 0 40 DGAB COc1ccccc1CN1CCC(NC(=O)OC(C)(C)C)CC1 67801111 KECVCJOKIGIRBF-UHFFFAOYSA-N 320.433 3.184 0 40 DGAB Cc1cc(C)cc(C(=O)NCC(=O)N(C)Cc2ccccc2C)c1 68868909 XOZUJYFIPOOXLG-UHFFFAOYSA-N 324.424 3.000 0 40 DGAB CCc1nc(CCNC(=O)[C@H]2C[C@@H]2c2ccccc2)sc1C 69493781 YNACBPCHRRXXSM-CABCVRRESA-N 314.454 3.476 0 40 DGAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)CCOCCOC 69569902 DXMSZSVQBGTWTD-ZWKOTPCHSA-N 319.445 3.224 0 40 DGAB O=C(C[C@@H]1CCCO1)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 71186509 TWDPFZJNAHCHQI-SUHUHFCYSA-N 313.319 3.247 0 40 DGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC(C)C)c12 71282479 YTYQHUZGJBLBNV-UHFFFAOYSA-N 322.412 3.330 0 40 DGAB Cc1ccc(NC(=O)N2CCSCC2)cc1OCC(F)F 71862729 YVCCJPDBLPRICS-UHFFFAOYSA-N 316.373 3.220 0 40 DGAB CCO[C@H]1C[C@H](NC(=O)c2ncoc2C(C)C)C12CCCC2 72303464 DYORIJRXYYYNFO-STQMWFEESA-N 306.406 3.266 0 40 DGAB CC(C)CCNC(=O)c1cn(CC(C)C)c(=O)c2ccccc12 72326028 LJOHUWSCISUNPH-UHFFFAOYSA-N 314.429 3.433 0 40 DGAB biogenic CCCN1CCN[C@@H](Cc2ccc(-c3cccs3)cc2)C1=O 72352733 KLDYFHBKLFIONQ-INIZCTEOSA-N 314.454 3.168 0 40 DGAB Cc1nc(C(=O)N2CC[C@@H](Cc3cccc4ncccc34)C2)co1 72367657 XDYPJXZTHUYHJK-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 72384878 DKZXUMYWEUKVPS-ZDUSSCGKSA-N 303.793 3.391 0 40 DGAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)Nc1nccs1 72733794 KOMZVXWOZHQKET-UHFFFAOYSA-N 322.337 3.282 0 40 DGAB CN(CCCNc1ccccc1)C(=O)c1ccncc1Cl 72910634 UBXSEBZDKVRFJZ-UHFFFAOYSA-N 303.793 3.309 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1 73921571 UJIKRGLVALAEDF-YPMHNXCESA-N 310.357 3.017 0 40 DGAB Cc1ccsc1CNC(=O)c1ccc(-c2ccccc2)[nH]c1=O 75117564 CETQTVGMJJPURZ-UHFFFAOYSA-N 324.405 3.342 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@H]1C[C@H](O)c1ccccc1 75542634 YQNWVWVDGAMRSP-IRXDYDNUSA-N 311.385 3.202 0 40 DGAB CC(C)n1cc(Br)cc1C(=O)OCC1(C)COC1 76879522 KRBGVOCMZBVMNZ-UHFFFAOYSA-N 316.195 3.025 0 40 DGAB CC(C)c1nc(C[S@@](=O)CC(=O)Nc2ccccc2)cs1 78394654 BEYVXMLGSZAMHY-NRFANRHFSA-N 322.455 3.154 0 40 DGAB COC(=O)c1ccoc1CNC(C)(C)c1ccccc1OC 78440877 BVKSMZMRYQUQAT-UHFFFAOYSA-N 303.358 3.100 0 40 DGAB CSC(C)(C)CNC(=O)Nc1cccc(-c2n[nH]c(C)n2)c1 78937095 VQZFGYQMAWDYGI-UHFFFAOYSA-N 319.434 3.043 0 40 DGAB COCCn1nc(C)c(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1C 79659798 MMJKTOBFLDWIAB-HUUCEWRRSA-N 319.449 3.323 0 40 DGAB CS[C@@H]1CCC[C@H]1NC(=O)NC(C)(C)c1ncc(C)s1 80155074 WXKVDSXOROPWGI-GHMZBOCLSA-N 313.492 3.270 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)c1ccsc1 84667429 KHWCPHXDTHUITJ-GXFFZTMASA-N 317.414 3.476 0 40 DGAB O=C(O)Cc1cccc(NC(=O)c2ccc(F)cc2Cl)c1 87844282 IBLHTRINIXSPQK-UHFFFAOYSA-N 307.708 3.359 0 40 DGAB COC(=O)Cc1cccc(NC(=O)c2cccc3cc[nH]c23)c1 89400970 SNNWFXPDNFKGIL-UHFFFAOYSA-N 308.337 3.136 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H](C)C[C@@H](O)c2ccccc2)o1 89652897 PWELAQKTKCJXGY-SUMWQHHRSA-N 301.386 3.149 0 40 DGAB Cc1cn2c(CN(C)C(=O)C3[C@H]4CCC[C@@H]34)c(C)nc2s1 89743407 SLXMVPPQSGOATC-ONXXMXGDSA-N 303.431 3.017 0 40 DGAB c1ccc(-c2csc(CN3CCC4(C3)OCCO4)c2)cc1 93013680 ILCUYMBXPNNEMI-UHFFFAOYSA-N 301.411 3.364 0 40 DGAB Cn1cnnc1-c1cncc(NCc2cc3cc(F)ccc3o2)c1 93110884 XJDDRKVCDAXJEE-UHFFFAOYSA-N 323.331 3.375 0 40 DGAB Cc1[nH]ccc1C(=O)N(CCCO)Cc1cccc(Cl)c1 95441462 BPEUZRDWUONHKQ-UHFFFAOYSA-N 306.793 3.001 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)NCc2cccc(C(=O)O)c2)s1 95970427 LKTKXEWWOYFXKZ-ZIAGYGMSSA-N 315.394 3.175 0 40 DGAB Cc1nc(N2CCC(n3cccn3)CC2)ccc1Br 96009700 GXHWUHLWMFNQQJ-UHFFFAOYSA-N 321.222 3.191 0 40 DGAB Cc1csc([C@@H](C)NCc2nc(-c3cccs3)no2)n1 96014074 YQQVURZDYGZQMX-SECBINFHSA-N 306.416 3.414 0 40 DGAB CC(C)c1cc(C(=O)Nc2ccccc2)nc(N2CCCC2)n1 96191993 BMGZMAAFBSSECK-UHFFFAOYSA-N 310.401 3.453 0 40 DGAB CCOC[C@@H]1CN(Cc2ccsc2)Cc2cn(CC)nc21 96198081 XBZIQLBJIZUOCK-HNNXBMFYSA-N 305.447 3.100 0 40 DGAB COCCNc1ccccc1CNC(=O)c1cccc2cc[nH]c12 96475912 FVAJVOKYESREHH-UHFFFAOYSA-N 323.396 3.156 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)NCCC1CC1 97080534 BLEIZIUBLIEJGP-HNNXBMFYSA-N 304.438 3.453 0 40 DGAB C[C@H](C(=O)O)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 97228700 VIUAJIBJFQRJAH-YVEFUNNKSA-N 322.364 3.360 0 40 DGAB CC(C)Cn1ncnc1CN1C(=O)c2cccc3cccc1c23 97233321 PJRDSGPCDRMPNQ-UHFFFAOYSA-N 306.369 3.248 0 40 DGAB O=C(O)c1ccc(OCc2ccc(Br)cc2)cc1O 138987661 DOCMJRQUOWWVSR-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NCCOc2cccnc2)cc1 169042098 UMOIHDULERYXEF-OAHLLOKOSA-N 322.412 3.305 0 40 DGAB Cc1cc(C)c(NC(=O)Nc2cnn(C)c2)cc1Br 187536385 GWVWNJTUTZPFEA-UHFFFAOYSA-N 323.194 3.443 0 40 DGAB COc1cc(-c2nc3cc(C=O)ccc3o2)cc(OC)c1OC 216797509 AOKXFCMMPIDWEH-UHFFFAOYSA-N 313.309 3.333 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C 222861121 ARMKZEZCWXPXGF-JKSUJKDBSA-N 314.458 3.409 0 40 DGAB C[C@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CC3)cn2)C1 224031467 JAONIIWDDHDRTB-TXEJJXNPSA-N 304.463 3.013 0 40 DGAB COc1cccc(CCC(=O)N[C@@H](C)c2ccncc2)c1F 225491607 UNBFFZJSXLHHCJ-LBPRGKRZSA-N 302.349 3.039 0 40 DGAB CN(C(=O)c1cccnc1O[C@H]1CCSC1)c1ccccc1 225726169 ROJRDXQDIJOHEF-AWEZNQCLSA-N 314.410 3.243 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccnc(OC2CCCC2)c1 244909662 APOGZIQJZCLFTQ-UHFFFAOYSA-N 314.360 3.472 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260890327 CCHXFRAQAFGXOH-SZMVWBNQSA-N 309.413 3.158 0 40 DGAB COc1cccc(C(=O)NCc2ccnc(-c3ccncc3)c2)c1 390826040 AHMLPMMWOMDYIQ-UHFFFAOYSA-N 319.364 3.082 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2)C1=O 409234517 LIKIOQNPZPAHES-FOWTUZBSSA-N 309.369 3.088 0 40 DGAB Cc1nnc([C@H](C)NC(=O)c2cccc(Cl)c2Cl)o1 531590436 DSPUHVBZPQDZNW-LURJTMIESA-N 300.145 3.176 0 40 DGAB CCCCCCNc1nc(C(=O)NCc2ccccc2)cs1 575444865 XWXBGGZZRWSCST-UHFFFAOYSA-N 317.458 4.065 0 40 DGAB COc1cncc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)n1 576442849 MRSBZAMLBYMHLK-QGZVFWFLSA-N 323.396 3.243 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccccc1OC)CC2 585103290 AQUVBJLOGVHGCW-KRWDZBQOSA-N 319.445 3.103 0 40 DGAB C[C@@H](c1cnn(C)c1)c1nc(CC[C@@H]2CC2(Cl)Cl)no1 585120230 AQLXIEHRRURPJS-WCBMZHEXSA-N 315.204 3.081 0 40 DGAB CCOC(=O)C[C@@H](n1cc(C)c(C(F)F)n1)C(F)(F)F 685936722 SXRIYXYQWPINAB-SSDOTTSWSA-N 300.227 3.186 0 40 DGAB Cc1ccccc1NC(=O)NCc1cc(-c2ccccn2)nn1C 1775965901 JKZISUPKXAAHFG-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB Cc1nnc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)s1 11916931 LIGAYDCNDVFVGP-UHFFFAOYSA-N 318.333 3.201 0 40 DGAB COc1ccc([C@@H]2CC(=O)c3sc(NC(C)=O)nc3C2)cc1 181437 HTNFNYKRUKYNPO-NSHDSACASA-N 316.382 3.023 0 40 DGAB C[C@H]1CCCN(C(=O)C2CCN(C[C@@H]3CC=CCC3)CC2)C1 317610 OLJQKWVTWYSZGV-DLBZAZTESA-N 304.478 3.313 0 40 DGAB C[C@@H](O)CC(C)(C)CNC(=O)CCOc1cccc(Cl)c1 76092372 ZPIMERAWZDOBEI-GFCCVEGCSA-N 313.825 3.022 0 40 DGAB C[C@@H]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 78651245 LMUBWYKQAOSWSA-BZNIZROVSA-N 322.355 3.106 0 40 DGAB Cc1ccc(NC(=O)NCCCCN2C[C@H](C)O[C@@H](C)C2)cc1 79064397 DYTFFNQWRCDKLN-HOTGVXAUSA-N 319.449 3.006 0 40 DGAB COC(=O)[C@@H]1CCCCCC[C@H]1NC(=O)Nc1cccc(F)c1 79097538 QOBBQRFNMUPJSL-HUUCEWRRSA-N 322.380 3.459 0 40 DGAB CC(=O)Nc1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 585075 BTTUDIYTUFTXHD-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@H]2C1 103121226 KGZGAVOSMRBVRK-HONMWMINSA-N 306.793 3.131 0 40 DGAB CCN(CC)C[C@@H](O)COC(c1ccccc1)c1ccccc1 3205140 DTCMJGIBNCISMP-LJQANCHMSA-N 313.441 3.495 0 40 DGAB CC(C)CCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 6325548 NBWDAGBGBBOKQJ-UHFFFAOYSA-N 303.189 3.094 0 40 DGAB CCS[C@@H]1CCCCN(Cc2nnc(-c3ccco3)o2)C1 69776167 MPBUTDMWCMDQJT-GFCCVEGCSA-N 307.419 3.437 0 40 DGAB CC(C)(C)CC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 23175333 DJLSSMDDXJJFBW-UHFFFAOYSA-N 317.433 3.151 0 40 DGAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1c1ccccc1 101275075 BHAMJIDEDQKSOW-AWEZNQCLSA-N 300.745 3.084 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](c3cccs3)n3nc(N)nc3N2)cc1 12469126 HUXVOPOYZBZYKB-STQMWFEESA-N 311.414 3.377 0 40 DGAB CCN(Cc1ccco1)C(=O)NC[C@H](c1cccs1)N(C)C 43145945 NUFVPTLTNQYZCJ-CQSZACIVSA-N 321.446 3.176 0 40 DGAB Cc1c([C@H](C)NC(=O)/C=C/c2ccc([C@H]3C[C@H]3C)o2)cnn1C 25001835 XBUGHCFKYQWQGM-DZZBCSMTSA-N 313.401 3.336 0 40 DGAB Cc1ccoc1C(=O)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55944999 CTJZVWAJPCYUBL-LSDHHAIUSA-N 303.333 3.377 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)N(CC(C)C)C2CC2)cc1 43951619 RJPFDMJVAQYKJW-UHFFFAOYSA-N 324.446 3.133 0 40 DGAB CCCOC(=O)c1nnc2sc(-c3ccc(Cl)cc3)nn12 57339012 WVBNEKRGTGGOFS-UHFFFAOYSA-N 322.777 3.073 0 40 DGAB CCN(Cc1nnc(C)o1)Cc1ccc(Br)s1 58063030 WREVXWWDDHYUEI-UHFFFAOYSA-N 316.224 3.224 0 40 DGAB COc1cccc(C(=O)Nc2ccc(C(=O)NC(C)C)cc2)c1 54317548 GASKUJISUXQDCY-UHFFFAOYSA-N 312.369 3.086 0 40 DGAB COCCN(CC(=O)c1c[nH]c2ccccc12)Cc1ccco1 58148131 DBAYRYYPDZCLOO-UHFFFAOYSA-N 312.369 3.092 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]2CCCC[C@H]21 58330789 VCMMXBRKCAIZTI-GOEBONIOSA-N 310.401 3.062 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)c1cnn(C)c1C 58378828 YVBLMMPTTWNEKT-CQSZACIVSA-N 301.390 3.073 0 40 DGAB O=C(NCC1CCCC1)N(Cc1ccncc1)Cc1cccnc1 58438041 HPRNNBOYODKVOJ-UHFFFAOYSA-N 324.428 3.379 0 40 DGAB CSc1nc2ccccc2c(=O)n1CC(=O)c1ccccc1C 57486407 PTIBCHJRRMYQDR-UHFFFAOYSA-N 324.405 3.310 0 40 DGAB O=C(Nc1ccccc1)c1ccc(Cn2ccccc2=O)cc1 11228006 YFJKWZOYDSNPEM-UHFFFAOYSA-N 304.349 3.149 0 40 DGAB CN(CC(=O)NC1CCCC1)Cc1csc2ccccc12 46089648 PHJJUYMEMWAFGZ-UHFFFAOYSA-N 302.443 3.392 0 40 DGAB CC(C)(C)OCCN1CCC[C@H]1c1ccc2c(c1)OCCO2 60061743 JUJIXQQDBYIGAQ-HNNXBMFYSA-N 305.418 3.410 0 40 DGAB O=C(NCc1ccc(C(F)(F)F)cc1)NCc1cccnc1 29657423 MTEYZHFFWPRQLS-UHFFFAOYSA-N 309.291 3.100 0 40 DGAB O=C(c1ccco1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797564 CTUMXGIFQCGMRF-CQSZACIVSA-N 313.353 3.418 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3435215 KQLFSXHBPKVYKI-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cccc(C)c2O)c1C 3457855 BTSZVOCDVGWRRH-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB CCOc1ccc(C(=O)NCc2c(C)noc2C)cc1OCC 62521450 XREYFSLRTDTTSD-UHFFFAOYSA-N 318.373 3.019 0 40 DGAB CCCN(CCC)C(=O)CSc1nccc(C(F)(F)F)n1 62639902 WSPDLHAXJVMMPB-UHFFFAOYSA-N 321.368 3.236 0 40 DGAB Cc1cccc(NC(=O)N(C)Cc2ccc3c(c2)OCCO3)c1 8749618 WHTOFBAOYXELNQ-UHFFFAOYSA-N 312.369 3.430 0 40 DGAB C[C@@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(Cl)cc1Cl 49525132 JQUXKRQGIWFAIL-SECBINFHSA-N 311.168 3.118 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)C2CCN(C(=O)C(C)(C)C)CC2)[C@@H]1C 39514849 PUAIZRMCIVHZTF-IIAWOOMASA-N 322.493 3.212 0 40 DGAB COC(=O)c1cn(Cc2ccccc2Cl)nc1C(F)(F)F 408717834 WXBMCOHWPXMCOW-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1ccccc1F 4332913 DVTOWFVCDBIHEI-UHFFFAOYSA-N 309.406 3.073 0 40 DGAB O=S(=O)(NC1CCCCCCC1)c1ccc(F)cc1F 13938499 VQAZSOXPGZBCPU-UHFFFAOYSA-N 303.374 3.356 0 40 DGAB CCOc1ccc(CN2CCC[C@@H](c3cn[nH]c3)C2)cc1OC 92810116 SRSACEXFEPLWHC-OAHLLOKOSA-N 315.417 3.197 0 40 DGAB COc1ccc([C@@H](NC(=O)[C@H]2CCCO2)c2ccccc2)cc1 14184302 DOSVRVXQIJUYGB-MSOLQXFVSA-N 311.381 3.080 0 40 DGAB C[S@@](=O)c1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 66321001 ZDGRVUYLMXONOC-NRFANRHFSA-N 305.443 3.361 0 40 DGAB COc1ccccc1NC(=O)c1cc(=O)c2ccc(C)cc2o1 6811233 OUMLYHKYLTVMDV-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCCCNc1c(F)cc2c(=O)c(C(=O)O)cn(CC)c2c1F 71316703 MHFDTSYJALIUOZ-UHFFFAOYSA-N 324.327 3.210 0 40 DGAB C[C@H](CCc1c[nH]c2ccccc12)NCc1n[nH]c2c1CCC2 67758209 VUHFEBVEQJGIPA-CYBMUJFWSA-N 308.429 3.491 0 40 DGAB Cc1ccc([C@H](CNC(=O)c2cccc(Cl)c2)N(C)C)o1 15860144 STLHTJQITRNVDZ-AWEZNQCLSA-N 306.793 3.274 0 40 DGAB CC(C)N(C(=O)[C@@H](C)Oc1ccc2ccc(=O)oc2c1)C(C)C 7634477 GOWKIDSMXHIEHU-CYBMUJFWSA-N 317.385 3.206 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCCSc1ccccn1 20240075 CKKOVYVHCUYMIZ-RMKNXTFCSA-N 302.374 3.142 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1cccnc1 69201081 SWYYPIHQLCHYIF-CQSZACIVSA-N 321.384 3.209 0 40 DGAB CN1C(=O)Cc2cc(-c3csc(-c4ccccn4)n3)ccc21 8297233 ZIAAQVFVTKFCSY-UHFFFAOYSA-N 307.378 3.391 0 40 DGAB Cc1c2c(=O)n(-c3ccccc3)nc-2cc(O)n1CCC(C)C 36584676 PSOCCCRECTVOPI-UHFFFAOYSA-N 311.385 3.199 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)N[C@@H](C)c1cccs1 8327212 JWMKNVXNHYWIRY-ZDUSSCGKSA-N 316.426 3.054 0 40 DGAB CCc1noc([C@H](C)N(C)Cc2ccc(OC(F)F)cc2)n1 69414883 YSINSTPZSCBOBB-JTQLQIEISA-N 311.332 3.426 0 40 DGAB COC[C@H](C)NC(=O)N(Cc1ccc(OC)cc1)[C@H](C)C1CC1 69419154 IDXYHWGLHGPEEZ-UONOGXRCSA-N 320.433 3.040 0 40 DGAB O=C(CCc1cscn1)N[C@H]1CCC[C@H]1Oc1ccccc1 71902924 NKDCCHUHLWXSHU-JKSUJKDBSA-N 316.426 3.192 0 40 DGAB CC(=O)Nc1cccc(COC(=O)CO[C@H]2CCC[C@@H](C)C2)c1 71903234 RCICUXDWBCMFMG-DYVFJYSZSA-N 319.401 3.284 0 40 DGAB Cc1nc(CN(C)C(=O)Nc2nc(CC(C)(C)C)cs2)no1 97080999 OUTHPTYAPMPJAH-UHFFFAOYSA-N 323.422 3.087 0 40 DGAB COc1cc(C(=O)NCCC[C@@H]2CCC[C@H]2O)ccc1Cl 97022236 NVZZJTCASQNVEV-SMDDNHRTSA-N 311.809 3.020 0 40 DGAB COCc1ccc(C(=O)N2CCSC[C@H]2c2ccccc2)o1 72286097 VGWWEDFBYIWJGC-HNNXBMFYSA-N 317.410 3.356 0 40 DGAB C[C@H](CSc1ccccc1)C(=O)NCCCCCC(=O)O 95424989 KWIPAMYXJWLZIU-CYBMUJFWSA-N 309.431 3.176 0 40 DGAB Cc1nsc(NCc2cccc(C(=O)N3CCCCC3)c2)n1 95403072 SILMQWZXKASGRP-UHFFFAOYSA-N 316.430 3.085 0 40 DGAB CCSc1ccc(C(=O)N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)cn1 75145100 DFXQDFWFUFGKAJ-CFVMTHIKSA-N 320.458 3.079 0 40 DGAB COc1ccc(C[C@](C)(N)CNc2cnc3ccccc3n2)cc1 89904147 JICULLCUNPMVJG-IBGZPJMESA-N 322.412 3.010 0 40 DGAB CCn1c(CN[C@@H](C)[C@H](C)n2cccn2)nc2c(F)cccc21 75606681 YMSUUVGULZRCEJ-STQMWFEESA-N 315.396 3.131 0 40 DGAB Cc1nc(C)c(CCN[C@@H](C)c2cn3ccccc3n2)s1 548056476 XLYFOJANZPQRJV-NSHDSACASA-N 300.431 3.301 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@@H]2C)CC1=O 408709270 YRMGWGAZBILHLT-NUEKZKHPSA-N 314.429 3.043 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2CO)cc1 37312108 KUXOFRRDCZQDOK-UHFFFAOYSA-N 305.761 3.158 0 40 DGAB Cc1ccc(C(=O)NC[C@H](O)c2cccc(C(F)(F)F)c2)o1 78664761 AZNVUZNBFAOBED-LBPRGKRZSA-N 313.275 3.070 0 40 DGAB Cn1c(C(=O)Nc2nnc(C3CC3)s2)cc2cc(F)ccc21 72404219 CXJCZWBMBWARFC-UHFFFAOYSA-N 316.361 3.299 0 40 DGAB COc1ccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc2c1 33809476 HGVQZEANCAJHNR-LBPRGKRZSA-N 323.348 3.293 0 40 DGAB Fc1ccc(N2CCN(c3cnnc4ccccc34)CC2)cc1 41122893 OEJXBXYKXZTTBT-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB Fc1ccc([C@@H](NCC[C@@H]2CCCO2)c2ccccc2)nc1 195560613 KZGQKDTVRXWEDA-WMZOPIPTSA-N 300.377 3.469 0 40 DGAB Cn1ncc2ccc(CNC(=O)c3cccc(Cl)c3F)cc21 571342488 ASYGORLDMLBQAA-UHFFFAOYSA-N 317.751 3.296 0 40 DGAB C[C@@H](CN1CCC(OC[C@@H]2CCOC2)CC1)c1ccc(F)cc1 195573454 JDEQKWVWWXOPSE-JKSUJKDBSA-N 321.436 3.447 0 40 DGAB CCCOc1c(OCC)cc(Br)cc1C(=O)O 225281914 XFHBVSWPGVQRIT-UHFFFAOYSA-N 303.152 3.335 0 40 DGAB CC[C@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)c1nccs1 190579585 JGVUHZCWXUYZKI-NSHDSACASA-N 311.451 3.193 0 40 DGAB CC[C@@H](NC(=O)c1cc2ccccn2c1)c1c(C)nn(C)c1C 96443180 WVQXHNFGADKENU-MRXNPFEDSA-N 310.401 3.171 0 40 DGAB Cc1csc([C@H]2CN(CCCc3ccccc3)CCO2)n1 97199603 CYWLWBXBEBVPEJ-MRXNPFEDSA-N 302.443 3.458 0 40 DGAB COc1ccc([C@H](NC(=O)C[C@@H]2CCCC[C@H]2O)C(C)C)cc1 330655460 NWACIWASNGCUFN-KVSKMBFKSA-N 319.445 3.450 0 40 DGAB COC(=O)c1ccc([C@H](C)N2CCC[C@@H]2c2cnn(C)c2C)o1 96490654 OMFJNUMRWVTLIR-GXTWGEPZSA-N 317.389 3.006 0 40 DGAB O=C(c1ccc(OC(F)(F)F)cc1)N1Cc2cccnc2C1 582194642 TYSBFJJHIHCRAQ-UHFFFAOYSA-N 308.259 3.136 0 40 DGAB COc1ccccc1C[C@@H](C)NC[C@](C)(O)c1ccsc1 95423039 PKBGAXJQRDDWDW-DYVFJYSZSA-N 305.443 3.185 0 40 DGAB Cc1csc(C(=O)N2CCC(Oc3cccc(C)n3)CC2)c1 96119543 KOZFOFGJOPQNKB-UHFFFAOYSA-N 316.426 3.444 0 40 DGAB Cc1ncc(-c2nccnc2[C@@H]2CCCN(CC(C)C)C2)n1C 257216535 CUYJRMQPNXLDML-OAHLLOKOSA-N 313.449 3.021 0 40 DGAB CCN(C(C)=O)[C@@H]1CCOC2(CCN(c3ccccc3)CC2)C1 257264783 LVZYVUYBAMWINI-GOSISDBHSA-N 316.445 3.073 0 40 DGAB CC(C)CN1CCC(c2c(C(N)=O)sc3ncccc23)CC1 257296724 RECNIQYTYRAMPX-UHFFFAOYSA-N 317.458 3.231 0 40 DGAB CC[C@](NC(=O)c1ccc(C)s1)(C(=O)O)c1ccccc1 262433227 OQWOWEUKTYRJGB-MRXNPFEDSA-N 303.383 3.176 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccn3C)N21 260766187 JFDTUXYKYFEBFE-WQVCFCJDSA-N 312.442 3.400 0 40 DGAB O=C(O)c1cc(C(F)(F)F)n(Cc2ccccc2Cl)n1 685936604 KHYJGTUDHYJFEK-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB Cc1ccccc1NC(=O)N1CCCN([C@H]2CCSC2)CC1 1565522577 KUPFMNNWNSKNKI-HNNXBMFYSA-N 319.474 3.040 0 40 DGAB Brc1ccc(-c2noc(CCc3ccncc3)n2)o1 89799894 PHSVLDQGXVFCQI-UHFFFAOYSA-N 320.146 3.272 0 40 DGAB C[C@H](c1cnn(C)c1)c1nc(CC[C@H]2CC2(Cl)Cl)no1 585120229 AQLXIEHRRURPJS-SCZZXKLOSA-N 315.204 3.081 0 40 DGAB CCCn1cc(N[C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cn1 95944507 UQRNXKJBMVDHMG-KBPBESRZSA-N 308.426 3.151 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5094062 DNSNXIZTHNIXQW-QOBDMFJFSA-N 305.761 3.110 0 40 DGAB CCn1c2ccccc2c2cc(N3C(=O)[C@@H](C)NC3=S)ccc21 15569413 DZZMDDPOXHFPTJ-LLVKDONJSA-N 323.421 3.424 0 40 DGAB O=C(Cc1cccs1)NC[C@H]1CCCN1c1ccccc1 206784446 AMUYYKNBVUXQBZ-OAHLLOKOSA-N 300.427 3.076 0 40 DGAB Cc1ccc(F)c(CN[C@H](C[S@](C)=O)c2ccccc2)c1 154707200 JIZNWQKZXVJSAY-DYESRHJHSA-N 305.418 3.344 0 40 DGAB COc1ccccc1OCC(=O)Nc1nc(CSC)cs1 12230149 FGJCYRGDIYOUQC-UHFFFAOYSA-N 324.427 3.032 0 40 DGAB Nc1c(-c2ccc(Br)cc2)nnn1-c1ccccc1 1080964605 GZOYTKKFNFYGKT-UHFFFAOYSA-N 315.174 3.279 0 40 DGAB CCN(CC)C(=O)c1cccnc1Oc1ccccc1OC 20031171 MQYDDHMYENMQFG-UHFFFAOYSA-N 300.358 3.365 0 40 DGAB CCCCNC(=O)NCc1ccc(N2CCCCCC2)nc1 40119855 HIEIBWAVYHKUFM-UHFFFAOYSA-N 304.438 3.061 0 40 DGAB COc1cccc(NC(=S)NC(=O)c2cccc(C)c2)c1 361252 PQWXGNXZJNMZRN-UHFFFAOYSA-N 300.383 3.130 0 40 DGAB Cc1ccccc1OCC(=O)Nc1noc(-c2ccccc2)n1 21800322 ONWISIKCELBZQV-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(=O)N(C2CCCCC2)C1 8816440 BBWOLKDDWKZFFG-NSHDSACASA-N 322.355 3.085 0 40 DGAB CC1=C[C@@H](O)[C@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 1637025 MXANCGMHRZANOV-SFYZADRCSA-N 306.246 3.195 0 40 DGAB CC(C)NC(=O)Nc1ccccc1C(=O)N(C)c1ccccc1 52930858 LPHUAJMDECZQSI-UHFFFAOYSA-N 311.385 3.493 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cc(F)ccc1F 78896990 XIRBSCIULUCRRS-NVGCLXPQSA-N 322.399 3.262 0 40 DGAB COC(=O)c1c(N[C@H]2OC(=O)c3ccccc32)sc(C)c1C 4384828 PWRAWYLKDJUGIT-ZDUSSCGKSA-N 317.366 3.433 0 40 DGAB Cc1noc(C)c1COc1ccccc1C(=O)NCC(C)C 22689848 JOOHTPPLRWEFIA-UHFFFAOYSA-N 302.374 3.256 0 40 DGAB CCc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2C)n1 6821696 GPEMCVYCXLUGNT-UHFFFAOYSA-N 310.810 3.060 0 40 DGAB CCOC(=O)[C@H](CC)[C@@]1(C)NN=C(c2ccc(C)cc2)S1 7070014 NSLVFVURPJWIEP-BBRMVZONSA-N 306.431 3.299 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2ccccc2C)C1=O 101275243 DLZCJLYFRJPWRC-INIZCTEOSA-N 308.381 3.301 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1cccc(Cl)c1Cl 809514 WKXILERNVNIESM-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB C[C@@H](NC(=O)COC(=O)c1c[nH]c2ccccc12)c1ccccc1 8429440 FKQDOORSVPUMFZ-CYBMUJFWSA-N 322.364 3.202 0 40 DGAB COc1cc(CNC(=O)N[C@H](C)c2cccc(Cl)c2)ccn1 12545864 ZWAYYNRARQOANB-LLVKDONJSA-N 319.792 3.304 0 40 DGAB Cc1ccc(NC(=O)CSCC(=O)N2CCCC[C@H]2C)cc1 23977973 RYNPNVJHPRDXEO-CQSZACIVSA-N 320.458 3.068 0 40 DGAB O=C(Nc1ncccc1O)c1ccc(C(=O)c2ccccc2)cc1 24746484 JWQRXWUNCADMIE-UHFFFAOYSA-N 318.332 3.271 0 40 DGAB Cn1c(SCc2ccccc2F)nc(C(F)(F)F)cc1=O 1400819 UBXIKLNSFZBGPE-UHFFFAOYSA-N 318.295 3.231 0 40 DGAB Cc1[nH]c(C(=O)N2CCC(C)CC2)c(C)c1C(=O)OC(C)C 12615319 SZBUFKITAVUDHE-UHFFFAOYSA-N 306.406 3.069 0 40 DGAB CS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 72287112 VKGCZCNWWJLYNF-LSDHHAIUSA-N 306.431 3.049 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2sccc2C1 57438487 OUKODFNAPCPUHH-JTQLQIEISA-N 321.833 3.182 0 40 DGAB CCc1cccc(C(=O)OC)c1NC(=O)c1c(CC)noc1C 72288139 OKWLYOIWMHGEAU-UHFFFAOYSA-N 316.357 3.147 0 40 DGAB COc1ccc(C(=O)[C@H](C(C)=O)C2SCCCS2)cc1 101461140 KPSIKDJPTWWYAT-ZDUSSCGKSA-N 310.440 3.279 0 40 DGAB CC1=NN(c2ccc(C(=O)Nc3ccnn3C(C)C)cc2)CC1 45083240 IWCCTQRNGHVUDL-UHFFFAOYSA-N 311.389 3.302 0 40 DGAB Cc1ccc(NC(=O)CSc2nc3n(n2)CCCCC3)cc1 28527225 AKVKIRUQNDBAIM-UHFFFAOYSA-N 316.430 3.044 0 40 DGAB COc1cc(NC(=O)COc2ccccc2)c(OC)cc1Cl 2592783 SDLHILPWFCXZNZ-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1cccc(Cl)c1)c1ccco1 12875474 XQGCLHUGKKUICO-ZDUSSCGKSA-N 307.781 3.357 0 40 DGAB C[C@H](NC(=O)CN(C)Cc1cccc(F)c1)c1ccccc1 3456923 DNLVOUBODJOICI-AWEZNQCLSA-N 300.377 3.135 0 40 DGAB COc1ccc(CCSc2nc3nc(C)cc(C)n3n2)cc1 3553419 SWWBPSDXLNGRTJ-UHFFFAOYSA-N 314.414 3.085 0 40 DGAB Cc1cc2occ(CC(=O)N[C@@H](CC(C)C)C(=O)O)c2cc1C 72427683 NGLAOHSVBXSGGJ-HNNXBMFYSA-N 317.385 3.208 0 40 DGAB C[C@H]1CCCCN1C(=O)c1cc2sc(N(C)C)nc2s1 48910678 NWNNGUOFGOQWAE-VIFPVBQESA-N 309.460 3.438 0 40 DGAB CCc1nnc2ccc(N[C@H](c3ccccc3)[C@H]3CCCO3)nn12 172145313 BPJHGPSCLRYIQF-RDTXWAMCSA-N 323.400 3.019 0 40 DGAB Cn1cnnc1-c1cncc(NCc2cccc3cccnc23)c1 93110780 RNXYLLPRHAYTOH-UHFFFAOYSA-N 316.368 3.037 0 40 DGAB CC(C)COC[C@@H](NC(=O)Nc1ccncc1)c1ccco1 65537631 RINUGGYHQINFBP-CQSZACIVSA-N 303.362 3.210 0 40 DGAB C[C@H](OC(=O)C1CCCC1)C(=O)Nc1ccc2c(c1)CCC2 14244820 SGUXRBCOQVIFQJ-LBPRGKRZSA-N 301.386 3.236 0 40 DGAB Cc1cccc(C(=O)NC(=S)Nc2cc(C)c(C)cc2O)c1 4703840 CXRUEFDAKWPKKD-UHFFFAOYSA-N 314.410 3.444 0 40 DGAB O=C(CN1c2cccc3cccc(c23)S1(=O)=O)c1ccccc1 5681143 GOLGLMYSOBNYNU-UHFFFAOYSA-N 323.373 3.231 0 40 DGAB CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC)o1 6707321 ZQSGJTCCWCBTLH-IUCAKERBSA-N 301.412 3.403 0 40 DGAB CCOc1cc2c(cc1CNC(=O)c1ccccc1)O[C@@H](C)C2 6789785 LHWYXBDUNOSCPK-ZDUSSCGKSA-N 311.381 3.339 0 40 DGAB Cc1cc(C)cc(O[C@@H](C)C(=O)NC(=O)Nc2ccccc2)c1 5724867 CZWRDRXEHVIQLY-AWEZNQCLSA-N 312.369 3.419 0 40 DGAB CCN(CC1CC1)C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 84774539 BBOAHFLDUFXHQV-UHFFFAOYSA-N 310.401 3.017 0 40 DGAB O=C(NC1CCSCC1)[C@H]1CCCCN1Cc1ccccc1 95400376 WHZDWOSBUIYWJM-QGZVFWFLSA-N 318.486 3.053 0 40 DGAB c1ccc(-n2nnnc2SCc2nc3ccccc3o2)cc1 7339907 AVOOUVRJQCMDEX-UHFFFAOYSA-N 309.354 3.096 0 40 DGAB CC(=O)Nc1ccc(CC(=O)OC/C=C/c2ccccc2)cc1 7513249 IOUPBSXXMUSQLG-VMPITWQZSA-N 309.365 3.444 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@@H]1CN1CCCCC1 68131949 NVRCXCUHVHPMDB-QGZVFWFLSA-N 323.440 3.325 0 40 DGAB O=C(Cc1noc2ccccc12)OCc1cc(-c2ccco2)on1 7866036 UCWXDKIRFLTLNS-UHFFFAOYSA-N 324.292 3.362 0 40 DGAB Cc1cccc(OCCNC(=O)CCc2nc3ccccc3o2)c1 7990517 SWDIJVUQKNDYGN-UHFFFAOYSA-N 324.380 3.264 0 40 DGAB COc1cc(C)c(NC(=O)NCCOCCC(C)C)cc1OC 69384338 DRCGHBWUDVRBLI-UHFFFAOYSA-N 324.421 3.196 0 40 DGAB O=C(CCc1cccnc1)NC1(c2ccc(Cl)cc2)CC1 71899810 CEISZESYRLAMPI-UHFFFAOYSA-N 300.789 3.473 0 40 DGAB Cc1cccc(C2(C(=O)N(C)Cc3nccn3C)CCCC2)c1 69442076 BQHHWTHWSIWNAV-UHFFFAOYSA-N 311.429 3.199 0 40 DGAB C[C@@H](Nc1cccc(-c2ccsc2)c1)C(=O)N1CCOCC1 69442090 DQUTYHCQZZVSGI-CYBMUJFWSA-N 316.426 3.074 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C)CC1CCN(CCO)CC1 69952072 SAXDQNJHJFAMAY-CQSZACIVSA-N 310.869 3.037 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Nc2cc(C)ccc2OC)cc1 8705514 PBKCLMAPMNBTSX-ZDUSSCGKSA-N 314.385 3.451 0 40 DGAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H]2CC=CC[C@@H]2C1 98020617 HGBJFVZFPATBRM-BRWVUGGUSA-N 318.461 3.476 0 40 DGAB c1ccc2oc([C@H]3CCCN(c4nc(C5CC5)no4)C3)nc2c1 89874909 YKSDFBFRMHPPTL-LBPRGKRZSA-N 310.357 3.472 0 40 DGAB CCC[C@H](NC(=O)c1c[nH]c(C)cc1=O)c1ccc(F)cc1F 89949738 LEKJKHNDZQSKGZ-HNNXBMFYSA-N 320.339 3.233 0 40 DGAB O=C(NCc1nc2ccccc2s1)[C@H]1CCc2cccc(O)c21 552798587 UGNMBQXQLJWVOD-LBPRGKRZSA-N 324.405 3.348 0 40 DGAB Cc1cc(CCNC(=O)c2oc(C(C)C)nc2C)cc(C)c1O 505390391 VAWUPUAGFDGESF-UHFFFAOYSA-N 316.401 3.401 0 40 DGAB O=C(O)[C@H]1C[C@@H](C(=O)N(Cc2ccsc2)c2ccccc2)C1 1517349464 HYPRGJCNENXLSJ-OKILXGFUSA-N 315.394 3.392 0 40 DGAB CC(C)N(Cc1ccccn1)C(=O)[C@H]1CCc2ccccc2O1 519587482 LLEDTTQJVRQWQI-GOSISDBHSA-N 310.397 3.212 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(F)c2)[C@@H]1C(=O)O 72233732 ZIKWSBOIRBANGX-GXTWGEPZSA-N 323.364 3.078 0 40 DGAB O=C(NCC[C@@H](O)c1ccco1)c1ccc(C(F)(F)F)cc1 77111086 NPVPMQKSSDWETH-GFCCVEGCSA-N 313.275 3.152 0 40 DGAB COc1ccc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)cc1 225023289 XOMYOHLYNMHXHE-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cc3ccccc3n2C)cc1 40285768 ADHDTKINFYISCJ-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB O=C(NCC1CC1)c1cccc(OCc2cn3ccccc3n2)c1 43752555 UVEVFMCBBPGVTC-UHFFFAOYSA-N 321.380 3.053 0 40 DGAB CC1CCN(c2ncc3c(n2)CN(C2CCCCC2)C3=O)CC1 46088807 QQHXBRIMHOLFHA-UHFFFAOYSA-N 314.433 3.001 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)c1ccc(Br)c(N)c1 40294137 OXOFIVRRWNGEDT-TVQRCGJNSA-N 311.223 3.340 0 40 DGAB COc1ccc(C(=O)NCCCc2ccc(F)cc2)cc1F 225392640 HBJFCILBOFRRTB-UHFFFAOYSA-N 305.324 3.336 0 40 DGAB CSc1ccccc1C(=O)NC[C@H](C)N1CCC[C@H](C)C1 46953072 CBZLHTBNBZYFFM-KBPBESRZSA-N 306.475 3.259 0 40 DGAB C[C@@H]1CC[C@@H](CN2CCC(OCc3ccccc3F)CC2)O1 225598169 HUUUNAYJZGXZED-PBHICJAKSA-N 307.409 3.374 0 40 DGAB CC(C)N(C)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 199799743 NURQDKGHUCNMIQ-UHFFFAOYSA-N 313.739 3.391 0 40 DGAB CCOc1cc(C(=O)N2CC=C(c3ccc(O)cc3)CC2)ccn1 96409812 DGEKLWRZYZYKBM-UHFFFAOYSA-N 324.380 3.115 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1 96494078 CTBLLXABCHJVNQ-LBPRGKRZSA-N 321.833 3.114 0 40 DGAB c1ccc(O[C@H]2COC3(CCN(c4cccnc4)CC3)C2)cc1 96073200 YNEPHINJUMWMAU-GOSISDBHSA-N 310.397 3.289 0 40 DGAB CC[C@](C)(OC)c1noc(Cc2ccc3c(c2)CCCO3)n1 579712013 LWFIYAWJMZKWJB-KRWDZBQOSA-N 302.374 3.257 0 40 DGAB Cn1ccc2ccc(C(=O)NCc3c(F)cccc3F)cc21 96232292 QCASCMRHTOIBLG-UHFFFAOYSA-N 300.308 3.387 0 40 DGAB CS[C@H](C)Cc1nc(-c2ccncc2Br)no1 585120402 LRBBZUUWGOAGTI-SSDOTTSWSA-N 314.208 3.188 0 40 DGAB Cc1cccc(CN2CCCC[C@H]2c2ccn3ccnc3n2)n1 257331714 XTYLWOFZSSHTDE-KRWDZBQOSA-N 307.401 3.160 0 40 DGAB CCN1CC[C@@H](c2cc(Nc3ncc(C)s3)nc(C)n2)C1 257254530 KDMUBDMYVDVKBH-GFCCVEGCSA-N 303.435 3.103 0 40 DGAB COC(=O)N1CCc2ccc(NC(=O)[C@@H]3CC=CCC3)cc2C1 96096281 JVVJHTLECQKRHH-CQSZACIVSA-N 314.385 3.106 0 40 DGAB Cc1ccc(C(=O)N2C[C@@H]3CCC(=O)c4cccc2c43)nc1C 298674985 UIYXVCHXZHMNDG-ZDUSSCGKSA-N 306.365 3.419 0 40 DGAB CC[C@](CNC(=O)c1ccc(OC)cc1)(OC)c1ccccc1 96391564 IQUOHITUTOODCV-LJQANCHMSA-N 313.397 3.377 0 40 DGAB NC(=O)Cc1ccc(Nc2ncnc3c2oc2ccccc23)cc1 25574095 QTUDHNNGBXEXHY-UHFFFAOYSA-N 318.336 3.147 0 40 DGAB CC(C)COC1CCN(C(=O)CCc2ccccc2F)CC1 55909904 MGUXUWRIZVTHOI-UHFFFAOYSA-N 307.409 3.422 0 40 DGAB Cc1ccc(CN[C@@H]2CCN(CCc3ccccc3)C2)s1 50225375 PLEYYHQBFZRUOA-QGZVFWFLSA-N 300.471 3.463 0 40 DGAB COc1ccc(-c2nnc(SCC(F)F)o2)cc1OC 78535679 SKLNAFNUHVENNY-UHFFFAOYSA-N 302.302 3.111 0 40 DGAB Cc1nc(N[C@@H](C)C(=O)N2CCCCC2)nc(C)c1CC(C)C 80226169 WOAPKAKUOFFMCQ-HNNXBMFYSA-N 318.465 3.105 0 40 DGAB CC[C@H](CSC)NC(=O)Nc1ccc(-c2nnc(C)o2)cc1 95984822 DPIMELAQOPYPOU-GFCCVEGCSA-N 320.418 3.308 0 40 DGAB Cc1cccnc1OCC1CCN(c2ccnc(C3CC3)n2)CC1 585532201 LLUQZEJWXNIAJB-UHFFFAOYSA-N 324.428 3.353 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccccc2)c(OC)c1OC 571812 IHXFKDRVKBDUKG-ZRDIBKRKSA-N 313.353 3.364 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)N1c2ccccc2C[C@@H]1C 11614180 FTYLZIMKRHBYHX-ZDUSSCGKSA-N 317.410 3.144 0 40 DGAB Cc1cc(C)c2nc3c(cc2c1)CN(Cc1ccco1)C(=O)CO3 12113093 QFURLPRJAJWVAX-UHFFFAOYSA-N 322.364 3.366 0 40 DGAB CC[C@H](NC(=O)c1cc(C2CC2)nn1C)c1ccc(F)cc1 12199777 DRBZPURZXXRVIK-AWEZNQCLSA-N 301.365 3.318 0 40 DGAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)C1CCCCC1 14201161 FNLTZLMFEBBFEW-UHFFFAOYSA-N 305.809 3.112 0 40 DGAB CCSc1nnc([C@@H]2CCCN(Cc3ccco3)C2)n1CC 19524204 QSVVQHGVINGEBX-CYBMUJFWSA-N 320.462 3.383 0 40 DGAB CC(C)n1ncc2c(C(=O)N[C@H](C)C3CC3)cc(C3CC3)nc21 9576996 HJVXGWYPMQFAKJ-LLVKDONJSA-N 312.417 3.418 0 40 DGAB COc1ccc(CNCc2ccccc2Br)cn1 20186460 MYSXRCUXOJPSCP-UHFFFAOYSA-N 307.191 3.143 0 40 DGAB O=C(c1ccccc1C(F)(F)F)N1CC(Oc2cccnc2)C1 238860959 KQOFNUHGAXDEHR-UHFFFAOYSA-N 322.286 3.004 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)N1CCN=C1SC 244537 GQVLNPOUAFNZNS-UHFFFAOYSA-N 314.410 3.413 0 40 DGAB Cc1[nH]c2ccccc2c1SCCNC(=O)c1ccncc1 2721127 JTIDFQVOZZYLAO-UHFFFAOYSA-N 311.410 3.393 0 40 DGAB CNC(=O)c1ccsc1NC(=O)Cc1ccc(SC)cc1 10252373 ZFMULAAVCAGFMY-UHFFFAOYSA-N 320.439 3.011 0 40 DGAB Cc1cc(C)n([C@@H](CNC(=O)c2ccoc2)c2ccsc2)n1 575614206 PJDCUDNVYXBTBW-HNNXBMFYSA-N 315.398 3.174 0 40 DGAB C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@@H](C)O1 17032392 DKONQWULBIYMPP-TXEJJXNPSA-N 311.809 3.133 0 40 DGAB CN(C)c1cc(CNC(=O)c2csc3c2CCCC3)ccn1 40087523 RBLXLWKMSMMMHK-UHFFFAOYSA-N 315.442 3.018 0 40 DGAB O=C1OC(c2ccc(Br)cc2)=N/C1=C\c1ccco1 62925 CEUKGIXHGCKZOW-WQLSENKSSA-N 318.126 3.387 0 40 DGAB Cc1cc(=O)n2c3ccccc3n(Cc3ccccc3C)c2n1 40484926 QGUUMZAMQPWRII-UHFFFAOYSA-N 303.365 3.314 0 40 DGAB Cn1cc(/C=C2\CCc3c2nc2ccccc2c3C(=O)O)cn1 32888136 GKKRORWYKFEFFF-XYOKQWHBSA-N 305.337 3.153 0 40 DGAB O=C(Nc1ccccc1N1CCCCCC1)c1ccc(=O)[nH]c1 32908516 AWANSFASQXWQML-UHFFFAOYSA-N 311.385 3.008 0 40 DGAB COc1cccc(NC2=NCC(=O)N2c2cc(C)ccc2C)c1 1360508 ZMCVWKIWLWNHPM-UHFFFAOYSA-N 309.369 3.127 0 40 DGAB CN(C)C(=O)n1nc(-c2cccs2)c2c1-c1ccccc1C2=O 2543550 FHQLKIMKSYUOPJ-UHFFFAOYSA-N 323.377 3.353 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1cccc(F)c1 2713223 MTXKETVMILLETM-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CCC(NC(=O)N1CCCCC1)(C(F)(F)F)C(F)(F)F 2765480 QYJDHARGHTZPPO-UHFFFAOYSA-N 306.250 3.455 0 40 DGAB biogenic CCCCNC(=O)/C=C/C(=O)Nc1cc(Cl)cc(Cl)c1 3374433 BLXUFZKFOCPZDQ-SNAWJCMRSA-N 315.200 3.404 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)OCc2ccccc2F)c1C 3483784 AOHPZXYMKDSMLT-UHFFFAOYSA-N 319.332 3.304 0 40 DGAB CN(C)c1ccc(C(=O)OCC(=O)c2cccc(Cl)c2)cc1 3525905 IUADWAJATOYMJR-UHFFFAOYSA-N 317.772 3.446 0 40 DGAB Cn1c([C@@H]2CC(=O)N(c3ccccc3F)C2)nc2ccccc21 4033421 KBBMLXQSQIFZFK-GFCCVEGCSA-N 309.344 3.233 0 40 DGAB Cc1ccc(-n2nnnc2C2(NCc3ccco3)CCCC2)cc1 5417122 XACVAAUWGXFSOZ-UHFFFAOYSA-N 323.400 3.123 0 40 DGAB CC[C@@H](CCNC(=O)c1ccccc1)NC(=O)c1ccccc1 6224293 POUKLLIOWOTTGJ-KRWDZBQOSA-N 310.397 3.015 0 40 DGAB COC(=O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 7538909 SVZFMPFNBBHWHO-HNNXBMFYSA-N 315.369 3.002 0 40 DGAB CCCOc1ccccc1C(=O)NC[C@@H](c1ccco1)N(C)C 9547726 CIJNUOFNNJRLOE-HNNXBMFYSA-N 316.401 3.101 0 40 DGAB C[C@@H](NC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 10358764 SLLRIWUUBLCZKX-CYBMUJFWSA-N 324.380 3.244 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Nc2ccc3c(c2)CCC3)cc1 12554890 VZXBUFOTGJVYOD-AWEZNQCLSA-N 324.424 3.301 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3ccc(Cl)s3)cc2NC1=O 12975258 GXFOIRFPTZBQBB-ZETCQYMHSA-N 322.773 3.373 0 40 DGAB Cc1ccc(-c2nnc(SCC(N)=O)c3ccccc23)cc1 16311060 RYWFVTREVKTGPC-UHFFFAOYSA-N 309.394 3.183 0 40 DGAB Cc1cnn(CC(=O)Nc2cccc(CCc3ccncc3)c2)c1 19239956 VITIQMYAWZCPHE-UHFFFAOYSA-N 320.396 3.010 0 40 DGAB CC(C)C12CN3CC(C(C)C)(CN(C1)C31CCCCC1)C2=O 19323181 JACKOKCYNNWQNU-UHFFFAOYSA-N 304.478 3.146 0 40 DGAB biogenic Fc1cccc(-c2nc3c(s2)CN(C2CCOCC2)CC3)c1 19719883 JHFMDSNDBRRBOW-UHFFFAOYSA-N 318.417 3.486 0 40 DGAB Cc1ccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c(C)c1 20218754 BAKDCTRFZZTLJI-HXUWFJFHSA-N 310.441 3.159 0 40 DGAB O=C(CCCc1nc(-c2cccs2)no1)Nc1nccs1 21524021 NBQMUGGRDOONBE-UHFFFAOYSA-N 320.399 3.216 0 40 DGAB O=C(Nc1ncccc1O)c1ccc(COc2ccccc2)o1 22262781 XGJWHQPIQPWONE-UHFFFAOYSA-N 310.309 3.212 0 40 DGAB COc1ccc(C)cc1NC(=O)Cc1csc2nc(C)cn12 25050509 OJXSPPSGKHMPIS-UHFFFAOYSA-N 315.398 3.202 0 40 DGAB CS(=O)(=O)Nc1ccc(-c2csc(-c3ccco3)n2)cc1 25204646 XIWGVFDWXOLIJO-UHFFFAOYSA-N 320.395 3.442 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)c1cc(Cl)c[nH]1 25379204 OFFFULDTNASOBA-UHFFFAOYSA-N 317.820 3.194 0 40 DGAB O=C(CSc1nc(-c2ccccc2)c[nH]1)NC1CCCC1 27659500 QALWQRDCKYRIEV-UHFFFAOYSA-N 301.415 3.228 0 40 DGAB O=C(NC1C[C@@H]2CC[C@H](C1)N2CCc1ccccc1)C1CCC1 27698458 JVGCEKQOWXTKBF-YQQQUEKLSA-N 312.457 3.141 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCC1 27978074 DCQBYWQEQOXXSQ-CQSZACIVSA-N 305.374 3.022 0 40 DGAB CCCCCNC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 39976718 GTNLXNILJROCQH-HNNXBMFYSA-N 310.825 3.214 0 40 DGAB CN(Cc1cccs1)C(=O)CN(C)[C@@H]1CCc2ccccc21 40049899 BDWGVDOSMAKCMU-QGZVFWFLSA-N 314.454 3.326 0 40 DGAB Cc1ccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)s1 40498606 HEUQQBMSZHBCFH-GXFFZTMASA-N 314.410 3.064 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)c(F)c1 40526205 XQGCZSDATGRGIU-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@H](O)c1ccccc1F 40526392 BUFZSGZVPYOFDQ-HNNXBMFYSA-N 302.349 3.298 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1cc(Cl)c(Cl)n1C 44918742 QHURNDLBJMWBET-UHFFFAOYSA-N 316.188 3.209 0 40 DGAB O=C(O)c1cnc(-c2cccc(Cl)c2)nc1N1CCCC1 49469027 BABFRAHCKRWQSQ-UHFFFAOYSA-N 303.749 3.095 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@@H]2c1cccc2cccnc12 49546501 WQPBCWLKBRXPKF-OAHLLOKOSA-N 310.382 3.393 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)o1 56665455 IPAYKMAMYQODLP-IUODEOHRSA-N 323.396 3.272 0 40 DGAB CC(=O)c1sc([C@H]2CN(Cc3ccccc3)CCO2)nc1C 65609560 YDDRUMSDCPGOAH-OAHLLOKOSA-N 316.426 3.228 0 40 DGAB Cc1cc(NC(=O)CN2CCC[C@H]2c2ccc(C)c(C)c2)no1 67984795 KPDXFTKGTIUTCX-INIZCTEOSA-N 313.401 3.375 0 40 DGAB COCCN(Cc1cccnc1)C(=O)NCCC1=CCCCC1 69722321 NGJZTOQPBBDQNY-UHFFFAOYSA-N 317.433 3.130 0 40 DGAB CCCc1c(C(=O)N2CCC(c3ccccc3)CC2)cnn1C 71853376 FMSCHRUJCHBSIV-UHFFFAOYSA-N 311.429 3.392 0 40 DGAB Cc1csc(-c2cccc(NC(=O)NC[C@H]3CCCO3)c2)n1 71855075 HOBOAJNKFWKXLH-CQSZACIVSA-N 317.414 3.419 0 40 DGAB COCCOCC(=O)N1CCCCC[C@@H]1c1cccc(C)c1 71910498 JQNFXMGLOGPWGQ-QGZVFWFLSA-N 305.418 3.102 0 40 DGAB Cc1cc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)no1 72243006 DKPOMBDMVSPDGN-UHFFFAOYSA-N 310.235 3.130 0 40 DGAB c1ccc([C@@H]2CN(Cc3ccncc3)C[C@H]2c2cc[nH]n2)cc1 72395177 YLIRRMZAUXGBQE-ZWKOTPCHSA-N 304.397 3.188 0 40 DGAB Cc1cc(C)n(-c2cccc(C(=O)Nc3ncccc3C)c2)n1 72406450 TWPHZJXWUIXSHG-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB O=C(NCC[C@H](O)c1cccs1)c1c(F)cccc1Cl 77113688 DYEKGZGPYPFPIH-NSHDSACASA-N 313.781 3.394 0 40 DGAB COC[C@](C)(NC(=O)c1ccncc1Cl)c1ccccc1 79736686 YOHQTHDPNJTDNX-INIZCTEOSA-N 304.777 3.027 0 40 DGAB COCCCCC(=O)Nc1c(F)cccc1Br 83902458 PHCHWMLJSSKZRB-UHFFFAOYSA-N 304.159 3.343 0 40 DGAB Clc1ccc([C@H](Nc2ccc3nnnn3n2)C2CCC2)cc1 84392691 ODORYNXFCSPTGS-OAHLLOKOSA-N 314.780 3.126 0 40 DGAB Cc1ncccc1C(=O)NCCc1csc(-c2ccccc2)n1 89540534 PFAVJJOKCGUWTA-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB OC[C@H](Nc1ncnc2sccc12)c1ccc(Cl)cc1 92961269 WURLJXDJBBTBFT-LBPRGKRZSA-N 305.790 3.490 0 40 DGAB CCN1CCC(N(C)Cc2nc(C(F)(F)F)cs2)CC1 95433833 PDFIHWQTRICDIH-UHFFFAOYSA-N 307.385 3.078 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](C)c1c(F)cccc1Cl 95985947 ZYRHLXJFECYEDY-MRVPVSSYSA-N 324.787 3.108 0 40 DGAB O=S1(=O)CCC[C@@H]1CN[C@H](CC1CCC1)c1ccccc1 97034750 NRIZTVJGMVHWKG-IAGOWNOFSA-N 307.459 3.085 0 40 DGAB O=C(N[C@@H](c1cccc(F)c1F)C(F)(F)F)C1=COCCC1 97085869 BUQKSFPLZGJYNW-LBPRGKRZSA-N 321.245 3.379 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)n1 97142703 NCMFIKBPIKZPNI-CQSZACIVSA-N 313.405 3.109 0 40 DGAB COc1ccc(-c2ccnc3[nH]n(-c4ccccc4)c(=O)c23)cc1 100130346 VUCCFHNDGHNHRO-UHFFFAOYSA-N 317.348 3.389 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCCCC1)C2 104488845 QHYMIDXILVIDSE-BMFAXAFESA-N 309.494 3.455 0 40 DGAB Cc1cc(C)nc(SCC(=O)NCC[C@H]2C[C@H]3CC[C@H]2C3)n1 107336400 XEZOBMAKNOSYTA-KKUMJFAQSA-N 319.474 3.128 0 40 DGAB Cc1cc(OCC(=O)N[C@@H](C)C(C)C)ccc1Br 125517757 RWOQTJRNZYHPLI-NSHDSACASA-N 314.223 3.297 0 40 DGAB C[C@H](O)CN[C@@H](c1ccc(Br)cc1)c1ccco1 183924092 LAVSZOXLHXLWAD-HZMBPMFUSA-N 310.191 3.102 0 40 DGAB Fc1cc2ncn(CCOCC(F)(F)C(F)F)c2cc1F 189225210 SZUZLHIRUIJPSA-UHFFFAOYSA-N 312.213 3.232 0 40 DGAB CCOc1ccc(CCCNC(=O)Cc2cccs2)cc1 225224872 CNCAZKVCJXJMRJ-UHFFFAOYSA-N 303.427 3.438 0 40 DGAB COC(=O)[C@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCS2 225757755 NXQICXCXFQIZLR-JGVFFNPUSA-N 300.367 3.314 0 40 DGAB CCc1cc(C(=O)N2CCC[C@H](c3ncc(C)s3)C2)on1 257315845 VCZJDDVKEDYLKP-NSHDSACASA-N 305.403 3.022 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)s1 257320029 VVAXLFCXQBMVQY-HNNXBMFYSA-N 315.442 3.185 0 40 DGAB Cc1cc(-c2nc([C@@H]3CCO[C@H](C)C3)no2)c2c(C)noc2n1 547219758 IVHXPDAIMWFIED-MWLCHTKSSA-N 314.345 3.172 0 40 DGAB Clc1ccc2nc(CN3CC[C@H](c4cccnc4)C3)cn2c1 581546297 FUEVJEWWNQMBGN-AWEZNQCLSA-N 312.804 3.372 0 40 DGAB Fc1cc(CN2C[C@@H](C3CC3)[C@H]2C2CC2)ccc1-n1cncn1 582341232 XZPFMHJKCNCRNY-MAUKXSAKSA-N 312.392 3.027 0 40 DGAB Cc1cc2c(cc1NC(=O)[C@H]1CCN(C)c3ccccc31)OCO2 585139846 QFQFUAKZQMHRRL-AWEZNQCLSA-N 324.380 3.286 0 40 DGAB Cc1cc(OCC2CCN(C(=O)[C@H]3CC=CCC3)CC2)ccn1 1775995467 XGYWNPJHFXGEOV-KRWDZBQOSA-N 314.429 3.364 0 40 DGAB O=Cc1nc(Br)c(-c2ccc3ncccc3c2)[nH]1 1857794870 OSGULBJMXJVBGB-UHFFFAOYSA-N 302.131 3.200 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3ccc(F)cc23)C1 1889175237 MSPXRARZWVDRIY-CQSZACIVSA-N 324.359 3.130 0 40 DGAB COC(=O)N1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccccc1OC 489926 JMXOIDJMADPXNT-UWWQBHOKSA-N 319.401 3.130 0 40 DGAB biogenic CCOc1ccc(NC(=O)COc2ccccc2OC)cc1 580778 SARVJPIXVYQBNB-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2C)c(OC)c1OC 2634645 CTAQKZLGFSJWBL-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB CCn1cc([C@@H](C)NC(=O)c2cc(-c3ccccc3)on2)c(C)n1 2795543 QEMFRZBIDYXWOR-GFCCVEGCSA-N 324.384 3.357 0 40 DGAB Cn1cnnc1SCC(=O)c1ccc(Cl)cc1Cl 3239099 VKOACKUHUIDZQO-UHFFFAOYSA-N 302.186 3.097 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCCC[C@@H]1C 3538786 VJDWDOHLANWLBR-LBPRGKRZSA-N 310.825 3.470 0 40 DGAB CN1C(=O)S/C(=C\c2cccn2-c2ccc(F)cc2)C1=O 4090683 STBUZTRBIGLULP-LCYFTJDESA-N 302.330 3.283 0 40 DGAB C[C@H]1C[C@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC(C)(C)C1 4614627 BRLOPWYLXBHZKT-HGPDSQILSA-N 307.434 3.064 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5440434 PFFFVDUGXOOZQT-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB CCCCCOc1ccc(C(=O)Nc2nonc2CC)cc1 6743399 ONTHEEIQNZXPRS-UHFFFAOYSA-N 303.362 3.453 0 40 DGAB COc1cc(N[C@@H](C)C(=O)N(C)C2CCCCC2)cc(OC)c1 8194392 ZIYFMLNZWKITEN-ZDUSSCGKSA-N 320.433 3.295 0 40 DGAB C[C@H]1CN(C=O)c2ccccc2N(C/C=C/c2ccccc2)C1=O 8809985 XIXKZHBRWGFYJT-JCVNQNCUSA-N 320.392 3.346 0 40 DGAB COC(=O)c1cccc(NC(=O)CCCc2cccs2)c1 9112019 ZPWOZVLSUHYCAK-UHFFFAOYSA-N 303.383 3.496 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cc(Cl)c2c(c1)OCO2 9112553 LIONZHTVSAKZEQ-AWEZNQCLSA-N 315.756 3.486 0 40 DGAB CCN(C(=O)[C@H](C)Sc1nc(C(C)C)n[nH]1)c1ccccc1 9503050 WHUVKNBAOJUARO-LBPRGKRZSA-N 318.446 3.462 0 40 DGAB Cc1nc(SCCOc2ccc(Cl)cc2)[nH]c(=O)c1C 9553970 BJMOHRLVTOUPPW-UHFFFAOYSA-N 310.806 3.211 0 40 DGAB C[C@@H](NC(=O)CCC(=O)N1CCCCCC1)c1ccccc1 9731168 GOSWJVIBLKIEMZ-OAHLLOKOSA-N 302.418 3.047 0 40 DGAB Cc1nnc(-c2cn(CC(=O)NC3CCCC3)c3ccccc23)o1 11695936 BJZXFAVGFTYHGH-UHFFFAOYSA-N 324.384 3.059 0 40 DGAB CSc1ccc2nc(NC(=O)c3ccnn3C)sc2c1 12444243 CHFJJWJKEHKPHQ-UHFFFAOYSA-N 304.400 3.004 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H](c2cccc(F)c2)N(C)C)cc1 12890320 KORSPLZLYVGXAV-SFHVURJKSA-N 314.404 3.096 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)cc1C 13011221 ZCAIOTBRJGRGNR-INIZCTEOSA-N 302.443 3.398 0 40 DGAB Oc1ccccc1C1=Nc2ncnn2[C@@H](c2ccc(F)cc2)C1 13127199 BQASIGQKCIQFFB-OAHLLOKOSA-N 308.316 3.237 0 40 DGAB CC(C)[C@@H](C(=O)N1CCC(C(=O)O)CC1)c1ccc(Cl)cc1 13167197 GOPGGSWHDWEVMP-OAHLLOKOSA-N 323.820 3.403 0 40 DGAB CCc1cccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 13349113 NKVQNBPIXDIBSD-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB CN1CCN(C(=O)/C=C/c2cccs2)[C@@H](c2ccccc2)C1 14138829 DXWNTWKQSQGNFN-OAGJVSPASA-N 312.438 3.277 0 40 DGAB Cc1ccc([C@H](C)NC(=O)CN(C)Cc2ccco2)cc1C 15306687 UQGYEIBHBCQKMZ-HNNXBMFYSA-N 300.402 3.206 0 40 DGAB C[C@H]1C[C@@H](C)CN2c3ccccc3CC3(C(=O)CCCC3=O)[C@H]12 16957114 WIGLJHDXYHQDGW-TYILLQQXSA-N 311.425 3.402 0 40 DGAB Nc1cc(Br)ccc1NC(=O)c1ccc(F)cc1 20520948 UVVLEFABZZMMMB-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB CC(=O)Nc1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 21695672 BJQFGDRCCHKSDV-UHFFFAOYSA-N 312.344 3.454 0 40 DGAB CN1CCC(NC(=O)c2ccc(-c3ccccc3Cl)o2)CC1 23082711 UMMSIPSMUULKGT-UHFFFAOYSA-N 318.804 3.424 0 40 DGAB O=c1c(C(F)(F)F)cccn1Cc1cccc2cccnc12 27064903 XPTYNWLMRAEKRK-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB Cc1cc(NC(=O)c2ccsc2)ccc1N1CCN(C)CC1 32495602 HPKQILVCJCALET-UHFFFAOYSA-N 315.442 3.061 0 40 DGAB CC(C)CNC(=O)Cc1csc(COc2ccccc2)n1 33326125 GIZOAMWNUMCWJP-UHFFFAOYSA-N 304.415 3.037 0 40 DGAB O=C1S/C(=C\c2ccccc2)C(=O)N1CNc1ccccn1 33374585 HKHHYUJIBHYMRN-RAXLEYEMSA-N 311.366 3.188 0 40 DGAB CCOCCCNCC(=O)N1c2ccccc2[C@H](C)CC1(C)C 35311381 PFIUHNMLLRHOAR-OAHLLOKOSA-N 318.461 3.322 0 40 DGAB O=c1c2ccccc2ncn1[C@H]1CCc2ccccc2N=C1O 36366607 WVQAYBGHXJPIAY-INIZCTEOSA-N 305.337 3.172 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)cc1C 36635456 GIDITOPCHVYZBJ-INIZCTEOSA-N 312.344 3.187 0 40 DGAB COC(=O)c1snc(-c2cccc(C(F)(F)F)c2)c1N 39387166 NUBIGKPQVCRUKD-UHFFFAOYSA-N 302.277 3.198 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1ccc(OC2CCCC2)cc1 40073576 MUBONCCURPTRQU-INIZCTEOSA-N 316.445 3.222 0 40 DGAB CC(C)(C)SCC(=O)NC[C@H]1CCN(c2ccccc2)C1 40089013 FDXUZDMAADPZFT-CQSZACIVSA-N 306.475 3.161 0 40 DGAB Cc1csc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)n1 41510421 GZCVJDRSZQJSAJ-UHFFFAOYSA-N 320.845 3.495 0 40 DGAB CC[C@]12CN3CC[C@H]1C[C@@H]3[C@H](c1ccnc3ccc(O)cc13)O2 44075612 ULTQUFCPWDEOND-BTINSWFASA-N 310.397 3.255 0 40 DGAB COCCn1cc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@@H]2C(C)C)cn1 45637396 LILJJTCTUZRVEA-NUEKZKHPSA-N 322.453 3.112 0 40 DGAB C[C@H](NC(=O)c1ccc(N2CCCCC2=O)cc1)c1ccncc1 48288370 BLWPPBCWTMLBHU-AWEZNQCLSA-N 323.396 3.090 0 40 DGAB CSCC(=O)NCc1ccc(CN2C[C@@H](C)C[C@@H](C)C2)cc1 48310688 HVBBBHVIJWNYEM-GASCZTMLSA-N 320.502 3.144 0 40 DGAB CN(CC(=O)N(C)Cc1cccs1)Cc1cccc(Cl)c1 49092869 QQICVNMDXCZLOC-UHFFFAOYSA-N 322.861 3.492 0 40 DGAB CC(C)Oc1ccc(NC(=O)NCc2ccccn2)c(F)c1 52267974 ZQCHSMXFBIRBGY-UHFFFAOYSA-N 303.337 3.330 0 40 DGAB CCCCN(CC)C(=O)c1ccccc1NC(=O)NC(C)C 52933567 TUSPKEWZWDXSLQ-UHFFFAOYSA-N 305.422 3.479 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2C2CCCC2)cnn1-c1ccccn1 56034826 IAEVXVUOXCDWDN-QGZVFWFLSA-N 324.428 3.371 0 40 DGAB CCOc1ccc2[nH]c(=O)c(CNCc3cccs3)cc2c1 57584846 UNGWGRKUZRLOQB-UHFFFAOYSA-N 314.410 3.278 0 40 DGAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@H]1CCN(C2CC2)C1 58161079 KRCQTGZVZPLBRQ-RYUDHWBXSA-N 324.877 3.174 0 40 DGAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)c1cccnc1S)CCO2 58244275 DHKCNSKGGGKOLS-AWEZNQCLSA-N 314.410 3.241 0 40 DGAB Cc1ccc(-c2c(C)sc3ncnc(NCC(=O)O)c23)cc1 58279485 ZTAMUMDGNHLSJD-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)no1 67888468 SBAIATVZOWDYQZ-LBPRGKRZSA-N 319.792 3.305 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccccc2)c1 69453445 MTYWYQPPLLJYOD-CABCVRRESA-N 309.417 3.321 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@H](n4ccnc4)C3)c12 69659981 BQYNHQDWPBGXGX-INIZCTEOSA-N 322.412 3.079 0 40 DGAB COc1cc(Cl)ccc1C(=O)NCc1cc(C(C)C)no1 70039548 RDCONMYPURVGGF-UHFFFAOYSA-N 308.765 3.390 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@H]21 71846883 VNIODUUACNRHJS-SUMWQHHRSA-N 310.397 3.323 0 40 DGAB Cc1ccccc1C[S@@](=O)[C@@H](C)C(=O)NC1CCCCC1 71858858 XJUJADPZYXDYRN-QKKBWIMNSA-N 307.459 3.081 0 40 DGAB COc1cc(Cl)ccc1CNC(=O)N(C)Cc1ccncc1 72271631 KVXKNFKABJZJFO-UHFFFAOYSA-N 319.792 3.085 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)CC3CCOCC3)C2)sc1C 72297411 NKIVRQVQYWFAPI-HNNXBMFYSA-N 322.474 3.283 0 40 DGAB CC(=O)CSCC(=O)c1cc(C)n(CC(F)(F)F)c1C 72307051 NZFAQTOSTWPNLO-UHFFFAOYSA-N 307.337 3.172 0 40 DGAB CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3F)n2)C1 72361717 XULYQCIVPAIYBT-CYBMUJFWSA-N 315.348 3.134 0 40 DGAB CN(Cc1nc2ccccc2n1C)[C@@H](CCO)c1ccccc1 72772790 CIMAKNAEUHHCDR-KRWDZBQOSA-N 309.413 3.129 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2ccc3ccccc3c2)c(=O)[nH]1 75118565 KZNVPBGQTLILDM-UHFFFAOYSA-N 306.365 3.109 0 40 DGAB CC(C)N(C(=O)c1cc(Cl)nc(N(C)C)c1)c1cccnc1 75137818 MTHKZHIHABZUIX-UHFFFAOYSA-N 318.808 3.251 0 40 DGAB CC[C@@H](NC(=O)N[C@@H](C)c1ccncc1)c1nc(C)cs1 78518450 SVVMLMUGJKATAZ-WCQYABFASA-N 304.419 3.358 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2[nH]nnc2c1 79021375 RUSSTOYGTJZKBL-UHFFFAOYSA-N 305.341 3.011 0 40 DGAB CC(C)n1cc(CCC(=O)NCCCN(C)C)c2ccccc21 79501402 UYFSDBQTCMQZMN-UHFFFAOYSA-N 315.461 3.223 0 40 DGAB CCN(CC)C[C@@H]1CCN(C(=O)c2cccc3cccnc23)C1 81331037 HVUXAWCJUIAAHQ-HNNXBMFYSA-N 311.429 3.039 0 40 DGAB O=C(c1cccc(-n2cccn2)c1)N1CCOc2ccc(F)cc21 88266278 FABWWPZGOFJLDK-UHFFFAOYSA-N 323.327 3.051 0 40 DGAB C[C@H](NC(=O)[C@H]1CCn2cncc2C1)c1ccc2c(c1)CCCC2 89905078 DONYXZBBCDHTPY-KSSFIOAISA-N 323.440 3.202 0 40 DGAB Fc1ccc(CN2CCC[C@H](c3nncn3C3CC3)C2)cc1F 91629885 WBLDHBSEKFJYKG-ZDUSSCGKSA-N 318.371 3.271 0 40 DGAB CCc1ccc(OCCc2nnc(NC(=O)C(C)C)s2)cc1 95116392 YVGOJCMFDGVKLM-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB Cc1csc([C@@H](NC(=O)N2C[C@H]3CCC[C@H]3C2)C2CC2)n1 95410900 ABIXRNOWEHETHD-MJBXVCDLSA-N 305.447 3.344 0 40 DGAB CNC(=O)c1cccc(CCN[C@H]2CCCc3sccc32)c1 95423019 YXIYGIQQOSIHEL-INIZCTEOSA-N 314.454 3.317 0 40 DGAB Cc1ccc(C[C@H](NC(=O)NCCCF)c2cccnc2)cc1 95425816 LWHDTMQCMVJNGW-KRWDZBQOSA-N 315.392 3.333 0 40 DGAB CC(C)C(=O)N1CCCC12CCN(Cc1cccc(F)c1)CC2 96075190 XFOLGDHWUYKPHW-UHFFFAOYSA-N 318.436 3.439 0 40 DGAB CO[C@H](CNC(=O)/C=C/c1ccsc1)c1cccc(F)c1 96388296 HIDPYKYGKRSOSA-LLYBFZRZSA-N 305.374 3.404 0 40 DGAB O=C(Nc1ccc(CC(F)(F)F)cc1)N1CCSCC1 96435239 ZGSVIAGNPVVYBM-UHFFFAOYSA-N 304.337 3.372 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC(O[C@@H]3CCOC3)CC2)C1(C)C 96450215 QBJROGQJYMXXPO-BRWVUGGUSA-N 321.461 3.021 0 40 DGAB Cc1occc1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 96456481 PTJCSRVPVSQRNW-QGZVFWFLSA-N 313.397 3.452 0 40 DGAB COc1cccc(C2(NC(=O)c3cc(F)c(O)c(F)c3)CC2)c1 97377204 IYEPESHSSGNJPQ-UHFFFAOYSA-N 319.307 3.098 0 40 DGAB [O-][N+]1=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])[C@@H]2CCCC[C@@H]21 100385077 NTSVJVRLDPGQJC-HDICACEKSA-N 320.392 3.310 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1csc(C(C)C)n1 106789143 ZHSLUELSYYYNBR-HZPDHXFCSA-N 321.490 3.242 0 40 DGAB O=C(Cc1ccc(F)cc1)NC[C@@H]1CCCN1c1ccccc1 211115826 MEDFEKLSKWDBGI-SFHVURJKSA-N 312.388 3.153 0 40 DGAB CCOc1ccc(C(=O)N[C@H](C)COC)cc1COCC(C)C 224743152 ZKECIDSRPVGVTH-CQSZACIVSA-N 323.433 3.023 0 40 DGAB Cc1ccc(C(=O)NC(C)(C)C)c(I)c1 225007998 HFWYRWYTIQRFGJ-UHFFFAOYSA-N 317.170 3.128 0 40 DGAB Cc1nn(C)c(C)c1/C=C1/SCCN1C(=O)C1CCCCC1 225246486 QTTLLWQBOWBMNS-LFIBNONCSA-N 319.474 3.491 0 40 DGAB CC1(C)COc2ccc(C(=O)NCc3ccco3)cc2OC1 225358510 KMEYMMYNVBCLDZ-UHFFFAOYSA-N 301.342 3.007 0 40 DGAB CCNC(=O)c1ccc(N[C@@H](C)CCc2ccccc2)c(N)c1 225449037 CGQJRMJNYFLVLD-AWEZNQCLSA-N 311.429 3.452 0 40 DGAB Cc1cccc(S(=O)(=O)n2cc(C)nc2-c2ccccc2)c1 256055321 BSXAFCDBXRZAHO-UHFFFAOYSA-N 312.394 3.404 0 40 DGAB CC(=O)N1CCC[C@H](c2ccc(-c3cccc(C(=O)O)c3)cn2)C1 257304265 SKUUYPBRNQRAKG-KRWDZBQOSA-N 324.380 3.173 0 40 DGAB Cn1ccc(C2CCN(C(=O)Cc3ccccc3Cl)CC2)n1 575606207 FBHGIKLMKBRVKE-UHFFFAOYSA-N 317.820 3.022 0 40 DGAB Cc1ccc(F)c(CN2CC[C@@](C(=O)O)(c3ccccc3)C2)c1 578137739 UVQDJRHIYPDVPL-IBGZPJMESA-N 313.372 3.362 0 40 DGAB C[C@@H](NC[C@H](c1ccco1)N1CCCC1)c1ncc(Cl)n1C 585134723 HPBPOGIFLMZVMR-CHWSQXEVSA-N 322.840 3.154 0 40 DGAB Oc1cc(-c2noc([C@@H]3CCCN3Cc3ccccc3)n2)ccn1 585141110 PQLPRPQUKARLBS-HNNXBMFYSA-N 322.368 3.174 0 40 DGAB O=C1CN(c2nc3ccccc3s2)CCN1Cc1ccccc1 1888962974 VBENJHHLKXAVLE-UHFFFAOYSA-N 323.421 3.145 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2cc(C(F)(F)F)ccn2)C1 1889098060 FBSUFUPICNWTFK-CYBMUJFWSA-N 323.318 3.462 0 40 DGAB Fc1ccc(-c2nnn(Cc3ccc(F)cc3Cl)n2)cc1 128736 UPVCCRZTKWMFEL-UHFFFAOYSA-N 306.703 3.320 0 40 DGAB COc1ccc(C(=O)Oc2ccc(C(C)=O)cc2OC)cc1 129405 SNHFDLMHYRVZSS-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB C[C@H]1CCC[C@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 239737 LJHBSECKCFHWQS-YOEHRIQHSA-N 304.409 3.162 0 40 DGAB CCOc1ccc(-n2nc3c(Cl)nnc(C)c3c2C)cc1 383427 WOAICWFBBSSLCV-UHFFFAOYSA-N 302.765 3.484 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@H](O)Cn1nc(C)cc1C 808149 LUBDHBVMIJITBW-KRWDZBQOSA-N 311.429 3.441 0 40 DGAB Cc1c(Cl)ccc2c1NC(=O)[C@@]2(O)CC(=O)c1ccccc1 1588398 YVMFCOJRWCGURT-QGZVFWFLSA-N 315.756 3.061 0 40 DGAB O=C(COC(=O)CCC1CCCC1)NCc1ccc(Cl)cc1 3318606 PQOJVWDDEMMQMY-UHFFFAOYSA-N 323.820 3.470 0 40 DGAB Cc1ccc2nc(COc3cccc4cccnc34)cc(=O)n2c1 3437808 USJHGGNBQUXQES-UHFFFAOYSA-N 317.348 3.130 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCCC[C@H]1C 3538784 VJDWDOHLANWLBR-GFCCVEGCSA-N 310.825 3.470 0 40 DGAB CC(C)C[C@H](Nc1ncnc2sc3c(c12)CCC3)C(=O)O 4316844 SBAPFBZXXVHJOS-JTQLQIEISA-N 305.403 3.091 0 40 DGAB CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 4484406 AEFDOSXKBNPNIU-SJCJKPOMSA-N 313.353 3.252 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC(C)C)cc1 4737159 GAUXRYSZPTVYTC-UHFFFAOYSA-N 310.397 3.314 0 40 DGAB O=C(CSc1nnc(-c2cccnc2)o1)c1cccs1 4740825 LNGXNZYSOGBERW-UHFFFAOYSA-N 303.368 3.168 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2nc(C(C)(C)C)nc32)cc1 5307855 DFNAVPRVVQOGBH-UHFFFAOYSA-N 306.373 3.069 0 40 DGAB C[C@H]1CCCN(C(=O)COC(=O)/C=C/c2ccccc2Cl)C1 5559610 UDAZTYJSZLCNHO-XEHSLEBBSA-N 321.804 3.155 0 40 DGAB COc1ccccc1OCCC(=O)NCc1ccccc1Cl 5965797 PJFRGRIOIJBBBV-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 7053001 IYBWLGBQVGFBOL-UHFFFAOYSA-N 305.399 3.449 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccccc2Cl)cc1 7218340 WGRKSENSJFXTRN-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB COc1ccc(C)cc1N[C@@H](C(=O)NC1CC1)c1ccccc1 7370232 JTHMYELKMULMIY-GOSISDBHSA-N 310.397 3.435 0 40 DGAB COc1ccc(CNC(=O)c2ccc(N3CCCC3)cc2)cc1 7383304 MVBVWTAOCUPQSE-UHFFFAOYSA-N 310.397 3.225 0 40 DGAB O=S(=O)(Nc1ccccc1Cl)c1ccc(F)cc1F 7402014 NYUVMBAOMDCYLO-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB O=C(CN1CCSC1=O)Nc1ccc(-c2ccccc2)cc1 7948003 GXEMPQSPWNHJEO-UHFFFAOYSA-N 312.394 3.461 0 40 DGAB CCOC(=O)c1cccc(NC(=O)COc2ccc(F)cc2)c1 8097722 AWQCFFWJWNEXRX-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB COc1ccccc1NCc1cc(=O)oc2c(C)c(O)ccc12 8211124 FMWMLMUCOOJHSQ-UHFFFAOYSA-N 311.337 3.428 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)c(OC)c1 9322116 IMDSMVZIOBAXNE-CYBMUJFWSA-N 314.385 3.451 0 40 DGAB Cc1cccc(-c2nnc([C@@H](C)Sc3nnc(N)s3)o2)c1 9593742 ACGZVTIEMHUZQH-MRVPVSSYSA-N 319.415 3.332 0 40 DGAB NC(=O)c1ccccc1NC(=O)CCc1ccc(Cl)cc1 9647959 ZJPFZYQTSDSIED-UHFFFAOYSA-N 302.761 3.010 0 40 DGAB CNc1nn(-c2ccccc2)c2c1C(=O)C[C@H](c1ccco1)C2 10157188 RYBMHIBMDNXKKH-GFCCVEGCSA-N 307.353 3.420 0 40 DGAB Cc1ccc(NC(=O)c2ccno2)c(C(=O)c2ccccc2)c1 10253893 SVYXAURCVKNPOJ-UHFFFAOYSA-N 306.321 3.466 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1nc2cc3c(cc2s1)OCCO3 11751956 GXXWFTFPSJOOJX-SNVBAGLBSA-N 316.382 3.362 0 40 DGAB CC(C)C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12220083 NOGYUYJQCJJCDH-MRXNPFEDSA-N 324.428 3.324 0 40 DGAB O=C(NCc1cccc(Cl)c1)c1cc(=O)[nH]c2ccccc12 13930268 YITJMVRRXARILN-UHFFFAOYSA-N 312.756 3.112 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1ccccc1 14083276 MITHJFCHZCHDFZ-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB Cn1ncc2c(NCCCSc3ccc(F)cc3)ncnc21 14214952 HSUBQVTXXGZRFL-UHFFFAOYSA-N 317.393 3.097 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)c(C)c1 14219398 LWHIESOMQAJZPQ-OAHLLOKOSA-N 303.427 3.484 0 40 DGAB COc1cc(C[C@@H]2CC(c3ccccc3)=NO2)cc2c1OCO2 14988193 BCZYXNIUNNKABB-CQSZACIVSA-N 311.337 3.160 0 40 DGAB COc1cc(/C=C2\N=C(c3cccc(C)c3)OC2=O)ccc1O 17109485 PSUIRIITWUKQGD-ZROIWOOFSA-N 309.321 3.054 0 40 DGAB CCCC(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 19228701 WFPLSWOWJYPGHS-SNVBAGLBSA-N 301.645 3.085 0 40 DGAB O=C(CSCc1cccc(Cl)c1)NCc1ccncc1 20238090 OHLPWWCVHHYHHX-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB Cc1cc(Br)ccc1NC(=S)NC(=O)C(C)C 21596336 FFBMAERSEVXOGQ-UHFFFAOYSA-N 315.236 3.227 0 40 DGAB Cc1ccccc1Nc1nc(N2CCCC2)nc2c1cnn2C 21873558 WXFJBGGNBHPGTN-UHFFFAOYSA-N 308.389 3.016 0 40 DGAB NC(=S)Nc1nccc(-c2ccc(-c3ccccc3)cc2)n1 22126296 USNKMBDWTLCOMF-UHFFFAOYSA-N 306.394 3.466 0 40 DGAB O=C(CCc1nc(-c2ccsc2)no1)NC(C1CC1)C1CC1 22385490 HJGYPFQHQXZQQJ-UHFFFAOYSA-N 317.414 3.036 0 40 DGAB CCc1[nH]c(C(=O)Nc2cc(F)ccc2C)c(C)c1C(=O)OC 23131895 LIWUVBUVJCZWAQ-UHFFFAOYSA-N 318.348 3.372 0 40 DGAB CC[C@H]1c2ccsc2CCN1Cc1ccc(C(N)=O)cc1 23701320 XYQYHMMLYHMMLX-HNNXBMFYSA-N 300.427 3.356 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)c1cc2ccccc2[nH]1 29182382 MCBFKAHEKMEGLX-UHFFFAOYSA-N 304.300 3.032 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1C[C@H](CO)C2=O 30728853 KQHKUOHLCRQQSG-CZUADDKVSA-N 320.473 3.178 0 40 DGAB in-vitro CC(=O)Nc1ccc(NC(=O)NCc2ccc(F)cc2)cc1 30995401 WDKAYHYPXWBAFL-UHFFFAOYSA-N 301.321 3.106 0 40 DGAB CCc1nc(Cn2cnc3cc(Cl)ccc3c2=O)cs1 31787108 YBOYVJQTNZWPSU-UHFFFAOYSA-N 305.790 3.117 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CCCCc1ccccc1)C(=O)O 34644897 FOYWIHNYTBRBBB-CQSZACIVSA-N 307.390 3.377 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2ccccc2Br)on1 36623516 DFKGCWPEAYTEQG-SECBINFHSA-N 309.163 3.237 0 40 DGAB CSc1nc2ccc(NC(=O)c3snnc3C)cc2s1 36649534 VSGQCMAWEZJZRE-UHFFFAOYSA-N 322.440 3.430 0 40 DGAB O=C(O)c1cccc(CSc2ccc3c(c2)OCCO3)c1 37414935 BBDHCCMBNQYSAI-UHFFFAOYSA-N 302.351 3.448 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCCCc2ccccc2)c1 38756471 SKDIFPFFZBCLSJ-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB CCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2Cl)C1 38832141 SECOQWABEOVOIH-LBPRGKRZSA-N 315.244 3.342 0 40 DGAB CNc1snc(C)c1C(=O)N(C)Cc1ccc(F)c(F)c1 40496369 CBOVTRYNPVJPDA-UHFFFAOYSA-N 311.357 3.044 0 40 DGAB CC(=O)c1cccc(NC(=O)CN(C)c2ccc(Cl)cn2)c1 41612174 WNMQTDBOYXASFT-UHFFFAOYSA-N 317.776 3.013 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1ccc2cn[nH]c2c1 42383419 BAGBLXRJDHGZEE-UHFFFAOYSA-N 301.346 3.433 0 40 DGAB CC(C)CO[C@H](C)C(=O)NCc1ccccc1OC(F)(F)F 42473682 WLTVTSBPPCTQMN-LLVKDONJSA-N 319.323 3.263 0 40 DGAB Cc1nc(NCc2ccco2)sc1C(=O)NCCC(C)C 44922263 QEKWOGLUQQBYKH-UHFFFAOYSA-N 307.419 3.433 0 40 DGAB CCc1ccccc1NC(=O)c1c(Br)c(C)nn1C 48288207 AZHJZUQIYGUBTJ-UHFFFAOYSA-N 322.206 3.306 0 40 DGAB Cc1c(C(=O)Oc2cccc3[nH]ncc23)oc2c1C(=O)CCC2 48290729 LSEPAXONZRXYTG-UHFFFAOYSA-N 310.309 3.203 0 40 DGAB CCCc1noc([C@@H](C)N2CCN(CCC(C)(C)C)CC2)n1 48313901 GPWZLGWHLBLCEQ-CQSZACIVSA-N 308.470 3.137 0 40 DGAB COc1ccc(OC)c([C@@H](O)Cn2c(C)nc3ccccc32)c1 48333092 ZNRPRVOJCIGPQC-KRWDZBQOSA-N 312.369 3.096 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1ccc(Cl)s1 48795620 QJAOEFAOCKIZHQ-JTQLQIEISA-N 311.794 3.029 0 40 DGAB O=C(NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccs1 58200772 JEAXXBYCIANJRY-LLVKDONJSA-N 322.380 3.283 0 40 DGAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2nc(C)no2)c1 58329719 KNUSSOIRNCFRNC-INIZCTEOSA-N 307.353 3.206 0 40 DGAB CC(C)CNC(=O)c1ccccc1NC(=O)Cc1ccccc1 59453292 VILLBSBMBWHEDT-UHFFFAOYSA-N 310.397 3.254 0 40 DGAB Cc1ccc(C)c(C(=O)CCC(=O)NC2CCSCC2)c1 65479213 LHFLXHALDJHWGC-UHFFFAOYSA-N 305.443 3.278 0 40 DGAB CCn1nc(C)c(CNC(=O)N[C@H](C)c2ccc(F)cc2)c1C 67015822 PHEYBIVEHAOZHZ-LLVKDONJSA-N 318.396 3.219 0 40 DGAB O=C(Cn1nc(-c2cccc(Cl)c2)ccc1=O)c1ccccc1 67206781 REPPEALCTABBQA-UHFFFAOYSA-N 324.767 3.447 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)cc2c1 69619097 QXGYKCFPGHBXPX-MSOLQXFVSA-N 311.429 3.175 0 40 DGAB O[C@@H](CN1CCC(c2nc3ccccc3[nH]2)CC1)c1ccccc1 71897142 JBOGAPKDYAYRQR-IBGZPJMESA-N 321.424 3.476 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccccc2C(N)=O)c1 72309388 IMSGGSDXLQKGES-XHDPSFHLSA-N 310.353 3.172 0 40 DGAB CCOc1ccc(C(=O)N2CCN(c3ccc(C)cc3)CC2)cc1 72331294 FZHQRIPMWUFNQV-UHFFFAOYSA-N 324.424 3.356 0 40 DGAB CN(C(=O)c1cc(C2CC2)nc2ccc(F)cc12)c1cnn(C)c1 73114200 DIVKMNLYEQLBBQ-UHFFFAOYSA-N 324.359 3.261 0 40 DGAB C[C@@H](C(=O)N(Cc1ccccc1)c1ccccn1)n1cccn1 74126172 HGFIVPUABNQZEV-HNNXBMFYSA-N 306.369 3.073 0 40 DGAB O=C(NC[C@H]1CCCC[C@@H]1O)Nc1ccccc1C(F)(F)F 75145007 KLNWJJCWANYXME-MFKMUULPSA-N 316.323 3.378 0 40 DGAB CCS[C@H]1CCCCN(Cc2csc(NC(C)=O)n2)C1 78988542 NTLXTMBEZFYBHN-ZDUSSCGKSA-N 313.492 3.209 0 40 DGAB C[C@H](Nc1cccc(NC(=O)CO)c1)c1ncc(C(C)(C)C)o1 78990154 MZJOAZGUVYLLSA-NSHDSACASA-N 317.389 3.076 0 40 DGAB CC(C)=CCN1CCC(C(=O)NCc2ccc(F)cc2)CC1 80027187 RBOZLWSSHYWDKP-UHFFFAOYSA-N 304.409 3.120 0 40 DGAB CS[C@H]1CCCCN(CCC(=O)Nc2ccccc2F)C1 83990526 MZVUXAZMQXKLIO-ZDUSSCGKSA-N 310.438 3.372 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@@H](c2ccccn2)C1 85472932 OLRDYLPDPSVPQP-OAHLLOKOSA-N 319.364 3.366 0 40 DGAB CC1(C)CCN1C(=O)c1nn(-c2ccccc2F)c2c1CCC2 89919476 ORCVWZDDVMGLBQ-UHFFFAOYSA-N 313.376 3.125 0 40 DGAB Cc1cncc(C(=O)Nc2cccc(Cn3ccnc3C)c2)c1 95404210 AKJMNHJGQHGTLX-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB O=C(CSc1ccccc1O)NCc1cc(F)cc(F)c1 95406439 WGZUARADILPCBL-UHFFFAOYSA-N 309.337 3.079 0 40 DGAB O=C(CC1CCSCC1)Nc1ccnn1Cc1ccsc1 95416880 SJNNBYPRCJBFLK-UHFFFAOYSA-N 321.471 3.465 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1ccc2ncccc2c1 95417761 SDVPBRHSTVHMDW-AUUYWEPGSA-N 320.392 3.477 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)N(CC(C)(C)O)C(C)C 95434889 PQUIJDBPVAGYRF-AWEZNQCLSA-N 322.449 3.256 0 40 DGAB Cn1nnc2cc(C(=O)N(C3CCCC3)C3CCCC3)ccc21 95947907 DFUGYDKSEWXAKX-UHFFFAOYSA-N 312.417 3.296 0 40 DGAB CCC1(c2nc(-c3ccc(S(C)(=O)=O)cc3)no2)CCCC1 95964955 XONGOEUDNAEBLV-UHFFFAOYSA-N 320.414 3.362 0 40 DGAB CC(C)(C)C(=O)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 96221887 GKGZPIPKXHLRPX-MRXNPFEDSA-N 317.429 3.262 0 40 DGAB Fc1cccc(OC(F)(F)F)c1I 96308751 ZJUKYJWQBPKNAY-UHFFFAOYSA-N 305.996 3.329 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)N(C)CCc2ccccn2)c1 96408396 CGVDQLDMWLGEDU-UHFFFAOYSA-N 323.440 3.305 0 40 DGAB Cc1cc(C)n(C[C@@H](C)NC(=O)[C@H](C)Cc2ccccc2F)n1 96414301 ULIWCDXARKLOOA-TZMCWYRMSA-N 317.408 3.023 0 40 DGAB CN(C)C(=O)c1cc(NCCOCC(F)(F)F)ccc1Cl 96427511 LZYQMKPFZHVFJD-UHFFFAOYSA-N 324.730 3.033 0 40 DGAB Cc1nc[nH]c1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 96429874 FFDPCOUTVBMYIS-MRXNPFEDSA-N 308.341 3.078 0 40 DGAB O=C(COCC(F)(F)F)Nc1ccc2nc(C3CC3)oc2c1 96456541 LOSKPMKGQFRPJC-UHFFFAOYSA-N 314.263 3.223 0 40 DGAB Cc1c(CNc2cc(F)ccc2N2CCCCC2)cnn1C 97048881 AWSZUEJHURUBPA-UHFFFAOYSA-N 302.397 3.470 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccn(CC(F)F)n2)[C@H]2CCCC[C@H]12 97083037 CDFPJHIZTVPAHO-UTUOFQBUSA-N 312.364 3.191 0 40 DGAB Cn1cc(C2CCN(Cc3cc(-c4ccccc4)no3)CC2)cn1 97203213 OKYBYGLLZXRBNT-UHFFFAOYSA-N 322.412 3.455 0 40 DGAB CC[C@H](NC(=O)N1CCC(C)(CO)CC1)c1ccc(C)cc1 97377571 OPIZUVHKFUIGTJ-INIZCTEOSA-N 304.434 3.250 0 40 DGAB Cc1nnc([C@@H](NC[C@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)n1C 101542871 FYNPVLIMTMLPGO-OWLYRPNTSA-N 308.429 3.015 0 40 DGAB Cc1nc(Cl)cc(N[C@H]2CCN(C)[C@H]2c2ccccc2)n1 107539161 CDCLRFAWJNZEKQ-BBRMVZONSA-N 302.809 3.296 0 40 DGAB CCc1oc(C(=O)N2CCOc3ccc(OC)cc32)cc1C 120336568 ZCPOLKCJEDZITL-UHFFFAOYSA-N 301.342 3.198 0 40 DGAB Cc1ccc(F)c(N2CCC(NC(=O)c3ccoc3)CC2)c1 195556776 STEINVPOVNRQIZ-UHFFFAOYSA-N 302.349 3.126 0 40 DGAB Cc1ccccc1COc1ccc(C(N)=O)cc1Br 216818963 NHIJKAPFSYHFIE-UHFFFAOYSA-N 320.186 3.435 0 40 DGAB CCSc1nc(N2CCCCC2)c2cc(C(=O)O)sc2n1 217684586 KJYWCSJISPGWEV-UHFFFAOYSA-N 323.443 3.492 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1 222573145 KNCLPWPQRLERET-UHFFFAOYSA-N 312.373 3.119 0 40 DGAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccccc2)c1C 223949335 WPROYEUWHHVUBU-INIZCTEOSA-N 313.397 3.266 0 40 DGAB COc1ccc(NC(=S)NCCCc2ccccc2)cn1 223963011 CTRQFVYEZOZUQV-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB COc1ccc(CC(=O)NCCCOC2CCCC2)cc1C 225730087 JRFXBYYWLAVVBO-UHFFFAOYSA-N 305.418 3.012 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1ccccc1F 225744381 JNTNNNUPKWFZNE-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB CCc1nc2cc(C(=O)N(C)c3cccc(OC)c3)ccc2n1C 225895348 KEBPDBROEBHAGB-UHFFFAOYSA-N 323.396 3.421 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 257321655 WCPLVFLAZVZPSW-KRWDZBQOSA-N 309.413 3.227 0 40 DGAB O=C(O)c1cccc(C(=O)N2CCC(c3ccsc3)CC2)c1 263571517 JMGMYMWQNPJOOB-UHFFFAOYSA-N 315.394 3.466 0 40 DGAB O=C(NC1CCN(c2ccnc3ccccc23)CC1)C1CCC1 360721284 PUNVEBVDIGTZKC-UHFFFAOYSA-N 309.413 3.120 0 40 DGAB CO[C@@H]1C[C@H](c2ccccc2)CC[C@@H]1NC(=O)c1ccsn1 566660408 NMFLYEFXYVSNKB-IJEWVQPXSA-N 316.426 3.224 0 40 DGAB Cc1cccc(N2CCN(c3cc(C4CC4)ncn3)CC2)c1C 1611733912 QLVNODQUCPODDZ-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB C[C@@H](NC(=O)c1cc(N)ccc1N)c1cccc2ccccc12 1857794578 BYZGQXMZFNLNCA-GFCCVEGCSA-N 305.381 3.495 0 40 DGAB CO[C@](C)(CN=c1[nH]c2cnccc2s1)c1ccccc1F 1889201614 NKHSKWUSTZQTSL-MRXNPFEDSA-N 317.389 3.226 0 40 DGAB O=c1[nH]c(SCCCc2ccccc2)nc2c1CCCC2 11905554 MLADDUDOSRRBCT-UHFFFAOYSA-N 300.427 3.374 0 40 DGAB CCOc1cc(C(=O)Nc2ccncc2)ccc1OC(F)F 2794677 UYAHTFAILVQPDV-UHFFFAOYSA-N 308.284 3.334 0 40 DGAB O=C(Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1)C1CC=CC1 77022034 VCXLAGDYFQITLO-IAGOWNOFSA-N 301.386 3.274 0 40 DGAB CC[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCS1 78950572 POGFFSRKUDWQQR-ZDUSSCGKSA-N 307.394 3.203 0 40 DGAB CCCc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)cc1 6588895 SUNRWUCUYDOABF-CQSZACIVSA-N 318.442 3.206 0 40 DGAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccc(C)cc2)n1 8476298 FUHPBRLYAGWPEF-UHFFFAOYSA-N 320.396 3.383 0 40 DGAB Cc1cc(C)n2ncc(C(=O)Nc3cccc(Cl)c3)c2n1 820972 GEBYPDWKUMEAHK-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB CC(=O)c1ccc(O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 108322040 PDPLCFMKGBFZBX-JDFRZJQESA-N 303.402 3.351 0 40 DGAB Cc1c(-c2ccccc2)sc2nc(-c3cnn(C)c3)[nH]c(=O)c12 54753283 ZBBNYHQWMBWKLA-UHFFFAOYSA-N 322.393 3.361 0 40 DGAB Cc1cccc(OCCC(=O)Nc2c(C)nn(C)c2C)c1C 24768597 WHHTUKVCKVGXRQ-UHFFFAOYSA-N 301.390 3.061 0 40 DGAB c1ccc(-c2cn3nc(NC[C@@H]4CCCO4)sc3n2)cc1 12525327 PUFPMJSPLMYWRU-LBPRGKRZSA-N 300.387 3.049 0 40 DGAB Cc1noc(C)c1CC(=O)N(C)c1nc2ccccc2s1 26964064 XJCMVSVCBPFCMV-UHFFFAOYSA-N 301.371 3.107 0 40 DGAB C[C@@H](C(=O)NC1CCCCCC1)N1CCc2sccc2C1 10106950 BWYCCDAXBCUHEF-ZDUSSCGKSA-N 306.475 3.334 0 40 DGAB Cc1ccccc1C[S@](=O)CCC(=O)Nc1ccc(F)cc1 58155618 ZNUBHMVGYXMUCK-QFIPXVFZSA-N 319.401 3.412 0 40 DGAB CCOc1ccc(CCC(=O)Nc2ncccc2OC)cc1 58197697 UYGANESXQFVZOR-UHFFFAOYSA-N 300.358 3.060 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NCCCNc1ccccn1 44970666 KDKDNYXTDCMWHH-ZDUSSCGKSA-N 318.446 3.348 0 40 DGAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1ccc(F)cc1 20219927 VPGHDUIFQZZSRP-UHFFFAOYSA-N 311.316 3.148 0 40 DGAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)N(C)CCC(F)(F)F 58378035 YWHAFVJLIGJKRD-MRVPVSSYSA-N 311.250 3.143 0 40 DGAB CSc1cccc(NC(=O)NCCC2CCN(C)CC2)c1 58309107 MEKISESUCNWYBD-UHFFFAOYSA-N 307.463 3.262 0 40 DGAB CC(=O)c1cccc(OCC(=O)NCc2cccc(Cl)c2)c1 3519528 SMANBYCSAZPUMU-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB Oc1ccccc1C1=Nc2ncnn2[C@H](c2ccc(F)cc2)C1 13127198 BQASIGQKCIQFFB-HNNXBMFYSA-N 308.316 3.237 0 40 DGAB CC(C)=CC(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 70872718 IDMIUFUJYCQGCJ-CQSZACIVSA-N 323.396 3.477 0 40 DGAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccc(O)cc1 8881672 XLUXWQPCVXORJQ-UHFFFAOYSA-N 324.424 3.308 0 40 DGAB O=C(O)c1cc2ccccc2cc1N1C(=O)c2ccccc2C1=O 4168961 VCNQWQACYLHGCB-UHFFFAOYSA-N 317.300 3.339 0 40 DGAB Cc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1 4241627 FNYOAUTWNGUZLV-UONOGXRCSA-N 305.374 3.030 0 40 DGAB CN(C(=O)c1nccn2ccnc12)[C@@H](c1ccc(F)cc1)C1CC1 96444778 UDOHUENEURSGFO-MRXNPFEDSA-N 324.359 3.092 0 40 DGAB Cc1cc(N)nc(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 65568365 RPAUNFXTFOXBPO-QMMMGPOBSA-N 319.415 3.332 0 40 DGAB Cc1cccc(Nc2nc(C(=O)NC[C@H]3CCCO3)cs2)c1 4687906 ZFTXFLZJWNOSNY-CYBMUJFWSA-N 317.414 3.104 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)c2cccs2)c(Cl)c1 6602918 ONJTUZWJSQRFIQ-UHFFFAOYSA-N 308.790 3.078 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N(C)[C@H](C)c2sc(C)nc2C)n1 71883119 SYLNSYOVVIBMTN-CHWSQXEVSA-N 320.462 3.354 0 40 DGAB CC(C)c1ccc(NC(=O)[C@H](C)Sc2nnc(N)s2)cc1 7535780 ARLZVFKUKLVEHP-VIFPVBQESA-N 322.459 3.363 0 40 DGAB C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1ccsc1 90526341 LZMBKABBWSXSDN-JQFCIGGWSA-N 308.491 3.167 0 40 DGAB Cc1ccc(-n2cnnc2S[C@@H]2C[C@H](C)OC2=O)cc1Cl 9365669 WTBIVZMEUICLPP-JOYOIKCWSA-N 323.805 3.025 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H](C)N1CCc2ccccc2C1 8118332 NPTCIRVZASCPMW-OAHLLOKOSA-N 324.424 3.471 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)no1 69219327 MGVINJFDFJFQDY-NSHDSACASA-N 318.352 3.183 0 40 DGAB Cc1nnc2sc(-c3ccc(-c4ccccc4)cc3)nn2c1=O 8394028 MTCHAJQHRIVFHR-UHFFFAOYSA-N 320.377 3.188 0 40 DGAB CCN(CC)C(=O)c1c(C)nc(-c2ccco2)nc1SC 69415175 FPHSMNWCZSEUIT-UHFFFAOYSA-N 305.403 3.249 0 40 DGAB CCn1cc([C@H]2OCC[C@@H]2CNC/C=C/c2ccccc2)cn1 83843454 MWFJJWZDIPFAMI-CUXJHESGSA-N 311.429 3.284 0 40 DGAB CS[C@H](C)CNC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 97080641 KLUXNCMSPKPFNV-BXUZGUMPSA-N 324.494 3.405 0 40 DGAB CCc1nn(C)cc1N[C@H](C)C(=O)Nc1cc(C)ccc1C 95942180 NHVDBHVTRCNLAB-CYBMUJFWSA-N 300.406 3.038 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)Cc1ccc2c(c1)OCC2 85875432 CEBWOIWSJSEHRL-OAHLLOKOSA-N 309.409 3.302 0 40 DGAB biogenic CCCC(=O)NC1CCN(CCOc2ccc(Cl)cc2)CC1 75111056 IAVAAWXZMAOHAD-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB Cc1ccc(C)c([C@H]2CCCN2c2ccc3nnc(C)n3n2)c1 89616476 PFRNBRFSJGJKRY-MRXNPFEDSA-N 307.401 3.391 0 40 DGAB Cc1nnc(-c2cccc(C(=O)O[C@H](C)c3ccccn3)c2)o1 89736406 FXHQYRCGDLHMSG-LLVKDONJSA-N 309.325 3.358 0 40 DGAB CC(=O)NCc1ccc(C(=O)N(C)[C@H](C)c2cccs2)cc1 24236486 RTPONLXIZNWRSK-GFCCVEGCSA-N 316.426 3.217 0 40 DGAB Oc1ccc(-c2nc(O)c3c4c(sc3n2)CCCC4)c(O)c1 408735081 NRGQCYSTASJAMF-UHFFFAOYSA-N 314.366 3.354 0 40 DGAB O=C1[C@@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H]1C=C[C@H]2C12CC2 409381904 KMBPLKNEDZTOSV-TUVASFSCSA-N 313.784 3.037 0 40 DGAB NC(=S)N1N=C(c2cccnc2)C[C@H]1c1ccc(Cl)cc1 72333069 RCTWIMKASMRFDX-AWEZNQCLSA-N 316.817 3.130 0 40 DGAB Cc1cccc([C@H]2NCc3cc4c(cc3-n3cccc32)OCO4)n1 55231392 FGRZNACKMKJKEK-LJQANCHMSA-N 319.364 3.102 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2c(C)nc3ccccn23)cc1 75287171 RVCSHWYZRWALEZ-GFCCVEGCSA-N 309.369 3.142 0 40 DGAB Cc1cc(Cl)cc2c(=O)c(I)c[nH]c12 72207184 YDIWUEPHZGHHSF-UHFFFAOYSA-N 319.529 3.095 0 40 DGAB CSc1ncccc1C(=O)N1CC[C@H](c2ccsc2)C1 670630529 ZSDWUTNNXJUQGF-NSHDSACASA-N 304.440 3.495 0 40 DGAB O=C1CN(C(=O)[C@@H]2SCCc3ccccc32)c2ccccc2N1 74238683 ISRWXNABMXLDDP-QGZVFWFLSA-N 324.405 3.002 0 40 DGAB C[C@@H](CN(C)C)Nc1ncc(-c2ccco2)c(-c2ccco2)n1 72396883 LFEXBBLTYRQECD-LBPRGKRZSA-N 312.373 3.359 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCC2=CCCCC2)cc1C 225101066 OIDBKKQCVBSZGC-UHFFFAOYSA-N 309.431 3.091 0 40 DGAB Cc1ccc(NC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 44845126 FVKYQZCABKOGDA-UHFFFAOYSA-N 303.749 3.391 0 40 DGAB Cc1csc(C(=O)NCCc2nc(-c3cccs3)c[nH]2)c1 75170775 CJAKTOATLVPCAL-UHFFFAOYSA-N 317.439 3.481 0 40 DGAB O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1cc(-c2ccco2)ccc1F 195578950 YKPWLYURLQNWNR-DGCLKSJQSA-N 318.348 3.368 0 40 DGAB COCc1cccc(NS(=O)(=O)Cc2ccccc2C)c1 224167592 JHGKHXIWZBPDGA-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB C[C@H](SC(=S)N1CCCC1)C(=O)N(C)C1CCCCC1 97603795 IDILVJIQKKFQEU-LBPRGKRZSA-N 314.520 3.280 0 40 DGAB CC(C)=CC(=O)NC1CCC(CN(C)C(=O)C=C(C)C)CC1 96406432 ZTMRVPUOMRSQLT-UHFFFAOYSA-N 306.450 3.052 0 40 DGAB c1ccc(CNC[C@H]2Cn3cc(-c4ccccc4)nc3CO2)cc1 96296289 AGRASPSJWNILAO-SFHVURJKSA-N 319.408 3.239 0 40 DGAB biogenic,in-vitro CC(C)(C)c1ccc(/C=C2/SC(=O)N(CC(=O)O)C2=O)cc1 90158895 GHNJFMHXVOPQIV-XYOKQWHBSA-N 319.382 3.105 0 40 DGAB Cc1ccc(CCC2CCN(C(=O)c3nccn3C)CC2)cc1 96421323 NYUDAQFPDPWZTM-UHFFFAOYSA-N 311.429 3.214 0 40 DGAB CCc1cc(CNC(=O)NCC[C@@H](C)c2ccccc2)on1 96421495 JMRQUBPUQPTGQJ-CYBMUJFWSA-N 301.390 3.230 0 40 DGAB CCCc1ccccc1NC(=O)c1ccc(CNC(N)=O)cc1 24503254 BQTVOYQNNGJDMC-UHFFFAOYSA-N 311.385 3.060 0 40 DGAB Cc1noc(C)c1-c1cccc(C(=O)NCCc2ccccc2)n1 257221549 DPOCMBFIVPHONI-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB CC(C)c1occc1C(=O)N(C)Cc1ccc(C(=O)O)cc1 263084236 HGGUCZKUGJUZTO-UHFFFAOYSA-N 301.342 3.373 0 40 DGAB CCc1nc(Cl)c(C)c(N2CCN(c3ccccc3)CC2)n1 72307750 AUQNUWKWGSVRPA-UHFFFAOYSA-N 316.836 3.327 0 40 DGAB Cc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccccc1 366571 KSYXWFBDLZYRCR-ZPHPHTNESA-N 309.394 3.198 0 40 DGAB COc1ccccc1[C@@H](O)c1cnc(C)n1Cc1ccccc1 5504230 LEVWMRJTPKKPTI-LJQANCHMSA-N 308.381 3.330 0 40 DGAB C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C 5603622 ZIPFLVNUPROOQC-RFUYNDQBSA-N 317.429 3.261 0 40 DGAB CCCC(=O)N[C@@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12242092 QIUBSXRNDPHORB-CQSZACIVSA-N 316.449 3.007 0 40 DGAB Cc1oncc1C(=O)Nc1ccsc1-c1nc(C2CC2)no1 206668444 BOOHHPVVRVEZFJ-UHFFFAOYSA-N 316.342 3.224 0 40 DGAB CCOc1ccc(C2=N/C(=C\c3ccccc3OC)C(=O)O2)cc1 8180020 GFLBNQASEUQVIE-VBKFSLOCSA-N 323.348 3.438 0 40 DGAB Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@H](C)C4(C)C)C(=O)O2 35464618 ZEQQGKYQWBIUCT-SSDOTTSWSA-N 300.310 3.151 0 40 DGAB biogenic,in-vitro CC[C@@H](C)c1ccccc1NC(=O)CSc1nncn1C 6063565 AZSRVQPYWYGBRK-LLVKDONJSA-N 304.419 3.059 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(Cc3c(C)noc3C)C2)n1 1849485363 GGLNVPZOGSUEMT-INIZCTEOSA-N 315.417 3.286 0 40 DGAB O=S(=O)(N1CCCCCC1)N1CCC[C@H]1c1cccs1 23398366 AMQVVUAGJHWXFQ-ZDUSSCGKSA-N 314.476 3.006 0 40 DGAB Cc1cnc(C)c(OC2CCN(c3nc4ccccc4o3)CC2)n1 2087146399 SEJQNLMTOVDDME-UHFFFAOYSA-N 324.384 3.282 0 40 DGAB CC[C@@H]1CO[C@@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 1565550429 CUSBUIVYFBHSJG-KSSFIOAISA-N 303.402 3.035 0 40 DGAB Cc1nccn1CCCn1c(C)nc(=O)c(-c2ccccc2)c1C 1428035 VKWDFOCSOWWONI-UHFFFAOYSA-N 322.412 3.122 0 40 DGAB Cc1cc(OC[C@@H](O)Cn2cnc3ccccc32)ccc1Cl 21659882 YWJPPRVPRQOMBW-ZDUSSCGKSA-N 316.788 3.438 0 40 DGAB O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccccc1F 10464411 PPYKTOGFQAPFEB-UHFFFAOYSA-N 310.332 3.333 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)Cc1ccc(-c2ccccc2)cc1 40088267 VEKHADISTHNFHX-INIZCTEOSA-N 319.408 3.298 0 40 DGAB Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)Nc1nncs1 40141668 QEFOTIGOYIDSJN-NSHDSACASA-N 305.403 3.376 0 40 DGAB Cc1nc(/C=C/C(=O)NCc2cccc(OC(F)F)c2)cs1 50367236 CJKUDWCDNQECKD-AATRIKPKSA-N 324.352 3.383 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cc3ccccc3oc2=O)c1 130259 IZZDNYJVBBICJA-UHFFFAOYSA-N 307.305 3.248 0 40 DGAB CNC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 40596173 HCPCTRUUGIKTQN-JTQLQIEISA-N 301.217 3.065 0 40 DGAB O=C(C1CN(C(c2ccccc2)c2ccccc2)C1)N1CCCC1 20734032 FEVVIWXZEIQLTQ-UHFFFAOYSA-N 320.436 3.330 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)c3nccnc3N)cc2)cc1 11987451 YHOJFQOAAPUDDA-UHFFFAOYSA-N 320.352 3.412 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1 2653666 PRELLTXUHYBOAQ-UHFFFAOYSA-N 319.382 3.340 0 40 DGAB COc1ccc([C@H]2CCCN2c2cncc(-n3cccn3)n2)cc1 60881347 ZWJABDKTHXZBHC-MRXNPFEDSA-N 321.384 3.012 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1cnn(-c2ccccc2)n1 52988428 CIXMZIHDMZQCON-GFCCVEGCSA-N 324.409 3.088 0 40 DGAB COc1ccc(Nc2nnc(-c3ccc4c(c3)OCO4)o2)cc1 1573468 MXQFLBXWIIRXIW-UHFFFAOYSA-N 311.297 3.218 0 40 DGAB O=C1NC(=O)[C@](c2ccc(Cl)cc2)(c2cccc(Cl)c2)N1 1589971 NVXXMIBJZKNOQN-HNNXBMFYSA-N 321.163 3.076 0 40 DGAB O[C@H](CNc1ccnc2cc(Cl)ccc12)COCC1CC1 78649662 VTMTTWDVLDAYBX-CYBMUJFWSA-N 306.793 3.088 0 40 DGAB CN(Cc1c(F)cccc1Cl)C(=O)COc1ccc(O)cc1 78808995 FJGAACUYOPISPL-UHFFFAOYSA-N 323.751 3.222 0 40 DGAB COCCNC(=S)Nc1ccccc1Oc1ccccc1 2778186 TVSBSUJKDUJBQF-UHFFFAOYSA-N 302.399 3.412 0 40 DGAB Cc1cc(NC(=O)N(Cc2ccccc2)C[C@@H]2CCCO2)no1 53748846 PZVFLSLIFVSPCC-HNNXBMFYSA-N 315.373 3.196 0 40 DGAB Cc1noc(C)c1COC(=O)CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 104176085 RVHQNZOMTHKEOF-JDPPGYRCSA-N 319.401 3.056 0 40 DGAB O=C(Nc1cc(Br)cc(Cl)c1O)c1ccon1 97022601 WLODXIREOFDBOD-UHFFFAOYSA-N 317.526 3.048 0 40 DGAB O=S(=O)(N[C@@H]1CCc2ccccc21)c1ccccc1Cl 10752602 GFEHFDOECZGVKB-CQSZACIVSA-N 307.802 3.306 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2ccccc2C1 23748646 VNPFOYVWGDURHS-CYBMUJFWSA-N 305.381 3.042 0 40 DGAB O=C(NC1CCCCCC1)c1cc(-n2cnnc2)ccc1Cl 1430009 PQKXRBPQTWXWMN-UHFFFAOYSA-N 318.808 3.373 0 40 DGAB CCOC(=O)C1=C(C)N=C(NC)S[C@H]1c1ccc(C)cc1 1410009 GTYYMMWABGIWLL-AWEZNQCLSA-N 304.415 3.195 0 40 DGAB COc1ccc([C@H]2NC(=O)c3ccccc3N2)cc1OC(F)F 12537273 YKLKMWWFWDKJMR-CQSZACIVSA-N 320.295 3.151 0 40 DGAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCC[C@@H](O)C1 72294271 RBSBLAWMXUTJCK-QGZVFWFLSA-N 317.433 3.056 0 40 DGAB Cc1cc(C)c([C@@H](C)NC(=O)C(=O)NC2CCCCC2)cc1C 22540464 DOVLMSKKYIMYAX-OAHLLOKOSA-N 316.445 3.238 0 40 DGAB Cc1ccccc1C[S@@](=O)CCC(=O)Nc1ccc(F)cc1 58155615 ZNUBHMVGYXMUCK-JOCHJYFZSA-N 319.401 3.412 0 40 DGAB Cc1cc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c(C)o1 44890747 QPWNTXVWZSOLSN-INIZCTEOSA-N 309.369 3.149 0 40 DGAB C[C@H](NC(=O)COc1cccc2c1CCC2=O)c1cccs1 44892873 YDOPLSYWJKVNSX-NSHDSACASA-N 315.394 3.133 0 40 DGAB COCCOc1ccc(NC(=O)C(C)(C)c2ccccc2)cn1 58759133 WMSPUAAIXHODEC-UHFFFAOYSA-N 314.385 3.023 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)c2ccc(Cl)o2)cn1 58216758 ZTFHXQYZHMXTBQ-UHFFFAOYSA-N 302.721 3.074 0 40 DGAB C[C@@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 108350276 XKHZFFVTORRINN-GPCCPHFNSA-N 303.233 3.102 0 40 DGAB O=C(O)c1cnc(/C=C/c2cc(Cl)c3c(c2)OCO3)s1 58369111 BCSVCOUCAZDHIG-OWOJBTEDSA-N 309.730 3.394 0 40 DGAB CCN(C(=O)[C@H]1Cc2ccccc2C(=O)O1)c1cc(C)ccc1C 45517137 IQCUKBOBMVVHEQ-GOSISDBHSA-N 323.392 3.438 0 40 DGAB Cc1n[nH]cc1CN[C@@H]1CCCc2c1cnn2Cc1ccccc1 97159515 XXTMXRRBTVIHGW-GOSISDBHSA-N 321.428 3.130 0 40 DGAB CSCc1ccccc1NC(=O)NCCc1ccccn1 97136537 IKCOQLJTAXMTIX-UHFFFAOYSA-N 301.415 3.309 0 40 DGAB O=[S@@](Cc1ccc(-n2cccn2)cc1)c1ccc(F)c(F)c1 97115193 SENLONDRKIEPBG-JOCHJYFZSA-N 318.348 3.458 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCc2sccc2[C@@H]1C 48340052 UXZNBLBFMDDJML-GFUIURDCSA-N 315.442 3.258 0 40 DGAB COc1cc(NC(=O)COc2ccc(Cl)cc2)cc(OC)c1 3606462 ZKONSKBBUZHLGR-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB Cc1noc(Cl)c1CCC(=O)N1CCc2sccc2C1 49450838 GKMZZTFZSZKJJG-UHFFFAOYSA-N 310.806 3.215 0 40 DGAB O=C(/C=C/c1csc([N+](=O)[O-])c1)c1csc(C(=O)O)c1 84338617 VHBJMTPOJGOJOI-OWOJBTEDSA-N 309.324 3.312 0 40 DGAB CCC(=O)Nc1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1 39345743 QILNEFRFTFYFHM-UHFFFAOYSA-N 319.382 3.231 0 40 DGAB CCCc1nc(C(C)(C)NC(=O)c2sc(CC)nc2C)no1 65406105 YKJVGIWRAWEDCC-UHFFFAOYSA-N 322.434 3.015 0 40 DGAB Cc1ccc(NC(=O)Cn2nccc2-c2ccncc2)cc1F 65547768 OBIFLMWJUFHUSG-UHFFFAOYSA-N 310.332 3.031 0 40 DGAB CCS(=O)(=O)c1ccc(C(=O)N(C)C2CCCCCC2)cc1 65585725 QIEULJUDPRBSPB-UHFFFAOYSA-N 323.458 3.275 0 40 DGAB O=C1[C@H]2CS[C@H](c3cccs3)N2C(=O)N1c1ccccc1 4520154 RHQSYROQZIPAOE-BXUZGUMPSA-N 316.407 3.331 0 40 DGAB CC(C)CNC(=O)Nc1nc(Sc2ccccc2)ns1 84544320 XMIDNVBFKDNVCT-UHFFFAOYSA-N 308.432 3.467 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3sccc3C)C2=O)c1 409229146 KJUVQOGKGOBOIR-NTEUORMPSA-N 312.394 3.458 0 40 DGAB COc1ccc(Oc2coc3cc(O)cc(O)c3c2=O)cc1 5910963 CQMQUCXHHMUNAB-UHFFFAOYSA-N 300.266 3.005 0 40 DGAB biogenic CCN(CC)C(=O)c1ccc(NC(=O)[C@@H]2CC=CCC2)cc1 16001160 MAGOJXQBSBSVSC-CQSZACIVSA-N 300.402 3.463 0 40 DGAB Clc1cccc(OCCn2nnc(-c3ccccc3)n2)c1 7736145 VANPRQQMIHBPRD-UHFFFAOYSA-N 300.749 3.073 0 40 DGAB Cc1cc(COC(=O)c2cc(=O)c3cc(Cl)ccc3o2)no1 7762411 ZODQFPWZYDFHIO-UHFFFAOYSA-N 319.700 3.100 0 40 DGAB Cc1ccc(-c2n[nH]cc2CN2CC[C@H](Oc3ccncc3)C2)o1 93865771 WLQBNIWMLYDDQV-INIZCTEOSA-N 324.384 3.026 0 40 DGAB CN(CCO)c1ncnc2scc(-c3ccc(Cl)cc3)c12 8079937 WTHSLPVYVGCJFP-UHFFFAOYSA-N 319.817 3.440 0 40 DGAB Cc1noc(C)c1C(=O)N(C)Cc1nc2ccccc2s1 8264930 AXPQUCAPSNRVPW-UHFFFAOYSA-N 301.371 3.173 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(C)c1 69615763 XMDKEIKEVFHQGJ-LLVKDONJSA-N 317.414 3.221 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[C@H](c2ccccc2)C1 69653428 QBRKNQWLMQZDOJ-BPQIPLTHSA-N 300.446 3.171 0 40 DGAB CCCSCC(=O)Nc1ccccc1NC1CCN(C)CC1 69892731 VWDGQQQZJUWGOJ-UHFFFAOYSA-N 321.490 3.274 0 40 DGAB Fc1ccc(CN2CCC[C@@H]2Cn2cccn2)c2ncccc12 69811419 MXCPZJBTHFGOSF-OAHLLOKOSA-N 310.376 3.235 0 40 DGAB CCN(C)C(=O)c1cccc(OCc2cnc(Cl)s2)c1 84760792 DNJKZEYRTKWTDZ-UHFFFAOYSA-N 310.806 3.467 0 40 DGAB C[C@@H](NC(=O)Nc1cccnc1)c1cccc(-n2cccn2)c1 72930735 WMFRJMOBHRWNHR-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB CN(C)C(=O)c1cccc(OC(=O)c2coc3ccccc23)c1 71904426 SAIVCYPGFMUOIF-UHFFFAOYSA-N 309.321 3.354 0 40 DGAB CC(C)(C)c1cnc([S@@](=O)Cc2nccn2C(F)F)s1 95413805 WWJHLUNBTGASGL-HXUWFJFHSA-N 319.402 3.340 0 40 DGAB C[C@H](c1ccccc1)n1ccc(NC(=O)CC[C@H]2CCCO2)n1 95414310 XHFBBEXYGQHEBV-GDBMZVCRSA-N 313.401 3.390 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)N1CCc2sccc2C1 9896606 WSNOLSLIDGWKMB-UHFFFAOYSA-N 311.410 3.142 0 40 DGAB Cc1n[nH]c(SCCC(=O)N2CCC[C@H]2c2cccs2)n1 73401649 UJWBSUSVWMTAFQ-NSHDSACASA-N 322.459 3.021 0 40 DGAB O=C(NCCCF)N1CCC(Oc2ccccc2Cl)CC1 89814442 JXBFVGUMYGVMQP-UHFFFAOYSA-N 314.788 3.252 0 40 DGAB O=C(c1ccncc1Cl)N1CCC[C@H](Nc2ccccc2)C1 89845689 GJSLYMVFPARJNE-AWEZNQCLSA-N 315.804 3.452 0 40 DGAB CCOC(=O)N1CCC(NC2(c3ccccc3F)CC2)CC1 183158915 QMYALSBKRMLWNE-UHFFFAOYSA-N 306.381 3.025 0 40 DGAB CCOc1ccc(NC(=O)[C@@H](C)Oc2ccccc2)cc1OC 23076440 RWMRWGHAYWOYKJ-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB Cc1cc(C)c2nc(NCCCN3CCOCC3)sc2c1 56900939 LSVJJYLPIUEAJV-UHFFFAOYSA-N 305.447 3.047 0 40 DGAB CCNC(=S)Nc1cc(/C=C/C(=O)O)cc(Cl)c1Cl 216930012 FLTPJSUWJQIJPK-ONEGZZNKSA-N 319.213 3.398 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)Cc1ccccc1 216364321 FSNOORHTSOLHGF-UHFFFAOYSA-N 305.381 3.040 0 40 DGAB CCOCCCNC(=O)c1cc(Br)ccc1Cl 37975468 JMUNHZDHYYXEJW-UHFFFAOYSA-N 320.614 3.259 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)c2ccc(C)nc2)c(C)c1 72330219 LJCWOPBKQDGVBM-UHFFFAOYSA-N 312.369 3.111 0 40 DGAB CC(C)(CNC(=O)N1CCc2ccccc2C1)N1CCCCC1 49786570 LOLLQYVQHNBEDC-UHFFFAOYSA-N 315.461 3.019 0 40 DGAB CCCOc1ccc(NC(=O)[C@](C)(CC)OC)cc1C(=O)OC 225790245 FUDFZSOKJONHBJ-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB C[C@H]([C@H](O)c1ccccc1)N1CC[C@H](Nc2ccccc2)CC1=O 40433801 YKGWVPYIUSCMSX-BPAFIMBUSA-N 324.424 3.212 0 40 DGAB CCO[C@@H]1C[C@H](Nc2cccc(-c3ncn(C)n3)c2)C12CCC2 194990986 KKFFOOAHRASTIN-JKSUJKDBSA-N 312.417 3.242 0 40 DGAB O=C(NC1CCOCC1)N1C[C@H]2CCCC[C@]21c1ccccc1 96491795 KHCOZPXIAHNHOC-APWZRJJASA-N 314.429 3.276 0 40 DGAB CC(=O)N(C)[C@@H]1CCSc2ccc(Br)cc21 96404042 MEUIZNZQYQICBP-LLVKDONJSA-N 300.221 3.464 0 40 DGAB Cc1nc(CSc2nnc(CCCc3ccccc3)o2)no1 96430331 SURVHXUJSILPAE-UHFFFAOYSA-N 316.386 3.229 0 40 DGAB C[C@@H](N[C@H]1CC(=O)N(C2CC2)C1)c1cccc(-c2ccncc2)c1 90181866 CJDYFDHYWHGFMT-KDOFPFPSSA-N 321.424 3.163 0 40 DGAB Cc1ccc(C[C@H](C)NC(=O)N(C)Cc2c(C)noc2C)s1 96415591 GSDIGXMPYJACCJ-JTQLQIEISA-N 321.446 3.434 0 40 DGAB O=C(NCCSc1ccccc1)N[C@@H]1CCO[C@H](C2CC2)C1 97378889 BNABOZKYFWRCHK-ZBFHGGJFSA-N 320.458 3.036 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 257283125 OWVWCFJXNBXVSJ-AWEZNQCLSA-N 322.412 3.294 0 40 DGAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccccc2)nc1 257243030 IFFWCYVVIHHIMY-IBGZPJMESA-N 309.413 3.055 0 40 DGAB CCOCC(=O)N1CCC(CSc2ccc(OC)cc2)CC1 85472324 OWMFKNZNVVRJPC-UHFFFAOYSA-N 323.458 3.062 0 40 DGAB NC(=O)c1cnc([C@@H]2CCCCN2CCc2ccccc2)s1 585180162 ZWDFTKFKYRZQMT-AWEZNQCLSA-N 315.442 3.012 0 40 DGAB O=C(c1cnccn1)N(Cc1c(F)cccc1F)C1CCCC1 69561637 UHAVYSTYHZDMRR-UHFFFAOYSA-N 317.339 3.340 0 40 DGAB COC(=O)N1CCC(N[C@H]2CCCSc3ccccc32)CC1 89401035 HXRKRCRDSOEBBO-HNNXBMFYSA-N 320.458 3.434 0 40 DGAB CCn1cc(C2CCN(C(=O)Nc3ccc(C)cn3)CC2)cn1 96010667 LZYKVBAXXUXHNH-UHFFFAOYSA-N 313.405 3.018 0 40 DGAB CCCCCOc1ccc(N2C(=O)[C@H](C)CNC2=S)cc1 5550663 QFGUQQMISSYDDW-GFCCVEGCSA-N 306.431 3.113 0 40 DGAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCO1 12144739 KPYILEUQJVCYME-ZBFHGGJFSA-N 301.386 3.118 0 40 DGAB CCc1cccc2cc(CNCCc3ccccc3)c(=O)[nH]c12 13566545 QZCVBMUKTLPNEK-UHFFFAOYSA-N 306.409 3.423 0 40 DGAB S=C(Nc1ccc(C2=NCCO2)cc1)NC1CCCCC1 16401224 XPDLYBOYPBOXNU-UHFFFAOYSA-N 303.431 3.083 0 40 DGAB Cc1csc(C(=O)N2CCC[C@H](c3cc(O)cc(C)n3)C2)c1 19124527 FCPKADIBDDZHFO-ZDUSSCGKSA-N 316.426 3.485 0 40 DGAB C[C@@H](N1CCN(C)CC1)[C@](O)(c1ccccc1)C1CCCCC1 19365818 WEMKXTZKYQLYKL-XLIONFOSSA-N 316.489 3.090 0 40 DGAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2Cc1cccc2cccnc12 19713202 LXBKXDFSTGXWJV-ZWKOTPCHSA-N 323.440 3.210 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H](C)c1cccnc1 155039834 QLDUFIGUCHTFOT-NSHDSACASA-N 300.362 3.480 0 40 DGAB CCC(=O)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 11074070 OGNPUGXRINWATQ-NSHDSACASA-N 308.378 3.357 0 40 DGAB CC(=O)c1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 10402633 SAKSPZXPDNDEKG-UHFFFAOYSA-N 311.337 3.189 0 40 DGAB Cc1ncnc(C(=O)Nc2nc(-c3ccccc3)cs2)c1C 1888890940 LCLBXXVUHCLAQW-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB Cc1cc(Cl)nc(Cl)c1S(=O)(=O)NC1CCCCC1 93034 BLODWYBBVPAUTK-UHFFFAOYSA-N 323.245 3.308 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccnn2CC)sc(C)c1C 11695984 CDHDBRPHUZTUEZ-UHFFFAOYSA-N 321.402 3.010 0 40 DGAB O=C(NCc1ccccc1)NCc1cc(-c2ccccc2)ncn1 585359702 ZVEWQGLWEXWARL-UHFFFAOYSA-N 318.380 3.143 0 40 DGAB O=C(CSc1ccc(F)cc1)NC[C@H]1COc2ccccc21 342656546 OWFLOPLGXRXAJA-LBPRGKRZSA-N 317.385 3.210 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 96490870 KUNYZRBSLDKYDQ-STQMWFEESA-N 322.817 3.365 0 40 DGAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2)C1 40157091 LNOJYOFPDPDUKQ-LBPRGKRZSA-N 308.809 3.317 0 40 DGAB Cc1nc2ccccc2c(=O)n1-c1ccc2c(c1)OC(F)(F)O2 88223 PGKLVWFLUMSDQG-UHFFFAOYSA-N 316.263 3.016 0 40 DGAB O=C(NC1CCCCC1)c1nc(-c2c[nH]c3ccccc23)no1 20745766 ZQOLGSQPUFMIDD-UHFFFAOYSA-N 310.357 3.280 0 40 DGAB CCOC(=O)c1cnc(SC)nc1Nc1ccccc1C 214219 VIOPXLDBQVZZTA-UHFFFAOYSA-N 303.387 3.427 0 40 DGAB Cn1c(=O)n(Cc2ccc(Br)cc2)c2ccccc21 301626 UOBXJBRVEDGTQK-UHFFFAOYSA-N 317.186 3.151 0 40 DGAB COc1ccc(C(=O)Oc2ccc3oc(=O)sc3c2)cc1 312545 LMGTUKMBKKPTGE-UHFFFAOYSA-N 302.307 3.082 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2ccccc2C)c(OC)c1 365546 OBDIVGWXTXKSQZ-UHFFFAOYSA-N 314.337 3.400 0 40 DGAB C/C=C/C=C/C(=O)NCc1ccc(CNC(=O)/C=C/C=C/C)cc1 3136740 SNLRMWWTNHAXEC-MIIZMDLZSA-N 324.424 3.184 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2F)c1 3316449 PITMVTRTBCPIJD-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1ccc(CNC(=O)CSc2ccccc2)cc1OC 3604008 DUSDVYCPGWBJPA-UHFFFAOYSA-N 317.410 3.112 0 40 DGAB Cc1ccc(SC[C@@H]2CN=C3Nc4ccccc4C(=O)N32)cc1 4091867 YKOANHILEIULFZ-ZDUSSCGKSA-N 323.421 3.393 0 40 DGAB CCSc1cccc(C(=O)Nc2sccc2C(=O)NC)c1 4585787 LOYQKVVVEBUHRU-UHFFFAOYSA-N 320.439 3.472 0 40 DGAB CC(C)c1ccc(NC(=O)CCC(=O)NCc2ccco2)cc1 4700511 OLVXWHRQMKZSCQ-UHFFFAOYSA-N 314.385 3.438 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)NC1CCCCC1 6296143 MKOOMRMVPBBYSM-UHFFFAOYSA-N 306.431 3.186 0 40 DGAB CC(=O)CSc1nc2ccccc2c(=O)n1C1CCCC1 6531374 XBLDNBKESULLEL-UHFFFAOYSA-N 302.399 3.193 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)c1cnccn1 6608592 TUAVIGUQYVXMQQ-UHFFFAOYSA-N 306.350 3.492 0 40 DGAB O=C(Nc1cccc2c1CCCC2)[C@H]1CCCC[C@H]1C(=O)O 6668206 WBBPHNRIFMXEQZ-LSDHHAIUSA-N 301.386 3.395 0 40 DGAB O=C(CCc1nc(-c2ccsc2)no1)NCc1ccccc1 7943278 OCUQVYSPROWBLA-UHFFFAOYSA-N 313.382 3.047 0 40 DGAB O=C(N[C@H](c1ccc(F)cc1)c1cccs1)c1cnccn1 8393215 QOWZIVXIIMXHDY-OAHLLOKOSA-N 313.357 3.197 0 40 DGAB Cc1ccn2cc(C(=O)Nc3cccc4ncccc34)nc2c1 9459837 WXPAYALZTIUXGR-UHFFFAOYSA-N 302.337 3.443 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(C(C)(C)C)no2)s1 9610023 PWDMWEBQYORVDF-UHFFFAOYSA-N 322.386 3.138 0 40 DGAB O=C(CCC(=O)N1CCc2sccc2C1)c1cccs1 10885068 NMVWYUMMNGBOHL-UHFFFAOYSA-N 305.424 3.357 0 40 DGAB C[C@H](OC(=O)C1=Cc2ccccc2OC1)C(=O)c1ccccc1 11188403 TWDUJUWNPNBYLR-ZDUSSCGKSA-N 308.333 3.277 0 40 DGAB CCCOc1ccc(Cl)cc1S(=O)(=O)N[C@H](C)CC 11614062 LENVSGMBVHPXOU-SNVBAGLBSA-N 305.827 3.206 0 40 DGAB C[C@@H](NC(=O)NCCc1cccnc1)c1ccccc1Cl 12545833 IKACIRGWKUVBRS-GFCCVEGCSA-N 303.793 3.338 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)c(F)c1 12548126 NFENZOAXHZCHLA-SECBINFHSA-N 301.296 3.332 0 40 DGAB CC[C@@H](C)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 13947793 JMYYLAXKLJEZFC-CYBMUJFWSA-N 304.415 3.074 0 40 DGAB CCCc1ccc(S(=O)(=O)NCc2ccccc2F)cc1 14224892 FIIQGMJZFIFNPL-UHFFFAOYSA-N 307.390 3.257 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCSCc2ccco2)c1 14396958 ZDGZLSPCQUOYMA-CQSZACIVSA-N 319.426 3.405 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1F 15860048 XFSLAYQEUFKOTA-INIZCTEOSA-N 316.376 3.376 0 40 DGAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 19207785 FQJFRURLNFWAJK-UHFFFAOYSA-N 320.295 3.326 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736490 XUEWQBCUYPFHMB-SNVBAGLBSA-N 320.776 3.337 0 40 DGAB COc1ccc(NC(=O)c2ccc(Cl)c(N)c2)c(OC)c1 20193849 LOXZXJXYZMHSJR-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C1CCCCC1 21822155 WQKAHDPMUAHGID-UHFFFAOYSA-N 305.809 3.341 0 40 DGAB CCc1cccc2c3c(n(C)c12)[C@@](CC)(CC(=O)O)OCC3 21981204 FVGKDAYQHVFRGK-GOSISDBHSA-N 301.386 3.393 0 40 DGAB in-vitro Cc1cc(NC(=O)[C@H](C)N(C)Cc2cccc(Cl)c2)on1 22910920 WTLDWSOLEXGDOP-NSHDSACASA-N 307.781 3.095 0 40 DGAB C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(-n2ccnc2)cc1 23564857 QQVAVCHHSMKPDA-NSHDSACASA-N 314.776 3.345 0 40 DGAB C[C@H](Cn1cccn1)NC(=O)Cc1ccc(-c2ccccc2)cc1 24804922 ZKGGPAFIFYHILG-MRXNPFEDSA-N 319.408 3.298 0 40 DGAB CCCn1nccc1C(=O)Nc1ccc(-n2ccnc2C)cc1 28245410 HBPFFFXZRKLEMQ-UHFFFAOYSA-N 309.373 3.040 0 40 DGAB O=c1n(CCSCc2cccc(Cl)c2)nc2ccccn12 28907361 PBLLIHYKYBDQEH-UHFFFAOYSA-N 319.817 3.083 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2C)cc1 31075965 MOJMJHWCFDYZKL-GFCCVEGCSA-N 307.440 3.365 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(NC(N)=O)cc2)cc1 32901846 MTIFRRDIBCEQEB-UHFFFAOYSA-N 313.357 3.218 0 40 DGAB COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1N1CCCC1=O 32914671 RTBYWRAIARARGK-ZDUSSCGKSA-N 314.385 3.117 0 40 DGAB COC(=O)c1cc(-c2ccc(C)cc2)nc2cc(C3CC3)nn12 36615679 IBDHDACXEWWDHM-UHFFFAOYSA-N 307.353 3.369 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1 36635339 JYLGNNKOKOELBV-INIZCTEOSA-N 308.381 3.356 0 40 DGAB O=C(CNc1cccc(F)c1F)N1CCc2sccc2C1 40230615 FAXOZBXNQDYSST-UHFFFAOYSA-N 308.353 3.023 0 40 DGAB O=C(NCC1CCN(c2ccccn2)CC1)Nc1cccs1 43976394 LBAAMUHAWIAXSS-UHFFFAOYSA-N 316.430 3.181 0 40 DGAB COc1ccc(NC(=O)N[C@H]2CCOc3ccccc32)cc1F 48448344 VMJAPYFGLQJLRP-AWEZNQCLSA-N 316.332 3.480 0 40 DGAB CCn1c(C(=O)OCc2ccc(C(N)=O)cc2)cc2ccccc21 52380990 PTOZRFCQXPMNNK-UHFFFAOYSA-N 322.364 3.117 0 40 DGAB O=C(Cc1cccs1)NCc1ccccc1CN1CCCC1 52399651 CRQNZRMFIJHZAE-UHFFFAOYSA-N 314.454 3.203 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c(C)c1 59227397 VCMZCXWTZLLVCA-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@@H]1c1c[nH]c2ccccc12 60071066 NTPWBSOAOODTEW-PXAZEXFGSA-N 316.357 3.003 0 40 DGAB Cc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)s1 65621145 ZRCMZTJEIFYZRL-UHFFFAOYSA-N 315.442 3.193 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H](n2cccn2)C1 69432551 RDHFFPNPVDLSOY-INIZCTEOSA-N 322.412 3.161 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 69779860 CRNHLMLIHYGZNR-ZIAGYGMSSA-N 321.490 3.274 0 40 DGAB Cc1cc(C)c(CNC(=O)N[C@@H]2CCCC[C@H]2C(C)C)c(=O)[nH]1 71799616 NTSSHXROYZIWJX-GOEBONIOSA-N 319.449 3.006 0 40 DGAB COc1ccccc1N1CC[C@H](CNCc2cccc(O)c2)C1 71851725 LYGVQUXDSFYFKL-MRXNPFEDSA-N 312.413 3.017 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2c2ccco2)C1 71870783 GBGOHDIWMGGELA-ILXRZTDVSA-N 313.401 3.006 0 40 DGAB CC(C)CC(=O)N[C@H]1CCN(c2ccccc2OC(F)F)C1 71909672 GYYNPFCNLDIGOK-LBPRGKRZSA-N 312.360 3.029 0 40 DGAB O=C(C[C@H]1CCc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 72285781 IGLKSTDAJCGTBD-HZPDHXFCSA-N 309.413 3.236 0 40 DGAB CSc1nsc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)n1 72333694 BNQLTUAAJNDASP-DTWKUNHWSA-N 317.505 3.047 0 40 DGAB c1cnc(Nc2nccnc2[C@@H]2CCCN2C2CCCC2)nc1 72363427 CKTCISJCGWOTGW-AWEZNQCLSA-N 310.405 3.090 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cccc(-n2cccn2)c1 74727799 GAIGOCIGVNAJGR-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 75602271 GGBAWLKAPIVPEV-NSHDSACASA-N 307.781 3.261 0 40 DGAB Cc1cn2c(CNC[C@H](C)CN3CCCCC3)c(C)nc2s1 77290552 JKYARBKEWLMCDF-ZDUSSCGKSA-N 320.506 3.224 0 40 DGAB C[C@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccn(C)c1=O 78937829 XLYHMSZLWKJVJT-LLVKDONJSA-N 319.792 3.264 0 40 DGAB O=C(OCCCOC1CCCC1)c1ncoc1-c1ccco1 79350722 YFDIBKYPVKMKSX-UHFFFAOYSA-N 305.330 3.441 0 40 DGAB CC(C)[C@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccccc1Cl 81495927 UVHSQIXPLIERQF-ZENOOKHLSA-N 322.836 3.273 0 40 DGAB O=C(NCC[C@H](O)c1ccccc1)c1nc2ccccc2s1 85436437 NSIDIINSMIHEGS-AWEZNQCLSA-N 312.394 3.150 0 40 DGAB Nc1ncc(-c2nc(-c3ccc(Br)cc3)no2)s1 89263071 AUAZDQZKUGMYCC-UHFFFAOYSA-N 323.175 3.205 0 40 DGAB CCc1ncc(CN(C)Cc2ccc(C(=O)OC)s2)s1 89296025 GMZGMOJYJKPSCB-UHFFFAOYSA-N 310.444 3.186 0 40 DGAB COc1cc([C@H](C)N[C@H]2CCN(C(C)C)C2=O)ccc1SC 89729409 AIHKBARRUJRGPM-JSGCOSHPSA-N 322.474 3.077 0 40 DGAB O=C(CC(F)(F)F)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89763431 CMZHVGKXFKAZJB-LLVKDONJSA-N 307.699 3.272 0 40 DGAB CCO[C@@H]1C[C@H](O)C12CCN(c1ccnc3ccsc13)CC2 89986580 TVSLUXSDYLPJJN-LSDHHAIUSA-N 318.442 3.053 0 40 DGAB Cc1ocnc1CNC(=O)N1CCC[C@H]1CCc1ccccc1 92520705 UWWWUHQLVPXLOG-INIZCTEOSA-N 313.401 3.290 0 40 DGAB C[C@H](COc1cccc(F)c1)NC(=O)c1ccncc1Cl 95405197 YAEFAHWMULYBSF-SNVBAGLBSA-N 308.740 3.071 0 40 DGAB COc1ccc2cccc(NC(=O)Cc3cccc(O)c3)c2n1 95454153 JOKLQVAEPXOVEA-UHFFFAOYSA-N 308.337 3.130 0 40 DGAB COC(=O)c1ccc(SCc2nnc(C3CCC3)n2C)cc1 96008299 MPVYDQSEHCSDNJ-UHFFFAOYSA-N 317.414 3.162 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)N[C@@H](CCO)C2CC2)c1 96421956 XVYARHHXEFFTQI-NHYWBVRUSA-N 308.447 3.393 0 40 DGAB CC(=O)Nc1cccc(NCC(=O)N(C)CC2CCCCC2)c1 96427399 YFVXGVARRFKSOG-UHFFFAOYSA-N 317.433 3.096 0 40 DGAB CCOc1cc(NC(=O)NCc2ncc(C)s2)ccc1C 96434572 MVNDLDSQVQENLS-UHFFFAOYSA-N 305.403 3.480 0 40 DGAB CCN(Cc1nccn1C(F)F)C[C@@H](O)c1ccc(C)cc1 96441671 WWPYVWOYEBUFMY-CQSZACIVSA-N 309.360 3.142 0 40 DGAB Cc1ncsc1C(=O)O[C@@H](C)c1nc2ccccc2n1C 96444918 FRQMOMGGQXENKY-JTQLQIEISA-N 301.371 3.256 0 40 DGAB Cc1nscc1C(=O)Nc1ccnn1Cc1ccsc1 97080384 YUWCHERVJSRIRY-UHFFFAOYSA-N 304.400 3.010 0 40 DGAB c1ccc(NC[C@@H]2CCN(c3ncnc4ccsc34)C2)nc1 97200875 MYXXLAKJSODCOY-LBPRGKRZSA-N 311.414 3.025 0 40 DGAB O=C(C1CC=CC1)N1CCC(O)(c2ccccc2Cl)CC1 192404956 JKQVNJZTUGTMQU-UHFFFAOYSA-N 305.805 3.116 0 40 DGAB COc1cc(SC)ccc1NC(=O)Cc1ccc(C)nc1 192703127 XDJPRGBGRPZRBQ-UHFFFAOYSA-N 302.399 3.302 0 40 DGAB O[C@@H](CNC1c2ccccc2-c2ccccc21)c1ccncc1 195555541 QBUMOPRDJHUKBV-IBGZPJMESA-N 302.377 3.475 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)N=C3S[C@@H](C)CN32)n1C 222601235 XZLCIGDEYJODPA-VBNZEHGJSA-N 312.442 3.318 0 40 DGAB CCCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CC 223700408 WRUDMNJXUAQIKH-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)nc(C)n3C)cc1 225893394 YEVOMPDHQSLXOT-LBPRGKRZSA-N 323.396 3.381 0 40 DGAB COc1ccc(C[C@@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 228907743 NBBLEHPXXAJVGK-CQSZACIVSA-N 319.401 3.064 0 40 DGAB c1ccc(CO[C@H]2CN(Cc3ccccn3)C[C@@]23CCCO3)cc1 257247885 JAZUGMLHTLPJJO-PMACEKPBSA-N 324.424 3.032 0 40 DGAB C[C@@H]1CCC[C@@H](O)CCCC=Cc2cc(O)cc(O)c2C(=O)O1 271773757 FPQFYIAXQDXNOR-OCCSQVGLSA-N 320.385 3.371 0 40 DGAB biogenic,in-vitro O=C(N[C@@H]1C[C@@H]1Cc1ccccc1)c1cc(O)nc(C2CC2)c1 547780762 HDWCXRXENIPZAC-WMLDXEAASA-N 308.381 3.026 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CC(n2cnc3ccccc32)C1 1775973456 RITPWSCRWMXJOG-UHFFFAOYSA-N 311.772 3.387 0 40 DGAB c1cc(OC[C@@H]2CCCN(c3cc(C4CCC4)ncn3)C2)ccn1 1776001252 HVYOELMKALSQIO-OAHLLOKOSA-N 324.428 3.435 0 40 DGAB Cc1ccc(C)c(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1 2087051404 XUYQJXDHALVAKL-UHFFFAOYSA-N 312.413 3.196 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2nc3ccccc3o2)C1 2087140304 ATISWRLTVOJSQJ-ZDUSSCGKSA-N 315.417 3.301 0 40 DGAB COCC(=O)Nc1sc(C)c(-c2ccccc2)c1C(=O)OC 151927 FUAAGYSIVNFVDH-UHFFFAOYSA-N 319.382 3.095 0 40 DGAB CCOC(=O)Cn1c(-c2ccc(C)cc2)[n+](C)c2ccccc21 388791 TZOIAWRZJIJHTJ-UHFFFAOYSA-N 309.389 3.004 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)C(=O)N(c1nc3c(s1)CCCC3)C2=O 2190050 GIDXMEFKYLCZSF-QGHHPUGFSA-N 318.442 3.338 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)NCCOc1ccccc1 3129661 VMUYQQWTVRZBPE-UHFFFAOYSA-N 322.364 3.459 0 40 DGAB O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1C[C@@H]1CCCO1 4506481 NWYBWHALXDIVAN-HNNXBMFYSA-N 323.348 3.254 0 40 DGAB CCc1ccc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)cc1 5027298 KXGYRLTWGQHTPV-GOSISDBHSA-N 324.405 3.134 0 40 DGAB CC(C)(C)C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 5169726 ZNPATRVZLFSPLC-UHFFFAOYSA-N 324.178 3.484 0 40 DGAB CSc1ccc(Cl)c(C(=O)NCCc2ccccn2)c1 5688441 ZOHPQLSWBZDPHT-UHFFFAOYSA-N 306.818 3.429 0 40 DGAB C[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccc(F)cc1 7878515 KSOYWSOWHAUVPJ-GFCCVEGCSA-N 318.417 3.123 0 40 DGAB O=S(=O)(N[C@@H]1CCSc2ccccc21)c1ccccc1 8395363 SBVZLOZDECNZBC-CQSZACIVSA-N 305.424 3.202 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1cn2ccsc2n1 8778619 NBWXQTRBODBRQQ-SNVBAGLBSA-N 317.439 3.146 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OC)cc1F 8849023 NQFSORKKZQKTFF-UHFFFAOYSA-N 317.316 3.263 0 40 DGAB CC(=O)N1N=C(c2ccccc2)C[C@@H]1c1nc2ccccc2[nH]1 9378253 TTWKEPSURNIKIE-QGZVFWFLSA-N 304.353 3.261 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccc(F)cc2)c1 9503072 NROSFMYAFTVYMK-CYBMUJFWSA-N 316.376 3.293 0 40 DGAB COc1cccc(C(=O)OCc2cc(=O)oc3cc(C)ccc23)c1 9503215 XYLAODXEAWEIMV-UHFFFAOYSA-N 324.332 3.467 0 40 DGAB Cc1ccc(SCCNC(=O)Cc2c(C)noc2C)cc1 9691779 COCNHURUJWMBIA-UHFFFAOYSA-N 304.415 3.051 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2C)c1 10277498 MOIBBDCIANKLQA-DCGLDWPTSA-N 302.418 3.385 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1ccc(Cl)cc1)c1ccco1 10328221 AQNVSMVLRVYLQY-ZDUSSCGKSA-N 307.781 3.357 0 40 DGAB Cc1cc(S[C@@H](C)C(=O)Nc2ccc(F)cc2)nc(C)n1 12016799 NNWOEFRXDMCBTE-JTQLQIEISA-N 305.378 3.352 0 40 DGAB Cc1nc[nH]c1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 12116778 FWXVVKFWDQZJNG-INIZCTEOSA-N 303.381 3.038 0 40 DGAB C[C@@H](O)c1nc2ccccc2n1CCOc1ccccc1F 12810711 XQGTWEWAMHBREY-GFCCVEGCSA-N 300.333 3.308 0 40 DGAB O=C(OCc1cc(-c2ccccc2)no1)c1ccc(CO)cc1 12811279 MQZDPVRLVKJEAK-UHFFFAOYSA-N 309.321 3.191 0 40 DGAB CC[C@H](C)[C@H](NC(=O)N[C@H](C)CCCC(C)C)C(=O)OC 13574260 VNSUOBYJAXLNLM-MJBXVCDLSA-N 300.443 3.088 0 40 DGAB O=C1N/C(=C\c2ccc(F)cc2)C(=O)N1Cc1ccccc1F 15012225 YGZPLBMEFHDYDM-DHDCSXOGSA-N 314.291 3.058 0 40 DGAB CCc1cc(C(=O)Nc2ccccc2CN2CCCCC2)no1 19522688 KMSVIIAFFYCWFL-UHFFFAOYSA-N 313.401 3.475 0 40 DGAB Cc1ccc(C(N)=O)c(OCc2coc(-c3ccccc3)n2)c1 22194423 BDSOBNSLXSZTGF-UHFFFAOYSA-N 308.337 3.328 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2cccn2)c(Br)c1 24755121 MBSFLMQNHAYGQG-JTQLQIEISA-N 308.179 3.154 0 40 DGAB COCCNC(=O)c1csc(-c2ccc(C(C)C)cc2)n1 24831085 PDMFZFIJYATVKX-UHFFFAOYSA-N 304.415 3.310 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCOc1ccccc1 25646441 GZDFMZAAIFJLMG-CYBMUJFWSA-N 319.788 3.303 0 40 DGAB COc1ccccc1-n1c(S)nnc1COc1ccccc1 26439397 YWNZADGVWHUCES-UHFFFAOYSA-N 313.382 3.144 0 40 DGAB NC(=O)[C@@H](Nc1ccccc1)c1ccc(Br)cc1 26895908 FBZPZFVANIAGGG-ZDUSSCGKSA-N 305.175 3.088 0 40 DGAB Cc1nc2ccccc2nc1S[C@@H](C(N)=O)c1ccccc1 28191713 MBQQIRGGCBITBP-OAHLLOKOSA-N 309.394 3.257 0 40 DGAB CCNC(=O)CSc1nc2cc(Cl)cc(Cl)c2[nH]1 32691684 HAKRMFKWYRMSLY-UHFFFAOYSA-N 304.202 3.098 0 40 DGAB COc1ccccc1/C=C(/C(N)=O)c1nc2ccccc2s1 33368954 PCXCOHNWZQDAAF-BENRWUELSA-N 310.378 3.331 0 40 DGAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cccc(Cl)c2)C1 40157092 LNOJYOFPDPDUKQ-GFCCVEGCSA-N 308.809 3.317 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccc(Cl)nc1 40411894 LWLSORMGPPUGOR-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)[C@@H]1CC=CCC1 42051767 VWQHTAYRGIGAAS-OAHLLOKOSA-N 301.386 3.163 0 40 DGAB O=C1C[C@@H](c2noc(-c3ccccc3)n2)CN1c1ccc(F)cc1 44420075 RRNRIDUDRRBEBV-CYBMUJFWSA-N 323.327 3.396 0 40 DGAB CC[C@H](C(=O)Nc1cc(-n2cnnn2)ccc1C)c1ccccc1 44600306 VSSDJWKBYUAZGF-INIZCTEOSA-N 321.384 3.103 0 40 DGAB CCCCc1noc([C@H]2CCCCN2C(=O)c2ccco2)n1 46087214 RXPREMMHKQMFMQ-GFCCVEGCSA-N 303.362 3.373 0 40 DGAB Fc1ccccc1-c1nnc([C@H]2CCN(Cc3cccnc3)C2)o1 49170564 FLAMIBLDDNGEEZ-AWEZNQCLSA-N 324.359 3.260 0 40 DGAB biogenic,in-vitro O=C(Nc1ccc2c3c(cccc13)CC2)N1CCC(CO)CC1 56741145 JODRCCRPIPBOAV-UHFFFAOYSA-N 310.397 3.175 0 40 DGAB COc1ccccc1[C@@H](C)N[C@@H](C)C(=O)N1CCc2ccccc21 57421374 XULYQYLHFKCNJN-CABCVRRESA-N 324.424 3.324 0 40 DGAB c1nc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)cs1 57598604 SIWHAIDLXHOABK-CQSZACIVSA-N 302.399 3.251 0 40 DGAB Oc1ccccc1N1CCN(Cc2cccc(Cl)c2)CC1 57617185 DBMKPGVZHJVPRP-UHFFFAOYSA-N 302.805 3.368 0 40 DGAB CCC[C@@H](C)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 58151581 SDDQPMGRJGJXAC-CYBMUJFWSA-N 312.454 3.328 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2ccc3cc[nH]c3c2)CC1 58307382 FMOGYZJWCPYLNW-UHFFFAOYSA-N 313.445 3.362 0 40 DGAB CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(-c2ccccc2)c[nH]1 65554074 AENRFYBNXVIGJO-CABCVRRESA-N 313.401 3.213 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@@H](n4cccn4)C3)oc12 65608129 VYUULPCRRIOWJV-OAHLLOKOSA-N 309.369 3.415 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2cccc(C)c2)cc1 67197808 AJROSHSMYGIBOW-HNNXBMFYSA-N 311.381 3.338 0 40 DGAB CCN(CC)C(=O)CN(C)c1ccnc2cc(Cl)ccc12 67948606 ATWCKRZBMKYOEV-UHFFFAOYSA-N 305.809 3.193 0 40 DGAB O=C(Nc1cccc2c1CCCC2)c1cc2c([nH]c1=O)CCCC2 68072180 CZTCZYCXCZYUNM-UHFFFAOYSA-N 322.408 3.385 0 40 DGAB CNC(=O)CCc1nc(C)c(-c2ccc(Br)cc2)o1 69563965 HPIFFVHJXCXGCZ-UHFFFAOYSA-N 323.190 3.091 0 40 DGAB CCO[C@@H]1CCCN(C(=O)Nc2ccc3c(c2)N(CC)CC3)C1 71795670 OGPWTWRDMFCFMO-MRXNPFEDSA-N 317.433 3.102 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(Cl)s1 71880530 BXQRPXPJNARZBR-KBPBESRZSA-N 312.866 3.377 0 40 DGAB CCOc1cc(C(=O)N2CCCC[C@@H]2C)nn1-c1ccccc1 72264710 OOJMVAKUPHVTHA-AWEZNQCLSA-N 313.401 3.286 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)c3ccncc3)C2)n1 72282207 BYUDCBULWHQNRM-ZDUSSCGKSA-N 301.415 3.120 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)c1nc(C(C)(C)C)no1 72299745 RHLXREACPNOSPB-WCQYABFASA-N 317.437 3.312 0 40 DGAB CCOc1ccc(CNC(=O)c2ccc(OC)c(F)c2)cc1 72331698 ALQOQHJBOQXPSZ-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB c1ccc(CN2CCC[C@H](c3nccnc3-n3ccnc3)C2)cc1 72350480 MRHFAKLTJFBQAJ-KRWDZBQOSA-N 319.412 3.042 0 40 DGAB CC(=O)N1CCC[C@H]1c1cccc(Nc2nc(C)cs2)n1 72375125 OUVIXTDLJOYMRM-ZDUSSCGKSA-N 302.403 3.274 0 40 DGAB COc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)cc1OC 72396085 WMMILGGHKXYKHJ-UHFFFAOYSA-N 324.380 3.466 0 40 DGAB COc1cccc(S(=O)(=O)Nc2cccc3cccnc23)c1 74934554 ISMOOZIGPNEZLA-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB O=C(NC[C@@](O)(c1ccco1)C1CC1)c1cc2ccccc2o1 75154882 WHBMFOHNBKGYKR-SFHVURJKSA-N 311.337 3.053 0 40 DGAB CCSc1ccccc1C(=O)NC[C@](C)(O)c1cccs1 75155877 BXEAAJHEFSGLRV-INIZCTEOSA-N 321.467 3.498 0 40 DGAB CCCCc1noc([C@H](C)N[C@@H]2CCCc3c2cnn3CC)n1 76047052 DBAKDGRZWHNNNV-GXTWGEPZSA-N 317.437 3.357 0 40 DGAB Cc1cc(SC(C)(C)C)ccc1NC(=O)NCC(=O)N(C)C 78394991 FHLUCDSTPWOTQJ-UHFFFAOYSA-N 323.462 3.095 0 40 DGAB Cc1nn(-c2ccccc2)cc1CNC[C@@H](c1ccco1)N(C)C 78420173 BMTLIYNXEYKVDN-SFHVURJKSA-N 324.428 3.166 0 40 DGAB COc1cccc([C@@H](C)CC(=O)N2CC[C@@H](CSC)C2)c1 84606172 XBMTZBYNMDDAAW-UONOGXRCSA-N 307.459 3.400 0 40 DGAB O=C1CCc2ccc(NC(=O)N3CCC[C@@H]4CCC[C@H]43)cc2N1 86299672 IWYLIPYHHBAVCK-XJKSGUPXSA-N 313.401 3.368 0 40 DGAB C[C@H]1CN(Cc2cccc(NCc3cscn3)c2)C[C@H](C)O1 89936705 NJUFFMOQJLMUHR-KBPBESRZSA-N 317.458 3.364 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC[C@]2(O)CCc3ccccc32)c1 90780104 DOGDSMWIVWTNCD-VBKZILBWSA-N 324.424 3.130 0 40 DGAB C/C=C/C[S@@](=O)Cc1ccc(I)cc1 91517352 DOPSKMRPYDLOAT-HSWBROFVSA-N 320.195 3.116 0 40 DGAB CCn1cc(CN(C)C2CCN(c3ccc(F)cc3)CC2)cn1 92762728 ZVUSRIXHJPJGRN-UHFFFAOYSA-N 316.424 3.143 0 40 DGAB C[C@H](O)C(=O)Nc1ccc(NCc2ccccc2)c(Cl)c1 95979947 UIUWLKNMIYNTRT-NSHDSACASA-N 304.777 3.271 0 40 DGAB COc1ccc(CCCN2CC[C@@H]3OCCC[C@@H]3C2)cc1F 96013601 ORNBZGBFJCSXLM-WBVHZDCISA-N 307.409 3.268 0 40 DGAB O=C(CCn1ncc2ccc(Cl)cc21)N1CCCCCC1 96181999 ZGIFXZVCRCUAJM-UHFFFAOYSA-N 305.809 3.482 0 40 DGAB CCN(CC)[C@H]1CCO[C@]2(CCN(Cc3ccc(F)cc3)C2)C1 96218325 DWEYLOLCPVYPDA-RBUKOAKNSA-N 320.452 3.291 0 40 DGAB CN(CCO)C(=O)Nc1cc(F)ccc1Oc1ccccc1 96411840 NMGVUYILFNQABM-UHFFFAOYSA-N 304.321 3.074 0 40 DGAB Cc1ccc(C)c(S[C@H]2CCN(C3CCOCC3)C2=O)c1 96447675 ZCDWHRWDVDPELJ-HNNXBMFYSA-N 305.443 3.175 0 40 DGAB Cc1ccnc([C@H](NC(=O)Nc2ccc(F)cc2F)C2CC2)n1 96502800 HZQSUERWNRSRKH-CQSZACIVSA-N 318.327 3.336 0 40 DGAB CC(C)n1ncc2ccc(NC(=O)C3(N)CCCCC3)cc21 97019118 HNSOVPNCHHAAHO-UHFFFAOYSA-N 300.406 3.217 0 40 DGAB CC[C@@](C)(CC(=O)O)NC(=O)[C@@H](C)c1cc2ccccc2o1 97035680 OHIZMPYOYNXMHC-GTNSWQLSSA-N 303.358 3.296 0 40 DGAB Cc1csc([C@H](C)CNC(=O)Nc2cnc(C3CC3)nc2)n1 97113237 GSDFKNGTOMEUAM-SECBINFHSA-N 317.418 3.044 0 40 DGAB c1ccc(Oc2ncccc2-c2noc(Cn3ccnc3)n2)cc1 97164392 RUNYKJJFXCIOIP-UHFFFAOYSA-N 319.324 3.169 0 40 DGAB c1cnc2c(CN3CCO[C@H](c4nccs4)C3)cccc2c1 97199805 IZDHUZXENATWPP-HNNXBMFYSA-N 311.410 3.265 0 40 DGAB CCn1cc(C2CCN(c3ncnc4ccccc34)CC2)cn1 97202390 KEGPLVBRXRABSU-UHFFFAOYSA-N 307.401 3.230 0 40 DGAB CCCNC(=O)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100872775 WLAMJXDZSGSEPW-IENTYSSBSA-N 300.240 3.247 0 40 DGAB O=C(C1CCOCC1)N1CCCC[C@H](c2ccc(F)cc2)C1 206874438 TVKCWHOPVXSDCU-INIZCTEOSA-N 305.393 3.348 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](CC)C(=O)NC(C)C 222602937 BEHMTDQIKPJSEA-OAHLLOKOSA-N 324.852 3.382 0 40 DGAB C1=CO[C@H](CN(CCOc2ccccc2)C2CCOCC2)CC1 225585542 GITMGTZOSCLKOB-IBGZPJMESA-N 317.429 3.239 0 40 DGAB CCCCCNC(=O)c1snnc1-c1cccc(OC)c1 225767752 BCRDBHOVUITXKC-UHFFFAOYSA-N 305.403 3.134 0 40 DGAB CCCO[C@@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@@H](C)C1 225910459 LZTAEPBTRZMOKE-DYVFJYSZSA-N 306.406 3.404 0 40 DGAB O=C(NCc1ccncc1)c1ccc2sc(Cl)nc2c1 225977007 MUAGEJDUTDNFOP-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB COc1ccc(-c2cnn(CCCC(=O)NCC(C)C)c2)cc1 227166080 AFPGUSCOGLMQAK-UHFFFAOYSA-N 315.417 3.111 0 40 DGAB C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2[nH]ncc2c1 253369351 BKHNRUYZQFZMMY-KBXCAEBGSA-N 321.428 3.280 0 40 DGAB CN1CCC(Cc2cccc(-c3ccc(C(=O)O)cc3)n2)CC1 257341500 ZKOSSWQNNCECLP-UHFFFAOYSA-N 310.397 3.331 0 40 DGAB CCN(CC)C(=O)C[C@@H]1CC2(CCNCC2)c2ccccc21 306126504 DXYXWGQRMXXEKY-OAHLLOKOSA-N 300.446 3.054 0 40 DGAB O=C(c1ccc(OC(F)F)cc1)C(F)(F)Br 309329424 SBZHBGMUPAEKQT-UHFFFAOYSA-N 301.033 3.458 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)COc1cccc2ccccc12 408568700 WEIYOZIJLCAACA-UHFFFAOYSA-N 322.364 3.220 0 40 DGAB Cc1ccc(-c2cncc(F)c2)cc1NC(=O)c1cncn1C 517782954 CMLUDLPFIBBYFP-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB CC(C)c1nnc(N(C)Cc2ccc3c(c2)OCCO3)s1 533205212 VVWHNSSSCJHYJL-UHFFFAOYSA-N 305.403 3.069 0 40 DGAB Cc1cnc(NC(=O)NCc2cncc(-c3ccco3)c2)s1 585404845 VOOAFDMWPAEENZ-UHFFFAOYSA-N 314.370 3.428 0 40 DGAB O=C(c1cscn1)N1CCC(c2ccc3cccnc3n2)CC1 655266418 HBMNEXWBKQXSHO-UHFFFAOYSA-N 324.409 3.106 0 40 DGAB CC(C)c1cc(NC(=O)Nc2cccc(CC(=O)O)c2)no1 669500394 HONICHHLGTWWPA-UHFFFAOYSA-N 303.318 3.069 0 40 DGAB O[C@H]1CCCN(Cc2ccc(Cl)cn2)[C@H]1Cc1ccccc1 1615190059 FPXUYDBNXUASES-ROUUACIJSA-N 316.832 3.303 0 40 DGAB Cn1c(N2CCC(Cc3ccccc3)CC2)nc2cccnc21 1888906583 YLOSGONHJDXNDD-UHFFFAOYSA-N 306.413 3.427 0 40 DGAB O=C(C=C1CCCCC1)N[C@H](Cn1cncn1)c1ccccc1 69919826 JDEHSCMZFVSJLJ-QGZVFWFLSA-N 310.401 3.026 0 40 DGAB O=C(C[C@@H]1CCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 76041226 LNAOLYWVFKUEKH-ZDUSSCGKSA-N 319.298 3.286 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)c2ccc(F)c(F)c2)c1 33131925 OHRVSDSMTXFDOD-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB O=C(c1ccccc1)[C@@](O)(Cc1ccccn1)c1ccccc1 1706787 ABSVXYFYZVAKMF-HXUWFJFHSA-N 303.361 3.395 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)CCc2c(C)nn(C)c2C)C1 78935212 GCBUEZJESSSYDJ-CABCVRRESA-N 323.506 3.102 0 40 DGAB C[C@H](c1ccccc1F)n1cc(C(=O)NC2CCCCC2)nn1 4985817 FIWTWYJFIOAKAC-GFCCVEGCSA-N 316.380 3.089 0 40 DGAB Cc1cccc(N2CCN(c3cc[nH]c(=S)n3)CC2)c1C 57322400 VDLULAYCRYRNOC-UHFFFAOYSA-N 300.431 3.083 0 40 DGAB COc1ccc(C)cc1NCC(=O)N[C@@H](C)c1cccs1 24217106 XLARWQDADTXTOK-LBPRGKRZSA-N 304.415 3.354 0 40 DGAB Cc1occc1C(=O)Nc1ccccc1NC(=O)N1CCCC1 47515254 TVXSMWZYIJONDC-UHFFFAOYSA-N 313.357 3.468 0 40 DGAB Cc1nc(C2(NC(=O)C=C(C3CC3)C3CC3)CCCC2)no1 55111975 XRWDIZCIWMZZDB-UHFFFAOYSA-N 301.390 3.010 0 40 DGAB c1ccc2c(c1)OCC[C@H]2NCc1ccc(-n2ccnc2)cc1 25357545 QLENFUGIZUSWJZ-GOSISDBHSA-N 305.381 3.486 0 40 DGAB Cc1ccccc1/C=C/C(=O)NCc1nc2ccccc2n1C 12547397 ROWDHUKIOMZSCT-VAWYXSNFSA-N 305.381 3.211 0 40 DGAB COc1ccc(OC)c(NC(=S)NC(=O)C2CCCCC2)c1 3244983 JJNPLXHKQGYXDB-UHFFFAOYSA-N 322.430 3.097 0 40 DGAB COC(=O)c1ccc(NC(=O)Nc2ccc(OC)cc2C)cc1 51355868 XSSINZUNQQQMOH-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB CC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@H]2c2ccncc2)N1 8742752 ISJDOVDEEAJOEH-INIZCTEOSA-N 323.787 3.425 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)cc1 58196773 ZCXHBQXUHMGREG-KRWDZBQOSA-N 322.364 3.421 0 40 DGAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1cccc2ccccc12 58296381 SIVHCJXOISTWKQ-HUUCEWRRSA-N 306.413 3.429 0 40 DGAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 53388111 PEASXPBVJCODEO-YJYMSZOUSA-N 323.392 3.193 0 40 DGAB CCCC[C@H](CCC(=O)Nc1ccc(C(=O)OC)cc1)C(=O)O 2374322 CKUKJMNWXKDDRG-GFCCVEGCSA-N 321.373 3.083 0 40 DGAB CC(C)N1CCN(C(=O)c2csc(-c3ccsc3)n2)CC1 45522218 NBQMRYGIYOGZST-UHFFFAOYSA-N 321.471 3.038 0 40 DGAB CCCCOc1ccc(S(=O)(=O)n2ccnc2)cc1C(C)C 11566004 SMJNUCGTOUZREL-UHFFFAOYSA-N 322.430 3.422 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCc2[nH]c3ccc(F)cc3c2C1 46359415 FEQSKHKKWRSGPW-CYBMUJFWSA-N 316.376 3.151 0 40 DGAB COc1cc(CNCc2ccc(-n3ccnc3)cc2)cc(OC)c1 48747410 NWIHXSYUMNVYFM-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB O=C(O)COc1cccc(NC(=O)CCC2CCCCC2)c1 8906247 IXSDHSVHDZRVKW-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB Cc1cc2oc(=O)cc(COC(=O)c3ccccn3)c2cc1C 5060330 WABWOFSYFMOQBO-UHFFFAOYSA-N 309.321 3.162 0 40 DGAB Cc1ccc(N[C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)cc1 9118564 BWDABVLPSMJSCP-ZDUSSCGKSA-N 312.369 3.205 0 40 DGAB CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccccc1C 6303092 URVHFBDPRRPJAG-UHFFFAOYSA-N 324.405 3.375 0 40 DGAB O=C(NCCCc1nc2c(s1)CCCC2)Nc1ccccn1 65594417 KSPCDJQENDSWAR-UHFFFAOYSA-N 316.430 3.171 0 40 DGAB O=C(Nc1cccc(Cl)c1SC(F)F)[C@@H]1COCCO1 65603488 VPORNGYCTPKUMA-VIFPVBQESA-N 323.748 3.009 0 40 DGAB COC[C@@H](C)Nc1nc2c(Cl)c(C)nn2c2ccccc12 14245864 SNAOLWLWVVSDNL-SECBINFHSA-N 304.781 3.291 0 40 DGAB CC[C@@H](C)n1nc(O)c2c1NC(=O)CS[C@@H]2c1ccccc1 5686570 IEVYUPROKYLJOR-QMTHXVAHSA-N 317.414 3.334 0 40 DGAB CCN(CC)C(=O)[C@H](SCCCN(C)C)c1ccccc1 96010334 VGQZEETUWUCKKN-MRXNPFEDSA-N 308.491 3.281 0 40 DGAB CC(C)Sc1nc2cc(-c3ccccc3)sc2c(=O)n1N 19797135 QGRPGVRZPFVYTM-UHFFFAOYSA-N 317.439 3.339 0 40 DGAB CC[C@H](O)CN(Cc1ccccc1)Cc1cccc2c1OCO2 93687907 KJYUOSXWVRUSEG-KRWDZBQOSA-N 313.397 3.188 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccccn1 8009504 VSJAZVFYKZXISG-UHFFFAOYSA-N 320.396 3.156 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(F)cc(F)c1 9654135 QFHHRHCOBNFPBI-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB CC[C@](C)(NC(=O)c1ccc(C(=O)O)s1)c1nc(C)cs1 96479832 KYZLIMFOZZOWQV-AWEZNQCLSA-N 324.427 3.266 0 40 DGAB Cc1cccc2[nH]cc(CCNC(=O)N[C@H](C)c3ccncc3)c12 69622177 KQDPDYAONFSVTG-CQSZACIVSA-N 322.412 3.474 0 40 DGAB C[C@H](c1ccncc1)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12 69774587 DUPGQXJZBLAAIN-GFCCVEGCSA-N 311.360 3.464 0 40 DGAB Cc1c(NC(=O)C[C@H]2CCc3ccccc3C2)cccc1C(N)=O 71899345 IRTCLTWGNMPGHV-AWEZNQCLSA-N 322.408 3.228 0 40 DGAB CCC(CC)NC(=O)[C@H]1CCc2[nH]nc(-c3ccccc3)c2C1 306129015 HRMZCZWSKJDNSO-AWEZNQCLSA-N 311.429 3.486 0 40 DGAB FC(F)(F)c1ccc(-c2noc(CC3CCNCC3)n2)cc1 72328583 ZRTQLQAUYJJJAB-UHFFFAOYSA-N 311.307 3.298 0 40 DGAB Cc1cnn(C2CN(Cc3csc(-c4ccsc4)n3)C2)c1 72253857 KEMXOJLJRZFXQW-UHFFFAOYSA-N 316.455 3.433 0 40 DGAB COc1ccc2[nH]cc(CC(=O)Nc3c(O)cccc3F)c2c1 72304100 GWAPHCMUXIJPKO-UHFFFAOYSA-N 314.316 3.202 0 40 DGAB Nn1c(S[C@H]2CCCc3ccccc32)nnc1C(F)(F)F 84581931 OPIXZFZKNYHDFX-JTQLQIEISA-N 314.336 3.180 0 40 DGAB O=C(c1ccc([C@H]2CCCNC2)cc1)N1Cc2ccccc2C1 95364298 CAHKLENBLLKQCQ-KRWDZBQOSA-N 306.409 3.310 0 40 DGAB CC(C)(C)SCCCC(=O)N1CCC[C@@H](c2cn[nH]c2)C1 95436015 BOJWNTFCIXZBGX-CYBMUJFWSA-N 309.479 3.428 0 40 DGAB CCCn1cc(N[C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)cn1 95991566 ZNSVAWGLDMOKOZ-OLZOCXBDSA-N 310.442 3.397 0 40 DGAB C[C@H](C(=O)N1CCCN1C(=O)OC(C)(C)C)c1cccs1 95977906 QVBNOQWLJQAFGM-NSHDSACASA-N 310.419 3.236 0 40 DGAB Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)c2ccccc2n1 89583164 QPKVIKYGULQWMM-INIZCTEOSA-N 313.445 3.312 0 40 DGAB COC(=O)[C@H](C)CC(=O)N(c1ccc(C)cn1)C1CCCCC1 89652287 PURTXAHJJPEHIL-CQSZACIVSA-N 318.417 3.255 0 40 DGAB c1ccc2[nH]c([C@@H]3CCCN3c3ccc4nccnc4n3)nc2c1 89866479 NZWSARKQYBFBIS-HNNXBMFYSA-N 316.368 3.243 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)nc1 75693838 SSTQNEMTVIVTCK-HNNXBMFYSA-N 301.434 3.477 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(F)cc2)cc1 67197458 MRBRFMHZLVLGTM-ZDUSSCGKSA-N 315.344 3.168 0 40 DGAB Cc1cc(N2CCCC2)nc2sc3c(S)ncnc3c12 71283653 SXEGPQYPRNRFGW-UHFFFAOYSA-N 302.428 3.437 0 40 DGAB COC(=O)Nc1ccccc1C(=O)N1CCc2ccc(F)cc21 79044853 BWIVFCZGEJSQJD-UHFFFAOYSA-N 314.316 3.207 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3coc(C)n3)C2)c1 72368584 WYIZVVWJZDPFNG-OAHLLOKOSA-N 314.385 3.223 0 40 DGAB Fc1ccc(-c2nnc3sc(-c4ccncc4)nn23)cc1F 40286705 LVWFCCBAEVDIBG-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB COc1ccc(OCCNC(=O)CCc2ccc(C)cc2)cc1 75241454 WAVRALUAGCCKKT-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccc(CCC(=O)NCCSC2CCCC2)cc1 46450670 JRNITWLTYLBMHX-UHFFFAOYSA-N 307.459 3.420 0 40 DGAB CN(C)c1cccc(C(=O)NCc2cccnc2-c2ccco2)c1 225659716 KFKWLKQNOQERIH-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB CC[C@H](Nc1cccc(NC(=O)c2ccccc2)c1)C(=O)OC 192835241 NVZCCRIFJJIRLY-INIZCTEOSA-N 312.369 3.302 0 40 DGAB Cc1ccc(-c2ncco2)cc1NC(=O)N[C@H](CO)C(C)(C)C 97237266 TWYAEVZKPZDFRY-CQSZACIVSA-N 317.389 3.179 0 40 DGAB CCOC[C@H]1COCCC12CCN(Cc1ccc(C)o1)CC2 96106391 IFBLKSFDZPVANI-INIZCTEOSA-N 307.434 3.243 0 40 DGAB c1ccc(Oc2ccc(CN[C@H]3CCCn4ncnc43)o2)cc1 97236049 JHKWVEZDJHXHOA-HNNXBMFYSA-N 310.357 3.288 0 40 DGAB CC(C)n1cnc(S(=O)(=O)N(c2ccccc2)C2(C)CC2)c1 585128880 PWMJVNZXYJDJSW-UHFFFAOYSA-N 319.430 3.212 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CC(=O)Nc1ccccc12 91302976 XTVBQGVXBZFUSA-UHFFFAOYSA-N 316.401 3.298 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)c2sccc2C)C1 257335715 YLNOPQNPQBSKKB-ZDUSSCGKSA-N 303.431 3.183 0 40 DGAB Cc1ccccc1C(=O)N1CC(Cc2nccc3ccn(C)c23)C1 257264690 LVQNRJWDWBBKFX-UHFFFAOYSA-N 319.408 3.196 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)n1cc(-c2ccccc2)cn1 257173195 GJDOMXZKIWQDEY-AWEZNQCLSA-N 323.400 3.100 0 40 DGAB Cn1nc2c(c1/C=C/c1nc3c(C(=O)O)cccc3o1)CCCC2 630951034 UDAYOAMAXXVFNW-MDZDMXLPSA-N 323.352 3.309 0 40 DGAB COc1cccc([C@H](CNC(=O)c2ccccc2Cl)OC)c1 96389803 OZKHFNQNKRVQQU-INIZCTEOSA-N 319.788 3.466 0 40 DGAB Cc1ccc(-c2cc(Cn3nc(-c4ccco4)oc3=O)on2)cc1 390833598 JXZCIEOVDVVIBL-UHFFFAOYSA-N 323.308 3.108 0 40 DGAB Cc1noc(C)c1C(=O)N1CC[C@H](n2c(C)nc3ccccc32)C1 575414718 XIBSLZGXOGEZLY-AWEZNQCLSA-N 324.384 3.037 0 40 DGAB Fc1ccc(Sc2ccc(CN3CCOCC3)cn2)cc1 32826066 IWFLFYHQIJQKDZ-UHFFFAOYSA-N 304.390 3.204 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)N[C@H](C)Cn1ccnc1 48247918 ZFJQHVKMFJQIGD-CQSZACIVSA-N 320.396 3.072 0 40 DGAB C[C@@H](c1ccncc1)N1CCC(NC2Cc3ccccc3C2)CC1 90667231 SLICLXGGXUTWMH-INIZCTEOSA-N 321.468 3.364 0 40 DGAB Cc1cc(N(C)Cc2ccc3c(c2)OCCO3)nc(C2CC2)n1 576896570 GYEDIJVLZYOACB-UHFFFAOYSA-N 311.385 3.070 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)CC1CCCC1 12811104 MSEHJXNNZDZQAG-GFCCVEGCSA-N 305.374 3.146 0 40 DGAB O=P(O)(O)[C@H](NCc1cccc(Cl)c1)c1ccsc1 12997469 VBDSMMPJIRLTBM-LBPRGKRZSA-N 317.734 3.368 0 40 DGAB COc1ccc(Cl)cc1Nc1c(C)c(C)nc2ncnn12 15786653 BESRARIEXNQOKX-UHFFFAOYSA-N 303.753 3.147 0 40 DGAB Cc1ccc(NC(=O)C[C@H]2Nc3ccccc3OC2=O)c(C)c1 17032098 OOODHVYLGDPCMX-OAHLLOKOSA-N 310.353 3.032 0 40 DGAB COc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19359697 VACDMCFOADTCIC-SCTDSRPQSA-N 300.446 3.001 0 40 DGAB CN1CCC(CCNC(=O)c2ccc(C(C)(C)C)cc2)CC1 156318065 JQXFGFTUJZMEAN-UHFFFAOYSA-N 302.462 3.446 0 40 DGAB O=C(c1cc(Cl)ccc1O)N1CCC[C@H](C(F)(F)F)C1 24183668 YILOXJPPMCMGJB-QMMMGPOBSA-N 307.699 3.460 0 40 DGAB COCCSCC(=O)Nc1ccc(Br)c(C)c1 32779151 ORVSNRNVLNQJNN-UHFFFAOYSA-N 318.236 3.076 0 40 DGAB Cn1/c(=N/C(=O)c2cccc(F)c2)sc2cccc(F)c21 100909198 FPFAUWFQDNFDNQ-SDXDJHTJSA-N 304.321 3.259 0 40 DGAB O=C(NCC[C@H](CCO)c1ccccc1)c1ccc(F)cc1F 206625049 LHEDOHUCGHNTLL-CQSZACIVSA-N 319.351 3.251 0 40 DGAB Fc1cccc(CNc2ccc(-c3nnnn3C3CC3)cc2)c1 40061494 SAXNLCCKPOIFSL-UHFFFAOYSA-N 309.348 3.426 0 40 DGAB Nc1nnc(SCCOc2ccccc2Cl)n1C1CC1 31453792 JAUOGZJIXIDPJM-UHFFFAOYSA-N 310.810 3.020 0 40 DGAB COc1ccc(CN(C)C(=O)NC2CCCCCC2)cc1O 52497529 VIKAWYFHSYTDNE-UHFFFAOYSA-N 306.406 3.265 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)Nc1ccccc1C(N)=O 81326 MOVZCRONUOIENV-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB CCCC[C@H](S[C@](CC)(C(N)=O)c1ccccc1)C(=O)O 1705150 NNCDGIJFFKOTHG-BBRMVZONSA-N 309.431 3.154 0 40 DGAB Cc1nc(C)c(C(=O)Oc2ccc3sc(=O)oc3c2)s1 3427764 WJEBXFQUSQIZCO-UHFFFAOYSA-N 307.352 3.147 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Nc1ccc(F)cc1F 3611257 WHBZTGMIWKWCDC-UHFFFAOYSA-N 303.308 3.471 0 40 DGAB COc1ccccc1COC(=O)Nc1c(C)nn(C)c1Cl 4072959 HWCNHIWNASVYTG-UHFFFAOYSA-N 309.753 3.139 0 40 DGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1Cl 4104122 XRWULCVLPOMGLZ-IWBURCCVSA-N 301.773 3.350 0 40 DGAB O=C1S[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1 4270124 WLABGAVEJXXTOD-ZDUSSCGKSA-N 302.330 3.464 0 40 DGAB Cc1nc(NCCCC(=O)O)c2c3c(sc2n1)CCCC3 4294350 QBFCTEFYWAVHMX-UHFFFAOYSA-N 305.403 3.155 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C(C)C)[C@@H]2C1=O 4417059 VWCQAZFZWPMLER-GGNLRSJOSA-N 323.392 3.343 0 40 DGAB COCCN(C(=O)C(C)C)c1nnc(-c2ccc(C)cc2)s1 4880548 MPXRZOWHMBEQQP-UHFFFAOYSA-N 319.430 3.149 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(Cl)cc3)c2[C@H]1c1ccco1 4909343 MRXRCHGPNMEDHW-OAHLLOKOSA-N 313.744 3.498 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2cccc(Cl)c2)c1 5497137 POUQVDYWOKAEKR-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCOc2ccc(C)cc2)cc1 6336602 DZWBWTLAENTYDR-UHFFFAOYSA-N 312.369 3.361 0 40 DGAB O[C@H](c1nnc(-c2ccccc2)o1)c1ccccc1OC(F)F 7002460 TUNXJTWEGFVOPX-ZDUSSCGKSA-N 318.279 3.420 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)cc1 7813560 HJAYICLMTBKFAR-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 8218275 JRIDMXOBBVANSY-CYBMUJFWSA-N 322.836 3.308 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C)Cc1sccc1C 8309819 QFSNDOGLLPBOIT-UHFFFAOYSA-N 318.442 3.444 0 40 DGAB O=C1CSc2ccc(C(=O)Nc3cccc(F)c3)cc2N1 9314583 BRKHXWVPPIUQKQ-UHFFFAOYSA-N 302.330 3.122 0 40 DGAB COC(=O)c1cc(/C=C/C(=O)Nc2ccccc2F)oc1C 9690762 DZARZHDOXJJLGG-BQYQJAHWSA-N 303.289 3.166 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N[C@@H](c1ccccc1)C1CC1 11211756 LCQWAPDZGIMFFG-FQEVSTJZSA-N 323.392 3.268 0 40 DGAB COc1cccc(Cn2nnc(-c3ccc(Cl)cc3)n2)c1 11531390 UGNJAAKMWWSRAN-UHFFFAOYSA-N 300.749 3.050 0 40 DGAB O=C(Nc1nnc(Cc2cccs2)o1)c1ccc(F)cc1 11694628 QPNDKLVHOLVHCU-UHFFFAOYSA-N 303.318 3.113 0 40 DGAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@@H]1CCCO1 12144740 KPYILEUQJVCYME-HOCLYGCPSA-N 301.386 3.118 0 40 DGAB O=C(NCc1ccccc1)c1nc(-c2ccc3[nH]ccc3c2)no1 12407869 YRUGHUASUOQPKQ-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB COc1ccc(C(=O)O[C@H](C)C(=O)c2ccc(C)c(C)c2)cn1 12809800 ZFQGAHZWKOZQRV-CYBMUJFWSA-N 313.353 3.135 0 40 DGAB Cc1ccccc1[C@H]1C[C@@H](c2ccc(F)cc2)Nc2nc(N)nn21 13132189 NIDOIRMPUZLJEG-JKSUJKDBSA-N 323.375 3.454 0 40 DGAB aggregator O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]2C(=O)N1c1ccc(Cl)c(F)c1)C31CC1 13659600 LHZZXNXZKJHZKB-IOQCUFBNSA-N 317.747 3.181 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(OC)cc2F)c1 14068030 XBQZYIFBJHJHFP-UHFFFAOYSA-N 317.316 3.182 0 40 DGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1c1ccc(OC(F)(F)F)cc1 14092999 XNVOFGMGIUDPPE-VXGBXAGGSA-N 311.259 3.041 0 40 DGAB COc1ccc(C(=O)N2CCc3cc4ccccc4nc32)cc1 15841757 JMQNIEQIRMKZEN-UHFFFAOYSA-N 304.349 3.446 0 40 DGAB C1=C[C@H]2C[C@@H]1C[C@H]2CN1CCN(CCCc2ccccc2)CC1 19361656 RNNMSKIARPGIKI-HKBOAZHASA-N 310.485 3.449 0 40 DGAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1ccc(C)c(C)c1 19712525 UFNYBDNALFYCNT-RTBURBONSA-N 300.446 3.279 0 40 DGAB C[C@H](NC(=O)C1CCCC1)c1ccc(NC(=O)C2CC2)cc1 27304598 UYNWAYGWKSPXOL-LBPRGKRZSA-N 300.402 3.403 0 40 DGAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)[C@@H]1CCCO1 27923260 WSKRPBBIBKPUPC-KRWDZBQOSA-N 321.380 3.202 0 40 DGAB COc1ccc([C@H]2CCCN2c2nn3cc(C)nc3s2)cc1 29587822 STWZJNFXDJJPPA-CQSZACIVSA-N 314.414 3.449 0 40 DGAB Brc1ccccc1-c1nnc(CN2CCCCC2)o1 30824639 UYEWOWRICYCGEN-UHFFFAOYSA-N 322.206 3.485 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)OCC(F)(F)F)c2cccnc12 31728152 QRVNZBZTQQOIAR-JTQLQIEISA-N 312.291 3.449 0 40 DGAB CCn1ncc(CNc2ccc3c(c2)N2CCN=C2S3)c1C 32533053 FORPCEZWBAYKSJ-UHFFFAOYSA-N 313.430 3.105 0 40 DGAB COc1ccccc1NC(=O)NC[C@H](O)c1ccc(Cl)cc1 32779482 JXQHNEJAOSEGSC-AWEZNQCLSA-N 320.776 3.204 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)c1 36635482 YFCWWUUBYPSCKT-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CC(=O)c1ccccc1NCC(=O)N[C@@H]1CCCc2ccccc21 39561354 CMTFDUIQGFYICL-LJQANCHMSA-N 322.408 3.495 0 40 DGAB Cc1cccc(/C=C/C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)c1 40107576 HEDMPZXLXUPWHV-FNQZAJIHSA-N 300.446 3.102 0 40 DGAB Cc1ccc(N(C)C[C@H](O)COCc2ccccc2F)c(C)c1 40153829 OWEZOISMZZSPFM-KRWDZBQOSA-N 317.404 3.456 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1cccc(Cl)c1 42646214 WOKUCLDICPBTHI-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Cc1ccsc1CN(C)C(=O)NC[C@H](c1ccco1)N(C)C 44891233 PGIYJZYPIKLCEZ-CYBMUJFWSA-N 321.446 3.094 0 40 DGAB O=C(NCc1cc(Br)cs1)NCC1CCC1 47040431 HXLRITLWDPLPHM-UHFFFAOYSA-N 303.225 3.110 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)CCc1ccsc1 48301784 GVXYOFUDGJRXFJ-UHFFFAOYSA-N 304.415 3.179 0 40 DGAB COc1ccccc1[C@@H](NC(=O)CC(C)(C)C)c1nccn1C 48332382 VWHTVPQDFFJYRP-MRXNPFEDSA-N 315.417 3.071 0 40 DGAB Cc1cnc(NS(=O)(=O)c2ccccc2C(F)(F)F)s1 57721804 IOAUIWWTEWYZKA-UHFFFAOYSA-N 322.333 3.271 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)CCCNC(=O)C(C)(C)C 58406362 HNOXLLLWDYVZKZ-AWEZNQCLSA-N 304.434 3.149 0 40 DGAB CCCN(CCC)C(=O)CCCC(=O)Nc1ccccc1O 65542807 WUEBSDRYPUGVNU-UHFFFAOYSA-N 306.406 3.150 0 40 DGAB Cc1ccc(NCC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 66697124 RWXDSBRHJMJTOR-AWEZNQCLSA-N 323.396 3.171 0 40 DGAB CC(C)(C)c1ccc(=O)n(CN2CCC[C@@H]2c2ccsc2)n1 66792653 UWFOTLZGUXXNJR-CQSZACIVSA-N 317.458 3.397 0 40 DGAB COc1ccc(C)c2c1N(C(=O)Cc1c(C)noc1C)CCC2 67843688 WZFZEMILDWSOLW-UHFFFAOYSA-N 314.385 3.130 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1cc(OC)cc(OC)c1 69416976 CHACKLQOWCPCQH-UHFFFAOYSA-N 305.296 3.118 0 40 DGAB Cc1cc(C(=O)N(CCc2ccccc2)Cc2ccncc2)no1 69570657 AHXCASSZRITXOA-UHFFFAOYSA-N 321.380 3.263 0 40 DGAB CN(C(=O)c1cccc(C(N)=O)c1)c1cc(Cl)cc(Cl)c1 69814567 VMLSEEWRGCJMDX-UHFFFAOYSA-N 323.179 3.369 0 40 DGAB CCc1noc(CSc2nnc(-c3sccc3C)o2)n1 69951996 FGXOFJGLJZHPJF-UHFFFAOYSA-N 308.388 3.344 0 40 DGAB NC(=O)c1ccc2[nH]c(-c3cccc(Br)c3)nc2c1 70461547 MCXFKDGXMQWIQQ-UHFFFAOYSA-N 316.158 3.091 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2csc(-c3ccco3)n2)cn1 71799310 MSYKQWAVPKEIEK-CQSZACIVSA-N 314.414 3.474 0 40 DGAB CC(C)OCc1cccc(S(=O)(=O)N2CCCCCC2)c1 72264814 HIRDYMNCMIZDMU-UHFFFAOYSA-N 311.447 3.176 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72283080 NCNCNIUQZQUPFB-RDJZCZTQSA-N 309.413 3.236 0 40 DGAB C[C@H](CCNC(=O)N(C)Cc1nccs1)c1ccccc1 74871085 MVLGITDKMRPAOY-CYBMUJFWSA-N 303.431 3.478 0 40 DGAB CCc1nnc([C@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)o1 76046870 GCGKHRGEJGHFST-WCQYABFASA-N 317.437 3.312 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)NCc1cccc(Cl)c1 76083957 FWPOMBHZINJZIL-UHFFFAOYSA-N 320.824 3.192 0 40 DGAB O=C(CC1CCN(c2nc3ccccc3o2)CC1)N1CCCC1 76803525 SNOTYMXZSNURKO-UHFFFAOYSA-N 313.401 3.057 0 40 DGAB CC(=O)N(C)Cc1ccccc1NC(=O)CC1=CCCCC1 78606168 DOGGCNUIIHIJHI-UHFFFAOYSA-N 300.402 3.494 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H]1CCOc2ccccc21 79000914 GQILDEGNNCOPDS-IIAWOOMASA-N 305.443 3.343 0 40 DGAB Cc1cnoc1C(=O)OCc1ccc(OC(F)(F)F)cc1 79100766 OZZNHTCLBAGKQG-UHFFFAOYSA-N 301.220 3.239 0 40 DGAB O=C1N[C@@H](c2cnc(-c3cccs3)s2)Nc2ncccc21 83022757 SOGYWVPLKYLRGA-LBPRGKRZSA-N 314.395 3.121 0 40 DGAB Fc1cccc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1F 83414526 PCJKHYMWNDTAMY-HNNXBMFYSA-N 311.372 3.125 0 40 DGAB CCSCC[C@H](C)NC(=O)C[C@](O)(c1ccccc1)C1CC1 84812068 HDUNTAOLDCFXRF-KSSFIOAISA-N 321.486 3.322 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccc(Cl)cc1Cl)C1CC1 84823531 PMUKNVLMXDIVJT-GFCCVEGCSA-N 316.184 3.065 0 40 DGAB Cc1cc(CS[C@H]2CCN(c3c(F)cccc3F)C2=O)on1 88305937 LQAHWQMWSADHMG-ZDUSSCGKSA-N 324.352 3.300 0 40 DGAB COC(=O)c1cc(CNc2ccc3c(c2)nc(C2CC2)n3C)c[nH]1 89806677 WXHGKANSTAISBP-UHFFFAOYSA-N 324.384 3.178 0 40 DGAB CCCOc1cccc(CCN[C@H]2CCCc3c2cnn3C)c1 90577548 ZYMSACBWSHKCBZ-SFHVURJKSA-N 313.445 3.419 0 40 DGAB CC[C@@H](C)c1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)on1 95424061 BUUDLNQXGTXPFW-RISCZKNCSA-N 316.357 3.134 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@@H](C)C[C@@H](O)c2cccs2)o1 95434452 RMSQIGHSCVALOM-FTWBLAIESA-N 305.399 3.291 0 40 DGAB O=c1c2cc(F)ccc2nc2n1CCc1c-2[nH]c2ccccc12 95556583 INXBQHAKYIHJDL-UHFFFAOYSA-N 305.312 3.240 0 40 DGAB Cc1ccc([C@H]2CN(C(=O)Nc3cc(C(C)C)on3)CCO2)o1 95974355 ICZJFLHCBQLEOF-CQSZACIVSA-N 319.361 3.305 0 40 DGAB c1nc(NCC2CC2)cc(N2CCC[C@H](c3nccs3)C2)n1 95994698 FUPAQGFKUFHNKU-ZDUSSCGKSA-N 315.446 3.139 0 40 DGAB Clc1cccc(Cc2noc([C@@H]3CCn4cncc4C3)n2)c1 96009444 OLXBIIAITYCVCT-GFCCVEGCSA-N 314.776 3.240 0 40 DGAB C[C@@H](C(=O)N1CCN(Cc2ccccc2)CC1)c1ccccc1 96026236 HKYLXLMCKULWRF-QGZVFWFLSA-N 308.425 3.135 0 40 DGAB CO[C@H]1CCN(c2ncc(F)cn2)C[C@@H]1Cc1cccc(C)c1 96207086 DDFRABLKUATZOJ-RDJZCZTQSA-N 315.392 3.008 0 40 DGAB COC(=O)NCc1ccc(NC(=O)Cc2ccc(C)s2)cc1 96409242 DZWLGDWDJIZNLD-UHFFFAOYSA-N 318.398 3.094 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)N(C)Cc1cnccn1 96410591 QDNRJDAMXDWGIJ-UHFFFAOYSA-N 320.780 3.111 0 40 DGAB CC(C)OCCN1CCC(N[C@H]2CCc3ccccc3C2)CC1 96478992 PCDJULUULMYVNJ-FQEVSTJZSA-N 316.489 3.023 0 40 DGAB Cc1ccc(S(=O)(=O)Cc2csc([C@@H]3CCCO3)n2)cc1 96483406 CLNQTEZFDMEVOV-AWEZNQCLSA-N 323.439 3.277 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cccc(C(=O)O)c1 97035844 QIRDMHDXPJEURN-KGLIPLIRSA-N 315.394 3.175 0 40 DGAB COc1cccc([C@H](OC(=O)c2cccnc2)c2ccncc2)c1 97082775 ARGAEEODSRPBEN-GOSISDBHSA-N 320.348 3.432 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)C[C@@H](C)c1nccs1 97108317 OAWKLWNRABNFRF-WDEREUQCSA-N 320.462 3.239 0 40 DGAB O=[S@](Cc1nccs1)Cc1ncc(Cl)cc1Cl 97148594 WKILMUYKNOUAEC-QGZVFWFLSA-N 307.227 3.294 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccccc2OC)C1=O 101275686 JURNWNSOXKEVJP-HNNXBMFYSA-N 324.380 3.002 0 40 DGAB COc1ccc(CCCNC(=O)c2ccc(OC)c(F)c2)cc1 120101853 QSMADTQETACMMZ-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB Cc1ccc(-c2nc(NCc3ccncc3)ncc2C(=O)O)cc1 169792354 HOFVGYQADUXLHV-UHFFFAOYSA-N 320.352 3.157 0 40 DGAB CCOC(=O)c1nc(-c2ccccc2OC(F)(F)F)[nH]c1C 199563573 KCERKQZTSHQDOZ-UHFFFAOYSA-N 314.263 3.460 0 40 DGAB CC(C)n1ccc(CN2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)n1 225501379 SSEWRJFLGGVWAS-YOEHRIQHSA-N 321.371 3.050 0 40 DGAB Cc1ccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)nc1 225731698 CGDXDCJXESHFJS-HUUCEWRRSA-N 320.506 3.044 0 40 DGAB O=C(CCc1nc(-c2cccc3ccccc23)no1)N1CCCC1 225829294 FSXQBKQFSOXZHO-UHFFFAOYSA-N 321.380 3.445 0 40 DGAB C[C@H](CN1CCCC[C@H]1[C@@H]1CNC(=O)C1)c1cccc(Cl)c1 252584823 DATPRJIPIDVAQW-KMFMINBZSA-N 320.864 3.434 0 40 DGAB c1ccc(CNc2ncc3c(n2)CC[C@@H](NC2CCCC2)C3)cc1 306137764 RFMCYYGJWLDUGM-GOSISDBHSA-N 322.456 3.478 0 40 DGAB c1ccc(-c2ccn(Cc3noc(C4CCCCC4)n3)n2)nc1 329212353 ZVLNALPYPRKJGK-UHFFFAOYSA-N 309.373 3.424 0 40 DGAB O=C(c1ccccc1)N1CCC[C@H](N2CCc3ccccc3C2)C1 408613710 ZPOVXWTWTKKMPD-FQEVSTJZSA-N 320.436 3.350 0 40 DGAB CC(C)COCc1nn(CC(F)(F)F)cc1Br 408717056 VIKKUWOFJOYDAJ-UHFFFAOYSA-N 315.133 3.381 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(O[C@@H](C)CC)cc2)C1=O 409220889 HJBCROVRYANPKL-YGRGUWMTSA-N 302.374 3.167 0 40 DGAB CCc1cccc(C(=O)Nc2nc(C3CCOCC3)cs2)n1 515989945 PNRBPEPKOAGBHQ-UHFFFAOYSA-N 317.414 3.247 0 40 DGAB CCc1oc2ccccc2c1CC(=O)NCCc1ccncc1 528108696 CBZCGDOYMHMWKX-UHFFFAOYSA-N 308.381 3.292 0 40 DGAB O=C(NC[C@H]1CCC[C@H]1c1ccccc1)c1csc(O)n1 562560709 LSKJDPVLYLERTE-OLZOCXBDSA-N 302.399 3.162 0 40 DGAB CC(C)[C@@H]1N(C(=O)c2cc(O)nc(C3CC3)n2)CC12CCCC2 579023885 CKLFCRZGBOQZCX-HNNXBMFYSA-N 315.417 3.100 0 40 DGAB C[C@@H](CC(=O)N1CCC([C@@H](C)CO)CC1)Cc1cccc(F)c1 585090589 SGAVUNSTGOJMBE-CABCVRRESA-N 321.436 3.261 0 40 DGAB COCC[C@H]1CN(Cc2ccccc2OC)Cc2cccn2C1 585095571 XVKQINZXFXIZHC-INIZCTEOSA-N 314.429 3.165 0 40 DGAB Cc1cc(OC[C@H]2CCCN(C(=O)NC3CCCC3)C2)ccn1 1776000664 DWQPRNXNGRULTE-HNNXBMFYSA-N 317.433 3.133 0 40 DGAB CC1(C)Cc2ccccc2C([C@@H](Cc2ccccc2)C(N)=O)=N1 67492 TXRJSAMIVNOIIW-QGZVFWFLSA-N 306.409 3.155 0 40 DGAB biogenic Nc1nc(Cl)cc(Oc2ccc(Br)cc2)n1 315919 CAEKDTPGOCOWMH-UHFFFAOYSA-N 300.543 3.267 0 40 DGAB CCn1cc(C(=O)Nc2ccc(C)cc2)c(=O)c2ccc(C)nc21 415121 ONBXPTSVMJMISD-UHFFFAOYSA-N 321.380 3.286 0 40 DGAB O=C1[C@H](Cc2ccc3[nH]ccc3c2)NC(=S)N1c1ccccc1 506840 XZVTXJSFTDBKFL-INIZCTEOSA-N 321.405 3.000 0 40 DGAB COc1ccc(COC[C@H](O)CN[C@H](C)CCCC(C)C)cc1 2655943 BAPKHUKMWKHLGY-SJLPKXTDSA-N 323.477 3.377 0 40 DGAB COc1ccc(NC(=O)CCOc2ccccc2F)cc1OC 3318815 IFXAYQHKNKJPBP-UHFFFAOYSA-N 319.332 3.251 0 40 DGAB COc1ccccc1OCCNC(=O)c1cccc(Cl)c1 3334540 FBRGXPUVOIRUNK-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1ccc(F)c(Cl)c1 5421490 RZIWURJVYCEPJQ-CQSZACIVSA-N 318.735 3.292 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c(C)c1 6340306 QNJQHVAKOIUSBM-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1cccs1)[C@H]2C(=O)O 6726506 OBPHHSJTTNHASM-MXYBEHONSA-N 319.426 3.058 0 40 DGAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc2c(c1)CCC2 6851910 VTUNIWADNHKDTK-UHFFFAOYSA-N 323.396 3.326 0 40 DGAB COc1ccc(OC)c(C(=O)Nc2cc(C)ccc2OC)c1 7475054 TYLCBTNOPFQCKK-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB COC(=O)c1ccc(C(=O)NCc2ccccc2Cl)cc1 8034533 CUDWSTBWGQFTSF-UHFFFAOYSA-N 303.745 3.057 0 40 DGAB COc1cc(CNC(=O)C2CCCCC2)ccc1OC(F)F 8062216 WRMAGFYEVBGPDC-UHFFFAOYSA-N 313.344 3.493 0 40 DGAB CC(=O)Nc1cccc(C(=O)NC23CC4CC(CC(C4)C2)C3)c1 9452714 OOVCQRSZJWXQMW-UHFFFAOYSA-N 312.413 3.344 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nnc(C2CCCCC2)o1 10881759 COZMYEVIBZZQQA-UHFFFAOYSA-N 303.337 3.438 0 40 DGAB COc1ccc(OC)c(CSc2nnnn2C2CCCC2)c1 12852279 HDZLOIMJVYEYSE-UHFFFAOYSA-N 320.418 3.098 0 40 DGAB COc1ccc2cc(CNc3ccc(F)cc3F)c(=O)[nH]c2c1 13561415 KQNKRPBMRZQNKI-UHFFFAOYSA-N 316.307 3.427 0 40 DGAB CC(=O)c1csc(NC(=O)[C@@H](C)Oc2cccc(Cl)c2)n1 15201176 HNXZBSPNCQPJKS-SECBINFHSA-N 324.789 3.405 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Sc1ccccc1 15653337 NMOJSIWDDAOYNM-CYBMUJFWSA-N 301.411 3.492 0 40 DGAB CCCNC(=O)C1=Cc2cc(Br)ccc2OC=C1 15838651 LGXGGQSPJNZMFH-UHFFFAOYSA-N 308.175 3.265 0 40 DGAB Cc1cc(C)c(C(=O)Cn2cnc3ccsc3c2=O)cc1C 16331307 SCQYGFDMARZLML-UHFFFAOYSA-N 312.394 3.266 0 40 DGAB CCOC(=O)C1=C(c2ccccc2)N=c2ccccc2=S1C 17971401 NRFDQEKSMPYCEA-UHFFFAOYSA-N 311.406 3.401 0 40 DGAB O[C@@H](CN1CCC(Oc2ccccc2F)CC1)c1cccs1 19350150 XJJRJFTXNRSWDR-HNNXBMFYSA-N 321.417 3.464 0 40 DGAB Cc1ncc(C(=O)N2CCC(Cc3ccccc3)CC2)c(C)n1 19937083 PSFSHKHVQDHUKN-UHFFFAOYSA-N 309.413 3.188 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc(Cl)cc2N)c1 20343426 LWOGOWBNANBDSP-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 20452479 LKAPMPOSYURPRS-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 20467907 TVZBGRQWURWXGS-UHFFFAOYSA-N 308.853 3.420 0 40 DGAB CCCCC(=O)Nc1nn2c(-c3ccccc3C)nnc2s1 20486515 ARGXNIBWMRVBLD-UHFFFAOYSA-N 315.402 3.290 0 40 DGAB O=C(CN1C(=O)CCCc2ccccc21)Nc1cccc(F)c1 20532592 LRNURVUBWPHVBT-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB CC(=O)N1CCc2cc(C(=O)NCCC3=CCCCC3)ccc21 21003087 FQLSZDOWRWLLTE-UHFFFAOYSA-N 312.413 3.216 0 40 DGAB Cc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCC1 21148671 NNNXJEJRSULNDF-KRWDZBQOSA-N 300.446 3.476 0 40 DGAB COC[C@@H](C)NC(=O)c1sc(Nc2ccc(F)cc2)nc1C 22246098 AXGRWMQZRRSYCJ-SECBINFHSA-N 323.393 3.099 0 40 DGAB Cc1cc(C)n(CCCNC(=O)CCc2ccccc2Cl)n1 22412840 BKEYHGUCXJYJHQ-UHFFFAOYSA-N 319.836 3.292 0 40 DGAB O=C(NCCc1ccc(Br)s1)c1ccoc1 22521629 HHWMEPQKPQJNTM-UHFFFAOYSA-N 300.177 3.076 0 40 DGAB Cc1cc(C(=O)COC(=O)c2c(C)noc2C(C)C)c(C)[nH]1 23463853 IDYGDOLPUQOQHM-UHFFFAOYSA-N 304.346 3.091 0 40 DGAB C[C@@H](NC(=O)CCc1ccsc1)c1ccc2c(c1)OCCO2 23675004 NUHGVMPCAGBHPE-GFCCVEGCSA-N 317.410 3.329 0 40 DGAB COc1ccc(Cl)cc1CC(=O)N[C@@H](C)c1ccccn1 25405134 GYSHJXRQJGJQMK-NSHDSACASA-N 304.777 3.164 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1ccccc1F)N2 30540720 NLMNFLMNAGLSQK-MRXNPFEDSA-N 316.332 3.039 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2cc(C)ccc2C)cc1 30763208 JMMATRYSORZJED-HNNXBMFYSA-N 324.424 3.431 0 40 DGAB Cc1c(C(=O)Nc2ccc3oc(=O)[nH]c3c2)oc2ccccc12 31254938 KAEDNOPKJMJPMW-UHFFFAOYSA-N 308.293 3.428 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1ccc(CC(=O)N2CCCC2)cc1 32000531 PMBDZRJAHYDHDB-OAHLLOKOSA-N 312.413 3.146 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 40025471 ZKGSZUNLVDZCCW-CQSZACIVSA-N 323.820 3.074 0 40 DGAB CCN(CC)[C@H](CNC(=O)Nc1cccnc1)c1ccsc1 40091431 OXQGLPHWGPCGCZ-OAHLLOKOSA-N 318.446 3.348 0 40 DGAB Cc1c(C(=O)N2CCc3sccc3C2)cnn1C(C)(C)C 40536437 AZKJFUZNGPVQSJ-UHFFFAOYSA-N 303.431 3.207 0 40 DGAB COc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42770183 ALLOEGGDTFMXCC-LLVKDONJSA-N 314.223 3.369 0 40 DGAB COC[C@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 45819574 KBYXNOAJFWDPQC-NSHDSACASA-N 322.792 3.079 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(N2CCCC2)c(F)c1 48137927 IPBYDQSRNQHXRT-UHFFFAOYSA-N 314.364 3.143 0 40 DGAB CC(=O)c1ccc(NC(=O)CCN2CCc3ccccc32)cc1 54423840 ZEWCXQWMOJCVBH-UHFFFAOYSA-N 308.381 3.281 0 40 DGAB CCC[C@H](C)c1nnc(NC(=O)c2noc(C)c2COC)s1 55119903 ZQQGTFCCJKFWHY-QMMMGPOBSA-N 324.406 3.137 0 40 DGAB Cc1noc(C)c1CNc1ccc(C(=O)NC2CC2)c(Cl)c1 55873027 DLHQNKFUNIVHOT-UHFFFAOYSA-N 319.792 3.449 0 40 DGAB CN(C)CCCCCCCNC(=O)NCc1ccc(F)cc1 58009154 KZVBQSWKYHZWKT-UHFFFAOYSA-N 309.429 3.137 0 40 DGAB O=C(CCC1CCCC1)Nc1cccc(-c2ccc(=O)[nH]n2)c1 58282940 SBVPFQBZFLODIM-UHFFFAOYSA-N 311.385 3.346 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@@H](C)C[C@@H](C)C1 58421014 NJHKQSQLYODQOR-BETUJISGSA-N 317.433 3.207 0 40 DGAB C[C@H](N[C@H](C(N)=O)c1ccccc1)c1ccc(F)c(Cl)c1 65549912 IPEXURRRVAQPOO-BONVTDFDSA-N 306.768 3.356 0 40 DGAB Cc1ccc([C@@H](NC[C@@H]2CNc3cc(C)nn3C2)C2CC2)cc1 65623781 ZTLKXFAVNZOJOZ-HNAYVOBHSA-N 310.445 3.283 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc3cn[nH]c23)C[C@@H](c2ccccc2)O1 67828040 HOSYKALAFIBZRO-DYVFJYSZSA-N 321.380 3.165 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@H]1CN1CCCCC1 68131950 NVRCXCUHVHPMDB-KRWDZBQOSA-N 323.440 3.325 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(F)c(OC)c(F)c1 69035073 NOPJZZKDFKNGJV-NSHDSACASA-N 314.332 3.006 0 40 DGAB CC(C)(C)N1CCCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 69047621 COQUBSVNZGSMFD-SJORKVTESA-N 300.446 3.123 0 40 DGAB CC(C)c1ccc(C[S@@](=O)[C@@H](C)C(=O)NC(C)(C)C)cc1 69460425 FFAVBKROQNGAJB-ZSEKCTLFSA-N 309.475 3.362 0 40 DGAB OCCCCN1CCO[C@H](c2cc(F)c(Cl)cc2Cl)C1 69897388 HHYWVUOJZNOFMP-AWEZNQCLSA-N 322.207 3.278 0 40 DGAB O=C(CCn1ccc2ccccc21)N[C@@H]1CCC[C@H]1n1ccnc1 71812658 OFEIGGCORSRHSA-SJLPKXTDSA-N 322.412 3.138 0 40 DGAB CC1(C)COCCN1C(=O)c1csc(-c2cccs2)n1 71830852 WFVNKVUEYFOYDB-UHFFFAOYSA-N 308.428 3.123 0 40 DGAB C[C@@H]1C[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1 72281410 QPMVWQSKKAKOBT-MLGOLLRUSA-N 310.353 3.055 0 40 DGAB O=C(NCCc1ccsc1)c1ccc(-c2ccccc2)[nH]c1=O 75117584 TVKNIEBDGIWTCI-UHFFFAOYSA-N 324.405 3.076 0 40 DGAB Cn1nccc1CNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 76041371 WDFZCZOSJLNLSZ-ZIAGYGMSSA-N 324.211 3.147 0 40 DGAB O=C(NC[C@@H](O)c1ccc(F)cc1)[C@@H]1CCCc2ccccc21 78684681 FRWMOALLEXKKJM-QZTJIDSGSA-N 313.372 3.095 0 40 DGAB CCCNC(=O)CCCC(=O)Nc1ccc(OC(C)C)cc1F 78999560 WPXUANRLNDUDGK-UHFFFAOYSA-N 324.396 3.248 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@@](C)=O)c2)cn1 79361005 RJIUGDKESMCUAH-NRFANRHFSA-N 322.817 3.174 0 40 DGAB O=C(NC[C@H]1CCCO1)N(Cc1ccoc1)C1CCCCC1 80564062 RLNXZQDLADYTMR-MRXNPFEDSA-N 306.406 3.303 0 40 DGAB O=C(c1ccnc(OC2CCC2)c1)N1CCC[C@@H]1c1ccncc1 89564641 ACYKERMVAGSQRL-QGZVFWFLSA-N 323.396 3.385 0 40 DGAB Fc1cc(CN2CCS[C@@H]3COCC[C@@H]32)ccc1Cl 91856817 XAPOTEFDGMNPIU-UONOGXRCSA-N 301.814 3.185 0 40 DGAB O=[S@@](Cc1cccc(OC(F)F)c1)C[C@H]1CCCCO1 95407413 WTHJBCXEJUNQIX-ZUOKHONESA-N 304.358 3.106 0 40 DGAB CO[C@H]1CCCCC[C@@H]1NCc1ccc(N2CCCC2)nc1 95412283 SLCPSCONXUPUPB-IRXDYDNUSA-N 303.450 3.119 0 40 DGAB OC[C@H](CNCc1cnc(C2CCC2)s1)c1ccccc1 95415535 SZDFAFHXBVQGEQ-HNNXBMFYSA-N 302.443 3.276 0 40 DGAB c1ccc(-c2cncnc2NCc2ccc3c(c2)OCO3)cc1 95428371 MPPCQPFDZNNHSJ-UHFFFAOYSA-N 305.337 3.484 0 40 DGAB CN1C(=O)C[C@H](C(=O)N2CC[C@@H]2c2ccccc2)c2ccccc21 95954213 XYUJMYBUPQCFDU-DLBZAZTESA-N 320.392 3.110 0 40 DGAB COc1ccc([C@H](C)NCC[S@](=O)C(C)(C)C)cc1F 95968113 PMYRZIPWMLDMFS-PRWKNARSSA-N 301.427 3.032 0 40 DGAB c1nc2c(c(-c3ccsc3)n1)CCN(Cc1ccoc1)CC2 96255335 UQJNXSPTXYWXSF-UHFFFAOYSA-N 311.410 3.399 0 40 DGAB CCOCCCCNC(=O)NCc1oc2ccccc2c1C 96406819 PVAGLAXCAOMYCK-UHFFFAOYSA-N 304.390 3.357 0 40 DGAB CCn1cc(NC(=O)NC[C@H](C)Sc2ccccc2)cn1 96431333 IYEGXXOXCROHSR-LBPRGKRZSA-N 304.419 3.205 0 40 DGAB C[C@H](NC(=O)Nc1cccnc1)c1cccc(-n2ccnc2)c1 96434118 ZDXMYYRZFGCBLW-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB Cc1cccc(O[C@H](C)CNC(=O)N[C@@H](C)c2nccs2)c1 96439972 JDSLUIYTBYIGKW-OLZOCXBDSA-N 319.430 3.279 0 40 DGAB COC(=O)c1cc(NC(=O)c2ncoc2C(C)C)ccc1C 96445171 KQACINBKFXNWDD-UHFFFAOYSA-N 302.330 3.145 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3C[C@H]4CCC[C@@H]4C3)c12 96462203 XKJVSSAZZWHSIQ-ZIAGYGMSSA-N 324.428 3.026 0 40 DGAB Fc1cc(CN[C@H]2CCCc3c[nH]nc32)ccc1OC(F)F 97021404 ZDDHCINHSHDGFP-LBPRGKRZSA-N 311.307 3.317 0 40 DGAB Cc1ncn(C[C@@H](C)Nc2ccc(N3CCCC3=O)cc2)c1C 97037107 WKOIZGURQHWXST-CYBMUJFWSA-N 312.417 3.127 0 40 DGAB COC[C@H](C)C(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086533 STRWWHJOAFKFDI-WCQYABFASA-N 315.335 3.304 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1ccc([S@](C)=O)cc1 97104816 HLYWAQAHACHXQZ-OAQYLSRUSA-N 304.371 3.082 0 40 DGAB Cc1csc(SCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 105206261 RHAXHHTZOWWQJW-ZDEQEGDKSA-N 310.488 3.485 0 40 DGAB C[C@H]1CCCCN1[C@H](C)CNC(=S)NCc1ccc(F)cc1 105675674 SNMRRVUCTSMAKW-UONOGXRCSA-N 323.481 3.053 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C[C@H]2CCOC2)C2CC2)o1 106078444 JQXUPVMJNXZIND-CPUCHLNUSA-N 317.429 3.363 0 40 DGAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931949 DKUUGJBEWAAWFQ-ZMNLYJHCSA-N 322.489 3.112 0 40 DGAB OC[C@@H]1CCCN(c2ccnc3cc(C(F)(F)F)ccc23)C1 122896452 GCHJDLZYVLRENQ-LLVKDONJSA-N 310.319 3.462 0 40 DGAB C[C@H](N[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCCCC1 127894480 QHTXAIRQYMWABB-YNEHKIRRSA-N 306.372 3.098 0 40 DGAB CC(C)[C@@H](C)NS(=O)(=O)Cc1ccc(Cl)cc1Cl 129228428 QMXMPWBFQKWWFQ-SECBINFHSA-N 310.246 3.457 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 142265047 FNLKIIQHDMRXNV-MRXNPFEDSA-N 319.426 3.433 0 40 DGAB Cc1ccc(NC(=O)c2cscn2)cc1C(=O)N(C)C(C)C 193397665 GIIWQDCQMURMFU-UHFFFAOYSA-N 317.414 3.184 0 40 DGAB CO[C@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1 206860707 MGABYWKLIXSYGU-CYBMUJFWSA-N 313.275 3.416 0 40 DGAB COc1cc(-c2nc3cc(CO)ccc3o2)cc(OC)c1OC 216797448 FLPJBMKGBKWCNT-UHFFFAOYSA-N 315.325 3.013 0 40 DGAB COc1ccc(C)cc1Nc1ccc(N)cc1C(=O)NC(C)C 225482022 RVSGLUQPIUCLLO-UHFFFAOYSA-N 313.401 3.468 0 40 DGAB CCOCCOc1ccc(NC(=O)C2(OCC)CCCC2)cc1 225707328 ZWDHJOGPHGLTLW-UHFFFAOYSA-N 321.417 3.390 0 40 DGAB CCCC(=O)Nc1ccc(OC)c(-c2ccc(C(=O)O)o2)c1 226352498 MSVLZDNYRBJFTL-UHFFFAOYSA-N 303.314 3.392 0 40 DGAB NC(=O)c1cnc([C@H]2CCCCN2Cc2ccccc2F)s1 257222641 DUDUENGNOTVADR-CYBMUJFWSA-N 319.405 3.108 0 40 DGAB O=C(Cc1ccc2c(c1)CCC2)N1CCCC[C@@H]1c1ccn[nH]1 257286886 PNMJCNSJBCIORX-GOSISDBHSA-N 309.413 3.195 0 40 DGAB Cc1cc(C)c(C(=O)NCCCN2CCC[C@H](C)C2)cc1C 260803027 XNYJXWRXISONGV-AWEZNQCLSA-N 302.462 3.464 0 40 DGAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3cccnc3)S2)cc1 408779938 OATBBHVGMIFMIV-XBNGYDHASA-N 311.410 3.244 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCC(Oc2ccsc2)CC1 575621183 YYFLXTQNNIUUFX-UHFFFAOYSA-N 318.398 3.297 0 40 DGAB CN(C)CCc1ccc(NC(=O)c2ccnc(F)c2Cl)cc1 585121126 GMTMOZFLIUTJQQ-UHFFFAOYSA-N 321.783 3.231 0 40 DGAB Cc1cccc(C(=O)NCCn2nc(C3CC3)cc2C2CC2)c1 585300170 MUKCPKBLZWXBGR-UHFFFAOYSA-N 309.413 3.376 0 40 DGAB C[C@H]1Cc2c(Br)ccc(Br)c2CN1 1082890320 PZYJPCAPHOEZFD-LURJTMIESA-N 305.013 3.246 0 40 DGAB CCCN1CC[C@H]2CC(=O)Nc3ccccc3OCC[C@H]2C1 1534646938 XILDEBVSSBDEAZ-GJZGRUSLSA-N 302.418 3.146 0 40 DGAB CC(C)(C)OC(=O)NCc1ccc(Br)c(N)c1 1857795420 VZIPBCCJXAZGFB-UHFFFAOYSA-N 301.184 3.056 0 40 DGAB Clc1ccc2oc(N3CCN(c4ccccn4)CC3)nc2c1 1859817199 WIPAHWAWJLQFSP-UHFFFAOYSA-N 314.776 3.203 0 40 DGAB Cc1nccn1-c1cc(NCCc2ccc(Cl)cc2)ncn1 1888913957 FKRHIOIFIHQOIS-UHFFFAOYSA-N 313.792 3.279 0 40 DGAB COc1ccc(CN2CCC(Oc3nccs3)CC2)cc1F 2086988574 XVGIVBLKAZJPLC-UHFFFAOYSA-N 322.405 3.334 0 40 DGAB CCc1ccc2nc(-c3cnn(-c4ccccc4)c3)[nH]c(=O)c2c1 60797567 LJWNFEAYQGXCKA-UHFFFAOYSA-N 316.364 3.338 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)NCc2nc(C)c(C)s2)C1 76477540 LRKMESHHZNEOMH-NWDGAFQWSA-N 313.492 3.233 0 40 DGAB C[C@H](Nc1cc(C(N)=O)ccn1)c1ccccc1C(F)(F)F 78374298 CXBVPVPKFNIQDO-VIFPVBQESA-N 309.291 3.372 0 40 DGAB C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCCC1CCCC1 78970847 RTKXHVNSHRWAFM-CQSZACIVSA-N 324.490 3.297 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)N[C@H](C)c1ccccc1 3057466 NPXCLVIWZHBKKF-HUUCEWRRSA-N 304.434 3.196 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 53371393 XPLAMQGZVKHODZ-PBHICJAKSA-N 318.461 3.326 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1(C)C 53464444 UOEXTZQCXMFLIJ-SMDDNHRTSA-N 319.474 3.308 0 40 DGAB CCCOc1ccccc1N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 4575862 XVDMGTJGIMNTPP-AZQPONJRSA-N 311.381 3.177 0 40 DGAB Cc1c(F)cccc1NC(=O)COC(=O)c1ccccc1F 6500392 GFSZDGCQSGEAHN-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB O=C(O)C[C@H](CC(=O)N1CCCCCC1)c1ccc(F)cc1 57638422 IINPZSXZOOABHC-AWEZNQCLSA-N 307.365 3.177 0 40 DGAB O=C(NOCc1ccccc1)c1cc(-c2ccccc2F)on1 47527718 VCYZDVCSXFHEQR-UHFFFAOYSA-N 312.300 3.342 0 40 DGAB C[C@@H]1CN(C(C)(C)CNc2nc3ccccc3o2)C[C@@H](C)O1 26083210 XZDURZQMXQKFNW-CHWSQXEVSA-N 303.406 3.128 0 40 DGAB Cc1nc(C2(NC(=O)[C@H]3C[C@H]4CC[C@H]3C4)CCCCCC2)no1 107572589 DVPNVIYKOIAWON-KKUMJFAQSA-N 317.433 3.480 0 40 DGAB O[C@]1(c2ccccc2)CN(c2ccccc2)C2=[N+]1CCCCC2 22407957 NKRVKLGGPMFTQL-FQEVSTJZSA-N 307.417 3.337 0 40 DGAB CC(C)(C)c1ccc(S(=O)(=O)Oc2cccc(O)c2)cc1 2069680 DXRJWPWSTVMSGX-UHFFFAOYSA-N 306.383 3.457 0 40 DGAB Cc1csc(S[C@H](C(=O)NCc2cccnc2)C(C)C)n1 58197344 SPZVSPHVRDFMTO-ZDUSSCGKSA-N 321.471 3.280 0 40 DGAB COc1ccc(C(=O)[C@@H](C)Sc2nnc(C)s2)cc1OC 58197446 XBHGVHRNWDDDTO-MRVPVSSYSA-N 324.427 3.227 0 40 DGAB CCCC[C@H](CC)C(=O)Nc1sc2c(c1C(N)=O)CCC2 28225601 MTVFUBZHYAHHJG-JTQLQIEISA-N 308.447 3.491 0 40 DGAB CCn1c(CN(C)C(=O)c2ccc(OC)cc2)nc2ccccc21 58280153 WRNYOCAXTMJCKJ-UHFFFAOYSA-N 323.396 3.337 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)Cc2ccc(F)cc2)c1 22480080 BSQCGTCQIGOVPH-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB O=C(NCc1cccnc1)c1cc2c(cn1)[nH]c1ccccc12 2124725 PFVOYRJKWFWFBJ-UHFFFAOYSA-N 302.337 3.041 0 40 DGAB biogenic CC(C)Oc1ccc(C(=O)Nc2cnc(C(C)(C)C)nc2)cn1 58414555 QOBWTBIGONCDNY-UHFFFAOYSA-N 314.389 3.209 0 40 DGAB Cc1cccc(CN2CCn3c(-c4cccc(F)c4)cnc3C2)n1 306134642 NUDMXLQOTPYZJF-UHFFFAOYSA-N 322.387 3.408 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(F)cc2C)c1 3348285 OYOVVLKVMNGFFY-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB O=C(CN1CCc2ccccc21)Nc1ccc(F)c(Cl)c1 3538045 OCMPHJCAEAHQMT-UHFFFAOYSA-N 304.752 3.480 0 40 DGAB CCCCCNC(=O)c1cc(C(C)C)nc2c1c(C)nn2C 12907855 PXWRLJBDGYALEK-UHFFFAOYSA-N 302.422 3.320 0 40 DGAB COc1cccc(N2CN(C3CCCCC3)CN=C2S)c1 13636036 YQJJGXBUNWTCBP-UHFFFAOYSA-N 305.447 3.351 0 40 DGAB CCCCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C 8714671 IVAHJVKMAJPGCI-UHFFFAOYSA-N 323.414 3.245 0 40 DGAB O=C(CC1CCCC1)NCc1ccc(NC(=O)C2CC2)cc1 8876421 ZAXHDISBIQJISI-UHFFFAOYSA-N 300.402 3.232 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)cc1=O 65497125 PITVOOUIJCWEGB-KRWDZBQOSA-N 310.397 3.143 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@H]2CCCC[C@@H]2C)cc1 5512111 PCOLBCMHAOKZBO-BBRMVZONSA-N 303.402 3.353 0 40 DGAB COc1ccc(C(=O)N[C@H]2CCCC[C@H]2C)c(OC)c1OC 6648763 QQNOQZHTSVRVFT-YPMHNXCESA-N 307.390 3.021 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C/c1ccccc1 5632670 JDLCKAGVUIQGGB-DHZHZOJOSA-N 310.353 3.306 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cccc(N2CCCC2=O)c1 9455083 JVNMHARRYTXSSZ-SFHVURJKSA-N 320.392 3.231 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Oc1ccc2c(c1)OCO2 7238853 VQEOBMHIBZDMID-UHFFFAOYSA-N 320.728 3.362 0 40 DGAB C[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)NC1CCCC1 7904139 RJAPPAJWLWBJRM-JTQLQIEISA-N 320.462 3.030 0 40 DGAB O=C(NC1CCCC1)c1ccc(Cl)cc1N1CCCC1=O 7951219 JEXSNSORABSSCR-UHFFFAOYSA-N 306.793 3.139 0 40 DGAB CC(C)(C)OC(=O)N1CCc2cc(Br)cnc2C1 306555709 CQPVBKLVMUZIPQ-UHFFFAOYSA-N 313.195 3.137 0 40 DGAB CNCCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 19736999 NUNBULLXHNJBTR-UHFFFAOYSA-N 323.484 3.003 0 40 DGAB in-vitro O=C(NCCc1ccc2c(c1)OCO2)c1ccc(Cl)cc1F 21637385 FULGAWCTYBHXAP-UHFFFAOYSA-N 321.735 3.180 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccccc2C(N)=O)c1 72309386 IMSGGSDXLQKGES-NHYWBVRUSA-N 310.353 3.172 0 40 DGAB CC[C@H](CCO)NCc1ccc(Br)c2cccnc12 96496281 MUWJFGNWSGYBLT-GFCCVEGCSA-N 323.234 3.248 0 40 DGAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cc(F)c(F)cc1F 71847614 MYIVHPCJMCLYTD-AWEZNQCLSA-N 321.254 3.344 0 40 DGAB C[C@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC(C)(C)O1 71831197 JWASSQUWJXPZOL-LBPRGKRZSA-N 319.449 3.155 0 40 DGAB C[C@H](NC(=O)/C=C/c1cccnc1)c1nc2c(s1)CCCC2 71896304 GDRVSGBAHNSYNI-BCPZQOPPSA-N 313.426 3.308 0 40 DGAB CCc1cccc(C)c1NC(=O)c1ccc(-n2cccn2)nc1 19910396 AORVNRHYKYBZME-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB COc1c(NC(=O)c2cc(Cl)cc(Cl)c2)c(C)nn1C 71908552 JCPMXUIFJZMSDF-UHFFFAOYSA-N 314.172 3.296 0 40 DGAB C[C@@H](C(=O)NCc1ccc(C(=O)O)o1)c1cc2ccccc2o1 97036061 CZSNDRHADIPNGR-SNVBAGLBSA-N 313.309 3.144 0 40 DGAB O=C(c1cccc2nn[nH]c12)N1CCC(=Cc2ccccc2)CC1 97103927 UKRYVSWBDWKKIH-UHFFFAOYSA-N 318.380 3.278 0 40 DGAB O=C(Nc1ccncc1F)N(Cc1ccco1)C[C@@H]1CCCO1 97135846 HIMCNXJZWSAASC-ZDUSSCGKSA-N 319.336 3.027 0 40 DGAB O=C(N[C@@H]1CCc2cc(Cl)ccc21)c1cnc2ccccn12 84606581 MRJRFHYKVKJBNC-CQSZACIVSA-N 311.772 3.405 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 95420829 AYAJCXGTFNIMLW-KBPBESRZSA-N 320.433 3.008 0 40 DGAB Cc1ccccc1N(CC(=O)O)C(=O)c1cccc(Cl)c1 20230962 NDMHFQQLMFJTKP-UHFFFAOYSA-N 303.745 3.380 0 40 DGAB CC(C)Nc1n[nH]c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 98095647 GOHSSXRXVMRSSY-UHFFFAOYSA-N 318.768 3.183 0 40 DGAB FC(F)c1nnc(N2CCC[C@@H](c3nccs3)C2)s1 95994713 VKPWVNAIESJLKE-SSDOTTSWSA-N 302.375 3.316 0 40 DGAB Cc1ccc(C(=O)N2CCCCC[C@H]2c2ccccc2)c(=O)[nH]1 75120567 RYPVTSZCTHZPNU-KRWDZBQOSA-N 310.397 3.441 0 40 DGAB Cc1ccc(NC(=O)CC(=O)Nc2ccccc2F)c(C)c1 68561705 ZWDXCXCUIHCCOB-UHFFFAOYSA-N 300.333 3.410 0 40 DGAB CCc1ncnc(N2CC(Cc3ccc(F)c(F)c3)C2)c1F 502383240 QKSFJZOJLLJSJX-UHFFFAOYSA-N 307.319 3.135 0 40 DGAB CCOC(=O)c1cc(Br)c(C(F)(F)F)cc1N 39951731 GSOPSTYLPPBIPU-UHFFFAOYSA-N 312.085 3.227 0 40 DGAB CC(=O)c1ccc(OCc2ncnn2CC(C)C)c(Cl)c1 128516898 MNVLOMNGAUWUEI-UHFFFAOYSA-N 307.781 3.369 0 40 DGAB CC(C)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)O)s1 31976128 JAERGXMGHVPZLK-UHFFFAOYSA-N 304.371 3.032 0 40 DGAB CC[C@@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F 180885389 CPZSNSDNYQBBFN-OLZOCXBDSA-N 318.314 3.030 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1C(=O)OCCc1scnc1C 78442173 PXLLNROPXNYWSD-ZIAGYGMSSA-N 317.410 3.350 0 40 DGAB CCc1nc2ccc(NC(=S)N[C@@H](C)COC)cc2s1 225208206 XYWDNMAAIMKBGV-VIFPVBQESA-N 309.460 3.180 0 40 DGAB C[C@@H]1Cc2ccccc2N1CCCNC(=O)NC1CCCCC1 225757882 HKOYBXHKEVISQW-OAHLLOKOSA-N 315.461 3.460 0 40 DGAB CC(F)(F)c1ccccc1NC(=O)N[C@]12C[C@@H]1COC2(C)C 529109968 IFLUQODDRJPHFM-QLJPJBMISA-N 310.344 3.487 0 40 DGAB CCn1cccc1[C@@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222635279 HHTDPHPXFZFVJR-VBNZEHGJSA-N 312.442 3.492 0 40 DGAB CCOc1ccc(NC(=O)[C@@](C)(OC)C2CC2)c2cccnc12 225891988 ISLYLNRXNAZKLG-SFHVURJKSA-N 314.385 3.387 0 40 DGAB CCOc1nccnc1N1CCC(Oc2ccc(C)cc2)CC1 576996744 NBNKAQPUJNFBRL-UHFFFAOYSA-N 313.401 3.232 0 40 DGAB c1ccn(C[C@@H]2CC[C@@H]3[C@@H]2OCCN3Cc2ccsc2)c1 96055346 SARPCIGFHPLUPT-GVDBMIGSSA-N 302.443 3.229 0 40 DGAB Cc1cccc(O[C@H](C)CNC(=O)N[C@H](C)c2nccs2)c1 96439974 JDSLUIYTBYIGKW-CHWSQXEVSA-N 319.430 3.279 0 40 DGAB Cc1cccnc1CNC(=O)NC[C@H](C)Sc1ccccc1 96444026 FYKMPBLJLPNTHX-AWEZNQCLSA-N 315.442 3.370 0 40 DGAB COC[C@H]1CCCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 96460756 DAKGNGHXKLEDRP-CABCVRRESA-N 305.418 3.074 0 40 DGAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)N=c1cc[nH]cc1 580191045 GERDXNWGKPBRMA-GOSISDBHSA-N 313.376 3.272 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@H]3C)CC2=O)cc1 243886210 ROSYSCXPUIENSA-INMHGKMJSA-N 314.429 3.043 0 40 DGAB O=C(Nc1csnc1-c1ccccc1)N1CCC(CO)CC1 585119506 JGPAGFYNCAQKGC-UHFFFAOYSA-N 317.414 3.046 0 40 DGAB NCc1cccc(-c2cccnc2C(=O)NCc2ccccc2)c1 257229693 FZEHSYWJWHBVII-UHFFFAOYSA-N 317.392 3.137 0 40 DGAB OC1(Cc2cccc(Cl)c2Br)CCOCC1 719440099 PWJFUNULMMOXDQ-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1ccc(C(F)(F)F)nc1 575605951 DFIYARCEPRDCPS-UHFFFAOYSA-N 321.302 3.303 0 40 DGAB CCCCc1nnc2sc(-c3ccc(OC)c(OC)c3)nn12 11277992 OIILGWQBPLCPRG-UHFFFAOYSA-N 318.402 3.213 0 40 DGAB CCCCC(=O)Nc1ccc(C(=O)Nc2c(C)n[nH]c2C)cc1 14404523 ZSWUSNQTVPKNNC-UHFFFAOYSA-N 314.389 3.408 0 40 DGAB COc1ccccc1NC(=O)NCCOc1ccc(C)cc1 18177726 IEBHJANZZKZPDC-UHFFFAOYSA-N 300.358 3.204 0 40 DGAB CCCC(=O)N1CCC(c2nnc(-c3ccsc3)o2)CC1 19501177 YPKRRCBAIZIYHC-UHFFFAOYSA-N 305.403 3.304 0 40 DGAB Cc1cc(CN(C)Cc2cnn(-c3ccc(Cl)cc3)c2)n[nH]1 19659105 IKKWOWUBTRGKSA-UHFFFAOYSA-N 315.808 3.189 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1cc2ccccc2oc1=O 5283809 OWXGIGFVLMIAGW-UHFFFAOYSA-N 307.305 3.248 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2F)o1 22246182 VLNNTHJNUDHDEB-WCQYABFASA-N 323.389 3.363 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1 7823690 QTRAUTRGEQRJCK-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CNC(=O)c1ccsc1NC(=O)Cc1ccc(Cl)s1 10061093 VMAFRNKWKXKZCS-UHFFFAOYSA-N 314.819 3.004 0 40 DGAB CN(C(=O)c1cc(OCc2ccccc2)ncn1)c1ccccc1 225533841 DGYXENBKIZIGRP-UHFFFAOYSA-N 319.364 3.332 0 40 DGAB CCCCCC[C@@H](C)NC(=O)CCNC(=O)c1ccccc1 10473911 MFKMZSUBFRQZOA-OAHLLOKOSA-N 304.434 3.282 0 40 DGAB CCCCc1ccc(NC(=O)COc2c(C)[nH]ccc2=O)cc1 40286602 GTKXPOYNNBKGQC-UHFFFAOYSA-N 314.385 3.043 0 40 DGAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(Cl)cc1 31098303 BCFCWQZSPVVDKY-CQSZACIVSA-N 320.776 3.204 0 40 DGAB O=c1c2c3c(sc2n2cnnc2n1C1CCCCC1)CCC3 103014 PZBOKHZASCLWTI-UHFFFAOYSA-N 314.414 3.100 0 40 DGAB CC(C)(C)c1nnc(CSc2nnc(NC3CC3)s2)o1 31845583 HAJXBKFXCAGIDZ-UHFFFAOYSA-N 311.436 3.085 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@H](O)c2ccc(Cl)cc2)o1 32803436 KRQBDABKGFXMIU-HVHJFMEUSA-N 305.761 3.104 0 40 DGAB CC(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 486235 RPDSJMGTMYGAKT-LJQANCHMSA-N 309.365 3.223 0 40 DGAB biogenic COc1ccc2oc(=O)c(C(=O)Nc3ccc(F)cc3)cc2c1 191976 DYPBGLQPWCEBRJ-UHFFFAOYSA-N 313.284 3.193 0 40 DGAB CC(C)C(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1 1358414 QIFRLAMDUQQWQY-UHFFFAOYSA-N 301.321 3.068 0 40 DGAB CSCC[C@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)O 2423681 CZDNGHJADNZLKG-ZDUSSCGKSA-N 310.419 3.138 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)OC(=O)c2cccs2)cc1 3261023 BTMBVJLFXSFCPA-NSHDSACASA-N 303.383 3.495 0 40 DGAB CCOC(=O)NCC(C)(C)N(C(=O)OCC)c1ccccc1 4742539 KKKHTSGQCNCGHX-UHFFFAOYSA-N 308.378 3.174 0 40 DGAB O[C@H]([C@H](O)c1ccccc1)[C@@H](c1ccccc1)N1CCCCC1 4742952 NVPXWDVMTNNNKE-AQNXPRMDSA-N 311.425 3.308 0 40 DGAB C[C@@H](NC(=O)COc1ccccc1F)c1ccc(F)cc1F 5104398 BYABKYXILYIEBP-SNVBAGLBSA-N 309.287 3.360 0 40 DGAB CC(C)c1ccc(Cc2nnc(NC3CCCC3)[nH]c2=O)cc1 5154499 BLGHODYTYOOBJV-UHFFFAOYSA-N 312.417 3.234 0 40 DGAB C[C@H](Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1)C(=O)O 5234689 SIBYGYKKXXTSNV-NSHDSACASA-N 310.305 3.312 0 40 DGAB Cc1ccccc1OCC(=O)Nc1nnc(-c2ccco2)s1 5478615 FVVISQIUNFZYHK-UHFFFAOYSA-N 315.354 3.124 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)NCCC2=CCCCC2)c(C)o1 5992248 RDCJVDWRBYMHFO-AWEZNQCLSA-N 319.401 3.448 0 40 DGAB CCOc1ncccc1C(=O)NCC12CC3CC(CC(C3)C1)C2 6052251 QVDIXTDXFAWNOO-UHFFFAOYSA-N 314.429 3.427 0 40 DGAB CCOc1cc(/C=C/[N+](=O)[O-])cc(Br)c1OC 6656421 FSSGHDBZXXNZHE-SNAWJCMRSA-N 302.124 3.104 0 40 DGAB CCn1c(O)c(C(=O)Nc2ccccc2C)c(=O)c2ccccc21 6830291 PHCSVMOIGVLOIL-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c1 7399689 KYBUKBDVWHCIGU-CQSZACIVSA-N 300.402 3.033 0 40 DGAB CCc1nnsc1C(=O)N[C@H](C)C12CC3CC(CC(C3)C1)C2 8061257 CPWRDTXJIMSJGI-LKBWSCCASA-N 319.474 3.435 0 40 DGAB CCc1ccc(NC(=O)C[C@H](NC(C)=O)c2ccccc2)cc1 8080682 WCBIGRNUNDTYER-SFHVURJKSA-N 310.397 3.455 0 40 DGAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCC1CCCCC1 9545035 PCMWWPPUGFWLDP-AWEZNQCLSA-N 305.418 3.467 0 40 DGAB COc1ccc(CC(=O)Nc2nc(CSC)cs2)cc1 12230167 DYOLRPPGVQWIEZ-UHFFFAOYSA-N 308.428 3.196 0 40 DGAB Cc1nn(Cc2ccccc2)c2nc(C3CC3)cc(C(=O)O)c12 12394561 AMIFSJBVJVHAJY-UHFFFAOYSA-N 307.353 3.364 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2 12953304 UGDANCHJKIALEX-VIFPVBQESA-N 306.362 3.177 0 40 DGAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1cccnc1 13709101 YHKCXURSKINJAZ-CQSZACIVSA-N 306.365 3.319 0 40 DGAB S=C(Cc1nc(-c2ccccc2)cs1)N1CCOCC1 16940179 DUJWYTPXOMGRAP-UHFFFAOYSA-N 304.440 3.012 0 40 DGAB O=C(/C=C\c1ccccc1)NC(=S)Nc1ccccc1F 17024795 RZASLFNSEJLWJO-KHPPLWFESA-N 300.358 3.352 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3cccc(Cl)c3)n2)cc1 19910651 SMJWEKOUVJHWPJ-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1ccc(N2CCN(C[C@H](O)c3ccccc3)CC2)c(C)c1 20218756 BAKDCTRFZZTLJI-FQEVSTJZSA-N 310.441 3.159 0 40 DGAB CC(=O)Nc1ccc(NC(=O)COc2cccc3[nH]ccc23)cc1 20736003 QFXOTDAAMMVCSH-UHFFFAOYSA-N 323.352 3.144 0 40 DGAB CC(=O)COc1ccc2cc(-c3csc(C)n3)c(=O)oc2c1 20761867 TYQJUTWGZCPUGS-UHFFFAOYSA-N 315.350 3.193 0 40 DGAB biogenic Cc1cccc(OCCNC(=O)c2cc(Cl)ccc2O)c1 21929393 IRFOPVGIFDYRJP-UHFFFAOYSA-N 305.761 3.163 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2c2ccc(F)cc2)nc2ccccc12 25443106 YFSWOAJSQDEEKA-QGZVFWFLSA-N 323.371 3.399 0 40 DGAB COc1ccc(Cl)cc1CN(C)C(=O)Cc1c(C)noc1C 25457039 KAWVKMTXSNCRMY-UHFFFAOYSA-N 322.792 3.155 0 40 DGAB COC(=O)N[C@H](Sc1ccc(C)cc1)C(=O)c1ccco1 26688156 ATRPMNQYQCETRS-CQSZACIVSA-N 305.355 3.245 0 40 DGAB Cc1cnc2c(S(=O)(=O)N(CC(C)C)C3CC3)cccc2c1 28043858 KLEOKYUJOYROIY-UHFFFAOYSA-N 318.442 3.352 0 40 DGAB COc1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)c(O)c1 30691744 TXXYPZVCZCAKFC-UHFFFAOYSA-N 305.761 3.326 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 32674919 BQHYVHQTMGGDDD-FQEVSTJZSA-N 322.452 3.137 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 32736164 NXJSQJDHBZCAHH-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB CN(CC(=O)Nc1cccc2c1CCCC2)C(=O)c1ccccc1 32765564 KPEGUFAZIBXPFE-UHFFFAOYSA-N 322.408 3.276 0 40 DGAB O=C(C1CCN(C(=O)C2CCCCC2)CC1)N1CCCCCC1 40465480 OLZDFWYDGGVFIP-UHFFFAOYSA-N 320.477 3.208 0 40 DGAB Cn1c(SCc2noc(-c3cccs3)n2)nnc1C1CC1 40474142 CNTWHGDPOSJEIK-UHFFFAOYSA-N 319.415 3.096 0 40 DGAB CCOC(=O)C1CCN(C(=O)Nc2ccc(Cl)cc2C)CC1 40525613 GQHOAEQKHIMZOK-UHFFFAOYSA-N 324.808 3.455 0 40 DGAB Cc1ccc2cnn(CCC(=O)N(C)Cc3cccs3)c2c1 40759075 JTOIBWBTSKFWRB-UHFFFAOYSA-N 313.426 3.455 0 40 DGAB COc1ccccc1OCC(=O)N1CCSc2ccccc21 41155191 ILZDSBHKTDUCOC-UHFFFAOYSA-N 315.394 3.213 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1 42653880 KSRDRZAJMFVBIS-MDZDMXLPSA-N 317.366 3.106 0 40 DGAB FC(F)Oc1ccc(Cl)cc1CN[C@H]1CCN(C2CC2)C1 44686218 IFZTZYYSALXWKJ-LBPRGKRZSA-N 316.779 3.268 0 40 DGAB CCN(Cc1ccccc1)C(=O)Nc1ccccc1-n1cncn1 44935734 ZQMKVPNYKHHYQM-UHFFFAOYSA-N 321.384 3.321 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)Nc1cccnc1N1CCCC1 47225559 DFYGMKOPMNECPZ-UHFFFAOYSA-N 320.396 3.344 0 40 DGAB COCCOCc1cccc(NC(=O)NC2CCCCC2)c1 47589906 HRBSQAJKOVFDPI-UHFFFAOYSA-N 306.406 3.304 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2ccc(F)c(F)c2)CC1 49076037 KMTMJNWZKOFEMU-UHFFFAOYSA-N 310.388 3.159 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946283 SKNJCQKYLSDHBD-XYJFISCASA-N 321.392 3.121 0 40 DGAB O=C(NC1CC1)[C@@H](NCc1ccc(F)cc1)c1ccc(F)cc1 57554303 QKTNUSXYFWHLQT-KRWDZBQOSA-N 316.351 3.074 0 40 DGAB CC(C)CCNC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 64334394 DHTJZGDTFAJATG-JTQLQIEISA-N 324.475 3.019 0 40 DGAB CC(C)NC(=O)CC1(CC(=O)Nc2nccs2)CCCCC1 65535737 KVSGBOPNACEVOQ-UHFFFAOYSA-N 323.462 3.337 0 40 DGAB Cc1ccncc1NC(=O)c1[nH]nc(C(C)C)c1Br 68396937 PKTQYTUOJOYGLB-UHFFFAOYSA-N 323.194 3.251 0 40 DGAB COCCCNC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 69441007 WCVUNHBUVYHOAF-AWEZNQCLSA-N 320.433 3.042 0 40 DGAB CCO[C@@H](C)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 69483911 BDOPETMSSMTRPM-ZDUSSCGKSA-N 318.442 3.202 0 40 DGAB COC(=O)N1CCCN(C(=O)Nc2ccccc2C(C)C)CC1 69595031 ZNWRBPHDJUZFJQ-UHFFFAOYSA-N 319.405 3.116 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)CCc1ccco1 71847668 CNXZPISNUKNTGC-UHFFFAOYSA-N 301.386 3.358 0 40 DGAB NC(=O)[C@@H](Nc1nc2ccccc2o1)c1ccc(Cl)cc1 71921782 ONNDBCWFYSJWNP-ZDUSSCGKSA-N 301.733 3.120 0 40 DGAB CC[C@@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nc(C)cs1 72274058 YPLPAPFRYDKQEF-GXFFZTMASA-N 321.450 3.005 0 40 DGAB CC[C@@](C)(NCC(=O)Nc1cccc(F)c1)c1nccs1 72684026 BICUDEMMFPIIQU-OAHLLOKOSA-N 307.394 3.136 0 40 DGAB Cc1cc(C)cc([C@@H]2CCCN2C(=O)c2nccn3ccnc23)c1 73676930 HOTNRGUILQIHKP-INIZCTEOSA-N 320.396 3.323 0 40 DGAB CSC[C@@H](CCO)Nc1nc(C(F)F)nc2ccccc12 77236813 VJTGFLZVEJUWAB-SECBINFHSA-N 313.373 3.093 0 40 DGAB COc1ccccc1[C@H](C)SCC(=O)NCc1cccnc1 79008624 UTXLJNOLAUUZFS-ZDUSSCGKSA-N 316.426 3.201 0 40 DGAB Cc1ncccc1C(=O)N[C@H](C)Cc1nc2ccccc2s1 84041705 SDNSSJPXUZIIOP-LLVKDONJSA-N 311.410 3.361 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@@H](C)c3cccs3)C2)n[nH]1 84110129 FZDYMHLZEMKYDX-STQMWFEESA-N 303.431 3.289 0 40 DGAB COc1ccc(CCCC(=O)NCc2cnc(C)s2)cc1F 84586090 NHZDQASMBZWYRH-UHFFFAOYSA-N 322.405 3.238 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)Cc1n[nH]c2ccccc12 84718199 FOYOAYVJKQTNEO-LLVKDONJSA-N 311.410 3.313 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@H](NC(=O)N(C)C(C)C)C1 86400559 WTCXIDUUXUMFMN-HNNXBMFYSA-N 307.413 3.153 0 40 DGAB CC(=O)N1CC[C@@H](NCc2cc3cc(C)ccc3o2)[C@@H](C)C1 89657571 LKLWLNLTMKPMEO-SUMWQHHRSA-N 300.402 3.088 0 40 DGAB O=C(N1C[C@@H]2CCC[C@H]2C1)C1(c2ccc(F)cc2)CCOCC1 89783123 WUQLGAZOLMHBKH-GJZGRUSLSA-N 317.404 3.132 0 40 DGAB Cc1nnsc1C(=O)N(Cc1ccoc1)Cc1cccs1 90612071 STGSOGVVGFVUFK-UHFFFAOYSA-N 319.411 3.344 0 40 DGAB O=C(NCCC1=CCOCC1)N1CCc2ccc(Cl)cc2C1 90620297 OQQPVNMMQALZAX-UHFFFAOYSA-N 320.820 3.145 0 40 DGAB O=Cc1ccc(N2CCC(F)(F)CC2)cc1Br 95081082 TVUGCVVDWRSCMC-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB CC(C)c1nc(C(=O)N2C[C@@H](C)CN(C)c3ccccc32)c[nH]1 95405631 LSIZGXRMYYDEGC-ZDUSSCGKSA-N 312.417 3.266 0 40 DGAB CC[C@H](N)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 95467146 ZQNMRQVXMYYVOA-AWEZNQCLSA-N 314.351 3.149 0 40 DGAB CCOc1ccc(CCC(=O)N(C)C[C@H]2CCCC[C@@H]2O)cc1 95994579 UNSOWTIRCQAAOV-AEFFLSMTSA-N 319.445 3.027 0 40 DGAB CO[C@@H](CNC(=O)CCc1ccccc1)c1ccc(C)s1 96104667 KOYDAJHLVWJSMJ-HNNXBMFYSA-N 303.427 3.493 0 40 DGAB Cn1ccnc1CN1CCSC[C@@H]1c1ccc(Cl)cc1 96407697 OJTJPIQPKXTFCO-CQSZACIVSA-N 307.850 3.364 0 40 DGAB CC(=O)c1csc(C(=O)Nc2ncn(C3CCCCC3)n2)c1 97107861 IOWHWGCYZHUKGR-UHFFFAOYSA-N 318.402 3.300 0 40 DGAB CC(C)n1cc(S(=O)(=O)Nc2c(F)cccc2Cl)cn1 97370554 LHMFOYUGQWQTJL-UHFFFAOYSA-N 317.773 3.057 0 40 DGAB COc1ccc2oc([C@H](C)N[C@H](C)C(=O)NC3CC3)c(C)c2c1 97374480 QUEWSFOEFWUZBN-NWDGAFQWSA-N 316.401 3.068 0 40 DGAB CCOc1ccccc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3=C(C)C)[C@H]2C1=O 102985301 VWCQAZFZWPMLER-RPLLJCPNSA-N 323.392 3.343 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)N[C@H](C)Cc1ccco1 107320327 GLBHHTSHJNGBPQ-KCXAZCMYSA-N 314.385 3.075 0 40 DGAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ncoc1[C@H]1CCCO1 107499107 PNYXGLCAENMAJL-RRFJBIMHSA-N 312.369 3.060 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](C4=C(C)C)[C@H]3C2=O)c1 169682302 TZHHQUNYLQIQEU-LVYXFOGZSA-N 321.376 3.147 0 40 DGAB CCc1c(NC(=O)C2CCOCC2)cnn1-c1cccc(C)c1 192152350 DESXRQCXOGEWKB-UHFFFAOYSA-N 313.401 3.108 0 40 DGAB CCOCc1cc(C(=O)N2CCC(C)CC2)ccc1OCC 224698319 OEOXKZPHZBLDCT-UHFFFAOYSA-N 305.418 3.494 0 40 DGAB CCOc1cccc(CNC(=S)Nc2cccc(C)n2)c1 225441046 WWZYZNGLDWPNKS-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1CC[C@H](c2ccc(F)cc2)C1 225548309 SITPFYZYEFOVIZ-AWEZNQCLSA-N 321.392 3.121 0 40 DGAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)NCc1cccs1 225613453 SEVMKNFSHYAUFL-CQSZACIVSA-N 324.833 3.324 0 40 DGAB C1CCC(O[C@@H]2CCCC[C@H]2N2CCN[C@@H]3CCCC[C@@H]32)C1 225714766 ARUFQWJKFOKKNK-FCGDIQPGSA-N 306.494 3.473 0 40 DGAB CCCC(=O)Nc1cc(Br)c2nc(N)sc2c1 226308778 BMKTXLAFPRSSJW-UHFFFAOYSA-N 314.208 3.380 0 40 DGAB CO[C@H]1C[C@@H]2CN(C(=O)CCc3ccc(Cl)cc3)C[C@@H]2C1 257200255 ACPDHKGDWIPBRI-FOLVSLTJSA-N 307.821 3.156 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2ccc3cc[nH]c3c2)n1 257221006 DNDSRJARPXAFTJ-QGZVFWFLSA-N 307.401 3.337 0 40 DGAB CO[C@@H]1CCCOC12CCN(CCc1ccc(F)cc1)CC2 257250131 JLDHRVMPMYVNNB-QGZVFWFLSA-N 307.409 3.028 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccnc(-c2ccc(C(=O)O)cc2)c1 257314041 UVCVJNOWSXPXKM-KRWDZBQOSA-N 310.353 3.130 0 40 DGAB CNc1cc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)ccn1 257342347 ZOFOFLSQEXWICA-CQSZACIVSA-N 315.442 3.134 0 40 DGAB Clc1cnc(N2CCN(c3ccccc3Cl)CC2)nc1 301490525 MMFUNYMKXUNAFE-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB CCOCc1nn(C2CCCC2)cc1I 408716995 UNGGMFOTMNSHLC-UHFFFAOYSA-N 320.174 3.139 0 40 DGAB CCCCCC1=NN(C(=O)c2ccco2)[C@@](O)(C(F)(F)F)C1 408957777 VWQSLYUTVKNEEN-ZDUSSCGKSA-N 318.295 3.313 0 40 DGAB CCCc1nnsc1C(=O)NCc1ccc(-c2ccoc2)o1 575611871 ZASMLRHKEFJYPN-UHFFFAOYSA-N 317.370 3.274 0 40 DGAB Cn1cc(CN2CCC(=C(F)F)CC2)c(-c2cccnc2)n1 585116996 ONJZDFFGSHDROW-UHFFFAOYSA-N 304.344 3.229 0 40 DGAB CCN1CCC(NC(=O)c2ccc(Cl)o2)(C(F)(F)F)CC1 585124837 VJEXWLNUFDUGTC-UHFFFAOYSA-N 324.730 3.080 0 40 DGAB O=C(c1ccccc1Cl)N1CCCC[C@@H]1CCn1ccnn1 1520808466 SOUFKXNEGDZRSH-CYBMUJFWSA-N 318.808 3.017 0 40 DGAB CCc1nccn1CC1CN(C(=O)[C@@H]2CCCc3ccccc32)C1 1849660264 UTBRILXITNXKQD-GOSISDBHSA-N 323.440 3.024 0 40 DGAB CCOC(=O)Nc1ccccc1N1C(=O)c2ccccc2C1=O 138995 WDSSIYADTGXJML-UHFFFAOYSA-N 310.309 3.056 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cc3ccccc3c(=O)o2)cc1 204838 GKNAGTLUWCFSMB-UHFFFAOYSA-N 307.305 3.248 0 40 DGAB COc1ccc2oc(=O)c(-c3cn4cccc(C)c4n3)cc2c1 244918 VRSAGYSROBKTQH-UHFFFAOYSA-N 306.321 3.425 0 40 DGAB CC(=O)c1cnn(-c2cc(Oc3cccc(C)c3)ncn2)c1C 385174 SLSNJUNUWNBOKA-UHFFFAOYSA-N 308.341 3.274 0 40 DGAB CC(C)(C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780410 VWWOFXHEJGYWES-UHFFFAOYSA-N 322.836 3.107 0 40 DGAB CC(C)(C)c1ccc(NC(=O)c2n[nH]c(=O)c3ccccc23)cc1 2653792 XRDZZQKZJFCBLZ-UHFFFAOYSA-N 321.380 3.473 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 3317161 DYOPVUHBLVGEEL-AWEZNQCLSA-N 309.365 3.130 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 3319544 CPEQXSMAGALLIT-UHFFFAOYSA-N 322.459 3.149 0 40 DGAB CC(=O)CSc1nnc(-c2cccnc2)n1-c1ccccc1C 3430626 XIAQDEHQHUDRTL-UHFFFAOYSA-N 324.409 3.319 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)c1ccc(Cl)cc1 3450981 FHRDFFMFLVAWHF-RISCZKNCSA-N 309.793 3.192 0 40 DGAB CSc1cccc(NC(=O)COC(=O)c2ccc(F)cc2)c1 3567301 ZCAKFKQSSIBCRF-UHFFFAOYSA-N 319.357 3.343 0 40 DGAB COc1cc(CNc2ncc(-c3ccccc3)n2C)ccc1O 4678629 HQXDJJHKJYSFRK-UHFFFAOYSA-N 309.369 3.413 0 40 DGAB COc1ccc(Cl)cc1-c1nnc(S)n1-c1cccnc1 4710613 DVIJLWYHFZSNHE-UHFFFAOYSA-N 318.789 3.280 0 40 DGAB CC(=O)Nc1cccc(NC(=O)Cc2ccc(Cl)cc2)c1 5495555 GBTNTTFRHVHKCH-UHFFFAOYSA-N 302.761 3.480 0 40 DGAB CCOC(=O)c1c(NC(=O)NC(C)C)sc2c1CCCC2 5953173 VTFYJIVYTZRWRK-UHFFFAOYSA-N 310.419 3.334 0 40 DGAB COc1ccc(CC(=O)Nc2nc3c(s2)CCCC3)cc1 6342572 IKOFQQIRJVVNKI-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB CCOC(=O)c1sc(CC(=O)Nc2ccccc2C)nc1C 7844861 FZWDWQCZVOTJOX-UHFFFAOYSA-N 318.398 3.118 0 40 DGAB CCOc1cc(CNCCOC)ccc1OCc1ccccc1 8254634 DGBJDLIXYSLOJG-UHFFFAOYSA-N 315.413 3.400 0 40 DGAB Cc1ccc(NC(=O)c2cccc(C[S@](C)=O)c2)c(C)c1 8265673 LORCDKZTKIMRDS-OAQYLSRUSA-N 301.411 3.434 0 40 DGAB COc1ccc(C)cc1NC(=O)CSc1nc(C)cc(C)n1 9190122 WOMVOWSGKIWXIF-UHFFFAOYSA-N 317.414 3.141 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)cc1F 11497943 UVPGPEGNGXMOSX-CYBMUJFWSA-N 316.307 3.338 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1 12507401 MKNGFVWOCMCEIG-QGZVFWFLSA-N 305.381 3.248 0 40 DGAB CN1CCN(C(=O)CCC2CCCC2)c2nc3ccccc3nc21 12804345 JNECJWLKSCPNAM-UHFFFAOYSA-N 324.428 3.383 0 40 DGAB COc1cccc(NC(=O)N(C)Cc2ccccc2OC)c1 13047951 YWYTUCNEZVDXQD-UHFFFAOYSA-N 300.358 3.368 0 40 DGAB Cc1cnc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)s1 14184511 BJLBICOYDABKRZ-SNVBAGLBSA-N 308.790 3.295 0 40 DGAB COc1ccc(F)cc1S(=O)(=O)Nc1cc(F)ccc1C 20030074 YGJVKNGUZIKMMG-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2cc(C)ccc2OC)c1 20110560 CRBSURLRAWAZHS-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB COc1cc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc(Cl)c1OC 21895271 PCBLLXKHFQJDGG-PHIMTYICSA-N 311.809 3.475 0 40 DGAB Cc1ccc(C(=O)c2ccccc2CN2CCN(C)CC2)c(C)c1 22028186 RPYVZNPOAIFIHW-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB COc1ccc(SCC(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 22521536 KEMKNYHUDSMERR-OUCADQQQSA-N 321.442 3.101 0 40 DGAB COc1ccc([C@H]2CCCN2Cn2ncsc2=S)cc1 24435116 UNFXQKSSRBHVGA-CYBMUJFWSA-N 307.444 3.477 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)n1cc(Br)cn1 28224123 JJVZMTDYDYGGBJ-SNVBAGLBSA-N 308.179 3.154 0 40 DGAB Cc1c(NC(=O)COc2ccc(C(C)(C)C)cc2)cnn1C 28238474 HYLCKPQICHACKZ-UHFFFAOYSA-N 301.390 3.044 0 40 DGAB COC(=O)c1cc(NC(=O)c2ccccc2OC)c(F)cc1F 30820398 LCYDOTOADOGCFR-UHFFFAOYSA-N 321.279 3.012 0 40 DGAB Cc1ccc(/C=C/c2nc(S[C@H]3CCCCC3=O)n[nH]2)o1 31801967 DOPUIOGAEMHFNT-XEHSLEBBSA-N 303.387 3.480 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C(C)C)cc1 32744944 FYNXHSBSGZJITB-LJQANCHMSA-N 324.424 3.450 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc3c(c2)CCC(=O)N3)c(C)c1 32836739 FPBNJSNZVGPUCF-UHFFFAOYSA-N 322.408 3.460 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccncc1 32902261 ZEUHPDVPIMXSGG-SFHVURJKSA-N 305.381 3.469 0 40 DGAB O=C1CC2(CCCCC2)C(=O)N1C[C@@H](O)c1ccc(Cl)cc1 40050613 RUXSZVBJRDPXKS-CQSZACIVSA-N 321.804 3.083 0 40 DGAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCOc2ccccc21 40086136 AWCIBBDUUVQODZ-HNNXBMFYSA-N 322.408 3.253 0 40 DGAB O=C(NCCc1ccsc1)Nc1cccnc1N1CCCC1 40121052 RFGIQJRFNMRXGL-UHFFFAOYSA-N 316.430 3.108 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)NCc2ccc(C)s2)n1 40145403 PTTYBFGTEXJBHO-LLVKDONJSA-N 320.462 3.005 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C 41095314 ZJVDCIWTUJAVQR-DOMZBBRYSA-N 311.447 3.251 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 43589672 ATVFOXAOJXLEMV-QMMMGPOBSA-N 319.188 3.039 0 40 DGAB Cc1csc(CNC(=O)c2cc(C(C)C)n(C(C)(C)C)n2)n1 44966999 PHBXMFNTCOLPKD-UHFFFAOYSA-N 320.462 3.456 0 40 DGAB C[C@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 47751635 OKADMENFHPUXFA-NSHDSACASA-N 324.302 3.400 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccsc1 48323416 VNVQWQHUGPSOTE-HNNXBMFYSA-N 324.409 3.306 0 40 DGAB c1ccc2c(N3CCSCC3)nc(-c3ccncc3)nc2c1 48332705 DNRSMKWTZNCWMJ-UHFFFAOYSA-N 308.410 3.245 0 40 DGAB CC[C@@H]1CCCCN1C(=O)CN1CCC[C@@H]1Cc1ccccc1 48353970 VMZHTWSAQSNGLX-RTBURBONSA-N 314.473 3.485 0 40 DGAB COc1ccc(C(=O)N[C@H]2CCc3c(F)cccc32)cc1OC 55682100 CONXYJHCBXVYKS-HNNXBMFYSA-N 315.344 3.260 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 58367527 LDNXENUZFOQTGP-MRXNPFEDSA-N 303.402 3.067 0 40 DGAB CCCN(CC(F)(F)F)C(=O)c1ccn(-c2ccccc2)n1 59252755 ZHYJUDKSABBXCB-UHFFFAOYSA-N 311.307 3.287 0 40 DGAB c1ccc2c(-c3nnc(SCCn4cccn4)o3)c[nH]c2c1 60533512 QMCHVTOUMQGYKE-UHFFFAOYSA-N 311.370 3.207 0 40 DGAB O=C(NC1CCN(Cc2cccc(F)c2)CC1)c1ccsc1 64991258 ZDDPJKPIRURPKN-UHFFFAOYSA-N 318.417 3.282 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2nccc3ccccc23)cc1 67651072 NUESPIVQJGFDTE-UHFFFAOYSA-N 320.348 3.339 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 69382116 XEJFLIJANKZMNC-IAQYHMDHSA-N 321.336 3.360 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)c1nccc2ccccc12 69417507 RSLZVAZUACULFO-UHFFFAOYSA-N 308.385 3.019 0 40 DGAB CCc1nc(CCNC(=O)N[C@H]2CCCc3occc32)cs1 69568337 NDENNGYCFDJKSM-ZDUSSCGKSA-N 319.430 3.218 0 40 DGAB Cc1nnc([C@@H](C)N2CCC[C@H](CN3CCCCCC3)C2)o1 69660463 NKYGPWKRYICZKR-GDBMZVCRSA-N 306.454 3.027 0 40 DGAB CN(C)c1cccc(C(=O)NCc2csc(C3CC3)n2)c1 69973191 FAEIJQIWDZREJY-UHFFFAOYSA-N 301.415 3.017 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)n1C1CC1 70004697 AJHFXIOTAIPMGE-MRXNPFEDSA-N 312.417 3.114 0 40 DGAB CC[C@@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)CCO1 71186150 QMQVWMAMUJFBCF-SNVBAGLBSA-N 302.296 3.348 0 40 DGAB CCN(C(=O)COC)[C@H](c1ccc(Cl)cc1)c1ccccn1 71903638 OEDKVAKHFKOSRC-QGZVFWFLSA-N 318.804 3.319 0 40 DGAB Cc1cccc(C(=O)N2CCC(Nc3cccc(C)n3)CC2)c1 71909779 YRTLTQXNQZDUPL-UHFFFAOYSA-N 309.413 3.415 0 40 DGAB N[C@H]1C(=O)N(c2ccc(F)cc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227252 PAQYZYLXTHVVGF-ZIAGYGMSSA-N 324.277 3.260 0 40 DGAB Cc1n[nH]c(CN(C)C(=O)Nc2ccc(Cl)c(Cl)c2)n1 72290528 GUCQPOYKBJIXBW-UHFFFAOYSA-N 314.176 3.084 0 40 DGAB C[C@@H]1CN(C(=O)CC2CCCC2)CC[C@@H]1NC(=O)OC(C)(C)C 72293551 MEUHIWPWIBOXLB-HIFRSBDPSA-N 324.465 3.328 0 40 DGAB CCc1cccc(CC)c1NS(=O)(=O)c1c(C)noc1C 72543044 JOBLCZYWFJJCGD-UHFFFAOYSA-N 308.403 3.217 0 40 DGAB O=C(NCc1ccnc2ccccc12)[C@H]1CCOc2ccccc21 75093821 DGJCAUDWUNDUQD-KRWDZBQOSA-N 318.376 3.417 0 40 DGAB COCCN(CC(F)F)C(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1 78796652 SQYPXLFNHLLUCZ-STQMWFEESA-N 317.763 3.184 0 40 DGAB C[C@@H](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)N2C)c1ccccc1 78952280 PLHDCGLDOZTBEA-JQHSSLGASA-N 315.461 3.058 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1cccc(Cl)c1 84714916 JDSSHSRMXBDRBV-WBMJQRKESA-N 306.837 3.077 0 40 DGAB CC(C)(O)[C@@H]1CCCN1C(=O)Nc1ccccc1C(F)(F)F 89761617 OXVMIRXXOADANW-LBPRGKRZSA-N 316.323 3.473 0 40 DGAB COc1ccc2cc(NC(=O)Nc3c(C)n[nH]c3C)ccc2n1 89867945 JNEJUCJJYHAFJZ-UHFFFAOYSA-N 311.345 3.227 0 40 DGAB CC[C@H](OC1CCCCC1)C(=O)NCc1noc(C(C)(C)C)n1 89941890 GEYSYTYVZVSZJI-ZDUSSCGKSA-N 323.437 3.111 0 40 DGAB Cc1ccc([C@@H]2CN(Cc3cnc4c(C)cccn34)CCO2)o1 93864931 DKAPBAVXXVEEOU-KRWDZBQOSA-N 311.385 3.118 0 40 DGAB C[C@@H](CCn1cncn1)NCCc1cc(Cl)cc(Cl)c1 95421061 LAOASOFTEBNNFH-NSHDSACASA-N 313.232 3.196 0 40 DGAB Cc1ccc(NC(=O)N2CC[C@@H](C3CCN(C)CC3)C2)cc1C 95440574 TVGQDWOJUAZDCJ-QGZVFWFLSA-N 315.461 3.499 0 40 DGAB CSC[C@@H](C)N(C)C(=O)c1nc(C)oc1-c1ccccc1 95940030 RQVCDJLKSUMUNS-LLVKDONJSA-N 304.415 3.474 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NCc1nc2ccccc2n1C 95978167 MMTMZEVHAJUWKP-RDTXWAMCSA-N 309.413 3.175 0 40 DGAB Cc1nccn1Cc1ccc(N[C@H]2C[C@@H](C)N(C3CC3)C2)cc1 95980662 LUPJVCDTCUGHGJ-KDOFPFPSSA-N 310.445 3.277 0 40 DGAB Cc1ncc(NS(=O)(=O)c2cccs2)c(C)c1Cl 96182469 KOURTBQNFWTOHL-UHFFFAOYSA-N 302.808 3.214 0 40 DGAB COC[C@H]1CCC2(CCN(Cc3sccc3C)CC2)N1C 96216364 WNUFDSYXDRZLQU-OAHLLOKOSA-N 308.491 3.132 0 40 DGAB COc1cc([C@H](C)NCc2ccc(C)cn2)cc(OC)c1OC 96474675 ZNRDJTQWORJRDL-ZDUSSCGKSA-N 316.401 3.267 0 40 DGAB CS(=O)(=O)CCCNC1(c2cccc(Cl)c2)CCCC1 96492271 LQHZXUQQFIUXRK-UHFFFAOYSA-N 315.866 3.134 0 40 DGAB Cc1nc(CNC(=O)N(c2ccccc2)c2ccccc2)no1 97082779 NVHUDJZYJNLZBV-UHFFFAOYSA-N 308.341 3.426 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1ccc2c(c1)CCCC2 100221887 YXLHJRQJKUYGQR-QMROVXIMSA-N 319.404 3.123 0 40 DGAB COc1ccc(CN2CCN([C@@H]3C[C@@H]4CC[C@@H]3C4)CC2)cc1 101372514 VACDMCFOADTCIC-ZHALLVOQSA-N 300.446 3.001 0 40 DGAB N=C1C(c2nc3ccccc3s2)=C(O)CN1C[C@H]1CCCO1 102744740 DHNHNORBRGPRHZ-SNVBAGLBSA-N 315.398 3.037 0 40 DGAB CC1(C)CC2=Nn3c(nnc3C(F)(F)F)SC2=C(O)C1 104191965 KGNITSWYAMWXDB-UHFFFAOYSA-N 304.297 3.196 0 40 DGAB CC[C@]1(C)Oc2ccc(NC(=O)CCCn3ccnc3)cc2O1 135263909 UXCFJQOAFGKPJR-QGZVFWFLSA-N 315.373 3.199 0 40 DGAB O=C(NCCc1ccccc1)c1cnc(-c2cccc(F)c2)nc1 222619599 WLBYUXFDQRAAAS-UHFFFAOYSA-N 321.355 3.255 0 40 DGAB COc1ccccc1O[C@H](Cc1ccc(C)c(C)c1)C(=O)O 225034290 ZKUREDYLFSVLPE-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc2c(c1)CCCC(=O)N2 227169385 RMGRHMAOYSPPJG-UHFFFAOYSA-N 324.380 3.287 0 40 DGAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 253617230 CWGZMGDCCGJNKL-YWVFQSSISA-N 304.430 3.282 0 40 DGAB O=C(Nc1cccc(F)c1)[C@H]1[C@H](F)[C@H](F)[C@@H](F)[C@H](F)[C@H]1F 254744632 YOXLKZJLOHSSNS-DCHHYWPUSA-N 311.225 3.085 0 40 DGAB CC(=O)NCc1cc([C@@H]2CCCN2Cc2cccs2)ccn1 257231632 GHOSGNHDPKPOCD-KRWDZBQOSA-N 315.442 3.116 0 40 DGAB C[C@@H](C(=O)N1CCC[C@H]1c1ccn[nH]1)c1cn(C)c2ccccc12 287250828 XIQNTAOOARSYAK-ACJLOTCBSA-N 322.412 3.369 0 40 DGAB Cc1ccc(-c2cnc3n2C[C@H]2CN(CC4CC4)C[C@H]2C3)cc1 306140226 UNIZCVOBSDJNGN-QZTJIDSGSA-N 307.441 3.373 0 40 DGAB O=C(O)c1cc(C(F)(F)F)nn1Cc1ccccc1Cl 408717806 VBRQCTYBDOJVRF-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB Cc1ccc(C(=O)NCCc2ccn(-c3ccccc3)n2)c(C)c1 513741800 DFSOPYYAHWDXNR-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB COc1cccc(CC(=O)NCc2ccc(-c3ccco3)o2)c1 575609558 YJORKTMBIWMSCS-UHFFFAOYSA-N 311.337 3.407 0 40 DGAB Cn1ncc(C2CCC2)c1C(=O)NCC1(c2ccccc2)CC1 585100439 WPQKIWBYLHWINS-UHFFFAOYSA-N 309.413 3.149 0 40 DGAB O=C(O)C[C@@H](n1nc(C(F)(F)F)cc1C1CC1)C(F)(F)F 675031079 FDUSDUSOBFRNRN-MRVPVSSYSA-N 316.201 3.357 0 40 DGAB CC(C)Oc1nc2c(Br)cccc2cc1C(=O)O 685937596 STXQITXWNZCYKY-UHFFFAOYSA-N 310.147 3.483 0 40 DGAB CC(C)NC(=O)[C@@H]1c2ccccc2C(=O)N(C)[C@H]1c1ccccc1 1775965813 LCRXNKITGNBIKP-MSOLQXFVSA-N 322.408 3.122 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2nnc(C)c3ccccc23)C1 1889151972 KRPAILAPCWYDHN-HNNXBMFYSA-N 320.396 3.299 0 40 DGAB CN(C)C1(CNC(=O)COc2ccc(Cl)cc2)CCCCC1 11916276 YGQPIEDLOXXPAY-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB O=C1CS[C@@H](c2c(F)cccc2Cl)N1c1nncs1 1587232 QGAKZNGOKIQRDC-JTQLQIEISA-N 315.782 3.109 0 40 DGAB O=C(Cn1ccc2c(Cl)cccc21)NCCc1ccccn1 79493594 GTNZMLWEMIPJPQ-UHFFFAOYSA-N 313.788 3.049 0 40 DGAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)c1cnccn1 53424036 YXOIASVVIDWLQZ-LLVKDONJSA-N 324.409 3.400 0 40 DGAB CCCN(CCC)C(=O)c1ccc2c(c1)NC(=O)CCS2 22705788 BNPIKVHTWSIHGF-UHFFFAOYSA-N 306.431 3.383 0 40 DGAB CCCCNC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 6810799 WMTXRWWUZIFPEZ-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)c1cccc(N(C)C)c1 47188719 MQOBVOAIKOHULV-RHSMWYFYSA-N 304.434 3.078 0 40 DGAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 106062462 BMSUPCCVOMSUQO-GMXVVIOVSA-N 320.820 3.417 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)cc1C 9232472 ZEFOLSMIZGNVDY-HNNXBMFYSA-N 310.397 3.162 0 40 DGAB c1ccc(Cc2noc(CNc3cccc4c3OCCO4)n2)cc1 55893757 NOUBEZQNVCIJPD-UHFFFAOYSA-N 323.352 3.044 0 40 DGAB C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)NC2CCCC2)C1 107340129 PFZHENLRFBQMPE-RHSMWYFYSA-N 301.434 3.064 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)C(=O)C2(Br)Br 100486663 OFAQZCPBQBALHS-MUWHJKNJSA-N 310.029 3.498 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12556383 IXQFLTVYNZMUHL-SFHVURJKSA-N 323.396 3.077 0 40 DGAB COc1ccc(NC(=O)COC(=O)c2cc(C)ccc2C)cc1 3218041 JSOHVQHCYYAWDS-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCCCC[C@@H](C)NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 25348106 ZAKLFBWRRBFMRM-BXUZGUMPSA-N 306.381 3.337 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100629161 NJZBHIAYYLOCJA-GESALYCCSA-N 313.397 3.086 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)Nc1ccc2c(c1)OCO2 20111441 QIOVXWLHQNDEID-LBPRGKRZSA-N 313.353 3.384 0 40 DGAB CCn1cc(NC(=O)c2[nH]c3ccc(F)cc3c2Cl)cn1 58356508 DDSAIMBGQFIIPP-UHFFFAOYSA-N 306.728 3.429 0 40 DGAB O=S(=O)(NC1CCCCC1)c1ccc(-c2ccno2)s1 36353258 NHGSBQLTUUARIN-UHFFFAOYSA-N 312.416 3.014 0 40 DGAB COc1cc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)ccc1C 12759789 SCFQEOBTZLZBKF-GOSISDBHSA-N 324.424 3.133 0 40 DGAB Cc1cnc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)s1 12778299 URCMHTHXWXUEQG-LBPRGKRZSA-N 318.398 3.262 0 40 DGAB O=C(NCc1ccccn1)c1ccc(COCC(F)(F)F)cc1 29517031 PDMVWSFXLGFQBZ-UHFFFAOYSA-N 324.302 3.091 0 40 DGAB COC1CCN(C(=O)c2c(-c3ccc(F)cc3)noc2C)CC1 46182425 PZCNJDVGYLGSGW-UHFFFAOYSA-N 318.348 3.040 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)Sc2nncn2C2CC2)cc1 8749302 HYLPVBSPLMVROE-LLVKDONJSA-N 316.430 3.295 0 40 DGAB CC(C)c1ccc(CCNC(=O)c2cc([C@@H](C)O)c[nH]2)cc1 12809087 NFKTXWVQAJVKHE-CYBMUJFWSA-N 300.402 3.164 0 40 DGAB O=C(COC(=O)CC(c1ccccc1)c1ccccc1)NC1CC1 3444957 WTHZYTCCWIKYJT-UHFFFAOYSA-N 323.392 3.030 0 40 DGAB CC(C)N(Cc1ccccc1)CN1C(=O)C(=O)c2ccccc21 12913720 JETHFLQVESHXRC-UHFFFAOYSA-N 308.381 3.084 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1cc(Cl)ccc1N)NCC2 20458216 OZXRBUUEDMBVAR-QGZVFWFLSA-N 318.804 3.175 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@H]3c3ccccc3)ccc21 71847645 HCPZALIEDJOJLQ-DLBZAZTESA-N 320.392 3.338 0 40 DGAB O=C(NC1CCN(CC2CCCC2)CC1)c1ccc(Cl)nc1 63273143 UWTLXRGCPNMMPN-UHFFFAOYSA-N 321.852 3.119 0 40 DGAB C[C@@]1(CCC(=O)O)C(=O)CC[C@H]2[C@@H]1CC[C@@]1(C)[C@H]2CC[C@@]1(C)O 61895133 UYMHYRPSWIDDSO-FPEHWUGZSA-N 322.445 3.414 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1 5234955 CSDCNFRDBORNOS-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB O=C(Cc1ccccc1F)NCCc1nc2c(s1)CCCC2 65497871 SYDZMKMMVYKARU-UHFFFAOYSA-N 318.417 3.062 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cnn(C(C)(C)C)c1 65536358 VMQJNRZLSWDYBS-UHFFFAOYSA-N 324.384 3.249 0 40 DGAB C[C@H]1c2cc3c(cc2CCN1C(=O)c1ccco1)OCCCO3 5389246 UCTGYAKJQLGWPC-LBPRGKRZSA-N 313.353 3.200 0 40 DGAB Cc1cc(-c2cc(C(=O)NC3CC3)c3c(C)noc3n2)c(C)o1 14263049 RHBQVXDMVSGEDI-UHFFFAOYSA-N 311.341 3.300 0 40 DGAB O=C(COC(=O)c1n[nH]c2ccccc12)c1c[nH]c2ccccc12 4823063 SZTJJLYAVPKICW-UHFFFAOYSA-N 319.320 3.084 0 40 DGAB Cn1cc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c(C(F)(F)F)c1 96006712 DMICFMROWQJBNF-GWCFXTLKSA-N 300.324 3.449 0 40 DGAB CCN1C(=O)[C@H](Cc2cc(OC)ccc2OC)c2ccccc21 15018165 NMQUVTACCQRELS-MRXNPFEDSA-N 311.381 3.397 0 40 DGAB CC(C)c1ccc(CSc2nnc(C(F)(F)F)n2N)cc1 4996298 BPTWIXYGWIWBBR-UHFFFAOYSA-N 316.352 3.426 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 7474893 YDLOTMHVZNJNDW-SFHVURJKSA-N 313.328 3.244 0 40 DGAB Cc1cc(C(=O)Nc2nnc(-c3cccc(Cl)c3)s2)on1 68011287 LCADRRMIMBEUCF-UHFFFAOYSA-N 320.761 3.407 0 40 DGAB NC(=O)c1ccc(OCc2csc(-c3ccccc3)n2)cc1 7509785 GCMLCCALJVVXSC-UHFFFAOYSA-N 310.378 3.488 0 40 DGAB CS(=O)(=O)N(Cc1ccccc1)c1ccc(Cl)cc1F 7777241 PWUYEQKDIZVWLA-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C)Cc1cccs1 7846379 WGOYWPOGTMFZMN-UHFFFAOYSA-N 304.415 3.136 0 40 DGAB COC(=O)c1cc(OC)c(OC)cc1NCc1cccc(F)c1 8162687 AZYAUFKAZMQSPU-UHFFFAOYSA-N 319.332 3.242 0 40 DGAB Cc1cccc2[nH]cc(CCNC(=O)N(C)Cc3ccncc3)c12 71799693 ZFPFMOAECLWJMS-UHFFFAOYSA-N 322.412 3.255 0 40 DGAB O=C(NC1CC1)[C@@H](Sc1ncc2ccccn12)c1ccccc1 17727382 CUFNVDVEPZCWPA-INIZCTEOSA-N 323.421 3.446 0 40 DGAB CC(C)(C(=O)Nc1ccc2c(c1)CC(=O)N2)c1ccc(F)cc1 71905224 JHOZVMGZAYYAPV-UHFFFAOYSA-N 312.344 3.237 0 40 DGAB O[C@@]1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl 8775303 FTRQKNOKNVOAOI-HNNXBMFYSA-N 308.164 3.440 0 40 DGAB Cc1cccc2nc(C(=O)O[C@@H]3[C@H]4CCCO[C@@H]4C3(C)C)cn12 97212694 DVBVYLFXVGHCCS-VBNZEHGJSA-N 314.385 3.003 0 40 DGAB COc1ccc([C@@H](C)NCc2cnccc2N(C)C)cc1F 97049525 KCSZFLRNUYXPSY-GFCCVEGCSA-N 303.381 3.146 0 40 DGAB COc1ccc(Cl)c(NC(=O)N2CCC[C@@H]2C(C)(C)O)c1 97047277 MITNAKNXNCNYIY-CYBMUJFWSA-N 312.797 3.116 0 40 DGAB C[C@@H]1CN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC[C@H]1C 97165525 UHVBEMYTDZSHMM-KFWWJZLASA-N 324.465 3.138 0 40 DGAB CCC(=O)N1CC[C@@H](N[C@@H]2CCCOc3c(C)cc(C)cc32)C1 95423903 CDYGFJSTHIBSMY-NVXWUHKLSA-N 316.445 3.118 0 40 DGAB Cc1cccn2c(CN[C@@H](C)C[C@H](O)c3cccs3)cnc12 95448915 ZNFYZMLMVXJKMT-ZFWWWQNUSA-N 315.442 3.306 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C(=O)OC(C)(C)C)C2)c(C)o1 95944414 VJVZBJIATONBKF-CYBMUJFWSA-N 307.390 3.090 0 40 DGAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1occc1-c1ccccc1 95977764 IIQKYNVFLWUSGC-ZWKOTPCHSA-N 319.360 3.335 0 40 DGAB CS[C@H]1CCC[C@@H](NC2CCN(C(=O)C(C)(C)C)CC2)C1 95961915 IGAVZSWEJVOTJB-CABCVRRESA-N 312.523 3.287 0 40 DGAB CC(C)c1cc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)n(C)n1 95969673 WNBOKHAPISBMJK-UHFFFAOYSA-N 321.764 3.147 0 40 DGAB CC(=O)c1ccc(CNC(=O)CCc2cc(C)cc(C)c2)nc1C 95992202 KLDKLBFKUDEOAD-UHFFFAOYSA-N 324.424 3.458 0 40 DGAB O=C(CCCNCc1ccc(Cl)c2cccnc12)NC1CC1 89807724 PYIGUKYHSUVLOJ-UHFFFAOYSA-N 317.820 3.037 0 40 DGAB O=C(CCOC1CCOCC1)N(CC1CC1)C1CCCCC1 89818362 PTYXFWFHRQITBD-UHFFFAOYSA-N 309.450 3.143 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)Cc1c(F)cccc1F 89894941 LBCNIQZRVWXBOT-SJCJKPOMSA-N 319.351 3.136 0 40 DGAB CCN(Cc1cccs1)S(=O)(=O)c1ccc2c(c1)CCC2 32724490 BWILRWAKUYEAKK-UHFFFAOYSA-N 321.467 3.448 0 40 DGAB CCCCc1nnc(SCC(=O)OCC)n1-c1ccccc1 36644156 BDPDZYUEWCBJLK-UHFFFAOYSA-N 319.430 3.265 0 40 DGAB O=C1NCc2ccc(OCCCOc3ccc(Cl)cc3)cc21 530489577 ZWTPKOTXFVZLFW-UHFFFAOYSA-N 317.772 3.431 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)Nc2cnn(C)c2)c(Cl)c1 186173680 PEOCTNATILRPFZ-NSHDSACASA-N 306.797 3.129 0 40 DGAB Cc1ccc2nc(SCC(N)=O)nc(-c3ccccc3)c2c1 72333658 DKEHTVKRVPVZED-UHFFFAOYSA-N 309.394 3.183 0 40 DGAB COc1cc(C2(C(=O)N(C)Cc3cscn3)CC2)ccc1C 79333276 BDVSGADJESSBKT-UHFFFAOYSA-N 316.426 3.150 0 40 DGAB CN(C)C(=O)c1cccc(COc2ccc3c(c2)CCC3=O)c1 186855935 YECWEWRXYNWHOL-UHFFFAOYSA-N 309.365 3.096 0 40 DGAB CCc1noc(-c2ccccc2NC(=O)COc2ccccc2)n1 33012696 WQCJLDBTYSETLY-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1cc2nc(C(C)C)cc(NCc3cnn4ccccc34)n2n1 72475188 NRUUIYOGDLSZSR-UHFFFAOYSA-N 320.400 3.421 0 40 DGAB COc1ccnc(COC(=O)c2ncoc2-c2ccc(C)cc2)c1 76913846 VRUKUSNIMBOOKU-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB CC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3C)n2)C1 72361752 RVKOQTPMSKUJKD-OAHLLOKOSA-N 311.385 3.303 0 40 DGAB C[C@@]1(c2ccccc2)CCCN(C(=O)NCc2nccs2)C1 79098483 WGZDQRAYXYTXGH-QGZVFWFLSA-N 315.442 3.406 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)[C@@H](C(=O)O)c1cccnc1 568061873 UZBRASJQHSZSSU-CQSZACIVSA-N 324.302 3.358 0 40 DGAB COCc1cc(C(=O)N[C@H](C)c2ccc(F)cc2)ccc1OC 224404090 JGLFYGGMJLTQMU-GFCCVEGCSA-N 317.360 3.472 0 40 DGAB Cc1cc(Br)ccc1SCC(=O)NCC1CC1 48324530 AFEQBHFSNZCVBG-UHFFFAOYSA-N 314.248 3.376 0 40 DGAB CC(C)CSc1nnc(NC(=O)COc2ccccc2)s1 225300325 XYBBAQWJDAMJIK-UHFFFAOYSA-N 323.443 3.304 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 44947212 AQQXBLVHJPTLKT-HNNXBMFYSA-N 303.427 3.484 0 40 DGAB CNCC(=O)Nc1ccc(Sc2ccc(OC)cc2)cc1 195543416 BKRUMMJGSSZYKC-UHFFFAOYSA-N 302.399 3.004 0 40 DGAB O=C(c1ccc(F)c(F)c1)N(CC(F)(F)F)C1CCOCC1 75166614 ACHSVIMKNLRXKY-UHFFFAOYSA-N 323.261 3.148 0 40 DGAB Nc1ncc(-c2nc(-c3ccccc3OC(F)F)no2)s1 89263079 HJYMZOGIVDPOBL-UHFFFAOYSA-N 310.285 3.044 0 40 DGAB COc1cccc(OCCNC(=O)CCc2ccc(C)cc2)c1 46736297 PBDQMASCRYJORN-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCOc1ccc(C(=O)CCC(=O)NC2CCCCC2)cc1 40159886 CMQAGUMLGLCHOY-UHFFFAOYSA-N 303.402 3.497 0 40 DGAB CCC[C@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225272444 VVTQDRPCFGVLIH-LBPRGKRZSA-N 311.447 3.041 0 40 DGAB O=C1C[C@@H](c2nc(-c3cc4ccccc4o3)no2)CN1CC1CC1 88337976 RQEZZWMISWNPDR-CYBMUJFWSA-N 323.352 3.209 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@@H](C)CC 223081215 CINNGCPKEZWWNM-STQMWFEESA-N 324.852 3.382 0 40 DGAB C[C@@H](OC(=O)c1ccc(Br)o1)c1nccs1 80333830 XQHXQJMXKXOBGW-ZCFIWIBFSA-N 302.149 3.417 0 40 DGAB Cc1csc(C(=O)N[C@@H](c2cccnc2)C2CCOCC2)c1 225617026 UADHVFHDDSLQTB-MRXNPFEDSA-N 316.426 3.349 0 40 DGAB COc1ccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)cc1 226754391 AIESGOINNVUAPK-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CN(C)[C@@H]1CCO[C@]2(CCN(Cc3ccccc3Cl)C2)C1 96205885 OBXXTYYJBSXFKD-NVXWUHKLSA-N 308.853 3.025 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCSCC3)cc2)o1 96422404 ZSPNGYFJQJAKNY-UHFFFAOYSA-N 302.399 3.394 0 40 DGAB CC(C)n1ccnc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257209456 BQKZMEPUQOCHLP-HNNXBMFYSA-N 324.432 3.115 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@H](Cc3ccccn3)C2)on1 257337392 YSPNNERVUFADSH-CQSZACIVSA-N 313.401 3.288 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)C[C@H](N[C@@H](C)c1nccn1C)CC3 378496068 LNAMIWJARIXPEV-UONOGXRCSA-N 308.429 3.418 0 40 DGAB COc1cccc2c1CN(C(=O)[C@@](C)(CC(=O)O)CC(C)C)C2 634939084 AHRHVVQUYQIGPT-GOSISDBHSA-N 319.401 3.065 0 40 DGAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3cccs3)C[C@@H]21 585110026 WAXZWJVSGRHINM-WCQYABFASA-N 313.426 3.073 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1[C@@H]1N=C(O)[C@H]2CCCCN12 71967911 JTWHUIWPKYVNNU-SJLPKXTDSA-N 324.428 3.371 0 40 DGAB CCC[C@@H](C)NC(=O)C[C@@H]1c2ccccc2C=CN1C(C)=O 51203795 PEHPPYWMBDWDDM-CXAGYDPISA-N 300.402 3.255 0 40 DGAB OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sccc12 84590549 RRDLEHFIKPWJAZ-GFCCVEGCSA-N 324.409 3.188 0 40 DGAB Cc1ccc(CC(=O)N2Cc3ccccc3N(C)C[C@H]2C)s1 81613551 KSZITEIJXBAROZ-CYBMUJFWSA-N 314.454 3.466 0 40 DGAB COCc1c(Br)cccc1NC(=O)[C@H](C)SC 69590107 RCLQXMSGIXFIJL-QMMMGPOBSA-N 318.236 3.286 0 40 DGAB O=C(Nc1ccc(Cl)cc1Cl)N1CCC(CO)CC1 96441313 OTUFYPOZKAHCCO-UHFFFAOYSA-N 303.189 3.230 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Oc1ccccc1 5604008 DWDQNDZDHDSIBF-MRXNPFEDSA-N 310.353 3.289 0 40 DGAB CCN1C(=O)N[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OC)=C1C 12949024 AANULVDJFJXXOF-INIZCTEOSA-N 316.401 3.343 0 40 DGAB O=C(C1CCC1)N1CCC[C@H]1c1nnc(-c2ccsc2)o1 19406752 JCJPHUQPUUFRGH-LBPRGKRZSA-N 303.387 3.262 0 40 DGAB CC[C@@H](NC(=O)c1cc(-c2ccccn2)n[nH]1)c1ccc(F)cc1 19500429 QOBMZEBTSGONKG-CQSZACIVSA-N 324.359 3.492 0 40 DGAB COc1cccc(-c2cc(CNC(=O)c3cccs3)no2)c1 11613514 QCPUHHFJCVPBQY-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cn1/c(=N/C(=O)C2CC2)sc2cc(Cl)cc(Cl)c21 100908909 PMXBVVHRAMKKIX-QINSGFPZSA-N 301.198 3.384 0 40 DGAB O=C(NCCc1ccc(F)cc1)c1ccc(Cn2ccnc2)cc1 38489113 PJLJKPXVJGRDHU-UHFFFAOYSA-N 323.371 3.043 0 40 DGAB CCOc1cc(C=O)ccc1OCc1cccc(C(=O)O)c1 45221765 SCWOBMTVLWFJSW-UHFFFAOYSA-N 300.310 3.175 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCNC(=O)Nc1nnc(C2CC2)s1 40105501 XIATYTRNVGPZNN-PWSUYJOCSA-N 324.450 3.132 0 40 DGAB COCCNc1nc(C)c(C(=O)NCCC2=CCCCC2)s1 40283602 WTIPQIVZMPANQO-UHFFFAOYSA-N 323.462 3.130 0 40 DGAB CC(C)(C)c1cn2nc(NC3CCN(C4CC4)CC3)sc2n1 40493218 AEGKXTDKUBZHEN-UHFFFAOYSA-N 319.478 3.127 0 40 DGAB CCc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2)cc1 133757 KEKHECJAJOKIAD-UHFFFAOYSA-N 316.368 3.282 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CCn1c(=O)sc2ccccc21 245880 WAJXCAKTLUJXNW-QWHCGFSZSA-N 318.442 3.148 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC(c3ccncc3)CC2)cc1 21114876 HNJFPCZZJQZROZ-UHFFFAOYSA-N 309.413 3.167 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ncccc2CC)cc1 83827793 WMSPDCZPCCLMME-UHFFFAOYSA-N 312.369 3.254 0 40 DGAB CCN(C(=O)c1ccccn1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69744776 KZBYAZPOTCUKDD-FUHWJXTLSA-N 323.440 3.379 0 40 DGAB O=C(C[C@@H]1OCCc2ccccc21)Nc1c(O)cccc1F 76083459 ZQPBKTIVJGUIKD-HNNXBMFYSA-N 301.317 3.174 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)OCc1cc[n+]([O-])cc1 1732022 AMUUIGMIIODRIJ-UHFFFAOYSA-N 313.140 3.376 0 40 DGAB C[C@@H]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 78651250 LMUBWYKQAOSWSA-BDJLRTHQSA-N 322.355 3.106 0 40 DGAB COc1ccc(Cn2cnc3c([nH]c4ccc(C)cc43)c2=O)cc1 506328 ZFCUTLISRICFTN-UHFFFAOYSA-N 319.364 3.243 0 40 DGAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@H]2C1 103121223 KGZGAVOSMRBVRK-SWHYSGLUSA-N 306.793 3.131 0 40 DGAB COc1cccc(N[C@@H]2SC(=O)N(c3ccccc3)C2=O)c1 4168934 GRCDDKPFKUODAG-CQSZACIVSA-N 314.366 3.333 0 40 DGAB aggregator Cc1nn(C)c2nc(C(C)C)cc(C(=O)N[C@@H](C)C(C)C)c12 22506207 MBYPTSYPBTYIHT-NSHDSACASA-N 302.422 3.174 0 40 DGAB O=C(/C=C/c1ccccc1F)Oc1ccc(-c2nnco2)cc1 7779874 WKQAENROPQTGMS-JXMROGBWSA-N 310.284 3.495 0 40 DGAB CCN(CC)C(=O)c1cc(C)cc(Br)c1OC 57339322 GSKVLXXDRNYDIO-UHFFFAOYSA-N 300.196 3.248 0 40 DGAB CCc1ccc([C@@H]2CC(=O)Nc3cc4c(cc32)OCCO4)cc1 816181 GHKIJUYDSCXLEB-AWEZNQCLSA-N 309.365 3.494 0 40 DGAB CC[C@H](CO)NCc1ccccc1OCc1ccccc1F 8337146 FLBPBBLGPXHSPS-MRXNPFEDSA-N 303.377 3.265 0 40 DGAB CCCCc1ccc(NC(=O)CN2CCCCCC2=O)cc1 23694864 NNPZLWBEYNVOML-UHFFFAOYSA-N 302.418 3.370 0 40 DGAB O=C(Cc1cccc2cccnc12)N(Cc1ccccn1)C1CC1 54814934 OQWLKDDJADEWSO-UHFFFAOYSA-N 317.392 3.364 0 40 DGAB Cc1cc(C(=O)NCCN2CCC(C)CC2)c2ccccc2n1 54779497 PNRKQDIQOKRLRL-UHFFFAOYSA-N 311.429 3.005 0 40 DGAB CC/N=c1/scc(-c2ccc3c(c2)CCC(=O)N3)n1CC 105681238 RCRBXXZRMYPXJY-WUKNDPDISA-N 301.415 3.042 0 40 DGAB C[C@@H](c1ccccc1)[C@@H](CC(=O)NC1CCCCC1)C(=O)O 35142221 KBHOYRFPYOFLLH-XJKSGUPXSA-N 303.402 3.330 0 40 DGAB COc1cc(CCC(=O)O)cc(OC)c1OCc1ccccc1 107714252 RIJAEOJDFQOGFD-UHFFFAOYSA-N 316.353 3.300 0 40 DGAB Cc1ccc(Nc2n[nH]c(N)c2NC(=O)c2ccccc2)cc1 35671244 GPRCLJBPOBRSNF-UHFFFAOYSA-N 307.357 3.296 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C)c2nc(C(C)(C)C)no2)cc1 26982147 GPFZKMBNESUWNX-SNVBAGLBSA-N 302.378 3.499 0 40 DGAB CN(CCOc1ccccc1)C(=O)c1ccc(-n2ccnc2)cc1 24050017 HFJXIPOABXZYJC-UHFFFAOYSA-N 321.380 3.023 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)N[C@@H]1CCN(C2CC2)C1 58203326 OMSGXFAXDSMBIV-SNVBAGLBSA-N 313.323 3.064 0 40 DGAB O=C(NCc1ccccc1)NCc1cc(-c2ccccc2)on1 58226238 SCDYTCPSTUJEBR-UHFFFAOYSA-N 307.353 3.341 0 40 DGAB O=C(NC[C@H]1C[C@H]2C=C[C@@H]1C2)c1snnc1-c1ccccc1 170610785 HTNFDZYPJCNEPI-IACUBPJLSA-N 311.410 3.147 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCCCn1cccn1 44968423 WHOZQIIGUJKLCF-CQSZACIVSA-N 318.446 3.054 0 40 DGAB CON(C)C(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 58380890 FFYLZKAOZBVFSC-UHFFFAOYSA-N 306.387 3.231 0 40 DGAB Cc1ccc(OCCC(=O)NC2CCN(C(C)C)CC2)cc1C 45055194 IYIBFNHTKKZAOF-UHFFFAOYSA-N 318.461 3.061 0 40 DGAB CC(=O)N(C)Cc1cccc(NC(=O)N(C)CC2CCCC2)c1 58422204 BJFKRZZNWOUQKR-UHFFFAOYSA-N 317.433 3.319 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)c2ccc(F)cc2)cc1C 58439664 QJRBVYUHMFJXPY-UHFFFAOYSA-N 306.358 3.099 0 40 DGAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1cccc(Cl)c1 101276719 HQIJGIQJEVPHFM-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB Cc1noc(C)c1C(=O)NCCOc1ccc2ccccc2c1 10993681 VMPAKRFOPLVQDM-UHFFFAOYSA-N 310.353 3.253 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](n2ccnc2)C1 69901846 OZKVIBCQWCHVST-AWEZNQCLSA-N 315.442 3.301 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1c1ncnc2ccccc12 11246752 CBISPTHCSGGXLM-QGZVFWFLSA-N 318.380 3.237 0 40 DGAB CCn1c(C)cc(C(=O)N2CCC[C@@H](n3ccnc3C)C2)c1C 69976365 VCAUEEMESQCZTC-MRXNPFEDSA-N 314.433 3.107 0 40 DGAB Cc1ccc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)o1 3344536 BFOJLICYBLTOFP-CQSZACIVSA-N 302.374 3.138 0 40 DGAB COCCNC(=S)N(Cc1ccccc1)Cc1ccccc1 3398359 GHJNYJOKCXEDDF-UHFFFAOYSA-N 314.454 3.210 0 40 DGAB Cc1noc(C)c1CNC(=O)[C@H](C)Oc1cccc(Cl)c1 60064118 LWCDRZDROJXKLF-NSHDSACASA-N 308.765 3.029 0 40 DGAB CC(=O)N[C@H](CC(=O)N1CCCCCCC1)c1ccccc1 60388354 ZHJBPLLYHRASKP-QGZVFWFLSA-N 302.418 3.047 0 40 DGAB COc1ccc(O)c(C(=O)c2cnn(-c3cc(C)cc(C)c3)c2)c1 12815491 CUJNOWBQJBUSJD-UHFFFAOYSA-N 322.364 3.434 0 40 DGAB COc1ccc(C(=O)Nc2ccc3oc(C)nc3c2)c(OC)c1 12994713 DJQJOIMSEDKYMQ-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB Cc1cc(CSc2ncnc3c2cnn3-c2ccccc2)no1 8777149 CFCVFENRHNBNQP-UHFFFAOYSA-N 323.381 3.404 0 40 DGAB Cc1ccccc1OCC(=O)Nc1nonc1-c1ccccc1 8868587 GUWLNEABGBDXKN-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Fc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1 9532236 RPXULNJAONCZSU-UHFFFAOYSA-N 309.304 3.160 0 40 DGAB COc1cccc(C2=NO[C@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 5029585 GEBTVPGQETWCRB-ACJLOTCBSA-N 324.380 3.066 0 40 DGAB Cc1ccccc1-n1ncc2c1ncn1nc(-c3ccco3)nc21 5244970 NYWKSQNSTUJKOQ-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB CSc1ncc(C(=O)Nc2ccccn2)n1-c1ccccc1 9119138 UFZMWVIHOHTPBT-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cc2c(s1)CCC2 14138984 OAGUAGFMWKXRJJ-UHFFFAOYSA-N 315.394 3.238 0 40 DGAB C[C@H](Oc1cccc(F)c1)C(=O)Nc1ccc2c(c1)OCCO2 9217778 XAKSZZIIVFWRQO-NSHDSACASA-N 317.316 3.003 0 40 DGAB COc1ccc(CN[C@H]2CCCc3cn(C(C)C)nc32)cc1O 96002633 CTEUJZYDNYWRNT-HNNXBMFYSA-N 315.417 3.345 0 40 DGAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)c1c[nH]c2ccccc12 5755027 CMOGPSIOINGZJP-LLVKDONJSA-N 309.321 3.302 0 40 DGAB CC(C)CNC(=O)N1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 67454964 ZRJHOIYAYNFZBS-INIZCTEOSA-N 324.852 3.451 0 40 DGAB Cc1cc(C)cc(OCCn2cnc3sccc3c2=O)c1 7495009 WVKGLZARQOVKQN-UHFFFAOYSA-N 300.383 3.154 0 40 DGAB NC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 9314907 TUOGNZFJAAUFHG-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB COc1ccc(NC(=O)CCc2nc3ccccc3s2)cn1 8019395 WBNNCQKYPQVNMS-UHFFFAOYSA-N 313.382 3.271 0 40 DGAB CCc1ccccc1Nc1nnc(Cc2ccccc2)c(O)n1 16806821 UTZBQXNPPBZYCK-UHFFFAOYSA-N 306.369 3.474 0 40 DGAB Cc1cc(C)nc(-n2[nH]c(-c3ccc4ccccc4c3)cc2=O)n1 17057667 HPMVGUYRSMUENE-UHFFFAOYSA-N 316.364 3.393 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2c[nH]nc2-c2ccccc2)c1 69453447 MTYWYQPPLLJYOD-GJZGRUSLSA-N 309.417 3.321 0 40 DGAB CC[C@@H](C)C[C@@H](C)NC(=O)Nc1cnn(CC(F)(F)F)c1 96435021 PHAOTOPUMYDOIQ-NXEZZACHSA-N 306.332 3.392 0 40 DGAB COc1ccc(OCC(=O)NC2CCCCCC2)c(C(C)=O)c1 21025231 AARPKLCGAKQTGN-UHFFFAOYSA-N 319.401 3.116 0 40 DGAB CCc1cccc(NC(=O)[C@H]2CN(C(C)=O)c3ccccc3O2)c1 9721522 IQHNBHNQDIUQDO-GOSISDBHSA-N 324.380 3.002 0 40 DGAB C[C@@H]1CN(Cc2nnsc2Cl)C[C@H](c2ccsc2)O1 97227883 CSNUTGJTBWQENK-LDYMZIIASA-N 315.851 3.215 0 40 DGAB CCCNc1ccc(Cl)cc1NC(=O)c1ccc(=O)n(C)c1 97048417 KKDDDDMQQWOBAA-UHFFFAOYSA-N 319.792 3.113 0 40 DGAB COc1ccc(C)c(NC(=O)N(CCO)C2CCCCC2)c1 97049413 ITMVZNISHWRIIH-UHFFFAOYSA-N 306.406 3.163 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@H]1C[C@@H](O)c1ccco1 84553147 CRENNGCUHUJRJR-LSDHHAIUSA-N 300.358 3.400 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)Nc2nccs2)o1 97147923 IVFZZNVXUSRRLH-LLVKDONJSA-N 307.375 3.252 0 40 DGAB c1cnc(-n2cccn2)c(CNCc2cccc3cccnc23)c1 95350104 WSJDFDWHLQSLAA-UHFFFAOYSA-N 315.380 3.105 0 40 DGAB CC(C)c1nnc(CSc2nc(O)c3ccccc3n2)o1 95426064 ABHUMGYGMYGIAS-UHFFFAOYSA-N 302.359 3.134 0 40 DGAB CCOC(=O)c1nc(CC)oc1NC(=O)c1cccc(Cl)c1 95446979 CUGHKTFMKZPATH-UHFFFAOYSA-N 322.748 3.319 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1ccccc1-n1cccn1 95956212 CEBXRFYOPHKNIA-UHFFFAOYSA-N 324.384 3.222 0 40 DGAB COc1c(Cl)cccc1NC(=O)NCCc1ccncc1 89420693 PRZNWQUMVKHXMX-UHFFFAOYSA-N 305.765 3.108 0 40 DGAB Cc1cc(CC(=O)N2CCCC[C@H]2c2cc3ccccc3[nH]2)n[nH]1 89599100 XCPGMGVQKLOPMJ-SFHVURJKSA-N 322.412 3.496 0 40 DGAB CN(C(=O)c1ccc2c(c1)[nH]c(=O)n2C)C1CCCCCCC1 89745614 QIKVAMQEVQDZMS-UHFFFAOYSA-N 315.417 3.052 0 40 DGAB O=C(NCc1cccnc1)Nc1ccccc1Br 43133693 VFMZPQVEVNQHCB-UHFFFAOYSA-N 306.163 3.166 0 40 DGAB CCn1nc(C)c2cc(C(=O)Nc3cccc(OC)c3)c(C)nc21 32642714 RWKAYADJZGXKTP-UHFFFAOYSA-N 324.384 3.329 0 40 DGAB Nc1ccccc1-c1noc(SCC(=O)c2ccccc2)n1 35682852 RUQHBDFJRLMERJ-UHFFFAOYSA-N 311.366 3.294 0 40 DGAB CCC[C@H](C1CCCC1)[C@H](CO)C(=O)NOCc1ccccc1 71613942 QPDKASXKBXBPMB-MSOLQXFVSA-N 319.445 3.449 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccccc2F)cc1OC 30866130 JYHFSIVGYYWFHD-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB Cc1cccc(C(=O)c2ccccc2CN2CCOCC2)c1C 43211449 TTYJLSFASXIQNW-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB COc1cccc(O[C@@H](Cc2ccc(C)cc2C)C(=O)O)c1 225026077 AMOKDCVSHFVYHK-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CCCOc1ccc(NC(=O)C2(OCC)CCCC2)c(C)n1 225898492 PTLARFNYLIQDNE-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB Cc1cc(C)cc(NC(=O)NCCCN(C)CC(F)(F)F)c1 45958410 IDNFGPROAHMHRO-UHFFFAOYSA-N 317.355 3.309 0 40 DGAB COc1ccc(NC(=S)NCCCc2cccc(C)c2)cn1 225394404 PYDICFRUZCUEQP-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB Cc1cccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)n1 225731764 UYGHSBNXHZUJRS-OKILXGFUSA-N 320.506 3.044 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1cccs1)[C@@H]2C(=O)O 222430163 OBPHHSJTTNHASM-DDHJSBNISA-N 319.426 3.058 0 40 DGAB CCc1oc2ccccc2c1C(=O)N1CCC(CCN)CC1 1578336560 UDQOJWPFERFFBB-UHFFFAOYSA-N 300.402 3.196 0 40 DGAB Cc1ccnc(N2CCC(NC(=O)CC3CCCC3)CC2)c1 225594319 IRVLPTWMBBHPAV-UHFFFAOYSA-N 301.434 3.055 0 40 DGAB Cc1cc(N2CCN(C(=O)c3ccco3)CC2)nc2ccccc12 46231308 GGLRAOBBVUNABD-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)c2cc(F)ccc2F)cc1 222967945 FDWNFULUWRYDCN-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCN1C[C@@H](C)C[C@H](C)C1 225039577 UPOYVRKAGGSLMG-STQMWFEESA-N 324.852 3.056 0 40 DGAB C[C@@H]1CN(Cc2cnc(-c3cccnc3)s2)C(C)(C)CO1 97376886 BKBRYESHZXEUPY-GFCCVEGCSA-N 303.431 3.204 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 98089120 VNZXUJLWKOKVCE-GXTWGEPZSA-N 311.809 3.283 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)o1 97231581 QJGXAHMROYJQEG-LBPRGKRZSA-N 303.289 3.094 0 40 DGAB COC(=O)NCCCC(=O)N1CCCCC[C@H]1c1ccc(C)o1 96414189 DKOGGNSJRIIGGC-AWEZNQCLSA-N 322.405 3.168 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1sccc1C)CC2 96106322 NXOWTKWECKSILG-HNNXBMFYSA-N 309.475 3.322 0 40 DGAB c1cc(-c2cnccn2)cc(-c2ccn(Cc3ccncc3)n2)c1 23581898 NFXZNYCUNMWJKG-UHFFFAOYSA-N 313.364 3.450 0 40 DGAB Cc1ccc(CN2CCOCC2)cc1NC1CCSCC1 92171060 XPVDCXQNZFQZCX-UHFFFAOYSA-N 306.475 3.135 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)c1oc2ccc(F)cc2c1C 24726698 GKFRXSVQCXVCJQ-ZDUSSCGKSA-N 321.348 3.198 0 40 DGAB COc1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)cc(OC)c1 257312737 UPIBETMQFQCLHB-OAHLLOKOSA-N 315.417 3.115 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 257247154 IXSNAKZCDLXYPK-OAHLLOKOSA-N 307.401 3.098 0 40 DGAB COc1ccc(Cl)cc1Nc1ncncc1-c1nc(C)no1 253397210 FKBSVWPERUJZNG-UHFFFAOYSA-N 317.736 3.241 0 40 DGAB COC(C)(C)C(=O)N1CC[C@H](Cc2ccnc3ccccc23)C1 257253575 JZKWFUFYGWBGGQ-CQSZACIVSA-N 312.413 3.051 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@H](Cc2ccn[nH]2)C1 257294341 QTRGFBHINNGWFR-CQSZACIVSA-N 320.396 3.053 0 40 DGAB COC(=O)NCc1nc2ccccc2n1Cc1ccccc1F 575442909 XOEFAGRPMMEZEF-UHFFFAOYSA-N 313.332 3.080 0 40 DGAB O=C(O)c1cccc2cn(-c3ccc([C@H]4CCCNC4)cc3)nc12 669679191 HDQHGRLURKGIFL-AWEZNQCLSA-N 321.380 3.191 0 40 DGAB Cc1nc(-c2ccccc2C)n(CC(=O)Nc2ccccc2)n1 65518756 PANKQUHGJUAQFP-UHFFFAOYSA-N 306.369 3.201 0 40 DGAB CN(C(=O)CCc1cnn(C)c1)c1cc(Cl)cc(Cl)c1 71904488 MYXIMEHNDJPRNR-UHFFFAOYSA-N 312.200 3.323 0 40 DGAB Cc1ccn2cc(C(=O)Nc3nnc(C(C)(C)C)s3)nc2c1 55975790 BUOJNVNKZSXFND-UHFFFAOYSA-N 315.402 3.044 0 40 DGAB COc1cc(CN(C)Cc2cscn2)ccc1OC(F)F 53095093 QEJJEJWWZAHVLS-UHFFFAOYSA-N 314.357 3.385 0 40 DGAB O[C@H]1CCN(c2ncnc3ccc(F)cc23)Cc2ccccc21 95997029 HOEULTIMEZEWIR-KRWDZBQOSA-N 309.344 3.213 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2cc(C)cc(C)c2)c1 5497077 WORSAGAWUWYSQF-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CC[C@@H](C(=O)N1CCC(O)(c2ccccn2)CC1)c1ccccc1 12117446 IDZBCIDELHWWTH-QGZVFWFLSA-N 324.424 3.085 0 40 DGAB c1ccc(-n2cnnc2SCc2cn3ccccc3n2)cc1 13057784 LUTIGKDSHQUKAJ-UHFFFAOYSA-N 307.382 3.207 0 40 DGAB CCn1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)n1 14248907 WPHAAVXYUPFARY-UHFFFAOYSA-N 307.419 3.001 0 40 DGAB CCN(CC)CCNCc1cn[nH]c1-c1ccc(Cl)cc1 19723025 ZPKOKESENSZQKC-UHFFFAOYSA-N 306.841 3.162 0 40 DGAB CC(=O)Nc1ccc(C(=O)NC[C@H](C)c2ccccc2)s1 14484697 RWDPSIWADGHJRI-NSHDSACASA-N 302.399 3.240 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(C[C@H]2CCCO2)C1 1849465947 OCRRULPFCFCNHT-OAHLLOKOSA-N 313.445 3.370 0 40 DGAB CC(C)(CNC(=O)c1ccc2nsnc2c1)c1ccsc1 1565519133 DRKYLJAKTQBKNM-UHFFFAOYSA-N 317.439 3.460 0 40 DGAB O=C(NCCc1ccccc1)NC[C@@H]1CCCN1c1ccccc1 211119872 NSGHOMMOXXPFEM-IBGZPJMESA-N 323.440 3.197 0 40 DGAB CCO[C@@H](C)c1nc(-c2cc(C)n(-c3ncn[nH]3)c2C)cs1 96433569 DNYYKLCZXHFBKT-NSHDSACASA-N 317.418 3.433 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@H](C)c2cccs2)n1 40120701 PKVZSAQTDGAPTB-SMDDNHRTSA-N 320.462 3.258 0 40 DGAB CC(C)c1noc(CCCC(=O)Nc2cc(F)cc(F)c2)n1 40515720 PYLKMPKSFBKPSC-UHFFFAOYSA-N 309.316 3.433 0 40 DGAB Cc1ccc([C@H]2NC(=S)NC3=C2CCC[C@@H]3CN(C)C)cc1 101375248 NRERSBYAYDKVRY-GDBMZVCRSA-N 315.486 3.130 0 40 DGAB CC1CCC(N2CCN(C(=O)c3cccc(F)c3)CC2)CC1 239041 XMTOGKSMJWGZLW-UHFFFAOYSA-N 304.409 3.162 0 40 DGAB O=C(OCCCn1cncn1)C(c1ccccc1)c1ccccc1 32933379 JHXSDJPIDMJFMS-UHFFFAOYSA-N 321.380 3.044 0 40 DGAB CCCC[C@@H](CC)C(=O)N(C)Cc1nc2ccsc2c(=O)[nH]1 32945651 XABFXQSMAACBNZ-LLVKDONJSA-N 321.446 3.159 0 40 DGAB CC(C)=C(NC(=O)c1ccccc1)C(=O)NCc1ccccc1 174598 KKCZCQCMOUCLHL-UHFFFAOYSA-N 308.381 3.027 0 40 DGAB CCOC(=O)[C@]12C(=O)Oc3ccccc3[C@H]1C(C)(C)C2(C)C 339678 PLNNXAVEFSXDEX-UGSOOPFHSA-N 302.370 3.305 0 40 DGAB COc1cccc([C@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)c1 525888 RPJMORVOBIOOAH-CVEARBPZSA-N 321.384 3.015 0 40 DGAB CCn1nc(NC(=O)c2cccnc2)c2cc3ccccc3nc21 528115 FEBSQNKZKLHFOC-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CCOc1ccccc1NC(=O)NC(=O)c1ccc(F)cc1 938251 WSUSHIWDKKHENK-UHFFFAOYSA-N 302.305 3.186 0 40 DGAB CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 1600533 RNPFVYSGAFTESZ-MRXNPFEDSA-N 316.788 3.026 0 40 DGAB COc1ccc2c(c1)CC1(CC2)CCN(CCCN(C)C)CC1 1637894 NCAHBRFKABBQAP-UHFFFAOYSA-N 316.489 3.218 0 40 DGAB O=C(NCCc1ccccc1)C(=O)Nc1cccc2ccccc12 3061948 KFPHVWIDZUQYDM-UHFFFAOYSA-N 318.376 3.137 0 40 DGAB O=C1CCCN1c1ccc(C(=O)N2CCc3ccccc32)cc1 3392436 LTORQCQTARLXOC-UHFFFAOYSA-N 306.365 3.016 0 40 DGAB CCOC(=O)c1cnn(-c2ccccc2)c1-n1c(C)ccc1C 4088214 YXAIDFGFPNHONW-UHFFFAOYSA-N 309.369 3.457 0 40 DGAB O=C(O)c1cc(NC(=O)c2cccc3ccccc23)ccc1O 5070483 JNMBXIIBOWEXGW-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 5251114 MDWWXPRBZSSUCE-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB COc1cc(C)cc(OC)c1OCC(=O)Nc1cccc(C)c1 5454554 VEBXLMBPEFMONR-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB O=C(COC(=O)C1CC1)Nc1c(Cl)cccc1C(F)(F)F 6084544 LOGFWRJLSKHAMA-UHFFFAOYSA-N 321.682 3.251 0 40 DGAB CCc1ccccc1N1C[C@H](C(=O)NC2CCCCC2)CC1=O 7881967 JFQDHAOVYOCQNI-OAHLLOKOSA-N 314.429 3.051 0 40 DGAB CCOc1ccc(NC(=O)CCc2c(C)noc2C)cc1OC 7976129 OHLPXOUYOOQWSG-UHFFFAOYSA-N 318.373 3.270 0 40 DGAB O=c1c2c(-c3ccc(O)cc3)ccnc2[nH]n1-c1ccccc1 8560233 KXTKMZAOSUKIIX-UHFFFAOYSA-N 303.321 3.086 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)Cc2cccc(C)c2)cc1 10110592 NDHAOOQQAKZJQE-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB Cc1cccnc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 12515379 SEPGMNQYUDTEOD-SNVBAGLBSA-N 313.382 3.075 0 40 DGAB Cc1nnc(CSc2nncn2-c2ccc(C)c(Cl)c2)o1 12544209 RBMDHDKCVGRLCI-UHFFFAOYSA-N 321.793 3.213 0 40 DGAB Cc1noc(C)c1CCC(=O)NCCc1cccc2cccnc12 12997158 DRZTYKMWKADUFB-UHFFFAOYSA-N 323.396 3.131 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)c3ccc(F)cc3)c[nH]2)cc1 13608449 FFVOPDXIZQGHKG-UHFFFAOYSA-N 323.371 3.497 0 40 DGAB COc1ccccc1CCNC(=O)N1CCc2ccccc2C1 14189560 VUOKXSYCQSWJBF-UHFFFAOYSA-N 310.397 3.006 0 40 DGAB CCn1c(CNC(=O)c2cc(C(C)C)on2)nc2ccccc21 19524360 UPEZEFUJMONOTB-UHFFFAOYSA-N 312.373 3.098 0 40 DGAB Cc1ccc(CN2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 19900178 GFZFAZDCVHIPOI-IRXDYDNUSA-N 302.462 3.069 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2cc(F)ccc2F)cc1OC 20029742 QWMQRKIGFYQTHR-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB O=C1Nc2ccccc2[C@H]1[C@@H]1NCCc2c1[nH]c1ccccc21 20759442 YGURMDITZSVQME-WMZOPIPTSA-N 303.365 3.091 0 40 DGAB biogenic CCOc1ccc(CNC[C@H](O)c2ccccc2)cc1OCC 22076042 IZIXNQWHRBJTAF-KRWDZBQOSA-N 315.413 3.307 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1c[nH]c2ccccc2c1=O 22234085 YTDHBJQOIPFVFX-UHFFFAOYSA-N 318.254 3.198 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@@H]1C[C@H]1c1ccc(F)cc1 24905120 QEIZZLYCXXCXAQ-JKSUJKDBSA-N 322.343 3.149 0 40 DGAB COC(=O)C[C@H](NC(=O)Cc1ccc(C)cc1)c1cccs1 25084457 SMWXUBAFIVPDBN-AWEZNQCLSA-N 317.410 3.020 0 40 DGAB COC(=O)N[C@@H](Sc1ccc(C)cc1)C(=O)c1ccco1 26688152 ATRPMNQYQCETRS-AWEZNQCLSA-N 305.355 3.245 0 40 DGAB CCn1nccc1CNC(=O)Nc1cccc(C(F)(F)F)c1 28236311 TYZWVYZSNVTGFV-UHFFFAOYSA-N 312.295 3.244 0 40 DGAB Cc1cccc(C(=O)Nc2ccc(F)c(NC(=O)C3CC3)c2)n1 29174060 RKCWLASLJONIQD-UHFFFAOYSA-N 313.332 3.130 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1csc(-c2ccco2)n1 29462098 UFDVOGMQVVTMQI-UHFFFAOYSA-N 314.322 3.384 0 40 DGAB O=C(NCc1csc(Br)c1)NC1CCCC1 31099641 NFRDOAFGCWGLEG-UHFFFAOYSA-N 303.225 3.252 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccoc2)c(Cl)c1 33146859 JYWMBJHJLQFGHK-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@H]2C(=O)C[C@@]2(C)CCC[C@H]12 36370679 XQLFKXBNBBSWOD-UEHUPTKESA-N 304.430 3.138 0 40 DGAB C[C@@H]1CCc2c(sc3c2c(=O)nc2n3C(=O)c3ccccc3-2)C1 36611800 KDMXEGDBWKGFEI-SECBINFHSA-N 322.389 3.252 0 40 DGAB Cc1nnc(COC(=O)c2ccccc2Nc2ccccc2)o1 40009954 BRARGNVAVFAAFU-UHFFFAOYSA-N 309.325 3.479 0 40 DGAB COc1cc2ncnc(NCc3cccc(F)c3)c2cc1OC 40268021 WXPWYZQHMOBSAC-UHFFFAOYSA-N 313.332 3.398 0 40 DGAB O=C(Cn1cnc2ccccc21)Nc1nc2c(s1)CCCC2 44442773 AROMBMWHNMJSGE-UHFFFAOYSA-N 312.398 3.010 0 40 DGAB CN(Cc1ccc(F)cc1)C(=O)CCc1nc2ccccc2[nH]1 44874111 OPDQEEOZPCIAID-UHFFFAOYSA-N 311.360 3.293 0 40 DGAB O=C(Cc1cccc(F)c1)N1CCC(c2ccc(O)cc2)CC1 48333116 DPJPYKUJRDVDQJ-UHFFFAOYSA-N 313.372 3.480 0 40 DGAB COc1ccc(C2=CCN(C(=O)Nc3nccs3)CC2)cc1 52460531 HBRAIAOTMMDTQL-UHFFFAOYSA-N 315.398 3.473 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)CN1C[C@H](C)C[C@@H](C)C1 56517457 LRKHIOSVJRAHJW-RBSFLKMASA-N 319.449 3.183 0 40 DGAB Cc1ccc(C[S@](=O)CCC(=O)Nc2ccccc2)cc1 58158734 MXKMIPFQPTXTLG-NRFANRHFSA-N 301.411 3.273 0 40 DGAB C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1cccnc1 58266705 UNSXSDCIMQHXOJ-CMPLNLGQSA-N 322.459 3.377 0 40 DGAB Cc1cc(CNc2nc(C)nc3sc4c(c23)CCC4)on1 58406565 XMFZHIFBWUZUMI-UHFFFAOYSA-N 300.387 3.397 0 40 DGAB COc1cccc(CCCNC(=O)[C@H](C)Oc2ccccc2)c1 66435518 PAEDOXFIZSJYEL-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB CN(CC(F)(F)F)C(=O)CSc1ccnc2ccccc12 68053366 IGHGXEYFUUIZKY-UHFFFAOYSA-N 314.332 3.348 0 40 DGAB COC[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 69006668 RODIOSFYVFBUGR-GFCCVEGCSA-N 310.353 3.260 0 40 DGAB CN(CC(=O)NCc1ccccc1)Cc1c(F)cccc1Cl 69216932 JAQCCWXGZHWGER-UHFFFAOYSA-N 320.795 3.227 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)N(C)Cc2ccsc2)c1 69436095 HOYDVFFJTQCHJM-CYBMUJFWSA-N 317.410 3.377 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 69461713 VFHOLZJMMSXFPZ-MOPGFXCFSA-N 323.440 3.284 0 40 DGAB CCc1noc([C@@H](C)N2CCC(OCc3ccccc3)CC2)n1 69493669 AHTVGAWQIYLBDE-CQSZACIVSA-N 315.417 3.374 0 40 DGAB CC(C)c1nnc2n1C[C@H](CNc1nc3ccccc3o1)CC2 69661181 CMCOVZKIAZQOJD-LBPRGKRZSA-N 311.389 3.217 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2nccn2Cc2ccccc2)c1 69967187 RSWBGCJWIALVPY-DLBZAZTESA-N 323.444 3.176 0 40 DGAB CCOc1cccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 71847641 FDHRRUQIMHDYAQ-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB CC(=O)N1CCC[C@H]1c1cncc(Oc2ccccc2F)n1 72361763 YVPCJOUHQZKLMU-AWEZNQCLSA-N 301.321 3.091 0 40 DGAB CCOc1cc(OCC)c(-c2cc(C(=O)OC)[nH]n2)cc1Cl 83183173 INFONOBLAQOUJB-UHFFFAOYSA-N 324.764 3.314 0 40 DGAB C[C@H](NC(=S)NCc1cn2ccsc2n1)c1ccccc1 84656666 JLYDPOXAWDDDRA-NSHDSACASA-N 316.455 3.121 0 40 DGAB CSc1nnc(SC[C@@H](O)c2cc(F)ccc2F)s1 89496673 AHXCEPYMMIHPKZ-SECBINFHSA-N 320.411 3.364 0 40 DGAB CN(C(=O)Cc1ccc2c(c1)OCO2)c1cccc2ncccc12 89844606 GAAOILZXVXPGIL-UHFFFAOYSA-N 320.348 3.169 0 40 DGAB CC/C=C/COC(=O)Cc1c(C)nn(CC(F)(F)F)c1C 89914184 PSIRPLVJBPVUMA-AATRIKPKSA-N 304.312 3.114 0 40 DGAB Cc1ccc([C@H]2CN(C(=O)NCc3sccc3C)CCO2)o1 95437532 MVRPVSPHVLSMHG-CQSZACIVSA-N 320.414 3.241 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccc(F)cc2)C(C)C)o1 95459448 OLTCCGVDDDRZMY-OAHLLOKOSA-N 311.378 3.403 0 40 DGAB c1ccc(CN2CCC[C@]3(CCN(Cc4ccoc4)C3)C2)nc1 96046943 NAVOQRSEMVYFPF-IBGZPJMESA-N 311.429 3.163 0 40 DGAB CC(C)CNC(=O)c1cc(C(C)C)nc(N2CCCCCC2)n1 96192126 ZONVBTSACNVENJ-UHFFFAOYSA-N 318.465 3.366 0 40 DGAB O=C(Cc1noc2ccccc12)NCCc1cc2ccccc2o1 96417065 LQQWCINYCCMFRV-UHFFFAOYSA-N 320.348 3.475 0 40 DGAB COCCOC(=O)Nc1cccc(NCCC(F)(F)F)c1 96419545 ZKKMBUBODRECEV-UHFFFAOYSA-N 306.284 3.246 0 40 DGAB CC(=O)Nc1cccc(CN(Cc2ccccc2)C[C@H](C)O)c1 96421174 BKFJOSYKJRNKPI-HNNXBMFYSA-N 312.413 3.028 0 40 DGAB CC(C)c1nc2cc(NC(=O)N[C@H]3CCC[C@@H]3CO)ccc2o1 96434977 MAJOMLDCOUXTJM-YPMHNXCESA-N 317.389 3.234 0 40 DGAB CC(C)(C)c1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)no1 97113228 FTJCGECTCXHGPF-GFCCVEGCSA-N 317.393 3.454 0 40 DGAB O=C(O)c1ccc(C(=O)N2CC=C(c3cccs3)CC2)s1 97228553 PWUSTOJOPBCQCL-UHFFFAOYSA-N 319.407 3.437 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)[C@H](C)OCC 97233680 JJRNIZSNSBTPPC-VIFPVBQESA-N 315.211 3.244 0 40 DGAB FC(F)(F)c1ccnc(N[C@H]2CCOC3(CCCC3)C2)n1 98020513 KUENUWLGXHBKJV-JTQLQIEISA-N 301.312 3.399 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1sc2ncccc2c1N 98063813 PSTVOXMHAPIHEX-JTQLQIEISA-N 309.394 3.470 0 40 DGAB O=C(NCc1cccnc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102076045 KJZICOHBYNPBER-QBBMROGASA-N 304.821 3.276 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106648486 HTYVEOATOASBDX-JONQDZQNSA-N 314.429 3.114 0 40 DGAB CC[C@H](c1ccccc1)[S@@](=O)[C@H](C)C(=O)N1CCCCC1 108102836 DTIDHCGTHAZFGR-IUSZMWJPSA-N 307.459 3.287 0 40 DGAB Cc1nnsc1C(=O)N1CC(C)(C)Sc2ccccc21 191449105 IOPAIVKOBJDNDW-UHFFFAOYSA-N 305.428 3.378 0 40 DGAB C[C@H]1C[C@H](CNC(=O)c2cccc(O)c2)CN1Cc1ccccc1 195556826 ZJRLWPBKBXIZCK-DOTOQJQBSA-N 324.424 3.033 0 40 DGAB S=C(NCC1(c2ccccc2)CCCC1)Nc1cnccn1 223972965 PVYOQCAKABNPDI-UHFFFAOYSA-N 312.442 3.275 0 40 DGAB COc1cccc2c1N(C(=O)c1snnc1C)CC[C@H]2C 225418501 IGNVRFCQVLJWTM-SECBINFHSA-N 303.387 3.009 0 40 DGAB Cc1nc(CNC(=O)c2ccc(-c3ccco3)nc2C)cs1 257173255 HTIVKCFPEVJLPF-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB Cc1cn(C)c([C@@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257250758 JNXARSOCNKLPKV-GOSISDBHSA-N 323.440 3.237 0 40 DGAB CCOC(=O)[C@H](Cc1ccc(Cl)nc1)C(=O)c1ccccc1 408731849 NKJSXCYIYYTPSM-CQSZACIVSA-N 317.772 3.340 0 40 DGAB O=C(c1cc(Br)cs1)N1CCC(F)(F)CC1 684521773 KVGOFJAGTTWWSA-UHFFFAOYSA-N 310.163 3.382 0 40 DGAB Cc1ncn(-c2ccc(NC(=O)c3ccnn3C3CC3)cc2)c1C 1553884611 PMPAUTXOUPMUNZ-UHFFFAOYSA-N 321.384 3.273 0 40 DGAB Cc1ncn(-c2ccc(NC(=O)c3cccc(F)c3N)cc2)c1C 1556825337 VAZNEYVHCLBRAQ-UHFFFAOYSA-N 324.359 3.463 0 40 DGAB Cc1cc(C(=O)NC[C@@H](O)c2ccc(-c3ccco3)o2)c(C)o1 1775966082 SJJHOIVTTBPDJY-CYBMUJFWSA-N 315.325 3.213 0 40 DGAB FC(F)(F)c1ccnc(N2CC(Cn3cc(Cl)cn3)C2)c1 1889095542 XFXKLIOGMDWKGP-UHFFFAOYSA-N 316.714 3.087 0 40 DGAB Cc1cnc(N(C)[C@@H]2CCCN(c3nc4ccccc4o3)C2)nc1 1889151735 MQJGVNXLKOALEU-CQSZACIVSA-N 323.400 3.031 0 40 DGAB COCCCN(Cc1ccncc1)C(=O)c1cc(F)ccc1C 71882984 AGMQFEQQPIUKTJ-UHFFFAOYSA-N 316.376 3.208 0 40 DGAB CCOc1cccc(NC(=O)Nc2cnn(CC3CC3)c2)c1 72309865 JMLMSJCYECTETI-UHFFFAOYSA-N 300.362 3.336 0 40 DGAB CC[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(F)cc1 1381152 OZGZGCJHHLARKW-ZDUSSCGKSA-N 321.373 3.139 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCCC[C@H]3C)o2)n1 2778536 GMVMWZKSZMGSDP-CYBMUJFWSA-N 301.390 3.156 0 40 DGAB COC(=O)Cn1c(C)c(/C=C/c2cc[n+](C)cc2)c2ccccc21 4932942 LRTXUKRRTLYVBH-UHFFFAOYSA-N 321.400 3.118 0 40 DGAB COc1ccc(OC)c(NC(=O)c2c(C)[nH]c(C(C)=O)c2C)c1 6818813 PRKZIDINMGTMPU-UHFFFAOYSA-N 316.357 3.104 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)c3ccc4ccccc4n3)cc12 22895774 SOSJTGXKSTZXEV-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2cc(C(=O)O)ccc2C)c1 9694334 MNWANEJVEKQENY-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC(C)c1nnc(NC(=O)N[C@@H]2CCOc3ccccc32)s1 43696423 HZMSOYKVCPFJEQ-LLVKDONJSA-N 318.402 3.307 0 40 DGAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccccn3)o2)cc1 12554001 ITIDIKXDEIGPCM-UHFFFAOYSA-N 320.348 3.474 0 40 DGAB O[C@H](CNCc1ccc(Br)s1)c1ccccc1 35112794 QBOQSWPBTCCHBE-GFCCVEGCSA-N 312.232 3.334 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1Cl)N1[C@H]2CCCC[C@H]21 107787488 IBXNSFGFNKQNNW-YWXMQNBFSA-N 306.214 3.309 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(C(F)(F)F)c2)nc1 27935550 OYVGNHBDQVZWTA-UHFFFAOYSA-N 310.275 3.426 0 40 DGAB Cc1csc(NS(=O)(=O)c2ccccc2C(F)(F)F)n1 57710704 HREXACUTUOWKDZ-UHFFFAOYSA-N 322.333 3.271 0 40 DGAB CCO/C=C1/C(=O)N(Cc2ccccc2)C(=O)c2ccccc21 3220816 LJYCJDJVXUPFFP-GHRIWEEISA-N 307.349 3.247 0 40 DGAB C[C@H](NC(=O)COc1ccccc1)c1nc(-c2ccccc2)c[nH]1 58192536 WUWJYWGTJDFBDV-AWEZNQCLSA-N 321.380 3.333 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc(C)cc2OC)cc1 54363348 AEMBCYPIYWAOEU-UHFFFAOYSA-N 305.399 3.367 0 40 DGAB Cc1ccc(C(=O)N2c3cccc4cccc(c34)S2(=O)=O)cc1 3270761 CCVJSJJOCHCAQM-UHFFFAOYSA-N 323.373 3.497 0 40 DGAB Cc1nc(CCNC(=O)COc2ccc(Cl)c(C)c2)cs1 27793732 HPGDHZYLAAKYFC-UHFFFAOYSA-N 324.833 3.151 0 40 DGAB CCOc1cccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(C)no2)c1 58332152 ZSDPQGCGOFONIW-OLZOCXBDSA-N 317.389 3.060 0 40 DGAB COCCOc1ccccc1C(=O)N[C@@H](C)c1ccc(C)o1 58379276 WGXTWRFNBYCSLV-ZDUSSCGKSA-N 303.358 3.104 0 40 DGAB Cc1nn(-c2ccccc2)c(O)c1C(=O)OCc1ccccc1 113294714 MWQQTPLKGMUHTG-UHFFFAOYSA-N 308.337 3.243 0 40 DGAB CSCC(=O)NCc1ccc(CN2C[C@H](C)C[C@@H](C)C2)cc1 48310693 HVBBBHVIJWNYEM-HUUCEWRRSA-N 320.502 3.144 0 40 DGAB CCCCN(CCCC)C(=O)CCn1c(=O)oc2ccccc21 4121513 VJMBLLGXHYPDRR-UHFFFAOYSA-N 318.417 3.413 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccccc2O)c(C)n1C1CC1 5078594 YDKQMDZUCFVVCW-UHFFFAOYSA-N 313.353 3.185 0 40 DGAB O=C(O)CCCCCNC(=O)Cn1ccc2cc(Cl)ccc21 71280030 CSYBAHMGVDLXEO-UHFFFAOYSA-N 322.792 3.056 0 40 DGAB Cc1ccccc1C[C@@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C 4241027 RRSHJVJIWMYMJI-GOSISDBHSA-N 319.401 3.392 0 40 DGAB COCc1nn2cc(-c3ccc(Br)cc3)nc2s1 5182405 LAPMOCONYCMDFR-UHFFFAOYSA-N 324.203 3.367 0 40 DGAB O=C(Nc1ccc(F)cc1)N1CCN(Cc2ccsc2)CC1 14136448 GGHRXBIOLWJMQV-UHFFFAOYSA-N 319.405 3.237 0 40 DGAB CCOC1CCN(C(=O)c2ccc(-c3ccco3)nc2C)CC1 65622501 PIGBSJKDMFIQPQ-UHFFFAOYSA-N 314.385 3.291 0 40 DGAB O=C(CN1C(=O)S/C(=C/c2ccco2)C1=O)c1ccccc1 409219598 RZTDDYKYOJPCGX-NTEUORMPSA-N 313.334 3.199 0 40 DGAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 14427977 IGIKHSMCDHLIBR-UHFFFAOYSA-N 322.364 3.036 0 40 DGAB Cc1nnc(SCc2nnc(-c3ccccc3)o2)n1C1CC1 9216805 MPTGKOCNZPPOLI-UHFFFAOYSA-N 313.386 3.264 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)C2CCCCC2)c(Cl)c1 6784726 CXXYMAPNXGKXAA-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB Oc1ccc(CNc2ccc3c(c2)OCCO3)c2cccnc12 15084001 NHORPJRJPKCIQH-UHFFFAOYSA-N 308.337 3.324 0 40 DGAB O=C(COc1ccc(Cl)cc1)N[C@@H]1CCOc2ccccc21 7215118 GTGIRQLMURCSTA-OAHLLOKOSA-N 317.772 3.359 0 40 DGAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)cc1Cl 16046628 YYCPDSQQMBCXON-QMMMGPOBSA-N 311.168 3.173 0 40 DGAB CCc1nc(CC)n(Cc2cc(Br)ccc2F)n1 72311115 CTGIXXLCVMCHDG-UHFFFAOYSA-N 312.186 3.353 0 40 DGAB CCOc1ccc(-c2[nH]ncc2C(=O)NCC2CC2)cc1Cl 72329350 SHYNPFQCCKOFFG-UHFFFAOYSA-N 319.792 3.269 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)Nc2cccc(-n3cnnc3)c2)c1 69324329 DQKZQZIINWWDMH-ZWKOTPCHSA-N 318.380 3.318 0 40 DGAB Cc1noc(-c2ccnc(NCc3cn4c(C)cccc4n3)c2)n1 96419431 HNVNJDVFZYCGOK-UHFFFAOYSA-N 320.356 3.008 0 40 DGAB COc1cccc(SCC(=O)N[C@H](C)CC[C@@H]2CCCO2)c1 69697159 RIRVOWSGLGVZKR-KGLIPLIRSA-N 323.458 3.251 0 40 DGAB CCc1nc(C)c(C(=O)NC[C@H](O)c2ccc(Cl)cc2)s1 69812755 OAQMHRATSQYZLC-LBPRGKRZSA-N 324.833 3.131 0 40 DGAB CCC(CC)[C@@H]1C[C@H](NC(=O)N(C)Cc2cccnc2)CCO1 97048365 BTGSCPWJIZBMOR-SJORKVTESA-N 319.449 3.207 0 40 DGAB COC(=O)C1=C(C)N(C)C(=S)N[C@H]1c1ccc(C(C)C)cc1 23779504 GRGNZWDJHMGGTE-HNNXBMFYSA-N 318.442 3.118 0 40 DGAB FC(F)(F)c1ccccc1[C@@H]1CN(C[C@H]2CCOC2)CCO1 110712700 BBPWKCYBARPHAI-DOMZBBRYSA-N 315.335 3.115 0 40 DGAB Cc1cccc2[nH]c(CNc3nnc(-c4ccccn4)s3)nc12 97137536 PZMQBUVWEVTISW-UHFFFAOYSA-N 322.397 3.397 0 40 DGAB Cn1nnc2cc(NC(=O)Nc3ccccc3Cl)ccc21 409132502 YIWCSUQYBUSXCE-UHFFFAOYSA-N 301.737 3.266 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@H](C)Cc2ccco2)s1 95409031 HXVMWZQKLVWLMN-SNVBAGLBSA-N 307.419 3.210 0 40 DGAB CCOc1cccc(CN[C@@H]2CCSC2)c1OC(F)F 95969250 NXNCTSQRYMSQCV-LLVKDONJSA-N 303.374 3.282 0 40 DGAB O=C(CSc1nc2ccc(F)cc2[nH]1)Nc1ccccc1 9927092 XVLXKMOJIDJVOI-UHFFFAOYSA-N 301.346 3.433 0 40 DGAB COCc1nc(CNc2cc(C(=O)OC)cc(F)c2C)cs1 86205141 XCNUCFKVSMEUCJ-UHFFFAOYSA-N 324.377 3.136 0 40 DGAB Cc1cc(CC(=O)N(C)[C@@H](c2ccc(F)cc2)C2CC2)n[nH]1 89599071 WBLPWLMBEFVFCP-QGZVFWFLSA-N 301.365 3.009 0 40 DGAB Cc1cc(C)c2c(c1)[C@@](O)(CC(=O)c1ccccc1C)C(=O)N2 75106808 JDEGPNNGXWQXSV-IBGZPJMESA-N 309.365 3.025 0 40 DGAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)c2c[nH]c(C)cc2=O)c1 89616453 FYXJIOUCYZVCKX-KRWDZBQOSA-N 310.397 3.277 0 40 DGAB C[C@@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 89930009 LXMHWWMSDIDIAP-CYBMUJFWSA-N 309.365 3.498 0 40 DGAB CC(C)c1noc(CN2CCC[C@@H]2c2noc(C(C)C)n2)n1 75573288 FNHYXIKKCSZMFU-LLVKDONJSA-N 305.382 3.037 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@@H]3C2=O)cc1 4188258 RWMYBCJSDRVINF-MVJTYMMSSA-N 323.392 3.343 0 40 DGAB CCCCOc1ccc(C(=O)/N=c2\sccn2CC)cc1 408560128 CCIQXULVYNLZIP-MSUUIHNZSA-N 304.415 3.490 0 40 DGAB COc1ccc(/C=C/c2cc(OC)c(OC)c(OC)c2)cc1N 38148874 QSAMWSFELUCKOA-AATRIKPKSA-N 315.369 3.474 0 40 DGAB O=C(CSCc1ccccc1Br)N1CCCC1 72205661 ZYJGWEZMLAGEPG-UHFFFAOYSA-N 314.248 3.305 0 40 DGAB Cc1cc(C)c2c(c1)[C@@]1(CC(O)=Nc3c1cnn3C(C)C)C(=O)N2 72405526 RHIMBJNAESMLIR-GOSISDBHSA-N 324.384 3.311 0 40 DGAB Cc1cc(SCC(=O)O)nc(COc2cccc(Cl)c2)n1 217694261 RZESLNUDWNZQJG-UHFFFAOYSA-N 324.789 3.194 0 40 DGAB CCOc1ccc(-c2[nH]ncc2C(=O)N2CCCC2)cc1Cl 71011333 XQLKFTRSJBBVBN-UHFFFAOYSA-N 319.792 3.365 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@H]1c1cc[nH]n1 286072936 RYMOKXGUAQDHSX-KRWDZBQOSA-N 308.385 3.187 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222772049 GWZBXWCOEGKAMM-HZPDHXFCSA-N 314.458 3.456 0 40 DGAB COc1ccc(CC(=O)NCCCc2ccc(F)cc2)cc1C 225163722 ZFRXYSMRUAHGBS-UHFFFAOYSA-N 315.388 3.434 0 40 DGAB Cc1cccc(CS(=O)(=O)NC[C@H](C)c2ccccc2)c1 224168652 MNEYHUBCUDNKPX-HNNXBMFYSA-N 303.427 3.218 0 40 DGAB CC(C)Sc1ncc(C(=O)O)c(NCc2ccccc2)n1 49469853 RAJDPRSNXHZNBR-UHFFFAOYSA-N 303.387 3.287 0 40 DGAB O=C(NCc1ccncc1)c1cc(-c2ccccc2Cl)[nH]n1 46455029 QNDGKTLIIUFWEF-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1Cl 48689061 FRKQYGFRJJPIOK-FZMZJTMJSA-N 308.809 3.282 0 40 DGAB COc1ccc(NC(=O)C[C@@H](CC(=O)O)c2cccs2)cc1 226751017 NNGCCDOLEWXCDI-NSHDSACASA-N 319.382 3.344 0 40 DGAB Cc1cccc(C(=O)c2ccc(CN3CCOCC3)cc2)c1C 43210844 QYEKCLROXWGWGX-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB Cn1cccc1[C@@H]1CCCCN1C(=O)CSc1ccncc1 96445047 ASTGVFUEIVBGED-INIZCTEOSA-N 315.442 3.266 0 40 DGAB O=C(O)CCCc1nc2cc(Cl)ccc2n1C[C@H]1CCCO1 95095664 LEJYCLBVMGSKAZ-GFCCVEGCSA-N 322.792 3.276 0 40 DGAB CCOC[C@]12CCCO[C@@H]1CCN(C(=O)CC1=CCCCC1)C2 96039463 LPCFHSDMGIIJBF-IEBWSBKVSA-N 321.461 3.311 0 40 DGAB CSc1ccc(-c2ccnc3nc([C@H]4CCCO4)nn23)cc1 95473262 LIDZPVQXHFTMES-CQSZACIVSA-N 312.398 3.365 0 40 DGAB Cc1cc(NCc2csc(C(C)C)n2)ccc1-n1cnnn1 96461375 HSXNTCJUOVGGOC-UHFFFAOYSA-N 314.418 3.163 0 40 DGAB CCOC(=O)CCOc1cc(F)c(Br)cc1F 95734219 SLBOWZUSQXPQGH-UHFFFAOYSA-N 309.106 3.059 0 40 DGAB CN(C)C1(CNC(=O)[C@]2(C)CC2(Cl)Cl)CCCCCC1 24582531 XSDRZCUJFIGBNW-ZDUSSCGKSA-N 321.292 3.341 0 40 DGAB CC(C)c1nc(CNC(=O)CN(C)c2ccccc2)cs1 65565054 DGWMXGRLLRRUQE-UHFFFAOYSA-N 303.431 3.019 0 40 DGAB CC/C=C(\C)C(=O)NCc1ccc(C(=O)N[C@@H](C)CC)cc1 48913819 IMYJAKHWFYMKGN-GUNGLEHYSA-N 302.418 3.187 0 40 DGAB CCc1cc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)ncn1 1776009863 VHXDRYMELVVHKO-KBPBESRZSA-N 317.824 3.261 0 40 DGAB c1cc(OC[C@H]2CCCN(c3ccnc(C4CC4)n3)C2)ccn1 1776002034 ZUYKIOPMGIESEW-AWEZNQCLSA-N 310.401 3.044 0 40 DGAB CC(=O)N1CC[C@H](NCc2ccc(C(C)(C)C)cc2)[C@H](C)C1 84714849 ZQYZBBYDDZOQAU-KDOFPFPSSA-N 302.462 3.331 0 40 DGAB COc1ccc2c(OCc3nnc(SC)s3)ccnc2c1 75147363 WBDZSGDKFVQNQD-UHFFFAOYSA-N 319.411 3.396 0 40 DGAB C[C@H](N[C@@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 90115369 SNIXEVLTEKCKJS-IIYDPXPESA-N 313.376 3.065 0 40 DGAB CN(Cc1cccnc1)[C@@H](CO)c1cccc(Br)c1 95980918 YNGAVCWZEREFAN-HNNXBMFYSA-N 321.218 3.010 0 40 DGAB O=C1CC[C@](c2ccccc2)([C@]2(c3ccccc3)CCC(=O)O2)O1 16956067 LZSPGROMWQQYPU-BGYRXZFFSA-N 322.360 3.451 0 40 DGAB O=C(CCc1cccc(Cl)c1)N1CCCN(C2CCC2)CC1 825583847 ABNVWOPNAPBRAD-UHFFFAOYSA-N 320.864 3.359 0 40 DGAB Cc1ccc(NC(=O)N(C)C2CN(c3ccccn3)C2)cc1C 1888876368 REHGTHBVUIGLCS-UHFFFAOYSA-N 310.401 3.051 0 40 DGAB Cc1csc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)n1 1888947697 FYHNIKHLYVYMSC-UHFFFAOYSA-N 315.402 3.044 0 40 DGAB CC[C@H](C(=O)N1CC(Oc2ccnc(C)c2)C1)c1ccccc1 1889179251 XMVYECRIQPSSBG-SFHVURJKSA-N 310.397 3.173 0 40 DGAB Oc1cc([C@H]2CCCCN2C2CCCCC2)nc2nccn12 2037845593 DQYBDBGPRHCBHX-OAHLLOKOSA-N 300.406 3.295 0 40 DGAB O=C(Nc1ccc2scnc2c1)[C@@H]1COc2ccccc2O1 10217554 MEBKHKTZNVEJTI-AWEZNQCLSA-N 312.350 3.075 0 40 DGAB COc1cccc(CNC(=O)Cc2cc(-c3ccccc3)on2)c1 13573951 RTBAWGPTSMLSBF-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB CCOc1nc(C)c(NC(=O)Nc2ccc(F)cc2)c(C)n1 206719814 GZUWFDMDJHMYJT-UHFFFAOYSA-N 304.325 3.275 0 40 DGAB Cc1cc(=O)[nH]c2cc(NC(=O)CSC3CCCC3)ccc12 49031059 CQMZXUYWCHJLAD-UHFFFAOYSA-N 316.426 3.451 0 40 DGAB COC(OC)[C@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 381892 VGHBDEDKSHELQC-INIZCTEOSA-N 312.369 3.012 0 40 DGAB O=C(c1ccc[nH]c1=O)N1CCC[C@H]1c1ccc(Cl)cc1 32796225 JKKQSNMGUKVSHW-AWEZNQCLSA-N 302.761 3.006 0 40 DGAB COC(=O)N[C@@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 481174 FFKVQADMJIDFLX-SECBINFHSA-N 311.596 3.459 0 40 DGAB O=C(O)CCC(=O)Nc1ccc(-c2cnc3ccccc3n2)cc1 356410 WEBFVRHJCYPWEF-UHFFFAOYSA-N 321.336 3.100 0 40 DGAB CCOC(=O)c1c(C)oc2ccc(O[C@H](C)C(=O)OCC)cc12 407138 AVIGDSQYOCTOEU-LLVKDONJSA-N 320.341 3.248 0 40 DGAB biogenic COc1cc2c(c3oc(=O)c4c(c13)CCC4)CCC(C)(C)O2 2114647 RQBJTPVUMRHRST-UHFFFAOYSA-N 300.354 3.394 0 40 DGAB biogenic CC(=O)c1c(C)[nH]c(C(=O)NCc2cccc(Cl)c2)c1C 2629699 GMANMWPUMYCRML-UHFFFAOYSA-N 304.777 3.418 0 40 DGAB Cc1cc(Nc2ncnc3[nH]cnc23)ccc1Br 2719603 UWPKYZWCJUKMCA-UHFFFAOYSA-N 304.151 3.167 0 40 DGAB CCc1c(C)sc(NC(=O)c2cccnc2Cl)c1C(N)=O 2740807 CIZANANKTOKZLR-UHFFFAOYSA-N 323.805 3.019 0 40 DGAB CN(C)c1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1 4414501 QYGKWFGOHKBLEU-UHFFFAOYSA-N 311.370 3.179 0 40 DGAB Cc1ccc(C[C@H]2CC(=O)N(c3cc(Cl)ccn3)C2=O)cc1 5576512 CVZWNNVBAWFGGL-ZDUSSCGKSA-N 314.772 3.166 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2c[nH]c3ccccc23)cc1 5937241 QTZGBLXUXITGIO-UHFFFAOYSA-N 308.381 3.378 0 40 DGAB O=C(COc1ccccc1Cl)NCCc1ccc(F)cc1 6305439 NJEJEBFKECIVFM-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cccc(F)c1F)S[C@@H](C)C(=O)N2 6678409 BYQGGMYRWNMCFL-MADCSZMMSA-N 309.341 3.160 0 40 DGAB CN(C)C1(Cn2c(=S)[nH]c3ccccc3c2=O)CCCCC1 7046340 QWRHWDBTCRKOGG-UHFFFAOYSA-N 317.458 3.324 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)CN1CSCC1=O 7668833 NDOWMHOXDQGBQC-UHFFFAOYSA-N 320.458 3.405 0 40 DGAB Cc1ccc([C@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)o1 8157100 BNKZQOOTAVJXOR-GUYCJALGSA-N 312.369 3.334 0 40 DGAB O=C(O)C1(NCc2ccccc2Br)CCCCC1 8698560 ZGBZCHVXQNYQNM-UHFFFAOYSA-N 312.207 3.326 0 40 DGAB C[C@](CC(=O)Nc1c(F)cccc1F)(C(=O)O)c1ccccc1 8987300 HCHDGPZSGVEZIM-QGZVFWFLSA-N 319.307 3.336 0 40 DGAB COC(=O)c1ccc(NC(=O)/C=C/c2nc3ccccc3o2)cc1 9058016 PGJPKIVYOCFPFW-ZHACJKMWSA-N 322.320 3.266 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCC3)cc1F 10744596 GMCJOQWHKPZHQS-UHFFFAOYSA-N 319.401 3.101 0 40 DGAB COc1cc(NC(=O)c2ccsc2)ccc1N1CCCC1=O 11446741 KHZZVUFLTFFVME-UHFFFAOYSA-N 316.382 3.136 0 40 DGAB O=C(C1CCCC1)N1CCC[C@](CO)(Cc2ccccc2)C1 11713781 HWLAJRRMMABWCZ-IBGZPJMESA-N 301.430 3.020 0 40 DGAB Cc1cccnc1NC(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 12515376 SEPGMNQYUDTEOD-JTQLQIEISA-N 313.382 3.075 0 40 DGAB O=C(c1ccc(F)cc1)n1nccc1-c1ccc2c(c1)OCO2 12957535 UVAZJFVZGKQYOI-UHFFFAOYSA-N 310.284 3.106 0 40 DGAB CC(=O)Nc1ccc(C(=O)NC[C@@H](C)c2ccccc2)s1 14484698 RWDPSIWADGHJRI-LLVKDONJSA-N 302.399 3.240 0 40 DGAB COc1ccc(C(=O)Nc2cc(OC)c(Cl)cc2OC)cn1 16201348 MORHQEVWLFDELL-UHFFFAOYSA-N 322.748 3.013 0 40 DGAB CCN1CCC[C@H]1CNc1ncnc2c1[nH]c1ccc(F)cc12 20394573 HTCJXUVQHIRXAM-LBPRGKRZSA-N 313.380 3.146 0 40 DGAB aggregator CCOC(=O)c1c(C)nsc1NC(=O)Nc1ccccc1 20515247 RJHNBVMEFCNKCP-UHFFFAOYSA-N 305.359 3.272 0 40 DGAB O=C1COc2ccc(NC(=O)c3csc4ccccc34)cc2N1 23342844 GHOLXWGFEITABC-UHFFFAOYSA-N 324.361 3.485 0 40 DGAB CCCCCOc1cc(C)c(Cl)cc1S(=O)(=O)N(C)C 27824496 AZYLFJFFWQFJIR-UHFFFAOYSA-N 319.854 3.468 0 40 DGAB Cn1cnnc1SCc1coc(-c2cccc(Cl)c2)n1 28963640 QKSYELXHUOSRIG-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB CN(Cc1cc(=O)n2cc(Cl)ccc2n1)CC1CCCCC1 29455258 FRJXQCZORDKJIM-UHFFFAOYSA-N 319.836 3.360 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 30863716 YEAVURXBDSYICH-VXGBXAGGSA-N 319.430 3.235 0 40 DGAB Cc1cc(C)c(C)c(SCCN2C(=O)NC(C)(C)C2=O)c1C 31440262 NACZNFNSEYMFQH-UHFFFAOYSA-N 320.458 3.343 0 40 DGAB Cc1ncc(CNS(=O)(=O)c2ccc3ccccc3c2)s1 32611492 OGEUFUZQNJGWOU-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 32815705 HNAKFTGLSKGJHJ-ZDUSSCGKSA-N 322.836 3.482 0 40 DGAB Cc1ccccc1CC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 32912075 LJFFNYFYZPQURZ-HXUWFJFHSA-N 322.452 3.318 0 40 DGAB COC(=O)c1ccc(CN(C)C(=O)c2c[nH]c3ccccc23)cc1 32937557 DKOKPLLAJMBBLA-UHFFFAOYSA-N 322.364 3.227 0 40 DGAB COC(=O)[C@@H](F)CN(Cc1ccccc1)Cc1ccccc1 34004256 OBKSTEOVEUUBBH-KRWDZBQOSA-N 301.361 3.200 0 40 DGAB O=C(Cc1ccccc1Cl)NCc1cc(-c2ccco2)on1 38754494 NMMMGSGCIFQVLX-UHFFFAOYSA-N 316.744 3.447 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cccc(OC(F)(F)F)c2)C[C@@H](C)O1 40104662 KEFXLOOQNICACU-NXEZZACHSA-N 318.295 3.226 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1F 40509233 CFVIWKJAHNGKSN-UHFFFAOYSA-N 318.279 3.174 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1cccnc1OC(C)C 40541060 MJVFSKHSKGFQLB-UHFFFAOYSA-N 317.389 3.219 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CCCCC2 42532344 CTDWKWPZJZIXPY-GFCCVEGCSA-N 303.431 3.032 0 40 DGAB CC(C)(C)OC(=O)N1CCC(OC(=O)c2ccc(F)cc2)CC1 43220319 HSQRUVJCZPBGRM-UHFFFAOYSA-N 323.364 3.382 0 40 DGAB C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCn1ccnc1 47465631 LWBRFSYJAYYNBV-GFCCVEGCSA-N 323.849 3.224 0 40 DGAB CCOc1cccc(CNC(=O)CCc2ccc(OC)cc2)c1 48376346 LAZJRMHYUYONFX-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB O=C(O)CCNc1ccc(Br)cc1Br 49163907 ZETBSDXBOUTSCV-UHFFFAOYSA-N 322.984 3.098 0 40 DGAB Cc1noc(C)c1C(=O)Nc1c2c(nn1-c1ccccc1)CCC2 53896444 OKEARZMGBOVGTR-UHFFFAOYSA-N 322.368 3.218 0 40 DGAB Cc1cnc(C(=O)Nc2cccc(-c3nc(C)c(C)o3)c2)cn1 54235069 QNBNWVPXEVWIDJ-UHFFFAOYSA-N 308.341 3.309 0 40 DGAB O=C(CCc1ccco1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55943715 RMUVQGKPQONRQH-WMZOPIPTSA-N 317.360 3.388 0 40 DGAB O=C(Nc1ccc(OC2CCCC2)cc1)NC1CCC(O)CC1 58087900 PRJYUMMUINJRNZ-UHFFFAOYSA-N 318.417 3.433 0 40 DGAB O[C@H](COc1cccc2ccccc12)CSc1nncs1 58281648 QRDJOVRIRPDKGX-GFCCVEGCSA-N 318.423 3.223 0 40 DGAB C[C@@H](CC(=O)Nc1ccc(Sc2nncn2C)cc1)C1CC1 58283135 OKJQHYMHSFJNRA-NSHDSACASA-N 316.430 3.341 0 40 DGAB O=C(Nc1ccccn1)C1CCN(CCc2cccs2)CC1 58293192 ZHHAOTPFBLUZMM-UHFFFAOYSA-N 315.442 3.036 0 40 DGAB Clc1ccc(-c2n[nH]c(SCCn3cccn3)n2)cc1 60533960 OOILGJYEDAKNBW-UHFFFAOYSA-N 305.794 3.114 0 40 DGAB O=C(NC1CCCCCC1)N1CCCN(c2nccs2)CC1 64753224 OAONPKHRBYUQKZ-UHFFFAOYSA-N 322.478 3.088 0 40 DGAB CC(C)Cc1nc(CN(C)C2CCC3(CCNCC3)CC2)no1 67447370 OXNOMSLGGYNZLS-UHFFFAOYSA-N 320.481 3.012 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N(C)C[C@@H]1CCCO1 69036853 IXDSVTINALOLQZ-NSHDSACASA-N 312.797 3.381 0 40 DGAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](n2cccn2)C1 69351290 OSHQZUZHJVHKLJ-GOSISDBHSA-N 320.396 3.151 0 40 DGAB CCN(Cc1ccc(C(=O)Nc2cnn(CC)c2)cc1)C(C)C 69417697 KJONWZZAGXXANP-UHFFFAOYSA-N 314.433 3.386 0 40 DGAB Cc1ccc2oc(C(=O)Nc3[nH]nc(C(F)(F)F)c3C)cc2n1 69458435 WJABJLNPMKWLNK-UHFFFAOYSA-N 324.262 3.439 0 40 DGAB CCC(C)(C)NC(=O)Cn1c(-c2cccc(F)c2)csc1=O 69533562 POLRBXYQMYSBFX-UHFFFAOYSA-N 322.405 3.021 0 40 DGAB Cc1c([C@H](C)NC(=O)c2cnn(C)c2)oc2ccc(F)cc12 69557507 OKXWTYCXKNSUJP-JTQLQIEISA-N 301.321 3.105 0 40 DGAB CCN(C(=O)N[C@@H](C)Cn1ccnc1)[C@@H](C)c1ccc(F)cc1 69621493 JOKDKYZHBJPDDS-KBPBESRZSA-N 318.396 3.203 0 40 DGAB Cc1nc2ccccc2cc1C(=O)N[C@@H]1CCCc2c1cnn2C 71195581 JBFPCHOVDBPRJJ-QGZVFWFLSA-N 320.396 3.084 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CCc2ccsc2)n1 71870052 GQYQQGINCFAIBW-INIZCTEOSA-N 317.458 3.185 0 40 DGAB Cc1oc(-c2ccco2)nc1CN[C@H](C)[C@@H](C)n1cccn1 71882111 HVXGTOAZJOXUMT-VXGBXAGGSA-N 300.362 3.179 0 40 DGAB Nc1nnc(SCc2csc(-c3ccoc3)n2)n1C1CC1 71888024 BVJFJHLYVBMHTP-UHFFFAOYSA-N 319.415 3.204 0 40 DGAB CN(CCc1ccncc1)C(=O)C[C@@H]1CCOc2ccccc21 71910536 NJRPZENUUBGFBS-INIZCTEOSA-N 310.397 3.039 0 40 DGAB CC(C)[C@H]1CC[C@@H](C)CCN1C(=O)c1nccn2ccnc12 73793622 YDROYEXKJJWADX-ZIAGYGMSSA-N 300.406 3.016 0 40 DGAB O=C(Nc1cccs1)N(CC(F)(F)F)C1CCOCC1 75166689 ZZPMPWSJKBUXQQ-UHFFFAOYSA-N 308.325 3.323 0 40 DGAB O=C(C1CCCC1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76060466 FDXBDLUITMPKJL-NSHDSACASA-N 315.339 3.325 0 40 DGAB Cc1cc([C@@](C)(O)CNC(=O)Nc2c(F)cccc2F)c(C)o1 76068723 BSSLPEIAEIZDHE-INIZCTEOSA-N 324.327 3.204 0 40 DGAB CSC[C@@H](CCO)NC(=O)Nc1cccc2ccccc12 77513142 UEHLQTQCSGSANJ-CYBMUJFWSA-N 304.415 3.075 0 40 DGAB CC(=O)N(Cc1ccc(NC(=O)NCC2CCC2)cc1)C1CC1 77518807 RYMWILCCXROVHW-UHFFFAOYSA-N 315.417 3.119 0 40 DGAB O=C(NC[C@H](O)c1c(Cl)cccc1Cl)c1ccoc1 77648498 ZNENIXNQXLQCCX-NSHDSACASA-N 300.141 3.050 0 40 DGAB COCCN(Cc1ccco1)C(=O)CCc1cccc(F)c1F 78720424 ADNGGWCJNPDJJA-UHFFFAOYSA-N 323.339 3.166 0 40 DGAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)NCc2nccn2C)o1 78952696 KHMQLNQRQMRSGF-GXTWGEPZSA-N 316.405 3.004 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)Sc1nnc(N)s1 79344801 JXMCIWNTFONHCN-SSDOTTSWSA-N 308.457 3.453 0 40 DGAB CCN(Cc1cccc(Cl)c1Cl)C(=O)[C@@H](N)C(C)C 79421011 CTSZMRFVTUSQRV-ZDUSSCGKSA-N 303.233 3.325 0 40 DGAB CCn1cc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)cn1 83843573 UALRWTJEZFIUCU-AWEZNQCLSA-N 309.417 3.248 0 40 DGAB O=C(CCc1cc(F)ccc1F)N1CCCC[C@H]1c1cn[nH]c1 89768482 CDWXLJVNHVREJP-INIZCTEOSA-N 319.355 3.374 0 40 DGAB CC(=O)Nc1ccc(C)cc1NC(=O)c1cc(F)ccc1O 94101488 XNLDTPXPQFJZRX-UHFFFAOYSA-N 302.305 3.050 0 40 DGAB FC(F)(F)c1ccncc1N1CCN(Cc2ccccc2)CC1 95080917 VNZRBPYJNXWNTN-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB Cc1c(C(=O)N(C)Cc2cnn(C)c2)cccc1-c1ccccn1 95438331 CNWKXNYWNWDBFY-UHFFFAOYSA-N 320.396 3.063 0 40 DGAB O=C(CCn1ccc(C(F)(F)F)n1)Nc1cccc(F)c1 95438753 PKXYWEQOPFQFKF-UHFFFAOYSA-N 301.243 3.070 0 40 DGAB Cc1ccc(CN2CCc3c(COC(C)C)nn(C)c3C2)s1 96058971 PTTXGIXEOTVREU-UHFFFAOYSA-N 319.474 3.273 0 40 DGAB Cc1cccc(CN2CCC[C@@]3(CCCN3C(=O)C(C)C)C2)n1 96214520 LTUGWTKVYNWILR-LJQANCHMSA-N 315.461 3.003 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)NCCCc2cn[nH]c2C)cc1 96436282 QOBGIUIZJBEADQ-UHFFFAOYSA-N 324.384 3.044 0 40 DGAB COc1ccc(CN(Cc2nnc(C)o2)C(C)(C)C)c(OC)c1 96474636 VNFNDDJTGCLXRQ-UHFFFAOYSA-N 319.405 3.196 0 40 DGAB Cc1ccc(-c2nc(OCC(F)(F)F)cc(C(=O)O)n2)cc1 96524192 FVDHRXDFAZUZPP-UHFFFAOYSA-N 312.247 3.091 0 40 DGAB O=C(Cn1ccc(-c2ccsc2)n1)NCCc1ccsc1 97009584 IXTLOTVLQISTEE-UHFFFAOYSA-N 317.439 3.032 0 40 DGAB CC(C)(C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1cccs1 97039547 VTTJDHUMVVLKNI-LBPRGKRZSA-N 309.431 3.129 0 40 DGAB OCc1cccc(NCc2ccn(-c3c(F)cccc3F)n2)c1 97048076 NTNGPQNFTLTLHC-UHFFFAOYSA-N 315.323 3.255 0 40 DGAB CC(C)n1cc(NC(=O)N(C)C[C@@H](C)c2nccs2)cn1 97107490 AAVXRABNEOGLPB-LLVKDONJSA-N 307.423 3.188 0 40 DGAB CCn1cc(N[C@H](C)c2nc(Cc3ccc(F)cc3)no2)cn1 97377292 KKKDWICKBRNJFK-LLVKDONJSA-N 315.352 3.189 0 40 DGAB Cc1c(C(=O)N[C@@](C)(CO)C2CCCCC2)cnn1C(C)(C)C 97377627 QBWLCXYLMPUIEY-SFHVURJKSA-N 321.465 3.008 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C1=O 100405663 HFPGREXJLCMVAK-LWWSYDQCSA-N 301.773 3.350 0 40 DGAB CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)Nc1ccccc1F 101395743 HZGQVIXLKQQDIO-MUAYPFOZSA-N 322.405 3.022 0 40 DGAB CC[C@H](C)N(C)CCNC(=O)N(C)[C@H](C)c1ccc(C)cc1 107578466 XLWASFMLSARGGW-JKSUJKDBSA-N 305.466 3.428 0 40 DGAB Cc1ccc(F)c(CN[C@H](C[S@@](C)=O)c2ccccc2)c1 154707400 JIZNWQKZXVJSAY-UTKZUKDTSA-N 305.418 3.344 0 40 DGAB FC(F)(F)[C@@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 171542786 SBMZBFABOCTQMR-GFCCVEGCSA-N 314.355 3.246 0 40 DGAB CC1(C)C[C@H](NCc2ccc(N3CCOC3=O)cc2)C(C)(C)O1 183743227 MQIFTLNKXIIAFZ-HNNXBMFYSA-N 318.417 3.079 0 40 DGAB O=C1Nc2ccccc2[C@H]1Cc1ccc(O)c(Br)c1 217473685 FSXMDVYLGSUCLI-LLVKDONJSA-N 318.170 3.433 0 40 DGAB COc1cc(C)c(S(=O)(=O)NC(C(C)C)C(C)C)c(C)c1 222772609 GHFRSBRFJKHFDZ-UHFFFAOYSA-N 313.463 3.271 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222949785 KOAPBBMQXRAPBF-CABCVRRESA-N 300.431 3.182 0 40 DGAB CCc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2)cc1 224262681 GYMHKLJDYYDOIU-UHFFFAOYSA-N 311.389 3.283 0 40 DGAB CCN(c1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1 224682850 LBGZSRDVUZHZGE-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB COc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)c(OC)c1 225111574 YFUYLQHIXPPXCE-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB COc1ccc(CCCNC(=S)Nc2cc(C)ccn2)cc1 225558052 MQKDTWSZFUENJQ-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCOc1ccccc1 257223930 DZOYGFGZOYHXFT-INIZCTEOSA-N 313.401 3.241 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)Cc3ccsc3)C2)s1 257250834 JOEOYBWTJPOBOJ-ZDUSSCGKSA-N 306.456 3.462 0 40 DGAB Cc1cnc(NC(=O)c2cccnc2-c2cncs2)s1 257343137 ZRQDRHLNTWGSRL-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(Cc2ccncc2)C3)c1 306125902 DFECOMNPIRTPAT-UHFFFAOYSA-N 304.397 3.269 0 40 DGAB CCn1cc(CNc2nc3cc(OC)c(OC)cc3s2)cn1 539709021 UMPBGNMBYYXEGN-UHFFFAOYSA-N 318.402 3.142 0 40 DGAB O=C(NCCc1ccc(-c2ccsc2)s1)[C@H]1CCOC1 575414055 MVTSHBBVZACYIQ-NSHDSACASA-N 307.440 3.172 0 40 DGAB c1cnc(OC[C@H]2CCCN(c3ccc4ccccc4n3)C2)nc1 1775971735 UHJGJGBMIMMHDR-HNNXBMFYSA-N 320.396 3.320 0 40 DGAB Cc1nn(C(=S)NCc2ccccc2)c2c1[C@H]1[C@@H](C2)C1(C)C 486134 ZQNSQMGDJWGYOI-CZUORRHYSA-N 311.454 3.410 0 40 DGAB biogenic COc1ccccc1[C@H]1NC(=O)c2c(sc3c2CCCC3)N1 565715 HDWIUGOCUBQWOK-HNNXBMFYSA-N 314.410 3.490 0 40 DGAB Cc1ccc(C)c(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 1246981 DHSXCBKXUVMQRP-UHFFFAOYSA-N 322.364 3.113 0 40 DGAB C1=NN2C(=NC3=C(CCc4ccccc43)[C@@H]2c2ccccc2)N1 1251892 FQMCCKNWCBHRAB-SFHVURJKSA-N 300.365 3.303 0 40 DGAB CCO[P@@](=O)(C(NC(C)=O)=C(Cl)Cl)c1ccccc1 3109703 SGQKTZOUCXHAMI-LJQANCHMSA-N 322.128 3.367 0 40 DGAB COC[C@H](C)Nc1nc(-c2ccc(OC)cc2OC)cs1 3326574 DTVHMJNRHXLAQB-JTQLQIEISA-N 308.403 3.274 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1nnc(C2CC2)s1 3550740 QEFYTQUQCSKEKW-UHFFFAOYSA-N 309.778 3.086 0 40 DGAB CC(=O)Oc1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 4714065 YLHLFBSZTMRHAA-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB COc1ccccc1N1CCN(C(=O)c2cccc(C)c2C)CC1 5392364 GLCWJOSBCCRQMN-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB C[C@@H](Sc1nc(-c2ccco2)cc(C(F)(F)F)n1)C(=O)O 5881221 ORHGLKNUJMIPHV-ZCFIWIBFSA-N 318.276 3.321 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN1c2ccccc2C[C@H]1C 6821037 GBRBYEQGKQLIAY-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB COc1cccc(CSCC(=O)NCc2cccs2)c1 6845716 HFFSOZJKWRACES-UHFFFAOYSA-N 307.440 3.306 0 40 DGAB CN(CC(=O)Nc1ccc(F)cc1)C(=O)c1ccc(Cl)cc1 7407622 ISKUPKBGDGTKFT-UHFFFAOYSA-N 320.751 3.190 0 40 DGAB COC(=O)c1sccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 7441347 OCHBHQHGZUUJKB-LLVKDONJSA-N 319.382 3.249 0 40 DGAB CCOc1ccccc1N[C@@H](C)C(=O)Nc1nc(C)cs1 7460536 JWXIXZBLIKKERI-NSHDSACASA-N 305.403 3.289 0 40 DGAB O=c1c2ccsc2ncn1CCOc1ccccc1Cl 7495130 RFBKREABVDNQEJ-UHFFFAOYSA-N 306.774 3.190 0 40 DGAB O=C([C@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 8086185 XWEFFZHNEYXJAT-CQSZACIVSA-N 316.426 3.181 0 40 DGAB Cc1cn2c(=O)cc(COc3ccc(Cl)cc3)nc2s1 8603509 ZYKNMVILYAYZJW-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB CCc1nc2ccc(NC(=O)c3cnc(C(C)(C)C)nc3)cc2[nH]1 12116929 XTDSQMUYZWXQDE-UHFFFAOYSA-N 323.400 3.465 0 40 DGAB COc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cn1 12821663 SSNPVPSBURKYHM-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB COc1cc(-c2nc3cc(N)ccc3o2)cc(OC)c1OC 12856725 HVSQIFZUOAJQOV-UHFFFAOYSA-N 300.314 3.103 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(C(=O)O)cc2C)cc1C 13391188 JNOJYFNPAVRGCV-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 14158883 LLPPIDFHGCBCDR-UHFFFAOYSA-N 303.745 3.270 0 40 DGAB CCOc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1 14898906 VBTBBAYVSIRFCK-UHFFFAOYSA-N 321.380 3.452 0 40 DGAB CCN(CC)c1ncnc2c1cnn2-c1cccc(Cl)c1 17288046 WZYZZADFHBYHCJ-UHFFFAOYSA-N 301.781 3.315 0 40 DGAB CCc1nnsc1C(=O)NCc1ccc2[nH]c(C)c(C)c2c1 19521905 ZWOIDHWDBUOFDT-UHFFFAOYSA-N 314.414 3.129 0 40 DGAB Cc1ccccc1-c1noc(-c2sc3nc[nH]c(=O)c3c2C)n1 21730316 JSMSPGYWCMLEAZ-UHFFFAOYSA-N 324.365 3.318 0 40 DGAB Cc1ccc(O)c(C(=O)NCCSCc2cccs2)c1 24640682 XQECKIHBZLUHAM-UHFFFAOYSA-N 307.440 3.425 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)C1=Cc2cc(Cl)ccc2OC1 25467171 JPTFJFWCAHUTDD-UHFFFAOYSA-N 317.776 3.105 0 40 DGAB Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=O)c1ccncc1 27921917 VDXNXDOBDCEYMD-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB CN1CCN(C(=O)c2cc3ccccc3[nH]2)[C@@H](c2ccccc2)C1 30029994 LVCMJARFKNEHAF-LJQANCHMSA-N 319.408 3.297 0 40 DGAB COC(=O)c1cccc(CN[C@H](C)c2ccc(OC)c(F)c2)c1 32836292 BBXPWQLHIJWHMC-GFCCVEGCSA-N 317.360 3.472 0 40 DGAB CNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(F)c2)cc1 32903306 OMLICGROWPAGNI-UHFFFAOYSA-N 301.321 3.138 0 40 DGAB CCC(CC)N(C(=O)[C@@H]1CC(=O)Nc2ccccc21)C1CC1 32925596 BSTCWLIULQCORO-OAHLLOKOSA-N 300.402 3.292 0 40 DGAB O=C1CCc2cc(NC(=O)c3ccc4ccccc4n3)ccc2N1 33065674 WCNVWISKLXSGFJ-UHFFFAOYSA-N 317.348 3.372 0 40 DGAB CC(C)(C)NC(=O)N1CCC(c2nnc(-c3ccco3)o2)CC1 38670513 QPLSIIBFDSNLDD-UHFFFAOYSA-N 318.377 3.017 0 40 DGAB CC(C)n1nccc1NC(=O)CCCc1nc(C(C)(C)C)no1 42361956 MBCCMXKUOVUCGN-UHFFFAOYSA-N 319.409 3.106 0 40 DGAB CCOC(=O)[C@@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957981 DIGAELVOZJPIDJ-KZUMUSTHSA-N 319.445 3.003 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(F)cc2F)C1 47416373 QVRMNTSWPAPDJC-STQMWFEESA-N 310.388 3.063 0 40 DGAB COc1ccccc1C(=O)NCc1ccc(Br)cc1 48817127 YLBPDHZRDAOTDN-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB Cc1cc(N2CCSCC2)ccc1NC(=O)N1CCCC1 51236511 XMZRWMPVUIVDOJ-UHFFFAOYSA-N 305.447 3.176 0 40 DGAB c1cnc(N2CCC[C@H](Nc3nc4ccccc4s3)C2)nc1 52426960 OFTGQWYFMMWIGU-LBPRGKRZSA-N 311.414 3.167 0 40 DGAB NC(=O)c1ccc(CN2CCC(COc3ccccc3)CC2)cc1 55081619 RLETWANEEDKJKY-UHFFFAOYSA-N 324.424 3.077 0 40 DGAB COc1cc(C(C)=O)ccc1OCc1nc2ccccc2n1C 58283297 FWRCYUVTUKITIR-UHFFFAOYSA-N 310.353 3.364 0 40 DGAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1 64386541 ODQNNMYBXSXZBL-ZIAGYGMSSA-N 322.368 3.181 0 40 DGAB CCOc1c(OC)cc(CNC(=O)c2cccs2)cc1OC 64454827 OLBIACFBBLGGTE-UHFFFAOYSA-N 321.398 3.094 0 40 DGAB CCc1cccc(NC(=O)N[C@H](C)c2c(C)nn(C)c2C)c1 65357414 JRRFLWBVKULPPD-LLVKDONJSA-N 300.406 3.482 0 40 DGAB COC(=O)c1cnc(/C=C/c2ccc(OC)c(OC)c2)s1 69418869 KNGGLCNEQUYWMV-FNORWQNLSA-N 305.355 3.117 0 40 DGAB C[C@@H](c1ccccc1)[C@H](CO)NC(=O)Nc1ccc(F)cc1F 69669773 ZZTCUGJQPHOOBO-ZBEGNZNMSA-N 320.339 3.251 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3Cn3cccn3)cc2c1 69876630 NIZLTZSWEGNVCX-OAHLLOKOSA-N 309.369 3.243 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@@H](n2ccnc2)C1 69917442 AIJVJAMWNSWJCZ-GFCCVEGCSA-N 321.783 3.082 0 40 DGAB O=C(NCc1ccccc1CO)C1(c2cccc(Cl)c2)CC1 71841448 JSGVODDUYFNSFP-UHFFFAOYSA-N 315.800 3.180 0 40 DGAB C[C@@H](NC(=O)COC[C@@H]1CCCO1)c1csc2ccccc12 71879992 YPFBMPHGIIAWET-OLZOCXBDSA-N 319.426 3.274 0 40 DGAB CC[C@@H](N[C@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O 71902574 YCODENVLHVCKIP-ZWNOBZJWSA-N 303.431 3.033 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc(-n2ccnc2C)cc1 72240513 DQASBZWENDQICO-UHFFFAOYSA-N 324.384 3.357 0 40 DGAB Cc1ccnc(-c2ccc(NC(=O)CC[C@@H]3CCCO3)cc2)n1 72285480 CKDGDKXHXIZJQO-INIZCTEOSA-N 311.385 3.350 0 40 DGAB Cc1ccccc1[C@@H](C)CC(=O)NC[C@@H]1CCN(C(C)C)C1 72286489 XMQMHSQUSCIWTA-IRXDYDNUSA-N 302.462 3.335 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C(C)C)cn1 72330277 OBBILLUGACJPOD-UHFFFAOYSA-N 312.369 3.309 0 40 DGAB Cc1cccc(NC(=O)N2CCC(n3cncn3)CC2)c1Cl 72581291 KWFIZBQNGFJFLN-UHFFFAOYSA-N 319.796 3.109 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccccc2C(C)=O)c1 72879762 WMHYCAQQEXUECK-GFCCVEGCSA-N 324.380 3.339 0 40 DGAB Cc1cc(NC(=O)[C@H]2CCOc3ccccc32)nc(C(C)C)n1 76801326 ZHICFRVUXTWEGQ-AWEZNQCLSA-N 311.385 3.413 0 40 DGAB O=C(NCCCc1nccs1)[C@H]1SCCc2sccc21 79947579 UOYOXOVLEOGCNA-ZDUSSCGKSA-N 324.496 3.284 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)C)s2)s1 83956252 BFJKQAQBIAGBDX-UHFFFAOYSA-N 317.461 3.006 0 40 DGAB COc1ccc(CNc2cccc(C(N)=O)c2C)c(Cl)c1 84491364 HEGIDMURTLJKAA-UHFFFAOYSA-N 304.777 3.368 0 40 DGAB O=C(N[C@H]1CCCc2occc21)c1cncn1-c1ccccc1 84576760 KDXSBKVKFTWMNE-HNNXBMFYSA-N 307.353 3.273 0 40 DGAB C[C@H](CCN[C@H]1CC2(CCC2)Oc2ccccc21)[S@](C)=O 90518249 RBUMWEATONXZAT-VWVPQACVSA-N 307.459 3.180 0 40 DGAB O=C(N[C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccco1 91059627 PPJZJMBYCZFZNH-TZMCWYRMSA-N 309.724 3.332 0 40 DGAB C[C@@H](NC[C@@H](O)c1ccco1)c1nc2cc(Cl)ccc2n1C 91281826 HMLJDISJCQPMRC-QMTHXVAHSA-N 319.792 3.204 0 40 DGAB Nc1ncc2ccc(-c3ccc(O[C@@H]4CCCCO4)cc3)nc2n1 95092866 IDWQEAJNRDBXHP-MRXNPFEDSA-N 322.368 3.179 0 40 DGAB C[C@@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1nccs1 95460282 DZVBPLKZXWHQGE-LLVKDONJSA-N 313.382 3.462 0 40 DGAB CC1(C)[C@H]2CCCC[C@H]2[C@H]1NCCC(=O)NCc1ccccc1 95971783 ISOPDDHDXLSXJK-ZIFCJYIRSA-N 314.473 3.497 0 40 DGAB CC(C)OC[C@H](O)COc1ccc(Cl)c2c1C(=O)C[C@@H]2C 95974921 NNRFKKBZRAKGEM-QWRGUYRKSA-N 312.793 3.195 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1ccon1 95987057 IYQKPPYHSGGZNU-UHFFFAOYSA-N 304.309 3.266 0 40 DGAB CC(C)(C)OC(=O)NCC1(Cc2ccccc2F)CCNCC1 96029501 ULDDNWFBCDZNFB-UHFFFAOYSA-N 322.424 3.263 0 40 DGAB CCN1CC2(CCN(C(=O)c3cccnc3)CC2)c2ccccc21 96078775 GTRDIBVHRAGABJ-UHFFFAOYSA-N 321.424 3.096 0 40 DGAB CC(C)Cc1nc(NC(=O)CCc2c[nH]c3ccccc23)n[nH]1 96114528 JWPSLXNRUPVCDO-UHFFFAOYSA-N 311.389 3.056 0 40 DGAB biogenic CC(C)(C)[S@](=O)Cc1cccc(NC(=O)c2ccncc2)c1 96407253 SUMRGKKJPLJWHH-QFIPXVFZSA-N 316.426 3.381 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)n1 96432884 ATMCEPFAQIECFH-FUHWJXTLSA-N 310.397 3.118 0 40 DGAB COCc1ccccc1NC(=O)N1CCC(OCC2CC2)CC1 96434003 CWPXFTOJZFFACN-UHFFFAOYSA-N 318.417 3.256 0 40 DGAB CSc1ccc(NC(=O)N2CCO[C@@H](C)C2)cc1Cl 96447285 XBNLWHTWNFMYPB-VIFPVBQESA-N 300.811 3.315 0 40 DGAB Cc1cnccc1NC(=O)N(Cc1ccco1)C[C@H]1CCCO1 96489252 RJTNLCFSAMGFOY-OAHLLOKOSA-N 315.373 3.196 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)Nc2ccnn2Cc2ccsc2)CCO1 97053270 XYTPOAKOMKLVGL-UONOGXRCSA-N 319.430 3.137 0 40 DGAB Cn1nc(C2CCC2)cc1NC(=O)NCCC[C@H]1CCCCO1 97138323 WRJXFJDEXITFHL-CQSZACIVSA-N 320.437 3.158 0 40 DGAB CCCCOC(=O)[C@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752552 WBCQHNBLFFDKMX-CWRNSKLLSA-N 322.449 3.225 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)cc1 101275116 HERNHWQSTZCEKO-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB O=C1Nc2ccccc2C12CCN(Cc1ccc(F)cc1)CC2 109851348 KPMRZKSKGQKESL-UHFFFAOYSA-N 310.372 3.312 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCCN(C2CCC2)CC1 179566018 YRKSKGNOTNFSIP-UHFFFAOYSA-N 307.825 3.432 0 40 DGAB C[C@H](Nc1ccc(Oc2cccc(F)c2)cc1)c1nnnn1C 189786410 KRSSTEHDEMPYAX-NSHDSACASA-N 313.336 3.315 0 40 DGAB COCCCNC(=S)Nc1ccc(Oc2ccccc2)nc1 223890294 LLXZJUMXMCBQOE-UHFFFAOYSA-N 317.414 3.197 0 40 DGAB O=C(O)CCSc1nnc(-c2ccc(Cl)cc2Cl)[nH]1 224972828 DZFCUFCZPCLKSS-UHFFFAOYSA-N 318.185 3.345 0 40 DGAB CCOc1ncc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)cc1C 225889870 RSALYXIVETWHJT-SJCJKPOMSA-N 306.406 3.323 0 40 DGAB CC(C)CNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152402 DFWWNMFIDIBVBJ-LBPRGKRZSA-N 321.808 3.065 0 40 DGAB O=C(NCc1cccs1)c1ccnc(OC2CCCC2)c1 252497784 QPPJEOLWCABZGY-UHFFFAOYSA-N 302.399 3.395 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257326675 WYDZPDMOEJWZCW-MRXNPFEDSA-N 302.349 3.478 0 40 DGAB CC(C)C(=O)N1N=C(C2CCCCC2)C[C@@]1(O)C(F)(F)F 409351342 SOHOPWUNFMHCDL-CYBMUJFWSA-N 306.328 3.062 0 40 DGAB Cn1ncc2c(N[C@H]3C[C@H](c4ccccc4Cl)C3)ncnc21 549701762 AAZKGZFTDVWJPB-XYPYZODXSA-N 313.792 3.375 0 40 DGAB CC(C)c1nc(=NCc2nc(-c3ccccn3)cs2)s[nH]1 585092286 NCUUFACXUWFOAR-UHFFFAOYSA-N 317.443 3.214 0 40 DGAB COc1cnc(F)c(NC(=O)CCCOCc2ccccc2)c1 585129166 ZXLRXMMBHCZOTQ-UHFFFAOYSA-N 318.348 3.165 0 40 DGAB Cc1cscc1C(=O)Nc1ccc([C@H]2C[C@@H]2C(=O)O)cc1 1549718856 BDQNPTBXQLVUBK-OLZOCXBDSA-N 301.367 3.497 0 40 DGAB CO[C@@H](C)C(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1 2060999716 NNHVYBLTABUXLG-LBPRGKRZSA-N 324.332 3.400 0 40 DGAB COC(=O)c1c(NC(=O)c2ccccc2)sc2c1CCC2 38692 VXJGXSSIZRLTRV-UHFFFAOYSA-N 301.367 3.276 0 40 DGAB CN(C)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCC2 64696 KIUKOPAZCRIVFC-UHFFFAOYSA-N 320.439 3.252 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(F)cc1 72492 IOEMSSUZVXQHBV-UHFFFAOYSA-N 301.346 3.433 0 40 DGAB aggregator Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccccc2F)cc1 88071 IPELQTFGNSUJLN-UHFFFAOYSA-N 320.331 3.167 0 40 DGAB CC(=O)N1[C@H](c2ccc(Cl)cc2Cl)SC[C@H]1C(=O)O 226171 GKPFYCPDYDOIQH-QWRGUYRKSA-N 320.197 3.041 0 40 DGAB Cc1ccc(NC(=O)CCn2c(=O)sc3ccccc32)cc1 245984 YWEJZXPRXTYHOW-UHFFFAOYSA-N 312.394 3.400 0 40 DGAB Cc1nnc(NC(=O)COc2ccc(Cl)cc2Cl)s1 795354 CXVKGCDAMONXQU-UHFFFAOYSA-N 318.185 3.171 0 40 DGAB Cn1nc2c(c1C(C)(C)C)C(=O)c1cc(NC(=O)C3CC3)ccc1-2 2543628 FTWGLJOQEAJKAP-UHFFFAOYSA-N 323.396 3.278 0 40 DGAB COC(=O)C1=Cc2cc(Cl)cc(Br)c2OC1 2599368 NQICXKLEHLGYEI-UHFFFAOYSA-N 303.539 3.051 0 40 DGAB Cc1nnc(SCC(=O)N[C@H]2CCCc3ccccc32)s1 2647002 MYLWCSJFNOOYOF-ZDUSSCGKSA-N 319.455 3.132 0 40 DGAB COc1ccc(Cl)cc1C(=O)OCC(=O)Nc1ccccc1 3497925 SPWKUDNDQUXFOO-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(=O)Oc1cs/c(=N\c2cccc(Cl)c2)n1C(C)=O 5375743 AWZRQRKJWAEAFC-SQFISAMPSA-N 310.762 3.021 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)C(C)C)c(Br)c1 6127350 UDGJAGPCSSQUKK-LLVKDONJSA-N 314.223 3.297 0 40 DGAB COc1ccc2c(CC(=O)Nc3nc4ccccc4[nH]3)coc2c1 6506248 ZJHMFOCALJRPLH-UHFFFAOYSA-N 321.336 3.499 0 40 DGAB O=C(OCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)OCO2 6609970 MQPHAXNXELVMBI-UHFFFAOYSA-N 323.304 3.427 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@H](Sc1ncccc1C(=O)O)C2=O 6617313 KLGUXBXVONFYAQ-KANYHAFZSA-N 305.399 3.266 0 40 DGAB NC(=O)c1c(NC(=O)Oc2ccccc2)sc2c1CCCC2 6885393 PBHCMXPHUINMGY-UHFFFAOYSA-N 316.382 3.337 0 40 DGAB O=C(Nc1ccnn1Cc1ccccn1)c1cc2c(s1)CCC2 8185300 VLKNONRXIMCHHZ-UHFFFAOYSA-N 324.409 3.129 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3n2C)C1 8424652 RZEUOQRICBBCDK-STQMWFEESA-N 317.458 3.170 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1C 8714825 OSJBXRZKWOETGO-BXUZGUMPSA-N 311.447 3.169 0 40 DGAB CN(C)C1(CNC(=O)COc2cccc(Cl)c2)CCCCC1 8830907 XYSICIUJBZSYIK-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB CCc1cccc(C)c1NC(=O)c1ccc(CNC(C)=O)cc1 8936877 SQPBLGNJXJWHFZ-UHFFFAOYSA-N 310.397 3.446 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1)c1cccc(F)c1 9317611 FWRKIUJGHGFFQR-MRXNPFEDSA-N 324.359 3.470 0 40 DGAB COc1ccc(CCNC(=O)c2ccc3[nH]ccc3c2)cc1OC 9341126 UTIHPZZMONAQFY-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB CCn1c(=O)c2ccccc2n2c(-c3ccc(C)cc3)nnc12 9482703 KBSXXNHKYUTFCC-UHFFFAOYSA-N 304.353 3.040 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)cc1)N1CCc2sccc2C1 10764267 VIBPLBRYWVCZGY-LLVKDONJSA-N 304.390 3.273 0 40 DGAB CCN(CC)c1nc(C)nc2c1CCN(Cc1ccccc1)C2 12142742 WYJBTHJMUPWVMJ-UHFFFAOYSA-N 310.445 3.190 0 40 DGAB Cn1nccc1C(=O)N[C@H]1[C@H]2CCCC[C@H]2[C@@H]1c1ccccc1 12162205 CRYPYYFHVZFRLT-FZCLSBEQSA-N 309.413 3.122 0 40 DGAB CCOC(=O)Cn1nc(C2CC2)c2c(C(F)F)cc(C)nc21 12396257 DLOKRUMEALBWRA-UHFFFAOYSA-N 309.316 3.118 0 40 DGAB O=C(c1cncn1-c1ccc(F)cc1)N1CCc2ccccc2C1 12547783 FHSBYNUOXVQWGK-UHFFFAOYSA-N 321.355 3.210 0 40 DGAB Cc1ccccc1CSc1nc2nc3c(cn2n1)C(=O)CCC3 13634150 DALHMRLZCSUKGR-UHFFFAOYSA-N 324.409 3.244 0 40 DGAB Cc1ccc([C@@H](CNC(=O)Cc2ccc(Cl)cc2)N(C)C)o1 15860147 KQGIQKYJWYGCCV-OAHLLOKOSA-N 320.820 3.203 0 40 DGAB COc1ccc(C(=O)NCCSCc2cccs2)c(O)c1 18201551 VMWGSBZTPWIRMH-UHFFFAOYSA-N 323.439 3.126 0 40 DGAB Cc1csc([C@H](Cc2cccs2)NC[C@H]2CCOC2)n1 19240065 AYVYFHARSMCODH-OCCSQVGLSA-N 308.472 3.423 0 40 DGAB O=C(NCc1cccs1)c1cc(-c2ccc(F)cc2)n[nH]1 20856619 VDXHUTLEBXSAJO-UHFFFAOYSA-N 301.346 3.207 0 40 DGAB CN(Cc1nc2ccccc2n1C(F)F)C(=O)c1ccncc1 23880413 MOJDXEISQKLCBI-UHFFFAOYSA-N 316.311 3.099 0 40 DGAB Cn1ccc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)n1 24153695 CSAJVPORGYSZCR-UHFFFAOYSA-N 311.366 3.293 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)Cc1cn2ccccc2n1 25113783 JANAWQLVYXNTCD-AWEZNQCLSA-N 323.396 3.105 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1(C)C 27988916 UOEXTZQCXMFLIJ-RISCZKNCSA-N 319.474 3.308 0 40 DGAB CCCCN(CC)C(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 29606364 ISPROXSJTFKDMK-INIZCTEOSA-N 318.417 3.066 0 40 DGAB C[C@H](C1CC1)N(CC(=O)Nc1ccccc1OC(F)F)C1CC1 29725330 VNDCEPLWGBGENN-LLVKDONJSA-N 324.371 3.489 0 40 DGAB Cc1nc2ccccc2nc1NCc1ccc(-n2ccnc2)nc1 30003830 RKOBHHIIIXWLJN-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB Nc1cc(-c2nc3cc(-n4cnnc4)ccc3o2)ccc1Cl 30714863 YMCFDFLKGGMMLD-UHFFFAOYSA-N 311.732 3.311 0 40 DGAB Cc1ccccc1C(=O)NCc1ccc(-n2ccnc2C)cc1 30847203 AUOMLFJGTAATMU-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(C)cc2)c1 30857067 WQZBWGUYPLCETB-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(CC)cc2)c(CC(=O)O)s1 31976103 SVMMIBIMLXNZMW-UHFFFAOYSA-N 318.398 3.348 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1C 32787186 LXCYJNZZXBGQRB-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB COC(=O)c1cccc(CN[C@@H](C)c2ccc(OC)c(F)c2)c1 32836290 BBXPWQLHIJWHMC-LBPRGKRZSA-N 317.360 3.472 0 40 DGAB CCONC(=O)c1sc2nc(C)cc(C)c2c1-n1cccc1 32848338 OLJNDSWOLVOIGS-UHFFFAOYSA-N 315.398 3.385 0 40 DGAB CCOc1ccc(OC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 32986019 SZTIEUIXXBGVRG-UHFFFAOYSA-N 301.342 3.452 0 40 DGAB Brc1cnc2c(c1)CN(Cc1ccccc1)CC2 35269691 QCYFMEVUDPJISR-UHFFFAOYSA-N 303.203 3.402 0 40 DGAB Ic1ccc(NCc2ccccc2)nc1 38538316 VHDFKPLEYRDYCM-UHFFFAOYSA-N 310.138 3.298 0 40 DGAB CN(Cc1cccs1)C(=O)NCCCOc1ccccc1F 40071211 AMEZONMIFNIGBN-UHFFFAOYSA-N 322.405 3.498 0 40 DGAB O=C(NCCSC(F)(F)F)c1ccccc1OC(F)F 40118569 DIUWGGAMXGBCNO-UHFFFAOYSA-N 315.263 3.271 0 40 DGAB COc1ccc(CNC(=O)c2sc(NC(C)C)nc2C)cc1 40268469 ZJTHJFVMVYDPPN-UHFFFAOYSA-N 319.430 3.210 0 40 DGAB CCCOc1ccc2cc(S(=O)(=O)n3cccn3)ccc2c1 41092053 VYPFLHZNVMVWCB-UHFFFAOYSA-N 316.382 3.062 0 40 DGAB Cc1cc(C)cc(OCCC(=O)Nc2c(C)nn(C)c2C)c1 44679250 GOSKNEZPJBWAAF-UHFFFAOYSA-N 301.390 3.061 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C[C@@H]2CCOC2)C2CC2)o1 46938029 JQXUPVMJNXZIND-KEYYUXOJSA-N 317.429 3.363 0 40 DGAB Cc1ccccc1-n1c(SCC(=O)O)nnc1-c1ccco1 48229500 WYQTYGZWORBNJZ-UHFFFAOYSA-N 315.354 3.012 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccsc2)c1 48332093 BVIICCRRFZRGOU-LBPRGKRZSA-N 316.426 3.206 0 40 DGAB CCCc1noc([C@H](C)N2CCC(N3CCCCC3)CC2)n1 52005197 WKLYDXZGOQTVSG-AWEZNQCLSA-N 306.454 3.033 0 40 DGAB Cc1cc(C[C@@H](C)NC(=O)CCn2c(C)cc3ccccc32)[nH]n1 55325221 IYHIAFAAPWEOPE-CYBMUJFWSA-N 324.428 3.119 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)N1CCc2sccc2C1 55618719 FVJZNWKBAHEVRS-LBPRGKRZSA-N 316.426 3.142 0 40 DGAB O=C(COC1CCCC1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55946637 JXNKBMAKAIBEEX-SJLPKXTDSA-N 321.392 3.121 0 40 DGAB Cc1nc(-c2nnc(NC(=O)c3ccc(F)c(F)c3)o2)cs1 56904085 NXHZLVPTVUJEAA-UHFFFAOYSA-N 322.296 3.032 0 40 DGAB COc1ccc(CNc2nc(C3CC3)nc3c(C)nn(C)c23)cc1 57356027 NYSBOSXKNJHCHY-UHFFFAOYSA-N 323.400 3.170 0 40 DGAB O=C(c1ccccc1)c1ccc2n1CC[C@H]2C(=O)N1CCCCC1 57476760 XLRXVIVFGOKIRM-MRXNPFEDSA-N 322.408 3.219 0 40 DGAB CCCCN1CCCC[C@@H]1CNC(=O)c1ccccc1OCC 58155693 ATCCKANBYDFCQL-MRXNPFEDSA-N 318.461 3.470 0 40 DGAB C[C@@H](Sc1ccc(O)cc1)C(=O)NCc1ccccc1F 58264824 CUVAFXYURCPGKC-LLVKDONJSA-N 305.374 3.328 0 40 DGAB C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1cccnc1 58266700 UNSXSDCIMQHXOJ-JQWIXIFHSA-N 322.459 3.377 0 40 DGAB COc1ccc(CN(C)C(=O)CCc2ccc(F)cc2)cc1 60882473 VTCVSIBPXKEQJK-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB Cc1nc(-c2ccccc2)sc1CNC(=O)c1cccnc1 66554086 KOQTUSYVEHZERN-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB Cc1cnn(C[C@@H](C)NCc2cc(-c3cccs3)on2)c1 69598018 KAFOYKIUUFVDRL-GFCCVEGCSA-N 302.403 3.086 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCO3)c2cccnc12 69701889 AURCJDWDBSSLDW-UHFFFAOYSA-N 320.348 3.453 0 40 DGAB Cc1ccc(F)c(C(=O)NCc2ccc(Cn3ccnc3)cc2)c1 69843015 FEFNVBSBZBPFTG-UHFFFAOYSA-N 323.371 3.309 0 40 DGAB CCNc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72213114 GIGPIEUKBPNAHY-UHFFFAOYSA-N 321.421 3.391 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H](c3noc(C)n3)C2)c(C)o1 72231659 FWKREDLRZWTWHE-BXUZGUMPSA-N 317.389 3.098 0 40 DGAB CCn1cc(-c2cc(O)n3ncc(-c4ccccc4)c3n2)c(C)n1 72391372 BTIPTYPJTGBTGC-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB Cc1nc(CNC(=O)N2CC[C@H](Cc3ccccc3)C2)oc1C 73813764 FSQZGTLUEYMHQX-MRXNPFEDSA-N 313.401 3.066 0 40 DGAB CC[C@H](NC(=O)NCc1ccnc(C)n1)c1cc(F)ccc1F 77544782 GECLLEMHFHSDRO-HNNXBMFYSA-N 320.343 3.014 0 40 DGAB CCn1cc([C@@H]2OCC[C@H]2CNCc2cccc3[nH]ccc23)cn1 78880575 WJUVALKYSXEMCN-HNAYVOBHSA-N 324.428 3.252 0 40 DGAB Fc1cc(Br)ccc1OCCC1OCCCO1 89064046 KNNVMQPFTQQFFW-UHFFFAOYSA-N 305.143 3.120 0 40 DGAB CSc1nnc(SC[C@H](O)c2cc(F)ccc2F)s1 89496671 AHXCEPYMMIHPKZ-VIFPVBQESA-N 320.411 3.364 0 40 DGAB Cc1nn(C(C)C)c(C)c1[C@@H](C)NCC(=O)NC1CCCCC1 89591308 BONASKJNHQIESQ-CYBMUJFWSA-N 320.481 3.180 0 40 DGAB CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(C)C 89950235 SCWIJEOUMOIISQ-CYBMUJFWSA-N 300.443 3.232 0 40 DGAB Cc1nccn1CCN1CCC(OCc2ccccc2F)CC1 91868335 QSFZAOPQXRXQCJ-UHFFFAOYSA-N 317.408 3.012 0 40 DGAB C[C@@H](Cc1ccc(F)cc1)NC[C@@H]1CCN(CC(F)(F)F)C1 95420498 WNNDRCJAHWBGGP-JSGCOSHPSA-N 318.358 3.231 0 40 DGAB O=C(OC1([C@H]2CCOC2)CC1)c1cnc2ccc(F)cc2c1 95443313 OEUUDEJLORSDNG-ZDUSSCGKSA-N 301.317 3.100 0 40 DGAB Cc1oncc1NC1CCN(c2ccc(N(C)C)cc2)CC1 96009183 DNNOWIOUYJLCNP-UHFFFAOYSA-N 300.406 3.130 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)Nc2cccs2)cc1 96103289 PGPPAWAZIDCBIA-LBPRGKRZSA-N 308.428 3.325 0 40 DGAB O=C(NC[C@H]1COC2(CCCCC2)O1)C1CCC(F)(F)CC1 96492987 PATHXUMQYCFDEC-ZDUSSCGKSA-N 317.376 3.004 0 40 DGAB CCc1cc(C(=O)N(CC(C)C)C2CCCCC2)cc(=O)[nH]1 96496471 OPLKSCGOYQAXAJ-UHFFFAOYSA-N 304.434 3.368 0 40 DGAB CC1CCC(O)(CS(=O)(=O)[C@@H](C)c2ccccc2F)CC1 97034894 BORKOFWYRAQMRU-UYJPIKCFSA-N 314.422 3.243 0 40 DGAB COCCOC1CCN(c2c(C)c(C)nc3ccccc23)CC1 97085962 LCBNNEFLUITQBS-UHFFFAOYSA-N 314.429 3.483 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1ccc(Cn2ccnc2)cc1 97159562 QFOWRNVVVVPPOT-UHFFFAOYSA-N 323.444 3.242 0 40 DGAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)Nc1cccnc1Cl 98015832 BTDLMSAMIKCIJP-WCQGTBRESA-N 309.797 3.060 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccc(F)cc2)C1=O 101275708 SJDZCZMNSFPHLI-OAHLLOKOSA-N 312.344 3.132 0 40 DGAB Cc1nn(-c2nc3ccccc3[nH]2)c(O)c1Cc1ccccc1 101457085 MMPHEDRGFRZVCM-UHFFFAOYSA-N 304.353 3.353 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@H]2CCCC[C@@H]2C(=O)O)C1 106021410 FZSCVNIWMJTNQQ-WZTLGTBRSA-N 307.434 3.305 0 40 DGAB O[C@H](CNC1CCSCC1)c1cccc(C(F)(F)F)c1 107713719 JGQAJMOVLNPZQT-CYBMUJFWSA-N 305.365 3.224 0 40 DGAB Cc1noc([C@H]2COCCN2Cc2c(C)oc3ccccc23)n1 188467448 SYGCVQIMMOVSLP-OAHLLOKOSA-N 313.357 3.006 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H]1CC[C@@H](O)C1 189701257 VDJIMQWLLQITTH-GDBMZVCRSA-N 320.433 3.203 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc(N3CCOCC3)cc2)cc1 216252504 ZGTVXZZQUKSUMP-UHFFFAOYSA-N 324.424 3.104 0 40 DGAB Nc1cc(OCc2cccc3ccccc23)cc(C(=O)O)c1O 216754179 DNOMACFVGXYZSF-UHFFFAOYSA-N 309.321 3.405 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)C 222456041 APNLJYKYDZPIPA-KRWDZBQOSA-N 318.461 3.427 0 40 DGAB COc1cccc(C[C@@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225100141 RXPIKIIFALAGEZ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CCC(=O)N1CCS/C1=C/c1nc(-c2ccccc2F)no1 225243415 LLGVHFBNDXNDSM-NTEUORMPSA-N 319.361 3.160 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)NCCCc2ccco2)cc1 225299568 KDVPNVITSDNQNE-UHFFFAOYSA-N 323.396 3.195 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)N[C@@H](C)CC 225455981 QBKDDXPEOFJKSP-JKSUJKDBSA-N 318.461 3.161 0 40 DGAB CCC1(NC(=S)Nc2ccc3c(c2)OCCO3)CCCC1 225857875 GDAACAHJFMCMQY-UHFFFAOYSA-N 306.431 3.467 0 40 DGAB CCCO[C@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@@H](C)C1 225910473 LZTAEPBTRZMOKE-CXAGYDPISA-N 306.406 3.404 0 40 DGAB CCN(C(=O)C(F)(F)F)c1ccc(NC(=O)C(C)C)cc1 226285210 NPYXJJWPBSNSRB-UHFFFAOYSA-N 302.296 3.196 0 40 DGAB COc1cc(/C=C/C(N)=O)ccc1OCc1ccccc1Cl 226336170 DZDRRQIKMZUJSD-VQHVLOKHSA-N 317.772 3.426 0 40 DGAB Cc1ccnc(NC(=O)C[C@H](CC(=O)O)c2cccs2)c1 226750996 GDVUWQUUTQLPAM-LLVKDONJSA-N 304.371 3.039 0 40 DGAB O=C(CCCn1cc(-c2ccc(Cl)cc2)cn1)NC1CC1 227154410 IOXNNDGLKXEHCB-UHFFFAOYSA-N 303.793 3.262 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2ccnc3ccccc23)C1 257227762 FQTRZCIQNUVFGB-CQSZACIVSA-N 320.396 3.053 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H](c2ccn[nH]2)C1 257248551 JEDUCAWNMATAIV-INIZCTEOSA-N 324.428 3.030 0 40 DGAB O=C(c1cccs1)N1CCn2c(-c3cccs3)cnc2C1 306134926 OBVKYJPMTAACDR-UHFFFAOYSA-N 315.423 3.329 0 40 DGAB Cc1ccc(CC(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714277 MSMFASKPNRWELZ-UHFFFAOYSA-N 321.380 3.246 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N(CCc2cccc3ccccc23)C1=O 558243515 DHVRYWBPHXVXIW-GUYCJALGSA-N 310.397 3.349 0 40 DGAB CC(C)c1ccc([C@@H]2CCCCN2C[C@](C)(O)C(=O)O)cc1 566361674 LCTIYAYCVPSPOR-WMZOPIPTSA-N 305.418 3.173 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1cccc(OC(F)(F)C(F)F)c1 575361258 VSQIOQSNZIVAJL-UHFFFAOYSA-N 322.254 3.448 0 40 DGAB O=C(NCCn1cc(-c2ccco2)cn1)c1cc2ccccc2o1 575616185 XQQIQWJGWZKEHS-UHFFFAOYSA-N 321.336 3.319 0 40 DGAB O=C(Nc1ccccc1F)[C@H]1CCCN(Cc2ccccn2)C1 585135544 PSFRYFCZICLISU-AWEZNQCLSA-N 313.376 3.071 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1CC1CCCC1 1557294937 LLZFCHXQPALOOT-OAHLLOKOSA-N 312.417 3.003 0 40 DGAB CC(C)(CNC(=O)COCc1ccccc1)c1ccsc1 1565523266 KLYNVKZVDLTVDD-UHFFFAOYSA-N 303.427 3.359 0 40 DGAB Clc1cccnc1OC[C@H]1CCCN(Cc2cccnc2)C1 1849487449 WBOXKEGTNBPRSC-HNNXBMFYSA-N 317.820 3.421 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc(Cl)c(F)c3)ccc2n1 1888913479 BQSLKBLUPHMOSV-UHFFFAOYSA-N 304.712 3.083 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 581765 LAVPURMRUSYEAD-UHFFFAOYSA-N 322.364 3.457 0 40 DGAB CN(C(=O)COC(=O)c1ccc2ccccc2n1)c1ccccc1 3235126 XSBXVRZOLLZOKK-UHFFFAOYSA-N 320.348 3.055 0 40 DGAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1ccccc1Cl)C2=O 3396901 JDEMWPQGDPHINM-MEDUHNTESA-N 306.793 3.341 0 40 DGAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@@H](c2ccccc2)[C@H]1C(=O)OC 4973009 YAQLZIKGHVLJJZ-USTZCAOPSA-N 324.376 3.146 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H](C)Oc2cccc(C)c2)cc1 6153715 UTPRZDFLQLNZRK-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccc(OC(F)F)cc2)cc1 6329219 BANHRRJUOBWLCI-UHFFFAOYSA-N 320.295 3.499 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC[C@H]1CO 6862934 XLWHKBQJNFAUPK-JTQLQIEISA-N 303.189 3.372 0 40 DGAB O=C(CSc1nnc(C2CC2)o1)Nc1ccc2c(c1)CCC2 7289311 XIJRTUMOWWRDGP-UHFFFAOYSA-N 315.398 3.167 0 40 DGAB COc1ccc(C)cc1/C=C/C(=O)NCc1ccccc1OC 8312814 UUDNYHOLVYWRKD-PKNBQFBNSA-N 311.381 3.342 0 40 DGAB Cc1cc(C)n([C@H](C)CC(=O)NCc2ccc(Cl)cc2)n1 8605231 FNSMRGLUXFYUEL-CYBMUJFWSA-N 305.809 3.421 0 40 DGAB COc1cc2c(cc1/C=C/C(=O)Nc1nccs1)O[C@@H](C)C2 8734284 VDRCBSJCTMAQSZ-FSIBCCDJSA-N 316.382 3.127 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2sc(C)nc2C)cc1 10143077 GGFXRMIVISMZHP-LLVKDONJSA-N 303.383 3.497 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@H](C)c1cc2ccccc2o1 10204314 UCMJDSWVTDTNDY-GFCCVEGCSA-N 318.373 3.135 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cccn2C)cc1C 12806066 NXUGRBWNCLULDN-KRWDZBQOSA-N 318.442 3.168 0 40 DGAB O=C1O[C@H](c2ccccc2Cl)c2cc3c(cc21)OCCO3 12858453 VWBYYLQAYZNVBB-OAHLLOKOSA-N 302.713 3.371 0 40 DGAB COc1ccc(OCCCSC2=N[C@H]3CCCC[C@@H]3N2)cc1 12971428 JRFUFLALEWPRFO-HOTGVXAUSA-N 320.458 3.468 0 40 DGAB C[C@@H]1CCC2=C(C1)S[C@@H]1N[C@@H](c3ccccc3)NC(=O)[C@H]21 13057505 NDBXIZOGHHIOJN-SWRJLBSHSA-N 300.427 3.168 0 40 DGAB O=C(O)C1CCN(C(=O)c2ccccc2Cc2ccccc2)CC1 13167072 LDIAMHNNEXFPTG-UHFFFAOYSA-N 323.392 3.214 0 40 DGAB CNc1nc(-c2c(C(=O)OC)c(C)n(C3CC3)c2C)cs1 14095076 NXIUFAFAPXOWFH-UHFFFAOYSA-N 305.403 3.392 0 40 DGAB O=C(COc1ccccc1)NCCOc1ccc2ccccc2c1 14198466 WFZAETZIWFVDJD-UHFFFAOYSA-N 321.376 3.414 0 40 DGAB Cc1cccc(CN2CCN(C(=O)Nc3ccccc3)CC2)c1 14248217 RZJSSSQMDOJSDM-UHFFFAOYSA-N 309.413 3.345 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 15695730 AMJHAMIDHZLORV-SNVBAGLBSA-N 318.323 3.414 0 40 DGAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)[C@@H]1CCCO1 21205604 PZSPIKGWSDCGNT-AWEZNQCLSA-N 303.358 3.236 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc(CNC(N)=O)cc1 21555561 HGKVKIKKRGRYBM-UHFFFAOYSA-N 317.776 3.069 0 40 DGAB COc1ccc([C@H](CNc2cnc3ccccc3n2)N(C)C)cc1 26135472 OSEGTQZZAYHLLY-SFHVURJKSA-N 322.412 3.353 0 40 DGAB O=C(Nc1nc2ccccc2s1)c1ccc(Cn2cccn2)o1 27981456 RHEODMOYJITOAI-UHFFFAOYSA-N 324.365 3.386 0 40 DGAB CCOCc1ccccc1CNC(=O)NCCc1ccccc1 28348050 PXKWOBLGJCZFBD-UHFFFAOYSA-N 312.413 3.265 0 40 DGAB CCN1C[C@@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O 32818090 SWRYCYIBSYDQJT-AWEZNQCLSA-N 323.396 3.237 0 40 DGAB CCc1cccc(NC(=O)COC(=O)Cc2ccccc2C)c1 32884715 HQQCKWRMQAXLKP-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccccc2F)N1 34925782 ZZOFBVFNKMNPIE-IRXDYDNUSA-N 324.355 3.084 0 40 DGAB in-vitro Cc1cc(C)cc(OCC(=O)N2CCOC23CCCCC3)c1 35671162 VPOCJVMQKQTEAJ-UHFFFAOYSA-N 303.402 3.201 0 40 DGAB Cc1ccc(CNC(=O)Nc2cccnc2N2CCCC2)cc1 40121067 SXEXXOQNWCHMRF-UHFFFAOYSA-N 310.401 3.312 0 40 DGAB O=C(Nc1ccc(F)cc1Cl)NC1CCC(C(=O)O)CC1 40545055 CBKOUROSSJEGDN-UHFFFAOYSA-N 314.744 3.244 0 40 DGAB O=C(Nc1ccccn1)N[C@H](c1ccccc1)c1ccccn1 43296107 RSIIUAUSCZCYJF-QGZVFWFLSA-N 304.353 3.388 0 40 DGAB O=C(NCc1ccoc1)Nc1ccc(OC[C@H]2CCCO2)cc1 47087486 LBODLSMGVJJUKB-MRXNPFEDSA-N 316.357 3.159 0 40 DGAB CC(C)c1noc(CS(=O)(=O)c2ccc3ccccc3c2)n1 47619940 UXZBKXWYNJHNLY-UHFFFAOYSA-N 316.382 3.320 0 40 DGAB CC[C@@H](C)NC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 47866363 VQKZHUVPBRCNPB-LLVKDONJSA-N 323.824 3.496 0 40 DGAB COc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1Cl 57340202 DYYRLWWVZFIQFY-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB C[C@@H]1CN(C(=O)CNc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 57525257 IWQUSTFJNMOXMP-NXEZZACHSA-N 317.216 3.041 0 40 DGAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CCCC1 58208595 UDEPGYPECFUQCS-LBPRGKRZSA-N 308.372 3.098 0 40 DGAB CCc1ccsc1C(=O)Nc1ccc(F)c(C(=O)NC)c1 58246060 IWMHBVIPMFMBFM-UHFFFAOYSA-N 306.362 3.062 0 40 DGAB O=C(Cc1noc2ccccc12)N1CCC(n2cccc2)CC1 58407119 YFNYHZQAOIRTQB-UHFFFAOYSA-N 309.369 3.036 0 40 DGAB Cc1csc(CNC(=O)N(Cc2ccc(F)cc2)C2CC2)n1 59291800 SFGZONIZFMCNFM-UHFFFAOYSA-N 319.405 3.465 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1CC1(O)CCCCCC1 62581974 PSMUZHGRPCERAA-UHFFFAOYSA-N 306.793 3.135 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)NCc2csc(C)n2)cc1 65440676 BPQXVETVCQKAFT-LLVKDONJSA-N 319.430 3.411 0 40 DGAB Cc1cccnc1C[C@@H](C)N(C)C(=O)c1ccc2cccnc2n1 67896314 OPBMCARGMCWPSY-CQSZACIVSA-N 320.396 3.036 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)Cc1csc(C(C)(C)C)n1 69367581 OCTCUSYLPMOIQF-LLVKDONJSA-N 306.431 3.324 0 40 DGAB CCSCCC(=O)N(CC)c1ccc(Br)cn1 69665899 LMFHHXMCNHTVEV-UHFFFAOYSA-N 317.252 3.340 0 40 DGAB Cc1noc([C@@H](C)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 71892910 YLWTXYSUNXVFSO-LLVKDONJSA-N 311.389 3.195 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cc2ccccc2o1)c1cccs1 72307160 NKYPTHWCZKSYNV-LLVKDONJSA-N 315.350 3.440 0 40 DGAB Cc1nnc(C2CCN(C(=O)/C=C/c3cccs3)CC2)s1 75149279 ZGXAQOASKGCALJ-SNAWJCMRSA-N 319.455 3.327 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](N2Cc3ccccc3NC2=O)C1 79387669 NQNWXGQZHAFTIX-CYBMUJFWSA-N 317.389 3.044 0 40 DGAB COc1ccc(C[S@](=O)C[C@H]2CCCCO2)c(Cl)c1 83954722 XXPBTWHKJRNMMW-BFUOFWGJSA-N 302.823 3.166 0 40 DGAB COc1cc(CCNC(=O)[C@@H](C)c2ccc(C)s2)ccc1O 84403602 WPKSUTCHFQXXPA-LBPRGKRZSA-N 319.426 3.233 0 40 DGAB O=C(CCc1ccsc1)N1CCC[C@H]1c1noc(C2CC2)n1 84618481 KQWIWNZSFGPVAR-ZDUSSCGKSA-N 317.414 3.305 0 40 DGAB CCCn1ccc2cc(NC(=O)COc3cc(C)on3)ccc21 84760653 KYXNPODILZVHQF-UHFFFAOYSA-N 313.357 3.365 0 40 DGAB C[C@@H](CN(C)c1ccccc1)NCc1ccc([S@](C)=O)cc1 85306738 PKOSIAQRQBUHRN-OYHNWAKOSA-N 316.470 3.039 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@H]1NCC1=CCCOC1 89662593 MBCLZKVYUYOARF-JKSUJKDBSA-N 324.465 3.006 0 40 DGAB C[C@H]1C[C@H](Nc2ccn(CCN(C)C)n2)c2ccccc2S1 89920361 ZCVGCJCQBKGZHR-ZFWWWQNUSA-N 316.474 3.482 0 40 DGAB CCC(CC)(CO)CNC(=O)C1(c2cccc(F)c2)CCC1 89943023 QEGGEECWSQEPAC-UHFFFAOYSA-N 307.409 3.162 0 40 DGAB CC(C)c1ocnc1Cn1nc(-c2ccccc2F)ccc1=O 92262805 NRFSBWBPCIYGNP-UHFFFAOYSA-N 313.332 3.209 0 40 DGAB CC(C)(C)c1n[nH]cc1CNc1ccc(NC(=O)C2CC2)nc1 95430891 ZQHJPMFMQFPANB-UHFFFAOYSA-N 313.405 3.063 0 40 DGAB C[C@H](NC[C@@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 95463499 UDNJZZKHWSPBAF-KBXCAEBGSA-N 317.429 3.443 0 40 DGAB CC(C)N(Cc1cc(F)cc(Br)c1)C[C@@H](C)O 95963691 WHBDYJJNRMMESL-SNVBAGLBSA-N 304.203 3.179 0 40 DGAB COCc1ccccc1NC(=O)NC[C@H]1CCO[C@H]1C(C)C 96455183 ROJSRZKIEYBOFZ-CJNGLKHVSA-N 306.406 3.016 0 40 DGAB CCC1(CO)CCN(C(=O)NC[C@H](C)c2ccsc2)CC1 96486854 NGPQNIPJQWIRIF-ZDUSSCGKSA-N 310.463 3.046 0 40 DGAB O=C1CCCN1c1ccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1 96494535 BDNSJXYYRJQAQG-NXHRZFHOSA-N 312.413 3.183 0 40 DGAB CC1(C)C[C@@H](O)C[C@@]2(C)[C@H]1[C@H](O)C[C@]13C[C@@H](CC[C@@H]12)[C@@](C)(O)C3 100145172 MGTDZPRNONHJLG-GYDGMEHLSA-N 322.489 3.112 0 40 DGAB COc1ccccc1N/C=C\c1nnnn1-c1ccc(C)cc1 100209649 SFCGYDGWLCHNME-QXMHVHEDSA-N 307.357 3.062 0 40 DGAB COc1ccc(C(=O)NCCCOC2CCCCC2)cc1F 102487454 ZJTMXCZLYCTECT-UHFFFAOYSA-N 309.381 3.304 0 40 DGAB O=C(Nc1ccc(F)c(N2CCCC2=O)c1)[C@@H]1C[C@H]2CC[C@H]1C2 105630566 PARBGLYBMAKODG-SGMGOOAPSA-N 316.376 3.327 0 40 DGAB Cc1cc2ncc(NC(=O)c3ccccc3C(F)(F)F)cn2n1 206737677 NGITWGHQHQESLA-UHFFFAOYSA-N 320.274 3.309 0 40 DGAB O=C1S/C(=C/c2ccncc2)C(=O)N1Cc1ccccc1F 214381199 CEMZVTRXTKVWMM-NTEUORMPSA-N 314.341 3.457 0 40 DGAB COc1ccc2cc(C(=O)Nc3cccc(F)c3)c(=O)oc2c1 226042711 XKHRCFCNTDEWRG-UHFFFAOYSA-N 313.284 3.193 0 40 DGAB C[C@H](O)c1c(-c2ccc(F)cc2)noc1C(=O)NC1CCCC1 253405166 RXVDRBSPZKGGFT-JTQLQIEISA-N 318.348 3.206 0 40 DGAB biogenic,in-vitro CC(=O)N1CCC[C@H](Cc2ccnc(-c3nccs3)c2)C1 257203587 AQTMVBBKWAAGOC-CQSZACIVSA-N 301.415 3.006 0 40 DGAB O=C(/C=C/c1ccco1)NCC[C@@H](CCO)c1cccs1 575607397 LKUHPUICSYVMJU-GFUIURDCSA-N 305.399 3.027 0 40 DGAB CCn1c(SCC[Si](C)(C)C)nnc1-c1cnccn1 585118817 CURHWFIZAMKVKV-UHFFFAOYSA-N 307.499 3.185 0 40 DGAB NCC[C@H]1CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)C1 1523018359 HPPLGFIBKYFKBM-AWEZNQCLSA-N 322.408 3.326 0 40 DGAB CCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C(C)(C)C)C2 280981 KDVJWVZVZCHFNN-VIFPVBQESA-N 308.447 3.347 0 40 DGAB CCOc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 429473 BJXXRLXHKCYCIN-UHFFFAOYSA-N 300.358 3.485 0 40 DGAB CCOC(=O)c1cnc(SC)nc1Nc1cccc(OC)c1 1644832 SYTJXUICBOSSMC-UHFFFAOYSA-N 319.386 3.127 0 40 DGAB CSc1nc(C)cc(OCCOC(=O)Nc2ccccc2)n1 2409554 SBOONRLCRNIEGS-UHFFFAOYSA-N 319.386 3.134 0 40 DGAB COc1ccc(OC)c(C(=O)C[C@@H]2OC(=O)c3ccccc32)c1 2445093 DDXYDRDVCOYKNX-KRWDZBQOSA-N 312.321 3.188 0 40 DGAB CCCC[C@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(C)=O 3173785 SCCFPAMTAIFDLY-JKSUJKDBSA-N 314.385 3.257 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1 3369233 CZTNCJYVKNUKQY-NSHDSACASA-N 309.373 3.199 0 40 DGAB CSc1ncccc1C(=O)OCC(=O)c1ccc(Cl)cc1 3525900 UOHALFCPVUFIJR-UHFFFAOYSA-N 321.785 3.497 0 40 DGAB COc1ccc2c(c1N)CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@@H]21 6043825 YNHMOPDDKJEIJS-KMUPADOHSA-N 301.430 3.494 0 40 DGAB Cc1ccc2cc(CSc3nnnn3C)c(Cl)nc2c1 6588846 KFGPJPXUADLTPN-UHFFFAOYSA-N 305.794 3.012 0 40 DGAB O=C(N=c1[nH]c2ccccc2[nH]1)C1(c2ccccc2)CCCC1 6694642 YCZHOPKSKOPLAV-UHFFFAOYSA-N 305.381 3.435 0 40 DGAB CC(=O)Nc1ccc(CC(=O)NC[C@H](C)c2ccccc2)cc1 7312291 RZQMWSMEJMGNED-AWEZNQCLSA-N 310.397 3.107 0 40 DGAB COCCn1c(C)cc(/C=C2/C(=O)N(C)c3ccccc32)c1C 8334250 FSFAOBPDWJXVJP-SFQUDFHCSA-N 310.397 3.268 0 40 DGAB Cc1ccc(O)c(NC(=O)COC(=O)c2ccccc2Cl)c1 8391967 WJQPGGJWQOWWSF-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB CCOc1ccc(C(=O)CCC(=O)Nc2nccs2)cc1 8705202 QKPCHWBMEPJRAG-UHFFFAOYSA-N 304.371 3.143 0 40 DGAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)NC1CCCC1 8714903 NRAVUCTWEBCZJE-UHFFFAOYSA-N 311.447 3.348 0 40 DGAB Cn1c(S[C@H]2CCC(=O)C2)nnc1-c1ccc(Cl)cc1 8986899 QCTSZELABHCRKY-LBPRGKRZSA-N 307.806 3.349 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2O)c1C 9112581 LRHMBJLYYVSDOT-UHFFFAOYSA-N 316.357 3.075 0 40 DGAB C[C@H](NC1CCCCCC1)C(=O)Nc1ccc2c(c1)OCO2 9911555 ZYUJRZPHATWBJV-LBPRGKRZSA-N 304.390 3.055 0 40 DGAB O=c1cc(-c2ccccc2)[nH]c2nc(-c3ccccc3Cl)nn12 9936126 OOPBJONMANEUOC-UHFFFAOYSA-N 322.755 3.405 0 40 DGAB O=C(Nc1ccccc1)C(=O)Nc1cccc(C(F)(F)F)c1 10017108 FBRGMTVENPDEOM-UHFFFAOYSA-N 308.259 3.283 0 40 DGAB C[C@@H]1CCc2sc(C(=O)OCC(=O)c3ccc[nH]3)cc2C1 10437073 QOXPFTAFKGYKGC-SNVBAGLBSA-N 303.383 3.241 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H](c2cccs2)C2CC2)cc1 10683000 AWVOXXQWRNXWPV-HNNXBMFYSA-N 307.440 3.486 0 40 DGAB O=C(Cc1cc(Cl)c2c(c1)OCCO2)Nc1ccc(F)cc1 11595567 FRQJZNBTXJZRCO-UHFFFAOYSA-N 321.735 3.432 0 40 DGAB C[C@@H](NC(=O)c1ncoc1-c1ccccc1F)c1ccccn1 12144651 JYOVIYVADBUWFY-LLVKDONJSA-N 311.316 3.367 0 40 DGAB Cc1ccc(C(=O)N[C@H](Cc2ncc[nH]2)c2ccccc2)cc1 12541547 LWQQKAJUXDDMFV-QGZVFWFLSA-N 305.381 3.432 0 40 DGAB CCn1nnc2cc(C(=O)NC3CCCCCCC3)ccc21 15593474 UFZXEKUNRWRRJX-UHFFFAOYSA-N 300.406 3.294 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)NCCSc1ccccn1 20238449 KFAMCRHYWQSTTO-CYBMUJFWSA-N 318.467 3.471 0 40 DGAB COc1ccc2c(ccn2CC(=O)NC2CCCCCC2)c1 20724433 VSBUMIVOKFHESQ-UHFFFAOYSA-N 300.402 3.489 0 40 DGAB Cc1nc2c3ccccc3nc(SC[C@H]3CCCCO3)n2n1 22284963 FBXIBGOCXSMUGN-GFCCVEGCSA-N 314.414 3.247 0 40 DGAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccncc3)cc2)C1 22532171 CRBUQWQDFYQZRW-INIZCTEOSA-N 323.440 3.244 0 40 DGAB CC[C@@H](C(=O)OCc1csc(NC(C)=O)n1)c1ccccc1 22747079 UBUASBQAVUTLQG-CQSZACIVSA-N 318.398 3.339 0 40 DGAB Cc1ccc(-n2cc(C(=O)N(C)Cc3ccccc3)nn2)cc1C 23127096 CFYGSUBMTWSTNL-UHFFFAOYSA-N 320.396 3.156 0 40 DGAB C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccc2c(c1)OCCO2 24067184 BCFKUSFVSKPWNW-DNGMOHDESA-N 309.365 3.348 0 40 DGAB COc1ccc([C@@H](CNC(=O)CC(C)C)N2CCCCC2)cc1 27794326 OAQALZGNACYMJN-GOSISDBHSA-N 318.461 3.385 0 40 DGAB Cc1nc(NS(=O)(=O)c2ccc3c(c2)CCCC3)sc1C 28248845 KAODAIHCDMEYLF-UHFFFAOYSA-N 322.455 3.440 0 40 DGAB COC(=O)C[C@H](NC(=O)C1CCCC1)c1ccccc1Cl 31376609 RJOAMBJIJKPABK-AWEZNQCLSA-N 309.793 3.251 0 40 DGAB Cc1c([C@H](C)NC(=O)Nc2nc3ccccc3s2)cnn1C 31662250 BCWOSOPEGFGCQL-VIFPVBQESA-N 315.402 3.221 0 40 DGAB CS[C@@H](C)C(=O)N[C@@H](C)c1ccccc1Br 31697410 VVNVXBJNMCMPKO-IUCAKERBSA-N 302.237 3.378 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)N[C@H](C)c1cccs1 32674845 OAFDWVQEHAJMCC-LLVKDONJSA-N 317.410 3.379 0 40 DGAB CC(=O)Nc1ccc(SCCC(=O)Nc2cc(C)on2)cc1 32751043 FYRQOGGKALXBER-UHFFFAOYSA-N 319.386 3.062 0 40 DGAB Cc1nn(C)c2ncc(C(=O)N[C@H](C)CCCC(C)C)cc12 40040217 DTGCHBFNIKSXAT-GFCCVEGCSA-N 302.422 3.221 0 40 DGAB COc1ccc(OC)c(NC(=O)NCc2ccc(F)c(C)c2)c1 40097982 NMBYOBALYGEITQ-UHFFFAOYSA-N 318.348 3.473 0 40 DGAB O=C(NCCSC1CCCC1)c1ccccc1-n1cccn1 40142009 XIABVEHJDTYMKC-UHFFFAOYSA-N 315.442 3.278 0 40 DGAB O=C(CCc1nnc(-c2ccsc2)o1)N1CCCCCC1 40490356 HFBOLNBOQBBICC-UHFFFAOYSA-N 305.403 3.133 0 40 DGAB O=C(NCc1csc(Br)c1)Nc1cccnc1 40520745 BBVNNLRCTFJQPZ-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB COCCOc1ccc(NC(=O)N(C)Cc2ccsc2)cc1 44298522 VRFOTKXNHQQUSH-UHFFFAOYSA-N 320.414 3.437 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc(F)cc1 45477261 PGRHCBBJQQHXGN-ZDUSSCGKSA-N 317.360 3.260 0 40 DGAB Cc1ccc(C)c(OC2CCN(C(=O)c3cc(C)no3)CC2)c1 55709203 XMDNQMWBPNYXJS-UHFFFAOYSA-N 314.385 3.283 0 40 DGAB CC(C)(C)CC(=O)NC[C@@H](O)c1ccccc1C(F)(F)F 58208604 VVXMOIYHGCUHEQ-GFCCVEGCSA-N 303.324 3.291 0 40 DGAB O=C(NCc1cccnc1N1CCCCC1)c1cccs1 58282356 QJSBSOKGDFKSSY-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB CC(C)c1cc(NC(=O)c2cnc(-c3ccccc3)nc2)[nH]n1 58282667 LNVDYYLLYSUAAI-UHFFFAOYSA-N 307.357 3.242 0 40 DGAB Cc1oc(-c2ccsc2)nc1Cn1cnc2ccccc2c1=O 58298176 KGESOPKHFGLKAL-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3C)CC2=O)c1 59227290 RCYXGZNLGAIPPN-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB Cc1noc(C2(NC(=O)C3CCC(C)CC3)CCCCC2)n1 65257748 TWWQMTBMCJHOBS-UHFFFAOYSA-N 305.422 3.480 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H]1c1cccs1 65449230 VLQXYSOZGSCHCH-AWEZNQCLSA-N 318.446 3.259 0 40 DGAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@@H]1C[C@@H]1c1ccccc1 72242707 JPKBMSVGCFXTJN-RKVPGOIHSA-N 307.397 3.082 0 40 DGAB Cc1cc(N)nc([C@@]2(C)CCCN2Cc2ccc3cc[nH]c3c2)n1 72388530 NYGKBBMJIKLVSZ-LJQANCHMSA-N 321.428 3.360 0 40 DGAB COc1ccc([C@H]2C[C@H]2C(=O)N(C)c2cc(C(C)C)[nH]n2)cc1 75146300 JQWRQSNQFTVLSW-HUUCEWRRSA-N 313.401 3.308 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 78529730 RTEXBUHDVKCNDS-QGZVFWFLSA-N 319.401 3.323 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(Cl)c(F)c2)[C@@H](C)C1 78897324 YSOZFGXDDQNSPH-XHDPSFHLSA-N 312.816 3.216 0 40 DGAB O=C(NC[C@@H]1CCCS1)c1sccc1Br 79093362 KBBJKLWYXJCYNG-ZETCQYMHSA-N 306.250 3.136 0 40 DGAB O=C(Nc1cnn(Cc2ccccc2)c1)NC(C1CC1)C1CC1 79592043 KKOVWHYPTDBSQT-UHFFFAOYSA-N 310.401 3.242 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)[C@H](C)c3cccnc3)c2)o1 81021896 SUUCLMQCSOXLBA-GFCCVEGCSA-N 322.368 3.273 0 40 DGAB COc1cc(F)c(C(=O)N(C[C@H]2C[C@@H]2C)C(C)C)cc1OC 84688852 ZJDGNXVMVORLLZ-NWDGAFQWSA-N 309.381 3.350 0 40 DGAB O=C(O)CCCc1nc(-c2cc(Cl)cc(Cl)c2)no1 89262148 MOAMIYYMGPFKBI-UHFFFAOYSA-N 301.129 3.451 0 40 DGAB CN(CCOc1cccc(F)c1)c1nnc(C(F)F)s1 95428424 MZNKWZFFCNEPHD-UHFFFAOYSA-N 303.309 3.130 0 40 DGAB C[C@H](NC(=O)Nc1ccc(OC2CCCC2)cc1)c1nc[nH]n1 95460864 DLVWLPGSYMKMBT-NSHDSACASA-N 315.377 3.009 0 40 DGAB CO[C@H](C)c1noc(CNC2(c3cccc(Cl)c3)CC2)n1 95985313 FNOZSKJPFLNVPU-SNVBAGLBSA-N 307.781 3.209 0 40 DGAB O=C(CCN1CCC(NC2CCCC2)CC1)c1ccccc1 95992547 RSIQLHGKXNTZSI-UHFFFAOYSA-N 300.446 3.256 0 40 DGAB CCOc1ccc(CCC(=O)N(C)C[C@@H]2CCCC[C@H]2O)cc1 95994580 UNSOWTIRCQAAOV-FUHWJXTLSA-N 319.445 3.027 0 40 DGAB O=C(c1cc(C2CC2)on1)N(Cc1cnc2ccccn12)C1CC1 96097135 PMJXGLGARXQRJB-UHFFFAOYSA-N 322.368 3.005 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3F)no2)cc1 96105673 KAPAIKUJCJNIBE-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB Cc1csc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)n1 96192513 JONDGCYOOSXWGV-HNNXBMFYSA-N 319.361 3.112 0 40 DGAB Cc1cc(-c2nn3c(-c4cc5ccccc5o4)nnc3s2)n[nH]1 96194028 BHLZGANTAVMNSR-UHFFFAOYSA-N 322.353 3.298 0 40 DGAB Cc1occc1C(=O)N[C@@H](C)[C@H](O)c1c(F)cccc1Cl 96449150 BQPGIQZSNORGRL-RTHLEPHNSA-N 311.740 3.232 0 40 DGAB COCc1ccc(CN2CCC[C@H](Cc3nccn3C)C2)cc1 97139195 OKUPPSDRTYKGGN-GOSISDBHSA-N 313.445 3.021 0 40 DGAB COc1cccc(C2=N/C(=C/c3ccc(F)c(F)c3)C(=O)O2)c1 97995917 IMYPSSCCBFTHBS-OVCLIPMQSA-N 315.275 3.318 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1c1ccc(Cl)c(F)c1)C31CC1 100950135 LHZZXNXZKJHZKB-TXFQPVFDSA-N 317.747 3.181 0 40 DGAB CCC[C@H](CC)Sc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1 102818115 XQFXPCBOBLRMLU-QMMMGPOBSA-N 312.464 3.000 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CCC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108105599 KAYRQOUGKRMBSZ-VQHPVUNQSA-N 300.402 3.147 0 40 DGAB CN(CCc1ccccn1)Cc1cn2cc(Cl)ccc2n1 123642774 JDHQQUZZMKPUBR-UHFFFAOYSA-N 300.793 3.057 0 40 DGAB Clc1ccccc1Cc1nnc(NCc2cscn2)o1 195552223 BVBWXXTVXOQNAF-UHFFFAOYSA-N 306.778 3.382 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NCc1ccco1 222578707 ARGWWOZIGVKMFM-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB CCc1ccc(CC)c(CNS(=O)(=O)c2cccs2)c1 223118370 PDXAUKJODNWCID-UHFFFAOYSA-N 309.456 3.351 0 40 DGAB COc1cc2c(cc1S(=O)(=O)N1CCCCCC1)CCCC2 225200532 JBJJXCKMRDWNAU-UHFFFAOYSA-N 323.458 3.139 0 40 DGAB Cc1nc(CCNC(=O)c2cccc(C(F)F)c2F)c(C)o1 528911293 ZNVNNBVXZBGBHS-UHFFFAOYSA-N 312.291 3.341 0 40 DGAB CCc1ncncc1C(=O)N1C[C@@H]2CCCCN2c2ccccc21 563178543 AOGIGJUGASSXPW-AWEZNQCLSA-N 322.412 3.058 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O 583619503 TVROORONARXZFH-RCCFBDPRSA-N 305.466 3.370 0 40 DGAB CN(CCCCO)C(=O)/C(F)=C/c1ccc(C(F)(F)F)cc1 585135494 NFKNZLYXIHFXCC-RAXLEYEMSA-N 319.298 3.247 0 40 DGAB COC(=O)Nc1cc(-c2c(C3CC3)n[nH]c2C)cc2[nH]ncc12 1503886559 QTYLFQMDDFBRTJ-UHFFFAOYSA-N 311.345 3.317 0 40 DGAB Cc1cnn(CC2CN(c3nc4c(F)cc(F)cc4s3)C2)c1 1889149552 RDGGEMJPYCPCCL-UHFFFAOYSA-N 320.368 3.216 0 40 DGAB Cc1cccc(CN2CCC(Oc3nc(C)cnc3C)CC2)c1 2087137085 UOOWFVGRYTUJMA-UHFFFAOYSA-N 311.429 3.445 0 40 DGAB COC(=O)CSc1nnc2cc(C)c3cc(C)cc(C)c3n12 416382 PHKIVBVHZARGCY-UHFFFAOYSA-N 315.398 3.073 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@@H](c3cccs3)C2)c1 521549 SRVARFZNDNULDW-OAHLLOKOSA-N 300.383 3.454 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc(Cl)cc1 554791 CMXNLNGULZMRHK-CYBMUJFWSA-N 324.789 3.044 0 40 DGAB COc1ccc(-n2nnc(C(=O)Nc3ccc(C)cc3)c2C)cc1 2713270 WFVYKIHFHYKLAU-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(F)ccc1F 3245349 UTEUGLVHPZZDMC-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)C(C)(C)C 3445955 IQJHQOJRBMYGDX-UHFFFAOYSA-N 311.403 3.095 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc2c(c1)CCC2 3523649 WPJQHSVVCHPVPX-UHFFFAOYSA-N 315.394 3.341 0 40 DGAB O=c1oc(-c2nccc3ccccc23)nn1Cc1ccccc1F 5002416 GVTFHQGNMUVKMF-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB COCCn1cc(NC(=O)NCc2cccnc2)c2ccccc21 5266408 YBFWXXCJVSIHAE-UHFFFAOYSA-N 324.384 3.004 0 40 DGAB O=C(c1ccc(F)cc1)N1CCN(c2ccccc2Cl)CC1 5392451 MSTXARFJUCEXEJ-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2cccc(O)c2)N(C)C3=O)cc1 6747804 XKTXQBYYHHCVCH-GOSISDBHSA-N 319.364 3.266 0 40 DGAB CCCOc1nc2ccccc2nc1N1C[C@H](C)O[C@@H](C)C1 6758828 SUNGAGNYNPZEKV-STQMWFEESA-N 301.390 3.032 0 40 DGAB COc1ccccc1NC(=O)c1cc(=O)c2cc(C)ccc2o1 6811202 PWWLTVFGHZQZOS-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2cccc(F)c2)c1C 7492354 CBTMVGGJPKXOIC-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB COc1cc(C(=O)Nc2cccc(Cl)c2)cc2c1OCCO2 7667009 CWYWLQYARJSQQJ-UHFFFAOYSA-N 319.744 3.372 0 40 DGAB Cc1cccc2nc(C(=O)Nc3cccc4cccnc34)cn12 7942594 YMPRMCQTGQBIQI-UHFFFAOYSA-N 302.337 3.443 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)CCc1cccs1)OCO2 7988171 BSJZCWQBLGWKKD-UHFFFAOYSA-N 317.366 3.251 0 40 DGAB C[C@@H](NC(=O)CN(C)Cc1ccc(F)cc1)c1ccccc1 8120449 NVOOKFZUBWULIO-CQSZACIVSA-N 300.377 3.135 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1cccc(C(=O)NC2CC2)c1 9112470 NBFHWWNMOKROFX-QPJJXVBHSA-N 312.394 3.292 0 40 DGAB Cc1cnc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)s1 9335652 AANLWZYWGLAZBT-UHFFFAOYSA-N 314.370 3.426 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1F 9366456 XMQCJKIXBAACJT-CYBMUJFWSA-N 322.361 3.075 0 40 DGAB O=C(Nc1nc(-c2ccc(F)cc2)n[nH]1)c1ccc(F)cc1 9747424 LAEGJRFYYONWQH-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB Cc1nc2c3ccccc3nn2c(C)c1CCC(=O)NCC(C)C 10131173 KWICAFLLHAWVLA-UHFFFAOYSA-N 324.428 3.204 0 40 DGAB Cc1csc(NC(=O)c2cccnc2SC(F)F)n1 10554881 BEMLOWDEKARUHG-UHFFFAOYSA-N 301.343 3.414 0 40 DGAB COc1ccc(-c2cc3cccnc3n2CC(=O)NC(C)C)cc1 12220227 XFNPSLAFJCILSR-UHFFFAOYSA-N 323.396 3.237 0 40 DGAB O=C(NCc1ccco1)c1cn[nH]c1-c1ccc(Cl)cc1 12538993 MSQMNGRRNMSEBM-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB O=C(CCCSc1ccccc1)N=c1[nH]c2ccccc2[nH]1 13161673 VGBQKLNHGWQQJE-UHFFFAOYSA-N 311.410 3.496 0 40 DGAB CCOCCCNC(=O)[C@@H](C)Oc1cccc2ccccc12 13709244 ILDSCPXWIYXQLG-CQSZACIVSA-N 301.386 3.150 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H](C)O1 14166722 XMDGXHOPQJNPJT-TXEJJXNPSA-N 323.483 3.415 0 40 DGAB CCCCCNC(=S)Nc1cc(OC)c(OC)c(OC)c1 17032526 FVEMWCJWBNDHAC-UHFFFAOYSA-N 312.435 3.189 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 18193958 KPZXXVSRFSSLDM-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB Cc1csc(C(=O)N2CCC[C@@H](c3cc(O)cc(C)n3)C2)c1 19124522 FCPKADIBDDZHFO-CYBMUJFWSA-N 316.426 3.485 0 40 DGAB CC[C@H](CN1CCCCC1)n1cncc1-c1cn(C)nc1C 19719434 ICZGMUHDJGTPEE-OAHLLOKOSA-N 301.438 3.029 0 40 DGAB Cc1ccc(CN2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 19900175 GFZFAZDCVHIPOI-IAGOWNOFSA-N 302.462 3.069 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(F)c(F)c3)n2)cc1 19910550 GXZMXDNACYXNJW-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB Cc1nc(Nc2cccc(C(=O)O)c2)cc(N2CCCCC2)n1 20136008 LBHIBSXLLJQHDX-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB COc1cc(NC(=O)CC(C)C)ccc1-c1ccc(CO)o1 20136859 SWWKNWFZPVBMBW-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)CSc1ccccc1 20151160 MFWXBTVBPLDBET-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB NC(=S)Nc1nc2c(Cl)cc(Br)cc2s1 20160083 KSLPGIXBIROPQS-UHFFFAOYSA-N 322.640 3.368 0 40 DGAB COc1ccc(NC(=O)c2ccc(N)cc2Cl)c(OC)c1 20220988 PVBKTOAZCQAWKQ-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1 20749297 VPLPKYZIPHGMON-HNNXBMFYSA-N 323.392 3.438 0 40 DGAB Cc1nc(S[C@@H](C(N)=O)c2ccccc2)n(CC(C)C)c1C 21483512 TURJRTHDUFUFLO-OAHLLOKOSA-N 317.458 3.475 0 40 DGAB Cc1cccc(-c2noc(-c3sc4nc[nH]c(=O)c4c3C)n2)c1 21730311 CGWPJHINYOYOCV-UHFFFAOYSA-N 324.365 3.318 0 40 DGAB C[C@H](N)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 21948401 KKBVMNKYVQAAIK-GUYCJALGSA-N 319.449 3.098 0 40 DGAB CCn1cc(C(=O)N2CCC(C)CC2)c(=O)c2cc(C)ccc21 22234678 JGDJPVPQKAFANF-UHFFFAOYSA-N 312.413 3.202 0 40 DGAB O=C(Nc1ccc(-n2cccn2)cc1)c1cc(-c2ccco2)[nH]n1 28241194 OAKHHOMNUDUFAF-UHFFFAOYSA-N 319.324 3.108 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)[C@@H](C)Oc1ccc(F)cc1 28487942 FYIDPXNBJYOZEO-QWHCGFSZSA-N 317.360 3.479 0 40 DGAB COc1ccccc1CNC(=O)CCCc1nc2ccccc2[nH]1 29053641 IBKLIHSWKOSINC-UHFFFAOYSA-N 323.396 3.211 0 40 DGAB O=C(NCc1csc(Br)c1)NCc1ccco1 31099651 URPMQYTUXZZMKD-UHFFFAOYSA-N 315.192 3.103 0 40 DGAB CNC(=O)c1ccc(/C=C/C(=O)N2c3ccccc3C[C@@H]2C)cc1 32755079 ZNDDRQWGFMJUAX-TZIYXEQSSA-N 320.392 3.037 0 40 DGAB O=C(Nc1ccc(CN2CCCC2)cc1)c1ccc2c(c1)CCO2 32796011 FXWILJZZFVDDFI-UHFFFAOYSA-N 322.408 3.470 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)Nc1ccc(N2CCCC2)cc1 32924123 ZIHGJORMHBFLQJ-NSHDSACASA-N 316.323 3.193 0 40 DGAB COc1ccc(C)cc1NC(=O)NCCOc1ccc(F)cc1 35597156 YASHIEYVSDLYRI-UHFFFAOYSA-N 318.348 3.343 0 40 DGAB O=C(CCc1ccccc1O)Nc1nc2c(s1)CCCC2 36725558 JPHBAKBJKJTPBN-UHFFFAOYSA-N 302.399 3.299 0 40 DGAB CCCN(Cc1ccc(C)cc1)C(=O)[C@H](C)NC(=O)C(C)(C)C 37170267 CLKRGWSPTGPUFW-HNNXBMFYSA-N 318.461 3.284 0 40 DGAB Cc1cc(C)cc(OCCSCC(=O)Nc2cc(C)on2)c1 40018149 FNFDQSSQCMCWSD-UHFFFAOYSA-N 320.414 3.351 0 40 DGAB O=C(CCOc1cccc(F)c1)NCC1(c2ccccc2)CC1 40069741 UKOXGWWVGCQFQN-UHFFFAOYSA-N 313.372 3.443 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)N[C@H](C)C2CC2)CC1 43841465 MLWBXLBQSDBMMC-OAHLLOKOSA-N 315.461 3.057 0 40 DGAB FC(F)(F)c1ccnc2[nH]cc(I)c12 44700129 MDWDEEUWAJNNNJ-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB O=C(Cc1cccc(Br)c1)c1ccc(O)cc1O 45919196 VOVONONLDOQIBK-UHFFFAOYSA-N 307.143 3.286 0 40 DGAB CCCOc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 46179863 MIYCSWROTCGZEE-UHFFFAOYSA-N 313.353 3.134 0 40 DGAB COC(=O)c1ccc(NC(=O)NCC2(c3ccccc3)CC2)cc1 48008642 QDXCLGAFGZJPRV-UHFFFAOYSA-N 324.380 3.327 0 40 DGAB COC(=O)c1ccc(N[C@@H](C)c2ccccc2OC(C)C)nn1 48234711 YMDDYWIUIPHXKZ-LBPRGKRZSA-N 315.373 3.224 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)C2CCCCCCC2)cs1 58140775 TVZWGRPSYSJMTP-UHFFFAOYSA-N 309.435 3.286 0 40 DGAB COCCN1C(=O)[C@H](Sc2ccccc2)[C@@H]1c1cccs1 58203125 LMFUXTMFBDEJSG-LSDHHAIUSA-N 319.451 3.439 0 40 DGAB Cc1ccc([C@@H](NC[C@H]2CNc3cc(C)nn3C2)C2CC2)cc1 65623784 ZTLKXFAVNZOJOZ-DNVCBOLYSA-N 310.445 3.283 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cc(OC)c(OC)cc1C 69028410 NIGIGBGOTGMWAB-ZDUSSCGKSA-N 322.405 3.045 0 40 DGAB CCO[C@H](C)C(=O)N(CCc1ccccc1)Cc1ccncc1 69517035 RRAHCPDPVVWIRK-MRXNPFEDSA-N 312.413 3.078 0 40 DGAB C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 70172431 XNKISXBVEYUJOE-VHSXEESVSA-N 301.217 3.193 0 40 DGAB N[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 72228171 MZOUVGASVLXEPC-GJZGRUSLSA-N 320.314 3.116 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C)c1c(F)cccc1OC 74739709 PKOBPRIWZIPJQU-QWHCGFSZSA-N 324.396 3.106 0 40 DGAB CC(C)N(C(=O)[C@@H]1SCCc2ccccc21)C1CCOCC1 74957634 SFCRJGCBCOFDLC-QGZVFWFLSA-N 319.470 3.433 0 40 DGAB COc1ccc(OCCN[C@@H](C)c2cccc(OC)c2)cc1 75094256 MHFKHTGYNFOAKR-AWEZNQCLSA-N 301.386 3.433 0 40 DGAB CC(C)n1cc2cc(NC(=O)c3cc(C4CC4)[nH]n3)ccc2n1 75141408 FOVVOFMXUHIJNH-UHFFFAOYSA-N 309.373 3.470 0 40 DGAB CCn1ccnc1SCC(=O)c1cnn(-c2ccccc2)c1 76065092 NOHNIPYUWWIHPH-UHFFFAOYSA-N 312.398 3.064 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N1CCC(=Cc2ccccc2)CC1 79018798 NRTMVZCOADLVLK-UHFFFAOYSA-N 309.413 3.357 0 40 DGAB CCCc1noc([C@H](C)Nc2ccc(N3CCOC3=O)cc2)n1 79912237 DOGKQVMDSLSODC-NSHDSACASA-N 316.361 3.152 0 40 DGAB CC[C@H](C)c1csc(NC(=O)N[C@H](C)c2cnn(C)c2)n1 84726956 WTEYOGFAUOLEHR-VHSXEESVSA-N 307.423 3.273 0 40 DGAB O=C(c1cccnc1)N1CC[C@H](Oc2cccc(Cl)c2)C1 89763203 WUMQPUOBHADYSO-HNNXBMFYSA-N 302.761 3.029 0 40 DGAB C[C@@H](NCCc1ccccn1)c1ccc(NC(=O)NC2CC2)cc1 89904809 QBJBSRFZKULGPB-CQSZACIVSA-N 324.428 3.259 0 40 DGAB CCOCCC1(CNC(=O)[C@@H]2COc3ccccc32)CCCC1 89986866 BSQHUSREJUDECA-MRXNPFEDSA-N 317.429 3.266 0 40 DGAB CCOCCN(C)[C@@H](c1cccnc1)c1ccc(F)cc1F 95400890 FBYLTFLUZAXYRQ-KRWDZBQOSA-N 306.356 3.418 0 40 DGAB CC[C@@H](NC(=O)NCCc1ccsc1)c1c(C)noc1C 95441252 YLHHQKLPTLETIP-CYBMUJFWSA-N 307.419 3.346 0 40 DGAB O=C(Nc1ccnc(O[C@H]2CCOC2)c1)c1ccccc1Cl 95449884 XPIWPNWYQRZFEP-LBPRGKRZSA-N 318.760 3.155 0 40 DGAB COc1cccc(CNc2nnc(C(F)(F)F)s2)c1OC 95464173 CYFJOUFKPFPMJI-UHFFFAOYSA-N 319.308 3.186 0 40 DGAB Cc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2C)o1 95989814 HAJCCHGLGCLWPS-AWEZNQCLSA-N 301.342 3.151 0 40 DGAB CC(C)OCCCc1nc2cc(C(F)(F)F)ccc2c(=O)[nH]1 96008275 XQAYGLHOTHEHCX-UHFFFAOYSA-N 314.307 3.300 0 40 DGAB c1cncc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)c1 96041615 SWHFTDNTWDBIFM-IPMKNSEASA-N 316.445 3.020 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)NC3CCCCC3)cc2)C1 96122338 MGRXORUKKBNINV-KRWDZBQOSA-N 317.433 3.366 0 40 DGAB CC(C)CN1CCC[C@@]2(CCN(C(=O)Cc3cccs3)C2)C1 96215291 RDKZIIFTUFFKDX-GOSISDBHSA-N 320.502 3.261 0 40 DGAB CO[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 96241661 VYRVGMIVYHDGCN-YOEHRIQHSA-N 305.393 3.039 0 40 DGAB CC(C)NC[C@H]1Cn2c(-c3cccc(Cl)c3)cnc2CO1 96269354 YQEHVUMZDMEVAV-AWEZNQCLSA-N 305.809 3.100 0 40 DGAB biogenic,in-vitro CO[C@H](CNC(=O)[C@@H](C)Oc1ccccc1)c1ccc(C)s1 96385553 VSLJDZNATXXASD-UKRRQHHQSA-N 319.426 3.328 0 40 DGAB COc1ccc(C)nc1NC(=O)CCc1c[nH]c2ccccc12 96445634 LHUOQZXJEQMHEB-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB Cc1ccc(C)c(S[C@@H]2CCN(C3CCOCC3)C2=O)c1 96447674 ZCDWHRWDVDPELJ-OAHLLOKOSA-N 305.443 3.175 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(c3cccnc3)C(C)C)c2)o1 96467376 DYTKHCGLSVBUDA-UHFFFAOYSA-N 322.368 3.495 0 40 DGAB Cc1cccc2c1N(C(=O)CCc1c(C)noc1Cl)CC2 97022699 QZRLIDKMSFYYEB-UHFFFAOYSA-N 304.777 3.467 0 40 DGAB COc1ccc2ccccc2c1-c1cc(Cn2cncn2)on1 97046847 KQIRSRSACBIJHW-UHFFFAOYSA-N 306.325 3.143 0 40 DGAB CCc1ccsc1C(=O)NCc1nnc(C2CC2)n1C1CC1 97376124 PYDSHGSVPPSUEV-UHFFFAOYSA-N 316.430 3.044 0 40 DGAB Cc1cccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)c1 100633045 NGNDJNAOGXWTSZ-DYVFJYSZSA-N 321.442 3.132 0 40 DGAB C[C@@H]1CCCN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1 101213700 BVLSFULDXKLTNC-RDHIYWLCSA-N 309.494 3.311 0 40 DGAB CO[C@H](CNC(=O)c1ccccc1C(F)(F)F)c1ccco1 206860809 WGHCZPHKYVXECW-CYBMUJFWSA-N 313.275 3.416 0 40 DGAB COc1cc(C=O)ccc1OCCCCN1CCC[C@H](C)C1 217797222 QAAXXPBOMJSCQO-HNNXBMFYSA-N 305.418 3.399 0 40 DGAB Cn1cccc1C(=O)N1C[C@H]2C[C@H](OCc3ccccc3)C[C@H]2C1 257257189 KOLNTQCZHBBQER-PIIMJCKOSA-N 324.424 3.093 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](Cc3cnc4ccccc4c3)C2)no1 257331285 XSDOOHVYKWXFCZ-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB Oc1ccc(O)c(-c2c[nH]nc2-c2ccc3c(c2)OCCCO3)c1 524734492 KKHSBGVEFQNPJM-UHFFFAOYSA-N 324.336 3.316 0 40 DGAB CCSc1ccccc1C(=O)NCc1cc(C2CC2)ncn1 585360093 DTLJKVBEMBBZPP-UHFFFAOYSA-N 313.426 3.396 0 40 DGAB Cc1nc(C(=O)N2c3ccccc3C[C@@H]2C)cc(C(F)(F)F)n1 1888859360 UGRYRXMTOMIAMU-VIFPVBQESA-N 321.302 3.395 0 40 DGAB CC(C)CCNC(=O)C1CCN(CCCc2ccccc2)CC1 299518 XVCBFGSTLWQXMF-UHFFFAOYSA-N 316.489 3.494 0 40 DGAB CN(C)C[C@@H]1CSCC[C@@]1(O)c1ccc(C(F)(F)F)cc1 347747 ADSAQTUAGOVXJN-ZIAGYGMSSA-N 319.392 3.208 0 40 DGAB COc1cccc(C(=O)N2CCN([C@H]3CCC[C@@H](C)C3)CC2)c1 783084 IPVDLPHKSIXDEZ-WBVHZDCISA-N 316.445 3.032 0 40 DGAB COc1ccc2c(c1)[C@@](O)(CN)CCCC[C@H](OC)CCCC2 1584364 SKTRNYRPGRIKCS-APWZRJJASA-N 321.461 3.143 0 40 DGAB C[C@H]1OC(c2cc3c(cc2Br)OCO3)O[C@@H]1C 1663785 ZOXAMEBQJPJRGY-RNFRBKRXSA-N 301.136 3.000 0 40 DGAB C[C@H]1CCc2c(sc3ncnc(NCCCCCO)c23)C1 1778466 GBLIZCKGLAOHKA-NSHDSACASA-N 305.447 3.391 0 40 DGAB Cc1nn(C)c2nc(-c3cnn(C)c3C)cc(C(F)(F)F)c12 2740968 JXIXLWBAMFKRRQ-UHFFFAOYSA-N 309.295 3.004 0 40 DGAB CC1CCC2(CC1)NC(=O)N(Cc1cccc(Cl)c1)C2=O 3446453 XCZLMDADSFFNFF-UHFFFAOYSA-N 306.793 3.341 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1c(F)cccc1F 3487333 BYYGWPBSAXRHPG-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC(=O)N(Cc1cccnc1)c1nc2c(F)cccc2s1 4273246 BUKJSQBDNJXQTO-UHFFFAOYSA-N 301.346 3.384 0 40 DGAB CC(C)N1C(=O)[C@@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 4554691 UPUVIELLDUXLJK-JLTOFOAXSA-N 323.392 3.148 0 40 DGAB O=S(=O)(NC[C@H]1C[C@H]2CC[C@@H]1C2)c1ccc(Cl)s1 4687115 AQULQMCRLFLXAW-IVZWLZJFSA-N 305.852 3.116 0 40 DGAB CC(=O)O[C@@H]1c2ccccc2C[C@]2(OC(C)=O)c3ccccc3[C@H]12 5049061 QILKONMDKUVPBN-AQNXPRMDSA-N 322.360 3.403 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)C1CCCCC1 5154059 QOISCLRHPGHULY-UHFFFAOYSA-N 312.413 3.431 0 40 DGAB O=C(COc1ccccc1)Nc1cccc(N2CCCCC2=O)c1 5441602 OAKBAVHENDNISA-UHFFFAOYSA-N 324.380 3.221 0 40 DGAB CCOc1ccc(-c2nnc3sc(-c4ccccn4)nn23)cc1 5562846 HGBJYFCYHHJZIB-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 7213006 RGOFXRPNRNGYRU-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1F)c1ccccc1F 7387668 NFCBBOSHCRDATO-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB COc1ccc(NCc2nc3ccsc3c(=O)[nH]2)cc1Cl 8127652 DQYYYXDKBAXAGD-UHFFFAOYSA-N 321.789 3.259 0 40 DGAB O=C(NC[C@H]1COC2(CCCC2)O1)c1ccc2ccccc2c1 10220526 QDGVNNHDOKAREK-KRWDZBQOSA-N 311.381 3.255 0 40 DGAB CCOC(=O)c1cc(CN[C@@H](C)c2cc3ccccc3o2)on1 12410824 DWGMNJWZPUHUJQ-NSHDSACASA-N 314.341 3.448 0 40 DGAB COc1ccc([C@@H]2CCCN2Cc2ccc(C(N)=O)cc2)cc1 12773673 WSHWHGAFGMRJEG-SFHVURJKSA-N 310.397 3.131 0 40 DGAB CC(=O)c1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)cc1 13253202 FYRWPAZMBVDRBO-MRXNPFEDSA-N 311.337 3.086 0 40 DGAB CC(C)C[C@@H](NC(=O)c1cccn1C)c1nc2ccccc2[nH]1 14095569 OGCKHMHKAAYFPD-OAHLLOKOSA-N 310.401 3.419 0 40 DGAB CC(=O)Nc1ccc(O[C@H](C)C(=O)N(C)c2ccccc2)cc1 14275955 GUUSEWKBKLOLLZ-CYBMUJFWSA-N 312.369 3.075 0 40 DGAB O=C(CCCn1ccnc1)Nc1nc2c(s1)CCCCCC2 19403596 RYHWGQMMWCVIKN-UHFFFAOYSA-N 318.446 3.418 0 40 DGAB O=C(O)CCCCCNC(=O)c1ccc(Cl)cc1Cl 20005949 CENZXWZVIUGROP-UHFFFAOYSA-N 304.173 3.368 0 40 DGAB CCCc1nnc2sc(-c3cccc(NC(=O)CC)c3)nn12 20609654 YHJMEZYMGOEWIO-UHFFFAOYSA-N 315.402 3.154 0 40 DGAB CC[C@@H](Oc1cccc(C)c1C)C(=O)NCCCN1CCCC1 22524009 WGXXAICNMRKWNI-QGZVFWFLSA-N 318.461 3.063 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)c1 24772945 CTKIXPRBVUTELD-INIZCTEOSA-N 312.369 3.200 0 40 DGAB Cc1ccc(CC(=O)NCCSCc2ccco2)cc1C 26114382 XMLDFEPZKFTWNM-UHFFFAOYSA-N 303.427 3.489 0 40 DGAB CCCOc1ccc(S(=O)(=O)n2cc(C)nc2CC)cc1C 27823054 BNMKSQYKPSPIAR-UHFFFAOYSA-N 322.430 3.088 0 40 DGAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)c1ccccn1 27922454 KJZYUBXPBQVJMI-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB Cc1ccc(C)c(NC(=O)c2nn(C)c(C)c2Br)c1 28304195 FCPNZOBTADRBQV-UHFFFAOYSA-N 322.206 3.360 0 40 DGAB CC(C)C(=O)Nc1ccc(F)c(-c2nnc3n2CCCCC3)c1 29903954 ZIFQZRHXHIBEKA-UHFFFAOYSA-N 316.380 3.405 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cnn(-c3ccccn3)c2C)c1 31871882 KCUDXYOBEBBBLL-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccc2C)cc1 32736286 DQBZHNWYXGAOQU-AWEZNQCLSA-N 310.397 3.122 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(-c3noc(C)n3)c2)cc1 33327466 PCZIRHCBGHXZON-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O 36635399 VMWKRWXLXQPQDG-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1ccc(-c2noc([C@@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 38671135 QNASOJDDMQWKMF-CQSZACIVSA-N 323.352 3.154 0 40 DGAB COc1ccc([C@@H](NC(=O)Nc2cc(C)nn2C)C2CC2)cc1 43433105 KVPQIECAUNBTKK-INIZCTEOSA-N 314.389 3.010 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)n1cccn1 44695345 OMJIXWXETCVKHQ-CQSZACIVSA-N 306.369 3.069 0 40 DGAB Nc1nc2cc(Br)cc(Br)c2s1 44712731 NBNMHIGTHJFJAH-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB in-vitro C[C@H](C(=O)Nc1nccs1)N1CCC[C@@H]1c1ccsc1 44977649 PWHSDEQMJFRWFT-ZYHUDNBSSA-N 307.444 3.369 0 40 DGAB COc1ccc(OCCN(C)C(=O)c2ccc(C)s2)cc1 47531581 IAIJWMJNTNWVFG-UHFFFAOYSA-N 305.399 3.216 0 40 DGAB N=C(Nc1nc2ccccc2[nH]1)Sc1ccccc1C(=O)O 50590152 NTIPLNMMSZMCMK-UHFFFAOYSA-N 312.354 3.400 0 40 DGAB CC(=O)c1cc(C(=O)N[C@@H](c2cccs2)C(C)C)n(C)c1 52990573 DNIOTJXYNGFMMM-OAHLLOKOSA-N 304.415 3.416 0 40 DGAB Cc1ccsc1C(=O)Nc1cnc(-c2cccc(O)c2)nc1 57883525 VYPGIDHEGPEOBI-UHFFFAOYSA-N 311.366 3.471 0 40 DGAB Cc1ccc(-c2csc(NC(=O)COCC3CC3)n2)cc1 58355583 IZVYFXCIOFZYMA-UHFFFAOYSA-N 302.399 3.484 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C)c2)c(C(=O)O)c1 58357115 VEAFABBJWBWFNP-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)[C@@H](C)OCC2CC2)cc1F 64807905 XZACPMLJYKYVOS-LLVKDONJSA-N 317.364 3.073 0 40 DGAB O=C(CCCn1cccn1)N[C@@H]1CCSc2c(F)cccc21 64898067 QDJHKZXKHHRONJ-CQSZACIVSA-N 319.405 3.156 0 40 DGAB O=C([C@@H](c1ccccc1)n1cccn1)N1CCc2ccccc2C1 65535829 FGYHZERRKCZGBE-LJQANCHMSA-N 317.392 3.057 0 40 DGAB COc1ccc(CNC(=O)c2ccc(Cl)cc2OC)cc1 67020251 PDPGTTCANPLQAG-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CC(C)c1noc([C@H](C)NC(=O)c2cc3ccccc3n2C)n1 67458971 WHEHTCKSMYWNCN-NSHDSACASA-N 312.373 3.176 0 40 DGAB CCOc1cccc(CN[C@H](C)[C@@H](C)n2cccn2)c1OC 69368518 VBFGZUZHPRQBSI-ZIAGYGMSSA-N 303.406 3.030 0 40 DGAB CSc1ccsc1C(=O)NCc1noc(-c2ccco2)n1 69630136 WDARMVJPYAXVAL-UHFFFAOYSA-N 321.383 3.043 0 40 DGAB O=C(NCc1cscn1)N[C@H](c1ccccc1)C1CCC1 69738193 LCZYLCCEHBIXAH-OAHLLOKOSA-N 301.415 3.484 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1C[C@@H](C)OC[C@H]1C 71185314 YLBCBWUHVPZFHJ-VXGBXAGGSA-N 316.426 3.368 0 40 DGAB NC(=O)c1ccc(NC(=S)Nc2cccc(Cl)c2F)cc1 71326186 LLKASEPPKPXZOK-UHFFFAOYSA-N 323.780 3.387 0 40 DGAB Cc1n[nH]cc1CN[C@@H](c1ccc2c(c1)OCCCO2)C(C)C 71819520 MMLUKPQFHFSSTJ-GOSISDBHSA-N 315.417 3.366 0 40 DGAB CCN1CCC(N(C)C(=O)[C@@H]2C[C@H]2c2ccc(C)s2)CC1 71853411 GCYCIGBMJUYXSB-HUUCEWRRSA-N 306.475 3.103 0 40 DGAB O=C(Nc1c(F)cccc1Oc1ccccc1)N1CCOCC1 71886081 ZQCMSDBYQXZALN-UHFFFAOYSA-N 316.332 3.482 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@H]1c1ccccc1 72243857 IUAYONMOXWSNHB-STQMWFEESA-N 309.291 3.188 0 40 DGAB CC1CCC(=CC(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 72285162 ZHAIJEYNVUDDEQ-UHFFFAOYSA-N 316.401 3.016 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@H]3CCC[C@H]32)c1 72296903 MGHLYVNBOLTXKX-RHSMWYFYSA-N 312.413 3.218 0 40 DGAB CCc1cnc(CN2CCC[C@H](c3noc(C(C)C)n3)C2)o1 72299821 IDMRZRJRDJYNNT-LBPRGKRZSA-N 304.394 3.123 0 40 DGAB Cc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 72389910 VYVVFJQQLZNVQE-QGZVFWFLSA-N 320.396 3.430 0 40 DGAB CC(C)c1nnc2sc(-c3cnn(-c4ccccc4)c3)nn12 72404373 WGCGVQGICGUJAT-UHFFFAOYSA-N 310.386 3.162 0 40 DGAB CC[C@@H](NCc1cnn(C)c1)c1nc(C(F)(F)F)cs1 72926721 LHPMNSYAYCLJEC-SECBINFHSA-N 304.341 3.136 0 40 DGAB Cc1ccc2cccc(S(=O)(=O)N3CCc4ccccc43)c2n1 75109524 QZEVTAPJVXOBLK-UHFFFAOYSA-N 324.405 3.295 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)N[C@@H](C)Cc2ccco2)cc1 75166746 ZOBOIHXDCLIBOQ-MARXPDLDSA-N 305.399 3.109 0 40 DGAB Cc1nn(-c2ccccc2)cc1CNC[C@H](c1ccco1)N(C)C 78420177 BMTLIYNXEYKVDN-GOSISDBHSA-N 324.428 3.166 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)Nc1cccc(NC(C)=O)c1 79038089 GJKSYCRYIDKQGD-INIZCTEOSA-N 304.390 3.321 0 40 DGAB Cc1nn(C)c(NC(=O)[C@H]2SCCc3ccccc32)c1C 80105471 NCCOYIGJYVMHOB-AWEZNQCLSA-N 301.415 3.006 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80344631 AJGBCQPEMPUBKP-HUUCEWRRSA-N 313.328 3.339 0 40 DGAB O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502214 OMAUSDXSWSWNNH-GHMZBOCLSA-N 322.286 3.136 0 40 DGAB CC(C)n1c(CNC[C@@H]2CCCn3ccnc32)nc2ccccc21 84633109 BRDOJHIUYFMVEI-HNNXBMFYSA-N 323.444 3.481 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)Nc2ccc(-n3nccn3)cc2)C1(C)C 84671105 LVOVKNYHPCBZKI-CVEARBPZSA-N 310.401 3.444 0 40 DGAB Cc1ccc2c(CN3CCC[C@H](c4ncc[nH]4)C3)cc(=O)oc2c1 95405687 SQGKEBIHEVQWGW-AWEZNQCLSA-N 323.396 3.204 0 40 DGAB C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc2cn[nH]c12 95450642 YLFPOKLDTGVNPM-SNVBAGLBSA-N 313.382 3.016 0 40 DGAB O=C(Nc1nc(-c2cccs2)cs1)c1n[nH]c2c1CCC2 95479743 MZIMEQCKWXJAMW-UHFFFAOYSA-N 316.411 3.336 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@](C(=O)O)(c2ccccc2)C1 95919622 QDUYSEHCJSUXPE-QGZVFWFLSA-N 305.374 3.040 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@@H]1C[C@H]1c1cccc(F)c1 95947929 STRUGYIMLZEVCD-YLFCFFPRSA-N 314.360 3.463 0 40 DGAB CCO[C@H]1CCN(C(=O)c2cncc(C)c2)[C@H]1Cc1ccccc1 96069913 LZDRPKPPJGQHNW-OALUTQOASA-N 324.424 3.252 0 40 DGAB CC(=O)Nc1cccc2c1ccn2CC(=O)NC1CCCCC1 96117192 VKFNHZLGPCSDKX-UHFFFAOYSA-N 313.401 3.049 0 40 DGAB Cc1cc(C(=O)NC[C@@H](C)CC2(C)OCCO2)c(C)n1C(C)C 96418622 RSEHMCLXJBFGSU-ZDUSSCGKSA-N 322.449 3.205 0 40 DGAB Cc1cc(NC(=O)NC2CCC(O)CC2)ccc1OC(C)C 96435288 QBINQHFJLMXAQU-UHFFFAOYSA-N 306.406 3.207 0 40 DGAB O[C@H](COc1cccc2[nH]ccc12)CSc1ccccn1 96471589 KYZSVCSRHPRCEU-GFCCVEGCSA-N 300.383 3.095 0 40 DGAB CN(Cc1ccncc1)[C@@H](CO)c1cccc(Br)c1 96487668 XULWWISBOBOUMQ-HNNXBMFYSA-N 321.218 3.010 0 40 DGAB CCn1c(Sc2ccnc(C)n2)nc2scc(C)c2c1=O 97009698 HYMDQNWORGJJPY-UHFFFAOYSA-N 318.427 3.036 0 40 DGAB C[C@@H](CN1CCC(n2cncn2)CC1)c1cccc(Cl)c1 97103862 KNOCYDKTFAMGOB-ZDUSSCGKSA-N 304.825 3.372 0 40 DGAB CCC1(CC)Oc2ccc(N[C@H](C)CCn3cncn3)cc2O1 97105125 AWVJBCJLOZOBDI-CYBMUJFWSA-N 316.405 3.456 0 40 DGAB COc1ccc2oc(CNc3ccc4c(c3)OCC(=O)N4)cc2c1 97113763 BZUHIEQYBQNFGC-UHFFFAOYSA-N 324.336 3.384 0 40 DGAB O=C(c1cccc(CNC/C=C/c2ccco2)c1)N1CCCC1 97230162 VARABESNJATTOP-XBXARRHUSA-N 310.397 3.319 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 108860283 LNDBOYAKFWSGQU-UGUYLWEFSA-N 317.429 3.405 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@H](Oc2ccncc2)C1 127497300 VGYHDIBZQVOWKT-ZDUSSCGKSA-N 317.776 3.420 0 40 DGAB C[S@@](=O)Cc1ccccc1NC(=O)CCc1cccs1 131412062 WREWNGXETZQVKJ-FQEVSTJZSA-N 307.440 3.198 0 40 DGAB Cc1ccc(F)c(CN[C@@H](CS(C)(=O)=O)c2ccccc2)c1 154955217 HBKNGUFRWLBJKG-KRWDZBQOSA-N 321.417 3.010 0 40 DGAB CCc1ccccc1C(=O)N[C@@H](CCO)c1ccc(OC)cc1 192440817 MDMMOTWXDJCIMC-SFHVURJKSA-N 313.397 3.111 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](O)c1cccc(Br)c1 204135310 VESWBJPOZNMSFH-LLVKDONJSA-N 316.195 3.007 0 40 DGAB O=C(NCc1cnn2c1CCCC2)Nc1ccccc1Cl 225612154 AOYBIMAADVWUST-UHFFFAOYSA-N 304.781 3.195 0 40 DGAB Cc1ccc(Cc2nnc(SCc3ccccc3C)n2N)cc1 226299514 OMDGNMYTDIKWKC-UHFFFAOYSA-N 324.453 3.492 0 40 DGAB Cc1ncccc1NC(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 226749478 YYSAYPDKRFTKKZ-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB COc1cc(N)cc(Br)c1NC(=O)c1ccccc1 227146405 HXEDKAGCNLFIGL-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB O=C(c1cnco1)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257256277 KKULZZNOHGTBNH-AWEZNQCLSA-N 321.380 3.318 0 40 DGAB COc1cc(CN2CCC[C@@H]2c2nc(C)c[nH]2)cc(OC)c1 257316416 VFMLGHCQAMKHCT-MRXNPFEDSA-N 301.390 3.072 0 40 DGAB CC(C)Cc1ncc(-c2cncc([C@@H]3CCCNC3)n2)s1 257322562 WGMNSCQWKFEBHO-GFCCVEGCSA-N 302.447 3.266 0 40 DGAB OCc1cccc(N(Cc2ccon2)C2Cc3ccccc3C2)c1 279257410 HRQNXLIQELVVLQ-UHFFFAOYSA-N 320.392 3.341 0 40 DGAB C[C@H]1C[C@H](NCc2c(F)cccc2Br)CCN1C 390833407 HAYFLYWYDNPXCE-WDEREUQCSA-N 315.230 3.161 0 40 DGAB Cc1cccc2c1CC(C)(C)N(C(=O)[C@@H](C)c1cnn(C)c1)C2 573675117 PUJBAYGBYHKIBB-AWEZNQCLSA-N 311.429 3.196 0 40 DGAB CC[C@H]1CN(CC2Cc3ccccc3C2)CCN1CC(F)F 585085007 MXWRDRUPKJBDMC-KRWDZBQOSA-N 308.416 3.063 0 40 DGAB CCC(=O)N1CC[C@H]2[C@@H](C1)CC(C)(C)N2c1ccc(F)cc1 1615159214 PBFCANQUEONHTM-CJNGLKHVSA-N 304.409 3.442 0 40 DGAB COc1c(S(=O)(=O)N2CCCCC2)ccc(Cl)c1Cl 270286 FOFWDVQESSHHCT-UHFFFAOYSA-N 324.229 3.177 0 40 DGAB CCC(=O)Nc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1 501186 NEVHTEKZTDAUEC-FOWTUZBSSA-N 320.348 3.380 0 40 DGAB CCOC(=O)c1cnc(SC)nc1Nc1cccc(C)c1 1644771 RNPGWYUPCBAKHW-UHFFFAOYSA-N 303.387 3.427 0 40 DGAB O=c1c(Cl)c(NCc2ccccc2)cnn1-c1ccccc1 1948001 MSVHPVFARXZQBN-UHFFFAOYSA-N 311.772 3.498 0 40 DGAB CCCc1cc(=O)oc2c3c(cc(OC)c12)OC(C)(C)CC3=O 2137851 ABYUGVJPSYHIQF-UHFFFAOYSA-N 316.353 3.498 0 40 DGAB biogenic S=C(NCCc1c[nH]cn1)Nc1ccc(Cl)cc1Cl 2202840 LTORBSOFNZHIAW-UHFFFAOYSA-N 315.229 3.246 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)NCc1ccccc1Cl 5451834 OXFSQKXPQNDLRG-UHFFFAOYSA-N 313.788 3.465 0 40 DGAB CCC(CC)C(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 5917599 AJWWTMYUEAVSKQ-VIFPVBQESA-N 308.447 3.347 0 40 DGAB Cc1ccsc1C(=O)OCc1nc(-c2ccccc2)no1 5974175 BOEAOODRLYIBBI-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB Cc1ccccc1NC(=O)CSc1nnc2n1CCCCC2 6098132 OSDAFVDDYOTUJW-UHFFFAOYSA-N 316.430 3.044 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 6159554 UNYZPFOQFFMSJC-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCCC2)cc1C(C)C 6667930 SRXGEFFAXWILKQ-UHFFFAOYSA-N 311.447 3.302 0 40 DGAB CCCCNC(=O)CCc1nc(-c2ccccc2Cl)no1 6810802 BLASAWGWQIMMJL-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB COc1ccccc1NCC(=O)Nc1cc(C(C)(C)C)no1 7115882 XVTOCYFNEYYXTG-UHFFFAOYSA-N 303.362 3.031 0 40 DGAB O=C(COc1ccccc1Cl)N1CCC(c2ccccc2)=N1 7168116 BIWQITZKXBZEMG-UHFFFAOYSA-N 314.772 3.355 0 40 DGAB Cc1ccccc1CNC(=O)c1ccccc1N1CCCC1=O 8053266 IIBZBMIYFJHIRK-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB CSc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 8945879 SPQZYEQQURNIGL-UHFFFAOYSA-N 301.367 3.432 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccccc2SC)c1 9447324 XYVZJRCFCFJPRB-UHFFFAOYSA-N 314.410 3.411 0 40 DGAB Cc1ccccc1OCCSCc1ccc(C(N)=O)cc1 9935710 LWWPXWQVEWTRDO-UHFFFAOYSA-N 301.411 3.406 0 40 DGAB O=C1c2ccccc2C(=O)N1c1nnc(-c2ccccc2)s1 10150904 HUHVPBZZTRDCSZ-UHFFFAOYSA-N 307.334 3.006 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1cc(-c2cccs2)on1 10252148 BIPAUEXGMFRWGR-UHFFFAOYSA-N 310.334 3.199 0 40 DGAB C[C@@H](Sc1ccc(C(F)(F)F)cn1)C(=O)NC(C)(C)C 10535905 KFJOZTQUDUCPIH-MRVPVSSYSA-N 306.353 3.496 0 40 DGAB CCc1nc2ccc(NC(=O)CCCc3ccncc3)cc2[nH]1 12147412 IBRHBXOSJLDUTI-UHFFFAOYSA-N 308.385 3.482 0 40 DGAB COc1ccc(OC[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)C(C)C)cc1 12219989 IINRNKLFRNRMKT-KEYYUXOJSA-N 303.402 3.110 0 40 DGAB O=C(NCCc1ccccc1F)c1cn2cc(Cl)ccc2n1 12322934 JVTBNVKHUVCSQT-UHFFFAOYSA-N 317.751 3.099 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)s1 13141846 HQVAFOMULXJEHK-CYZMBNFOSA-N 309.431 3.154 0 40 DGAB Cc1ccc(NCc2n[nH]c(=S)n2C[C@@H]2CCCO2)c(C)c1 13534187 QBXIZUQROUHVAV-ZDUSSCGKSA-N 318.446 3.349 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@H]1CCCc2ccccc21 13939636 GZNCRPNDYLBFNB-KRWDZBQOSA-N 301.411 3.184 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)Nc1c(F)cccc1F 15330027 OBVRJNNUTWBJCU-JTQLQIEISA-N 307.296 3.379 0 40 DGAB CCOc1ccc(C(=O)NC[C@@H](c2ccc(C)o2)N(C)C)cc1 15860118 OFHKYGXATFUOJZ-INIZCTEOSA-N 316.401 3.019 0 40 DGAB O=C(OCc1cccc(F)c1F)c1ccc2nccnc2c1 16659339 PDNNGORTQXVNII-UHFFFAOYSA-N 300.264 3.265 0 40 DGAB Cc1cc(CN(C)Cc2cc(Cl)c3c(c2)OCCCO3)n[nH]1 19658775 WBNUUKMERKLNKN-UHFFFAOYSA-N 321.808 3.165 0 40 DGAB C[C@@H]1CCCN(Cc2ccc(C(=O)NCc3ccco3)cc2)C1 20107420 IHTFROIACGJGCT-OAHLLOKOSA-N 312.413 3.442 0 40 DGAB C[C@@H](N)[C@@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 21948399 KKBVMNKYVQAAIK-DYVFJYSZSA-N 319.449 3.098 0 40 DGAB O=C(O)Cc1csc(Nc2ccc(OC(F)(F)F)cc2)n1 26423418 PYKOQDAEGOONQF-UHFFFAOYSA-N 318.276 3.412 0 40 DGAB CCCOc1ccccc1C(=O)NCc1ccc2c(c1)OCO2 27663184 SHBGSMJBAYRISE-UHFFFAOYSA-N 313.353 3.134 0 40 DGAB CCCCCC(=O)N[C@H](c1ccc(F)cc1)c1nccn1C 29987109 HFXHIHXOIRIMFL-MRXNPFEDSA-N 303.381 3.345 0 40 DGAB CCCCOc1ccc(OCCCCN2CCOCC2)cc1 31923652 RTLMZZHYKGSREQ-UHFFFAOYSA-N 307.434 3.357 0 40 DGAB CC(=O)c1cccc(NC(=O)CSc2ccccc2N)c1 32691290 BDPQHITYKGWVOX-UHFFFAOYSA-N 300.383 3.202 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1(C)C 32843256 VOGXJNLLDHIONR-BLLLJJGKSA-N 314.385 3.194 0 40 DGAB COc1ccc(-c2nnc(C(C)=O)n2Nc2ccccc2)cc1 36649188 UVINWESBABRGBZ-UHFFFAOYSA-N 308.341 3.032 0 40 DGAB COc1ccc2cc(C(=O)Nc3cccc(C)c3)c(=O)oc2c1 39753792 LFETYVRLKOFZPU-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB O=C1CCc2cc(Br)cc(Br)c2N1 43220584 RSLXXGCJTGCWIZ-UHFFFAOYSA-N 304.969 3.096 0 40 DGAB CSc1ccc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)cc1 43584329 NGQSULOZDVAYKQ-LBPRGKRZSA-N 307.415 3.126 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2sc(C)nc2C)c1 44869906 NPALNBAZFWGEDK-VIFPVBQESA-N 320.414 3.268 0 40 DGAB O=C1OCCN1CCc1nc(-c2ccc3c(c2)CCC3)cs1 45816906 HIRHHDMGJJEQCU-UHFFFAOYSA-N 314.410 3.294 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc(-c2cnco2)cc1 47409493 SFDRZSAVEMAFPP-UHFFFAOYSA-N 322.320 3.365 0 40 DGAB CCCCCCNC(=O)Nc1ccccc1CN1CCOCC1 48146837 MWGGGUSROACTIU-UHFFFAOYSA-N 319.449 3.221 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)CCc2ccco2)cc1F 48265740 OWTYMZRJACAINW-LBPRGKRZSA-N 305.349 3.107 0 40 DGAB c1csc(-c2nc(COn3nnc4ccccc43)cs2)c1 58086105 LOJLFJHWAYPALS-UHFFFAOYSA-N 314.395 3.245 0 40 DGAB FC(F)(F)c1ccn(-c2ccc(CNc3ncccn3)cc2)n1 58159254 WNZBNIBKIXGZSA-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB COc1cccc(CSCCC(=O)Nc2cc(C)on2)c1 64374962 PWYPFQWYVGYGHM-UHFFFAOYSA-N 306.387 3.254 0 40 DGAB O=C(CCc1nnc(-c2ccsc2)o1)NCC1CCCC1 65452385 GFLVJUNOUNUCHL-UHFFFAOYSA-N 305.403 3.037 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2ccccc2F)c1C 65565926 KOWODIAKXJSKDB-UHFFFAOYSA-N 302.349 3.118 0 40 DGAB C[C@@H](NC(=O)Nc1ccc2oc(=O)n(C)c2c1)c1ccccc1 65626282 LTMJXNUVQFZJKK-LLVKDONJSA-N 311.341 3.014 0 40 DGAB CC(C)SCc1nnnn1-c1ccccc1Br 69166304 KAKYSFYTGHSJPF-UHFFFAOYSA-N 313.224 3.066 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccc1)c1cccc(O)c1 69425525 MDENUDVIBOWPFN-DNVCBOLYSA-N 324.424 3.234 0 40 DGAB Cc1ccccc1[C@@H]1CCN(C(=O)c2cnc3onc(C)c3c2)C1 69485397 VPUMZXIDROAZFA-CQSZACIVSA-N 321.380 3.469 0 40 DGAB Cc1ccc(CNC(=O)NCCc2csc(C(C)C)n2)cn1 69626763 UDODEPKVADDPLD-UHFFFAOYSA-N 318.446 3.012 0 40 DGAB Cc1c(NC(=O)N2C[C@@H](C)O[C@H](C)C2)cccc1OC(F)F 69892926 BMAMCRUQVWTUAH-NXEZZACHSA-N 314.332 3.238 0 40 DGAB Cc1cc(Br)cnc1NC(=O)Cc1ccc(F)cc1 71499052 QOPJFKVPWKJQKE-UHFFFAOYSA-N 323.165 3.473 0 40 DGAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H]2CCCO2)CC1 71820042 MQXCBQSHEFUHQS-QGZVFWFLSA-N 312.413 3.361 0 40 DGAB Cc1noc(CCCC(=O)N2CC(C)(C)[C@@H]2c2ccccc2)n1 71823383 HUNGVJRIPATVOK-KRWDZBQOSA-N 313.401 3.310 0 40 DGAB CCOc1ccc(Cl)cc1-c1noc([C@@H]2CCCNC2)n1 72209121 IUZJIWHAFBOOAY-SNVBAGLBSA-N 307.781 3.256 0 40 DGAB CC[C@H](NC(=O)N1CCS[C@H](C)[C@@H]1C)c1c(C)nn(C)c1C 76201065 QPTYEKOXHDEGJN-YUTCNCBUSA-N 324.494 3.023 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 79043813 ZSDHVHGODMJTFG-VIFPVBQESA-N 311.744 3.225 0 40 DGAB CN(CCCOc1ccc(Cl)cc1)C(=O)[C@@]1(C)CCCO1 79069808 UVGHYZNLQLLRRU-MRXNPFEDSA-N 311.809 3.136 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2nc3ccccc3o2)C1 79440529 VKBBFNBSDFUDDG-LLVKDONJSA-N 303.362 3.249 0 40 DGAB C[C@H](N[C@H](C)c1nc2cc(Cl)ccc2n1C)c1cnn(C)c1 91346579 VFHOZUGOHIGFIS-WDEREUQCSA-N 317.824 3.372 0 40 DGAB C[C@H](CCc1cccc(F)c1)NCc1cc(C(N)=O)cs1 95427545 ARTFSPYINPPLTD-LLVKDONJSA-N 306.406 3.097 0 40 DGAB C[C@@H]1CC[C@H](C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)O1 95434175 GMGDJJDHXPZOHL-PNBKFKSVSA-N 321.417 3.042 0 40 DGAB O=C(NC[C@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccoc1 95970702 NOXISGMEDBSNHV-KRWDZBQOSA-N 323.348 3.106 0 40 DGAB Cc1nc2ccccc2n1CCOc1nnc(-c2ccccc2)o1 95981507 IDDUMHRNOAUWFW-UHFFFAOYSA-N 320.352 3.474 0 40 DGAB Cc1ccc(CCNC(=O)N2C[C@H](C)[C@@H]2c2ccccc2)cn1 96440075 RCVLFXSJAAANCX-KBXCAEBGSA-N 309.413 3.335 0 40 DGAB O=C(NC[C@H]1SCCc2ccccc21)c1cccnc1S 96454676 FERHQSKLLOQTKQ-CQSZACIVSA-N 316.451 3.131 0 40 DGAB CC(C)(C)NC(=O)c1ccc(NCc2nccn2C(F)F)cc1 96461162 ZGCVCNXDBGIGLA-UHFFFAOYSA-N 322.359 3.419 0 40 DGAB Cc1nc(C)c(CN[C@@H]2CCN(c3ncccc3Cl)C2)s1 96462950 RJGAYHPWFYSODM-GFCCVEGCSA-N 322.865 3.177 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)n(C)n1 96493030 AMJKSEGFDVSOQA-ZDUSSCGKSA-N 319.792 3.026 0 40 DGAB Cc1ncc(C(=O)Nc2ncccc2-c2ccccc2)c(C)n1 97055137 YJPPZPKHQOEKMQ-UHFFFAOYSA-N 304.353 3.408 0 40 DGAB Cc1nc2ncc(C(=O)N3c4ccccc4SC[C@@H]3C)cc2[nH]1 97108944 FTLVSRJMHMGLMR-JTQLQIEISA-N 324.409 3.407 0 40 DGAB O=c1[nH]c2ccccc2nc1CN1CCC[C@@H]1c1ccc(F)cc1 97201326 FECWMRYQJNWWBC-GOSISDBHSA-N 323.371 3.399 0 40 DGAB Cc1cc(Cl)c(NC(=O)N[C@@H](C)C[S@@](C)=O)cc1Cl 97372533 VLYIBGRVJRFPIQ-RLBGWGEZSA-N 323.245 3.190 0 40 DGAB C[C@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccc(-n2cncn2)cc1 104649560 BQUCIFFUPMZVGL-OTRWWLKZSA-N 324.428 3.271 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NS(=O)(=O)Cc1ccccc1)C2 106522798 VAXCYJOXMMLAKY-ZOBUZTSGSA-N 307.459 3.321 0 40 DGAB O=C([C@@H]1CCOc2ccccc21)N1CCCc2cccc(O)c21 107225318 WMGDDNGAEPCFRT-OAHLLOKOSA-N 309.365 3.238 0 40 DGAB CCO[C@@H]1C[C@@H](N[C@H](C)CC(=O)OC(C)(C)C)C12CCCC2 108376689 JBDQQZCBUQMFOD-RBSFLKMASA-N 311.466 3.434 0 40 DGAB O=C(Nc1cccnc1)C(=O)Nc1cccc(-c2cccs2)c1 124342660 UQENENFIPHGBOM-UHFFFAOYSA-N 323.377 3.387 0 40 DGAB COC1CCC(Nc2ccccc2N2CCC(O)CC2)CC1 195574105 OSIQLAVNHKRGGM-UHFFFAOYSA-N 304.434 3.017 0 40 DGAB CCOc1cc(C(=O)O)cc(Cl)c1OCc1cccnc1 216845356 YNDNHABHJURTIW-UHFFFAOYSA-N 307.733 3.411 0 40 DGAB CC[C@@H](C)NC(=S)Nc1cc(C(=O)OC)ccc1Cl 225272230 KFUXSMJFSDORPG-MRVPVSSYSA-N 300.811 3.212 0 40 DGAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccccc1C 225850357 LIBOHLKWPXTQOP-CQSZACIVSA-N 308.403 3.029 0 40 DGAB COc1cccc(NC(=O)c2cc3cc(C)ccc3oc2=O)c1 226036789 QYKDSCPWBPMVBK-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)o1 226301128 SGUYXOXWDNSEOC-CHWSQXEVSA-N 314.385 3.087 0 40 DGAB CC[C@@H](C)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 227115141 YZTINIZANLIYCZ-SNVBAGLBSA-N 311.307 3.419 0 40 DGAB Cc1nc([C@@H]2CCCN2Cc2cccs2)cc(N(C)C)n1 257232977 GNESSASXWIGDDW-HNNXBMFYSA-N 302.447 3.250 0 40 DGAB CC(C)Oc1ccc([C@@H]2CNCCN2Cc2cscn2)cc1 257287521 PQHZAWUJYBKEAD-KRWDZBQOSA-N 317.458 3.077 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3csc(C)n3)C2)s1 257304704 SMUIPJLGHSKYTK-GFCCVEGCSA-N 321.471 3.165 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 257304839 SNJFOAUPEHPCMN-HNNXBMFYSA-N 315.392 3.196 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(C(=O)c3sccc3C)C2)c1 257316792 VHABEZPQGVBIGC-ZDUSSCGKSA-N 315.442 3.431 0 40 DGAB CN1C(=O)S/C(=C\c2cc(Cl)c(O)c(Cl)c2)C1=O 408816652 WMKJZHJWDFYYJS-YWEYNIOJSA-N 304.154 3.365 0 40 DGAB CC1=N/C(=C\c2c(C)nn(-c3ccc(C)cc3C)c2C)C(=O)O1 408996160 OKADUNMNSLJDQT-SXGWCWSVSA-N 309.369 3.422 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(c3ccc(Cl)cc3)C2=O)o1 409172543 KLRHLGQLTOSKPR-MDWZMJQESA-N 302.717 3.339 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccccc2CN(C)C)sc1C 585139797 SGCOMSXBUQWSBL-UHFFFAOYSA-N 324.471 3.227 0 40 DGAB CO[C@H]1CN(C(=O)c2cccnc2C)CC[C@@H]1Cc1ccccc1 585279783 OYAASOGRRKNACJ-MJGOQNOKSA-N 324.424 3.110 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Cl)c(Br)c1 1083807069 YDWWRUHZJQXCPW-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB CCc1cnc(N2CCC[C@H](COc3ccnc(C)c3)C2)nc1 1776001359 OZPCNFZRYZCGIS-INIZCTEOSA-N 312.417 3.038 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 2049238314 FJZKBPUBWKYMHG-ZQRVRJEASA-N 302.414 3.346 0 40 DGAB Nc1c(-c2nnnn2-c2ccc(Cl)cc2)cnc2ccccc12 119495 PIZONGWEBUORST-UHFFFAOYSA-N 322.759 3.113 0 40 DGAB COc1ccc(NC(=O)COc2cccc(C)c2C)c(OC)c1 514113 LCLVYWUTYPGCBL-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB O=C1O[C@H]([C@@H]2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 1646123 AMJPNPLLTGFUIC-APWZRJJASA-N 304.345 3.442 0 40 DGAB Cc1ccc(C)c(SCC(=O)Nc2sccc2C(N)=O)c1 2640605 LTQYIUBCCIXWMQ-UHFFFAOYSA-N 320.439 3.195 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(F)cc1F 3435198 RLLWYKNXMONFFI-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CC[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1CC 3596421 VASJZBSIBJJUIJ-SNVBAGLBSA-N 324.475 3.033 0 40 DGAB Cc1cccc(C(=O)NCCc2cc3ccc(C)cc3[nH]c2=O)c1 3911742 MXFBKZFXQNASDK-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB N=C1NC(=O)/C(=C/c2ccc(OC(=O)c3ccccc3)cc2)S1 5637395 ODSKKNZBNFPNON-UVTDQMKNSA-N 324.361 3.044 0 40 DGAB COc1ccccc1NS(=O)(=O)c1cc(Cl)ccc1C 5652582 LRFBFJRWZMPUMO-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1F 6078667 PYSCRHBGFHHLHJ-UHFFFAOYSA-N 302.301 3.394 0 40 DGAB CCN(CC)CCn1c2ccccc2c(=O)n1-c1ccccc1 6416375 QBNFNVSCKGQLBQ-UHFFFAOYSA-N 309.413 3.134 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCCOc1ccccc1 6639194 WPFPQOXOXXSJGC-UHFFFAOYSA-N 308.381 3.296 0 40 DGAB Cc1c(C)n(CCc2ccccc2)c2ncnc(NCCCO)c12 6759915 HGKNOHQQAUHBKS-UHFFFAOYSA-N 324.428 3.085 0 40 DGAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccccc1Cl 7602060 LTCATISTABXEKH-UHFFFAOYSA-N 317.805 3.400 0 40 DGAB O=C(Cn1c(=O)oc2cc(Cl)ccc21)NC1CCCCCC1 8316193 GGRJGZYLPVJGLC-UHFFFAOYSA-N 322.792 3.087 0 40 DGAB COc1cc(C)c(NC(=O)[C@@H]2CC2(Cl)Cl)cc1OC 8769663 YUJDNTMFSFDSHS-QMMMGPOBSA-N 304.173 3.145 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2ccc(F)cc2)cc1 8915642 ZIZJTNXDCJSYCW-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1ccc(Nc2nc(N(C)C)nc3c2cnn3C)cc1Cl 9212226 SQTPFMHKUBAJAM-UHFFFAOYSA-N 316.796 3.135 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)Nn1cnc2ccccc21 10403931 KYLJEOKVHQUJAT-UHFFFAOYSA-N 319.368 3.013 0 40 DGAB C[C@@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC1CC1 10715071 XMUKCNBQXSWJMW-SECBINFHSA-N 306.362 3.240 0 40 DGAB Cc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(F)cc2Cl)n1 14082972 OISAUWOVMHCYJO-ZCFIWIBFSA-N 314.773 3.025 0 40 DGAB Cc1ccc(C(C)(C)CC(=O)Nc2ccc(C(N)=O)cc2)cc1 14125078 XXMSQZFBKBQAJC-UHFFFAOYSA-N 310.397 3.400 0 40 DGAB COc1ccc(NC(=O)CCn2ccc3ccncc32)c(C)c1 19570941 GTCQGJQSTZHOQW-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 19910591 JZSVUGRUAFUAJK-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB COc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(C)cc2)cc1 20483377 CAYPNDUXECLHSH-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB Cc1nc(S[C@H](C(N)=O)c2ccccc2)n(CC(C)C)c1C 21483514 TURJRTHDUFUFLO-HNNXBMFYSA-N 317.458 3.475 0 40 DGAB O=C(COc1ccc(Cl)cc1)NCCOc1ccc(F)cc1 22479852 LIBSAJHJQZTBQT-UHFFFAOYSA-N 323.751 3.053 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 22515410 PGNNAUSHYNVMSJ-CYBMUJFWSA-N 313.353 3.438 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1cccc(C)n1)c1ccccc1 27088066 RWCCCULBVYQCCD-GOSISDBHSA-N 311.429 3.203 0 40 DGAB O=C(Nc1ccc(Br)c2cccnc12)[C@@H]1CCCO1 27930486 LEIPJBSAUYIXCT-LBPRGKRZSA-N 321.174 3.115 0 40 DGAB CC(=O)c1cccc(N[C@@H](C)C(=O)Nc2nc(C)c(C)s2)c1 29573288 SOGHVADQHKCQEW-JTQLQIEISA-N 317.414 3.402 0 40 DGAB Cc1nc(CCNC(=O)C2(c3cccc(Cl)c3)CC2)cs1 30765811 NGWJVWLQMONDBE-UHFFFAOYSA-N 320.845 3.495 0 40 DGAB Cc1ccc(-n2cc(C(=O)NCCC3=CCCCC3)nn2)cc1 32477976 DBGHWMIJYGZFFW-UHFFFAOYSA-N 310.401 3.196 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)cc1F)c1nnc2ccccn12 32810386 CDYZLCXYHQHKGX-VIFPVBQESA-N 318.739 3.013 0 40 DGAB O=C(Nc1ccccc1Cn1cccn1)c1ccc(F)c(F)c1 36832984 GCVOEZXFJMZAIT-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1 39644103 RKAOHXRCNFDMOS-CQSZACIVSA-N 307.390 3.279 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)CCC3CCCCC3)C2)n1 41122246 VRJNPVCLAAZHDS-HNNXBMFYSA-N 305.422 3.445 0 40 DGAB O=C(O)[C@@H](c1cc(Br)cs1)N1CCCCC1 41678549 VQPXSLFOXZWFTB-SNVBAGLBSA-N 304.209 3.122 0 40 DGAB CCOCCCNC(=O)[C@H](C)Oc1cc(C)ccc1C(C)C 42124289 HSPHPNXGVOSNRJ-HNNXBMFYSA-N 307.434 3.429 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)c1 42671492 ARZKQSWHPBJYDL-RDTXWAMCSA-N 311.381 3.321 0 40 DGAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(F)cc1 44904763 IEKIUEOWTQUXQD-CYBMUJFWSA-N 317.360 3.308 0 40 DGAB Cc1cc(NC[C@@H](O)c2ccc(F)cc2)nc(-c2cccnc2)n1 44978689 KMFFOTIEDJRLSU-MRXNPFEDSA-N 324.359 3.132 0 40 DGAB CC(C)NC(=O)c1ccc(NC(=O)NCc2cccs2)cc1 48104626 HNFTVRJQQSDWOX-UHFFFAOYSA-N 317.414 3.208 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)NCc1cccs1 48303223 VSEKOEZMYVEXPW-UHFFFAOYSA-N 302.399 3.419 0 40 DGAB Cc1ccccc1NC(=O)CSc1nnc(C)n1CC(C)C 48512808 WEICXOYUTWTETR-UHFFFAOYSA-N 318.446 3.282 0 40 DGAB C[C@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 49275885 YADXNSZRILNMRB-GXSJLCMTSA-N 301.745 3.002 0 40 DGAB CC(C)N1CCC(NC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)CC1 53371293 CADKUKCJWMQRJH-PBHICJAKSA-N 318.461 3.325 0 40 DGAB Cc1c(C(=O)N[C@H](C)CC[C@@H]2CCCO2)oc2c1C(=O)CCC2 58423974 RXKKOEVNNIXUFA-YPMHNXCESA-N 319.401 3.185 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)NCc2ccccc2)C1 65029189 LTRGJYQXCYMQIU-IYBDPMFKSA-N 317.477 3.242 0 40 DGAB Cc1cccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)c1 72227442 NNNOVXSMYRQRQM-LSDHHAIUSA-N 320.314 3.429 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 72298633 DCXQFXRREQGCIV-GFCCVEGCSA-N 305.403 3.076 0 40 DGAB OCCN1CCC[C@H](c2cccc(-c3ccccc3F)n2)C1 72357528 AHBWCGDEILKPAY-AWEZNQCLSA-N 300.377 3.059 0 40 DGAB CC(C)C[C@H](O)CNC(=O)Nc1ccccc1C(F)(F)F 75126279 JMVBCCDTYCDLBP-JTQLQIEISA-N 304.312 3.234 0 40 DGAB CC(C)c1cc(CNC(=O)N2CCS[C@H](C(C)C)C2)on1 76088120 RWPBNNBIRVWHTM-AWEZNQCLSA-N 311.451 3.081 0 40 DGAB Cc1cc(N[C@@H](C)Cc2c(C)noc2C)nc(-c2ccncc2)n1 77991101 HWJHWRCDLWUTOL-NSHDSACASA-N 323.400 3.495 0 40 DGAB CCCOc1ccc(CNC(=O)N(C)Cc2ccccc2)cn1 78564911 XGXGJANFTPCLLC-UHFFFAOYSA-N 313.401 3.212 0 40 DGAB CO[C@@H](CNC(=O)CCc1cccnc1)c1cccc(Cl)c1 81324545 TTXMGGLDOFEFLS-INIZCTEOSA-N 318.804 3.172 0 40 DGAB Cn1c(=O)n(C2CCN(c3ccccc3)CC2)c2ccccc21 82046666 NDMRYPIZSHKSMU-UHFFFAOYSA-N 307.397 3.182 0 40 DGAB CCOC(=O)c1cnn(-c2ccccc2C)c1Br 85395119 DNKGQDLNISFFMN-UHFFFAOYSA-N 309.163 3.120 0 40 DGAB O=C(C[C@H]1CCCN1C(=O)c1ccncc1F)c1ccccc1 85482828 IJEXKVSNEJYCEN-CQSZACIVSA-N 312.344 3.098 0 40 DGAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NCc1cc[nH]c1 86253436 XLHMQOPQWFODEK-LJQANCHMSA-N 319.408 3.354 0 40 DGAB COC(=O)c1csc(NC(=O)N2CCC[C@H]2C2CCC2)c1 89404435 NHWBKCDHJJSWDG-LBPRGKRZSA-N 308.403 3.331 0 40 DGAB O=C(O)c1c(F)c(Br)nc2ccc(Cl)cc12 90493631 LOEKVBPUHZFLJU-UHFFFAOYSA-N 304.502 3.488 0 40 DGAB C[C@H](N[C@H](C)c1cnn(Cc2ccccc2)c1)c1cnccn1 90853479 SJLGZPLCPCZNJC-CABCVRRESA-N 307.401 3.133 0 40 DGAB c1ccc2c(c1)CC[C@H]2NCc1ccnc(O[C@H]2CCOC2)c1 90954247 UZNNTYNTDBESKI-FUHWJXTLSA-N 310.397 3.026 0 40 DGAB C[C@@H](NC[C@@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 95423308 YUSBSWRTCZQGOW-BDJLRTHQSA-N 311.328 3.439 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NCc1cn2ccsc2n1 95948739 KHECHNOWDQETDZ-UHFFFAOYSA-N 310.382 3.116 0 40 DGAB COc1ccc(-c2nnc(SCC[C@@H]3CCCN3C)[nH]2)cc1 95975910 XIJGDDOODFCQJA-ZDUSSCGKSA-N 318.446 3.057 0 40 DGAB C[C@@H](N(C)C(=O)NCc1ccc(CN(C)C)c(F)c1)C1(C)CC1 95977772 JNDNLJBWLTWPMX-CYBMUJFWSA-N 321.440 3.217 0 40 DGAB O=C(CC[C@@H]1CCCO1)NCc1ccccc1OCC1CC1 96416768 WMINVSAKPHFGMD-INIZCTEOSA-N 303.402 3.051 0 40 DGAB CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1[C@@H]2CCO[C@@H]2C1(C)C 96418842 FSMVEDIJUIIGRV-BPUTZDHNSA-N 307.821 3.154 0 40 DGAB CC(=O)N(C)c1ccc(OC(=O)c2ccc3[nH]ccc3c2)cc1 96431549 QTPOIVHUHUWXFQ-UHFFFAOYSA-N 308.337 3.370 0 40 DGAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1ccsc1 96432013 AIINIUOXUSXTAE-UHFFFAOYSA-N 305.374 3.323 0 40 DGAB O=C(NCCc1nc(C(F)(F)F)cs1)c1ccsc1 96432850 AOTGWCRYNYJNQQ-UHFFFAOYSA-N 306.334 3.196 0 40 DGAB C[C@H](CO)[C@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F 96435492 XAJOBQQIAKTWBT-MNOVXSKESA-N 306.337 3.224 0 40 DGAB Cc1cnc(CNC(=O)NCc2cccc(OC(C)C)c2)s1 96439124 VNZUAOZLEKYOQW-UHFFFAOYSA-N 319.430 3.238 0 40 DGAB O=C1[C@@H](Sc2nc3ccc(Cl)cc3[nH]2)CCN1C1CC1 96452631 IKHHPYXUTVSECH-LBPRGKRZSA-N 307.806 3.072 0 40 DGAB Cc1cncc(C(=O)N2CC[C@@H](OCCCc3ccccc3)C2)c1 96456473 LEKWOQKTFLLKFR-LJQANCHMSA-N 324.424 3.254 0 40 DGAB OCC1CCN(c2ccc(NCc3cccc(F)c3)nc2)CC1 96482414 ZJYHDDNYEKRNLV-UHFFFAOYSA-N 315.392 3.042 0 40 DGAB Cc1ccccc1C1(CNC(=O)CC[S@](C)=O)CCCCC1 96486563 CDVIAGVABSQFQK-JOCHJYFZSA-N 321.486 3.082 0 40 DGAB COc1ccc(C)nc1NC(=O)NC(C)(C)c1nc(C)cs1 97143181 ZDTKXOMPORCJLH-UHFFFAOYSA-N 320.418 3.220 0 40 DGAB CC(C)c1nn(C)cc1CNC[C@H](O)c1ccc(Cl)cc1 97159040 KENDUAXKCVPNIW-HNNXBMFYSA-N 307.825 3.020 0 40 DGAB Clc1ccnc(Br)c1I 98181058 NFUWRKVQFCTVNF-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccc(O)cc1 100140919 KEOHZWWPDVPABT-YOEHRIQHSA-N 320.396 3.005 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c1C 101749704 VAKLKLKPGNNVLR-VZSXATARSA-N 311.381 3.011 0 40 DGAB COC(=O)c1c(C)cc(Br)cc1Br 143032906 BNNPLUGUVVSMIU-UHFFFAOYSA-N 307.969 3.307 0 40 DGAB O=C(NCC(F)F)Nc1cc(Br)c(F)cc1F 189092246 ZHSAVZUVLSARAQ-UHFFFAOYSA-N 315.064 3.114 0 40 DGAB CSC1(CNC(=O)Nc2cccc(C(F)(F)F)n2)CC1 193962777 XGVLFPWZIHOVSK-UHFFFAOYSA-N 305.325 3.118 0 40 DGAB Cc1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222813124 NOJMVJPXRMYDTB-GJZGRUSLSA-N 301.415 3.364 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccccc1Cl 224293115 QMYBAAJFQWHGRQ-UHFFFAOYSA-N 304.781 3.065 0 40 DGAB COc1cccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)c1 224703285 FZSZRPHZSSCUTG-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB Cc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1C 224896437 RZZCJIQYLCEZPV-UHFFFAOYSA-N 308.425 3.486 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2cccc(Cl)c2)c1 225122908 VEWMHLRGLPZOOS-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB CCOc1cccc(CNC(=S)Nc2ncccc2C)c1 225440947 ZJTJFBLNWZPPAJ-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB CCC(C)(C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225645488 NPOUXDSZAXZJHU-UHFFFAOYSA-N 305.447 3.288 0 40 DGAB O=C(NCC1CCN(c2cccnc2)CC1)Nc1ccccc1 225657291 WQPRKZJIBNRSRM-UHFFFAOYSA-N 310.401 3.120 0 40 DGAB CC(C)Oc1ccc(NC(=O)C2(C)COC(C)(C)OC2)cc1 225915238 BWIDYLRWAOAONV-UHFFFAOYSA-N 307.390 3.202 0 40 DGAB Cc1ccc(CNC(=O)c2cc3cc(C)ccc3oc2=O)cc1 226036143 QLXPUHNCULGHBD-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB c1ccc(-c2n[nH]cc2CN2CCC[C@H](c3ccncn3)C2)cc1 257239876 HRERDMDWGFNDGW-INIZCTEOSA-N 319.412 3.246 0 40 DGAB O=C(c1ccccc1)N1C[C@H]2CCC[C@H](Cc3cnccn3)[C@H]2C1 257274600 NLUOLWHAMKZJNG-ZHALLVOQSA-N 321.424 3.208 0 40 DGAB COc1ccc2ccccc2c1CN1CCOC[C@@H]1c1ccn[nH]1 257331879 XUQWLTDBSMQJIJ-GOSISDBHSA-N 323.396 3.145 0 40 DGAB CCC(CC)NC(=O)[C@@H]1CCc2[nH]nc(-c3ccccc3)c2C1 306129016 HRMZCZWSKJDNSO-CQSZACIVSA-N 311.429 3.486 0 40 DGAB Nc1nccnc1C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1 333734214 KKUVJJONLBXFPZ-INIZCTEOSA-N 322.412 3.206 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409245276 QDTCYRNOZAVCDC-FOWTUZBSSA-N 323.396 3.397 0 40 DGAB Cc1cc(O)nc(Sc2c(C)nn(-c3ccccc3)c2C)n1 524733298 FDRCNDQBGYOOJB-UHFFFAOYSA-N 312.398 3.444 0 40 DGAB O=C(NC[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl)c1cccnn1 529430286 UMLOXHXNVYLVSU-JOYOIKCWSA-N 322.195 3.317 0 40 DGAB CCc1ncc(S(=O)(=O)N2c3ccccc3CC2(C)C)s1 629353538 ZRORQIXFIPFUOR-UHFFFAOYSA-N 322.455 3.236 0 40 DGAB Cc1ccc(CCC(=O)NC[C@@H]2COc3ccccc32)cc1F 675007896 AEBSHDXGKSZFTA-OAHLLOKOSA-N 313.372 3.359 0 40 DGAB O=C(Nc1c[nH]nc1-c1ccccn1)c1ccc(C(F)F)nc1 1566350880 RYWYYJSSAPQZEK-UHFFFAOYSA-N 315.283 3.057 0 40 DGAB C[C@@H]1Cc2ccc(O)c3c2[C@H](C1)O[C@]31OCc2c(O)cccc21 1772591542 DUGITLZTNWBCLB-LARMWNDWSA-N 310.349 3.483 0 40 DGAB O[C@@H](CNc1ncc(F)cn1)c1ccc(-c2ccco2)s1 1889160444 GPGHIWAXYSXTBQ-JTQLQIEISA-N 305.334 3.083 0 40 DGAB Cc1nc2ccc(Cl)cn2c1C(=O)N[C@H](C)c1cccnc1 2037838333 DQJSLGJOIRLICW-SNVBAGLBSA-N 314.776 3.182 0 40 DGAB Nc1nnc(SCC(=O)c2cccc3ccccc23)s1 36097 DOEYSXSSRCHPNH-UHFFFAOYSA-N 301.396 3.249 0 40 DGAB COc1ccc(CNC(=O)CSCc2ccccc2F)cc1 260354 MNBOZWUFTFHTKE-UHFFFAOYSA-N 319.401 3.384 0 40 DGAB COc1ccc(NCc2cc3cc(C)ccc3[nH]c2=O)c(OC)c1 421307 LUOHQMSMSWYRTO-UHFFFAOYSA-N 324.380 3.466 0 40 DGAB O=C(Nc1ncnc2[nH]c(-c3ccccc3)nc12)c1ccccc1 1587279 HLXOHHUPSZKXMA-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB Cc1nc(N)nc(SCc2ccccc2)c1Br 1674944 AKIKDKSQRGVRHS-UHFFFAOYSA-N 310.220 3.422 0 40 DGAB Cc1ccccc1C(=O)Nc1ncn(Cc2ccccc2F)n1 2794704 BSPIDXKEHJIAFT-UHFFFAOYSA-N 310.332 3.026 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2CCCc3ccccc32)c1C 3328887 OHKXQORWRKCPDB-UHFFFAOYSA-N 323.392 3.440 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)s1 3384701 QJSHNLIPSPAPAW-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc2c(s1)-c1ccccc1OC2 5050289 KIKRTDBWAJUZNS-GFCCVEGCSA-N 315.394 3.216 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 5123498 VFBZHVBCOXFBAX-INIZCTEOSA-N 323.396 3.230 0 40 DGAB C[C@@H]1C/C(=N\NC(=O)[C@H]2COc3ccccc3O2)CC(C)(C)C1 5786160 ZAMPSNTUFPSGHD-XNONGASLSA-N 316.401 3.145 0 40 DGAB CCCN1C(=O)S/C(=C/c2cc(OC)cc(OC)c2)C1=O 6323907 KOIWZQCMIXXUJM-MDWZMJQESA-N 307.371 3.150 0 40 DGAB COc1ccc(NC(=O)c2cc(=O)c3cc(C)ccc3o2)cc1 6811203 YLIXGBIQTSSXFH-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2cccc(F)c2)c1 7216275 OBMCZMACGIRODF-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)NC2CCCCC2)c1 7560766 KKMMDZBKOCHZDA-UHFFFAOYSA-N 306.431 3.401 0 40 DGAB COc1cccc2cc(-c3nnc(NC(=O)C(C)C)o3)oc12 9167167 XQXZGPROSPJARL-UHFFFAOYSA-N 301.302 3.086 0 40 DGAB CC(C)C[C@@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 10959004 ZRJHPUYNZGSXHF-MRXNPFEDSA-N 308.385 3.475 0 40 DGAB COc1cccc(CN(Cc2ccco2)Cc2cncn2C)c1 12116756 CULKUOFHAQEVGJ-UHFFFAOYSA-N 311.385 3.224 0 40 DGAB COc1ccc(C(=O)OCc2cc(-c3ccccc3)no2)cn1 12819817 LHTKRZCQPJRDHD-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc(F)cc1 12825162 PLAJFZSNVYUNAU-AWEZNQCLSA-N 323.371 3.431 0 40 DGAB CC(C)(C)C1=N/C(=C\c2cnn(Cc3ccccc3)c2)C(=O)O1 12852569 BRIHIWZCLXCYHJ-DHDCSXOGSA-N 309.369 3.274 0 40 DGAB CC(=O)O[C@@H](C)CCc1ccc(CC[C@@H](C)OC(C)=O)cc1 13402714 KLOYZTASLWUIKP-OKILXGFUSA-N 306.402 3.455 0 40 DGAB biogenic CCc1cccc(NC(=O)CCN2C(=O)COc3ccccc32)c1 14170213 CGSCBSVZEXLAQP-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB Cc1cc(F)ccc1NS(=O)(=O)c1cc(F)cc(F)c1 16096315 ILWZHTFPLSTOPV-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)N1CCCCCC1 17031221 HUDUFLMCJZOISQ-OCVGTWLNSA-N 305.418 3.082 0 40 DGAB Cc1csc([C@H](Cc2ccsc2)NC(=O)[C@H]2CCCO2)n1 19240140 WQLMOCLWOUFZLK-QWHCGFSZSA-N 322.455 3.092 0 40 DGAB CC(C)CCNC(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C 19804285 BNOUQVLBWIOFGQ-ZDUSSCGKSA-N 300.443 3.088 0 40 DGAB CCc1nnc(NS(=O)(=O)c2ccc(C(C)C)cc2)s1 28248437 APCUBUHOWBHPHX-UHFFFAOYSA-N 311.432 3.025 0 40 DGAB O=C(NCCc1cc2ccccc2[nH]1)[C@H]1OCCc2ccccc21 28541775 HBHZMWIEGFNGQE-IBGZPJMESA-N 320.392 3.141 0 40 DGAB CCCC(=O)Nc1nc(-c2ccc(C)cc2)c(CC(=O)O)s1 31976111 KOJWHAGVBNYADW-UHFFFAOYSA-N 318.398 3.484 0 40 DGAB Cc1cccn2c(=O)cc(CN3CCSc4ccccc43)nc12 32510707 XHUKRPKQVOUBLU-UHFFFAOYSA-N 323.421 3.115 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1C[C@H](C)C[C@@H](C)C1 32648362 CXCIIOFKOZCDSR-CKYFFXLPSA-N 317.355 3.276 0 40 DGAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2)n1C1CC1 32741774 QIPOBJSBSNWKRL-UHFFFAOYSA-N 322.821 3.306 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc(C(C)=O)s2)cc1C 32753766 PBOGPTYSZZMHJQ-UHFFFAOYSA-N 316.382 3.470 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccncc1 32819984 PVDMPKDFVDSKOV-UHFFFAOYSA-N 324.211 3.459 0 40 DGAB CN(CN1C(=O)C(=O)c2ccccc21)[C@H]1CCCc2ccccc21 32899411 RYTKIRWAAXJKNI-KRWDZBQOSA-N 320.392 3.183 0 40 DGAB CC(=O)Nc1cccc(N2CCCn3c(nc4ccccc43)C2)c1 36359775 MZBYUGDUOJBRNA-UHFFFAOYSA-N 320.396 3.405 0 40 DGAB CC(=O)Nc1cccc(OC(=O)c2cc(-c3ccccc3)[nH]n2)c1 40057277 HAXVINNSFPSAJB-UHFFFAOYSA-N 321.336 3.254 0 40 DGAB COCCN(Cc1ccccc1)C(=O)c1ccc(F)cc1F 40160486 RRFNCWYXAPUBRV-UHFFFAOYSA-N 305.324 3.254 0 40 DGAB Cc1cc([C@@H](C)NC(=O)[C@@H](C)NC(=O)C(C)(C)C)c(C)s1 40510738 RCPXXPMCUIJHAA-GHMZBOCLSA-N 310.463 3.093 0 40 DGAB C[C@@H]1CCN(C(=O)CCN2CCSC2=O)c2ccccc21 40516488 YLKGQLBQQSHMDB-GFCCVEGCSA-N 304.415 3.086 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]1c1ccsc1 40534404 MANWVBSLVGVJDI-OAHLLOKOSA-N 303.431 3.005 0 40 DGAB CCc1noc([C@H](C)Sc2nc(-c3ccccc3)cn2N)n1 42650681 BLTQPMVNRICWDT-JTQLQIEISA-N 315.402 3.063 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc2c(c1)OCO2)c1cccs1 43291309 NGHOKESMMYOHEI-LLVKDONJSA-N 318.398 3.379 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)Nc1cccc(C(=O)N(C)C)c1 43992878 YGVLVOQPNDMXDI-WFASDCNBSA-N 303.406 3.089 0 40 DGAB O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(O)cc1 48234511 FPJFPGQYKPMKMD-UHFFFAOYSA-N 306.365 3.042 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)N[C@@H](C)c1ccc(Cl)s1 49153314 VGBRKNKNFFQFML-UWVGGRQHSA-N 312.826 3.047 0 40 DGAB COc1ccc(CNC[C@H](O)c2ccc(Cl)cc2)cc1OC 58247657 WVHDUJJUYMUGJJ-HNNXBMFYSA-N 321.804 3.180 0 40 DGAB CN(c1ccccc1)c1ccccc1NC(=O)c1cccc[n+]1[O-] 58395307 OSADSJSUNUWQOK-UHFFFAOYSA-N 319.364 3.340 0 40 DGAB O=C(Nc1nnc(C2CCC2)s1)c1csc(NC2CC2)n1 61719204 ZOGIHFWEULNIOZ-UHFFFAOYSA-N 321.431 3.089 0 40 DGAB CCc1c(C(=O)O)nnn1-c1ccc(Oc2ccccc2)cc1 62265838 LNXVTVOXEIUTNR-UHFFFAOYSA-N 309.325 3.320 0 40 DGAB CC(C)OCCC(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 65511826 XTGJQJLHJMCYNC-CYBMUJFWSA-N 301.390 3.069 0 40 DGAB c1ccc(-c2cccc(CN[C@H]3CCc4ncnn4C3)c2)cc1 69493261 PEUVUDCMUTZQIR-SFHVURJKSA-N 304.397 3.050 0 40 DGAB CO[C@H](C(=O)NCCc1csc(C(C)C)n1)c1ccccc1 69590230 PHLRMMJPHWKMCA-HNNXBMFYSA-N 318.442 3.313 0 40 DGAB COc1ccc(N(C)C(=O)C[C@H](C)n2cccc2)cc1OC 69703321 SJEJWXNOTCXEOI-ZDUSSCGKSA-N 302.374 3.119 0 40 DGAB C[C@H](Nc1cccc(NC(=O)CO)c1)c1ccccc1Cl 71902721 QDDVIXLSIKNHNL-NSHDSACASA-N 304.777 3.444 0 40 DGAB Cc1noc(C)c1NC(=O)[C@H](C)Oc1ccc(F)cc1Cl 71903514 DVYACFKLTAHWCX-VIFPVBQESA-N 312.728 3.490 0 40 DGAB CN(C(=O)c1cc(F)cc(Br)c1)c1ccccn1 71914725 IBXLIQVHOMHDDH-UHFFFAOYSA-N 309.138 3.260 0 40 DGAB CNc1ncc(C(=O)CCCCNC(=O)OC(C)(C)C)cc1C 72219020 HFLAESJZXVPPIV-UHFFFAOYSA-N 321.421 3.309 0 40 DGAB CCC(=O)N1CCC[C@H]1c1nccnc1Nc1nc(C)cs1 72384756 HIVJIQPIGOQKCO-NSHDSACASA-N 317.418 3.059 0 40 DGAB COc1ccc(C(N)=O)cc1COc1ccc(Cl)c(C)c1 73292947 XNBFGFLZZUGNGC-UHFFFAOYSA-N 305.761 3.335 0 40 DGAB C[C@@H](Nc1ccncc1NC(=O)c1ccsc1)[C@H]1CCCO1 75141632 BAFWQDYIKFDVEC-IAQYHMDHSA-N 317.414 3.375 0 40 DGAB C[C@@](O)(CNC(=O)c1ccc(Cl)c(Cl)c1)c1ccco1 75156231 YAMGDYMWMOJTGC-CQSZACIVSA-N 314.168 3.224 0 40 DGAB CCOc1ccccc1CNC(=O)NCc1cc(C(C)C)no1 75612523 FAVNQDTZHFHQIG-UHFFFAOYSA-N 317.389 3.196 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n[nH]1 76059796 PDTQMVMLNIESSG-CYBMUJFWSA-N 303.431 3.118 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1ccc2c(c1)COCO2 76093145 KPKVBKVNBJZMSA-UHFFFAOYSA-N 309.243 3.223 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)O[C@H]1CCSc2ccccc21 78442685 VZAHCDAQVZLKRO-YDHLFZDLSA-N 322.426 3.351 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1C(=O)NCc1cccs1 78868961 CWHJOJLSDQLVGR-STQMWFEESA-N 324.446 3.058 0 40 DGAB C[C@@H](O)C[C@@H](CNC(=O)c1cc(F)cc(F)c1)c1ccccc1 79104847 VVMFUTWHXLGZJY-DOMZBBRYSA-N 319.351 3.249 0 40 DGAB CSC[C@@H](C)C(=O)Nc1ccc(Cl)c(C[S@](C)=O)c1 79361016 AZHJCILEERRLGW-AYLIAGHASA-N 319.879 3.156 0 40 DGAB C[C@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc(O)cc1 85228890 LILSAPMVLPVKNQ-SNVBAGLBSA-N 309.387 3.213 0 40 DGAB CCOCCC1CCN(C(=O)Cc2ccc(F)cc2F)CC1 87365704 SAMRBGQCNASGTJ-UHFFFAOYSA-N 311.372 3.173 0 40 DGAB COc1ccc([C@@H]2CCCN2c2nc(C3CC3)no2)c(OC)c1 89434798 HDMIYCYKTPCJEG-AWEZNQCLSA-N 315.373 3.306 0 40 DGAB C[C@H](NC(=O)Cc1ccon1)c1ccc(OCC2CC2)c(F)c1 89904704 GRJXPXWUJVJNSH-NSHDSACASA-N 318.348 3.022 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95434174 WMGWEIILEGEWIQ-GOEBONIOSA-N 316.401 3.425 0 40 DGAB C[C@@]1(F)CCN(C(=O)Cc2csc(-c3ccccc3)n2)C1 95452182 XLEDOFAUDOZECS-MRXNPFEDSA-N 304.390 3.313 0 40 DGAB Cn1c(C(=O)N(c2ccccc2)C2CCCCC2)cccc1=O 95456082 UHVVSLRNQHFNMF-UHFFFAOYSA-N 310.397 3.365 0 40 DGAB COC[C@@H](C)n1cc(C(=O)Nc2cc(Cl)ccc2O)c(C)n1 96002460 KYBBZRYNNNUHEH-SECBINFHSA-N 323.780 3.010 0 40 DGAB O=C(CCn1ncc2ccc(Cl)cc21)NCc1ccccc1 96182002 PFRBVSZBGJYABF-UHFFFAOYSA-N 313.788 3.396 0 40 DGAB c1cncc(CN2CCN(Cc3ccco3)Cc3cccnc32)c1 96198940 SYKUNDAKCWZQLJ-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB O=C(CC1=CCCCC1)N1CC[C@]2(C[C@H](OCC3CC3)CO2)C1 96207971 CTNNPSBJJDQJLW-HKUYNNGSSA-N 319.445 3.064 0 40 DGAB O=[S@@](CCc1ccccc1)Cc1cc(F)cc2c1OCOC2 96404557 IBMYQJLQYWZLTI-JOCHJYFZSA-N 320.385 3.184 0 40 DGAB C[C@H](NCc1ccncc1Cl)c1ccc(-n2cncn2)cc1 96490796 CHCLHQMKKFWMSA-LBPRGKRZSA-N 313.792 3.167 0 40 DGAB CC(C)OCc1cccc(CNc2ncnc3nc(N)ccc23)c1 97022369 LURMOSKPPBSTAO-UHFFFAOYSA-N 323.400 3.144 0 40 DGAB OC1(C(F)(F)F)CCN(Cc2cnc(C3CCC3)s2)CC1 97095410 IRMWTKSTAAEUTQ-UHFFFAOYSA-N 320.380 3.300 0 40 DGAB Cc1cccc(NC(=O)N2CCOC[C@@H]2C)c1Br 97162606 YUJIJONNJZDRKW-JTQLQIEISA-N 313.195 3.010 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c1 101275326 JULJVVAMSDINOB-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CC(=O)N1CC[C@@H](CN(C)C[C@@H](C)c2cccc(Cl)c2)C1 187478648 FOVIPNKDCMSRFL-HIFRSBDPSA-N 308.853 3.244 0 40 DGAB COc1ccc(CCC(=O)NCc2ccc(F)cc2)cc1C 224192633 ZMLKURUPUKAFOG-UHFFFAOYSA-N 301.361 3.392 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1C 224633520 RLMLYXPEIGJPDW-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCC(=O)N1CCC[C@]1(C)c1nc(C)cc(C(F)(F)F)n1 257228382 FTPKVLRBOQVGCQ-CYBMUJFWSA-N 301.312 3.051 0 40 DGAB Cc1nccc([C@@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257340163 ZEVKWBUAFNNLKS-OAHLLOKOSA-N 321.428 3.051 0 40 DGAB COc1cc(CN2CCC[C@@H](c3nc(C)cn3C)C2)ccc1F 257342114 ZNDHMWHZNDKFOD-OAHLLOKOSA-N 317.408 3.256 0 40 DGAB CC[C@H](C)OCc1c(I)cnn1C(C)C 408716453 NFPAQOYHUKOVAU-VIFPVBQESA-N 322.190 3.384 0 40 DGAB C/C=C1/CN2CC[C@]3(c4ccccc4N)c4oncc4[C@H]1C[C@H]23 524731075 JKZVPBBODBGMJC-UQZDHWHBSA-N 307.397 3.064 0 40 DGAB biogenic Cc1ccc2oc(C(=O)NC3(CC(=O)O)CCCCC3)cc2n1 531743367 BJLHRCHNMMOGGJ-UHFFFAOYSA-N 316.357 3.044 0 40 DGAB C[C@@H](C1CC1)n1cc(NC(=O)N2CCC(F)(F)[C@H](C)C2)cn1 685543168 FVOMOVPSZSGNKR-MNOVXSKESA-N 312.364 3.363 0 40 DGAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2cc(F)ccc2Cl)C1 1548952975 RZXKFCXYQRVDBG-TZMCWYRMSA-N 309.772 3.164 0 40 DGAB Cn1cnc(-c2ccc(Br)cc2C(F)(F)F)n1 2362801897 WMIISIGYRJRSNA-UHFFFAOYSA-N 306.085 3.263 0 40 DGAB O=c1c2ccccc2nnn1CSc1ccc(Cl)cc1 67670 BIBARGUEMKDKRV-UHFFFAOYSA-N 303.774 3.195 0 40 DGAB CCc1ccc(OCC(=O)Nc2nonc2-c2ccccc2)cc1 8868542 WODDDTIUJRZCON-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB CCO[C@H]1C[C@@H](N(C)Cc2nnc(CC)o2)C12CCCCC2 76040614 PYFJRJQTNFLOES-KGLIPLIRSA-N 307.438 3.192 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc(OC(F)(F)F)cc2)o1 78899681 GVQNDSKCSZEZTE-UHFFFAOYSA-N 300.236 3.442 0 40 DGAB Cc1ccnc(N2C(=O)c3ccccc3[C@]2(O)c2ccccc2)c1 2046727 FURIZLZJPQOSPM-HXUWFJFHSA-N 316.360 3.244 0 40 DGAB Cc1cccc(NC(=O)CCC(=O)NCCc2ccccc2)c1C 3132053 HXGMCSJLDDFWJW-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB C[C@@]12CCC[C@@H]1[C@H]1CC(=O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@@H]1CC2 4104933 OWZBXHMGYRJJON-ANVSDVBCSA-N 306.446 3.074 0 40 DGAB biogenic,in-vitro CC(C)NC[C@@H](O)COc1ccccc1[C@@H]1C[C@@H]2CC[C@H]1C2 4212179 NACJSVRGPPMZRS-KYHPRHEASA-N 303.446 3.328 0 40 DGAB in-man COCC(=O)Nc1nc(-c2c(C)[nH]c3ccccc23)cs1 22845343 VGIKKTAORBSQBG-UHFFFAOYSA-N 301.371 3.185 0 40 DGAB C/C(=C\C(=O)N1CCC(O)CC1)c1cccc(C(F)(F)F)c1 104209343 WYCYLNZJVVHTMJ-PKNBQFBNSA-N 313.319 3.092 0 40 DGAB CCOc1ccc2c(c1)CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H](O)[C@@H](O)C[C@H]12 6657159 ZEQNGLSQEXECAG-CFSBILQPSA-N 316.441 3.273 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cc(C)ccn1 12538884 XXTSAUQNLPHZDB-KRWDZBQOSA-N 321.380 3.293 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2[C@@H](C)c2nc(C3CC3)no2)c1 72253314 SAONDQLQHXDCQR-ZFWWWQNUSA-N 315.421 3.068 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)c(C)n1C(C)C 72282808 GYJLQXRNRVYSLK-HNNXBMFYSA-N 314.433 3.429 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)NCc1ccco1 72404687 FXCUVYNJUSDGSJ-UHFFFAOYSA-N 315.760 3.264 0 40 DGAB CN(C)C1(CNC(=O)COc2ccccc2Cl)CCCCC1 27579786 FGHSFWSSSPTHPM-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)n1 58150523 QKBVTXJVDKSDPZ-CQSZACIVSA-N 301.415 3.009 0 40 DGAB O=C(Cc1cnn(-c2ccccc2)c1)N1CCc2sccc2C1 44896322 BQDVMDIASKAMMU-UHFFFAOYSA-N 323.421 3.061 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N(C)Cc2ccsc2)cc1 12614963 SBFKVTCQRRYDEI-VMPITWQZSA-N 315.394 3.207 0 40 DGAB COc1ccc2cc(CNC(=O)NCc3ccccn3)ccc2c1 10262940 DXHVIOIWMMSZOH-UHFFFAOYSA-N 321.380 3.243 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)CC2CCCC2)cc1 58294175 UQLUZYRENXSLKN-FMIVXFBMSA-N 300.402 3.307 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)C1CCCC1 58210303 AWGFYXFMWOTZDZ-CYBMUJFWSA-N 301.308 3.045 0 40 DGAB CCn1nc(C)c(Nc2nc(C)nc3c(C)nn(CC)c23)c1C 57312556 KPBYTEPVUSMPMG-UHFFFAOYSA-N 313.409 3.040 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)C1(c2cccs2)CCCCC1 110680804 VKMNQRGCXRUHTL-HZSPNIEDSA-N 305.443 3.386 0 40 DGAB Cn1ccs/c1=N\C(=O)c1cc(-c2cccc(Cl)c2)on1 48248208 RRAOJBWPSCTLDW-PEZBUJJGSA-N 319.773 3.136 0 40 DGAB CN(Cc1nc2ccccc2s1)C(=O)c1cccnc1S 48234927 DAXQTQKJERHGKJ-UHFFFAOYSA-N 315.423 3.252 0 40 DGAB CCOCCOc1cccc(NC(=O)c2ccc(OC)cc2)c1 10325215 IJSDPXIJHVXPRI-UHFFFAOYSA-N 315.369 3.363 0 40 DGAB CC(=O)Nc1ccc(Cl)c(-c2nnc3n2CCCCC3)c1 58638099 QNJIACDYEMXOLA-UHFFFAOYSA-N 304.781 3.283 0 40 DGAB Cc1cccc(CN2CC[C@@H]3OCCC[C@@]3(COC(C)C)C2)n1 107712816 ZBZVUIRSKQEMEE-OALUTQOASA-N 318.461 3.186 0 40 DGAB O=C(CC[C@@H]1COc2ccccc2O1)Nc1ccc(Cl)nc1 28541797 XNKOJKQULCTCKF-GFCCVEGCSA-N 318.760 3.294 0 40 DGAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1F 101276434 VLUQINKMOLUBPD-ZDUSSCGKSA-N 318.735 3.223 0 40 DGAB O=C(C1CCCC1)N1CCN(Cc2cccc3cccnc23)CC1 29662661 AOVUTIOMEFLOMD-UHFFFAOYSA-N 323.440 3.069 0 40 DGAB Cn1cccc1[C@H]1CCCN1S(=O)(=O)c1ccccc1Cl 12820510 WEYUEGHFHNMSGH-CQSZACIVSA-N 324.833 3.204 0 40 DGAB CC(C)(C)NC(=O)C1CCN(C(=O)c2ccccc2Cl)CC1 12859953 VGBUVIDDONYNAK-UHFFFAOYSA-N 322.836 3.107 0 40 DGAB CC(=O)c1ccc(NCCC(=O)c2ccc3c(c2)OCO3)cc1 9192485 AYMSBOAANWWDEN-UHFFFAOYSA-N 311.337 3.303 0 40 DGAB O=C(c1cscn1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 65487523 QGDYCSKFPUTFRY-CQSZACIVSA-N 320.389 3.104 0 40 DGAB C[C@@H]1c2cc3c(cc2CCN1C(=O)c1ccco1)OCCCO3 5389243 UCTGYAKJQLGWPC-GFCCVEGCSA-N 313.353 3.200 0 40 DGAB O=C(Nc1nccs1)c1cccnc1SCC(F)(F)F 22522570 ADYCMVXJIIBHIS-UHFFFAOYSA-N 319.333 3.445 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1nc(C2CC2)n(-c2ccccc2)n1 65603904 KRBAEUTWDUVTER-CYBMUJFWSA-N 310.401 3.159 0 40 DGAB CC(C)CCC(=O)N[C@H]1CCCc2cn(CC(F)(F)F)nc21 96002963 YSOULVDQKZJUBA-LBPRGKRZSA-N 317.355 3.375 0 40 DGAB COc1ccccc1CCC(=O)Nc1nnc(CC(C)C)s1 14380187 UIXUVXCZYANFMT-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB O[C@H](CNc1ncnc2sc3c(c12)CCC3)c1ccccc1 6625826 YSTWIJMPOVEXOL-CYBMUJFWSA-N 311.410 3.326 0 40 DGAB CCc1cc2c(=O)n(Cc3cccnc3)c(=S)[nH]c2s1 6621407 HDPFTQMZSANWBX-UHFFFAOYSA-N 303.412 3.126 0 40 DGAB C/C=C/C(=O)OCc1nnc(-c2ccccc2Br)o1 6998628 QLOUIGZDUDEILG-GORDUTHDSA-N 323.146 3.118 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccnc2)cc1C(C)(C)C 4970456 WWQHVTNGEUBVTH-UHFFFAOYSA-N 320.414 3.189 0 40 DGAB C[C@@H]1CCN(C(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C 97165523 UHVBEMYTDZSHMM-ILXRZTDVSA-N 324.465 3.138 0 40 DGAB O=C(Nc1ccncc1)C1(c2ccccc2Cl)CCOCC1 69743374 KXOIFXRJTPVQFL-UHFFFAOYSA-N 316.788 3.422 0 40 DGAB O=C(CCOCC(F)(F)F)Nc1cc(F)c(F)cc1F 69900101 OPJLZKXVBXDNJR-UHFFFAOYSA-N 301.186 3.011 0 40 DGAB COc1ccccc1N(C)CC(=O)NC1CCCCCCC1 83857547 AHRXVOXXIMFURE-UHFFFAOYSA-N 304.434 3.361 0 40 DGAB Cc1nnc(-c2cccc(C(=O)OCC3CCSCC3)c2)o1 97015301 MOWMTGNGLZSKKV-UHFFFAOYSA-N 318.398 3.345 0 40 DGAB C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cccc2cn[nH]c12 95448871 PARWPPNKMDJBLT-YVEFUNNKSA-N 313.376 3.304 0 40 DGAB COC(=O)c1ccc(N2CCC[C@@H](c3nccs3)C2)nc1C 95994694 PTADTCLTCYDYSJ-GFCCVEGCSA-N 317.414 3.017 0 40 DGAB CNc1snc(C)c1C(=O)OCc1cccc(C(C)=O)c1 95942899 MCTCIXLTNUVFHM-UHFFFAOYSA-N 304.371 3.053 0 40 DGAB O=C(Nc1nnc(/C=C/c2ccco2)s1)c1cscn1 95979044 CJOZJLNAWQYBEH-ONEGZZNKSA-N 304.356 3.010 0 40 DGAB CCc1noc([C@@H](C)Nc2ccc3oc(N(C)C)nc3c2)n1 89290044 VNCXXKMJEVKWFD-SECBINFHSA-N 301.350 3.012 0 40 DGAB CC(C)c1ccc(OCCCC(=O)Nc2nncs2)cc1 28232742 XXWJZIVALYPJNI-UHFFFAOYSA-N 305.403 3.459 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)Nc3ccnc(C)c3)n2)cc1 9367695 BLOBLCTUFVCCHL-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB O=C(CSc1ncnc2ccsc12)c1ccc(O)cc1O 9385199 DUHGHIWTVWNRSM-UHFFFAOYSA-N 318.379 3.078 0 40 DGAB COc1cccc(CNC(=S)c2ccc(OC)c(OC)c2)c1 408578383 XWBHCMIIBGATQV-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB O=C(/C=C/c1cnc(-c2ccccc2)nc1)NCc1ccco1 33598669 HCPXSSQJSMVUPX-CMDGGOBGSA-N 305.337 3.066 0 40 DGAB O=C(CCc1ccccc1Cl)NCCCN1CCCCC1 39985002 ZJIOMCUAHPYJGM-UHFFFAOYSA-N 308.853 3.265 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H](C)C2)CC1 1054792140 FUHDARDIFUFHMK-LUKYLMHMSA-N 322.493 3.262 0 40 DGAB C[C@@H](c1cccnc1)N1CCN(C(=O)/C=C/c2ccccc2)CC1 79353576 VAANVLQUAVEBLF-FVNWOWOISA-N 321.424 3.000 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@@H](N)C1 71790654 SHDNLRJVAIEXBN-FZMZJTMJSA-N 312.360 3.017 0 40 DGAB C1=C(CN2CCC[C@H](c3cnccn3)C2)COc2ccccc21 72369386 SCVWAXSAXCTDRJ-KRWDZBQOSA-N 307.397 3.132 0 40 DGAB Cc1cc(C)nc(Nc2cncc([C@H]3CCCN3C(C)C)n2)n1 72376224 PXPTVGQDISUUTP-OAHLLOKOSA-N 312.421 3.172 0 40 DGAB COC(=O)c1ccc(CNc2cccc(Br)c2)o1 34993963 VHGVAZCIOXZFFW-UHFFFAOYSA-N 310.147 3.441 0 40 DGAB O=C1C[C@@H](Nc2ccccc2F)C(=O)N1c1ccc(Cl)cc1 36635807 BKUHVAKAIVFITM-CQSZACIVSA-N 318.735 3.223 0 40 DGAB c1ccc2[nH]c([C@@H]3CCCN(CCc4ccncc4)C3)nc2c1 78922733 BJQLAEUEYAUEHE-MRXNPFEDSA-N 306.413 3.380 0 40 DGAB Cc1nc(C(C)(C)NCc2nnc(-c3ccco3)o2)sc1C 72866663 BRCFGYROWKHFAZ-UHFFFAOYSA-N 318.402 3.428 0 40 DGAB CN(Cc1nnc2ccccn12)c1ccnc2cc(F)ccc12 79096729 LNCFCEIJGSNTCA-UHFFFAOYSA-N 307.332 3.053 0 40 DGAB CCOc1cccc(CNC(=O)CCc2ccc(F)cc2)c1 48376380 XCBMYPCLMKLRKV-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB CC[C@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 41184968 GEUBIBWAGFHAPK-JTQLQIEISA-N 307.781 3.237 0 40 DGAB COC1(CNC(=O)c2ccc(Cl)s2)Cc2ccccc2C1 225719108 FKSTWOOXEUMWCQ-UHFFFAOYSA-N 321.829 3.315 0 40 DGAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOCC)nc1 225903587 SFINAXBIZLKKED-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB COc1ccc(NC(=S)N[C@H]2CCCc3ccccc32)cn1 225463002 HVQSBNQHCZJPOL-HNNXBMFYSA-N 313.426 3.454 0 40 DGAB CC1CCN(c2ccc(NC(=S)NC(C)(C)C)cn2)CC1 223882309 UMFFGLOKKLGFOO-UHFFFAOYSA-N 306.479 3.403 0 40 DGAB CCS(=O)(=O)[C@H](C)[C@H](N)c1ccc(-c2ccccc2)cc1 96524820 ONHRJNJEAOITIJ-DYVFJYSZSA-N 303.427 3.177 0 40 DGAB COc1ccc(CN(C(=O)c2cccnc2)c2ccncc2)cc1 96425294 KMXCOGTYJKEWQP-UHFFFAOYSA-N 319.364 3.332 0 40 DGAB COC(=O)N(C)Cc1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 96409523 GVUDTWDSLLFIJT-UHFFFAOYSA-N 321.764 3.119 0 40 DGAB Cn1ccc2ccc(C(=O)N[C@@H]3COC4(CCCCC4)C3)cc21 95511918 SWYSOQYZECARKV-INIZCTEOSA-N 312.413 3.400 0 40 DGAB CN(C)C1(c2nc(-c3ccc(Oc4ccccc4)nc3)no2)CC1 585133470 IYNCDZKWMZIRLZ-UHFFFAOYSA-N 322.368 3.475 0 40 DGAB Cc1ccc(-c2nc(C(=O)N=S3(=O)CCCC3)cs2)o1 585137251 OUJPYFWKPKWKIN-UHFFFAOYSA-N 310.400 3.114 0 40 DGAB Cn1ccc2ccnc(CC3CN(C(=O)C4CCCCC4)C3)c21 257328946 XHSLOJBLBMLSBS-UHFFFAOYSA-N 311.429 3.155 0 40 DGAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2ccc(Cl)cc2)C1 257273161 NFMZMKVCNGIHII-AWEZNQCLSA-N 317.820 3.320 0 40 DGAB Cc1ncsc1-c1cncc(C2CCN(C(C)C)CC2)n1 257272693 NDKZTHHKYVEUFK-UHFFFAOYSA-N 302.447 3.496 0 40 DGAB O=C(/C=C/c1ccoc1)NCC1(c2cccs2)CCOCC1 96120243 BSLAOCOMYABONO-ONEGZZNKSA-N 317.410 3.219 0 40 DGAB O=C(c1ccsc1)N1CC[C@H](Oc2ccncc2Cl)C1 575604899 DHIDRGWBQFAOKU-NSHDSACASA-N 308.790 3.090 0 40 DGAB CCOCC[C@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 585105266 RSDAQPBDMZXKTP-INIZCTEOSA-N 307.434 3.386 0 40 DGAB CCCCN(CC)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 47063053 GDVKYEBOSZFNBR-UHFFFAOYSA-N 305.403 3.260 0 40 DGAB CNC(=O)c1sc(NC(=O)c2ccccc2Cl)cc1C 48190494 TUZFDZGEVDXDJT-UHFFFAOYSA-N 308.790 3.322 0 40 DGAB CN(C)CCn1ccc(N[C@H]2CCSc3ccc(F)cc32)n1 95423933 SQWKXFDDFDWUJG-AWEZNQCLSA-N 320.437 3.233 0 40 DGAB FC(F)(F)C1CCN(c2ncc(Br)cn2)CC1 88437483 ALPUZZGIUUCHRW-UHFFFAOYSA-N 310.117 3.018 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(CC)cc2)[C@H](CC)C1 89284873 OTSJTBKSSPNTIM-QZTJIDSGSA-N 302.462 3.376 0 40 DGAB CC(C)n1nccc1-c1nnc(NC(=O)C2CCCCC2)o1 38871507 VHZKETZHERUVNX-UHFFFAOYSA-N 303.366 3.033 0 40 DGAB CCCCN(c1ccccc1)S(=O)(=O)c1cccc(N)c1 81580425 KMSIIBRLHMKCQR-UHFFFAOYSA-N 304.415 3.264 0 40 DGAB in-vitro CCC(C)(C)N[C@H](C)C(=O)Nc1ccc(C)c(NC(C)=O)c1 96012323 FGLLVZOVKOYANI-GFCCVEGCSA-N 305.422 3.059 0 40 DGAB CN(C(=O)C[S@@](=O)Cc1ccc(Cl)cc1)c1ccccc1 5208496 FHESFVLHLOHSSZ-OAQYLSRUSA-N 321.829 3.252 0 40 DGAB O=C(NCCc1ccccc1F)c1ccc2ncsc2c1 18826144 YZXCFMAMUYKRMU-UHFFFAOYSA-N 300.358 3.408 0 40 DGAB COc1ccc(SCC(=O)N2CCC[C@H](C)C2)cc1OC 19931667 FUCXIKSAGJIMGG-LBPRGKRZSA-N 309.431 3.054 0 40 DGAB O=C1N[C@@]2(CCc3ccccc31)CCN(Cc1ccc(F)cc1)C2 19375236 WSFRYDFUTFIMRU-FQEVSTJZSA-N 324.399 3.146 0 40 DGAB Cc1c(C(=O)NCCc2cn3ccccc3n2)oc2ccccc12 22832671 RCZXKAUHPDKAGV-UHFFFAOYSA-N 319.364 3.361 0 40 DGAB O=C1Nc2ccccc2/C1=C1\SC(=O)N(c2ccccc2)C1=O 2291541 CVCVLMDWZZIYQO-BUHFOSPRSA-N 322.345 3.250 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3ncc(Cl)cn3)C2)n1 1888844453 IFEIUWLZOMUOSZ-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(c3cc(C4CC4)ncn3)C2)n1 1888849713 RIVUEMTXXCOYCA-OAHLLOKOSA-N 324.428 3.353 0 40 DGAB CCOc1ccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)cc1 5389016 MQVMRKTYJMXUFA-UHFFFAOYSA-N 324.355 3.496 0 40 DGAB CC(C)c1ccc(CC(=O)Nc2nnc(-c3ccno3)o2)cc1 12234639 TYSPIBAOWVPXKE-UHFFFAOYSA-N 312.329 3.029 0 40 DGAB O=C(Cc1ccc2ccccc2c1)Nc1nnc(-c2ccno2)o1 12234678 JQKPIRBLQNLBJS-UHFFFAOYSA-N 320.308 3.059 0 40 DGAB O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1ccccn1 101167558 JLDTWFLHZWCMTN-UHFFFAOYSA-N 309.350 3.249 0 40 DGAB Cc1cccc(N2CCN(c3nsc4ccccc34)CC2)n1 2086889388 RCNOYKZVLQBWEJ-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB COC(=O)C(C)(C)NC(=O)c1ccc(-c2ccccc2)cc1F 40133197 BRDBGHQKVWPCSE-UHFFFAOYSA-N 315.344 3.174 0 40 DGAB C[C@H](NC(=O)NCCNc1ccccn1)c1ccc(Cl)s1 40119145 VAAKTFJAIRLMQQ-JTQLQIEISA-N 324.837 3.269 0 40 DGAB CC[C@H](C)OC(=O)C1=C(C)N[C@]2(C)C[C@H]1c1ccccc1O2 20375198 ZFGFDHPEVCPSTI-MIUNTBIASA-N 301.386 3.488 0 40 DGAB COc1cc2nnc3c(c(C)nn3-c3ccccc3)c2cc1OC 271646 NAKVYUZHPZOSLZ-UHFFFAOYSA-N 320.352 3.294 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)/C=C/c2cccs2)c1 32361911 WFNFTEKNQJCIHU-BQYQJAHWSA-N 300.383 3.036 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc3oc(=O)ccc3c2)c1C 578714 UMCCTVQMAWLKCQ-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB Cc1cc(NC(=O)C(C)C)ncc1NC(=O)c1ccccc1F 1358413 KUECUKGUVKUHBX-UHFFFAOYSA-N 315.348 3.376 0 40 DGAB CCSc1ncc(-c2cc(C(=O)O)c3ccccc3n2)n1C 1405842 YIBCPWMUENCDIY-UHFFFAOYSA-N 313.382 3.446 0 40 DGAB COc1ccc(NC(=O)CCOc2ccccc2C)cc1OC 2628006 JVUVEBOETVDGKC-UHFFFAOYSA-N 315.369 3.420 0 40 DGAB CCOC(=O)[C@@H](Oc1ccc2ccc(=O)oc2c1)c1ccccc1 3201387 BLWHGJLXBJKRNY-SFHVURJKSA-N 324.332 3.476 0 40 DGAB COc1cc(NCC[C@@H]2CCCCN2)c2ncccc2c1OC 4366576 LZODSECXHSCNMZ-ZDUSSCGKSA-N 315.417 3.196 0 40 DGAB Fc1ccccc1N1CCN(C(=S)c2ccccc2)CC1 4675432 ITYCTXLFVRCCGP-UHFFFAOYSA-N 300.402 3.323 0 40 DGAB CC[C@H](C)[C@H](CC)C(=O)NC(=O)NC(=O)[C@@H](CC)[C@H](C)CC 4705918 MIVQLJVKKVNMRL-CRWXNKLISA-N 312.454 3.483 0 40 DGAB Cc1ccc(CNCC(=O)Nc2ccc(N3CCCC3)cc2)cc1 4896120 AUPGFMHHVUWNJE-UHFFFAOYSA-N 323.440 3.324 0 40 DGAB Cc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)n(C)c1ccccc21 4944162 NXNVKCUBDQQQHJ-HNNXBMFYSA-N 319.360 3.288 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)c3cccc(F)c3)ccc21 5373611 SYAQHFDCXVVLCQ-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB Cc1ccc(OCc2nn3c(-c4cccnc4)nnc3s2)cc1 5518350 OWWXBABGBZXEHJ-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB Fc1ccccc1OCCSc1nnc(-c2ccncc2)o1 6626267 ADGVXYDMCWCELU-UHFFFAOYSA-N 317.345 3.442 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccco1)c1cccc2ccccc12 6640071 NBJCEJFMSLIDSR-INIZCTEOSA-N 323.348 3.467 0 40 DGAB COc1cccc(NC(=O)CN2CCc3sccc3[C@@H]2C)c1 7878267 DPMYVPMXZGWADS-LBPRGKRZSA-N 316.426 3.315 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cc1)[C@H]1COc2ccccc2O1 7951467 UTPFXANSRJFLQZ-GOSISDBHSA-N 324.380 3.065 0 40 DGAB CCOc1ccc2ccccc2c1CNn1cn[nH]c1=S 8325160 ZIIXLQCVBUDVIY-UHFFFAOYSA-N 300.387 3.236 0 40 DGAB O=C(CSc1ccc2ccccc2c1)Nc1nncs1 8333468 ZWMFICLHTAYZJB-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB Cc1ccc(F)cc1NC(=O)CN(C)Cc1ccccc1F 8921279 GBBLPROQNFYEDC-UHFFFAOYSA-N 304.340 3.344 0 40 DGAB CCC[C@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 10127871 FDWUIMRRLWYAQP-ZKQHCESOSA-N 307.390 3.030 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2cccc(Cl)c2)cc1 10730727 YNFKQPZVDSBGKS-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)N1c2ccccc2C[C@H]1C 11614181 FTYLZIMKRHBYHX-CYBMUJFWSA-N 317.410 3.144 0 40 DGAB Cc1nc[nH]c1CN(Cc1cccc(F)c1)C[C@H]1CCCO1 12116779 FWXVVKFWDQZJNG-MRXNPFEDSA-N 303.381 3.038 0 40 DGAB CCc1c(C(=O)NCCC[C@H]2CCOC2)[nH]c2ccc(F)cc12 12204046 NQRIUABHEAJHAC-LBPRGKRZSA-N 318.392 3.416 0 40 DGAB O=c1[nH]c(CN2CCc3ccccc32)nc2ccc(Cl)cc12 12538593 VMYSOOFPAFHQKO-UHFFFAOYSA-N 311.772 3.139 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](C)Sc2nccn2C2CC2)cc1 12647076 PYWZOIFSCKPYSN-CYBMUJFWSA-N 315.442 3.323 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@@H]1COc2ccccc2C1 12917385 KCRROYXXVFXONG-LBPRGKRZSA-N 310.378 3.486 0 40 DGAB CCc1nnsc1C(=O)NCc1ccc(C(F)(F)F)cc1 12921304 GQUCOOFKYMRKJD-UHFFFAOYSA-N 315.320 3.049 0 40 DGAB O=C(CSc1ccccc1C(=O)O)NCCC1=CCCCC1 12978246 AHUZAWNIGCUHSP-UHFFFAOYSA-N 319.426 3.484 0 40 DGAB O=C(CN1CCC[C@@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 14085966 LFHKZHXVDJWQKP-MRXNPFEDSA-N 324.380 3.191 0 40 DGAB CCc1cccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)c1 14107235 MLAOFPVZVLTWSJ-LBPRGKRZSA-N 310.353 3.357 0 40 DGAB CCc1ccc(OCC(=O)Nc2cccc(C(=O)OC)c2)cc1 14788554 NHQHUFPZVRJKEV-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@@H](Cc2ccccc2)C1 19370538 YSYCOCPZUZNEQX-ROUUACIJSA-N 301.430 3.427 0 40 DGAB Oc1cc(-c2ccccn2)nc2cc(-c3ccc(F)cc3)nn12 19402415 OGYSZDIEFHWVEY-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB CCOc1ccccc1CN[C@@H]1COC[C@H]1c1ccc(F)cc1 19520208 BFCDUAQCIFDKMI-ZWKOTPCHSA-N 315.388 3.497 0 40 DGAB Cc1cc(C)c2c(N[C@@H]3CCN(Cc4ccccc4)C3)n[nH]c2n1 19657290 CVWGGTHKBKDURY-MRXNPFEDSA-N 321.428 3.261 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)Cc2ccccc2F)cc1 20042146 JJIQRKYUGHMFBU-UHFFFAOYSA-N 307.390 3.096 0 40 DGAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1ccccn1 20451432 IJFODGOJHAVKDA-AWEZNQCLSA-N 304.777 3.209 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1cccc(C)c1)C3 20796160 LIFYMTKTCNQXMW-AWEZNQCLSA-N 320.396 3.298 0 40 DGAB NC(=O)c1ccc(Cn2c(C(F)(F)F)nc3ccccc32)cc1 25005548 KPGPBWYFVWEXJB-UHFFFAOYSA-N 319.286 3.202 0 40 DGAB CCCn1ccc(C(=O)NCc2ccccc2C(F)(F)F)n1 32610862 SOJFSSANXRYGPO-UHFFFAOYSA-N 311.307 3.242 0 40 DGAB O[C@H](COc1ccc(F)cc1)CSc1ncc2ccccn12 32860244 WTTVYROPWMPEEX-CQSZACIVSA-N 318.373 3.005 0 40 DGAB CCCC[C@@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)O 33689777 QPWWUYHVJUXKJM-CYBMUJFWSA-N 318.398 3.172 0 40 DGAB CCOCCCNCC(=O)N1c2ccccc2[C@@H](C)CC1(C)C 35311382 PFIUHNMLLRHOAR-HNNXBMFYSA-N 318.461 3.322 0 40 DGAB COc1ccccc1C(=O)N1CCc2c([nH]c3ccccc23)C1 35899327 INASJKIYEINKRR-UHFFFAOYSA-N 306.365 3.375 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)c2cc(Cl)ccn2)cc1 36396810 AWHIVTCQTXJHCA-UHFFFAOYSA-N 318.804 3.495 0 40 DGAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(c2cccc(F)c2)=NO1 36760008 LWCRKGXFYRHKEU-HNNXBMFYSA-N 320.270 3.236 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 40079983 TUNDSAYIPIRMJW-CLCXKQKWSA-N 324.428 3.212 0 40 DGAB CC(C)(C)SCC(=O)NC[C@@H]1CCN(c2ccccc2)C1 40089012 FDXUZDMAADPZFT-AWEZNQCLSA-N 306.475 3.161 0 40 DGAB Cn1nc(C(C)(C)C)cc1NC(=O)CCC(=O)c1cccs1 40463309 AVMDCBYXBNUHSQ-UHFFFAOYSA-N 319.430 3.381 0 40 DGAB Cn1c(C(=O)N2CCOc3ccccc32)cc(Cl)c1Cl 40516255 ADQMXFLWFIGLLX-UHFFFAOYSA-N 311.168 3.371 0 40 DGAB CCc1ccc(CNC(=O)[C@@H]2CC(=O)Nc3ccccc32)s1 40538916 RQHCQJKSGAUJJQ-CQSZACIVSA-N 314.410 3.053 0 40 DGAB CN1C(=O)[C@](C)(C(=O)Nc2ccccc2)Sc2ccccc21 40774338 QHNHEWZIIFGJSE-KRWDZBQOSA-N 312.394 3.153 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)n1 41122694 WEUZIEBKOCTUFT-ZDUSSCGKSA-N 307.300 3.024 0 40 DGAB Nc1nnc(SCc2ccc(F)c3cccnc23)n1C1CC1 41721135 CZXHVTFAAOVPLD-UHFFFAOYSA-N 315.377 3.175 0 40 DGAB O=C(NCc1nc(C2CC2)no1)Nc1cc(Cl)ccc1F 47376782 WFWDTZYRWBGOGS-UHFFFAOYSA-N 310.716 3.061 0 40 DGAB CS[C@@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 48239744 SKHSVAURMLCMNZ-UWVGGRQHSA-N 316.264 3.248 0 40 DGAB Cc1cc(CNC(=O)CCCOc2ccccc2Cl)no1 50345159 PXEUBEDWXMPKJK-UHFFFAOYSA-N 308.765 3.112 0 40 DGAB O=C(Nc1cccc(N2CCCCC2=O)c1)Nc1nccs1 52796999 MHSKPLMURIUXGN-UHFFFAOYSA-N 316.386 3.304 0 40 DGAB CCOCCCC(=O)Nc1ccc(N(C)C(=O)OCC)cc1 54312145 PANLHRMYVTWRRK-UHFFFAOYSA-N 308.378 3.035 0 40 DGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCO[C@H]2CCC[C@H]21 56197617 PODCEFSCBAMOTK-OLZOCXBDSA-N 304.777 3.215 0 40 DGAB Cc1cc(=O)oc2c(C)c3c(cc12)CN(Cc1ccco1)CO3 57156135 BPDQAMPWPOFFCA-UHFFFAOYSA-N 311.337 3.355 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)NCc1nc2ccccc2n1C 57997586 KQYMEJFCDXSURS-KRWDZBQOSA-N 323.396 3.047 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C(C)C)n[nH]2)cc1OC 58214427 VWEPOZZYZDVCDS-UHFFFAOYSA-N 303.362 3.193 0 40 DGAB COc1ccc(CC2CCN(C(=O)C[C@H]3CCCO3)CC2)cc1 58298711 UYKZVUHTBWCGOC-GOSISDBHSA-N 317.429 3.045 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccsc1)c1ccc2c(c1)OCO2 58313377 BVYNMEMADDDYNN-NSHDSACASA-N 318.398 3.379 0 40 DGAB CC[C@H](C(=O)Nc1ccn(Cc2ccccn2)n1)c1ccccc1 58401552 LOTBKPCOHXFIPD-KRWDZBQOSA-N 320.396 3.459 0 40 DGAB CC(C)[C@@H]1Nc2ccccc2C(=O)N1CCCCCC(=O)O 62716003 PBNYDSGNTDNCIB-MRXNPFEDSA-N 304.390 3.181 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(C)c3ccccc3C2)n1 69091066 QVCNANNDQPERTH-ZDUSSCGKSA-N 300.406 3.206 0 40 DGAB CCCCCC(=O)N1CCC[C@H](c2n[nH]c(=S)n2CC)C1 69414797 FWDFJELFOWQNGK-LBPRGKRZSA-N 310.467 3.247 0 40 DGAB Cc1nc(C)c(C(=O)NCCc2nc(C(C)(C)C)cs2)s1 69814283 GABKPDWRVUIBMQ-UHFFFAOYSA-N 323.487 3.486 0 40 DGAB O=S1(=O)N=C(CSCc2ccccc2)Nc2ccccc21 69844591 ZHSXJEAEBQOFGR-UHFFFAOYSA-N 318.423 3.133 0 40 DGAB Cc1cc(C)cc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 70928378 GHNQIOAYBXEEJL-UHFFFAOYSA-N 323.440 3.345 0 40 DGAB CCCCN(Cc1cccc(Cl)c1)[C@@H]1CCS(=O)(=O)C1 70980280 XPOYVKSTCLENIE-OAHLLOKOSA-N 315.866 3.129 0 40 DGAB CC(=O)N1CCC[C@H](Cc2cccc(Br)n2)CC1 72343878 JHQSTJPWYHSDHS-LBPRGKRZSA-N 311.223 3.035 0 40 DGAB CN(Cc1ccc(F)cc1F)C(=O)c1ccc2c(c1)COCO2 73413008 GMMUJZGXNIJMRT-UHFFFAOYSA-N 319.307 3.104 0 40 DGAB CN1CCC(CC(=O)Nc2ccccc2C(F)(F)F)CC1 74921025 XIQFYLDJTWHUPY-UHFFFAOYSA-N 300.324 3.376 0 40 DGAB Cc1cc(C)c(CNc2ccc(-c3ccc(F)cc3)nn2)c(=O)[nH]1 75119419 YOCBLJQPXRTPHT-UHFFFAOYSA-N 324.359 3.200 0 40 DGAB C[C@H](CC[S@@](C)=O)NC(=O)Nc1cc(Cl)ccc1Cl 76092093 XUAOSVRCXLCELW-YLVJLNSGSA-N 323.245 3.272 0 40 DGAB CCc1ccccc1CNC(=O)Nc1cnc2c(c1)c(C)nn2C 77679567 YSKCZIQKGGOKCX-UHFFFAOYSA-N 323.400 3.161 0 40 DGAB O=C(Nc1nncs1)N1CCC(Cc2cccc(F)c2)CC1 79624040 WCBKRPWMBUXKHH-UHFFFAOYSA-N 320.393 3.164 0 40 DGAB O=c1[nH]ncc(NCC2(c3ccc(F)cc3)CCCC2)c1Cl 79928345 GRCNSMFNLNOYOX-UHFFFAOYSA-N 321.783 3.486 0 40 DGAB Cc1cn2c(/C=C/C(=O)NC(C3CC3)C3CC3)c(C)nc2s1 84257693 DLFOICQETLJEPT-BQYQJAHWSA-N 315.442 3.331 0 40 DGAB O[C@H](CN(Cc1ccccc1)Cc1ccon1)c1cccs1 84535740 BASKSYCGCOJICG-MRXNPFEDSA-N 314.410 3.472 0 40 DGAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(Cl)c2)[C@H](C)C1 84714620 WQZQGTULKCMQNF-GDLVEWKHSA-N 312.816 3.387 0 40 DGAB Cc1ccc(CNC(=O)N(C)C2CCC2)c(N2CCCC2)c1 88645575 IPPOEKZVMNWLRJ-UHFFFAOYSA-N 301.434 3.289 0 40 DGAB COC(=O)c1ccc(C(F)(F)F)cc1NC(=O)N1CCCC1 89406812 CLONTOYCUZBACW-UHFFFAOYSA-N 316.279 3.120 0 40 DGAB O=C(N[C@@H]1CCc2[nH]ncc2C1)N[C@@H](c1ccccc1)C1CCC1 89826026 MMBDIYBLUCFLFG-AEFFLSMTSA-N 324.428 3.108 0 40 DGAB OCc1nc2ccccc2n1Cc1ncc(-c2cccs2)o1 89873324 NWARHOMEXKYVFW-UHFFFAOYSA-N 311.366 3.293 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cc2cc(C)ccc2o1 89948840 PRUTUQJHIAXEIC-MAUKXSAKSA-N 314.429 3.478 0 40 DGAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccncc1Cl 89967556 RZCQVAQXJBLDHL-INIZCTEOSA-N 318.804 3.239 0 40 DGAB Cc1noc(C)c1CN1CCN(Cc2cccc3[nH]ccc23)CC1 91891311 OBPIKADKDJEEFN-UHFFFAOYSA-N 324.428 3.091 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(O)cc2)C1 95411231 RFSDPOKDFSIKDW-ZBFHGGJFSA-N 322.474 3.250 0 40 DGAB Cc1nn(C[C@@H](O)c2cccc(F)c2)c(C)c1Br 95438750 RGRJOPWUZDFPPH-GFCCVEGCSA-N 313.170 3.135 0 40 DGAB COc1ccc([C@H](N)c2n[nH]c(-c3cccc(Cl)c3)n2)cc1 95533662 FGBALOPNCKLHHU-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB Cc1ccccc1C1(CN[C@H]2C[C@@H](C)OC2=O)CCCCC1 95958795 QCIOSGRLRXIHLB-WBVHZDCISA-N 301.430 3.491 0 40 DGAB Cc1nc(-c2ccc(S(=O)(=O)N(C)[C@H](C)C(C)C)cc2)co1 95960105 UZFBKMCPRZSWBV-GFCCVEGCSA-N 322.430 3.315 0 40 DGAB Cc1ccc(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)o1 95962185 PANYFBVDPYMPBC-KRWDZBQOSA-N 312.413 3.182 0 40 DGAB Cn1cc(CNc2nnc(CC3CC3)o2)c(C2CCCCC2)n1 96009461 SUKTVBLAPYGSGB-UHFFFAOYSA-N 315.421 3.415 0 40 DGAB Cn1cc([C@@H](O)CNC(=O)Nc2cccs2)c2ccccc21 96096555 VEJHAJLSCZCLMP-AWEZNQCLSA-N 315.398 3.095 0 40 DGAB O=C(NC[C@H](CCO)c1ccccc1)Nc1cccnc1Cl 96419826 LKYMSTIIMPZTGP-ZDUSSCGKSA-N 319.792 3.023 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC[C@@H]1C1CCC1 96420237 NJDCUXUKFSJKFL-GFCCVEGCSA-N 316.327 3.242 0 40 DGAB C[C@H](c1ccccn1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 96422013 MWBPSPVGPOVVCG-CQSZACIVSA-N 321.384 3.492 0 40 DGAB COCC1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 96431034 HLMSETWOKUSCMI-AATRIKPKSA-N 322.474 3.339 0 40 DGAB Cc1ncc(CNC(=O)NC[C@H](C)Oc2ccccc2C)s1 96439562 PDRIHBBPALOFRL-LBPRGKRZSA-N 319.430 3.027 0 40 DGAB Cc1ncc(CNC(=O)NC[C@@H](C)Oc2ccccc2C)s1 96439563 PDRIHBBPALOFRL-GFCCVEGCSA-N 319.430 3.027 0 40 DGAB CC1CCN(C(=O)[C@H](C)[S@@](=O)C/C=C/c2ccccc2)CC1 96448048 GKINFMRUDGXNOL-FBLQFZNOSA-N 319.470 3.096 0 40 DGAB COCCCOc1c(F)cc(Br)cc1C(C)=O 97371725 ABXPAHHPKGIVKL-UHFFFAOYSA-N 305.143 3.206 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Nc3c(C)cccc3C)C2=O)cc1 101275963 GNNMWSZTWSOXQO-INIZCTEOSA-N 324.380 3.056 0 40 DGAB Cc1csc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 105206257 RHAXHHTZOWWQJW-MROQNXINSA-N 310.488 3.485 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)[C@H](C)N2CCCCCC2)C12CCCC2 106920548 NZFXPUOGANSHAT-YESZJQIVSA-N 322.493 3.105 0 40 DGAB COc1ccccc1CC(=O)NCc1ccc(-c2ccco2)nc1 225752610 VDGBDSPXEDPEPI-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB CCc1nnc2sc(-c3c(F)c(F)c(F)c(F)c3F)nn12 226293887 CDIBQGDYHVUVCS-UHFFFAOYSA-N 320.246 3.111 0 40 DGAB O=C(CC(F)(F)F)N1CC[C@@H](Oc2ccc3ccccc3n2)C1 245108445 SXNKDJMVXAHUAM-GFCCVEGCSA-N 324.302 3.167 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2 252505291 JQWADFJXACVBHO-BDPHEOEISA-N 309.494 3.453 0 40 DGAB O=C(c1ccccc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257201374 AHLMCMFSBIHQGJ-QGZVFWFLSA-N 303.365 3.280 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)CCc1cccs1 257203960 ASJPVZBVPIBNLX-AWEZNQCLSA-N 303.431 3.466 0 40 DGAB CNc1nccc([C@@H]2CCCCN2Cc2ccc(OC)cc2)n1 257220264 DKFFIMIDBABFCA-KRWDZBQOSA-N 312.417 3.254 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cccc3ncccc23)n1 257248958 JFZJCOOCBQZTPU-QGZVFWFLSA-N 320.396 3.254 0 40 DGAB COc1cc(CN2CCC[C@H](c3nc(C)cn3C)C2)ccc1F 257342113 ZNDHMWHZNDKFOD-HNNXBMFYSA-N 317.408 3.256 0 40 DGAB CC(C)(C)CC(C)(C)N1CCN(c2cccc(C(=O)O)n2)CC1 263429918 SLCKVYYRGAZOKY-UHFFFAOYSA-N 319.449 3.117 0 40 DGAB COc1ccc(C(=S)NCCc2ccccc2)c(OC)c1 408578160 WHDZWMOABRVNNH-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)NCc1ccccc1 409182883 PNLUGHFIPJJGBL-UHFFFAOYSA-N 314.410 3.054 0 40 DGAB O=C(c1cc(Cl)ccc1O)N1CCC[C@@H](c2ccncc2)C1 521652168 ZXFWVXFBZKZGEL-CYBMUJFWSA-N 316.788 3.460 0 40 DGAB O[C@@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2ccno2)C1 547771495 VLWQYSMLEKXRLV-YGRLFVJLSA-N 312.291 3.001 0 40 DGAB C[C@H](NC[C@@H]1CCO[C@H]1c1ccnn1C)[C@@H]1CC2CCC1CC2 563273794 VZPICZAZYVYAGB-HNOVWTNPSA-N 317.477 3.302 0 40 DGAB O=C(Cc1ccsc1)N1CC[C@@H](Oc2ccncc2Cl)C1 575605606 LOZZRWSVZCWEKZ-GFCCVEGCSA-N 322.817 3.019 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H](c1ccsc1)n1cccn1 575613372 GDUWXRKGTQLSCS-IWAYRVGRSA-N 323.421 3.364 0 40 DGAB CCOc1nc2cc(NC(=O)c3nc(C)oc3C)ccc2o1 585087771 OPCGPGMZHCTBMD-UHFFFAOYSA-N 301.302 3.084 0 40 DGAB CC[C@@H](C)Oc1cc(-c2nc(-c3cccc(O)n3)no2)ccn1 585120573 WKJJAMZHPYEBQY-SNVBAGLBSA-N 312.329 3.077 0 40 DGAB CCCCCOCC(=O)N1CC2(CCC2)[C@@H]1c1cccnc1 585127028 OILHDNAPLRUWGI-KRWDZBQOSA-N 302.418 3.342 0 40 DGAB Cc1cccc(O[C@@H]2CCC[C@H](NCCCOC(C)C)[C@H]2O)c1 585289655 UDAQXXZAGZYBJF-IPMKNSEASA-N 321.461 3.061 0 40 DGAB O=C([C@@H]1CCc2ccccc2O1)N1CCC2(CC1)CC2(F)F 650609284 IZMWDMGFCKKBMI-AWEZNQCLSA-N 307.340 3.028 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 532334 XGPJHWMCXSDYAT-HOTGVXAUSA-N 305.385 3.315 0 40 DGAB CC(=O)NC(=S)Nc1cccc(Cl)c1N1CCCCC1 556679 HRRVTWNGNXJESU-UHFFFAOYSA-N 311.838 3.163 0 40 DGAB Cc1ccnc(N2CCC[C@@H](C(=O)Nc3ccc(C)c(C)c3)C2)n1 1358061 ANLJYUKVTULJNV-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CCc1cccc(C)c1NC(=O)CCc1nnc(SC)o1 1624255 ORDCFYRUBSQPSH-UHFFFAOYSA-N 305.403 3.234 0 40 DGAB OC1=NC(C(F)(F)F)(C(F)(F)F)N=C2C=CC(Cl)=CN12 2050159 HYYRJSJFERPXDW-UHFFFAOYSA-N 319.592 3.085 0 40 DGAB COc1ccc(COC[C@@H](O)CN[C@@H](C)CCCC(C)C)cc1 2655942 BAPKHUKMWKHLGY-WMZOPIPTSA-N 323.477 3.377 0 40 DGAB Cc1ccc(NC(=O)COc2ncnc3ccccc23)c(C)c1 3277522 ZYWTUFNLECJJIX-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB O=C(COC(=O)c1ccc(CO)cc1)c1ccc2ccccc2c1 3418755 HIQWFPCCYNDVJT-UHFFFAOYSA-N 320.344 3.372 0 40 DGAB CCOC(=O)[C@H](Sc1nc(C)cc(C)n1)c1ccccc1 4690115 KYFFUCOHJNXNEI-CQSZACIVSA-N 302.399 3.490 0 40 DGAB COC(=O)c1ccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)cc1 5172997 HFAKIOPEXYKWJO-WJDWOHSUSA-N 321.332 3.126 0 40 DGAB Cc1cc(C)c(NC(=O)c2cc3cccnc3n(C)c2=O)c(C)c1 5303704 MQKLWHBCRKQVNP-UHFFFAOYSA-N 321.380 3.111 0 40 DGAB O=C(N1CCOCC1)N(CCc1ccccc1)Cc1ccccc1 5428547 KVZMSNZZGSNHEO-UHFFFAOYSA-N 324.424 3.184 0 40 DGAB Cc1ccc(-c2nn3c(-c4[nH]nc5c4CCC5)nnc3s2)cc1 5461000 YFSZXRJQRDHACK-UHFFFAOYSA-N 322.397 3.040 0 40 DGAB O=C1c2cccc3cc(O)cc(c23)C(=O)N1c1ccccc1O 5898533 BKDXPDJTAKPQJB-UHFFFAOYSA-N 305.289 3.052 0 40 DGAB CCOc1ccc(-c2nn(CN3CCCC3)c(=S)o2)cc1 5953703 LEKDRAJNQWUFIA-UHFFFAOYSA-N 305.403 3.325 0 40 DGAB Cc1cccc(NC(=O)[C@@H](NC(=O)C2CCCCC2)C(C)C)n1 6722257 VDUBTLDSJBMPIB-INIZCTEOSA-N 317.433 3.050 0 40 DGAB Cc1ccc(F)c(NS(=O)(=O)c2ccc(F)c(F)c2)c1 7428482 KCRWPFSWXGZKRO-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)Nc1nnc(S)[nH]1 8377472 ITFFAAKHQUBBCY-UHFFFAOYSA-N 304.162 3.044 0 40 DGAB CC[C@@H](NC1=NS(=O)(=O)c2ccccc21)c1ccc(C)cc1 9500675 KSPWDGCDMFSZCQ-OAHLLOKOSA-N 314.410 3.185 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2ccccc2Cn2cccn2)c1 10234961 ZKZJURAGWWBWGD-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB CC(C)c1cccc2sc(NC(=O)c3ccn(C)n3)nc12 12444413 WMQNFBLESVJCCC-UHFFFAOYSA-N 300.387 3.406 0 40 DGAB Cc1cccc(CCNCc2cc3cc(C)ccc3[nH]c2=O)c1 12468820 BZWQPQIAAVGWTQ-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB CC(C)c1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12903977 ZSDATDNQPIQCLF-QGZVFWFLSA-N 310.405 3.452 0 40 DGAB Cc1nc2cc(NC(=O)CC3(C(=O)O)CCCCC3)ccc2o1 13467886 LUNRGZGZDCWRST-UHFFFAOYSA-N 316.357 3.500 0 40 DGAB CC(=O)Nc1ccc(OC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 14627894 WRHSWQBHJLPSRQ-CYBMUJFWSA-N 313.353 3.326 0 40 DGAB Cc1cc(C)cc(NC(=S)N2CC(=O)Nc3ccccc32)c1 16273103 TZGDIELMOWDDBA-UHFFFAOYSA-N 311.410 3.459 0 40 DGAB O=C(Cc1cccs1)NCCc1ccc(N2CCCC2)cc1 16847190 XOPLDWXFYZSDGK-UHFFFAOYSA-N 314.454 3.250 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCOCC1 19791741 OTZHIQOGDANTHW-LJQANCHMSA-N 307.397 3.293 0 40 DGAB Cc1ccc(N2CCN(C(=O)NC3CCCCC3)CC2)cc1 19923748 AESPJKSYQLSNIZ-UHFFFAOYSA-N 301.434 3.159 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)cc1 20110390 UOWNEIBLJUTGIL-KRWDZBQOSA-N 315.369 3.500 0 40 DGAB Cc1ccc(OCC(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 24883590 QTFYHRYQWVTBCL-UHFFFAOYSA-N 307.353 3.403 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2ccc(F)cc2F)c1 30860763 RPAUIFXAINEGOT-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)on1 32765462 OUHAGZJDIPBPBR-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)NCC(F)(F)F)s2)o1 32923086 HBZUEMUEGISQLR-UHFFFAOYSA-N 304.293 3.312 0 40 DGAB Cn1ccnc1CN(C(=O)c1ccc(Cl)cc1F)C1CC1 32931893 FEENZZRRHOEZMZ-UHFFFAOYSA-N 307.756 3.017 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)NCc3ccccc3)C2)cc1 38566765 ILYKTLPLKCGUDE-KRWDZBQOSA-N 310.397 3.394 0 40 DGAB CC(C)(C)CC(=O)N1CCN(Cc2nc(C3CC3)cs2)CC1 38890574 INZDFAILPVUZRG-UHFFFAOYSA-N 321.490 3.101 0 40 DGAB O=C(O)c1ccc2c(c1)CN(C(=O)OCc1ccccc1)CC2 40448418 LSBNDRUEEMBVHN-UHFFFAOYSA-N 311.337 3.080 0 40 DGAB O=c1[nH]c(CN2CCC(c3ccccc3)CC2)nc2ccccc12 40493403 NMGGNNCLLZDKGI-UHFFFAOYSA-N 319.408 3.303 0 40 DGAB COc1ccc2oc(-c3ccc4nc(NN)sc4c3)nc2c1 40542417 HXWZBDKSELLTCC-UHFFFAOYSA-N 312.354 3.399 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CC(=O)NCC(C)C 42199913 ZJNGFAKCAZLUTE-UHFFFAOYSA-N 319.836 3.457 0 40 DGAB Cc1ccccc1CN1C[C@H](c2noc(-c3ccco3)n2)CC1=O 44214026 QPKCXMZRNGVLMM-CQSZACIVSA-N 323.352 3.154 0 40 DGAB Cc1noc(CCCC(=O)N(C)Cc2ccc([C@H]3C[C@H]3C)o2)n1 44939489 CHOSXWRTUCZPCL-RISCZKNCSA-N 317.389 3.076 0 40 DGAB COc1cc(OC)cc(C(=O)NCCSC2CCCC2)c1 46450256 SZWNLJUTTUCWJL-UHFFFAOYSA-N 309.431 3.109 0 40 DGAB Cc1ncc(CN(C)Cc2nc(-c3ccsc3)no2)s1 47258976 KTACGFOINFPEIK-UHFFFAOYSA-N 306.416 3.195 0 40 DGAB CC(C)(C)c1ccc(C(=O)C(=O)NCCCOCC2CC2)cc1 48299277 KNFGRUWTKLOYGV-UHFFFAOYSA-N 317.429 3.100 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)c3cc(C)sc3C)C2)n1 54121449 HHDRDPNVWVSDDJ-GFCCVEGCSA-N 305.403 3.076 0 40 DGAB COc1cccc(CNC[C@@H](O)c2ccc(Cl)cc2)c1OC 58232400 RBZYYLDVCDOYDG-OAHLLOKOSA-N 321.804 3.180 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1c1ccccc1 58424145 DETKFWRDSUUNEA-QGZVFWFLSA-N 318.380 3.245 0 40 DGAB Cc1csc(CNC(=O)NCc2ccc(F)c(Cl)c2)n1 65528946 YXIMAJIQKDWAJI-UHFFFAOYSA-N 313.785 3.243 0 40 DGAB Cc1ccc(F)c2c1N(C(=O)c1cnn(C)c1C(F)F)CCC2 66787262 KSVMKXZNPCYHSL-UHFFFAOYSA-N 323.318 3.398 0 40 DGAB CCc1ccc(CN(C)Cn2nc(C(C)(C)C)ccc2=O)cc1 66792058 CKRLPPJDOZOKOX-UHFFFAOYSA-N 313.445 3.193 0 40 DGAB CCSCCC(=O)NCCc1coc(-c2ccccc2)n1 69438375 ODJVMJZBSRIUDD-UHFFFAOYSA-N 304.415 3.144 0 40 DGAB Cc1cccc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 69484649 LPPSBOIIWQRHNX-UHFFFAOYSA-N 306.369 3.082 0 40 DGAB O[C@H](COc1ccc(F)cc1)CN1CC[C@H](c2ccccc2)C1 69657060 QQCVWKKXEXZSFV-WMZOPIPTSA-N 315.388 3.055 0 40 DGAB Cc1cc(NC(=O)CS[C@@H](C)c2ccccc2F)n(C)n1 69741835 KSFLJWXMXHPBOI-NSHDSACASA-N 307.394 3.301 0 40 DGAB COCCCNC(=O)Nc1cccc(-c2nc(C)cs2)c1 69814609 HXKJDQIRSIRTEO-UHFFFAOYSA-N 305.403 3.277 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2Cc2nc3ccccc3o2)c1 69818191 NOWVAFNKTGCUTH-OAHLLOKOSA-N 310.401 3.387 0 40 DGAB C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@@H]1CCCO1 71799643 MZZHPMWJAQMOJV-BZNIZROVSA-N 324.371 3.206 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)Cc2cc(C)on2)n1 72284702 YEEOTUKWDBJZDO-CYBMUJFWSA-N 305.403 3.044 0 40 DGAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2ccc(O)cc2)C1 72405278 HGQZPGBWXDETJQ-CQSZACIVSA-N 309.325 3.354 0 40 DGAB COc1cccc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1OC 74510601 NJYAORFTZXJDLA-UHFFFAOYSA-N 317.389 3.350 0 40 DGAB Cc1cc(C)c2cc(C(=O)N3CCC4(CCOCC4)C3)[nH]c2c1 75341843 PJDVTYUGAZVWQA-UHFFFAOYSA-N 312.413 3.427 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)n[nH]1 76060523 HQFUZHNHJAJLCN-UKRRQHHQSA-N 315.417 3.438 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H]1C[C@H](O)c1ccccc1 78935641 SQUIMNQOQPBDMM-GJZGRUSLSA-N 316.426 3.180 0 40 DGAB CCOC(=O)C[C@@H](C)SCc1noc(-c2ccsc2)n1 79359023 LMKUCDOHZCPPTH-SECBINFHSA-N 312.416 3.373 0 40 DGAB O=C(C[C@H]1CCOc2ccccc21)Nc1ccc(C2CC2)nn1 84578935 ZCJSMMOIPGHCRB-CYBMUJFWSA-N 309.369 3.249 0 40 DGAB C[C@H](c1ccncc1)N(C)C(=O)Nc1ccccc1[S@](C)=O 84667372 UQAMYPVNNPPPEJ-VERVWZFWSA-N 317.414 3.044 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CCCc3[nH]ncc32)c1 89694737 IKKSTOLMFLAUFG-GFCCVEGCSA-N 313.401 3.471 0 40 DGAB C[C@@H]1CCN(c2ccc(Br)cn2)C[C@@H]1n1ccnc1 89930003 WYUMVKJIQZVVND-YPMHNXCESA-N 321.222 3.128 0 40 DGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)cc1 90450604 NNHSWFBCLSVZED-TXEJJXNPSA-N 308.175 3.129 0 40 DGAB C(=C1CCN(Cc2cnc3cnccn23)CC1)c1ccccc1 93695245 KWWILPSXFGEJEF-UHFFFAOYSA-N 304.397 3.409 0 40 DGAB COc1ccccc1OCCNC(=O)C(C)(C)c1cccs1 95397439 RCNJIKVKAPZTKG-UHFFFAOYSA-N 319.426 3.230 0 40 DGAB Cc1nn(C)c(C)c1CCN[C@H](CC(C)C)c1ccccn1 95419708 LGZFDBZYHMOCNY-GOSISDBHSA-N 300.450 3.351 0 40 DGAB C[C@@H](NC1CCN(C2CCCC2)CC1)[C@H](O)c1ccc(F)cc1 95968090 ULCJAOGYZDLYKO-KUHUBIRLSA-N 320.452 3.244 0 40 DGAB FC(F)CN1CCC(NC[C@H]2C[C@@]23CCc2ccccc23)CC1 95986483 LHLUSPNQQTVNOW-BEFAXECRSA-N 320.427 3.210 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 95992021 BQKLDWXFWPZGCL-STQMWFEESA-N 309.431 3.030 0 40 DGAB COc1cccc([C@H](CNC(=O)CSC2CCCC2)OC)c1 96389817 HBXAZPNYRZNRKM-INIZCTEOSA-N 323.458 3.175 0 40 DGAB CC(=O)NC[C@@H]1CCCN(Cc2cc(Cl)ccc2Cl)C1 96424163 OFGXKMQUYGWHHA-LBPRGKRZSA-N 315.244 3.342 0 40 DGAB CC/C=C(\C)C(=O)Nc1ccc2c(c1)N(C(=O)NCC)CC2 96425331 ZEWWNIAZEVPKBG-WUXMJOGZSA-N 301.390 3.073 0 40 DGAB CCc1csc(NC(=O)N[C@@H](CCCO)c2ccccc2)n1 96435587 CRHQZNFUDZDUGX-AWEZNQCLSA-N 319.430 3.341 0 40 DGAB C[C@H](NCc1ccnc(N2CCCCCC2)c1)C1CCOCC1 96477327 FUFDKCMXOVNZQO-INIZCTEOSA-N 317.477 3.367 0 40 DGAB C[C@@H](Nc1ccc(-c2nnnn2C2CC2)cc1)c1cccnc1 97045819 CUGWJQKJIPUNDX-GFCCVEGCSA-N 306.373 3.243 0 40 DGAB COc1ccc(NC(C)=O)c(NCc2ccc(OC)c(F)c2)c1 97236929 LRSVJXSIUYWLNK-UHFFFAOYSA-N 318.348 3.413 0 40 DGAB CCNC(=O)N1CCc2ccc(N[C@@H]3CCCSC3)cc21 97371184 IGUAQFTUDLCFNQ-CQSZACIVSA-N 305.447 3.086 0 40 DGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1ccc(Cl)c(Cl)c1 102700259 ZHLMNZNQKWTIPX-GHMZBOCLSA-N 310.180 3.445 0 40 DGAB CN(C)C[C@@H](NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1 105881570 VZIXRHGIXNWFBT-LEUOFYLZSA-N 300.446 3.232 0 40 DGAB Cc1ncccc1NC(=O)c1ccn(-c2ccccc2Cl)n1 175200824 QTDSLYFKEXPQTG-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COCc1nc(C)c(C(=O)Oc2cnc3ccccc3c2)s1 191471499 DZSYHGQBXAGJHX-UHFFFAOYSA-N 314.366 3.365 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC(OC[C@@H]2CCOC2)CC1 195575958 PMRZOBMWZYNEMI-SCTDSRPQSA-N 307.478 3.496 0 40 DGAB COc1ccc2nc(C)c(C(=O)NCCCOC(C)C)cc2c1 196203097 TXVDGIWIOIYXQH-UHFFFAOYSA-N 316.401 3.097 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)N[C@@H](C)CC 225584617 PBTXTNJJZLFNLG-RDJZCZTQSA-N 318.461 3.427 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1cccc(F)c1 225590816 BVVNXMIVDDSEDB-UHFFFAOYSA-N 321.355 3.255 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)N[C@H](C)c1ccccc1 225743503 KAIZDWMQVGMNDA-OAHLLOKOSA-N 320.392 3.187 0 40 DGAB CN(Cc1ccccc1)C(=O)c1snnc1-c1ccccc1 225759895 PCPHRCSFPVMNER-UHFFFAOYSA-N 309.394 3.477 0 40 DGAB COc1cccc(OC)c1CCC(=O)N(C)c1ccc(F)cc1 225993395 JGSOAEFPNNMFMF-UHFFFAOYSA-N 317.360 3.439 0 40 DGAB Fc1ccc(CNc2cnn(COCC(F)(F)F)c2)s1 256054011 UPTHYQUCTRXPTN-UHFFFAOYSA-N 309.288 3.232 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc(N3CCCC3)cc2)n1 257235070 GWHJVQFFZXZRPK-QGZVFWFLSA-N 324.428 3.296 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)c3ccnn3C(C)C)C2)s1 257296433 RCVJEOBFTPIFQA-ZDUSSCGKSA-N 318.446 3.249 0 40 DGAB c1cc2c(cc1-c1noc(-c3cc4n(n3)CCCC4)n1)CCC2 333892456 ZCCLORGKJQQECM-UHFFFAOYSA-N 306.369 3.425 0 40 DGAB CN1C(=O)S/C(=C\c2cc(Cl)cc(Cl)c2O)C1=O 408816804 MESGOVALBJCPFC-BAQGIRSFSA-N 304.154 3.365 0 40 DGAB C[C@@H](c1cccnc1)N(C)Cc1cc2ccccc2n(C)c1=O 568350218 UGJMUPKALWKMJM-AWEZNQCLSA-N 307.397 3.127 0 40 DGAB CCOCC[C@@H]1CCOC12CCN(Cc1ccc(C)o1)CC2 585105267 RSDAQPBDMZXKTP-MRXNPFEDSA-N 307.434 3.386 0 40 DGAB C[C@H]1C(=O)Nc2ccccc2CN1C(=O)c1ccoc1C1CC1 585122429 DOVHSPATZAMCLI-NSHDSACASA-N 310.353 3.140 0 40 DGAB CO[C@@H](CNc1ncc(Br)cn1)c1ccsc1 1775970488 OIXDQJYABCOICY-JTQLQIEISA-N 314.208 3.100 0 40 DGAB O=C(NC1(C(F)(F)F)Oc2ccccc2O1)c1ccccc1 45402 SPFUMOPHHZKVDD-UHFFFAOYSA-N 309.243 3.104 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccc(C(C)(C)C)cc1 206923 BOMRERMWIVCWKD-HNNXBMFYSA-N 316.401 3.175 0 40 DGAB CC(=O)Nc1sc2c(c1C(=O)NCc1ccco1)CCCC2 268804 VASFHKYIEDGFAN-UHFFFAOYSA-N 318.398 3.108 0 40 DGAB Cc1cccc(C)c1NC(=O)CSC(=S)N1CCCC1 302134 ARFDFBKFNRBZEE-UHFFFAOYSA-N 308.472 3.356 0 40 DGAB CCCOC(=O)c1cc(NC(=O)c2ccccc2F)ccc1O 2069834 WHJSKAQRDJJSLM-UHFFFAOYSA-N 317.316 3.350 0 40 DGAB CC[C@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1 2625063 RHOLLPADFGDLBL-NSHDSACASA-N 321.402 3.213 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)N2CCc3ccccc32)c1 3401818 NILNQXZAIWRVMH-UHFFFAOYSA-N 309.365 3.050 0 40 DGAB CN(Cc1ccccc1)C(=O)CCCn1c(=O)oc2ccccc21 3456972 JMVIIDCAWYFFKY-UHFFFAOYSA-N 324.380 3.033 0 40 DGAB O=c1nc(SCc2ccccc2Cl)nc2ccccn12 4499800 FBNXOQHFHATXRL-UHFFFAOYSA-N 303.774 3.035 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)Oc2ccc(-c3nnco3)cc2)c1 5208996 FHGCYQXPYSPMLT-ZDUSSCGKSA-N 323.352 3.451 0 40 DGAB CCCN1C(=O)/C(=C\c2sccc2C)C(C(=O)OC)=C1C 6654649 NLOXABFTUCKRNQ-XFXZXTDPSA-N 305.399 3.139 0 40 DGAB CCCCc1nnc2sc(NC(=O)c3ccccc3C)nn12 6818089 ZQJHPCKVRLLJGX-UHFFFAOYSA-N 315.402 3.089 0 40 DGAB COc1ccc(CNC(=O)c2ccc(Cl)cc2)cc1OC 7264938 QTVGNCRVBJWIAI-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB S=c1[nH]nc(-c2ccncc2)n1NCc1cccc(Cl)c1 7602062 ZTQUKIJBHBPPAI-UHFFFAOYSA-N 317.805 3.400 0 40 DGAB Cc1nnc(SCC(=O)c2ccc3c(c2)CCC3)n1C1CC1 7617908 NTPLRJPNKPSEBE-UHFFFAOYSA-N 313.426 3.385 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(-n2cncn2)cc1 8429489 NQJWKTNHBLCAGQ-UHFFFAOYSA-N 304.353 3.008 0 40 DGAB CCOc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 9156003 OYBMYVYMZFOJQE-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc3scnc3c2)cc1 9472071 LVSXKRKYAOOXRQ-UHFFFAOYSA-N 312.350 3.335 0 40 DGAB O=C(c1cnc2cc3c(cc2c1)OCCCO3)c1ccccc1O 9644576 YRKSLSAUKRNNNY-UHFFFAOYSA-N 321.332 3.333 0 40 DGAB Cc1ccnc(NC(=O)c2cc(Br)ccc2O)c1 12543302 GWXQTENDAGRSSP-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cc3ccccc3cc2O)cc1 12734652 JULPGCKRVFVWGV-UHFFFAOYSA-N 320.348 3.157 0 40 DGAB CN1C(=O)N(Cc2csc(-c3cccs3)n2)C(=O)C1(C)C 12897894 FTWPIQDBVLINSZ-UHFFFAOYSA-N 321.427 3.044 0 40 DGAB CCOc1ccc2nc(SCC(=O)N[C@H](C)C(C)C)[nH]c2c1 12969487 CYUJFTIZXIJUCA-LLVKDONJSA-N 321.446 3.214 0 40 DGAB O=S(=O)(Cc1ccccc1)NCCCc1ccc(Cl)cc1 13672935 FCCSGJBCWGFRCS-UHFFFAOYSA-N 323.845 3.392 0 40 DGAB O=C(NC(=S)NCc1ccco1)c1cccc2ccccc12 14257812 HDPCDWKWDGIVKS-UHFFFAOYSA-N 310.378 3.237 0 40 DGAB COc1cccc(-n2c3c(c(SC(C)C)nc2=O)CCC3)c1 15840572 UROQFVKQUURCFM-UHFFFAOYSA-N 316.426 3.230 0 40 DGAB O=C(c1ccc(F)cc1)c1cn(CCO)c2c(Cl)nccc12 19332299 NDPRTZKKXUJDGG-UHFFFAOYSA-N 318.735 3.052 0 40 DGAB CC(=O)NCCCc1ccc(-c2csc(NC3CC3)n2)cc1 19542546 YYGOOZAMSUVUCD-UHFFFAOYSA-N 315.442 3.453 0 40 DGAB Cc1cc(C(=O)NC2CCN(Cc3ccccc3)CC2)cs1 20352898 UUOJSDUPUJCNKE-UHFFFAOYSA-N 314.454 3.451 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)Cn1cnc2cc(F)c(F)cc21 24425559 DZIDPGWBVDDGMM-GXFFZTMASA-N 307.344 3.009 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@@H]1Cc2ccccc2O1 24887149 ITRFEMLBDRWMSY-KRWDZBQOSA-N 305.337 3.019 0 40 DGAB C[C@H](NC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 26402261 PAAGKKAFQPIHJG-MAUKXSAKSA-N 316.445 3.218 0 40 DGAB Cc1ccnc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)c1 27649251 SOWVHSCTAYAXQK-GFCCVEGCSA-N 302.761 3.233 0 40 DGAB CC(C)(C)c1nc(CSc2nc(N)c3ccsc3n2)no1 28015494 SHRIMVADOSBCEU-UHFFFAOYSA-N 321.431 3.246 0 40 DGAB Cc1nn(Cc2cccc(C(=O)N3CCCC3)c2)c(C)c1Cl 28236608 NPVQEFHWVVWABP-UHFFFAOYSA-N 317.820 3.438 0 40 DGAB C[C@H](NC(=O)c1cc[n+]([O-])cc1)c1ccc(-c2ccccc2)cc1 30889056 RWJUUXFPJNBNGL-HNNXBMFYSA-N 318.376 3.478 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1C 32585544 AAGMMFHSZBIRKT-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CN(CCCO)Cc1cn(-c2ccccc2)nc1-c1ccccc1 32759733 BCUBKWOOFUNXGP-UHFFFAOYSA-N 321.424 3.354 0 40 DGAB O=C1CCCCN1c1ccc(C(=O)N2CCc3ccccc32)cc1 32784548 TWYSMGYVPLEPKU-UHFFFAOYSA-N 320.392 3.406 0 40 DGAB C[C@H](CNC(=O)CCc1cccs1)N1CCc2ccccc21 33056148 MFIJSVIZBJBODQ-CQSZACIVSA-N 314.454 3.248 0 40 DGAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccccn1 40108463 NPFAMCQTPBDHJQ-LLVKDONJSA-N 319.202 3.205 0 40 DGAB Cc1cc(-c2csc(NC(=O)c3cnsn3)n2)c(C)o1 48750310 ZIBCYGRXTPJCAC-UHFFFAOYSA-N 306.372 3.124 0 40 DGAB COC(=O)c1ccccc1NC(=O)Nc1ccc(OC)cc1C 51355860 CRRYQADKVXJMQG-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB O=C(c1csc(-c2cccs2)n1)N1CCO[C@@H]2CCC[C@@H]21 53379648 FKJOAPDPLITQLG-NWDGAFQWSA-N 320.439 3.265 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(N3CCNC3=O)cc2)s1 54325486 YUPWCZRXHALKOA-UHFFFAOYSA-N 315.398 3.092 0 40 DGAB O=C(CCc1ncc(-c2ccc(F)cc2)o1)N1CCCCC1 54584195 LUUNWUQOQXAGLB-UHFFFAOYSA-N 302.349 3.426 0 40 DGAB CC(=O)N(C)CC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 55949909 YVKMEOWMRZFZEU-UHFFFAOYSA-N 316.332 3.035 0 40 DGAB Cc1ccc(C)c(OC2CCN(c3ncnc4[nH]cnc34)CC2)c1 57142452 QCQYVKOMXXIJIY-UHFFFAOYSA-N 323.400 3.018 0 40 DGAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 60346118 MZIVFGSZFWSAIH-INIZCTEOSA-N 318.760 3.209 0 40 DGAB COCO[C@H]1CCCN(c2ccccc2[C@@H](N)CC(C)C)C1 65743341 HVWGQJMMDGGTPN-RDJZCZTQSA-N 306.450 3.322 0 40 DGAB in-vitro Cc1ccc(NC(=O)C[S@](=O)Cc2cccc(C)c2)cc1 66296776 YMHZFUFPWPHFLB-NRFANRHFSA-N 301.411 3.191 0 40 DGAB CCN(C(=O)c1cc(C)nc2c1c(C)nn2C)[C@@H](C)C(C)C 67114937 IHLLOHVTAOYXGE-ZDUSSCGKSA-N 302.422 3.092 0 40 DGAB CCc1ccc(-n2cc(C(=O)NCc3ccc(C)cc3)nn2)cc1 67262060 QLAQAGVASPZHCM-UHFFFAOYSA-N 320.396 3.068 0 40 DGAB O=C(CCc1ccc2c(c1)CCO2)Nc1cc(F)ccc1F 68741298 CFXVDQOOIHBLAC-UHFFFAOYSA-N 303.308 3.471 0 40 DGAB CC(C)(C)c1nnc(COc2cccc3c2CCC[C@@H]3O)o1 69150528 HSWGMAHWGHXWPQ-ZDUSSCGKSA-N 302.374 3.316 0 40 DGAB CCCCCNC(=O)c1cc(C2CC2)nc2c1c(C)nn2C 69597911 NFRIWAJMQGMEEX-UHFFFAOYSA-N 300.406 3.074 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3ccccc3o2)c1 70015113 VADSRVITIZBSFY-HNNXBMFYSA-N 309.369 3.243 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C[C@H](c2ccccc2)O1 71836534 MJWMKDDPNZRZRH-NOVWEMISSA-N 311.381 3.372 0 40 DGAB CCCOc1cccc(N[C@@H]2CCN(CC(F)(F)F)C2=O)c1 71908372 PBDZNENSNMPPHZ-CYBMUJFWSA-N 316.323 3.051 0 40 DGAB CN(CC(=O)Nc1ccccc1-c1ccccc1)Cc1cn[nH]c1 72311981 YMWHUZKYNLDDFX-UHFFFAOYSA-N 320.396 3.147 0 40 DGAB COCCN1CCC[C@@H](c2nccnc2-c2ccccc2F)C1 72358496 AQVJPMDTEBXMHK-CQSZACIVSA-N 315.392 3.109 0 40 DGAB Cc1cc(Nc2ncccn2)nc([C@H]2CCCN2C2CCCC2)n1 72359942 YNDYCJGMTWKKDW-OAHLLOKOSA-N 324.432 3.398 0 40 DGAB O=C(Nc1nncs1)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 73516245 DBGKAIHISPVGLJ-BDAKNGLRSA-N 313.304 3.299 0 40 DGAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@H]1C[C@@H]1C 76018082 CLQDMMTZLAMKGV-XPTSAGLGSA-N 317.389 3.081 0 40 DGAB Cc1nccn1CCCC(=O)NC1(c2cccc(Cl)c2)CC1 77164166 QQXUMYLQEFQVRW-UHFFFAOYSA-N 317.820 3.431 0 40 DGAB C[C@H]1CCCN(C(=O)[C@@H]2CC(c3cc(F)ccc3F)=NO2)CC1 78651248 LMUBWYKQAOSWSA-ZBEGNZNMSA-N 322.355 3.106 0 40 DGAB Clc1ccc(-c2n[nH]cc2I)cc1 82568981 WRXLSOHSTGZKMT-UHFFFAOYSA-N 304.518 3.335 0 40 DGAB COc1cccc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccccc2)c1 83062629 FWMNEICQRXBPDI-IAGOWNOFSA-N 312.369 3.347 0 40 DGAB Cc1[nH]c(=O)ccc1C(=O)N[C@H](C)c1ccc2c(c1)CCCC2 84028821 XPWYVGNJHFQBBT-GFCCVEGCSA-N 310.397 3.053 0 40 DGAB O=C(CCc1ccccn1)NC[C@@H]1C[C@@]12CCc1ccccc12 87413454 MHDXMRCZSIWUJO-JXFKEZNVSA-N 306.409 3.035 0 40 DGAB COc1ccccc1-c1cc(N(C)C(=O)c2ccccc2)n[nH]1 89364957 YVMMOXHGBKTUKG-UHFFFAOYSA-N 307.353 3.362 0 40 DGAB CCO[C@@H](C)c1nccn1CC(=O)Nc1ccc(C)cc1C 89521599 RGNXMLCSIMWGQK-AWEZNQCLSA-N 301.390 3.236 0 40 DGAB Cc1ccc(F)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 95349107 KEFCEANIJWYZLV-UHFFFAOYSA-N 315.753 3.294 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@H](C)C(=O)Nc2ccccc21 95401668 SBSWNPRWBJQDLY-NSHDSACASA-N 313.357 3.033 0 40 DGAB Cn1ccnc1C[S@](=O)Cc1c(Cl)cccc1Cl 95412177 DUZXWDAORVOCGD-SFHVURJKSA-N 303.214 3.176 0 40 DGAB O=C1CCC2(CCN(Cc3ccco3)CC2)N1Cc1ccccc1 96049410 OENGPZLULLDPHZ-UHFFFAOYSA-N 324.424 3.437 0 40 DGAB C[C@]1(C(=O)Nc2ccncc2)CC(c2ccccc2Cl)=NO1 96192910 XWDCQNDPSNERHD-MRXNPFEDSA-N 315.760 3.257 0 40 DGAB COc1ccc(NC(=O)NCc2nccn2CC(C)C)cc1C 96434228 PQRXBHJQOACEIM-UHFFFAOYSA-N 316.405 3.178 0 40 DGAB O=C1OC(c2ccc(F)cc2)=N/C1=C/C1=Cc2ccccc2OC1 96935636 HYKPYLLBGQRVEO-MHWRWJLKSA-N 321.307 3.489 0 40 DGAB CCSc1ccc(C(=O)Nc2ccccc2[C@@H](C)O)cn1 97046333 MOQGZQMWGCEUQM-LLVKDONJSA-N 302.399 3.499 0 40 DGAB O=C(NCc1ccco1)[C@H]1CCCN1c1ccnc2ccccc12 97104421 KIXKTGNEZJUANE-GOSISDBHSA-N 321.380 3.113 0 40 DGAB c1ccc(-c2nc(CNc3nnc(-c4ccncc4)o3)co2)cc1 97142097 SKYVVEIEEGWAGH-UHFFFAOYSA-N 319.324 3.399 0 40 DGAB COc1ccccc1C[C@@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 100499840 GKWRYRQCYVLYOF-MRXNPFEDSA-N 323.392 3.434 0 40 DGAB CC1=C(C(=S)Nc2ccccc2)[C@H](c2ccco2)NC(=O)N1 100857965 RMFGKFLNNVZCRL-AWEZNQCLSA-N 313.382 3.347 0 40 DGAB CCn1c(=O)c2ccccc2c2c(O)nc(-c3ccccc3)n21 102909662 HGDIPRPXSIMFJM-UHFFFAOYSA-N 305.337 3.042 0 40 DGAB O=C(O)[C@]1(C(F)(F)F)CCN(Cc2ccc(Cl)s2)C1 104194244 MOGVOTURTVHYKP-JTQLQIEISA-N 313.728 3.241 0 40 DGAB COc1cc(OC)c(NC(=O)C(C)(C)F)cc1Br 162006654 AAKBYFIJTXZBRZ-UHFFFAOYSA-N 320.158 3.153 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Oc2cc(C)ccc2C)s1 222781228 MCTQXUUSSOHNTI-SNVBAGLBSA-N 323.443 3.283 0 40 DGAB C[C@@H](CS[C@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1 225702960 VDCYTIKORITDIG-CABZTGNLSA-N 303.349 3.431 0 40 DGAB CC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225789999 IXONSTCZDFQVJT-CYBMUJFWSA-N 305.296 3.468 0 40 DGAB Cc1cc(NC(=O)Cc2ccccc2)cc2sc(NN)nc12 226309227 LKKZYKANMUFOEO-UHFFFAOYSA-N 312.398 3.072 0 40 DGAB CCOC(=N)c1cc(Br)c(O)c(Br)c1 228969202 QHHLYLVSLXTNFU-UHFFFAOYSA-N 322.984 3.279 0 40 DGAB Cc1cn2c(CN(C)C(=O)[C@@H]3[C@H]4CCC[C@H]43)c(C)nc2s1 245339404 SLXMVPPQSGOATC-IMRBUKKESA-N 303.431 3.017 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3C[C@H]4CC[C@H]3C4)cc2)n1 260907983 VPXKUWAJYYUJAP-YTQUADARSA-N 323.440 3.467 0 40 DGAB Cn1cc(CN=c2[nH]c3ccccc3[nH]2)c(C2CCCCC2)n1 329940879 GKTYEBDVKVUEMS-UHFFFAOYSA-N 309.417 3.378 0 40 DGAB C[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)[C@H]2C1 409061743 HCOAZUAYCICIML-VYUIOLGVSA-N 322.327 3.280 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@@H]2CC[C@H]2c2ccc(F)cc2)cnn1C 527888331 XBVVQIFJLLFJIO-KNXALSJPSA-N 315.392 3.239 0 40 DGAB Cc1oncc1C(=O)NCc1nc(C2CCCCC2)cs1 575604667 CKWXWXCSXUIQEO-UHFFFAOYSA-N 305.403 3.417 0 40 DGAB CCCC(CCC)N1CCOC[C@@](O)(COc2ccccc2)C1 585287863 UDWXMIYZWFBRQT-LJQANCHMSA-N 321.461 3.098 0 40 DGAB COc1ccccc1CN1CCC[C@@H](COc2ccncc2)C1 1775975239 DKMXAIIOGMSIGW-MRXNPFEDSA-N 312.413 3.381 0 40 DGAB COCc1nc(-c2ccc(-c3ccc(C)cc3)nc2OC)no1 498656 HUCLFBRJIUDPLV-UHFFFAOYSA-N 311.341 3.262 0 40 DGAB OCCSC1(SCCO)c2ccccc2-c2ccccc21 1599923 QXMTYIPFGZMJOL-UHFFFAOYSA-N 318.463 3.319 0 40 DGAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 1981097 ACFPVAFLKIPOKG-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB Cc1ccccc1-c1nnc(S[C@@H]2CCCCC2=O)n1C 2664997 XEESYPMYFRSSBF-CQSZACIVSA-N 301.415 3.394 0 40 DGAB O=C1O[C@@H]([C@H]2CCCCC2=O)C(Cl)=C1Oc1ccccc1 3102168 HMKYFALCCRBFSO-FZMZJTMJSA-N 306.745 3.201 0 40 DGAB COc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)c(OC)c1 4163246 XXGVCPBQDXRTGL-UHFFFAOYSA-N 324.336 3.007 0 40 DGAB CC(=O)c1cccc(OS(=O)(=O)c2ccc(Cl)cc2)c1 4950381 PNDRWGOFDLSZDK-UHFFFAOYSA-N 310.758 3.310 0 40 DGAB CCc1ccccc1NC(=O)COc1ccccc1NC(C)=O 6064192 MOUAPULVICSENO-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3cccc(OC)c3)C2=O)cc1 7214043 TXJVSRAFPAWROU-KRWDZBQOSA-N 324.380 3.002 0 40 DGAB Cc1ccccc1CNS(=O)(=O)c1ccc2c(c1)CCCC2 8168223 PANKWZXIYLZCGG-UHFFFAOYSA-N 315.438 3.352 0 40 DGAB COc1cc(CNC(=O)C2CC2)ccc1OCc1ccccc1 8190255 HUMNKFMPRZAWCO-UHFFFAOYSA-N 311.381 3.300 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 8349299 NOLJTMBZHRDWJL-HNNXBMFYSA-N 320.396 3.409 0 40 DGAB Fc1ccc(F)c(-c2nnc3sc(-c4ccncc4)nn23)c1 9483174 YJRBDABKRIYDIV-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB C[C@@H]1CCCCN1C(=O)CCn1c(=O)oc2ccc(Cl)cc21 9925735 PPDPKKKXZKQVGG-LLVKDONJSA-N 322.792 3.039 0 40 DGAB Cc1nn(C)c(C)c1/C=C1\N=C(c2ccccc2Cl)OC1=O 9950567 HYVBVKOWBORXJG-ZSOIEALJSA-N 315.760 3.035 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CN1C[C@H](C)C[C@@H](C)C1 9997173 NGPNYDXMOMPKCK-VXGBXAGGSA-N 310.825 3.265 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCc2cccc(F)c2)c1 10406532 VOPHMOGJJFFSNK-UHFFFAOYSA-N 300.333 3.355 0 40 DGAB C[C@@H](C(=O)Nc1ccc(F)cc1F)N1CCc2sccc2C1 10767600 ABYDWEHZTCBGCR-JTQLQIEISA-N 322.380 3.412 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1ccccc1OC 11636410 WERXTGZPUDNTMY-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB CCn1nccc1C(=O)Nc1nc2c(s1)Cc1ccccc1-2 11695992 WYJYWOMHUUEAET-UHFFFAOYSA-N 310.382 3.183 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1onc2c1C[C@H](C)CC2 11915733 ZPOOOXSPYLMIPA-LLVKDONJSA-N 314.385 3.434 0 40 DGAB CCCCCCn1c(CN2CCOCC2)nc2ccccc21 12419818 CUYURJJFXLMJAT-UHFFFAOYSA-N 301.434 3.449 0 40 DGAB O=C(CSc1ncc2ccccn12)c1ccc2c(c1)OCO2 12550364 ZXWUWVSILZIIIL-UHFFFAOYSA-N 312.350 3.038 0 40 DGAB CCOc1ccccc1O[C@@H](C)C(=O)Nc1ccc(OC)cc1 12680080 AFJPWLLFXPPPCE-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB Cc1ccc(SCCC(=O)NCCCN2CCCCC2)cc1 13672756 GGAOVHVHZLDQPW-UHFFFAOYSA-N 320.502 3.469 0 40 DGAB COc1ccc(OCCNC(=O)/C=C/c2ccc(F)cc2)cc1 15615332 BEXNLOXRPSROHO-NYYWCZLTSA-N 315.344 3.043 0 40 DGAB CC(C)C(=O)N[C@@H](NCc1ccccc1)C(Cl)(Cl)Cl 19228832 PZGYGEDVFTVBLZ-GFCCVEGCSA-N 323.651 3.245 0 40 DGAB C[C@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 20009116 VWNPDOBODKGLFJ-CWSCBRNRSA-N 303.233 3.102 0 40 DGAB Cc1nc2ccccc2n1C[C@H](O)COCc1ccccc1F 21275342 SQTAXJUJAHCGDD-HNNXBMFYSA-N 314.360 3.062 0 40 DGAB C[C@H](Nc1ccc(Cl)c(C(N)=O)c1)c1nc(C(C)(C)C)no1 26995012 RNCFRZBPUPBMTP-QMMMGPOBSA-N 322.796 3.293 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)nn1C 28231101 CZNFOTOILMOSRD-CQSZACIVSA-N 308.385 3.010 0 40 DGAB CN(C)C[C@H](NCc1cnn(-c2ccccc2)c1)c1ccccc1 28317146 FNNWVDKWZQSCOX-FQEVSTJZSA-N 320.440 3.265 0 40 DGAB COc1ccc2cc([C@@H](C)C(=O)Nc3nncs3)ccc2c1 28645107 TUJRDRLYMMYUDX-SNVBAGLBSA-N 313.382 3.442 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Cl)s1 30015681 MLOQJNKTLKSECC-SSDOTTSWSA-N 306.778 3.164 0 40 DGAB O=c1c2ccc(F)cc2ncn1[C@H]1CCc2ccccc2N=C1O 36358908 BJPMREACGJBOKI-INIZCTEOSA-N 323.327 3.311 0 40 DGAB CN(C)c1ccc(CCCNC(=O)NCc2cccs2)cc1 38489643 WIONQPOJNKCGRV-UHFFFAOYSA-N 317.458 3.246 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CCCN(C(=O)C2CC2)C1 42473883 RLQJKKCUIFLPOG-NSHDSACASA-N 324.783 3.066 0 40 DGAB Cc1c(Cl)cccc1-n1ccnc1S[C@H]1CCOC1=O 43866029 QVMIVWKCVLYOLQ-LBPRGKRZSA-N 308.790 3.242 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1ccsc1 46913367 HRDYCNCXDACMEG-MRXNPFEDSA-N 317.458 3.395 0 40 DGAB O=C1C[C@@H](c2noc(-c3cccc(F)c3)n2)CN1c1ccccc1 49060259 YXBMSWLEHVIZLM-CYBMUJFWSA-N 323.327 3.396 0 40 DGAB COC(=O)c1c(-c2ccccc2Cl)noc1/C=C/N(C)C 49952260 SRHXBSJTLUSGKP-CMDGGOBGSA-N 306.749 3.314 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1ccc2[nH]c(-c3ccco3)nc2c1 58161046 KFGDMSAAYOLFTQ-LBPRGKRZSA-N 311.341 3.331 0 40 DGAB CC(C)[C@H](C(=O)N1CCCC1)n1cnc2cc(F)c(F)cc21 58218515 LTORAJBBSQFKJM-OAHLLOKOSA-N 307.344 3.134 0 40 DGAB C[C@@](O)(CCc1ccccc1)CNC(=O)c1ccc(Cl)cc1 62021427 MHOHWHGNLLUURH-GOSISDBHSA-N 317.816 3.454 0 40 DGAB CCOc1ccc(NC(=O)NCc2ccccc2CO)cc1C 65595202 OCJOKOUDGKGSFO-UHFFFAOYSA-N 314.385 3.208 0 40 DGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCC(O)CC1 69203654 JCKWLDBHCFRUSD-ODIFPOPNSA-N 318.461 3.346 0 40 DGAB CCSCCC(=O)NCCc1coc(-c2ccc(F)cc2)n1 69327932 YIFPDJWAJJAARJ-UHFFFAOYSA-N 322.405 3.283 0 40 DGAB Cc1ccccc1OC[C@@H](O)CN1CC[C@H](c2ccccc2)C1 69699501 LPLUCDBFSCNLDL-OALUTQOASA-N 311.425 3.224 0 40 DGAB O=C(Nc1nnc(-c2ccccn2)s1)[C@H]1CCc2ccccc21 69773327 CFQGZPIFJDAXLI-ZDUSSCGKSA-N 322.393 3.269 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)[S@](=O)Cc1cccc(F)c1 69818696 PCBWMVXKQUZMGM-GTJPDFRWSA-N 305.374 3.102 0 40 DGAB Cc1ccc(CN(C(=O)c2cc3ccccc3c(=O)[nH]2)C2CC2)o1 71821163 DGGLFNYFZOIXSE-UHFFFAOYSA-N 322.364 3.234 0 40 DGAB CCO[C@H]1C[C@@H](N(C)C(=O)c2cc(C(C)=O)c[nH]2)C12CCCC2 71920837 AEWQAJCYFQEGCK-CVEARBPZSA-N 318.417 3.027 0 40 DGAB COc1cc(-c2ccccc2)sc1C(=O)N1CCC(O)CC1 71945762 GZVDWZRQSFTEEF-UHFFFAOYSA-N 317.410 3.021 0 40 DGAB CCCCN1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216546 XQFDWQDXWAUIQH-GOSISDBHSA-N 316.493 3.161 0 40 DGAB COC(=O)c1cc(F)cc(OC)c1NC(=O)c1cccc(F)c1 72292783 HFKHGDXZYIFYQV-UHFFFAOYSA-N 321.279 3.012 0 40 DGAB c1ccc(CN2CCC[C@@H](c3cccc(-n4ccnc4)n3)C2)nc1 72378619 BTJLJLGTCRZOSQ-MRXNPFEDSA-N 319.412 3.042 0 40 DGAB O=C(Nc1ccccc1)N1CCOC[C@H]1c1ccc(F)cc1 74561202 OAGZSBNLWDLWGA-INIZCTEOSA-N 300.333 3.431 0 40 DGAB Cc1ccc(CC(=O)N(CC(F)(F)F)[C@@H](C)C(C)C)cn1 74583754 HCKXTAFWBWYWDI-LBPRGKRZSA-N 302.340 3.368 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2c(C)noc2C)C12CCCC2 76019462 LRDQHTIVBKKWMP-ZIAGYGMSSA-N 306.406 3.101 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1C[C@@H]1c1ccco1 84563011 YADDZJLRYNPRNQ-UONOGXRCSA-N 308.337 3.355 0 40 DGAB Cc1noc(C)c1CCCNC(=O)NC[C@H](C)c1ccsc1 84891192 MJZHYXBGHPVHLA-NSHDSACASA-N 321.446 3.388 0 40 DGAB CCc1nc(C)ncc1C(=O)N1C[C@@H](C)CN(C)c2ccccc21 89280344 QGCQEFIDTCEENI-ZDUSSCGKSA-N 324.428 3.080 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 89582350 NXLSNWPXICPBOX-UKRRQHHQSA-N 321.490 3.306 0 40 DGAB COc1ccc(Cl)cc1[C@H](C)NCc1nncn1C1CC1 89671788 PJHOAKLSHNLKDK-JTQLQIEISA-N 306.797 3.126 0 40 DGAB CCN(Cc1ccccn1)C(=O)N[C@H](c1ccccn1)C(C)C 89969302 WTCCOADPYMCJMM-KRWDZBQOSA-N 312.417 3.405 0 40 DGAB C[C@@H](NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 95412792 UMHQLGXBJKVTIL-DNOWBOINSA-N 324.465 3.232 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCOC[C@@H]1CCCO1 95422498 IPHSGRMOLAFFML-RDJZCZTQSA-N 317.429 3.218 0 40 DGAB COC(=O)c1ncccc1N1CC[C@@H](c2ccc(F)cc2)C1 95431668 YNGAZEUKBLZUPM-CYBMUJFWSA-N 300.333 3.001 0 40 DGAB COc1ncccc1C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 95443755 VZSUZORKLLGFTJ-UHFFFAOYSA-N 318.283 3.156 0 40 DGAB COC(C)(C)CNC(=O)N(C)Cc1ccc(Cl)c(F)c1 95447306 LQXHCQJTRIMSMZ-UHFFFAOYSA-N 302.777 3.046 0 40 DGAB Cc1cccc(C)c1NCC(=O)N[C@@](C)(CO)C1CCCCC1 95942058 CVCYDNBCKXGKCF-IBGZPJMESA-N 318.461 3.163 0 40 DGAB CCN(C)c1ccc(-c2noc([C@H]3CCCc4[nH]ncc43)n2)cc1 95966471 WIYHHRHPKNOJFT-AWEZNQCLSA-N 323.400 3.384 0 40 DGAB CCS(=O)(=O)CCN[C@H](C)c1cc2cc(Cl)ccc2o1 95987878 LYTWVNIFKFTIKN-SNVBAGLBSA-N 315.822 3.172 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)c2cccc(Cl)n2)no1 96001115 AJFZMWJMQAFFKU-LBPRGKRZSA-N 320.780 3.184 0 40 DGAB Clc1ccc(CN2CCOC[C@H](Oc3cccnc3)C2)cc1 96113207 AFEXSYHCHPSNQC-QGZVFWFLSA-N 318.804 3.015 0 40 DGAB biogenic,in-vitro CCSCc1cccc(NC(=O)N2CCC[C@@H](CO)C2)c1 96435252 VQJPFWNRNRPIQF-CQSZACIVSA-N 308.447 3.176 0 40 DGAB C[C@H](NC(=O)NCc1ccncc1)c1cccc(N2CCCC2)c1 96461490 NOFKSBDXFNOJKU-HNNXBMFYSA-N 324.428 3.242 0 40 DGAB C[C@H]1C[C@H](Nc2cccc(Oc3cnccn3)c2)[C@H](C)CN1C 97037313 RUEKHWQGCSDBRM-KEYYUXOJSA-N 312.417 3.410 0 40 DGAB Clc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1 100820797 OVHNKGXSBPVNEO-HNNXBMFYSA-N 309.760 3.383 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2cccc(F)c2)C1=O 101275537 KFODDFGZFFHAQR-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB COc1ccc(CNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 104712372 NQHTVOXPZRAHMH-QEJZJMRPSA-N 303.402 3.146 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N(C)C[C@H](C)c2nccs2)C1 108497188 CNVCJZAQGDZXKW-SDDRHHMPSA-N 313.492 3.172 0 40 DGAB COCCN(Cc1ccoc1)C(=O)CCc1ccccc1F 207975863 OEFGEHJELFGIGQ-UHFFFAOYSA-N 305.349 3.027 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H]1CCCO1 224232359 SNCTZJUEWDEXKJ-ROUUACIJSA-N 317.429 3.018 0 40 DGAB COc1ccc(NC(=S)NCc2cccnc2)cc1Cl 225331166 COJJTECGYASBIG-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)NCC(C)C 225693051 KRSIECVYTFEBAQ-CQSZACIVSA-N 322.424 3.115 0 40 DGAB c1ccc(CO[C@@H]2CN(Cc3ccoc3)Cc3cccn3C2)nc1 247959814 NWZJRUHUQUNOEP-LJQANCHMSA-N 323.396 3.077 0 40 DGAB CC(=O)NCc1cccc([C@H]2CCCN2CC2CCCCC2)n1 257257548 KQBOSTPEZGAJCE-LJQANCHMSA-N 315.461 3.435 0 40 DGAB O=C(c1ccc(F)c(Cl)c1)N1CCO[C@H](c2ccncc2)C1 257325964 WVFCLVQEEWYSLM-HNNXBMFYSA-N 320.751 3.088 0 40 DGAB Cc1cc(NC(=O)NCC2CCc3ccccc3CC2)n(C)n1 528870768 NPVWWVTXFNIPLW-UHFFFAOYSA-N 312.417 3.045 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccsc1)n1cccn1 575613373 GDUWXRKGTQLSCS-OZSKJFCKSA-N 323.421 3.364 0 40 DGAB C[C@H](c1cnn(C)c1)c1nc(CC[C@@H]2CC2(Cl)Cl)no1 585120228 AQLXIEHRRURPJS-PSASIEDQSA-N 315.204 3.081 0 40 DGAB c1ccc(CN2CC(n3c(C4CC4)nc4ccccc43)C2)nc1 1775974932 XSPHJEPUIXLWDU-UHFFFAOYSA-N 304.397 3.366 0 40 DGAB Cc1c(C(=O)OC(C)C)sc2ncn(CCC(C)C)c(=O)c12 148681 WVVKTPRTCYAKKD-UHFFFAOYSA-N 322.430 3.378 0 40 DGAB O=C(CC[C@@H]1CCCCO1)NCCc1nc2ccccc2s1 78967023 XQWSDKPXPWDYQW-ZDUSSCGKSA-N 318.442 3.304 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CCSCC1 78942286 WNSNYCIZHJHAPP-CYBMUJFWSA-N 322.474 3.163 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N[C@H]1CCc2c(O)cccc21 79060122 JFKNMONHQWYWKQ-RISCZKNCSA-N 314.410 3.072 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cccc(CC)c2)C1 33604246 OGGQAUICQKCLAI-AWEZNQCLSA-N 304.390 3.056 0 40 DGAB Cc1nnc2sc(-c3cccc(NC(=O)C(C)(C)C)c3)nn12 4488697 HJPHGJPUTAIAHR-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 7638164 DOHLTFPGSFPTFN-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB C[C@H](C(=O)Nc1ccc(Oc2ccccc2)cc1)n1cncn1 24749053 QHWOWRRIVJOHEB-CYBMUJFWSA-N 308.341 3.270 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1 24741573 JLLGLRNJFPKDSI-CYBMUJFWSA-N 323.352 3.280 0 40 DGAB Cc1noc(C)c1C(=O)N1CC=C(c2c[nH]c3ncccc23)CC1 55553256 FYIOAZXSUPJJOW-UHFFFAOYSA-N 322.368 3.097 0 40 DGAB CON(C)C(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 43728489 XNPMVWIWKWUBBV-QGZVFWFLSA-N 309.369 3.014 0 40 DGAB O=C(/C=C/c1ccc2c(c1)CCO2)Nc1ccc(Cl)cn1 26089120 BYHVZZSWDDYZKT-QHHAFSJGSA-N 300.745 3.322 0 40 DGAB O=C1C[C@H](c2cccnc2)c2ncn(-c3cccc(Cl)c3)c2N1 35325574 USHXPQDMWKJIJM-CQSZACIVSA-N 324.771 3.395 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccc2C[S@@](C)=O)CC[C@H]1C 108500654 JGYATWWMZLRQQN-ZNLKAECVSA-N 308.447 3.075 0 40 DGAB CCN(c1cccnc1)S(=O)(=O)c1cc(F)ccc1Cl 103495078 DJYBSKWGSGDZDR-UHFFFAOYSA-N 314.769 3.089 0 40 DGAB O=S(=O)(Nc1cccc2cnccc12)c1ccc(F)cc1 28248666 QWYKYLIMBLVJEG-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB CC(C)NC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 3290445 IPNUVZYDDZFGCJ-UHFFFAOYSA-N 313.353 3.160 0 40 DGAB CCOCCO[C@@H](C)C(=O)Nc1ccc(-c2ccccc2)cn1 58380821 AZNFOMTWXBQJIG-AWEZNQCLSA-N 314.385 3.129 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 58331109 VKEOEBJPPUEFBF-AWEZNQCLSA-N 313.397 3.170 0 40 DGAB C[C@H](NC(=O)Nc1nnc(C(F)(F)F)s1)c1ccco1 48290431 MYRWVSHINAXKLR-YFKPBYRVSA-N 306.269 3.033 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1cc(Cl)cc(Cl)c1 21888251 OILPOVLOJREIHE-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB COc1cc(OC)cc(-c2nn3c(CC(C)C)nnc3s2)c1 11278598 GAMKIFGOOIEZJV-UHFFFAOYSA-N 318.402 3.069 0 40 DGAB CCCCc1ccc(NC(=S)N2CCC[C@@H](CO)C2)cc1 2411888 HMXVOMSRSHFEDJ-OAHLLOKOSA-N 306.475 3.430 0 40 DGAB Cc1cc2c(cc1C(=O)NCc1cccs1)OCCCO2 46077735 FBYRWADEHSZQOF-UHFFFAOYSA-N 303.383 3.148 0 40 DGAB Cc1c(C(=O)CSc2nncn2C)sc2ccccc12 9155940 ULCIVFXBTMZYAU-UHFFFAOYSA-N 303.412 3.313 0 40 DGAB Cc1nc(C)c(C(=O)NCCc2c[nH]c3ccc(F)cc23)s1 13690992 OHJRSEFWJOALCH-UHFFFAOYSA-N 317.389 3.353 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@H](C)c2csc(C)n2)s1 83225924 QSWFFOPHXQGOPT-SECBINFHSA-N 324.475 3.373 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@@H](C(=O)OCC)C2)sc1C 39975849 CMDMYGDNNALFNT-CQSZACIVSA-N 323.458 3.424 0 40 DGAB Cc1cc(CN2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)no1 65487703 VHUYINKTKTYTOW-CYBMUJFWSA-N 321.446 3.311 0 40 DGAB COc1cccc(C(=S)NCc2ccccc2C)c1OC 408575539 VLOWOTNWBYPTCN-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@H]1c1ccc[nH]1 65548619 HLCVYJSBZDAAKJ-SFHVURJKSA-N 310.397 3.246 0 40 DGAB O=C(CCc1ccccc1)Nc1ccccc1N1CCCC1=O 14188620 JHRGRXRRLPFOFV-UHFFFAOYSA-N 308.381 3.385 0 40 DGAB COc1ccc2nc(NC(=O)CCc3ccco3)sc2c1 9313951 AMSAHAHCZFSEBA-UHFFFAOYSA-N 302.355 3.469 0 40 DGAB Cc1cc(C(=O)CCC(=O)OCC(=O)c2ccc[nH]2)c(C)s1 4883389 KQEWGXDHHCOTCU-UHFFFAOYSA-N 319.382 3.082 0 40 DGAB O=C(Nc1cc(-c2ccccc2)no1)[C@H]1COc2ccccc2O1 9306228 ZYOGVYXIWVXJBN-MRXNPFEDSA-N 322.320 3.120 0 40 DGAB CCc1ccsc1C(=O)Nc1ccccc1-c1nncn1C 68725425 VIAFTFHKHADZCQ-UHFFFAOYSA-N 312.398 3.358 0 40 DGAB O=C(OCCOc1ccc(Br)cc1)c1cccnc1 16694875 BRJSTXFYXZXAOD-UHFFFAOYSA-N 322.158 3.080 0 40 DGAB C[C@H](NC(=O)CNC(=O)c1ccccc1)c1cc2ccccc2o1 8237491 FIHICPIGXXSVFH-ZDUSSCGKSA-N 322.364 3.040 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](c2nc(C)cs2)C2CC2)cc1 96425442 YYSKRFZSYCYSKK-MRXNPFEDSA-N 316.426 3.406 0 40 DGAB CC(C)C(=O)NC[C@H]1CCCN(C(=O)CCC2CCCCC2)C1 69530310 DJTMBJUWNXDSIH-QGZVFWFLSA-N 322.493 3.358 0 40 DGAB C[C@H](N(C)C(=O)[C@H](c1c(F)cccc1F)N(C)C)C1(C)CC1 91932252 DEHWJUBJLJRMAM-NHYWBVRUSA-N 310.388 3.215 0 40 DGAB C[C@H](NCc1coc(-c2cccs2)n1)[C@@H](C)n1cccn1 69951946 GMLWFJVXRYILIH-NWDGAFQWSA-N 302.403 3.339 0 40 DGAB CCc1nc2nc(C)c(Cc3ccc(C(C)C)cc3)c(O)n2n1 18223217 KODCPOSXLFJZQO-UHFFFAOYSA-N 310.401 3.415 0 40 DGAB COc1ccccc1CN(C)C(=O)CCc1cccc(F)c1 96991859 WJTJKADRUCDMHK-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB Cc1cccc(CC(=O)Nc2cccc(C[S@](C)=O)c2C)c1 72286787 TWOUYORPMPRXRF-JOCHJYFZSA-N 315.438 3.363 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1Br)C1CC1 84636349 QNYVOFSWXUJYNV-BIMULSAOSA-N 308.219 3.467 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)[C@H](O)c3ccccc3)ccc21 95446374 CKDHBFKYKGYTSP-QGZVFWFLSA-N 321.380 3.123 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccoc1)c1ccc(Cl)c(F)c1 95989782 RZIIGWXIRXNDQA-GFCCVEGCSA-N 311.696 3.018 0 40 DGAB Cc1c(NCC(C)(C)C)cccc1C(=O)NCc1ccno1 95992923 ZHAZLLURCRRGHP-UHFFFAOYSA-N 301.390 3.371 0 40 DGAB CCCn1nc(C)c(CNCc2cccc(NC(C)=O)c2)c1C 89960638 UEFSPSXNMFAUMA-UHFFFAOYSA-N 314.433 3.158 0 40 DGAB C[C@H](CC(=O)N1CCC(F)(c2ccccn2)CC1)n1cccc1 519699794 BKEIYKFJCIKHEG-OAHLLOKOSA-N 315.392 3.322 0 40 DGAB COc1ccccc1OC(=O)c1cnc2c(cnn2C(C)C)c1 32868772 PPJQWMZMQRNATH-UHFFFAOYSA-N 311.341 3.240 0 40 DGAB Nc1ccc(OCc2ccc(Br)cc2)c(C(=O)O)c1 37289648 YMPOGEAEHGTJPQ-UHFFFAOYSA-N 322.158 3.309 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccncc1)c1cccs1 71195697 MIYVEBJPGUSZFQ-CQSZACIVSA-N 324.409 3.136 0 40 DGAB O=C(NC[C@@H](O)Cc1ccccc1)c1cccc2ccccc12 70639225 GZHSGWYNPTVZQU-KRWDZBQOSA-N 305.377 3.173 0 40 DGAB O=S(=O)(c1cccc(COc2ccccc2)c1)N1CCCC1 72264773 YFGPSYJRJADSHA-UHFFFAOYSA-N 317.410 3.050 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C)c1 222986824 KBTXDTWBIBXXFP-JKSUJKDBSA-N 314.458 3.193 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CN1CCN(CC2CCOCC2)CC1 191070387 AFOGZAPMVILIHU-MJGOQNOKSA-N 306.494 3.023 0 40 DGAB Cc1cnc(NC(=O)C[C@@H](CC(=O)O)c2ccc(F)cc2)s1 226750843 NLQDJOJLKBRFLC-NSHDSACASA-N 322.361 3.178 0 40 DGAB Cn1ccc2cc(C(=O)Nc3ccc4c(c3)OCCO4)ccc21 40268105 FQPPXRQGGZJHMT-UHFFFAOYSA-N 308.337 3.202 0 40 DGAB CCCOc1cccc(C(=O)Nc2cc(N)ccc2N(C)C)c1 226261535 ZYGKWXGCNPQCRF-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB CCc1nc2ccc(NC(=S)N[C@H](C)COC)cc2s1 225208246 XYWDNMAAIMKBGV-SECBINFHSA-N 309.460 3.180 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)N[C@H]1CCC[C@@H](C(F)(F)F)C1 192366516 LXTBTXBKUHWOBS-MNOVXSKESA-N 323.355 3.346 0 40 DGAB Cc1ccc(S(=O)(=O)Cc2csc([C@H]3CCCO3)n2)cc1 96483407 CLNQTEZFDMEVOV-CQSZACIVSA-N 323.439 3.277 0 40 DGAB CCCCSCCC(=O)N1CCC(n2cc(C)cn2)CC1 96417042 GVUNRALYSCNPFB-UHFFFAOYSA-N 309.479 3.278 0 40 DGAB CC(C)N1c2sc(-c3ccsc3)nc2C[C@@H]1C(=O)N(C)C 96264480 ABFARADTUNSCPT-GFCCVEGCSA-N 321.471 3.099 0 40 DGAB Cc1cc([C@H](C)NCC(=O)Nc2c(C)nn(C)c2C)c(C)s1 97373652 CPHYAFPVKHNKIM-JTQLQIEISA-N 320.462 3.005 0 40 DGAB Cc1nccn1CCCC(=O)Nc1ccnn1[C@@H](C)CC(C)C 96420485 TZBBAAWKKRHYBE-AWEZNQCLSA-N 317.437 3.414 0 40 DGAB C[C@H](N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)c1ccc(-n2ccnc2)cc1 96478264 KBRYSUMOMQJQTO-RUGDWHBFSA-N 311.429 3.336 0 40 DGAB Cc1ccc([C@H]2C[C@@H](C)CCN2C(=O)c2cn(C)nc2C)o1 96433207 PXZRQCLTNPYVHO-XHDPSFHLSA-N 301.390 3.243 0 40 DGAB COc1ccc(CN2Cc3cc4c(cc3[C@H](O)C2)CCC4)cc1 95470457 BMPYXBWTVXCMFX-HXUWFJFHSA-N 309.409 3.233 0 40 DGAB c1cnc2ccc(CN3CCC[C@@H](Cc4ccn[nH]4)C3)cc2c1 257246448 IUEUALPPSSKHED-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB O=C(N1CC[C@H](c2ccn[nH]2)C1)C1(c2ccccc2)CCCC1 257211014 BXCSGGJCNPOFHO-HNNXBMFYSA-N 309.413 3.238 0 40 DGAB CO[C@H](CNC(=O)NCc1cccs1)c1ccccc1C 96105178 SIXPDQAAMVKHIQ-OAHLLOKOSA-N 304.415 3.243 0 40 DGAB C[C@H]1C[C@H]1C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 69382119 XEJFLIJANKZMNC-XHDPSFHLSA-N 321.336 3.360 0 40 DGAB Clc1ccccc1-c1nnc(SCCCc2ncno2)o1 71916393 AVBKNWOUIIGILV-UHFFFAOYSA-N 322.777 3.498 0 40 DGAB O=C(CCc1cscn1)N1CC[C@H](Cc2ccc(F)cc2)C1 76514333 HMFPCKGCWYVEBL-CQSZACIVSA-N 318.417 3.306 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)cn1 85490008 ZSCMNWDFXPFULH-GOSISDBHSA-N 322.408 3.197 0 40 DGAB OCCN(Cc1ccsc1)c1nc(C(F)(F)F)cs1 96482711 FRIAGDSFKQELHA-UHFFFAOYSA-N 308.350 3.222 0 40 DGAB CO[C@@H](CNC(=O)c1cccc(C(F)(F)F)c1)c1ccco1 206860669 MGABYWKLIXSYGU-ZDUSSCGKSA-N 313.275 3.416 0 40 DGAB O=C(NCC1CCN(C2CCCC2)CC1)c1ccccc1F 23014467 OPDFDPVMTTWJAI-UHFFFAOYSA-N 304.409 3.210 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCCc1ccsc1 13725435 CECTYBZZQUSCRQ-UHFFFAOYSA-N 315.847 3.064 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCC(c2nnc(C3CC3)o2)CC1 44098396 RSTQQHBMZWMRHN-RMKNXTFCSA-N 323.396 3.366 0 40 DGAB Cc1cc(C)n([C@H](CNC(=O)c2ccco2)c2ccsc2)n1 575613681 KCCAKLHQFYMJHT-CQSZACIVSA-N 315.398 3.174 0 40 DGAB O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1C[C@@H]1CCCO1 15517127 UEGATGGLCDXCDY-YJBOKZPZSA-N 324.380 3.138 0 40 DGAB O=C(Nc1ccccc1)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 10446312 ZEGNGALLJFHQHJ-OAHLLOKOSA-N 312.413 3.220 0 40 DGAB O=C(NCCC(=O)N1CCCCc2ccccc21)C1CCCC1 40133941 GABRKDFNUWJAPW-UHFFFAOYSA-N 314.429 3.052 0 40 DGAB Cc1c(-c2nc(-c3cccs3)no2)sc2nc[nH]c(=O)c12 40478824 JCPHBYGDUFQMSY-UHFFFAOYSA-N 316.367 3.072 0 40 DGAB CCc1ccc(-c2nnn([C@@H](C)C(=O)Nc3ccccc3)n2)cc1 31763649 QGVYHWDAJXYPMR-ZDUSSCGKSA-N 321.384 3.102 0 40 DGAB CN(C(=S)NC(=O)c1ccc(Cl)cc1)c1ccccc1 343151 IHECJCKKMFERCH-UHFFFAOYSA-N 304.802 3.491 0 40 DGAB CS(=O)(=O)c1cccc(Oc2nc3ccccc3s2)c1 52332883 YRLZOYKZTAYMAV-UHFFFAOYSA-N 305.380 3.492 0 40 DGAB CCN(CC)c1ccc(CNCC2=Cc3ccccc3OC2)cn1 102423611 ZOFUELBXARGABA-UHFFFAOYSA-N 323.440 3.493 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2ccccc2-n2nc(C)cc2C)c1 32828324 VXDSKTYBOUIAGP-UHFFFAOYSA-N 322.368 3.272 0 40 DGAB Nc1nc(Nc2ccccc2)nc(-c2cc(Cl)ccc2O)n1 405424 GLZDHSRHLCFCED-UHFFFAOYSA-N 313.748 3.223 0 40 DGAB in-vitro COC(=O)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 18264537 KEPDATGAKRDIHP-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB Cn1ccs/c1=N\C(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103196109 GUUDRQHFPXLMGU-MAMYZDCLSA-N 310.850 3.092 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)on1 76067122 FMJHENUGPBRFRI-CYBMUJFWSA-N 302.399 3.237 0 40 DGAB Cc1cc(CN2CCC[C@@H](c3cc(C(F)(F)F)[nH]n3)C2)no1 78900993 LLLQLKZQTIFAQS-SNVBAGLBSA-N 314.311 3.105 0 40 DGAB Cc1cc(C)nc(SCCSc2nc(C)cc(C)n2)n1 3019214 SMVKBSKAMJJBTP-UHFFFAOYSA-N 306.460 3.385 0 40 DGAB CC(C)(Br)C(=O)NC12CC3CC(CC(C3)C1)C2 4280718 IOKOGKRBNVSSDI-UHFFFAOYSA-N 300.240 3.245 0 40 DGAB CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(C)cc2)c1C 4298861 SDKBOVKUNSXVMJ-UHFFFAOYSA-N 318.398 3.376 0 40 DGAB Cc1nc(CCNC(=O)c2ccc(OC(F)F)cc2)cs1 22761495 RTERJXJQEIRLOM-UHFFFAOYSA-N 312.341 3.025 0 40 DGAB Cn1ccnc1[C@@H](NCc1ccsc1)c1cccc(F)c1 42204359 DSHVEBHWHNWATM-HNNXBMFYSA-N 301.390 3.500 0 40 DGAB Cc1cnc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)s1 23055326 VLZRZQUJVBYILQ-AWEZNQCLSA-N 318.398 3.262 0 40 DGAB O=C(c1ccccn1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 23229272 URQDJPGFZWRALF-UHFFFAOYSA-N 324.380 3.395 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@H]1C(=O)N(CCc3ccccc3)C(=O)[C@H]21 100631053 RNHYQCCLWKGTBH-CWLKWCNXSA-N 309.409 3.207 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccccc3C)CC2)cc1F 23440187 NTXLIRNUMKDDHH-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@H](c2ccccc2F)C1(F)F 3185369 GHEVECZDQNIICI-CQSZACIVSA-N 321.254 3.278 0 40 DGAB C[C@@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(F)cc1 23893048 MKNMSIYLKKLWSU-ZCFIWIBFSA-N 306.288 3.003 0 40 DGAB COc1cc(C)c([C@@H](C)NC(=O)Nc2nccs2)cc1OC 43160082 GOEFXJBDXMWCQV-SNVBAGLBSA-N 321.402 3.351 0 40 DGAB Cc1cc(C(=O)NC[C@@H](C)N2CCc3ccccc3C2)c(C)o1 25634689 BTSUDRRVLQTIBR-CYBMUJFWSA-N 312.413 3.073 0 40 DGAB Cc1ccc(C)n1-c1c(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)cnn1C 107493339 CRNVCKKFSDDOMP-OFQRWUPVSA-N 313.401 3.173 0 40 DGAB O=C(c1ccccc1OC[C@H]1CCCO1)N1C[C@H]2CCC[C@H]2C1 107589156 ZDMSQYFJVARUOZ-OWCLPIDISA-N 315.413 3.117 0 40 DGAB CC[C@@H](NC(=O)c1cc(C2CC2)on1)c1ccc(OC)cc1 26746157 SHMCTCXBWACBDP-CQSZACIVSA-N 300.358 3.442 0 40 DGAB CCCc1noc([C@H](C)Nc2cccc(N3CCCC3=O)c2)n1 26984711 PNOPXPWRLTXQNJ-LBPRGKRZSA-N 314.389 3.322 0 40 DGAB CCCCNC(=O)C[S@](=O)Cc1ccc(Cl)cc1Cl 58198196 KBXBOCHAKHFWGW-IBGZPJMESA-N 322.257 3.158 0 40 DGAB Cc1c(Br)cc2c(c1C)OC[C@H](N1CCCC1)C2=O 55125447 MYQZJAUPPHTWMK-ZDUSSCGKSA-N 324.218 3.105 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 108860289 LNDBOYAKFWSGQU-YHUYYLMFSA-N 317.429 3.405 0 40 DGAB CCC(=O)N1CCCC[C@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 58263772 UFSMLAOWLDBNTC-WFASDCNBSA-N 322.474 3.333 0 40 DGAB Cc1nccn1CCCNC(=O)Nc1ccc(OC(F)F)cc1 58264183 GKQNOCKCLSLBLR-UHFFFAOYSA-N 324.331 3.005 0 40 DGAB FC(F)(F)c1nnc2sc(Cc3ccccc3Cl)nn12 2182934 BIAPILBTWGRNHR-UHFFFAOYSA-N 318.711 3.449 0 40 DGAB c1ccn(C[C@@H]2CC[C@H]3[C@H]2OCCN3Cc2ccsc2)c1 107747408 SARPCIGFHPLUPT-ULQDDVLXSA-N 302.443 3.229 0 40 DGAB COc1ccc(CNC(=O)Cc2c(F)cccc2Cl)cc1 3411878 BRWZLEIJWVYHLS-UHFFFAOYSA-N 307.752 3.347 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@H]1COc2ccccc2O1 3559738 RWZAIHHFBKOVIK-CYBMUJFWSA-N 312.350 3.075 0 40 DGAB O=S(=O)(c1cc(F)cc(F)c1)N1CCC[C@@H]1c1ccccc1 12915785 SYNJEMDWHWWTMR-MRXNPFEDSA-N 323.364 3.491 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)c(OC)c1 12924239 WUFMGJCZVJWHLG-CABZTGNLSA-N 318.398 3.422 0 40 DGAB Cc1ccc(C)c(NC(=O)N2CCN(Cc3ccco3)CC2)c1 13323278 QSIJXVXUQQPUIW-UHFFFAOYSA-N 313.401 3.246 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(C(=O)N(C)C)cc1 13625132 XUOXYLPNQQGMSH-UHFFFAOYSA-N 312.369 3.039 0 40 DGAB COC(=O)c1oc(CN2CCC[C@H](C(F)(F)F)C2)cc1C 65564756 UXPVPOSUGLGAKU-JTQLQIEISA-N 305.296 3.149 0 40 DGAB C[C@H](O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 4660764 SKXNDWHMFPVEGT-JTQLQIEISA-N 311.790 3.194 0 40 DGAB COc1ccc(/C=C/C(=O)O[C@H]2CCCC[C@H]2CN(C)C)cc1 5524618 YFCDMEJSQRDGGK-BSECCWRJSA-N 317.429 3.372 0 40 DGAB Cc1ccc(C[C@H](NC(=O)[C@@H]2OCC[C@H]2C)c2cccnc2)cc1 95426775 MOABRCJVRGZOLA-AYOQOUSVSA-N 324.424 3.215 0 40 DGAB Cc1ccc(NC(=O)[C@H](NC(=O)c2cccs2)C(C)C)cc1 7127488 MXGMIGWQPDSPIS-OAHLLOKOSA-N 316.426 3.450 0 40 DGAB COc1ccc(CCNC(=O)c2cc3ccccc3[nH]2)cc1OC 8135770 AEXOCPBYWIDMSH-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB CC[C@H](Sc1nncn1C1CC1)C(=O)c1ccc(OC)cc1 70037871 RBSRHLMDSMMIGR-AWEZNQCLSA-N 317.414 3.375 0 40 DGAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCc1ccccc1)C3 20610411 MHFYUHFVLQMAJF-UHFFFAOYSA-N 321.376 3.496 0 40 DGAB biogenic Nc1c(Br)cc(SCCO)c(Cl)c1Cl 22124705 YTLLXPRPAJTCPZ-UHFFFAOYSA-N 317.035 3.423 0 40 DGAB CCn1cc(CN(C)C(=O)/C=C/c2ccc(Cl)cc2)cn1 28222065 PSNQWPPWWVQMQL-RMKNXTFCSA-N 303.793 3.228 0 40 DGAB O=C(C=C1CCCCC1)N[C@@H](Cn1cncn1)c1ccccc1 69919830 JDEHSCMZFVSJLJ-KRWDZBQOSA-N 310.401 3.026 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@@H]3c3cnn(C)c3)c[nH]c12 71856838 XHQQBFHDKQTRLB-QGZVFWFLSA-N 322.412 3.441 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)C(C)C)c(Cl)c1 71970625 WMMKXNOWAHONOC-CQSZACIVSA-N 308.809 3.234 0 40 DGAB Fc1cc(Cl)cnc1N[C@H]1CCO[C@@]2(CCSC2)C1 95426384 IHXAZRZIDABUGC-GWCFXTLKSA-N 302.802 3.341 0 40 DGAB CC(C)(C)[S@@](=O)CCNCc1ccccc1C(F)(F)F 72286934 XASFSLMPZSFPHD-HXUWFJFHSA-N 307.381 3.342 0 40 DGAB CC(C)c1nc(CC(=O)Nc2ccc(F)c(C(=O)O)c2)cs1 89893547 LLZLUCFMPRDDBN-UHFFFAOYSA-N 322.361 3.285 0 40 DGAB CCOc1ccc(-n2cc(C(=O)O)c3ccccc3c2=O)cc1 67172484 BFGVOSNAMFKVTR-UHFFFAOYSA-N 309.321 3.088 0 40 DGAB CC1(C)COc2cc(NCc3cc(C(N)=O)cs3)ccc21 527745557 RVUDKKSQQOYNFG-UHFFFAOYSA-N 302.399 3.129 0 40 DGAB C[C@H](NCc1noc(-c2ccccc2F)n1)[C@@H]1C[C@H]1C1CC1 529554505 CBAHNDZVBWEMBI-BPNCWPANSA-N 301.365 3.400 0 40 DGAB CN(C(=O)NC[C@H](c1ccccc1)N1CCCC1)C1CCC1 73415463 GHNOJRKNBCXUSN-QGZVFWFLSA-N 301.434 3.017 0 40 DGAB CC(=O)N1CCCC[C@H]1c1cnc(N2CCCCC2)cc1C 72219254 SKABCDFQVVFAHV-KRWDZBQOSA-N 301.434 3.454 0 40 DGAB COc1cccc2cc(C(=O)NCCOc3ccccc3)oc12 73873472 AFYFIDLZXDLQBF-UHFFFAOYSA-N 311.337 3.250 0 40 DGAB Cc1nc(C(=O)Nc2cnccc2N2CCCCC2)cs1 79041087 SAJSEDGGLHCLDV-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB Cn1cc(NC(=O)CCn2ccc3c(Cl)cccc32)cn1 79492322 XKDVIUQFTIEBIG-UHFFFAOYSA-N 302.765 3.057 0 40 DGAB Cc1ccc(Cl)cc1-n1nnc(C(=O)NC2CCCC2)c1C 39975921 DIKPUCVEFPJGTC-UHFFFAOYSA-N 318.808 3.210 0 40 DGAB N[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72228170 MZOUVGASVLXEPC-LSDHHAIUSA-N 320.314 3.116 0 40 DGAB O=C(NCC1CCC(c2nc3ccccc3[nH]2)CC1)c1ccno1 44442023 NWJQEDPPFIZWMD-UHFFFAOYSA-N 324.384 3.255 0 40 DGAB Cc1cncc([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 72369412 UOEHXLGGNAVKGG-GOSISDBHSA-N 321.424 3.440 0 40 DGAB O=C(Nc1cc(F)cc(F)c1Br)C1CCOCC1 189058515 ICEQEJIOMHYUJX-UHFFFAOYSA-N 320.133 3.092 0 40 DGAB CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222733524 MBEDRCQXNOKEBM-HUUCEWRRSA-N 314.458 3.240 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCC2=CCCCC2)c(C)c1 225101123 ZYJIWKDJQUJGFB-UHFFFAOYSA-N 309.431 3.091 0 40 DGAB COc1ccc(NC(=S)NCc2cccc(F)c2)c(OC)c1 225836592 BXOWYONTSUETJF-UHFFFAOYSA-N 320.389 3.330 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccnc1 225585037 QOVGJKXGQKICOT-OAHLLOKOSA-N 306.479 3.023 0 40 DGAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C1CCCC1)C2 225489617 NFAOPMJLRCUFJV-INIZCTEOSA-N 300.402 3.469 0 40 DGAB biogenic,in-vitro CCOC(=O)[C@@H]1CC(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957975 DIGAELVOZJPIDJ-SXUGBLPRSA-N 319.445 3.003 0 40 DGAB CC(C)(C)c1cc(NC(=O)N[C@H](CCO)c2cccs2)no1 96420190 QBFBFGOVJMGSOR-SNVBAGLBSA-N 323.418 3.279 0 40 DGAB Cc1cc(NC(=O)NCCCn2ccnc2)ccc1OC(C)C 96435287 ZVMLVLSUEWWHNZ-UHFFFAOYSA-N 316.405 3.191 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1CC[C@@H]2O 247661703 SOQWQZZNPGBTQR-KVEHWWTOSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro O=C(O)C1(Cc2ccc(-c3ccncc3)cc2F)CCOCC1 257324315 WOCXYIVVGFAUSH-UHFFFAOYSA-N 315.344 3.312 0 40 DGAB CCn1nccc1-c1cc(CC2CCN(C(C)C)CC2)ncn1 257292043 QJSISEFWRJRCQP-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB NC(=O)/C=C\c1ccc(-c2ccc(F)cc2Br)o1 352064355 KPHGRGTWBQVDNJ-UTCJRWHESA-N 310.122 3.347 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@H]1CCc1ccncc1 257203522 AQLKKEIWTUWJKS-INIZCTEOSA-N 300.427 3.309 0 40 DGAB Cc1cnc(CNc2ncnc3sc4c(c23)CCCC4)nc1 562963076 CKAMLRWEGHDBPH-UHFFFAOYSA-N 311.414 3.281 0 40 DGAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@H]1CC=CCC1 69587774 ODCZNOKLXVDKMH-ZDUSSCGKSA-N 314.360 3.496 0 40 DGAB COc1c(C)cnc(CN2CCC[C@@H](c3cc(C)[nH]n3)C2)c1C 84111290 HIUJZWZECMKKGM-OAHLLOKOSA-N 314.433 3.118 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(Cl)c1 84714918 JDSSHSRMXBDRBV-MLGOLLRUSA-N 306.837 3.077 0 40 DGAB CCCc1ccc(C(=O)Cn2cnc3ccccc3c2=O)cc1 5316158 DRWAUMGFFPHXQJ-UHFFFAOYSA-N 306.365 3.232 0 40 DGAB CCCC(=O)Nc1cccc(-c2cn3nc(OC)ccc3n2)c1 12441163 XYKQOJPUCBWUST-UHFFFAOYSA-N 310.357 3.144 0 40 DGAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)c1ccco1 17169637 UAICUJHRRZBDAZ-UHFFFAOYSA-N 304.252 3.143 0 40 DGAB Cc1cc(C)cc(OCCn2nnc(-c3cccc(F)c3)n2)c1 23075273 ZYBHHHXMRNXZAR-UHFFFAOYSA-N 312.348 3.175 0 40 DGAB O=S(=O)(NCc1ccc(F)cc1)c1ccc(F)c(Cl)c1 6315086 MRAPYDSFHGIFRP-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB CC(C)(CNS(=O)(=O)Cc1ccccc1)c1ccsc1 1565519453 UACZJIKKVGRLOM-UHFFFAOYSA-N 309.456 3.145 0 40 DGAB O=C(NCCOc1cccc(F)c1)[C@@H]1Cc2ccccc2S1 40089134 XVJPKICLRQZMPE-INIZCTEOSA-N 317.385 3.038 0 40 DGAB COC(=O)c1ccc(F)c(NC(=O)NCc2ccc(F)cc2)c1 40120932 MAXGIYOZCGELBK-UHFFFAOYSA-N 320.295 3.073 0 40 DGAB CC(C)(C)c1nnc(NC(=O)c2csc(NC3CC3)n2)s1 40268783 BMNWCJPJMRUXET-UHFFFAOYSA-N 323.447 3.119 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCO[C@H](c2ccc(F)cc2)C1 31177895 MDEVQUNNKKAIIX-HNNXBMFYSA-N 322.767 3.031 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)Cc1ccccc1OC 136797 IJFAMOBCCADAGP-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2S(=O)(=O)Cc2ccccc2)C1 101214162 NQDOMBRQXKSSNQ-DOTOQJQBSA-N 307.459 3.417 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)C2CCCC2)cc1Cl 32644445 SALRAFZPBNPQKZ-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB C[C@@H](NC(=O)c1cccc(C[S@](C)=O)c1)c1ccccc1 32853823 GHSFRSRCWMRADU-LRTDBIEQSA-N 301.411 3.056 0 40 DGAB O=C(c1cccc(Br)c1)N1CCOc2ccccc21 33167901 ZOFBMMUJXMPDMF-UHFFFAOYSA-N 318.170 3.488 0 40 DGAB Cc1ccnc(NS(=O)(=O)c2ccc(CC(C)C)cc2)c1 248932 UWCJBZQBRUQJTF-UHFFFAOYSA-N 304.415 3.389 0 40 DGAB COc1cccc(C(=O)Nc2nc3c(s2)CCCC3)c1OC 2761751 FSGXIKCGLBNOKA-UHFFFAOYSA-N 318.398 3.291 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)c2nc3nccc(C)n3n2)cc1 3369230 CZTNCJYVKNUKQY-LLVKDONJSA-N 309.373 3.199 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)COC(=O)c1ccccc1O 3571299 VGNVLRWGOYTDRG-UHFFFAOYSA-N 309.321 3.222 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccco1 5373963 DFICJIDLHWGKSN-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB COc1ccc(OS(=O)(=O)c2cc(Cl)ccc2C)cc1 6216060 OVEHLMDPTSYQIB-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCc1ccccc1Cl 6566280 IHMHSVFINKJHSI-ZHACJKMWSA-N 307.802 3.430 0 40 DGAB COc1ccccc1CN(C)[C@H](C)C(=O)NCC1CCCCC1 6602123 MUBZALUDFYHDRK-OAHLLOKOSA-N 318.461 3.212 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(C)cc1 8478292 CBFHRLUTKJGZST-MRXNPFEDSA-N 313.397 3.477 0 40 DGAB Cc1ccc(-n2nc(CSc3nnc(C)s3)cc2O)cc1 10157345 XBPCIVPSSOCJSM-UHFFFAOYSA-N 318.427 3.339 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)c1cccc(OC)c1 10543026 KTQHYOGFMBPJIE-MRXNPFEDSA-N 304.434 3.080 0 40 DGAB CCN(CC)C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O 11596810 DHPSTAISBNYZNX-GFCCVEGCSA-N 312.822 3.011 0 40 DGAB Cc1cc(C(=O)CCC(=O)Nc2ncccc2O)c(C)s1 12545496 SKVYRUOSTIUUIG-UHFFFAOYSA-N 304.371 3.067 0 40 DGAB C[C@@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 15745046 IDVYREZJSNKHAZ-PLWJUESGSA-N 309.365 3.348 0 40 DGAB COc1ccccc1CN1CCN(C[C@@H]2C[C@@H]3C=C[C@H]2C3)CC1 19359416 UOKVAMYHHWWGJP-AOIWGVFYSA-N 312.457 3.025 0 40 DGAB CCOc1cccc(CNC(=O)/C=C/c2ccc(OC)cc2)c1 19931883 AGKMWINFUGYBLN-FMIVXFBMSA-N 311.381 3.424 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(F)ccc2C)cc1C 20029916 KHTWLXHFVRBOSR-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)c(Cl)c1 20139410 VAODYRWFEFFMGJ-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB COc1ccc(CN2CCN(CCCc3ccccc3)CC2)cc1 20248660 CBGGTJGADYKOMY-UHFFFAOYSA-N 324.468 3.446 0 40 DGAB C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Nc1nncs1 21214344 NGDFYAMYUVGSDO-SNVBAGLBSA-N 305.403 3.242 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)Cc2c(C)noc2C)cc1 21623489 HNHCIVDDTJWWIR-QGZVFWFLSA-N 314.385 3.206 0 40 DGAB O=C(CSc1ccccn1)NCC1(c2ccccc2)CCC1 23189895 SKJPOBQRAIWHDR-UHFFFAOYSA-N 312.438 3.412 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCCO3)o1 23496454 RLCMVIGPWLMEOD-UHFFFAOYSA-N 321.760 3.285 0 40 DGAB Oc1nnc(-c2cccs2)c2sc(N3CCCC3)nc12 26421195 GLKHIOUBCPKRJQ-UHFFFAOYSA-N 304.400 3.121 0 40 DGAB CCn1cc(Cl)c(C(=O)N[C@@H]2CCCc3ccccc32)n1 28222888 MYQHVTHUPGJPAW-CQSZACIVSA-N 303.793 3.364 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(Cn3nc(C)cc3C)o2)c1 28235719 AFIXZBBBMOZNPZ-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C)C2)c2cnn(C(C)C)c2n1 29509985 FFXUQQCUZWSHJR-LBPRGKRZSA-N 300.406 3.193 0 40 DGAB Cn1ccc(C(=O)CSc2ccc(C(F)(F)F)cn2)c1 34990714 JQLPZFFASYPHEF-UHFFFAOYSA-N 300.305 3.414 0 40 DGAB O=C(O)c1ccc(-c2cccc(I)c2)o1 36929551 ISKITXSVIGBIGE-UHFFFAOYSA-N 314.078 3.249 0 40 DGAB Cc1cc(C(=O)N(Cc2ccsc2)Cc2ccco2)no1 44446233 PXOZBRFYUJKOSD-UHFFFAOYSA-N 302.355 3.480 0 40 DGAB CC(C)(C)C(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 44907820 PNDQOKFYNIOORH-UHFFFAOYSA-N 324.424 3.170 0 40 DGAB COCc1cccc(CNC(=O)c2c(C)noc2C(C)C)c1 47026541 TVNNUKHCUFWPPW-UHFFFAOYSA-N 302.374 3.183 0 40 DGAB O=C(Nc1cccnc1)[C@H]1CCCN(Cc2cccc(F)c2)C1 48313090 FEKDGKJTINBVAO-HNNXBMFYSA-N 313.376 3.071 0 40 DGAB O=C(CCc1ccccc1Cl)NCCc1ccc(O)cc1 54632001 AFLUBHJFFSTJCC-UHFFFAOYSA-N 303.789 3.337 0 40 DGAB CCn1c(CNC(=O)C=C(C2CC2)C2CC2)nc2ccccc21 55040194 MNUKVCBODNQGCL-UHFFFAOYSA-N 309.413 3.419 0 40 DGAB COc1cccnc1NC(=O)[C@H](C)SCc1ccccc1 58195297 JYCREGIHYXOUQA-LBPRGKRZSA-N 302.399 3.351 0 40 DGAB CN(Cc1ccccc1)C(=O)COc1cccc2cccnc12 61576479 KQIZTLODKWGAEP-UHFFFAOYSA-N 306.365 3.272 0 40 DGAB Cc1ccc(NC(=O)c2ccc(Br)cn2)c(C)c1O 61873811 MNYATXUUJNMPMP-UHFFFAOYSA-N 321.174 3.419 0 40 DGAB Cc1cccn2c(CN[C@H](C)CCc3ccc(O)cc3)cnc12 65393445 SBBSSNYUTQSZNV-OAHLLOKOSA-N 309.413 3.459 0 40 DGAB CCOC(=O)c1oc2ccccc2c1CNC(=O)C1CCCC1 65536296 ADJXAOZBGKIXJK-UHFFFAOYSA-N 315.369 3.416 0 40 DGAB COc1cccc(NC(=O)NCc2ccc(-n3ccnc3)cc2)c1 66888202 SDELUBVBSJTGJJ-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB CCN(C(=O)Nc1cc(C)no1)[C@@H](C)Cc1ccc(OC)cc1 66907546 GLCPYUSEBCTZFE-ZDUSSCGKSA-N 317.389 3.477 0 40 DGAB O=C(Nc1ccn(Cc2ccccc2)n1)c1cccc2[nH]ncc12 69581408 LSZPYVMMCQQIIV-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB Cc1ccc(NC(=O)N2CCCC[C@@H]2C2OCCO2)c(Cl)c1 69623654 GBRJYMUGNOUVJD-CQSZACIVSA-N 324.808 3.408 0 40 DGAB CCCC(=O)O[C@H](C)c1nc2ncc(Br)cc2[nH]1 69629439 PUKZHUDNXSSWRC-SSDOTTSWSA-N 312.167 3.125 0 40 DGAB O=C(c1ccccc1O)N1CCO[C@@H](c2ccccc2Cl)C1 69653941 UFNRXFFQAGVYPS-MRXNPFEDSA-N 317.772 3.259 0 40 DGAB Cc1cnn(C[C@@H](C)N[C@@H](C)c2nnc(-c3cccs3)o2)c1 69739183 WBUZNKKDCGOFDB-NEPJUHHUSA-N 317.418 3.042 0 40 DGAB O=C(OCC1c2ccccc2-c2ccccc21)N1CC[C@H](CO)C1 70915798 YMDSXCNOWQCCAR-AWEZNQCLSA-N 323.392 3.250 0 40 DGAB in-vitro Cc1csc(CNC(=O)c2ccc(-c3ccco3)nc2C)n1 71186042 XAPUYJNOZXZHNL-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1 71803460 ZAXJLYLZMSAJRB-DZGCQCFKSA-N 322.474 3.414 0 40 DGAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccnc(F)c2)C12CCCC2 71920778 VATAHSADCLJGNT-KBPBESRZSA-N 306.381 3.031 0 40 DGAB Cc1cc(C(=O)N2CCC(C)CC2)nc(N2CCCCCC2)n1 72241514 UMJMMNVJCAALSY-UHFFFAOYSA-N 316.449 3.038 0 40 DGAB CCC(=O)N1CCC[C@@H](Cc2cccc(Nc3ccccn3)n2)C1 72363597 JLCQQQPWZPGIMO-HNNXBMFYSA-N 324.428 3.411 0 40 DGAB Cc1nc(C(=O)N=c2[nH]c3ccccc3[nH]2)c(CC(C)C)s1 72404621 IOVCSYHTSQIDDB-UHFFFAOYSA-N 314.414 3.201 0 40 DGAB Cc1nc(-c2cccc(C(=O)Nc3nonc3C)c2)cs1 74727186 LYQKQBRHFFIPJK-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CC[C@@H](NC(=O)Nc1cccnc1Cl)c1c(C)nn(C)c1C 75536250 FFBXLORUPOCICJ-LLVKDONJSA-N 321.812 3.358 0 40 DGAB Cc1cc(CNC(=O)Nc2cccc(Oc3ccccn3)c2)no1 76082509 KWLGQFPECGTDQL-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB CSc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)o1 78998657 RKKANOZWUFLZJR-UHFFFAOYSA-N 301.371 3.150 0 40 DGAB CCOC[C@@H]1CCN(C(=O)N[C@H](C)c2cc(C)ccc2C)C1 81471325 JUGZKCPTDZUYRA-HZPDHXFCSA-N 304.434 3.432 0 40 DGAB CC[C@H](c1ccc(F)cc1)[S@@](=O)c1nnc(C2CC2)n1C 83076742 AJUDMYDSJYJLDE-ASSNKEHSSA-N 307.394 3.091 0 40 DGAB COC(=O)c1ccc(NCc2nccn2C(F)F)cc1Cl 85277838 VDHCFJMZKKHENT-UHFFFAOYSA-N 315.707 3.330 0 40 DGAB CCn1c([C@H](NC(=O)c2cccs2)C(C)C)n[nH]c1=S 85400173 RUPQAIKNRMBQFW-SNVBAGLBSA-N 310.448 3.149 0 40 DGAB CCc1noc(CN2CC=C(c3c[nH]c4ccccc34)CC2)n1 89295419 RFBOBNGFJOHMON-UHFFFAOYSA-N 308.385 3.403 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2cn[nH]c2)c1 90497473 FKFXHLKQICTBPD-UHFFFAOYSA-N 318.336 3.399 0 40 DGAB CCc1nc(C)c([C@@H](C)N[C@@H]2CCN(c3ccccn3)C2)s1 90801377 UTFKZIWHNOIEDE-TZMCWYRMSA-N 316.474 3.338 0 40 DGAB CCc1nc(C)c([C@H](C)N[C@@H]2CCN(c3ccccn3)C2)s1 90801378 UTFKZIWHNOIEDE-GXTWGEPZSA-N 316.474 3.338 0 40 DGAB CC(C)(C)c1nnc(NCc2nncn2-c2ccccc2)s1 91429977 WCMSBMACIUMAMR-UHFFFAOYSA-N 314.418 3.028 0 40 DGAB CC(C)(C)c1ccc(C2(C(=O)NC3CCOCC3)CC2)cc1 95364834 MPNSKDDBWFUHTE-UHFFFAOYSA-N 301.430 3.311 0 40 DGAB CN(Cc1cscn1)[C@H]1CCN(c2cccc(Cl)c2)C1=O 95408723 FCWFYTZLVYDHRX-AWEZNQCLSA-N 321.833 3.034 0 40 DGAB CC(C)(C)n1ncc2c(=O)n(C/C=C/c3ccccc3)cnc21 95418422 PVNUNTXVMSEKPS-JXMROGBWSA-N 308.385 3.061 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCOC1)[C@H](C)c1ccccc1C(F)(F)F 95980702 BFCCLRDASYFXPV-SDDRHHMPSA-N 315.335 3.350 0 40 DGAB CCn1c(C)nnc1COc1ccccc1N1CCC[C@@H](C)C1 95994819 GBSJECLUUDLCFN-CQSZACIVSA-N 314.433 3.422 0 40 DGAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 96058448 PETNXQAXLXPEDC-UXHICEINSA-N 324.424 3.044 0 40 DGAB c1cc(CN2CCC3(CC2)C[C@H](OCC2CCC2)CO3)co1 96106948 OXLWRABQIDFKSU-KRWDZBQOSA-N 305.418 3.220 0 40 DGAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccco1 96109823 CZSKPKUFUGNAEX-AWEZNQCLSA-N 324.384 3.027 0 40 DGAB CCc1noc(CN(C)C(=O)[C@H](c2ccccc2)[C@H](C)CC)n1 96408421 CZTHEDBZCOSPOC-DYVFJYSZSA-N 315.417 3.420 0 40 DGAB COc1ccccc1[C@H](NC1CCN(C(C)=O)CC1)C(C)(C)C 96493811 OUUFGCGHRGOANB-SFHVURJKSA-N 318.461 3.383 0 40 DGAB CC(=O)Nc1ccc(/C=C2/N=C(c3cccs3)OC2=O)cc1 96635026 RIQRAPINGMWELT-UKTHLTGXSA-N 312.350 3.051 0 40 DGAB C[C@H]1CN(Cc2cccc(C(N)=O)c2)c2cc(Cl)ccc2O1 97010557 SZSVUOJYULMQDV-NSHDSACASA-N 316.788 3.226 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)c2scnc2C)o1 97147861 OUODTZVSSDZUSU-LBPRGKRZSA-N 306.387 3.168 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 104275333 QCKPIKBKCZBMEY-DMTCVQMQSA-N 321.298 3.407 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)N[C@H](C)Cc2ccsc2)C1 106529403 MGGATPQORPPXAI-LSDHHAIUSA-N 323.506 3.100 0 40 DGAB Cc1nc(Cl)cc(N[C@@H]2CCN(C)[C@H]2c2ccccc2)n1 107539165 CDCLRFAWJNZEKQ-CJNGLKHVSA-N 302.809 3.296 0 40 DGAB COCOc1cc(OC(F)(F)F)ccc1Br 167605630 SFYIECVECZDAHH-UHFFFAOYSA-N 301.058 3.330 0 40 DGAB COCCOc1cc(C(=O)Nc2ccccc2C(C)C)ccn1 182260377 ANLKDUZUVAKTQQ-UHFFFAOYSA-N 314.385 3.483 0 40 DGAB O=C(Nc1cc(Br)c(F)cc1F)C1=COCCC1 188151132 JIXWXYRFLIYXRO-UHFFFAOYSA-N 318.117 3.360 0 40 DGAB CC(C)(C)OC(=O)Nc1cc(OC(F)(F)F)ccc1CN 199831062 ZVCDNBPITUMVHD-UHFFFAOYSA-N 306.284 3.391 0 40 DGAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1ccc(F)c(F)c1 211116070 ASNBBLXNOXEJBQ-HNNXBMFYSA-N 316.351 3.364 0 40 DGAB COc1ccc(CCC(=O)Nc2nnc(SC)s2)cc1C 225023130 MWXXGDAIGBVFQK-UHFFFAOYSA-N 323.443 3.148 0 40 DGAB COc1ccccc1C[C@H](Oc1ccc(C)c(C)c1)C(=O)O 225097545 SJEGCADPKNAGSV-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CC(C)CCNC(=S)Nc1cccc(N2CCCC2=O)c1 225381074 JXEAQICZGXUFLT-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB O=C(c1cccs1)N1CC[C@H](N2CCc3ccccc3C2)C1 238868947 MKUOOFXDIHPUQE-INIZCTEOSA-N 312.438 3.021 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)no1 257224225 FAWDHHQHEZZDJT-GFCCVEGCSA-N 319.430 3.412 0 40 DGAB COc1cccc(-c2ccc([C@@H]3CCCN(C(C)=O)C3)nc2)c1 257265642 LZRODVNAALKYPH-QGZVFWFLSA-N 310.397 3.483 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@H]1c1cnccn1 257270839 MVWAGRKBEJRHOJ-KRWDZBQOSA-N 304.353 3.002 0 40 DGAB COc1cc(NC(=O)c2c(C)noc2C(C)C)ccc1C(=O)O 261976385 ZPGHVGNEAXYIOV-UHFFFAOYSA-N 318.329 3.066 0 40 DGAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1nccn1C 331360961 YLIGSHTWQFWGON-UHFFFAOYSA-N 320.418 3.027 0 40 DGAB O=C(O)c1conc1[C@@H](O[C@H]1CCCCO1)c1ccccc1 504659480 CTEKQMBDOVQCNP-ZFWWWQNUSA-N 303.314 3.005 0 40 DGAB Cc1noc(C)c1Cc1nc([C@H]2CCOc3ccccc32)no1 546395162 XOXOEYIQFBYEDR-ZDUSSCGKSA-N 311.341 3.180 0 40 DGAB CCc1ccccc1NC(=O)COc1ccc(N2CCC2=O)cc1 585123045 RPBJVNYNSZGQNI-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB COc1ccccc1[C@@H](CNc1nc2cnccc2s1)OC 1775970594 GQAOAICWQRCLSN-CQSZACIVSA-N 315.398 3.500 0 40 DGAB Brc1cnccc1O[C@H]1CCN(C2CCCC2)C1 1849311988 PYOMEEJSANYEKN-LBPRGKRZSA-N 311.223 3.240 0 40 DGAB CN1CCCN(C(=O)c2ccc(-c3ccccc3F)s2)CC1 97213270 NZDCECCZYPPOKN-UHFFFAOYSA-N 318.417 3.332 0 40 DGAB Cc1cc(C)cc(NC(=O)CSc2nnc(C3CC3)n2C)c1 411071 FJKYPPNOGUORBS-UHFFFAOYSA-N 316.430 3.040 0 40 DGAB COc1ccc([C@@H](NC(=O)c2cscn2)C(F)(F)F)cc1 97236107 WVLHMMWTHLDOKE-LLVKDONJSA-N 316.304 3.185 0 40 DGAB COc1ccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)cc1 531663 AZOSMKBVNQSFIF-HOTGVXAUSA-N 321.384 3.015 0 40 DGAB Cc1ncsc1CCOC(=O)C1=Cc2ccccc2OC1 61196101 QRESUAYXIDYHAN-UHFFFAOYSA-N 301.367 3.013 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 78441336 GLPPVXVUSGXDAN-LBPRGKRZSA-N 303.402 3.368 0 40 DGAB CN1CCCC[C@H](C(O)(c2ccccc2)c2ccccc2)C1=O 1729605 TXISTBPTBHCNLE-SFHVURJKSA-N 309.409 3.181 0 40 DGAB C[C@@H](c1cccc(Cl)c1)N(C)C(=O)Nc1cccn(C)c1=O 78937825 XLYHMSZLWKJVJT-NSHDSACASA-N 319.792 3.264 0 40 DGAB CC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@@H]1C)OCCO3 42009770 MPIMNJSLGNXWDM-LBPRGKRZSA-N 301.386 3.193 0 40 DGAB CCOc1ccc(Nc2c3c(nc4ncnn24)C[C@@H](C)CC3)cc1 4092013 TWSDVVLVSKXWAU-LBPRGKRZSA-N 323.400 3.391 0 40 DGAB CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C1=O 4181097 KGLHNUDTVFYQOY-UCJXFSFFSA-N 323.436 3.176 0 40 DGAB Cc1nn(C(C)(C)C)c2nc(C3CC3)cc(C(=O)NC3CC3)c12 42199517 UWKJONOSSGSEJJ-UHFFFAOYSA-N 312.417 3.264 0 40 DGAB Cc1ccc(NC(=O)COCc2cc(-c3ccco3)on2)cc1 6876619 XHHNTNZMCLMSKS-UHFFFAOYSA-N 312.325 3.398 0 40 DGAB C[C@H](NCc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 47697947 VXHWEJMDGODAPO-LBPRGKRZSA-N 313.353 3.037 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NCCSC(C)(C)C 8495121 KYLJLHHRGGJNKH-GFCCVEGCSA-N 311.447 3.110 0 40 DGAB Cc1ccnc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)c1 12544987 WCXANPUNWLFGKI-UHFFFAOYSA-N 314.433 3.431 0 40 DGAB COC(=O)C[C@@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(C)cc1 24489462 FMUOFTMOFHAFCZ-HZPDHXFCSA-N 301.386 3.072 0 40 DGAB Cc1nc2cc(NC(=O)[C@H]3CC(c4ccccc4)=NO3)ccc2o1 47933061 TYMNAJJYAFUIRJ-QGZVFWFLSA-N 321.336 3.268 0 40 DGAB COC(=O)c1cccc(CS[C@@H](C)C(=O)NC(C)(C)C)c1 25689361 IBPAZPONWNOYMY-NSHDSACASA-N 309.431 3.010 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)cc1C 25859047 ZXRHPQNXPMPUHB-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB NC(=O)[C@@H](NCCSc1ccc(Cl)cc1)c1ccccc1 26221255 FBHZNGCQMIVLNQ-HNNXBMFYSA-N 320.845 3.248 0 40 DGAB CC(C)N(CC(C)(C)O)C(=O)N[C@@H]1CCc2c(F)cccc21 95434907 FTKJGQCTOKQVNU-OAHLLOKOSA-N 308.397 3.004 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2c(F)cccc2F)C1 48270437 RXFCIXIOFMVBRA-BETUJISGSA-N 310.388 3.063 0 40 DGAB Cc1cnc(CSc2nc(-c3ccccc3)c(C)c(=O)[nH]2)o1 97141247 DXVDZFXXXLETKD-UHFFFAOYSA-N 313.382 3.334 0 40 DGAB COc1ccc(Cl)cc1NCCC(=O)Nc1ncccc1C 58295623 RJAIUPZAYIKDMD-UHFFFAOYSA-N 319.792 3.493 0 40 DGAB CC(C)[C@@H](C)NS(=O)(=O)Cc1c(Cl)cccc1Cl 104105961 KUUXNBGURQBRPM-SECBINFHSA-N 310.246 3.457 0 40 DGAB C[C@@H](NC(=O)Nc1nccs1)c1ccc2c(c1)OCCCO2 44935499 HKCFWFTYMCKJOE-SNVBAGLBSA-N 319.386 3.187 0 40 DGAB NC(=O)[C@@H](Sc1ccc2c(c1)OCCCO2)c1ccccc1 58342852 MCKFTKQQNWIUDJ-INIZCTEOSA-N 315.394 3.167 0 40 DGAB O=C(NCc1cnn(-c2ccccc2)c1)c1cc2ccccc2[nH]1 11565188 HRTHWDAOKHELOL-UHFFFAOYSA-N 316.364 3.284 0 40 DGAB CC1(C)Cc2cc(CN3CCC(n4ccnc4)CC3)ccc2O1 92648578 YKPQKAPIYMDUHZ-UHFFFAOYSA-N 311.429 3.434 0 40 DGAB CC(C)c1csc(NC(=O)CCCNC(=O)c2ccco2)n1 29776120 DFEPRALGWDDFKW-UHFFFAOYSA-N 321.402 3.008 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C[C@H](C)c2ccccc2)n1 48325970 ABUNLQQNSGKCIE-GJZGRUSLSA-N 313.445 3.446 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N(C)C2CCC(CO)CC2)c1 95430521 FWMWJLBMTOMJDI-KLHKWILBSA-N 318.461 3.291 0 40 DGAB Cc1ccc(/C=C/C(=O)NCCc2ccc3c(c2)OCO3)c(C)c1 12974863 VMPBULMDASRYNK-SOFGYWHQSA-N 323.392 3.404 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)c(Cl)c1 12974945 OSUKCWLWKUPWGD-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COc1cccc([C@@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)c1 13131957 ZPYRNJDYCDSVDN-HOTGVXAUSA-N 321.384 3.015 0 40 DGAB aggregator CN(C(=O)CSc1ccccc1)c1ccccc1C(=O)O 13440595 OXERVVLXEPIHBW-UHFFFAOYSA-N 301.367 3.140 0 40 DGAB Cc1noc(C)c1C(=O)N1CCc2cc(Br)ccc21 49314615 XTXGMKDSENIDDG-UHFFFAOYSA-N 321.174 3.257 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)c2c(F)cccc2F)c1 39563744 WTTJOIZOFOMCII-UHFFFAOYSA-N 311.353 3.407 0 40 DGAB C[C@@H]1COCCN1C(=O)c1sc2sccc2c1Cl 65472892 OVSYSLMVOKNABB-SSDOTTSWSA-N 301.820 3.477 0 40 DGAB O=C(NC1CC1)c1ccccc1NC(=O)C1(c2ccccc2)CC1 14094858 PEIFYDQDBWRZIC-UHFFFAOYSA-N 320.392 3.249 0 40 DGAB C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1ccc(F)cc1 65522257 WUWKEGSSEPWYBO-BDJLRTHQSA-N 320.339 3.059 0 40 DGAB CCCCN(C)C(=O)C1CCN(Cc2ccccc2OC)CC1 4552718 STRPZTQXFQFZMJ-UHFFFAOYSA-N 318.461 3.166 0 40 DGAB NC(=O)c1ccccc1OCc1cccc(Br)c1 5427837 UBHUPAOJMURPIS-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB COc1ccc(NC(=O)c2cnc(-c3ccccc3)nc2)cc1 4815344 ZBIBDQVUBYNMCC-UHFFFAOYSA-N 305.337 3.405 0 40 DGAB CCn1nnc2cc(C(=O)Nc3cccc(Cl)c3F)ccc21 6881244 SOQYMHXSOBAARR-UHFFFAOYSA-N 318.739 3.496 0 40 DGAB Cn1ncc2cc(-c3ccccc3CN3CCOCC3)ccc21 96152382 WEOZYLJUJJMSQJ-UHFFFAOYSA-N 307.397 3.073 0 40 DGAB Cc1noc(C)c1CNC(=O)[C@H](C)Oc1ccc(Cl)cc1 67756279 MLGFQHDHQDANEL-NSHDSACASA-N 308.765 3.029 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)Nc1cc(N)ccc1F 19736613 JOKAIKYXPDRPJY-VIFPVBQESA-N 308.740 3.467 0 40 DGAB O=C(COc1ccccc1)N1CCc2cc3ccccc3nc21 15841767 DZEUORVJFRLTOF-UHFFFAOYSA-N 304.349 3.203 0 40 DGAB CCCn1c(NC(=O)Cc2c(C)noc2C)nc2ccccc21 9376269 DQUOHWBDDSGMHU-UHFFFAOYSA-N 312.373 3.232 0 40 DGAB O=C(NC1CC1)c1cn(Cc2ccccc2)nc1-c1ccccc1 7986902 PNRXGSWUUCIMGX-UHFFFAOYSA-N 317.392 3.491 0 40 DGAB COC(=O)Nc1cccc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 97037479 QTLHCMGFLGUBDY-KFWWJZLASA-N 302.374 3.234 0 40 DGAB CCc1cnccc1C(=O)N1CCC[C@@H](NCc2ccccc2)C1 97034988 PRARJXUNDBDESZ-GOSISDBHSA-N 323.440 3.038 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccco1)c1ccc2c(c1)OCCO2 17368012 WIDCGRPZIPKQID-MRXNPFEDSA-N 301.342 3.178 0 40 DGAB C[C@H]1CN(C2CCN(C/C=C/c3ccc(F)cc3)CC2)CCO1 92079574 LEDUHAHJXJZCRB-KZSQQDEKSA-N 318.436 3.024 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)sc1C 72297500 WZYJZGRMMHXDNW-HUUCEWRRSA-N 322.474 3.425 0 40 DGAB Cc1cc(NC(=O)c2ccccc2C(=O)c2ccccc2)no1 8714247 XHLUUTDNTPSFJQ-UHFFFAOYSA-N 306.321 3.466 0 40 DGAB Cc1ccccc1[C@@H](O)CNC(=O)c1ccc(-c2cnco2)cc1 72281236 RFGPEDQNHWUZFA-KRWDZBQOSA-N 322.364 3.113 0 40 DGAB CCS[C@@H]1CCCCN(Cc2nc(=O)c3ccccc3[nH]2)C1 71899658 MSUBSNUHXMTHMU-CYBMUJFWSA-N 317.458 3.031 0 40 DGAB CCc1ocnc1C(=O)N1CCC[C@@H](c2nc(C)c(C)s2)C1 72297481 RKUXLWYQRKGSQT-GFCCVEGCSA-N 319.430 3.330 0 40 DGAB CC[C@@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccncc1 95426968 VLNZHJSGIRIXFC-HZPDHXFCSA-N 317.433 3.324 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H]1CC(=O)c1ccccc1 85482734 CJLWYMAVKGSWRZ-CQSZACIVSA-N 314.410 3.329 0 40 DGAB C[C@@H](CN[C@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 95968223 RRHBUBIPJQHDSD-QWHCGFSZSA-N 313.430 3.178 0 40 DGAB COC(=O)[C@H]1CCCCC[C@H]1NCc1csc(C2CC2)n1 95941458 RGFHILVGWUHJLI-UONOGXRCSA-N 308.447 3.232 0 40 DGAB COC(=O)Cc1c(-c2ccc(C)cc2)c2ccccc2[nH]c1=O 95946314 DYAUNPZFPCGFBN-UHFFFAOYSA-N 307.349 3.219 0 40 DGAB CC(C)CSCCN1CCC(C(=O)N2CCCCC2)CC1 95976121 CXWBCUONPNRMFY-UHFFFAOYSA-N 312.523 3.100 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2CCc3ccccc32)c1 30859391 YFTRTHQZMFROAF-UHFFFAOYSA-N 322.452 3.415 0 40 DGAB COc1cc(F)c(NCc2cccc3cn[nH]c23)cc1OC 95978150 SVPITYDHWLBIGD-UHFFFAOYSA-N 301.321 3.331 0 40 DGAB C[C@@H](NC(=O)N1CCCCC[C@H]1c1ccco1)c1cnn(C)c1 74473758 JRIVSINMFBCHPH-HIFRSBDPSA-N 316.405 3.401 0 40 DGAB O=C(Nc1ccc(-c2nc(-c3ccncc3)no2)cc1)C1CC1 74454249 RLIBRTCGKSNPIL-UHFFFAOYSA-N 306.325 3.147 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)c(=O)[nH]1 75124295 HEVLRVAYYIPHIG-AWEZNQCLSA-N 312.413 3.170 0 40 DGAB OCc1ccc(CNc2ccccc2OCc2cscn2)o1 89814366 LQWWEWYLZUUCJT-UHFFFAOYSA-N 316.382 3.420 0 40 DGAB C[C@@H](CNC(=O)N1CCOCC2(CCC2)C1)c1ccc(F)cc1 546113973 VZICZIPALQQNHL-AWEZNQCLSA-N 320.408 3.141 0 40 DGAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1C 30289240 VTWSYQQGVQXFOG-UHFFFAOYSA-N 311.447 3.395 0 40 DGAB CC(C)[C@H]1N(C(=O)c2conc2C(F)(F)F)CC12CCC2 1556811043 ZJDMMMVAYVGLQG-LLVKDONJSA-N 302.296 3.344 0 40 DGAB O=C(NC[C@@H](c1ccsc1)c1ccco1)C1CCOCC1 675007921 DGCIVUYZSUXTLN-AWEZNQCLSA-N 305.399 3.016 0 40 DGAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1cccnc1 66089167 LIGQUOYGMMYETG-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)c(C)c2)cc1F 32585517 BYCOYYYZOOBRNM-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB C[C@@H](c1ccccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203779 LBYCCMUITUMZQP-AWEZNQCLSA-N 319.449 3.379 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc3ncsc3c2)cc1 32147148 ZPOAMWGMKMNWPE-UHFFFAOYSA-N 320.395 3.106 0 40 DGAB O=C(CCOCC(F)(F)F)Nc1ccccc1OCC1CC1 76925099 MVUBEFAKWXFMEG-UHFFFAOYSA-N 317.307 3.383 0 40 DGAB Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2)c(C)c1 224262911 PPNYTTAPYVXBMB-UHFFFAOYSA-N 311.389 3.338 0 40 DGAB O=C(Nc1cc(Cl)cc(F)c1F)N[C@H]1CC12CCOCC2 575603411 GKSBZKVQWLZXKB-NSHDSACASA-N 316.735 3.309 0 40 DGAB Cn1cc(CN[C@H]2CCCNc3ccccc32)c(C(F)(F)F)n1 193039763 QIVGOEPVGFKSRF-AWEZNQCLSA-N 324.350 3.476 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(Br)c(N)c1 40294131 OXOFIVRRWNGEDT-RNCFNFMXSA-N 311.223 3.340 0 40 DGAB c1ccc(-n2cnnc2SCc2nc3ccccc3[nH]2)cc1 46761184 OSJLDOLVCHOVOB-UHFFFAOYSA-N 307.382 3.436 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCc1nc(-c2ccccc2)no1 44779057 LDTYHANPOOXCEN-DHZHZOJOSA-N 323.327 3.205 0 40 DGAB CSC1(CNC(=O)Nc2ccccc2-n2ccc(C)n2)CC1 193915270 PQKOCJUPIAYUOA-UHFFFAOYSA-N 316.430 3.198 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@H]2CCC(=O)N3CC2CC2)s1 96056546 KDPISLXUTZEGLK-HZPDHXFCSA-N 304.459 3.032 0 40 DGAB CN1CCN(C(=O)CCCc2ccccn2)c2ccc(F)cc21 96432422 LSQOHRCIDSVXES-UHFFFAOYSA-N 313.376 3.026 0 40 DGAB CCO[C@H]1COC2(CCN(Cc3ccc(C)c(C)c3)CC2)C1 96220608 VXFUECPDVJHANP-GOSISDBHSA-N 303.446 3.463 0 40 DGAB COC[C@H]1CCC2(CCN(Cc3ccc(F)c(F)c3)CC2)N1C 96219142 GPIBEYYEGHXMRX-OAHLLOKOSA-N 324.415 3.040 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1cccc(-c2ncc(C)o2)c1 96434778 QYYOUSICZIVLCA-OAHLLOKOSA-N 315.373 3.293 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccco3)CC2)[C@@H]1c1ccccc1 96100233 VRYZAROQKVDXOP-KRWDZBQOSA-N 310.397 3.075 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](CCc1cccc(Cl)c1)C(=O)O 95749095 LGFFGTSHJOANJT-LBPRGKRZSA-N 313.781 3.251 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)oc2ccccc12 96024825 NXYQZLCIYGMYQT-CYBMUJFWSA-N 309.369 3.484 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2nccnc2Cl)C1 257212883 CFIKAMCZLGTSPE-LLVKDONJSA-N 311.813 3.320 0 40 DGAB CCCN1CC[C@@H](CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 53408879 PZBMXXHWYQBSMW-KRWDZBQOSA-N 314.473 3.183 0 40 DGAB NC(=O)[C@H](NCc1ccccc1OC1CCCC1)c1ccccc1 56195713 UIABVEGASSYYAG-LJQANCHMSA-N 324.424 3.324 0 40 DGAB CCN(Cc1ccccn1)S(=O)(=O)C[C@H](C)c1ccccc1 89969330 KVXNDMRGBCIJRY-HNNXBMFYSA-N 318.442 3.037 0 40 DGAB O=C(/C=C\c1ccccc1)NCCCCNC(=O)c1ccccc1 13397365 XYVZRTYPQHUZGY-YPKPFQOOSA-N 322.408 3.026 0 40 DGAB CC(C)N(C[C@H](O)COC12CC3CC(CC(C3)C1)C2)C(C)C 12422047 PKJIWVMCHKNWTF-NNGLDNROSA-N 309.494 3.452 0 40 DGAB COc1ccc(CCNC(=O)NC2CCC(F)(F)CC2)cc1 341662977 QEDMQDVUEIVAOL-UHFFFAOYSA-N 312.360 3.115 0 40 DGAB Cc1cc(OCC(=O)Nc2nnc(C3CC3)s2)ccc1Cl 3550916 XLJILSUNBJZVEG-UHFFFAOYSA-N 323.805 3.395 0 40 DGAB Cc1nccn1-c1cc(N[C@H]2CCCc3ccccc32)ncn1 1888904268 QIWYVUGDJPABJZ-INIZCTEOSA-N 305.385 3.460 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1ccc2nc(C3CC3)cn2n1 1888906529 JIUVHQMRYCQMCO-UHFFFAOYSA-N 314.295 3.137 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1nc2c(s1)CCC2 15636534 RLXWIZWMADGSGV-UHFFFAOYSA-N 318.398 3.048 0 40 DGAB COC(=O)c1cccc(OCc2nnc(-c3ccccc3)o2)c1 18332277 MPLBNLVERQXCSZ-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccoc1 21835869 UMGZQHIUOWTZPP-UHFFFAOYSA-N 324.130 3.066 0 40 DGAB O[C@H]1CCN(C2CCCCC2)CC[C@@H]1Oc1cccc(F)c1 2037849780 IXGWVCISXFHUGT-ROUUACIJSA-N 307.409 3.363 0 40 DGAB CNC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1cccs1 108653 CXEZMGVPZSOGFF-OAHLLOKOSA-N 324.409 3.133 0 40 DGAB Cc1nn(-c2nncc3ccccc23)c2c1C(=O)CC(C)(C)C2 105902 INGKTKXBUREUFI-UHFFFAOYSA-N 306.369 3.279 0 40 DGAB Cc1ccc(SCCCNC(=O)Nc2ncccn2)cc1 10220855 WACRZZCQBXTUIT-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB FC(F)(F)c1cccc(COc2ccc(-c3nnn[nH]3)cc2)c1 12428682 CWFQXOWONYNTHJ-UHFFFAOYSA-N 320.274 3.465 0 40 DGAB O=C(NCc1nccnc1-c1cccnc1)c1ccccc1Cl 585150360 BONHMZLFENEOOX-UHFFFAOYSA-N 324.771 3.122 0 40 DGAB CC[C@H]1CN(C(=O)c2sc(-c3ccsc3)nc2C)CCO1 30853579 IDCHQFVMUUDQQG-LBPRGKRZSA-N 322.455 3.431 0 40 DGAB CCCCC(=O)N1CCN(Cc2ccc(F)cc2Cl)CC1 20582019 OZJYJVBMLVAKNT-UHFFFAOYSA-N 312.816 3.314 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CCC1)c1ccc(F)cc1 32869597 LCYAJYBSQKSBNY-UHFFFAOYSA-N 319.401 3.226 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C(C)C)n2C)c(C)c1 412579 LJDYCAGWAMOZHD-UHFFFAOYSA-N 318.446 3.286 0 40 DGAB CC(C)C(=O)Nc1cccc(CNC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)c1 102910558 KHIASUHEEPIXBX-QRTARXTBSA-N 312.413 3.110 0 40 DGAB CC(C)CNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 74585 AHIOWJXDEJXXFY-UHFFFAOYSA-N 315.744 3.293 0 40 DGAB C[C@@H](CN1CCCC1)OC(=O)c1ccccc1Br 210675 ZBHILYLZZIRLAD-NSHDSACASA-N 312.207 3.090 0 40 DGAB Cn1c(-c2ccccc2Cl)nn(CN2CCCC2)c1=S 386352 LANUWFIZAURJIO-UHFFFAOYSA-N 308.838 3.325 0 40 DGAB CC(C)N1C[C@H](C(=O)Nc2ccc(Cl)c(Cl)c2)CC1=O 813687 HJUUZQWRVOBGRJ-SECBINFHSA-N 315.200 3.189 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H]2CCCN(c3ncccn3)C2)cc1 1329903 WHKDDBPYCVOBAQ-MRXNPFEDSA-N 324.428 3.455 0 40 DGAB O=C(c1cc(Br)ccc1OC(F)F)N1CCCC1 2789599 PCGAGZQZQDRZKL-UHFFFAOYSA-N 320.133 3.287 0 40 DGAB CN(C(=O)CSc1ccccc1C(=O)O)C1CCCCC1 3223089 MQGOIGPVPBTXBZ-UHFFFAOYSA-N 307.415 3.268 0 40 DGAB Cc1noc(C)c1COC(=O)CCC(=O)c1ccc(F)cc1 3317832 TZFTZENBYKTCSC-UHFFFAOYSA-N 305.305 3.137 0 40 DGAB CCN(CC)C(=O)[C@H]1CCCN(Cc2c[nH]c3ccccc23)C1 4769364 JURXGSRGDJSVBS-HNNXBMFYSA-N 313.445 3.248 0 40 DGAB O=C(CSc1cccc[n+]1[O-])C12CC3CC(CC(C3)C1)C2 4825401 MWTSSRQBQIHWBR-UHFFFAOYSA-N 303.427 3.198 0 40 DGAB CCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)(C)C 5155698 WFAZROYFAHTRPE-UHFFFAOYSA-N 300.402 3.231 0 40 DGAB COc1cc2[nH]cc(C(=O)c3ccc(C)cc3)c(=O)c2cc1OC 6732991 TZLCTMOWHCHBFX-UHFFFAOYSA-N 323.348 3.085 0 40 DGAB O=C(OCc1nc(-c2ccccc2)no1)c1cc(F)cc(F)c1 7032550 OQMAXAOPOJFFOO-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)c(C)c1 7218072 RYTCDEULZTULIY-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB COc1ccc(F)cc1Cn1cnc2sc(C)c(C)c2c1=O 7383483 ILHJCSANJZBNNK-UHFFFAOYSA-N 318.373 3.271 0 40 DGAB CCOc1ccc(OCCNC(=O)c2ccc(C)c(F)c2)cc1 7435391 UKMFAHCMFMSQEB-UHFFFAOYSA-N 317.360 3.342 0 40 DGAB O=C(c1ccncc1)N(Cc1ccc2c(c1)OCO2)C1CCCC1 7780197 OYJFAZVJJMYNOL-UHFFFAOYSA-N 324.380 3.395 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)no1 9203951 KFBSDAURKBPZSV-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1F 9366455 XMQCJKIXBAACJT-ZDUSSCGKSA-N 322.361 3.075 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(OC(F)F)cc1 10662153 NAGYSBZNBHBUAQ-UHFFFAOYSA-N 323.343 3.210 0 40 DGAB CCCC(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1 12387850 SNBJMMWYQOOCQD-UHFFFAOYSA-N 317.414 3.185 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@H]1COc2ccccc2C1 12517396 QJGHTHNRFYQHSF-MRXNPFEDSA-N 322.408 3.477 0 40 DGAB Cc1cccc(C(=O)N[C@@H](c2ccc(F)cc2)c2nccn2C)c1 12531612 QQBRAYLGSAJVJN-KRWDZBQOSA-N 323.371 3.387 0 40 DGAB CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 12802164 VPOZOSFXAZNXGL-UHFFFAOYSA-N 307.353 3.173 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccccc2N2CCCC2=O)cc1 13002090 HEKPPCWCYCXNKB-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(O)cc2)c1 13692711 XZISXNLMDGTNRU-UHFFFAOYSA-N 310.353 3.384 0 40 DGAB CCOc1ccccc1NC(=O)c1cc(Br)cn1C 14016266 IZHMVQZVGKKVRA-UHFFFAOYSA-N 323.190 3.439 0 40 DGAB C[C@@H](NCCCn1ccnc1)c1ccc(Br)cc1 20506306 PZUNKKSRPODPGY-GFCCVEGCSA-N 308.223 3.387 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)Nc1ccccc1 23081099 XQEIZTNNPMAYMG-MRXNPFEDSA-N 309.369 3.322 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1-n1cncn1)c1ccoc1 24474680 NMDZJFJPWRKNTO-UHFFFAOYSA-N 322.246 3.131 0 40 DGAB Cc1noc(C)c1CCC(=O)NCCOc1ccc(Cl)cc1 24650981 SJDAKZGNUBVLAC-UHFFFAOYSA-N 322.792 3.073 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCN1C[C@@H](C)O[C@H](C)C1 25197752 VOIHNUNUMKRMPP-HZPDHXFCSA-N 304.434 3.131 0 40 DGAB COCc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1 25307318 FNMBIJPSPAOFNL-UHFFFAOYSA-N 324.302 3.177 0 40 DGAB C[C@@H]1CCCN(C(=O)Cc2csc(-c3ccccn3)n2)C1 29509686 HHZFHJSEDIPEKF-GFCCVEGCSA-N 301.415 3.006 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CNCc2cccnc2-n2cccn2)o1 30902312 VBRKQIZXGWSQDF-XJKSGUPXSA-N 308.385 3.274 0 40 DGAB COc1ccc(S(=O)(=O)N2CCc3sccc3[C@H]2C)cc1 31075948 PKALBUOVFGKFDF-LLVKDONJSA-N 323.439 3.065 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)c1ccc2cc[nH]c2c1 32637539 AMPRQQCTCFAISQ-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)Nc1ccc(N(C)C)nc1 32924252 ZLQCUSUOQZTHKM-UHFFFAOYSA-N 304.419 3.288 0 40 DGAB COc1ccc(CCNC(=O)[C@@H](C)Oc2ccccc2C)cc1 33665358 KZKYHVHAIGPSSN-OAHLLOKOSA-N 313.397 3.130 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2[C@H](CCN2Cc2ccccc2)C1 35270227 YESBJFJJWMHILD-HZPDHXFCSA-N 302.418 3.128 0 40 DGAB in-vitro OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2ccsc2)C1 36365537 HMUNQTWCHWPGFC-JTQLQIEISA-N 321.427 3.165 0 40 DGAB CCn1c(SCc2noc(CC(C)C)n2)nnc1C1CC1 43074976 INVUCXLBQIMLLX-UHFFFAOYSA-N 307.423 3.049 0 40 DGAB CN(Cc1ccsc1)Cc1csc(-c2ncccn2)n1 44974973 UAKOGMMBIKZPNV-UHFFFAOYSA-N 302.428 3.294 0 40 DGAB COCc1cccc(CNC(=O)N2CCc3sccc3C2)c1 46156834 ZYGYLCZSOCEBNA-UHFFFAOYSA-N 316.426 3.162 0 40 DGAB CN(Cc1ccsc1)C(=O)Nc1ccc(N2CCCC2)nc1 48086250 WRYMSAJAQIYEMY-UHFFFAOYSA-N 316.430 3.407 0 40 DGAB O=C1C[C@@H](c2noc(-c3ccccc3)n2)CN1c1ccccc1 49060251 GPAQMFWVAYGITB-CQSZACIVSA-N 305.337 3.257 0 40 DGAB COc1ccc(OC)c(C(=O)CCC(=O)Nc2ccccc2)c1 49926474 VLVZGQSBWAMUPR-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB O=C(NC(C1CC1)C1CC1)[C@H]1CC(c2ccc(Cl)s2)=NO1 55101430 BQWHIEDVEVRDAM-LLVKDONJSA-N 324.833 3.199 0 40 DGAB CCN1CCN(C(=O)c2sc3ccccc3c2Cl)CC1 55376491 PBVRGCCRHZPPGQ-UHFFFAOYSA-N 308.834 3.332 0 40 DGAB O=C(NC1CCCC1)N[C@H](c1ccc2c(c1)OCCO2)C1CC1 56358075 PCSYNERTWIQKBO-KRWDZBQOSA-N 316.401 3.151 0 40 DGAB C[C@@H]1c2cccn2CCN1C(=O)c1cnc(-c2ccccc2)nc1 58229911 DZJGVWXOYRGAMF-CQSZACIVSA-N 318.380 3.162 0 40 DGAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)CCc1cnn(C)c1 69350690 UYFUEZZYEQHTCV-HNNXBMFYSA-N 321.424 3.253 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N(CC(F)(F)F)C1CC1 69417227 RMLBXARSMOLEHM-UHFFFAOYSA-N 309.291 3.039 0 40 DGAB Fc1ccc(CN(Cc2nc(-c3ccccn3)no2)C2CC2)cc1 69484573 BUYZJWNIHGDXEK-UHFFFAOYSA-N 324.359 3.435 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N(C2CCCC2)C2CC2)cc1 69514998 YUZCUXGFCOFXTI-UHFFFAOYSA-N 300.402 3.121 0 40 DGAB Cn1cnc2c1CCN(Cc1csc(-c3ccsc3)n1)C2 69665036 ZVEODTJSJIHICK-UHFFFAOYSA-N 316.455 3.163 0 40 DGAB O=C(COc1ccccc1F)NCCc1cccc2cccnc12 70037218 QLBTUDVOFSYLQA-UHFFFAOYSA-N 324.355 3.112 0 40 DGAB O=C(C[C@@H]1CCCO1)N1CCC(c2cc3ccccc3[nH]2)CC1 71840023 IJSRUOVUXBHCJW-INIZCTEOSA-N 312.413 3.443 0 40 DGAB CCn1cc(NC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cn1 71903485 MRIKWNQNKXNWAO-VIFPVBQESA-N 311.744 3.102 0 40 DGAB CC[C@@H](c1ccc(F)cc1F)N1CCC(C(=O)NC2CC2)CC1 71915638 VCVIJCPDQGSBOU-KRWDZBQOSA-N 322.399 3.407 0 40 DGAB C[C@@H](O)C[C@@H](C)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 72293651 JAFJMOUOYGAKJZ-VXGBXAGGSA-N 313.825 3.021 0 40 DGAB CC(C)c1nc2cc(NC(=O)c3nccn4ccnc34)ccc2o1 72294369 CIEKIZXMKKRSIP-UHFFFAOYSA-N 321.340 3.246 0 40 DGAB OC[C@@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 72553211 MCODMSXBWPODLH-GFCCVEGCSA-N 306.406 3.154 0 40 DGAB CCn1ncc(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 73667362 SBGIQUIAERGAAX-UHFFFAOYSA-N 321.446 3.310 0 40 DGAB Cc1nccc(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)n1 84290681 ZMJKYGVVNIBOSQ-NHYWBVRUSA-N 311.385 3.306 0 40 DGAB O=C(N[C@@H](CCO)C1CC1)c1ccc(SC(F)(F)F)cc1 84387965 FKAXQSSEMOFIQT-LBPRGKRZSA-N 319.348 3.189 0 40 DGAB COc1cc([C@H](C)Nc2ncccc2F)cc(OC)c1OC 84484144 TVUFTGHPJZHDLV-JTQLQIEISA-N 306.337 3.420 0 40 DGAB CCn1c([C@@H](NC(=O)c2cccs2)C(C)C)n[nH]c1=S 85400175 RUPQAIKNRMBQFW-JTQLQIEISA-N 310.448 3.149 0 40 DGAB O=C(NCCc1ccc[nH]1)c1ccc(F)cc1C(F)(F)F 89350948 WHDDHTVECYTYRD-UHFFFAOYSA-N 300.255 3.145 0 40 DGAB Cn1ccnc1-c1cccc(NC(=O)NOCc2ccccc2)c1 89761494 QODYDCXVALGBDO-UHFFFAOYSA-N 322.368 3.340 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@H]1CCCC[C@H]1C(F)(F)F 89774554 XMOKYXXKIQVHQO-UONOGXRCSA-N 315.335 3.164 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C/C=C\c1ccccc1)CC(=O)O 90684952 ZEIROKVMYFFJKQ-YHAOYDPOSA-N 305.374 3.458 0 40 DGAB COc1c(Br)cccc1I 91251990 VVCVWPDMUFPVGA-UHFFFAOYSA-N 312.932 3.062 0 40 DGAB CCOc1ccccc1C(=O)Nc1cc(C(=O)O)ccc1F 95349598 LDTOLZLYSRUHMJ-UHFFFAOYSA-N 303.289 3.175 0 40 DGAB CCn1cc(NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)ccc1=O 95369202 XDSXPSYRGKCHAO-KSZPNQFKSA-N 312.369 3.237 0 40 DGAB Cc1ccc(OC[C@H](C)NCc2ccc([S@@](C)=O)cc2)cc1 95409637 MUUWVHMSAOPYSV-NYHFZMIOSA-N 317.454 3.290 0 40 DGAB C[C@H](CNC(=O)N(C)C1CCC(CO)CC1)c1ccsc1 95430535 OOKJMVVDYVCRQK-DNOWBOINSA-N 310.463 3.044 0 40 DGAB Cc1noc(C)c1CCCNC(=O)Nc1scnc1C1CC1 95447731 IEMUAQGONVCZBV-UHFFFAOYSA-N 320.418 3.380 0 40 DGAB CN(Cc1cccs1)C(=O)COc1ccc2[nH]ccc2c1 95453854 SGPGXBWVAGRRAC-UHFFFAOYSA-N 300.383 3.267 0 40 DGAB CCN(CCC1CCN(Cc2cnn(C)c2)CC1)CC(C)C 95459570 CYBNZUQBSAKDDS-UHFFFAOYSA-N 306.498 3.000 0 40 DGAB CC1CCN(C(=O)[C@@H](C)N2CCCc3ccccc3C2)CC1 95951126 ZHSQEGBMBPKJBB-MRXNPFEDSA-N 300.446 3.082 0 40 DGAB Cc1ccc(/C=C/C(=O)OCCN2CCCc3ccccc32)cn1 96014125 LZVIGOCQFXKBSN-ZHACJKMWSA-N 322.408 3.399 0 40 DGAB O=C(NCCn1ccc(C(F)(F)F)n1)c1ccc(Cl)s1 96098969 JJFDYNNAUBZOKN-UHFFFAOYSA-N 323.727 3.047 0 40 DGAB Cc1ccc(CN2CC[C@@]3(c4ccccc4)CCN(C)[C@@H]3C2)o1 96100378 KPSAMBPHSBLLJS-WOJBJXKFSA-N 310.441 3.436 0 40 DGAB C[C@@H]1CCCCN1C(=O)CCn1ncc2ccc(Cl)cc21 96181971 VKXGMRSGRCRCAZ-GFCCVEGCSA-N 305.809 3.481 0 40 DGAB COc1ccc(C(=O)Cc2cc(OC)c(OC)c(OC)c2)cc1 96325933 FUSFENWZOPWHAL-UHFFFAOYSA-N 316.353 3.146 0 40 DGAB biogenic O=C(NCC1CC1)C1(NCc2cccc3cccnc23)CCCC1 96461298 GSSYSMDOSMHTAL-UHFFFAOYSA-N 323.440 3.163 0 40 DGAB COc1cc(C)ccc1Oc1ccc(N[C@H](C)C(N)=O)cc1F 96501953 LZPXBCALJKASDU-LLVKDONJSA-N 318.348 3.221 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2)cc1C 96659144 CAYGDXNCRPLFMH-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CCn1cc(C(=O)N(C)C2CCC2)c(=O)c2cc(Cl)ccc21 97046601 GURTZBYLIKHMRX-UHFFFAOYSA-N 318.804 3.299 0 40 DGAB CC(C)OCCNC(=O)Nc1cccc(N2CCCCC2)c1 97113180 GZDKHZZIVLDVNK-UHFFFAOYSA-N 305.422 3.223 0 40 DGAB COCc1noc(CN[C@H](C)c2cc3cc(Cl)ccc3o2)n1 97374519 YEGIFKKRXWSZSZ-SECBINFHSA-N 321.764 3.466 0 40 DGAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)OC(C)(C)C 98181653 UXQRAMZRGNHVQQ-MRXNPFEDSA-N 304.434 3.375 0 40 DGAB CNC(=O)[C@]12CC[C@@](C)(c3nc4cc(C)c(C)cc4nc31)C2(C)C 100617721 SKUOWORXAYFSPD-PMACEKPBSA-N 323.440 3.322 0 40 DGAB O=C(c1noc2c1CCCC2)N1CCC[C@@H](c2nccs2)C1 109052562 SGDDMZMGRNNSAG-LLVKDONJSA-N 317.414 3.030 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@@H](C)O[C@H](C)C1 121845626 ONCOWJYBFYSMOH-VXGBXAGGSA-N 316.426 3.368 0 40 DGAB O=C(NC[C@H](O)c1ccccc1Cl)OCc1ccccc1 199812036 UNSRDSXEKVHHST-HNNXBMFYSA-N 305.761 3.300 0 40 DGAB C[Si](C)(C)c1cc(F)c(I)cc1F 219787851 YCWSLXIUBDFEGV-UHFFFAOYSA-N 312.173 3.115 0 40 DGAB COc1ccccc1OCCNC(=O)c1ccc(C)cc1Cl 225004425 YNQNBQZPKHCHRF-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)COc2ccc(C)cc2)cc1F 225393414 YBLWYJLBGFKZMY-ZDUSSCGKSA-N 317.360 3.340 0 40 DGAB COc1cccc(CCCNC(=S)Nc2ccncc2)c1 225555205 HPXWLDSBKMVRAV-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)NC(C)C 225573571 YDEPUQFCVHUBQQ-CYBMUJFWSA-N 324.852 3.382 0 40 DGAB CCOc1cccc(CNS(=O)(=O)c2ccc(F)c(C)c2)c1 225604514 MTSVSDFJQQVURQ-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB C[C@@H]1CCO[C@@H]1C(=O)N(C)c1nc2ccc(Cl)cc2s1 252488998 JDKKMMWKEFCLLU-PELKAZGASA-N 310.806 3.338 0 40 DGAB CNC(=O)[C@@H]1CCCC[C@H]1N[C@H](c1ccccc1)c1ccccn1 252584937 DXCXTBREVZEQFX-ZHALLVOQSA-N 323.440 3.065 0 40 DGAB Cc1ccnc([C@@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257210867 BWLTXSFOVVWJON-QGZVFWFLSA-N 307.397 3.050 0 40 DGAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)ccn1 257243199 IFWBCVPGPRQOLL-CQSZACIVSA-N 315.442 3.229 0 40 DGAB O=C(c1cccc2cccnc12)N1CCCC[C@@H]1c1ccn[nH]1 257259915 LAQWYGUEHHCHLN-MRXNPFEDSA-N 306.369 3.325 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)s1 257308050 TVFMCPFGRCVXEZ-AWEZNQCLSA-N 322.474 3.243 0 40 DGAB Cc1cccc(N2CCC[C@H](N(C)C(=O)c3ccsc3)C2)n1 257316529 VFZREPAEYQFLBA-HNNXBMFYSA-N 315.442 3.193 0 40 DGAB Cc1nsc(C)c1C(=O)Nc1cc(C2CCCC2)nn1C 329044160 PEQCRWILJNPBFW-UHFFFAOYSA-N 304.419 3.403 0 40 DGAB CO[C@H](C(=O)NCCSCc1ccco1)c1ccccc1 408925102 JMLIXFXJRLZEDA-HNNXBMFYSA-N 305.399 3.017 0 40 DGAB O=C(/C=C/c1cccs1)NCC[C@H](CCO)c1cccs1 575606590 HWWKZYXSCNCRHQ-URWSZGRFSA-N 321.467 3.495 0 40 DGAB COc1cccc([C@@H]2C[C@H]3CN(Cc4ccccc4)C(=O)[C@@H]32)c1 585138391 MJMAYUJVLPINSO-WDSOQIARSA-N 307.393 3.457 0 40 DGAB Cc1cc(Br)cnc1-c1ncn([C@H]2CCCCO2)n1 642882562 MSAKZFNXBNKPLJ-LLVKDONJSA-N 323.194 3.110 0 40 DGAB COc1ccc(C[C@](C)(O)CNc2nc3ccccc3o2)cc1 1775970170 FGDPFCRVQXONGH-SFHVURJKSA-N 312.369 3.242 0 40 DGAB COC(=O)c1ccc(Cl)c(CN(C)Cc2nccs2)c1 97080409 STXXERHEOVNRBF-UHFFFAOYSA-N 310.806 3.215 0 40 DGAB COc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2C)cc1 508548 HLRFEMHCVFOOIE-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)Cn1ccnc1 47028209 JOGPTPOYHXPHOO-JSGCOSHPSA-N 318.446 3.052 0 40 DGAB O=C(CCCNC(=O)c1ccccc1)Nc1c(F)cccc1F 47220811 KWTDIRXKUJPRDA-UHFFFAOYSA-N 318.323 3.114 0 40 DGAB CCCOc1ccc(C(=O)CCN[C@@H](C(=O)O)[C@@H](C)CC)cc1 2123959 HUCCTPWTIDKIRB-SUMWQHHRSA-N 321.417 3.137 0 40 DGAB biogenic Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@@H]21 53381057 OCJGDSJYENLRJS-LSDHHAIUSA-N 312.369 3.044 0 40 DGAB CC1CCN([C@@H](c2nnnn2Cc2ccccc2)C(C)C)CC1 4230592 XIBGVCAWTKMPPU-QGZVFWFLSA-N 313.449 3.150 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1ccccn1)N1CCOCC1 23224637 GGLJXDQDSWMYGE-IBGZPJMESA-N 307.397 3.293 0 40 DGAB CC[C@H](C(=O)OC)n1c(-c2ccccc2)nc2ccccc2c1=O 914950 QMDWZEXTZVAQNE-MRXNPFEDSA-N 322.364 3.188 0 40 DGAB COc1cc(CNC2CCCC2)cc(Br)c1OC 8469802 YEEYSBQRPXAOHO-UHFFFAOYSA-N 314.223 3.499 0 40 DGAB CC12CC(Br)(Br)C(=O)C3[C@@H]1CCC[C@@H]32 103013245 BCMYWQPYOXUYLB-KEMUHUQJSA-N 322.040 3.498 0 40 DGAB COc1cccc(-c2noc(C(=O)NC3CCCCCC3)n2)c1 1432087 WWPHQESXXWFYOJ-UHFFFAOYSA-N 315.373 3.198 0 40 DGAB CCOc1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1 9816807 QZMLEMJGBPXFOV-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB CCNC(=O)CN(CC)C(=O)c1cc2c(s1)CCCCCC2 57025022 TWHUCAAODVPCII-UHFFFAOYSA-N 322.474 3.005 0 40 DGAB Cc1c(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)cnn1C 57811139 IAKWMBRMNBVGCZ-SFHVURJKSA-N 317.408 3.049 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Cl 20139349 XEHIURNKAPZWDW-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB CCn1ccnc1S[C@@H](C)C(=O)Nc1cccnc1Cl 12646565 KXQKTBBOGQXGKO-VIFPVBQESA-N 310.810 3.071 0 40 DGAB Cc1ccc(NC(=O)NCCCc2nc3ccccc3[nH]2)nc1 97107614 DSIIJPKYMUEKLM-UHFFFAOYSA-N 309.373 3.021 0 40 DGAB OC1=C2C(=Nc3ncnn3[C@H]2c2cc(F)cc(F)c2)CCC1 102657607 JTGDKCNFYAWAHS-AWEZNQCLSA-N 302.284 3.228 0 40 DGAB C[C@@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 48200217 ZCUZCNIAYWKYTB-SNVBAGLBSA-N 317.311 3.287 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1C 21915115 DENOAAMECCLWPJ-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2F)c(C)c1 1993350 APMSKVXCJTVWBE-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1cnc(C(C)(C)NCC(=O)Nc2ccccc2F)s1 97112058 UALQRWGCAFMWEM-UHFFFAOYSA-N 307.394 3.054 0 40 DGAB O=C(CCc1ccccc1)NCc1ccc(-n2ccnc2)cc1 20488158 KIIVHDDYTZGCNY-UHFFFAOYSA-N 305.381 3.121 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)c2ncoc2C(C)C)C12CCCC2 72303463 DYORIJRXYYYNFO-QWHCGFSZSA-N 306.406 3.266 0 40 DGAB COc1ccc(C(NC(=O)C2CC2)c2ccc(OC)cc2)cc1 27711350 SUIIKGPBUPSFRJ-UHFFFAOYSA-N 311.381 3.319 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1cnn(C)c1)c1ccc(Cl)s1 44914834 OFPFBVKJPRJBFX-SECBINFHSA-N 312.826 3.038 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CSC[C@H](O)c1ccccc1 58328542 VXUMUZMYXCLGNQ-BMFZPTHFSA-N 307.459 3.148 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2cccnc2Cl)cc1 3397208 SZDWHQRJCWKDPU-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB CCC(=O)NC1C[C@@H]2CCC[C@@H](C1)N2Cc1ccc(C)cc1 100425345 UUXMIMRJZGIOPE-ROUUACIJSA-N 300.446 3.407 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(C=O)c2ccccc21 11612374 OHTDILXTEPRBOP-INMHGKMJSA-N 314.429 3.078 0 40 DGAB CC(C)NC(=O)CCS[C@@H]1CCc2ccccc2N=C1O 11865947 KWXDICYQMZQHIY-CQSZACIVSA-N 306.431 3.237 0 40 DGAB COc1ccc(Br)c(CNc2nc(C)cc(C)n2)c1 49321310 LNXVOFKCCYIMDG-UHFFFAOYSA-N 322.206 3.477 0 40 DGAB Cc1cc(N2CCNCC2)c2cc(Br)cc(C)c2n1 68136538 LJKQVBHDVHPKPS-UHFFFAOYSA-N 320.234 3.024 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)NCc1cccc(Cl)c1 5110197 RYFZWMMWFCCXLK-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2ncccc2c1 65488286 WGZOMIKATMCELT-UHFFFAOYSA-N 306.321 3.145 0 40 DGAB Cc1cc(C(=O)CN2C[C@@H](C)OC(C)(C)C2)c(C)n1C1CC1 65425193 DRHGUXFTMLEIOX-CYBMUJFWSA-N 304.434 3.122 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 14043500 HFAXNCUDBCCDKV-SKDRFNHKSA-N 318.373 3.190 0 40 DGAB C[C@@H](OC(=O)c1cccc(O)c1)C(=O)Nc1ccccc1Cl 9751952 UKBYEWVUMVLQHT-SNVBAGLBSA-N 319.744 3.230 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)c(OC)c1 9322117 IMDSMVZIOBAXNE-ZDUSSCGKSA-N 314.385 3.451 0 40 DGAB O=C(NCCCOC1CCCCC1)c1n[nH]c2ccccc12 6988846 QVLINFYXGVOALI-UHFFFAOYSA-N 301.390 3.032 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)CCCc1cccs1 4978521 WTYYWCGRAMVXGV-KBPBESRZSA-N 323.458 3.404 0 40 DGAB Cc1ccccc1NS(=O)(=O)c1ccc(F)c(F)c1F 7052930 VNFYABJHQHHYFM-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB FC(F)(F)COc1ccccc1CN1CCOC[C@H]1C1CC1 90008939 GMASNBXERLJWFD-AWEZNQCLSA-N 315.335 3.239 0 40 DGAB COc1ccc(NC(=O)CN(C)Cc2cccs2)cc1Cl 7846489 BWDDYLLLPIDFFX-UHFFFAOYSA-N 324.833 3.481 0 40 DGAB CCS(=O)(=O)c1ccc(C(=O)N(C)[C@H]2CCCC[C@H]2C)cc1 68986058 NKMBFBYZIBXXNX-CJNGLKHVSA-N 323.458 3.131 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 96451421 BAKVSYRIUWYHGH-JKSUJKDBSA-N 320.458 3.439 0 40 DGAB Cc1ccc(NC2CCN([C@@H](C)c3nnc(C)o3)CC2)cc1 69452049 DMBHWSXVPHMJBC-ZDUSSCGKSA-N 300.406 3.324 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](n2cccn2)C1 69432558 RDHFFPNPVDLSOY-MRXNPFEDSA-N 322.412 3.161 0 40 DGAB Cc1ccn(S(=O)(=O)c2cc(C)c(Cl)cc2Cl)n1 19943663 OSWCNHRRIHLHQV-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB OCc1ccc(CN2CCCCC[C@H]2C[C@@H](O)c2ccco2)o1 91963112 GZIXAZMYVVCAJR-WMLDXEAASA-N 319.401 3.233 0 40 DGAB CC[C@@H](NC(=O)COc1ccccc1OC)c1nc(C)cs1 69815369 GKBRTEIQFOSUFE-GFCCVEGCSA-N 320.414 3.106 0 40 DGAB CN1C(=O)C[C@@H](C(=O)N2CC[C@@H]2c2ccccc2)c2ccccc21 95954212 XYUJMYBUPQCFDU-IAGOWNOFSA-N 320.392 3.110 0 40 DGAB COc1cc([C@@H](C)Nc2ncccc2Cl)ccc1OCCO 88701945 RGMZBHZWHWCYSZ-LLVKDONJSA-N 322.792 3.288 0 40 DGAB COc1ccccc1CN[C@H](C)c1cnc2cc(C)nn2c1C 89610795 XJAOREHCUHATQX-CYBMUJFWSA-N 310.401 3.206 0 40 DGAB CCCCCNC(=O)N(Cc1ccco1)C1CCN(C)CC1 75572568 ZNUUXGNDFMTXFI-UHFFFAOYSA-N 307.438 3.076 0 40 DGAB CC(NC(=O)Nc1nccs1)(C(F)(F)F)C(F)(F)F 2307523 XDVSFEDQGJALFS-UHFFFAOYSA-N 307.219 3.148 0 40 DGAB biogenic Cn1c(SCCC(=O)c2ccccc2)nnc1-c1ccccn1 124802585 CBXCNDXMWBZIQT-UHFFFAOYSA-N 324.409 3.242 0 40 DGAB O=C(NC[C@@](O)(c1cccs1)C1CC1)c1c(F)cccc1F 75155278 NRGNKEIEOKETPD-INIZCTEOSA-N 323.364 3.054 0 40 DGAB CN(CC(=O)NCc1cccs1)c1nc2ccccc2s1 70972723 VSYCLPMGYSIEBZ-UHFFFAOYSA-N 317.439 3.110 0 40 DGAB COc1cccc(-c2nc(N(C)CCCO)c3ccccc3n2)c1 566150279 XYVKJSGNLNUQOF-UHFFFAOYSA-N 323.396 3.124 0 40 DGAB CC(C)c1ocnc1C(=O)N(C[C@H]1CCCO1)c1ccncc1 79310442 ZNLSWUOXLAEEEH-CQSZACIVSA-N 315.373 3.019 0 40 DGAB Cc1ccc2c(c1)CN(Cc1ccc(C)o1)[C@H](CN(C)C)CO2 72395299 CHUXXSNEGXKJEH-QGZVFWFLSA-N 314.429 3.221 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1F 42646073 RKMNICRDOBVCJN-UHFFFAOYSA-N 306.381 3.159 0 40 DGAB CC(C)c1cc(C(=O)NC[C@H]2CCc3ccccc3C2)cc(O)n1 1583720648 FIKMJPLWXBZUQX-AWEZNQCLSA-N 324.424 3.446 0 40 DGAB COCc1nc2cc(NC(=O)Cc3ccc(F)cc3)ccc2[nH]1 44893984 HZLNEPGKLLFOOT-UHFFFAOYSA-N 313.332 3.030 0 40 DGAB c1ccc(Sc2cc(N3CCOCC3)cc3nonc23)cc1 85409586 ZNUWROCDXOPQIQ-UHFFFAOYSA-N 313.382 3.211 0 40 DGAB CCS[C@H]1CCCC[C@H]1NCc1cc(-c2cnn(C)c2)no1 190049413 ICXAXXPDYXPZDF-ZBFHGGJFSA-N 320.462 3.229 0 40 DGAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123217 BRKKGXKFYZPXAQ-JSGCOSHPSA-N 305.422 3.479 0 40 DGAB Cc1cc(NC(=O)CSCc2cccc(C(C)C)n2)n(C)n1 193703865 LJVYUFSUNDYPCM-UHFFFAOYSA-N 318.446 3.119 0 40 DGAB C[C@H](C(=O)N1CCC(C(=O)c2ccc(F)cc2)CC1)C1CC1 194943973 FRLCQNFSZGKWHV-LBPRGKRZSA-N 303.377 3.293 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2cccs2)C1 96435902 FFFZWSOCSMQOOI-VXGBXAGGSA-N 324.446 3.058 0 40 DGAB CCN(CC)[C@@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1 96206020 QDHPLFQSJNMHEM-IAGOWNOFSA-N 308.491 3.213 0 40 DGAB CC(C)n1cnnc1SCC1CCN(C(=O)C(C)(C)C)CC1 97377177 DCSAQKBWLOYDBN-UHFFFAOYSA-N 324.494 3.236 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Cc2cn3ccccc3n2)cc1 96459985 WPSYJIVGSAXCEK-UHFFFAOYSA-N 314.410 3.432 0 40 DGAB Cc1n[nH]c(O)c1[C@H](/C=C/c1ccccc1)c1c(O)n[nH]c1C 96193461 AHXHVKOAXHQLPI-CMDGGOBGSA-N 310.357 3.006 0 40 DGAB CCS(=O)(=O)C(Cl)(Cl)C(=O)c1cccc(Cl)c1 96518123 BKCFEIHMZNOYOX-UHFFFAOYSA-N 315.605 3.089 0 40 DGAB O=C(Nc1cccc(NC(=O)[C@H]2CCOC2)c1)C1CCCCC1 96456092 OGJBAPVLBAAJHE-AWEZNQCLSA-N 316.401 3.180 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257336828 YQFAVORWFDAGBD-SFHVURJKSA-N 323.440 3.237 0 40 DGAB CC(=O)Nc1ccc(CN2CCCC[C@@H]2c2ccncn2)cc1 257215168 CPAROEIONSDMKI-GOSISDBHSA-N 310.401 3.162 0 40 DGAB CCOC(=O)C[C@@H](n1cc(C)c(C(F)(F)F)n1)C(F)(F)F 685936642 MZTKLANLOXJQCO-SSDOTTSWSA-N 318.217 3.267 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CCCc3[nH]ncc32)c1 89694739 IKKSTOLMFLAUFG-LBPRGKRZSA-N 313.401 3.471 0 40 DGAB C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(Cl)s1 89627940 KWHCXNLXSXQJLA-SECBINFHSA-N 309.884 3.265 0 40 DGAB Cc1ccc(C2(CNC(=O)N(C)C3CCC3)CCOCC2)cc1 74164818 OJXGDLAHXWFMEH-UHFFFAOYSA-N 316.445 3.237 0 40 DGAB CO[C@@H](CNC(=O)c1coc(Br)c1)c1ccccc1 77714675 CDRODOXMNMWTRS-LBPRGKRZSA-N 324.174 3.160 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccc(F)cc1 585300320 UYAUAVJTVQNNRK-UHFFFAOYSA-N 313.376 3.207 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@H]2C)c(Cl)c1 13010828 YAHXTDFNALRKFM-GFCCVEGCSA-N 324.833 3.215 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1cccc(C(=O)O)c1 13094722 KGFRINRMUGXQTA-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@H]2C)o1 162408897 CRWYEIAFULYWPF-TZMCWYRMSA-N 301.390 3.414 0 40 DGAB COc1ccc(Nc2nc(C(=O)N3CCCC3)cs2)cc1 4674681 BSZOYMFRMOFAFL-UHFFFAOYSA-N 303.387 3.131 0 40 DGAB CSc1ncccc1C(=O)NCC1(c2ccsc2)CC1 1889111446 REZNQBYJLWEEJA-UHFFFAOYSA-N 304.440 3.327 0 40 DGAB O=C(c1ccccc1)C1CCN(Cc2nnsc2Cl)CC1 14814039 LYLSTZAUZKADGC-UHFFFAOYSA-N 321.833 3.286 0 40 DGAB Cc1noc(COC(=O)C2c3ccccc3Oc3ccccc32)n1 23373639 PGPDFASIRAKOHI-UHFFFAOYSA-N 322.320 3.359 0 40 DGAB O=C(NC1CCCCC1)OCn1c(=O)oc2cc(Cl)ccc21 243363 BTHSZQJLDIMEHI-UHFFFAOYSA-N 324.764 3.264 0 40 DGAB COc1ccccc1CCNC(=O)C1(c2ccc(F)cc2)CC1 21695689 MVBZQUYUJFSDCI-UHFFFAOYSA-N 313.372 3.225 0 40 DGAB O=C(Nc1cccc2ncccc12)N1CC[C@H](OCC2CC2)C1 575618275 KYDMWKJZRGQPQX-AWEZNQCLSA-N 311.385 3.268 0 40 DGAB C[C@@](O)(CNC(=O)c1cccc2ccccc12)Cc1ccco1 206614048 SDEIQRJLMPCUOL-IBGZPJMESA-N 309.365 3.156 0 40 DGAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(F)cc2)cs1 12440480 WOHHRXPWPADEDT-UHFFFAOYSA-N 323.349 3.032 0 40 DGAB Cc1ccc2c(CC(=O)NC[C@H](C(C)C)N(C)C)coc2c1C 30610643 RTJZATGMHNVSRM-QGZVFWFLSA-N 316.445 3.295 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@]1(O)c1ccc(Br)cc1 55475 LGFVNGURPFMREG-MEBBXXQBSA-N 321.170 3.454 0 40 DGAB Cc1csc(N2CCN(C(=O)c3cc(C)sc3C)CC2)n1 30703488 NGWMPAHAIWMHRD-UHFFFAOYSA-N 321.471 3.092 0 40 DGAB Cc1nc(CSCCC(=O)N[C@H](C)c2ccccn2)cs1 40520888 SQJPPAFZZSHVKE-LLVKDONJSA-N 321.471 3.347 0 40 DGAB COc1cccc(C2=C[C@@H](c3ccc(F)cc3)n3ncnc3N2)c1 100990262 GTDFWWZRLVQIGN-KRWDZBQOSA-N 322.343 3.482 0 40 DGAB O=C1CS[C@@H](c2cccc(Cl)c2Cl)c2c[nH]nc2N1 20731674 RVALIYZLWQWJOT-NSHDSACASA-N 314.197 3.491 0 40 DGAB Cc1ccccc1OCCCN(C)Cc1nc(CC(C)C)no1 52457264 QCTAEWGQBNVUOY-UHFFFAOYSA-N 317.433 3.477 0 40 DGAB Cc1noc2nc(-c3ccccc3F)cc(C(=O)N3CCC3)c12 32893619 YKCNGSLDVHIFFV-UHFFFAOYSA-N 311.316 3.183 0 40 DGAB CCOc1ncccc1C(=O)NCC1(c2ccccc2)CCC1 32876572 CYBRIOGCAZHAHH-UHFFFAOYSA-N 310.397 3.332 0 40 DGAB Cc1ccoc1C(=O)OCc1cc(Cl)c2c(c1)OCCO2 21669075 DAYNIJRWHDTSJB-UHFFFAOYSA-N 308.717 3.370 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97001624 RHUXXYLDEYMSCC-MRXNPFEDSA-N 308.337 3.114 0 40 DGAB O=C1CN(c2ccccc2)C(=O)N1Cc1nc2ccccc2s1 47170122 JRKNRNWDIJWHJH-UHFFFAOYSA-N 323.377 3.265 0 40 DGAB Cc1ccc2[nH]c3c(=O)n(Cc4ccc(F)cc4)cnc3c2c1 500240 SOJCRKLFZDQQMH-UHFFFAOYSA-N 307.328 3.374 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)NCc2csc(C3CC3)n2)C1 78941666 ZMOGCBYRFHYZBW-ZYHUDNBSSA-N 311.476 3.104 0 40 DGAB C[C@@H]([C@@H](O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 1639152 USWUWAGJWLNXBZ-IONNQARKSA-N 302.214 3.212 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)N(C)c2c(C)noc2C)c1 79059409 WHGLPJZGPUVSGU-UHFFFAOYSA-N 320.324 3.057 0 40 DGAB CC[C@@H](CNC1CCN(C(C)=O)CC1)Oc1ccccc1Cl 79014956 NKLVBFJCENVEAX-HNNXBMFYSA-N 324.852 3.098 0 40 DGAB Cc1ccc([C@@H](NC(=O)c2cnn(C)c2)c2cccs2)cc1 22541511 ULLMJSQUFNQGIO-MRXNPFEDSA-N 311.410 3.309 0 40 DGAB C[C@H](NC(=O)CCc1cnn(-c2ccccc2)c1)c1ccncc1 22622132 MNBWLOJSZFHFHT-HNNXBMFYSA-N 320.396 3.077 0 40 DGAB CCOc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1 7309577 UNGFGYAACYMWBZ-AWEZNQCLSA-N 319.426 3.167 0 40 DGAB Cc1cccc(OC[C@@H](C)NC(=O)N[C@@H](C)c2nccs2)c1 72268151 KUXVSRZASZVICO-OLZOCXBDSA-N 319.430 3.279 0 40 DGAB C[C@H](NC(=O)c1cccc(Br)c1)c1ccccn1 24002817 LHWFFRLMPXKTPP-JTQLQIEISA-N 305.175 3.335 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cc(Cl)c[nH]1)c1ccc(C)cc1 24492576 COVWDZDONBADHD-ZDUSSCGKSA-N 320.776 3.011 0 40 DGAB Cn1cc(COC(=O)c2[nH]c3ccc(F)cc3c2Cl)cn1 56229532 WNROVDYPDCNWNB-UHFFFAOYSA-N 307.712 3.051 0 40 DGAB CCCC(O)(CCC)CNC(=O)c1oc2c(c1C)C(=O)CCC2 72292943 CZLLMBYGQMTLCI-UHFFFAOYSA-N 321.417 3.168 0 40 DGAB Cc1cccc(C)c1NC(=S)N[C@H]1CCCc2c1cnn2C 44137570 QQEXWBCZPQYKFB-AWEZNQCLSA-N 314.458 3.401 0 40 DGAB CCOc1cc(C(=O)O)ccc1OCCOc1ccccc1 3317479 WODYIEDJGMSCBV-UHFFFAOYSA-N 302.326 3.241 0 40 DGAB O=C(COc1ccccc1)OCCCC(=O)c1ccc(F)cc1 3313590 PQVHJYJWNCUHNC-UHFFFAOYSA-N 316.328 3.411 0 40 DGAB CCc1cnc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)s1 97112425 AQQDZWZRFKZFCC-LBPRGKRZSA-N 317.458 3.258 0 40 DGAB O=C(NCCc1cccc2cccnc12)c1ccc2c(c1)CCO2 29454744 IQMZYWOXSCKJFK-UHFFFAOYSA-N 318.376 3.142 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1ccccc1C(F)(F)F 3514654 RMKLGVMXWXZFNG-UHFFFAOYSA-N 313.231 3.094 0 40 DGAB CCOc1ccc(OCC(=O)c2ccc(O)c(C)c2O)cc1 11865788 UQOIFRAHVZGKBX-UHFFFAOYSA-N 302.326 3.067 0 40 DGAB COCCNc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 60242123 IKILBUINKKAYMX-UHFFFAOYSA-N 317.364 3.206 0 40 DGAB O=C(COc1ccc(F)cc1Cl)NCCc1ccccc1 2637470 NETCSVDNABPKNZ-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB CCOc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1F 12927120 QNZSRXTXCDJOHS-UHFFFAOYSA-N 317.316 3.263 0 40 DGAB CCOc1ccc(CC(=O)Nc2ccc(OC)cc2OC)cc1 13326313 PXQXZFLAJIJBRC-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB Sc1nnc(-c2ccc3ccccc3n2)n1-c1cccnc1 13550808 NOYQBOFUELXPKU-UHFFFAOYSA-N 305.366 3.166 0 40 DGAB O=C(CCC1CCCC1)N1CCN(C[C@@H]2CC=CCC2)CC1 49949256 ZOININOYIASADC-GOSISDBHSA-N 304.478 3.457 0 40 DGAB Cc1ccsc1[C@H]1C[C@@H]1C(=O)Nc1nc(C(C)C)nn1C 95431687 SKWJFMUCSOXWJW-QWRGUYRKSA-N 304.419 3.051 0 40 DGAB O=C(CSC1CCCC1)Nc1nc2c(s1)C(=O)CCC2 42382839 WRXYJUFIVQUDEN-UHFFFAOYSA-N 310.444 3.276 0 40 DGAB Brc1cccc(C2=NN=C(NC3CC3)SC2)c1 14201176 LBTOALKXLMRNLN-UHFFFAOYSA-N 310.220 3.008 0 40 DGAB Oc1ccc(-c2nnc(S[C@H]3CC3(Cl)Cl)o2)cc1 4735861 OVPNSZIDIJUZFR-QMMMGPOBSA-N 303.170 3.481 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(C)c(F)c1 9385101 CXYLUIPDOUNPTE-UHFFFAOYSA-N 316.332 3.353 0 40 DGAB C[C@H]1CN(Cc2ccccc2)C[C@H](C)C1N(C)Cc1ccon1 84705648 JNVZWDPBIUDILW-HOTGVXAUSA-N 313.445 3.263 0 40 DGAB CCCCCC[C@H](C)C(=O)OCc1nnc2ccc(Cl)nn12 84743056 INUJJRGZVKJMJI-NSHDSACASA-N 324.812 3.427 0 40 DGAB CC[C@H](NC(=O)c1n[nH]c2ccccc12)c1nc(C)cs1 71856459 PYCUFGABCAAIDN-NSHDSACASA-N 300.387 3.209 0 40 DGAB C[C@H](N(C)C(=O)c1ccc(-c2ccco2)[nH]c1=O)C(C)(C)C 71839144 XROJQDMJINLQOP-NSHDSACASA-N 302.374 3.142 0 40 DGAB Cc1c(Cl)ccc2c1N(C(=O)CCc1cnn(C)c1)CCC2 71914405 MZGINMXUQBJABA-UHFFFAOYSA-N 317.820 3.294 0 40 DGAB COc1ccccc1[S@](=O)Cc1cnn(-c2ccccc2)c1 83982695 BWBLNXALSNRHMI-QFIPXVFZSA-N 312.394 3.189 0 40 DGAB C[C@@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccn1 74279498 RZZMACHPHYAEJC-CYBMUJFWSA-N 319.368 3.297 0 40 DGAB CC[C@H]1CN2CCC[C@@H]2CN1Cc1ccc(OC(F)F)cc1 95962975 MDIXIPMADCBKCO-LSDHHAIUSA-N 310.388 3.347 0 40 DGAB Cc1ccc(C)c([C@H](O)COc2cccc(-c3nnco3)c2)c1 95974916 QYQLEVUOUSQIIT-QGZVFWFLSA-N 310.353 3.466 0 40 DGAB CCO[C@H](C)c1nccn1CC(=O)Nc1ccc(Cl)cc1 89521862 XHGQJHQBSCNILC-LLVKDONJSA-N 307.781 3.273 0 40 DGAB Cc1ccc2oc(Sc3nnnn3-c3ccccc3)nc2c1 513613093 AOCPCXCAKMYDHB-UHFFFAOYSA-N 309.354 3.263 0 40 DGAB COCCN1C(=O)S/C(=C/c2cc(C)n(C(C)C)c2C)C1=O 409129133 KDSMQGJGEZBQBO-NTEUORMPSA-N 322.430 3.369 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)Cc2cccs2)cc1OC 74611443 RGKLJTKKSMYEAR-JTQLQIEISA-N 323.389 3.324 0 40 DGAB NCc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2c2ccccc2)cc1 566193682 NZZFPGFCRAPDPN-RTBURBONSA-N 323.440 3.281 0 40 DGAB COc1ccc(Cl)cc1C(=O)N[C@H](C)c1c(C)nn(C)c1C 78996770 QAECOMJAHVRQJS-SECBINFHSA-N 321.808 3.190 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCc1cnn2c1CCCC2 225608497 ZMNKTFWJOLPBMD-CMDGGOBGSA-N 315.804 3.202 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NCc2ccco2)cc1OC 44901206 KXNIPMICZWRYOR-LLVKDONJSA-N 321.398 3.094 0 40 DGAB CCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCC 225452018 BKZYQKNPCUBGSO-KRWDZBQOSA-N 318.461 3.163 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)s1 46088430 CMXIFPMVBNBNOO-UHFFFAOYSA-N 316.382 3.418 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1cccc(C)c1 223891390 MPTOUODHQYNJRA-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB c1cncc(-c2nc(-c3cccnc3)nc(-c3cccnc3)n2)c1 98073394 UOSYDSDIRAXTTF-UHFFFAOYSA-N 312.336 3.058 0 40 DGAB COCCC1(C(=O)N2CC[C@@H](c3ccc(OC)cc3)C2)CCC1 97227820 NQUHLBRXHRQEGS-MRXNPFEDSA-N 317.429 3.218 0 40 DGAB O=C(N[C@@H](Cc1ccccc1)C(F)(F)F)c1ccncc1F 96477693 AGGKHVHDVMKMOA-ZDUSSCGKSA-N 312.266 3.124 0 40 DGAB CC[C@H](NC(=O)c1ccc(O)c(Cl)c1)c1c(C)nn(C)c1C 96441067 QPHNBRAMIIXPRU-ZDUSSCGKSA-N 321.808 3.277 0 40 DGAB Fc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)cc1 96055837 JBIHUZJBBNYOHO-MOPGFXCFSA-N 311.404 3.070 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)CN1CC(C)(C)[C@H]1[C@@H]1CCCO1 580380386 HFPFVCLENJKBPG-XYJFISCASA-N 324.509 3.207 0 40 DGAB N[C@@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccc(F)cc2)n1 95533925 DBGMEVUYWDGVPN-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB Cc1cnc(NC(=O)NCC2(C)Cc3ccccc3C2)s1 93923243 ZVTOUXGPUVOMAF-UHFFFAOYSA-N 301.415 3.378 0 40 DGAB COc1cccc(SCCn2cnc3ccsc3c2=O)c1 96423967 ASUALLZKPMVFPF-UHFFFAOYSA-N 318.423 3.259 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@H]1c1cnccn1 257272410 NCHKLMFOGUTTIE-SFHVURJKSA-N 322.412 3.054 0 40 DGAB CC[C@H](OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1)c1ccccc1 253374753 NKYWMAGCRMHOMJ-DKKFBQAASA-N 305.462 3.493 0 40 DGAB Cc1cc(N2CCC[C@H]2c2nc(C)cc(C(F)(F)F)n2)ncn1 257227787 FQWGKMWOXYHMNN-NSHDSACASA-N 323.322 3.244 0 40 DGAB Cc1nnsc1C(=O)N[C@H](C)Cc1csc2ccccc12 575620937 MWSVSXKZFFNRPA-SECBINFHSA-N 317.439 3.422 0 40 DGAB FC(F)(F)c1nnc2n1-c1ccc(Br)cc1CC2 575424154 WBTLKDIIAIONCD-UHFFFAOYSA-N 318.096 3.147 0 40 DGAB Cc1ccc(CC(=O)N2CCC([C@H]3CCCCN3C)CC2)cc1 585113253 VGSCOPDTELPVBN-LJQANCHMSA-N 314.473 3.260 0 40 DGAB COc1ccc(CN2C[C@H](OC)C[C@@H]2c2ncc[nH]2)c(Cl)c1 1548942857 ZXAFYFOVAVRDEB-UKRRQHHQSA-N 321.808 3.034 0 40 DGAB c1ccc2c(c1)OCC[C@@H]2CNCc1ccc(N2CCCC2)nc1 95412241 UAEFOSUNYMLHEX-QGZVFWFLSA-N 323.440 3.338 0 40 DGAB CC[C@H](Nc1ccc2nnc(C(F)F)n2n1)c1ncc(C)s1 95426280 ZAHPKORLZJXHNI-QMMMGPOBSA-N 324.360 3.390 0 40 DGAB CC[C@@H](C)C[C@H](C)NC(=O)Nc1cnn(CC(F)(F)F)c1 96435023 PHAOTOPUMYDOIQ-ZJUUUORDSA-N 306.332 3.392 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)sc2C1 5696752 GEQXSECHWINMQT-DCAQKATOSA-N 322.430 3.097 0 40 DGAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)ccc1Cl 5749983 SLJMSNNDRPYYNW-QWRGUYRKSA-N 301.839 3.315 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)NCCN1CCCCCC1 13710080 DGOLYTCAMAIGKR-CQSZACIVSA-N 324.852 3.100 0 40 DGAB CCc1cccc(C)c1NC(=O)/C(Cl)=C(/Cl)C(=O)O 17176651 CEJAFXRNLBHTRO-KTKRTIGZSA-N 302.157 3.270 0 40 DGAB COc1ccc(-c2ccc(/C=C\C(N)=O)o2)c(Br)c1 208754729 KXRMHBGOZGKCNO-DAXSKMNVSA-N 322.158 3.216 0 40 DGAB Cn1c(SCC(=O)Nc2ccc(Cl)cc2)nnc1C1CC1 413079 OMTWBJUASALOJU-UHFFFAOYSA-N 322.821 3.077 0 40 DGAB COc1ccc(CCNC(=O)Cc2c(F)cccc2Cl)cc1 5673749 QPHNCTSWLDARRZ-UHFFFAOYSA-N 321.779 3.389 0 40 DGAB Cc1noc(C)c1Cn1cc(C(F)(F)F)cc(Cl)c1=O 6886605 LVVXEOSYJMHEMQ-UHFFFAOYSA-N 306.671 3.174 0 40 DGAB CCN(CCOc1cc(C)ccc1C(=O)O)C(=O)OC(C)(C)C 1986274752 LWBQVCBAIHMLRF-UHFFFAOYSA-N 323.389 3.329 0 40 DGAB O=S(=O)(C1CC1)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 225658596 CEBWKKCDZPRTBV-CYBMUJFWSA-N 313.850 3.402 0 40 DGAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1cccc(Cl)c1 575614136 OKTUGRWHIOQOKM-AWEZNQCLSA-N 315.760 3.149 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2COc2ccccc2)on1 30186260 DDOWAINHIGRODN-UHFFFAOYSA-N 322.364 3.492 0 40 DGAB O=C(NCc1ccccc1)Nc1ccn(Cc2ccccc2)n1 40150002 BZBKSWJHJSRWHN-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2 101376137 WIXAYLYONJFMAP-KCQAQPDRSA-N 312.369 3.102 0 40 DGAB C[C@@H]1CC[C@@H]2C(=O)N(CNc3cccc(Cl)c3)C(=O)[C@H]2C1 102071059 GHTCTQKZYZCPNA-SWHYSGLUSA-N 306.793 3.131 0 40 DGAB CC1=C(C(=O)O[C@@H](C)C(C)(C)C)[C@@H](c2ccccc2)NC(=O)N1 36761 WMVIAMRXUDYHAP-SWLSCSKDSA-N 316.401 3.292 0 40 DGAB CC1=C(C)C[C@@H](C(=O)Nc2ccc(F)cc2F)[C@H](C(=O)O)C1 69673 FBPUHIZUSSEOAN-VXGBXAGGSA-N 309.312 3.351 0 40 DGAB Cc1cc(=O)[nH]c2sc(C(=O)c3cccc(Cl)c3)c(N)c12 268915 MNHIMDDEGBRJEU-UHFFFAOYSA-N 318.785 3.365 0 40 DGAB c1ccc(OCc2nnc3sc(-c4cccs4)nn23)cc1 384932 RYGAQRGPWLULQR-UHFFFAOYSA-N 314.395 3.493 0 40 DGAB CCOC(=O)c1ccc(-n2c(CC)nc3ccccc3c2=O)cc1 549286 OUTRQKYKDWRGEN-UHFFFAOYSA-N 322.364 3.125 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3F)oc2c1 557377 NLHMQGCSVFGZMK-UHFFFAOYSA-N 313.288 3.178 0 40 DGAB CC[C@@H](C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21 1350401 UZSJYEOPMYYKRT-SNVBAGLBSA-N 301.415 3.328 0 40 DGAB Cc1cc(=O)n2nc(-c3ccc(C(F)(F)F)cc3)sc2n1 1399810 FYPSTSHVUHKSPF-UHFFFAOYSA-N 311.288 3.145 0 40 DGAB Cc1ccc(Cl)c(OC(C)(C)C(=O)NC[C@@H]2CCCO2)c1 1459171 QSSIQDFGTOLLCP-LBPRGKRZSA-N 311.809 3.101 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1 1960531 RFJUWJDPXRCLHZ-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cc1cc(I)ccc1NC(=O)C(C)C 4017774 AWCMQBDYTFRWNM-UHFFFAOYSA-N 303.143 3.194 0 40 DGAB CN1CCN(c2ccc(NC(=O)/C=C/c3ccccc3)cc2)CC1 4062190 OBEOXMXUKJVLLO-KPKJPENVSA-N 321.424 3.090 0 40 DGAB CN1CCc2c(sc3c2C(O)=N[C@@H](/C=C/c2ccco2)N3)C1 4349423 XGLVTTABPAVMKO-MUBLQREKSA-N 315.398 3.099 0 40 DGAB Cc1cc(C)cc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)c1 4783496 LKWUFTVWLVQDEP-GOEBONIOSA-N 317.433 3.262 0 40 DGAB CN(Cc1ccco1)C(=O)COc1cccc2c1OC(C)(C)C2 6600721 PDBJSXYRICSLHK-UHFFFAOYSA-N 315.369 3.031 0 40 DGAB CNC(=O)CSc1ncnc2sc(-c3ccccc3)cc12 6637251 ICBZCWPXTLIYIS-UHFFFAOYSA-N 315.423 3.196 0 40 DGAB COC(=O)c1cn([C@@H](C)C(=O)N2CCCCC2)c2ccccc12 6955812 IXAFPEDUZZFOSY-ZDUSSCGKSA-N 314.385 3.001 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccccc1F 7487642 SSRWFQWYBNIHJT-GFCCVEGCSA-N 311.360 3.255 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)NCc1ccc(OC)cc1 8040812 GQXCIRMBLHNILA-MRXNPFEDSA-N 317.360 3.308 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c1 8714840 VSSYWDGSENBHFK-JSGCOSHPSA-N 311.447 3.115 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1 9322889 XHXYKLAENUBVND-UHFFFAOYSA-N 310.397 3.013 0 40 DGAB Cc1ccc(-n2cnnc2S[C@H]2C[C@H](C)OC2=O)cc1Cl 9365670 WTBIVZMEUICLPP-CABZTGNLSA-N 323.805 3.025 0 40 DGAB O=C(NC1CC1)c1cc(-c2ccc(O)cc2)nc2ccccc12 10278799 BSBINWKPUMLNOQ-UHFFFAOYSA-N 304.349 3.500 0 40 DGAB Cc1ccc(NCC(=O)NCc2ccco2)cc1Br 12526629 FGTIYMXLPSJHQI-UHFFFAOYSA-N 323.190 3.079 0 40 DGAB Cc1nc(N2CCC[C@@H](O)C2)c2c3c(sc2n1)C[C@H](C)CC3 12542907 IMTFJDJCPIZHNX-ZYHUDNBSSA-N 317.458 3.086 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCc3sccc3C2)cc1C 12771377 SYWNRKRFQSFWLS-UHFFFAOYSA-N 307.440 3.112 0 40 DGAB C[C@@H](Sc1nnnn1C1CC1)c1nc2ccccc2s1 12783606 MSSQHRHIBOLPQS-MRVPVSSYSA-N 303.416 3.471 0 40 DGAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 12877293 IFEJEYFRYKCQOA-HNNXBMFYSA-N 313.353 3.058 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1ccc(Cl)cc1Cl 12878302 HTMPJFCHVPKTJS-UHFFFAOYSA-N 322.151 3.415 0 40 DGAB Cc1ccccc1NC(=O)CCN1C(=O)[C@H](C)Oc2ccccc21 12998030 VYPWQVRQXANTSJ-AWEZNQCLSA-N 324.380 3.138 0 40 DGAB CC(C)(C(=O)NCCc1ccc(C(=O)O)cc1)c1ccccc1 13442308 DJSIMNFORVFOON-UHFFFAOYSA-N 311.381 3.021 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)OC 14113240 UMPHLMFQMSTQHT-XHDPSFHLSA-N 323.458 3.335 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N[C@H](c1cccs1)C(C)C 14139504 IBADVBJLHGKPFV-LBPRGKRZSA-N 314.432 3.029 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 14573984 XCWHZWLCCCBRJN-JTQLQIEISA-N 318.323 3.414 0 40 DGAB CC(C)(C)c1cc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)O)no1 17055307 OVTSMGWRJLRZKQ-FMPDERDJSA-N 320.389 3.048 0 40 DGAB CCOc1ccc([C@H]2SCC(=O)N2c2nccs2)cc1 17198269 CZXDVOYWHFJRPG-CYBMUJFWSA-N 306.412 3.320 0 40 DGAB CN(C)c1ncc(CN[C@@H]2[C@H]3CCC[C@H]3[C@H]2c2ccccc2)cn1 19585570 NISXXCWSZBUJAB-FCGDIQPGSA-N 322.456 3.215 0 40 DGAB Cc1nc2cc(NS(=O)(=O)c3cc(F)cc(F)c3)ccc2o1 20629182 DLUQRRFNOZNTDO-UHFFFAOYSA-N 324.308 3.215 0 40 DGAB O=C(Cc1coc(-c2ccccc2)n1)NCCc1cccc(F)c1 21046063 AZYSVZDWUQARSO-UHFFFAOYSA-N 324.355 3.382 0 40 DGAB Cc1ccc(-c2nc(NC(=O)COc3ccccc3C)no2)cc1 21800474 CWRRDPSPUWLJAO-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)OCC(=O)N2 22591715 ONQPMJICWNUZKL-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)Cc2ccccc2F)c1 25287176 LTWQMWHMMAOWNG-UHFFFAOYSA-N 324.359 3.285 0 40 DGAB Cn1cc(NC(=O)CCOc2ccc(Cl)c(Cl)c2)cn1 25310340 NLCVNSMATIGRHS-UHFFFAOYSA-N 314.172 3.135 0 40 DGAB c1ccc([C@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 29526029 RVMHXOAVHDDJEN-KRWDZBQOSA-N 323.396 3.313 0 40 DGAB Cc1ccc(C(=O)NC[C@@H]2CCN(c3ccccc3)C2)s1 31236135 MAMUCXIBASUVTE-AWEZNQCLSA-N 300.427 3.313 0 40 DGAB NC(=O)c1ccccc1OCc1nc2ccccc2n1C(F)F 31638428 UOHQUMLVJAIEHO-UHFFFAOYSA-N 317.295 3.109 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(NC(=O)NC3CC3)cc2)cc1 32668652 YUYJCILVSRMDKB-UHFFFAOYSA-N 323.396 3.209 0 40 DGAB c1ccc(-n2nnnc2CN2CCC[C@@H]2c2cccs2)cc1 32759280 IWQDNGNWYYZFLL-CQSZACIVSA-N 311.414 3.061 0 40 DGAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NCc1ccccc1F 32937717 NSLXKIZJIBOCMB-UHFFFAOYSA-N 324.359 3.215 0 40 DGAB CCOc1ccc(NC(=O)CSc2nnc(C(C)C)o2)cc1 33726440 RCRNVMSSJGBOKS-UHFFFAOYSA-N 321.402 3.323 0 40 DGAB COC(=O)c1cc(-c2ccc(F)cc2)nc2c(Cl)c(C)nn12 36615688 SYRJVKIIQRCZLT-UHFFFAOYSA-N 319.723 3.284 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cc(Cl)ccc1O)c1ccsc1 40070897 PIOAYBJDIDMESF-ZDUSSCGKSA-N 324.833 3.140 0 40 DGAB C[C@@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)N(C)c1ccccc1 40107991 BDACQVFNEMDZOY-SMDDNHRTSA-N 315.244 3.211 0 40 DGAB CC(C)(C)CC(=O)NCCNc1ncccc1C(F)(F)F 40152050 XURKLAFJQOODLA-UHFFFAOYSA-N 303.328 3.065 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(F)cc2C)cc1 41091198 HGHISXIYNCAUIR-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CC(C)(C)c1ccc(NC(=O)C(=O)NCCc2ccccc2)cc1 42646580 CUBRVQBNYBAFBT-UHFFFAOYSA-N 324.424 3.282 0 40 DGAB Cc1cc(C(=O)N(C)Cc2cc(Br)cs2)no1 44952827 MPDDTBVTZWJHFI-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB COC(=O)C[C@H](NC(=O)CCc1ccccc1)c1cccs1 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C[C@@H]1CCCN(CCCNC(=O)N[C@H](C)Cc2ccsc2)C1 62646755 MGGATPQORPPXAI-HUUCEWRRSA-N 323.506 3.100 0 40 DGAB COc1ccc(NCCc2n[nH]c(CC(C)(C)C)n2)cc1OC 62719363 SVBDRIUDGMBIEJ-UHFFFAOYSA-N 318.421 3.065 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(Cl)c1)N(C[C@@H]1CCOC1)C1CC1 64496580 SCWBWGQUAHEIPQ-AFAVFJNCSA-N 319.832 3.471 0 40 DGAB CC[C@H]1c2ccsc2CCN1c1ncnc2c1CN(C)CC2 65473943 JXBSPDGOSNJLMH-HNNXBMFYSA-N 314.458 3.040 0 40 DGAB COCc1cc(C[C@@H]2C[C@H](NCc3ccco3)C2(C)C)no1 67889876 NEYBNJMHGGJKBW-WBMJQRKESA-N 304.390 3.161 0 40 DGAB biogenic,in-vitro O=C(Nc1ccc(F)cc1F)N1CCC[C@@H]1CN1CCCCC1 69221215 QUXXHGKLWCKLIT-CQSZACIVSA-N 323.387 3.447 0 40 DGAB Cc1ccc(F)cc1NC(=O)N1CCc2ccc(O)cc2C1 69656776 XBSKMXOKLOJUOY-UHFFFAOYSA-N 300.333 3.430 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@H](n4ccnc4)C3)oc12 69660010 OVLGWRVIBJKQEY-HNNXBMFYSA-N 309.369 3.415 0 40 DGAB c1ccc(-c2nccc(N3CCC[C@H]3Cn3cccn3)n2)cc1 69740563 KKFIOLIGNFUTJB-INIZCTEOSA-N 305.385 3.009 0 40 DGAB CCc1c(-c2ccncc2)n[nH]c1NC(=O)/C=C/c1ccco1 69775673 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96434976 MAJOMLDCOUXTJM-DGCLKSJQSA-N 317.389 3.234 0 40 DGAB O=C(CCC(=O)N1CCOC[C@H]1c1ccccc1)c1ccccc1 96433012 ZCVXFNNHGZTZON-SFHVURJKSA-N 323.392 3.250 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)c2csc(COC)n2)C1 96451538 CMTLPTYTKROLNI-QWRGUYRKSA-N 314.476 3.084 0 40 DGAB Cc1cccc(S(=O)(=O)Nc2cnc(C3CC3)nc2)c1Cl 96492805 IMOUHVSMDCEKHM-UHFFFAOYSA-N 323.805 3.117 0 40 DGAB CCc1ccc([C@@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)C(C)(C)C)o1 96448380 RZGRNYIJFHFGAF-WOSRLPQWSA-N 320.433 3.165 0 40 DGAB Cc1csc([C@@H](NC(=O)[C@@H]2COc3ccccc32)C2CC2)n1 96425453 GJOCOTGRNJMVQU-HIFRSBDPSA-N 314.410 3.195 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N(C)[C@@H]1CCC[C@H]1O 585082448 VGTZIALFUCZEAK-VXGBXAGGSA-N 322.455 3.165 0 40 DGAB Cc1cn(C)c([C@@H]2CN(Cc3ccc4ccccc4c3)CCO2)n1 257231720 GHYCABMBROEQIC-IBGZPJMESA-N 321.424 3.455 0 40 DGAB Cn1cc(C(=O)N2CCCC[C@H]2c2ccn[nH]2)c2ccccc21 257341388 ZKDJIGTXACDYSG-KRWDZBQOSA-N 308.385 3.269 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)CCc2cccs2)C1 257292517 QLXMEJIJMDQDDO-CQSZACIVSA-N 317.458 3.194 0 40 DGAB COCC1(C(=O)NC[C@@H](C)c2nc3ccccc3s2)CCC1 252498622 RGFKMVJITLYQIU-GFCCVEGCSA-N 318.442 3.333 0 40 DGAB CO[C@@](C)(CNC(=O)c1c(F)cccc1F)c1ccccc1F 96123462 FBXCLIKARSHVLZ-KRWDZBQOSA-N 323.314 3.396 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc(Cl)cn1 24699462 CKMJUDZRTJGIJL-UHFFFAOYSA-N 304.733 3.035 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N3CCO[C@@H]4CCC[C@H]43)cc2c1 56193927 WNYWMFCWRZPSTL-QZTJIDSGSA-N 310.397 3.245 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)Cc1c(F)cccc1F 89894946 LBCNIQZRVWXBOT-SJKOYZFVSA-N 319.351 3.136 0 40 DGAB CSc1ccc(NC(=O)NCc2cccc(CO)c2)cc1F 76082011 INZSGFXUTZJCKW-UHFFFAOYSA-N 320.389 3.362 0 40 DGAB COC(=O)c1oc([C@@H](C)N2CCO[C@H](c3ccco3)C2)cc1C 91590786 SVOMTXUIOFUSFS-DOMZBBRYSA-N 319.357 3.102 0 40 DGAB CC(C)[C@](O)(C(=O)O/C=C1\CC2CCN1CC2)c1ccccc1 1641847 QFEXWEJQBDXMOT-XEYRCQSKSA-N 315.413 3.031 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@H]1COC2 101328514 KYCLIMMPQIKQJS-UWVGGRQHSA-N 301.173 3.389 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(F)cc1F 159954 GKSQYMHKSXOAQR-GQCTYLIASA-N 311.719 3.312 0 40 DGAB CC(C)N1CCC(CNC(=O)c2c(F)cccc2Cl)CC1 12442762 CGEYBFAXCNFWKA-UHFFFAOYSA-N 312.816 3.329 0 40 DGAB O[C@H](CNc1ncc(F)cn1)c1ccc(-c2cccs2)o1 1889160450 KRQAJSGGGQQXPM-SNVBAGLBSA-N 305.334 3.083 0 40 DGAB c1ccc2[nH]c(CSc3nnc4[nH]c5ccccc5n34)nc2c1 5491510 AVCXPPWAFDMANV-UHFFFAOYSA-N 320.381 3.379 0 40 DGAB c1ccc2nc(N3CCC[C@@H](COc4cnccn4)C3)ccc2c1 2298224361 ZGUMQWNQMXZUPD-OAHLLOKOSA-N 320.396 3.320 0 40 DGAB O=C(NCC(F)(F)F)c1cc(-c2ccccc2Cl)on1 40087016 HOVUFIAJWMLHAT-UHFFFAOYSA-N 304.655 3.287 0 40 DGAB COc1ncccc1CNC(=O)Nc1ccc(F)c(Cl)c1 40097680 NQAXNVKFJSYQFP-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB COc1cc2c(cc1OC)CN(c1nc3ccccc3o1)CC2 30619435 QZTQMOAUXOJVLV-UHFFFAOYSA-N 310.353 3.408 0 40 DGAB COC1CCN(C(=O)c2ccccc2C(=O)c2ccccc2)CC1 40479747 GEFAYSYFYFSTET-UHFFFAOYSA-N 323.392 3.169 0 40 DGAB CCc1nc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)sc1C 40553193 HUUMFJYUYANLFH-LLVKDONJSA-N 315.398 3.078 0 40 DGAB Cc1cc(NC(=O)CCCc2nc3ccccc3s2)n(C)n1 40512244 HWGKMCMASYHBOE-UHFFFAOYSA-N 314.414 3.300 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)c2cc(C)c(C)s2)cc1 32619470 VBBUDWDCFJUDSK-UHFFFAOYSA-N 323.439 3.411 0 40 DGAB c1ccc(Cc2nc3sc4c(c3c3nnnn23)CCCC4)cc1 316620 PPKRTFLGFONTEP-UHFFFAOYSA-N 321.409 3.204 0 40 DGAB COc1ccccc1NC(=O)NCc1ccc(-n2cccn2)cc1 32927861 PTTZXPPCFIQYAK-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)c1 60935 YEAXSQDSXXJKCB-UHFFFAOYSA-N 323.274 3.143 0 40 DGAB Fc1ccc(CSc2nncn2NCc2ccccc2)cc1 359853 VZZQNHAREABMFX-UHFFFAOYSA-N 314.389 3.453 0 40 DGAB CCn1c(C)nc2cc(C(=O)OCC(F)(F)C(F)F)ccc21 364428 ASBOXMCYNLNNRA-UHFFFAOYSA-N 318.270 3.422 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)cc1C 411081 YUAZBWVRWVITRB-UHFFFAOYSA-N 316.430 3.040 0 40 DGAB C[C@@H]1Oc2ccccc2N(CC(=O)c2ccc(Cl)cc2)C1=O 1328486 MGOJYHJADZOVSD-NSHDSACASA-N 315.756 3.337 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c1 1934049 HOQBDXINPQUIDG-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1 1981112 RHWXAWLBRVJDDW-LLVKDONJSA-N 317.316 3.018 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(F)cc2F)c1C 3231722 NZYCLPRLABHDHA-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1C 3231725 HBCDDHAFPJLRDE-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CCCCNC(=O)COC(=O)c1cc(Cl)cc(Cl)c1 3315598 HYNOXJKQIGPXJZ-UHFFFAOYSA-N 304.173 3.067 0 40 DGAB O=C(OCC(=O)N1CCCCCC1)c1ccc(F)cc1Cl 3316834 KRUHNGHCAQKUHW-UHFFFAOYSA-N 313.756 3.039 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)NCc1ccccc1Cl 3384251 LTJSMZOKGTZWKN-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB O=C1c2ccccc2[C@@H](O)N1COc1ccc(Cl)cc1Cl 4110059 QCHCPGFITXZMSS-CQSZACIVSA-N 324.163 3.477 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc2c3c(cccc13)C(=O)S2 4263951 NDXDIQFJCFSPHL-UHFFFAOYSA-N 321.423 3.116 0 40 DGAB Cc1ccc(C)c(CSc2nc3c(c(=O)n2C)SCC3)c1 4339310 QRSGLPJWKHZVCN-UHFFFAOYSA-N 318.467 3.338 0 40 DGAB CCCC(=O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 4703792 YOLZMXPWEOPGNX-UHFFFAOYSA-N 315.325 3.286 0 40 DGAB Cc1ccc2c(c1)cc(C(=O)NCc1ccc3c(c1)OCO3)n2C 4711947 DNFHHUBLZUSQTC-UHFFFAOYSA-N 322.364 3.145 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1ccccn1 4910128 MYPCFYGMHXGXSO-MRXNPFEDSA-N 308.341 3.020 0 40 DGAB C/C=C1\CN2CC[C@]34c5ccccc5N5C(=O)CC[C@@H]([C@H]53)[C@H]1C[C@H]24 5049467 GLXCOWMFBYYQSW-FWJGCXHUSA-N 320.436 3.104 0 40 DGAB O=C(CSc1nc(-c2cccs2)n[nH]1)Nc1ccccc1 6529867 JSLNNBMNZZYKRR-UHFFFAOYSA-N 316.411 3.264 0 40 DGAB CC[S@](=O)c1ccccc1C(=O)NCc1ccc(C)cc1 6882018 XCPNPNCGRKEGDG-OAQYLSRUSA-N 301.411 3.053 0 40 DGAB CCc1cc2c(=O)n([C@H](C)C(=O)c3ccccc3)cnc2s1 7995041 FHGGASKESUUWNQ-LLVKDONJSA-N 312.394 3.464 0 40 DGAB Cn1c(SCc2ccc(-n3cccn3)cc2)nnc1C1CC1 8325621 WHIIOUBKVJYDQY-UHFFFAOYSA-N 311.414 3.171 0 40 DGAB CCCCCCNC(=O)CSc1ccc(NC(C)=O)cc1 8557899 LSDUSDVVGBEXTK-UHFFFAOYSA-N 308.447 3.434 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)NCc1ccc(C)n1C 8940703 LPIPUBFWXRDXRB-UHFFFAOYSA-N 309.369 3.227 0 40 DGAB Cc1c(C(=O)NCc2ccc(F)cc2)cnn1-c1ccccc1 8981000 HNQPLWGDMVRHOX-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB CN(C)c1ccc(CCCNC(=O)Cc2ccc(F)cc2)cc1 11693647 FMRLBFCCLIDAIO-UHFFFAOYSA-N 314.404 3.183 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccccc2O)cc1Cl 12736015 MPZGPVTYSRGHEF-UHFFFAOYSA-N 304.733 3.256 0 40 DGAB Cc1ccccc1NC(=S)N1CCN(Cc2ccco2)CC1 13769430 RVEYKXKDRCUDKN-UHFFFAOYSA-N 315.442 3.103 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)NC2CCCC2)CC1 13945736 TYQHJANYIBMWKO-UHFFFAOYSA-N 300.446 3.266 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCCOc2cc(C)ccc2C)c1 18601589 HEWIVCSWPWQIAB-UHFFFAOYSA-N 301.342 3.070 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC(c2cc3cnccc3[nH]2)CC1 19579874 TUCAGLOMSGIREI-UHFFFAOYSA-N 324.384 3.188 0 40 DGAB Cc1ncc(C(=O)Nc2ccc(Br)cc2F)c(C)n1 19936970 BKUMVDYNPYOPIN-UHFFFAOYSA-N 324.153 3.247 0 40 DGAB C[C@H]1CCCN(Cc2ccc(C(=O)NCc3ccco3)cc2)C1 20107422 IHTFROIACGJGCT-HNNXBMFYSA-N 312.413 3.442 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1cccc(OCC(C)C)c1 22838022 NNCFAGWWKGIXGX-UHFFFAOYSA-N 301.390 3.324 0 40 DGAB COc1ccccc1CC(=O)N[C@H](C)c1ccc(F)c(F)c1 23547808 XUSJFULOJUYQFY-LLVKDONJSA-N 305.324 3.393 0 40 DGAB Cc1cccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)n1 32754674 XLCJTKFXJQZIKN-UHFFFAOYSA-N 318.380 3.196 0 40 DGAB CC(C)(C)c1ccc(CN2Cc3ccccc3C[C@H]2C(N)=O)cc1 34868055 PBWTXTCJPABMRK-IBGZPJMESA-N 322.452 3.396 0 40 DGAB C[C@H](Cc1cccc(Cl)c1)NC(=O)c1cc(C2CC2)[nH]n1 36396813 YKRHKJZFJOPDEH-SNVBAGLBSA-N 303.793 3.302 0 40 DGAB O=C(NCc1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 40088357 HZBJHOOYTAWBLK-LJQANCHMSA-N 323.440 3.150 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2noc3c2CCCC3)cc1 40157203 VOVFSMQNXMTXQO-GFCCVEGCSA-N 314.385 3.443 0 40 DGAB Cn1ccc2ccc(C(=O)N3CCO[C@H](c4ccccc4)C3)cc21 40284534 ZLKVZERAZRIPNE-IBGZPJMESA-N 320.392 3.392 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)c(N)c2)C1 40294697 AQOCWOGSMNTVTJ-NXEZZACHSA-N 311.223 3.149 0 40 DGAB CNC(=O)c1ccccc1OCc1cc(-c2ccccc2)on1 42120536 QCAFCJOFHKSOQY-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CCOC(=O)c1cnc2ccc(OC)cc2c1Br 47913095 JQGFRMBBTLWQHW-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB CCOC(=O)c1cnc2c(F)cc(F)cc2c1Br 47913126 CMRCCHMZBRLLFQ-UHFFFAOYSA-N 316.101 3.452 0 40 DGAB O=C(NCc1ccc(F)cc1F)c1ccc(Br)o1 55460661 KIUWTMOMKOTFRL-UHFFFAOYSA-N 316.101 3.250 0 40 DGAB O=C(NCc1ccco1)c1cc(-c2ccccc2Cl)[nH]n1 57413543 VITMGSOFABIHCC-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB O=C(Nc1cc(-c2cc3ccccc3o2)n[nH]1)c1cccnc1 58161450 NKKZWLGLHZBNCQ-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB COc1ccc(C(C)=O)cc1CSc1nnc(C(C)C)n1C 58331662 JSLXARAWPIPIFB-UHFFFAOYSA-N 319.430 3.442 0 40 DGAB O=C(Nc1ccnn1C1CCCC1)c1cc(=O)c2ccccc2o1 58407474 MVQSAZUIXVHUMG-UHFFFAOYSA-N 323.352 3.357 0 40 DGAB COc1ccc(CCCNC(=O)NC2CCCCC2)cc1OC 64960461 QOHSWYSOHUDTCH-UHFFFAOYSA-N 320.433 3.268 0 40 DGAB CCOC(=O)c1cnc2c(OC)ccc(OC)c2c1NC1CC1 65493971 PTYQAARXLKSGCZ-UHFFFAOYSA-N 316.357 3.003 0 40 DGAB Cc1cc(NC(=O)NCC(C)(C)N[C@H](C)c2ccccc2)no1 65563188 IZAYGHJSWKXHTQ-CYBMUJFWSA-N 316.405 3.234 0 40 DGAB CCOC(=O)COc1ccc(Cl)c2cc(Cl)cnc12 65740947 ALLATOGUWSCHBO-UHFFFAOYSA-N 300.141 3.484 0 40 DGAB in-vitro CC(=O)N(C)Cc1cccc(NC(=O)NC[C@@H]2CC=CCC2)c1 69179523 YCMPSKXVRZHORS-OAHLLOKOSA-N 315.417 3.143 0 40 DGAB Cc1ccc(-c2nc(CN3CCc4cncnc4C3)cs2)o1 69489609 GTUCHTUUIMKCLD-UHFFFAOYSA-N 312.398 3.060 0 40 DGAB CC(C)c1nc(CCNC(=O)Cc2cccc(F)c2)cs1 69532702 VRLXTBYZAVQQJF-UHFFFAOYSA-N 306.406 3.307 0 40 DGAB Cc1noc(C)c1Cc1nn2c(-c3ccsc3)nnc2s1 71282761 LOTXIQBBSKENLT-UHFFFAOYSA-N 317.399 3.110 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)N(C)Cc2ccncc2)c1 71857047 RWLTTYILCYADRQ-UHFFFAOYSA-N 321.384 3.240 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(Cl)cc2)cc1C 72227866 PLHMNBYXIRIYQY-JKSUJKDBSA-N 300.789 3.372 0 40 DGAB NC(=S)Nc1ccc(NC(=O)c2ccccc2Cl)cc1 72229734 VPJLHCOCLBWLTQ-UHFFFAOYSA-N 305.790 3.248 0 40 DGAB CCn1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)c(C)n1 72346733 FDRFPHOFAUOQRU-INIZCTEOSA-N 323.400 3.065 0 40 DGAB CN1CCC[C@@H]1c1cccc(C(=O)Nc2ccc(Cl)cn2)n1 72365697 NVZVAGMUASBAKV-CQSZACIVSA-N 316.792 3.149 0 40 DGAB CC[C@H](NC(=O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 73279914 DLICIMROMQUZLI-BDAKNGLRSA-N 322.352 3.298 0 40 DGAB CC(C)c1ocnc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 74036994 QVUYLPMGIKPMHF-ZDUSSCGKSA-N 324.384 3.475 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCC(C)(C)C2OCCO2)c1 74089437 ZEHYAVGANJMBGC-UHFFFAOYSA-N 305.418 3.213 0 40 DGAB Cc1oc(-c2ccco2)nc1CC(=O)NC[C@H]1Cc2ccccc21 79333646 ZKNGXRWPNOPSCX-CQSZACIVSA-N 322.364 3.242 0 40 DGAB CCOC[C@@H]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 81637048 ZQNJGNSQCLQKLA-LLVKDONJSA-N 311.451 3.331 0 40 DGAB COc1ccc(C(=O)N(C)C[C@H]2OCCc3ccccc32)cc1 83859366 IIMIXYPZAJJKEO-GOSISDBHSA-N 311.381 3.081 0 40 DGAB c1ccc(Cn2ccnc2CNCc2cccc3cn[nH]c23)cc1 84049098 FTDRBFBYSGFUGN-UHFFFAOYSA-N 317.396 3.098 0 40 DGAB COc1ccc(Cc2noc(-c3ccc(C)nc3)n2)cc1OC 84191272 LIARPKVMFKZMCR-UHFFFAOYSA-N 311.341 3.048 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)N[C@@](C)(CO)C2CC2)c1 84656158 GDUMKCXAJJOTPD-ZBEGNZNMSA-N 308.447 3.393 0 40 DGAB C[C@@H](c1ncc(C(C)(C)C)o1)S(=O)(=O)c1ccc(O)cc1 85228888 LILSAPMVLPVKNQ-JTQLQIEISA-N 309.387 3.213 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N1CCC[C@@H](C(F)(F)F)C1 89598102 JSJFLRKJMUGRMR-MRVPVSSYSA-N 320.340 3.222 0 40 DGAB COc1ccc(C)cc1CC(=O)N1CCCC[C@@H]1c1cn[nH]c1 89616481 PLPFHYXWYVVESH-MRXNPFEDSA-N 313.401 3.023 0 40 DGAB O[C@H](CN[C@H]1CCc2c(Br)cccc21)c1ccco1 91281849 KTPOAYVGIVDAGN-UONOGXRCSA-N 322.202 3.353 0 40 DGAB CCc1ccc([C@H](C)NC[C@H]2CCN(CC(F)(F)F)C2)o1 95420515 STLKUDJDLBPOJR-NWDGAFQWSA-N 304.356 3.377 0 40 DGAB C[C@@H](NC1CCN(C2CCCC2)CC1)[C@@H](O)c1ccc(F)cc1 95968092 ULCJAOGYZDLYKO-AUUYWEPGSA-N 320.452 3.244 0 40 DGAB O=c1[nH]c(-c2ccc(C(F)(F)F)cc2)nc2c1CCSC2 96285041 VKSDILZMXGBZJR-UHFFFAOYSA-N 312.316 3.245 0 40 DGAB Cc1ccc(C[S@@](=O)Cc2cc(F)cc3c2OCOC3)cc1 96404550 YOJRCWNPLUNBGW-QFIPXVFZSA-N 320.385 3.450 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)cn1 96432909 MSVXRQIWUQSJCT-MSOLQXFVSA-N 310.397 3.118 0 40 DGAB Cc1cnn(CCC(=O)N2CC[C@H](C)C[C@@H]2c2ccc(C)o2)c1 96433163 URUMDCGACJNZQV-XJKSGUPXSA-N 315.417 3.483 0 40 DGAB COc1ccc(CN(C)C(=O)CN2c3ccccc3C[C@H]2C)cc1 96969057 GIENEJUKVUULCP-OAHLLOKOSA-N 324.424 3.105 0 40 DGAB CC(=O)N(C)CC(=O)Nc1ccccc1NCC1CCCCC1 97083339 PWQKCIPHJGJJFG-UHFFFAOYSA-N 317.433 3.096 0 40 DGAB Cc1ccc(CNC2CCN(C)CC2)c(OCc2ccco2)c1 97228485 YPSXYZGWNNJQHR-UHFFFAOYSA-N 314.429 3.351 0 40 DGAB C[C@H](C[C@@H](O)c1cccs1)NCc1cccc2cn[nH]c12 97230189 ULSPIENDXISLGZ-BXUZGUMPSA-N 301.415 3.226 0 40 DGAB COc1ccc(-c2nc(CN[C@H](C)c3ccc(C)o3)no2)cc1 97373958 MBVVTJVZTPHJFP-GFCCVEGCSA-N 313.357 3.497 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCCc3ccccc31)OC2=O 100260278 ABWBCQMJMOTENL-OALUTQOASA-N 313.397 3.088 0 40 DGAB C[C@H](NC(=O)/C=C\C(=O)N[C@H](C)c1ccccc1)c1ccccc1 104378385 BWKUFQKDNTWLMO-MVPIGEGGSA-N 322.408 3.297 0 40 DGAB CN(CCc1ccncc1)Cc1nc(C(F)(F)F)cs1 174966496 JPZRLEXVYOISCL-UHFFFAOYSA-N 301.337 3.231 0 40 DGAB C[C@@H](CC(=O)Nc1ccc(F)cc1)CC(=O)Nc1ccccn1 199423139 JLJXPAHASIMOFA-LBPRGKRZSA-N 315.348 3.214 0 40 DGAB O=C(Nc1cccs1)N[C@@H](c1cccnc1)C1CCOCC1 225623289 OXYZCBHOLXOZPX-OAHLLOKOSA-N 317.414 3.433 0 40 DGAB CCCOC1(C(=O)Nc2cnc(OCC)c(C)c2)CCCC1 225909202 JSNXNCQTEPIJFO-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB Cc1cccc(NC(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)n1 226747316 WLPUAAQECNMLNP-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@@H]2CCCCN2)n1 257240129 HSDYRUQDLJCIJP-HNNXBMFYSA-N 300.381 3.163 0 40 DGAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@H]1c1ccn[nH]1 257270143 MSYDGRXPSWLOSC-INIZCTEOSA-N 312.348 3.398 0 40 DGAB Cc1nc(Nc2nc(C)c(C)s2)cc([C@H]2CCN(C)C2)n1 257317667 VKRLCHMQHPJEKR-LBPRGKRZSA-N 303.435 3.021 0 40 DGAB CC(C)c1ncsc1C(=O)N1CCCC[C@H]1c1ccnn1C 333683463 BCIUFNTYUIBLSX-ZDUSSCGKSA-N 318.446 3.367 0 40 DGAB CN(c1ccc(O)cc1)S(=O)(=O)c1cc(F)cc(Cl)c1 390835080 CFAFOWYKXIGBHP-UHFFFAOYSA-N 315.753 3.010 0 40 DGAB CC[C@@H](C(=O)O)[S@@](=O)C(c1ccccc1)c1ccccc1 526892633 FDZGMDATCSKXHT-YCRPNKLZSA-N 302.395 3.388 0 40 DGAB COc1ccc(OC2CCN(c3ncc(C)c(C)n3)CC2)cc1 535721184 XBKMMCHEHYFRAH-UHFFFAOYSA-N 313.401 3.150 0 40 DGAB Cc1nc(C(=O)N[C@@H](c2ccc(Cl)nc2)C2CC2)c(C)o1 585088179 NTJYIQLVRSZWGI-CQSZACIVSA-N 305.765 3.221 0 40 DGAB Cc1ccc2c(c1)CCN2C(=O)C1=NO[C@@H](c2ccccc2)C1 1525416085 KMOMJYARWVXHQC-GOSISDBHSA-N 306.365 3.402 0 40 DGAB CCc1nnc(NC(=O)COc2ccc3ccccc3c2)s1 51510 QAZVHYSZQRGANU-UHFFFAOYSA-N 313.382 3.271 0 40 DGAB O=C(Nc1nc(=O)c2ccccc2s1)c1ccc(F)cc1 18137291 LLXRHWMYQMGCDT-UHFFFAOYSA-N 300.314 3.048 0 40 DGAB aggregator COC(=O)[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)C(C)C 537373 MAGZIUUWXHKWRM-NSHDSACASA-N 318.295 3.025 0 40 DGAB COc1ccc(-c2nnc(SCc3ccccn3)n2C)cc1 919869 ZCDAROOEPIFQOK-UHFFFAOYSA-N 312.398 3.178 0 40 DGAB COc1ccc(-c2c(Cc3ccccc3)n[nH]c2N)cc1OC 6606581 TUORIFDDBYQAGE-UHFFFAOYSA-N 309.369 3.267 0 40 DGAB O=C(c1cccc2cccnc12)N1CCCC[C@H]1Cn1cccn1 69929661 LBOVZOYELJGMEC-INIZCTEOSA-N 320.396 3.126 0 40 DGAB Cc1cc2ncc([C@H](C)Nc3cnn(C(C)(C)C)c3)c(C)n2n1 97231602 CRFUGCSZOTVMFY-LBPRGKRZSA-N 312.421 3.471 0 40 DGAB Cc1cccc(CN2C[C@H]3CC[C@H]2[C@H]3OCCN2CCCC2)c1 107265727 KFPFBTMPCYIIID-AABGKKOBSA-N 314.473 3.070 0 40 DGAB O=C1CCC(=O)N1Cc1cn(Cc2ccccc2)c2ccccc12 1274608 HEJPCCHDJXMCRJ-UHFFFAOYSA-N 318.376 3.339 0 40 DGAB CSc1nc(N2CCOCC2)c2sc3ccccc3c2n1 1406880 XAMIOMUUDVCJAN-UHFFFAOYSA-N 317.439 3.403 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 12528423 DAIGYWRKVPCNOI-UHFFFAOYSA-N 321.380 3.132 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)Cc1ccccc1 20137085 BRGKBXQGEWCABH-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB COc1ccc(NC(=O)c2cnc(C)s2)cc1OC(F)F 58166187 BRZVHWNLPJXXJD-UHFFFAOYSA-N 314.313 3.314 0 40 DGAB Cc1nc(-c2ccc(CCNC(=O)COC(C)C)cc2)cs1 58227476 DEOPHIMMZDKMBZ-UHFFFAOYSA-N 318.442 3.202 0 40 DGAB CNC(=O)c1cc(NC(=O)/C=C/c2ccc(C)o2)ccc1Cl 58201574 SPROGYBUNQDDDV-SOFGYWHQSA-N 318.760 3.253 0 40 DGAB CC[C@H](C(=O)N1CCC[C@@H](c2nc(C)no2)C1)c1ccccc1 44979324 GLRFBWMMZUMEQB-CVEARBPZSA-N 313.401 3.278 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2cc(C)oc2C)c1 24581386 QHRKWFZTAYERQC-UHFFFAOYSA-N 310.357 3.427 0 40 DGAB O=C(COC1CCCCC1)NCc1ncc(-c2ccccc2)[nH]1 58355483 ZQMFIQAXPNAULN-UHFFFAOYSA-N 313.401 3.042 0 40 DGAB C[C@@H](NC(=O)CCc1ccco1)c1ccc(-n2ccnc2)cc1 28634791 QZXMHTDVUDOCSJ-CQSZACIVSA-N 309.369 3.275 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(C)cc2)cc1OC 20489812 ABDOYYCKCNDHLX-AWEZNQCLSA-N 313.397 3.432 0 40 DGAB CCOC(=O)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 2506841 ZOKKCCACHYBHRS-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB CCN(CC)[C@H](C)CNC(=O)N1CCC[C@H]1c1ccc(F)cc1 46266371 RWOZIPJBJYGKHH-PBHICJAKSA-N 321.440 3.403 0 40 DGAB Cc1cc(C)cc(NC(=O)CCCNC(=O)c2ccco2)c1 12906390 CHRNUPZSYNJXGT-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB CCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 13006632 MDYRXSUOBXSJML-UHFFFAOYSA-N 315.392 3.420 0 40 DGAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)Nc1c(C)nn(C)c1OC 96443129 AZEOPSQOABOTAT-UBHSHLNASA-N 323.437 3.050 0 40 DGAB Cc1cccc(C[C@]2(C(=O)O)CCCN2C(=O)OC(C)(C)C)c1 4241042 ZIGTYSBIVWDRDS-SFHVURJKSA-N 319.401 3.392 0 40 DGAB Cc1cc(N[C@@H](C)Cc2ccncc2)nc(N2CCCCC2)n1 65382487 XAIXAWRLGAUUHU-AWEZNQCLSA-N 311.433 3.213 0 40 DGAB O=C(N[C@H](c1ccccc1)c1ccccn1)c1ccnc(F)c1 65489426 DGLRHIDBIHDMSA-QGZVFWFLSA-N 307.328 3.135 0 40 DGAB Cc1nc(C(=O)NCCc2ccc(C(F)(F)F)cc2)cs1 65474502 NVNBSYCOKPYOAQ-UHFFFAOYSA-N 314.332 3.443 0 40 DGAB COC(=O)c1cc(NCc2cc(C)on2)cc(C(F)(F)F)c1 65611854 YOIYITYLIIQKRE-UHFFFAOYSA-N 314.263 3.401 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccc2c(c1)CCC2 14254282 JLUUDIILWZRXFG-CQSZACIVSA-N 324.424 3.473 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1cccc2ncccc12 14314195 AHKJSZGTUHFGRH-UHFFFAOYSA-N 319.408 3.226 0 40 DGAB O=C(NCc1ccccc1)c1ccccc1NC(=O)C(F)(F)F 4784081 PGVHAICVEKWJTM-UHFFFAOYSA-N 322.286 3.117 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](NC1CC1)c1ccccc1 7387728 JWBKTYINXWGDOE-SFHVURJKSA-N 310.397 3.435 0 40 DGAB C[C@@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1 8156957 CTJAOMDQOQVBJQ-GFCCVEGCSA-N 305.374 3.022 0 40 DGAB COc1ccc(NC(=O)c2ccc(-n3cccn3)cc2)c(OC)c1 8132828 PKCVKVMZFDHBMD-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB COC(=O)C1CCC2(CCCN(C(=O)OC(C)(C)C)C2)CC1 91303020 RAHKWAXWABYACO-UHFFFAOYSA-N 311.422 3.367 0 40 DGAB CCSc1nnc(NC(=O)CCc2ccc(F)cc2)s1 8325214 NQFLUVJHVRQZRV-UHFFFAOYSA-N 311.407 3.361 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCc2ccccc2Cl)c1 20036029 ZCFQFDQPEVNGQI-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB CCC(C)(C)NC(=O)[C@H](C)[S@](=O)Cc1cc(C)ccc1C 69529695 DDPDXJGKHBNDOG-QKKBWIMNSA-N 309.475 3.245 0 40 DGAB COc1ccc(C(=O)OCc2cc(-c3cccs3)on2)cn1 8516582 JMPRODJXYDCZLU-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N1CCCN2CCC[C@@H]2C1 71884633 MTIRSTQVBUSHIV-IXDOHACOSA-N 318.848 3.140 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2C[C@@H](C)CC[C@@H]21 71825520 VLGGSSPYQQXWST-MJEQTWJJSA-N 303.450 3.007 0 40 DGAB CC[C@H](NC(=O)NCc1csc(C)n1)c1nc(C)cs1 71856637 DDQCKWZRCJQGSO-NSHDSACASA-N 310.448 3.167 0 40 DGAB CC(C)(C)c1ccc(-c2ccc(C(=O)N3CC[C@H](N)C3)o2)cc1 97020013 MXEINWIGUAXHSM-HNNXBMFYSA-N 312.413 3.417 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)N1CCC(c2ncc[nH]2)CC1 72309891 YLIWZIPEVFDSLH-UHFFFAOYSA-N 309.373 3.303 0 40 DGAB CCCCCC(=O)N1C[C@@H]2CN(Cc3ccccc3)C[C@@H]2C1 75107360 VAXSVYPLRGAEBD-HDICACEKSA-N 300.446 3.157 0 40 DGAB CC(C)C(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1ccccc1 65625601 FPCZEERIIPDADB-MSOLQXFVSA-N 300.446 3.298 0 40 DGAB COc1cccc(-c2ccc3nc([C@@H]4CCCN(C)C4)nn3c2)c1 306122964 AAWUFCFZHGHOHZ-MRXNPFEDSA-N 322.412 3.214 0 40 DGAB CCOc1ccc(NCCc2n[nH]c(C3CC3)n2)cc1OCC 62719381 OFCDSOVENLTISA-UHFFFAOYSA-N 316.405 3.134 0 40 DGAB C[C@H]1CCN(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)C1 548758241 SJEBJLOKNLIQOD-ZDUSSCGKSA-N 312.417 3.204 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1Cl 409380673 ASQIXDLVANOVKS-LBLXLQPISA-N 322.191 3.301 0 40 DGAB Clc1nccc(I)c1Br 8698086 WYWOYISCYDNWEC-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB Oc1ccccc1-c1nc2cnccn2c1NCc1ccco1 72341860 LTHMKRWGUFWQEB-UHFFFAOYSA-N 306.325 3.307 0 40 DGAB CCc1cccc(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1 78457859 VUBVBYWMSMCYIQ-XCGNWRKASA-N 322.474 3.450 0 40 DGAB O=C(O)c1ccc(N2CCCN(Cc3ccccc3)C2=O)cc1 34798149 BJOZFWZVESXAAU-UHFFFAOYSA-N 310.353 3.217 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NCCSC2CCCC2)cc1 31236422 IOVLOTSNFUSPLV-ZDUSSCGKSA-N 323.458 3.255 0 40 DGAB CC(C)(C)Oc1ccc(C(=O)O)cc1I 39951775 OFXYHLRNWQZWJF-UHFFFAOYSA-N 320.126 3.167 0 40 DGAB COc1ccc([C@H](C)NCC(C)(C)C(N)=O)c2ccccc12 183642947 OEYAIPVJCRSKLV-LBPRGKRZSA-N 300.402 3.011 0 40 DGAB O=C(O)c1ccc(OCc2cccc(Br)c2)cc1O 138987529 FHVYGCXYPDBBLQ-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB CC(C)COC1CCN(Cc2ccc(F)cc2C(=O)O)CC1 572533132 UCNHAEUMQPMEEQ-UHFFFAOYSA-N 309.381 3.161 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)NCC(C)(C)C2=CCCC2)no1 333906313 VDFVJAQRKMPPBZ-CQSZACIVSA-N 318.421 3.361 0 40 DGAB Brc1cnn(Cc2cc(-c3ccccc3)on2)c1 49066081 MITWMBMMUCAVGW-UHFFFAOYSA-N 304.147 3.349 0 40 DGAB CC(C)N1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 96241622 WILQNFOZKIDJJP-UHFFFAOYSA-N 310.441 3.104 0 40 DGAB Cc1c(NC(=O)N[C@@H](C)CCO)cccc1OC1CCCC1 96415927 QMHWRDAKOADIOR-LBPRGKRZSA-N 306.406 3.209 0 40 DGAB CNC(=O)c1cc(Cl)c(OCc2ccccc2)c(OC)c1 96604116 RPNGNLIWGJIXBL-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CCC(CC)c1cc(CNC(=O)c2cnn(C(C)(C)C)c2)on1 96426606 HZOLZIOEXODYHD-UHFFFAOYSA-N 318.421 3.460 0 40 DGAB COc1ccc([C@H]2CC(=O)Oc3ccc4nsnc4c32)cc1 96231425 FCKNPQWWMMTGTC-LLVKDONJSA-N 312.350 3.141 0 40 DGAB COC[C@H]1CC2(CCN(Cc3cccs3)CC2)CN1C(C)C 96051744 CSQOFXRGDJFVKP-MRXNPFEDSA-N 322.518 3.459 0 40 DGAB CO[C@@H]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)c2ccccc2)C1 252481966 CWBPHLOSHVHIKZ-HZPDHXFCSA-N 317.429 3.359 0 40 DGAB C[C@@]12CCN(C(=O)c3ccc4ccccc4n3)[C@@H]1CC[C@@H](O)C2 257220907 DMSSKUXNAYRIGO-BJZITVGISA-N 310.397 3.000 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)COc2ccccc2Cl)n1 257313968 UUWJXJFKFHZNKK-CYBMUJFWSA-N 319.792 3.114 0 40 DGAB Cc1c(CN2C[C@H]3C[C@H](Oc4ccccc4)C[C@H]3C2)cnn1C 257330119 XMXUXSLGMHCXGH-MNZLEMJZSA-N 311.429 3.018 0 40 DGAB O=C(NCc1ccccn1)c1cccc(Oc2ccccn2)c1 96122649 JCZSCDQLVBAUMZ-UHFFFAOYSA-N 305.337 3.199 0 40 DGAB Cc1ccc(OCC2CCN(c3ccncc3Cl)CC2)nn1 1775985844 BQXOBGYLJREDTJ-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB COCCNc1ccc(CNc2ncnc3sccc23)cc1 58166276 ZRGQYMYKIYQIAP-UHFFFAOYSA-N 314.414 3.362 0 40 DGAB O=C(O)c1cnc(/C=C/c2nccn2Cc2ccccc2)s1 75138845 MEDDDRJUVYDLKJ-VOTSOKGWSA-N 311.366 3.257 0 40 DGAB Cc1cccc(NC(=O)CSc2nc3ncccc3[nH]2)c1C 5124059 QSNOEXCMSQGAIE-UHFFFAOYSA-N 312.398 3.306 0 40 DGAB CCc1nnc(SCc2ccc(Cl)cc2Cl)n1N 5413121 HNDQVGDISYRCKD-UHFFFAOYSA-N 303.218 3.153 0 40 DGAB Cc1ccc(OCCNC(=O)COc2cccc(C)c2C)cc1 5814545 GBLHKZOSQGYFPB-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)[C@H]2CCCC[C@H]2C(=O)O)C1 13811362 FZSCVNIWMJTNQQ-KYZVSKTDSA-N 307.434 3.305 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2)c(C)c1 14219400 LWHIESOMQAJZPQ-HNNXBMFYSA-N 303.427 3.484 0 40 DGAB COc1ccc(Nc2c3c(nc4ncnn24)CCC3)cc1Cl 15786681 CIPXYCOGLISHSZ-UHFFFAOYSA-N 315.764 3.019 0 40 DGAB Cc1cc(NC(=S)NC(C)C)ccc1NC(=S)NC(C)C 16282719 RFZAKXSWORMBCA-UHFFFAOYSA-N 324.519 3.385 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 208531914 XTSAAJVTMVDWSH-RILYUOAZSA-N 307.371 3.236 0 40 DGAB CCOc1ccc(NC(=O)COc2cc(C)cc(C)c2)c(N)c1 226358924 GTMWTPLTQJBRLY-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB Cc1ncc(CN(C)[C@H](C)c2nc3ccc(Cl)cc3[nH]2)[nH]1 585117179 SZYVUCMLDCJKBJ-SECBINFHSA-N 303.797 3.441 0 40 DGAB CC(=O)c1cccc(OCC(=O)N2c3ccccc3C[C@@H]2C)c1 5407706 HNUZYPKOKBCQGG-ZDUSSCGKSA-N 309.365 3.246 0 40 DGAB Cc1noc(C)c1CN1CCC(Cc2nc(C3CC3)no2)CC1 1889092473 PIXRPFMWBVSHFT-UHFFFAOYSA-N 316.405 3.007 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)CSCCC(=O)O)CC1 15565474 OOKOZHFSCAZFIJ-UHFFFAOYSA-N 315.479 3.306 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2ccsc2c1=O 21841584 AMSZLQOICRSEOD-UHFFFAOYSA-N 323.377 3.131 0 40 DGAB Cc1cc(CNC(=O)C2(c3ccccc3F)CCCC2)on1 50353876 JWZFQTGZTZKLBB-UHFFFAOYSA-N 302.349 3.250 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(c2nccc3sccc23)C1 2298183992 FOTCLNGCHMLLQN-LBPRGKRZSA-N 317.458 3.427 0 40 DGAB CCCc1nc(Cn2nc(-c3ccc(F)cc3)oc2=O)cs1 40063074 UKOMVGMGRORRJA-UHFFFAOYSA-N 319.361 3.100 0 40 DGAB CC(C)(C)SCC(=O)N1CCN(c2ccccc2F)CC1 40160311 GKVPAQIKOTZLPL-UHFFFAOYSA-N 310.438 3.006 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)Cc1ccccc1Cl 40107878 UXJJIPDEVNLBSZ-VIFPVBQESA-N 309.822 3.115 0 40 DGAB COC(=O)c1ccc(CN(C)C(=O)c2cc3ccccc3[nH]2)cc1 30515772 ZSOYOVDEVQJTMD-UHFFFAOYSA-N 322.364 3.227 0 40 DGAB C[C@H](NC(=O)C1(C(=O)O)CC1)c1ccc(Cl)cc1Cl 50290299 BYZWZXZGSOSVKJ-ZETCQYMHSA-N 302.157 3.035 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2nccs2)cc1OC 119877 VOMQFSDYYXPTQV-FNORWQNLSA-N 304.371 3.202 0 40 DGAB biogenic CCOc1ccc([C@H](C)NC(=O)c2scnc2C)cc1OC 40529193 VJJWKQPFMGVOTL-JTQLQIEISA-N 320.414 3.350 0 40 DGAB O=C(O)[C@@H](c1c[nH]c2cc(Br)ccc12)N1CCCC1 32071482 KSKOJXQBEWSKIW-CYBMUJFWSA-N 323.190 3.152 0 40 DGAB CC(=O)Oc1cc2occ(-c3csc(C)n3)c(=O)c2cc1C 408886 LBHKPBPTMPBTEU-UHFFFAOYSA-N 315.350 3.459 0 40 DGAB biogenic Clc1ccc2nc(N3CCNCC3)nc(-c3ccccc3)c2c1 275717 UQUXFXRMNTUFQA-UHFFFAOYSA-N 324.815 3.360 0 40 DGAB COc1cccc(CSc2nnc(C3CCCCC3)n2N)c1 531559 DHDPRNYPCASUII-UHFFFAOYSA-N 318.446 3.341 0 40 DGAB CCNC(=S)N1CCC(C(=O)c2ccc(Cl)cc2)CC1 1336746 MMQMARHQNOCHNN-UHFFFAOYSA-N 310.850 3.129 0 40 DGAB CCN(CC)CC[C@]12C[C@H](C)OC1=Nc1ccccc1NC2=O 1609118 PYBOAHCWXQSJAD-SCLBCKFNSA-N 315.417 3.196 0 40 DGAB CC(=O)N(C)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 1752604 UKIDTTMCTZDNRJ-UHFFFAOYSA-N 301.321 3.452 0 40 DGAB CCc1nc(C)c([C@H](C)N(C)S(=O)(=O)CCC(C)C)s1 78903988 NSVAXPKTXKADKJ-LBPRGKRZSA-N 318.508 3.383 0 40 DGAB CCOC(=O)c1c(N)n([C@@H](C)CC)c2nc3ccccc3nc12 3212972 ITGZCMUXAAXTLI-JTQLQIEISA-N 312.373 3.314 0 40 DGAB O=C(Oc1cccc2cccnc12)c1cc(=O)[nH]c2ccccc12 4952717 WGCZGSLLONZCEX-UHFFFAOYSA-N 316.316 3.296 0 40 DGAB O=C(Cn1cnc2ccccc2c1=O)c1ccc2c(c1)CCCC2 7268856 UFZGZLWUVSYGRX-UHFFFAOYSA-N 318.376 3.158 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(Cl)c(Cl)c1 7402115 FJTUVWZJHTYQFK-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccccc2F)n1CC 7610295 YSHVAJKNPOCYNV-UHFFFAOYSA-N 322.409 3.120 0 40 DGAB O=C(O[C@@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 8291712 JDWXDWPZVIERFD-MRXNPFEDSA-N 301.386 3.130 0 40 DGAB O=C(Nc1nc[nH]n1)c1ccc(-c2ccc(Cl)cc2)s1 23142897 HWXBERRJTMKNFB-UHFFFAOYSA-N 304.762 3.439 0 40 DGAB CC[C@H](NC(=O)c1ccc(C(=O)O)cc1)c1ncc(C)s1 96479820 GOKTZAFKXZIKNI-LBPRGKRZSA-N 304.371 3.031 0 40 DGAB C[C@]1(C(=O)NCc2nc3ccccc3s2)CC1(Cl)Cl 23424956 AGQWABNYEARYIS-GFCCVEGCSA-N 315.225 3.496 0 40 DGAB COc1ccc(-n2nc3ccc(NC(=O)C(C)C)cc3n2)cc1 20610024 HUPGHOZCESBBIF-UHFFFAOYSA-N 310.357 3.024 0 40 DGAB Cc1cc2ncn(CN3CCN(c4ccccc4)CC3)c2cc1C 12526732 ROIIEGLUHJINKL-UHFFFAOYSA-N 320.440 3.433 0 40 DGAB C[C@@H](Sc1ncnc2ccsc12)C(=O)NCc1ccco1 9478062 BPEHFYSHYGAYJY-SECBINFHSA-N 319.411 3.081 0 40 DGAB CCCCC(=O)Nc1nnc(-c2ccc(OC)cc2OC)s1 3227471 PZLZACJAFFXVGT-UHFFFAOYSA-N 321.402 3.351 0 40 DGAB O=C(NCCc1cccs1)Nc1ccc(N2CCCC2)nc1 48085928 DVBMLPXELXKKMO-UHFFFAOYSA-N 316.430 3.108 0 40 DGAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1C[C@H](C)O[C@@H](C)C1 10091697 DMXIIWGIZUTZPO-QWRGUYRKSA-N 318.804 3.446 0 40 DGAB COC(=O)c1ccc(Nc2ccc(OC3CCCC3)cc2)nn1 48236100 CQHWYZAKKDPVAK-UHFFFAOYSA-N 313.357 3.328 0 40 DGAB O=C(Cc1csc(-c2ccco2)n1)Nc1n[nH]c2ccccc12 58172478 SZJAPFOALWFHJV-UHFFFAOYSA-N 324.365 3.461 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)c1ccc(C)cc1 3388285 KPQKFXWXESQMGN-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@H]3CCCO3)s2)o1 27902879 PTQKRUWEHRSHLZ-ZYHUDNBSSA-N 320.414 3.317 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2ccccc2Br)on1 36623515 DFKGCWPEAYTEQG-VIFPVBQESA-N 309.163 3.237 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccoc2)c(OC)c1 11584492 RITHTTAUBSQMMP-OAHLLOKOSA-N 301.342 3.274 0 40 DGAB C[C@H](NC(=O)NC(C1CC1)C1CC1)c1ccc(-n2ccnc2)cc1 29329195 VXKCZSORDFZLRY-ZDUSSCGKSA-N 324.428 3.421 0 40 DGAB Cc1cccc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)c1C 8735374 BVSFKMCZBJJUBR-UHFFFAOYSA-N 318.446 3.450 0 40 DGAB COc1cccc(NC(=O)COC(=O)c2ccccc2Cl)c1 3507292 IMPRLIIDRXHULS-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB O=C(COC(=O)c1cc2c(s1)CCCCC2)NC1CCCC1 3547852 MCKIQRWZFOXRLK-UHFFFAOYSA-N 321.442 3.233 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)N(C)CCOc1ccccc1F 12937878 VBPUWZNSIADMKU-AWEZNQCLSA-N 316.376 3.164 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)CCC(C)C)c2c(C)nn(C)c2n1 12907563 SLUNASVJCCYGGR-NSHDSACASA-N 302.422 3.140 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2cccs2)c1 8705795 BXSXYAKUKYIDPD-CMDGGOBGSA-N 300.383 3.150 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@@H]1CCC2=O 4063366 XRCFMDPVHKVRDJ-MQOOWTBDSA-N 300.398 3.266 0 40 DGAB endogenous,in-man Sc1nnc(-c2cnn(-c3ccccc3)c2-n2cccc2)o1 4050373 FWGGAJFGXLXNBV-UHFFFAOYSA-N 309.354 3.002 0 40 DGAB CN(Cc1cncs1)C1CCN(c2ccc(F)cc2)CC1 92762724 DKIWPNKNJMSNPI-UHFFFAOYSA-N 305.422 3.383 0 40 DGAB CN(C(=O)COC(=O)c1cc2c(s1)CCC2)c1ccccc1 5308599 YFCJMTAZMIRDCV-UHFFFAOYSA-N 315.394 3.057 0 40 DGAB CCCn1c(O)c(C(=O)Nc2ccccc2)c(=O)c2ccccc21 6511039 AZPNWBJCYPGLTC-UHFFFAOYSA-N 322.364 3.369 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cn2cc(Cl)ccc2n1 66089359 JILOWCZRWOTTLM-UHFFFAOYSA-N 303.724 3.057 0 40 DGAB CCn1nc(C)cc1-c1nn2c(-c3ccc(C)cc3)nnc2s1 4667680 NWBGQYQQSFSSMO-UHFFFAOYSA-N 324.413 3.353 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2)cc1C 5516157 FPXRYKBOFUZOCN-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1 6625962 MYFASPIONRKUKA-MRXNPFEDSA-N 318.323 3.171 0 40 DGAB Cn1ccnc1COC(=O)c1ccc(OCc2ccccc2)cc1 6650770 ATHJIUKLSSUXAY-UHFFFAOYSA-N 322.364 3.356 0 40 DGAB CNc1snc(C)c1C(=O)N(C)C[C@@H](C)c1ccccc1 66715264 JRXIKIYDBAWOQR-LLVKDONJSA-N 303.431 3.369 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCCC2)c(C)o1 7736742 AFIVLTJLEZJYMY-INIZCTEOSA-N 316.401 3.446 0 40 DGAB Cc1nccn1Cc1ccc(NC(=O)CCc2cccnc2)cc1 71889169 SWKOITBYYJSQRM-UHFFFAOYSA-N 320.396 3.206 0 40 DGAB c1coc(-c2cc(CSc3nnnn3C3CCCC3)no2)c1 8391671 ZKVDWNJOCADPSQ-UHFFFAOYSA-N 317.374 3.329 0 40 DGAB CCCC(=O)N1CCC[C@@H]1C(=O)NCC[C@H](C)c1ccccc1 69414355 WFFCNRVIHMKZLA-DOTOQJQBSA-N 316.445 3.088 0 40 DGAB Cc1nc(/C=C2/N=C(c3ccc(Cl)cc3)OC2=O)cs1 96635056 IGGZGEIXOFFMOR-WUXMJOGZSA-N 304.758 3.449 0 40 DGAB COc1cccc(N2CC[C@@H](CNC/C=C/c3ccco3)C2)c1 83973544 QOUAMSQWIWLASA-SEJWUHKESA-N 312.413 3.418 0 40 DGAB CC(=O)Nc1nc(C(=O)O[C@H]2C[C@H]3C[C@@H]([C@@H]2C)C3(C)C)cs1 95373441 MVFKEGXAVNJOKO-UKKREREHSA-N 322.430 3.329 0 40 DGAB CC[C@@H](C)[C@H]1CCCCN1C(=O)CCn1c(C)csc1=O 84721670 QZDYCNJHTMDJNN-TZMCWYRMSA-N 310.463 3.036 0 40 DGAB Cc1ccsc1[C@H](C)NCCCNC(=O)c1cccc(O)c1 95421573 GWTFYXNVPIRLFS-ZDUSSCGKSA-N 318.442 3.233 0 40 DGAB CC(=O)Nc1ccc(F)c(NCc2cnc3c(C)cccn23)c1 95448744 PLTNGKGOWKOPGR-UHFFFAOYSA-N 312.348 3.352 0 40 DGAB O=C(CSc1ccccc1O)NCCc1ccc(Cl)cc1 95406438 FNIGJKHKBKUYID-UHFFFAOYSA-N 321.829 3.497 0 40 DGAB COc1cc(C)c([S@](=O)Cc2ncc(C(C)C)o2)cc1OC 95414527 LPLQJMYWEHGEMR-QFIPXVFZSA-N 323.414 3.431 0 40 DGAB Cc1nccn1Cc1ccc(N[C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 95980661 LUPJVCDTCUGHGJ-RDTXWAMCSA-N 310.445 3.277 0 40 DGAB OCc1cccc(CNCc2csc(Br)c2)c1 95948567 WLABNPGVLIYUIT-UHFFFAOYSA-N 312.232 3.293 0 40 DGAB CCc1nc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)cs1 95961620 PCGVEOJSUBTHCG-GFCCVEGCSA-N 318.446 3.346 0 40 DGAB C[C@H](NC1CCN([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 95969363 YEMUAHPLJOHXTK-GJYPPUQNSA-N 308.510 3.434 0 40 DGAB COc1cc(C(C)=O)ccc1OC(=O)[C@H]1C[C@H]1c1ccco1 89292130 LSYAZTFGZMIJGI-OLZOCXBDSA-N 300.310 3.200 0 40 DGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1C 408606549 MIBHWRWGPFUCRE-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB COc1ccc(Cc2noc3nc4c(c(C(=O)O)c23)CCC4)cc1 62710703 TXVOSGNIJGWRGL-UHFFFAOYSA-N 324.336 3.009 0 40 DGAB Cc1cnc(CN2C[C@@H](c3ccccc3Cl)OC[C@H]2C)cn1 110585214 JYWWBKBDEZGRSY-DYVFJYSZSA-N 317.820 3.400 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N2CCOc3ccccc32)c(C)c1 30581824 YHRHRPWPWIPQDT-UHFFFAOYSA-N 317.410 3.200 0 40 DGAB Cc1ccccc1O[C@H](C)C(=O)NCCN(C)c1ccccc1 219288099 UKMBUZYXPHVWQI-MRXNPFEDSA-N 312.413 3.015 0 40 DGAB Cc1cc(CCC(=O)Nc2cccnc2)cc([C@@H]2CCCN2C)n1 72360557 LQHZODQUILMVMM-SFHVURJKSA-N 324.428 3.123 0 40 DGAB O=C1CC(c2cccs2)CC(=O)N1Cc1cc(F)ccc1F 75172454 URQHTKUALMGLSP-UHFFFAOYSA-N 321.348 3.459 0 40 DGAB Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCCO[C@@H]1C(C)C 188954239 WGHMRWZVKFVCJJ-GOEBONIOSA-N 322.449 3.363 0 40 DGAB CN1CCC[C@H](c2ccnc(C(=O)N(C)C3CCCCC3)c2)C1 72387121 POJXOKGUCXFOIB-INIZCTEOSA-N 315.461 3.296 0 40 DGAB Cc1noc([C@H]2CCCCN2C(=O)c2cccc3[nH]ccc23)n1 72329848 KZGNGVXSZISOAS-OAHLLOKOSA-N 310.357 3.227 0 40 DGAB O=C(c1cncs1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72368377 BBVDOZYPFDQVSL-LLVKDONJSA-N 312.398 3.039 0 40 DGAB CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@@H]2C=CCCC2)co1 188400857 IVPQZDHMAMRZMO-CYBMUJFWSA-N 320.389 3.143 0 40 DGAB CCN1CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1 44595879 RYRZCVYEMSEHOP-UHFFFAOYSA-N 315.244 3.090 0 40 DGAB O=C(c1cncc(-c2ccc3c(c2)CCO3)c1)N1CCCCCO1 329977793 GKLIDFRFMZSOTO-UHFFFAOYSA-N 324.380 3.241 0 40 DGAB C[C@@H](CNC(=O)c1cccnc1S)Sc1ccccc1 81111065 XFJFYGYFACDCLV-NSHDSACASA-N 304.440 3.281 0 40 DGAB CCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CCC 225451985 BKZYQKNPCUBGSO-QGZVFWFLSA-N 318.461 3.163 0 40 DGAB Clc1ccc2nc(CN3CC[C@@H](c4cccnc4)C3)cn2c1 581546298 FUEVJEWWNQMBGN-CQSZACIVSA-N 312.804 3.372 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1ccccc1 195578188 YMGOETLNDBSKLR-UAGQMJEPSA-N 304.434 3.234 0 40 DGAB COC1CCC(NCc2cccc(CN3CCCC3)c2)CC1 195560512 ZGANIDXDVBDSIT-UHFFFAOYSA-N 302.462 3.330 0 40 DGAB c1cnc(N2CCC[C@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047147 ISJDMJSFPDIIIW-QGZVFWFLSA-N 314.458 3.031 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(Oc3cccc(F)c3)o2)C[C@H](C)O1 96183945 IPZWMMWCCJZHGX-RYUDHWBXSA-N 319.332 3.460 0 40 DGAB CCc1ncc(CNC(=O)N2CC[C@H](C(F)(F)F)C2(C)C)o1 334102437 WVXTWCGWIBWOHF-JTQLQIEISA-N 319.327 3.109 0 40 DGAB CCc1nc(C)c([C@H](C)N(C)C(=O)N[C@@H](C)CSC)s1 96440472 GWQKTIWJSMLXDO-ONGXEEELSA-N 315.508 3.468 0 40 DGAB O=C(CC1CCOCC1)N1CCN(CC2CC2)c2ccccc21 96443956 OJUBGVYLXGELFQ-UHFFFAOYSA-N 314.429 3.066 0 40 DGAB Cc1noc([C@@H](C)NC(=O)Nc2ccc(Cl)cc2)c1C(=O)O 96297090 SIZORQCNMLOLKX-MRVPVSSYSA-N 323.736 3.217 0 40 DGAB biogenic,in-vitro COc1ccc(C(=O)N[C@@H](c2nc(C)cs2)C2CC2)cc1 96425466 QGCSRBZMAWGKFY-CQSZACIVSA-N 302.399 3.341 0 40 DGAB C[C@H](NC[C@@H](O)c1ccc(F)cc1)[C@H]1COc2ccccc21 248564278 DNPANLOIBCNKEY-JCURWCKSSA-N 301.361 3.013 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCCC1)c1coc(CO)c1 585140641 IJCIIKBNYQPKFY-UHFFFAOYSA-N 317.360 3.153 0 40 DGAB C[C@H](NC1CCN([C@H]2CCCC[C@H]2O)CC1)c1cccs1 252485884 BKAVWVJASLENQG-CWRNSKLLSA-N 308.491 3.167 0 40 DGAB c1ncn(-c2ccc(NCCCCC3CCOCC3)cc2)n1 252482524 DIFHRTXVTOXPFR-UHFFFAOYSA-N 300.406 3.276 0 40 DGAB Cn1cccc1[C@@H]1CCCN1Cc1nc(-c2cccs2)no1 25066319 GOIVYFBNMGPTOZ-ZDUSSCGKSA-N 314.414 3.474 0 40 DGAB CO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccsc1 96120625 WJKSHCNPXGPBSO-CYBMUJFWSA-N 318.423 3.475 0 40 DGAB c1coc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)c1 585105191 PUSPZYFPGUQSSX-QGZVFWFLSA-N 319.445 3.467 0 40 DGAB CC(=O)Nc1nc([C@H]2CCCCN2Cc2ccccn2)cs1 585268764 FWNVKBJKKWGTBU-OAHLLOKOSA-N 316.430 3.224 0 40 DGAB CC[C@@H](CSC)N(C)C(=O)Nc1cc(C2CCC2)nn1C 91181042 RHTAMPUKBICZAC-LBPRGKRZSA-N 310.467 3.293 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 222390347 KDADEENOYSUPPW-UOVPBQLFSA-N 305.377 3.479 0 40 DGAB Cc1cnc(OC2CCN(Cc3cc(F)ccc3F)CC2)nc1 653800274 LEISSFTUWBCQLL-UHFFFAOYSA-N 319.355 3.107 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccccn2)c1 5622219 JVQDYPHOTHQSPO-GFCCVEGCSA-N 300.383 3.404 0 40 DGAB COc1ccc(C2(NC(=O)c3cncnc3)CCCCC2)cc1 12155686 JWBIQKSACNDHFC-UHFFFAOYSA-N 311.385 3.075 0 40 DGAB Cc1cccc(CC(=O)NCCc2ccc(N3CCCC3)cc2)c1 16847232 HFSSKUCFKMRCFE-UHFFFAOYSA-N 322.452 3.497 0 40 DGAB COc1cc(Cl)cc(CN2C[C@H]3CCCN3C[C@@H]2C)c1OC 19575726 SXWZNVJUBWKOFT-SWLSCSKDSA-N 324.852 3.026 0 40 DGAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccccc1F 4304858 NCVMUOPHFHMANZ-UHFFFAOYSA-N 318.373 3.017 0 40 DGAB Cc1ccc(N2CCN(Cc3cccc4ccccc34)CC2)nn1 605432922 MDSAGJJKWZIRIL-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc4ccccn34)C2)cc1 13686977 WOVPHPILAJGVLA-MRXNPFEDSA-N 320.396 3.058 0 40 DGAB CCCCCNC(=O)C1(S(=O)(=O)c2ccccc2)CCCC1 40032218 WNFMPIRVEPDCCR-UHFFFAOYSA-N 323.458 3.080 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)N2CCO[C@@H](C)C2)c1C 40024470 HBWYUPGBYLNKSY-NSHDSACASA-N 304.415 3.017 0 40 DGAB CCCc1noc(CCC(=O)NC23CC4CC(CC(C4)C2)C3)n1 40489883 RSXOGMFTOXPNKV-UHFFFAOYSA-N 317.433 3.040 0 40 DGAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@H](C)Cc1ccco1 40510236 CSGIXKODJPDTMP-LLVKDONJSA-N 323.824 3.455 0 40 DGAB COc1c(C)cnc(CNC(=O)Nc2cc(F)ccc2F)c1C 51583423 CTIVDZUXKDCLRK-UHFFFAOYSA-N 321.327 3.307 0 40 DGAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C(C)C)cc2)C1 129521 SYHHETDFFUCRJZ-DZGCQCFKSA-N 302.418 3.078 0 40 DGAB O=C(O)[C@@H](Sc1nncc(-c2ccccc2)n1)c1ccccc1 155559 STPBZRCNPMZHKD-HNNXBMFYSA-N 323.377 3.457 0 40 DGAB Cc1ccc2cccc(OCC(=O)NCCc3ccccc3)c2n1 382023 ABBDSGMUYUFEIZ-UHFFFAOYSA-N 320.392 3.281 0 40 DGAB CCc1ccc(NS(=O)(=O)c2cc(F)ccc2OC)cc1 619504 MDRPEXCOZDVCDS-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB CCOc1ccc(-c2cn3nc(N4CCCC4)sc3n2)cc1 1414359 LVOFJPSVKMZTFO-UHFFFAOYSA-N 314.414 3.457 0 40 DGAB CN(C(=O)COC(=O)Cc1ccc(Cl)cc1)C1CCCCC1 3238483 ODFRBLFCYZKVPG-UHFFFAOYSA-N 323.820 3.217 0 40 DGAB O=C(COC(=O)c1ccccc1)N[C@@H]1CCCc2ccccc21 3246759 XWGWNAJOJXTJQV-QGZVFWFLSA-N 309.365 3.037 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1C 3295869 ZVCBZSCNHKVNIW-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CC(C)Oc1ccc(C(=O)OCC(=O)Nc2ccccc2)cc1 3486148 JJLOQTJFPSBYCC-UHFFFAOYSA-N 313.353 3.269 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NC2CCCC2)cc1C 3518587 USNSBXYMQXBSRQ-UHFFFAOYSA-N 306.431 3.164 0 40 DGAB CC(C)OC(=O)[C@@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4056206 SBFCXYBUWCLEFC-LLVKDONJSA-N 316.353 3.001 0 40 DGAB Cc1ccccc1C(=O)Nc1cc2c3c(c1)CCC(=O)N3CCC2 5154017 FSPLDLSUOXUVIA-UHFFFAOYSA-N 320.392 3.473 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CCNC(=O)c1ccccc1Cl 6436425 QUCKVVHRXSAMMN-WFASDCNBSA-N 322.836 3.155 0 40 DGAB Nc1ncc(Br)nc1N1CCC[C@@H]1c1ccccc1 6745297 LIWNTOVGDIQDSL-LLVKDONJSA-N 319.206 3.163 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NCc1ccccc1Cl 8041163 NHFDSFFLUZGQDQ-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB O=C(CSc1ncnc2ccccc12)c1ccc2c(c1)OCO2 8188999 MTSDHNKNMQYXKH-UHFFFAOYSA-N 324.361 3.334 0 40 DGAB NC(=O)c1ccccc1OCc1ncc(-c2ccc(F)cc2)o1 8221238 ZMJAXIFXFIJBHY-UHFFFAOYSA-N 312.300 3.159 0 40 DGAB COc1ccc(-c2nc(CC(=O)NC3CCCC3)cs2)cc1 8388991 KGSHJTGSHQGYHA-UHFFFAOYSA-N 316.426 3.420 0 40 DGAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2[nH]nnc2c1 8389282 NQLRZSNXTMRLQM-UHFFFAOYSA-N 318.739 3.023 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)N2CCc3ccccc32)cc1 8853113 RWHHFEGIFGKJNJ-UHFFFAOYSA-N 303.365 3.384 0 40 DGAB Cc1cc(C)c2c3c(sc2n1)C(=O)N[C@H](c1cccnc1)N3 9114342 OKVHPPALOOWDCK-CQSZACIVSA-N 310.382 3.162 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1 9154398 JNEOSQOKZURBHX-AWEZNQCLSA-N 310.397 3.396 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)Nc1ccc(OC)cc1 11636843 LIHLTQZIHUSWHU-KRWDZBQOSA-N 315.369 3.500 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2nnc(-c3ccno3)o2)cc1 12234490 QFTQJRIKRRFJNO-UHFFFAOYSA-N 312.329 3.274 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)NCc3ccccc3)c12 12755552 HUCAVKLOIWZHHQ-UHFFFAOYSA-N 307.353 3.339 0 40 DGAB C/C=C/c1ccc(OCC(=O)NC(C2CC2)C2CC2)c(OC)c1 12913806 UDJSZZKFCGMXHJ-ONEGZZNKSA-N 315.413 3.412 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)cn1 13022507 MNSTWUDHFQIFMP-NSHDSACASA-N 306.312 3.482 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](c2ccc(F)cc2)Nc2nc(N)nn21 13132187 NIDOIRMPUZLJEG-HOTGVXAUSA-N 323.375 3.454 0 40 DGAB aggregator COc1ccc2cc(CN(CCO)Cc3cccnc3)ccc2c1 13569632 VLWCBOOJHCAKTK-UHFFFAOYSA-N 322.408 3.238 0 40 DGAB COc1ccc(NC(=O)Cc2noc3ccccc23)cc1OC 14164071 GLGNJSRFIZTJNO-UHFFFAOYSA-N 312.325 3.026 0 40 DGAB CC(=O)c1cc(Cl)ccc1OCc1ccc(C(N)=O)cc1 16803446 GGDVWOFBUGDXAS-UHFFFAOYSA-N 303.745 3.221 0 40 DGAB Cc1ccc(C(=O)N2CCCN(C)c3nc4ccccc4nc32)o1 17364437 LATSQDFLVYVCML-UHFFFAOYSA-N 322.368 3.018 0 40 DGAB CC[C@@H]1Oc2cc(N)ccc2N(Cc2ccccc2F)C1=O 19953811 BLETWYZZYAYJJA-HNNXBMFYSA-N 300.333 3.112 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)C[C@@H]2C=CCC2)cc1 20008857 CMAMYEDRIFISMS-CQSZACIVSA-N 300.402 3.463 0 40 DGAB Cc1ccc(S(=O)(=O)NCC2(c3cccs3)CC2)cc1 22686480 PYCHZRDQWQDJON-UHFFFAOYSA-N 307.440 3.067 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccn(C2CCCC2)n1 28222988 PFXJXTQUSWTEGT-UHFFFAOYSA-N 313.357 3.022 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1 28224028 XYQUBGZCQDFHOX-JTQLQIEISA-N 308.179 3.154 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1 28224334 RVJBOPNCTKGXTB-SNVBAGLBSA-N 322.206 3.408 0 40 DGAB CC(=O)c1cccc(N[C@@H](C)C(=O)NCc2ccc(C)cc2)c1 28837412 GANIORILMWZEES-AWEZNQCLSA-N 310.397 3.314 0 40 DGAB Cc1cc(N(C)Cc2ccc(C(C)(C)C)cc2)n2ncnc2n1 32533934 WGJXZUHGLMVEBP-UHFFFAOYSA-N 309.417 3.367 0 40 DGAB Cc1cc(NS(=O)(=O)c2ccc(F)cc2)n(C2CCCC2)n1 32611424 IWPOHZUCNXMECY-UHFFFAOYSA-N 323.393 3.247 0 40 DGAB CCCCN1C(=O)N[C@@H](c2cccs2)C(C(=O)OC)=C1C 32812521 LQWXJZINFOUVNH-ZDUSSCGKSA-N 308.403 3.062 0 40 DGAB CCN1CCC[C@@H](OC(=O)c2cccc(Br)c2)C1 32962584 HPSATHBPXLFCNB-CYBMUJFWSA-N 312.207 3.090 0 40 DGAB O=C(O)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 34152557 OKFLMULEFDZLKG-SJLPKXTDSA-N 309.365 3.251 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)[C@@H](N)c1ccccc1 37799993 UJZVKDUSTNAMHL-AWEZNQCLSA-N 308.834 3.450 0 40 DGAB COc1ccccc1-c1noc(-c2c[nH]c3ccccc3c2=O)n1 38487624 BSJALRRZPLNOTR-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB COc1ccc(C(=O)c2ccc(C3OCCO3)s2)c(OC)c1 43210444 NDNQATRLKCMNNE-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB Cc1ccc(CNC(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 43875083 JVOIFCQAFOAADW-UHFFFAOYSA-N 323.396 3.209 0 40 DGAB Cc1ccccc1NC(=O)NCC1CCN(c2ccccn2)CC1 43976410 OVUUIJZIJSWSDS-UHFFFAOYSA-N 324.428 3.428 0 40 DGAB COC(=O)c1ccc(C(=O)N2CC[C@@H]3CCCC[C@@H]3C2)s1 44859960 DQJJQSLOEDVHBD-NWDGAFQWSA-N 307.415 3.187 0 40 DGAB O=C(NCc1ccc(OC2CCCC2)nc1)Nc1ccccn1 45930533 HQGXJHDWTZMPMC-UHFFFAOYSA-N 312.373 3.120 0 40 DGAB COc1ccc(Nc2ccccc2C(=O)Nc2cnn(C)c2)cc1 47090823 HNAZNTQJBSYNIL-UHFFFAOYSA-N 322.368 3.425 0 40 DGAB Cc1cc(C(=O)N[C@H](C)C2CC2)c2c(C)nn(C(C)(C)C)c2n1 48287303 SMFYQLOHNJBFES-LLVKDONJSA-N 314.433 3.331 0 40 DGAB CN(Cc1nc(-c2ccccn2)no1)[C@H]1CCc2ccccc21 48289917 NFZCZCUWEPIPLB-INIZCTEOSA-N 306.369 3.251 0 40 DGAB COCc1cccc(C(=O)NCc2cccc(OC(F)F)c2)c1 50378445 KVLWBDJKMIHHHF-UHFFFAOYSA-N 321.323 3.364 0 40 DGAB O=C(N[C@@H]1COc2ccccc2C1)c1ccccc1C(F)(F)F 53043061 SEEHDIFHOBXOSK-LBPRGKRZSA-N 321.298 3.439 0 40 DGAB O=C(c1csc(-c2ccsc2)n1)N1CCO[C@@H]2CCC[C@H]21 53384363 PPXAWXOZTUEGHO-CHWSQXEVSA-N 320.439 3.265 0 40 DGAB Cn1c([C@H]2CCCCN2C(=O)c2cccnc2)nc2ccccc21 56131833 MAYIPWKZYOEFRE-QGZVFWFLSA-N 320.396 3.336 0 40 DGAB COc1ccc(NC(=S)NCCCOC2CCCC2)cc1 57815465 DTYYWBRQTVWQBT-UHFFFAOYSA-N 308.447 3.331 0 40 DGAB Cn1nccc1C1CCN(Cc2cc(-c3ccccc3)no2)CC1 58305279 VWXFVCBYVGQKCI-UHFFFAOYSA-N 322.412 3.455 0 40 DGAB CC/C=C(\C)C(=O)Nc1ccc(NS(=O)(=O)CCC)cc1 58368210 VGIMAIZAPHHGFU-WUXMJOGZSA-N 310.419 3.133 0 40 DGAB COc1ccc2nc(SCc3[nH]cc(C)c(=O)c3C)[nH]c2c1 65742967 LVUFHVGKGMRSQW-UHFFFAOYSA-N 315.398 3.169 0 40 DGAB in-vitro O=C1C[C@@H](c2ccc(O)cc2)c2c(ncn2-c2ccc(F)cc2)N1 66091406 DMZDEEXMBXTJEK-HNNXBMFYSA-N 323.327 3.191 0 40 DGAB COC(=O)Nc1cc(NC(=O)Cc2ccc(F)cc2)ccc1F 66489562 LHYMDRFSQPFVLP-UHFFFAOYSA-N 320.295 3.324 0 40 DGAB Cc1nc([C@H](NCc2cc(F)ccc2F)c2ccccc2)n[nH]1 69168852 HYFBJZQWRHUKOE-MRXNPFEDSA-N 314.339 3.271 0 40 DGAB Cc1ccccc1CN[C@H](CN1CCN(C)CC1)c1ccccc1 69171379 IRAIJLINFPLDDH-OAQYLSRUSA-N 323.484 3.073 0 40 DGAB CCC(C)(CC)NC(=O)COc1cccc(NC(=O)C2CC2)c1 69743454 HQYJEWUOOVLMQG-UHFFFAOYSA-N 318.417 3.109 0 40 DGAB Cn1cnc2cc(OC(=O)COc3ccc(Cl)cc3)ccc21 70640919 IMXNOOVHPUQQPL-UHFFFAOYSA-N 316.744 3.211 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccccn1)c1ccccc1 71195539 SWYAUZDGYMXLAP-MRXNPFEDSA-N 318.380 3.075 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccoc1 71886302 KLFIBVWEXWKUPK-CYBMUJFWSA-N 305.305 3.229 0 40 DGAB CC(C)(C)CC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 71886701 NTZXSRMYHLPXCG-GFCCVEGCSA-N 303.324 3.291 0 40 DGAB Cc1csc(C2(NC(=O)CCc3ccncc3)CCCC2)n1 71903082 RFRXEXWQEAAAOR-UHFFFAOYSA-N 315.442 3.365 0 40 DGAB O=C(Nc1ccnn1CCc1ccccc1)c1cc(C2CC2)on1 71924364 LBASSFRBJOTUNL-UHFFFAOYSA-N 322.368 3.244 0 40 DGAB Cc1cc(N)ncc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218496 KVCXEWIDGZZAKE-MRXNPFEDSA-N 311.385 3.446 0 40 DGAB c1cnc(Nc2nccc([C@H]3CCCN3C3CCCCC3)n2)cn1 72377355 NXGBRVGXGVGITF-MRXNPFEDSA-N 324.432 3.480 0 40 DGAB Cc1cccc2c(=O)n(Cc3cc(-c4ccccc4)on3)cnc12 72640307 ONJVFXHBKVEPDN-UHFFFAOYSA-N 317.348 3.408 0 40 DGAB Cc1cncc(C(=O)Nc2cccc(Nc3cnn(C)c3)c2)c1 89591505 VKDUJVXXEVKVOH-UHFFFAOYSA-N 307.357 3.119 0 40 DGAB Cn1cc([C@H]2CN(Cc3ccc(-c4ccccc4)o3)CCO2)cn1 93647226 WHWHFMNJFYZKPU-LJQANCHMSA-N 323.396 3.254 0 40 DGAB c1cc(O[C@H]2CCN(Cc3cnc4ccsc4c3)C2)ccn1 93866090 OSYGNRRMCQXXEV-HNNXBMFYSA-N 311.410 3.345 0 40 DGAB CCOC(=O)C1(c2ccccc2)CCN(Cc2ccccn2)CC1 95398995 SPRUMZPEECKPNR-UHFFFAOYSA-N 324.424 3.179 0 40 DGAB C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc(Cl)s1 95968937 ZHRSXMYECVGGOJ-GFCCVEGCSA-N 315.914 3.078 0 40 DGAB COc1ccc([C@H]2C[C@H](C)CN2Cc2ccc(CO)o2)cc1 95982911 CNWGDKSBDHURGX-SCLBCKFNSA-N 301.386 3.364 0 40 DGAB C[C@@H](CNC(=O)N[C@@H]1CCOc2ccccc21)c1nccs1 96013782 UZQFAHGDSUPHJP-WCQYABFASA-N 317.414 3.070 0 40 DGAB CN(C)C(=O)c1ccc(N2CCC3(CCCCC3)CC2)nc1 96405769 TXBPVBSOIFLOKV-UHFFFAOYSA-N 301.434 3.334 0 40 DGAB CC[C@@H](CC(=O)Nc1cnn(-c2ncccn2)c1)c1ccccc1 96414100 QEZNUFQOVPUEDH-AWEZNQCLSA-N 321.384 3.185 0 40 DGAB COc1c(F)cc(NC(=O)N2CC[C@@H](CSC)C2)cc1F 96417981 ZIRRLNKPLVHYGW-SECBINFHSA-N 316.373 3.190 0 40 DGAB CC[C@H]1CN(C(=O)Nc2cc(F)c(OC)c(F)c2)CCS1 96434183 QBXSOVRMIXTMDH-JTQLQIEISA-N 316.373 3.333 0 40 DGAB CC(C)(O)CN(Cc1ccccc1)C(=O)c1ccncc1Cl 96493094 SXFDHIGRAKLGCJ-UHFFFAOYSA-N 318.804 3.148 0 40 DGAB CCn1cc(Oc2ccc(I)cc2)cn1 96528658 MOGMNHZSHXQCGL-UHFFFAOYSA-N 314.126 3.300 0 40 DGAB COc1ccc2oc(=O)c3c(C)nn(-c4ccccc4)c3c2c1 96928585 PUUHURQVIRZJNU-UHFFFAOYSA-N 306.321 3.449 0 40 DGAB C[C@H](C(=O)O)[C@@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 97035724 KHZNYMVVDXESQA-BLLLJJGKSA-N 322.364 3.360 0 40 DGAB COc1ccccc1[C@@H](N[C@@H](C)c1ccccn1)c1noc(C)n1 97037753 GTYFVQRKZWIVAB-YVEFUNNKSA-N 324.384 3.222 0 40 DGAB CCOc1cc2c(cc1CN[C@@H](C)c1cn[nH]c1C)O[C@@H](C)C2 180014033 HDMWDCPXDLVJGG-RYUDHWBXSA-N 315.417 3.291 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)Nc2cnn(C)c2)c(Cl)c1 186173665 PEOCTNATILRPFZ-LLVKDONJSA-N 306.797 3.129 0 40 DGAB O=[S@@](CCc1cccs1)Cc1cccc2c1OCCO2 195579391 DOEDIYLAMRJGCO-FQEVSTJZSA-N 308.424 3.011 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@]2(C1)OC(=O)c1ccccc12 206582772 CVENLJFIURFDBY-KRWDZBQOSA-N 303.358 3.083 0 40 DGAB Cc1cccc(OCC(=O)NCCSCc2ccco2)c1 222752481 NESURNVCUNGWBV-UHFFFAOYSA-N 305.399 3.016 0 40 DGAB Cc1ccc(CCNC(=O)c2cc(-c3ccc(F)cc3)on2)o1 223240577 REEXJAAJJBHLCU-UHFFFAOYSA-N 314.316 3.355 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c1 225068960 CUPRPFMYABBWQG-UHFFFAOYSA-N 312.394 3.469 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1ccc(C)cn1 225551787 CYFQNSNJWSZVQW-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB O=C(N[C@H]1CCN2CCC[C@H]2C1)N(CC1CC1)C1CCCCC1 252487546 YWXCIYZOWCZURQ-WMZOPIPTSA-N 319.493 3.368 0 40 DGAB Cn1cncc1-c1cccc(C2CCN(c3ccccn3)CC2)n1 257305359 SPPZSHPGRFFKLO-UHFFFAOYSA-N 319.412 3.261 0 40 DGAB CCCCn1cc(CN2CC[C@@H](c3[nH]ncc3C)C2)c(C)n1 257337654 YTTWLHQGOBQBFL-OAHLLOKOSA-N 301.438 3.013 0 40 DGAB O=C(c1cnnc2ccccc12)N(CC1CCC1)CC(F)(F)F 528793364 LKAHQBDPNIMWET-UHFFFAOYSA-N 323.318 3.434 0 40 DGAB Cn1nc(C(F)(F)F)cc1C(=O)NC(C)(C)c1ccccc1 584760609 TUQJJOBILVSFGQ-UHFFFAOYSA-N 311.307 3.104 0 40 DGAB c1ccc(CO[C@H]2CSC3(C2)CN(CC2CCCC2)C3)nc1 585103228 AFGFAMASCRLJCS-QGZVFWFLSA-N 318.486 3.348 0 40 DGAB Cc1ncc(CN(C)[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)[nH]1 585117180 SZYVUCMLDCJKBJ-VIFPVBQESA-N 303.797 3.441 0 40 DGAB Cc1ccccc1NC(=O)N[C@@H]1CCN(Cc2ccsc2)C1 585150079 YMXXAYHJYDMZGQ-OAHLLOKOSA-N 315.442 3.453 0 40 DGAB COCCC(=O)N1CCCCCCCc2ccccc2OCC1 643585008 XHDPBSGZZXYGFZ-UHFFFAOYSA-N 319.445 3.437 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(Cc2cccnc2)CC1 1204069040 KYBFOYOSKOKRSA-UHFFFAOYSA-N 302.805 3.219 0 40 DGAB Cn1ncc2c1C[C@@H]([C@@H]1CCCCN1C(=O)OC(C)(C)C)CC2 1889125177 CLONOXNUXXPRHP-ZFWWWQNUSA-N 319.449 3.315 0 40 DGAB Cc1cc(-c2cc([C@H]3CCCN3C(=O)C(C)(C)C)ccn2)n[nH]1 2037670898 WQMSVWOBNYROSM-MRXNPFEDSA-N 312.417 3.490 0 40 DGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)c1cnccn1 418322 FIRSLXCNTUQROW-UHFFFAOYSA-N 301.655 3.401 0 40 DGAB CCc1ccc(OCC(=O)Nc2cc(OC)ccc2OC)cc1 486830 IUUSRENFIFWZSP-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB Fc1ccccc1-c1nnc2n1N=C(c1ccccc1)CS2 531040 YEUCOCWVAHDJGK-UHFFFAOYSA-N 310.357 3.442 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c1 533982 QOMAFWDGZKDQFS-LJQANCHMSA-N 309.365 3.414 0 40 DGAB O=C(COc1ccc(Cl)cc1)OCCOc1ccccc1F 3246475 PRLRNBWIUDOHBD-UHFFFAOYSA-N 324.735 3.480 0 40 DGAB CCc1ccc(NC(=O)COc2cnc3ccccc3n2)cc1 3361192 OYEWSVGONMVGSD-UHFFFAOYSA-N 307.353 3.210 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(Cl)nc2)cc1 3511699 HDOGMZDGAZHXEW-NSHDSACASA-N 303.745 3.472 0 40 DGAB C[C@]12C[C@H](O)[C@@]3(F)[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 4026890 XLODFPCYPIRCNC-BRZKLBMCSA-N 324.436 3.022 0 40 DGAB biogenic COC(=O)c1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 4182876 DKAXCTASYZWRAL-UHFFFAOYSA-N 313.397 3.172 0 40 DGAB COC(=O)c1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 4473993 MDQDBZLHKXWJMV-WJDWOHSUSA-N 321.332 3.126 0 40 DGAB Cc1cc(C)c2nc3s/c(=C/c4ccc(F)cc4)c(=O)n3c2c1 4499025 IVYSLHCMOAQHCQ-OQLLNIDSSA-N 324.380 3.213 0 40 DGAB COc1cccc(CC2=NCCc3cc(OC)c(OC)cc32)c1 5063123 YIMAOVALMUJOPL-UHFFFAOYSA-N 311.381 3.300 0 40 DGAB CCCN(CC1CC1)C(=O)CSc1nc2ccccc2[nH]1 6110160 XOHMLRSKLIDFCT-UHFFFAOYSA-N 303.431 3.304 0 40 DGAB CCOc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 6314934 LZXVCZFKBSKHTQ-UHFFFAOYSA-N 311.447 3.477 0 40 DGAB COc1ccc(-c2cc(C(=O)NC3CCCC3)on2)cc1OC 6873094 XRIQYXSNDBLODW-UHFFFAOYSA-N 316.357 3.031 0 40 DGAB COc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 7214367 ZLWBRSQNRBICRS-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB CCOC(=O)CS[C@@H](C)C(=O)Nc1ccc(F)cc1Cl 7506426 TXEJFOMXHSIJQD-QMMMGPOBSA-N 319.785 3.102 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccccc2C)n1CC 7605351 VUKALZCUEWDWIO-UHFFFAOYSA-N 318.446 3.290 0 40 DGAB O=C(CSc1ccc(F)c(F)c1)Nc1ccc2c(c1)OCO2 7927488 JPHFUQBGSFYSMZ-UHFFFAOYSA-N 323.320 3.424 0 40 DGAB CCOc1ccc(NC(=O)CNc2cc(C)ccc2OC)cc1 7972973 ONQHFARAVLDTKM-UHFFFAOYSA-N 314.385 3.453 0 40 DGAB CC(C)c1ccc(-c2nnn(-c3ncnc4sccc34)n2)cc1 8120464 WABKMLIWTZAZFY-UHFFFAOYSA-N 322.397 3.457 0 40 DGAB CC(C)CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 8314614 IGBGWDSETAOPBN-DOTOQJQBSA-N 318.461 3.382 0 40 DGAB Cc1nc2nc(NCc3ccc(Cl)cc3)nn2c(O)c1Cl 8994158 IGICHFACVBQSTQ-UHFFFAOYSA-N 324.171 3.057 0 40 DGAB CCc1ccc(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 9064029 RYFSYMPERQSLHV-UHFFFAOYSA-N 318.373 3.221 0 40 DGAB CCCOc1cc([C@@H]2NC(=O)c3ccccc3N2)ccc1OC 9466337 SOWBITZZHXRCDJ-KRWDZBQOSA-N 312.369 3.338 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccc(C(F)(F)F)cc2)c1 10025879 ZZEMTWYHWMKGJH-UHFFFAOYSA-N 322.286 3.317 0 40 DGAB Cc1nn(C)c2sc(C(=O)N(C)Cc3cccc(F)c3)cc12 11334235 JAVZLWMHUYBIPZ-UHFFFAOYSA-N 317.389 3.355 0 40 DGAB O=C(NC(=S)NCc1cccs1)c1ccc(Cl)cc1 12137561 QWDLASJXESHFHF-UHFFFAOYSA-N 310.831 3.206 0 40 DGAB COC(=O)CSc1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1 12868046 DBUWICKJXUGBNP-MRVPVSSYSA-N 324.427 3.188 0 40 DGAB CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(Cl)c(Cl)c1 12972087 QHHILGWNSPKPEK-MRVPVSSYSA-N 318.204 3.030 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1C 12977858 LGIQHRZQGJFZSS-HNNXBMFYSA-N 320.396 3.375 0 40 DGAB O=C(OCC(=O)c1cccc2ccccc12)c1ccc(CO)cc1 13001079 GZNCHKVJJCHVRY-UHFFFAOYSA-N 320.344 3.372 0 40 DGAB O=C(CN1CCc2ccccc21)NCc1cccc(Cl)c1 13056245 KXZQGHFYMFVDNY-UHFFFAOYSA-N 300.789 3.019 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)C1CCC1 13267163 SPQKEFAPQPHSOY-KRWDZBQOSA-N 309.413 3.225 0 40 DGAB COc1cccc(CNC(=S)Nc2ccc(C(C)=O)cc2)c1 13577419 SNLMUUROJHWVOM-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB C[C@H](OC(=O)CCc1nc2ccccc2[nH]c1=O)c1ccccc1 13598277 BYQWOPLZBUQAPI-ZDUSSCGKSA-N 322.364 3.160 0 40 DGAB CSc1nc2ccc(NC(=O)c3cnn(C)c3)cc2s1 14841686 KTYIHYISULXNCS-UHFFFAOYSA-N 304.400 3.004 0 40 DGAB COc1ccc(CN2CCc3nc4ccncc4cc3C2)c(F)c1 19551783 RACUEMQEFXOIGC-UHFFFAOYSA-N 323.371 3.336 0 40 DGAB COc1ccc([C@@H](c2ccc(Cl)cc2)N2CCNCC2)cc1 22115356 WQYALBMWJNGHIB-GOSISDBHSA-N 316.832 3.343 0 40 DGAB COc1ccccc1NC(=O)NC[C@H](c1cccs1)N(C)C 24367051 VYUNEKYDCFUZCN-CYBMUJFWSA-N 319.430 3.181 0 40 DGAB COC(=O)CCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 24980514 CFZIOCYBSGNWOP-UHFFFAOYSA-N 321.373 3.237 0 40 DGAB COC(=O)c1cn(CC(=O)N(C)c2ccccc2)c2ccccc12 26359655 ALXYVAXLYSCOIV-UHFFFAOYSA-N 322.364 3.091 0 40 DGAB O=C(CN(Cc1cccs1)C1CC1)NCc1cccs1 27107683 VYAATGCUCKXUKO-UHFFFAOYSA-N 306.456 3.090 0 40 DGAB CCC(=O)Nc1nn(Cc2cccc(C)c2)cc1Br 28228790 QRBDFTMVMQFFIE-UHFFFAOYSA-N 322.206 3.351 0 40 DGAB O=C(/C=C/c1ccco1)Nc1cccc(C(=O)N2CCCC2)c1 29264171 IDJPDDQTUWGJFG-CMDGGOBGSA-N 310.353 3.168 0 40 DGAB Cc1cc(CNC(=O)c2ccc3c(c2)OCCCO3)ccc1F 29774626 ALEQOJHHFDOIIS-UHFFFAOYSA-N 315.344 3.225 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1F 32983351 NRLOOPQFEVPZKM-BZNIZROVSA-N 313.328 3.305 0 40 DGAB CC(C)N1CCC(NCc2c[nH]nc2-c2cccs2)CC1 35052740 DPEDLUIXPMZGRC-UHFFFAOYSA-N 304.463 3.101 0 40 DGAB CN(C(=O)NCc1ccc(-n2cccn2)cc1)C1CCCCC1 46901158 RSDUKYDASIJYLA-UHFFFAOYSA-N 312.417 3.346 0 40 DGAB CCONC(=O)c1cc(-c2ccccc2F)nc2onc(C)c12 48234447 JHHJZJYNOAZUJO-UHFFFAOYSA-N 315.304 3.019 0 40 DGAB O=C([C@H]1CC(c2ccc(Cl)s2)=NO1)N1CCCCCC1 48666467 IKYCVKJMNVOJNJ-LLVKDONJSA-N 312.822 3.297 0 40 DGAB Cc1ccnc(NC(=O)COc2ccccc2C(F)(F)F)c1 58114800 LYUQVQNKFIIUDD-UHFFFAOYSA-N 310.275 3.426 0 40 DGAB CCC(C)(C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 64335972 JZNOHGZFUFVSAW-SECBINFHSA-N 324.475 3.161 0 40 DGAB CO[C@@H](CN[C@@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 65748582 VPHOYLOAYAAPCO-LIRRHRJNSA-N 315.413 3.396 0 40 DGAB in-vitro O=C(Nc1cccc(F)c1)C1CCN(Cc2cccnc2)CC1 69491082 HIFNBSBRSCOSTL-UHFFFAOYSA-N 313.376 3.071 0 40 DGAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1ccncc1 69536861 KFNFSDUZKYFWOX-NSHDSACASA-N 324.302 3.184 0 40 DGAB Cc1cnn(C[C@H](C)NCc2cc(-c3cccs3)on2)c1 69598024 KAFOYKIUUFVDRL-LBPRGKRZSA-N 302.403 3.086 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nc2ccccc2s1 69667071 FTDUCEJNYJDIGR-CABCVRRESA-N 315.442 3.276 0 40 DGAB O=C(Nc1cccnc1Oc1ccc2c(c1)OCO2)C1CCC1 71282590 NEGMGCGAXQUTRN-UHFFFAOYSA-N 312.325 3.341 0 40 DGAB CCc1ccccc1Nc1nc(C)c(C(=O)NCCOC)s1 71326580 BEVBJRBMWFVLHT-UHFFFAOYSA-N 319.430 3.134 0 40 DGAB Cc1cc(NC(=S)Nc2ccc(C(N)=O)cc2)ccc1F 71760595 BLJDMNPIJHODRO-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@H]3CCCC[C@H]32)n1 71839161 MQXQZJAFXLZFRP-OLZOCXBDSA-N 323.824 3.037 0 40 DGAB CCn1ccnc1CSc1nc(-c2ccccc2F)n[nH]1 71851880 WFUHXVOSDRSEIB-UHFFFAOYSA-N 303.366 3.120 0 40 DGAB CC[C@H](NC(=O)NCc1ccc(Cl)nc1)c1nc(C)cs1 71856628 CJNCUUQKYDKDDH-NSHDSACASA-N 324.837 3.450 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)Nc1cccc(C)c1C(=O)NC 71903564 ZHGYIDLENVLKDY-OAHLLOKOSA-N 318.417 3.031 0 40 DGAB O=C(CCCc1cccs1)Nc1cccc(-c2nc[nH]n2)c1 71907655 JWSOJTQLSDAGGC-UHFFFAOYSA-N 312.398 3.495 0 40 DGAB N[C@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227388 WEWPEWXTXJDILC-ZIAGYGMSSA-N 306.287 3.121 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)N[C@@H]1CCCOC1 72309655 DZLGOXJJQGHLKR-GFCCVEGCSA-N 303.387 3.111 0 40 DGAB CC(=O)N1CCC[C@H](Cc2nccnc2-c2ccc(C)cc2)C1 72365839 WEJLFYKMLHHPOZ-MRXNPFEDSA-N 309.413 3.253 0 40 DGAB CC(=O)N1CCC[C@@H](c2csc(Nc3ccc(C)cn3)n2)C1 72368113 HUKSUOFHSXHEKJ-CYBMUJFWSA-N 316.430 3.316 0 40 DGAB C[C@@H]1CCCN(Cc2c([C@@H]3CCCNC3)[nH]c3ncccc23)C1 72394700 KNCLSRWZFJXARD-HUUCEWRRSA-N 312.461 3.262 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)cc2OCC(F)(F)F)[nH]n1 72811680 LCHAZQUPYZJQRF-UHFFFAOYSA-N 317.242 3.051 0 40 DGAB Cc1cccnc1CNC(=O)N1CC[C@@H](Cc2ccccc2)C1 74107385 HNYYDTXNHBCCQV-KRWDZBQOSA-N 309.413 3.164 0 40 DGAB C[C@](CO)(NCc1nnc(-c2cccs2)o1)C1CCCCC1 77656896 GXGPAIWZQWDVJG-MRXNPFEDSA-N 321.446 3.219 0 40 DGAB C[C@H]1CN(C)c2ccccc2N(C(=O)CCc2ccncc2)C1 78878407 TZKBVIWZSLXMKV-HNNXBMFYSA-N 309.413 3.133 0 40 DGAB CN(CCOCC1CC1)C(=O)Nc1ccccc1N1CCCC1 83860998 CKFUNONAOUHYRL-UHFFFAOYSA-N 317.433 3.177 0 40 DGAB O[C@@H](CN(Cc1ccccc1)Cc1cscn1)c1ccco1 84496806 JQHPYYQMDKMVOM-INIZCTEOSA-N 314.410 3.472 0 40 DGAB CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)c(CC(=O)O)s1 85397375 RNSHGPREIQLJIS-UHFFFAOYSA-N 318.398 3.321 0 40 DGAB Cc1cc(NC(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 89262672 CKTRXRMUGKKSBY-GXTWGEPZSA-N 321.764 3.288 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)CCc1ccsc1 89894914 ZLAAZKOSCDCHCT-BBRMVZONSA-N 303.427 3.309 0 40 DGAB c1ccc(OCCOC2CCN(Cc3ccccn3)CC2)cc1 95399817 FCJGMRAKGBTART-UHFFFAOYSA-N 312.413 3.142 0 40 DGAB CCc1nc(C[C@@H](C)n2cc(Cl)cn2)sc1C(=O)OC 95431574 KJMKQJGMZQZHBQ-MRVPVSSYSA-N 313.810 3.146 0 40 DGAB CC(C)n1ccnc1CN1CCCN(C)c2ccc(F)cc21 95960985 FEYOHOMYGONWKZ-UHFFFAOYSA-N 302.397 3.450 0 40 DGAB COC(=O)CCC(=O)N[C@@H](Cc1ccccc1)c1cccs1 96408120 SBMHEDCJYIEGIA-AWEZNQCLSA-N 317.410 3.101 0 40 DGAB Cc1nc([C@H](C)NC(=O)N[C@H](C)CCc2cccn2C)cs1 96440015 KGAMYWLMIVXDLD-NEPJUHHUSA-N 320.462 3.172 0 40 DGAB COCCOc1cccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 97037405 HHZDPCCKJIONIW-BBWFWOEESA-N 303.402 3.081 0 40 DGAB COCc1nc(Cc2nc(-c3ccc(C)cc3F)no2)cs1 97377779 OEVCZQUABFUCKL-UHFFFAOYSA-N 319.361 3.378 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@@H](C)[C@@H](O)c2ccc(F)cc2)c1 97378732 FCKRYRKNYLOTST-BLLLJJGKSA-N 317.364 3.081 0 40 DGAB Nc1c(Br)cc(Cl)cc1C(=O)C(F)(F)F 103593795 VBALHJAZETWYIW-UHFFFAOYSA-N 302.477 3.430 0 40 DGAB O=C(CCN1CCC[C@@H](C(F)(F)F)C1)Nc1ccccc1F 192634007 PSASTIWJLBMIDV-LLVKDONJSA-N 318.314 3.429 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)C2CC2)cc1C(=O)N(C)C(C)C 193409851 ZJNFQZDJNWEJPR-CYBMUJFWSA-N 302.418 3.460 0 40 DGAB C[C@@H]1CCO[C@@H]1C(=O)N(C)c1ncc(-c2ccccc2)s1 195546094 XTUQMLQUEOIKBB-RISCZKNCSA-N 302.399 3.198 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NCC(C)C 224553388 GDRULPDKYUAWMB-QGZVFWFLSA-N 318.461 3.366 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cccc(C)n1 225584911 XTUHISWVWYXPGB-OAHLLOKOSA-N 320.506 3.331 0 40 DGAB COc1cc(N)cc(Br)c1NC(=O)CC(C)C 227146205 UVIXLICJKNPMBN-UHFFFAOYSA-N 301.184 3.025 0 40 DGAB Cc1csc(C(=O)N2CCC[C@H]2c2ccnc(N(C)C)c2)c1 257287957 PSFAIUJFOCPZOX-AWEZNQCLSA-N 315.442 3.495 0 40 DGAB O=C(c1ccccc1)N1CCC(N2CCc3ccccc3C2)CC1 264224507 WMCJMWZPZQPWSP-UHFFFAOYSA-N 320.436 3.350 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccc2[nH]ccc2c1 390826688 BEFNRRBFXFFBDN-MRXNPFEDSA-N 324.384 3.186 0 40 DGAB CCNC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408680040 XZNAKRMXIOXOOU-UHFFFAOYSA-N 310.328 3.064 0 40 DGAB CCCn1cc(I)c(COCC(C)C)n1 408716345 LVABAVBSZNXOLV-UHFFFAOYSA-N 322.190 3.070 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1Cc1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 409382999 SMKLXELWMBVSOF-UXOAXIEHSA-N 313.784 3.037 0 40 DGAB CCOC1CC(CN2CCN(c3ccccc3Cl)CC2)C1 506249210 SLZKLRKXUXXCFH-UHFFFAOYSA-N 308.853 3.277 0 40 DGAB Clc1cnc(CN2C[C@H]3CN(c4ccccc4)C[C@@H]3C2)s1 521393971 QMHYQQALIJJLDP-STQMWFEESA-N 319.861 3.365 0 40 DGAB CC(C)CO[C@H](C)c1nc(-c2ccc(OC(F)F)cn2)no1 562557325 OVWIZMWLWUKAEJ-SECBINFHSA-N 313.304 3.467 0 40 DGAB CCn1nncc1CN[C@@H](C)c1nc(-c2ccccc2)cs1 565701577 KKJFUAJJEVNMTJ-LBPRGKRZSA-N 313.430 3.272 0 40 DGAB CC(=O)Nc1nc([C@@H]2CCCCN2Cc2ccccn2)cs1 585268763 FWNVKBJKKWGTBU-HNNXBMFYSA-N 316.430 3.224 0 40 DGAB CC[C@H](NC(=O)[C@@H](CC(C)C)c1ccc(Cl)cc1)C(=O)O 1573942258 BKQLSRTXSSUEHY-KBPBESRZSA-N 311.809 3.449 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@H]12 2049238387 ONVVZSHYQMOXLN-YHDPVGPYSA-N 304.430 3.138 0 40 DGAB O=C(O)/C=C/C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 188979 VIGAAEWLQATVQN-MDZDMXLPSA-N 308.293 3.074 0 40 DGAB Cc1cccc(S(=O)(=O)Nc2ccc(OC(F)F)cc2)c1 2644855 OOFMTZYSGPVUTQ-UHFFFAOYSA-N 313.325 3.397 0 40 DGAB COc1cccc(C(=O)COC(=O)c2ccc3ccccc3n2)c1 2707905 XGLCJUQBYRSRNQ-UHFFFAOYSA-N 321.332 3.283 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2cccc(Cl)c2C)cc1 3151068 NPQLHDDGQCNFKC-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104667 USTXZXQVLIVEIS-AOQFCQGXSA-N 320.473 3.032 0 40 DGAB biogenic,in-vitro CCCCCN[C@H](CC(=O)Nc1c(C)cc(C)cc1C)C(=O)O 5258416 JDYVOSNTYSUJBS-OAHLLOKOSA-N 320.433 3.173 0 40 DGAB COP(=O)(OC)[C@](C)(O)c1ccc(Br)cc1 5377247 BXRVFNKMNBZKHW-JTQLQIEISA-N 309.096 3.100 0 40 DGAB CC(C)CC(=O)Nc1ccc(C(=O)COC(=O)C2CCC2)cc1 5507416 WUULSBVKUSHQGA-UHFFFAOYSA-N 317.385 3.197 0 40 DGAB COc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1OC 5693415 SDUIGRKHNCDYNF-LOWVWBTDSA-N 306.431 3.179 0 40 DGAB O=C1OC(/C=C/c2ccccc2)=N/C1=C\c1ccc2c(c1)OCO2 6060127 RSFMSMNQXDGDAA-GPGQUUKWSA-N 319.316 3.425 0 40 DGAB c1ccc(-n2ncc3c(SC[C@H]4CCCO4)ncnc32)cc1 6829734 VGXYPVJKBGWUTA-CYBMUJFWSA-N 312.398 3.087 0 40 DGAB CC[C@@H](C)OC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 7071228 YOEJZUPZMNNLBI-VSXLWIIGSA-N 319.382 3.065 0 40 DGAB O=C(Nc1cccc(Cl)c1F)[C@H]1COc2ccccc2O1 7407830 RVNFXGRTFWZDEL-CYBMUJFWSA-N 307.708 3.258 0 40 DGAB CCCc1ccc(C(=O)Cn2cnc3sccc3c2=O)cc1 7495076 NTQSRTGOSPEXJB-UHFFFAOYSA-N 312.394 3.293 0 40 DGAB Cc1ccc(NC(=S)NCCCn2ccnc2)cc1Cl 7502196 CRIJSNOPJPBIQL-UHFFFAOYSA-N 308.838 3.222 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1cc(F)ccc1F 8105624 UGTLOSQJWUANTF-UHFFFAOYSA-N 323.242 3.183 0 40 DGAB COC(=O)c1sccc1NC(=O)[C@H](C)Oc1ccc(C)cc1 9387504 WTFKWJCBYVICJB-NSHDSACASA-N 319.382 3.249 0 40 DGAB Cc1cccc(-c2nnc([C@H](C)Sc3nnc(N)s3)o2)c1 9593744 ACGZVTIEMHUZQH-QMMMGPOBSA-N 319.415 3.332 0 40 DGAB NC(=O)CN(C(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1 11246191 NVCXNCWQHZDTPN-UHFFFAOYSA-N 323.179 3.126 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1ccccc1F 11613858 MESXRTDEYJVJCY-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB Cc1nn(C)cc1CN(C)C(=O)c1ccc(C(F)(F)F)cc1 12065034 KYPIIJMDQZINPY-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2C(=O)N(C)C)cc1 12137029 VBODIEWMCBAWIA-UHFFFAOYSA-N 312.369 3.039 0 40 DGAB CCNC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 12222141 VKYBYMVBCXZTRB-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB Cc1ccc(-n2nnc(C(=O)OCc3ccccc3)c2C)cc1 12415677 QAJVHILNXWTILE-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@@H]3C[C@H]3C)n2)c(OC)c1 12924243 WUFMGJCZVJWHLG-BXKDBHETSA-N 318.398 3.422 0 40 DGAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)cc1 14232175 JKADJLMKCMBVPB-UHFFFAOYSA-N 305.374 3.276 0 40 DGAB Cc1ccc2oc(C(=O)Nc3nc4ccccc4[nH]3)cc(=O)c2c1 17304128 YZTYAHTXKFRXCU-UHFFFAOYSA-N 319.320 3.230 0 40 DGAB O=C(COc1ccccc1F)OCc1cc(-c2ccco2)on1 18277542 KEEGZUSTBVMPNX-UHFFFAOYSA-N 317.272 3.196 0 40 DGAB Cc1ccc(-c2nnc([C@@H]3CCCN(C(=O)C4CC4)C3)o2)s1 19217562 WYUQGEGHUAIONM-GFCCVEGCSA-N 317.414 3.223 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2-n2ccnc2C)cc1 20105478 FVJBMPNAIQDEEL-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1ccc(Cl)cc1N)NCC2 20458214 VUADPOYIHKDPEK-QGZVFWFLSA-N 318.804 3.175 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)cc1 20492840 SBPBDEJRFQHMEK-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB Cc1cc(-c2nnc3sc(CCCc4ccccc4)nn23)[nH]n1 22501716 NGRXSPARXBTNFG-UHFFFAOYSA-N 324.413 3.060 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C)o2)c(Cl)c1 25367299 MSCWIPOPDYTESP-UHFFFAOYSA-N 313.806 3.371 0 40 DGAB COCc1ccccc1CNC(=O)[C@H](C)OCc1ccccc1 30845854 LKCCBJKODOBTHK-HNNXBMFYSA-N 313.397 3.055 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)Nc1ccc2c(c1)OCO2 32827503 UAPPOLKXMZQOHY-UHFFFAOYSA-N 323.352 3.253 0 40 DGAB Cc1nc(S)sc1CC(=O)N1CCc2sccc2[C@@H]1C 32845638 PWERGAOBZDBKQL-VIFPVBQESA-N 324.496 3.490 0 40 DGAB COC(=O)c1ccc(C(=O)N2c3ccccc3C[C@H]2C)s1 32903781 JPJHHRJYHBRUSD-SNVBAGLBSA-N 301.367 3.126 0 40 DGAB Cc1cnc(C(=O)N2CC=C(c3c[nH]c4ccccc34)CC2)cn1 32904457 VOXKVCJAGHBUFN-UHFFFAOYSA-N 318.380 3.196 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccc(C)c2)N1 34689634 TVICYPJVNPJQDC-ROUUACIJSA-N 320.392 3.253 0 40 DGAB Cc1cc(C(=O)NCc2cccc(Cl)c2)c2c(C)noc2n1 36360899 HOWDRKDRTUIWRV-UHFFFAOYSA-N 315.760 3.423 0 40 DGAB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@@H](c2ccccc2)C1 38567190 KITJBNKLCLUWOQ-OAHLLOKOSA-N 319.360 3.423 0 40 DGAB COC(=O)c1ccc(C(C)C)c(I)c1 39951750 VIUQYXQVBWXXBV-UHFFFAOYSA-N 304.127 3.201 0 40 DGAB O=C(Nc1ccccc1)N1CCC(C(=O)O)(c2ccccc2)CC1 41058331 MSOYLKVSIRWTMO-UHFFFAOYSA-N 324.380 3.337 0 40 DGAB C[C@@H](NC(=O)Nc1cccnc1)c1ccc2c(c1)OCCCO2 42310693 RJUGGBHMOCVBED-GFCCVEGCSA-N 313.357 3.126 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NCc2cccc(Cl)c2)c1 42646323 DCYPYWDRXVJOOT-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB CCn1cc(NC(=O)N[C@@H]2CCSc3ccccc32)cn1 44935651 KVWDEDYUQQXGBE-CYBMUJFWSA-N 302.403 3.262 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1 46961503 NXVYJFZOMKUYFI-GUTXKFCHSA-N 320.433 3.420 0 40 DGAB Cc1ccc(NC(=O)NC2CCN(Cc3ccncc3)CC2)cc1 47323804 QSTDVQVQKNDVQJ-UHFFFAOYSA-N 324.428 3.176 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2OC)c(C)c1 47454259 VJMBTDYMYNXBIH-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Cc1ccc(CN(C)C(=O)c2nc(C(C)C)ncc2Cl)o1 50121211 JQPFFCSZQJOTHS-UHFFFAOYSA-N 307.781 3.427 0 40 DGAB C/C(=C/C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2)C1CC1 56458726 QKOGJMWPDASNHI-WIDZWVOGSA-N 314.433 3.024 0 40 DGAB CCCCN(CCO)C(=O)NCc1ccccc1OCC(C)C 57851671 ADJSREGMZDUTTF-UHFFFAOYSA-N 322.449 3.025 0 40 DGAB O=C(/C=C/c1cscn1)Nc1ccnn1C1CCCCC1 58329474 JVEHVRSANDAKBM-VOTSOKGWSA-N 302.403 3.497 0 40 DGAB COCCN(CCCc1ccccc1)C(=O)Nc1cc(C)on1 58343427 UMTWCFSNJNOWRI-UHFFFAOYSA-N 317.389 3.096 0 40 DGAB COc1ccc(-c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)cc1 62718899 OIZNYZSLYIHDQA-UHFFFAOYSA-N 311.341 3.165 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1(C)C 65475518 HSBDKNVVZRHBIM-HOCLYGCPSA-N 324.428 3.326 0 40 DGAB CCN(C(=O)c1nccc2ccccc12)c1ccc(OC)nc1 65589623 LLKYCGXQSLEQIE-UHFFFAOYSA-N 307.353 3.305 0 40 DGAB CC(=O)NCCCCCC(=O)N[C@@H](C)C(C)(C)c1ccccc1 65614409 JICJNJCMZZKOLL-HNNXBMFYSA-N 318.461 3.165 0 40 DGAB Cc1cc(C)c(-c2nc(-c3ccc(Cl)cc3)no2)c(=O)[nH]1 67225257 HHTFRCKQHMQXES-UHFFFAOYSA-N 301.733 3.362 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@@H](C)CCC[C@H]1C 68962630 NDPVTOZMBWGXAY-OKILXGFUSA-N 317.433 3.155 0 40 DGAB Cc1ccccc1CC(=O)N(C)C1CCN(c2ccccn2)CC1 69421125 HZUAAIQUCVSAQD-UHFFFAOYSA-N 323.440 3.060 0 40 DGAB CCOc1ccc(NC(=O)N[C@H](C)c2cn(C)nc2C)cc1C 69658027 RGADLTIKEPRYRY-GFCCVEGCSA-N 316.405 3.318 0 40 DGAB C[C@@H](OC(=O)c1ccncc1F)C(=O)c1ccc2c(c1)CCC2 71921835 URWGXNZVGQOWLN-LLVKDONJSA-N 313.328 3.138 0 40 DGAB Cn1nnnc1SCc1cccc(OCc2ccccc2)c1 72047694 MHPAAGPREYBVNI-UHFFFAOYSA-N 312.398 3.081 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 72235730 MDRORPVCKWLTQB-MRXNPFEDSA-N 319.449 3.013 0 40 DGAB Cc1cccnc1[C@@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(C)C 72285459 FVFZQZJWNUPJGE-IRXDYDNUSA-N 310.397 3.207 0 40 DGAB CCc1cccc(NS(=O)(=O)N(C)Cc2ccccc2)c1 72301184 ZXOWSCDFZSUJAD-UHFFFAOYSA-N 304.415 3.038 0 40 DGAB CC(C)Nc1cccc(C(=O)NCC[C@H](O)c2ccccc2)c1 72311535 ABRPROVZKNTSMD-SFHVURJKSA-N 312.413 3.360 0 40 DGAB Cc1nccn1-c1cccc([C@@H]2CCCN2Cc2ccccn2)n1 72378630 OQIHWLWWVWWJAW-SFHVURJKSA-N 319.412 3.308 0 40 DGAB CN(C(=O)CCCNc1ccccc1[N+](=O)[O-])c1ccccc1 72766757 QNONNMFXLDXMMY-UHFFFAOYSA-N 313.357 3.450 0 40 DGAB O=C(Nc1cc(N2CCCC2)ncn1)c1cc2ccccc2o1 75166312 GYLAQBPIIATTPW-UHFFFAOYSA-N 308.341 3.075 0 40 DGAB O=C(OC1CN(c2nc3ccccc3s2)C1)c1cccs1 75166593 KVQADQPAAHAYIY-UHFFFAOYSA-N 316.407 3.403 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)c(C)c1 78578364 AZYRYULVEGKNQP-KSSFIOAISA-N 311.381 3.321 0 40 DGAB C[C@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccccn1 79043979 RUVOVVAOFPASOU-NSHDSACASA-N 322.767 3.300 0 40 DGAB CCc1cc2c(N3CCC[C@H]3c3noc(C)n3)ncnc2s1 83820535 MXBGLBSMGRUVBY-LBPRGKRZSA-N 315.402 3.287 0 40 DGAB COC(=O)[C@@H](N[C@H](C)c1ccccc1OC)c1ccc(F)cc1 84660866 REWBEPZQIMDMMD-PXAZEXFGSA-N 317.360 3.399 0 40 DGAB Cn1cc(-c2ccco2)nc1CCNC(=O)/C=C/c1ccccc1 85471244 JUXKODBJAZYWQQ-MDZDMXLPSA-N 321.380 3.052 0 40 DGAB CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1cccc2[nH]ccc12 87554588 ORHWJMMLWJUCGA-QGZVFWFLSA-N 312.344 3.113 0 40 DGAB CCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@@H]2CC)cc1 89284862 JUYGDERNQSLQJV-PKOBYXMFSA-N 314.473 3.376 0 40 DGAB CC(C)(O)[C@H]1CCCN1c1ncc(C(F)(F)F)cc1Cl 89761632 ZMKIQTCZXJLDFE-SNVBAGLBSA-N 308.731 3.494 0 40 DGAB O=C(O)CO[C@@H](c1ccccc1Br)C(F)(F)F 95096409 MBXWFUFNSBRWCD-VIFPVBQESA-N 313.069 3.154 0 40 DGAB Cc1cc(F)ccc1N1CCC[C@@H](SC2=NCCS2)C1=O 95398115 WESUAPMDISJSCS-CYBMUJFWSA-N 324.446 3.466 0 40 DGAB CCc1cc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)on1 95423060 GHANRUBQYIPDJB-ZDUSSCGKSA-N 313.401 3.215 0 40 DGAB Cc1cc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)on1 95476492 ITDZKICVMRMFQW-UHFFFAOYSA-N 319.296 3.094 0 40 DGAB Cc1ccc(NC(=O)CCN2C(=O)CCc3ccccc32)c(O)c1 96415606 VVAVYOIPPJAJAY-UHFFFAOYSA-N 324.380 3.009 0 40 DGAB CO[C@H](CNC(=O)c1cccnc1C)c1cccc(Cl)c1 96431905 NNDQRLKBEOPSRA-OAHLLOKOSA-N 304.777 3.161 0 40 DGAB CCCCO[C@H]1C[C@H](NC(=O)c2cccnc2S)C1(C)C 96451584 VWCKTJSUPRIQMN-STQMWFEESA-N 308.447 3.084 0 40 DGAB COC(=O)CCCC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1F 97141994 FBBRUNXSBBYSCH-WFASDCNBSA-N 307.365 3.079 0 40 DGAB C[C@@H](Nc1cnn(C[C@@H]2CCCO2)c1)c1nc2ccccc2o1 97377294 TUVPWUZBKOHXKN-OCCSQVGLSA-N 312.373 3.376 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@@H]2C=C[C@H]1[C@H]1C[C@H]21 100793597 SYDQUWUBPNHBMA-OLZWRCARSA-N 311.381 3.011 0 40 DGAB O=C(NCCc1c[nH]c2ccc(Cl)cc12)[C@H]1C[C@H]2CC[C@H]1O2 107143911 YDGDIQIYIFGTQP-IVMMDQJWSA-N 318.804 3.048 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)c1cc(=O)[nH]c3ccccc13)C2 110532897 PNMKORDLCMNLRD-APXLUKDGSA-N 324.424 3.473 0 40 DGAB CC[C@@H](Nc1ccc(NC(=O)c2ccco2)c(C)c1)C(=O)OC 192838467 DKJUDAXPTJGAHS-CYBMUJFWSA-N 316.357 3.204 0 40 DGAB O[C@H](CSCc1ccc(-n2cccn2)cc1)C(F)(F)F 195578411 BQHKPQBLCBRDBE-GFCCVEGCSA-N 302.321 3.029 0 40 DGAB CC(C)CO[C@@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809743 VWZNXGHZCXTUMG-CQSZACIVSA-N 316.275 3.478 0 40 DGAB O=C(CCC1CCCCC1)Nc1cnc(N2CCCC2)nc1 224246091 IGFNVSCYDFTJIU-UHFFFAOYSA-N 302.422 3.376 0 40 DGAB C[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccn1 224555499 ZJFRZLCPYLDXQU-CQSZACIVSA-N 310.397 3.044 0 40 DGAB CN1CCC(NC(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225339867 VEEVTJNLXGHHTQ-UHFFFAOYSA-N 315.244 3.136 0 40 DGAB COC1(CNC(=O)Nc2ccccc2Cl)CCSCC1 225594336 AGZPADZPZFKEOW-UHFFFAOYSA-N 314.838 3.374 0 40 DGAB O=C(Cc1cccnc1)NCc1cncc(-c2cccs2)c1 225666975 JGQUUCUDCNDDCZ-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB C[C@@H](O)c1ccc(CCNC(=O)c2ccc(Cl)cc2)s1 225686939 DCQIPCWBBFUNCO-SNVBAGLBSA-N 309.818 3.427 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)cc1C 225749361 DSOUJGJWPPQXMZ-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)C(C)(C)c3cccc(F)c3)C2)n1 257314541 UXKVDFGQSAVWJN-ZDUSSCGKSA-N 315.392 3.151 0 40 DGAB Cc1nc(CN2CCO[C@H](Cc3ccccc3Cl)C2)co1 257330296 XNSMKSQTJRRMGO-OAHLLOKOSA-N 306.793 3.080 0 40 DGAB C[C@H](C(=O)N1CCC[C@H]1c1ccn[nH]1)c1cn(C)c2ccccc12 287250866 XIQNTAOOARSYAK-UGSOOPFHSA-N 322.412 3.369 0 40 DGAB O=C(Cc1ccc(F)cc1)NCC[C@@H](CCO)c1cccs1 575607559 MSRHQBHQHLADAI-AWEZNQCLSA-N 321.417 3.102 0 40 DGAB CC[C@H](CNC(=O)Cc1cc(C)no1)Oc1cccc(Cl)c1 576948418 XNDBMZFHIICZHN-CYBMUJFWSA-N 322.792 3.153 0 40 DGAB CCc1ccc2occ(C(=O)NCCc3c(C)n[nH]c3C)c2c1 585087607 SKLLTDLZERQLJO-UHFFFAOYSA-N 311.385 3.308 0 40 DGAB CNC(=O)c1cccc(NC(=O)Nc2ccccc2Cl)c1 586696983 GBVQALYVOBFRQK-UHFFFAOYSA-N 303.749 3.344 0 40 DGAB CN1CCC[C@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037835058 UPHBTHGOLHTOSD-ZDUSSCGKSA-N 310.376 3.345 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3cccs3)o2)n1 355938 MKEBVKQVKRPUSZ-UHFFFAOYSA-N 315.398 3.133 0 40 DGAB O=C(Nc1ccccc1COC(=O)c1ccco1)c1ccco1 383269 VXUSHQPOHKUXAQ-UHFFFAOYSA-N 311.293 3.482 0 40 DGAB Cc1ccccc1-c1nnc(SCCC(=O)NC(C)(C)C)o1 386089 ADHDQHLPNFBQSS-UHFFFAOYSA-N 319.430 3.442 0 40 DGAB CC(C)c1nc2ccccc2c(=O)n1C(=O)c1ccc(F)cc1 1371532 ORUKGRDMCMLTEE-UHFFFAOYSA-N 310.328 3.348 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)NCc2ccccc2)cc1C 2697024 UKYREPVCPCOAKH-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB CCOC(=O)CSCC(=O)Nc1cc(Cl)ccc1Cl 3238047 QTJHKQQSXISCEL-UHFFFAOYSA-N 322.213 3.228 0 40 DGAB c1cncc(-c2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 3427424 DRPQDKIQVZBZQF-AWEZNQCLSA-N 306.369 3.283 0 40 DGAB Cc1cc(C(=O)OCC(=O)Nc2c(C)cccc2C)c(C)o1 3464490 YZTQYHSVRNSTLG-UHFFFAOYSA-N 301.342 3.309 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1cccc(C(F)(F)F)c1 3619481 PODDTRMQIPBWEO-UHFFFAOYSA-N 313.231 3.094 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1CCC2=O 4104638 MGUDNDBPVZPSQA-QMWCDGKBSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro CC[C@H](O)c1cc2n(c(=O)c1C)Cc1cc3ccccc3nc1-2 5140015 WSXJPXFVULHYMX-KRWDZBQOSA-N 306.365 3.177 0 40 DGAB biogenic Cc1ccccc1-n1nnnc1SCc1ccccc1F 5353708 MECDSCXOXHUBMT-UHFFFAOYSA-N 300.362 3.402 0 40 DGAB COc1ccc(C(=O)NCc2ccc(Cl)cc2)c(OC)c1 5513261 DQNWWFNDMYFUQQ-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(F)c(F)c1 6375668 FQMQUCCDVBNOFZ-UHFFFAOYSA-N 319.307 3.079 0 40 DGAB CCOCCSc1nc(-c2cc(Cl)ccc2OC)n[nH]1 6464079 CZEYZFYUSCWNPO-UHFFFAOYSA-N 313.810 3.262 0 40 DGAB CN(C)C(=S)SCC(=O)c1ccc(Br)cc1 6637559 JXCYTTXTXUWVOP-UHFFFAOYSA-N 318.261 3.212 0 40 DGAB O=C(NCc1ccccc1Cl)c1nnc(-c2ccccc2)o1 6821768 JXCHFYQVZGICIT-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB O=C(OCc1nc2ccccc2o1)C1=Cc2ccccc2OC1 7640839 JZMNBGBELUGOIS-UHFFFAOYSA-N 307.305 3.347 0 40 DGAB CCc1cccc(CC)c1NC(=O)CN(C)Cc1ccco1 8198541 ZGJVFLSLNDCOGK-UHFFFAOYSA-N 300.402 3.475 0 40 DGAB CC[C@@H](CO)NCc1ccc(OCc2ccccc2)c(OC)c1 8326346 DMOGGRMOHHPXAC-KRWDZBQOSA-N 315.413 3.135 0 40 DGAB O=C(O)c1cccc2c1C(=O)N(Cc1c(F)cccc1Cl)C2 8773585 FOKWRONEBQFTDW-UHFFFAOYSA-N 319.719 3.333 0 40 DGAB in-vitro CC(C)n1nccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 9602350 DWLYVGRZAZGNFH-UHFFFAOYSA-N 321.764 3.141 0 40 DGAB O=C(COc1cccc2c1CCC2=O)Nc1ccccc1Cl 10197626 CYEBLPMIFJXYJM-UHFFFAOYSA-N 315.756 3.486 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@@H](c2nnc3ccccn23)C1 11009007 KGKADZYKHZKPEJ-CQSZACIVSA-N 321.384 3.141 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2F)c2ccccc2N1 12925983 KIPIHZNLPMTVRZ-LLVKDONJSA-N 302.280 3.029 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(F)cc1F 12997643 NLFDBNULSVDTOH-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)Sc1n[nH]c(N)n1 13121243 AONLUNOIWFKRKK-ZJUUUORDSA-N 319.434 3.020 0 40 DGAB Cc1cc(C)c2nc(NC(=O)CNC(=O)C(C)(C)C)sc2c1 13987786 CRLLRJLYPRJYPK-UHFFFAOYSA-N 319.430 3.014 0 40 DGAB C[C@H]1CN(Cn2nc(-c3cccs3)oc2=S)C[C@@H](C)O1 14086563 QRRDFPPVPLZBDE-AOOOYVTPSA-N 311.432 3.001 0 40 DGAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3c2c(C)nn3C)nc1 14899233 DCQMMJRGSWXEOY-UHFFFAOYSA-N 321.384 3.110 0 40 DGAB O=C(CN1CCSc2ccccc21)N1CCc2ccccc2C1 15785852 SJAGNMYIGVZLSQ-UHFFFAOYSA-N 324.449 3.184 0 40 DGAB COCCNCc1ccc(OCc2ccccc2C)c(OC)c1 16362777 ZGMFGXMQOIFIGH-UHFFFAOYSA-N 315.413 3.319 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCN(Cc2ccccc2)CC1 19632922 SRIJFPBZWUFLFD-UHFFFAOYSA-N 320.392 3.391 0 40 DGAB in-man COc1ccc(Cl)cc1-n1c(S)nnc1[C@H]1CCCO1 20726451 YTXUMCQEJRGFNX-LLVKDONJSA-N 311.794 3.070 0 40 DGAB Cc1ccc(N2CCN(CCCCN3CCCC3)CC2)c(C)c1 20999922 NKNKDEJFGHURGQ-UHFFFAOYSA-N 315.505 3.301 0 40 DGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1 22464321 OGNINUULURUOPV-AWEZNQCLSA-N 318.804 3.500 0 40 DGAB CCn1nnc2cc(C(=O)N3CC[C@@H]4CCCC[C@H]4C3)ccc21 23429536 PZNOOBNRJQUTOU-ZFWWWQNUSA-N 312.417 3.104 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1cccnc1 23874530 PBUWPSIKMJPSGN-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB C[C@@H](Oc1cccc(Br)c1)C(=O)Nc1ccncc1 27974822 CSXCUFIWKWFPOH-SNVBAGLBSA-N 321.174 3.250 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 32760800 DBXZQDNVHDJJFV-AWEZNQCLSA-N 311.715 3.082 0 40 DGAB COc1ccc(-c2cc(C(N)=O)c3ccccc3n2)cc1OC 33029058 GQBISOZTKOTQAE-UHFFFAOYSA-N 308.337 3.018 0 40 DGAB C=C(NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 36470279 RWVGXFCAOPUULL-UHFFFAOYSA-N 311.337 3.170 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)N1CCC[C@@H](C)C1 36714408 MRJBVEBWQGLNNP-RDTXWAMCSA-N 312.413 3.209 0 40 DGAB Cc1ccc(C)c(N[C@@H](C(=O)N2CCOCC2)c2ccccc2)c1 39983746 LEIAOPUXQCSUDI-LJQANCHMSA-N 324.424 3.315 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)NCC(C)(C)CN(C)C)c2c1 40070007 ZIUOKSNHFYHEPF-UHFFFAOYSA-N 315.461 3.031 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccccc2F)cc1F 40098006 DROXUJGWAWZJLA-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB O=C(NCc1ccco1)c1cnn(-c2ccc(Cl)cc2)c1 44253553 CCIVHLKLIDXUOM-UHFFFAOYSA-N 301.733 3.049 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1 45954025 OPWJSSBNFYEODY-INIZCTEOSA-N 309.365 3.270 0 40 DGAB CC(C)Oc1cccc(CNC(=O)Cc2ccc(F)cc2)c1 46656300 FTMSYMORHQZXKT-UHFFFAOYSA-N 301.361 3.472 0 40 DGAB C[C@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 48134847 OEDHAXNTPUYTFM-CQSZACIVSA-N 321.384 3.193 0 40 DGAB COCCc1nc(N)cc(Nc2cccc(C(F)(F)F)c2)n1 49467731 ROZKGWXHMHRNGP-UHFFFAOYSA-N 312.295 3.010 0 40 DGAB Nc1cc(Nc2ccc(C(=O)O)cc2)nc(-c2ccccc2F)n1 49467907 MMWJKKPMAXPNNC-UHFFFAOYSA-N 324.315 3.307 0 40 DGAB CCSc1cc(C(=O)N2CCC[C@H]2c2cc(C)no2)ccn1 53088743 RQRORVZRVKCVKF-ZDUSSCGKSA-N 317.414 3.467 0 40 DGAB CCc1nc(COc2cc(OC)ccc2C(=O)OC)cs1 58014482 MROMTIJTGGMYEU-UHFFFAOYSA-N 307.371 3.080 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(-n3cncn3)c(F)c2)cc1 58150762 LQURCXYKLIXPHC-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB C[C@@H]1COCCN1C(=O)Cc1coc2ccc3ccccc3c12 58377709 GTJRYCYEIWHXKM-CYBMUJFWSA-N 309.365 3.376 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCCN2CCC[C@@H]2C1 58406684 FWASEOPPZRGUCV-CQSZACIVSA-N 317.820 3.132 0 40 DGAB CCC[C@@H]1CCCN(C(=O)Nc2ccc(F)c(C(N)=O)c2)CC1 61750896 JNSFXLVEOFSMAT-GFCCVEGCSA-N 321.396 3.359 0 40 DGAB CC1(C(=O)Nc2ccc(Br)cc2F)CCOCC1 65565935 UTYNEZJVXVXRKB-UHFFFAOYSA-N 316.170 3.343 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@H](n4cccn4)C3)cc2c1 69432888 BKCXHFNHJSNHTJ-HNNXBMFYSA-N 309.369 3.415 0 40 DGAB O=C(CC(F)(F)F)NC1(c2ccc(Cl)cc2)CCOCC1 69563210 LREQGGJJUBYGQR-UHFFFAOYSA-N 321.726 3.414 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 69848754 KJZIROWBZBNRSQ-HNNXBMFYSA-N 309.369 3.415 0 40 DGAB CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCC[C@H](O)C2)cc1 71803457 ZAXJLYLZMSAJRB-HIFRSBDPSA-N 322.474 3.414 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)C[C@H]1CCCc2ccccc21 71888259 BPXWRIUVPZPBOU-DOTOQJQBSA-N 301.430 3.382 0 40 DGAB CC(C)[C@@H]1CN(C)CCN1c1ncnc2c1oc1ccccc12 72291277 DCUYBADQUKEBJJ-AWEZNQCLSA-N 310.401 3.152 0 40 DGAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 72384877 DKZXUMYWEUKVPS-CYBMUJFWSA-N 303.793 3.391 0 40 DGAB CN1CC[C@@H](Nc2cccc(COC3CCCCC3)c2)C1=O 81155365 FRQHVZDUDKQJJT-QGZVFWFLSA-N 302.418 3.179 0 40 DGAB COc1ccc(NC(=O)c2ccccc2)c(Br)n1 83937337 OGLAXUNEXPZNAU-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB C[C@H](O)CC(C)(C)CNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F 87424729 LZEMIJVIKNERCH-TUAOUCFPSA-N 309.372 3.268 0 40 DGAB NC(=O)c1csc(CNc2ccc(F)cc2OC(F)F)c1 89793615 NJZDUPRUKZGPHQ-UHFFFAOYSA-N 316.304 3.200 0 40 DGAB COc1cc(CN2C[C@@H]3CC=CC[C@H]3C2)cc(OC)c1OC 93590726 KAXIULCRKAVSNB-GJZGRUSLSA-N 303.402 3.110 0 40 DGAB NC(=O)C[C@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 93809278 ALFXLXPFZUGDSF-SNVBAGLBSA-N 301.217 3.081 0 40 DGAB CCOc1ccc(-c2nc(N(C)C)sc2CC(=O)O)cc1C 95097203 RAISMQDSVCLXHI-UHFFFAOYSA-N 320.414 3.210 0 40 DGAB Cc1cc(NC(=O)CNc2ccccc2SC(C)C)n(C)n1 95414918 BUOMFWCPFXEKOQ-UHFFFAOYSA-N 318.446 3.280 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N(C)[C@H]2CCN(C)C[C@@H]2C)c1 95418311 SQFQXDXUSPEOHV-WFASDCNBSA-N 309.841 3.452 0 40 DGAB COc1ccc([C@H](C)NCCc2ncc(C)s2)c(OC)c1 95423299 DWYQZCGUEHKTDF-LBPRGKRZSA-N 306.431 3.362 0 40 DGAB CCOC(=O)CCOc1cc(Br)cc(F)c1F 95734061 ZKGNIRBMDXTQEA-UHFFFAOYSA-N 309.106 3.059 0 40 DGAB c1ccc(-c2nc(CCNc3ncnc4ncccc34)co2)cc1 95973312 CMNZHVSESAXSCF-UHFFFAOYSA-N 317.352 3.334 0 40 DGAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3sccc3C)O2)n1 96041074 RYWNQALFUFKYBL-MGPQQGTHSA-N 319.430 3.243 0 40 DGAB CC(C)N1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1ccco1 96252227 WAJLVLJILWPGKP-FKEKPDDDSA-N 304.434 3.042 0 40 DGAB CO[C@@H](CNC(=O)/C=C/c1ccsc1)c1cccc(F)c1 96388295 HIDPYKYGKRSOSA-NFAHFFEMSA-N 305.374 3.404 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)C1(c2cccs2)CCCCC1 96414282 FEMBSHFPMOLIOV-AWEZNQCLSA-N 317.458 3.351 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NC[C@H](C)c1cccs1 96416107 MSZWAUQDEWPWAQ-NSHDSACASA-N 320.389 3.054 0 40 DGAB Cc1nc[nH]c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 96429875 FFDPCOUTVBMYIS-INIZCTEOSA-N 308.341 3.078 0 40 DGAB CC(C)[C@H](CCO)NC(=O)Nc1cccc(-c2nccs2)c1 96434233 JIILMJKJGIZCFM-AWEZNQCLSA-N 319.430 3.339 0 40 DGAB Cc1cnc([C@H](NCC(=O)Nc2ccccc2F)C2CC2)s1 97110855 BNZSMGPSUVDEQH-OAHLLOKOSA-N 319.405 3.270 0 40 DGAB COc1ccc(C2(CN[C@H]3CCCSC3)CCOCC2)cc1 97371039 YKGDSQMTQVAPDE-INIZCTEOSA-N 321.486 3.229 0 40 DGAB Clc1ccccc1[C@H]1C=C(c2cccnc2)Nc2ncnn21 101353397 QXPYHTQQVKIUOX-OAHLLOKOSA-N 309.760 3.383 0 40 DGAB Cc1ccc([C@H]2NC(=S)NC3=C2CCC[C@H]3CN(C)C)cc1 101375245 NRERSBYAYDKVRY-GOEBONIOSA-N 315.486 3.130 0 40 DGAB COc1ccc(C[C@@H](C)Nc2ccc3c(c2)OCC(=O)N3)cc1 136916288 BKNTVMCGRUZYFX-GFCCVEGCSA-N 312.369 3.069 0 40 DGAB COc1ccc(CC[S@](=O)Cc2c(F)cccc2F)cc1 195579431 MVTRICWVMISNEC-NRFANRHFSA-N 310.365 3.465 0 40 DGAB Cc1cnc(NC(=S)NCC(C)C)c(Br)c1 223877044 JTHFALAAKRZQOU-UHFFFAOYSA-N 302.241 3.095 0 40 DGAB Cc1ccccc1O[C@H](C)C(=O)NCCOCc1ccccc1 224414479 DUEOGASWYOXYFO-MRXNPFEDSA-N 313.397 3.095 0 40 DGAB CCOc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OCC 225059685 NLOQAVZHSAASMI-GZBFAFLISA-N 303.402 3.402 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)c(C)c1 225749219 HMVZMWZMDBOCFN-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB C[C@H](OC[C@H]1CCCO1)C(=O)O[C@H]1CCSc2ccccc21 245343840 VZAHCDAQVZLKRO-GUTXKFCHSA-N 322.426 3.351 0 40 DGAB O=C(NC1CC1)C(F)(F)Sc1ccccc1Br 256053339 RBHRYXOQVZABNB-UHFFFAOYSA-N 322.174 3.413 0 40 DGAB C[C@H](NC(=O)CCCSc1cnn(C)c1)c1ccccc1 257173219 GZRTYRWNPVLQPT-ZDUSSCGKSA-N 303.431 3.170 0 40 DGAB COc1ccc2c(c1)[C@@H](C(=O)N[C@@H](C)c1ncc(C)s1)CC2 277682688 OWPUEJYQBAUNAI-FZMZJTMJSA-N 316.426 3.367 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)C[C@@H](N[C@@H](C)c1nccn1C)CC3 378496065 LNAMIWJARIXPEV-KBPBESRZSA-N 308.429 3.418 0 40 DGAB COCCN1C(=O)S/C(=C/c2c(C)cc(C)cc2C)C1=O 409124475 HXERTHBQAVIDGR-NTEUORMPSA-N 305.399 3.295 0 40 DGAB CC[C@](CNc1ncnc2cnccc12)(OC)c1ccccc1 1775970650 HIWVMCKBTBPUNI-GOSISDBHSA-N 308.385 3.389 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1)Nc1ccccc1Cl 130819 YOJGXSDVKRYVET-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB O=C(Nc1cc2c(cc1Br)OCCO2)c1ccco1 387894 AEIKRJVOTGGRQH-UHFFFAOYSA-N 324.130 3.066 0 40 DGAB CC[C@@H](CO)C(=O)c1ccc(OCc2ccccc2)cc1O 481584 INMOYFYTGKSHJJ-AWEZNQCLSA-N 300.354 3.172 0 40 DGAB CCOC(=O)C(=Cc1csc2ccccc12)C(=O)OCC 1701108 MFHBXWOQZMZIGJ-UHFFFAOYSA-N 304.367 3.411 0 40 DGAB Cc1c(C(=O)Nc2cccc(Cl)c2)nnn1-c1ccccc1 2692755 OVBIYEALZAROPF-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1nc(OCC(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1 3562900 CHQMLDSNIMTPOQ-IUODEOHRSA-N 313.401 3.012 0 40 DGAB COCc1nnc(NC(=O)c2cc(Cl)ccc2Cl)s1 4558818 IMPOWKPLFRITKM-UHFFFAOYSA-N 318.185 3.244 0 40 DGAB c1ccc(-c2n[nH]c(SCc3ccc4c(c3)OCO4)n2)cc1 5210027 CDSRHSSXOUQCJE-UHFFFAOYSA-N 311.366 3.493 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@H]1O 5568178 PMAMYTOKWXLKLC-VXGBXAGGSA-N 303.189 3.418 0 40 DGAB Nc1cc(C(=O)OCC(=O)c2ccccc2F)ccc1Cl 5656358 NJPLAANCHGZNAB-UHFFFAOYSA-N 307.708 3.101 0 40 DGAB Fc1ccc(C2=NN=C(NCCc3ccccc3)SC2)cc1 5865925 BWOXKEGWBBRGFB-UHFFFAOYSA-N 313.401 3.465 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1cc(F)ccc1F 6376721 WBXFPBZWKSYLSS-UHFFFAOYSA-N 307.296 3.381 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 6641530 LVDYVPKRXRFDHE-APPZFPTMSA-N 302.157 3.131 0 40 DGAB O=C(CN1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc(F)c(F)c1 8187823 BUNYGXSEUMBLAI-QWHCGFSZSA-N 308.372 3.415 0 40 DGAB CCSc1nnc(NC(=O)/C=C/c2csc(C)n2)s1 8924426 CKHCIKRGTBUNDA-SNAWJCMRSA-N 312.445 3.067 0 40 DGAB FC(F)(F)c1nnc2sc(-c3c[nH]c4ccccc34)nn12 8990277 MJZCNQOCUZLMFD-UHFFFAOYSA-N 309.276 3.353 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C)c(F)c2)c1 10031705 LHLQWZOULBDCFJ-UHFFFAOYSA-N 319.332 3.169 0 40 DGAB CCc1cccc(NC(=O)COC(=O)Cc2cccs2)c1 11624081 HRHFBXDSHZZQQS-UHFFFAOYSA-N 303.383 3.035 0 40 DGAB O=C(Cc1cc(-c2ccc(F)cc2)on1)Nc1nccs1 11693162 VLXQBZOYEBCHPN-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB O=c1/c(=C\c2ccc(Cl)cc2)sc2nc3ccccc3n12 12370111 KXQILZSNILUVNI-NTEUORMPSA-N 312.781 3.110 0 40 DGAB CCCn1c(NC(=O)c2cccnc2OCC)nc2ccccc21 12580854 TVGGLRNKAOSENK-UHFFFAOYSA-N 324.384 3.492 0 40 DGAB O=C(Nc1cc2c(cc1Cl)OCCCO2)c1ccccn1 12757537 KTPOTXNVSSPAED-UHFFFAOYSA-N 304.733 3.149 0 40 DGAB CCCCc1ccc(CC(=O)Nc2cccc(C(N)=O)c2)cc1 12860694 KEHZKLDHFPQVDP-UHFFFAOYSA-N 310.397 3.309 0 40 DGAB COc1ccc(-c2nc(C)c(C(=O)NC(C)C)s2)cc1OC 17301281 BXCUTLWAZXFLFG-UHFFFAOYSA-N 320.414 3.274 0 40 DGAB Clc1ccc(C2(N3CCC(N4CCOCC4)CC3)CC2)cc1 19332801 HMCSKNFMERKUSC-UHFFFAOYSA-N 320.864 3.126 0 40 DGAB Oc1cc(-c2ccncc2)nc2cc(-c3ccc(F)cc3)nn12 19336746 IVHOIYAATMSYHA-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB O=C(CCC1CCCC1)N1CCN(Cc2cccc(F)c2)CC1 19889377 JUJWBMJJBZRXMO-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB CN1CCN(CCOc2ccc(Cl)c3ccccc23)CC1 22089507 OAWRVTXAKUOAQB-UHFFFAOYSA-N 304.821 3.119 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1ccc(F)cc1 22526773 BFJIOHCIZNQNBE-UHFFFAOYSA-N 313.781 3.099 0 40 DGAB CCn1nnc2cc(C(=O)N3CC[C@H]4CCCC[C@@H]4C3)ccc21 23429531 PZNOOBNRJQUTOU-UKRRQHHQSA-N 312.417 3.104 0 40 DGAB Cc1ccc(CN(C)C(=O)c2[nH]c3c(c2C)C(=O)CCC3)o1 23496370 VWSUSWZVWGBMGU-UHFFFAOYSA-N 300.358 3.016 0 40 DGAB COc1ccc(CNC(=O)N2CCC[C@H]2c2cccnc2)cc1 25099810 KDSOUBGMLBLHBE-KRWDZBQOSA-N 311.385 3.137 0 40 DGAB Cc1ccc(CCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 25767412 RMMACRRBCUNCTG-UHFFFAOYSA-N 322.452 3.272 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1 25812847 RLWXSBFAWQPISR-CYBMUJFWSA-N 320.483 3.331 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc3c(c2)OCCO3)n1 26393889 DODSXEPADMWPEM-MRXNPFEDSA-N 324.380 3.139 0 40 DGAB CCc1nnc(CSc2nnc(-c3ccc(C)cc3)n2C)o1 29814512 NEMZXAJAUSUEEM-UHFFFAOYSA-N 315.402 3.028 0 40 DGAB O=C(c1ccc(Br)cc1)N1CCOc2ccccc21 30578574 SRHRQXLGAOWJGN-UHFFFAOYSA-N 318.170 3.488 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@@H]2c2nc3ccccc3s2)cn1 31389400 LCPHIRSZEZYHMG-CQSZACIVSA-N 324.409 3.372 0 40 DGAB Cc1nn(Cc2ccccc2F)c(C)c1NC(=O)c1cccnc1 32610098 FWXUCHOFUJOOML-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB Cc1ccc(NC(=O)COc2ccccc2-c2noc(C)n2)cc1 33324978 VYBFKCIKCZVGDA-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CC(C)(C)C[C@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 38083626 CZMHJJDBNJLLPE-HOCLYGCPSA-N 309.475 3.188 0 40 DGAB COC(=O)[C@H](F)CN(Cc1ccccc1)Cc1ccccc1 38247907 OBKSTEOVEUUBBH-QGZVFWFLSA-N 301.361 3.200 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1cccnc1 40474231 VIQJVIANZJQFPT-AWEZNQCLSA-N 316.430 3.102 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCCc1ccccn1 42963972 SFIUROQZAQSZIV-HNNXBMFYSA-N 315.442 3.405 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2cn3c(C)cccc3n2)cn1 44638766 CRRRERWAUFUPJB-UHFFFAOYSA-N 323.400 3.136 0 40 DGAB COCCN(Cc1ccccc1)Cc1noc(C(C)(C)C)n1 46057917 PUQDSPUNHVUAKF-UHFFFAOYSA-N 303.406 3.016 0 40 DGAB CC[C@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47103244 AZIURTJSAYCDOE-JTQLQIEISA-N 317.414 3.260 0 40 DGAB Cc1cc(C)n(-c2ccccc2NC(=O)NCc2ccoc2)n1 47842122 BGQCJYKXRPDSFR-UHFFFAOYSA-N 310.357 3.404 0 40 DGAB CCN1CCN(C(=O)/C=C/c2ccc(Cl)cc2Cl)CC1 54559776 CIBXQFIVWXQMBI-GQCTYLIASA-N 313.228 3.171 0 40 DGAB Cc1ccc(C(=O)NCC2(c3ccccc3C)CCOCC2)o1 55760686 RHHXGVPGHZRAJS-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(C)(C)CC)cc1 56158374 UYCRMJIMWYMNKP-GFCCVEGCSA-N 321.421 3.360 0 40 DGAB C[C@H](NC(=O)C[C@H]1C=CCC1)c1nc(-c2ccc(F)cc2)no1 58291169 IHGMSAHVHXANJY-RYUDHWBXSA-N 315.348 3.409 0 40 DGAB CCCCS(=O)(=O)N[C@H](C)c1ccc(OC(F)F)cc1 64943759 ZUPVLIILRMENSW-SNVBAGLBSA-N 307.362 3.069 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCN([C@H](C)c2ccccc2)C1 65140370 UKMKVNKIMRWVEO-UKRRQHHQSA-N 315.442 3.017 0 40 DGAB CC(C)c1nc2ccc(NC(=O)N3CCOCC3)cc2s1 65591040 QOOFTWVIUBLPET-UHFFFAOYSA-N 305.403 3.284 0 40 DGAB CCOCCCNC(=O)c1ccc(-c2nc(C)cs2)cc1 65603780 DTHKHMBDBRWKDB-UHFFFAOYSA-N 304.415 3.275 0 40 DGAB O=C(OCCCc1cccnc1)c1ccc(Br)o1 66782365 IOIIYUFNQILHCE-UHFFFAOYSA-N 310.147 3.227 0 40 DGAB COc1ccc2c(cc(C(=O)O)n2Cc2ccccc2)c1OC 67803002 AHIAESRMRLXSOA-UHFFFAOYSA-N 311.337 3.405 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3)[nH]c2=O)CC1 68783387 HBNKISQQBDSKQG-CQSZACIVSA-N 310.397 3.304 0 40 DGAB O=C(NCc1ccc(Oc2ccccc2)nc1)c1cccnc1 69351922 FUDFCZMQHQKMKJ-UHFFFAOYSA-N 305.337 3.199 0 40 DGAB Cc1cc(C[S@](=O)Cc2cc(-c3ccccc3)on2)on1 69820978 NQRBCZHHQGMVOU-NRFANRHFSA-N 302.355 3.087 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)c(F)c2)[C@H](N)C1 71790652 SHDNLRJVAIEXBN-SMDDNHRTSA-N 312.360 3.017 0 40 DGAB CN(Cc1ccco1)C(=O)NCCc1nc(C(C)(C)C)cs1 71856736 ILYXHXGQVNVSOE-UHFFFAOYSA-N 321.446 3.418 0 40 DGAB CC(C)c1cc(NC(=O)c2ccc([S@](=O)C(C)C)cc2)[nH]n1 71921264 MIEXSERNZHNINS-QFIPXVFZSA-N 319.430 3.301 0 40 DGAB O=S(=O)(c1cccnc1)N(Cc1ccccc1)c1ccccc1 72002468 ARJXXEROSRBVQP-UHFFFAOYSA-N 324.405 3.477 0 40 DGAB CCOc1ccc(NC(=O)NC[C@](C)(O)c2cccs2)cc1 75156101 MXPOSKCGFQEAJD-INIZCTEOSA-N 320.414 3.176 0 40 DGAB CCO[C@H]1C[C@H](NC(=O)c2c(C)noc2C)C12CCCCC2 76042209 ULEVOVPQXDOQIJ-KBPBESRZSA-N 306.406 3.149 0 40 DGAB CC(C)(C)n1nc(C(=O)OC2([C@@H]3CCOC3)CC2)cc1C1CC1 76090193 LDQOQZRYECHMTM-CYBMUJFWSA-N 318.417 3.241 0 40 DGAB CCS[C@H]1CCCC[C@H]1NC(=O)NCc1cccc(CO)c1 78384872 APTFVHGXMCVYAU-CVEARBPZSA-N 322.474 3.042 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)Nc1nnc(C2CC2)s1 84811995 LURLTOGJIOGRFR-NXEZZACHSA-N 312.464 3.211 0 40 DGAB COc1ccc([C@@H](C)NCc2ccc([S@@](C)=O)cc2)c(F)c1 90221502 OTXDVGSSXAENNP-IPQOISQHSA-N 321.417 3.423 0 40 DGAB CC[C@H](Nc1nccn2cnnc12)c1ccccc1OC(F)F 95404332 CSNAALHGWCHBSV-NSHDSACASA-N 319.315 3.289 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@H]1CCOC1 95447294 ZTZLBEPWKVSGPY-JQWIXIFHSA-N 314.788 3.046 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2cc(C)n(C3CC3)c2C)C2CC2)n1 95463115 KLGUNNSBVNGIGH-QGZVFWFLSA-N 324.428 3.419 0 40 DGAB CSc1c[nH]nc1NS(=O)(=O)c1cccc(C(C)C)c1 95466388 ZFFOVQOGYGXRAU-UHFFFAOYSA-N 311.432 3.056 0 40 DGAB Cc1noc(-c2cccnc2N2CCC[C@@H]2c2ccccn2)n1 95963868 QHVBSLBAPGMQHI-OAHLLOKOSA-N 307.357 3.177 0 40 DGAB C[C@@H](C(=O)N1CCCN1C(=O)OC(C)(C)C)c1ccsc1 95977904 ZYHVPDANJHREAQ-LLVKDONJSA-N 310.419 3.236 0 40 DGAB Cc1nc([C@@H]2COCCN2CCOCc2ccccc2)cs1 96220624 OKXSWXQSXCCMTQ-KRWDZBQOSA-N 318.442 3.042 0 40 DGAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cc1 96403939 IDACHFCIVHHYMB-OAHLLOKOSA-N 311.429 3.402 0 40 DGAB Cc1ccc([C@@H]2CCCN2C(=O)c2cc(C(=O)O)co2)s1 97115265 GRSNIPFJZIDVGV-NSHDSACASA-N 305.355 3.325 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@@H](C1CCCC1)C(F)(F)F 97377952 QEJBXQMUNMOPIL-LBPRGKRZSA-N 319.327 3.212 0 40 DGAB CCOC(=O)[C@@H]1[C@H]2CC[C@@]3(CC(=O)c4cc(Cl)ccc4O3)[C@@H]21 100123803 NNSGKJRIAUOMNB-KHSQJDLVSA-N 320.772 3.263 0 40 DGAB O=C(NC1C[C@H]2CC[C@H](C1)N2C1CC1)c1ccc(Cl)cc1 100422968 FWMBFLKMSWCYHJ-HZPDHXFCSA-N 304.821 3.228 0 40 DGAB CC(C)/N=c1/ccccn1C(=O)Cc1ccc(-n2cccc2)cc1 101771955 QXSDCKWHTMVQLV-VZCXRCSSSA-N 319.408 3.471 0 40 DGAB O=C(COC1CCCC1)n1cccc/c1=N\C1CCCCC1 102152707 CGKSRTSZRLDDET-HTXNQAPBSA-N 302.418 3.321 0 40 DGAB CC[C@H](Oc1ccc(Cl)c(C)c1)C(=O)NC1CCN(C)CC1 113971217 HHPQUXITPHOIFD-INIZCTEOSA-N 324.852 3.016 0 40 DGAB O=C1N/C(=C/c2ccc(Cl)cc2)C(=O)N1Cc1ccccc1 144949189 XHFLRQHYEVLQMH-XNTDXEJSSA-N 312.756 3.433 0 40 DGAB COc1ccccc1-c1nnc(CN[C@@H]2CCCC[C@@H]2C)o1 162409047 CRWYEIAFULYWPF-GXTWGEPZSA-N 301.390 3.414 0 40 DGAB CO[C@@H]1CCCC[C@H]1N[C@@H](C)CC(=O)Nc1ccccc1C 195541086 VJVNDDABPNKQBI-USXIJHARSA-N 304.434 3.259 0 40 DGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222813000 NOJMVJPXRMYDTB-CABCVRRESA-N 301.415 3.364 0 40 DGAB CC(C)NC(=S)Nc1ncc(Cl)cc1Br 223872908 NEAXAHKNYGOIRO-UHFFFAOYSA-N 308.632 3.192 0 40 DGAB COCc1cc(C(=O)N2CCc3ccccc3C2)ccc1OC 224401528 FICIZBYCYRATEM-UHFFFAOYSA-N 311.381 3.040 0 40 DGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccn1 224547666 HXHQKCNMUFWCIR-CQSZACIVSA-N 310.397 3.044 0 40 DGAB Cc1ccc(CC(=O)NCCSCc2ccco2)c(C)c1 225394816 FVCWLZLRRGRGKV-UHFFFAOYSA-N 303.427 3.489 0 40 DGAB COc1ccc(CCCNC(=S)Nc2cccc(C)n2)cc1 225558009 UAAVSCUWIVFDLQ-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB CCC[C@@H](C)NC(=O)c1snnc1-c1ccc(OC)cc1 225763412 CNJZTJSTANWRMG-SNVBAGLBSA-N 305.403 3.132 0 40 DGAB CC(=O)N1CCCC[C@H]1c1cc(-c2nc(C)cs2)nc(C)n1 257246291 ITLZYUKGZBDULG-HNNXBMFYSA-N 316.430 3.290 0 40 DGAB CCOc1ccc(-c2cc3ccccn3c2C(=O)C(=O)O)cc1 408678551 SPOQESVLHFDRCC-UHFFFAOYSA-N 309.321 3.272 0 40 DGAB CN1C(=S)N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc[nH]1 409135321 UKBYMFLKNCFSDN-LCYFTJDESA-N 317.801 3.273 0 40 DGAB O=C(NCCc1ccccc1)NCc1cncc(-c2ccoc2)c1 575619249 BJKWZWVTPZPNGQ-UHFFFAOYSA-N 321.380 3.384 0 40 DGAB O=C(NC[C@@H](O)c1cc(-c2ccco2)cs1)c1ccoc1 1775968750 UMUYNKWXTDPFBN-GFCCVEGCSA-N 303.339 3.065 0 40 DGAB COCC(=O)Oc1ccc2c(=O)c(-c3ccccc3)coc2c1C 2060993671 HJJTZEXUHFVVRU-UHFFFAOYSA-N 324.332 3.320 0 40 DGAB O=C(O)c1ccc([C@H]2NCc3ccccc3-n3cccc32)cc1 56293 KSERTGUHLVIODL-GOSISDBHSA-N 304.349 3.368 0 40 DGAB CC(C)c1noc(CCCC(=O)N(C)Cc2cccs2)n1 46738072 DGBKVNDCQZVKPA-UHFFFAOYSA-N 307.419 3.236 0 40 DGAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1cccc(Cl)c1)OC2=O 350727 OUTICLKBUIURAF-CVEARBPZSA-N 307.777 3.400 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)N1CCCc3ccccc31)OC2=O 407359 ABWBCQMJMOTENL-RTBURBONSA-N 313.397 3.088 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)[C@@H]1Cc2ccccc2C1=O 408379 XOMGAFLXSGXOAG-AWEZNQCLSA-N 304.349 3.120 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)N(C3CC3)[C@H](C)C3CC3)cc12 97212669 DHPPLZGCZQVHMB-LLVKDONJSA-N 313.405 3.072 0 40 DGAB CSc1ccc(Cl)c(C(=O)NCCCN2CCCC2)c1 61547402 VKHOBCIOXNCYEQ-UHFFFAOYSA-N 312.866 3.278 0 40 DGAB COc1ccc(C(=O)COC(=O)c2cc(C)ccc2C)cc1F 7418720 FBMBTGXMTITIMK-UHFFFAOYSA-N 316.328 3.491 0 40 DGAB COC(=O)c1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885952 SMYPSJKNGDSFNY-KRWDZBQOSA-N 322.364 3.202 0 40 DGAB Cc1nn(-c2nc3c(Cl)cccc3s2)c(C)c1C(=O)O 57351342 DAKLDPJCCBHJPO-UHFFFAOYSA-N 307.762 3.450 0 40 DGAB CCc1ccc(C(=O)N[C@H](C)c2nnc3n2CCCCC3)s1 42496922 RNTVLARGVAVSST-LLVKDONJSA-N 318.446 3.119 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccccc1C 8495915 OZQIXOUDDMJHMG-INIZCTEOSA-N 313.397 3.477 0 40 DGAB COc1ccccc1NC(=O)COc1ccc(C=O)cc1Cl 33721895 CRWXXKVBDFOHDS-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB COc1ccccc1OCC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 105697358 JPONRDIGEBUFDY-QPSCCSFWSA-N 303.402 3.015 0 40 DGAB Cc1cccc(NC(=O)N2CCC(OCCC(C)C)CC2)n1 97378643 LKIPNZBQYZOSSU-UHFFFAOYSA-N 305.422 3.449 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2 20431719 SGIJZRHGQKVCCP-UHFFFAOYSA-N 322.817 3.417 0 40 DGAB O=C(Nc1ccc2ccccc2n1)c1cc(=O)[nH]c2ccccc12 84598143 KAOHHLHKPQGXFN-UHFFFAOYSA-N 315.332 3.329 0 40 DGAB O=C(Nc1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1 84576674 OWZIITBZBHCXFO-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB COCCOc1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 44301341 MPLGXLBLMJIKKE-XJKSGUPXSA-N 306.406 3.412 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)cc1 3317940 YEHAMRRVWZVYFE-CQSZACIVSA-N 309.365 3.130 0 40 DGAB CC(C)(C)c1ccc(=O)n(CCOc2cccc(Cl)c2)n1 66264577 MQFJQWILLCFCDT-UHFFFAOYSA-N 306.793 3.273 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1 12824092 LBLJVRVCRIDSKH-SFHVURJKSA-N 323.371 3.008 0 40 DGAB CC(=O)c1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 3494325 STPCEBLVFVCZKE-UHFFFAOYSA-N 309.365 3.395 0 40 DGAB Cc1cc(C)c(NC(=O)CCNC(=O)c2ccsc2)c(C)c1 12939681 CJURYWMJARWSBY-UHFFFAOYSA-N 316.426 3.432 0 40 DGAB C[C@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1 12999031 AABUUANQZPGGJR-QMMMGPOBSA-N 311.168 3.173 0 40 DGAB COc1cccc([C@H]2C[C@@H](c3ccccc3)n3ncnc3N2)c1 13132244 PXDBNEQWOSGLRQ-SJORKVTESA-N 306.369 3.433 0 40 DGAB aggregator Cc1nc(-c2ccncc2)sc1C(=O)Nc1nccs1 71284783 XIOUTWRQSLOJRF-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB Cc1cc(C)c(NC(=O)c2ccc3c(c2)NC(=O)CO3)c(C)c1 9114434 DZJVYQHHKIENLU-UHFFFAOYSA-N 310.353 3.195 0 40 DGAB CCC(CC)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 65535565 IEXVWZWGKXMLIX-SNVBAGLBSA-N 305.353 3.489 0 40 DGAB COC(=O)c1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 6405800 OVCJDKPGKLVZGV-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCO1 14139209 GUOMOAFHPDJYOA-CYBMUJFWSA-N 315.344 3.479 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cc(C)ccc2C)C1 6595002 MHSRZYZZYFKQMD-CQSZACIVSA-N 304.390 3.110 0 40 DGAB CC(C)C(=O)Nc1cccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)c1 4722511 LXDGMHVSPMKNBY-KBPBESRZSA-N 302.418 3.399 0 40 DGAB COc1cccc(CNC[C@H](C)O)c1OCc1ccc(C)cc1 6745281 FHEGGUHCJAUKRW-HNNXBMFYSA-N 315.413 3.053 0 40 DGAB Cc1cc(NC(=O)[C@@H]2CCCS2)n(-c2ccccc2F)n1 96436314 PWKFLJIACXAXFS-ZDUSSCGKSA-N 305.378 3.154 0 40 DGAB c1ccc2c(c1)ncn2-c1ccc(CNCc2ncc[nH]2)cc1 67695967 MPNLZKDRXUSHLW-UHFFFAOYSA-N 303.369 3.038 0 40 DGAB CC(=O)c1ccc(NC(=O)N(CCN(C)C)C(C)C)cc1C 96005890 FXNAJNQVDBQOEQ-UHFFFAOYSA-N 305.422 3.002 0 40 DGAB O=C(NCc1ccccc1F)[C@@H]1Cc2cc(Cl)ccc2O1 15606984 VTMOJSMNKYQFSO-HNNXBMFYSA-N 305.736 3.099 0 40 DGAB CCC[C@@H](NC(=O)Cc1ccccc1C)c1nnc2ccccn12 69348967 IPDICZZRKVNKPE-MRXNPFEDSA-N 322.412 3.238 0 40 DGAB CCc1ccc(C(=O)Cn2cnc3cc(F)ccc3c2=O)s1 8486160 SAWSTFHJXPZBQS-UHFFFAOYSA-N 316.357 3.042 0 40 DGAB CCC(CC)C(=O)Nc1cc(Cl)ccc1N1CCN(C)CC1 9470989 RUVRPDOTWLMFOR-UHFFFAOYSA-N 323.868 3.467 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)NCCc1ccccn1 69589979 JEPZSIKTTCCLCU-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB c1ccc(-c2nc(CSc3ncnc4nc[nH]c34)co2)cc1 69702440 JKASDTPQOZTFBC-UHFFFAOYSA-N 309.354 3.300 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H]1Cn1cccn1 69741919 DPLNICZWQIOXHK-AWEZNQCLSA-N 315.442 3.128 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)C[C@H]2C=CCC2)n1 71865463 UKYPKUGMYGDHJJ-IRXDYDNUSA-N 301.434 3.237 0 40 DGAB COc1ccc(C(=O)N(C)Cc2ccco2)c(Br)c1 71853398 SPGNSYAXBCXFRP-UHFFFAOYSA-N 324.174 3.323 0 40 DGAB Cc1oc(-c2ccco2)nc1CN[C@@H](C)[C@@H](C)n1cccn1 71882110 HVXGTOAZJOXUMT-NWDGAFQWSA-N 300.362 3.179 0 40 DGAB Cc1csc([C@H](NC(=O)N2C[C@H]3CCC[C@@H]3C2)C2CC2)n1 95410901 ABIXRNOWEHETHD-MGPQQGTHSA-N 305.447 3.344 0 40 DGAB Clc1ccc(Cc2nnc(NCc3cccnc3)o2)cc1 97036874 GBABZYBHOUMLLT-UHFFFAOYSA-N 300.749 3.321 0 40 DGAB NC(=O)N1CCC(N[C@@H](CC2CCC2)c2ccccc2)CC1 97034526 PGCJKLKGRJJNQR-KRWDZBQOSA-N 301.434 3.051 0 40 DGAB Fc1cc(Cl)cnc1N[C@@H]1CCO[C@]2(CCSC2)C1 95426381 IHXAZRZIDABUGC-ZWNOBZJWSA-N 302.802 3.341 0 40 DGAB O=C(/C=C/c1ccncc1)N1CCC([C@H](O)c2ccccc2)CC1 72277107 PPVHROPUCLAWFI-ROUKRRSUSA-N 322.408 3.067 0 40 DGAB COc1cc(F)c(C(=O)NC2[C@@H](C)CCC[C@@H]2C)cc1OC 95965874 FYZUSSLWIFNHJJ-QWRGUYRKSA-N 309.381 3.397 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@@H](c1nccs1)C1CC1 89885318 QYDSSBDTPCUPBF-SECBINFHSA-N 321.431 3.145 0 40 DGAB O=c1cc(N2CCN(Cc3ccccc3)CC2)c2ccccc2o1 68706602 UKVMESBBBCLWBV-UHFFFAOYSA-N 320.392 3.115 0 40 DGAB COc1cccc(NC(=S)NC[C@H](C)N2CCCC[C@H]2C)c1 36847533 GNPPSBHLDDRRRQ-KGLIPLIRSA-N 321.490 3.245 0 40 DGAB CCc1ccc(N[C@@H]2NC(=O)/C(=C/c3ccco3)S2)cc1 408769674 YYQUJWIAWMTUDP-SCOADAFUSA-N 300.383 3.442 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1ccccn1 32405130 CLWBSYBQCIMVMQ-NSHDSACASA-N 310.806 3.083 0 40 DGAB O=C(CSc1ccc(F)cc1)NC[C@H]1Cc2ccccc2O1 33112432 WVHMQNSWGCXNKR-CQSZACIVSA-N 317.385 3.038 0 40 DGAB Cc1noc([C@@H]2COCCN2Cc2c(C)oc3ccccc23)n1 188467471 SYGCVQIMMOVSLP-HNNXBMFYSA-N 313.357 3.006 0 40 DGAB O=C(NCC[C@H](O)c1cccc(Cl)c1)c1cc(C2CC2)on1 225610029 CSVRTTWXRAPERT-AWEZNQCLSA-N 320.776 3.059 0 40 DGAB COc1cccc(NC(=O)CCc2c(OC)cccc2OC)c1 225995288 LFRBWCRIHICABZ-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CCNC(=O)c1cc(N)ccc1Nc1ccc(OC)c(Cl)c1 225482936 QDXHONQQDSUJNZ-UHFFFAOYSA-N 319.792 3.424 0 40 DGAB O=C(c1ccc(F)cc1)C1CCN(C(=O)c2cscn2)CC1 194913149 UTCVYISVEUQOPW-UHFFFAOYSA-N 318.373 3.017 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ncccc2C)cc1 225643466 AVRDLEOJEDNIRM-CQSZACIVSA-N 315.442 3.452 0 40 DGAB O=C(c1ccc(F)cc1)C1CCN(CCN2CCCCC2)CC1 192461171 LNQKWFVMQNQASU-UHFFFAOYSA-N 318.436 3.206 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@H](c1cc(F)ccc1F)C1CC1 96432684 FRSSIJRCTSNOFU-GUYCJALGSA-N 309.356 3.491 0 40 DGAB CCOC[C@@H]1COCCC12CCN(CCc1ccccc1)CC2 96106412 NPIPOAMOFGVQLX-LJQANCHMSA-N 317.473 3.384 0 40 DGAB Cc1ccccc1CSCC(=O)NCCOc1ccccc1 98077545 MYCIVJHPOJECFN-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB Cc1cccc(O[C@@H](C)CNC(=O)N[C@H](C)c2nccs2)c1 96439973 JDSLUIYTBYIGKW-QWHCGFSZSA-N 319.430 3.279 0 40 DGAB COc1cccc2cc([C@H](C)NCC3(OC)CCOCC3)oc12 96493465 OUIYGOZPVVFQOR-ZDUSSCGKSA-N 319.401 3.288 0 40 DGAB C[C@H]1c2ccc(F)cc2CCN1C(=O)c1occ2c1CCOC2 585081849 LRFLRDYAXLBFNG-NSHDSACASA-N 315.344 3.251 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1ccncn1)CCCC2 257213254 CGUOIKDDXMOADZ-HNNXBMFYSA-N 311.385 3.234 0 40 DGAB C=CC(=O)N[C@@H](C(C)C)[C@@H](O)c1cccc(C(F)(F)F)c1 585124850 VVVSAHPYHKXFAE-KBPBESRZSA-N 301.308 3.066 0 40 DGAB CC[C@H](c1nc(-c2cccc(Cl)c2)no1)N1CCCC1=O 585133271 CWERQBWYSCWSDU-GFCCVEGCSA-N 305.765 3.464 0 40 DGAB CS[C@@H]1CC[C@H](N[C@H](C)CC(=O)N(C)c2ccccc2)C1 253371017 ZMYPPYZYMBRJPI-IJEWVQPXSA-N 306.475 3.302 0 40 DGAB CSc1ccc(C)c(NC(=O)NCCCn2ccnc2)c1 272061684 IALCPTCIMSNZRT-UHFFFAOYSA-N 304.419 3.125 0 40 DGAB CC(C)CCOC1CCN(C(=O)c2cnc(C3CC3)nc2)CC1 294622357 WMGXLPFNJMIMBH-UHFFFAOYSA-N 317.433 3.021 0 40 DGAB Cc1ccccc1NC(=O)Nc1cnn(C[C@H]2CCCCO2)c1 390826863 CJFYWONPGOJZGX-OAHLLOKOSA-N 314.389 3.405 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 72273796 GSVSBWSAVIXYDT-CQSZACIVSA-N 316.430 3.419 0 40 DGAB COc1ccc(CNC(=O)Nc2cc(Cl)ccc2C)cn1 43357224 OSJLTSTXUITETG-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB CCCCn1nc(-c2ccc(Cl)cc2)cc(C(=O)O)c1=O 82462566 XSRQJPKQBZRUSU-UHFFFAOYSA-N 306.749 3.062 0 40 DGAB CC(=O)N1CC[C@H](NCc2cc3cc(C)ccc3o2)[C@H](C)C1 89657577 LKLWLNLTMKPMEO-DYVFJYSZSA-N 300.402 3.088 0 40 DGAB COc1ccc(CCNC(=O)CCc2ccccn2)c(Cl)c1 95415559 VWCKAQFPURUESQ-UHFFFAOYSA-N 318.804 3.035 0 40 DGAB Cn1c(SCc2nc3ccccc3[nH]2)nnc1-c1ccco1 527631 QBYNTMPMSVCRDU-UHFFFAOYSA-N 311.370 3.244 0 40 DGAB C=Cn1ncc(CN(Cc2ccc(C)o2)C[C@H]2CCCO2)c1C 12187461 LSHVOHKARSHHTK-QGZVFWFLSA-N 315.417 3.375 0 40 DGAB CSc1ncc(C(=O)N(C)Cc2cccc3ncccc23)cn1 12325646 JHZZQFCVRPMZHC-UHFFFAOYSA-N 324.409 3.019 0 40 DGAB Cc1ccc(SCC(=O)NCCCN2CCC(C)CC2)cc1 13671019 ZOAQCHZYFNSMPJ-UHFFFAOYSA-N 320.502 3.325 0 40 DGAB O=C1CCC[C@]2(CN(Cc3ccccc3)C[C@H]2c2ccccc2)N1 19372604 MXSHUMGOBGXCRM-PZJWPPBQSA-N 320.436 3.325 0 40 DGAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)C3CC3)cc21 8959666 QFZVZJLBQBEYAG-UHFFFAOYSA-N 316.401 3.197 0 40 DGAB Cn1nccc1-c1ccc(CCNC(=O)[C@H]2CC=CCC2)cc1 1889128311 LZFIZCIONPLGTF-KRWDZBQOSA-N 309.413 3.102 0 40 DGAB CC(C)C(=O)OCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 21330578 YXVPXUBATOOJSX-UHFFFAOYSA-N 321.707 3.079 0 40 DGAB Cc1nc(C2CCN(Cc3ccccn3)CC2)cn2cccc12 2037838700 WYCWYGXPAQVIGX-UHFFFAOYSA-N 306.413 3.417 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)COc3ccccc3)cc2)o1 12443865 NNWHOTYKUHUCMI-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(NCCc1ccsc1)c1ccccc1Br 13698249 QSASJCRMUGQQRW-UHFFFAOYSA-N 310.216 3.483 0 40 DGAB CC(/C=C1\SC(=O)N(CCC(=O)O)C1=O)=C\c1ccccc1 5164700 OMMDOWQBLAXFBP-QXGKOBNPSA-N 317.366 3.144 0 40 DGAB CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1cc(C)cc(C)c1 26563269 TZTAVIMXABOWDC-LDADJPATSA-N 308.381 3.419 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@@H](c1ccccc1)N1CCCC1 40013506 IIMQIXYBBCITAX-ZGKFYVQTSA-N 310.397 3.246 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nncs3)s2)o1 31273044 KBAIQCPKTWKZIO-UHFFFAOYSA-N 306.372 3.124 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c(C)c1 40525365 XKIQKHLREHIMLT-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB O=C(Nn1cnc2ccccc21)[C@H]1CCC[C@@H](C(F)(F)F)C1 40553359 PJTWZGHIZLOKHT-WDEREUQCSA-N 311.307 3.475 0 40 DGAB Cc1ccc(NC(=O)NCC[C@@H]2C(=O)Nc3ccccc32)cc1 100941908 YVWJSYKZTAQSKO-HNNXBMFYSA-N 309.369 3.243 0 40 DGAB CN(CCCc1nc2ccccc2[nH]1)C(=O)C1[C@@H]2CCCC[C@@H]12 101401756 UZNNNMOGWXRGAR-ZIAGYGMSSA-N 311.429 3.390 0 40 DGAB CCC(=O)Nc1nnc(-c2ccc(Br)cc2)s1 311355 TVHCFJMVDPHKMQ-UHFFFAOYSA-N 312.192 3.316 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)s1 32768765 SOZRKVFNELJZIX-VIFPVBQESA-N 313.382 3.318 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCCc1nc2ccccc2[nH]1 21528459 FVESJHFFSKQOGF-AWEZNQCLSA-N 323.396 3.079 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCC[C@H](OCC(F)(F)F)C1 32818386 QPULVRIBNTUDFQ-QWRGUYRKSA-N 305.296 3.208 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 50536 FWKSVBIDJAPAJH-RDJZCZTQSA-N 322.408 3.225 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccc(Cl)cc1 1353421 XDTAZCPDVZJLOW-UHFFFAOYSA-N 315.760 3.336 0 40 DGAB CCN(CC)C(=S)SCc1ccccc1OC(=O)NC 1592227 BOGZMIUCVNLSEU-UHFFFAOYSA-N 312.460 3.265 0 40 DGAB O=C(c1csc(-c2cccs2)n1)N1CCO[C@@H]2CCC[C@H]21 53379654 FKJOAPDPLITQLG-VXGBXAGGSA-N 320.439 3.265 0 40 DGAB O=C(Nc1nc2ncccc2[nH]1)[C@H]1C[C@H]1c1ccc(Cl)cc1 79112707 LICWBOZRQWUUJK-RYUDHWBXSA-N 312.760 3.354 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCO[C@@H](c2ccccc2)C1 22329690 DGOAVTIYMQGBDB-MRXNPFEDSA-N 303.308 3.179 0 40 DGAB C[C@H](OC(=O)CCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 4250104 KTMQFEXZNPLSNX-ZDUSSCGKSA-N 322.364 3.160 0 40 DGAB CCc1nc2ccc(C(=O)NCC(F)(F)F)cc2nc1CC 22993532 IOOVWAQGOASQHL-UHFFFAOYSA-N 311.307 3.047 0 40 DGAB CCOc1ncccc1CNC(=O)Cn1c(C)cc2ccccc21 23101924 MHDQNVZJCDMEMY-UHFFFAOYSA-N 323.396 3.060 0 40 DGAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccccc2)c1 8868560 PTKOKDDLABSAHA-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 54634502 UUWMHEHPBUPKAP-MLGOLLRUSA-N 308.385 3.475 0 40 DGAB O=C(OCc1ccccc1)c1ccc(OC[C@@H]2CCNC2)cc1 42773692 SUUGIYQSDRVLQW-MRXNPFEDSA-N 311.381 3.032 0 40 DGAB O=C(NCCCn1ccnc1)Nc1cccc(Cl)c1Cl 43264287 PFYJIQQPUVXFGE-UHFFFAOYSA-N 313.188 3.402 0 40 DGAB O=C(Nc1cccn2ncnc12)c1cccc(C(F)(F)F)c1 1387945 KDRIIIKIBMSCMM-UHFFFAOYSA-N 306.247 3.000 0 40 DGAB O=S(=O)(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccs1 25375040 VPDWHHKLOGXZSC-RKDXNWHRSA-N 313.366 3.148 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)Nc3cnn(C)c3)sc2n1 25307852 JVQOZQXRIRZHCN-UHFFFAOYSA-N 300.387 3.207 0 40 DGAB COCCCN(Cc1ccccn1)Cc1cc(F)ccc1F 57797240 RVPHKLBULWVUOT-UHFFFAOYSA-N 306.356 3.399 0 40 DGAB O=C(NCCc1ccsc1)[C@@H]1CCCN1Cc1ccccc1 57156071 BZJVITYZDUFJII-KRWDZBQOSA-N 314.454 3.071 0 40 DGAB CCOC(=O)[C@H]1CCCN(Cn2c(=S)oc3ccccc32)C1 3244592 DMEXGKUYFNFLMR-LBPRGKRZSA-N 320.414 3.196 0 40 DGAB COCCCCN(C)[C@@H](c1ccc(F)cc1)c1ncccn1 71910672 CHCGBRVZCYZKNZ-INIZCTEOSA-N 303.381 3.064 0 40 DGAB C/C=C/C=C/C(=O)NCc1cccc(Cn2nc(C)cc2C)c1 58226511 MQOOSANGYHVEJX-UMCKCUICSA-N 309.413 3.297 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@H](c1ccccc1)c1ccco1)CN2 58331369 PNFSYFXDZPHHJL-DNVCBOLYSA-N 322.412 3.205 0 40 DGAB CC[C@@H](OC)C(=O)Nc1ccc(-c2cn3c(n2)CCCC3)cc1 58429778 XARMYGRTDXFMBH-MRXNPFEDSA-N 313.401 3.250 0 40 DGAB c1ccc(-c2noc(COc3ccc(-c4nnco4)cc3)n2)cc1 12789275 WVLLDPPDUXMFNG-UHFFFAOYSA-N 320.308 3.366 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)Cc2ccc(F)cc2)c1 10110841 MEMJFCYCPPYESQ-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB CCc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1OC 10434256 AZCSYUYNCNVJFQ-UHFFFAOYSA-N 317.410 3.009 0 40 DGAB COc1ccc(C)cc1N[C@@H](C)C(=O)Nc1ccc(Cl)cn1 28805261 HLQAOADRRDOBQZ-NSHDSACASA-N 319.792 3.491 0 40 DGAB COc1ccc(C(=O)CCCC2OCC(C)(C)CO2)cc1OC 2518121 WZWXNAFIQKPIOO-UHFFFAOYSA-N 322.401 3.456 0 40 DGAB CCc1noc(C)c1C(=O)OCc1cn2cc(Cl)ccc2n1 12804837 WZELXLZBXGFEEW-UHFFFAOYSA-N 319.748 3.204 0 40 DGAB Cc1ccc2c(c1)C(=O)C(=O)N2CCCOc1ccccc1C 3647785 YNNVFSKNTUAOSB-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB CC[C@H](C(=O)Nc1cc(C)on1)N(C)Cc1ccc(C)cc1 8937924 DMJGWYFBPBNUAN-OAHLLOKOSA-N 301.390 3.141 0 40 DGAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)/C=C/c1ccco1 408714258 MKDJHKADOSMHHX-MDZDMXLPSA-N 309.325 3.001 0 40 DGAB Cc1cc(CN(C)CCC2CCN(c3ccncc3)CC2)no1 92821443 KHARHGKUSHEWIO-UHFFFAOYSA-N 314.433 3.117 0 40 DGAB C[C@@]12CCC[C@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@@H]32 4114564 JPYUXOAHWUWNMR-MURWCNHISA-N 324.207 3.216 0 40 DGAB COc1ccc(CCC(=O)N2CCCCCCC2)cc1OC 49950326 SWLQXYYZTQZFQU-UHFFFAOYSA-N 305.418 3.429 0 40 DGAB CC(=O)N1CCC[C@H](c2nccnc2Oc2ccccc2C)C1 72361705 ARYYEPWFDJRNBB-HNNXBMFYSA-N 311.385 3.303 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCCc1ccc(F)cc1 219484635 BNFXMPVWYTYLHM-CQSZACIVSA-N 301.361 3.342 0 40 DGAB Cc1ccc2c(CC(=O)NCCOc3ccccc3)coc2c1 14094368 WQPQCRHNTMKBEL-UHFFFAOYSA-N 309.365 3.479 0 40 DGAB Cc1cccc2nc(C(=O)Nc3nc4c(s3)CCCC4)cn12 14085420 QAIRSQPRUNGHKV-UHFFFAOYSA-N 312.398 3.230 0 40 DGAB O=c1c2ccccc2nc(CN2CCCCC2)n1Cc1ccco1 14121839 PNSNQGNIWYLQGJ-UHFFFAOYSA-N 323.396 3.024 0 40 DGAB Cn1ncc2c(NCCOc3ccc4ccccc4c3)ncnc21 14274045 IIQKUVNIMKOLQT-UHFFFAOYSA-N 319.368 3.007 0 40 DGAB O=C(NCC(F)F)N[C@@H](CC1CCOCC1)c1ccccc1 96004718 KUBMIUWVNQXPPG-AWEZNQCLSA-N 312.360 3.109 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H]1CN1CCCC1 66944568 GTKRBANDYWXDGP-PKOBYXMFSA-N 312.457 3.193 0 40 DGAB O=C1CN(C(=O)/C=C/c2ccc(Cl)cc2)c2ccccc2N1 5938915 NMAUPIUJTPMSRD-JXMROGBWSA-N 312.756 3.339 0 40 DGAB O=C(c1ccccc1O)N1CCN(c2ccccc2Cl)CC1 9322661 DHLGMVKRWKJPNI-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB Cc1ccc(Nc2nc(N)nc(CSc3ccccn3)n2)cc1 9322105 DZLCTDAIQIKZBA-UHFFFAOYSA-N 324.413 3.193 0 40 DGAB COc1ccc(Cl)cc1Cn1nnc(-c2ccc(F)cc2)n1 7301621 JRRODGJJIBIPAE-UHFFFAOYSA-N 318.739 3.190 0 40 DGAB C[C@@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CC1 7481799 OWFOPDWWNBEVAF-CQSZACIVSA-N 323.392 3.029 0 40 DGAB COc1ccc(Cl)cc1Cn1cnc2sccc2c1=O 7879710 CVKHEUGZVYOGGD-UHFFFAOYSA-N 306.774 3.168 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)C1CC1 68822353 SGFWHWYRLIPYDU-GFCCVEGCSA-N 300.402 3.216 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)on1 8328720 WMLKQXXXVFSLHX-UHFFFAOYSA-N 300.314 3.277 0 40 DGAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 70172476 JNSZDWGUOHDHDI-MWLCHTKSSA-N 301.217 3.193 0 40 DGAB Cc1ccc([C@H]2C[C@@H]2C(=O)Nc2cccc(C(N)=O)c2C)s1 69455449 OGILUGFTWKJCHN-STQMWFEESA-N 314.410 3.206 0 40 DGAB CC(C)NC(=O)CSCc1ccc(OC(F)(F)F)cc1 69520050 JUTGORXSKXPJJS-UHFFFAOYSA-N 307.337 3.343 0 40 DGAB Clc1ccc(C2(NC[C@@H]3CNc4ccnn4C3)CCC2)cc1 69582964 WQOAXHKGMILGBO-ZDUSSCGKSA-N 316.836 3.247 0 40 DGAB O=C(CCn1ccnn1)Nc1ccc(NC2CCCCC2)cc1 71896110 GHIASDVFAAYILW-UHFFFAOYSA-N 313.405 3.052 0 40 DGAB O=C(CCc1ccccc1F)N1CCCC[C@H]1Cn1cccn1 71865026 UODSRBSLTUAYQH-INIZCTEOSA-N 315.392 3.036 0 40 DGAB Cc1sc(NC(=O)[C@H]2C[C@H]2C)c(C(N)=O)c1-c1ccccc1 71854155 CGPTXGFUHMOBIG-SKDRFNHKSA-N 314.410 3.417 0 40 DGAB COC(=O)[C@@H](NC(=O)c1cc(C)c(C)s1)c1ccc(C)cc1 97010767 MJVPGSYINGPPKM-HNNXBMFYSA-N 317.410 3.317 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](CCC(=O)O)C2)c(C)n1C(C)C 97045140 RHTKUKYBWFVCIO-HNNXBMFYSA-N 320.433 3.403 0 40 DGAB Cc1ccc(F)cc1C(=O)Nc1ccc(CCC(=O)O)cc1 97018953 NBTCRDOKUKHDJF-UHFFFAOYSA-N 301.317 3.404 0 40 DGAB C[C@@H](OC(=O)c1ccn2cncc2c1)c1nc2ccccc2o1 97081458 UZCDDYBQGMYAFX-LLVKDONJSA-N 307.309 3.394 0 40 DGAB Cc1ccc2nc(C3CC3)cc(C(=O)N(C)C[C@@H](O)C3CC3)c2c1 87558591 DYSSKZFDOHZVEH-LJQANCHMSA-N 324.424 3.264 0 40 DGAB CCc1nc(CN2CCC(Nc3ccccc3C)CC2)no1 95395038 XAPGPEVWCLVUFA-UHFFFAOYSA-N 300.406 3.017 0 40 DGAB O=C(NCc1cscn1)N(Cc1ccccc1)CC(F)F 95413428 FLFOBNPTFBEVJX-UHFFFAOYSA-N 311.357 3.120 0 40 DGAB CC(C)CSC[C@@H](C)N[C@H](CO)Cc1c[nH]c2ccccc12 95968083 XPVHXHBCNCXZJV-ZBFHGGJFSA-N 320.502 3.439 0 40 DGAB COCc1ccc(CNc2cccc(C[S@](C)=O)c2)cc1 89420338 DQWGYIYHZJCAQA-OAQYLSRUSA-N 303.427 3.324 0 40 DGAB Nc1nc(Cl)cc(N[C@@H]2CCCC[C@H]2OC2CCCC2)n1 89646477 QKTCFIWBRAFGFE-VXGBXAGGSA-N 310.829 3.395 0 40 DGAB COc1ccc(CNC(=O)c2c(F)cccc2Cl)cc1OC 21307451 SFYCEBAAPUIVOI-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB COc1ccc(C2=NO[C@H](C(=O)Nc3c(C)cccc3C)C2)cc1 36615404 XMZPMXVVJPXJHP-KRWDZBQOSA-N 324.380 3.444 0 40 DGAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(Cc2c(C)oc3ccccc23)C1 1553716324 YOTJFXYTFSUFCT-CZUORRHYSA-N 311.385 3.426 0 40 DGAB COc1ccc2c(c1)C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 6378771 GXFOBPWUVXXUIF-OAHLLOKOSA-N 309.365 3.176 0 40 DGAB biogenic COc1ccccc1O[C@@H](C)C(=O)NCCCc1ccccc1 219496122 AXYPYRSFQLKXEF-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COc1cccc(CN)c1 36720785 NMDDBQPMGKUFBO-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB Cc1cccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)c1C 72427561 IISVJLXDWBRDAR-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB CO[C@@H](C)c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 72943769 BVAJHDVERIJTCR-JTQLQIEISA-N 324.331 3.500 0 40 DGAB Cc1ccc2nncc(SCC(=O)NCc3ccccc3)c2c1 46087743 DVSDUZNLNRUCPS-UHFFFAOYSA-N 323.421 3.347 0 40 DGAB COc1ccc(F)cc1S(=O)(=O)N(C)c1ccc(C)c(C)c1 223024245 WCTQUUWBLGZVON-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB COc1ccc(C[C@@H](Sc2ccccc2)C(=O)O)c(OC)c1 225113413 DCXWBTLXQAYCPQ-MRXNPFEDSA-N 318.394 3.492 0 40 DGAB CC[C@@](C)(OC)c1noc(Cc2ccc3c(c2)CCCO3)n1 579712014 LWFIYAWJMZKWJB-QGZVFWFLSA-N 302.374 3.257 0 40 DGAB CCO[C@@H]1C[C@H](N(C)Cc2noc(C3CC3)n2)C12CCCC2 96419739 QNDFOCDUQMGECJ-UONOGXRCSA-N 305.422 3.117 0 40 DGAB Cc1cc(C)n(C[C@H](C)CN[C@@H](C)c2cnn(C(C)C)c2)n1 96476626 RWMXGOZQJTUSCI-CJNGLKHVSA-N 303.454 3.264 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)Cc3ccc(C)s3)C2)n1 257219834 DIITWWXBAABEHA-CQSZACIVSA-N 315.442 3.022 0 40 DGAB C[C@@H](COc1ccccc1C(F)(F)F)NC(=O)c1ccoc1 55634373 KGNFCSKIFRVLQQ-JTQLQIEISA-N 313.275 3.496 0 40 DGAB COc1cc(OC)c(NC(=O)N2C[C@@H]3CCC[C@@H]32)cc1Cl 76089449 YBQRLYXBKCVWDY-CABZTGNLSA-N 310.781 3.373 0 40 DGAB Cc1[nH]c2ncnc(NC(=O)C3CCC(F)(F)CC3)c2c1C 97084587 HQKCJRBNJPDIGH-UHFFFAOYSA-N 308.332 3.339 0 40 DGAB Cc1c(Br)cccc1CSCCS(C)(=O)=O 96485574 NMVPXEBPOSILSG-UHFFFAOYSA-N 323.277 3.035 0 40 DGAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccccc4F)cc1c32 5153658 SFPKBAJTXSWTJP-NSHDSACASA-N 324.355 3.474 0 40 DGAB CCc1c(C)sc(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)c1C(N)=O 5477128 DCHRNKYJQVKAOZ-HOSYDEDBSA-N 306.431 3.093 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2cccnc2Cl)cc1C 16780751 BFTDPZFBYJYJJZ-UHFFFAOYSA-N 310.806 3.461 0 40 DGAB CCOC(=O)c1cc(-c2c(F)cccc2Br)on1 260156538 IUUAVVPGWXJKBW-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB Cc1cccc(O[C@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n1 238881451 PJDRSLVCYXQYHO-HNNXBMFYSA-N 315.348 3.214 0 40 DGAB O=C(/C=C/c1cccs1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565520014 YYZSNESZZQUVRA-BEVHLOIGSA-N 313.426 3.353 0 40 DGAB CSc1nc2ccc(NC(=O)c3ccn(C)n3)cc2s1 12444353 IUNZBMYZJLBFLQ-UHFFFAOYSA-N 304.400 3.004 0 40 DGAB COC(=O)Nc1ccc2c(c1)CCCN2C(=O)c1ccccc1 13958821 YDJQWGRWSNCLOY-UHFFFAOYSA-N 310.353 3.458 0 40 DGAB O=C(NCC[C@@H](O)C1CC1)C1c2ccccc2Oc2ccccc21 77107807 LDQVMCSLZDAJGZ-MRXNPFEDSA-N 323.392 3.201 0 40 DGAB O=C(NCCSC1CCCC1)c1cc2ccccc2oc1=O 40082568 DGTIQPVDRUSBRF-UHFFFAOYSA-N 317.410 3.199 0 40 DGAB CCOc1ncccc1CNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C 31325383 DTMBXSZRNQNPJF-LSDHHAIUSA-N 302.418 3.335 0 40 DGAB O=C(CSCc1ccco1)N1CCC(c2ccccc2)=N1 40456893 BKGJAYFGHTUATL-UHFFFAOYSA-N 300.383 3.149 0 40 DGAB C[C@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1nc2ccccc2o1 40497995 NHQBTAPNAITEKI-JSGCOSHPSA-N 321.380 3.196 0 40 DGAB O=C(NC1CC1)c1ccccc1-c1ccc(Cn2cccn2)cc1 32906310 CXBDGAPGGBKDJU-UHFFFAOYSA-N 317.392 3.491 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1nnc(C(C)C)s1 142016 DPJUTJYXIQMZOW-UHFFFAOYSA-N 321.402 3.078 0 40 DGAB CC(C)[C@](O)(C(=O)O/C=C1/CC2CCN1CC2)c1ccccc1 1641848 QFEXWEJQBDXMOT-BLMOFCDVSA-N 315.413 3.031 0 40 DGAB Cc1cc(C(=O)CSc2nnc(-c3ccco3)o2)c(C)n1C 2622671 KTZFYNJPCMILHW-UHFFFAOYSA-N 317.370 3.260 0 40 DGAB Cc1cc2oc(=O)cc(COC(=O)c3cccn3C)c2cc1C 2642992 QABPQLKNGOTINH-UHFFFAOYSA-N 311.337 3.105 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2C)nc1C 2653649 NPMHLWQOHRGVQF-UHFFFAOYSA-N 318.398 3.497 0 40 DGAB CCCCOC(=O)c1ccc(Nc2ncnc3[nH]cnc23)cc1 2719602 FBUAXCTURSXZIJ-UHFFFAOYSA-N 311.345 3.053 0 40 DGAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(F)cc1 2795657 CDHOZLCDFPIQPY-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB COc1cc(C[S@](=O)c2ccccc2)nc(-c2ccccc2)n1 3104602 ABUSNSZDFCQMKW-HSZRJFAPSA-N 324.405 3.460 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)c1 3402404 VFJNYAWYQPZALM-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB C[C@H]1CN(C(=O)COc2ccc(Cl)cc2Cl)C[C@H](C)O1 4559978 MAWDDNADOXFBES-UWVGGRQHSA-N 318.200 3.008 0 40 DGAB CN(C(=O)CCn1c(=O)sc2ccccc21)c1ccccc1 5021979 YDXQHKRQOKCTQE-UHFFFAOYSA-N 312.394 3.116 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2c(F)cccc2Cl)cc1 5576670 DBXSLZLMNVUNDU-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C)c(C)c1 6064142 KKWIGTGLIUELOC-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1c(F)cccc1F 6480271 QUZSIHBWCZGWOM-FNORWQNLSA-N 303.264 3.345 0 40 DGAB CCCCN1C(=O)/C(=C\c2ccc(F)cc2)C(C(=O)OC)=C1C 6647101 VGIRMLJOCPIBAE-PTNGSMBKSA-N 317.360 3.298 0 40 DGAB NC(=O)c1ccc(OCc2ccc(Br)cc2)cc1 7509749 PZXLJBQKVMJYNS-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB CCCCN(C(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 8013745 DZJSMUNAMSSKIK-UHFFFAOYSA-N 321.380 3.370 0 40 DGAB COC(=O)c1ccccc1NC(=O)Nc1ccccc1OC 8169356 PNEGKPMQMVJJKZ-UHFFFAOYSA-N 300.314 3.126 0 40 DGAB O=C(NCCc1ccc(F)cc1)[C@@H]1Cc2cc(Cl)ccc2O1 8274934 GYXNZMKMTFKJCS-INIZCTEOSA-N 319.763 3.142 0 40 DGAB O=C(Nc1ccc(F)cc1F)[C@@H]1CC(=O)N(C2CCCCC2)C1 8816439 BBWOLKDDWKZFFG-LLVKDONJSA-N 322.355 3.085 0 40 DGAB CCn1c(NC(=O)c2ccc(OC)cc2O)nc2ccccc21 10651015 VSSBBQUGXMJHNB-UHFFFAOYSA-N 311.341 3.023 0 40 DGAB Cc1nn(Cc2cccc(Br)c2)c(C)c1C(=O)O 11920472 TZIXOYLRTZIKNO-UHFFFAOYSA-N 309.163 3.009 0 40 DGAB in-vitro Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)cc1 12907262 CXCUJWUHTRCELL-AWEZNQCLSA-N 302.443 3.366 0 40 DGAB COC(=O)C1CCN(C(=O)c2cc3cc(F)ccc3s2)CC1 12919490 JGUYALGCJRXJIK-UHFFFAOYSA-N 321.373 3.066 0 40 DGAB CC(C)(O)c1ccc2c(c1)C(=O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)O 13335593 SGCHZBKQDFNHSL-BHIYHBOVSA-N 302.414 3.309 0 40 DGAB biogenic Cc1ccc(CNC(=O)COc2cccc3cccnc23)cc1 14737484 IHFRGFQBKMUNKC-UHFFFAOYSA-N 306.365 3.238 0 40 DGAB Cc1ccc(CN(C)CC(=O)N[C@H](C)c2ccccc2C)o1 15296519 OBVISABWEFEXQJ-OAHLLOKOSA-N 300.402 3.206 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(=O)[nH]c2ccccc12 16022863 ODWBCIPUNDMQTC-LBPRGKRZSA-N 304.349 3.120 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2cccs2)cc1Cl 16780330 YRPKXYDHAVVPDY-UHFFFAOYSA-N 301.820 3.188 0 40 DGAB COc1cccc(-c2cnc(NC(C)C)nc2-c2nccn2C)c1 19450362 DFJBGPLDXRLWSB-UHFFFAOYSA-N 323.400 3.373 0 40 DGAB COc1ccc(CC(=O)Nc2cccc3cnccc23)cc1OC 21217881 UHVUUYOYMDWQFZ-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1 22334844 JXJJIKCPZULWLX-ZDUSSCGKSA-N 305.374 3.463 0 40 DGAB O=C(Nc1ccc(Cl)cc1)[C@H]1CCCN1C(=O)c1ccco1 24831104 NZMOSKUOTUCHCP-CYBMUJFWSA-N 318.760 3.176 0 40 DGAB Cc1ccccc1CNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1 25059635 HDUADKXBURYZEQ-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(NC(=O)CC(C)C)cc2)cn1 25755966 ZANXDXWSPYBCAD-UHFFFAOYSA-N 312.373 3.022 0 40 DGAB C[C@@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccn1 29317291 RRNIITIXNDZENS-GFCCVEGCSA-N 303.793 3.338 0 40 DGAB CC(=O)Nc1cc(N[C@@H](C)C(=O)NC2CCCCC2)ccc1F 30006385 IKFJBZUTBXYCAK-NSHDSACASA-N 321.396 3.033 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1c[nH]c2ccccc2c1=O 32652045 BSSOIWTVBJTZQV-CQSZACIVSA-N 320.392 3.279 0 40 DGAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C 32911640 QOVAFQPEKMVNJS-CYBMUJFWSA-N 312.797 3.358 0 40 DGAB O=C(Nc1ccc(Br)cc1Cl)C1CCNCC1 37392460 IBHRMRAXHFBYBN-UHFFFAOYSA-N 317.614 3.041 0 40 DGAB O=C(Nc1ccc(S(=O)(=O)C2CCCC2)cc1)C1CCC1 40509574 MXXNVHAWSIDJDG-UHFFFAOYSA-N 307.415 3.142 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 44890447 AAHCGHQFFLEBMP-INIZCTEOSA-N 324.384 3.074 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1F 44913226 ZKEPMAPHSNHXLC-QMMMGPOBSA-N 316.760 3.331 0 40 DGAB COc1ccnc(N2CCC(Oc3c(C)cccc3C)CC2)n1 52426259 LWEPEKWEKJPRGX-UHFFFAOYSA-N 313.401 3.150 0 40 DGAB CCCN(C)C(=O)c1ccc(NC(=O)c2cccs2)cc1 58137088 SDZSTHNIMNOPDP-UHFFFAOYSA-N 302.399 3.482 0 40 DGAB O=C(c1cc(F)ccc1F)C1CCN(C(=O)c2ccoc2)CC1 58330221 YFTHKELEYUTRCQ-UHFFFAOYSA-N 319.307 3.293 0 40 DGAB O=C1OCCN1CCCSc1ncc(-c2ccc(F)cc2)[nH]1 58356207 IAJUKWMXYSUKCS-UHFFFAOYSA-N 321.377 3.150 0 40 DGAB CCCn1c(=O)n(C[C@@H](O)c2ccc(F)cc2)c2ccccc21 58647847 IJEVIUQLUYHYAD-QGZVFWFLSA-N 314.360 3.086 0 40 DGAB COc1ccc(CSCC(=O)NCCc2ccccc2)cc1 59503555 NXABEKCHTNEUDJ-UHFFFAOYSA-N 315.438 3.287 0 40 DGAB C[C@@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 65491991 FMPJPBGQYXJZRN-DOMZBBRYSA-N 318.442 3.138 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(Oc3ccccc3)nc2)c(=O)[nH]1 65750806 XZDSADCEVSDQQF-UHFFFAOYSA-N 321.336 3.123 0 40 DGAB O=C(NCc1cccs1)N1CCO[C@@H](c2cccc(F)c2)C1 67036342 YDBHWAXGIZIHEH-OAHLLOKOSA-N 320.389 3.170 0 40 DGAB Cc1cnccc1CN(C)C(=O)c1ccccc1-c1ncc[nH]1 67540377 MSMIYGMVSSTYHA-UHFFFAOYSA-N 306.369 3.052 0 40 DGAB CN(C)C(C)(C)CNCc1ccc(OCc2ccncc2)cc1 71895958 XJJAPWGLNKIPAE-UHFFFAOYSA-N 313.445 3.090 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)c1 72331143 OVWMBRBUKNFIBL-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB COc1ccc(CC(=O)N2CC=C(c3ccc(C)o3)CC2)cc1 72346339 ZALPURLFNGAPCA-UHFFFAOYSA-N 311.381 3.455 0 40 DGAB CC(=O)N1CCC[C@H](c2cncc(Oc3cccc(C)c3)n2)C1 72361755 XNMDHLOIYTUAKV-HNNXBMFYSA-N 311.385 3.303 0 40 DGAB C[C@H]1CCN(CCOc2ccc(NC(=O)N(C)C3CC3)cc2)C1 72565854 HWTJFTKLJFJKNQ-AWEZNQCLSA-N 317.433 3.033 0 40 DGAB Cc1ccc(C(=O)N(Cc2ccccc2)Cc2ccco2)c(=O)[nH]1 75121007 HSJYQOTWNMNNJA-UHFFFAOYSA-N 322.364 3.119 0 40 DGAB CC(C)C[C@@H](CO)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 79025581 WVLGSCGPCWPRTQ-ZDUSSCGKSA-N 317.389 3.234 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@H](C)Cc2ccsc2)n1 81598805 HPUFTOQVBQFOAE-LLVKDONJSA-N 309.460 3.015 0 40 DGAB CN(Cc1cscn1)C(=O)NC[C@H]1CCCc2ccccc21 83867733 JWJBYFRTOYJFHR-CQSZACIVSA-N 315.442 3.405 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1c(F)cccc1Br 84246277 ZPAQZHZAKXUXMI-MRVPVSSYSA-N 302.143 3.096 0 40 DGAB O=C(NCc1nc(C2CC2)no1)[C@@H]1C[C@@H]1c1cccc(Cl)c1 84367578 OXWJRVKYTXICKK-CHWSQXEVSA-N 317.776 3.020 0 40 DGAB COc1cccc([C@@H](C)CC(=O)Nc2nc(C(C)C)nn2C)c1 84542762 LAWZIUQKCCHALQ-LBPRGKRZSA-N 316.405 3.079 0 40 DGAB C[C@@H](NCC1(N2CCCCC2)CCOCC1)c1cccs1 89594978 MHGYTMOEKBBKEB-OAHLLOKOSA-N 308.491 3.434 0 40 DGAB Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccc(Cl)cc3)C2)n[nH]1 89599023 YICHVJOOWCYNCY-PBHICJAKSA-N 319.836 3.285 0 40 DGAB CSc1ccc(NC(=O)N[C@@H](C)C2CCOCC2)cc1F 89894394 QYHBCMYBZSBNGW-JTQLQIEISA-N 312.410 3.484 0 40 DGAB C[C@H](NC(=O)[C@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 89905064 WSOBWNKYEJGMLB-UGSOOPFHSA-N 300.446 3.083 0 40 DGAB NC(=O)C[C@@H]1CCCN(Cc2cccc(Cl)c2Cl)C1 93809279 ALFXLXPFZUGDSF-JTQLQIEISA-N 301.217 3.081 0 40 DGAB C[C@@H](Sc1nc2ccccc2s1)C(=O)NCc1ccon1 95447221 OFZNGSBLSORNSZ-SECBINFHSA-N 319.411 3.081 0 40 DGAB OCCCNc1ccc2cc(Br)cc(Cl)c2n1 95463604 FBKBGAMXLOZWNT-UHFFFAOYSA-N 315.598 3.445 0 40 DGAB CCOc1ccc(NC(=O)c2oc(CC)cc2C)cc1CO 95977738 RIKICZXIZVLLGV-UHFFFAOYSA-N 303.358 3.294 0 40 DGAB CCS[C@@H]1CC[C@@H](NC2CCN(c3nccs3)CC2)C1 95990244 AGGIHLVDXLJDQP-ZIAGYGMSSA-N 311.520 3.376 0 40 DGAB CCn1ncc2c1[C@@H](COC)CN(Cc1ccc(C)s1)C2 96060144 AACOZNLGTKTMSF-CQSZACIVSA-N 305.447 3.019 0 40 DGAB O=C(NCCn1ccc(-c2cccs2)n1)c1cccs1 96103802 MJWQFXTZDFIDJQ-UHFFFAOYSA-N 303.412 3.103 0 40 DGAB CC(C)CN1CCc2c(CN(C)Cc3ccco3)cncc2C1 96189519 CGYNZIZOMWYCSI-UHFFFAOYSA-N 313.445 3.321 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F 96407830 RJBGZUYTLZNZGR-UONOGXRCSA-N 317.335 3.433 0 40 DGAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@@H](C)Cc2ccccc2F)n1 96414300 ULIWCDXARKLOOA-JSGCOSHPSA-N 317.408 3.023 0 40 DGAB CC(=O)Nc1cccc(CN(Cc2ccccc2)C[C@@H](C)O)c1 96421175 BKFJOSYKJRNKPI-OAHLLOKOSA-N 312.413 3.028 0 40 DGAB CCOc1ccccc1CNC(=O)c1cc(-c2ccccn2)no1 96427159 PAZJWNUMZAVHFS-UHFFFAOYSA-N 323.352 3.065 0 40 DGAB C[C@@H](CNC(=O)N[C@@H](C)c1nccs1)Oc1ccccc1F 96439957 WXOWDFIZQJMHHF-QWRGUYRKSA-N 323.393 3.110 0 40 DGAB Cn1cc(NC(=O)N(Cc2ccccc2F)C2CCC2)cn1 96466834 RPEQHWRXONRCNC-UHFFFAOYSA-N 302.353 3.146 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NCC[S@@](=O)C(C)(C)C 96477873 FKYSUXFBXZWCKH-GTJPDFRWSA-N 324.515 3.364 0 40 DGAB CCc1nnc(CN[C@@H](c2c(F)cccc2F)C(F)(F)F)o1 97056219 OAIAAYUNOIHHSV-LBPRGKRZSA-N 321.249 3.303 0 40 DGAB O=c1[nH]c2ccccc2nc1CN1CCC[C@H]1c1cccs1 97139476 INLNDRBFKOYQCK-HNNXBMFYSA-N 311.410 3.322 0 40 DGAB O=C(Cc1cccnc1)NCC1(c2ccc(F)cc2Cl)CC1 97230415 KMMIICVPJCOIDS-UHFFFAOYSA-N 318.779 3.265 0 40 DGAB CCc1nc([C@@H](C)NC(=O)Nc2nc(C)ccc2OC)cs1 97378665 BSDLPDZVKUXIAU-SNVBAGLBSA-N 320.418 3.300 0 40 DGAB Cc1ccnc(N/C=C2\N=C(c3ccc(Cl)cc3)OC2=O)c1 100132566 UWSWFJYDFCUTKW-LCYFTJDESA-N 313.744 3.300 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H]1CCCN1c1ccccc1 211115543 YIURWRSNFAVMNJ-KQDNUWKFSA-N 306.409 3.485 0 40 DGAB C[C@H](N)c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn12 217554544 UDGFLLCZFMAUOF-ZETCQYMHSA-N 308.172 3.118 0 40 DGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccncc1 223939428 INKGRDZEKYDTJM-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB CCNC(=O)C1(Cc2ccc(-c3ccncc3)cc2)CCOCC1 257310256 UEKCLXKRBVXUOL-UHFFFAOYSA-N 324.424 3.224 0 40 DGAB Cc1ccc2[nH]c(C(=O)NC[C@@H](C(=O)O)c3ccccc3)cc2c1 531753019 ILPICUSMFLVGIW-OAHLLOKOSA-N 322.364 3.075 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@]2(C)CO)cc1-c1ncco1 546144937 NXMPLRDKVRCZDX-QGZVFWFLSA-N 315.373 3.029 0 40 DGAB CC(C)c1ccccc1NC(=O)[C@@H](C)S(=O)(=O)C1CCC1 568031827 PVYRXNASOHYBAW-GFCCVEGCSA-N 309.431 3.104 0 40 DGAB Cc1ccc2ncc(CN3CC[C@@H](c4nccn4C)C3)cc2c1 568164830 BEFLFSFJSFRSTR-MRXNPFEDSA-N 306.413 3.266 0 40 DGAB COc1cc2c(cc1F)CC[C@H]2NC(=O)c1cc(C)c(C)o1 577161790 WBRJOKBYPGSEMF-CQSZACIVSA-N 303.333 3.461 0 40 DGAB C=CC(=O)N(C)Cc1cc(C)c(OCC(F)(F)F)c(C)c1 585086806 JSCKBCPEADAHBS-UHFFFAOYSA-N 301.308 3.389 0 40 DGAB C[C@@H]1C[C@@H](C(=O)NCc2cn(C3CCC3)nn2)CC(C)(C)C1 585130182 KCKIZDQOLLROPX-CHWSQXEVSA-N 304.438 3.082 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)C1CCC1 1888914149 YKUVWJSJFYDXKU-HNNXBMFYSA-N 301.411 3.365 0 40 DGAB C[C@H](NC(=O)N(C)[C@H](C)CO)c1cc(F)c(Cl)cc1Cl 97230484 CTTSBAZLRLAUKQ-SFYZADRCSA-N 323.195 3.216 0 40 DGAB O[C@@]1(c2cccs2)C[N+]2=C(CCCCC2)N1c1ccccc1 407651 ZHSUDMIUUHCBQX-GOSISDBHSA-N 313.446 3.398 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3cccc(C)c3)oc2c1 558469 VMNOLSNSQWUTIG-UHFFFAOYSA-N 309.325 3.347 0 40 DGAB CCCN1CCCN(C(=O)c2cc(C)nc3ccccc23)CC1 78394543 FYAKVZXUTDAOTO-UHFFFAOYSA-N 311.429 3.101 0 40 DGAB COc1cccc(NC(=O)CCc2ccc(OC)c(OC)c2)c1 3607563 DOBWPUNFEHBOQN-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB O=C(/C=C/c1ccccc1)OCCOC(=O)/C=C/c1ccccc1 3851742 RWPXPQGCHDQBSO-PHEQNACWSA-N 322.360 3.500 0 40 DGAB CCC(C)(C)n1nnnc1[C@@H](c1ccc(C)cc1)N1CCCC1 4230562 UXPRYNIABLNBBJ-MRXNPFEDSA-N 313.449 3.312 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3C[C@@](C)(O)[C@H](O)[C@@]3(C)CC[C@@H]21 4429080 OOVXZFCPCSVSEM-YDRVBMSGSA-N 316.441 3.273 0 40 DGAB CC[C@@H]1CN2CC[C@@]34c5ccccc5N5C(=O)CC=C([C@H]1C[C@H]23)[C@H]54 4568911 GWARICYURZSFAG-GILOPPEBSA-N 320.436 3.104 0 40 DGAB CCCCCCC(=O)N1CCN(Cc2ccccc2)CCC1=O 57773342 VBUKZPGXJGYKNR-UHFFFAOYSA-N 316.445 3.218 0 40 DGAB NC(=O)[C@H](c1ccsc1)c1ncc(C(F)(F)F)cc1Cl 3133897 AVBJLUPAAYMMGZ-SECBINFHSA-N 320.723 3.433 0 40 DGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CC1 43006775 ZSEHNPIIDQBBAL-UHFFFAOYSA-N 303.280 3.079 0 40 DGAB OC1=C2C(=Nc3ncnn3[C@@H]2c2ccccc2)c2ccccc21 100565105 YQIMAIYGSPDAMO-MRXNPFEDSA-N 300.321 3.285 0 40 DGAB O=C(/C=C/c1ccc(Cl)s1)NCc1ccc2c(c1)OCO2 12617305 FDFBHYICSJXCNK-ZZXKWVIFSA-N 321.785 3.460 0 40 DGAB O=C(C1CCN(Cc2cccc3cccnc23)CC1)N1CCCC1 25437615 OHSIXPVPPSSJMH-UHFFFAOYSA-N 323.440 3.069 0 40 DGAB CCc1nnsc1C(=O)Nc1cccc(-c2cnco2)c1 48205109 XZBFODOJXUXHBL-UHFFFAOYSA-N 300.343 3.008 0 40 DGAB O=C(N1CCC(O)CC1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 110658549 JYWRICWFKAQRII-ABSDTBQOSA-N 313.441 3.019 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@H]2CC[C@H]1COC2 101466936 MQIZBGDUQPIGTB-OALUTQOASA-N 307.393 3.286 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)C1(Cc2ccccc2)CCC1 95411689 RSWNUCFVUHPHAJ-KRWDZBQOSA-N 323.440 3.327 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1cccc(F)c1 3318571 JMAMQBKKOLHUHU-UHFFFAOYSA-N 302.301 3.394 0 40 DGAB CC(C)CN1C[C@@H](C(=O)N2CCC[C@@H]2C2CCCCC2)CC1=O 58181185 QGZBDHSWLNYKAK-DLBZAZTESA-N 320.477 3.062 0 40 DGAB CC(C)[C@H](NC(=O)c1cccnc1)c1nc(-c2ccccc2)no1 58222634 CELQUTBZQSSYJC-HNNXBMFYSA-N 322.368 3.259 0 40 DGAB COc1ccc(CC2CCN(C(=O)c3ccncc3)CC2)cc1 58268504 GFJCQTAEVUUZQR-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 58224909 LEGWRPCSPSMYCJ-HNNXBMFYSA-N 321.380 3.201 0 40 DGAB Cc1nc(CCNC(=O)c2ccc(OCC(C)C)cc2)cs1 27793315 XKRNNWRFYINSCT-UHFFFAOYSA-N 318.442 3.459 0 40 DGAB C[C@@H]1CCc2noc(NC(=O)c3cc(=O)c4ccccc4o3)c2C1 27750446 ZEHWKSYBMBIHRJ-SNVBAGLBSA-N 324.336 3.158 0 40 DGAB C[C@H](NC(=O)N[C@H](c1ccco1)C(C)(C)C)C1CCOCC1 95417173 BPWVGAXZHMEONX-SWLSCSKDSA-N 308.422 3.481 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1cc(F)cc(F)c1 100189409 SKCCEHZOLXVSJB-YOEHRIQHSA-N 301.340 3.325 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 44984855 HDOOWGNPKBUYDV-UHFFFAOYSA-N 314.882 3.325 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)CCc1ccccc1 58315546 NVDRVFHHVYNKQB-CQSZACIVSA-N 307.397 3.159 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2ccc(F)cc2)no1 58343532 MJAFLFZVTLWKLD-UHFFFAOYSA-N 305.353 3.171 0 40 DGAB Cc1ccc(CCC(=O)N2C[C@@H](O)C[C@@H]2C2CCCCC2)o1 95445931 KTDOCLHCUDGTOX-DOTOQJQBSA-N 305.418 3.063 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1 10677161 HWIGBCUWOVECSD-KRWDZBQOSA-N 317.410 3.125 0 40 DGAB Cc1ccc2c(COC(=O)c3c(C)noc3C)cc(=O)oc2c1 3420517 SGYGBNATZSXGQT-UHFFFAOYSA-N 313.309 3.063 0 40 DGAB C[C@H](Sc1ccccc1C(=O)O)C(=O)NCc1cccs1 12978317 XLSMEOORFIJBKG-JTQLQIEISA-N 321.423 3.243 0 40 DGAB CC(C)(C)c1ccc2cc(C(=O)NC[C@H]3CCCO3)[nH]c2c1 29752852 NNJNVCPZKGCIBQ-CQSZACIVSA-N 300.402 3.374 0 40 DGAB Cc1nnc(NC(=O)c2cc(-c3ccc(Cl)cc3)on2)s1 11915754 QQKRVMKDUULNSU-UHFFFAOYSA-N 320.761 3.407 0 40 DGAB COc1cc(S(=O)(=O)NC2CCCCCC2)c(C)cc1C 2697019 JUMSBGMWJWNLGH-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB COc1ccc(OC)c(NC(=O)CCOc2ccccc2C)c1 2629369 ZLOJWIHUJLAHQO-UHFFFAOYSA-N 315.369 3.420 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccncc2)cc1OC 13013084 UBZMSXADYWGSPE-HNNXBMFYSA-N 312.369 3.076 0 40 DGAB O=C1C[C@H](c2noc(-c3ccccc3)n2)CN1c1ccccc1 49060252 GPAQMFWVAYGITB-AWEZNQCLSA-N 305.337 3.257 0 40 DGAB FC(F)(Br)C(F)(F)I 63457953 ZYNPYKGTNSXKPI-UHFFFAOYSA-N 306.822 3.002 0 40 DGAB in-vitro O=C(O)C[C@@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 13427824 MXNJJBNUQMQOQT-MRXNPFEDSA-N 315.344 3.091 0 40 DGAB CCCCCC(=O)Nc1nnc(-c2ccc3c(c2)OCO3)s1 13551974 WYBVHJMVKQPWRG-UHFFFAOYSA-N 319.386 3.453 0 40 DGAB COc1ccc([C@@H]2C=C(c3ccccc3)N=C3NC(C)=NN32)cc1 13570393 KNOJNJQLTNKRAZ-SFHVURJKSA-N 318.380 3.386 0 40 DGAB CC(=O)Nc1ccc(NC(=O)N(C)Cc2ccc(F)cc2)cc1 84796785 OYEKLADWQQMAPL-UHFFFAOYSA-N 315.348 3.448 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)NC2CC2)cc1F 9058007 XQAICZCICXFPFZ-UHFFFAOYSA-N 312.344 3.279 0 40 DGAB C[C@H](O)CN(Cc1nnc(-c2ccccc2)o1)c1ccccc1 65591410 XTQIVNFBOOBASO-AWEZNQCLSA-N 309.369 3.124 0 40 DGAB O=C(Nc1ccccc1)N1CCN(Cc2cccs2)CC1 14123587 QXNXASUVDMAXSE-UHFFFAOYSA-N 301.415 3.098 0 40 DGAB CCOCCCNC(=O)CCSc1ccc(Cl)cc1 4590804 OKUXVPIKKRVYTB-UHFFFAOYSA-N 301.839 3.365 0 40 DGAB O=C(NCCc1csc(-c2cccs2)n1)c1ccco1 6755190 OBAISXCGBDRNOY-UHFFFAOYSA-N 304.396 3.437 0 40 DGAB Cc1nc2ccc(C(=O)OCC(=O)C(C)(C)C)cc2nc1C 6847912 ACNRYNYWOKIOCB-UHFFFAOYSA-N 300.358 3.019 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCCC[C@H]3C)n[nH]2)cc1 6942454 XRFKWSJCKCTHFD-CYBMUJFWSA-N 313.401 3.490 0 40 DGAB Cc1ccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)cc1 67206479 JTFJWTVNOJQYEY-UHFFFAOYSA-N 312.388 3.139 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@H](C)C3)n[nH]2)cc1 15721706 YBXXXJHTGFJJAG-ZDUSSCGKSA-N 313.401 3.348 0 40 DGAB CCN1CCc2nc(NC(=O)c3cccc(Cl)c3)sc2C1 15880157 ZQHNBDAXMQDJKB-UHFFFAOYSA-N 321.833 3.427 0 40 DGAB CC[C@H](C)n1ncc2c(C(=O)Nc3ccncc3)cc(C)nc21 69386093 JBPXDGFKMOMINY-LBPRGKRZSA-N 309.373 3.358 0 40 DGAB COCc1ccc(C(=O)Nc2cc3c(cc2Cl)OCO3)o1 8326735 BTSNDMVDDPIIGC-UHFFFAOYSA-N 309.705 3.060 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1C(N)=O)c1nc(C(C)(C)C)no1 71913928 ZBLMAYKZBGLMSS-QMMMGPOBSA-N 323.780 3.259 0 40 DGAB C[C@H]1SCCN(C(=O)c2csc(-c3ccoc3)n2)[C@@H]1C 71911101 NAVKGFANBGAHIZ-NXEZZACHSA-N 308.428 3.369 0 40 DGAB Cc1ccc(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2)cc1F 97159648 DMWAUTZHHJONIR-ZDUSSCGKSA-N 314.360 3.292 0 40 DGAB COc1cccc(Cl)c1C(=O)NCc1ccc2c(c1)OCO2 97159662 DTRQANBOFUOMOT-UHFFFAOYSA-N 319.744 3.007 0 40 DGAB CCOc1ccc(CNC(=O)c2cn[nH]c2-c2ccccc2)cc1 72328811 YRVCVQQFKOVPOA-UHFFFAOYSA-N 321.380 3.405 0 40 DGAB O=C(CO[C@H]1CCOC1)Nc1ccccc1Nc1ccccc1 95992151 HNUKIXNZCVYFNS-HNNXBMFYSA-N 312.369 3.174 0 40 DGAB C[C@@H](CCCO)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95995577 VPUGUCSEJGHPDY-JSGCOSHPSA-N 316.367 3.035 0 40 DGAB CO[C@@H](C(=O)Nc1cc(CSC)ccn1)c1ccccc1 89407062 BXSGDLQERARBLR-OAHLLOKOSA-N 302.399 3.271 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(F)c1F 89895002 JGENNSBSWOQDGF-NHYWBVRUSA-N 305.324 3.207 0 40 DGAB CCC(=O)Nc1c(C)nn(COc2ccc(F)cc2F)c1C 28228782 DRKPZKAWUADKEC-UHFFFAOYSA-N 309.316 3.163 0 40 DGAB CC(=O)c1cc(C(=O)N2C[C@@H](C)Sc3ccccc32)n(C)c1 89941244 SKRUQRNMNNDQHE-LLVKDONJSA-N 314.410 3.369 0 40 DGAB C[C@H](N[C@@H](C)c1ccco1)c1ccc(S(C)(=O)=O)c(F)c1 89904724 UDPPVIJMRGHBTF-QWRGUYRKSA-N 311.378 3.234 0 40 DGAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118933293 GKKUXCSIYRLCSI-WMWOVULTSA-N 320.473 3.032 0 40 DGAB COc1cc(N)ccc1NC(=O)c1cccc(OC(C)C)c1 66141445 ZSVQFPOBOBCLBX-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB Cc1cccnc1NC(=O)NC(C)(C(F)(F)F)C(F)(F)F 198263 PRWSJRJLQOBVQE-UHFFFAOYSA-N 315.217 3.395 0 40 DGAB biogenic CC(C)(C)OC(=O)N[C@]1(C(=O)O)C[C@H]1c1c[nH]c2ccccc12 60071068 NTPWBSOAOODTEW-YVEFUNNKSA-N 316.357 3.003 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC(c3ccccc3)CC2)C1 514775105 NGLLEHGUYFMFNN-CALCHBBNSA-N 314.473 3.371 0 40 DGAB CCSc1nc(N(CC)CC)c2cc(C(=O)O)sc2n1 217694136 ZERMUMNITZGJQR-UHFFFAOYSA-N 311.432 3.348 0 40 DGAB CN1CCC(NC(=O)/C(=C/c2ccccc2)c2ccccc2)CC1 78578767 KQPYGSCVRPJTPL-CAPFRKAQSA-N 320.436 3.438 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 78611052 DRPZSTGTZKPSRH-LBPRGKRZSA-N 323.437 3.071 0 40 DGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1nccs1 42739062 TVNCMXBNNPPGSJ-AWEZNQCLSA-N 316.430 3.102 0 40 DGAB CCc1ncncc1C(=O)Nc1ccnc(Oc2ccccc2)c1 79310344 SMYMLIDBBBUDDQ-UHFFFAOYSA-N 320.352 3.479 0 40 DGAB CC(=O)N1CC[C@H]1c1cc(N2CCCc3ccccc32)nc(C)n1 72387657 ZMXFWQIHPTVPQP-SFHVURJKSA-N 322.412 3.163 0 40 DGAB CC(C)(C)OC(=O)N1CCc2c(-c3cccc(N)c3)ncnc21 2362804413 YJQWSZAGVLOOLG-UHFFFAOYSA-N 312.373 3.023 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(C)nn2C2CCCC2)cc1 32611654 UUKJNGLHZZXQSR-UHFFFAOYSA-N 319.430 3.416 0 40 DGAB CCc1n[nH]c(NC(=O)CSC(C)(C)C)c1Br 81865334 VSYJFPJEJIYOJG-UHFFFAOYSA-N 320.256 3.205 0 40 DGAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(F)cc2)cn1 225475208 FYGIZHAUMOKFDN-JTQLQIEISA-N 305.378 3.277 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)NCCC(C)C)n2)c1 41184470 CKKPFPGJIKZEJC-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB CCc1cnc(CN(C)C(=O)NCc2cc(C(C)C)no2)s1 83228121 WVJQRCKSORCWRP-UHFFFAOYSA-N 322.434 3.159 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=S)Nc1ncccc1C 225638479 PBRGWEIQSOLCKL-CQSZACIVSA-N 315.442 3.452 0 40 DGAB Cc1cn(C)nc1C(=O)N(C)[C@H](C)c1nc2ccccc2s1 331881655 ZSJBCHFBMPSJMH-LLVKDONJSA-N 314.414 3.171 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500304 QUQRITIVIMGXQK-SSDOTTSWSA-N 308.712 3.098 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2CN2CCNC2=O)c(C)c1 97232668 DBHYIEMWGSZSGD-UHFFFAOYSA-N 323.396 3.081 0 40 DGAB c1cc([C@@H]2CCN(Cc3noc(-c4ccsc4)n3)C2)ccn1 584061265 FVXQILZKHVXBAE-CYBMUJFWSA-N 312.398 3.183 0 40 DGAB c1ccc2c(c1)OCCC[C@H]2NCc1nnc2n1CCCCC2 96476379 VZMTXUPPPKYDFT-OAHLLOKOSA-N 312.417 3.008 0 40 DGAB C[C@@H]1C[C@@H](N(C)Cc2cnsn2)CCN1Cc1ccccc1 585090670 NKAGPKKBVMPWLN-PBHICJAKSA-N 316.474 3.023 0 40 DGAB COc1ccccc1-c1noc([C@@H](C)C(=O)OC(C)(C)C)n1 585120239 BCSWKCRQBSOAEC-SNVBAGLBSA-N 304.346 3.190 0 40 DGAB Cc1cc(NC(=O)[C@H](C)n2cccn2)ccc1Br 24746641 KGBAHKLBENMFQD-JTQLQIEISA-N 308.179 3.154 0 40 DGAB Cc1cc2nccc(C3CCN(CCC(F)(F)F)CC3)n2n1 257232696 GMACOXMEMPMCLB-UHFFFAOYSA-N 312.339 3.170 0 40 DGAB CC(=O)N1CCCC[C@H]1c1csc(Nc2ccccn2)n1 257263495 LQDYKWDSDQUVEJ-ZDUSSCGKSA-N 302.403 3.355 0 40 DGAB CO[C@](C)(CNC(=O)c1ccc(F)c(F)c1)c1ccccc1F 96123463 FGYHQCNXRXAXCP-QGZVFWFLSA-N 323.314 3.396 0 40 DGAB CC(=O)N1CCC(Cc2ccc(-c3ccc(CO)cc3)nc2)CC1 72365855 JCYQYIKTTFEJBH-UHFFFAOYSA-N 324.424 3.042 0 40 DGAB CCCNC(=O)c1cccc(NCc2nc(CC(C)C)no2)c1 55852296 MSPULOUAYDHIJV-UHFFFAOYSA-N 316.405 3.020 0 40 DGAB Cc1ccc(NC(=O)C(C)C)cc1NCC(=O)N[C@@H](C)C(C)C 55844614 ZNUSFCVLFPCENX-AWEZNQCLSA-N 319.449 3.162 0 40 DGAB O=C(c1ccon1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086525 MFFDPZHITGUFGC-LLVKDONJSA-N 310.275 3.323 0 40 DGAB CCn1nc(C)c(C(=O)OCCc2scnc2C)c1Cl 76089821 GXLYZDHARFMTFV-UHFFFAOYSA-N 313.810 3.029 0 40 DGAB Cc1sc2nc(CCn3cnc4ccccc43)[nH]c(=O)c2c1C 97164483 NLBYYEWRJHZRNI-UHFFFAOYSA-N 324.409 3.194 0 40 DGAB CCc1cnc([C@H](C)NC(=O)N2CCSC(C)(C)C2)s1 89289631 NHRXJQNGZFFCQF-JTQLQIEISA-N 313.492 3.304 0 40 DGAB Cc1cc(OS(=O)(=O)c2cccs2)n(-c2ccccc2)n1 5234900 RFEHVTGWMPBBOJ-UHFFFAOYSA-N 320.395 3.010 0 40 DGAB CCNC(=S)Nc1ccccc1C(=O)N1CCCCCC1 12138159 OAJIDUTZBAMCOB-UHFFFAOYSA-N 305.447 3.009 0 40 DGAB CCS(=O)(=O)Nc1ccc(-c2cn3cccc(C)c3n2)cc1 12250888 WYDPDMQFWDXXSA-UHFFFAOYSA-N 315.398 3.071 0 40 DGAB Cn1cc(CN2CCC[C@H](c3cc4ccccc4cn3)C2)cn1 12337385 LMAXCHXFKRBXBQ-SFHVURJKSA-N 306.413 3.348 0 40 DGAB CCc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2)cc1 14219036 FBTPLSSQDHTRFH-GFCCVEGCSA-N 307.390 3.428 0 40 DGAB CSc1cccc(C(=O)Nc2nc3c(s2)CN(C)CC3)c1 15880137 KIODCNDCAQWVRO-UHFFFAOYSA-N 319.455 3.105 0 40 DGAB Clc1ccc2nc(N3CCC4(CC3)OCCO4)sc2c1 1888941655 PBCVZPFRKMEPHJ-UHFFFAOYSA-N 310.806 3.293 0 40 DGAB Cc1cc(NCc2cc(-c3ccco3)cs2)n2ncnc2n1 1889208402 RCBISPAICGIGBL-UHFFFAOYSA-N 311.370 3.366 0 40 DGAB CCN1C(=O)CC[C@]12CCCN(Cc1sc(C)nc1C)CC2 1614947515 YLIUELJOAGOBIM-KRWDZBQOSA-N 321.490 3.127 0 40 DGAB Cc1cc2ncc(NC(=O)c3cccc(C(F)(F)F)c3)cn2n1 206737609 YZURSEJWQVNWMP-UHFFFAOYSA-N 320.274 3.309 0 40 DGAB O=C1CN(C(=O)Cc2ccc3c(c2)CCCC3)c2ccccc2N1 40162125 XEJMKKITTUMIGG-UHFFFAOYSA-N 320.392 3.093 0 40 DGAB O=C(CN1CCCC1)Nc1nc(-c2ccc(Cl)cc2)cs1 73760 TUEMXJXGAZIXQV-UHFFFAOYSA-N 321.833 3.498 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=O)c3cnc(C)cn3)c2C)cc1 30821166 WAFUKTRNRXGJFC-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB Cc1cc2ncn(C[C@@H](O)CN(C)c3ccccc3)c2cc1C 51149443 WPMKMEMDBJLVSK-KRWDZBQOSA-N 309.413 3.150 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)C1[C@@H]3CCCC[C@@H]13)CC2 101401317 GZKLATNJMIAWHC-HUUCEWRRSA-N 315.413 3.025 0 40 DGAB CCCCN1C(=O)c2ccc(C(=O)N[C@@H](C)CCC)cc2C1=O 20935827 UARPVDGXHZEYJG-LBPRGKRZSA-N 316.401 3.001 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 365020 GKSOCGFNKXLNAJ-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@@H]2CCCC[C@@H]21 41194945 OPUINCBKNLBWQK-UONOGXRCSA-N 313.319 3.489 0 40 DGAB CCOc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(OC)c1 44659 GTKYUXZLZAGIRW-WJDWOHSUSA-N 323.348 3.438 0 40 DGAB CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@@H](C)C2 250330 FGKASDLHVGPAKM-JTQLQIEISA-N 304.440 3.050 0 40 DGAB O=C(c1cccs1)N1CCN=C1SCc1ccccc1 429410 QSZGSJKBESZQGI-UHFFFAOYSA-N 302.424 3.493 0 40 DGAB C[C@@H]([C@H](O)c1ccccc1)N(C)C(=S)Nc1ccccc1 485579 AZVZKKUWPINSTE-BBRMVZONSA-N 300.427 3.437 0 40 DGAB biogenic CCN1C(=O)[C@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 565265 YHTJGAUUXSHCDA-LJQANCHMSA-N 306.365 3.079 0 40 DGAB biogenic ClC(Cl)(Cl)[C@H]1CCO[C@@H]1n1nnc2ccccc21 1648747 AZWFGWXLPYOQGI-XVKPBYJWSA-N 306.580 3.337 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2ccccc2c1=O 3269944 ZLDUVVNSRIIFQS-UHFFFAOYSA-N 317.348 3.069 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)c2cccc(Cl)c2)cc1 3555479 LVFPKOKRGQCMRW-UHFFFAOYSA-N 316.788 3.359 0 40 DGAB COCC(=O)Nc1ccc(-c2nc3cccnc3s2)cc1C 4063070 TXEWOLCYUUNWKG-UHFFFAOYSA-N 313.382 3.252 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 4173961 KEOHVBVLJVUNLS-OZVVPTBGSA-N 308.164 3.305 0 40 DGAB Cc1ccc2c(c1)C1=C(CO2)[C@@H](c2ccccc2)N2NC=NC2=N1 5575534 QRFXFKCPVUTEKT-GOSISDBHSA-N 316.364 3.058 0 40 DGAB COc1cccc(C(=O)Nc2nc(-c3ccccn3)cs2)c1 5689027 ZCSYJUOQHJFJBP-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB O=C(Nc1ccccc1)c1ccc(CSc2ncn[nH]2)cc1 5736729 PKFXUGMHTLHEJR-UHFFFAOYSA-N 310.382 3.349 0 40 DGAB COc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1 6315744 RJPNLNTVTSVICD-UHFFFAOYSA-N 317.410 3.375 0 40 DGAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccccc1C(F)(F)F 6642484 STDXGUQKHRNNMG-DSXPNFDZSA-N 313.275 3.319 0 40 DGAB COc1cccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 8733867 NOFHDPBBIDLZSV-UHFFFAOYSA-N 301.342 3.200 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)c(Cl)cc2OC)cn1 9154966 LHZPCNFKMIKYNP-UHFFFAOYSA-N 306.749 3.313 0 40 DGAB CCc1ccccc1NC(=O)CNC(=O)c1cc(C)sc1C 9454623 VCEQIVCKQHHNRP-UHFFFAOYSA-N 316.426 3.296 0 40 DGAB CCOC(=O)c1cn(Cc2ccccc2)c2ccccc2c1=O 9941327 RWZQZQCEKZIQHV-UHFFFAOYSA-N 307.349 3.227 0 40 DGAB CC(=O)c1ccc(OC(=O)CCc2ccc3c(c2)OCO3)cc1 10405958 JTHYROFWKIJNRV-UHFFFAOYSA-N 312.321 3.156 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCCc1ccccc1 11636959 KIZPZFDHIMTUGM-SFHVURJKSA-N 313.397 3.212 0 40 DGAB CCC(=O)c1ccc(OC[C@@H](O)CSc2ccccn2)cc1 11692571 FRDACZNCADSFEQ-CQSZACIVSA-N 317.410 3.206 0 40 DGAB CCOC(=O)c1cc(CN[C@H](C)c2cc3ccccc3o2)on1 12410826 DWGMNJWZPUHUJQ-LLVKDONJSA-N 314.341 3.448 0 40 DGAB Cc1cc(NC(=O)NCC2(N3CCCCC3)CCCCC2)no1 12867981 KSUPIWIBKKPZNF-UHFFFAOYSA-N 320.437 3.293 0 40 DGAB O=S(=O)(NCc1ccsc1)c1cccc2ccccc12 13724964 JFZMCGDVPYRKEV-UHFFFAOYSA-N 303.408 3.380 0 40 DGAB COc1ccc([C@@H](C)NC(=O)/C=C/c2ccco2)cc1OC 20030319 URFXUAVXLGJYQC-YPUOHESYSA-N 301.342 3.187 0 40 DGAB CCc1nnc(SCc2nnc(-c3ccc(F)cc3)o2)o1 20034139 WBIJKQZJMLVPKK-UHFFFAOYSA-N 306.322 3.113 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)c1cccc(Cl)c1 20138039 XZKBJWSVFXGMSD-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB CC1=C(C(=O)O)[C@H](c2ccccc2)n2c(nc3ccccc32)N1 20153894 RSXOCKFLAMQNPU-INIZCTEOSA-N 305.337 3.410 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cccc(CN3CCOCC3)c2)c1 20491476 XUJKHCXYLQOIED-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB O=C(NCc1ccc(CN2CCCCC2)cc1)c1ccccc1O 21961626 VYMHCSWWCAMKRX-UHFFFAOYSA-N 324.424 3.308 0 40 DGAB CCCCC(=O)N(C)CCCNc1cc(=O)oc2ccccc12 22472978 BGIXERHUSYCLHQ-UHFFFAOYSA-N 316.401 3.244 0 40 DGAB biogenic C[C@H](NC(=O)c1cccnc1)c1ccccc1Br 23526012 CJMRTVGFGYJFKI-JTQLQIEISA-N 305.175 3.335 0 40 DGAB Cc1nc(C(=O)N2CCCCCC2)nn1-c1ccc(Cl)cc1 24583072 MSCYBYJMFYEXRI-UHFFFAOYSA-N 318.808 3.245 0 40 DGAB CCc1noc(C)c1C(=O)NCc1nc2ccccc2s1 31098909 CKYFRIAPHSOKDS-UHFFFAOYSA-N 301.371 3.085 0 40 DGAB Cc1c(C(=O)N(C)Cc2cccs2)[nH]c2c1C(=O)CCC2 31345790 YDFNFQHEPGDCPC-UHFFFAOYSA-N 302.399 3.176 0 40 DGAB O=C(NCc1ccncc1)c1cc(-n2cccc2)ccc1Cl 31821113 LQCUUBJKVHTBCY-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB Cc1n[nH]c(S/C(=C\c2ccccc2OC(C)C)C(=O)O)n1 33323686 NBIDALSYBBDZES-JYRVWZFOSA-N 319.386 3.118 0 40 DGAB Cc1nc[nH]c1CN(CCCn1ccnc1)C[C@@H]1CC=CCC1 36740227 BRIUKQFBOKAZQA-QGZVFWFLSA-N 313.449 3.163 0 40 DGAB C[C@H](CNc1ccccc1SCC(N)=O)c1ccccc1 37071797 XQZJXPFCYOQBOA-CYBMUJFWSA-N 300.427 3.480 0 40 DGAB CC1(C)CC(Nc2ncnc3ccc(F)cc23)CC(C)(C)N1 41470942 ZJEITOHBDWULQH-UHFFFAOYSA-N 302.397 3.490 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N[C@H](C)c2ccccn2)cc1F 45560704 YYFPUWQSAVHBTI-VXGBXAGGSA-N 317.364 3.351 0 40 DGAB C[C@H](CNC(=O)c1ccc2ccccc2n1)N(C)c1ccccc1 46809588 XIAAWWGDDDGDSW-OAHLLOKOSA-N 319.408 3.490 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(F)cc2F)C1 47416372 QVRMNTSWPAPDJC-BETUJISGSA-N 310.388 3.063 0 40 DGAB O=c1[nH]c(CN2CCC[C@H]2c2cccs2)nc2ccccc12 49581348 CFPZVUDNDXLFCJ-AWEZNQCLSA-N 311.410 3.322 0 40 DGAB CC1CCN(CCCNC(=O)N[C@H](C)Cc2ccsc2)CC1 50157611 CBDNATVHLONAGW-OAHLLOKOSA-N 323.506 3.100 0 40 DGAB Clc1ncccc1CSc1nnnn1Cc1ccccc1 58174313 DTWQRJGFAVESCR-UHFFFAOYSA-N 317.805 3.062 0 40 DGAB O=C(CCN1CCC(c2cc3ccccc3[nH]2)CC1)NC1CC1 58201924 NENOIUGHRZQBLF-UHFFFAOYSA-N 311.429 3.016 0 40 DGAB CN(C(=O)COC(=O)c1nccc2ccccc12)c1ccccc1 64875276 PUDJQYHGESMUSI-UHFFFAOYSA-N 320.348 3.055 0 40 DGAB Cn1ncc2c(Oc3ccc(Oc4ccccn4)cc3)ncnc21 65523574 IQRNWQSQRCIBLI-UHFFFAOYSA-N 319.324 3.343 0 40 DGAB O=C(Nc1cccc(OCC(F)(F)F)c1)N1CCSCC1 65593549 CRDOAMSGKAWVBJ-UHFFFAOYSA-N 320.336 3.208 0 40 DGAB COc1cccc(CNC(=O)NCc2ccc(C)s2)c1OC 65607026 HUHLECZSRPEBIR-UHFFFAOYSA-N 320.414 3.073 0 40 DGAB C[C@H](OC[C@H]1CCCO1)C(=O)N1CCCSc2ccccc21 68759793 GBNXQZCZANAUMV-UONOGXRCSA-N 321.442 3.100 0 40 DGAB Cc1cccc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c1 69435592 QWYPDRKCCPURNH-UHFFFAOYSA-N 310.401 3.010 0 40 DGAB Cc1ccc([C@H](CNC(=O)Cc2cccs2)N2CCCC2)o1 69559855 WLQWCPUKYRWDAN-HNNXBMFYSA-N 318.442 3.145 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)c2cc(F)ccc2F)s1 69741929 CFSAJNKZJAUZCB-LURJTMIESA-N 300.355 3.488 0 40 DGAB CS(=O)(=O)c1ccc(-c2csc(-c3ccoc3)n2)cc1 69774227 LNGQOZLZUKDZLY-UHFFFAOYSA-N 305.380 3.474 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CCC[C@H](n2ccnc2)C1 69917603 WRNWSCDAHBQMCH-LBPRGKRZSA-N 307.756 3.153 0 40 DGAB CCN1CC[C@H](CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 71819611 CEZHOGHKTCCWLH-CYBMUJFWSA-N 318.852 3.162 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](N3[C@@H](C)CC[C@H]3C)C2)c(C)n1 71830796 WZSBNVDKAXHGAG-HLLBOEOZSA-N 315.461 3.176 0 40 DGAB COc1cc(C)c(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72218056 ZWDAKMARGTZWDD-UHFFFAOYSA-N 322.405 3.276 0 40 DGAB CN(C)c1cc(NC(=O)c2ccccc2F)c(Cl)cc1N 72229192 OOWBKWRWGYKMFD-UHFFFAOYSA-N 307.756 3.380 0 40 DGAB Cc1cccc(CC(=O)N(CC(F)(F)F)C2CCOCC2)c1 75166639 NLAPJNQSHXPCPY-UHFFFAOYSA-N 315.335 3.107 0 40 DGAB CCCN(CCc1ccccn1)C(=O)c1cccnc1Cl 79044860 PEZDTHJPXZSSHW-UHFFFAOYSA-N 303.793 3.225 0 40 DGAB O=C(NCC[C@@H](O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 81253724 SWNRTMHLFQGUCU-ZVQXUQNISA-N 313.441 3.443 0 40 DGAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)c1nccn2ccnc12 81314399 BWRIMJOVJAHPPM-CQSZACIVSA-N 320.396 3.343 0 40 DGAB CC(=O)c1c(C)cc(C)c(CN2CC[C@H](N3CCCC3)C2)c1C 84075108 XMAHHDCHNXGYMJ-SFHVURJKSA-N 314.473 3.485 0 40 DGAB CN(C[C@H](O)c1ccc(F)cc1)C(=O)c1cccc2[nH]ccc12 87554587 ORHWJMMLWJUCGA-KRWDZBQOSA-N 312.344 3.113 0 40 DGAB O=C(Nc1nnc(-c2ccccc2)o1)c1ccncc1Cl 91450683 OYUXGEHIJZIXQR-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCC(C)C 94993214 RNMPSNOAUGNSPI-UHFFFAOYSA-N 324.428 3.204 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@H]1CCCC[C@H]1OCC(F)(F)F 95408589 WPOWWPMCYKUAEK-DGCLKSJQSA-N 318.339 3.191 0 40 DGAB Cn1ccnc1[C@H]1CCCN1C(=O)CCc1ccc(Cl)s1 95456720 QDFSKVXVGQSPIK-GFCCVEGCSA-N 323.849 3.431 0 40 DGAB O=C(C1=CCCC1)N1CCc2c(ncn2CCc2ccccc2)C1 95987008 WMOFHZTUAFRLED-UHFFFAOYSA-N 321.424 3.121 0 40 DGAB CCN(CC)C(=O)CCCN1C(=O)CC(C)(C)c2ccccc21 96184035 IGIUBZZEUJEUIM-UHFFFAOYSA-N 316.445 3.350 0 40 DGAB Cc1csc([C@@H](NC(=O)CCc2ccccn2)C2CC2)n1 96425437 XLRKJJFXADHISZ-HNNXBMFYSA-N 301.415 3.047 0 40 DGAB O=C(CCC(F)(F)F)N[C@@H]1CCN(c2cccc(Cl)c2)C1 96456423 UAOJPLKAFPVXJW-LLVKDONJSA-N 320.742 3.377 0 40 DGAB CS(=O)(=O)c1ccccc1N1CC[C@H](c2ccc(F)cc2)C1 96461856 WFORAMWCPUINCQ-AWEZNQCLSA-N 319.401 3.223 0 40 DGAB C[C@H](NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ncon1 97047458 ZDLLHLDRRLSEIA-VIFPVBQESA-N 313.279 3.056 0 40 DGAB Cc1ccc(-c2cccc(C(=O)N(C)CCn3cccn3)c2)o1 97301296 PHCJCZXZDJWKCN-UHFFFAOYSA-N 309.369 3.224 0 40 DGAB CCO[C@H](C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 97371983 ISQNORQPIBLZKR-HQJQHLMTSA-N 311.250 3.109 0 40 DGAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1cccc2ccccc12 101709468 MBPFLLCGZOHNRQ-AWEZNQCLSA-N 307.349 3.033 0 40 DGAB CC(=O)N1CC[C@H](N[C@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 107323499 WQZQGTULKCMQNF-USBNGQNGSA-N 312.816 3.387 0 40 DGAB CCc1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1OC 113970775 XRSCSJANEDHVRJ-UHFFFAOYSA-N 305.399 3.367 0 40 DGAB O=C(NCCCc1cccc(F)c1)N[C@H]1CCO[C@H](C2CC2)C1 122115517 DOEJYFVKSYGJSB-IRXDYDNUSA-N 320.408 3.015 0 40 DGAB CC(C)c1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cnccn1)CC2 188154999 HIJZPZZHINKIMV-SFHVURJKSA-N 324.428 3.429 0 40 DGAB C[C@H](Sc1nncn1C)C(=O)c1ccccc1C(F)(F)F 190964843 QHYYQMWVNSGGTH-QMMMGPOBSA-N 315.320 3.197 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 192366506 LXTBTXBKUHWOBS-QWRGUYRKSA-N 323.355 3.346 0 40 DGAB CCCC[C@H](CC)CNS(=O)(=O)c1ccc(OC)c(F)c1 224392930 MQEJJSOSYUQRPC-LBPRGKRZSA-N 317.426 3.329 0 40 DGAB Cc1nc(CN2CCC[C@@H](c3ccc4cn[nH]c4n3)C2)cs1 257305314 SPKBGIJJTSWRRP-CYBMUJFWSA-N 313.430 3.102 0 40 DGAB C[C@H]1C[C@@H](NCc2c(F)cccc2Br)CCN1C 390833406 HAYFLYWYDNPXCE-QWRGUYRKSA-N 315.230 3.161 0 40 DGAB COc1cccc(CNC(=S)c2cccc(OC)c2OC)c1 408571481 CIQBFVAQGASUFT-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB CC(C)[C@@H](O)Cc1ccccc1-c1cnn(-c2ccccn2)c1 530251484 RWCMPGXCMISQAR-SFHVURJKSA-N 307.397 3.494 0 40 DGAB CSCC[C@@H](C(=O)Nc1ccc2nc[nH]c2c1)n1cccc1 575443244 ODODKFIPTCUVIX-HNNXBMFYSA-N 314.414 3.297 0 40 DGAB O=C(/C=C/c1ccco1)NCC[C@H](CCO)c1cccs1 575607399 LKUHPUICSYVMJU-URWSZGRFSA-N 305.399 3.027 0 40 DGAB CCc1ccc2occ(C(=O)NC[C@H]3CN4CCC3CC4)c2c1 585087980 FJDWRHDKQYYULE-HNNXBMFYSA-N 312.413 3.067 0 40 DGAB O=C(CSC[C@@H]1CCCCO1)Nc1ccnc(Cl)c1F 585125196 JYLNFFLKHJQPIY-VIFPVBQESA-N 318.801 3.115 0 40 DGAB CC(C)[C@H](SCc1ccccc1)C(=O)Nc1ccc[n+]([O-])c1 585127748 IHRBKSOVVKAJLX-INIZCTEOSA-N 316.426 3.217 0 40 DGAB CCOc1ccc(NC(=O)NC[C@H](O)c2cc(C)oc2C)cc1 1565520350 PLDNEXJLYHZAJF-INIZCTEOSA-N 318.373 3.150 0 40 DGAB Cc1nnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)s1 1888834003 HMKXNVKDHXZIPL-QWRGUYRKSA-N 309.826 3.069 0 40 DGAB COc1ccc2sc(NC(=O)c3cc(C)c(F)cn3)nc2c1 1888914107 GNMJHLFPKYQTQL-UHFFFAOYSA-N 317.345 3.400 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3cc(Cl)ccc3o2)C1 1889114235 HXXNDNVMEVPTLJ-SNVBAGLBSA-N 321.808 3.222 0 40 DGAB CCOc1cccc2sc(N3CC(Cn4ccnc4)C3)nc12 1889184572 CIIRMEOESBQIQH-UHFFFAOYSA-N 314.414 3.028 0 40 DGAB Cc1cccc(NC(=O)CCCN2C(=O)c3ccccc3C2=O)c1 235306 OGQYRPOUOJEIAN-UHFFFAOYSA-N 322.364 3.010 0 40 DGAB C[C@@]12CNC[C@](C)(CN(Cc3cccc(Br)c3)C1)C2 346458 QPIQUDOMAVCFPU-HZPDHXFCSA-N 323.278 3.271 0 40 DGAB CSc1nnc2c3c4c(sc3nc(C)n12)C[C@@H](C)CC4 413746 XWNYFHUKBKKVNX-ZETCQYMHSA-N 304.444 3.494 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(-c3ccco3)o2)c1 421912 VMPONRFBNLYODB-UHFFFAOYSA-N 315.354 3.369 0 40 DGAB CCSC1=N/C(=C/c2ccc(OC)c(OC)c2)C(=O)S1 458431 IHMOUPRRLJKHNF-JXMROGBWSA-N 309.412 3.427 0 40 DGAB COc1ccc(-[n+]2c(C)c3c(O)cccc(OC)c-3c2C)cc1 1295796 GZXJKANMBOUTNJ-UHFFFAOYSA-O 310.373 3.408 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)c1cc(F)c(F)c(F)c1F 1424418 YIGWNRYWSWYORH-UHFFFAOYSA-N 323.249 3.049 0 40 DGAB COC(=O)c1ccc(Cl)cc1OCC(=O)Nc1ccccc1 1619270 YBVIABNABCTGLE-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1cnc(NC(=O)/C=C/c2ccc(Br)o2)s1 2653138 OMUODCPOVFHATD-HWKANZROSA-N 313.176 3.459 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1sccc1C 3510998 HGAUFFNODIYGKM-NSHDSACASA-N 319.382 3.249 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccccc1 4615078 ZJPJUJAMHLOGRR-MRXNPFEDSA-N 318.461 3.416 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)c(F)c1 4851924 BHGNTZRCWVFIAV-UHFFFAOYSA-N 316.263 3.062 0 40 DGAB COc1ccc(CCNC(=O)CSc2ccc(F)cc2)cc1 5704812 IHQRTOFFHBGALI-UHFFFAOYSA-N 319.401 3.285 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(Br)cc1 6225381 VRVCZKYAQXBYKF-UHFFFAOYSA-N 324.203 3.430 0 40 DGAB CC(C)CNC(=O)CSCc1ccc(Br)cc1 6255849 VGDYNPVDHIPVPH-UHFFFAOYSA-N 316.264 3.455 0 40 DGAB Cc1cccc(N2CCN(C(=O)NC3CCCCC3)CC2)c1 6628072 DNONCSOFJKJDLS-UHFFFAOYSA-N 301.434 3.159 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1 7407484 PBQIZIONFIKXHR-RUDMXATFSA-N 301.371 3.076 0 40 DGAB COC(=O)c1cc(NC(=O)c2cccc(OC)c2)ccc1Cl 8167125 JGYSCLJHOXABHC-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB COc1cc(OC)cc(C(=O)OCc2nc3ccccc3o2)c1 8278165 QOKAYKLAAAUINE-UHFFFAOYSA-N 313.309 3.202 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)C(=O)Nc1ccc(F)cc1 8707732 STRSEJBTVNNCSX-UHFFFAOYSA-N 316.332 3.261 0 40 DGAB CCOc1ccc(CCNC(=O)c2ccoc2)cc1OCC 8943674 KVMMZDVOKMEYPN-UHFFFAOYSA-N 303.358 3.050 0 40 DGAB CS(=O)(=O)N(Cc1ccccc1Cl)c1ccc(F)cc1 9426018 LIUWLVZWFZMVLT-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1nc2ccccc2[nH]1 9467623 NISPBUUWGHQZOI-SECBINFHSA-N 301.296 3.332 0 40 DGAB CCC(=O)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1 11074076 OGNPUGXRINWATQ-LLVKDONJSA-N 308.378 3.357 0 40 DGAB Cc1oc(C2CC2)cc1C(=O)N[C@H](C)Cn1nnc2ccccc21 12183296 PLYDTPMXHTVAFD-LLVKDONJSA-N 324.384 3.029 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)N1C[C@H](C)O[C@H](C)C1 13164952 HVMPCHPGVAIXKO-MBNYWOFBSA-N 300.402 3.157 0 40 DGAB CCCCc1ccc(NC(=O)C(=O)c2c(C)nn(C)c2C)cc1 16202244 UKLUZEOXHKIIOX-UHFFFAOYSA-N 313.401 3.201 0 40 DGAB C[C@H]1CCc2ccccc2N1CC(=O)N1CCc2ccccc2C1 16339084 VUCGBJXANSTHCY-INIZCTEOSA-N 320.436 3.413 0 40 DGAB CCCC[C@H](C)Sc1nc2c([nH]1)c(=S)n(C)c(=O)n2C 17379719 GSHKIOMIOUHOPF-QMMMGPOBSA-N 312.464 3.000 0 40 DGAB COc1ccccc1CN(C)C(=O)Nc1ccccc1OC 18172882 XSBONSYXYHXDBH-UHFFFAOYSA-N 300.358 3.368 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c1 18700508 MBCMNDHSIWWEAR-UHFFFAOYSA-N 317.410 3.268 0 40 DGAB O=C(Nc1ccc(-c2cn3ccccc3n2)cc1)[C@@H]1CCCO1 21030785 DKXXYNJXRMATKI-INIZCTEOSA-N 307.353 3.119 0 40 DGAB COc1ccccc1CN(C)C(=O)COc1ccc(Cl)cc1 22524180 VJSLUZMBFYQYIQ-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB Cc1cc(NC(=O)C2CCCC2)sc1C(=O)N1CCCC1 24538669 MXESZOZOVISHEK-UHFFFAOYSA-N 306.431 3.421 0 40 DGAB Cc1cc(C)c(OC(=O)CCNC(=O)c2ccsc2)c(C)c1 25013399 BUDMHWOSYANCFH-UHFFFAOYSA-N 317.410 3.399 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1cc(Cl)c[nH]1 25201382 NHXMNVQCPVQPQN-NSHDSACASA-N 320.776 3.469 0 40 DGAB COc1ccc(-c2nnc(CN3C[C@@H](C)C[C@@H](C)C3)o2)cc1 27342643 SBNAMIFTPSKMEZ-BETUJISGSA-N 301.390 3.223 0 40 DGAB CN(C)COC(=S)SC(=O)Oc1ccc(Cl)cc1 31614395 NCWAEXZGHZFESB-UHFFFAOYSA-N 305.808 3.393 0 40 DGAB CCN(CC)C(=O)c1ccn(COc2cc(C)cc(C)c2)n1 32611008 XAFJJQZOCYXIFK-UHFFFAOYSA-N 301.390 3.018 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)NCCc1ccccc1 32827520 JXISTIWZCMBRKD-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB Cc1ccc(OCCN2C(=O)C(=O)c3cccc(Cl)c32)cc1 39288023 SDDDFQQWUUCROW-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB CCOC(=O)c1c(C2CC2)csc1NC(=O)c1ccccn1 40160229 MHTYYMJPPYNYHA-UHFFFAOYSA-N 316.382 3.450 0 40 DGAB CCCc1cc(C(=O)Nc2c(C)nn(-c3ccccc3)c2C)[nH]n1 44152020 DJWKUSIOCPSIKS-UHFFFAOYSA-N 323.400 3.417 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2c2ccsc2)C1 46088358 JLNPPZFYNSGUHU-IIAWOOMASA-N 306.475 3.390 0 40 DGAB CCCC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)NCC 48693862 QEUZPVFEPCDOHL-UHFFFAOYSA-N 303.189 3.482 0 40 DGAB CN(c1ccccc1)C1CCN(C(=O)Nc2cccnc2)CC1 50076758 IUSHIPJBGZEFAE-UHFFFAOYSA-N 310.401 3.214 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@H]3CCCC[C@@H]32)c1 52915474 MYLHYEVDLIRNCC-PBHICJAKSA-N 300.402 3.440 0 40 DGAB Cc1cc(OC(=O)c2cnc3ccccn3c2=O)cc(C(C)C)c1 55414078 WPCZLBMXPOGGCV-UHFFFAOYSA-N 322.364 3.346 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)Cn2nnc3ccccc32)c1 56001106 NFFUXSIADSQXHO-KRWDZBQOSA-N 320.396 3.103 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)c2cc(C)n[nH]2)cc1 56271241 KJTLOCULUVLKHH-QGZVFWFLSA-N 313.401 3.484 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)C2(CCCCC2)O1 57355718 GNFXVMBDAZQCMF-NSHDSACASA-N 309.312 3.169 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)[C@H](C)n1nc(C)cc1C 58265946 DUYBXNFTKFZHDN-AWEZNQCLSA-N 313.401 3.049 0 40 DGAB CCn1ccc(=O)nc1SCc1ncc(-c2ccccc2)o1 58342829 XZPOZGFGQQEMAH-UHFFFAOYSA-N 313.382 3.211 0 40 DGAB c1ccc2c(c1)CCC[C@@H]2Sc1nnnn1C[C@@H]1CCCO1 58987225 STGRJIRVRWGKOG-ZFWWWQNUSA-N 316.430 3.022 0 40 DGAB CN(C)[C@@H](C(=O)NCCc1ccc(Cl)cc1)c1ccccc1 62090488 JMGYSLQDNNTOBJ-QGZVFWFLSA-N 316.832 3.302 0 40 DGAB Cn1cc(NC(=O)Nc2ccc(F)c(C(F)(F)F)c2)cn1 65438409 IFBVKUZDZJFTIJ-UHFFFAOYSA-N 302.231 3.222 0 40 DGAB Cn1nccc1C1CCN(Cc2cccc3cccnc23)CC1 65517532 AWXUWFUMQVDRMO-UHFFFAOYSA-N 306.413 3.348 0 40 DGAB C[C@@H]([C@@H](C)NCc1ccnc(-c2ccccc2)n1)n1cccn1 69372210 RSDBWRFKXXCWMT-CABCVRRESA-N 307.401 3.079 0 40 DGAB Cc1oc(-c2ccco2)nc1Cn1c(CO)nc2ccccc21 69812087 AXOLRCFZAPZYEH-UHFFFAOYSA-N 309.325 3.133 0 40 DGAB Cc1ccc(C(=O)NCCc2nc(C(C)(C)C)cs2)cn1 71856430 ULWGMNKARVENDV-UHFFFAOYSA-N 303.431 3.117 0 40 DGAB C[C@H]1CCCC[C@@H]1OCC(=O)Nc1ncccc1OC(F)F 71903612 XFPDQEKOUFFLOU-QWRGUYRKSA-N 314.332 3.217 0 40 DGAB COc1ccc(-c2cc(-c3ccc(C)o3)nc(N)n2)cc1OC 71978294 QJCCGKDDNSYIME-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB Cc1cc(N)ncc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218495 KVCXEWIDGZZAKE-INIZCTEOSA-N 311.385 3.446 0 40 DGAB CC(C)n1cc(S(=O)(=O)Nc2cccc3c2CCCC3)cn1 72239322 YZWKJEZDHRCTFC-UHFFFAOYSA-N 319.430 3.144 0 40 DGAB O=C(Nc1nccs1)N(CCO)[C@@H]1CCCc2ccccc21 72286260 FEJKAFBWMGJTGG-CQSZACIVSA-N 317.414 3.047 0 40 DGAB O=C(CCCc1nnc2ccccn12)Nc1ccc2cc[nH]c2c1 72402192 TZTDDODQBFZSRA-UHFFFAOYSA-N 319.368 3.172 0 40 DGAB CCN(CC)[C@H]1CCN(C(=O)Nc2c(C)nn(C(C)C)c2C)C1 76066685 GBRDOPUOFHAYIX-HNNXBMFYSA-N 321.469 3.029 0 40 DGAB CC(C)C[C@H]1CCCCCN1Cc1cc(=O)n2ccccc2n1 77364754 KSPMUCBJYJRMQI-QGZVFWFLSA-N 313.445 3.485 0 40 DGAB CC(C)(C)c1csc(Cn2cnc3sccc3c2=O)n1 84284746 UGAIPBSJQMOFMW-UHFFFAOYSA-N 305.428 3.260 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N(C[C@@H]1CCOC1)C1CC1 84393374 FUCXPXTYPKWUCJ-AFAVFJNCSA-N 319.832 3.471 0 40 DGAB Oc1ccc(-c2csc(Cc3cn4ccccc4n3)n2)c(O)c1 84609764 FSJHCYHJFCHBGX-UHFFFAOYSA-N 323.377 3.460 0 40 DGAB Cc1ccc(N2CCC[C@@H](C(=O)Nc3cccc(C)c3C)C2)nn1 85470835 ZYMRTLUOQQDTDP-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB O=C(CCC(F)(F)F)Nc1cccn(Cc2ccccc2)c1=O 88268222 WUCIJHFSTZNKMJ-UHFFFAOYSA-N 324.302 3.178 0 40 DGAB O=C(C[C@H](O)c1cccc(F)c1)Nc1cc(Cl)ccc1O 89334861 CZMIBWJVTCGJCO-AWEZNQCLSA-N 309.724 3.247 0 40 DGAB CS[C@@H](C)CNC(=O)Cc1csc(-c2cccs2)n1 89900739 RZPDIVQEKCZGQE-VIFPVBQESA-N 312.485 3.282 0 40 DGAB CC(=O)Nc1ccc(CN(C)Cc2cc(Cl)cn2C)cc1 91930805 AKVPXSOAGJMJMF-UHFFFAOYSA-N 305.809 3.269 0 40 DGAB Cc1cc(Br)ccc1N(C)C(=O)[C@H]1CCO[C@H]1C 92336989 DFPVWZMFMQAROT-JQWIXIFHSA-N 312.207 3.145 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1 95411176 RVZNKDCMPCBSKQ-QWHCGFSZSA-N 311.451 3.107 0 40 DGAB CN(CC1CC1)c1ccc(C(=O)N2CCc3ccccc32)cn1 95958796 FFJWOWUJZJLMIV-UHFFFAOYSA-N 307.397 3.131 0 40 DGAB CC(C)(C)c1ccc2c(c1)CCCN2C(=O)CCc1nc[nH]n1 95980282 NTUNCXKIKYQFRW-UHFFFAOYSA-N 312.417 3.014 0 40 DGAB Cc1cc(C)n(CC(=O)N(Cc2ccccc2)c2ccncc2)n1 95996661 ZHJCCNYZEQUFAE-UHFFFAOYSA-N 320.396 3.128 0 40 DGAB c1ccc2oc(-c3noc([C@H]4CCn5cncc5C4)n3)cc2c1 96009448 LMFXBGVNRSILPU-LBPRGKRZSA-N 306.325 3.409 0 40 DGAB Clc1cc(NCc2cccnc2)ccc1CN1CCOCC1 96010192 NKUYPERUAWGWFC-UHFFFAOYSA-N 317.820 3.179 0 40 DGAB CCO[C@@H]1CO[C@@]2(CCCN(C(=O)CC3=CCCCC3)C2)C1 96107464 RGDWHXVKVPXOAX-WMZOPIPTSA-N 307.434 3.064 0 40 DGAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)Nc1ccn(CC(F)F)n1 96452291 SFBXRYUJFHQHMZ-QWHCGFSZSA-N 320.343 3.073 0 40 DGAB Cc1cccc(Cl)c1NC(=O)CN[C@H](C)c1ccncc1 97084013 LMNNCWRFZIPVOQ-GFCCVEGCSA-N 303.793 3.333 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[C@H]1C[C@H]2CC[C@H]1O2 107498690 IWHNYTQHZGPBCD-QKPAOTATSA-N 305.805 3.475 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2F)cc1 119955850 IBWQVZYJFGILMC-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB COc1cccc(-c2noc(N(Cc3cccnc3)C3CC3)n2)c1 153155205 YKXYPEZTLXAVEG-UHFFFAOYSA-N 322.368 3.309 0 40 DGAB Cc1nc(C)c(CCN[C@@H](Cc2ccccn2)C2CC2)s1 158019444 FYWWZCBDCNCHGF-INIZCTEOSA-N 301.459 3.308 0 40 DGAB O=C(NCCCF)C1(c2cc(F)cc(C(F)(F)F)c2)CC1 188741007 IHKGAGAPQUXDSZ-UHFFFAOYSA-N 307.262 3.352 0 40 DGAB O=C(C1CCOCC1)N1CCS[C@@H](c2cccs2)CC1 219513540 POACYXLBNGZOEG-CQSZACIVSA-N 311.472 3.181 0 40 DGAB O=S(=O)(Cc1ccccc1Cl)NCC1CCCCC1 224173096 WGDPZPBPCCWZEF-UHFFFAOYSA-N 301.839 3.340 0 40 DGAB O=C(NCc1ccccc1)c1ccc2c(c1)OCC1(CC1)CO2 225363517 BOGHJRLRUGSWHU-UHFFFAOYSA-N 309.365 3.168 0 40 DGAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)o1 226301123 SGUYXOXWDNSEOC-STQMWFEESA-N 314.385 3.087 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@H](Oc2ccccn2)C1 238880731 PEMWXJHPRDEFCF-LBPRGKRZSA-N 317.776 3.420 0 40 DGAB CC(C)Cc1ncc(-c2nccnc2C[C@@H]2CCCNC2)s1 257218929 DEVZWICZLUDHQH-ZDUSSCGKSA-N 316.474 3.341 0 40 DGAB Cc1ncoc1C(=O)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257240625 HUJSCLSQYBZGNH-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB O=C(c1c[nH]cn1)N1CCC(Cc2ccnc3ccccc23)CC1 257287583 PQNSHXDUVRSOHN-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H]3c3cnccn3)coc2c1 257304046 SJWQVJOZOABDJU-KRWDZBQOSA-N 321.380 3.437 0 40 DGAB CC(C)Oc1cncc(C(=O)N2CCOCc3ccccc32)c1 329946371 JMWIGLPZMKRONO-UHFFFAOYSA-N 312.369 3.046 0 40 DGAB O=C(Nc1cccnc1)N1CC2(CCOCC2)[C@H]1c1ccccc1 333913641 FUTPKUALYNONTA-QGZVFWFLSA-N 323.396 3.467 0 40 DGAB CCC[C@H](C)NS(=O)(=O)c1cc(Cl)ccc1OCC 408557410 MOLOGUBFJSZJKT-JTQLQIEISA-N 305.827 3.206 0 40 DGAB CCOc1ccc([C@H]2NC[C@@H](C(=O)O)S2)c2ccccc12 408976215 DYNIQWMXJYZOPO-GJZGRUSLSA-N 303.383 3.027 0 40 DGAB O=C(O)c1ccc(Cl)c(CN2CC[C@@H](c3cccnc3)C2)c1 520240256 PVHUVFALFLLZOO-CQSZACIVSA-N 316.788 3.423 0 40 DGAB CC(C)C[C@@H](C(=O)Nc1ccc(-c2nc[nH]n2)cc1)n1cccc1 575444498 KNJQOCWRWYXXJM-INIZCTEOSA-N 323.400 3.499 0 40 DGAB Cc1cc(C)c2nc(O)c(CNC[C@@H](O)c3ccccc3)cc2c1 585295163 NVMLIGUWRFNFAS-GOSISDBHSA-N 322.408 3.380 0 40 DGAB O=C(c1ccc(Br)s1)N1CCC[C@@H](CF)C1 711451652 KRFNVIBHTFYZDV-QMMMGPOBSA-N 306.200 3.332 0 40 DGAB COc1cccc(C(=O)NCC(C)(C)c2ccsc2)c1OC 1565519454 OYKJMBLNVPGQSO-UHFFFAOYSA-N 319.426 3.473 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc4sc(C)nc4c3)ccc2n1 1889013899 IOIULTKPWJHJEV-UHFFFAOYSA-N 323.381 3.208 0 40 DGAB c1ccc(N2C[C@@H]3[C@H](CCN3c3nsc4ccccc34)C2)nc1 1889191884 LDRUHRUHKXMAHL-UKRRQHHQSA-N 322.437 3.406 0 40 DGAB O=C(Nc1ccccc1)[C@@H](c1ccc(Cl)cc1)n1cncn1 1101482 LEBPJXMZZWVRSL-OAHLLOKOSA-N 312.760 3.160 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N[C@H](O)C(Cl)(Cl)Cl 2043287 VGJDCHRXONNPKT-SSDOTTSWSA-N 317.987 3.150 0 40 DGAB O=C(/C=C/c1ccco1)NC1CCN(Cc2ccccc2)CC1 2910456 KVHVSNBSLHVJOV-CMDGGOBGSA-N 310.397 3.074 0 40 DGAB COc1ccc(C)cc1NC(=O)COc1ccc(C(C)=O)cc1 3293616 KXJAPPCMLXWZQG-UHFFFAOYSA-N 313.353 3.224 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)[C@H]1COc2ccccc2O1 3346385 JBVFZVZPSDMMLA-MAUKXSAKSA-N 309.365 3.020 0 40 DGAB O=C(O)[C@H]1[C@@H]2C[C@@H]2CN1C(=O)c1ccc(Oc2ccccc2)cc1 4110207 BZYPJYMCKWWCSL-KBRIMQKVSA-N 323.348 3.024 0 40 DGAB CCOc1ccc(C(=O)c2cc3ccc(O)cc3oc2=O)cc1 4937838 VGTMSXHVCDAWEC-UHFFFAOYSA-N 310.305 3.128 0 40 DGAB biogenic COc1ccc(C)c2c1N(Cc1ccccc1Cl)C(=O)C2=O 6662711 UHWOUMLJAFCPIR-UHFFFAOYSA-N 315.756 3.387 0 40 DGAB O=S(=O)(NCc1ccccc1F)c1ccc2c(c1)CCCC2 7214208 HHKCTXNWKXGTMH-UHFFFAOYSA-N 319.401 3.183 0 40 DGAB CCCOc1ccc(C(=O)NCCc2ccc(OC)cc2)cc1 7668773 LKHVRBUALAQQDU-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB Nn1c(SCc2ccc(Cl)c(Cl)c2)nnc1C1CC1 8011077 JHHFGUXTAQCGFE-UHFFFAOYSA-N 315.229 3.468 0 40 DGAB COc1ccc(OC)c(Nc2nc(-c3ccccc3)cc(=O)[nH]2)c1 8844070 PLDBWBQBZXKUBW-UHFFFAOYSA-N 323.352 3.198 0 40 DGAB Cc1ccc(NC(=O)COc2ccc3c(=O)ccoc3c2)cc1 8867598 HUMYWTIFYBYZAD-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cc2c(cc1Cl)OCCCO2 9690048 MTURMWVWDMGALW-UHFFFAOYSA-N 322.748 3.358 0 40 DGAB CCCOc1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)c1 9780234 ATZGIGYGIUMTOM-HUUCEWRRSA-N 305.374 3.305 0 40 DGAB Cc1ccccc1CSCC(=O)NCCCN1CCCCC1 10276982 CISSILICUZYWPJ-UHFFFAOYSA-N 320.502 3.220 0 40 DGAB Cc1ccc(S(=O)(=O)c2c(C)c(C)n(C(C)C)c2N)cc1 12389924 KOFXGOPKPHAKKC-UHFFFAOYSA-N 306.431 3.409 0 40 DGAB CCCNC(=O)[C@H](C)Sc1nc(/C=C/c2cccs2)n[nH]1 12763160 LVDUDSKUSUFRCZ-FGEFZZPRSA-N 322.459 3.043 0 40 DGAB COc1cc(/C=C/C(=O)N2CCCC[C@H]2C)cc(OC)c1OC 12853476 DMSCVBBJKGNJLK-MMQHEFTJSA-N 319.401 3.127 0 40 DGAB CCC(=O)N(Cc1cc2cc(OC)ccc2[nH]c1=O)C(C)(C)C 13479934 QCEMABUEJJCYBZ-UHFFFAOYSA-N 316.401 3.074 0 40 DGAB O=Cc1cn(CCCC(=O)O)c2ccc(Br)cc12 13609203 KNYMVASEILOBQE-UHFFFAOYSA-N 310.147 3.081 0 40 DGAB O=c1c2cc(OCc3ccccc3F)ccc2nc2n1CCC2 13684697 UISXKODHVWDVIC-UHFFFAOYSA-N 310.328 3.061 0 40 DGAB O=C([C@@H]1CC(=O)N(c2cccc3ccccc23)C1)N1CCCCC1 16544897 ZURHGFZMDAQWGD-MRXNPFEDSA-N 322.408 3.205 0 40 DGAB c1csc(-c2noc([C@H]3CCN(Cc4ccncc4)C3)n2)c1 19344691 TUHRXCRCCADABU-ZDUSSCGKSA-N 312.398 3.183 0 40 DGAB Cc1cccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c1C 19937206 TYLIBEZQLZJHSK-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccccc2C)c1 22518739 FMDNLCVKDYSDQA-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB Cc1nc(C2(NC(=O)c3cc(F)cc(F)c3)CCCCC2)no1 24928676 NDKYKVITUCFYLA-UHFFFAOYSA-N 321.327 3.246 0 40 DGAB Cc1ccc(C(=O)Nc2nc(C)c(-c3nccn3C)s2)cc1 24990970 NHPGTGWGSCXWOC-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCCc1cc(C(=O)Nc2cc(OC)c(Cl)cc2OC)[nH]n1 25601613 HYDQBOOWNDFGMF-UHFFFAOYSA-N 323.780 3.285 0 40 DGAB CCOc1ccc([C@@H](C)N[C@H](C)C(=O)Nc2cc(C)on2)cc1 25900413 XVORWAXCJWZPKL-CHWSQXEVSA-N 317.389 3.060 0 40 DGAB CCc1nnc2n1N=C(c1ccc(C(C)(C)C)cc1)CS2 27751988 OAFVFSOYXPEGKJ-UHFFFAOYSA-N 300.431 3.496 0 40 DGAB CC[C@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221056 OHEIXLBMIIKYCY-DZGCQCFKSA-N 308.853 3.467 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1cccc(F)c1)N2 30540713 XLBVXTSLWJEGSD-MRXNPFEDSA-N 316.332 3.039 0 40 DGAB O=C(NC1=NCCS1)c1ccc(CSc2ccccc2)o1 30805847 OONALGQPYZQQPY-UHFFFAOYSA-N 318.423 3.405 0 40 DGAB CCOc1ccc(OCCNC(=O)NCCC2CCCC2)cc1 31164775 QRZUYXLNULJTPQ-UHFFFAOYSA-N 320.433 3.344 0 40 DGAB CCc1ccc2oc(-c3ccc(C(=O)O)cc3)c(O)c(=O)c2c1 31773434 UAGJSVJCBSXVKK-UHFFFAOYSA-N 310.305 3.426 0 40 DGAB O=C(Nc1ccc(F)cc1)c1c[nH]c2ccc(F)cc2c1=O 32606290 YCNOIZCPECXASA-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CCCCCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 39742408 QKYKOQUYIIJFFU-UHFFFAOYSA-N 306.425 3.344 0 40 DGAB Clc1cccc(N2CCN(CCc3ccncc3)CC2)c1 40161482 YJZZWRBQKFPLCX-UHFFFAOYSA-N 301.821 3.100 0 40 DGAB O=C(O)[C@H]1CCCN1C(=O)Nc1ccc(Cl)c(Cl)c1 40429681 IWKUICDSRFXKRI-SNVBAGLBSA-N 303.145 3.074 0 40 DGAB COc1cc(C)c([C@H](C)NC(=O)OCC(F)(F)F)cc1OC 40556416 HKWKUFZLENXBTL-VIFPVBQESA-N 321.295 3.362 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2[nH]1)Cc1ccccc1 41949091 ZOIDINMJZDRVMF-QGZVFWFLSA-N 321.424 3.071 0 40 DGAB C[C@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H]1CCCO1 42866607 NKTRPMXUSSQDQQ-VXGBXAGGSA-N 319.430 3.178 0 40 DGAB CC(C)(C)OC(=O)NCc1nnc(-c2cccc(Cl)c2)o1 43179042 VWDVFKIXFWQGQT-UHFFFAOYSA-N 309.753 3.415 0 40 DGAB Cc1noc(C)c1CC(=O)NCCc1cccc2ccccc12 46769664 MEDVUBOGZBYVPS-UHFFFAOYSA-N 308.381 3.346 0 40 DGAB Cc1cccc(NC(=O)CC(F)(F)F)c1C(=O)N1CCCC1 46910256 IJVCNFBOOXBCMI-UHFFFAOYSA-N 314.307 3.122 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1ccc(Cl)cc1Cl 48411461 FSPVNEVWLYAUFX-LLVKDONJSA-N 301.217 3.208 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2ccccc2F)cc1OC 49931017 XMNXKGTZWAFANO-UHFFFAOYSA-N 317.360 3.044 0 40 DGAB O=C(Nc1cccc(CN2CCCCC2=O)c1)c1ccccc1 50474811 LCCFLQXUUNZLDG-UHFFFAOYSA-N 308.381 3.451 0 40 DGAB C[C@@H]1C[C@@H](C)CN(c2ccc3nnc(-c4ccccc4)n3n2)C1 54389425 LOFYVEBIMNSJBT-ZIAGYGMSSA-N 307.401 3.274 0 40 DGAB O=C(Cc1ccccc1F)N1CCC(c2ccc(O)cc2)CC1 58144500 LMTPJHBXPUHIOZ-UHFFFAOYSA-N 313.372 3.480 0 40 DGAB CCCc1noc([C@H](C)N2CCO[C@H](c3ccccc3)C2)n1 58248954 OWYAQIIQKBPHEW-ZFWWWQNUSA-N 301.390 3.157 0 40 DGAB CCc1cc2c(N3CCn4c(nc(C)c4C)C3)ncnc2s1 65472918 SRGQCBYGUBEUPA-UHFFFAOYSA-N 313.430 3.087 0 40 DGAB CCOc1ccc(F)cc1NC(=O)c1ccc(C(=O)OC)s1 66494658 LIOBYCSNJGCYAQ-UHFFFAOYSA-N 323.345 3.325 0 40 DGAB O=C(c1cccc2c1OCCO2)N1CCC[C@H]1c1cccs1 67029942 UIEQGRCVSNJIQL-ZDUSSCGKSA-N 315.394 3.497 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)COCC(F)(F)F)cc1C 67678394 JSEIPWQXVAEDAE-JTQLQIEISA-N 320.311 3.093 0 40 DGAB C[C@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1ccncc1 69201207 PQLAYWLXPSHWPQ-AWEZNQCLSA-N 321.384 3.209 0 40 DGAB C[C@H](NC(=O)COCC(F)(F)F)C(C)(C)c1ccccc1 69622093 NYPOFIKRBBPMIF-NSHDSACASA-N 303.324 3.048 0 40 DGAB O=C(c1ccccc1)C1CCN(CC(F)(F)C(F)F)CC1 71907452 KNBNUILGIRIPEA-UHFFFAOYSA-N 303.299 3.482 0 40 DGAB Cc1ccnc(-c2ccc(NC(=O)CC[C@H]3CCCO3)cc2)n1 72285481 CKDGDKXHXIZJQO-MRXNPFEDSA-N 311.385 3.350 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@H]2CCN2c2cccnc2)n1 72384610 QPVNEUIDTSDPGG-CQSZACIVSA-N 324.413 3.332 0 40 DGAB O=C(NC[C@@H](O)c1ccoc1)Nc1ccc(C(F)(F)F)cc1 75172054 NWWOPLUGMIVWOC-GFCCVEGCSA-N 314.263 3.154 0 40 DGAB CO[C@@H]1CCC[C@@H](OC(=O)c2ccccc2-c2cncnc2)C1 76020680 ABXOHOVCEVNNJP-HUUCEWRRSA-N 312.369 3.258 0 40 DGAB COc1ccc(C(C)(C)CNCc2ccccn2)cc1OC 78602419 VSBKOKZTRCHAFY-UHFFFAOYSA-N 300.402 3.166 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C)cc2C)CC1 78701508 XIYKYRFWTRMWIF-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB CC(C)n1cc(CC(=O)NCc2ccncc2)c2ccccc21 79492632 MIULQHKBJWNJIU-UHFFFAOYSA-N 307.397 3.476 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)c1cc(C2CC2)on1 83003497 YDSPZBKADYICNN-GFCCVEGCSA-N 311.385 3.033 0 40 DGAB COc1ccc(-c2nsc(NC(=O)CC(F)(F)F)n2)cc1 83952366 VUMHSPWJSWXPRK-UHFFFAOYSA-N 317.292 3.105 0 40 DGAB O=C(NCCc1ccsc1)Nc1ccc2oc(=O)ccc2c1 84338966 PLOHLAPCRGHGOR-UHFFFAOYSA-N 314.366 3.219 0 40 DGAB CC[C@H](C)[C@H]1CCCCN1C(=O)CCn1c(C)csc1=O 84721672 QZDYCNJHTMDJNN-GXTWGEPZSA-N 310.463 3.036 0 40 DGAB Oc1[nH]c(=S)nc2c1cnn2-c1ccc(Cl)c(Cl)c1 85397986 ZYNKRSYGHDIBFT-UHFFFAOYSA-N 313.169 3.490 0 40 DGAB C[C@@H](NC(=O)Cc1ccc[nH]1)c1cccc(Br)c1 89565676 NAWNQGMCMSCKAU-SNVBAGLBSA-N 307.191 3.197 0 40 DGAB C[C@@H](CCSc1ccccc1)N1CCC(n2cncn2)CC1 89895651 KMVNVFBUVZTAQE-HNNXBMFYSA-N 316.474 3.486 0 40 DGAB O=C(NCCc1cccc(-c2ccccc2)c1)C1CCOCC1 95415648 LRBNRPGPXCHZKD-UHFFFAOYSA-N 309.409 3.439 0 40 DGAB O=C1CCCc2cc(NCc3ccc4c(c3)OCCO4)ccc2N1 95429050 FCIRACNAEAQQLH-UHFFFAOYSA-N 324.380 3.345 0 40 DGAB CCCCS(=O)(=O)Nc1ccc(NCc2ccco2)cc1 95429276 IUZLTIDWMZSZSG-UHFFFAOYSA-N 308.403 3.434 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2nc(Cl)sc2C)cc1 96231846 CBVLIBYUYRWWRU-UHFFFAOYSA-N 309.778 3.316 0 40 DGAB CO[C@@H](CNC(=O)c1cccc(N(C)C)c1)c1cccc(F)c1 96388033 BFAQUELQRJBRBV-KRWDZBQOSA-N 316.376 3.009 0 40 DGAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)Cc2cnn(C)c2)o1 96433295 WQMLSOIBBGTHBF-CZUORRHYSA-N 315.417 3.118 0 40 DGAB COC[C@@H]1CCCN(C(=O)C[C@H](C)c2cccc(OC)c2)C1 96460759 DAKGNGHXKLEDRP-LSDHHAIUSA-N 305.418 3.074 0 40 DGAB FC(F)(F)c1ccccc1[C@H]1CN(C[C@@H]2CCOC2)CCO1 96500914 BBPWKCYBARPHAI-SWLSCSKDSA-N 315.335 3.115 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(C)nc2)cc1OC(C)C 97138126 MDSJKJJGJJMIRZ-UHFFFAOYSA-N 314.385 3.367 0 40 DGAB C[C@H]1CC/C(=C\C(=O)NCc2ccc(OCC3CC3)nc2)C1 98056436 UWFCZPYZKVRLHY-NCPSJORJSA-N 300.402 3.233 0 40 DGAB COc1cc(C(=O)CC(=O)C(F)(F)F)ccc1OC(F)F 100497148 NJSPMWLCXVLORA-UHFFFAOYSA-N 312.190 3.001 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@H]2C32CC2)c1 104600904 BMXJAVIZWRDJMQ-UGQVUOCMSA-N 311.381 3.155 0 40 DGAB O=c1/c(=N\Nc2nc3ccccc3[nH]2)c2cccc3cccc1c32 105499282 IIFCKOCXPSBGTQ-XLNRJJMWSA-N 312.332 3.033 0 40 DGAB CCOC(=O)[C@@H]1CC[C@@H](NCc2ccccc2COC)[C@@H](C)C1 108148987 HLQQCQCOKOEGJJ-HDMKZQKVSA-N 319.445 3.291 0 40 DGAB CCOc1ccccc1N(C)S(=O)(=O)c1ccc(F)cc1 164930636 WVQWSARPOLAKIG-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCC 225131989 MKCMDKRBXWNJAW-QGZVFWFLSA-N 318.461 3.429 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)N[C@H](C)CC 225525221 IXGAKHWIWZPOQC-WBVHZDCISA-N 318.461 3.427 0 40 DGAB CC(C)C(=O)c1ccc([C@@H](C)C(=O)N(C)c2nncs2)cc1 225779838 SWLPYSJDOAKNEB-LLVKDONJSA-N 317.414 3.143 0 40 DGAB C[C@@H]1C[C@H](CC(=O)N[C@H]2CCN(CC3CC3)C2)CC(C)(C)C1 252142003 NIUIYONNBJSBMH-OIISXLGYSA-N 306.494 3.439 0 40 DGAB COc1cccc(CN2CCCC[C@H]2c2ccncn2)c1F 257261371 LHAFHTHXVCBTIC-HNNXBMFYSA-N 301.365 3.352 0 40 DGAB COc1cc(CCN[C@@H]2CCO[C@@H](C(F)(F)F)C2)ccc1C 554361742 HYRHTHWZIRQALS-UKRRQHHQSA-N 317.351 3.246 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCC[C@H](Oc2ccncc2)C1 575605317 JKBSICSUIJLODI-INIZCTEOSA-N 316.788 3.419 0 40 DGAB Cc1nc(COC(=O)[C@H](c2cccc(Cl)c2)N(C)C)oc1C 584908451 FYUBRJWNYSMVOE-HNNXBMFYSA-N 322.792 3.291 0 40 DGAB C[C@H](Cc1cnn(C)c1)c1nc(C2(c3ccncc3)CCC2)no1 656035858 VWQMWAMBVFPIIG-CYBMUJFWSA-N 323.400 3.014 0 40 DGAB Cc1ccc(C(=O)N2CCOC3(CCCCC3)C2)c(F)c1F 1531527265 CWKUOPAIGLUZTA-UHFFFAOYSA-N 309.356 3.449 0 40 DGAB Cc1ccc(Cn2ccn3nc4c(c3c2=O)CCCC4)c(C)c1 2087018065 KPICKXCZHLKVAZ-UHFFFAOYSA-N 307.397 3.040 0 40 DGAB Cc1cccc(C(=O)Nc2sc3c(c2C(N)=O)CCCC3)c1 61432 LXLCGFMIVAOCIO-UHFFFAOYSA-N 314.410 3.287 0 40 DGAB CNC(=O)c1cccc(-c2nc3ccc(C(C)C)cc3c(=O)[nH]2)c1 60797422 SHBHCHOOPWWOJX-UHFFFAOYSA-N 321.380 3.073 0 40 DGAB Cc1cc(C(=O)Nc2nnc(C3CC3)s2)c(C)n1C1CC1 60915328 DTYVWVJCPDNSJR-UHFFFAOYSA-N 302.403 3.421 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1cc(=O)c2ccccc2[nH]1 61196844 VSTZFPGCTYVGRY-UHFFFAOYSA-N 306.365 3.190 0 40 DGAB CC1=C[C@@H](O)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 1637024 MXANCGMHRZANOV-HTQZYQBOSA-N 306.246 3.195 0 40 DGAB CCOC(=O)c1cnc(SC)nc1Nc1ccc(F)cc1 1644810 NYVFFMVVEDWJRK-UHFFFAOYSA-N 307.350 3.258 0 40 DGAB COc1ccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c(OC)c1 3386422 UXTYMWPXBINIIJ-LBPRGKRZSA-N 314.337 3.132 0 40 DGAB Cc1ccc(C(=O)Nc2cccnc2)cc1NC(=O)c1ccco1 12484653 KAAQJUNGSWMYSP-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 7378197 KKDZKENZFSXMGN-UHFFFAOYSA-N 315.438 3.352 0 40 DGAB CC(C)CCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 34198274 KQIDCHVXPYRMQK-RMKNXTFCSA-N 300.446 3.280 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1cccnc1N1CCCC1 24749722 HSSPOTYNBQXIOF-GOSISDBHSA-N 321.424 3.489 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccc(CN2CCC2)cc1 43210889 JVMVFNAWQBHMLC-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB Cc1cnc(C(=O)Nc2ccccc2N2CCCCCC2)cn1 24839772 RPXZHLGEIQKAQD-UHFFFAOYSA-N 310.401 3.418 0 40 DGAB O=C(c1ccccn1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 57129430 XGIHMZDJZSQUMA-UHFFFAOYSA-N 311.772 3.415 0 40 DGAB biogenic COc1ccc2c(CCNC(=O)CCc3ccccc3)c[nH]c2c1 2138951 VEDDCERSOBHEMW-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB biogenic CS(=O)(=O)Cc1ccccc1NC(=O)c1cccc(Cl)c1 58764021 RENSRMUHKWGVCA-UHFFFAOYSA-N 323.801 3.137 0 40 DGAB Cc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)on1 10960008 ZRKLMWYXQWJACP-CQSZACIVSA-N 312.373 3.377 0 40 DGAB CCN1CCN(c2ccccc2NC(=O)Cc2ccccc2)CC1 24067229 OSIUPZFBZGXATM-UHFFFAOYSA-N 323.440 3.010 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)C2CCCC2)c1 48304321 KTIOPUUQIFVHRM-ZDUSSCGKSA-N 302.418 3.021 0 40 DGAB CN(Cc1ccc2ccccc2c1)c1cncc(-n2cccn2)n1 48355477 NIHVHTCCYMAUFY-UHFFFAOYSA-N 315.380 3.452 0 40 DGAB Cn1ccnc1[C@H](NC(=O)CC(C)(C)C)c1ccccc1F 29086359 BQMWDTWVLNLWIR-OAHLLOKOSA-N 303.381 3.201 0 40 DGAB Cc1nc([C@H](C)NC2CCN(c3ccccn3)CC2)cs1 36932241 YWFNTUMGROERIX-LBPRGKRZSA-N 302.447 3.166 0 40 DGAB in-vitro Cc1cc(C)c(CN2C(=O)N[C@@](C)(c3ccco3)C2=O)c(C)c1 60102910 BRKPVOMVTGMZJR-SFHVURJKSA-N 312.369 3.172 0 40 DGAB O=C(COc1nncc2ccccc12)NCCC1=CCCCC1 2660245 AZLWBQPSZAMROK-UHFFFAOYSA-N 311.385 3.015 0 40 DGAB CCOc1ccccc1CN1C(=O)NC2(CCC(C)CC2)C1=O 3458088 HSMNVLLGVMEENZ-UHFFFAOYSA-N 316.401 3.086 0 40 DGAB O=c1c2sccc2ncn1Cc1cc(-c2cccs2)on1 9691287 LISJEPGOYUZOTJ-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB CC(C)c1ccccc1O[C@@H](C)C(=O)NCCCN1CCCC1 20049918 OMCUURKOTONZHX-INIZCTEOSA-N 318.461 3.179 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)c3ccsc3)cn2)C[C@@H](C)O1 65535447 UEUUYNVRFOOQGO-VXGBXAGGSA-N 317.414 3.009 0 40 DGAB Cc1ccc(NC(=O)CSc2ncn(-c3ccccc3)n2)cc1 4656055 HJSLVWXHTIWZCB-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB Cc1nc2ccc(C(=O)OCc3c(C)noc3C)cc2nc1C 6848100 HRONCCHIJMOQLL-UHFFFAOYSA-N 311.341 3.208 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc(CSC)o2)c1 9389949 SBZPOPTYZOTGDZ-UHFFFAOYSA-N 305.355 3.182 0 40 DGAB C[C@H](OC(=O)c1sc2ccccc2c1Cl)C(=O)NC1CC1 5885107 UFRILHGQABWQBN-QMMMGPOBSA-N 323.801 3.379 0 40 DGAB Cn1cc(CNC2CCOCC2)c(-c2cc3ccccc3o2)n1 67220180 WCMPCEWUPLZQQM-UHFFFAOYSA-N 311.385 3.102 0 40 DGAB c1ccc(Cn2cc(CNC3CC3)c(-c3cccnc3)n2)cc1 9417144 ZJPFMZSZKYRFGR-UHFFFAOYSA-N 304.397 3.245 0 40 DGAB Cc1nn(CC(C)C)c(Cl)c1CNCCCOC(C)C 7779652 VNAVLGYVHFBJTP-UHFFFAOYSA-N 301.862 3.406 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2c1 71796625 UYVYFHXOLJOLBM-OAHLLOKOSA-N 309.369 3.452 0 40 DGAB C[C@H]1CN(Cc2ccccn2)CC[C@@H]1NC1Cc2ccccc2C1 96477813 QLFNCIFQMVJQLW-KKSFZXQISA-N 321.468 3.049 0 40 DGAB Cn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccc(F)cc1 8392381 PCMTZUKZEQBYNN-CYBMUJFWSA-N 305.378 3.225 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C2CC2)s1 69483666 QYIMBRGUTYINKI-KBPBESRZSA-N 319.474 3.109 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@H](n2cccn2)C1 69490174 JWBINBNBAXNOSV-MRXNPFEDSA-N 322.368 3.015 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c(C)n1C(C)C 69571192 XQJJNEFLKFVWQZ-ZWKOTPCHSA-N 317.477 3.385 0 40 DGAB c1ccc(-c2nc(CN3CCC[C@@H]3Cn3cccn3)co2)cc1 71875551 PSDQSCFGBGVAKT-QGZVFWFLSA-N 308.385 3.203 0 40 DGAB Cc1ccc(NC(=O)NCCCc2cn[nH]c2C)c(Cl)c1 69701255 RSKXCCXWNOKDBG-UHFFFAOYSA-N 306.797 3.434 0 40 DGAB CO[C@H](C(=O)NCc1ccccc1N1CCCC1)c1ccccc1 83897620 OQFDYMUIHWTPCB-IBGZPJMESA-N 324.424 3.291 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 71910921 SWNCRMNTFYCSNY-FIKIJFGZSA-N 306.387 3.242 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1cccc2cc[nH]c12 97002846 VKFYKSJGFTWMBI-UHFFFAOYSA-N 308.337 3.138 0 40 DGAB COc1ccc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)cn1 72273761 PDIYXKYJAQTRHI-ZDUSSCGKSA-N 317.414 3.223 0 40 DGAB Cc1nc(C)n([C@H]2CCCN(C(=O)c3cc(C)sc3C)C2)n1 72235254 GCHBEXNZFIRBPG-AWEZNQCLSA-N 318.446 3.051 0 40 DGAB CCn1cc(N[C@@H](C)c2nc(-c3ccc(OC)cc3)no2)cn1 97139838 RZXJZXQQWJPNHX-NSHDSACASA-N 313.361 3.135 0 40 DGAB O=C(N[C@H](c1nccs1)C1CC1)N[C@@H]1C[C@@H]1c1ccccc1 110637758 POOKJVNUQORRJW-KFWWJZLASA-N 313.426 3.450 0 40 DGAB COC(=O)c1cc(Cn2ccc(=O)c3sccc32)c(C)s1 89127685 RVCNDCYIWVYPMG-UHFFFAOYSA-N 319.407 3.268 0 40 DGAB CC(C)n1nccc1NC(=O)C[C@@H]1OCCc2ccsc21 89893845 YPUSYQHUUZILEU-LBPRGKRZSA-N 305.403 3.168 0 40 DGAB CC(C)(CNC(=O)N1C[C@H]2[C@@H](C1)C2(C)C)CC1CCOCC1 89917678 ICPXFVVWVPAMIP-GASCZTMLSA-N 308.466 3.127 0 40 DGAB CSc1ccc(CNC(=O)NCc2ncc(C)s2)cc1 76086316 JIIUNVHXOPRBNI-UHFFFAOYSA-N 307.444 3.173 0 40 DGAB Brc1ccc(NCCc2n[nH]c(C3CC3)n2)cc1 62719166 SFOZCINRDQSCRR-UHFFFAOYSA-N 307.195 3.099 0 40 DGAB Cc1c(CCC(=O)Nc2ncc(Cl)cc2Cl)cnn1C 32647642 YNYKJKNOCOXMJV-UHFFFAOYSA-N 313.188 3.002 0 40 DGAB COc1cc2c(cc1O)[C@@H](CCc1ccc(O)cc1)N(C)CC2 3847470 DTOIFYMRBLCQCF-QGZVFWFLSA-N 313.397 3.268 0 40 DGAB biogenic c1cnc(N2CCC[C@H]2c2cccc(Nc3nccs3)n2)nc1 72375293 IPHFHVKYEFGPSB-ZDUSSCGKSA-N 324.413 3.413 0 40 DGAB O=C(CCSc1ccccc1)N1CCC2(CC1)OCCS2 70637266 KBNNGQNEXPTRIY-UHFFFAOYSA-N 323.483 3.251 0 40 DGAB CCOC(C)(C)CNC(=O)Nc1ccc2c(c1)C(=O)CCC2 186687357 FVNJOOJCIVLSEQ-UHFFFAOYSA-N 304.390 3.142 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccc(C)o1)c1ccccc1Cl 30375685 LJKJWLKZNGXOCX-CYBMUJFWSA-N 321.760 3.276 0 40 DGAB CSc1ccnc(NCc2cc(C)nc(N3CCCC3)c2)n1 566326354 OWQXKTZKGHVGDP-UHFFFAOYSA-N 315.446 3.114 0 40 DGAB COc1ccc(F)cc1C(=O)Nc1c(C)nn(C(C)C)c1C 74510593 DUTHZBREYDRAQW-UHFFFAOYSA-N 305.353 3.481 0 40 DGAB CN(C(=O)c1ccc(Br)c(N)c1)C1CCCCC1 40293294 LDABHBNZJQYSQI-UHFFFAOYSA-N 311.223 3.436 0 40 DGAB CC(C)[C@H]1CN(C(=O)c2ncncc2Cl)c2ccccc2N1 85545907 CACXTJNFVAIDDL-CYBMUJFWSA-N 316.792 3.227 0 40 DGAB O=c1c2ccccc2ncn1Cc1csc(Br)c1 47972107 DFSHURIZZPMKQD-UHFFFAOYSA-N 321.199 3.269 0 40 DGAB CCc1cccc(NC(=O)NC[C@H](O)c2ccccc2F)c1 40098793 LSHQOMCJZWAUFW-INIZCTEOSA-N 302.349 3.243 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCc1ccc(OC)cc1 44844351 RSXCCFOUSCMDKD-KRWDZBQOSA-N 313.397 3.477 0 40 DGAB CCNC(=S)Nc1ccc(Oc2ccccc2OC)nc1 223869009 SCOQGQYVHOTOIL-UHFFFAOYSA-N 303.387 3.189 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1 195542364 SFKVFPDMRHAPAT-XIRDDKMYSA-N 324.428 3.040 0 40 DGAB COc1ccc(C(=O)NCCCN2CCc3ccccc32)cc1C 225581511 CNQRKWFYTPMTLV-UHFFFAOYSA-N 324.424 3.186 0 40 DGAB Cc1ccsc1C(=O)N1CCN(c2ccncc2Cl)CC1 96484446 ZULZLSABMYBYDD-UHFFFAOYSA-N 321.833 3.067 0 40 DGAB C[C@@](O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccsc1 96450393 IOZBTRXENDTRRS-GFCCVEGCSA-N 319.213 3.021 0 40 DGAB CC(=O)N1C[C@@H](C)CN(C(=O)c2cccs2)c2ccccc21 96432626 GWHLLVXXNCBJPV-GFCCVEGCSA-N 314.410 3.398 0 40 DGAB C[C@H]1CCCN(C(=O)CCn2ncc3ccc(Cl)cc32)C1 96181997 MHPAIZJRHQAGGF-LBPRGKRZSA-N 305.809 3.338 0 40 DGAB O=C(CCc1ccccc1)N1CCC[C@H](Cc2ccccn2)C1 257252750 JWAIVVDGLDMEPC-GOSISDBHSA-N 308.425 3.496 0 40 DGAB O[C@@H](c1nc(-c2cc(Br)cs2)no1)C1CCC1 585133907 ZMDHFFUPBKMHQV-SECBINFHSA-N 315.192 3.394 0 40 DGAB CCCN(CCC)c1nn(-c2ccc(C)cc2C)nc1C(=O)O 256048924 XBZBJUCVHSYBQD-UHFFFAOYSA-N 316.405 3.209 0 40 DGAB CC(C)(C)SCCN1CCC[C@@H](CNC(=O)C(C)(C)C)C1 252478504 AOGJBFMMWKUZDP-AWEZNQCLSA-N 314.539 3.392 0 40 DGAB CC(C)(C)Cc1nc2cc(NC(=O)C3(C(=O)O)CC3)ccc2o1 262199667 IATPETSSKUXJDQ-UHFFFAOYSA-N 316.357 3.220 0 40 DGAB CO[C@@](C)(CNC(=O)NCc1cccs1)c1ccccc1F 96123656 JZZBYYFCEZFXOQ-INIZCTEOSA-N 322.405 3.248 0 40 DGAB C[C@@H](Sc1nnnn1CC(F)(F)F)c1ccccc1F 69351349 NIMDVAWYUSQWMW-SSDOTTSWSA-N 306.288 3.228 0 40 DGAB Cc1ccc([C@H](C)NC(=O)Nc2cccnc2N2CCCC2)o1 48171992 HYSSRTAKZSUBEM-ZDUSSCGKSA-N 314.389 3.466 0 40 DGAB COc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)c(OC)c1 59472453 FIUYFKQRMAVFQF-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Sc1ccccc1 15653339 NMOJSIWDDAOYNM-ZDUSSCGKSA-N 301.411 3.492 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2oc3ccccc3c2N)cc1 19772574 JPXBBHJONVUVEV-UHFFFAOYSA-N 324.336 3.444 0 40 DGAB CCOc1ccc(-c2nc3ccc(C(=O)O)cc3[nH]2)cc1OC 19943855 LHXUAWIXLPPKEF-UHFFFAOYSA-N 312.325 3.335 0 40 DGAB CCCCCCC1(C/C=C(\C)Cl)C(=O)NC(=S)NC1=O 5524213 KPAIANDMGNWJPK-JXMROGBWSA-N 316.854 3.007 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@H](C)OC(=O)c1ccccn1 5060454 WIORPMQMZNTSQU-LBPRGKRZSA-N 308.337 3.300 0 40 DGAB c1ccc(N2C[C@@H]3CCN(c4nc5ccccc5s4)[C@@H]3C2)nc1 1889191967 FVVJBGZQRFIBOE-DZGCQCFKSA-N 322.437 3.406 0 40 DGAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1cccc(F)c1 7006569 UWXGAPFDHFLQFA-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB CC(C)COC(=O)NCCOC(=O)Nc1cccc(Cl)c1 2269621 KKCXNJRGKOAZPQ-UHFFFAOYSA-N 314.769 3.271 0 40 DGAB biogenic CCOc1ccc(NC(=O)C2SCSCS2)cc1 114500 MKWQHADSORIZPG-UHFFFAOYSA-N 301.458 3.478 0 40 DGAB O=S(=O)(c1cccs1)N1CCCc2cc(F)c(F)cc21 31669768 AYQNDFNHIIZJSN-UHFFFAOYSA-N 315.366 3.168 0 40 DGAB CCCc1nn(C)c(C(=O)Nc2ccc(OC)cc2)c1Cl 385505 VGZYCJOQFZHISQ-UHFFFAOYSA-N 307.781 3.287 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2ccccc2C)c1 105813 YPARMMYGWPQFIT-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CSc1nsc(SC)c1C(=O)OCC(F)(F)F 1022845 ZZPYXHXXYFHVSC-UHFFFAOYSA-N 303.352 3.306 0 40 DGAB COC(=O)c1cc(C)nc2c1c(C1CC1)nn2-c1ccccc1 2741189 JJNWENYTFYPJLJ-UHFFFAOYSA-N 307.353 3.393 0 40 DGAB Cc1ccc(C(=O)CSc2nnc3nc(C)cc(C)n23)cc1 3223252 MRQVNWATJYWBQG-UHFFFAOYSA-N 312.398 3.025 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COC(=O)c1ccccc1 3398626 DAJLTPLZHLMMJY-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cc1cc(C)cc(CN2C(=O)N[C@](C)(c3ccccc3)C2=O)c1 3460889 NUJBFVZYHPJIOJ-LJQANCHMSA-N 308.381 3.271 0 40 DGAB CSCCCNC(=S)Nc1cccc(Br)c1 3504493 FPIVBDZHMMSMHA-UHFFFAOYSA-N 319.293 3.489 0 40 DGAB Cc1cc(C(=O)COC(=O)c2cccc(O)c2)c(C)n1C1CC1 3511802 QJMIMYYPVDGUGE-UHFFFAOYSA-N 313.353 3.185 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104648 GJIBJVBLAWRXQL-LFZGFYNSSA-N 316.441 3.448 0 40 DGAB biogenic,in-vitro COCCSc1nnc(NC(=O)c2ccc(C)c(C)c2)s1 4510423 MKWKKTAGBUQQIM-UHFFFAOYSA-N 323.443 3.146 0 40 DGAB CCCC(=O)N1CCN(c2nc3ccc(CC)cc3s2)CC1 5181022 GRJOCIDTRFMOHM-UHFFFAOYSA-N 317.458 3.307 0 40 DGAB COc1ccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)cc1 5440636 IXZYDFINKPZFSL-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB COC(=O)[C@@H](C)Sc1nc(C)cc(Nc2ccccc2)n1 5739967 SJXXYQOBMOLQOA-LLVKDONJSA-N 303.387 3.182 0 40 DGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)N[C@@H](C)c1ccccc1 6255895 ANNPGPOLAVXWTI-GOEBONIOSA-N 318.417 3.121 0 40 DGAB COc1cc(C(=O)Nc2nc3ccccc3[nH]2)cc(OC)c1C 6506368 JJSQWHOTIFTVLG-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cccc(F)c1F)S[C@@H](C)C(=O)N2 6678405 BYQGGMYRWNMCFL-JVXZTZIISA-N 309.341 3.160 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 6764181 ZXYCTPSKEGEKRP-NXEZZACHSA-N 318.295 3.226 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2OC)cc1 6953316 DCNPHIYLMRIACP-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB CCc1ccc(-c2noc(CSc3cccc[n+]3[O-])n2)cc1 6988577 PENBLZWHKFKUMD-UHFFFAOYSA-N 313.382 3.225 0 40 DGAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1ccsc1 8312521 GAGKXBLHGCENQK-UHFFFAOYSA-N 318.446 3.130 0 40 DGAB CC(C)Cn1c(-c2ccc(F)cc2)cnc1S[C@@H](C)C(N)=O 9115812 GCFWQTPQKSXNPZ-NSHDSACASA-N 321.421 3.311 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(CSC)o2)c1 9386876 LATPYWHABMNJNA-UHFFFAOYSA-N 319.382 3.490 0 40 DGAB COc1cccc([C@H]2CCCN2CC(=O)NCc2ccccc2)c1 10226048 CWYUREIJTAPVFV-LJQANCHMSA-N 324.424 3.149 0 40 DGAB COc1ccc(OCC(=O)N[C@H](c2cccs2)C2CC2)cc1 11282010 VDMAXFFYGJCOQY-KRWDZBQOSA-N 317.410 3.403 0 40 DGAB Cc1cccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1 11915419 AUKQGOZMABDOPV-GFCCVEGCSA-N 300.358 3.125 0 40 DGAB Cc1ccc(C)c(NC(=O)c2nn(-c3ccccc3)ccc2=O)c1 12062447 DORYLQZPFIFLMJ-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB Cc1nc2ccc(C(=O)NCCCc3ccccn3)cc2s1 12148606 OXCQEDFMAZMBNL-UHFFFAOYSA-N 311.410 3.362 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)N2CCCCCC2)cc1C 12291772 MKAVORVIZRXJKZ-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB CC(C)c1ccc(CCNC(=O)c2cc([C@H](C)O)c[nH]2)cc1 12809091 NFKTXWVQAJVKHE-ZDUSSCGKSA-N 300.402 3.164 0 40 DGAB Cn1cc(C(=O)O[C@@H](C(=O)c2ccccc2)c2ccccc2)cn1 12848816 WAZSSLFKHWQTSM-GOSISDBHSA-N 320.348 3.201 0 40 DGAB Fc1cccc(-c2nnn(Cc3cc(-c4ccccc4)no3)n2)c1 12948301 CYFJVSOTZXRYMB-UHFFFAOYSA-N 321.315 3.183 0 40 DGAB Cc1cc(C)c(NC(=O)CCNC(=O)c2cccs2)c(C)c1 12975516 RRQAOGAZKYEYQE-UHFFFAOYSA-N 316.426 3.432 0 40 DGAB O=C(NCc1ccc(C(=O)O)cc1)Nc1ccccc1Cl 13737065 BCHPGHZLOAFEHO-UHFFFAOYSA-N 304.733 3.360 0 40 DGAB CCCCC(=O)Nc1nnc(CCc2ccc(OC)cc2)s1 13856320 LJBYBKZIUPEZGV-UHFFFAOYSA-N 319.430 3.461 0 40 DGAB C[C@H]([C@H](O)c1ccccc1)N1CC[C@@H](Nc2ccccc2)CC1=O 16698029 YKGWVPYIUSCMSX-ZTNFWEORSA-N 324.424 3.212 0 40 DGAB COc1ccc(CNC(=O)c2ccccc2SC)cc1OC 17298694 PXUNPGCRQPFGEC-UHFFFAOYSA-N 317.410 3.356 0 40 DGAB CCc1ccc(-c2nn(-c3ccccc3)cc2CNCCO)cc1 17309900 QSGBPOMRKZGEFF-UHFFFAOYSA-N 321.424 3.184 0 40 DGAB CNc1cc(C[C@H](NC(C)=O)c2cccc(C)c2)nc(C2CC2)n1 19234469 OGDDGNMTPPGNNB-KRWDZBQOSA-N 324.428 3.124 0 40 DGAB CC[C@H](C(=O)OCc1nc(-c2cccnc2)no1)c1ccccc1 21328777 JIHUZPZGENNKFL-HNNXBMFYSA-N 323.352 3.369 0 40 DGAB Cc1ccnc(NC(=O)CCc2cnn(-c3ccccc3)c2)c1 21893255 HEJRBTVEKRJSFD-UHFFFAOYSA-N 306.369 3.147 0 40 DGAB CCN1CCc2nc(NC(=O)c3cc(C)ccc3C)sc2C1 25572654 LISCTMWQYFQGIO-UHFFFAOYSA-N 315.442 3.390 0 40 DGAB C[C@H]1CCCC[C@@H]1N(C)S(=O)(=O)c1ccc2c(c1)CCC2 28044304 USHSYEOFUCCNLD-GUYCJALGSA-N 307.459 3.375 0 40 DGAB O=C(N[C@H](c1cccs1)C1CCCC1)c1ccc[n+]([O-])c1 32398291 KGKNJJDPBNUVNN-HNNXBMFYSA-N 302.399 3.043 0 40 DGAB Cc1cc(C(=O)Nc2cc(S(C)(=O)=O)ccc2C)c(C)s1 32739342 KLUMSKKHJKSFKY-UHFFFAOYSA-N 323.439 3.329 0 40 DGAB CC(=O)c1ccc(N2C(=O)C[C@@H](c3ccc(F)cc3)C2=O)cc1 32900786 PQOVSLNMJNMRPO-INIZCTEOSA-N 311.312 3.075 0 40 DGAB CC[C@@H](NC(=O)[C@H]1CCCO1)c1ccc(Br)cc1 36063522 CEDNUWDZFYOVCB-CHWSQXEVSA-N 312.207 3.195 0 40 DGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)C1CCNCC1 37009936 OAJZPNFYMVCEGG-UHFFFAOYSA-N 306.715 3.297 0 40 DGAB O=C(CCOc1ccccc1Cl)Nc1cccc(CO)c1 38003677 PYYWHNKPBUFMKS-UHFFFAOYSA-N 305.761 3.240 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2C)C1 39918123 YZYQWQOZQKMGER-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 40088035 DTYOGNSYCKPYTL-SJKOYZFVSA-N 312.344 3.196 0 40 DGAB C[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1cccs1 40523418 VCKICGILYLFVEG-LLVKDONJSA-N 316.382 3.196 0 40 DGAB CCN(CC)c1ccc(CNC(=O)CCc2ccsc2)cn1 40541004 SWSLOQMEJHCUQB-UHFFFAOYSA-N 317.458 3.238 0 40 DGAB CCOc1ccc(C)cc1S(=O)(=O)N(C)C1CCCCC1 41095633 NPAZQGVNRHFNFZ-UHFFFAOYSA-N 311.447 3.347 0 40 DGAB c1ccc(-n2ncc3c(NC4CCCCCC4)ncnc32)nc1 41529108 KKQKZFWBZXGWOW-UHFFFAOYSA-N 308.389 3.345 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2COc3ccccc3O2)cc1 42161859 HXIPQTIRBHIGSZ-ACJLOTCBSA-N 311.381 3.266 0 40 DGAB CN(C(=O)CCn1c(=O)oc2cc(Cl)ccc21)C1CCCC1 44890238 NDAFFCCZZONMDR-UHFFFAOYSA-N 322.792 3.039 0 40 DGAB Cc1ccccc1NC(=O)NCCCN(C)CC(F)(F)F 45949721 WNFNCUNUDHKAET-UHFFFAOYSA-N 303.328 3.001 0 40 DGAB COc1ccc(CN(C)Cc2noc(C(C)(C)C)n2)cc1OC 46055523 ZETSSSYYHLXVPC-UHFFFAOYSA-N 319.405 3.016 0 40 DGAB Nc1cc(Nc2cccc(C(=O)O)c2)nc(-c2ccccc2F)n1 49467903 NSDNQOVMFZUEHV-UHFFFAOYSA-N 324.315 3.307 0 40 DGAB Cc1nnc(SCc2noc(C3CC3)n2)n1-c1ccccc1 52888905 PRVVNZUMMDKGLC-UHFFFAOYSA-N 313.386 3.128 0 40 DGAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@H]1CCCO1 53423952 KMHKHKSLRWQVQS-SMDDNHRTSA-N 316.426 3.475 0 40 DGAB Fc1cccc2ncnc(NCc3ccc(N4CCCC4)nc3)c12 54057472 QPNNDOMLFJWFLL-UHFFFAOYSA-N 323.375 3.376 0 40 DGAB COCCn1cc(NC(=O)N(CC2CCCCC2)C2CC2)cn1 56636975 OUUCFHHMACSOFV-UHFFFAOYSA-N 320.437 3.106 0 40 DGAB COc1ccc2c(CN(C)Cc3ccsc3)cc(=O)oc2c1 57395594 APRKQCWGGCCQML-UHFFFAOYSA-N 315.394 3.495 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)CCNC(C)=O)c(C)c1 58305726 OKCHHDVKVXFOAZ-GFCCVEGCSA-N 308.447 3.350 0 40 DGAB Cc1ccc(I)c(C(=O)NC(C)(C)C)c1 65595704 FHTVKYLGULAMPL-UHFFFAOYSA-N 317.170 3.128 0 40 DGAB O=C(c1cnc(-c2ccccc2)nc1)N1CCc2sccc2C1 67658729 MVGUFKKXSPGQOA-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB CC(C)c1ccc(C[S@](=O)[C@H](C)C(=O)NC(C)(C)C)cc1 69460438 FFAVBKROQNGAJB-LRTDBIEQSA-N 309.475 3.362 0 40 DGAB CCCCCC[C@@H](CC)C(=O)NCCc1nnc2ccccn12 71909729 HDYBQCJYPHWEDH-OAHLLOKOSA-N 316.449 3.385 0 40 DGAB Cc1ncsc1CN(C)Cc1nnc(-c2cccs2)o1 71910867 GNFXRFOJNAFPCX-UHFFFAOYSA-N 306.416 3.195 0 40 DGAB COc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C)cc2)cc1Cl 72227895 UYSUITJIZRLCAG-HOTGVXAUSA-N 316.788 3.072 0 40 DGAB CCc1ncc2c(n1)CN(Cc1coc(-c3ccccc3)n1)CC2 72268487 ZDAPPGAHMPRBTL-UHFFFAOYSA-N 320.396 3.252 0 40 DGAB C[C@@H](CCc1ccccc1)CC(=O)NC[C@H]1CCCN(C)C1 72273290 JUQJOOCKDTUXNX-FUHWJXTLSA-N 302.462 3.103 0 40 DGAB CCN(C(=O)COc1cccc([C@H](C)O)c1)C1CCCCC1 72313879 ZZMXSVYPDHKOIO-AWEZNQCLSA-N 305.418 3.300 0 40 DGAB Cc1cc(Br)c(C)c(S(=O)(=O)NC(C)C)c1C 72414514 LBWUPVZQNPWQJS-UHFFFAOYSA-N 320.252 3.061 0 40 DGAB COc1cc(C)c(C(C)C)cc1S(=O)(=O)Oc1ccccn1 72414653 VVMUOHCTCXFICD-UHFFFAOYSA-N 321.398 3.290 0 40 DGAB Cc1ccccc1CN(C)C(=O)[C@@H](C)SC1=NCCS1 73573464 VNFBCHQAYIWTML-GFCCVEGCSA-N 308.472 3.178 0 40 DGAB CCn1nc(C)cc1C(=O)NCC[C@@H](C)c1ccc(OC)cc1 76022005 SIWJISCPLZKPPP-CYBMUJFWSA-N 315.417 3.144 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@@H]2c2noc(C)n2)c(C)o1 76043404 FZFALAOPYHXNQC-QMTHXVAHSA-N 303.362 3.055 0 40 DGAB Fc1ccc(F)c(CNC2CCN(c3ccccn3)CC2)c1 78969061 DHXOWQBYEIXBIR-UHFFFAOYSA-N 303.356 3.118 0 40 DGAB O=C(Cc1ccon1)N(CCC(F)(F)F)C1CCCCC1 84568519 VIAJNEXAVOMRRB-UHFFFAOYSA-N 304.312 3.331 0 40 DGAB CSCc1cc(F)ccc1CNC(=O)c1oc(C)nc1C 87435648 CRGBPYDDSXHDOO-UHFFFAOYSA-N 308.378 3.224 0 40 DGAB c1nc(N[C@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2n1 89885393 VXUJJNPBNNVUJR-HZMBPMFUSA-N 307.444 3.158 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2N[C@@H]1CCSc2ccccc21 90223340 SMMBBKWJKCKNOV-KGLIPLIRSA-N 300.431 3.248 0 40 DGAB CC(C)c1ccc2c(c1)[C@@H](NC[C@H]1CCS(=O)(=O)C1)CCC2 90401304 PSZNKNJIHCCLST-KDOFPFPSSA-N 321.486 3.212 0 40 DGAB CCc1oc(C(=O)O[C@H](c2cnn(C)c2)C(F)(F)F)cc1C 95415219 FNWCMFVNNLKXSX-GFCCVEGCSA-N 316.279 3.344 0 40 DGAB CC[C@@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1 95995204 KRTRUOOFQRWOKR-ZIAGYGMSSA-N 305.422 3.178 0 40 DGAB O=C(CSc1ccccc1)Nc1cc(-c2cccnc2)no1 96184008 QFSOENKOSYGYTL-UHFFFAOYSA-N 311.366 3.467 0 40 DGAB COCc1csc(NC(=O)CCn2ccc3ccccc32)n1 96406440 NZMHPTPGHGWLBN-UHFFFAOYSA-N 315.398 3.273 0 40 DGAB C[C@H]1COc2ccccc2N1C(=O)Cc1noc2ccccc12 96443208 VSIFWRMMYYOQHP-LBPRGKRZSA-N 308.337 3.184 0 40 DGAB Cc1cccc([C@@H](C)[S@@](=O)CC(=O)N2CCCCCC2)c1 96448146 BLKUTLMLBVEBMO-QVKFZJNVSA-N 307.459 3.207 0 40 DGAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@H]1CCSC1 96499649 OVWNRSAXHPOXHO-KWQFWETISA-N 307.385 3.218 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ncccc2C)o1 97094835 QFMUROFGKKSWLE-AWEZNQCLSA-N 315.373 3.498 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2nc(C)c(C(=O)O)s2)ccc1F 97235312 QCDWOPLGFPVXSC-SECBINFHSA-N 322.361 3.088 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)[C@H]1C[C@H]2CC[C@H]1C2 106150966 MSXJMLGAEHZTPB-ZOBUZTSGSA-N 309.413 3.233 0 40 DGAB O=C(NCc1ccc2c(c1)OCCCO2)N1Cc2ccccc2C1 106270104 LDHADHFQDNEIJJ-UHFFFAOYSA-N 324.380 3.073 0 40 DGAB CC[C@@H]1CC[C@@H](C)N1CC(=O)N[C@H](C)c1ccccc1OC 108160017 FSOYWSRXIMLBTH-RBSFLKMASA-N 304.434 3.135 0 40 DGAB C[S@](=O)C[C@@H](NCc1cccc2[nH]ccc12)c1ccccc1 154694669 XQWXQGFOMPRAOV-XMSQKQJNSA-N 312.438 3.377 0 40 DGAB COC(=O)c1cccc(-c2noc(-c3sc(C)nc3C)n2)c1 174867559 UGFVLSWYFGKQJK-UHFFFAOYSA-N 315.354 3.264 0 40 DGAB O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccco1 195560597 UZMCAPVSEXKTNH-FUHWJXTLSA-N 312.344 3.226 0 40 DGAB C[C@H](CNC(=O)CCc1ccc2c(c1)OCO2)c1ccccc1 198911701 UMZMCGHODVYAQT-CQSZACIVSA-N 311.381 3.268 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(OC)c(C)c1 222869403 WROBZFGPCZEMLI-KRWDZBQOSA-N 318.461 3.388 0 40 DGAB COc1cccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)c1 225100179 RXPIKIIFALAGEZ-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB Cc1ccc(CSc2nnc(Cc3ccccc3)n2N)cc1 226299222 SXGWKPSFBWAAOA-UHFFFAOYSA-N 310.426 3.183 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)s1 257213556 CIBLRMRMFRAKSD-CQSZACIVSA-N 315.442 3.193 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H]3c3cnccn3)coc2c1 257304047 SJWQVJOZOABDJU-QGZVFWFLSA-N 321.380 3.437 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(Cc3ccnn3C(C)C)C2)c1 257318506 VOFVLJMUDWPYRX-OAHLLOKOSA-N 313.449 3.199 0 40 DGAB O=C(COc1cccnc1)N[C@H]1[C@H](c2ccccc2)[C@H]2CCC[C@H]21 409412772 BMHZSLIFIFQJAZ-ONCXSQPRSA-N 322.408 3.159 0 40 DGAB C[C@@H]1C[C@H](c2ccc(F)cc2)CN1Cc1ccc(C(=O)O)cn1 576761286 GZYCDOOKTJLWFH-DOMZBBRYSA-N 314.360 3.297 0 40 DGAB O=S(=O)(NC[C@@H]1C[C@H]1C1CCC1)c1cc2ccccc2o1 579705009 HEMVMTNZXJEJMY-KBPBESRZSA-N 305.399 3.147 0 40 DGAB Cc1ccnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)n1 1775972587 LVLRJGGYUXRESP-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB Cc1ccc2nc(N3CC[C@H](C(=O)NC(C)(C)C)C3)sc2c1 1889119419 XWKIXIIHSDIFMN-LBPRGKRZSA-N 317.458 3.346 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F 533201 OIIMTKPCIMDMKZ-ZDUSSCGKSA-N 308.353 3.164 0 40 DGAB O=C(c1ccc[nH]1)N1CCO[C@H](c2ccccc2C(F)(F)F)C1 97081819 YAVDJKBOJXCUFD-AWEZNQCLSA-N 324.302 3.247 0 40 DGAB COc1ccc2c(c1)[C@](O)(CN)CCCC[C@@H](OC)CCCC2 1584365 SKTRNYRPGRIKCS-QFBILLFUSA-N 321.461 3.143 0 40 DGAB COc1ccc([C@H](CC(=O)O)c2ccc(OC)cc2OC)cc1 1713898 BQMZZINBFRGOPA-INIZCTEOSA-N 316.353 3.319 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)Cc1cccc(F)c1 22518310 GCDJANIXFJXACU-UHFFFAOYSA-N 315.344 3.113 0 40 DGAB Cc1cccc([C@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 4317906 NJUZDPBBADQQCB-CQSZACIVSA-N 320.439 3.167 0 40 DGAB COc1cc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc(OC)c1OC 104751089 RBEILHYNLUACHI-RWMBFGLXSA-N 319.401 3.477 0 40 DGAB CCOc1ccccc1CNC(=O)COc1ccc(Cl)cc1 20040063 FWYOXCBXTJGMQB-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB O=C1c2ccccc2N[C@H](c2csnn2)N1c1ccccc1 54680032 OQWYLAKBBRPECI-HNNXBMFYSA-N 308.366 3.309 0 40 DGAB CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@@H](O)C1 47759661 RIDFQFBRVMKKEK-GFCCVEGCSA-N 312.797 3.117 0 40 DGAB CC1CCN(CCCCNC(=O)NCc2ccc(F)cc2)CC1 43026089 DDZPATALQFEIDC-UHFFFAOYSA-N 321.440 3.137 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1cc(C(=O)O)ccc1Cl 8429433 OBVSPSWVHUVFRV-UHFFFAOYSA-N 322.748 3.214 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1ccccc1F)c1ccsc1 24741351 UOURWUDWYUKGMM-CQSZACIVSA-N 307.394 3.312 0 40 DGAB CN(C)C(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 24928188 GDWTUTPVCMYRIO-UHFFFAOYSA-N 315.373 3.442 0 40 DGAB NC1=Nc2nc3ccccc3n2[C@H](c2cccc3ccccc23)N1 1408234 QSKJRHOGEDXIMR-QGZVFWFLSA-N 313.364 3.286 0 40 DGAB Cc1ccc(NC(=O)COc2ncnc3ccccc23)cc1C 3258716 WCHVFQMGRDCZTO-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB Cc1cccc(Nc2nnc(S[C@H]3CCOC3=O)s2)c1C 3255734 YQRKJAZNVZEZDA-NSHDSACASA-N 321.427 3.306 0 40 DGAB CCC[C@@H]1C[C@@H](C(=O)N(CC2CC2)c2cccnc2)CCO1 97054935 KKODXISEDICYNH-DOTOQJQBSA-N 302.418 3.420 0 40 DGAB COc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)cc1 1977377 GJFJUDKGVBNQPO-NSHDSACASA-N 317.316 3.018 0 40 DGAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)cc2C)cc1 2087825 CYVZVPNXIODMFP-UHFFFAOYSA-N 319.382 3.030 0 40 DGAB Cc1c(C(=O)N2c3ccccc3C[C@@H]2C)[nH]c2c1C(=O)CCC2 44715619 IFDHNPLEYJBZHP-NSHDSACASA-N 308.381 3.434 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(C)(C)CNC(=O)CCc2ccccc2)C1 58172960 BWFNPYRZAOGDNH-IAGOWNOFSA-N 316.489 3.492 0 40 DGAB CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nc2ccccc2o1 58244452 DYDBQWHMQWSAAJ-UHFFFAOYSA-N 320.352 3.091 0 40 DGAB COc1ccc(NC(=O)N2CC[C@H](Nc3ccccc3)C2)cc1 58232180 QJBFURUQOHYDNV-INIZCTEOSA-N 311.385 3.414 0 40 DGAB CCOc1ccc(-c2cc(C(=O)NCc3ccncc3)no2)cc1 27747350 UBMITYSYURPUQL-UHFFFAOYSA-N 323.352 3.065 0 40 DGAB O=S(=O)(N[C@H]1CCSc2c(F)cccc21)c1ccccc1 12735177 ASPNMYGVHCQHMF-AWEZNQCLSA-N 323.414 3.341 0 40 DGAB CNc1snc(C)c1C(=O)N[C@@H](C)c1ccc(OC)c(F)c1 28027190 UKLHNPLZDJUTGJ-QMMMGPOBSA-N 323.393 3.132 0 40 DGAB CCn1c2c(c(SCc3ccc(F)cc3)nc1=O)CCC2 28286956 HOYQDQQHBALBEA-UHFFFAOYSA-N 304.390 3.183 0 40 DGAB O=C(c1ccc(Cn2cccn2)cc1)N1CCc2sccc2C1 10924836 NHNIKAMOFCCBNL-UHFFFAOYSA-N 323.421 3.191 0 40 DGAB CCCCc1ccc(NC(=O)Cn2nnc3ccccc32)cc1 2570703 DIQCFLAFSDFFMC-UHFFFAOYSA-N 308.385 3.413 0 40 DGAB COc1ccc(NC(=O)COC(=O)CCC2CCCC2)cc1 3403108 QVJQHLCWZZVCFN-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB Cc1cn2c(CN3CCCC[C@H]3c3ncc[nH]3)c(C)nc2s1 92729732 KYOQSQADDJDZHZ-ZDUSSCGKSA-N 315.446 3.463 0 40 DGAB CCCCC(=O)Nc1nc(-c2c[nH]c(C(=O)OC)c2)cs1 12919099 FZCYMWUINNQFRV-UHFFFAOYSA-N 307.375 3.054 0 40 DGAB C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccc(-n2cncn2)cc1 48683500 DMOBTBUAEYXRBY-AWEZNQCLSA-N 324.432 3.070 0 40 DGAB Cc1nc2c3ccccc3nc(S[C@H]3CCCCC3=O)n2n1 13228769 PGQYSJGCKBAQKJ-AWEZNQCLSA-N 312.398 3.190 0 40 DGAB C[C@@H](OCC1CC1)C(=O)Nc1cc(Cl)c(N)c(Cl)c1 49136872 ONNXTEIBVZTJJI-SSDOTTSWSA-N 303.189 3.329 0 40 DGAB CCCCOc1ccc(S(=O)(=O)Nc2ccccn2)cc1 4148004 XDFPREFRHKFXHL-UHFFFAOYSA-N 306.387 3.061 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1coc(-c2ccccc2)n1 14185267 FEIFSNARJBZEKH-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB Cc1ccc2c(c1)C1(OCCCO1)C(=O)N2Cc1ccccc1 4511533 ZZTYDGOYBCOKKF-UHFFFAOYSA-N 309.365 3.132 0 40 DGAB CCN(CC)S(=O)(=O)c1cccc(NC2=NCCCCC2)c1 5568039 OZRQIATWUAJNHF-UHFFFAOYSA-N 323.462 3.102 0 40 DGAB C[C@@]1(c2ccc(Br)cc2)NC(=O)c2ccccc2N1 66132133 RLNYEGKEDRJIFL-HNNXBMFYSA-N 317.186 3.477 0 40 DGAB CC[C@@H](C)N(C)CCNC(=O)N(C)[C@@H](C)c1ccc(C)cc1 66196965 XLWASFMLSARGGW-CVEARBPZSA-N 305.466 3.428 0 40 DGAB CCCCn1c(C)c(C)c2c(=N)n(-c3nccs3)cnc21 6669797 IPOZSJSOBOWSCT-UHFFFAOYSA-N 301.419 3.180 0 40 DGAB Cc1nnc(NC(=O)Cc2cccc(C(F)(F)F)c2)s1 14715838 FVVPGMBQDIYROR-UHFFFAOYSA-N 301.293 3.047 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2C)c1 9316023 CSTDXCDOUXHXMO-UHFFFAOYSA-N 301.317 3.481 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1F 8259570 DIPKIZRITRKLRS-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1sccc1C1CC1 69455672 YHKWPELUJJITLL-GJZGRUSLSA-N 304.459 3.324 0 40 DGAB Cn1cc(-c2cncc(C(=O)Nc3ccc(Cl)cc3)c2)cn1 69780590 QZMGVGWZYOYGGY-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB COc1ccc([C@@H]2CCCN2Cc2ncc(Cl)n2C)cc1 71885725 YVKBSGAQJSNHKR-AWEZNQCLSA-N 305.809 3.419 0 40 DGAB c1cncc(-c2n[nH]cc2CN[C@@H]2CCc3ccccc3C2)c1 84581797 RHAMIAULPNZTLT-GOSISDBHSA-N 304.397 3.119 0 40 DGAB O=C(NCCc1cccc2ccccc12)c1cnc2nc[nH]c2c1 95449057 YHXUWGLJGVJXPC-UHFFFAOYSA-N 316.364 3.084 0 40 DGAB Cc1ccc(OCc2nc(CNC[C@H]3CCCO3)cs2)cc1 73696969 IFWDZTGKFMTLJZ-MRXNPFEDSA-N 318.442 3.299 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc2ncccc2c1)c1ccccc1 95959430 PGCVGOSQMWNAHM-QGZVFWFLSA-N 320.348 3.181 0 40 DGAB COc1cc(/C=C/c2nc(-c3ccccc3O)n(C)n2)ccc1O 9927366 IWYKXAOOIQBTJD-CSKARUKUSA-N 323.352 3.072 0 40 DGAB Cc1cc([C@@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1 89599030 PRKSZJHTIRGYNU-DYVFJYSZSA-N 319.836 3.285 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2oc3ccccc3c2C)c(=O)[nH]1 75121152 FXHCNBGBSKHHFZ-LBPRGKRZSA-N 310.353 3.229 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)Cc3cccnc3)ccc21 89869145 LJYXETJAIZFXHF-UHFFFAOYSA-N 306.369 3.027 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(Cl)c(Cl)c1 409383600 XXRFXLXSJJUGPL-TXFQPVFDSA-N 322.191 3.301 0 40 DGAB Cc1c(C(=O)Nc2ccc3c(c2)NC(=O)CO3)oc2ccccc12 27990096 NWBVNINHHRVMAT-UHFFFAOYSA-N 322.320 3.324 0 40 DGAB O=S(=O)(c1ccccc1F)N1CC[C@@H](c2ccccc2)C1 44225376 RPEUBNKAYOXIDM-CQSZACIVSA-N 305.374 3.004 0 40 DGAB Cc1ccc([C@H](CNC(=O)C[C@H]2C=CCC2)N2CCCC2)o1 69513614 ZZRGAKFSHAJDIB-HOTGVXAUSA-N 302.418 3.197 0 40 DGAB CCCn1nccc1C(=O)Nc1nc2ccc(C)cc2s1 32611548 CVKOCSFZKJMECC-UHFFFAOYSA-N 300.387 3.464 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 539916369 DNBJSJMKKWTEGU-MSOLQXFVSA-N 324.355 3.027 0 40 DGAB CCOC(=O)c1nn(C)c(Br)c1-c1ccccc1 218296411 BLUAOUPJDUOKSF-UHFFFAOYSA-N 309.163 3.026 0 40 DGAB CCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1 216845242 QDWQBPMNILHLSV-UHFFFAOYSA-N 321.760 3.499 0 40 DGAB Cc1cccc(C)c1OC[C@H](O)CN1CC[C@@H](CC2CC2)C1 559413424 BCRYYZKVEILMGK-ZWKOTPCHSA-N 303.446 3.165 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 36612989 CNAQIPOJGFCTLA-ZTCHHREXSA-N 308.164 3.305 0 40 DGAB C[C@@]1(c2ccccc2)CC[C@H](N2CCC(n3cncn3)CC2)C1 189826482 RLGYUUYQIYMJSI-RBUKOAKNSA-N 310.445 3.425 0 40 DGAB Cc1ccc(NC(=O)Cn2cccc2C=O)c(Br)c1 72331931 WUUYWPGNXICOLP-UHFFFAOYSA-N 321.174 3.010 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)c2cccs2)cc1OC 74611816 PYTQMHFWKFZRAR-VIFPVBQESA-N 309.362 3.395 0 40 DGAB O=C1Cc2cc(NC(=O)c3ccc(-n4cccc4)cc3)ccc2N1 49506639 AMCYKECRMYFYKN-UHFFFAOYSA-N 317.348 3.224 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NCc1cc(-c2cnn(C)c2)no1 190049367 ICXAXXPDYXPZDF-GOEBONIOSA-N 320.462 3.229 0 40 DGAB COC(=O)c1cccc(NC(=S)NCc2ccccc2C)c1 225309652 NOPHRUROOHOSQU-UHFFFAOYSA-N 314.410 3.268 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)NCC 224266436 TZZHUSFUCVPBIJ-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB Cc1cc(N)cc(C)c1NC(=O)c1ccc(Br)o1 45889188 XMXGQLODRMTPBQ-UHFFFAOYSA-N 309.163 3.493 0 40 DGAB Cc1nccn1C[C@@H]1CCCN1c1cncc(Br)c1 225598071 ZRHWGBQSHZIWIK-ZDUSSCGKSA-N 321.222 3.018 0 40 DGAB CCOC(=O)[C@@H](C)[C@H](C)NC(=O)Nc1ccsc1Cl 192981836 GSBKKUDMAHHDRK-YUMQZZPRSA-N 304.799 3.111 0 40 DGAB C[C@H]1CCCCN1C(=O)CN1C(=O)CC(C)(C)c2ccccc21 96183202 VMPXSXOGUWRLCC-AWEZNQCLSA-N 314.429 3.102 0 40 DGAB C[C@@]1(C(=O)Nc2ccncc2)CC(c2ccccc2Cl)=NO1 96192911 XWDCQNDPSNERHD-INIZCTEOSA-N 315.760 3.257 0 40 DGAB O=C(C1CC=CC1)N1C[C@H]2CCC[C@@]2(COc2cccnc2)C1 96109239 DBYPJYXBEQFVNX-APWZRJJASA-N 312.413 3.055 0 40 DGAB C[C@H](O)CCN(C)C(=O)NC1CCC(c2ccccc2)CC1 96481450 YWGFYDYRBQBYOY-OOHWJJMZSA-N 304.434 3.125 0 40 DGAB C[C@](Cl)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96520244 NWTZGHMPIZOYTM-JKSUJKDBSA-N 324.829 3.387 0 40 DGAB CC(C)n1nccc1C(=O)Nc1ccc(N=S(C)(C)=O)cc1 585091053 QLPKAEGVBHIOLV-UHFFFAOYSA-N 320.418 3.075 0 40 DGAB COc1cc([C@@H](C)NCc2ccc(C)cn2)cc(OC)c1OC 96474678 ZNRDJTQWORJRDL-CYBMUJFWSA-N 316.401 3.267 0 40 DGAB C[C@H](O)CCCCCC(=O)NC[C@@H](C)Oc1cccc(F)c1 585132290 SJUHPDCGDRFSEF-UONOGXRCSA-N 311.397 3.041 0 40 DGAB CSC[C@H](C)C(=O)NCc1ccc(Oc2ccccc2)cn1 585130574 VDMLORZJPNILBZ-ZDUSSCGKSA-N 316.426 3.489 0 40 DGAB CC(=O)NCc1cccc([C@@H]2CCCN2CCc2ccccc2)n1 257258938 KWEGSWXOLJTTNQ-FQEVSTJZSA-N 323.440 3.097 0 40 DGAB COC(=O)Nc1cccc(N[C@@H](C)Cc2ccnc(OC)c2)c1 585141207 RJYGQCCBMPSCCI-LBPRGKRZSA-N 315.373 3.312 0 40 DGAB CSc1ncc(Cl)c(C(=O)N[C@H](C)c2ccc(C)o2)n1 29601525 ZOAMAHRUMBZAFE-MRVPVSSYSA-N 311.794 3.244 0 40 DGAB CC(C)(CNC(=O)C[C@@H]1C=CCC1)N1CCc2ccccc2C1 45455500 LHTIXSNZJHAZAX-MRXNPFEDSA-N 312.457 3.296 0 40 DGAB Cc1c(C(=O)OC(C)C)sc2nc3n(c(=O)c12)CCCCC3 45915987 LHZVHBHNRISLOB-UHFFFAOYSA-N 320.414 3.058 0 40 DGAB Cc1cc(CNC[C@@H]2CCN(CC(F)(F)F)C2)ccc1F 50545528 FVQAUROLEICIQL-ZDUSSCGKSA-N 304.331 3.108 0 40 DGAB C[C@H]1CCC[C@H](OCC(=O)Nc2cccc(-c3nnco3)c2)C1 89927351 QLIZBPPZKUXFTM-WFASDCNBSA-N 315.373 3.270 0 40 DGAB Cc1ccc(-c2nn3c(=O)nc4sc5c(c4c3[nH]2)CCC5)cc1 102427465 IWOQEYGCGIJZSM-UHFFFAOYSA-N 322.393 3.096 0 40 DGAB O=C(NCc1cn2ccsc2n1)N1CCC[C@H]1C1CCCC1 79579282 JJRYUOACZWASGY-AWEZNQCLSA-N 318.446 3.260 0 40 DGAB COC(=O)c1cc(C(=O)N2CCC[C@H]2c2ccccc2C)ccn1 81706451 UPELUYKSYFCYGH-KRWDZBQOSA-N 324.380 3.154 0 40 DGAB COc1ccc(C)cc1COC(=O)c1c(OC)cccc1OC 5281412 ALKUYNOFXDSDGC-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB Cc1cc(-c2cnc(NCCCn3ccnc3)nc2C2CC2)on1 12143350 RJFFDMSKRNMMMZ-UHFFFAOYSA-N 324.388 3.016 0 40 DGAB COCCNc1ncc(-c2cccs2)c(-c2nccs2)n1 12327293 DWCMQPLWXVMGSX-UHFFFAOYSA-N 318.427 3.387 0 40 DGAB COc1cccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c1 13167583 DHFIXSVNDCCIMD-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB Cc1ccc2nc(NC(=O)CN3CCCCCC3)sc2c1 16740496 FHGHZVKJSBULMF-UHFFFAOYSA-N 303.431 3.419 0 40 DGAB COc1ccccc1NC(=O)NCCSCc1ccco1 18178836 FOVQSWBELSYHPI-UHFFFAOYSA-N 306.387 3.343 0 40 DGAB Cc1cccc(NC(=O)Nc2cc(C)c(O)c(C(=O)O)c2)c1 226321711 GRDJNJFYOQMTQF-UHFFFAOYSA-N 300.314 3.351 0 40 DGAB CCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C(C)C)[C@H]2C1=O 100046108 VWCQAZFZWPMLER-HLNSBACISA-N 323.392 3.343 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccccc3C)o2)cc1 4276090 LVPYDRTWNQFETJ-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(F)cc3)ccc21 9827699 OPECGKCRIYJIGR-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB O=C(/C=C/c1cccs1)NCc1cc(-c2ccco2)on1 38582168 AOEMEYSOMKLFBG-AATRIKPKSA-N 300.339 3.326 0 40 DGAB O=C(Nc1ccccc1F)N1CCc2nc3ncccc3cc2C1 117205576 DSFVMNZHANREOQ-UHFFFAOYSA-N 322.343 3.359 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCC[C@@H](Oc2ccncc2)C1 575613727 SNRKJVBLJFKEKV-CQSZACIVSA-N 318.323 3.043 0 40 DGAB O=S(=O)(Cc1cccc(Cl)c1)N1CCc2ccccc21 10449429 JDYNEYTVBFPJMS-UHFFFAOYSA-N 307.802 3.233 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)N[C@H]1CCSc2ccccc21 32339887 XQCMZHIOMZYPAJ-KOLCDFICSA-N 319.348 3.307 0 40 DGAB O=C(CN1CCCCCC1=O)Nc1ccc(C(F)(F)F)cc1 21279458 XTTSAOMNTCACAD-UHFFFAOYSA-N 314.307 3.047 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCO[C@H]2CCCC[C@@H]21 41194942 OPUINCBKNLBWQK-KBPBESRZSA-N 313.319 3.489 0 40 DGAB C[C@H]1Oc2ccccc2O[C@]1(O)c1ccc(Br)cc1 55473 LGFVNGURPFMREG-BMIGLBTASA-N 321.170 3.454 0 40 DGAB COc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1C 151394 OBUPLWVKGUEQDS-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccc(OC)cc23)cc1 287711 WTDIADWOMRXTEQ-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB COc1cc2ncnc(NCc3ccc(F)cc3)c2cc1OC 1386814 LASSDHMCHFNZJI-UHFFFAOYSA-N 313.332 3.398 0 40 DGAB COC(=O)c1cc(C)nn1-c1nc(-c2ccc(C)cc2)cs1 1414056 IVZDLTDCPKORIU-UHFFFAOYSA-N 313.382 3.399 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)C1(c2ccccc2)CC1 3332110 QXVPCNMWDHZJEE-INIZCTEOSA-N 323.392 3.017 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 5110512 NRWBRAHAMDCOGI-JTQLQIEISA-N 307.346 3.380 0 40 DGAB Cc1ccc2[nH]c(=O)cc(OC(=O)/C=C/c3ccccc3)c2c1 5530188 IVHDRRYSTAILPA-CSKARUKUSA-N 305.333 3.455 0 40 DGAB CCOC(=O)c1c(C)n(C[C@H]2CCCO2)c2ccc(O)cc12 5585753 WJTLLYYCNOPXRQ-CYBMUJFWSA-N 303.358 3.011 0 40 DGAB CC[C@H](C)NC(=O)[C@@H](NC(=O)OCc1ccccc1)[C@H](C)CC 6224166 OAVUXSIQEJHCSI-YCPHGPKFSA-N 320.433 3.242 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1F)c1ccc(F)cc1 6322170 AOQCFKZOASCZRP-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB COC(=O)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(C)C 6616857 FMEBZAQYKDESBK-LLVKDONJSA-N 319.188 3.313 0 40 DGAB CCc1sc(-c2nnc(S)n2C)cc1Br 8337582 GMWKMHQQGPPPPS-UHFFFAOYSA-N 304.238 3.157 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1-n1cccc1 8708137 RYQCZBAYFCRYON-UHFFFAOYSA-N 319.364 3.137 0 40 DGAB CCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccccc1Cl 8828889 PKXGDYSGFVAGSX-CYBMUJFWSA-N 324.833 3.038 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 9306785 CAWSWHYDMPHTKG-SNVBAGLBSA-N 304.321 3.099 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)NCC2CCCCC2)c1 10031120 YANAVKPRIALIDF-AWEZNQCLSA-N 303.402 3.353 0 40 DGAB Cc1ccsc1-c1nnc(S)n1-c1cccc2nonc12 12407830 MBRFMZUWCGYINE-UHFFFAOYSA-N 315.383 3.129 0 40 DGAB CC[C@H](C)N1CNC(=S)N(c2cccc(C(F)(F)F)c2)C1 12418628 IEVNXCJTYBODQO-JTQLQIEISA-N 317.380 3.415 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2cccc(Cl)c2)c1 12897430 UFUXGXLEBKDSKO-UHFFFAOYSA-N 320.776 3.022 0 40 DGAB CC(C)n1cnnc1SCc1nc(-c2ccc(F)cc2)no1 14110829 RWXHMJLSCITQQK-UHFFFAOYSA-N 319.365 3.340 0 40 DGAB COc1cccc(-c2cc(O)n(-c3nc4ccccc4[nH]3)n2)c1 14607933 GIWHGLIVVQSKGP-UHFFFAOYSA-N 306.325 3.130 0 40 DGAB COc1ccccc1OCCNC(=O)c1c(C)[nH]c2ccccc12 15533233 PKYZOMWUPZLMKY-UHFFFAOYSA-N 324.380 3.294 0 40 DGAB O=S(=O)(Oc1cccc2cccnc12)c1cccc(F)c1 16089136 ZJIZHPHCKPHLMW-UHFFFAOYSA-N 303.314 3.142 0 40 DGAB Cc1nn(CC(=O)O)c2nc(-c3ccccc3)cc(C(F)F)c12 20349777 NQWQOMKFBIPMFE-UHFFFAOYSA-N 317.295 3.429 0 40 DGAB O=c1[nH]c2ccc(-c3csc(Nc4ccccn4)n3)cc2[nH]1 23625463 DHLAFEQXAZWULU-UHFFFAOYSA-N 309.354 3.118 0 40 DGAB COc1ccc(S(=O)(=O)Oc2cccc(C)c2C)cc1OC 25651050 IUSOUQDFVKTGRD-UHFFFAOYSA-N 322.382 3.088 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccc(F)cc1 27584293 OGSAGAZKMSPMJL-HNNXBMFYSA-N 318.417 3.454 0 40 DGAB O=C(Nc1cnn(Cc2cccc(Cl)c2)c1)c1cccnc1 28220569 WGZXKVCMCOFAHD-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCc1ccc(C(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 28250269 QKUKZYPXQNAYSA-LBPRGKRZSA-N 303.387 3.204 0 40 DGAB CC(C)c1noc([C@@H](C)n2nnc(-c3ccc(Cl)cc3)n2)n1 31655496 DDFPJJOMLOKKIQ-SECBINFHSA-N 318.768 3.109 0 40 DGAB CN(Cc1ccccc1)C(=O)Cc1csc(-c2ccccn2)n1 31865149 GPMQDRVCAVGCEK-UHFFFAOYSA-N 323.421 3.406 0 40 DGAB CCCCc1ccc2nc(NC(=S)NC(C)=O)sc2c1 32118581 TYLLQIDPKBECSW-UHFFFAOYSA-N 307.444 3.472 0 40 DGAB C[C@H](CNC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 32699858 VVUCVHULYBIAJH-OAHLLOKOSA-N 305.381 3.406 0 40 DGAB COc1ccc(C(=O)c2ncc(-c3ccc(OC)cc3)[nH]2)cc1 34552797 NTNZYQHPYCTYRQ-UHFFFAOYSA-N 308.337 3.325 0 40 DGAB COC(=O)[C@H]1CC[C@H]2c3ccc4[nH]c(=O)ccc4c3CC[C@]12C 38440726 UCVHDXRNRVURFC-KHYOSLBOSA-N 311.381 3.147 0 40 DGAB in-vitro CCOC(=O)[C@@H]1CCCN(C(=O)/C=C/c2cccc(Cl)c2)C1 40160932 QXKZXXVQUVQZMG-MYSGNRETSA-N 321.804 3.155 0 40 DGAB CC(C)CCN(CCC(=O)Nc1ccc2c(c1)OCO2)C1CC1 47912428 CSYQLCURPHIEKT-UHFFFAOYSA-N 318.417 3.254 0 40 DGAB O=C(/C=C/c1c(F)cccc1F)Nc1nnc(C2CC2)s1 48333106 AOOMKADJEUZWIV-VOTSOKGWSA-N 307.325 3.346 0 40 DGAB O=C(C[C@H]1C=CCC1)NCC1(c2ccc(F)cc2)CCOCC1 55453850 AGNZOECVUJQYIR-HNNXBMFYSA-N 317.404 3.346 0 40 DGAB CN(C)/C=C1/CCCCN2C(=O)/C(=C\c3ccc(F)cc3)N=C12 57211563 QLWOZEGNFKTPGH-ZXKCGDDJSA-N 313.376 3.037 0 40 DGAB O=C(/C=C/c1ccc2c(c1)CCO2)N(Cc1ccccn1)C1CC1 58377750 DZSBZJQDSTZLJG-WEVVVXLNSA-N 320.392 3.221 0 40 DGAB CC(C)(C)C(=O)Nc1ccn(Cc2cccc3cccnc23)n1 60237729 PMYLODFAQDXYEL-UHFFFAOYSA-N 308.385 3.464 0 40 DGAB CC(C)Cn1nccc1NC(=O)Nc1ccnn1CC(C)C 62151997 NLKMNVNUPYWBAS-UHFFFAOYSA-N 304.398 3.036 0 40 DGAB in-vitro Cc1ccccc1NC1CCN(C(=O)NCC(F)(F)F)CC1 65522079 PSLJSBGQCNJVID-UHFFFAOYSA-N 315.339 3.143 0 40 DGAB CCCCN(Cc1c(C)cc(C)cc1C)[C@H]1CCS(=O)(=O)C1 66543946 LFRZQKNBVWAYMB-KRWDZBQOSA-N 323.502 3.401 0 40 DGAB Cc1nc2cc(C(=O)N3CCC[C@H]3c3ccccn3)ccc2n1C 69421158 ULBFFZJKQJLOTM-SFHVURJKSA-N 320.396 3.254 0 40 DGAB CCc1nc(CCNC(=O)CCc2ccccc2)sc1C 69455505 AUOAWMYJOHMKSE-UHFFFAOYSA-N 302.443 3.305 0 40 DGAB O=C(Cc1ccsc1)Nc1ccnn1CCc1ccccc1 69493954 OWYWNZDWLFDNEX-UHFFFAOYSA-N 311.410 3.369 0 40 DGAB COc1ccc(CC2CCN(C(=O)CC(F)(F)F)CC2)cc1 69515152 AXZJZUDVCHXWQK-UHFFFAOYSA-N 315.335 3.429 0 40 DGAB CCC[C@H](NC(=O)c1ccccc1C)c1nnc2ccccn12 69518698 FVAIWDSLMWVZTK-HNNXBMFYSA-N 308.385 3.309 0 40 DGAB CC(C)OCc1cccc(S(=O)(=O)N2CCCC[C@H]2C)c1 72264797 OSPGMVISHRVBRV-CQSZACIVSA-N 311.447 3.175 0 40 DGAB Cc1ccc([C@H]2CCCCCN2C(=O)c2cn3cccnc3n2)o1 72291785 XXNOIWIZVMOJHP-OAHLLOKOSA-N 324.384 3.388 0 40 DGAB c1cncc(CN2CCC[C@H](c3cccc(-n4ccnc4)n3)C2)c1 72378633 DSYPPXSQVCIRTA-KRWDZBQOSA-N 319.412 3.042 0 40 DGAB Fc1ccccc1SCCN1CCN(c2ccccn2)CC1 72700706 JNEIHKGBAACYNB-UHFFFAOYSA-N 317.433 3.135 0 40 DGAB Fc1ccccc1CCN[C@H]1CCN(CCc2ccccc2)C1 78648546 FTHINRFWTMPYLJ-IBGZPJMESA-N 312.432 3.275 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)c2cc(C)no2)cc1 78814126 VXIBAIZJDTWBOE-CQSZACIVSA-N 302.399 3.222 0 40 DGAB CN(C)C(=O)Cc1ccccc1NCc1ncc(C(C)(C)C)o1 78999271 AIZHQAMASNRLBN-UHFFFAOYSA-N 315.417 3.215 0 40 DGAB CC[C@@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 81322236 PIPMMVAZAJUWAY-HKUYNNGSSA-N 314.429 3.003 0 40 DGAB c1nc(N[C@@H]2CCO[C@@]3(CCSC3)C2)c2ccsc2n1 89885392 VXUJJNPBNNVUJR-YGRLFVJLSA-N 307.444 3.158 0 40 DGAB C[C@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 89904604 ZPWCXLWSOJOUBP-KBXCAEBGSA-N 301.409 3.044 0 40 DGAB CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)C1 95369373 PMIRNAAXHVCTAE-HZMVEIRTSA-N 307.482 3.129 0 40 DGAB CCSc1cccc(NC(=O)N[C@H](C)c2cnn(C)c2)c1 95403945 ZLEIJJUMVWVVHU-LLVKDONJSA-N 304.419 3.415 0 40 DGAB CCc1ccccc1NC(=O)C[C@@H](C)NCc1cc(C)on1 95420852 STJYGFMVCGRAGU-GFCCVEGCSA-N 301.390 3.052 0 40 DGAB C[C@H](N[C@H]1CCc2c(F)cccc21)c1ccc(-n2cnnn2)cc1 95421149 PECKWAPXQZQAJY-SGTLLEGYSA-N 323.375 3.140 0 40 DGAB CCOc1ccc(Cl)cc1CCNC(=O)c1ncoc1C 95440593 AAIJYIRZCFDLII-UHFFFAOYSA-N 308.765 3.008 0 40 DGAB Cc1nnc(CSCc2nc(C(C)(C)C)no2)n1C1CC1 95459952 QRYDOSJNIFSADA-UHFFFAOYSA-N 307.423 3.035 0 40 DGAB CCCC[C@H](N[C@H]1CCc2[nH]c3ccccc3c2C1)C(=O)OC 95943550 WRDQIYSTYAHSNH-UGSOOPFHSA-N 314.429 3.347 0 40 DGAB CC(C)C1CCC(NC(=O)N(C)C2CCC(CO)CC2)CC1 95972236 BTENEWJGPMPRDW-UHFFFAOYSA-N 310.482 3.394 0 40 DGAB C[S@](=O)c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1F 95979423 MCGQRDQPYPXSRW-OAQYLSRUSA-N 319.348 3.327 0 40 DGAB Cc1nc(CO[C@@H]2CO[C@]3(CCN(CC4CCC4)C3)C2)cs1 96072407 IXBCUGMTJCVEON-DLBZAZTESA-N 322.474 3.002 0 40 DGAB CC(C)Sc1ccc(CC(=O)N2Cc3cncnc3C2)cc1 96098277 GRIMJGJNTLEEJQ-UHFFFAOYSA-N 313.426 3.062 0 40 DGAB Cn1nc(CNC(=O)c2c(F)cccc2Cl)c2c1CCCC2 96099126 DSYYXCSSLZJGIO-UHFFFAOYSA-N 321.783 3.021 0 40 DGAB c1ccc(O[C@@H]2COC3(CCN(Cc4ccoc4)CC3)C2)cc1 96221806 MBAAOHOKCCPJOF-SFHVURJKSA-N 313.397 3.482 0 40 DGAB Cn1ccc2c(NC(=O)c3n[nH]c4c3CCCCC4)cccc21 96223623 UTIRLSXDRNGZSA-UHFFFAOYSA-N 308.385 3.423 0 40 DGAB CC(C)[C@H]1CN(C(=O)c2ccc(-n3ccnc3)cc2)CCS1 96432257 RMOSYHJQOYVQOG-MRXNPFEDSA-N 315.442 3.086 0 40 DGAB CC(C)c1ocnc1C(=O)NCCNc1ccc2ccccc2n1 96436735 NKISNFSIMSFNFU-UHFFFAOYSA-N 324.384 3.188 0 40 DGAB Cc1cc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)on1 96468606 CEOWBGUVUFOUGF-ZBFHGGJFSA-N 304.390 3.444 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N(Cc1ccccc1)[C@H](CO)C1CC1 97046190 JGXHOQKHBQCWRM-MRXNPFEDSA-N 318.804 3.081 0 40 DGAB Cc1nccc(N2CCCCC[C@H]2C[C@H](O)c2ccco2)n1 97227852 ULAIZHKTGFTGTL-GJZGRUSLSA-N 301.390 3.251 0 40 DGAB CN(C[C@@H]1CCCOC1)C(=O)c1sccc1Br 107646016 FHSSUWYEDGJQHD-VIFPVBQESA-N 318.236 3.009 0 40 DGAB C[C@@H](O)CN[C@H](c1ccc(Br)cc1)c1ccco1 183924253 LAVSZOXLHXLWAD-QMTHXVAHSA-N 310.191 3.102 0 40 DGAB COc1cc2nccc(Cl)c2cc1S(=O)(=O)C(C)(C)C 203858067 IVGUOXODJXRQQM-UHFFFAOYSA-N 313.806 3.469 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)N[C@H](C)CC 225050810 QUXOIWZIYQVRMU-CVEARBPZSA-N 318.461 3.427 0 40 DGAB CNC(=O)c1ccc(Nc2cccc(C(F)(F)F)c2)c(N)c1 225429176 TWUDLOQMTPYZQU-UHFFFAOYSA-N 309.291 3.391 0 40 DGAB Cc1cccnc1CN1C[C@H]2CC[C@@H](Oc3cccnc3C)[C@H]2C1 257203087 AOQKBCFZMZYPQC-FUHIMQAGSA-N 323.440 3.383 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3ccsc3)C2)s1 257250833 JOEOYBWTJPOBOJ-CYBMUJFWSA-N 306.456 3.462 0 40 DGAB Cc1ccc([C@H]2CN(CC3=Cc4ccccc4OC3)CCO2)nc1 257272422 NCIRWMFIEWXSLS-HXUWFJFHSA-N 322.408 3.239 0 40 DGAB O=C(c1ccncc1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)C1 257328186 XENMIMLFARJKIP-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Cc1cnn(C[C@@H]2CN(C[C@H]3CCCC(C)(C)C3)CCO2)c1 539836275 XSOJVJKCCBRDGI-IRXDYDNUSA-N 305.466 3.109 0 40 DGAB Cc1nocc1C(=O)N[C@H](C)c1nc2ccccc2n1C(C)C 585089464 PAFNQHLFBYDVPQ-GFCCVEGCSA-N 312.373 3.405 0 40 DGAB C[C@@H](NC(=O)c1ccoc1C1CC1)c1nc(C(F)(F)F)no1 585123808 XCZHPVDHDCYQSC-ZCFIWIBFSA-N 315.251 3.050 0 40 DGAB C[C@H]1C[C@H](C(=O)Nc2ccc(CO)c(CO)c2)CC(C)(C)C1 585130741 AYUMDVDCGVLANS-JSGCOSHPSA-N 305.418 3.072 0 40 DGAB O=C(c1ccc(SC(F)(F)F)o1)N1[C@H]2CC[C@H]1CC(O)C2 585131544 YTMZZKWIPDTMFA-YUMQZZPRSA-N 321.320 3.019 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 255116 VRUGKINYMYJVIN-HNNXBMFYSA-N 317.429 3.399 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2)c(Cl)c1 380702 JHTYJYHFBKLIES-UHFFFAOYSA-N 302.761 3.480 0 40 DGAB O=C(OCC1c2ccccc2-c2ccccc21)N1CCC(O)CC1 1420806 DANUFRHHXWZNIK-UHFFFAOYSA-N 323.392 3.392 0 40 DGAB COc1cc(C(=O)NCCC2CCCC2)cc(OC)c1OC 1481034 KZVHZCODZIRMNY-UHFFFAOYSA-N 307.390 3.023 0 40 DGAB biogenic,in-vitro CCOc1ccc(NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 2568436 JTWABNLYJIZWOD-ONNFQVAWSA-N 311.337 3.466 0 40 DGAB Cn1cnnc1SCC(=O)c1ccc(Cl)c(Cl)c1 3225158 BKDRNOORRCLEHF-UHFFFAOYSA-N 302.186 3.097 0 40 DGAB Cc1onc(C(=O)O)c1COc1cccc(C(F)(F)F)c1 4294495 QHXTUNWPRKRCMF-UHFFFAOYSA-N 301.220 3.279 0 40 DGAB c1ccc(CSc2ccc3nnc(-c4ccncc4)n3n2)cc1 4328120 GSUVAUUIJZTLJU-UHFFFAOYSA-N 319.393 3.479 0 40 DGAB COCCSc1ccccc1C(=O)Nc1cccc(C)n1 4704432 LDDHMUFPUMUAAJ-UHFFFAOYSA-N 302.399 3.381 0 40 DGAB COc1cccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)c1 5400240 CWIMADBTYPEFHX-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB CCc1cccc(CC)c1NC(=O)c1ccc(-n2cncn2)nc1 5477443 HYNHDUWNOYYBEL-UHFFFAOYSA-N 321.384 3.039 0 40 DGAB CN(C(=O)c1c(Cl)cnn1C)C12CC3CC(CC(C3)C1)C2 5886690 FBNNSAWHAGGPSN-UHFFFAOYSA-N 307.825 3.114 0 40 DGAB CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1ccc(C)o1 6656973 MPJLMKAPTXFKTB-HNNXBMFYSA-N 322.449 3.317 0 40 DGAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)c1cnccn1 8134442 FPWYZHWXEPWETE-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB COc1cc(Br)cc(C=O)c1OCc1cccnc1 8702327 LJBXISBVMZGTSW-UHFFFAOYSA-N 322.158 3.244 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CCCC1)c1ccccn1 8920268 YREUTCPBYMUWSL-UHFFFAOYSA-N 309.369 3.006 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCC(=O)c2ccccc2)cc1 9388479 VOKOLUZCJYXVSJ-UHFFFAOYSA-N 310.353 3.247 0 40 DGAB COc1cc(C(=O)NCc2ccc(C)c(F)c2)cc(Cl)c1O 9833807 ANORJDXCAHWCSI-UHFFFAOYSA-N 323.751 3.432 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(Cl)c2)c1C 10026166 YMKYKWYNBMVRAP-UHFFFAOYSA-N 306.749 3.324 0 40 DGAB CC[C@H](C(=O)NCc1ccccc1)N(C)Cc1ccc(C)o1 11217131 NLXGZZWFSCCFOQ-QGZVFWFLSA-N 300.402 3.115 0 40 DGAB COc1ccccc1CCCNC(=O)c1ccc2nc(C)[nH]c2c1 12147182 ZJSYTDFKKUYPDJ-UHFFFAOYSA-N 323.396 3.243 0 40 DGAB O=c1/c(=C/c2ccccc2Cl)sc2nc3ccccc3n12 12340836 LSMPFFSYANAQSU-ZROIWOOFSA-N 312.781 3.110 0 40 DGAB Cc1cccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 12621925 FZBAQXLHPIVSPG-ZDUSSCGKSA-N 324.380 3.286 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2ccccn2)ccc1OC(F)F 12635130 YKYDUSBNFDBTGY-SNVBAGLBSA-N 322.311 3.183 0 40 DGAB Cc1cc2nccc(C3CCN(C(=O)OC(C)(C)C)CC3)n2n1 13565853 ZWAPGCSDBRAGQG-UHFFFAOYSA-N 316.405 3.152 0 40 DGAB O=C([C@@H]1CCCO1)N1CCC[C@H]1c1nc2ccccc2s1 14068578 QBJUHNIKZVHDIB-STQMWFEESA-N 302.399 3.139 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(C3SCCS3)cc2)C[C@@H](C)O1 14166716 XMDGXHOPQJNPJT-VXGBXAGGSA-N 323.483 3.415 0 40 DGAB COc1ccccc1Nc1nc(C)c(Cc2ccccc2)c(=O)[nH]1 16809589 NFUIJHWFSGAUMB-UHFFFAOYSA-N 321.380 3.421 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@H](C)Oc1ccc(Br)cc1 17054752 YSPLWIOKNGFKMH-QWRGUYRKSA-N 314.223 3.377 0 40 DGAB COCCCN(Cc1ccc2c(c1)CCO2)Cc1ccccn1 19593263 ATOWGSVLRMHRGR-UHFFFAOYSA-N 312.413 3.055 0 40 DGAB CCc1cc2c(N[C@@H](C)c3cnn(C)c3C)ncnc2s1 25570671 MRJWKRXJNNTRDO-VIFPVBQESA-N 301.419 3.469 0 40 DGAB CN(C)CCNc1nc2ccc(Br)cc2s1 26423993 DDJWFSMFJWWKFN-UHFFFAOYSA-N 300.225 3.032 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)[C@H]1Cc2ccccc2S1 27110727 RMOLCDOCTMVEIA-OAHLLOKOSA-N 323.377 3.392 0 40 DGAB N=C1c2ccccc2CN1CCCN1Cc2ccccc2C1=N 27232458 RORYETTXZDSIFM-UHFFFAOYSA-N 304.397 3.059 0 40 DGAB CC(C)[C@H](NCc1ccc(C(N)=O)cc1)c1ccc(F)cc1 27369517 PFUZVWUXQGLSQE-KRWDZBQOSA-N 300.377 3.412 0 40 DGAB CC[C@H]1CN(C(=O)Cc2csc(-c3cccs3)n2)CCO1 30854758 VFEYAVBWGZVFDC-LBPRGKRZSA-N 322.455 3.052 0 40 DGAB COc1ccc(CN(C)C(=O)NCc2ccc(F)cc2)cc1F 30990111 BKKNPKAVUOSYSA-UHFFFAOYSA-N 320.339 3.315 0 40 DGAB CC(C)[C@H](NC(=O)/C=C/c1ccc(Cl)cc1Cl)C(=O)O 33456182 RECSXRSFZKNBDA-BPJJOFIESA-N 316.184 3.232 0 40 DGAB O=C(C1CCCC1)N1CC[C@H](c2nc3ccc(F)cc3[nH]2)C1 35442860 SPEZNPXJBWIHJG-LBPRGKRZSA-N 301.365 3.208 0 40 DGAB biogenic,in-vitro CC(C)NC(=O)N1CCC[C@@H](c2nnc(-c3cccs3)o2)C1 38666495 LMDRFQYQKBWGCZ-LLVKDONJSA-N 320.418 3.096 0 40 DGAB Cc1c([C@@H](C)NC(=O)NCc2cc[nH]n2)sc2ccccc12 48234509 PUCWLUFVVSKELN-LLVKDONJSA-N 314.414 3.493 0 40 DGAB CN(C)[C@@H](CNc1cnc2ccccc2n1)c1ccc(F)cc1 52486102 ANYKIJINAUSTQH-KRWDZBQOSA-N 310.376 3.484 0 40 DGAB Cc1ccnc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)c1 56009808 WRHMYGURTFLDGV-UHFFFAOYSA-N 309.369 3.015 0 40 DGAB O=C(Nc1ccncc1)N1CCC(Nc2ccc(F)cc2)CC1 58193276 IICSTKMVFJBABE-UHFFFAOYSA-N 314.364 3.329 0 40 DGAB Cc1nc(S)sc1CC(=O)Nc1ccc2ncccc2c1 58329224 CEFMJLGZJIVPEN-UHFFFAOYSA-N 315.423 3.470 0 40 DGAB CCCN(C)C(=O)c1cc2c(OCC)cc3c(c2[nH]1)O[C@@H](C)C3 58420069 DBCKEXWPEDVVSB-NSHDSACASA-N 316.401 3.372 0 40 DGAB O=C(NCCc1cccc(O)c1)c1cc(-c2cccs2)on1 60330378 CVDDXWRKKQOVPN-UHFFFAOYSA-N 314.366 3.081 0 40 DGAB Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1C 65232533 YYPILXVEVWVGDL-UHFFFAOYSA-N 306.369 3.270 0 40 DGAB COC(=O)[C@H](NC(=O)C=C(C)C)c1ccccc1C(F)(F)F 65490572 UEUZSCHEUVCIPR-CYBMUJFWSA-N 315.291 3.002 0 40 DGAB Cn1cc(NC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)ccc1=O 65656407 JZYRMJNDHJGFHM-UHFFFAOYSA-N 324.424 3.353 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Oc1ccc(-c2noc(-c3cccnc3)n2)cc1 69382111 XEJFLIJANKZMNC-NHYWBVRUSA-N 321.336 3.360 0 40 DGAB Cc1cccc(OC(F)F)c1NC(=O)COCC(F)(F)F 69516794 SOWPJHPAGIAAJG-UHFFFAOYSA-N 313.222 3.114 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N(C)CCc3ccccn3)c12 69701520 ARIGRZCEEHBCBG-UHFFFAOYSA-N 307.397 3.115 0 40 DGAB CCOc1ccc(CN[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 69921446 XNAYDKDODNEZCK-GFCCVEGCSA-N 311.385 3.106 0 40 DGAB CN1CCC[C@@H](CSc2nnc(Cc3ccccc3F)o2)C1 69977898 JHUFNRFSZJUKKM-GFCCVEGCSA-N 321.421 3.233 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)c1nc2ccccc2s1 70635647 CBYZEYCVVBWLDA-NSHDSACASA-N 318.423 3.130 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)cn1 71796809 NKMRYQFYNOOELS-ROUUACIJSA-N 309.413 3.204 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)N1CCn2c(nnc2C2CC2)C1 71880306 ODJIQEMNYQDINF-JTQLQIEISA-N 304.344 3.011 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)Cc3cccnc3)C2)sc1C 72297482 FMAWZVZWDKPHEW-OAHLLOKOSA-N 315.442 3.104 0 40 DGAB C[C@@H](Nc1ccc(Cl)cn1)c1ccc(S(C)(=O)=O)cc1 72302470 CUHRTEFPPCQXAK-SNVBAGLBSA-N 310.806 3.312 0 40 DGAB Cc1ccc(NC(=O)C[C@H]2CNc3ccccc3NC2=O)c(C)c1 72325933 BGFRWMDGHFTYIC-AWEZNQCLSA-N 323.396 3.312 0 40 DGAB biogenic COC[C@H]1CCCN(C(=O)Nc2ccc(SC)c(F)c2)C1 76082000 VLKJEWGBZQWCAR-NSHDSACASA-N 312.410 3.438 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1Oc1ccccc1)n1cncn1 79039990 AZIGRHGHMFXSBJ-AWEZNQCLSA-N 322.368 3.294 0 40 DGAB CCC1(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CCC1 84165626 CHSJBYZNBULPQJ-INIZCTEOSA-N 320.408 3.489 0 40 DGAB O=Cc1cccc(Br)c1N1CCC(F)(F)CC1 95081197 WWUTYBUIVGCNFU-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB O=C(COc1ccccc1O)N[C@H]1C[C@H]1c1cccc(Cl)c1 95430592 RZXJRKVGKBGIPC-KBPBESRZSA-N 317.772 3.097 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@H](C)c2ccco2)n1 95955416 HBKHADMPBPFLRD-KGLIPLIRSA-N 301.390 3.406 0 40 DGAB COc1ncccc1N(C)C(=O)[C@H](C)O[C@@H]1CCC[C@H](C)C1 95960618 RLAKSMUWHIRWKW-MELADBBJSA-N 306.406 3.037 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)c2ccc(C(F)(F)F)nn2)C1(C)C 95981590 IKNCVAZLUSKNTC-GHMZBOCLSA-N 303.328 3.135 0 40 DGAB CO[C@@H]1CCN(c2nnc(C)s2)C[C@@H]1Cc1cccc(C)c1 96110214 XPBPMYLMAJZACB-JKSUJKDBSA-N 317.458 3.239 0 40 DGAB O=C(NCc1ccc(C(=O)c2ccco2)s1)c1ccco1 96119778 CMACASAJLNMSOP-UHFFFAOYSA-N 301.323 3.095 0 40 DGAB Cc1ccc(CN(C(=O)CC2C[C@@H]3CC[C@H](C2)N3)C2CC2)cc1 96450288 QWNGLKVMINOOFS-AYHJJNSGSA-N 312.457 3.407 0 40 DGAB Cn1nccc1CNC(=O)N1C[C@H]2CCCC[C@@]21c1ccccc1 96491746 AJQVIUJSUJAAHX-VQIMIIECSA-N 324.428 3.031 0 40 DGAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccnc(Cl)c1 97016184 JUQOADYNLUUPBL-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCc1cc(C(=O)O)c(C)o1 97035902 SFKVXILLGUNWRQ-OLZOCXBDSA-N 319.382 3.076 0 40 DGAB C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)[C@@H]1CCCO1 97374138 KPJRNWYNOMARPS-MFKMUULPSA-N 307.781 3.047 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1 100174724 JLMLLJGVUDQKAI-QAETUUGQSA-N 323.392 3.177 0 40 DGAB CCOc1ccc2c(c1)s/c(=N\C(=O)c1cccs1)n2C 100845976 LBFYITHSSDTFRU-NXVVXOECSA-N 318.423 3.441 0 40 DGAB Cc1nc(C(=O)N2C[C@H]3CC[C@H]2C3)nn1-c1ccccc1C(C)C 103756178 ZIRSZRALMKVXLP-GJZGRUSLSA-N 324.428 3.324 0 40 DGAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1c1ccncc1 107329923 LNSQCEXJVCSXNV-QCEMKRCNSA-N 301.459 3.282 0 40 DGAB COc1cccc(OCCNC(=O)Cc2ccc(Cl)cc2)c1 224037610 CAZQMIDUTWOAEB-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CCc1ccc(CC(=O)NCCCN(C)c2ccccc2)cc1 225276758 NTCSEVFSPNZWEO-UHFFFAOYSA-N 310.441 3.434 0 40 DGAB O=C(CCc1c(Cl)cccc1Cl)NC[C@H]1CCCO1 225346849 CDZKQEKKMGPKGO-SNVBAGLBSA-N 302.201 3.221 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2ccc(OC)nc2)cc1 225467492 JVCHJFOAXMFXAF-NSHDSACASA-N 317.414 3.146 0 40 DGAB O=C(NCc1ccnc(-c2cccnc2)c1)NCc1cccs1 225641185 VWUNKFIYPRWYIK-UHFFFAOYSA-N 324.409 3.205 0 40 DGAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(CC)ccc1O2 225817638 NECDDLCLIWHDEH-UHFFFAOYSA-N 317.385 3.205 0 40 DGAB Cc1cccc(O[C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 253475544 UXYGMUZOOUUVJO-SXSDINLZSA-N 308.381 3.083 0 40 DGAB CCn1nccc1-c1cc([C@@H]2CCCN(C(C)C)C2)nc(C)n1 257222006 DRMYFFSLCKYQRF-OAHLLOKOSA-N 313.449 3.256 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC(c3cnccn3)CC2)c1 257300116 RSYLYNRISDKZTM-UHFFFAOYSA-N 322.456 3.456 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)Nc2ccccc2F)CC1 408708433 ZSSGBPDCUUDNSL-UHFFFAOYSA-N 320.408 3.485 0 40 DGAB O=C(NCc1nc(-c2cccs2)n[nH]1)c1cc2ccccc2o1 584906784 LSUMKDNJLJJETK-UHFFFAOYSA-N 324.365 3.209 0 40 DGAB COc1ccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)cc1 618257014 OZGBVNQODCCTHE-GJZGRUSLSA-N 319.426 3.101 0 40 DGAB CCOC(=O)C[C@@H](n1nc(C(F)F)cc1C)C(F)(F)F 685936594 JFILWIYABDBYCC-MRVPVSSYSA-N 300.227 3.186 0 40 DGAB C1CC1c1nsc(N2CCC(c3nnc(C4CC4)o3)CC2)n1 1888866701 NKIDLWUVYMZYOK-UHFFFAOYSA-N 317.418 3.060 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C 44757 NGRJISQBFRBTQA-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@](O)(C(F)(F)F)C1 108290 JYXPSNGLMSHPEJ-GFCCVEGCSA-N 320.698 3.203 0 40 DGAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1nncs1 148494 LYRWFIQVVVAMDN-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB CCc1cccc(C)c1NC(=O)CSc1nnc(C)s1 420143 CFBKXPIWUVZKBI-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB CCOC(=O)CSc1ccc(-c2nc3ccccc3[nH]2)cn1 1329624 MMFXKZXNFAVXTF-UHFFFAOYSA-N 313.382 3.280 0 40 DGAB CCCCOC(=O)C1=C(C)N(C)C(=O)N[C@H]1c1ccccc1 2082865 RNPGWBBDXQCZJX-HNNXBMFYSA-N 302.374 3.000 0 40 DGAB O=C(CSc1ncccn1)c1ccc(Br)cc1 3055106 WMUOWQNWDXFELK-UHFFFAOYSA-N 309.188 3.214 0 40 DGAB Cc1cc(=O)oc2cc(OCC(=O)c3cccs3)ccc12 3336077 TXKCNUFMGWBEFG-UHFFFAOYSA-N 300.335 3.425 0 40 DGAB C[C@@H](NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1 3410859 JUWPKUWSTIZPHD-GFCCVEGCSA-N 322.836 3.214 0 40 DGAB COc1ccc([C@H]2Nn3c(nnc3-c3ccccc3)S2)cc1 3843116 PTQBOCPNGDXICW-HNNXBMFYSA-N 310.382 3.302 0 40 DGAB biogenic CCN(c1ccccc1)S(=O)(=O)c1cc(N)ccc1Cl 3885487 JFXYBBCWLFPDTC-UHFFFAOYSA-N 310.806 3.137 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C)ccn2)cc1OCC 4116374 MYKIBJCLBZWIDA-UHFFFAOYSA-N 300.358 3.440 0 40 DGAB CCOCC(=O)Nc1ccc(-c2cn3c(C)csc3n2)cc1 4249076 QVLZJJUHGJBCLG-UHFFFAOYSA-N 315.398 3.346 0 40 DGAB CC(C)N1C(=O)[C@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 4554690 UPUVIELLDUXLJK-XOBRGWDASA-N 323.392 3.148 0 40 DGAB CC1=NN2[C@@H](C1)c1ccccc1O[C@]21C(=O)Nc2ccccc21 4693685 IZQJQGFPFAKZIU-MAUKXSAKSA-N 305.337 3.007 0 40 DGAB CC(C)(C)C(=O)NC1CCN(C(=S)Nc2ccccc2)CC1 4857491 ROMFYDPRMOYENQ-UHFFFAOYSA-N 319.474 3.010 0 40 DGAB CC(=O)c1c2c3c(ccc(C)c3[nH]c1=O)C(=O)c1ccccc1-2 6131912 CLPWRVXDYZWECA-UHFFFAOYSA-N 303.317 3.251 0 40 DGAB COc1cccc(CC(=O)Nc2cc(OC)c(OC)cc2C)c1 6259191 VURGHZMKFLJJAF-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB CN(C)C(=O)[C@@H](Sc1nc2ccccc2[nH]1)c1ccccc1 6649696 SNMBWKOZWYAIMU-HNNXBMFYSA-N 311.410 3.485 0 40 DGAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc2c(c1)CCC2 7217542 MGRBGKLFMMNHJQ-UHFFFAOYSA-N 319.401 3.135 0 40 DGAB CCNc1nnc(SCc2nnc(-c3ccccc3)o2)s1 7246861 OVFCBOJKVMCMIW-UHFFFAOYSA-N 319.415 3.312 0 40 DGAB Cn1c(SCC(=O)Nc2cccc(F)c2)nc2ccccc21 8133452 JVIZNTDNDNLPDL-UHFFFAOYSA-N 315.373 3.443 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c(C)c1C 8714826 OSJBXRZKWOETGO-RISCZKNCSA-N 311.447 3.169 0 40 DGAB Cc1ccc(-c2nnn(CN(C)[C@H](C)c3ccccc3)n2)cc1 9315011 XYIFRTQHIFCRFS-OAHLLOKOSA-N 307.401 3.299 0 40 DGAB COC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1OC2 9721579 FRUFGUSVHFJHFT-SNVBAGLBSA-N 303.383 3.072 0 40 DGAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)[C@@H]1CCOC1 12156720 LNZLQZOUYWWWPB-ZBFHGGJFSA-N 315.413 3.366 0 40 DGAB Cc1ccc2c(c1)CCCN2CC(=O)NCc1cccs1 16338928 UCCJSEOCTYECCB-UHFFFAOYSA-N 300.427 3.126 0 40 DGAB COc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Cl 16780311 MIPTWGGXZFGTNH-UHFFFAOYSA-N 323.801 3.100 0 40 DGAB CN=[S@](=O)(c1ccccc1)[C@@]1(C)CC(C)=C(C)C[S@@]1=O 17142720 MAVIGTCNEJVHOW-BEVDRBHNSA-N 311.472 3.348 0 40 DGAB O=C1N[C@]2(CCc3ccccc31)CCN(Cc1ccccc1)C2 19371888 HXKIYFMECACYHW-HXUWFJFHSA-N 306.409 3.007 0 40 DGAB C[C@H]1CCc2noc([C@H]3CCCN(C(=O)c4ccco4)C3)c2C1 19497160 HLQYTZPYJWCHLH-STQMWFEESA-N 314.385 3.412 0 40 DGAB O=C(O)[C@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc(Cl)c1 20282946 GPMRWWDIUGJBIG-LEWSCRJBSA-N 307.777 3.198 0 40 DGAB Cn1cc(C(=O)NC2CCCCCC2)c(=O)c2cc(F)ccc21 22236149 UWYDYWHHISXUHU-UHFFFAOYSA-N 316.376 3.130 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)N(C)C1CCC(C)CC1 25626983 ABQKZTIFKCSCEJ-UHFFFAOYSA-N 316.445 3.152 0 40 DGAB Cc1nc2ccccc2nc1S[C@H](C(N)=O)c1ccccc1 28191714 MBQQIRGGCBITBP-HNNXBMFYSA-N 309.394 3.257 0 40 DGAB COc1cccc(CNC(=O)c2cn[nH]c2-c2ccccc2)c1 28954417 ALOXSBXNLOUJMK-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB O=C(Cc1cccs1)Nc1cccc(Cl)c1-n1cncn1 32816776 WVHYRNJQQGHJGZ-UHFFFAOYSA-N 318.789 3.163 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN(C(=O)NC(C)C)C2)c(C)c1 32912968 VRAFJMNOOFOWQM-HNNXBMFYSA-N 317.433 3.072 0 40 DGAB CC(C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 33066891 GLYWDPHNOPVJHM-UHFFFAOYSA-N 308.381 3.488 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N[C@H](C)Cc1cccs1 33205704 CELNVXSBDFXJSV-VQCYPWCPSA-N 323.849 3.204 0 40 DGAB Cc1cccc(/C=C/C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c1 40107577 HEDMPZXLXUPWHV-NXVGNOFTSA-N 300.446 3.102 0 40 DGAB O=C(Nc1ccc2nc[nH]c2c1)c1ccc(Br)o1 40285441 VDLMUWLIMLABJH-UHFFFAOYSA-N 306.119 3.171 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 40457462 CJGZCAHPPTVSGV-YOEHRIQHSA-N 303.402 3.259 0 40 DGAB O=C(CC1CCCC1)Nc1cccc(CN2CCCC2=O)c1 40501903 TYKGOAYPXOSYMG-UHFFFAOYSA-N 300.402 3.328 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCO[C@@H]2CCCC[C@@H]21 41110734 GVGZZFIAHVDCJN-JKSUJKDBSA-N 312.369 3.125 0 40 DGAB CCCCNC(=O)N1CCC[C@@H](c2nc(CCCC)no2)C1 41122496 KKWIFYPQDXHUTO-CYBMUJFWSA-N 308.426 3.101 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2csc(C(C)C)n2)no1 43013469 XDSODZZCEVWLHH-CQSZACIVSA-N 319.430 3.469 0 40 DGAB CCOC(=O)c1cnc2c(cnn2C)c1NCc1ccc(C)cc1 43804380 PTPHNSWVYBIGEU-UHFFFAOYSA-N 324.384 3.066 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875095 RKBCNPQNBCOYKB-BLLLJJGKSA-N 315.417 3.279 0 40 DGAB Cc1ccc(C(=O)c2cccc(I)c2)cn1 45029070 IAFACIVWPAGQFZ-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCOC(=O)c1c(C)[nH]c2ccc(OC(=O)[C@H]3C[C@@H]3C)cc12 45762252 PSWWGQJGCGQJPZ-CABZTGNLSA-N 301.342 3.214 0 40 DGAB O=C(Nc1cccc(Cl)c1)c1cc2c([nH]c1=O)CCCC2 49551159 UGXXPUMVFXAWDL-UHFFFAOYSA-N 302.761 3.159 0 40 DGAB CN(CCNC(=O)c1ccc(Cl)cc1)Cc1ccccc1 52867379 DZKQLQVIZFRZDB-UHFFFAOYSA-N 302.805 3.202 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1 58007199 PNIAXQCCLWCZEW-OGHNNQOOSA-N 302.418 3.385 0 40 DGAB Cc1cc(NC(=O)N(Cc2ccncc2)Cc2cccnc2)no1 58014308 GMHUJDMUFLBXEE-UHFFFAOYSA-N 323.356 3.007 0 40 DGAB c1ccc2c(c1)CCC[C@H]2Sc1nnnn1C[C@@H]1CCCO1 58987229 STGRJIRVRWGKOG-DZGCQCFKSA-N 316.430 3.022 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C[C@H]1CCCO1 61735485 IVDVZCPEGVUQDM-LLVKDONJSA-N 316.323 3.279 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CC=C(c2ccccc2)CC1 65489678 GJVMEUNZXGNKFH-UHFFFAOYSA-N 311.385 3.290 0 40 DGAB O=C(Cc1ccccc1O)N[C@@H](c1ccccc1)c1ccccn1 65522309 LEBFXUVALHSQJV-FQEVSTJZSA-N 318.376 3.236 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1cccc(F)c1)c1cc2ccccc2oc1=O 67091887 RKSAUQOFHVWGEW-GOEBONIOSA-N 323.323 3.218 0 40 DGAB COc1ccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)cc1 67800483 QOWULEZIYCNQTC-UHFFFAOYSA-N 320.433 3.184 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C(C)(C)C)c(C)c2)CC1 69178887 SIGUNHWDRRIPKC-UHFFFAOYSA-N 303.450 3.122 0 40 DGAB CCCN1CCC(N(C)C(=O)Nc2cccc(OC)c2)CC1 69418727 OPUIDXWQKZQNTA-UHFFFAOYSA-N 305.422 3.033 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@@H](n4ccnc4)C3)c[nH]c12 69819810 USCZHHCNPVJXSO-OAHLLOKOSA-N 322.412 3.404 0 40 DGAB O=C(NC[C@@H]1CCOC1)[C@H]1C[C@H]1c1cccc(Cl)c1Cl 71894082 LAWNLHIZSFSDGV-DLOVCJGASA-N 314.212 3.250 0 40 DGAB Cc1ncsc1CN(C)C(=O)Cc1c[nH]c2ccc(F)cc12 71908516 QDEJBZLDNOLBSI-UHFFFAOYSA-N 317.389 3.273 0 40 DGAB C[C@@H](NC(=O)Nc1cnn(-c2ccccn2)c1)c1ccccc1 71921429 SIFGJUIQDBGHIN-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB COc1cccc(-c2cc(-c3cccs3)nc(N)n2)c1OC 71978365 LYUCGWPBHYYOSB-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB Cc1cc(-c2cc(=O)n(Cc3ccccc3)nc2C2CC2)on1 72340381 WPWHXQURIFEZFC-UHFFFAOYSA-N 307.353 3.132 0 40 DGAB Cc1nccc(N2CCC[C@H]2c2cccc(-n3ccnc3C)n2)n1 72355617 IIYGJJYWVJWXQU-INIZCTEOSA-N 320.400 3.016 0 40 DGAB CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccccc2F)C1 72361689 COUXYENZKRZJDB-CYBMUJFWSA-N 315.348 3.134 0 40 DGAB CC(=O)N1CCC(c2nccnc2Oc2ccccc2C)CC1 72365846 XWOUZVCJMDSYHW-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NC1CCC(CC)CC1 73743201 KQVVFANTQRFKAS-UHFFFAOYSA-N 302.418 3.273 0 40 DGAB O=C(Cc1c(Cl)cccc1Cl)N1CC[C@]2(CCOC2)C1 79093736 QRYKMQSPKLBJML-HNNXBMFYSA-N 314.212 3.175 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)c1ccc2c(c1)OCCCO2 84640960 VTQPOMGMRVOSTD-LBPRGKRZSA-N 317.410 3.270 0 40 DGAB C[C@H](NC(=O)Nc1ccn(C)n1)c1ccc(-c2cccnc2)cc1 84651641 NLQIRTHRWJTWAB-ZDUSSCGKSA-N 321.384 3.365 0 40 DGAB CCCC(=O)Nc1cccc(NCC(=O)NCCC(C)(C)C)c1 84739913 UYDJVDBALLMBBZ-UHFFFAOYSA-N 319.449 3.390 0 40 DGAB N[C@@H]1CC[C@H](C(=O)N(Cc2cccs2)Cc2cccs2)C1 91548957 DFAGGRNUCBTZOP-QWHCGFSZSA-N 320.483 3.466 0 40 DGAB O=C1COc2cc(NCc3cccc4cccnc34)ccc2N1 95352966 WBLISPMOELFUQG-UHFFFAOYSA-N 305.337 3.178 0 40 DGAB CN(C)CCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCCC3 95476042 DOLAUFNHJMLOBS-UHFFFAOYSA-N 313.445 3.118 0 40 DGAB Cc1ccc2cc(Cl)n(S(=O)(=O)c3ccccc3)c2n1 95920021 SGMDHZKGUDGYMY-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB Cc1cc2ncnc(N3CCC[C@@H]4CN(C)CC[C@@H]43)c2cc1C 95945046 FBRXTDRODTUKNO-QAPCUYQASA-N 310.445 3.167 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NCc1nc2ccccc2n1C 95978165 MMTMZEVHAJUWKP-KDOFPFPSSA-N 309.413 3.175 0 40 DGAB CCC[C@H](NC(=O)NC[C@H](O)c1cccs1)c1ccccn1 96415450 YPNTWTYVFYBCLQ-KBPBESRZSA-N 319.430 3.017 0 40 DGAB COC(=O)[C@@]1(C)CCN(C(=O)Nc2cccc(C)c2Cl)C1 96470906 SFAHBRGUMJBPFF-HNNXBMFYSA-N 310.781 3.065 0 40 DGAB C[C@H]1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C[C@H](C)C1 96483748 GTSYWXVUBMCYIZ-QWHCGFSZSA-N 315.417 3.471 0 40 DGAB O=C(c1ccoc1)N1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 97046132 BMUDWXIWKMHZTG-AWEZNQCLSA-N 322.368 3.085 0 40 DGAB CC(C)N1CCC(N[C@@H]2CCN(C)[C@@H]2c2ccc(F)cc2)CC1 97082161 MPZYUJICJIIXGD-RTBURBONSA-N 319.468 3.033 0 40 DGAB COc1ccc(NC(=O)NC[C@H](C)c2nc(C)cs2)c(C)n1 97113389 CGCIDGMVELARBK-VIFPVBQESA-N 320.418 3.089 0 40 DGAB Cc1nc(C(=O)OC[C@@H]2CC[C@@H](C)O2)c(-c2ccccc2)o1 97376740 QYFQRHCHFANQOD-RISCZKNCSA-N 301.342 3.374 0 40 DGAB Cc1noc(C)c1CNC(=O)Nc1cc(Cl)cc2c1OCC2 97380053 OCZSADHRJSMLHF-UHFFFAOYSA-N 321.764 3.201 0 40 DGAB Cc1ccc(NS(=O)(=O)c2c(F)cccc2Cl)c(C)n1 153507763 XWLVAIMYPSHLGE-UHFFFAOYSA-N 314.769 3.292 0 40 DGAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1ccc(C)cc1 199524995 FXNLODVDHBUFIQ-ZDUSSCGKSA-N 300.291 3.475 0 40 DGAB COc1ccc([C@@H](C)NC(=S)Nc2ncccc2OC)cc1 225467548 CVGKQCGNTUDVII-LLVKDONJSA-N 317.414 3.146 0 40 DGAB COc1ccc(CCCNC(=O)c2ccc(OC)c(C)c2)cc1 225769869 MOPUGSGJEIOURH-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@H]1c1ccncn1 257210718 BVVUKCDXGRXDQA-KRWDZBQOSA-N 304.353 3.002 0 40 DGAB CC(=O)Nc1cccc(N[N+](=O)c2cccc(NC(C)=O)c2)c1 367630311 ULOPITUHYOMTRR-UHFFFAOYSA-O 313.337 3.041 0 40 DGAB COc1cccc(NC(=S)Nc2cccc3cnncc23)c1 408974954 GNOXJSJYJDVMTR-UHFFFAOYSA-N 310.382 3.447 0 40 DGAB O=C(NC1(C(F)(F)F)CCC1)N(Cc1ccncc1)C1CC1 585079569 IUOMULBGZQKURD-UHFFFAOYSA-N 313.323 3.241 0 40 DGAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(N=S(C)(C)=O)c1 585090963 GGTUTBXZLGHFNX-LBPRGKRZSA-N 312.435 3.045 0 40 DGAB CC(C)CN1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 585100033 CTLKWYFZWMQMCP-QGZVFWFLSA-N 321.490 3.146 0 40 DGAB C[C@H](O)CCCCCC(=O)NC[C@H](C)Oc1cccc(F)c1 585132288 SJUHPDCGDRFSEF-KBPBESRZSA-N 311.397 3.041 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3ccc(Cl)cc3o2)C1 1889114243 KJFUXKGUGVNHNN-SNVBAGLBSA-N 321.808 3.222 0 40 DGAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)N1CCCC1 79810 ZXXNKEDFXAKNHH-UHFFFAOYSA-N 314.621 3.431 0 40 DGAB CCCN1C(=O)[C@@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 89301 MUFDUDIYFCCFGJ-HXUWFJFHSA-N 323.392 3.212 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(OC(C)C)nc2)on1 53402514 OAHNSZBAPCTGSF-AWEZNQCLSA-N 315.373 3.143 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc(F)cc2)cc1OC 3524088 AVAHEOIQURRNGG-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB COc1ccccc1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 23547806 XUSJFULOJUYQFY-NSHDSACASA-N 305.324 3.393 0 40 DGAB CN(CCNC(=O)CSc1ccccc1)c1ccccc1 53207279 NAMVKMVNEOLMOD-UHFFFAOYSA-N 300.427 3.031 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)n1C 23564991 TWRSWWFILSUGOM-AWEZNQCLSA-N 308.385 3.010 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](C)N1CCc2ccccc2C1 8118314 ZISVAMNBWWKRNZ-HNNXBMFYSA-N 324.424 3.389 0 40 DGAB Cc1[nH]c2ccc(Cl)cc2c(=O)c1I 8626694 JUXWCUNUJNDZMA-UHFFFAOYSA-N 319.529 3.095 0 40 DGAB CCNC(=O)c1ccc(SCc2cn3ccccc3n2)cc1 24926248 DAKSXMPNWPCMSV-UHFFFAOYSA-N 311.410 3.376 0 40 DGAB O=S(=O)(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 25375043 VPDWHHKLOGXZSC-DTWKUNHWSA-N 313.366 3.148 0 40 DGAB Cc1ccc(CC(=O)N2CCN(C)C[C@@H]2c2ccccc2)s1 57042546 UBBMBJXPNWDEQP-QGZVFWFLSA-N 314.454 3.114 0 40 DGAB CC(C)N(C(=O)COC(=O)/C=C/c1ccco1)c1ccccc1 3297330 GCINWWNYGAUBBJ-ZHACJKMWSA-N 313.353 3.278 0 40 DGAB COc1ccc(NC(=O)COC(=O)c2ccccc2Cl)cc1 1943561 OJBNFRJJZCQYOP-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)[C@H]1CC=CCC1 58195773 TUADSHGSRJLZLJ-MOPGFXCFSA-N 312.457 3.371 0 40 DGAB O=C(O)[C@H]1C[C@H]1C(=O)N(Cc1cccs1)Cc1cccs1 37827888 DNCSHJZIKVHEGL-OLZOCXBDSA-N 321.423 3.059 0 40 DGAB C[C@H]1CCCN(C(=O)Nc2ccc(OCC(F)(F)F)nc2)C1 48200219 ZCUZCNIAYWKYTB-JTQLQIEISA-N 317.311 3.287 0 40 DGAB O=C(O)/C=C/CC(=O)Nc1ccc(OCc2cccs2)cc1 44980388 CNFPCHMSANGDOR-ORCRQEGFSA-N 317.366 3.297 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)c2ccc(C)o2)n1 44951314 DEYBXKZNRJXJKH-NHYWBVRUSA-N 318.421 3.098 0 40 DGAB CC(C)Cn1nccc1NC(=S)NCCc1ccccc1 10634126 AWNAIVQOIBESMY-UHFFFAOYSA-N 302.447 3.068 0 40 DGAB Cc1sc(C2CC2)nc1-c1ccc(NS(C)(=O)=O)cc1 28335240 SGLXYEWIDNDQRN-UHFFFAOYSA-N 308.428 3.367 0 40 DGAB O=C(COC(=O)C1CCCCC1)N[C@@H]1CCCc2ccccc21 3377067 XYFSBEDAGNOVDC-QGZVFWFLSA-N 315.413 3.304 0 40 DGAB Cc1n[nH]c(S[C@@H](C(=O)NC2CCCCCCC2)C(C)C)n1 28473239 LBIVWMWQJRTRPW-CQSZACIVSA-N 324.494 3.459 0 40 DGAB CCOc1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3360297 OOCUSRVHCIQFGU-UHFFFAOYSA-N 323.352 3.046 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(C)s2)cc1 3384806 XODNHFUIOWKDMS-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB CC(C)[C@@H](CNC(=O)Nc1nccs1)Nc1ccccc1 45485282 DKGHJNMGMQGBMQ-CYBMUJFWSA-N 304.419 3.401 0 40 DGAB CCCCOc1ccc(S(=O)(=O)n2cccn2)cc1C(C)C 11566003 YXAYYRSYKFJBDQ-UHFFFAOYSA-N 322.430 3.422 0 40 DGAB COc1ccc(CCNC(=O)Cc2c[nH]c3ccccc23)cc1 12893492 CZMOKBVBQZHPJQ-UHFFFAOYSA-N 308.381 3.078 0 40 DGAB biogenic CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H](C)Cn1cccn1 46464393 RJDNACCQZXSIAV-JSGCOSHPSA-N 318.446 3.052 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c(Cl)c1 20139413 CZSIVKJLPKTFIF-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2C)c1C 3481673 JZQPIDSJFDOABP-UHFFFAOYSA-N 300.358 3.369 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c1C 3470772 OGWQTCBVDAORHV-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccccc1F 38103975 BQGPVYCPJVPHAN-UHFFFAOYSA-N 311.382 3.021 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 13171283 BFVQWBBJCYLVQM-GFCCVEGCSA-N 317.316 3.023 0 40 DGAB OCCSc1nc2ccccc2n1CCOc1ccccc1 4094870 MRVUCSYJWZHIBT-UHFFFAOYSA-N 314.410 3.200 0 40 DGAB O=S(=O)(Oc1cccc2cccnc12)c1ccc(F)cc1 4278955 CXKQPVBWVQFMHF-UHFFFAOYSA-N 303.314 3.142 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccccc1 14083274 MITHJFCHZCHDFZ-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB CN(C(=O)COC(=O)c1cc2ccccc2o1)C1CCCCC1 6456396 CSCTULYNQMWQIS-UHFFFAOYSA-N 315.369 3.381 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccccc2OC(F)F)c1 9049062 OJVPISQCULKHCS-UHFFFAOYSA-N 321.279 3.327 0 40 DGAB O=C(Nc1ccc2oc(=O)ccc2c1)N1CCC[C@@H]1c1ccc[nH]1 65804633 GMZUCPDLGWROGG-OAHLLOKOSA-N 323.352 3.490 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)CCCc2cccs2)cn1 71797030 VZPAADGVVLTNBX-OAHLLOKOSA-N 303.431 3.168 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2c(C(N)=O)oc3ccccc23)c1 4851905 BQZJBUKDWASQKI-UHFFFAOYSA-N 308.337 3.401 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2cccc(F)c2)c(C)c1 7492416 TYDURVGJLKDIKE-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=S)NC1CC(C)(C)NC(C)(C)C1 7570379 DXMZXLDBDTUPSJ-JSGCOSHPSA-N 311.539 3.338 0 40 DGAB Cc1cc(C(=O)Nc2cc(C3CC3)nn2-c2ccccc2)n(C)n1 69379185 OYIRTQGYBQKMBO-UHFFFAOYSA-N 321.384 3.044 0 40 DGAB FC(F)(F)c1cccc(NCc2nncn2-c2ccccc2)n1 91429948 WCVYFOCCTKDXMD-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc(-n2cccn2)c1 74037449 AFOFZXUSXWWXPL-MFKMUULPSA-N 324.211 3.243 0 40 DGAB O=C(Cn1cnc2sccc2c1=O)c1cccc2ccccc12 8428950 VLTPXZQZTYLJSJ-UHFFFAOYSA-N 320.373 3.494 0 40 DGAB Cc1nnc([C@@H](C)N2CCN(Cc3ccccc3)C(C)(C)C2)o1 69698854 ZROLJIHPUMLDMN-CQSZACIVSA-N 314.433 3.035 0 40 DGAB CCCOCC(=O)N1CC=C(c2c[nH]c3cc(F)ccc23)CC1 71831125 WMSDDMPEQOSIFM-UHFFFAOYSA-N 316.376 3.349 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)CC(C2CC2)C2CC2)c1 71869919 UWZLVTMMJCJDMF-MRXNPFEDSA-N 301.434 3.009 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)Nc2cccc(OC)c2)s1 27931688 PFRBVLKUAJXUPX-UHFFFAOYSA-N 319.386 3.062 0 40 DGAB Cc1c(C(=O)NCCCN2CCCCC2)oc2ccc(F)cc12 9835623 INRYBTGEBIHXRF-UHFFFAOYSA-N 318.392 3.486 0 40 DGAB CCN(C[C@H](O)c1ccc(C)cc1)C(=O)c1ccc(Cl)cn1 87482050 OIJXQFJEZWEXIF-INIZCTEOSA-N 318.804 3.239 0 40 DGAB CC(C)OC[C@@H](O)COc1ccc(Cl)c2c1C(=O)C[C@H]2C 95974918 NNRFKKBZRAKGEM-GHMZBOCLSA-N 312.793 3.195 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2cccnc2)cc1OCC 69009300 OABKGUKHTHBIQP-ZDUSSCGKSA-N 314.385 3.370 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)c1ccccc1S(C)(=O)=O 69294613 FMGQSSKUGBSCRG-ZDUSSCGKSA-N 311.447 3.035 0 40 DGAB O=C(CCc1ccccc1)NCc1ccccc1-n1ccnc1 30754335 FJZZOESCNOXOGC-UHFFFAOYSA-N 305.381 3.121 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 36635361 ORWYSTNPJGFXGL-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB CC(=O)c1ccc(OC[C@H](O)CNc2ccc(Cl)cc2)cc1 32593323 FAQQCUOUVVWYPA-MRXNPFEDSA-N 319.788 3.394 0 40 DGAB CCc1noc(C)c1NC(=O)N1CC2(CCOCC2)[C@H]1C(C)C 521409931 HORBRVIZRKEXJK-OAHLLOKOSA-N 321.421 3.214 0 40 DGAB COc1ccccc1CNC(=O)NCCc1ccc(Cl)cc1 30986606 MGPNOHBXYSLRSC-UHFFFAOYSA-N 318.804 3.391 0 40 DGAB Cc1c(Cl)ccc2c(=O)c(I)c[nH]c12 72207171 YIGDOAYGKXONGL-UHFFFAOYSA-N 319.529 3.095 0 40 DGAB O=C(NCc1ccccc1)N[C@H](CN1CCCC1)c1ccccc1 36395730 QJAIDXKWYZMCCF-LJQANCHMSA-N 323.440 3.323 0 40 DGAB COCCC(=O)Nc1ccc(Cl)cc1OCC(F)(F)F 71070268 DBNIDFJWLWIRLS-UHFFFAOYSA-N 311.687 3.256 0 40 DGAB COC(=O)/C=C/c1ccc(OCc2csc(C)n2)c(OC)c1 43929674 AWTHTZMFKVNQNE-FNORWQNLSA-N 319.382 3.225 0 40 DGAB CC(=O)Nc1cc(C(=O)O[C@@H](C)c2nccs2)ccc1F 80353948 TXSJBYAPPUSCMY-QMMMGPOBSA-N 308.334 3.159 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)N[C@H](C)CC 225131020 IZVMMCDXABGCMC-HZPDHXFCSA-N 318.461 3.427 0 40 DGAB CCOC(=O)c1nc(-c2ccccc2Br)ns1 199565879 NGVYAODENDQLNG-UHFFFAOYSA-N 313.176 3.144 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccccc1Cl 42646213 TZGKBXIXKSDRMM-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB COc1cccnc1NC(=S)NCc1ccccc1Cl 225372862 RLUOWJZRQARRKZ-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB Cc1ccc2[nH]c(C(=O)N(C[C@H](C)C(=O)O)C3CC3)cc2c1C 195551866 AZUJBMHTWUVCSR-NSHDSACASA-N 314.385 3.110 0 40 DGAB CCOc1ccc(C2=CCN(c3nc(C(=O)O)co3)CC2)cc1 571764014 PCQJIAYWZPTKKT-UHFFFAOYSA-N 314.341 3.065 0 40 DGAB COc1c(NC(=O)Nc2cccc(C)c2Cl)c(C)nn1C 88392109 KGPBYGWHDAPMRW-UHFFFAOYSA-N 308.769 3.343 0 40 DGAB CCN(CC)CCC[C@H](C)NC[C@@H](C)C(=O)OC(C)(C)C 47219101 IBKWXUJBWVTAIY-CABCVRRESA-N 300.487 3.064 0 40 DGAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C(C)(C)C)ccc1O 49547051 ZLSZXLBBXLLOQM-LLVKDONJSA-N 315.373 3.476 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)N[C@H](C)CC 223081330 CINNGCPKEZWWNM-OLZOCXBDSA-N 324.852 3.382 0 40 DGAB Cn1cc(NC(=O)N2CCCc3ccccc3CC2)c(C2CC2)n1 333053790 CBTJUSMMYYXORG-UHFFFAOYSA-N 324.428 3.320 0 40 DGAB Cc1cccc(OCC(=O)NCCSC2CCCC2)c1C 223181138 USKGXBRSAMENDM-UHFFFAOYSA-N 307.459 3.474 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)c1cccc(-n2cccn2)n1 96413177 DSTROCDLCSWJKJ-LBPRGKRZSA-N 312.398 3.162 0 40 DGAB CCOC(=O)c1sc(CNC(=O)C=C2CCCCC2)nc1C 96455983 ZCSBYKSDYQPQFI-UHFFFAOYSA-N 322.430 3.135 0 40 DGAB CC(=O)NCc1ccc(C(=O)Oc2ccc(C)cc2Cl)o1 96418975 MNSHXKCCPYJJKO-UHFFFAOYSA-N 307.733 3.097 0 40 DGAB O=Cc1ccc(-c2[nH]c3cc(F)cc4c3c2CCNC4=O)cc1 95643057 OTDOQRYPYDPPNO-UHFFFAOYSA-N 308.312 3.072 0 40 DGAB O[C@H](CCC1OCCCO1)c1cccc(Br)c1 95728408 QTVYVEDNUOLGSZ-GFCCVEGCSA-N 301.180 3.026 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N1CCC[C@@H]1c1cccnc1 96410942 XSQWATQKRMPGSI-SJORKVTESA-N 302.418 3.483 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(-c3cccnc3)no2)cc1 96100809 IHFJVTVPHKUCSY-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1ccccc1F 96408328 BGBIQTQFCFPIDG-NRFANRHFSA-N 305.374 3.265 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C(N)=S 90586751 BHPWNHCGNFMQBR-STQMWFEESA-N 306.431 3.066 0 40 DGAB CC(C)c1cc(C(=O)NC2CCCC2)nc(N2CCCCC2)n1 96101116 KNLUCSDPIZBAPP-UHFFFAOYSA-N 316.449 3.263 0 40 DGAB C1=C(CN2CCC[C@@H](Cc3ccn[nH]3)C2)COc2ccccc21 257232313 GKIILHVYIYFKAB-HNNXBMFYSA-N 309.413 3.140 0 40 DGAB COc1cccc(F)c1CN1CCC(c2cncc(C)n2)CC1 257237832 HIJHYGQEVKPICT-UHFFFAOYSA-N 315.392 3.312 0 40 DGAB Cc1nc(C(=O)N[C@H](c2ccc(Cl)nc2)C2CC2)c(C)o1 585088178 NTJYIQLVRSZWGI-AWEZNQCLSA-N 305.765 3.221 0 40 DGAB CC(C)Nc1cccc(F)c1NC(=O)[C@H](C)OC[C@@H]1CCCO1 585127085 PPZLNPRSHIORFW-STQMWFEESA-N 324.396 3.169 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)CCCCC[C@@H](C)O)cc1 585121434 PEFOQDTUVMTHCR-MRXNPFEDSA-N 321.461 3.464 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CCC[C@@H]2[C@H]2CCCO2)c(C)o1 252484451 FWOSYSRPIKNZCO-APHBMKBZSA-N 306.406 3.310 0 40 DGAB CCOC(=O)c1cccc(NC(=S)N[C@H]2C[C@H]3CC[C@H]2C3)c1 260658752 COUQADFBBDPWTB-HUBLWGQQSA-N 318.442 3.338 0 40 DGAB COc1cccc([C@H](CNC(=O)Nc2ccc(F)cc2)OC)c1 96390635 BPVAXDFDBWBXPC-INIZCTEOSA-N 318.348 3.344 0 40 DGAB Cc1ccc(Cl)c(OCC2(O)CCN(C3CCC3)CC2)c1 585281592 MEGLYTYPEZBAER-UHFFFAOYSA-N 309.837 3.407 0 40 DGAB Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCCN3)cc2)cc1 953048720 ISUTYKSHLHGUGM-FQEVSTJZSA-N 308.425 3.202 0 40 DGAB O=C(Cc1cccs1)NCCc1c[nH]c2cc(F)ccc12 50767157 UVZVEZPBLUJPLJ-UHFFFAOYSA-N 302.374 3.270 0 40 DGAB CC[C@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1cccs1 57242383 NPLIQDUBSZNSNZ-QWHCGFSZSA-N 318.446 3.310 0 40 DGAB CC1CCN(C(=O)c2ccc(NCCc3ccccn3)nc2)CC1 75610847 PTBHIEDAZNSVER-UHFFFAOYSA-N 324.428 3.003 0 40 DGAB O=C1CCc2cc(-c3cccnc3)cc(Br)c2N1 95556382 HYNLMTDSFSQFFT-UHFFFAOYSA-N 303.159 3.396 0 40 DGAB Cc1cnc(OC2CCN(Cc3ccc(F)c(F)c3)CC2)nc1 653800061 GZUOQUVKDBSWQO-UHFFFAOYSA-N 319.355 3.107 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)/C=C/c2ccccc2)c1 3390963 WSBFFTBLWPJLRI-CMDGGOBGSA-N 309.365 3.499 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)C(=O)c1c[nH]c2ccccc12 5175662 HRZIUWCIBGIRCS-UHFFFAOYSA-N 322.408 3.436 0 40 DGAB CSc1ccc(NC(=O)c2ccccc2C(F)(F)F)nn1 11791950 DDXGHQPSSKXFFL-UHFFFAOYSA-N 313.304 3.470 0 40 DGAB CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2cc(Cl)ccc2O1 12275255 NNSGKJRIAUOMNB-MWHMUSMRSA-N 320.772 3.263 0 40 DGAB Fc1cc(F)cc(Cc2nnc(S)n2Cc2ccco2)c1 12390882 GDJXOJFLZHXMKH-UHFFFAOYSA-N 307.325 3.077 0 40 DGAB C[C@H](Oc1cccc2ccccc12)C(=O)NCc1cccnc1 13709103 YHKCXURSKINJAZ-AWEZNQCLSA-N 306.365 3.319 0 40 DGAB Cc1ccc(NC(=O)c2ccc(N3CCCCC3=O)cc2)nc1 9117937 CJMCVPNCBFXUMY-UHFFFAOYSA-N 309.369 3.159 0 40 DGAB CC[C@H]1CO[C@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 1565550430 CUSBUIVYFBHSJG-RDTXWAMCSA-N 303.402 3.035 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccoc1 1775977266 HYCGJJUBBZIZDD-OAHLLOKOSA-N 313.378 3.472 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)c1ccc2ncsc2c1 206698304 PBRUUAVRAIVGJM-LBPRGKRZSA-N 318.423 3.130 0 40 DGAB O=C(Cc1csc(Nc2ccccc2)n1)NCc1ccco1 16850011 KRNMEFJXEYVILJ-UHFFFAOYSA-N 313.382 3.339 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@H](O)c1ccoc1 75171748 RKKLIJAINWLVHU-IBGZPJMESA-N 321.376 3.339 0 40 DGAB CN(Cc1ccccc1)C(=O)CN(C)[C@@H]1CCc2ccccc21 40049889 LEEAENAFPPICDG-LJQANCHMSA-N 308.425 3.264 0 40 DGAB CN(CCCNC(=O)/C=C/c1ccccc1)Cc1ccccc1 40043398 HNXYATUDISTCJK-BUHFOSPRSA-N 308.425 3.338 0 40 DGAB Cc1nc(C(F)(F)F)ccc1C(=O)NOCc1ccccc1 31616555 VKZGZHQWHCBUSP-UHFFFAOYSA-N 310.275 3.270 0 40 DGAB COc1ccc(C(=O)CSc2nc(C)cc(N)n2)cc1Cl 31745824 TYYHETZLGOWWPU-UHFFFAOYSA-N 323.805 3.004 0 40 DGAB Cc1cc2ncn(C[C@@H](O)Cn3cnc4ccccc43)c2cc1C 51086473 QNZKOYLYZPAHHC-HNNXBMFYSA-N 320.396 3.064 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@H]3C)cc1 32820176 FKBVCFZJBMYZCN-VXGBXAGGSA-N 324.380 3.183 0 40 DGAB COc1ccc(C)cc1CN(C)[C@H](C)C(=O)N1CCCCCC1 32806123 VWILBHPPWXWLFB-MRXNPFEDSA-N 318.461 3.227 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C)cc2)c(OC)c1 335440 WJUZFVLMSHIXKW-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cnc(Cl)c(Cl)c2)cc1 347112 GMMLBUJEIHGZFK-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1cc2cc(CCNC(=O)c3ccccc3)c(=O)[nH]c2cc1C 427757 KWCCYYWGARFSNV-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB COc1cccc(NC(=S)NC(=O)c2ccc(C)cc2C)c1 570471 UCEYGCOGLUGLGJ-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB CC(=O)N1c2ccccc2N(C(C)=O)c2nc3ccccc3nc21 1872320 OIBAZFKGVYYZEA-UHFFFAOYSA-N 318.336 3.312 0 40 DGAB Cn1cc(Cl)c(-c2nnc(Nc3ccc(F)cc3)s2)n1 2743963 FEVWPMWCSUAOQY-UHFFFAOYSA-N 309.757 3.475 0 40 DGAB CC(C)=CC(=O)OCC(=O)c1ccc(Br)s1 3369070 JKRZUUXXLVVBDS-UHFFFAOYSA-N 303.177 3.203 0 40 DGAB O=C(CSc1ccccn1)NC12CC3CC(CC(C3)C1)C2 4835345 RUBKZERMDGYDSU-UHFFFAOYSA-N 302.443 3.259 0 40 DGAB CCc1ccccc1NC(=O)[C@H]1CC(c2cccc(OC)c2)=NO1 5029309 ASPHEOFEYCVRJB-GOSISDBHSA-N 324.380 3.389 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1C)CC2 5272146 NFKMMDXGWPPHKS-UHFFFAOYSA-N 311.381 3.211 0 40 DGAB O=c1c2ccccc2nc(-c2ccccc2)n1C[C@@H]1CCCO1 5875043 CTCQDKUUFIAOCD-HNNXBMFYSA-N 306.365 3.243 0 40 DGAB COc1ccc(NC(=O)CCSc2ccc(F)cc2)cn1 6252419 CYDGTPDICDNRAM-UHFFFAOYSA-N 306.362 3.350 0 40 DGAB CCOc1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 6649667 GYGZAPQNPMEDNP-AWEZNQCLSA-N 310.397 3.475 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCC(C)CC2)cc1 7027242 OVTYLOAPKYRGEH-UHFFFAOYSA-N 305.491 3.403 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2ccc(C)cc2)c(OC)c1 7056800 MJZRMGQDDUWVKU-ZDUSSCGKSA-N 314.385 3.451 0 40 DGAB Cc1ccccc1-n1cnnc1SCCN1CCCCC1 7737143 XZGBYXRHOLRXNX-UHFFFAOYSA-N 302.447 3.154 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)C2(c3ccccc3)CC2)c1 7801109 DPPJVTFHKGUGFD-UHFFFAOYSA-N 309.365 3.452 0 40 DGAB COc1ccccc1CNc1nc(-c2ccccc2)cc(=O)[nH]1 7996464 KZFGNYWLTQGZSX-UHFFFAOYSA-N 307.353 3.058 0 40 DGAB COc1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1 8277240 FLXLIRHTPSGNLV-UHFFFAOYSA-N 306.365 3.416 0 40 DGAB CC(=O)Nc1ccc(Cc2ccc3[nH]c(C)cc(=O)c3c2)cc1 8627492 UUQLUJKPABABLD-UHFFFAOYSA-N 306.365 3.386 0 40 DGAB CCCCC(=O)Nc1ccc(N2CCN(CC)CC2)cc1C 9368313 LFCZCJCMGAQYGY-UHFFFAOYSA-N 303.450 3.266 0 40 DGAB Cc1cnc(NC(=O)c2ccc3c(c2)NC(=O)CCS3)s1 10556316 CBXHWIJXMPNECW-UHFFFAOYSA-N 319.411 3.138 0 40 DGAB Cn1nccc1C(=O)N[C@H]1[C@@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 12162189 CRYPYYFHVZFRLT-MVJTYMMSSA-N 309.413 3.122 0 40 DGAB C[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1ccc2c(c1)CCC2 12194800 QMQMGZNSJRBCIC-GFCCVEGCSA-N 309.413 3.277 0 40 DGAB O=C(Cc1n[nH]c(=S)n1Cc1ccccc1)Nc1ccccc1 12852712 LEUOHPUCVVUEBZ-UHFFFAOYSA-N 324.409 3.170 0 40 DGAB O=C(NC1CC1)c1ccc(NC(=O)c2cc(F)ccc2F)cc1 12912154 VYIPNBRMUCJJGZ-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB O=C1CCCN1c1ccc(CNCc2ccc(F)cc2F)cc1 15581109 IOSJLVPVQQIPHW-UHFFFAOYSA-N 316.351 3.381 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCOc1ccc(Cl)cc1 21904448 ZHXBQCZCJTURAT-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB O=C(NCc1ccccc1Cl)c1c[nH]c2ccccc2c1=O 22233883 AGMWNQFLFULWQV-UHFFFAOYSA-N 312.756 3.112 0 40 DGAB CCOc1ccc(-c2cc(=O)n(Cc3cccc(F)c3)cn2)cc1 22605231 VDPRLZCKBGPHTN-UHFFFAOYSA-N 324.355 3.496 0 40 DGAB CN(Cn1c(=O)oc2ccccc21)C1C2CC3CC(C2)CC1C3 24657571 DTFCDUFNYRBXBQ-UHFFFAOYSA-N 312.413 3.309 0 40 DGAB CN(Cc1ccccc1)C1=CC(=[N+]2CCOCC2)CC(C)(C)C1 25514596 LXQWPIVIZSRLKM-UHFFFAOYSA-N 313.465 3.306 0 40 DGAB O=C(CSc1nc(-c2ccccc2)c[nH]1)N1CCCCC1 27659564 UTFGYSGYXMWMGV-UHFFFAOYSA-N 301.415 3.181 0 40 DGAB CCc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 27663658 YRNAFNOHZHHLID-SNVBAGLBSA-N 309.366 3.036 0 40 DGAB COc1cccc(CC(=O)N[C@@H]2CCCC[C@H]2C(F)(F)F)c1 27864324 BCPJZJNMLDZBJN-ZIAGYGMSSA-N 315.335 3.475 0 40 DGAB CCn1cc(Cl)c(C(=O)Nc2cc(Cl)ccc2OC)n1 28224924 VVEQWURDODMMFT-UHFFFAOYSA-N 314.172 3.471 0 40 DGAB CCN(CC)CCCNc1nnc(-c2ccc(F)cc2)s1 28242204 AAAVTWZCOMGWFP-UHFFFAOYSA-N 308.426 3.488 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)n1 32776675 QTQUBHLJVBXQSA-INIZCTEOSA-N 312.369 3.200 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(C=O)cc2)CC1 35635838 BSZYGTODZAFRDC-UHFFFAOYSA-N 305.374 3.277 0 40 DGAB O=C1c2ccccc2-c2c[nH]c3ccc(N4CCOCC4)c1c23 36559049 KSXOCROYPCMZOD-UHFFFAOYSA-N 304.349 3.216 0 40 DGAB COC(=O)c1cc2c(=O)n([C@H](C)c3ccccc3)ccc2nc1C 38784277 QMIZEYNKSIOMJU-CYBMUJFWSA-N 322.364 3.101 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@H](O)c2ccccc2F)c1 40097760 HFLHAIGAKXHGEE-INIZCTEOSA-N 302.349 3.298 0 40 DGAB COc1cc(NC(=O)/C=C/c2ccccc2)ccc1NC(C)=O 44771717 BSUNYQFWFOUZJS-DHZHZOJOSA-N 310.353 3.306 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1nc(-c2ccccn2)cs1 46131904 HZRPQWNOXHSKRO-NSHDSACASA-N 303.387 3.103 0 40 DGAB COC(=O)c1ccc(NC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 48012575 DBLYVFXAZBWFCT-NSHDSACASA-N 316.332 3.495 0 40 DGAB Cc1nn(CCC(=O)NCc2ccccc2F)c2ccccc12 57280008 MURCLCSEXKOTGK-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB COc1ccccc1C(=O)Nc1nccn1Cc1ccccc1 60558515 VYORMSRELVWRTP-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CCOCCCn1c(NC(=O)c2ccco2)nc2ccccc21 65530799 QRINFYQBEFPETE-UHFFFAOYSA-N 313.357 3.308 0 40 DGAB CN(C(=O)CCC(=O)c1ccc(F)cc1F)c1nccs1 68451686 PFIZDRAPBXWWAV-UHFFFAOYSA-N 310.325 3.047 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 69742315 VIYLRWIABNVFQC-MRXNPFEDSA-N 308.385 3.150 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CCC[C@H](n4ccnc4)C3)cc2c1C 69843587 KKWDDBIZMJMIDR-INIZCTEOSA-N 322.412 3.459 0 40 DGAB O=C([C@H]1Cc2cc(Cl)ccc2O1)N1CCC[C@@H]1c1ccc[nH]1 71818718 SQFQIJZILJUMSU-GDBMZVCRSA-N 316.788 3.335 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)C[C@H](C)n2cccc2)c1 71872002 QGJFMZBXJHKHBC-DLBZAZTESA-N 314.433 3.025 0 40 DGAB COc1ccccc1[C@H]1C[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 71924323 HNHMDEAUOXUVTK-WBVHZDCISA-N 306.365 3.462 0 40 DGAB Cc1cc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2C(F)(F)F)[nH]n1 71962775 ZBLRJWPUGUNTCN-GHMZBOCLSA-N 309.291 3.479 0 40 DGAB C[C@@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 72203889 OQBKQIPWYLIFHE-CYBMUJFWSA-N 305.422 3.132 0 40 DGAB Cc1nn(CCO)c(C)c1CN[C@@H]1CCCCc2ccccc21 72230531 MALKNOHSLUTMSX-LJQANCHMSA-N 313.445 3.050 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NCCCn3ccnc3)cc2)o1 72243337 RUUYJNWUHLQOJK-UHFFFAOYSA-N 309.369 3.272 0 40 DGAB COc1cccc([C@@H](O)CN2CCC(OC3CCCC3)CC2)c1 72286217 UYADEKAIWXWVCW-IBGZPJMESA-N 319.445 3.152 0 40 DGAB COc1ccc(-c2cccc([C@@H]3CCCN(C(C)=O)C3)n2)cc1 72357554 UIUUOQUQHYWQBX-MRXNPFEDSA-N 310.397 3.483 0 40 DGAB CCC(=O)N1CCC(c2cncc(Oc3ccccc3)n2)CC1 72362223 MQRLMCDLPWMPPI-UHFFFAOYSA-N 311.385 3.385 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccc(F)cc2F)ccc1F 74931947 SLXZYEJZPZYMPQ-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CN(Cc1ccccc1NCc1ncnn1C)C1CCCCC1 75105130 DHTOKTWFTIQHFK-UHFFFAOYSA-N 313.449 3.192 0 40 DGAB C[C@H](C(=O)NC1CCCCC1)[S@@](=O)C/C=C/c1ccccc1 78555937 TUSBUFGCFBGEEC-QVPKKETQSA-N 319.470 3.286 0 40 DGAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NC1CCSCC1 79040114 IXLMYLWVYGWOEN-SECBINFHSA-N 317.813 3.258 0 40 DGAB Cc1ncsc1CNC(=O)N[C@@H](C)[C@H](C)c1ccccc1 83214551 JXGNYJTZCJVNOD-RYUDHWBXSA-N 303.431 3.443 0 40 DGAB Cc1nc(C)c(C[S@@](=O)Cc2cn3cccc(C)c3n2)s1 83953292 YHIOOYQOLZATNE-OAQYLSRUSA-N 319.455 3.165 0 40 DGAB COCCn1ccc(NCc2cc(C(F)(F)F)ccc2F)n1 89155700 INPDRWIHWWVLIO-UHFFFAOYSA-N 317.286 3.300 0 40 DGAB O=C(CSc1ccncc1)NCCc1c(F)cccc1Cl 89768035 HAVMKTFWOHEUGW-UHFFFAOYSA-N 324.808 3.325 0 40 DGAB C[C@H](NC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 89894378 HBAPXKDIPMBQQM-DRZSPHRISA-N 322.371 3.222 0 40 DGAB O[C@@H](CN[C@H]1CCc2c(Br)cccc21)c1ccco1 91281847 KTPOAYVGIVDAGN-KBPBESRZSA-N 322.202 3.353 0 40 DGAB C[C@H](Nc1cn[nH]c(=O)c1Cl)c1c(F)cccc1Cl 95406851 DRLFSNGESGXDGP-LURJTMIESA-N 302.136 3.389 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)C1 95411755 ZKKQOXPXKXVBLO-ZIAGYGMSSA-N 320.462 3.492 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@H]2CCc3ccccc32)c1 95422666 QBKSLCXODDZQMT-OALUTQOASA-N 313.397 3.014 0 40 DGAB CCOC(=O)CCCOc1cc(F)c(Br)cc1F 95734223 MTRYNNKQVLMHCO-UHFFFAOYSA-N 323.133 3.449 0 40 DGAB CCOc1cc(S(=O)(=O)Nc2cc(C)ccn2)c(C)cc1C 95946085 DZBCKWZMUNXUNZ-UHFFFAOYSA-N 320.414 3.206 0 40 DGAB CC[C@@H](NC(=O)c1cccc(C(=O)O)c1)c1ncc(C)s1 95976718 FZBUFIKUDMNQET-GFCCVEGCSA-N 304.371 3.031 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc([S@@](C)=O)c(F)c2)o1 95979407 HSICADZAIJPWJL-NRFANRHFSA-N 309.362 3.036 0 40 DGAB O=C(NC[C@H]1CCCO1)Nc1ccc(Cl)c(OC(F)F)c1 96003122 KPDKUUDDRCFMLC-SECBINFHSA-N 320.723 3.242 0 40 DGAB CCOc1ncc(NC(=O)Nc2ccccc2C)c(OCC)n1 96098743 BFHBQRGVFXDECX-UHFFFAOYSA-N 316.361 3.226 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccoc3)CC2)[C@H]1c1ccccc1 96100236 WHJOZVWLPAGLGR-QGZVFWFLSA-N 310.397 3.075 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(CCc3c(O)cccc3O2)C1 96341547 OTNDMWGGRZYTMF-QGZVFWFLSA-N 305.374 3.097 0 40 DGAB CC(C)n1nnnc1CN[C@H](C)c1ccc(C(F)(F)F)cc1 96402677 CJKOMOPRPGFRIC-SNVBAGLBSA-N 313.327 3.124 0 40 DGAB CCC(C)(C)NC(=O)Nc1ccc(OCc2noc(C)n2)cc1 96445974 JQMYXNXPHIKLFF-UHFFFAOYSA-N 318.377 3.267 0 40 DGAB CCc1ccc(C(=O)N[C@@H](c2ccccc2)[C@@H](C)C(=O)O)o1 97018315 IQWZGEXXVZOOIF-IAQYHMDHSA-N 301.342 3.034 0 40 DGAB COC(=O)Nc1ccc(NC2CCN(CC(F)F)CC2)cc1 97084513 LIEWXLWBEYTMID-UHFFFAOYSA-N 313.348 3.006 0 40 DGAB Cc1ncc(CN(C)CCc2ccncc2)n1-c1ccccc1 97113790 RBNCZLZDPYPXSF-UHFFFAOYSA-N 306.413 3.250 0 40 DGAB CCN(CC)C(=O)C1(N[C@@H](C)c2ccccn2)CCCCC1 97231429 ZRHVUWUEMICCBX-HNNXBMFYSA-N 303.450 3.304 0 40 DGAB CCn1cc(N[C@@H](C)c2nc(Cc3ccc(F)cc3)no2)cn1 97377291 KKKDWICKBRNJFK-NSHDSACASA-N 315.352 3.189 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]5C[C@@H]45)[C@H]3C2=O)cc1 169685376 FRINMYWKWPHCRN-OBRKIGFESA-N 323.392 3.033 0 40 DGAB CO[C@H](CNC(=O)c1cccc(Br)c1)c1ccco1 206861223 DTAVOWGRJJWHRQ-CYBMUJFWSA-N 324.174 3.160 0 40 DGAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(F)cc1 224908539 DNZYZNKKXITAQW-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CCOc1cc(Br)cc(C(=O)O)c1OC(C)C 225281806 LCURRDFHTPAOHJ-UHFFFAOYSA-N 303.152 3.333 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc3c(c2)ncn3C)cc1 225891607 HEHWZCQQJPUAKC-GFCCVEGCSA-N 309.369 3.073 0 40 DGAB COc1ccc(C(=O)Nc2ccc([C@@H](C)O)cc2)c(OC)c1 226273448 UZSAOMICOGAFSJ-LLVKDONJSA-N 301.342 3.009 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3nc(N)sc3c2)cc1 226311681 HFNACAYCFVBIIJ-UHFFFAOYSA-N 313.382 3.204 0 40 DGAB Cc1nn(C(C)C)cc1NCc1cn(C)nc1C(F)(F)F 256053489 RQJOBBIRQFDSBM-UHFFFAOYSA-N 301.316 3.137 0 40 DGAB Cc1cc(C(=O)N2CC[C@H](Cc3ccnc4ccccc34)C2)no1 257226055 FIXRNSPSKDWNIU-CQSZACIVSA-N 321.380 3.236 0 40 DGAB Cc1ncc(CN(C)C)c([C@@H]2CCCN2CCc2ccccc2)n1 257318830 VPOKEPYVDPTRGA-IBGZPJMESA-N 324.472 3.226 0 40 DGAB O=C(NCc1ccno1)c1ccc(Cl)cc1C(F)(F)F 390833978 PVAVMIUXBCYNCZ-UHFFFAOYSA-N 304.655 3.277 0 40 DGAB O=C(c1ccc(Cl)cc1)C1CCN(CC2(C(=O)O)CC2)CC1 566358653 KCTOWAHIAALWTM-UHFFFAOYSA-N 321.804 3.100 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@H](CO)Cc2cccc(F)c21 585126678 FSHHESCEUDSJHX-LLVKDONJSA-N 315.344 3.108 0 40 DGAB Cc1c[nH]nc1C[C@@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 585182120 MXHMHRAUJAQHRL-INIZCTEOSA-N 323.440 3.231 0 40 DGAB c1ccc2oc(N3CCN(Cc4cc(C5CC5)on4)CC3)nc2c1 1849098077 WPCAZIFIRQTPIL-UHFFFAOYSA-N 324.384 3.015 0 40 DGAB Cc1ncnc(C(=O)Nc2ccccc2Br)c1C 1888856759 LBIDIVJUQBRVBI-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CCc1ccc(C(=O)c2c[nH]c3ccc(OC)cc3c2=O)cc1 248791 JKBWYPZBYIHLRU-UHFFFAOYSA-N 307.349 3.330 0 40 DGAB CCc1nnc(NC(=O)c2ccc(C(F)(F)F)cc2)s1 363825 GGPJXGBDBRFGTC-UHFFFAOYSA-N 301.293 3.372 0 40 DGAB Cn1cc(Br)c(C(=O)Nc2cccc(Cl)c2)n1 369262 NVKHMHLJQKEGSW-UHFFFAOYSA-N 314.570 3.088 0 40 DGAB C[C@@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 567829 FPYQCMFEJNVIJT-SNVBAGLBSA-N 320.458 3.491 0 40 DGAB C[C@@H]1CCc2cc(F)ccc2N1C(=O)CSc1ncccn1 1371918 KWYGOHXRJUAPOQ-LLVKDONJSA-N 317.389 3.076 0 40 DGAB CC(C)N(C(=O)COC(=O)/C=C/c1ccc(F)cc1)C(C)C 3271636 FWEXRVMZRYCDFW-JXMROGBWSA-N 307.365 3.028 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)c(C)c1 3315301 AQMQLFNQRSTMRK-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB Cc1cccc([C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)c1 4241623 ITBNRQXFHZCACB-UONOGXRCSA-N 305.374 3.030 0 40 DGAB Cc1cccc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)c1 4288922 RKPISZITWLBBJM-FQEVSTJZSA-N 322.408 3.438 0 40 DGAB CCCN1C(=O)[C@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 4554666 ACVUNIAZKVWVRX-VLIAUNLRSA-N 323.392 3.150 0 40 DGAB COc1ccccc1OCC(=O)Nc1ccccc1SC 4741082 KFBRDZBRAPUKKG-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB C[C@H](Sc1nc2ccccc2[nH]1)C(=O)Nc1nccs1 4999347 KTEBCRSXUKVTAQ-QMMMGPOBSA-N 304.400 3.139 0 40 DGAB CCCC(=O)N(Cc1cc2cccc(C)c2[nH]c1=O)C(C)C 5163705 OQNOBUFGTYPBOJ-UHFFFAOYSA-N 300.402 3.374 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C)c1C(=O)CSc1ccccn1 5225925 WXTNPVBINDKPOM-UHFFFAOYSA-N 318.398 3.178 0 40 DGAB CCCCN[C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 5258910 PRMZVWVYVFBOOB-INIZCTEOSA-N 314.385 3.011 0 40 DGAB COc1cccc(C(=O)OCc2cc(C(C)=O)ccc2OC)c1 6486676 YKHVSUISLBKRIB-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)C1C[C@@H]2CCC[C@H](C1)C2=O 7216871 DEDJVRASCPMYCS-LBEMJPCMSA-N 313.397 3.022 0 40 DGAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccccc1F 7404570 BOABFPSPQFAPJO-GFCCVEGCSA-N 305.374 3.356 0 40 DGAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(F)cc1F 7405343 JZSNUAMLQYDNAP-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Cc1nnc2c3ccccc3nc(Nc3cccc(C(=O)O)c3)n12 7500057 FFKBPRKWZMFCIJ-UHFFFAOYSA-N 319.324 3.028 0 40 DGAB CN(C)CCCNCc1ccc(OCc2cccs2)cc1 7523971 GOJQPLNAPMTLMN-UHFFFAOYSA-N 304.459 3.368 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(C(=O)N(C)C)cc2)cc1C 7595357 ALDOODHNBIXMPW-UHFFFAOYSA-N 310.397 3.186 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)C1=COCCO1 7654057 IDAHXWOQLPSEEA-UHFFFAOYSA-N 307.655 3.186 0 40 DGAB Cc1cc2occ(CC(=O)Nc3ccc(C(N)=O)cc3)c2cc1C 8344664 DBLYORRPBUICDW-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cc1 8349300 NOLJTMBZHRDWJL-OAHLLOKOSA-N 320.396 3.409 0 40 DGAB Cc1nnc(CSc2nc(C(C)C)n(-c3ccccc3)n2)o1 9723145 QYXHWMSSMUBFDB-UHFFFAOYSA-N 315.402 3.374 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 9885561 IOPQZLLGSRDSEN-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB C[C@H](NC(=O)c1ccc2ccccc2n1)c1ccc2c(c1)OCO2 10959770 XZOVQGYTQZWXEW-LBPRGKRZSA-N 320.348 3.455 0 40 DGAB COc1cccc(C(=O)NCc2cc(-c3cccs3)on2)c1 12235724 KWIYQRZJGUIQIV-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB CN1CCN(c2ccc(NC(=O)CCC3CCCC3)cc2)CC1 12522849 KYTCXJCXKBVPHA-UHFFFAOYSA-N 315.461 3.347 0 40 DGAB CSc1ccccc1NC(=O)CCNC(=O)c1ccccc1 12764225 NDBREEFMDICMGS-UHFFFAOYSA-N 314.410 3.167 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(C)cc2C)cc1OC 12974105 UBICKDZUPIHJAP-UHFFFAOYSA-N 313.397 3.293 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2C)cc1O 14020796 CPCGMOGOVOEMOV-ZDUSSCGKSA-N 313.353 3.193 0 40 DGAB COC[C@@H](C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 14201235 BMOGCLKWVMHTHN-LLVKDONJSA-N 301.411 3.278 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)COc2ccc(C)cc2)c1C 14215627 SVMDXWQDKKKUPK-UHFFFAOYSA-N 315.369 3.378 0 40 DGAB CC(=O)Nc1ccc(O[C@H](C)C(=O)NC2CCCCCC2)cc1 14242827 WDFNTNAGWXFEJV-CYBMUJFWSA-N 318.417 3.251 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1 14400941 TYWCZKWCZUXZDQ-SFHVURJKSA-N 313.397 3.477 0 40 DGAB Cc1ccc(SCCNS(=O)(=O)c2cccs2)cc1 17331747 JTNRDEMFAZLMNV-UHFFFAOYSA-N 313.469 3.127 0 40 DGAB CC(C)NC(=O)NC(=O)CSc1ccc(C(C)(C)C)cc1 19534417 UJXZTIXMWXVDNW-UHFFFAOYSA-N 308.447 3.310 0 40 DGAB Cc1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1C 21800387 WYLNEYZISMJCEM-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)CCC(=O)N2 25470344 KMBACELNJZAWOM-GFCCVEGCSA-N 306.365 3.163 0 40 DGAB NC(=O)[C@H](Nc1cccc(Br)c1)c1ccccc1 26157833 JJFJPQNWOVCBOS-CYBMUJFWSA-N 305.175 3.088 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(C)cc1 26370163 MQMGJSPOQMSIIN-UHFFFAOYSA-N 310.397 3.316 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2nc(C)c(C)s2)c1 28232482 BSNPZYGRDKWSLL-SNVBAGLBSA-N 306.387 3.175 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccc(F)cc1 28266404 WROOGBYGNRPQOX-KGVSQERTSA-N 324.355 3.370 0 40 DGAB Cc1nc(-c2c[nH]c(C(=O)NC(C3CC3)C3CC3)c2)cs1 30800984 QUUZZQGKYTXVII-UHFFFAOYSA-N 301.415 3.365 0 40 DGAB COc1ccc([C@@H](C)Nc2nc(C)nc3c(C)nn(C)c23)cc1 32650625 GICCZLWTAGEBGP-SNVBAGLBSA-N 311.389 3.162 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)NCCc1ccccn1 32657143 HGLCGVZBEGIDJZ-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB Nc1cc(F)ccc1C(=O)OCc1cc(-c2ccco2)on1 32908015 JUPLOTQBKXGNEE-UHFFFAOYSA-N 302.261 3.013 0 40 DGAB O=c1c2ccccc2ncn1[C@@H]1CCc2ccccc2N=C1O 36366609 WVQAYBGHXJPIAY-MRXNPFEDSA-N 305.337 3.172 0 40 DGAB C[C@@H](CNC(=O)c1cc(F)ccc1F)N(C)c1ccccc1 36397814 RVEVCCZPSZODIH-LBPRGKRZSA-N 304.340 3.220 0 40 DGAB CCCC(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38899657 PXECYGSUBIODFF-NSHDSACASA-N 305.403 3.304 0 40 DGAB CN(C)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 40073410 WXGKTIJLUIAAON-UHFFFAOYSA-N 324.428 3.390 0 40 DGAB O=C(Nc1nccs1)N1CC=C(c2ccc(O)cc2)CC1 42754591 XCPYBZAKCNHNGE-UHFFFAOYSA-N 301.371 3.170 0 40 DGAB CCCc1nnc(NC(=O)N[C@H]2CCOc3ccccc32)s1 43555755 GMQHTYYBLWOTBF-NSHDSACASA-N 318.402 3.136 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3cc(C)ccn3)o2)cc1 44890080 MBXORSUHRJYDBN-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB Cc1ccc(-c2n[nH]c(=S)n2CC(=O)N(C)CC(C)C)cc1 45470672 DPPKCJWEXNMGNK-UHFFFAOYSA-N 318.446 3.031 0 40 DGAB Cc1cc(CN(C)C(=O)c2c(C)nn(CC(C)C)c2Cl)no1 48308522 MYWJRELSMFAXOB-UHFFFAOYSA-N 324.812 3.070 0 40 DGAB Cc1n[nH]c(SCc2cccc(OCC(F)(F)F)c2)n1 48705833 LWQFTZJFSGCCHN-UHFFFAOYSA-N 303.309 3.347 0 40 DGAB COc1ccc(NC(=O)CSCc2c(C)noc2C)cc1F 49222005 DGFQOMFAPIZRMY-UHFFFAOYSA-N 324.377 3.311 0 40 DGAB C[C@@H](C(=O)N(Cc1ccco1)C1CC1)n1cnc2ccccc21 52470782 DQBBDRKYUISWAP-ZDUSSCGKSA-N 309.369 3.382 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N1CCO[C@H]2CCC[C@H]21 53384735 RWGIXUSOOINRLK-NEPJUHHUSA-N 318.398 3.105 0 40 DGAB C[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCC2 53388114 PEASXPBVJCODEO-BFUOFWGJSA-N 323.392 3.193 0 40 DGAB O=C(Nc1cccc(-c2cn3c(n2)CCCC3)c1)[C@@H]1CCCO1 54135755 SOWPTUFOXPPWMT-INIZCTEOSA-N 311.385 3.004 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 54538802 CMBSKGOAHSGABX-HUUCEWRRSA-N 314.433 3.024 0 40 DGAB CC[C@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc2ccccc12 58173496 BMZDSKVAXKBKJQ-STQMWFEESA-N 313.401 3.265 0 40 DGAB CSCc1nnc(SCC(=O)c2cc(F)ccc2F)o1 58356690 DYHJWRGSCKXGLI-UHFFFAOYSA-N 316.354 3.186 0 40 DGAB O=C(Nc1cccc(F)c1)N(C[C@@H]1CCCO1)C[C@@H]1CCCO1 58394023 ZXYBIAVXZUDPEU-HOTGVXAUSA-N 322.380 3.018 0 40 DGAB C[C@@H](c1nnc(-c2cccs2)o1)N1C[C@@H](C)OC(C)(C)C1 65462823 RKNLEHUDVVDHAD-MNOVXSKESA-N 307.419 3.358 0 40 DGAB COCc1c(C(=O)Nc2cc(C)n[nH]2)sc2ccccc12 69462608 UYTYAIRDDHKWHK-UHFFFAOYSA-N 301.371 3.332 0 40 DGAB Cc1csc([C@H](C)NC(=O)Nc2nnc(C(F)F)s2)n1 69657381 OQWCZHHFPXQQGT-YFKPBYRVSA-N 319.362 3.123 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N3CCc4ccccc4C3)n2c1 71468770 DDLFCSIFZNOMHP-UHFFFAOYSA-N 305.381 3.150 0 40 DGAB O=C(CC1=CCCCC1)NCCc1csc(N2CCCC2)n1 71910833 DVDBPYFSMBTGNZ-UHFFFAOYSA-N 319.474 3.293 0 40 DGAB CCCC(=O)NCC(=O)Nc1cccc(Nc2ccccc2)c1 74072174 GWXPFFTVRDACMR-UHFFFAOYSA-N 311.385 3.285 0 40 DGAB Cc1noc(COC(=O)c2sc(C3CCCC3)nc2C)n1 76089848 DGLDOHMBJUQYIS-UHFFFAOYSA-N 307.375 3.158 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1ccc(Oc2ccccc2)o1 79013055 UTQHHYBBBJONND-UHFFFAOYSA-N 311.341 3.078 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1-c1ccccc1)n1cncn1 79039750 CSSJMNLLDPMIEM-AWEZNQCLSA-N 306.369 3.169 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)Cc2ccccc2Cl)c(C)o1 85561412 AFFWODNEOKEMMW-MRXNPFEDSA-N 321.804 3.332 0 40 DGAB N=C(N)SCc1nc(-c2cc(Cl)cc(Cl)c2)no1 89262048 AFRYZSDFFZKMPS-UHFFFAOYSA-N 303.174 3.170 0 40 DGAB CCc1ccc(CS[C@@H]2CCN(C3CCOCC3)C2=O)cc1 89284877 LZLYSSLSEDLGIK-QGZVFWFLSA-N 319.470 3.262 0 40 DGAB O=c1cc(CSCc2cccc(OC(F)F)c2)occ1O 89780674 POMWQHVMDQENEE-UHFFFAOYSA-N 314.309 3.380 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCO2)c1)c1sccc1C1CC1 89885300 MCNGXDRHAGEKDW-CYBMUJFWSA-N 317.414 3.253 0 40 DGAB O=C(Nc1cccs1)Nc1ccccc1-c1ccc(=O)[nH]n1 90614095 URXQLRRXAAAFKO-UHFFFAOYSA-N 312.354 3.142 0 40 DGAB Fc1ccc(N2CCN(c3ncc(Cl)cc3F)CC2)cc1 94052879 GBQRLFZJCJKTNC-UHFFFAOYSA-N 309.747 3.340 0 40 DGAB Fc1ccc2c(c1)[C@@H](NC1CCN(c3ccccn3)CC1)CC2 95420311 DKQVAJMIVFDCPA-SFHVURJKSA-N 311.404 3.467 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)c2cc3ccccc3o2)CC1 95420834 BHRCRQQFVIHIRD-LBPRGKRZSA-N 302.374 3.314 0 40 DGAB Cc1cc(C)nc(NCCCC(=O)Nc2ccc3cc[nH]c3c2)n1 95478293 KYYYXJJPKFTMQV-UHFFFAOYSA-N 323.400 3.406 0 40 DGAB C[C@H]1CN(CCCNCc2csc3ccccc23)C[C@@H](C)O1 95947337 JBEVQWYLGBCOOJ-GASCZTMLSA-N 318.486 3.490 0 40 DGAB O=C(NC1(C(=O)O)CCCCC1)c1cc2cc(F)ccc2o1 95969539 IUFLPDYHXHVMEP-UHFFFAOYSA-N 305.305 3.089 0 40 DGAB COC(=O)c1cncc(C(=O)N(C)c2cccc(C(C)C)c2)c1 95979923 CBVIFSLZXKREIV-UHFFFAOYSA-N 312.369 3.268 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)C[C@H](O)C(F)(F)F 95984159 ZOMMVXOPYHIVGK-JTQLQIEISA-N 301.230 3.060 0 40 DGAB CO[C@]1(C)C[C@H](NC2CCN(CCC(F)(F)F)CC2)C1(C)C 96003177 RNYRMBAMRMJLRG-DZGCQCFKSA-N 322.415 3.196 0 40 DGAB CCOC[C@H]1COCCC12CCN(Cc1cccs1)CC2 96106385 XTXDRHDQIXZYLZ-HNNXBMFYSA-N 309.475 3.403 0 40 DGAB CC(C)NC(=O)c1nc2c(s1)CCCN2c1ccccc1 96146846 AMHMLQYXFADTEI-UHFFFAOYSA-N 301.415 3.366 0 40 DGAB Cc1ccc(N2CCC[C@]3(CCN(CC4CCCC4)C3)C2)nn1 96217108 GJQOQVVROIWNSA-LJQANCHMSA-N 314.477 3.268 0 40 DGAB CN1C(=O)[C@H](C(=O)Nc2cccc(Cl)c2)c2ccccc21 96316561 VCHDNJBAORWSJK-AWEZNQCLSA-N 300.745 3.039 0 40 DGAB CC(C)(O)CSCCNC(=O)c1cc2ccccc2s1 96412647 SZCSBNIHJNHAEE-UHFFFAOYSA-N 309.456 3.135 0 40 DGAB O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)c1ccncc1F 96432718 UMSUSYWVLMNWNG-OAHLLOKOSA-N 306.287 3.380 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)N1C[C@@H]2CC=CC[C@H]2C1 96433802 OVADCFMNSKCNHT-KBPBESRZSA-N 314.385 3.278 0 40 DGAB Cn1ccc(NC(=O)N2CC[C@H](CSc3ccccc3)C2)n1 96434423 RGQDBAXWIGRAMR-ZDUSSCGKSA-N 316.430 3.066 0 40 DGAB COc1ccc(C2CCN([C@H](C)c3nnc(C)o3)CC2)cc1 96444347 BXKCEKGFQPNUOA-GFCCVEGCSA-N 301.390 3.327 0 40 DGAB CCS[C@H]1CCC[C@@H]1NC(=O)c1ccc(CN(C)C)cc1 96450627 VULODGWEZDNSRM-HOTGVXAUSA-N 306.475 3.152 0 40 DGAB CCn1cc(CN[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 96456801 FKGREKHBHRSAQX-APWZRJJASA-N 312.461 3.046 0 40 DGAB CCC[C@H]1SCCN1C(=O)c1cc(OCC(F)F)ccn1 96496564 SQLRFDTVALKAQB-CYBMUJFWSA-N 316.373 3.041 0 40 DGAB C1CCC([C@H](NC2CCN(C[C@H]3CCOC3)CC2)C2CC2)CC1 97238628 YIVQIFUZJORSTP-UZLBHIALSA-N 320.521 3.436 0 40 DGAB O=c1[nH]c(NCCc2cccc3cccnc23)nc2ccccc12 97994977 SUWFTDIAOFXDHJ-UHFFFAOYSA-N 316.364 3.126 0 40 DGAB Cn1c(=O)c(C2=NO[C@H](c3ccccc3)C2)c(O)c2ccccc21 100362365 GOVXCZKIXZOFLV-INIZCTEOSA-N 320.348 3.110 0 40 DGAB COc1ccc(N2C(=O)C[C@@H]([C@@H](C)c3ccccc3)C2=O)cc1 100548052 AXRGWJWMPSXWHE-GUYCJALGSA-N 309.365 3.378 0 40 DGAB C[C@@H]1C[C@H](NCC(C)(C)S(C)(=O)=O)C[C@H](c2ccccc2)C1 108358093 SMLZMTDMNPUKHY-UAGQMJEPSA-N 323.502 3.372 0 40 DGAB CCC(=O)c1cccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c1 119609482 AHCJOFPWEQMOIP-NSHDSACASA-N 314.389 3.064 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](CCC(=O)O)C1 195552076 AVRKSGPITMRFJH-XIRDDKMYSA-N 315.413 3.202 0 40 DGAB Cc1cc(NC(=O)Nc2ccc([S@@](C)=O)cc2)ccc1O 195575678 AIJIBJICIJYTCH-OAQYLSRUSA-N 304.371 3.082 0 40 DGAB CCCO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809479 BOWLOZQZYCRSMU-ZDUSSCGKSA-N 302.248 3.232 0 40 DGAB CCc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2)cc1 224598625 BEIOKTVBFHIANY-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB COc1ccc(NC(=S)NCCCc2ccc(C)cc2)cn1 225390189 WGMFUYMFRBCDTR-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB COc1ccc(NC(=O)[C@](C)(OC)C2CC2)cc1C(F)(F)F 225811535 FTHDOMMHOLIQCW-CQSZACIVSA-N 317.307 3.468 0 40 DGAB COc1ccc(C(=O)Nc2ccc([C@H](C)O)cc2)cc1OC 226273405 UQHZUVLYACEVQP-NSHDSACASA-N 301.342 3.009 0 40 DGAB Cc1ccc(O[C@H]2CCN(C(=O)CCc3ccccc3)C2)nc1 238970197 ZIIYTFDBYBCUTB-KRWDZBQOSA-N 310.397 3.003 0 40 DGAB O=C(Nc1cccs1)N[C@H]1CC[C@H](Oc2cnccn2)CC1 244909802 AWINGWYUIQKMAF-HAQNSBGRSA-N 318.402 3.050 0 40 DGAB CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 248147270 AAFRUTSENCMPBY-LUKYLMHMSA-N 321.461 3.049 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)C1=Cc2ccccc2OC1 257199811 AAXFJQHVBKNDLI-MRXNPFEDSA-N 323.396 3.248 0 40 DGAB CCc1nccn1Cc1ncc(-c2ccccc2C(=O)O)s1 257210286 BTYYNKQCFXFYTL-UHFFFAOYSA-N 313.382 3.316 0 40 DGAB COCC[C@@H]1CN(Cc2ccc(F)cc2)Cc2cccn2C1 585094658 RDCGNSUURVQFRF-MRXNPFEDSA-N 302.393 3.296 0 40 DGAB CC1(C)c2ccccc2N2CCC(=O)N[C@@]21/C=C/c1ccncc1 132794 KLXNXZNHAAOSGH-OEMHODTASA-N 319.408 3.109 0 40 DGAB CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(CC)c2cc1Cl 253067 CUCGRXMACBDDMW-SECBINFHSA-N 324.760 3.339 0 40 DGAB COc1ccc(OC)c(-n2c(C)nc3cc(C(=O)O)ccc32)c1 266851 IZSCIPWVUBIODT-UHFFFAOYSA-N 312.325 3.049 0 40 DGAB O=C(COc1ccc(Cl)cc1)OCCN1CCCCCC1 1608284 DNEAGEKNLYKVKE-UHFFFAOYSA-N 311.809 3.138 0 40 DGAB CSc1nc(SC)c2cn(Cc3ccccc3)nc2n1 1613675 XNSQRFJKBYIARJ-UHFFFAOYSA-N 302.428 3.318 0 40 DGAB CCN(CC)CCn1nc2c3c(cccc3c1=O)-c1ccccc1-2 2459149 XNRPWZMOVUAHLY-UHFFFAOYSA-N 319.408 3.386 0 40 DGAB COc1cc(OC)c2c(C)c(-c3ccc(O)cc3)c(=O)oc2c1 2573914 XCAIUEVJJRUZJU-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)s1 3241220 HUSKHAOTFPTDAP-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1 3317363 SRVRXETYBLYIOJ-ZBFHGGJFSA-N 303.402 3.155 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1C 3621813 KVGVTXFPWZTBCH-UHFFFAOYSA-N 323.392 3.440 0 40 DGAB Cc1ccc(CNC(=O)C(=O)c2c(C)[nH]c3ccccc23)cc1 4163557 QWMLDDYCENIBPU-UHFFFAOYSA-N 306.365 3.284 0 40 DGAB Cc1cc2oc(Br)c(CC(N)=O)c2cc1Cl 5323487 BDVFOYQUYQYRDC-UHFFFAOYSA-N 302.555 3.185 0 40 DGAB C[C@@H](NC(=O)CSc1nncs1)c1ccccc1Cl 7195344 AACOJYBTMJPJKH-MRVPVSSYSA-N 313.835 3.161 0 40 DGAB O=C(COc1ccccc1F)NCCOc1ccc(Cl)cc1 7270057 VLGDTNZVMCPZQH-UHFFFAOYSA-N 323.751 3.053 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2cccs2)c1C 8704321 HSPOLRQQAKVHPY-UHFFFAOYSA-N 320.414 3.142 0 40 DGAB CC[C@@H](OC(=O)c1ccc(C)cc1C)C(=O)Nc1cc(C)on1 9076983 XITYRGZDRWCYFR-CQSZACIVSA-N 316.357 3.174 0 40 DGAB CCCOc1cccc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 9780228 ATZGIGYGIUMTOM-CABCVRRESA-N 305.374 3.305 0 40 DGAB COc1cccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c1OC 10273309 UUTUIGGYGVSZCP-UHFFFAOYSA-N 312.329 3.021 0 40 DGAB Cc1ccc(NC(=O)CN2CCc3sccc3C2)cc1F 10341195 FDXVPKZBCOYBMR-UHFFFAOYSA-N 304.390 3.192 0 40 DGAB O=C1CCC[C@H]1Sc1nnc(Cc2cccs2)n1C1CC1 12748565 PUFQRYQLZLJKJE-CYBMUJFWSA-N 319.455 3.479 0 40 DGAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccc(F)cc1 12825160 PLAJFZSNVYUNAU-CQSZACIVSA-N 323.371 3.431 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CCn1nc(C)cc1C 12825232 RIUWIROWALPYNX-UHFFFAOYSA-N 321.808 3.499 0 40 DGAB CC(C)c1ccc([C@@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12903981 ZSDATDNQPIQCLF-KRWDZBQOSA-N 310.405 3.452 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2occc21)c1ccc(Cl)cc1 12943999 PQNSWKJLTBNZLV-CYBMUJFWSA-N 311.790 3.289 0 40 DGAB CCOc1ccccc1-c1nc(CC(=O)NC(C)C)cs1 14048192 YSCIWSJRPLGQIR-UHFFFAOYSA-N 304.415 3.276 0 40 DGAB CCOCCCNC(=S)Nc1cccc2c(O)cccc12 16187743 ROKFBWLCXIZCDN-UHFFFAOYSA-N 304.415 3.258 0 40 DGAB O[C@@H](CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12 19939947 PZKBVQZFRLKVQZ-FQEVSTJZSA-N 321.424 3.024 0 40 DGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NC(C)(C)C 23013332 BYJUECOBLZAWEX-UHFFFAOYSA-N 306.387 3.430 0 40 DGAB COc1ccccc1CC(=O)NCCc1cccc(Cl)c1 23228671 QBXSMXVROQRTDA-UHFFFAOYSA-N 303.789 3.250 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(-c3nnco3)c2)c1C 24696329 BDCUOYVLZTUELM-UHFFFAOYSA-N 324.340 3.136 0 40 DGAB C[C@@H](NC(=O)NCc1ccc(N2CCCC2)nc1)c1ccccc1 29328068 WGUNKTGGJQIWAW-OAHLLOKOSA-N 324.428 3.242 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1ccc(F)cc1)N2 30540485 IUSYOYCRORXUAW-MRXNPFEDSA-N 316.332 3.039 0 40 DGAB O=C1CCc2cc(NC(=O)c3cc(F)cc(F)c3)ccc2N1 31988757 BGWVCLRUOHRTBE-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB O=C(CN(Cc1cccs1)C1CC1)Nc1cccc(F)c1 32777913 DJBXDRUVZMVUTP-UHFFFAOYSA-N 304.390 3.490 0 40 DGAB COC(=O)[C@H](Cc1ccccc1)NCc1ccc(Cl)cc1 34860013 FPQSCPSMHRZFOM-INIZCTEOSA-N 303.789 3.214 0 40 DGAB Cc1nc(-c2ccccc2)ncc1C(=O)NCc1ccccc1 35503409 SYIQQSVKOIVEHX-UHFFFAOYSA-N 303.365 3.382 0 40 DGAB Cc1ccccc1OC[C@H](O)CN(C)[C@@H]1CCc2ccccc21 40049833 JSHQYXIKYNOEOR-IEBWSBKVSA-N 311.425 3.354 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)[C@H]1CC=CCC1 40089465 UDJKTLBRSBDHJP-AWEZNQCLSA-N 300.402 3.376 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)NC1CCCCCC1 40526800 NGTQKDDVGXICRZ-UHFFFAOYSA-N 324.446 3.243 0 40 DGAB C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)Cc1ccccc1 41345376 CGJJTJOXZPKBNW-AWEZNQCLSA-N 321.417 3.124 0 40 DGAB CON(C)C(=O)COc1cc2sc(C)nc2c2sccc12 43112431 BWWMODRANGCZHP-UHFFFAOYSA-N 322.411 3.218 0 40 DGAB O=C(C[C@H]1CCCO1)N1CCC(c2nc3ccccc3o2)CC1 47049004 VSAFVBQEYZRGIU-CQSZACIVSA-N 314.385 3.103 0 40 DGAB COc1cc(NC(=O)NCc2ccoc2)c(OC)cc1Cl 47743309 DHDWKBCMQGWZES-UHFFFAOYSA-N 310.737 3.272 0 40 DGAB Cc1noc(C)c1C(=O)NCc1ccc(COC(C)C)cc1 49133590 BBWXMRYJJHHPRU-UHFFFAOYSA-N 302.374 3.146 0 40 DGAB COc1ccccc1SCc1cc(=O)n2ccsc2n1 49372789 LLTJMDGQDNUWMK-UHFFFAOYSA-N 304.396 3.057 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c(C)s1 49419619 FZCQRNSLMHCHJV-UHFFFAOYSA-N 313.448 3.117 0 40 DGAB CCOCCO[C@@H](C)C(=O)Nc1ccc2c(ccn2CC)c1 51385629 SPTPJVAVTGUBHV-ZDUSSCGKSA-N 304.390 3.041 0 40 DGAB Cc1cc(NC2CCN(C(=O)C3CCCCC3)CC2)nc(C)n1 52072944 RVSYXSXEGUCWAG-UHFFFAOYSA-N 316.449 3.077 0 40 DGAB COc1ccccc1S(=O)(=O)Nc1cccc2cccnc12 52536998 ZXLVEUPWPBFXJP-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB O=C(/C=C/c1c(Cl)nc2ccccn12)NC(C1CC1)C1CC1 55454629 JPILSVQSGOFAIB-CMDGGOBGSA-N 315.804 3.306 0 40 DGAB CCCOC(=O)c1nnc2sc(-c3cccc(Cl)c3)nn12 57332671 OWHDNRNYBWJZMP-UHFFFAOYSA-N 322.777 3.073 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCN(C3CC3)C2)sc2ccccc12 58148533 KCDZZPLLSVVXIQ-GFCCVEGCSA-N 300.427 3.176 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC(Cc3ccccc3)CC2)cc1 58267279 HVJZYZYCBBMLCX-UHFFFAOYSA-N 323.392 3.480 0 40 DGAB O=C(NC1CC1)[C@H](N[C@@H]1CCc2c(F)cccc21)c1ccccc1 58282235 FHVVFNRERIAIHH-RTBURBONSA-N 324.399 3.423 0 40 DGAB C[C@@H](NC(=S)NC1CCCCC1)c1ccc2c(c1)CCO2 60827440 XUPYQBVBLWTDQV-GFCCVEGCSA-N 304.459 3.479 0 40 DGAB CCN(CC)[C@@](C)(C(=O)O)c1ccc(F)c(Br)c1 61689644 WJZCQAQYIUJANC-CYBMUJFWSA-N 318.186 3.230 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)c3ccsc3)cn2)C[C@H](C)O1 65535444 UEUUYNVRFOOQGO-RYUDHWBXSA-N 317.414 3.009 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)c1 68786607 OIMYMQJVXJSTKM-JSGCOSHPSA-N 315.369 3.435 0 40 DGAB CCCn1nccc1NC(=O)Cc1csc(C(C)(C)C)n1 69534179 VUZFSCIHPCIVJI-UHFFFAOYSA-N 306.435 3.228 0 40 DGAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csnn1 69658427 QPYUCMVNORAPPQ-ZFWWWQNUSA-N 301.415 3.337 0 40 DGAB COC[C@@H](C)NC(=O)Nc1cc(Cl)c(OC)c(Cl)c1 69899094 LQFISXQJZMPFJF-SSDOTTSWSA-N 307.177 3.158 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1C1CCCC1 71820106 ZSNFRANGLDGZOT-MRXNPFEDSA-N 310.401 3.062 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1cccc(Cl)c1 71858991 MSUQCIOHXFVHRB-BIBXISHDSA-N 313.850 3.036 0 40 DGAB C[C@H](NC(=O)NCCO[C@H]1CCCC[C@H]1C)c1nccs1 71879737 NBKWLFDPRHZBPP-AGIUHOORSA-N 311.451 3.099 0 40 DGAB Cc1ccccc1[C@@H](C)CC(=O)NC[C@H]1CCN(C(C)C)C1 72286491 XMQMHSQUSCIWTA-DLBZAZTESA-N 302.462 3.335 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2noc(C(C)C)n2)c(C)o1 72299375 ZSTAWQFWAUZPLJ-CYBMUJFWSA-N 303.362 3.380 0 40 DGAB Cn1ccnc1CN1CC[C@H](Cc2cccc3cccnc23)C1 72368081 OWTKMAPTMSVROF-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)OCc1ccccc1 74559716 LWQCVVIICGWRPR-OAHLLOKOSA-N 305.761 3.300 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc(-c3ccccc3)[nH]c2=O)o1 75117453 ICQFXSXBSSQDPN-UHFFFAOYSA-N 322.364 3.216 0 40 DGAB COCCOc1ccc(N[C@@H](C)c2nnc(C)o2)cc1Cl 79029739 MUBBJLOWWBECIG-VIFPVBQESA-N 311.769 3.230 0 40 DGAB Cc1ccc(C(=O)N2C[C@@H](n3cccn3)Cc3ccccc32)cn1 81259057 TUYUQWJOXQADAX-KRWDZBQOSA-N 318.380 3.031 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN1CCCC2(C1)OCCO2 84056844 UACXEAGMVOQWAR-UHFFFAOYSA-N 320.414 3.050 0 40 DGAB CCC(=O)c1cccc(S(=O)(=O)Nc2ncc(CC)s2)c1 89289680 QYDXFLLRHJAZBT-UHFFFAOYSA-N 324.427 3.099 0 40 DGAB CCc1nc2c(s1)[C@H](N[C@@H](C)Cc1cc(C)[nH]n1)CCC2 90534090 XHLYUMYGRUSXFL-GXFFZTMASA-N 304.463 3.335 0 40 DGAB C[C@@H](c1ccccc1)n1ccc(NC(=O)CC[C@H]2CCCO2)n1 95414309 XHFBBEXYGQHEBV-GOEBONIOSA-N 313.401 3.390 0 40 DGAB COCCC1(C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2F)CCC1 95415285 KIIXJJVHTTWXMC-GXTWGEPZSA-N 309.356 3.144 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@H]2CCCSc3ccccc32)C1 95423779 BGQACXYVQHGKIC-ZBFHGGJFSA-N 318.486 3.460 0 40 DGAB O=C(CC1CCOCC1)Nc1cc(Cl)c(O)c(Cl)c1 95453039 LWZFGFUDRCBFTI-UHFFFAOYSA-N 304.173 3.454 0 40 DGAB c1cnc(N2CCC[C@@]3(CCN(Cc4cccs4)C3)C2)nc1 96047144 GYKZWRDUHCVUNX-KRWDZBQOSA-N 314.458 3.031 0 40 DGAB Cc1occc1C(=O)N1C[C@H]2CCC[C@@]2(COCC2CC2)C1 96109183 YCJPCRJGDLESAV-QAPCUYQASA-N 303.402 3.257 0 40 DGAB O=C(Nc1cnn([C@@H]2CCOC2)c1)c1cc2ccccc2s1 96123194 UVQWUTSBFPNBBC-CYBMUJFWSA-N 313.382 3.312 0 40 DGAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccc(COC)o2)C12CCCC2 96419385 KLUMXOIETLSVJG-JKSUJKDBSA-N 321.417 3.236 0 40 DGAB CCOCCN(C)C1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 96421161 OCGSMSPNVDQFFG-DFNIBXOVSA-N 302.462 3.150 0 40 DGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@H]1CCOC1 96436216 QUDYKWLVEDFTBX-HUUCEWRRSA-N 304.434 3.218 0 40 DGAB COc1cccc(NC(=O)C[C@@H](C)NCC(C)(C)SC)c1 96478860 MEKCNVYXNYSVPI-GFCCVEGCSA-N 310.463 3.144 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccc2C[S@](C)=O)CC[C@H]1C 97140985 JGYATWWMZLRQQN-SQHYZVFZSA-N 308.447 3.075 0 40 DGAB CN(Cc1nc2ccccc2[nH]c1=O)[C@H]1CCCc2ccccc21 97201169 DAHZQWYOGVLHBX-IBGZPJMESA-N 319.408 3.433 0 40 DGAB CN1C(=O)S/C(=C/Nc2ccc(Br)cc2)C1=O 100264449 NADZSSOKFQALQP-RMKNXTFCSA-N 313.176 3.028 0 40 DGAB CC(C)c1cc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)on1 105921721 LVHSRVCYXIHMCC-AVGNSLFASA-N 320.389 3.106 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)[C@H]1C[C@H]2CC[C@H]1C2 105956009 NWGZDSHWIJNRHH-HUBLWGQQSA-N 300.358 3.018 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)OCc1nc(-c2cccnc2)no1 106555422 KEUMLIQUFNKWBR-SGMGOOAPSA-N 313.357 3.001 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2cccc(C)c2C)c1 122763382 RDAIKHSWKIAXNG-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB COc1ccc2c(c1)[C@H](NCc1cnn(C)c1C)CCCS2 188278891 WVYOSVPNFQSKPT-MRXNPFEDSA-N 317.458 3.454 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@@H](C)[C@H]1CO 190013008 OCEPCEQMVVIAGM-CXAGYDPISA-N 320.433 3.155 0 40 DGAB COc1ccc(CC[S@](=O)Cc2ccc(C)nc2C)cc1 195579453 HQJUWBSMFQLYNY-NRFANRHFSA-N 303.427 3.198 0 40 DGAB CCc1ccc(OCC(=O)n2cc(CO)c3ccccc32)cc1 216721249 NGGNFUORFJCIOW-UHFFFAOYSA-N 309.365 3.415 0 40 DGAB S=C1N[C@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1C1CCCC1 225006067 CEYGYERERDSESJ-HZPDHXFCSA-N 312.442 3.325 0 40 DGAB CCN(c1cc(C)ccc1OC)S(=O)(=O)c1cccs1 225130491 PYEHLDVVGDTJSK-UHFFFAOYSA-N 311.428 3.280 0 40 DGAB COC(=O)c1cc(NC(=O)C(F)(F)F)ccc1OCC(C)C 225782147 OKGGXYBXHZDYAA-UHFFFAOYSA-N 319.279 3.009 0 40 DGAB CCO[C@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@H](C)C1 225900630 IAECCHHDWWBDOR-YVEFUNNKSA-N 306.406 3.323 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)n1 257216635 CVLTZIJRYCZELY-LBPRGKRZSA-N 303.793 3.391 0 40 DGAB CC(C)n1nccc1C(=O)N1CCC(C)(c2nccs2)CC1 257236348 HBTIJFYWBWDLTI-UHFFFAOYSA-N 318.446 3.114 0 40 DGAB CCNC(=O)c1nc(-c2ccn(CC(C)C)c2)n2ccccc12 306138303 RUQYYBUDSDHMGS-UHFFFAOYSA-N 310.401 3.209 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O 583619500 TVROORONARXZFH-KSZLIROESA-N 305.466 3.370 0 40 DGAB COC(=O)[C@](C)(NCc1ccccc1F)c1ccc(OC)cc1 584908310 XKYCPJZPQJOPDX-GOSISDBHSA-N 317.360 3.012 0 40 DGAB Cc1ncncc1C(=O)N1CCCCc2ccc(Cl)cc21 585139884 UBUFHLPQOSNXCH-UHFFFAOYSA-N 301.777 3.422 0 40 DGAB CC(C)c1cnc(NC(=O)NCc2cccc(C(=O)O)c2)s1 669504984 LYCJZBLQHWPGLG-UHFFFAOYSA-N 319.386 3.286 0 40 DGAB Cc1ccc(C)c(CN2CCC(Oc3ncc(F)cn3)CC2)c1 1203751762 FXJKJVUVFOSDEN-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB Clc1cccnc1OC[C@@H]1CCCN(Cc2cncs2)C1 2298049127 XZWWGLGOZXTMAI-GFCCVEGCSA-N 323.849 3.483 0 40 DGAB COC(=O)[C@H](C)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1 2362803792 LQAAQTHQAMERSF-GFCCVEGCSA-N 319.401 3.297 0 40 DGAB COc1cccc(C(=O)NC(=S)Nc2ccccc2C)c1 65341 OFIKWKZCKWTTPU-UHFFFAOYSA-N 300.383 3.130 0 40 DGAB C[C@@H](Nc1ccc(F)c(F)c1)C(=O)NCCc1cccs1 70817845 ZBCKJCFBZIDKIN-SNVBAGLBSA-N 310.369 3.186 0 40 DGAB CCn1nnc2cc(C(=O)OC/C=C/c3ccccc3)ccc21 12214602 RLGWKFBWGZNDKF-RMKNXTFCSA-N 307.353 3.321 0 40 DGAB CCCCC(=O)N1SC(NC(=O)OC)=Nc2ccccc21 1580376 XDPVFMMAJWYACP-UHFFFAOYSA-N 307.375 3.215 0 40 DGAB COc1ccc([C@H](C)c2cc3c(cc2O[C@@H](C)O)OCO3)cc1 1612182 WBLLBEGTYCAWSR-RYUDHWBXSA-N 316.353 3.293 0 40 DGAB CC(C)C(=O)O[C@H]1c2cc(OCCN(C)C)ccc2C[C@H]1C 1668198 MZHSSHXKQOTGOQ-CXAGYDPISA-N 305.418 3.060 0 40 DGAB CCCC[C@H](Sc1nc(-c2ccccc2)cc(=O)[nH]1)C(=O)O 33689774 QPWWUYHVJUXKJM-ZDUSSCGKSA-N 318.398 3.172 0 40 DGAB CCCCNc1ccc(C(=O)OCCN(CC)CC)c(O)c1 2573742 DYMQZBNGFSKNPG-UHFFFAOYSA-N 308.422 3.103 0 40 DGAB COc1cc(C(=O)Nc2ccc(O)cc2)cc(Cl)c1OC 6170012 VECDOYVWUKTLBV-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1cccc(O)c1 6747811 RXOICCUKPJBOAZ-KRWDZBQOSA-N 323.327 3.096 0 40 DGAB CCOc1ccc(C[C@H]2SC(=O)N(CC)C2=O)cc1OCC 6952912 KLSJWZQUOCJRCX-CQSZACIVSA-N 323.414 3.110 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NCc2ccccc2)cc1 7790246 OWVSWWUKQQNZIQ-ZDUSSCGKSA-N 301.411 3.492 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CCCN(C(=O)C2CC2)C1 42469740 ZFGHIGMBYNQWQL-ZDUSSCGKSA-N 320.820 3.236 0 40 DGAB CCN(CC)C(=O)CSc1nc(Cc2ccccc2)c(C)[nH]1 8404642 ZENXDLJWTPEJAB-UHFFFAOYSA-N 317.458 3.269 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@H](c2ccsc2)N(C)C)o1 25811104 DNOWLTOYFXKNIS-LQYUOIDQSA-N 304.415 3.082 0 40 DGAB Cc1cc(N(C)C)ccc1NC(=O)c1ccc(NC2CC2)nc1 57214114 GZFKSQQAMHBHIS-UHFFFAOYSA-N 310.401 3.283 0 40 DGAB CCn1nc(C)c2nc(C)nc(N(C)Cc3cccs3)c21 57355259 KBPIUIMWHFHKFP-UHFFFAOYSA-N 301.419 3.161 0 40 DGAB CN(C)CCCNc1nc2ccc(Br)cc2s1 26423996 HRZINLDAYDDCAO-UHFFFAOYSA-N 314.252 3.422 0 40 DGAB C[C@H](O)C[C@@H]1CCCN1C(=O)[C@H](C)SCc1ccccc1 108129225 AXYMEODOKYMEMP-DZKIICNBSA-N 307.459 3.070 0 40 DGAB O=C([C@H](Sc1nncs1)c1ccccc1)N1CCCCC1 57851364 FKNWVDRHXJCWMF-CYBMUJFWSA-N 319.455 3.384 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c1 3277871 NAWFAHJZVQYELZ-CQSZACIVSA-N 322.408 3.275 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NC[C@H](O)c1ccco1 95419739 YYMOHOUTQOEVLE-YPMHNXCESA-N 302.399 3.144 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)C(C)(C)c2ccccc2)C1 58210812 OFJAUXQPOSAVRM-MRXNPFEDSA-N 302.462 3.201 0 40 DGAB Cc1ccc([C@H](C)NC(=O)NC[C@@H](c2cccs2)N(C)C)o1 44949449 OMJQDAMLKOCLMK-STQMWFEESA-N 321.446 3.313 0 40 DGAB C[C@@H]1COCCN1c1ccc(NC(=O)[C@@H]2C[C@H]3C=C[C@H]2C3)cc1 102742744 JKUQSUGEBRZENR-LDDOYCOJSA-N 312.413 3.062 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1ccn(Cc2ccccn2)n1 58326926 OBVYXQOPDRPQQJ-SNAWJCMRSA-N 310.382 3.040 0 40 DGAB O=C(NO[C@@H]1CCCCO1)c1ccc2[nH]c3c(c2c1)CCCC3 58419510 OEPLGFQKHRLVRM-QGZVFWFLSA-N 314.385 3.235 0 40 DGAB CC(C)(C)NC(=O)CSc1ncc(-c2ccc(F)cc2)o1 10714856 HIGTVCALJTZEEA-UHFFFAOYSA-N 308.378 3.488 0 40 DGAB C[C@@H](C(=O)N1CC[C@@H](C)Sc2ccccc21)n1cccn1 28504280 ZNSMWLBYCFXJNX-OLZOCXBDSA-N 301.415 3.362 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)C(C)C)C1 46146517 PNEXTRUYVYBKOS-CVEARBPZSA-N 316.445 3.067 0 40 DGAB CCOc1ccccc1NC(=O)COc1ncnc2ccccc12 3319498 IIVNEPSSCTVGGP-UHFFFAOYSA-N 323.352 3.046 0 40 DGAB FC(F)(F)c1nnc2ccc(N[C@H]3CCc4ccccc43)nn12 48333109 AIUMOEPEGHEDAV-NSHDSACASA-N 319.290 3.243 0 40 DGAB C[C@@H](SC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 12883154 IRNYKDWDLFGDHB-WBMJQRKESA-N 305.443 3.415 0 40 DGAB CCCOc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1 3438970 AQIZSTQRYSMBNZ-UHFFFAOYSA-N 318.461 3.470 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NCCc2ccccc2)cc1C 28577830 RRIPCTIGCVPMKX-UHFFFAOYSA-N 303.427 3.133 0 40 DGAB O=C1CCOc2c(Br)cc(Br)cc21 39351860 NPVIVRRXGMSKTH-UHFFFAOYSA-N 305.953 3.177 0 40 DGAB Cn1ccnc1-c1cccc(NC(=O)COC2CCCCC2)c1 65152702 GZXSNTSKPKZJID-UHFFFAOYSA-N 313.401 3.375 0 40 DGAB Cn1nccc1/C=C(/CCC(=O)O)c1nc2ccccc2s1 71800737 RNIXQTKZESOMHP-KHPPLWFESA-N 313.382 3.435 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)NCc2cc[nH]n2)C2CC2)o1 65554549 WPRAQMGZZWQGCF-IAQYHMDHSA-N 314.389 3.000 0 40 DGAB O=C(CN1CCOc2ccccc21)N(C1=CCCCC1)C1CC1 65611521 GYJQBMDUEATTTA-UHFFFAOYSA-N 312.413 3.334 0 40 DGAB O=C(O)c1ccc2c(c1)ncn2-c1ccc(Br)cc1 4638834 VYDWHKVZOFRHTQ-UHFFFAOYSA-N 317.142 3.486 0 40 DGAB Cc1ccc(OCCNC(=O)CCOc2cccc(C)c2)cc1 6650777 KBNUUXWLLNQTHP-UHFFFAOYSA-N 313.397 3.268 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccccn1 27921335 QXOZHSRCZODTPH-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB O=C(NCc1ccsc1)N1CCO[C@@H](c2cccc(F)c2)C1 67059870 HCUKGIIDNRIMQW-OAHLLOKOSA-N 320.389 3.170 0 40 DGAB O=C(NCCc1csc(-c2ccccn2)n1)c1cccs1 19942247 DEJIQBNJADQGPL-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1ccccc1)[C@H]1CCCN1Cc1ccccc1 67859172 DWBZEGVESZUINF-VAMGGRTRSA-N 320.436 3.323 0 40 DGAB Cc1nnc(COC(=O)C(c2ccccc2)c2ccccc2)o1 7481624 LZNUPZFEIKJYOJ-UHFFFAOYSA-N 308.337 3.253 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2F)cs1 9315118 YWCCFRQGIWALMA-UHFFFAOYSA-N 307.350 3.256 0 40 DGAB CCOC(=O)c1cc(Cl)ccc1NC(=O)c1cccnc1 15922196 RDMMHBSGNVDBBR-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB O=c1cc(CN2CC=C(c3ccccc3)CC2)nc2sccn12 7650885 XPIDJHZFBUCERO-UHFFFAOYSA-N 323.421 3.045 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1 68727144 BPJBQZKMQWULIG-UHFFFAOYSA-N 306.369 3.297 0 40 DGAB O=C(Cc1cccc(Cl)c1)Nc1ccc2c(c1)CNCC2 69052589 OYGHHDFBRZKSHT-UHFFFAOYSA-N 300.789 3.167 0 40 DGAB COc1ccc(C(=O)Nc2ccc(OC)c(OC)c2)cc1F 22874572 OPPUXESRKNHYLT-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB O=C(CCc1ccc(-c2ccccc2)o1)NC1=NCCS1 8341332 OUYUEBHYFDCVTN-UHFFFAOYSA-N 300.383 3.098 0 40 DGAB CSCc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1 69493097 ZVWRWFCTRUBIDC-IRXDYDNUSA-N 318.486 3.248 0 40 DGAB COc1cc(Cl)ccc1C(=O)N(C)CCc1ccncc1 69415403 ZXSQFUPTLDAXJR-UHFFFAOYSA-N 304.777 3.058 0 40 DGAB O=c1c2ccc(F)cc2ncn1CCOc1ccccc1Cl 8485676 PSQYLFRPLFRKPX-UHFFFAOYSA-N 318.735 3.268 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCO[C@@H]2CCCC[C@H]21 69512968 YBISTGLAQSWLRU-HUUCEWRRSA-N 319.449 3.039 0 40 DGAB Cc1nc(-c2ccccc2)sc1CN1CCc2cncnc2C1 69776950 NJQMNCZQBLIXKO-UHFFFAOYSA-N 322.437 3.467 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1cc(C(C)(C)C)no1 9645028 UWGRSODOGONASN-UHFFFAOYSA-N 322.386 3.138 0 40 DGAB Cc1c(C(=O)NCC(F)(F)F)oc2c1C(=O)CC(C)(C)C2 9576166 XIPNQVOYXFYNHJ-UHFFFAOYSA-N 303.280 3.035 0 40 DGAB CC[C@H](C)C(=O)Nc1cc(Br)ccc1NC(C)=O 72070502 LKQGXFVPXKOPPF-QMMMGPOBSA-N 313.195 3.392 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1nc2ccccc2n1CC 72298461 YRVLDWNWZCTBNM-HNNXBMFYSA-N 323.444 3.440 0 40 DGAB CC1(C)CCN(C(=O)Nc2ccnc(Cc3ccccc3)n2)C1 95460720 QEMIVKMHSUFQFV-UHFFFAOYSA-N 310.401 3.331 0 40 DGAB Cc1cnc(CCNC(=O)N2c3ccccc3C[C@H]2C)s1 84259509 MYHUHAPCPVUSFW-LLVKDONJSA-N 301.415 3.155 0 40 DGAB CCN(Cc1csc(CC(=O)NC)n1)c1cc(C)cc(C)c1 72309121 XGDPJAZBUQMGDE-UHFFFAOYSA-N 317.458 3.075 0 40 DGAB CC(C)n1ccc(CC(=O)N2CCCC[C@@H]2c2nccs2)n1 72300359 BKQYDAUNLPWENX-CQSZACIVSA-N 318.446 3.217 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N(C1CC1)[C@@H](C)C(C)C 73581349 JLFDXFTVPUHUPO-ZDUSSCGKSA-N 312.413 3.149 0 40 DGAB C[C@@H](OC(=O)c1cncc(Br)c1)c1ccccn1 73529045 IKKAGZPNADFLBM-SECBINFHSA-N 307.147 3.157 0 40 DGAB CN(C)C(=O)CN[C@@H](CC(F)(F)F)c1ccc(Cl)cc1 95984993 IMWBGFPIFATMSG-NSHDSACASA-N 308.731 3.011 0 40 DGAB COc1ccc2cc(CNC(=O)NCc3ccco3)ccc2c1 9960792 STHFTVLCIRMGEQ-UHFFFAOYSA-N 310.353 3.441 0 40 DGAB C[C@H]1C[C@@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 89920328 JRDBICHPJLHHPH-GXTWGEPZSA-N 314.351 3.108 0 40 DGAB Cc1nccc(CNC(=O)Nc2ccc(OC(C)C)c(C)c2)n1 76081955 FQOZFOOQLQZHSU-UHFFFAOYSA-N 314.389 3.202 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 76082176 HKLCMVBPAHBROC-NVXWUHKLSA-N 314.385 3.077 0 40 DGAB O=C(N[C@H]1COc2ccccc21)N[C@@H](c1nccs1)C1CC1 76086511 HLWQQXVYLFVOAX-GXTWGEPZSA-N 315.398 3.027 0 40 DGAB Brc1ncn(Cc2ccccc2)c1Br 34070816 JNMRXGWQBAWSFE-UHFFFAOYSA-N 315.996 3.456 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)c(F)c2)cc1 22563467 PJTWXDDBSIBSAF-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB O=C(Cc1cccc(Cl)c1)NCCCN1CCCCCC1 69366033 UOALLPPEGYPQBJ-UHFFFAOYSA-N 308.853 3.265 0 40 DGAB O=C(NCc1c(F)cccc1F)c1cc(-c2cccs2)[nH]n1 38488996 KLPVBNMPRRWBFY-UHFFFAOYSA-N 319.336 3.346 0 40 DGAB O=C(CCNC(=O)Oc1ccccc1)NC1CCCCCCC1 409001048 GDBQLOYHCAAVDB-UHFFFAOYSA-N 318.417 3.394 0 40 DGAB O=c1[nH]n(C2CCCCC2)c2c1[C@H](c1ccncc1)CC(O)=N2 71279127 GTLHOEUQABPMAY-ZDUSSCGKSA-N 312.373 3.200 0 40 DGAB CCN1CCC[C@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 1040360025 JDQJRUPDRRVOEN-IBGZPJMESA-N 311.429 3.116 0 40 DGAB CCOc1ccc(N(C)S(=O)(=O)c2ccc(F)cc2)cc1 72554255 VUOCGLDODYTWIR-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CCc1ccc([C@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 32735581 UPZYMXGXEQPWBT-DXRVJIQQSA-N 312.413 3.274 0 40 DGAB CSc1ccccc1C(=O)NC[C@H](O)c1sccc1C 75155223 LWCBXIMVPYILPY-LBPRGKRZSA-N 307.440 3.242 0 40 DGAB Cc1nc2ccccc2n1Cc1noc(COc2ccccc2)n1 76556469 MIQZEDGYHJYXJC-UHFFFAOYSA-N 320.352 3.355 0 40 DGAB Cn1ccnc1CN1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368080 ZCIJXXCAQOTLRW-INIZCTEOSA-N 306.413 3.033 0 40 DGAB CCCN(Cc1nc(C(=O)O)co1)[C@@H]1CCc2ccccc2C1 574577763 FWHFHKCLIFQDCU-OAHLLOKOSA-N 314.385 3.142 0 40 DGAB Cc1ccccc1C[C@H](C)NC(=O)NC[C@@H]1COc2ccccc21 568926394 XQKBDWKRWSPEKQ-DOTOQJQBSA-N 324.424 3.401 0 40 DGAB CCOC(=O)c1cnn(-c2cccc(C)c2)c1Br 85395123 YEEFOXOMRODJKZ-UHFFFAOYSA-N 309.163 3.120 0 40 DGAB COCCNC(=S)Nc1ccc(Nc2ccc(C)cc2)nc1 223886998 RUINCJBRJITTQI-UHFFFAOYSA-N 316.430 3.066 0 40 DGAB Cc1nnc([C@@H](C)Sc2nnc(-c3ccccc3O)[nH]2)s1 194586699 PBIBCRVXAABVDR-SSDOTTSWSA-N 319.415 3.191 0 40 DGAB O=C(NC[C@@H]1CCCO1)N(Cc1ccoc1)Cc1cccs1 225557876 OZIQIPILNNALSM-AWEZNQCLSA-N 320.414 3.232 0 40 DGAB COc1ccc(CNC(=S)Nc2cc(C)cc(C)n2)cc1 223926234 DNTHDOYMAUZMGS-UHFFFAOYSA-N 301.415 3.194 0 40 DGAB CCSCc1cccc(NC(=O)NC[C@@H]2CC[C@H](O)C2)c1 195578944 FGAQIOKTDYMOMW-DOMZBBRYSA-N 308.447 3.222 0 40 DGAB Cc1n[nH]cc1CNC1(c2ccc(Br)cc2)CC1 96403761 FPXHZRFPJKZSLK-UHFFFAOYSA-N 306.207 3.260 0 40 DGAB Cc1ccc(N2C[C@@]3(CCN(Cc4ccoc4)C3)CC2=O)s1 96077961 CGZBQHBPIDFFRO-KRWDZBQOSA-N 316.426 3.279 0 40 DGAB COc1ccc(CCN[C@H](C)c2ccccc2N)cc1OC 95097489 CFNIJPNYVCOJHA-CYBMUJFWSA-N 300.402 3.179 0 40 DGAB CNc1cc([C@H]2CCCN(Cc3ccnn3C(C)C)C2)ccn1 257329114 XINMLWWGURRGPB-INIZCTEOSA-N 313.449 3.280 0 40 DGAB CC(=O)N1CCC(c2ccnc(Nc3ncccc3C)c2)CC1 257302792 SEKRSJLOISZRTA-UHFFFAOYSA-N 310.401 3.255 0 40 DGAB C[C@H]1CC(C)(C)C[C@](CO)(NCc2ccc(C(=O)O)cc2)C1 455614515 DGBYYBIPPQYEKT-SCLBCKFNSA-N 305.418 3.052 0 40 DGAB CN(CC(=O)Nc1cccc(-c2cnco2)c1)c1ccccc1 65873579 AJVOHYIHDVAITB-UHFFFAOYSA-N 307.353 3.417 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N(C)Cc1ccc(Cl)s1 42687625 VMYJTJONQVYSJY-UHFFFAOYSA-N 318.229 3.369 0 40 DGAB CS[C@H](C)C(=O)N(CCc1ccccc1)Cc1ccncc1 69452997 CYALRXLAJWXGGF-OAHLLOKOSA-N 314.454 3.404 0 40 DGAB Cc1cc(C)cc(N(C)C(=O)c2cc(C)nc3c2c(C)nn3C)c1 55898820 SQNCBTCRLTUOLY-UHFFFAOYSA-N 322.412 3.479 0 40 DGAB O[C@@H](COCc1cccs1)Cn1cc(-c2ccccc2)cn1 95438731 ZMQZSZCPPSMOMP-MRXNPFEDSA-N 314.410 3.189 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2CCc2ccccc2)o1 97231510 CGTWMJVLPXFUFW-CQSZACIVSA-N 313.353 3.215 0 40 DGAB CC(C)[C@H]1CCc2ccccc2N1C(=O)c1ccc(=O)n(C)c1 89828720 QIQMDHDFSFKMDK-MRXNPFEDSA-N 310.397 3.003 0 40 DGAB CC(C)(C)OC(=O)N1Cc2cc3ccccc3nc2[C@@H]1CO 13146929 HMLJGIJWOKYLQH-AWEZNQCLSA-N 300.358 3.019 0 40 DGAB O=c1cc(COc2ccccc2)nc2sc3c(n12)CCCC3 13367761 PJEUZWSAZZYJRG-UHFFFAOYSA-N 312.394 3.214 0 40 DGAB Cc1[nH]c2ccc(CNC(=O)Cn3ccnc3C(C)C)cc2c1C 19576852 ADOASOKTUROSGO-UHFFFAOYSA-N 324.428 3.421 0 40 DGAB COc1cc(NC(=O)c2ccccc2)c(Cl)cc1C(=O)O 13171835 LFROPTOZPFBBIC-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccc(F)c(CNC[C@H]2CC(=O)Nc3ccccc32)c1 585085828 AILFKSGFPUODLR-GFCCVEGCSA-N 314.360 3.050 0 40 DGAB NC(=O)[C@@H](Sc1nccn1Cc1ccccc1)c1ccccc1 10270844 OZUGBQZNOYPQKC-INIZCTEOSA-N 323.421 3.250 0 40 DGAB CN1CCCC[C@@H]1C1CCN(C(=O)[C@]2(C)CC=CCC2)CC1 1565545284 FAFQBCNZIJDBCQ-IEBWSBKVSA-N 304.478 3.456 0 40 DGAB C[C@H]1CCCCN1c1nc(Cl)nc(N2CCCC[C@H]2C)n1 92482 VMLHWBORKYUJSA-TXEJJXNPSA-N 309.845 3.283 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)cc1F)OC2=O 100190150 ISLONOZKUMQREE-HZPDHXFCSA-N 309.312 3.025 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@@H](C)CCC(C)C)c1cccs1 40032268 YZKAVJAWZVXNQY-GXTWGEPZSA-N 310.463 3.256 0 40 DGAB O=C(CNc1ccccc1Cc1ccccc1)NCC(F)(F)F 40007984 IALTZNMNBBAZGP-UHFFFAOYSA-N 322.330 3.368 0 40 DGAB Cc1cc(-c2ccccc2)nc(S[C@H]2CCCCNC2=O)n1 21496823 QBMHYODZMVPSNX-HNNXBMFYSA-N 313.426 3.213 0 40 DGAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1C 71473 USRORBOLLJWNMP-LJQANCHMSA-N 309.365 3.025 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)C1SCSCS1 115043 WJVATDFVZBPVIB-UHFFFAOYSA-N 311.375 3.497 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1 155558 OTOQYYDKNSQICT-UHFFFAOYSA-N 318.373 3.009 0 40 DGAB COc1cc(NC(=O)C(C)C)ccc1NC(=O)c1ccco1 4399876 XQYLAZBXHBOISL-UHFFFAOYSA-N 302.330 3.135 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cc(-c2cccnc2)on1 42256347 PWXOHRWDOXFFPX-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB COc1ccc(C(=O)Nc2nnc(SC(C)C)s2)cc1 7321777 GWJVOBDTUJOQBW-UHFFFAOYSA-N 309.416 3.300 0 40 DGAB Cc1ccccc1CN(C)C(=O)c1ccc(-n2cccn2)cc1 23294883 UHPNOZUWEJENIA-UHFFFAOYSA-N 305.381 3.453 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)NCc1ccccn1 54508457 HTJVOSRGGUQVAN-UHFFFAOYSA-N 305.765 3.455 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@@H]2CCSc3ccccc32)no1 43166511 QDENAEYMQBTVEH-CQSZACIVSA-N 317.414 3.362 0 40 DGAB C[C@@H](CN1C[C@H](C)C[C@@H](C)C1)Nc1ncnc2sccc12 106139193 WGOXKOHSIWMOAW-UPJWGTAASA-N 304.463 3.470 0 40 DGAB C[C@H](NC(=O)[C@@H](C)N(C)Cc1ccco1)c1ccc(F)cc1 24972904 FWLWQXPGHRSKJB-QWHCGFSZSA-N 304.365 3.116 0 40 DGAB O=C(CSc1ncc2ccccn12)Nc1ccc(F)c(F)c1 25037750 KSAGOYQMPFERJY-UHFFFAOYSA-N 319.336 3.343 0 40 DGAB COc1ccc([C@H](NC(=O)Nc2nnc(C)s2)C2CC2)cc1 43407492 UIUHCKDTBFXCQU-CYBMUJFWSA-N 318.402 3.128 0 40 DGAB NC(=O)Nc1cccc(C(=O)N2CCC[C@H]2c2ccccc2)c1 9957735 PNMYETGGNPYVFF-INIZCTEOSA-N 309.369 3.155 0 40 DGAB O[C@@H]1C[C@@H](C2CCCCC2)N(C[C@H](O)c2ccc(Cl)cc2)C1 108159941 POSTXSRYADKAGM-SQNIBIBYSA-N 323.864 3.389 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(OC)cc1 1934136 ABYYORPYMYKSBM-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc2ncccc12 72406324 KSFGJYOCBDVKBG-QGZVFWFLSA-N 317.348 3.048 0 40 DGAB CSc1ccc(-c2noc(Cn3nc(C)cc3C)n2)cc1 57427701 IUZVEKZOJJZRPQ-UHFFFAOYSA-N 300.387 3.320 0 40 DGAB COc1cccc(OC)c1C(=O)Nc1cc(-c2ccccc2)n[nH]1 28243656 BSZIZCHVRSYRQH-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@@H]3CCc4ccccc43)cc12 11173288 BWBMMRBUNIYEKU-CQSZACIVSA-N 311.410 3.361 0 40 DGAB O=C(O)c1cccc([C@@H]2CCCN(C(=O)C3CCCC3)C2)c1 45796055 QSTLBCVPGMWOKV-MRXNPFEDSA-N 301.386 3.281 0 40 DGAB COc1cccc([C@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 48324651 KMGUQQLQUFMAFZ-MAUKXSAKSA-N 316.445 3.091 0 40 DGAB Cc1cc(NC(=O)CNc2cccc(Cl)c2Cl)no1 11622497 KXHADTMOQGINGS-UHFFFAOYSA-N 300.145 3.340 0 40 DGAB O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1cccnc1 29657410 DUWMDLIQAJPDPC-UHFFFAOYSA-N 323.318 3.142 0 40 DGAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCOC(C)C 20489907 JWPPMMRXYMPXLK-INIZCTEOSA-N 307.434 3.392 0 40 DGAB C[C@]1(c2ccc(Cl)s2)NC(=O)N(Cc2ccccc2)C1=O 60374853 LMKWMRFVEWQVDA-OAHLLOKOSA-N 320.801 3.369 0 40 DGAB Cc1ccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)cc1 2623214 QABWDPLQKFDYNW-FQEVSTJZSA-N 320.392 3.279 0 40 DGAB COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1OC 3400652 OABAODZUSHBYBP-UHFFFAOYSA-N 316.357 3.104 0 40 DGAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC4)[C@H]3C=C12 4043277 CEOLCSAOVYREMC-MPZAXGONSA-N 303.446 3.396 0 40 DGAB biogenic Cc1cccc(CCNCc2cc3cccc(C)c3[nH]c2=O)c1 4160535 PAUKZWZGQWSTHC-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB CN(C(=O)C[S@@](=O)c1cccc(Cl)c1)c1ccccc1 5208504 PFQBJTHJSMPTQY-FQEVSTJZSA-N 307.802 3.111 0 40 DGAB O=C(NC[C@@H]1CC=CCC1)c1ccc(-c2ccccc2)[nH]c1=O 65553384 XGDRWRXPNSYPLF-CQSZACIVSA-N 308.381 3.128 0 40 DGAB C/C=C/C(=O)O[C@@H](C)C(=O)Nc1ccc(C(F)(F)F)cc1 5463463 WMYYHPMAVQTGFK-NWALNABHSA-N 301.264 3.152 0 40 DGAB O=C1OCC[C@@H]1Sc1nn(-c2ccccc2)c(=S)s1 6543609 UTJWIXDSQUALTL-VIFPVBQESA-N 310.425 3.071 0 40 DGAB COc1ccc2c(c1)c1ncnc(N3CCC(C)CC3)c1n2C 5516426 SBAYNKQCLDGVHQ-UHFFFAOYSA-N 310.401 3.366 0 40 DGAB O=C(c1ccc2ccccc2n1)N(Cc1cccnc1)C1CC1 6670875 YGGUNFVCZORNMF-UHFFFAOYSA-N 303.365 3.435 0 40 DGAB Nn1c(SCc2c(F)cccc2Cl)nnc1-c1ccco1 6653950 ZNROOIQOGJWNJX-UHFFFAOYSA-N 324.768 3.337 0 40 DGAB O=C1CCCCN1C1CCN(Cc2cccc(Cl)c2F)CC1 93741794 JTZKVXGKKRRSRV-UHFFFAOYSA-N 324.827 3.456 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)c1 7605455 KWJXSORCIVYQTA-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(C)=O)cc1O 7616088 YGBZTMKSARKUDZ-MRXNPFEDSA-N 310.353 3.098 0 40 DGAB COc1cc(CNc2ncn[nH]2)ccc1OCCc1ccccc1 19872512 NOJGVDMFKCBJQP-UHFFFAOYSA-N 324.384 3.047 0 40 DGAB O=c1[nH]ncc(NCC2(Sc3ccccc3)CC2)c1Cl 68773227 ODAVSGLLGOSYBJ-UHFFFAOYSA-N 307.806 3.160 0 40 DGAB Cc1ccccc1/C=C/C(=O)Nc1cccc(S(C)(=O)=O)c1 7944719 MIIYOZABSZBZKA-ZHACJKMWSA-N 315.394 3.050 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N(C(C)C)C3CCCC3)ccc21 69327189 SVGIGAFXRUBWHH-UHFFFAOYSA-N 314.429 3.389 0 40 DGAB CCOC1CCN(C(=O)CCc2c[nH]c3ccccc23)CC1 71820663 IRGWYYVWMIYLBI-UHFFFAOYSA-N 300.402 3.128 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)n1 71870906 JTDFNCTVJUSJDY-KRWDZBQOSA-N 315.461 3.490 0 40 DGAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)CCc1ccco1 69515707 QMTQMTQALPWZQJ-AWEZNQCLSA-N 300.402 3.026 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(C)n1C(C)C 69571197 XQJJNEFLKFVWQZ-QZTJIDSGSA-N 317.477 3.385 0 40 DGAB O=C(CC1CCCCC1)N1CCCN(Cc2cscn2)CC1 69814188 KVMHFDPYLXENHZ-UHFFFAOYSA-N 321.490 3.148 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCCc3ccccc32)C1 69870785 OXNRGLFULYVZMK-PKOBYXMFSA-N 323.440 3.475 0 40 DGAB O=C(NCCCOC[C@H]1CCCO1)Nc1ccc(Cl)cc1 8727122 CYEXBTFTOBPTKB-CQSZACIVSA-N 312.797 3.047 0 40 DGAB Cc1cc([C@H]2CCCN(Cc3nc(C)c4ccccc4n3)C2)n[nH]1 84111376 JHSKWFXAAWXWFX-HNNXBMFYSA-N 321.428 3.349 0 40 DGAB Cc1noc(CCC(=O)N2CCC[C@H]2c2ccccc2Cl)n1 97017873 BSQDAFRKKGMRGO-AWEZNQCLSA-N 319.792 3.328 0 40 DGAB Cc1c(F)cccc1NC(=O)N(C)[C@@H](C)C1CCN(C)CC1 95467134 UCFMFMMHAZYJHV-ZDUSSCGKSA-N 307.413 3.328 0 40 DGAB c1ccc2oc(-c3noc(COC[C@H]4CCCO4)n3)cc2c1 88337726 ZIZQBGPBSSYINA-GFCCVEGCSA-N 300.314 3.178 0 40 DGAB Cc1ccc2cc(C(=O)N[C@H](CO)c3ccccc3)ccc2n1 95994446 MTAQEZJYKDMKDA-GOSISDBHSA-N 306.365 3.007 0 40 DGAB Cc1ncc(Cl)c(C(=O)N2CC(C)(C)Oc3ccccc32)n1 95971306 VVLDRSKDGUNXNQ-UHFFFAOYSA-N 317.776 3.256 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)[C@@H]1CC=CCC1 75602235 HJILJVSQZCZIAC-CHWSQXEVSA-N 307.825 3.402 0 40 DGAB CCCCSCCC(=O)Nc1ccc(C(=O)NC)cc1C 76018710 SMCUWZXCWOSZQY-UHFFFAOYSA-N 308.447 3.217 0 40 DGAB CC(C)=CC(=O)O[C@@H](C)C(=O)N[C@H](C)CCc1ccccc1 32910002 MAYSGQHVEAJCNK-CABCVRRESA-N 303.402 3.022 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)CCc2ccco2)cc1OC 74610394 VKGZATQOKVBBDD-NSHDSACASA-N 321.348 3.246 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cncc(C)c2)cc1 72211353 BKRQJQBSNAXAGG-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccccc1C(F)(F)F 39956961 DHJLBUSFXBGSRT-JTQLQIEISA-N 319.279 3.356 0 40 DGAB COCCCN(C)C(=O)[C@@H](C)c1ccc(Br)s1 79771519 HHQZRRXPPUIERK-VIFPVBQESA-N 320.252 3.109 0 40 DGAB CC(C)Cc1ccc(CN2CCN(C(C)C)[C@H](CCO)C2)cc1 39388113 ZBYDDEPUGCDTBC-HXUWFJFHSA-N 318.505 3.162 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)Cc2ccc(C(=O)NC)cc2)C1 76071032 YGJOXARZKXWZHF-CVEARBPZSA-N 306.475 3.152 0 40 DGAB C[C@H](Cc1ccccc1F)N[C@H]1CCO[C@@]2(CCSC2)C1 225474062 JPEWHQJNXKKCLF-KMFMINBZSA-N 309.450 3.401 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C1=O 226254773 CXJSEJWMMXJMDC-HKBMDRHJSA-N 313.784 3.206 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](c2ccccc2C(=O)O)C1 40449460 PTSFFRFRABIDJJ-LBPRGKRZSA-N 305.374 3.499 0 40 DGAB CCOc1ccc(C(=O)N(C)C)cc1NCc1csc(C)n1 86213362 KYSYNPUSWYINCV-UHFFFAOYSA-N 319.430 3.164 0 40 DGAB c1ccc(-n2cc(-c3nc(-c4cnccn4)cs3)cn2)cc1 225456015 HERHFAJNNCAZFP-UHFFFAOYSA-N 305.366 3.453 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NCc1cc(-c2cnn(C)c2)no1 190049384 ICXAXXPDYXPZDF-HOCLYGCPSA-N 320.462 3.229 0 40 DGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1C1CCCC1 225006029 CEYGYERERDSESJ-JKSUJKDBSA-N 312.442 3.325 0 40 DGAB O=C(NCC[C@H](O)C1CC1)C1c2ccccc2Oc2ccccc21 77107806 LDQVMCSLZDAJGZ-INIZCTEOSA-N 323.392 3.201 0 40 DGAB Cc1ccc(CC(=O)NCc2ccc(-n3ccnc3C)cc2)cc1 44883062 RVCSSRQOTPXKGG-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB CCc1ccc(C(=O)N2CCN(C)C[C@@H]2c2ccccc2)s1 40013020 KOABXRLWJAXUGI-MRXNPFEDSA-N 314.454 3.439 0 40 DGAB Cc1ccc2cc(CNC(=O)c3ccc(F)cc3)c(=O)[nH]c2c1C 41159426 JQYZFRGZLSOFML-UHFFFAOYSA-N 324.355 3.214 0 40 DGAB CCS(=O)(=O)c1n[nH]cc1-c1ccc(Cl)cc1Cl 96525354 KSNYRNLSNPBGFE-UHFFFAOYSA-N 305.186 3.177 0 40 DGAB CCc1nc(CN2CCC(Nc3cccc(C)c3)CC2)no1 96421208 ALRZSZXRADLYPN-UHFFFAOYSA-N 300.406 3.017 0 40 DGAB C[C@]12C[C@H](NC(=O)N1c1ccccc1)c1cc(C(=O)O)ccc1O2 96530426 OLABMJSJFJZDLF-KSSFIOAISA-N 324.336 3.154 0 40 DGAB CC(C)=CC(=O)N1C[C@H](CCN2CCCC2=O)c2ccccc21 96459178 QITDVCOSXBTQPN-HNNXBMFYSA-N 312.413 3.096 0 40 DGAB Cc1cc(C)n(CCCN[C@H](C)c2ccc3c(c2)OCCO3)n1 96476365 HFOALUBKFHVEDY-OAHLLOKOSA-N 315.417 3.012 0 40 DGAB CC(C)(C)c1csc(CC2CCN([C@@H]3CCOC3=O)CC2)n1 585115985 CKCMGPRSIDQJII-CYBMUJFWSA-N 322.474 3.011 0 40 DGAB Cc1ncsc1CN[C@H](C)c1cccc(Br)n1 585134967 RBJHKJIXIFMGFC-MRVPVSSYSA-N 312.236 3.460 0 40 DGAB CC(=O)N1CCN(C(=O)c2ccccc2C)C[C@@H]1c1ccccc1 257201230 AGULYYFPRZSQIU-LJQANCHMSA-N 322.408 3.041 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H](c3ncc(C)s3)C2)on1 257315844 VCZJDDVKEDYLKP-LLVKDONJSA-N 305.403 3.022 0 40 DGAB O=C(c1cnco1)N1CCC[C@H](Cc2cccc3ncccc23)C1 257290256 QCEIUASIPAKURP-CQSZACIVSA-N 321.380 3.318 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccn1)c1ccnc(C2CC2)n1 356964499 JXSIKQJQPJJPPH-UHFFFAOYSA-N 308.263 3.020 0 40 DGAB CCOc1cc2cc(C(=O)OC)c(Cl)nc2cc1OCC 252494883 OHJYQNUOAJLRKT-UHFFFAOYSA-N 309.749 3.472 0 40 DGAB CC(C)[C@H]1OCCC[C@H]1CNC(=O)Nc1ccn(C(C)C)n1 280647043 BTKAQDVWCKMZGA-DZGCQCFKSA-N 308.426 3.037 0 40 DGAB O=C(c1ccncc1)N(CCc1ccccc1)Cc1ccncc1 69324527 QUXQRMHLYPZAPD-UHFFFAOYSA-N 317.392 3.362 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CN1CCCc2cc(F)cc(F)c21 36754076 VSQWVPWXNWSTBP-BLLLJJGKSA-N 322.399 3.412 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1776009224 WDLOAAFUNUVMEL-KBPBESRZSA-N 323.387 3.403 0 40 DGAB CC(C)COc1ccccc1NCc1cc(=O)n2ccccc2n1 55881910 ANQKPXJKRZGYFZ-UHFFFAOYSA-N 323.396 3.341 0 40 DGAB Cc1ccn(Cc2csc(CCc3ccccc3)n2)c(=O)c1 84505838 URRNUTGZTQPZEK-UHFFFAOYSA-N 310.422 3.447 0 40 DGAB O=C1[C@H]([C@@H](O)c2ccccc2)CCC[C@@H]1[C@H](O)c1ccccc1 5064243 ITPSDCDUMAWRTR-QGFMHUBQSA-N 310.393 3.439 0 40 DGAB CC[C@H]1C[C@@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C1(C)C 5247794 MSTJZJHELXZLQI-OYNCUSHFSA-N 316.656 3.254 0 40 DGAB O=C(Nc1ccc(SCc2cccc(F)c2)nn1)C1CC1 11738036 OIRZEHIOBIVVNO-UHFFFAOYSA-N 303.362 3.257 0 40 DGAB O=C(COc1cccc(C(=O)O)c1)Nc1cccc(Cl)c1 13079994 ULPQJWHHEWVAMT-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)[C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)O 13320654 UGIGBWPOWLIVDC-XXHBBNRNSA-N 311.740 3.165 0 40 DGAB CC(=O)N[C@H]1CCO[C@@H](c2cccc(NC(=O)C(C)(C)C)c2)C1 19712084 TZXQLYBGOKYVAZ-JKSUJKDBSA-N 318.417 3.027 0 40 DGAB O=C(Nc1ccnn1Cc1ccccc1)c1ccc(F)cc1F 5256355 ZWVCZLCPXRJAPQ-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB CC(C)OC(=O)c1ccc(NC(=O)Cc2ccsc2)cc1 23686656 VATAAGJPKODCNS-UHFFFAOYSA-N 303.383 3.495 0 40 DGAB C[C@@]1(C(=O)N2CCc3ncnc(C4CC4)c3CC2)CC=CCC1 2055730188 JRABBPZIVDJVQA-LJQANCHMSA-N 311.429 3.028 0 40 DGAB Cc1cccc(S(=O)(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c1 1775973679 MSGIOMXMUKCSCD-HOTGVXAUSA-N 303.427 3.401 0 40 DGAB O=C(c1ccc2ccccc2c1)N1CCN(CC(F)(F)F)CC1 44448591 XNVUDSRJTQBSAN-UHFFFAOYSA-N 322.330 3.160 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 387200 AMIVHEOUFYMFDR-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB O=C(Cc1cccs1)OCc1nc(-c2cccs2)no1 21311506 CCUKVVPUULWGGW-UHFFFAOYSA-N 306.368 3.146 0 40 DGAB O=C(OCc1ccc(F)cc1)C12C[C@H]3C[C@@H](CC(O)(C3)C1)C2 102258785 NWEXKCAXYWPLNA-JDPPGYRCSA-N 304.361 3.200 0 40 DGAB CN(CCc1ccccc1)Cc1ccc(C(=O)NC2CC2)cc1 32804169 UQJPHHXEYXPJCC-UHFFFAOYSA-N 308.425 3.253 0 40 DGAB CCOc1ccccc1N1CCN(C(=O)C2CCCCC2)CC1 483880 DYLVMJXEELWSGU-UHFFFAOYSA-N 316.445 3.314 0 40 DGAB O=C(Cc1ccc(Cl)cc1)OCC(=O)c1ccc(F)cc1 482410 KJMQRCYLRDXCJJ-UHFFFAOYSA-N 306.720 3.448 0 40 DGAB O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 21962248 CGFIVURAFDUSHQ-XBFCOCLRSA-N 307.777 3.198 0 40 DGAB in-vitro O=C(CSCC(=O)Nc1ccccc1F)Nc1ccccc1 42667 SVAMCKCKJXJKFZ-UHFFFAOYSA-N 318.373 3.136 0 40 DGAB COc1ccccc1N1CCN(C(=O)c2cc(C)cc(C)c2)CC1 496665 YZRNLXFXTOYDNQ-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB CC(C)(C)c1cc(/C=C2\NC(=O)NC2=O)cc(C(C)(C)C)c1O 1658003 AVKZHMHSYRISOT-LCYFTJDESA-N 316.401 3.168 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 3151121 ZLCGCFCNCUVVAL-UHFFFAOYSA-N 316.323 3.340 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1cccc(C)c1C 3452189 UUXIZUZUCPJOMG-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1ccc(-c2cc3ccc(OC)cc3oc2=O)c(OC)c1 4084981 IUZBJUWPEPOOHA-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic O=C(Nc1ccccc1Cl)[C@H]1CC(=O)N(c2ccccc2)C1 4673263 MNHKYILFRYVHFG-LBPRGKRZSA-N 314.772 3.332 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C(=O)C(C)C)C(C)C)cc2c1 5248729 YYKAWFFXWLBJMF-UHFFFAOYSA-N 300.402 3.230 0 40 DGAB O=C(NCc1ccc(C(=O)O)cc1)Nc1ccc(Cl)cc1 5569676 LMSDGPZMFOSFTI-UHFFFAOYSA-N 304.733 3.360 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1C 6941189 OAGQMQSCJPGIHX-BTLRFMJDSA-N 319.474 3.390 0 40 DGAB O=c1oc2ccccc2n1CN1CCC[C@@H]1c1cccs1 7143612 PWZVDKIHEXJMGG-CYBMUJFWSA-N 300.383 3.451 0 40 DGAB CCOc1ccc(CCNC(=O)c2ccccc2)cc1OCC 7670997 MFGLROBKXCTFOF-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB CN(Cc1ccco1)C(=O)NCCOc1ccc(Cl)cc1 9156531 UHLLJQUVTZSHIG-UHFFFAOYSA-N 308.765 3.153 0 40 DGAB COc1cc2nc(CCC3CCCC3)oc(=O)c2cc1OC 9452152 FLQHFSMBHPCMCB-UHFFFAOYSA-N 303.358 3.328 0 40 DGAB Cc1csc(NC(=O)CCc2cnn(-c3ccccc3)c2)n1 10555412 OBRWHZAKMMZURR-UHFFFAOYSA-N 312.398 3.209 0 40 DGAB C[C@H](OC(=O)c1sccc1-c1ccccc1)C(=O)NC1CC1 10986197 GLMUAQLOSGUBKC-NSHDSACASA-N 315.394 3.239 0 40 DGAB O=c1ccc(C(F)(F)F)cn1Cc1ccc(-n2cccn2)cc1 11608073 WYCFXKJIXBBWOZ-UHFFFAOYSA-N 319.286 3.101 0 40 DGAB Cc1cccc(CN2Cc3ccccc3OC3(CCOCC3)C2)n1 12088439 SSQAOVWIZLMLOT-UHFFFAOYSA-N 324.424 3.334 0 40 DGAB O=C(Cc1cc(Cl)c2c(c1)OCCCO2)Nc1ccncc1 12528318 ICLAYAROPTWQQB-UHFFFAOYSA-N 318.760 3.078 0 40 DGAB CCn1ncc2c(C(=O)NC(C)C)cc(-c3ccccc3)nc21 12920087 GJUZVLYGJKSDTL-UHFFFAOYSA-N 308.385 3.256 0 40 DGAB Cc1cccc(CN(C)S(=O)(=O)c2cccc(Cl)c2)c1 14313574 LTWYMKCWANTWRP-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB Cc1cccc(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCC3)c1 15962355 NICSZXCBKFPDHL-GOSISDBHSA-N 313.446 3.317 0 40 DGAB C[C@H]1CN([C@H](CN)c2ccc(Cl)cc2Cl)C[C@@H](C)O1 21809535 SUZPBBSUTBAACQ-ISTVAULSSA-N 303.233 3.102 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccco2)on1 23127242 DFYDIMQLXCYIHK-LBPRGKRZSA-N 308.337 3.455 0 40 DGAB Cc1cc(OCCn2nnc3ccccc3c2=O)ccc1C(C)C 23658774 BHLMSGVSOPKODJ-UHFFFAOYSA-N 323.396 3.302 0 40 DGAB CC(=O)N[C@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)cc1 25377434 GSDDTWPRKZHYRY-RVKKMQEKSA-N 316.445 3.067 0 40 DGAB O=C(NCCCCc1ccccc1)c1cc2ccccc2c(=O)[nH]1 25609711 VOPJRQRNPMWYDF-UHFFFAOYSA-N 320.392 3.281 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C(=O)C[C@H]12 28294615 HYTUXCLDWATLGA-RTYCURFASA-N 300.398 3.091 0 40 DGAB biogenic COc1ccc(OC)c([C@H](C)NC(=O)c2cc(F)ccc2F)c1 28304534 YSENEAJJBUJHPK-JTQLQIEISA-N 321.323 3.473 0 40 DGAB c1ccc(-n2cnc(SCc3cn4ccccc4n3)n2)cc1 31202092 XZAOCRXWHAQYMB-UHFFFAOYSA-N 307.382 3.207 0 40 DGAB CCc1ccc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)o1 31271356 VGXVXPADJVQJPV-GOSISDBHSA-N 313.397 3.428 0 40 DGAB CCOC(=O)N1CCC[C@H](C(=O)Nc2cccc(Cl)c2C)C1 32764351 QHPMRLRBHAHFLQ-LBPRGKRZSA-N 324.808 3.455 0 40 DGAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccn1)O[C@H](C)C2 32903851 WDXDKAPQWIWDDA-SBDDDAINSA-N 324.380 3.456 0 40 DGAB O=C(CCc1ccccc1)N[C@@H]1CCCN(Cc2ccccc2)C1 32911506 BESWPNHXEWTKLZ-HXUWFJFHSA-N 322.452 3.400 0 40 DGAB CN(C)CCOC(=O)C(Cl)(c1ccccc1)c1ccccc1 33985849 HHLRKHUOLBJFQS-UHFFFAOYSA-N 317.816 3.274 0 40 DGAB CCOC(=O)c1c(C)[nH]c(CNCc2ccc(C)cc2)c1C 34927271 BMZNUYUBIXNEQK-UHFFFAOYSA-N 300.402 3.406 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@@H](c1ccco1)N1CCCCC1 39984936 MHIMPZZGYMWWHV-CVEARBPZSA-N 302.418 3.279 0 40 DGAB CCOC(=O)N1CCN([C@@H](C)c2c(C)cc(C)cc2C)CC1 40158321 LMSALTFXDAQGES-INIZCTEOSA-N 304.434 3.447 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1cccnc1 40474160 VJAOGXAORHCUID-CQSZACIVSA-N 301.415 3.362 0 40 DGAB CN(CCCNC(=O)CCc1ccccc1F)c1ccccc1 45701218 IMMRZWDZLBGEDH-UHFFFAOYSA-N 314.404 3.401 0 40 DGAB COc1ccc([C@H](C)NC(=O)Nc2nccs2)cc1OC 47150051 BVZVIULTTVSAON-VIFPVBQESA-N 307.375 3.043 0 40 DGAB COc1ccc(C(=O)CSc2nc(C)c(C)o2)c(OC)c1 47558434 RDSBVICWOYCHQQ-UHFFFAOYSA-N 307.371 3.284 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 47866365 VQKZHUVPBRCNPB-NSHDSACASA-N 323.824 3.496 0 40 DGAB CC(C)Cc1cn(C2CCN(C3Cc4ccccc4C3)CC2)nn1 48115520 SWPNSZDEFRVAKP-UHFFFAOYSA-N 324.472 3.281 0 40 DGAB COc1ccc(OCCSc2nn3cc(C)nc3s2)cc1 50932199 COTKNPMQHQGWBB-UHFFFAOYSA-N 321.427 3.279 0 40 DGAB Fc1cc(Br)ccc1OCCNC1CCCC1 53586217 UBJBFSBMMUCQJP-UHFFFAOYSA-N 302.187 3.499 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)CC1CCCCC1 55448266 KYPGXDHSENTGOI-JYJNAYRXSA-N 307.434 3.290 0 40 DGAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1ccc(F)cc1F 66091692 BTRAQLXTTBNMCM-ZETCQYMHSA-N 310.281 3.243 0 40 DGAB Nc1cccc(-c2nnc(SCC(=O)c3ccccc3)o2)c1 67321190 ZPADKWZBRIHCKL-UHFFFAOYSA-N 311.366 3.294 0 40 DGAB CCCCc1nc(CN2CCCC3(CCNCC3)CC2)c[nH]1 67755523 VICGAAGOWHHBKT-UHFFFAOYSA-N 304.482 3.108 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(O)[nH]c(=S)nc2c1 69117595 ZPZHRWPQEYHHHS-BXKDBHETSA-N 317.414 3.306 0 40 DGAB Cc1nc2cc(NC(=O)[C@@H]3CCOC3)ccc2n1-c1ccccc1 69321292 FQNOYLFCCRYBRC-CQSZACIVSA-N 321.380 3.309 0 40 DGAB C[C@@H](O)CN1CCC(CN[C@H](C)c2cccc(Cl)c2)CC1 69511787 GJCOWDDVTYWOMP-ZIAGYGMSSA-N 310.869 3.083 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)c3ccccc3)co2)cc1 69593244 WYQQUXWGBDXKQI-UHFFFAOYSA-N 322.364 3.323 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2cccnc2)n(-c2ccccn2)n1 69779328 PIRSWDRZVOPUFW-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB CC(C)Sc1ccc(Cl)cc1NC(=O)[C@@H]1COCCO1 71847621 YAPAKWIVBYMCTO-LBPRGKRZSA-N 315.822 3.194 0 40 DGAB CO[C@H](C(=O)Nc1ccc(N2CCCC2)cn1)c1ccccc1 76903801 VGSCNNQTFVUYET-KRWDZBQOSA-N 311.385 3.008 0 40 DGAB CC[C@@H](C)C(=O)NCC1(N[C@H](C)c2ccccc2)CCOCC1 79096224 KRVYJGXYRVSZTE-HZPDHXFCSA-N 318.461 3.049 0 40 DGAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1cccc2cc[nH]c12 80278022 UWUKVKOVHAQHMN-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB CCC[C@H]1c2ccccc2CCN1C(=O)c1cc(COC)on1 80293498 KVBBLOCMEXOKCG-KRWDZBQOSA-N 314.385 3.361 0 40 DGAB Cc1nn(C)cc1NC(=O)Nc1ccccc1OC(F)(F)F 84044546 NQYUJHZEORLBLV-UHFFFAOYSA-N 314.267 3.271 0 40 DGAB Cc1cc(C)nc(Cc2nc3ccc(C(C)C)cc3c(=O)[nH]2)n1 84114446 SIIIIGRQJRZGRW-UHFFFAOYSA-N 308.385 3.044 0 40 DGAB O=S(=O)(N[C@H](c1ccc(Cl)cc1)C1CC1)c1cccnc1 84425192 UWDMLJWMMDZRHI-HNNXBMFYSA-N 322.817 3.165 0 40 DGAB FC(F)(F)c1ccc(CN2CCO[C@@H]([C@@H]3CCCO3)C2)cc1 89154021 NGERKZLYVLUYTO-LSDHHAIUSA-N 315.335 3.085 0 40 DGAB Fc1ccccc1C1(CN[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 89813369 YOBONGPSEQJALX-XKQJLSEDSA-N 301.405 3.405 0 40 DGAB CC(C)=CCN1CCC(NC[C@](C)(O)c2ccc(F)cc2)CC1 90891373 UMWRXXGYGKORJQ-IBGZPJMESA-N 320.452 3.053 0 40 DGAB COc1ncccc1C(=O)O[C@@H]1CCCc2nc(C)sc21 91696228 QQNSRSAPWDLJQD-GFCCVEGCSA-N 304.371 3.090 0 40 DGAB Cc1cc(NC(=O)Cc2c(F)cccc2F)sc1C(=O)O 95042756 RMIUQKVMGPJKMJ-UHFFFAOYSA-N 311.309 3.214 0 40 DGAB CC[C@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1cnn(CC)c1 95403567 XSOIKRQJYXMCSC-INIZCTEOSA-N 323.400 3.174 0 40 DGAB COCCCCC[S@](=O)c1ccc(Br)cc1 95426039 QBEJXOYNGTXOQB-MRXNPFEDSA-N 305.237 3.373 0 40 DGAB Nc1cc2ccc(Br)cc2c(Br)n1 95628592 YPMHWINOTYQHHO-UHFFFAOYSA-N 301.969 3.342 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)N(C)[C@@H](C)c2ccccc2)c1 95953992 MEFZMQLIJJLOAB-HNNXBMFYSA-N 310.397 3.462 0 40 DGAB c1nc(NCC2CC2)cc(N2CCC[C@@H](c3nccs3)C2)n1 95994697 FUPAQGFKUFHNKU-CYBMUJFWSA-N 315.446 3.139 0 40 DGAB O=C1N(c2ccsc2)CC[C@]12CCCN(Cc1ccco1)C2 96048734 ZUSCJDVHLLVCDD-KRWDZBQOSA-N 316.426 3.360 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(-c3ccccn3)no2)cc1 96183980 DYWSQVAIVJFUBY-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB CC(C)N1c2sc(-c3ccsc3)nc2C[C@H]1C(=O)N(C)C 96264481 ABFARADTUNSCPT-LBPRGKRZSA-N 321.471 3.099 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)c1cccc(NC(=O)C2CC2)c1 96411801 LTIKYHJZZQYOCF-UHFFFAOYSA-N 320.352 3.164 0 40 DGAB COCc1ccccc1N[C@H](C)Cn1cc(Br)cn1 97045844 RNFHNPDFVDRZRV-LLVKDONJSA-N 324.222 3.293 0 40 DGAB C[C@H](NC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1nc[nH]n1 97049219 RAJKCLHKEBMCMQ-WFASDCNBSA-N 313.405 3.096 0 40 DGAB Cc1nc2ccccc2c(NCC2CCS(=O)(=O)CC2)c1C 97086033 DBZPVPBGNAHGAH-UHFFFAOYSA-N 318.442 3.088 0 40 DGAB CC1(C)C[C@H](NCc2csc([C@H]3CCCO3)n2)C(C)(C)O1 97103340 WTRHASNVJYVSTF-OLZOCXBDSA-N 310.463 3.430 0 40 DGAB COC(=O)C1(CNC(=O)C2CCC(F)(F)CC2)CCCCC1 97372105 UOAPVJFREKTAJR-UHFFFAOYSA-N 317.376 3.052 0 40 DGAB Cc1csc(N(C)C(=O)CCCOc2ccc(F)cc2)n1 97393385 BOODLVWDRGRQEQ-UHFFFAOYSA-N 308.378 3.413 0 40 DGAB C[C@@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)CC1(C)OCCO1 97594326 NHJUIRZZCYIEKA-PGBRGIIUSA-N 321.461 3.108 0 40 DGAB C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102325540 PWLUYWICKNOGTH-ZDEQEGDKSA-N 313.850 3.443 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2nnc(S)n2C(C)C)C1(C)C 108899158 YMBBIVKFSHKNDP-DGCLKSJQSA-N 322.478 3.002 0 40 DGAB Nc1ccnc(CSc2nnc(CCC3CCCCC3)o2)n1 162987468 VEGOIYNEIUPDCW-UHFFFAOYSA-N 319.434 3.247 0 40 DGAB CC[C@]1(C)CN(C(=O)Nc2cccc(N(C)C)c2C)CCO1 190216443 PVEAUXRRBGGCTL-QGZVFWFLSA-N 305.422 3.094 0 40 DGAB C[C@H]1CC(=O)c2cnn(-c3ccccc3Br)c2C1 199727777 VRJNOZNAQXOQQW-SECBINFHSA-N 305.175 3.400 0 40 DGAB O=C(NC[C@@H](O)c1cccc(Cl)c1)OCc1ccccc1 199812195 BIVMIFLRWIVCQU-OAHLLOKOSA-N 305.761 3.300 0 40 DGAB COc1cccc(OCC(=O)Nc2cccc(OC(C)C)c2)c1 222789452 DYRCZNGFOQJYSV-UHFFFAOYSA-N 315.369 3.500 0 40 DGAB Cc1ncccc1NC(=O)C[C@@H](CC(=O)O)c1cccs1 223128149 BOWVYBORJVZNNN-NSHDSACASA-N 304.371 3.039 0 40 DGAB C[C@@H](NC(=O)Cn1ccc(=O)c2ccccc21)c1ccc(F)cc1 225721365 UPNNZLBMXDLYRB-CYBMUJFWSA-N 324.355 3.018 0 40 DGAB CC(C)(C)c1csc([C@H]2CN(C(=O)c3ccoc3)CCO2)n1 225765856 NHBHZKZHBHQQMZ-GFCCVEGCSA-N 320.414 3.247 0 40 DGAB COc1ccc(C(=O)Nc2cc(N)ccc2N2CCCC2)cc1 226255866 IIHZZXNCGGJAAX-UHFFFAOYSA-N 311.385 3.130 0 40 DGAB O=C(c1cc2ccccc2s1)N1CCn2nc3c(c2C1)CCC3 245093483 RPRTXAINEXOQHZ-UHFFFAOYSA-N 323.421 3.243 0 40 DGAB CCN1CC[C@@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 257276282 NTCJVWFUVOWCJK-GFCCVEGCSA-N 303.435 3.103 0 40 DGAB Cc1cccnc1CN1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257307883 TUMOOGZRRHJRNN-HHXXYDBFSA-N 309.413 3.074 0 40 DGAB COc1cccc(F)c1CN1CCC[C@H](c2nc(C)cn2C)C1 257332442 XXIZYSVQBVJKLD-AWEZNQCLSA-N 317.408 3.256 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2csc(C3CC3)n2)C1 340144933 BHGBBEQWUWMMPG-CYBMUJFWSA-N 321.490 3.147 0 40 DGAB COc1ccc2cc(C(=O)NC3CCC(F)(F)CC3)[nH]c2c1 534941233 QRRFZTUVYWGJEG-UHFFFAOYSA-N 308.328 3.484 0 40 DGAB O=C(Cc1cccs1)N1CC[C@@H](n2cnc3ccccc32)C1 575618980 YNGPGRKUMIYTAF-CYBMUJFWSA-N 311.410 3.114 0 40 DGAB C/C(=C\C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccccc1 584908423 FKHKKMABZKHXDY-ZQHYZAEZSA-N 301.386 3.193 0 40 DGAB O[C@H](c1nc(-c2cc(Br)cs2)no1)C1CCC1 585133908 ZMDHFFUPBKMHQV-VIFPVBQESA-N 315.192 3.394 0 40 DGAB O=C(O)Cc1c(-c2ccc(O)cc2)oc2cc3c(cc12)OCO3 1547139177 LMWRVJBYPHUZAD-UHFFFAOYSA-N 312.277 3.161 0 40 DGAB biogenic COc1ccc(-c2n[nH]c(-c3cc4ccccc4oc3=O)n2)cc1 336688 QAOZWCOIHIJXNE-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB CCCC(=O)N(C)c1ccccc1C(=O)NCCc1ccccc1 12293635 GFOMJBBOLKUWAB-UHFFFAOYSA-N 324.424 3.422 0 40 DGAB COc1ccc(CNC(=O)COc2cccc(Cl)c2)cc1 3516088 FOGWZLHGVDAQKP-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB CCOCCCCNC(=O)Nc1ccc(Br)cc1 47321334 VZTHQRDDKGEAFC-UHFFFAOYSA-N 315.211 3.387 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c(C)c1O 47383678 GETBIZRGFLNURR-UHFFFAOYSA-N 317.410 3.299 0 40 DGAB COc1ccc(NC(=O)NCc2ccc([C@H](C)O)cc2)cc1 53755909 OFUVTCDKUFFMRV-LBPRGKRZSA-N 300.358 3.070 0 40 DGAB COc1cccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2C)c1 4511600 JCQBVHHUOZMOQD-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB O=C(CNC1CCCC1)NC(c1ccccc1)c1ccccc1 4894414 WZJMRRJPAKYZGD-UHFFFAOYSA-N 308.425 3.424 0 40 DGAB COc1ccc([C@@H](CO)N(C)Cc2ncc(C(C)(C)C)o2)cc1 71904392 CJCQWKNFHGQTGG-OAHLLOKOSA-N 318.417 3.146 0 40 DGAB CN(Cc1ccn(C)n1)C(=O)C12CC3C[C@@](C)(C1)C[C@@](C)(C3)C2 102598107 QUHKYJUUBKJYQR-NBLCHNQSSA-N 315.461 3.375 0 40 DGAB CC[C@@H](C(=O)OC)n1c(-c2ccccc2)nc2ccccc2c1=O 914948 QMDWZEXTZVAQNE-INIZCTEOSA-N 322.364 3.188 0 40 DGAB CC[C@@H](Nc1nc(C)nc2c1cnn2C)c1nc2ccccc2[nH]1 71904202 DRFMOPYVNFYNTL-GFCCVEGCSA-N 321.388 3.111 0 40 DGAB CC(=O)c1cc(CCC(=O)n2cccc/c2=N/C(C)C)oc1C 102833689 CUHTXNHBIDHHJW-ZPHPHTNESA-N 314.385 3.174 0 40 DGAB O=c1c2ccccc2cnn1Cc1coc(-c2ccc(F)cc2)n1 24231138 NMAYGNIVTDIWKL-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB COc1ccc(F)cc1N[C@@H](C)c1ccc(S(C)(=O)=O)cc1 97038492 QOIKJODYMDGQFL-NSHDSACASA-N 323.389 3.411 0 40 DGAB c1cncc(-c2n[nH]cc2CNCCCOC2CCCCC2)c1 42911991 SRAVPKUMUMXNDK-UHFFFAOYSA-N 314.433 3.301 0 40 DGAB CCCC(=O)Nc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 9064127 ORTMIZSXQMVPLS-UHFFFAOYSA-N 321.446 3.284 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@@H]1CCCN(Cc2ccccc2)C1 106155164 YLBVRAHUSSSVHW-MJGOQNOKSA-N 312.457 3.371 0 40 DGAB O=C(NCc1ccco1)Nc1ccc2[nH]c(C(F)F)nc2c1 97022533 QXZZDARGQHWCRS-UHFFFAOYSA-N 306.272 3.415 0 40 DGAB CC1(C)[C@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1F)OC2=O 1432745 ISLONOZKUMQREE-CVEARBPZSA-N 309.312 3.025 0 40 DGAB NC(=O)c1ccccc1OCc1csc(-c2ccco2)n1 25432623 YDYKIMYJDPVRNJ-UHFFFAOYSA-N 300.339 3.081 0 40 DGAB CC(C)c1nnc(NC(=O)N2CCn3cccc3[C@@H]2C)s1 43697402 PPIVEPHDESDKIB-JTQLQIEISA-N 305.407 3.072 0 40 DGAB Cc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NC2CC2)o1 26520473 AROQPWKNORMOIV-UHFFFAOYSA-N 307.353 3.333 0 40 DGAB CCN(CC)C(=O)[C@H](C)Sc1ccc(Br)cn1 97150667 OKWBEZDGPHQPKF-VIFPVBQESA-N 317.252 3.193 0 40 DGAB O=C(NC[C@H]1CCCN(Cc2ccccc2)C1)C1CCCC1 58264451 JQNIQVXJFIVLAX-QGZVFWFLSA-N 300.446 3.205 0 40 DGAB O=C(Nc1nncs1)c1ccc(Sc2ccccn2)cc1 58228019 YZDVNCUEIVBODX-UHFFFAOYSA-N 314.395 3.337 0 40 DGAB NC(=O)Nc1cccc(CNC(=O)c2sccc2C2CC2)c1 58293346 GWXLOHFJPPTUDA-UHFFFAOYSA-N 315.398 3.046 0 40 DGAB O=C(Cn1cnc2ccccc21)Nc1ccc(N2CCCC2)cc1 29358571 JSSYRRLVDLGSJO-UHFFFAOYSA-N 320.396 3.275 0 40 DGAB Cc1cc(C(=O)OCC(=O)N2CCCc3ccccc32)c(C)o1 3464113 YLYFAVGMZKHGFO-UHFFFAOYSA-N 313.353 3.033 0 40 DGAB COc1cccc(C(=O)Nc2nonc2-c2ccc(C)cc2)c1 8915705 LGOUWBNYEMBCFN-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(F)c(F)c2)c2ccccc2N1 12937564 DVNDGHOCXQRKRW-LLVKDONJSA-N 302.280 3.029 0 40 DGAB Cc1cc(O)n2nc(NCc3ccc(Cl)cc3Cl)nc2n1 9013585 OTJMYNGTZPUZDK-UHFFFAOYSA-N 324.171 3.057 0 40 DGAB CC(C)Oc1ccccc1CNc1cncc(-c2nncn2C)c1 93110558 FJFVDRHZJZGZLZ-UHFFFAOYSA-N 323.400 3.276 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)NCCN(C)C1CC1 65449418 IIEUZWBVDUFJOS-UHFFFAOYSA-N 321.471 3.004 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC(c3ccccc3)CC2)n1 65553128 MDIMRZDSSYMUTB-INIZCTEOSA-N 311.429 3.467 0 40 DGAB COc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c1 6486720 QSFQXCUDDOVPHY-NSHDSACASA-N 317.316 3.018 0 40 DGAB CCCCNc1ccccc1C(=O)OCC(=O)c1ccc[nH]1 4500283 OWFZEPYMDWRCIJ-UHFFFAOYSA-N 300.358 3.266 0 40 DGAB CCCCN1C(=O)S[C@H](Nc2ccc(OCC)cc2)C1=O 4748444 LZJPWZSHXKTMOL-ZDUSSCGKSA-N 308.403 3.319 0 40 DGAB Cc1ccc(-c2nnc(Cn3c(=O)oc4ccccc43)o2)cc1 6758504 PURWEFYLFYUVSZ-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB CCC(CC)NC(=O)CSc1nnc(Cc2ccccc2)o1 4934525 TZTKWXVMOGSVRL-UHFFFAOYSA-N 319.430 3.057 0 40 DGAB CN(CC(=O)NCCc1ccccc1)Cc1ccccc1Cl 5938745 YFRXKIPLWYUQOW-UHFFFAOYSA-N 316.832 3.131 0 40 DGAB O=C(O)CSc1nc(-c2cc3ccccc3oc2=O)cs1 16525665 HHIOGCFJAAMBSU-UHFFFAOYSA-N 319.363 3.093 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N1[C@@H](C)CCC[C@@H]1C 68962634 NDPVTOZMBWGXAY-KBPBESRZSA-N 317.433 3.155 0 40 DGAB O=C(CCNC(=O)Nc1ccccc1)Nc1cccc(Cl)c1 9585765 MNDVOORZHPQZLF-UHFFFAOYSA-N 317.776 3.490 0 40 DGAB Cc1nc(C)n(C[C@H]2CCCN(C/C=C/c3ccccc3)C2)n1 69820214 UXTXXKRZRVDOOT-IUYMFKLXSA-N 310.445 3.320 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 69948831 TWYDVJAFOZCRFE-CQSZACIVSA-N 316.405 3.089 0 40 DGAB CC(C)C(=O)Nc1ccc(C(=O)OCc2cncs2)cc1 97138866 RRFSXOQOLSGIQE-UHFFFAOYSA-N 304.371 3.095 0 40 DGAB CCOCc1ccc(CNC(=O)Nc2ccncc2F)cc1 97135715 SIJKGKFUBLXTLO-UHFFFAOYSA-N 303.337 3.079 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccc(C)c(O)c2)cc1 72301086 JCSLFHYIEANSGE-MDZDMXLPSA-N 303.383 3.422 0 40 DGAB C[C@@H](CNC(=O)N(C)Cc1cccn1C)c1ccc(F)cc1F 95415684 FBTUOYQOBNMSTA-LBPRGKRZSA-N 321.371 3.248 0 40 DGAB O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@H]1OCCc2ccccc21 95446761 VWPXDWUHOQPTNQ-SFHVURJKSA-N 319.364 3.329 0 40 DGAB CC[C@@H](NC1CCN(Cc2ccccn2)CC1)c1nccs1 95422820 RYDNYZFUJVMFPR-MRXNPFEDSA-N 316.474 3.243 0 40 DGAB CCc1noc(C)c1CN1C(=O)CC2(CCCCC2)CC1=O 95975890 IJVQDKDHJQPHJR-UHFFFAOYSA-N 304.390 3.145 0 40 DGAB CCc1nc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cs1 89289915 FEPAKFXNUSXRHK-UHFFFAOYSA-N 324.789 3.238 0 40 DGAB CCO[C@H](C)c1noc(CN(C#N)c2cccc(CC)c2)n1 89289527 HAAMDHOSSIXYQW-GFCCVEGCSA-N 300.362 3.217 0 40 DGAB O=C(c1c[nH]c2ncccc12)N1CCSC2(CCCCC2)C1 89800273 QFSZVBGAKRLHHR-UHFFFAOYSA-N 315.442 3.455 0 40 DGAB Cc1ccc(SCCNc2ccc(C(=O)N(C)C)cn2)cc1 75610765 CJNHKZOLHBDMCB-UHFFFAOYSA-N 315.442 3.296 0 40 DGAB C[C@@](O)(CNC(=O)c1cc2cccc(F)c2o1)c1cccs1 76084458 PPROPPOJNZSWOQ-MRXNPFEDSA-N 319.357 3.271 0 40 DGAB Cn1cc(C(=O)Nc2ccc(Br)cc2Cl)cn1 27937803 BFAZGJGEYFHYQU-UHFFFAOYSA-N 314.570 3.088 0 40 DGAB c1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccco4)C[C@@H]2C3)cc1 306125082 CGJWHTIQXRFTRA-IRXDYDNUSA-N 319.408 3.447 0 40 DGAB O=C(c1cnnc2ccccc12)N1CCC[C@@H](C(F)(F)F)C1 527778428 XHKMWOVZKWJUGG-SNVBAGLBSA-N 309.291 3.044 0 40 DGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCC1 216384288 BEEOFAPQVKPXMD-MRXNPFEDSA-N 324.852 3.100 0 40 DGAB Cc1ncn(-c2ccc(C(F)(F)F)cc2Br)n1 2362803689 XWBWAKXAMLALAC-UHFFFAOYSA-N 306.085 3.357 0 40 DGAB C[C@@H](c1cccs1)N(C)Cc1ccc(NS(C)(=O)=O)cc1 78921922 FGKBGOFUNLEJEC-LBPRGKRZSA-N 324.471 3.313 0 40 DGAB O=C(OCc1ccccn1)c1cccc(OCc2cccnc2)c1 79091595 PFKMQQTXVPNXAF-UHFFFAOYSA-N 320.348 3.413 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccc(C)c(C)c2)cc1 224390610 OIROSJMQTKGROM-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CCOc1ccc(Nc2ccc(C(=O)NC3CC3)cc2N)cc1 225431693 OLNSZSRVJYPEKX-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCCC(C)C 222755141 RQUGNELJACAHSW-INIZCTEOSA-N 318.461 3.366 0 40 DGAB Cc1cccc(Cl)c1NC(=O)N[C@H]1CC(=O)N(C(C)(C)C)C1 132965076 ACIIMVWXCANSBJ-NSHDSACASA-N 323.824 3.169 0 40 DGAB Cc1nc(C)c(C(=O)NCc2cccnc2-c2ccncc2)s1 225749672 MWODIFKODRMCQR-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB O=C(c1ccco1)N1CC[C@H](Oc2cccc3cccnc23)C1 225704692 ZNCGWIYVYQSLPJ-AWEZNQCLSA-N 308.337 3.121 0 40 DGAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccc(F)cc1 224908648 YJNDBQNJLUKPLM-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB CN(Cc1c(F)cccc1Cl)Cc1cnc2cnccn12 225532840 IXCQRBPOFRQDLZ-UHFFFAOYSA-N 304.756 3.154 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1C 222928600 ORGRVKKCALFJHU-HOTGVXAUSA-N 314.458 3.049 0 40 DGAB COc1cccc(OCCNC(=O)c2ccc(Cl)cc2)c1 223370111 LJZURXVZZDCYFT-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB O=C(O)CCCCCNC(=O)Cn1ccc2ccc(Cl)cc21 40267589 AEVHWUZRODWGRH-UHFFFAOYSA-N 322.792 3.056 0 40 DGAB C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccc1 226853045 YASZBFMQUUGUCW-CQSZACIVSA-N 307.353 3.278 0 40 DGAB COc1ccc(NC(=O)C2(Sc3ccccc3)CC2)cn1 225960437 LJUNJDPTBCRBQL-UHFFFAOYSA-N 300.383 3.354 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225594800 PXTBHYFDWZJAJG-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB CC1CCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)CC1 96192913 SSUPQMKXSYWTSX-QGZVFWFLSA-N 320.820 3.482 0 40 DGAB CCc1nnc(NC(=O)N[C@H](c2ncccc2C)C(C)C)s1 96406968 WOIKPFUGKUBQBN-LBPRGKRZSA-N 319.434 3.323 0 40 DGAB Cc1nc([C@@H]2C[C@@H]3CCN(Cc4ccc(C)s4)C[C@H]3O2)no1 96046396 INKOXPGXYSATOI-AEGPPILISA-N 319.430 3.100 0 40 DGAB C[C@H]1c2ncc(COc3cccnc3)n2CCN1Cc1ccoc1 96205995 PXRZGTACRLTOKL-AWEZNQCLSA-N 324.384 3.027 0 40 DGAB CC(C)n1ccc(-c2cc(C(=O)NC3CC3)c3ccccn23)n1 96154700 RHFKZEDBXWPDGX-UHFFFAOYSA-N 308.385 3.276 0 40 DGAB CCCCCOCC(=O)N1CCC2(CC1)C(F)(F)C2(F)F 585090259 KOPDVYTXJCGMOG-UHFFFAOYSA-N 311.319 3.086 0 40 DGAB CC(C)C(=O)N1[C@H](c2ccccc2)C[C@]2(C)NC(=O)CCC[C@H]12 257217533 CZJMLDDWGIXUEY-BXWFABGCSA-N 314.429 3.043 0 40 DGAB CN1CC/C(=C\C(=O)N[C@@H](c2ccccc2)c2ccc(F)cc2)C1 585120819 NFSDFOWMRJKFPH-GUCAUAJOSA-N 324.399 3.293 0 40 DGAB O=C1[C@H]2CCCCN2C(=O)N1c1ccc2nc(C3CC3)oc2c1 278234337 VMVNFMCLMSKOLR-CYBMUJFWSA-N 311.341 3.026 0 40 DGAB CSc1ccc(C)c(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1 44940997 KQXGDVBYCPMTMX-ZDUSSCGKSA-N 305.443 3.358 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1)[C@H]1C=C[C@H]2C1=C1CCCC1 222390408 KDADEENOYSUPPW-LAQRGFTBSA-N 305.377 3.479 0 40 DGAB CCOC(=O)CC(=O)c1cccc(NC(=O)OC(C)(C)C)c1 95635211 NRPSKLVQBGMSRP-UHFFFAOYSA-N 307.346 3.170 0 40 DGAB in-vitro C[C@H](N[C@@H]1CCCCNC1=O)c1cc(F)c(Cl)cc1Cl 95947370 YXYFVYLOIDYPLA-ISVAXAHUSA-N 319.207 3.452 0 40 DGAB COc1ccc(/C=C/c2cc[n+](C)cc2)cc1CN1CCCC1 5002269 RSQRQEYQIBTLDM-AATRIKPKSA-N 309.433 3.286 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCc3sccc3C2)cc1F 12925488 FWWDYJCOWSCHPP-HWKANZROSA-N 317.385 3.494 0 40 DGAB O=C(c1cc(-c2ccccn2)n[nH]1)N1CC[C@@H](c2ccccc2)C1 19657054 YGAWLJBTBQEJHD-OAHLLOKOSA-N 318.380 3.101 0 40 DGAB CC[C@H](O)CSc1nnc(NCc2ccc(F)cc2)s1 156233757 CMGVKMGSTXYDTJ-NSHDSACASA-N 313.423 3.152 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NC(=O)C2CCCC2)CC1 100809487 VMSVHAJBHVQJFN-OKILXGFUSA-N 310.438 3.129 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@H](O)C[C@@H]1c1cccc(F)c1 579623195 BWQIHPWTHJYRPZ-GDBMZVCRSA-N 315.344 3.244 0 40 DGAB COc1ccccc1OCC(=O)N[C@H]1CCCc2ccccc21 3606563 UKXBMLUQNKDDKI-INIZCTEOSA-N 311.381 3.268 0 40 DGAB CN(Cc1ccccc1Cl)C(=O)[C@H]1COc2ccccc2O1 3614670 USKFPLZGSYJSCK-MRXNPFEDSA-N 317.772 3.138 0 40 DGAB Cc1cc(N2CC(n3c(C(C)C)nc4ccccc43)C2)ncn1 1888879344 XFGAEEIXAAJMPM-UHFFFAOYSA-N 307.401 3.319 0 40 DGAB COc1ccc(Cl)c2sc(N3CCC[C@@H](CO)C3)nc12 1889108931 HWNIOCNRRGOFNM-SECBINFHSA-N 312.822 3.167 0 40 DGAB COc1ccc(C(=O)c2c[nH]c3cc(F)c(F)cc3c2=O)cc1 1889249487 XVWDQLCILRTQBS-UHFFFAOYSA-N 315.275 3.046 0 40 DGAB Cc1c(-c2nc(-c3ccccc3)no2)nnn1-c1ccc(F)cc1 7006570 XOXKJUNBYGTKJH-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB Cc1ccc(S(=O)(=O)CCCC(=O)Nc2ccccc2)cc1 9912892 BNPFWYZUTFJNTC-UHFFFAOYSA-N 317.410 3.188 0 40 DGAB Fc1cccc2sc(N3CC(N4C[C@@H]5CCC[C@H]5C4)C3)nc12 2070376346 OJSMROXDFFDMSL-RYUDHWBXSA-N 317.433 3.356 0 40 DGAB COc1ccc(CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1F 40108244 DBYZESNKUFUAQJ-XJKSGUPXSA-N 323.408 3.088 0 40 DGAB COC(=O)c1ccc(OCCN2CCC[C@H]2c2ccc[nH]2)cc1 40154533 GQKAIRXYKJDTQO-KRWDZBQOSA-N 314.385 3.017 0 40 DGAB CNC[C@@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 40596150 PKCRJGJQDDWIRR-JTQLQIEISA-N 301.217 3.065 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@H](C)OC[C@@H]3C)cs2)cc1 32797043 SSJISBGLEHXDOP-STQMWFEESA-N 316.426 3.368 0 40 DGAB CC(=O)c1ccc(C(=O)NCCOc2cccc(C)c2)s1 32768595 UHBRMVJTCGUXQQ-UHFFFAOYSA-N 303.383 3.068 0 40 DGAB COCc1ccc(C(=O)NC[C@@H](C)N2CCc3ccccc32)cc1 33056171 CDZQGVVVNXELJS-OAHLLOKOSA-N 324.424 3.014 0 40 DGAB COC(=O)c1cccc2c1CCCN2Cc1c(C)noc1C 53053423 WFKQFJACDNBZQC-UHFFFAOYSA-N 300.358 3.031 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc(F)cc2)c(OC)c1 147335 HTDGHHAWJKZQRC-ONNFQVAWSA-N 301.317 3.495 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cc1 255545 STIGGSOHHZUGKX-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CC(C)c1nnc(SCC(=O)Nc2ccc(Cl)cc2)n1C 410465 JEJCWQPWDBMNSP-UHFFFAOYSA-N 324.837 3.323 0 40 DGAB CC(C)C(=O)Nc1ccccc1C(=O)OCC(=O)C(C)(C)C 555922 NZRICAARRRURNT-UHFFFAOYSA-N 305.374 3.053 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1nnc(C(C)C)s1 804548 KOPFADSCOAFRMA-LBPRGKRZSA-N 305.403 3.458 0 40 DGAB c1ccc(CNc2ncnc3c2ncn3Cc2ccccc2)cc1 1701607 SZJGVRNGPKGSMQ-UHFFFAOYSA-N 315.380 3.487 0 40 DGAB COc1ccc(NC(=O)COC(=O)c2cccc(Cl)c2)cc1 1943563 VAMNICTYFZPTFW-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CSc1ccc([C@@H]2NC(=O)c3oc4ccccc4c(=O)c32)cc1 2348572 LCMLWHQUOMHYST-HNNXBMFYSA-N 323.373 3.348 0 40 DGAB CC(C)(C)SCCNc1nc(Cl)nc(NCC2CC2)n1 2570321 MQDYHMYFHBFCTE-UHFFFAOYSA-N 315.874 3.291 0 40 DGAB CCc1nnc(NC(=O)c2ccc(OCC(C)C)cc2)s1 2658431 CSQUFSKXJUFLRG-UHFFFAOYSA-N 305.403 3.388 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 4846462 XSYDASDJHIEZEW-IJEWVQPXSA-N 303.402 3.093 0 40 DGAB C[C@]1(C(=O)N2CCCc3ccccc32)Cc2ccccc2C(=O)O1 5033507 LTZKZHNZCSXOCZ-HXUWFJFHSA-N 321.376 3.138 0 40 DGAB O=C(O)C(=Cc1cn(Cc2ccccc2)c2ccccc12)C(=O)O 5048343 YDRNLEJLOBFBLO-UHFFFAOYSA-N 321.332 3.242 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)[C@@H]1CC(c2ccccc2F)=NO1 6738453 UCHOMWZUVYDQKQ-MKBNYLNASA-N 304.365 3.108 0 40 DGAB COc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)cc1 7214368 OXHDIKPSSWFQCI-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB CN(CC(=O)NCc1ccccc1Cl)Cc1ccccc1F 8485384 MZQQZAQGXKCWRB-UHFFFAOYSA-N 320.795 3.227 0 40 DGAB CCOc1ccc(NC(=O)c2cc(Cl)nc(Cl)n2)cc1 8754470 IMIYYMNWXGDFLH-UHFFFAOYSA-N 312.156 3.434 0 40 DGAB CCc1ccc(NC(=O)CSc2nnc(CC)n2CC)cc1 9263834 QJQKACBQEGSYDE-UHFFFAOYSA-N 318.446 3.154 0 40 DGAB Cn1cc(CCCC(=O)NCc2cccnc2)c2ccccc21 9406305 FUDBABLBKDJGAU-UHFFFAOYSA-N 307.397 3.212 0 40 DGAB CC(C)(C)c1csc(NC(=O)Cc2ccc3c(c2)OCO3)n1 9521304 LQDMTLCJJSHIHR-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB COc1cccc(C(=O)NC[C@@H](c2ccc(C)cc2)N(C)C)c1 10017885 KUMMQVPQKJKKPC-SFHVURJKSA-N 312.413 3.036 0 40 DGAB O=C(CCCOc1ccc(Cl)cc1)NCCCN1CCCC1 10539111 AHVVYGDRDUCWSD-UHFFFAOYSA-N 324.852 3.101 0 40 DGAB Cc1cc(C(F)(F)F)c2c(NCc3ccncc3)n[nH]c2n1 12221477 YSHVYEHDIXSCDF-UHFFFAOYSA-N 307.279 3.292 0 40 DGAB Cn1cc([C@H]2CCCCCN2C(=O)c2cccc(F)c2)cn1 12232538 UNMGCOVSNYUIPK-MRXNPFEDSA-N 301.365 3.317 0 40 DGAB Cn1ncc2c1CCc1sc(NC(=O)C3CCCCC3)nc1-2 12327158 NXLIPDZAGLKXIB-UHFFFAOYSA-N 316.430 3.161 0 40 DGAB Cc1ccccc1C(=O)NC[C@@H](c1cccc(F)c1)N(C)C 12945131 STDYNMGVSDYIMY-KRWDZBQOSA-N 300.377 3.167 0 40 DGAB C[C@@]1(c2ccccc2)NC(=S)N(c2ccc(Cl)cc2)N1 16605304 KOPMBYCTVXWJDR-OAHLLOKOSA-N 303.818 3.412 0 40 DGAB CCc1cc(CNC(=O)c2cc(C)nc3c(C)cccc23)on1 19522815 ZGVHTQKUTIKBHG-UHFFFAOYSA-N 309.369 3.332 0 40 DGAB CCOc1ccccc1-c1nnc(NC(=O)c2ccccc2)o1 19927147 BNEGALCZYJBXFN-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB Cc1c([C@H](C)NC(=O)c2ccc(-n3cccc3)cc2)cnn1C 25001411 VYRGTKZGQWUQFV-ZDUSSCGKSA-N 308.385 3.010 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)N[C@H](C)c3cnn(C)c3C)c2c1 25005246 UBROMHIBQWTILM-CYBMUJFWSA-N 324.428 3.247 0 40 DGAB Cc1c(C)n(C)c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)cc12 27979738 YFZXSHKNUOTEFW-RYUDHWBXSA-N 300.402 3.045 0 40 DGAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1ccoc1 30404457 JSDJPCSDNKRABG-UHFFFAOYSA-N 304.689 3.340 0 40 DGAB Cc1nnc(NC(=O)c2csc(Cc3ccccc3)n2)s1 30561179 MEODOPBSXWHGQJ-UHFFFAOYSA-N 316.411 3.146 0 40 DGAB CC[C@@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1CCCO1 30754711 PEUJSHDGWNHOMZ-NVXWUHKLSA-N 313.397 3.292 0 40 DGAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccs1 31203333 IROLNYCUJDZDLA-JTQLQIEISA-N 307.419 3.239 0 40 DGAB COc1ncccc1C(=O)N[C@@H]1CCSc2ccccc21 32339307 LNXATLSADWRECW-CYBMUJFWSA-N 300.383 3.057 0 40 DGAB COC(=O)c1cc(NC(=O)c2cccc(C(F)(F)F)c2)c[nH]1 32809646 HQOMXXFOWBYDCR-UHFFFAOYSA-N 312.247 3.072 0 40 DGAB C[C@H](NC(=O)Cc1ccc(-n2cccn2)cc1)c1cccs1 32930895 PCAWUDKNJYCHDT-ZDUSSCGKSA-N 311.410 3.354 0 40 DGAB O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)C1CCC1 33028452 WGLSNIIEPAMJHS-INIZCTEOSA-N 306.837 3.393 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H](C(=O)O)CS[C@H]1c1ccccc1 33882796 QTGJLLUGEPDNFX-NEPJUHHUSA-N 309.387 3.122 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H]1C(=O)O 38341857 AJISPVUUZAWPBP-OLZOCXBDSA-N 309.337 3.003 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@]1(Cc1cccc(F)c1)C(=O)O 39795852 ZOWFREFSRRIXOC-KRWDZBQOSA-N 323.364 3.223 0 40 DGAB COc1ncccc1C(=O)Nc1cc(Cl)c(N)c(Cl)c1 40058701 GJLHOXPRDKXHTH-UHFFFAOYSA-N 312.156 3.232 0 40 DGAB CCc1nc(NC(=O)Cc2noc3ccccc23)sc1C 44732475 KIIGTIUKOHNMTB-UHFFFAOYSA-N 301.371 3.336 0 40 DGAB CCOc1ccc(CNC(=O)Nc2ccccc2OC)cc1 44845622 CYMLTHKTRPACSE-UHFFFAOYSA-N 300.358 3.416 0 40 DGAB COCCCNC(=O)c1ccc(SCc2cscn2)cc1 44906664 YKIKJZQHORAZBP-UHFFFAOYSA-N 322.455 3.202 0 40 DGAB CCOCCOCc1cccc(NC(=O)NC2CCCC2)c1 47604237 OJGYBNYXLZGBQV-UHFFFAOYSA-N 306.406 3.304 0 40 DGAB Cc1cnc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)cn1 48332567 YEECPCCSKOLSIP-UHFFFAOYSA-N 313.376 3.166 0 40 DGAB CC(C)N1CCC(NC(=O)c2sccc2-n2cccc2)CC1 48374166 ASTPBTHYQTWWKL-UHFFFAOYSA-N 317.458 3.141 0 40 DGAB O=C(Nc1ccccc1)c1c[nH]nc1-c1ccc2c(c1)OCCO2 54584903 UHDPROCSMSBHTD-UHFFFAOYSA-N 321.336 3.100 0 40 DGAB O=C(c1cnc(-c2ccccc2)s1)N1CCO[C@@H]2CCC[C@H]21 56193367 XHIYSOMDVXOHIP-ZIAGYGMSSA-N 314.410 3.204 0 40 DGAB O=C(c1[nH]c2ccccc2c1Cl)N1CCO[C@@H]2CCC[C@@H]21 56197615 PODCEFSCBAMOTK-QWHCGFSZSA-N 304.777 3.215 0 40 DGAB CCCNC(=O)[C@@H](C)SCc1cc(Cl)c2c(c1)OCO2 58016076 AITGLARYWUQCJV-SECBINFHSA-N 315.822 3.217 0 40 DGAB Cc1ccccc1CN1CCN(c2nc3cccnc3s2)CC1 58327667 NNVYVMQGPQLAFG-UHFFFAOYSA-N 324.453 3.322 0 40 DGAB CCc1nc(NC(=O)[C@@H](C)c2c(C)nn(C)c2C)sc1C 58332846 ZMHQACKRLOLBMX-QMMMGPOBSA-N 306.435 3.106 0 40 DGAB CC(C)CC[C@H]1CCC[C@@H]1Nc1nn2c(=O)ccnc2s1 58432529 SOIWRYFGSKKSDM-NEPJUHHUSA-N 306.435 3.168 0 40 DGAB COC(=O)c1ccc(C)c(OCc2nc(-c3ccco3)no2)c1 59011417 NBUGSZFTXZMSDW-UHFFFAOYSA-N 314.297 3.004 0 40 DGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NC(=O)c1ccoc1 59250634 PMQAERDIHZIIHT-UHFFFAOYSA-N 321.398 3.004 0 40 DGAB CCCCCN(Cc1nc(O)c2cnn(C)c2n1)[C@@H](C)CCC 65412869 AGTFUBGOMQOLIJ-ZDUSSCGKSA-N 319.453 3.250 0 40 DGAB Cc1ncsc1C(=O)N(C)c1ccccc1C(=O)OC(C)C 65530626 JXFBOIGBVGWKMN-UHFFFAOYSA-N 318.398 3.293 0 40 DGAB CN(CC(=O)Nc1nccs1)Cc1ccc2ccccc2c1 65578422 ZYWXLQWAQZRFEM-UHFFFAOYSA-N 311.410 3.367 0 40 DGAB CNC(=O)c1ccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)cc1 65594865 KOMYVXFZFMHZCR-NSHDSACASA-N 315.373 3.139 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2cccc(F)c2N)CC1 67800809 LOHHZJUBVIRTFJ-UHFFFAOYSA-N 310.369 3.186 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2-c2nncn2C)c(C)c1 68727163 NMEQXCKUTUMEOA-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB CC(C)n1nccc1NC(=O)Cc1cccc(Br)c1 69529879 VIGQSGDQPXZNKZ-UHFFFAOYSA-N 322.206 3.408 0 40 DGAB CCN(Cc1ccoc1)C(=O)NCc1ccccc1-n1cccn1 69812310 UZMOJHPVOUXDHO-UHFFFAOYSA-N 324.384 3.197 0 40 DGAB O=C(c1ccc(-c2ccc(F)cc2)cc1F)N1CCC[C@H](O)C1 71879489 NELBEQNKNHWPFU-HNNXBMFYSA-N 317.335 3.229 0 40 DGAB CCOC1CCN(C(=O)N[C@H](Cc2ccccc2)C2CC2)CC1 71914998 LLEMPZUHHZZLON-GOSISDBHSA-N 316.445 3.218 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]([C@H](N)c2ccccc2)COC1(C)C 72208808 OEXNURJONFKAOX-UONOGXRCSA-N 306.406 3.058 0 40 DGAB C[C@H](CCc1ccccc1)CC(=O)NC[C@@H]1CCCN(C)C1 72273289 JUQJOOCKDTUXNX-AEFFLSMTSA-N 302.462 3.103 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 72282205 RXDJFJWBAJYECQ-NSHDSACASA-N 305.403 3.022 0 40 DGAB Cc1cccnc1[C@H](NC(=O)[C@@H]1Cc2ccccc2O1)C(C)C 72285458 FVFZQZJWNUPJGE-DLBZAZTESA-N 310.397 3.207 0 40 DGAB CC(C)c1nc([C@H]2CCCN2C(=O)Cc2cccs2)no1 72299426 KJHDBLIKFMHNHJ-GFCCVEGCSA-N 305.403 3.161 0 40 DGAB CC(C)CCN1CCC(CNC(=O)c2cc(F)cc(F)c2)CC1 75106155 KRAKIZUZIMKULP-UHFFFAOYSA-N 324.415 3.453 0 40 DGAB CCc1cccc(N(C#N)CC(=O)Nc2ccc(F)c(F)c2)c1 75107673 MLTDGWSVKZUKSL-UHFFFAOYSA-N 315.323 3.453 0 40 DGAB O=C(C[C@@H]1CCOc2ccccc21)Nc1c(O)cccc1F 76083490 QPJAJNKEFMHRQN-NSHDSACASA-N 301.317 3.426 0 40 DGAB OCc1cc2ccccc2nc1N1CCO[C@H](c2ccccc2)C1 77910490 DOVYKQFHPIPWPH-IBGZPJMESA-N 320.392 3.305 0 40 DGAB CN(C)CCN(Cc1cccs1)C(=O)c1ccncc1Cl 83851096 DIQMPKGAESNRSC-UHFFFAOYSA-N 323.849 3.001 0 40 DGAB O=C(NCc1cccc2c1OCCCO2)c1ccccc1Cl 89811882 PRVYGJVDJWCDIA-UHFFFAOYSA-N 317.772 3.431 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@@H]2CCSc3ccccc32)C1 95423784 GZXSMGXMEQWMOD-DZGCQCFKSA-N 304.459 3.070 0 40 DGAB Cc1noc(CN[C@@H](CC(F)(F)F)c2ccc(F)cc2)n1 95984550 XFZLJUOHPVAMJT-NSHDSACASA-N 303.259 3.300 0 40 DGAB c1csc(CN2Cc3nccn3C[C@H](COCC3CC3)C2)c1 96187876 STXIPLQUPWLERZ-OAHLLOKOSA-N 317.458 3.003 0 40 DGAB CCc1nc(C)sc1C(=O)N1CCO[C@H](c2ccccc2)C1 96223964 ZZYYGJQRAGANEV-HNNXBMFYSA-N 316.426 3.228 0 40 DGAB Cn1cc(NC(=O)Nc2cc(F)ccc2N2CCCCC2)cn1 96403458 XJWLIGOLEHMYJC-UHFFFAOYSA-N 317.368 3.194 0 40 DGAB O=C(OCc1nccn1CC(F)(F)F)c1cccc2cc[nH]c12 96441939 WQYWCMHPIHNGCE-UHFFFAOYSA-N 323.274 3.284 0 40 DGAB CN1CCC[C@@H]1CCSc1nnc(Cc2cccs2)n1C 96485290 XHOBQOFRNRUNEE-GFCCVEGCSA-N 322.503 3.044 0 40 DGAB c1ccc(N2CCC(Nc3ccc(-n4ccnc4)cc3)CC2)nc1 97037186 CAPLUHJYIURQNR-UHFFFAOYSA-N 319.412 3.348 0 40 DGAB Cc1nnc(CN(C)Cc2ccc(Oc3ccccc3)o2)n1C 97057355 UNKXYWFYJWYTCS-UHFFFAOYSA-N 312.373 3.141 0 40 DGAB O=C(Nc1ccc(F)cc1)NC1C[C@@H]2CCC[C@@H](C1)N2C1CC1 100423963 HSYBLSGBTZSSRH-IRXDYDNUSA-N 317.408 3.495 0 40 DGAB CC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(F)cc2)c1 100959268 DHCQAUQQNPCNKV-KTKRTIGZSA-N 323.331 3.087 0 40 DGAB FC(F)(F)[C@@H]1CCC[C@@H](NCc2nnc3n2CCCCC3)C1 129186665 SSEJVMFFPXUXBF-VXGBXAGGSA-N 316.371 3.215 0 40 DGAB Cc1c(C(=O)NCCCCCC(=O)O)oc2c(C)cccc12 195541926 NQWANZFKMZZIFY-UHFFFAOYSA-N 303.358 3.424 0 40 DGAB COc1ccc(C(=O)NCCCN2CCCCCC2)cc1Cl 223128225 DHWPTTPXUVFSBP-UHFFFAOYSA-N 324.852 3.345 0 40 DGAB Cc1ccc(N(C)CCNC(=S)Nc2cccc(C)n2)cc1 225796906 MLORDXJMRWVBLG-UHFFFAOYSA-N 314.458 3.121 0 40 DGAB CCCNC(=S)Nc1nc(C)cc(Oc2ccccc2)n1 225886826 QEHPCAWLCGQMOJ-UHFFFAOYSA-N 302.403 3.274 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 253617228 CWGZMGDCCGJNKL-OOBKWSLZSA-N 304.430 3.282 0 40 DGAB Cc1ccc(NC(=O)c2cn(C)c3ccccc3c2=O)cc1C 408713437 YRVYFKJFMSHLMJ-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB Cc1c[nH]cc1C(=O)N1CCC(Cc2nc3ccccc3[nH]2)CC1 582414884 YJFRRLZHZHOLGF-UHFFFAOYSA-N 322.412 3.294 0 40 DGAB CSC[C@@H](C)C(=O)N[C@H](C)c1nc2ccc(Cl)cc2[nH]1 584906842 SWKCPPMECYFXSE-RKDXNWHRSA-N 311.838 3.393 0 40 DGAB O=C(N[C@H]1CC[C@@H](CO)CC1)[C@@H](c1ccncc1)C1CCCC1 585131957 KPXKENQYKZYLLI-FHLIZLRMSA-N 316.445 3.023 0 40 DGAB Cc1nccc(N2CCC(COc3ccncc3Cl)CC2)n1 1889092516 ZSSBKENPYDUUMR-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2cccc(C(F)(F)F)n2)C1 1889098106 PEHNTUINXMAXKD-GFCCVEGCSA-N 323.318 3.462 0 40 DGAB COC(=O)c1cc(Cl)nc2ccc(Br)cc12 162937 BAYLVXXTALAJMT-UHFFFAOYSA-N 300.539 3.437 0 40 DGAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)cc1OC 484235 JDAZWUZCXQRESL-UHFFFAOYSA-N 311.381 3.374 0 40 DGAB CCc1ccccc1NC(=O)N1CCC[C@@H]1C(=O)NC(C)(C)C 1343112 UMHHIPHWCXSQNE-OAHLLOKOSA-N 317.433 3.160 0 40 DGAB Cc1cc(NC(=O)c2ccccc2)ncc1NC(=O)c1ccco1 1352827 PSGUXMFCFIJKII-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@H]2CCCC[C@H]2C)ccc1F 4744954 RLRNIGHOFPEVMO-RISCZKNCSA-N 315.410 3.081 0 40 DGAB COc1ccc2oc(=O)c(C(=O)NC(C)(C)C(C)(C)C)cc2c1 4745107 XVLSUSHTCGBBJB-UHFFFAOYSA-N 317.385 3.356 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3ccc4c(c3)OCO4)CC[C@@]1(C)C(=O)C2 4867601 LSXIRUGCQWDCTN-ZWKOTPCHSA-N 315.369 3.139 0 40 DGAB COc1cccc(N2CCN(C(=O)c3ccc(C)cc3C)CC2)c1 5420698 QNANMMRFIASDFJ-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)NCCCc1ccccc1 5451965 OSFKRYBTWIHYDF-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 5465782 NSDAHWMIPQUMPQ-CQSZACIVSA-N 301.361 3.260 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)Nc1cccc(F)c1 5560157 FALURKSCIVIEJC-UHFFFAOYSA-N 320.751 3.238 0 40 DGAB Cc1ccc(C(=O)COC(=O)CSc2ccccn2)c(C)c1 5587819 RIRDCAIZXLHVQE-UHFFFAOYSA-N 315.394 3.217 0 40 DGAB O=C(COC(=O)c1ccccc1O)Nc1cccc2ccccc12 5785195 IHZWBMCEAAEILC-UHFFFAOYSA-N 321.332 3.341 0 40 DGAB COc1ccc2oc(=O)c(-c3n[nH]c(-c4ccccc4)n3)cc2c1 5911261 ZVNHWGUPSPGNBO-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB CCc1nc(C)cn1S(=O)(=O)c1c(C)c(C)cc(C)c1C 7425093 ZMPVGXWDBGCQAZ-UHFFFAOYSA-N 306.431 3.225 0 40 DGAB O=C(COC(=O)/C=C/c1cccs1)Nc1ccc(F)cc1 7554526 ZYMLDTXZGJPKTD-BQYQJAHWSA-N 305.330 3.082 0 40 DGAB CCn1nnc2cc(C(=O)Nc3nc4ccccc4s3)ccc21 7767382 CMFRKPPSHDHZSL-UHFFFAOYSA-N 323.381 3.313 0 40 DGAB O=C(O)c1ccc(CNc2ccc(Br)cc2F)o1 8729672 KROZSXARIATXJI-UHFFFAOYSA-N 314.110 3.492 0 40 DGAB COc1ccc(CCNC(=O)c2ccc3cc[nH]c3c2)cc1OC 9306357 ZUQADJFOAZMZGK-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB COc1cccc(C(=O)OCc2cc(-c3ccco3)on2)c1O 9448320 HFMIDOSCSCLKMC-UHFFFAOYSA-N 315.281 3.006 0 40 DGAB Cc1nc(C)c(C(=O)OCc2nc(-c3ccccc3)no2)s1 10144092 SPQDOOFLTGCAQP-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB O=C(CCNC(=O)c1ccsc1)Nc1ccc(Cl)cc1 12944847 XRCDBCSTBKRQPL-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB Cc1cc(OC(=O)CCC(C)C)n(-c2nc3ccccc3[nH]2)n1 13639510 BMDMWTRNMJJIAX-UHFFFAOYSA-N 312.373 3.399 0 40 DGAB C[C@H](NCC(=O)Nc1ccnn1C1CCCC1)c1cccs1 14186156 BXEHHBAUTBKSQE-LBPRGKRZSA-N 318.446 3.349 0 40 DGAB Cc1ccc(-c2noc(CSc3ncccn3)n2)cc1F 14199406 YDYGRVXBJAZNHU-UHFFFAOYSA-N 302.334 3.266 0 40 DGAB Cn1ncc2c(NCC3(c4ccccc4)CCCC3)ncnc21 14300389 CNIOANCKGCABBG-UHFFFAOYSA-N 307.401 3.287 0 40 DGAB CCOc1ccc(-n2c3c(c(SCC)nc2=O)CCC3)cc1 15840504 WXSGXAAGHLEVOD-UHFFFAOYSA-N 316.426 3.232 0 40 DGAB Cc1ccccc1N1C[C@@](O)(c2cccs2)[N+]2=C1CCCC2 15962232 SCHHEGRCDHMWSB-GOSISDBHSA-N 313.446 3.317 0 40 DGAB O=C(NCc1ccc(CN2CCCCC2)cc1)C1CCCC1 21637648 ZPALLDILPXSFRL-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB CCc1ccccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236233 FAMKZYICSNWYEW-UHFFFAOYSA-N 324.355 3.492 0 40 DGAB C[C@@H]1CN(C(=O)c2cccnc2Oc2ccccc2)C[C@@H](C)O1 27339578 MRKDCUYFLDYVQM-ZIAGYGMSSA-N 312.369 3.123 0 40 DGAB COc1ccc(CN(C)C(=O)CCc2nc3ccccc3[nH]2)cc1 27799504 BXBKMLKWNQGTSV-UHFFFAOYSA-N 323.396 3.163 0 40 DGAB COC(=O)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl 31377169 UCVKCKNZKUCYJG-DOMZBBRYSA-N 321.804 3.417 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1F 32585638 UMPHQOPGVXMKOE-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CC(C)(C)c1nc2cc(NC(=O)c3ccc[nH]c3=O)ccc2o1 32830439 JIFOTLYBOIPTHF-UHFFFAOYSA-N 311.341 3.066 0 40 DGAB Cc1cccc(C(=O)NCC(C)C)c1NC(=O)c1ccco1 32907874 CXJDCOKKFMQUST-UHFFFAOYSA-N 300.358 3.226 0 40 DGAB CC1CCN([C@H](CNC(=O)C2CCC2)c2cccs2)CC1 36310342 KQHLYRCEVGXEOX-OAHLLOKOSA-N 306.475 3.437 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 36635467 GDSVYESFMBJGLS-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB O=C1C[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1Cl 36635778 DAVPWFHJYNQWSJ-CYBMUJFWSA-N 318.735 3.223 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cc(=O)c2ccccc2o1 40457502 GCQSVQZGEDWMBP-GFCCVEGCSA-N 305.333 3.384 0 40 DGAB Cn1cc(CCNC(=O)c2sc3ccccc3c2Cl)cn1 42717000 WJFRIKHDRFYUKY-UHFFFAOYSA-N 319.817 3.261 0 40 DGAB O=c1[nH]c2c(Br)cc(Br)cc2s1 43220510 IJVHJQMZZVRGQU-UHFFFAOYSA-N 308.982 3.115 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N(C)Cc2cc(C)on2)cc1F 44967110 FILGOLJDCLJLGQ-LLVKDONJSA-N 321.352 3.033 0 40 DGAB Cc1c(C(=O)NCc2cccc(F)c2)cnn1-c1ccccc1 45362331 BSKIBUPRZBLAKP-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB COc1ccc(C(=O)NCCSC2CCCC2)cc1OC 46450283 UMIPVLVBRVWVNO-UHFFFAOYSA-N 309.431 3.109 0 40 DGAB Cc1nccn1CCNC(=O)Nc1cccc(C(F)(F)F)c1 49461279 FTCUIDMADOGLFH-UHFFFAOYSA-N 312.295 3.032 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCc1cc(F)cc(F)c1 58329358 AYRLBCIDEZDJHC-UHFFFAOYSA-N 308.328 3.357 0 40 DGAB CC(C)[C@@H](C(=O)NCC1CC1)n1cnc2cc(F)c(F)cc21 61375611 SYFSBLVVAQNRSF-HNNXBMFYSA-N 307.344 3.038 0 40 DGAB COc1ccc(CC[C@@H](C)NC(=O)N(C)Cc2ccco2)cc1 65620972 RBLGYBVGRPJSOD-CQSZACIVSA-N 316.401 3.451 0 40 DGAB O=C(CCc1ccccc1OC(F)(F)F)NCc1cccnc1 66266997 ZITOJHMKVJGNRI-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB COc1ccccc1C[C@H]1CCCN([C@H](C)c2nc(C)no2)C1 66894248 PXBJNJGZVVPXNB-UKRRQHHQSA-N 315.417 3.402 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1NC(=O)Cc1noc2ccccc12 69773236 OZCFZXDDAJOTLO-HUUCEWRRSA-N 322.364 3.051 0 40 DGAB COCC(=O)Nc1ccc(Cl)cc1-c1nc2ccccc2[nH]1 69896464 QKPWWODFZJOFRK-UHFFFAOYSA-N 315.760 3.468 0 40 DGAB CCCOc1ccc(S(=O)(=O)NCc2cc(C)oc2C)cc1 70640439 ORSCGZFGPRIFNA-UHFFFAOYSA-N 323.414 3.164 0 40 DGAB COc1ccccc1N1CCC(NCc2cccc(O)c2)CC1 71850034 LFLWUESHFUZXAQ-UHFFFAOYSA-N 312.413 3.159 0 40 DGAB C[C@@H](c1nccs1)N1CCN(C(=O)OC(C)(C)C)C[C@H]1C 72203938 SEXLBIWUBJNGCC-NEPJUHHUSA-N 311.451 3.145 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccc(-c3ccco3)o2)c1 72243268 PWDLRBNBQLZLPT-UHFFFAOYSA-N 310.309 3.152 0 40 DGAB Cc1ccsc1C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C1CC1 72294793 DDWHLCHZCWGBSO-LBPRGKRZSA-N 324.446 3.090 0 40 DGAB c1cncc(CN2CCC(c3cccc(-n4ccnc4)n3)CC2)c1 72379069 JLQDSFAYWYQBQN-UHFFFAOYSA-N 319.412 3.042 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)N[C@H]1CCc2ccc(F)cc21 73059701 FSIBQVJSWKUDFL-PSLIRLAXSA-N 317.364 3.478 0 40 DGAB O=C(c1cccc2[nH]ccc12)N1CCN(c2ccccc2)CC1 74715521 CLTLUZUDDIITQF-UHFFFAOYSA-N 305.381 3.130 0 40 DGAB CC(C)Sc1ccc(CC(=O)N[C@@H]2CCC[C@H](O)C2)cc1 75156781 ZEBMYBXNCGBZTH-CABCVRRESA-N 307.459 3.149 0 40 DGAB CC1(NC(=O)OC(C)(C)C)CCN(C(=O)OC(C)(C)C)CC1 82046826 QJFMFAYEKZUIHM-UHFFFAOYSA-N 314.426 3.301 0 40 DGAB Cc1cc(CN(Cc2ccccc2)C[C@@H](O)c2ccco2)on1 84135206 KPOGLBXULFQINA-QGZVFWFLSA-N 312.369 3.312 0 40 DGAB Cc1ccccc1[C@@H]1CCN(C(=O)NCCc2ccccn2)C1 84235522 KBPVDQWQEOLERQ-MRXNPFEDSA-N 309.413 3.132 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@](C)(CO)C2CC2)c1 84656162 GDUMKCXAJJOTPD-BDJLRTHQSA-N 308.447 3.393 0 40 DGAB O=C(NCc1ccsc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 89794401 UXYWUWOZARSOAI-ZIAGYGMSSA-N 320.414 3.139 0 40 DGAB O=[S@@](Cc1cnn(-c2ccccc2)c1)c1ccc(F)c(F)c1 89857586 MEJUUDBCUSEFOH-JOCHJYFZSA-N 318.348 3.458 0 40 DGAB CC(C)n1cc(NC(=O)N2CCO[C@@H](c3cccs3)C2)cn1 89894042 NKDTYMXNQOEUEX-CYBMUJFWSA-N 320.418 3.131 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCc2c([nH]c3ccccc23)C1 89915065 FZOKNAXREHOTIH-UHFFFAOYSA-N 323.396 3.290 0 40 DGAB biogenic NC(=O)C[C@@H]1CCCN(Cc2cccc(OC3CCCC3)c2)C1 93808581 WCZMAMGDVRGVNP-INIZCTEOSA-N 316.445 3.095 0 40 DGAB COc1ccc(CSc2cccs2)cc1S(C)(=O)=O 95398116 LJHHQYFXJDZYEK-UHFFFAOYSA-N 314.453 3.453 0 40 DGAB CCOC(=O)CCCCN1CCC[C@H](c2ncc(C)s2)C1 95399814 YXTIIJNRCJDGGO-AWEZNQCLSA-N 310.463 3.364 0 40 DGAB COc1ccc([C@@H](O)CN[C@@H]2CCc3ccc(F)cc32)cc1 95419747 NXBGJBMPCOUXPW-MSOLQXFVSA-N 301.361 3.145 0 40 DGAB FC(F)C(F)(F)COc1ccc(NCc2cscn2)cn1 95436184 KGCHOZURENYVQM-UHFFFAOYSA-N 321.299 3.429 0 40 DGAB C[C@H](NS(=O)(=O)Cc1ccc(F)c(Cl)c1)c1ccoc1 95439822 CDFMZFVGGDATEN-VIFPVBQESA-N 317.769 3.253 0 40 DGAB CSC[C@@H](C)N(C)C(=O)Cc1nc(-c2ccccc2)oc1C 95960437 LXTGZXIRNDGVIV-GFCCVEGCSA-N 318.442 3.402 0 40 DGAB CSc1ccc(CNC(=O)N[C@@H](C)C2CCOCC2)cc1C 95966521 SMAXRAQJARXMLU-ZDUSSCGKSA-N 322.474 3.331 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC=C(F)C2)cc1C(F)(F)F 95996962 UPSJZHSJMJFJJE-UHFFFAOYSA-N 323.311 3.262 0 40 DGAB Fc1cccc(N[C@H]2CO[C@]3(CCN(Cc4ccco4)C3)C2)c1 96047572 RUBPDDZDTSPLSD-SJLPKXTDSA-N 316.376 3.264 0 40 DGAB CCN1C[C@H]2CCC[C@@H](C1)C2CC(=O)NCc1cccs1 96252231 GRROGTSHTFHEIL-MZBDJJRSSA-N 306.475 3.122 0 40 DGAB CO[C@H](CNC(=O)c1ccc(F)cc1F)c1cccc(F)c1 96388014 ZXBRHKZGQJTABD-OAHLLOKOSA-N 309.287 3.221 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)N(C)Cc3cnccn3)c2)o1 96410651 GANHVKBPMIUPPX-UHFFFAOYSA-N 323.356 3.104 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)OCC[C@@H]2CCCO2)cc1 96453088 HBRDKEUXYBDBJS-AWEZNQCLSA-N 301.342 3.376 0 40 DGAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccncc1)c1cccs1 96485792 YCULEZYIIXCERM-QWHCGFSZSA-N 303.431 3.013 0 40 DGAB C[C@@H](Cn1cc(Br)cn1)Nc1ccc2c(c1)COC2 97038481 STNOHYXVTNRLNO-JTQLQIEISA-N 322.206 3.176 0 40 DGAB COc1ccc(C2=NN(C(C)=O)[C@H](c3ccccc3)C2)cc1O 97105823 HMGWRFNBJAEAGM-INIZCTEOSA-N 310.353 3.098 0 40 DGAB Cc1nc2ncc(C(=O)N3CCc4cc(F)ccc4[C@@H]3C)cc2[nH]1 97373379 DYJGJSCXFYIBAD-JTQLQIEISA-N 324.359 3.165 0 40 DGAB O=C(NCCc1ccccn1)Nc1cc(Cl)cc2c1OCC2 97380022 KSXOSBKBZKIYBL-UHFFFAOYSA-N 317.776 3.034 0 40 DGAB O=C(O)[C@H]1[C@H]2C=C[C@@H](C2)[C@H]1C(=O)Nc1cccc2ccccc12 100023056 MFZAXXIWMFKGSC-CLROSIBMSA-N 307.349 3.301 0 40 DGAB COc1cccc(/C=C2\N=C(S)N(c3ccccc3)C2=O)c1 100370002 MWWTVXPXKVNFDK-PTNGSMBKSA-N 310.378 3.369 0 40 DGAB CCN1CCN(C(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)CC1 101437917 FPKIVQBNPXQCGW-FTJRRQOFSA-N 304.478 3.147 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccccc1C(F)(F)F 104599180 KMFAYJKAFNPNGE-WTTBSCSTSA-N 307.271 3.017 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)Cc2cccs2)cc1 222959196 UZSVDICOXFXULS-UHFFFAOYSA-N 303.383 3.035 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)NCC1=CCCCC1 223828260 HQPTURDCNIFSRN-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB COCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cc1 225636906 PIEJPPRDVWPXEM-KDOFPFPSSA-N 321.417 3.246 0 40 DGAB CO[C@H](CNC(=O)N(C)Cc1ccc(C)o1)c1ccc(F)cc1 225789596 UEPVMOQINXGLQH-MRXNPFEDSA-N 320.364 3.256 0 40 DGAB O=C1CC2(CCN(Cc3ccccc3)CC2)Oc2cc(O)ccc21 225819164 XRHQJDBNIGOJBG-UHFFFAOYSA-N 323.392 3.392 0 40 DGAB COc1cccc(N(C)C(=O)c2cnn(Cc3ccccc3)c2)c1 225889119 YMVZRNLPQHHJHR-UHFFFAOYSA-N 321.380 3.217 0 40 DGAB C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)CSCc1ccncc1 252477109 IIEOBFKLIPMLLK-VNQPRFMTSA-N 304.459 3.494 0 40 DGAB CO[C@H]1CC[C@H](NC(=O)CC(C)(C)CC(=O)c2ccccc2)C1 252481965 CWBPHLOSHVHIKZ-HOTGVXAUSA-N 317.429 3.359 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257261361 LGZZXPXGRBTSHY-SFHVURJKSA-N 321.424 3.294 0 40 DGAB COc1ccccc1Cc1ccc(C(=O)N(C)C2CCC2)cn1 257278098 OAUFEVDERKSZHE-UHFFFAOYSA-N 310.397 3.306 0 40 DGAB CCc1ccc(C(=O)N2CCC3(CC2)OCCC[C@@H]3OC)cc1 257314911 UZDCPXJTJXMGRQ-KRWDZBQOSA-N 317.429 3.049 0 40 DGAB CC(C)(C[C@H]1CCCN(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)C1)C(=N)O 333447460 XURZTWSDUOZUCV-YIYPIFLZSA-N 307.438 3.158 0 40 DGAB COc1ccc(F)cc1CC(=O)N[C@H](c1cccnc1)C1CC1 548164429 PNQQRIWYKVXQCO-SFHVURJKSA-N 314.360 3.039 0 40 DGAB CCc1nc2c(s1)[C@@H](N(C)CC1(CC(=O)O)CC1)CCC2 569611014 BEDPEZNLMGFFKC-LBPRGKRZSA-N 308.447 3.270 0 40 DGAB Cc1csc(CN(CC(=O)O)Cc2ccc(Cl)cc2)n1 570286097 CBURKKUACINVFS-UHFFFAOYSA-N 310.806 3.192 0 40 DGAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(-c2cccs2)o1 575608012 HNUYDYPWBXLJSV-UHFFFAOYSA-N 315.398 3.288 0 40 DGAB O=C(Cc1ccsc1)NCc1nccnc1-c1ccsc1 575620127 QTSHYNUKOGRICD-UHFFFAOYSA-N 315.423 3.126 0 40 DGAB c1cncc(CN2CCC[C@@H](Cn3cnc4ccccc43)C2)c1 584908739 VAKGYBDRWGFITD-QGZVFWFLSA-N 306.413 3.344 0 40 DGAB Brc1ccsc1-c1noc([C@@H]2CCCOC2)n1 585120396 LHWBPKUQTFZNLR-SSDOTTSWSA-N 315.192 3.455 0 40 DGAB COc1ccc(NC(=O)/C=C(\C)c2cnccn2)c2cccnc12 1528080426 GIAFXINSHUGJFC-ZRDIBKRKSA-N 320.352 3.075 0 40 DGAB CCCCCn1ccn2nc(-c3cccc(OC)c3)cc2c1=O 1888989100 QZMPZXMIWUFUMM-UHFFFAOYSA-N 311.385 3.362 0 40 DGAB O=C(NCCc1ccc(-c2cccs2)s1)[C@@H]1CCOC1 1889109024 XFJILLXDGKBPMZ-LLVKDONJSA-N 307.440 3.172 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)c1cccnc1Cl 165066 FGEAYHDTYPGULJ-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB CC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccco2)cc1 346487 WHBBJVDCIMXIAD-CMDGGOBGSA-N 314.366 3.009 0 40 DGAB Cc1cccc(NC(=O)Cn2c(C)cc(=O)c3ccccc32)c1 547955 VAMRGOZHCXDVOJ-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COc1cc(CNC(=O)c2nccc3ccccc23)cc(OC)c1 1337730 ITEDTDDXBWUJBN-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccc(CN2CC=CC2)cc1 2514932 HWNSYQUZPUPKQM-UHFFFAOYSA-N 315.413 3.365 0 40 DGAB COC(=O)C1=CN(Cc2ccccc2)C(=O)C[C@@H]1c1ccccc1 3846698 NSBRCANCSCDLCJ-QGZVFWFLSA-N 321.376 3.260 0 40 DGAB biogenic C[C@@H]1CN1C(=O)Nc1cccc2c(NC(=O)N3C[C@H]3C)cccc12 4720980 NYKKLLVRAIGAAC-XPBUCUANSA-N 324.384 3.312 0 40 DGAB COc1cc(C(=S)NC2CCCCC2)cc(OC)c1OC 4723692 SDYWJATXVZYGQL-UHFFFAOYSA-N 309.431 3.310 0 40 DGAB COc1ccc(CNC(=O)c2cc3sccc3n2C)cc1 4971171 OPIFBUAGRWDPHQ-UHFFFAOYSA-N 300.383 3.178 0 40 DGAB CCc1ccc(C(=O)N2CCN(c3ccccc3OC)CC2)cc1 5094218 CDHALQQYRZVZKR-UHFFFAOYSA-N 324.424 3.220 0 40 DGAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cccc(Cl)c1 5663087 RNPFVYSGAFTESZ-INIZCTEOSA-N 316.788 3.026 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCc2cccc(Cl)c2)c1 5698316 FBORBZYPQSXMDG-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB COc1ccc(C2=Nn3c(nnc3-c3ccccc3)SC2)cc1 6405260 KMONSPLGEKKDAH-UHFFFAOYSA-N 322.393 3.312 0 40 DGAB Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1C 6503771 BJICGNVCCYBCAT-LJQANCHMSA-N 311.425 3.101 0 40 DGAB Cc1cccc(Nc2ncnc3c2c(C)c(C)n3CCO)c1C 6660358 HFKBFOOFHGXULN-UHFFFAOYSA-N 310.401 3.401 0 40 DGAB CC(C)=CC(=O)O[C@H](C)C(=O)Nc1ncc(Cl)cc1Cl 7651536 BZBYVYSAAIMWGI-MRVPVSSYSA-N 317.172 3.225 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1ccsc1 7718803 YSZNPXDODKWFCP-UHFFFAOYSA-N 317.410 3.111 0 40 DGAB COc1cccc([C@H]2NC(=O)c3ccccc3N2)c1OC(F)F 9466339 NRMHHKWEQOZEFS-CQSZACIVSA-N 320.295 3.151 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 9478456 ARHYUPXSRXVECX-MEDUHNTESA-N 301.317 3.301 0 40 DGAB Nc1ccccc1-c1nc(Cl)nn1Cc1ccc(F)cc1 9614883 ICNJSLXNODHTKX-UHFFFAOYSA-N 302.740 3.368 0 40 DGAB CCONC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 9725617 TWPSXZDNLNTPFN-UHFFFAOYSA-N 301.371 3.077 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)c1 9828060 NWEIWBHUGHMUQC-UHFFFAOYSA-N 324.380 3.020 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccc(NC(=O)C2CC2)cc1 10925239 FQJRSEMEONELGB-UHFFFAOYSA-N 312.344 3.355 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1 12599433 SMJLRKKQPDCJMZ-BETUJISGSA-N 323.820 3.215 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)Cc3ccccc3Cl)cc12 12809126 YNZFWMLCEROFII-UHFFFAOYSA-N 314.776 3.111 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(F)cc1F 12889196 JKLKONUIWJPDDR-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB NC(=O)c1cc(Cl)ccc1OCCCOc1ccc(F)cc1 12947579 GAWYFJIIMVBPIR-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB C[C@H]1COC[C@@H](C)N1c1nn2cc(-c3ccccc3)nc2s1 13566886 UPPFUBBHKGZXNP-TXEJJXNPSA-N 314.414 3.071 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C)c1 13632797 UEZDUQRKHIQKGZ-GOSISDBHSA-N 313.397 3.477 0 40 DGAB O=C(NCc1ccco1)c1c[nH]c2ccc(Br)cc12 14136240 JIBBUJYTHOYURC-UHFFFAOYSA-N 319.158 3.453 0 40 DGAB CCOc1ccc(CC(=O)NCc2nccc3ccccc23)cc1 14384348 SQAHOTOUUPLRNF-UHFFFAOYSA-N 320.392 3.492 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)N(C)Cc2ccco2)c1 17791476 PPEVUTBBNVOUOU-UHFFFAOYSA-N 302.330 3.120 0 40 DGAB O=C(c1cc(-c2ccccn2)n[nH]1)N1CC[C@H](c2ccccc2)C1 19657056 YGAWLJBTBQEJHD-HNNXBMFYSA-N 318.380 3.101 0 40 DGAB O=C1O[C@@H](Nc2ccc(Br)cn2)c2ccccc21 20170640 RUJAXARQZZSRFQ-GFCCVEGCSA-N 305.131 3.125 0 40 DGAB CC1(C)CC(NC(=O)N2CCc3ccccc3C2)CC(C)(C)N1 26180545 QATJBBCEHNDPFU-UHFFFAOYSA-N 315.461 3.064 0 40 DGAB Cc1cc2oc(C(=O)NCc3cnn(C)c3)c(C)c2cc1Cl 27912318 GKMDAUDWLGASCH-UHFFFAOYSA-N 317.776 3.367 0 40 DGAB O=C(CCn1cc(Cl)cn1)N[C@@H]1CCCc2ccccc21 27969098 IEBDQDDZJDEVQE-OAHLLOKOSA-N 303.793 3.120 0 40 DGAB Cc1c(CCC(=O)Nc2cccc(C(F)(F)F)c2)cnn1C 32610490 JTKACZVYGVNLJE-UHFFFAOYSA-N 311.307 3.319 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)NCCOc1ccccc1 32862670 ZOVSMCTVIAQVPH-MRXNPFEDSA-N 312.413 3.386 0 40 DGAB CCn1c(SCc2ccccn2)nc2sc(C)cc2c1=O 36615190 SJAFMPPYAMFBRF-UHFFFAOYSA-N 317.439 3.474 0 40 DGAB CCOc1ncccc1C(=O)N1CCCc2cccc(OC)c21 40086889 JRFGRBPSBGJVCY-UHFFFAOYSA-N 312.369 3.082 0 40 DGAB CC(C)c1ccc(OCCOC[C@H](O)CN2CCCCC2)cc1 40373221 UOMMZFUQBUZERI-GOSISDBHSA-N 321.461 3.052 0 40 DGAB Cn1ccc(C(=O)N[C@@H](c2ccccc2)C2CCCC2)cc1=O 46689890 SKLAIHKHWOKYLY-SFHVURJKSA-N 310.397 3.047 0 40 DGAB CC(C)C(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48344927 CMLZZHMCJVUBBQ-HZPDHXFCSA-N 302.462 3.437 0 40 DGAB c1ccc2oc(NCc3ccc(Cn4cncn4)cc3)nc2c1 51505907 FLTFOYODWZLHTE-UHFFFAOYSA-N 305.341 3.080 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)NCc1ccncc1 54508458 YYJUWPCPRCRTJF-UHFFFAOYSA-N 305.765 3.455 0 40 DGAB Cc1ccc(CC(=O)N2CCC(COc3ccccc3)CC2)cn1 55426367 HBXJZZTZSDFONA-UHFFFAOYSA-N 324.424 3.250 0 40 DGAB Cc1cc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)c(C)o1 58161657 KBMAOBPOSLEVTN-CYBMUJFWSA-N 324.427 3.069 0 40 DGAB Cn1c(CNC(=O)C(C)(C)c2ccccc2)nc2ccccc21 58262286 SOKDJLGKRKAYSP-UHFFFAOYSA-N 307.397 3.167 0 40 DGAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccccc1C(F)(F)F 58296085 CPFVQKIUZAHGBO-NEPJUHHUSA-N 324.350 3.294 0 40 DGAB Cc1cc(NC(=O)N2CCCC[C@@H]2Cc2ccccc2)n(C)n1 58358151 MBDWLDVODWCDII-MRXNPFEDSA-N 312.417 3.358 0 40 DGAB CCOc1ccc(NC(=O)NCc2cc(C)no2)cc1Cl 61772464 DLKZVIXZSCLWDN-UHFFFAOYSA-N 309.753 3.357 0 40 DGAB CCn1cc(NC(=O)Cn2ccc3ccc(Cl)cc32)cn1 64718926 ZZTMIVKNXAGGOC-UHFFFAOYSA-N 302.765 3.150 0 40 DGAB CCOC(=O)[C@H](Nc1ccc(NC(C)=O)cc1)c1ccccc1 67472149 GXACLCDKNDDVSY-QGZVFWFLSA-N 312.369 3.361 0 40 DGAB O=C(Nc1cccc2ccccc12)N1CC[C@]2(CCCNC2)C1 67908875 NDDBUQGWJFZZMY-IBGZPJMESA-N 309.413 3.447 0 40 DGAB CSCc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)cc1 69493095 ZVWRWFCTRUBIDC-SJORKVTESA-N 318.486 3.248 0 40 DGAB CCNC(=O)CNC(=O)Nc1ccc(SC(C)(C)C)cc1C 71854037 XMBAUUYGPPIGBN-UHFFFAOYSA-N 323.462 3.143 0 40 DGAB CCCCN(C(=O)[C@@H](C)S(=O)(=O)C(C)C)c1ccccc1 71903312 XACOZAKQQOXZOF-CQSZACIVSA-N 311.447 3.031 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12 71916042 RHKNFMUYFLTECW-MRXNPFEDSA-N 322.339 3.085 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2ccncc2C)cc1 72219524 ZPJWBKFZPGZYAS-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@H]2CCCc3ccccc32)s1 72288196 VXUMINSGYZZQJH-ZDUSSCGKSA-N 300.383 3.404 0 40 DGAB COc1cc(C(=O)NCc2ccccc2C)nc2ccccc12 72329595 DATFVLSEYGYEFD-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB O=C(c1cscn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72346767 YERRVSYBPXIDFI-AWEZNQCLSA-N 312.398 3.387 0 40 DGAB Cc1cc(=O)c(C(=O)N[C@@H](c2cc3ccccc3o2)C2CC2)c[nH]1 73566558 ZQOAACGRJGTIRA-GOSISDBHSA-N 322.364 3.311 0 40 DGAB CCOC(=O)[C@H](C)Nc1cccc(COCc2ccco2)c1 79354861 RHNGJPAJGYRSNG-ZDUSSCGKSA-N 303.358 3.360 0 40 DGAB COc1cccc(N2CC[C@H](CNC/C=C/c3ccco3)C2)c1 83973541 QOUAMSQWIWLASA-LERPRCHQSA-N 312.413 3.418 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(CCNC3CCCCC3)C2)no1 84631061 WHEFDHKNITVRQA-OAHLLOKOSA-N 320.481 3.295 0 40 DGAB Cc1ccccc1NC(=O)CCSc1nncn1C(C)(C)C 89690537 ZKAYMAQCOPFNKL-UHFFFAOYSA-N 318.446 3.462 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccn2)C[C@H](c2ccsc2)O1 89936985 PGIFTWFAFZHRRA-WCQYABFASA-N 303.387 3.137 0 40 DGAB CCN(C)C(=O)NCc1cn(-c2ccccc2)nc1C(C)C 89960823 KKAZMCZPVWBQJI-UHFFFAOYSA-N 300.406 3.157 0 40 DGAB Cc1ncc([C@H](C)N[C@@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 90449924 OZYFYKGFYWFBJI-JSGCOSHPSA-N 322.416 3.086 0 40 DGAB O=C(NCC[C@H](O)c1ccoc1)c1ccccc1C(F)(F)F 90612920 WGBLYEQPAHUUBQ-ZDUSSCGKSA-N 313.275 3.152 0 40 DGAB CCOc1cc2c(cc1NCc1cn3cccnc3n1)O[C@@H](C)C2 95417968 YVKMMLQDRADMSJ-LBPRGKRZSA-N 324.384 3.064 0 40 DGAB CNCc1cccc(NC(=O)[C@H]2C[C@@H]2c2ccc(F)c(F)c2)c1 95427854 JLHGIQTYOUNHNM-CABCVRRESA-N 316.351 3.426 0 40 DGAB Cc1cnc([C@H](N[C@H]2CCN(CC(F)(F)F)C2)C2CC2)s1 95968581 NJTXZEDNFPRIPT-NWDGAFQWSA-N 319.396 3.129 0 40 DGAB O=C(/C=C/c1cccnc1)N1CC[C@H](COCc2ccccc2)C1 96426034 KXVVKCNZAODAMZ-SGQUHAKNSA-N 322.408 3.160 0 40 DGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C\c1cccs1)CC3 96792789 ZCFDVANFOPABEH-NTMALXAHSA-N 324.361 3.101 0 40 DGAB Cc1ccc([S@](=O)Cc2ncc(Cl)cc2Cl)nc1 97094862 POHMBNYBEOYIDG-SFHVURJKSA-N 301.198 3.400 0 40 DGAB Cc1nscc1C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 97237523 XPOJGBXBDFLKKC-HZPDHXFCSA-N 316.426 3.319 0 40 DGAB O=C(Nc1ncn(C2CCCCC2)n1)c1ccncc1Cl 97372570 RZCUXEOJPNXMIO-UHFFFAOYSA-N 305.769 3.084 0 40 DGAB C[C@H](NCCn1c(=O)oc2cccnc21)c1cc2ccccc2o1 97374207 PTUWYNLSVOCCJS-LBPRGKRZSA-N 323.352 3.087 0 40 DGAB Clc1ccc(Br)cc1C1=N[C@@H]2C=NN=C2S1 100012020 MXRWFICBGFWQOO-MRVPVSSYSA-N 314.595 3.362 0 40 DGAB Cn1c(-c2ccc(O)cc2O)cs/c1=N\c1cccc(O)c1 101714063 VMHBREYNOOWMQI-MSUUIHNZSA-N 314.366 3.103 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)s1 104811766 ILKHTYLXMMANEQ-BQUFFADESA-N 306.431 3.261 0 40 DGAB C[C@@H]1CN(C)CCN1[C@H](C)c1nnc(-c2cccc(Cl)c2)o1 107580752 FWOZSCZVIKOMRB-VXGBXAGGSA-N 320.824 3.087 0 40 DGAB C[C@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 157127670 FUGNQFUPHMWKLQ-DZGCQCFKSA-N 304.434 3.135 0 40 DGAB CCOc1cc2c(cc1CN[C@@H](C)c1cn[nH]c1C)O[C@H](C)C2 180014005 HDMWDCPXDLVJGG-NEPJUHHUSA-N 315.417 3.291 0 40 DGAB Cc1cc(OCC(=O)NCc2ccccc2)c2ccccc2n1 192193438 QPCPZFMRQGQVJI-UHFFFAOYSA-N 306.365 3.238 0 40 DGAB c1cc(COC2CCOCC2)ccc1CN[C@@H]1CCCSC1 195558707 PSBSVIOEXOWNIZ-QGZVFWFLSA-N 321.486 3.367 0 40 DGAB Cc1cc(N)c(NS(=O)(=O)c2ccc(F)cc2)cc1Cl 216934499 KPTCRXDLUNVKPH-UHFFFAOYSA-N 314.769 3.171 0 40 DGAB CNC(=O)Cc1ccc(-c2csc(-c3ccncc3)n2)cc1 225336859 AESQXBAKCBWXDC-UHFFFAOYSA-N 309.394 3.161 0 40 DGAB O=C(NC[C@H]1CCCO1)NCC1(c2cccs2)CCCC1 225551614 FOIALIRAHDWBQA-CYBMUJFWSA-N 308.447 3.038 0 40 DGAB O=C(NCCCc1ccco1)C1(c2ccccc2)CCOCC1 225696966 RZKYRFMSOYCPNH-UHFFFAOYSA-N 313.397 3.077 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)N1CCC(C)CC1 225795749 WKEBPARANDCJJW-UHFFFAOYSA-N 313.376 3.463 0 40 DGAB O=c1c2c(n(Cc3ccccc3)c(=O)n1C1CCCCC1)CCC2 226820791 SMUXLUVSGAUQNG-UHFFFAOYSA-N 324.424 3.052 0 40 DGAB COc1ccc(COc2ccc(Br)cn2)cc1OC 228981225 HRMVFVWCZBVWRO-UHFFFAOYSA-N 324.174 3.440 0 40 DGAB Cc1cccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)c1 238950375 WVOGJFTUZBTRMU-HXUWFJFHSA-N 320.436 3.268 0 40 DGAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)NC1CCCC1 253398768 HLEJSWMDGQYPDU-VIFPVBQESA-N 306.387 3.129 0 40 DGAB biogenic,in-vitro COc1ccc(C(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)cc1F 257214445 CMAIZOFFGQBTEK-QBIMZIAESA-N 321.392 3.254 0 40 DGAB CCS(=O)(=O)c1ccccc1NCCc1nc(C)c(C)s1 276282604 IOHRLFCXWRSMAT-UHFFFAOYSA-N 324.471 3.208 0 40 DGAB CCC(=O)Oc1ccc(Br)cc1/C=C/[N+](=O)[O-] 408526780 GBUZVKUTQOYRSA-AATRIKPKSA-N 300.108 3.012 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCCCc2ccccc2)cc1C 408709893 ZAVBCWPZFBSSFU-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB COc1ccc(CN2[C@H](C(=O)O)CC[C@H]2c2ccccc2)cc1 584421849 GEJCCKLRSREFQR-ROUUACIJSA-N 311.381 3.486 0 40 DGAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cscn1 585149366 LFJISKYDMZKCSZ-ZDUSSCGKSA-N 308.428 3.102 0 40 DGAB CN1C(=O)CN=C(c2cccc(F)c2)c2cc(Cl)ccc21 675082178 HYXNDWQLXGKGIM-UHFFFAOYSA-N 302.736 3.293 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1cccc(Cl)c1Br 719458996 BIOJLTPSINKYCR-ZANVPECISA-N 318.642 3.006 0 40 DGAB O=C(NC1(c2ccccc2)COC1)c1ccc(C(F)F)cc1 1538768536 KYVKTZHXICFKBV-UHFFFAOYSA-N 303.308 3.280 0 40 DGAB COC(=O)c1ccc(NC(=O)COc2ccc(Cl)cc2)cc1 68697 ADIVDPYSPQLXKF-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CN1CCN(c2nnc(-c3cccs3)c3ccccc23)CC1 91473 WIBKCSKSGSHGMH-UHFFFAOYSA-N 310.426 3.110 0 40 DGAB FC(F)(F)c1nc(-n2nnc3ccccc32)c2ccccc2n1 1292872 OVPTVJBAJDAIPS-UHFFFAOYSA-N 315.258 3.383 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccccc1 1437005 POOSGWSOLUTHOS-DRUFCSCSSA-N 304.393 3.324 0 40 DGAB CCCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](C)C2 2093186 JFJZFGHZQFWUHG-JTQLQIEISA-N 308.447 3.491 0 40 DGAB COc1ccc(Oc2nc(-c3ccccn3)ncc2OC)cc1 3128556 IBNUINLZXVLPRC-UHFFFAOYSA-N 309.325 3.348 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@@H](C)c1ccccc1 3318033 IQACKLTZRWXQIO-LBPRGKRZSA-N 303.383 3.091 0 40 DGAB C/C=C/c1ccc(OCC(=O)Nc2nccs2)c(OC)c1 3325453 GHRFEMQZBXKSCK-ONEGZZNKSA-N 304.371 3.202 0 40 DGAB Cc1ccccc1OCCSc1nc(C(C)C)cc(=O)[nH]1 4943260 AHVINQCCOLWRLK-UHFFFAOYSA-N 304.415 3.373 0 40 DGAB NCCc1nnc(SCc2ccc(Cl)c(Cl)c2)o1 5091351 XMJQCRIKEWXETR-UHFFFAOYSA-N 304.202 3.170 0 40 DGAB CCOc1cc(C(=O)NCC(C)C)cc(OCC)c1OCC 5475060 ZHRPHJZDNHZHOD-UHFFFAOYSA-N 309.406 3.269 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)Cc2ccccc2Cl)cc1 7595305 OFPGNFORTWDLCL-UHFFFAOYSA-N 316.788 3.223 0 40 DGAB Cc1cccc2nc(C(=O)NCCc3c[nH]c4ccccc34)cn12 8012760 PDQNMWOKUFXPEG-UHFFFAOYSA-N 318.380 3.097 0 40 DGAB Cc1nc(CSc2nnnn2-c2cccc(C)c2C)cs1 8394867 NTCOHBAIBKIITK-UHFFFAOYSA-N 317.443 3.336 0 40 DGAB COc1ccc([C@@H](NC(=O)c2c(C)noc2C)C2CC2)cc1 8993892 CJMVEAXRTLUEGN-INIZCTEOSA-N 300.358 3.181 0 40 DGAB O=C(NC(=S)NNc1ccccc1)c1cc2ccccc2o1 9140671 PYUBABQXBZLHOS-UHFFFAOYSA-N 311.366 3.064 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cccc2cccnc12 11283952 NEDCSHSQZMJZBZ-UHFFFAOYSA-N 323.396 3.380 0 40 DGAB Cc1nc2ccc(C(=O)NCCCc3ccc(F)cc3)cc2[nH]1 12147205 CPXNTZPBKITPOO-UHFFFAOYSA-N 311.360 3.373 0 40 DGAB Cc1ccnc(SCc2cc(O)n(-c3ccc(F)cc3)n2)n1 14162656 OUOSGWLJIPEGSH-UHFFFAOYSA-N 316.361 3.108 0 40 DGAB COCCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 15670848 JEKULZJVLQIYMY-UHFFFAOYSA-N 314.410 3.470 0 40 DGAB COc1ccc(Nc2nc(Cl)nc3c2cnn3C)cc1Cl 16837585 FTXDKWWLXUQBPF-UHFFFAOYSA-N 324.171 3.422 0 40 DGAB CCOc1ccc(-c2nn3c(=O)c4ccccc4nc3s2)cc1 17056511 CIGDWFRHKVZDKR-UHFFFAOYSA-N 323.377 3.370 0 40 DGAB ClC(Cl)(Cl)[C@H]1OCO[C@@H](C(Cl)(Cl)Cl)O1 17779616 VQJJRXHXZLXWRO-WSOKHJQSSA-N 324.802 3.400 0 40 DGAB Cc1cc(C)cc(C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 22028032 AVKUNTSOINAGIO-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)n1C 24547409 RVHLKYGSYQIMJZ-UHFFFAOYSA-N 314.389 3.116 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2ccc(C)cc2C)cs1 24811103 MKFKVTBRUHBPCB-UHFFFAOYSA-N 303.431 3.350 0 40 DGAB O=C(Nc1ccnn1Cc1cccs1)c1ccccc1F 28405239 JWDQZFCUOFCFPU-UHFFFAOYSA-N 301.346 3.384 0 40 DGAB Cc1ccn2c(=O)cc(COc3ccc(F)c(Cl)c3)nc2c1 28942539 JTQVSXHVXRUFQV-UHFFFAOYSA-N 318.735 3.374 0 40 DGAB Cn1cc(C(=O)N2CCc3sccc3[C@H]2c2ccccc2)cn1 29280227 KWMCAFKILYGGHF-QGZVFWFLSA-N 323.421 3.270 0 40 DGAB Cc1ccc(CNC(=O)NC[C@H](c2ccccc2)N(C)C)cc1 32862774 PNVBKIXSWZVTHP-GOSISDBHSA-N 311.429 3.097 0 40 DGAB Cc1ccc(-n2c(O)nc3c(sc4ncccc43)c2=O)cc1C 32951126 CXMRRFYOOFAFMQ-UHFFFAOYSA-N 323.377 3.318 0 40 DGAB COc1ccccc1NC(=O)CCCc1nc(C(C)(C)C)no1 33145325 LQWBRLISHCXRIX-UHFFFAOYSA-N 317.389 3.337 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cccc(F)c1F 36612250 OSRSBLBUDILFHQ-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB CC(=O)c1cn(CCC(=O)Nc2ccncc2)c2ccccc12 40267310 UHDWXCPULAQVNZ-UHFFFAOYSA-N 307.353 3.268 0 40 DGAB Cc1cc(NC(=O)NCc2csc3ccccc23)n(C)n1 40539702 MAWIQDRQANJMLQ-UHFFFAOYSA-N 300.387 3.265 0 40 DGAB O=C(c1cccc(CN2CCOCC2)c1)c1ccccc1Cl 43211017 MXXMZRWUXVYYTH-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 43574224 VYYLXEJYLSRBNG-UHFFFAOYSA-N 323.396 3.477 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)o1 44895554 SUOMHTGKBYMNNJ-GWCFXTLKSA-N 316.332 3.030 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)c1ncnc2c1cnn2C 45026412 CZOZRBDNUVILML-NSHDSACASA-N 307.357 3.307 0 40 DGAB COc1cccc(NC(=O)N[C@@H](CN(C)C)c2ccccc2)c1 48252805 KPBNPRKQURCWMW-KRWDZBQOSA-N 313.401 3.120 0 40 DGAB c1cnc(-c2nc(CN(Cc3ccco3)C3CC3)cs2)nc1 51264302 DJHMCAHFYPLRGW-UHFFFAOYSA-N 312.398 3.358 0 40 DGAB CCc1noc(C)c1C(=O)NCCCCN(C)c1ccccc1 53209587 XLYZWVPMIRXGNM-UHFFFAOYSA-N 315.417 3.192 0 40 DGAB Cc1noc([C@H](C)SCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 56256126 MOJKZLREPMUAFF-MRBYEJRBSA-N 311.451 3.113 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCc2ccccc2C1 56761268 MPJXEGWGDCIGJM-AWEZNQCLSA-N 310.397 3.091 0 40 DGAB COCCn1cc(C(=O)N[C@H](C)c2ccccn2)c2ccccc21 57427461 KMFHRZMCQQCOOD-CQSZACIVSA-N 323.396 3.174 0 40 DGAB C[C@@H](NC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58182362 YCCDTOKXUSSGJG-LLVKDONJSA-N 311.316 3.367 0 40 DGAB CS[C@H](C)C(=O)NCc1ccc(Oc2ccccc2)nc1 58247544 KIBANHZUQNBCRQ-GFCCVEGCSA-N 302.399 3.242 0 40 DGAB CC(C)Oc1ccc(CNCc2c[nH]nc2C(C)(C)C)cn1 65512832 DQOQKMQJYINQBB-UHFFFAOYSA-N 302.422 3.179 0 40 DGAB Cc1ccccc1CN(C)C(=O)C[C@H](C)NC(=O)C1CCCC1 65610694 SRPUXAOMDJEDEB-HNNXBMFYSA-N 316.445 3.038 0 40 DGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1 69433402 WOHWEDPTPXJOSB-CQSZACIVSA-N 303.427 3.283 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)cc1 69557462 BNJDYKVDXZRZAM-RTBURBONSA-N 322.408 3.107 0 40 DGAB Cc1csc(-c2cccc(NC(=O)NC[C@@H]3CCCO3)c2)n1 71855073 HOBOAJNKFWKXLH-AWEZNQCLSA-N 317.414 3.419 0 40 DGAB CCSc1ccc(Cl)cc1NC(=O)N1CCOCC1 71857113 VKPUDHLDZFRUAF-UHFFFAOYSA-N 300.811 3.316 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)c1 71866852 XQBKSWYWCOJZRZ-AWEZNQCLSA-N 315.442 3.047 0 40 DGAB CCCN(C)C(=O)c1ccc(NC(=O)OC(C)(C)C)cc1O 71921051 RYFXTKJGOVLFDX-UHFFFAOYSA-N 308.378 3.221 0 40 DGAB CSCc1cccc(S(=O)(=O)Nc2ncc(C)s2)c1 72240355 LXEVKICGAFTGCR-UHFFFAOYSA-N 314.457 3.115 0 40 DGAB CCOC(=O)N[C@@H](CNCc1c(C)cc(C)cc1C)C1CC1 72289900 XMWKCPWFTHPNQY-KRWDZBQOSA-N 304.434 3.226 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)[C@@H]1CCN(C2CCCCC2)C1 72313287 CSQBDUMVACLGMJ-LSDHHAIUSA-N 304.434 3.454 0 40 DGAB C[C@H]1CCC[C@@H](c2ccccc2)N1CCCN1CCOC1=O 75109393 HQAFTCYKIJCWSG-RDJZCZTQSA-N 302.418 3.444 0 40 DGAB CC(C)(C)c1cc(-c2nnc3sc(-c4ccco4)nn23)[nH]n1 78549466 ZQHQHVCVDJDOIB-UHFFFAOYSA-N 314.374 3.133 0 40 DGAB COc1cccc(/C(C)=C/C(=O)N2CC[C@@H](CSC)C2)c1 83812926 QEFZHUDPQKYFKT-KADHNRKRSA-N 305.443 3.310 0 40 DGAB Cc1nc(CN[C@H]2CCN(Cc3ccccc3)C2)sc1C 88737928 DOGNXIOYFHQGSZ-INIZCTEOSA-N 301.459 3.124 0 40 DGAB Cc1ccc(C[S@@](=O)Cc2cccc3c2OCCO3)cc1 89633254 YCGPEJOOOBQLCS-NRFANRHFSA-N 302.395 3.215 0 40 DGAB c1ccc(-c2csc(NCc3nnc4ccccn34)n2)cc1 89851289 OBLBYLFMAJJUQJ-UHFFFAOYSA-N 307.382 3.465 0 40 DGAB CCCn1nc(C)c(CN(C)[C@@H]2CCN(CC)C[C@@H]2C)c1C 93638679 LTWQWLLWMVYUCR-KBXCAEBGSA-N 306.498 3.072 0 40 DGAB CC1CCC(N(C(=O)NCCCc2cnn(C)c2)C2CC2)CC1 95424500 FIIRMGVJSQZHOF-UHFFFAOYSA-N 318.465 3.105 0 40 DGAB Cc1cccn2c(CN[C@H](C)C[C@@H](O)c3cccs3)cnc12 95448918 ZNFYZMLMVXJKMT-UKRRQHHQSA-N 315.442 3.306 0 40 DGAB O=S(=O)(CCc1ccccc1F)CCc1ccccc1F 95935192 TUETWRSKXTWTJJ-UHFFFAOYSA-N 310.365 3.165 0 40 DGAB COCc1ccc(C(=O)NCc2ccc(C)c(F)c2)cc1OC 95965974 UVZJFHBZHCQRJG-UHFFFAOYSA-N 317.360 3.219 0 40 DGAB CCNC(=O)C(C)(C)CN[C@@H](C)c1cnc2ccsc2c1 95991712 KRZWADNRVCSOJO-NSHDSACASA-N 305.447 3.109 0 40 DGAB Cc1noc(C)c1CN1CC[C@@H](N(C)C)[C@@H]1Cc1ccccc1 96261352 SBHPHTNJHOBDRN-MOPGFXCFSA-N 313.445 3.039 0 40 DGAB COc1ccc(-c2csc(CN3CCOCC3)n2)cc1Cl 96413042 ANSIBRFKVNCUBX-UHFFFAOYSA-N 324.833 3.304 0 40 DGAB CC(C)n1nnnc1CN[C@H](C)c1ccc(-c2cccnc2)cc1 96492247 ADJAGKNUKGOZPR-CQSZACIVSA-N 322.416 3.167 0 40 DGAB Cc1ccc(N[C@H](C)CCc2ccco2)cc1NS(C)(=O)=O 96494899 VCOHPVPNLAZBIT-CYBMUJFWSA-N 322.430 3.393 0 40 DGAB Cc1nc(C[S@@](=O)Cc2nc(C(C)(C)C)cs2)oc1C 97083650 WWLWFHRHLNCOPX-FQEVSTJZSA-N 312.460 3.494 0 40 DGAB Cc1cccc(Cl)c1NC(=O)CN[C@@H](C)c1ccncc1 97084012 LMNNCWRFZIPVOQ-LBPRGKRZSA-N 303.793 3.333 0 40 DGAB CC(C)c1cc(CNC(=O)N(C)C[C@H](C)c2nccs2)on1 97086279 TUYQNCKIXXMEIG-NSHDSACASA-N 322.434 3.200 0 40 DGAB O=S(=O)(Nc1cc(C(F)(F)F)ccn1)c1cccc(F)c1 97235888 QVFUYMYGJJVFCE-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB O=C(c1ccccc1)N1[C@H]2CC[C@@H](C2)N1C(=O)c1ccccc1 104118783 DVOFIXKNLVBNET-IRXDYDNUSA-N 306.365 3.121 0 40 DGAB CCOc1c(Cl)cc(C(=S)N2CCOCC2)cc1Cl 108023910 HCZWPRVZVBPCLC-UHFFFAOYSA-N 320.241 3.400 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NC(=O)C2=CCCC2)C1 120156394 ZZHGKOKTARCGGP-ZIAGYGMSSA-N 308.422 3.049 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccccc2)c2cccnc12 129606494 JEMYSYBWABVADB-UHFFFAOYSA-N 314.366 3.044 0 40 DGAB O=C(CSC[C@@H]1CCCCO1)Nc1cccc(Cl)c1O 172356408 VKSWVWHWBWQOTM-JTQLQIEISA-N 315.822 3.286 0 40 DGAB OC1CCN(c2ccccc2NCc2ccc3cn[nH]c3c2)CC1 187955310 BNJHADOLJCIAMW-UHFFFAOYSA-N 322.412 3.136 0 40 DGAB CN(Cc1cc(Cl)cs1)[C@@H]1CCCN(c2cccnn2)C1 194382866 YAJQUJOLMISCNC-CYBMUJFWSA-N 322.865 3.292 0 40 DGAB Cc1nc(NC(=S)NC2CCCC2)ccc1Br 224033373 URKLCVYDDSHCOY-UHFFFAOYSA-N 314.252 3.382 0 40 DGAB COc1ccc(NC(=S)NCc2cccc(C)c2)cc1OC 225426310 IIXRPJYRMIJQOC-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB Cc1cc2nccc(C3CCN(Cc4ccncc4C)CC3)n2n1 257265283 LXZVUOBTCSLZTC-UHFFFAOYSA-N 321.428 3.121 0 40 DGAB O=C(c1cnco1)N1CCC(Cc2cnc3ccccc3c2)CC1 257312675 UPBNFEHSHXHUDQ-UHFFFAOYSA-N 321.380 3.318 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260449432 VGWPKCOANXWONX-DVZHBHJUSA-N 305.443 3.481 0 40 DGAB Cc1nc2ccc(OC(=S)N3CCCCC3)cc2nc1C 408734740 CULPSXHCLZBWQJ-UHFFFAOYSA-N 301.415 3.396 0 40 DGAB NC(=O)c1cc(NC(=O)c2ccc(-c3ccccc3)o2)cs1 1544535035 RRXFGJIOQWUYSZ-UHFFFAOYSA-N 312.350 3.359 0 40 DGAB Cc1cccc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 133516 JCUKOCQYJDHLBI-BJMVGYQFSA-N 324.399 3.496 0 40 DGAB O=C(C1CCN(c2nc3ccccc3o2)CC1)N1CCCCC1 218585 MGYXORVPHANPPB-UHFFFAOYSA-N 313.401 3.057 0 40 DGAB CCCCCOc1ccc(C(=O)N[C@H](C(=O)O)C(C)C)cc1 2292242 HHFZQEVZQYBHAR-HNNXBMFYSA-N 307.390 3.095 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1cccnc1Cl 2742958 CDHKMXDPSHEPFH-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)c1ccccc1Cl 3259672 SSNYMFKOBZXFDY-UHFFFAOYSA-N 304.729 3.423 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2ccccc2C(C)=O)c1 3336896 ZODNSZUZVMBIQZ-UHFFFAOYSA-N 311.337 3.109 0 40 DGAB Cc1ccc2c(CSc3nnc4ccccn34)cc(=O)oc2c1 3345797 MRCKAPQUNFZFJT-UHFFFAOYSA-N 323.377 3.436 0 40 DGAB CC(=O)c1cccc(NC(=O)COC(=O)c2ccc(C)s2)c1 3384666 NBDJYLGVZHKZPK-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(F)c(Cl)c1 3429892 NYOAGWSVSDJBSX-UHFFFAOYSA-N 321.661 3.333 0 40 DGAB CN(Cc1ccccc1Cl)C(=O)[C@@H]1COc2ccccc2O1 3614672 USKFPLZGSYJSCK-INIZCTEOSA-N 317.772 3.138 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccnc1 4703869 SCCVLUTYMWQSOJ-VMPITWQZSA-N 317.801 3.261 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1ccc(C(F)(F)F)cc1 4884294 YDHHTJGYDGAEBE-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB COc1ccc([S@@](C)=NS(=O)(=O)c2ccc(C)cc2)cc1 4963127 QTLHCQCALCEXFJ-FQEVSTJZSA-N 323.439 3.183 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)n1nnc2ccccc21 6408794 UCRMPUCMKPUMJZ-JTQLQIEISA-N 301.733 3.192 0 40 DGAB O=C(NC/C=C/Br)N[C@H]1CCCc2ccccc21 6576104 AZOOAXBXLUHOCJ-FAFAAHBOSA-N 309.207 3.272 0 40 DGAB CCOc1ccc(NC(=O)C[C@H](C)n2nc(C)cc2C)cc1 7616303 SQEVQBDXGVGKJH-AWEZNQCLSA-N 301.390 3.488 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(F)cc1 7706151 YMFSTZVFKWDYKU-CYBMUJFWSA-N 324.359 3.240 0 40 DGAB CCc1c(C(=O)Nc2ccccc2OC)nnn1-c1ccccc1 8715280 LXZMMPRYGJNKJO-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB COc1cc(NC(=O)c2cc(C)ccc2OC)cc(OC)c1 8735057 OOHRKWGVVCSJAY-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB Cc1nc(N2CCCC2)nc2c1C(=O)C[C@@H](c1ccccc1O)C2 10157014 WSELTMQZZQHZMW-ZDUSSCGKSA-N 323.396 3.004 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(-c3ccccc3Cl)o2)CCO1 11496590 GJLHDJYJVOMAGP-LLVKDONJSA-N 305.761 3.461 0 40 DGAB COc1ccc(OC)c(-c2cc(C(=O)O)nn2-c2ccccc2)c1 11801973 UXFZDOLSNWKLNU-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB Nc1c(C(=O)c2c[nH]c3ccccc23)cnn1-c1ccccc1 11919923 MSFVMLZNLGIMDD-UHFFFAOYSA-N 302.337 3.167 0 40 DGAB O=C(NC1CC1)[C@@H](Sc1ccccn1)c1ccc(F)cc1 12263261 WOBNEHCKENTHAT-HNNXBMFYSA-N 302.374 3.333 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1F 12626485 JCBXAKORVYNKLQ-UHFFFAOYSA-N 323.371 3.309 0 40 DGAB O=C(/C=C/c1ccc(N2CCCC2=O)cc1)NC(C1CC1)C1CC1 12766556 MVYQQLRAUOGKNJ-LFYBBSHMSA-N 324.424 3.131 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 12769624 SWMWJGGFPDELJT-UHFFFAOYSA-N 308.381 3.307 0 40 DGAB O=C(Nc1ccncc1)c1ccc(COCC(F)(F)F)cc1 12792385 BQAXIJQKUASVFM-UHFFFAOYSA-N 310.275 3.413 0 40 DGAB CSc1cccc(NC(=O)[C@@H]2CC(=O)Nc3ccccc32)c1 12939760 OZABFSWRJCCYRV-CQSZACIVSA-N 312.394 3.473 0 40 DGAB Cc1ccccc1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 13714082 MVZYOLFKUPYIOL-UHFFFAOYSA-N 322.408 3.412 0 40 DGAB COc1ccc(C)cc1COC(=O)c1cc(=O)[nH]c2ccccc12 14234559 RZCMWFJTJRNHCI-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB c1ccc(-c2nnn(CN3CCC[C@H]3c3cccs3)n2)cc1 14248722 NOPNAVBSACUEMN-AWEZNQCLSA-N 311.414 3.196 0 40 DGAB Clc1ccc(Cl)c(SCCCN2CCNCC2)c1 19366475 YCJUISCEMNHDHX-UHFFFAOYSA-N 305.274 3.381 0 40 DGAB in-vitro CCN(CC)CCN[C@H](c1ccccc1)[C@@H](O)c1ccccc1 19369334 ZMCDSBQGSSIJLF-UXHICEINSA-N 312.457 3.393 0 40 DGAB COc1cc(CNC[C@@H]2OCCc3ccccc32)cc(OC)c1 19703076 SQZSGELVDMKNLT-IBGZPJMESA-N 313.397 3.107 0 40 DGAB biogenic COc1ccc(OC)c(CC(=O)NC2CCCCCCC2)c1 20447926 NPOBZPXJDUBUFS-UHFFFAOYSA-N 305.418 3.475 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)Cc2c(C)noc2C)cc1 21623484 HNHCIVDDTJWWIR-KRWDZBQOSA-N 314.385 3.206 0 40 DGAB Cc1cc(COC(=O)COc2ccc(Cl)cc2Cl)no1 22769123 QXMMOGGJEQWQBB-UHFFFAOYSA-N 316.140 3.412 0 40 DGAB Cc1cc(N)nc(SCc2coc(-c3cccc(F)c3)n2)n1 26107798 RJJTTWQSOMBPAQ-UHFFFAOYSA-N 316.361 3.454 0 40 DGAB COc1ccc(S(=O)(=O)Oc2ccccc2Cl)cc1C 30288203 ZAYKSYRFJGSAQK-UHFFFAOYSA-N 312.774 3.425 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)c1 30850305 WJIMKDINYOSOMP-JTQLQIEISA-N 307.296 3.379 0 40 DGAB O=C(NC[C@H]1CCN(c2ccccc2)C1)c1ccc[nH]c1=S 31235604 AOGYYDILLMNCNS-CYBMUJFWSA-N 313.426 3.000 0 40 DGAB C[C@@H](CCCC(C)(C)O)N[C@@H]1CCN(c2ccc(F)cc2)C1 32529734 RHZUSEZBRZQAGM-GOEBONIOSA-N 308.441 3.324 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1ccc2c(c1)CCC2)c1ccccc1 32674921 BQHYVHQTMGGDDD-HXUWFJFHSA-N 322.452 3.137 0 40 DGAB CC(C)OCCCNC(=O)Nc1cccc(Br)c1 33880081 MIPUJUVKXLLDAR-UHFFFAOYSA-N 315.211 3.386 0 40 DGAB COC(=O)c1ccccc1N(C)C(=O)c1cccc(Cl)c1 35176415 DHUMGHRWVZDAQI-UHFFFAOYSA-N 303.745 3.403 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1n[nH]nc1Nc1ccccc1 35462656 LENINWWLFNPEMV-UHFFFAOYSA-N 315.283 3.079 0 40 DGAB COc1ncccc1CNC(=O)Nc1ccc(Cl)cc1C 40096450 UPABTKHYMWTEGH-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB COc1cc(NC(=O)NCCc2ccccc2F)cc(OC)c1 40097715 SPBKDXIPIPUBEZ-UHFFFAOYSA-N 318.348 3.207 0 40 DGAB COc1ccc(CNC(=O)c2cc3cc(OC)ccc3o2)cc1 41306445 OAYFGADRIXKTSS-UHFFFAOYSA-N 311.337 3.380 0 40 DGAB CC(=O)Nc1ccc(NC(=S)NN2[C@@H](C)CCC[C@@H]2C)cc1 41723872 ARLITQUMXNYIFT-RYUDHWBXSA-N 320.462 3.109 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)C1(c2cccc(Cl)c2)CCC1 42535085 FYLXFGAFEFXFRF-CYBMUJFWSA-N 317.820 3.163 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646339 PIZFVFVSMHKZJJ-CQSZACIVSA-N 310.397 3.107 0 40 DGAB COCCOc1ccc(C(F)(F)F)cc1NC(=O)C1CCC1 43006874 UIOIJIUUPYXHKG-UHFFFAOYSA-N 317.307 3.469 0 40 DGAB C[C@@H](NC(=O)Nc1nncs1)c1cccc(C(F)(F)F)c1 43130237 OUZPRYLCTPGIFW-SSDOTTSWSA-N 316.308 3.440 0 40 DGAB Cc1ccc([C@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 48367004 HDYDKIOLVMSRRV-AWEZNQCLSA-N 307.397 3.425 0 40 DGAB CN(CCNC(=O)CCCOc1ccccc1)c1ccccc1 53207078 KOPOJWSUXHSLKD-UHFFFAOYSA-N 312.413 3.098 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)c3cc(Cl)ccc3F)C2)n1 54662657 XWWSDRIEFYENIK-JTQLQIEISA-N 323.755 3.190 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 63488757 MYJBPCWSRDODJT-LLVKDONJSA-N 310.357 3.173 0 40 DGAB Cn1ccnc1-c1cccc(NC(=O)c2cc(C3CC3)on2)c1 63770089 RIPSLULMFLRUQZ-UHFFFAOYSA-N 308.341 3.205 0 40 DGAB Cc1cccc(-c2nnc([C@@H](C)N3CC(n4cc(C)cn4)C3)o2)c1 69696848 RROMLRBGTAOCQK-CQSZACIVSA-N 323.400 3.168 0 40 DGAB Cn1cc(CCCN2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 71830485 FWBWIFKUXVXCED-MRXNPFEDSA-N 324.428 3.374 0 40 DGAB C[C@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1Cn1cccn1 71875490 GTMMFPIUXVGZPY-GDBMZVCRSA-N 323.400 3.159 0 40 DGAB O=S(=O)(CC1CCCCC1)NCc1ccccc1Cl 72230345 RDDLPYXXVCYDAJ-UHFFFAOYSA-N 301.839 3.340 0 40 DGAB O=C(NCc1ncc[nH]1)c1ccc(-c2nc3ccccc3s2)o1 72283633 YVBDVMTWFAKWMD-UHFFFAOYSA-N 324.365 3.209 0 40 DGAB Cc1nc(Nc2ncccn2)cc([C@H]2CCCN2CC(C)C)n1 72363454 BWUWOQYDXHSMFZ-OAHLLOKOSA-N 312.421 3.112 0 40 DGAB CCN1CCN(Cc2c(C3CCCC3)[nH]c3ncccc23)CC1 72393345 UUZYLJCAIVWLLP-UHFFFAOYSA-N 312.461 3.358 0 40 DGAB Cc1n[nH]c(-c2nn3c(-c4cccs4)nnc3s2)c1Cl 72405484 UWFSQRQGXZJPSR-UHFFFAOYSA-N 322.806 3.266 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NC(=O)CSc1ccncc1 79022548 GLGIASQXPGLGPJ-KBPBESRZSA-N 310.488 3.354 0 40 DGAB O=S(=O)(CCc1ccccc1)N[C@H]1CCCc2ccccc21 79226152 GFXQRDDDWVKOCW-SFHVURJKSA-N 315.438 3.226 0 40 DGAB COCc1cc(C(=O)N(C)[C@H](C)c2cc(C)ccc2C)no1 79487568 RJURGBTZZNNJEO-CYBMUJFWSA-N 302.374 3.271 0 40 DGAB CC(C)Oc1ccc(CNc2nccc(C(F)(F)F)n2)cn1 79928939 USFULBBNYLTBTG-UHFFFAOYSA-N 312.295 3.290 0 40 DGAB Cc1[nH]c2c(C)cccc2c1CCN1C(=O)OC(C)(C)[C@@]1(C)O 85409909 DIDZDDKXXKLUFJ-GOSISDBHSA-N 316.401 3.267 0 40 DGAB COc1ccc2c(c1)C=C(c1nc(-c3ccncc3)no1)CO2 88337168 VWMVMSPMMRHIKM-UHFFFAOYSA-N 307.309 3.073 0 40 DGAB Cc1nc(C)n(C[C@H](O)Cn2c3ccccc3c3ccccc32)n1 89201631 YBPLZMLQORNHMQ-OAHLLOKOSA-N 320.396 3.064 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(-c2csnn2)cc1 89865671 HKHGJKGQQIGNRX-UHFFFAOYSA-N 314.374 3.189 0 40 DGAB COc1cccc([C@@H]2CC(c3ccsc3)=NN2C(C)=O)c1 95116600 ALIKUFJSODXLPI-INIZCTEOSA-N 300.383 3.454 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(Cl)cn1 95398752 WOUBYMVFEZSKJW-UHFFFAOYSA-N 304.777 3.324 0 40 DGAB CS(=O)(=O)[C@H]1CCC[C@@H](NCc2cc3ccccc3s2)C1 95412261 GJIHNXHHEIERHS-HIFRSBDPSA-N 323.483 3.347 0 40 DGAB C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccs1 95417070 LUAPDFGANKDTCW-WFASDCNBSA-N 316.426 3.110 0 40 DGAB CC(C)c1cc(C(=O)Nc2cccc(-c3ncco3)c2)nn1C 95436496 UVHOURXMECGDLG-UHFFFAOYSA-N 310.357 3.451 0 40 DGAB Cc1noc(C)c1[C@H](C)CC(=O)Nc1cnc2[nH]nc(C)c2c1 95436780 JIBJDQZYPVCNKO-MRVPVSSYSA-N 313.361 3.003 0 40 DGAB COc1ccc(NC(=O)c2cccc(Cl)c2F)cc1CO 95447849 AEJGKYZWIQTSAW-UHFFFAOYSA-N 309.724 3.232 0 40 DGAB Cc1c(Cl)ccc2ccc(NCc3nnc4n3CCC4)nc12 95462943 MROYYZKZYDOLCD-UHFFFAOYSA-N 313.792 3.346 0 40 DGAB COc1cc(C(=O)c2ccc(N(C)C)cc2)cc(OC)c1OC 95916781 PJNQXPBFVSCQAI-UHFFFAOYSA-N 315.369 3.009 0 40 DGAB COC[C@@H]1CN(Cc2cccs2)Cc2nn(CC3CC3)cc21 96060440 YUNKICKCRWIEHH-AWEZNQCLSA-N 317.458 3.100 0 40 DGAB COCc1ccc(C(=O)OC[C@@H]2CCN(c3ccccc3)C2)o1 96442405 UGLQTVVWSWEMEQ-CQSZACIVSA-N 315.369 3.109 0 40 DGAB Fc1ccccc1Cc1nnc(NCc2cccnc2)s1 96494349 GLAJAYGODOJZFW-UHFFFAOYSA-N 300.362 3.275 0 40 DGAB Cc1ccsc1C(=O)N[C@@H](c1ccccc1)[C@H](C)C(=O)O 97018277 HIUGRFSOYAYGNS-WCQYABFASA-N 303.383 3.248 0 40 DGAB CCc1ccc([C@H](NC(=O)N2CC[C@@H]([C@@H](C)O)C2)C(C)(C)C)o1 97107956 ALWDHJTXNRTJPC-IOASZLSFSA-N 322.449 3.342 0 40 DGAB CC(=O)NC[C@H]1CCCN(CCc2ccc(C(C)C)cc2)C1 97162415 HODDUTKOMOXADY-GOSISDBHSA-N 302.462 3.201 0 40 DGAB CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CNCC1CCCCC1 100466992 XTULGTCCHMSQNX-GPMSIDNRSA-N 306.494 3.487 0 40 DGAB O=C1CC(C(F)(F)F)=NN1c1ccccc1Br 100548253 IYYJQOCXUSLVAT-UHFFFAOYSA-N 307.069 3.104 0 40 DGAB CC(C)=C1[C@H]2C=C[C@H]1[C@@H](C(=O)Nc1ccc(F)cc1)[C@H]2C(=O)O 102766988 SPWPRUGYWKGYQV-XOUADPBQSA-N 315.344 3.233 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@@]2(C)CC2(Cl)Cl)C1 106573418 FRYBGUVTZHPSRZ-BXUZGUMPSA-N 321.292 3.197 0 40 DGAB c1ccc(COc2ccc(CN3CCO[C@@H]4CCC[C@H]43)cc2)nc1 106853140 LROVKGJVHVTQKZ-WOJBJXKFSA-N 324.424 3.414 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N(C[C@H]1CCOC1)C1CC1 107351485 FUCXPXTYPKWUCJ-CSMYWGQOSA-N 319.832 3.471 0 40 DGAB C[C@H](SCc1ccc(Br)s1)C(=O)N(C)C 126495958 CDDUQUCCMKPALI-ZETCQYMHSA-N 308.266 3.221 0 40 DGAB CCOC[C@H]1CCN(C(=O)Nc2ccc(Cl)c(OC)c2)C1 194437947 MXRKRIYDVBQPHN-NSHDSACASA-N 312.797 3.239 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCC 225101514 HGAIRXVNZUKZQJ-INIZCTEOSA-N 304.434 3.120 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)N[C@H](C)CC 225130863 SXGOJHUVYFPSFF-HUUCEWRRSA-N 304.434 3.037 0 40 DGAB CCN1CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1 225328343 JRCFGGUYSNOIEM-UHFFFAOYSA-N 315.244 3.090 0 40 DGAB CCCCOc1ncc(NC(=O)[C@](C)(OC)C2CC2)cc1C 225891865 QCIKCWNHRDTZBQ-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB CC1(C)CCc2ccccc2[C@@H](NC(=O)NCc2cccnn2)C1 252482814 DOIRZACOVCUUNE-KRWDZBQOSA-N 324.428 3.380 0 40 DGAB COCC[C@H]1CCOC12CCN(C(=O)c1sccc1C)CC2 253598249 DJVKEOVKGKONDD-AWEZNQCLSA-N 323.458 3.104 0 40 DGAB O=C(Nc1cccc(F)c1)C1[C@H](F)[C@H](F)C(F)[C@@H](F)[C@H]1F 254744633 YOXLKZJLOHSSNS-UYUDNCPLSA-N 311.225 3.085 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 257244738 IMPGTRVDNYWYHB-KRWDZBQOSA-N 309.413 3.195 0 40 DGAB COc1ccc(CC(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)cc1 257312971 UQLMLNSOELFFGW-LMMKCTJWSA-N 317.429 3.044 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n1 257318812 VPMLIHJEVXNWNS-GOSISDBHSA-N 323.440 3.156 0 40 DGAB CCc1ccc(CC(=O)NCCCN2CCC[C@H](C)C2)cc1 260841324 NNKMNXGLZWUFTQ-INIZCTEOSA-N 302.462 3.030 0 40 DGAB CCc1nc2c(s1)[C@H](N(C)CC1(CC(=O)O)CC1)CCC2 569611012 BEDPEZNLMGFFKC-GFCCVEGCSA-N 308.447 3.270 0 40 DGAB COC(=O)c1cc(Cl)ccc1C(=O)COc1ccccc1 575243231 WEXFRYVANZTPDP-UHFFFAOYSA-N 304.729 3.388 0 40 DGAB CN1C(=O)CN=C(c2cc(F)cc(F)c2)c2cc(Cl)ccc21 675082280 QKOCFIHKKIYNQT-UHFFFAOYSA-N 320.726 3.432 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CCCN(C2CCC2)CC1 826572102 HVSSYIYKIPCZRY-UHFFFAOYSA-N 310.800 3.180 0 40 DGAB OC1(Cc2ccc(Cl)c(Br)c2)CCOCC1 1083806404 UWRRRJGXRTWLCF-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCOCC3)c(F)c2)cc1 1399229 MXXONEJKVXHKTH-UHFFFAOYSA-N 314.360 3.223 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 1459913 DQCWKOQAXQYJFX-QGZVFWFLSA-N 322.408 3.236 0 40 DGAB CCCC[C@@H](S[C@](CC)(C(N)=O)c1ccccc1)C(=O)O 1705151 NNCDGIJFFKOTHG-CJNGLKHVSA-N 309.431 3.154 0 40 DGAB Cc1nc(SCC(=O)N(C)c2ccccc2)nc(C)c1C 2623907 GRHPMHSJDMTFQC-UHFFFAOYSA-N 301.415 3.157 0 40 DGAB CC(C)c1ccc(OCn2ccc(C(=O)N3CCCC3)n2)cc1 2799148 HAYNILPPIXSSQR-UHFFFAOYSA-N 313.401 3.279 0 40 DGAB Fc1ccc(O[C@@H]2OCCO[C@H]2Oc2ccc(F)cc2)cc1 3212707 LWLFNVVVVQUANV-HOTGVXAUSA-N 308.280 3.122 0 40 DGAB Cc1cc2oc(=O)cc(CSc3nncn3C)c2cc1Cl 3348421 CHSOOCUZYLLVNF-UHFFFAOYSA-N 321.789 3.176 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(OC(C)C)cc2)cc1 3374234 URCBDGZCWUBJNF-UHFFFAOYSA-N 313.397 3.455 0 40 DGAB Nc1cc(S(=O)(=O)Nc2ccccc2Cl)ccc1Cl 3885360 VSCICOOOPVMZCV-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB CC[C@@H](C)OC(=O)[C@H](C)Oc1ccc2c(C)cc(=O)oc2c1 4056192 NDZZLQBHOVIQPG-NEPJUHHUSA-N 304.342 3.210 0 40 DGAB Cc1ccccc1NC(=O)OCCNC(=O)Nc1ccccc1 5943172 OFWUBPKUXZWLHM-UHFFFAOYSA-N 313.357 3.365 0 40 DGAB O=c1c2c3c(sc2[nH]c(=S)n1C[C@@H]1CCCO1)CCCC3 6279545 BQTGCYKYZJCORG-VIFPVBQESA-N 322.455 3.178 0 40 DGAB COc1ccc(CNC(=O)/C=C/c2cc(C)ccc2OC)cc1 6789142 KQAMRLGPXMIRMM-YRNVUSSQSA-N 311.381 3.342 0 40 DGAB CCNC(=S)N(C)c1ccccc1C(=O)NC1CCCCC1 6869998 LOYUEVXDMNNEEI-UHFFFAOYSA-N 319.474 3.080 0 40 DGAB CCCCN(CCCC)C[C@@H](O)COCc1cccc(OC)c1 6936600 RGAWRPVBUPXILW-GOSISDBHSA-N 323.477 3.475 0 40 DGAB CN(C)c1ccc(/C=C/C=C(/C#N)C(=O)NC2CCCC2)cc1 6948660 MQMYQSCDVDSYDX-CLASBSCUSA-N 309.413 3.275 0 40 DGAB COc1ccc(C(=O)NCc2ccccc2CN2CCCC2)cc1 8011590 DSMNATTURQWZMB-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB CCCCC(=O)Nc1ccc(NC(=O)C(F)(F)F)cc1OC 8071208 SEMLITWCTCAEPN-UHFFFAOYSA-N 318.295 3.325 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCC2)cc1C(C)(C)C 8131862 KNIGNLRYZBYFKV-UHFFFAOYSA-N 311.447 3.167 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1F 8259525 GKZPDELDSLIUMM-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@@H]2CCCC[C@@H]2C)cc1 8328273 SDAWAFPNWRNNSF-GDZNZVCISA-N 317.433 3.140 0 40 DGAB CNCCCNCc1cccc(OCc2ccccc2F)c1 8377198 AMAVGBGZXPXQIJ-UHFFFAOYSA-N 302.393 3.104 0 40 DGAB Cc1cccc(NC(=O)c2cc(Br)ccc2O)n1 11639438 QBKQUIVFJIYJGA-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1[nH]nc2c1CCCCC2 12147402 WZLZRPIDCYYNAN-NSHDSACASA-N 303.431 3.101 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 12170032 KSBZZJRLSSHLLD-CKEIUWERSA-N 311.853 3.195 0 40 DGAB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccsc1 12766575 JVKBFEAKHRBONC-AWEZNQCLSA-N 322.430 3.308 0 40 DGAB Cc1cc(C(=O)N[C@H](C)CCC(C)C)c2c(C)nn(C)c2n1 12907559 SLUNASVJCCYGGR-LLVKDONJSA-N 302.422 3.140 0 40 DGAB O=C(O)C1CCN(C(=O)c2cc3cc(Cl)ccc3o2)CC1 13302895 BPQJLEMMBNSCMW-UHFFFAOYSA-N 307.733 3.023 0 40 DGAB Cc1ccc(-c2nnc([C@H]3CCCN(C(=O)C4CC4)C3)o2)s1 19217565 WYUQGEGHUAIONM-LBPRGKRZSA-N 317.414 3.223 0 40 DGAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2cccc(C)c2)cc1 23038738 JIZJOETYPVTXND-INIZCTEOSA-N 313.397 3.266 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)Cc1c(C)[nH]c2ccc(F)cc12 24768641 VCJFBEFPBHBVKO-UHFFFAOYSA-N 314.364 3.147 0 40 DGAB Cc1cccc(CNC(=O)c2ccc(C(F)(F)F)nc2O)c1 26886579 YGUIMKNJWBKSGJ-UHFFFAOYSA-N 310.275 3.044 0 40 DGAB CN(C)CCN1C(=S)c2cccc3cccc(c23)C1=S 26897388 WLIXDFNKSLPFTK-UHFFFAOYSA-N 300.452 3.068 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccccc1C(F)(F)F 27043939 RFGLKKKEDJKLAO-UHFFFAOYSA-N 305.259 3.439 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)c(F)c1)c1ccc2c(c1)OCO2 27685109 RDHCNZYHJPGUHX-SECBINFHSA-N 305.280 3.185 0 40 DGAB Cc1ccnc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)c1 28235724 ZOYHBRVNTAMMSP-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1cccs1 29797143 SOXFLYVMSWXKCF-LBPRGKRZSA-N 317.439 3.364 0 40 DGAB COc1cc2c(cc1CNCc1nc(C)cs1)O[C@H](C)C2 30636134 FBFHMBAJWHJKEA-LLVKDONJSA-N 304.415 3.073 0 40 DGAB CC(C)Oc1ccc(CNC(=O)c2cccnc2S)cc1 32797011 VYCZPEZRCQAISD-UHFFFAOYSA-N 302.399 3.088 0 40 DGAB Cc1cccc(C)c1N[C@@H]1CC(=O)N(c2cccc(F)c2)C1=O 36635726 SIYQLJFSTWWLHL-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc(CC)cc2)CC1 39984973 QNWMSGSFLJTQHX-UHFFFAOYSA-N 302.462 3.172 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cnn(-c2ccccc2)c1 40025186 FRNIXSPDFXPMDA-UHFFFAOYSA-N 317.392 3.334 0 40 DGAB CCc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)s2)n1 41122750 WAOUIGNHVLQFTK-NSHDSACASA-N 305.403 3.369 0 40 DGAB COCCN(Cc1ccsc1)C(=O)NCc1cccs1 42382281 CIBGVYAPQVICPY-UHFFFAOYSA-N 310.444 3.168 0 40 DGAB Cc1cccc(C)c1NC(=O)C(=O)NC[C@@H](C)c1ccccc1 42646653 KKZNEPJKKLYVMF-OAHLLOKOSA-N 310.397 3.162 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)[nH]c3c2)o1 44755368 IKZJIJLDQVKDBT-GHHAPQSHSA-N 324.336 3.489 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1cccnc1 44889733 SMFWDOGNXDJIBI-HNNXBMFYSA-N 314.389 3.023 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)N(C)C3CCCCC3)cn2)n1 44917060 JWXCUQLWGIBINU-UHFFFAOYSA-N 312.417 3.289 0 40 DGAB CCc1c(C)sc2nc(Cc3csc(C)n3)[nH]c(=O)c12 48412241 KAURROWWAILTJD-UHFFFAOYSA-N 305.428 3.211 0 40 DGAB CN(Cc1cscn1)C(=O)Nc1nc2ccccc2s1 49029919 LSLFBYZUSHAPRK-UHFFFAOYSA-N 304.400 3.417 0 40 DGAB C[C@@H]1CCCCN1CCCNC(=O)CSc1ccc(F)cc1 58130784 NEXREXBZBAXWAB-CQSZACIVSA-N 324.465 3.299 0 40 DGAB O=C(Nc1cccnc1-n1cncn1)c1cc2ccccc2s1 58180851 DGDNHVQEMMELHF-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)Nc1cccc2cnccc12 58314887 QKTRQIBQQLUJNN-UHFFFAOYSA-N 309.373 3.021 0 40 DGAB CC(C)CC[C@H]1CCC[C@H]1Nc1nn2c(=O)ccnc2s1 58432537 SOIWRYFGSKKSDM-VXGBXAGGSA-N 306.435 3.168 0 40 DGAB Cc1cc(NC(=O)Cc2noc3ccccc23)nc(C(C)C)n1 63440390 XJWXVLBLXVWWKL-UHFFFAOYSA-N 310.357 3.231 0 40 DGAB O=C(NCc1cc(-c2cccc(Cl)c2)no1)c1ccccn1 66089168 CFHXNABJGHXZCG-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB Cc1cc(CN2CCN([C@@H](C)c3ccccc3F)CC2)no1 69513998 PSLVRNSMVUMDMO-AWEZNQCLSA-N 303.381 3.001 0 40 DGAB CC(C)(C(=O)NCCCOCc1ccco1)c1ccccc1 71185086 UFFDVSSVUUOIRX-UHFFFAOYSA-N 301.386 3.280 0 40 DGAB CCC(CC)C(=O)NCCc1coc(-c2ccc(OC)cc2)n1 71186225 DHFMHSGYHSXRIQ-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@H]1C1CCCC1 71818541 WQHVGMSVGAKITF-SFHVURJKSA-N 324.428 3.121 0 40 DGAB CC(C)(C)c1nc(CN[C@H]2CCCc3[nH]c(=O)ccc32)cs1 71837200 YAIZSVALXHJFQW-ZDUSSCGKSA-N 317.458 3.296 0 40 DGAB CCCN1CCCC[C@H]1c1ccc(N2CCOCC2)nc1C 72219644 HZXUCJMXHCSPMM-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB O=C([C@@H]1C[C@@H]1C1CCCCC1)N1CCC[C@@H](c2ccn[nH]2)C1 72295611 COCHEVARDYXQAW-BZUAXINKSA-N 301.434 3.332 0 40 DGAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccccn1 72405330 UHRTUYXRFKQYJP-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)C2=CCCCO2)c2cccnc2)cc1 73731520 VZWIHLPIIKZRRW-GOSISDBHSA-N 322.408 3.484 0 40 DGAB CCc1n[nH]c(NC(=O)[C@H]2C[C@H]2c2ccco2)c1Br 75093051 FMYQLRWTRUIKIR-SFYZADRCSA-N 324.178 3.070 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)Cc1cccs1 75129893 ICQXMRYMNAKOOP-AWEZNQCLSA-N 303.431 3.005 0 40 DGAB CC(C)Nc1cccc(C(=O)NC[C@@H](O)c2cccc(F)c2)c1 75136665 SQGFIZTZUKLYBO-QGZVFWFLSA-N 316.376 3.109 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2ccsc2)CC1 75157114 LXQQLKDOPUJMCK-UHFFFAOYSA-N 315.394 3.497 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@H](C)C[C@H]1c1ccco1 75387521 PDLATOHQVOOIDP-JSGCOSHPSA-N 301.390 3.418 0 40 DGAB Cc1cc(C(=O)NCCCOC2CCOCC2)c(C)n1C(C)C 76022864 RPUJACKAGXBPMT-UHFFFAOYSA-N 322.449 3.001 0 40 DGAB CCC(C)(C)NC(=O)CN1c2ccccc2N(C)CC[C@@H]1C 76093219 IYQVINRZRODTFE-AWEZNQCLSA-N 303.450 3.026 0 40 DGAB COc1ccc(S[C@H](C)C(=O)Nc2ccc(Cl)nn2)cc1 79040350 RCVKLYUIGPIQMO-SECBINFHSA-N 323.805 3.258 0 40 DGAB O=C(Nc1nc2ncccc2[nH]1)[C@H]1C[C@@H]1c1ccc(Cl)cc1 79112704 LICWBOZRQWUUJK-NEPJUHHUSA-N 312.760 3.354 0 40 DGAB CC(C)c1ocnc1C(=O)N(C[C@@H]1CCCO1)c1ccncc1 79310439 ZNLSWUOXLAEEEH-AWEZNQCLSA-N 315.373 3.019 0 40 DGAB Cc1ccc(F)c(NC(=O)N[C@@H](C)C(=O)OC2CCCC2)c1 81601982 CUIAHOPBDOGRLC-NSHDSACASA-N 308.353 3.130 0 40 DGAB CCc1nc(C)ncc1C(=O)N1C[C@H](C)CN(C)c2ccccc21 89280341 QGCQEFIDTCEENI-CYBMUJFWSA-N 324.428 3.080 0 40 DGAB COCCn1nc(C)c(NC(=O)c2ccc(Cl)cc2)c1C 89520827 QTMZBRSXIKELSX-UHFFFAOYSA-N 307.781 3.052 0 40 DGAB Nc1nc(Cl)cc(N[C@H]2CCCC[C@H]2OC2CCCC2)n1 89646479 QKTCFIWBRAFGFE-NWDGAFQWSA-N 310.829 3.395 0 40 DGAB CCCOc1cc(F)ccc1NC(=O)C1SCCS1 89960266 KANUNQYXGZDTAB-UHFFFAOYSA-N 301.408 3.359 0 40 DGAB Cc1ccc(CN2CCC(NC(=O)Nc3ccccc3)CC2)o1 92480348 PXNKIEUPABJDQC-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB COc1cc(CN2C[C@H]3CC=CC[C@@H]3C2)cc(OC)c1OC 93590724 KAXIULCRKAVSNB-HUUCEWRRSA-N 303.402 3.110 0 40 DGAB CCOC(=O)N1CCc2cc(N[C@H](C)c3nnc(C)o3)ccc21 95395916 HBYUVCANYOIOCI-SNVBAGLBSA-N 316.361 3.070 0 40 DGAB CC1(C)CN(C(=O)c2ccnc(-n3ccnc3)c2)c2ccccc21 95411854 FSAUZBACMDGZQU-UHFFFAOYSA-N 318.380 3.205 0 40 DGAB COc1ccsc1C(=O)N(CCc1nccs1)C(C)C 95436478 GCHACMGBJFRRJK-UHFFFAOYSA-N 310.444 3.307 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2cccc(OC(F)(F)F)c2)o1 95966944 JTVSJAFAHISYPS-SSDOTTSWSA-N 316.235 3.195 0 40 DGAB Cc1nnc([C@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)o1 95981640 BCWNZMIFYJBPSS-CQSZACIVSA-N 315.373 3.413 0 40 DGAB CSc1ccccc1C(=O)Nc1cnn(C2CCOCC2)c1 96104604 DYXZXBKUZWFRBU-UHFFFAOYSA-N 317.414 3.209 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccc(C)nc2)C[C@@H]1Cc1ccccc1 96110160 KAGVWFCXIUJYJQ-RBUKOAKNSA-N 324.424 3.110 0 40 DGAB CC1CCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)CC1 96192912 SSUPQMKXSYWTSX-KRWDZBQOSA-N 320.820 3.482 0 40 DGAB CCN(C)c1ccccc1NC(=O)N1CC[C@H](CSC)C1 96418089 KYZUOWAQXWCENF-ZDUSSCGKSA-N 307.463 3.360 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@H](CCO)C2CC2)c1 96421959 XVYARHHXEFFTQI-IAQYHMDHSA-N 308.447 3.393 0 40 DGAB CCS(=O)(=O)CCCSc1nc2cc(Cl)ccc2o1 96422206 AWIQNMHUVGBYPO-UHFFFAOYSA-N 319.835 3.398 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445208 HHOFTCUMIZPAMP-FZMZJTMJSA-N 300.333 3.394 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)CCc2c(C)nn(C)c2C)C1 96451502 FVQHKMAGGRNKDS-HUUCEWRRSA-N 323.506 3.150 0 40 DGAB Cc1ncn(C[C@H](C)Nc2ccc(N3CCCC3=O)cc2)c1C 97037109 WKOIZGURQHWXST-ZDUSSCGKSA-N 312.417 3.127 0 40 DGAB CCc1ccsc1CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 97378464 ZCXGTFJWRRBMDT-KBPBESRZSA-N 308.447 3.067 0 40 DGAB C1=C(c2cccs2)Nc2ncnn2[C@@H]1c1ccc2c(c1)OCO2 100835159 NKHJGMJYPLUMHC-LBPRGKRZSA-N 324.365 3.124 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1 100985884 XNRLFPSCORQYDF-MRXNPFEDSA-N 307.332 3.177 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2 103097152 LNDBOYAKFWSGQU-FPCVCCKLSA-N 317.429 3.405 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H]1CC[C@H](O)C1 189701217 VDJIMQWLLQITTH-ZBFHGGJFSA-N 320.433 3.203 0 40 DGAB Cc1cc(NC(=S)NC(C)(C)C)ncc1Br 223881439 MCMGHQGPSTVLIK-UHFFFAOYSA-N 302.241 3.237 0 40 DGAB CN(C)[C@@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225150259 BPWHWTYZPXSSTH-HNNXBMFYSA-N 301.411 3.395 0 40 DGAB CC[C@H](C)NC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 225273931 GTYBQUCVFVJSBD-ZDUSSCGKSA-N 319.474 3.398 0 40 DGAB O=C(N[C@@H](c1cncc(Br)c1)C1CC1)c1ccoc1 225472139 IXJZTFNZMQQPCN-CYBMUJFWSA-N 321.174 3.318 0 40 DGAB Cc1cc(CNC(=O)c2ccc3[nH]c(Cl)nc3c2)c(C)n1C 225985288 GKGAQYQOISILAR-UHFFFAOYSA-N 316.792 3.102 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC[C@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O 239562574 CSOPPJRLYYLIIJ-BEELOAJOSA-N 302.414 3.155 0 40 DGAB CC(=O)Oc1nc(N(C(C)=O)c2ccc(F)cc2)sc1C 256055582 MBIFLMJCATYYDC-UHFFFAOYSA-N 308.334 3.201 0 40 DGAB O=C(c1cc[nH]n1)N1CCC(Cc2ccc3ncccc3c2)CC1 257310519 UFKCJEGJKXWJBV-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB C[C@@H](NCc1cnn(C)c1)c1ccc(C(F)(F)F)nc1Cl 585086144 MKWKWBJUHMVTOD-MRVPVSSYSA-N 318.730 3.338 0 40 DGAB CC(C)(NC(=O)N[C@@H](CCCO)c1ccccc1)C(F)(F)F 585119804 VCDVDMWZCJGAGK-LBPRGKRZSA-N 318.339 3.140 0 40 DGAB O=C(Cc1c(F)cccc1Cl)NCc1cc(C2CC2)ncn1 585361060 YNSCAVHRURHTGA-UHFFFAOYSA-N 319.767 3.005 0 40 DGAB Cc1ccc2cccc(NC(=S)NC(=O)c3ccco3)c2n1 271121 SWYNUNROYPHJJE-UHFFFAOYSA-N 311.366 3.263 0 40 DGAB Cc1ccc(C(=O)N2N=C(CC(C)C)C[C@]2(O)C(F)(F)F)o1 356275 GCBFENZUJLLWSP-ZDUSSCGKSA-N 318.295 3.087 0 40 DGAB Nc1nc2n(n1)[C@@H](c1cccs1)C[C@@H](c1ccc(F)cc1)N2 12469202 DQCJFQDDEQCKCN-NWDGAFQWSA-N 315.377 3.207 0 40 DGAB CCCc1ccc(OC)cc1OS(=O)(=O)c1ccccc1 1615712 VDIJTGBYZSAAQV-UHFFFAOYSA-N 306.383 3.415 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4016527 BYXMVCRHLWBFFG-FQPOAREZSA-N 307.271 3.017 0 40 DGAB CC(C)(CNC(=O)c1cccc2cccnc12)N1CCCCC1 47531503 ICZIXFQLCJOJFD-UHFFFAOYSA-N 311.429 3.229 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cccc(F)c2)nc1C 4454333 ZGGXAIIMDXCOPP-UHFFFAOYSA-N 308.334 3.020 0 40 DGAB Cc1nc2ccc(C(=O)OCC(=O)c3ccccc3)cc2nc1C 6848041 XJZJLWXTOOMBOU-UHFFFAOYSA-N 320.348 3.286 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)CCOCC(C)C)cc1 54312144 IDLWZCCUJFMTKY-UHFFFAOYSA-N 322.405 3.281 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)N[C@@H]1CCCC[C@@H]1C 8268773 WLSCLJJEZLVYFG-GXTWGEPZSA-N 320.458 3.432 0 40 DGAB CN(CC12CC3CC(CC(C3)C1)C2)C(=O)Nc1nncs1 43127922 YMFIWFBAYYXHDJ-UHFFFAOYSA-N 306.435 3.218 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc(F)c(Cl)c2)cn1 43268785 FFRQKSXBVFDKGL-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB Cc1sc2nc(CC(=O)c3ccccc3F)[nH]c(=O)c2c1C 55493066 SJRKJAGFTLJGNV-UHFFFAOYSA-N 316.357 3.166 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C 43832268 UCVLOYAMAQMWNK-SMDDNHRTSA-N 324.446 3.099 0 40 DGAB NC(=O)[C@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 26225285 LEFBGIPBEDOEJL-CQSZACIVSA-N 308.303 3.022 0 40 DGAB Cc1cc2nc(COc3cccc(C(F)(F)F)c3)cc(=O)n2o1 20332344 TWJHOCQOMYCIMV-UHFFFAOYSA-N 324.258 3.194 0 40 DGAB CCCCCC(=O)NC(=S)NC1C2CC3CC(C2)CC1C3 1858083 KYLITGQQDLYBCT-UHFFFAOYSA-N 308.491 3.382 0 40 DGAB Cc1nc(CS(=O)(=O)C23CC4CC(CC(C4)C2)C3)cs1 48365631 FMSDCNWZEPWUGO-UHFFFAOYSA-N 311.472 3.335 0 40 DGAB CCc1cc(C(=O)NCCc2ccccc2)c2c(C)noc2n1 36621626 XHTYHVHWMNIDBE-UHFFFAOYSA-N 309.369 3.066 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1ccc(F)cc1 11593660 XFPPDNZALUTJGL-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1nccs1)CC3 11851923 WOZSOGDCRSCUOS-UHFFFAOYSA-N 306.346 3.196 0 40 DGAB O=C(CCCNC(=O)c1ccsc1)Nc1cccc(F)c1 12997638 MNFXHJCJZJFYLR-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB COc1cc(N)c(C(=O)Nc2cccc(Cl)c2)cc1OC 21061141 FMPVOIHGSFQBGK-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cn1c(CN(C[C@H]2CCCO2)C2CCCC2)nc2ccccc21 72716237 PIHQZLUJGWPLMT-MRXNPFEDSA-N 313.445 3.497 0 40 DGAB CC1CCN(C(=O)CCc2nc(-c3ccc(F)cc3)no2)CC1 6395759 KZFSHAOITBACJP-UHFFFAOYSA-N 317.364 3.067 0 40 DGAB COc1ccc(OC)c(/C=C2\N=C(c3ccc(C)cc3)OC2=O)c1 4471624 MNYMOMPFJRTKDZ-WJDWOHSUSA-N 323.348 3.357 0 40 DGAB Cc1c(C(=O)N(CC(N)=O)C2CCCC2)sc2ccccc12 65536867 AEBHYQHLRQSZMQ-UHFFFAOYSA-N 316.426 3.080 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCCC2=O)cc1 65837894 AHDLNHSKZOANFP-HUUCEWRRSA-N 312.413 3.347 0 40 DGAB CC(=O)Nc1ccc(F)c(-c2nc([C@@H]3CCCCCN3)no2)c1 96001540 IQKHKYKIUMHZDN-AWEZNQCLSA-N 318.352 3.039 0 40 DGAB CC(C)n1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)cn1 66386060 TZYXASOXWYYTGV-QGZVFWFLSA-N 312.417 3.067 0 40 DGAB COc1ccc(-c2nc3c4ccccc4nc(S)n3n2)cc1 6758984 TULIPEXACJANLW-UHFFFAOYSA-N 308.366 3.242 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)ccc2=O)c(C)c1 6764192 SDNAYEHJFQGPON-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCCCCC3)c12 14898455 FJWHBBIGNHCSQM-UHFFFAOYSA-N 312.417 3.170 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1ccc(N2CCCC2=O)cc1 15004690 FXGKLGZHANSUJC-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)NCCc1ccccn1 9322867 LCDSXZNXEVSSLF-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB Cc1nc2cc(NC(=O)c3ccc4nccnc4c3)ccc2o1 15578218 GHCROMMNCKXVGZ-UHFFFAOYSA-N 304.309 3.332 0 40 DGAB COc1cccc(F)c1[C@H](C)NC(=O)N(C)Cc1ccncc1 80479436 CBDBHPCBCGIDMA-LBPRGKRZSA-N 317.364 3.132 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2C)cc1F 8259521 JHCCIIIAXNGWBT-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CON(C)C(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 69415672 PPIBGEOJZFRFNF-UHFFFAOYSA-N 316.304 3.462 0 40 DGAB O=C(CN1CC[C@H](c2ccccc2)C1)N1CCc2ccccc21 69581958 YZKQPKBCVOXTTC-SFHVURJKSA-N 306.409 3.065 0 40 DGAB COc1cccc(CCCNC(=O)N[C@H](C)c2nccs2)c1 71879891 ZGPSBAPZRAPDHY-GFCCVEGCSA-N 319.430 3.145 0 40 DGAB Cc1noc([C@@H](C)Nc2ccc(OCC(F)(F)F)cc2)n1 69897228 RXQSJXBUBUKQNV-MRVPVSSYSA-N 301.268 3.492 0 40 DGAB O=C(NCCCCNc1ccccn1)c1ccccc1Cl 69814313 SRNFOTUFHMYPBN-UHFFFAOYSA-N 303.793 3.357 0 40 DGAB C[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc2c(c1)OCO2 8764345 FGCOKZXCUORMJE-GFCCVEGCSA-N 322.364 3.258 0 40 DGAB biogenic CCCN1C(=O)/C(=C/c2ccc(Cl)cc2Cl)NC1=S 409081135 OVAYWXBIRBQMRX-WDZFZDKYSA-N 315.225 3.461 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F 95410455 ZQBGHHMWLOJLDG-BMFZPTHFSA-N 319.424 3.073 0 40 DGAB O[C@@H](CN(Cc1ccccc1)C[C@H]1CCOC1)c1cccs1 88604414 BYZJGJKXEWJCCS-SJORKVTESA-N 317.454 3.320 0 40 DGAB C[C@@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)n1cccc1 89478520 JZIYYBZKROFQRQ-AWEZNQCLSA-N 300.377 3.426 0 40 DGAB Cc1cccc(-c2cncc(C(=O)N(C)Cc3nccn3C)c2)c1 89678006 HAZYBMZLYSQCSK-UHFFFAOYSA-N 320.396 3.063 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)[C@@H]1CCCN1C1CCCC1 89827698 GMGFLZUEHDPSIJ-SFHVURJKSA-N 312.457 3.241 0 40 DGAB C[C@H]1CN([C@@H](CN)c2ccc(Cl)cc2Cl)C[C@H](C)O1 36108194 SUZPBBSUTBAACQ-BHDSKKPTSA-N 303.233 3.102 0 40 DGAB CC(C)c1cc(N2CCC[C@H]2c2nc(C(=O)O)cs2)ncn1 519161617 KCVJADWBVUNOTD-LBPRGKRZSA-N 318.402 3.096 0 40 DGAB C[C@H](Sc1ncc(C(F)(F)F)cc1Cl)c1nnnn1C 188657953 CKVPIOVTIHKNRX-YFKPBYRVSA-N 323.731 3.131 0 40 DGAB CCCCO[C@@H]1C[C@H](NC(=O)c2cccn3nccc23)C1(C)C 1543531994 BLBGLKLUZFRNHI-JKSUJKDBSA-N 315.417 3.048 0 40 DGAB CCC(=O)N1CCCCC[C@H](Nc2ccnc(C(C)(C)C)n2)C1 1049815292 RXSCRBLBNFGMGB-AWEZNQCLSA-N 318.465 3.367 0 40 DGAB O=C(CCc1ccccc1)Nc1ncn(Cc2ccc(F)cc2)n1 32648601 URICKTNHFHAJPE-UHFFFAOYSA-N 324.359 3.037 0 40 DGAB CC(C)N(Cc1nnc(-c2cccc(F)c2)o1)C1CCOCC1 72685546 FHRLTRNQIYBDMU-UHFFFAOYSA-N 319.380 3.265 0 40 DGAB CCOc1cc(CNC(=O)Cc2ccccc2F)ccc1OC 74629089 LZTKHBUWVOQHLF-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB CCC[C@](C)(NC(=O)c1csc2c1CCCC2)C(=O)OC 35249711 NHMZSMVHEQVWNE-INIZCTEOSA-N 309.431 3.089 0 40 DGAB CSCc1cccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)c1 72240346 PJPRZTAKFUPOSV-STQMWFEESA-N 313.488 3.216 0 40 DGAB c1ccc(-n2ncc3c2CCC[C@@H]3NCc2cccnc2)cc1 72243077 PLYVSZKSAQWLSA-SFHVURJKSA-N 304.397 3.435 0 40 DGAB c1ccc(CCN2CCC[C@H](c3nc4ccccc4[nH]3)C2)nc1 78922749 PJHTZOXXXCIKHO-HNNXBMFYSA-N 306.413 3.380 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1Cl 48689063 FRKQYGFRJJPIOK-BXUZGUMPSA-N 308.809 3.282 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCc3ccccc32)c(C)c1 223350337 SAXKECIUQQXXCW-UHFFFAOYSA-N 322.452 3.415 0 40 DGAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)NC(C)C 225554175 MHYARRJPNSOVHZ-ZDUSSCGKSA-N 324.852 3.382 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NC(C)C 222503551 KNPHYEBVLRHYCJ-KRWDZBQOSA-N 318.461 3.427 0 40 DGAB Cc1c([C@H]2CCCN2CCC(=O)c2ccc(F)cc2)cnn1C 195552572 WQVBIXDVAGLCQC-QGZVFWFLSA-N 315.392 3.278 0 40 DGAB O[C@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 195560794 AUNIRMAGBREALY-MOPGFXCFSA-N 323.371 3.028 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1 224618314 POJDHKKEGZFBFT-GOSISDBHSA-N 313.397 3.348 0 40 DGAB Cc1ccc(N2CCC[C@@H](Sc3nncs3)C2=O)cc1 96424828 PNTFACXRBJWGJG-GFCCVEGCSA-N 305.428 3.134 0 40 DGAB CCSc1ccccc1C(=O)Nc1cnn([C@H]2CCOC2)c1 96123105 AZAJUAQPRMJVHK-ZDUSSCGKSA-N 317.414 3.209 0 40 DGAB Cc1ccc(-c2nc(C)c([C@@H](C)N(C)S(C)(=O)=O)s2)cc1 95399855 YDJVLPVJLOLKSW-GFCCVEGCSA-N 324.471 3.379 0 40 DGAB Cc1cnn(CCC(=O)Nc2ccc(F)cc2OCC2CC2)c1 96419176 JJDYKMPXKCNTJM-UHFFFAOYSA-N 317.364 3.148 0 40 DGAB CCSC1(CN[C@H](C)c2cnn(C(C)C)c2)CCOCC1 96478237 OKKAIPBMTLCANZ-CQSZACIVSA-N 311.495 3.417 0 40 DGAB CCC(=O)N1CCC[C@@H](C(=O)N2CCCC3(CCCCC3)C2)C1 96405516 NQMVICOOBAGHNZ-MRXNPFEDSA-N 320.477 3.208 0 40 DGAB COc1ccc(Cl)cc1CCNC(=O)[C@H]1CCC(=O)C[C@@H]1C 95449648 AASSRAZVNCQJBW-NHYWBVRUSA-N 323.820 3.013 0 40 DGAB Cc1ccnc([C@@H]2CCN(Cc3cn(C)c4ccccc34)C2)n1 257234966 GVUSMAYNLZYKPL-OAHLLOKOSA-N 306.413 3.266 0 40 DGAB CC(=O)N1CCCC[C@H]1c1ncc(Cc2ccccc2F)o1 257326674 WYDZPDMOEJWZCW-INIZCTEOSA-N 302.349 3.478 0 40 DGAB Cc1ccc(CS(=O)(=O)Cc2ncccc2Cl)c(C)c1 530146500 ASKKSYDPQGZMSP-UHFFFAOYSA-N 309.818 3.467 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)n1C 69571316 YKMUTEFABBPRDA-MRXNPFEDSA-N 318.804 3.201 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1 97378730 FCKRYRKNYLOTST-LRDDRELGSA-N 317.364 3.081 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1ncccn1 585131256 QEUZDHYKUVFYDV-AWEZNQCLSA-N 301.777 3.036 0 40 DGAB COc1cc(Br)c2oc(OC(F)(F)F)nc2c1 169805272 TWQRLDXCHPMTHY-UHFFFAOYSA-N 312.041 3.498 0 40 DGAB C[C@H](CCS(C)(=O)=O)N[C@H](C)c1cc2ccccc2s1 188158167 ZMBNVSAEEDDTAS-VXGBXAGGSA-N 311.472 3.375 0 40 DGAB COC(=O)c1cc(F)cc(Br)c1Br 160777879 MCONUBOCIZKOQO-UHFFFAOYSA-N 311.932 3.137 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)Nc1cccc(C)c1C 12552649 QDTDBLUVYUETJX-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CN(C)CC/C=C1/c2ccccc2COc2ccc(CCO)cc21 13455805 ZKOHNNRBHUBCOD-UWVJOHFNSA-N 323.436 3.497 0 40 DGAB in-vitro C[C@@H](Oc1ccc(F)cc1)C(=O)NCCCc1ccccc1 13667988 LDBBLALAQMJJTO-CQSZACIVSA-N 301.361 3.342 0 40 DGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 16213816 GJCLPVZFTOXSHD-OWLDWWDNSA-N 317.772 3.050 0 40 DGAB O=C(Nc1ccc(C2=NCCO2)cc1)c1cccc(Cl)c1 16398815 YHFWYRKTWUUKKT-UHFFFAOYSA-N 300.745 3.369 0 40 DGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@H](NC(=O)C2CC2)C1 12221135 GRDNDKZCDASYQJ-MRXNPFEDSA-N 322.412 3.078 0 40 DGAB Cc1nc([C@@H]2CCCN(CC3(CC(=O)O)CC3)C2)sc1C 579967500 MSJVDASGJXBGOC-CYBMUJFWSA-N 308.447 3.194 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)c1cc2ccccc2c(=O)o1 4179494 ASGSNLNPNZZMRQ-UHFFFAOYSA-N 323.392 3.492 0 40 DGAB O=C(CNc1ncnc2sccc12)Nc1ccc(F)c(F)c1 8063250 POCBTOPQUWYPPH-UHFFFAOYSA-N 320.324 3.020 0 40 DGAB CC(C)c1nsc(N2CCC(N(C)c3ccccn3)CC2)n1 1889091568 HNKKQHVODYBEJW-UHFFFAOYSA-N 317.462 3.162 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cc3nc(C)ccc3o2)c1 8798754 CIGNPSCAEUQHNS-UHFFFAOYSA-N 309.325 3.347 0 40 DGAB CCOc1ccccc1CNc1nccc(-n2nc(C)cc2C)n1 49411589 PLGRBFPDOAHGLH-UHFFFAOYSA-N 323.400 3.290 0 40 DGAB O=C(NC(=S)N1CCCc2ccccc21)C1CCCCC1 358912 PFYBQBJGPSVKHU-UHFFFAOYSA-N 302.443 3.421 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc3ccn(C)c3c2)cc1 40268110 ITVOZRMTJRYERY-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB CN1C(=O)C[C@@H](c2c(-c3ccccc3)[nH]c3ccccc23)C1=O 101504516 DEEDQVMGTFKCDU-AWEZNQCLSA-N 304.349 3.307 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccnc(Cl)c2)c(C)c1 21742910 KNGQGPVEFZOMFC-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Clc1ccc(COc2ccc(CNn3cnnc3)cc2)cc1 32383 RXRSFOIZNJAJAV-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB Cc1ccc(NC(=O)CCN2CCN(c3ccccc3)CC2)cc1 49941 OTWWFLPZFHQNBN-UHFFFAOYSA-N 323.440 3.146 0 40 DGAB Clc1ccc2[nH]c3c(NC[C@H]4CCCO4)ncnc3c2c1 543377 SLQVDLGEKFUAAU-SNVBAGLBSA-N 302.765 3.355 0 40 DGAB Nc1nc2nccc(-c3ccc(Oc4ccccc4)cc3)n2n1 1382396 MSWNBKBRRLSEKL-UHFFFAOYSA-N 303.325 3.166 0 40 DGAB CCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2090435 AEPPTRQSNRNDPG-HNNXBMFYSA-N 307.390 3.095 0 40 DGAB biogenic COc1ccc(-c2coc3c(OC)c(OC)ccc3c2=O)cc1 2566743 CRZCBRQLDFFZHO-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic,in-vitro Cc1ccc(NC(=O)c2nnn(-c3cccc(F)c3)c2C)cc1 2713221 OPOZWVJSAPZLIA-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB COc1ccc(OCC(=O)N[C@H](C)CCc2ccccc2)cc1 3209367 RCZKZZWDPBJWCV-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB O=C(CCC(=O)c1cccs1)OCC(=O)c1ccc(F)cc1 3249931 LEXKPEOHJLKGGB-UHFFFAOYSA-N 320.341 3.276 0 40 DGAB COc1ccccc1C(=O)COC(=O)[C@]1(C)CC1(Cl)Cl 3357049 DMJDGKMBAWVFIJ-ZDUSSCGKSA-N 317.168 3.005 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2cccc(C)c2C)c1 3539821 VFYGIMBBFLHPEA-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB COc1ccc(/C=C2/CCn3c2nc2ccccc2c3=O)cc1 4026480 KFHJOCOCCHCPTB-OWBHPGMISA-N 304.349 3.349 0 40 DGAB biogenic CC(C)C(=O)Nc1cccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 4722510 LXDGMHVSPMKNBY-OKILXGFUSA-N 302.418 3.399 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)NC3CCCCC3)n2)cc1 4920705 IAOQMTKEHVUVJC-UHFFFAOYSA-N 313.401 3.427 0 40 DGAB O=C(COc1cccc(Cl)c1)Nc1nc2ccccc2[nH]1 5263145 BCIYAAYRGCUYFZ-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB O=C(CN1C(=O)c2ccccc2C1=O)c1ccc2c(c1)CCCC2 6383805 QQOSYEWSKMUKAU-UHFFFAOYSA-N 319.360 3.044 0 40 DGAB CCOc1ccc(Oc2ccc(NC(=O)COC)cc2)cc1 6649857 BGVHJBGWVZMMCW-UHFFFAOYSA-N 301.342 3.463 0 40 DGAB COCCNC(=S)Nc1cccc(-c2csc(C)n2)c1 7101725 MWTAPEOOGYYUJQ-UHFFFAOYSA-N 307.444 3.051 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccnc2)c(C)c1 7146746 QEGGWMNIQSHUTK-AWEZNQCLSA-N 304.415 3.046 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@H]2CCCC[C@@H]21 7687935 RJXOKTQFUBBDIW-GJZGRUSLSA-N 323.458 3.347 0 40 DGAB COc1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1OC 8333782 VTMGHYJLPDWMRB-UHFFFAOYSA-N 322.386 3.039 0 40 DGAB C[C@@H](C(=O)NCCO)c1ccc2c(c1)[nH]c1ccc(Cl)cc12 9419480 VHSPYAVLNLXEMN-SNVBAGLBSA-N 316.788 3.187 0 40 DGAB O=C(COc1cccc(Br)c1)Nc1ccccc1O 9478440 CYFNWBVSWYOKJV-UHFFFAOYSA-N 322.158 3.172 0 40 DGAB COc1ccc(C)cc1CC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 12539224 IZZLWFNLULYIAU-ZDUSSCGKSA-N 323.396 3.300 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 12924489 YOMHHLRKIVSOOT-IUODEOHRSA-N 324.833 3.041 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)NCc1ccc2c(c1)OCO2 13003502 QKODCLFNKCWEHN-UHFFFAOYSA-N 323.392 3.153 0 40 DGAB CC(=O)Nc1nc2ccc(C(=O)NCCC(C)C)cc2s1 13685395 GBYZHJADVJMREL-UHFFFAOYSA-N 305.403 3.031 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2nnc(C)s2)cc1Cl 14015702 DKUQBLMPEIAYQO-GQCTYLIASA-N 309.778 3.160 0 40 DGAB Cc1nc(S[C@@H]2C[C@@H](C)OC2=O)c2c3c(sc2n1)CCC3 14076375 OMXJHQIYRJEMIY-RDDDGLTNSA-N 320.439 3.285 0 40 DGAB CCc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2)cc1 14219100 MPZFQXWIBCVPMW-AWEZNQCLSA-N 303.427 3.430 0 40 DGAB CCN1CCc2nc(NC(=O)c3cccc(C)c3)sc2C1 15880156 GWELKMVAUHJEBH-UHFFFAOYSA-N 301.415 3.082 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)Cc2cccc(C)c2)cc1 20104465 OCNGHLFSSJOPNU-UHFFFAOYSA-N 303.427 3.265 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2cccc(C(=O)O)c2C)c1 20144072 PNZBDRGXBWWPFT-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCC2(c3ccccc3)CC2)c1C 21524105 LGBMFQFEECEDNX-UHFFFAOYSA-N 310.397 3.296 0 40 DGAB Fc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@@H]2C3)CC1 22575349 MPKNCPVSEPNVPJ-JZXOWHBKSA-N 300.421 3.156 0 40 DGAB Cc1cc([C@H](C)NC(=O)CCNC(=O)C2CCCC2)c(C)s1 25015447 BTNPFZZHUJYSOH-LBPRGKRZSA-N 322.474 3.239 0 40 DGAB CC(C)c1noc([C@@H](C)Sc2nnc(-c3cccnc3)o2)n1 27778100 HUHYQYDUKSSNKC-SECBINFHSA-N 317.374 3.491 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2cccc3cccnc23)cc1 29468362 ORMMHLHJBWBAQE-UHFFFAOYSA-N 306.321 3.412 0 40 DGAB Cc1csc(CNC(=O)C2=Cc3cc(Cl)ccc3OC2)n1 40049235 XARNFKFCRJPCTR-UHFFFAOYSA-N 320.801 3.197 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1nc(C)c(C)s1 40460910 YEYKQIAAVPFXRQ-UHFFFAOYSA-N 318.398 3.152 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)NC2CCC(C)CC2)cc1 43953191 VFPXWYZYEBUIRN-UHFFFAOYSA-N 324.446 3.180 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc(Cl)s1)[C@H]1CCCO1 44910449 HLSKJVRIIXVMRU-MWLCHTKSSA-N 302.827 3.110 0 40 DGAB CC(C)(C)n1cc(CNCc2cn3cc(Cl)ccc3n2)cn1 48710968 UOAVGYRVHWPGKC-UHFFFAOYSA-N 317.824 3.229 0 40 DGAB CCc1nc(CC(=O)N2CCc3sccc3[C@@H]2C)cs1 48968514 NHUTVZNGHXGKPO-JTQLQIEISA-N 306.456 3.455 0 40 DGAB Nc1nc(Cl)cc(N2CCC[C@@H]2CCc2ccccc2)n1 52454227 XNBFYPKUKFMGBD-CYBMUJFWSA-N 302.809 3.314 0 40 DGAB CN(C)c1ccc(C(=O)O[C@H]2CCc3ccccc3C2=O)cc1 54362851 QTMFMUQRGWTOOD-KRWDZBQOSA-N 309.365 3.107 0 40 DGAB Cc1nn(-c2nc3c(C)ccc(C)c3s2)c(C)c1C(=O)O 57351377 YWFRHOQZZVTODT-UHFFFAOYSA-N 301.371 3.414 0 40 DGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)NC[C@@H]1CCCO1 58054903 SYHOWVCKOCTDMV-YOEHRIQHSA-N 302.418 3.176 0 40 DGAB CSc1cccc(N(C)CC(=O)NCc2cccs2)c1 58308142 UYTKNUIEFAXFMG-UHFFFAOYSA-N 306.456 3.223 0 40 DGAB COc1cc2c(cc1O)NC(=O)C[C@H]2COCc1ccccc1 65374129 RMCLPLNASFGYMI-ZDUSSCGKSA-N 313.353 3.043 0 40 DGAB Cc1nc(CN(C)C(=O)Nc2ccc(N(C)C)cc2C)cs1 65409162 PNZVJFNIDUIZDE-UHFFFAOYSA-N 318.446 3.490 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)N3CCCCC3)cc2F)n1 66370100 ARKKJRALRGTZKJ-UHFFFAOYSA-N 301.365 3.254 0 40 DGAB O=C(NC1CCCCCC1)c1[nH]nnc1Nc1ccccc1F 67283719 KJZOIHBCEDOLRV-UHFFFAOYSA-N 317.368 3.140 0 40 DGAB Cc1ccc(NC(=O)NCc2ccncc2)cc1OCC(F)F 69808774 LLVRXPOKPQSYMG-UHFFFAOYSA-N 321.327 3.356 0 40 DGAB CC(=O)N1CCc2ccccc2[C@H]1CC(=O)N[C@@H](C)C(C)(C)C 69818236 YQZFKJCDPQTDRJ-SUMWQHHRSA-N 316.445 3.073 0 40 DGAB COc1ccc(CNC(=N)Nc2ccc(OC)c(F)c2)cc1C 71847271 TUAPQKYNRSNNGY-UHFFFAOYSA-N 317.364 3.288 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(F)c1 71859102 VOGNTIAYRMQYOE-XMHCIUCPSA-N 319.401 3.126 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)N1CCCC1 71886623 KYABKCOEQBSQAM-ZDUSSCGKSA-N 308.353 3.011 0 40 DGAB CC(C)(C)OC(=O)N1CCC(n2cc3ncccc3n2)CC1 72233683 FPKUCCNXXZHNMZ-UHFFFAOYSA-N 302.378 3.003 0 40 DGAB CCn1nc(C)c(NC(=O)Cn2c(C)cc3ccccc32)c1C 72243197 HOWKOUUNPGSZMU-UHFFFAOYSA-N 310.401 3.422 0 40 DGAB COc1cccc(Oc2ncccc2CNC(=O)c2ccc[nH]2)c1 72294815 RWQNBKHWJKSQEQ-UHFFFAOYSA-N 323.352 3.141 0 40 DGAB Cc1ccc(C(=O)N[C@H](CC(F)(F)F)c2ccccc2)c(=O)[nH]1 75120715 AMLFZAWFLREJAL-CYBMUJFWSA-N 324.302 3.107 0 40 DGAB CC(C)C(=O)N1CC[C@H](NCc2cccc3[nH]ccc23)[C@@H](C)C1 76057571 LIYAOAANQPSUKT-YOEHRIQHSA-N 313.445 3.151 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccc(Cl)cc3)ccc2N1 78403902 BUXMXRRYWPSKRT-JTQLQIEISA-N 322.817 3.497 0 40 DGAB Cc1ccc2c(c1)OCCN2C(=O)c1ccc(-n2ccnc2)cc1 78874669 KVXDVFAZQQOVIY-UHFFFAOYSA-N 319.364 3.220 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc3nncn3c2)[C@@H]1c1cccc(F)c1 84697775 NJWCORGVTGCKNK-SJCJKPOMSA-N 324.359 3.092 0 40 DGAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1ccc2[nH]ccc2c1 95393245 VFLIVAZIPZBNOS-MRXNPFEDSA-N 310.401 3.209 0 40 DGAB COc1ccc(NC(=O)C[C@H](C)NCc2ccsc2)cc1 95420300 GARNRVZCJTVCFX-LBPRGKRZSA-N 304.415 3.264 0 40 DGAB Cc1ccc(CN(C)C)cc1NCc1ccc([S@@](C)=O)cc1 95429318 QQGMRXPAVWNXOB-QFIPXVFZSA-N 316.470 3.406 0 40 DGAB O[C@@H](CCC1OCCCO1)c1ccc(Br)cc1 95728416 XUQFXAHEXAVZAU-LBPRGKRZSA-N 301.180 3.026 0 40 DGAB CNc1ncc(C(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)s1 95978690 ILEZEKUDCVXOJC-LBPRGKRZSA-N 323.368 3.440 0 40 DGAB CC(C)(C)c1ncsc1C(=O)N1CCC[C@H](CCC(=O)O)C1 95992005 HRQDGQLLQSOSDZ-LLVKDONJSA-N 324.446 3.158 0 40 DGAB CO[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 96388015 KKYSHWVSUPFHNH-HNNXBMFYSA-N 309.287 3.221 0 40 DGAB CCSCc1csc(-c2ccc(S(C)(=O)=O)cc2)n1 96403856 FIGMZLGLXXRTHD-UHFFFAOYSA-N 313.469 3.467 0 40 DGAB Cc1nc2cc(NC(=O)NC[C@@H](O)c3ccsc3)ccc2o1 96478166 NSFWFYHTSGFARL-CYBMUJFWSA-N 317.370 3.053 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@@H]2CC(C)(C)Cc3occc32)C1 96479350 XKSOWUJRVZZBFR-DZGCQCFKSA-N 304.434 3.140 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H]1C[C@@H]1c1ccccc1 96486112 IRHSTXGBFHZAEQ-CABCVRRESA-N 316.401 3.175 0 40 DGAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@@H]1CCSC1 96499646 OVWNRSAXHPOXHO-LDYMZIIASA-N 307.385 3.218 0 40 DGAB C[C@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1 97022775 BJQGMWIUIVXSAL-QMMMGPOBSA-N 310.184 3.462 0 40 DGAB OCc1ccc(CN[C@H]2CCCOc3c(Cl)cccc32)o1 97035196 PAFQEXXWVNZPGR-HNNXBMFYSA-N 307.777 3.429 0 40 DGAB Cc1n[nH]c(C)c1CNc1nn2cc(C(C)(C)C)nc2s1 97160208 PUURCMLHWAFXSA-UHFFFAOYSA-N 304.423 3.040 0 40 DGAB CCCCOc1ccccc1CN1CCOC2(CCOCC2)C1 97162175 KIGLBCQMKVAFMM-UHFFFAOYSA-N 319.445 3.247 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@H]([C@@H](C)O)C1)c1cccs1 97372690 TUFSJPBLLJZTTK-RDBSUJKOSA-N 310.463 3.248 0 40 DGAB O=C1C[C@H](Nc2cccc(Cl)c2)C(=O)N1Cc1ccccc1 102295790 XHGYAJCACLKJKH-HNNXBMFYSA-N 314.772 3.080 0 40 DGAB O=C(/C=C\NC(=O)OCc1ccccc1)OCc1ccccc1 104309405 HDUHFEQMNKWXKK-QXMHVHEDSA-N 311.337 3.170 0 40 DGAB CO[C@@H](CNC(=O)Cc1ccsc1)c1ccccc1Cl 121856800 VUFRIYKUHRCLIN-AWEZNQCLSA-N 309.818 3.448 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@H]1CC[C@H](O)C1 189701238 VDJIMQWLLQITTH-HOCLYGCPSA-N 320.433 3.203 0 40 DGAB C[C@@H](N)[C@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 195536814 TXKJOAZUDIPSSL-ZJUUUORDSA-N 318.314 3.044 0 40 DGAB Fc1ccc([C@H](NCC[C@@H]2CCCO2)c2ccccc2)nc1 195560614 KZGQKDTVRXWEDA-FUHWJXTLSA-N 300.377 3.469 0 40 DGAB CC(C)n1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C)c1 222726603 GEIKJFUVYUWXMQ-LSDHHAIUSA-N 300.431 3.066 0 40 DGAB CCc1ccccc1NC(=O)Nc1cnc(N2CCCC2)nc1 224262763 ZSGYYSIOQMOPEU-UHFFFAOYSA-N 311.389 3.283 0 40 DGAB C1=CO[C@@H](CN(CCOc2ccccc2)C2CCOCC2)CC1 225585568 GITMGTZOSCLKOB-LJQANCHMSA-N 317.429 3.239 0 40 DGAB c1ccc(CO[C@H]2CCCC[C@@H]2N2CCN[C@@H]3CCC[C@@H]32)cc1 225718024 AOIYHYXUOPSXOB-FYQPLNBISA-N 314.473 3.341 0 40 DGAB CC[C@@H](C)n1ccc(NCc2cn(C)nc2C(F)(F)F)n1 256049911 BYOYMWWPBLXKFS-SECBINFHSA-N 301.316 3.219 0 40 DGAB CC(C)Oc1ccc([C@H]2CNCCN2Cc2cscn2)cc1 257287522 PQHZAWUJYBKEAD-QGZVFWFLSA-N 317.458 3.077 0 40 DGAB C=CC(=O)N1CCC[C@@H](Cc2ccnc(Nc3ccccn3)c2)C1 585291708 FFWBFVHURRPQRM-INIZCTEOSA-N 322.412 3.187 0 40 DGAB O=C(N[C@@H]1CCC12CCOCC2)c1cccc(Br)c1 585410038 ZGNRTJPVDITHQN-CYBMUJFWSA-N 324.218 3.138 0 40 DGAB O=C1CCC2(CCN(CCc3ccccc3)CC2)N1CC1CC1 1201597331 WEPAJBZAPGTEOV-UHFFFAOYSA-N 312.457 3.096 0 40 DGAB Cc1nccn1CC1CN(Cc2cccc(C(F)(F)F)c2)C1 1848638507 XDHGVNNEPZIRKO-UHFFFAOYSA-N 309.335 3.342 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccnc3ccccc23)C1 2298199216 JECOVCUHYGXYFU-AWEZNQCLSA-N 311.429 3.366 0 40 DGAB O=C(COc1ccc(Cl)cc1Cl)NCc1ccco1 39142 RKRCNHHERYWPCG-UHFFFAOYSA-N 300.141 3.282 0 40 DGAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1ccccc1F 72077 MEFUZPITMAYBCM-UHFFFAOYSA-N 320.323 3.475 0 40 DGAB O=C(NC(=S)NC1CC1)c1sc2ccccc2c1Cl 339137 NWIHRKCZDKTSRZ-UHFFFAOYSA-N 310.831 3.321 0 40 DGAB Cc1ccc(S(=O)(=O)c2nnc(-c3ccccc3)s2)cc1 339292 NPNOFPUVNDVGSP-UHFFFAOYSA-N 316.407 3.346 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2SC)cc1 2772240 WPNNSSDUUKUFHU-UHFFFAOYSA-N 309.412 3.218 0 40 DGAB COc1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 4276215 MLBQCJIJABHDPG-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4295368 GIJYGRLHNVZBPZ-UHFFFAOYSA-N 301.390 3.103 0 40 DGAB Cc1nc(SCC(=O)N(C)C)c2c3c(sc2n1)CCCC3 4313382 PSEKMALTEGZBSI-UHFFFAOYSA-N 321.471 3.059 0 40 DGAB C[C@H](c1ccc(Cl)cc1)n1c(S)nnc1-c1cnccn1 4511365 BTLRWDZIFYAFKN-SECBINFHSA-N 317.805 3.287 0 40 DGAB CCCCCNC(=O)c1cc(Cl)c(NC(C)=O)cc1OC 4731579 JUQWLRUMTSDZNU-UHFFFAOYSA-N 312.797 3.227 0 40 DGAB CCC(=O)N1CCc2cc(-c3csc(NC(C)=O)n3)ccc21 4893739 AENOIKZCEJPFJJ-UHFFFAOYSA-N 315.398 3.068 0 40 DGAB CC(C)COC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1 5003467 SVRGLJLNJPOFHZ-LFIBNONCSA-N 313.353 3.250 0 40 DGAB CNc1nnc(SCC(=O)c2cc(C)c(C)cc2C)s1 7101904 AOHNUDWHLSXUDC-UHFFFAOYSA-N 307.444 3.480 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC)cc1 8040884 JAENCPZDOKDIEZ-GOSISDBHSA-N 313.397 3.477 0 40 DGAB CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1C(=O)O 8191133 IXHDPTQSEFAXJL-UHFFFAOYSA-N 308.721 3.149 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(F)c(F)c2)c(OC)c1 8304111 BCZXSNMGTNXDHQ-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB O=C(Cc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 9421561 QHHNVVWRAICPDZ-QGZVFWFLSA-N 305.381 3.469 0 40 DGAB C[C@@H](NC(=O)CNC(=O)c1ccco1)c1ccc2ccccc2c1 9690214 OWVRLBWVJPQPBR-CYBMUJFWSA-N 322.364 3.040 0 40 DGAB O=C(Nc1cccnc1)c1cc(C2CC2)nn1-c1ccccc1 9885213 DRHLNLFBHFJDFE-UHFFFAOYSA-N 304.353 3.397 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 10449979 FRYFIJCHXVIQER-UONOGXRCSA-N 311.381 3.440 0 40 DGAB CC(=O)c1ccc(C)cc1OS(=O)(=O)c1cccc(F)c1 10761426 AVPJGEMSDBWQMY-UHFFFAOYSA-N 308.330 3.104 0 40 DGAB O=C(Nc1ccc(SCc2ccccn2)nn1)c1ccco1 11696695 PBWIOYNQRWUVDT-UHFFFAOYSA-N 312.354 3.009 0 40 DGAB O=C(NCc1cc(-c2cccs2)on1)c1cccc(F)c1 12235762 URYCTFSOQWSOFN-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB Cc1nnc(-c2ccc(OCC(=O)N(C(C)C)C(C)C)cc2)o1 12443756 RNQBFBUYXKOTHK-UHFFFAOYSA-N 317.389 3.069 0 40 DGAB Cc1cc(N(C)[C@@H](C)c2cc3ccccc3o2)n2ncnc2n1 12850355 SWYILRNDJAYLIB-LBPRGKRZSA-N 307.357 3.376 0 40 DGAB Cc1ccc([C@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12894015 JKZDXTBZYPDFGO-INIZCTEOSA-N 322.397 3.091 0 40 DGAB O=C(NC1CCCCC1)c1cccc(OC[C@@H]2CCCO2)c1 12935454 SJKFONOCJANKMV-KRWDZBQOSA-N 303.402 3.307 0 40 DGAB COc1ccc(OC)c(NC(=O)CN(C)CC2CCCCC2)c1 12971901 CJIRPFVWKSBKNT-UHFFFAOYSA-N 320.433 3.154 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)C1 13171284 BFVQWBBJCYLVQM-LBPRGKRZSA-N 317.316 3.023 0 40 DGAB Cc1cccc(NC(=O)NC[C@H](Cc2ccccc2)N(C)C)c1 14093126 CHEZGESQIISSEH-SFHVURJKSA-N 311.429 3.289 0 40 DGAB COc1ccc(-c2cc(C(=O)NCc3ccccc3)n[nH]2)cc1 15721906 KMBQXKSRQPOIHK-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB biogenic Cc1ccc(CNC(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 17069749 RDJHUTHKMJWLIW-CYBMUJFWSA-N 300.324 3.479 0 40 DGAB C[C@H]1CCc2noc([C@@H]3CCCN(C(=O)c4ccco4)C3)c2C1 19497158 HLQYTZPYJWCHLH-QWHCGFSZSA-N 314.385 3.412 0 40 DGAB COCCOc1ccc(C(=O)Nc2ccc(Cl)c(N)c2)cc1 19736534 TXPIEYAZQGOHBA-UHFFFAOYSA-N 320.776 3.200 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccccc1C 20107656 UGPUNGOQEUVOGR-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB Cc1nc2nc(-c3ccccc3)nn2c(N)c1-c1cccs1 20638540 JYZVAUHKTGCADA-UHFFFAOYSA-N 307.382 3.410 0 40 DGAB CN1CCN(Cc2ccc(C(=O)C3CCCCC3)cc2)CC1 22027968 XSAVQMRTDVCFBG-UHFFFAOYSA-N 300.446 3.197 0 40 DGAB Cc1cc2ncc(C(=O)Nc3ccc4oc(C)nc4c3)c(C)n2n1 22690554 SXJNTZAWDULBDC-UHFFFAOYSA-N 321.340 3.048 0 40 DGAB CCc1sc(C(=O)Nc2ccccc2C(=O)NC)cc1C 25590894 ROTQYYUAWBPTLG-UHFFFAOYSA-N 302.399 3.231 0 40 DGAB CC(C)c1noc(CCC(=O)Nc2nc3c(s2)CCCC3)n1 30876212 KOGXDMGEZCPCPA-UHFFFAOYSA-N 320.418 3.100 0 40 DGAB CCOc1ncccc1CNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C 31325377 DTMBXSZRNQNPJF-HUUCEWRRSA-N 302.418 3.335 0 40 DGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)s1 31349868 QZFOFHDWUJEKTP-UHFFFAOYSA-N 323.801 3.145 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(C)Cc2sccc2C)c1C 32716706 PRYBNUAOAZWFJG-UHFFFAOYSA-N 304.415 3.476 0 40 DGAB CCC[C@](C)(NC(=O)c1cc(Cl)cc(Cl)c1)C(=O)OC 35220978 CVXDVGUYXPUMDH-AWEZNQCLSA-N 318.200 3.455 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1cccc(N2CCCC2=O)c1 36140866 HEFQMXVOGVSEGV-UHFFFAOYSA-N 322.408 3.476 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)c3ccsc3)CC2)o1 38518241 URPUDKNTOHSXNH-UHFFFAOYSA-N 305.403 3.274 0 40 DGAB C[C@H](NS(=O)(=O)N1CCC[C@@H](C)C1)c1cc2ccccc2o1 40105055 UZPWFZXHYBVLCY-OLZOCXBDSA-N 322.430 3.060 0 40 DGAB Cn1c(C(=O)NCc2nc3ccccc3[nH]2)cc2sccc21 40786238 FRJPGJBLXSBPIW-UHFFFAOYSA-N 310.382 3.046 0 40 DGAB CCc1ccc(-n2cc(C(=O)OC)c3ccccc3c2=O)cc1 44167240 GOCZZSHKLHKVCR-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB Cn1c(C2CCC(CNC(=O)C3CC3)CC2)nc2ccccc21 44442212 MVOHPGZSJOCAIS-UHFFFAOYSA-N 311.429 3.373 0 40 DGAB COc1cccc(C(=O)N[C@H](C)c2ccc(OC)c(OC)c2)c1 44905097 ZXHTVZLFLANLFP-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB COc1ccc(CCC(=O)Nc2ccccc2-n2ccnc2)cc1 45860078 MPPRCHFPYAVMLC-UHFFFAOYSA-N 321.380 3.452 0 40 DGAB CC[C@@H]1CCc2nc(NC(=O)[C@@H](C)n3cccn3)sc2C1 48374760 KSRGSKKLYYUTOD-GHMZBOCLSA-N 304.419 3.054 0 40 DGAB COC(=O)c1cccc2c1CCCN2C(=O)c1ccc(C)nc1C 55113339 YDNFIGRNYLSIHP-UHFFFAOYSA-N 324.380 3.078 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 55748994 SGECJZIECLHGFB-MJBXVCDLSA-N 321.465 3.203 0 40 DGAB CCOC(=O)c1ccn(-c2ccc(NC(=O)CC(C)C)cc2)n1 56278365 WOHIGBROOYBYCL-UHFFFAOYSA-N 315.373 3.034 0 40 DGAB C[C@@H](NC(=O)CCCOc1cccc(F)c1)c1ccncc1 58246347 FVALFWZXTOGIRB-CYBMUJFWSA-N 302.349 3.257 0 40 DGAB O=C(O)c1cccc(NCc2ccc(O)c(Br)c2)c1 58615293 XHRMZGQSIGOPAV-UHFFFAOYSA-N 322.158 3.465 0 40 DGAB CN(Cc1ccco1)C(=O)NCCCOc1ccc(F)cc1 63800570 WTZGFFHQUAFLQI-UHFFFAOYSA-N 306.337 3.029 0 40 DGAB Cc1cc(NC(=O)NCCC2=CCCCC2)ccc1C(N)=O 65566576 IQBQYPUAHFVBNX-UHFFFAOYSA-N 301.390 3.106 0 40 DGAB N#C/C(=C/C=C/c1ccco1)C(=O)Nc1ccc(C(=O)O)cc1 67647773 NDSCBWGZBVPEFU-QNHPYRHSSA-N 308.293 3.080 0 40 DGAB Cc1nnc([C@@H](C)Sc2nnc(Cc3cccc(F)c3)o2)o1 67753613 RCGZEWLHIJJSBU-MRVPVSSYSA-N 320.349 3.344 0 40 DGAB CC(C)CN1C(=O)[C@](O)(CC(=O)c2ccccc2)c2ccccc21 68713178 PDOQWMRDTHNSFU-FQEVSTJZSA-N 323.392 3.150 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69489422 PWYNFXFDMHLXLO-DLBZAZTESA-N 323.444 3.176 0 40 DGAB O=C(NCc1ccccc1F)c1cn[nH]c1-c1cccs1 71115972 KQKNMYCSISFDDU-UHFFFAOYSA-N 301.346 3.207 0 40 DGAB Cc1cc(CNC(=O)OC(C)(C)C)cnc1Br 72221911 JQPMAGGHMFTEHF-UHFFFAOYSA-N 301.184 3.177 0 40 DGAB CCc1cccc(C(=O)OC)c1NC(=O)c1ccnc(Cl)c1 72288142 KNSCIOPNXBPLLX-UHFFFAOYSA-N 318.760 3.336 0 40 DGAB CC(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)cc1 72290603 KXPFKQSUCAHRGA-GOSISDBHSA-N 324.380 3.110 0 40 DGAB c1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@@H]4C3)c2c1 72393362 YDDXBZPYKLEQPH-OAHLLOKOSA-N 310.445 3.110 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)Nc2cnn(CC(F)F)c2)c1 72943771 BVAJHDVERIJTCR-SNVBAGLBSA-N 324.331 3.500 0 40 DGAB C[C@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 73656822 SVRFXOKOXZLDFC-NWDGAFQWSA-N 314.426 3.299 0 40 DGAB CNC(=O)CC1CCN(c2ccnc3cc(Cl)ccc23)CC1 74777807 IBIYDGWCHSDILN-UHFFFAOYSA-N 317.820 3.241 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)[C@@H](O)c1ccc(F)cc1 75137086 CTAOESIFLNTPFD-BDJLRTHQSA-N 318.348 3.078 0 40 DGAB C[C@H](c1ccncc1)N(C)C(=O)Nc1ccc([S@](C)=O)cc1 80128688 DXTJXJMCDAASDY-VERVWZFWSA-N 317.414 3.044 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)CC[C@@H]2CCCO2)o1 81345922 GNYYEQPSRMGYGJ-KBPBESRZSA-N 309.431 3.164 0 40 DGAB O=C(Nn1cccc1)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F 83023912 FQPVCAIHZPZNFG-VXGBXAGGSA-N 310.275 3.261 0 40 DGAB CC(C)c1nnc(NC(=O)CCSc2ccccn2)s1 87068763 GAOOULMGHXGXAY-UHFFFAOYSA-N 308.432 3.177 0 40 DGAB CCc1noc(CC)c1CC(=O)Nc1cccc(Cl)c1O 88375601 HRYAEURLIZGOLD-UHFFFAOYSA-N 308.765 3.340 0 40 DGAB C[C@H](NCCCn1cccn1)c1ccc(Br)s1 89905012 CYXKQWOIWRDECS-JTQLQIEISA-N 314.252 3.448 0 40 DGAB O=C(c1ccc([C@@H]2CCCNC2)cc1)N1Cc2ccccc2C1 95364297 CAHKLENBLLKQCQ-QGZVFWFLSA-N 306.409 3.310 0 40 DGAB O=C1CC[C@@H](Nc2nc3cc(C(F)(F)F)ccc3s2)CN1 95389640 WQBPGYWLWINIDY-MRVPVSSYSA-N 315.320 3.006 0 40 DGAB C[C@H](S[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 95406544 ZRUMXKOPOFFAIO-BLLLJJGKSA-N 323.433 3.400 0 40 DGAB CS(=O)(=O)[C@H]1CCC[C@H](NCc2cc3ccccc3s2)C1 95412259 GJIHNXHHEIERHS-ZFWWWQNUSA-N 323.483 3.347 0 40 DGAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(-c2ccccc2F)n1 95533994 KVSBNQKQNTUDDK-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2cccc(F)c2)n[nH]1 95534031 ZMEBICWFBHHHIJ-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB O=C(CSc1ccccn1)NCCc1c[nH]c2ccccc12 95929225 KPGIIUBICDYTTG-UHFFFAOYSA-N 311.410 3.014 0 40 DGAB Cc1ccc(CN2CC3(CCN(Cc4csc(C)n4)C3)C2)o1 96046422 LFHPMTZCPMUQTA-UHFFFAOYSA-N 317.458 3.061 0 40 DGAB CCc1cc2c(=O)[nH]c(CC(=O)c3ccc(C)s3)nc2s1 96404264 NEFSPMOTYPBUCZ-UHFFFAOYSA-N 318.423 3.342 0 40 DGAB CN(C)c1cccc([C@@H]2CCCN2C(=O)CC[C@H]2CCCO2)c1 96410185 IQGPCFUYANHWLD-MSOLQXFVSA-N 316.445 3.375 0 40 DGAB CCOCc1ccccc1NC(=O)N[C@H]1CCCC[C@@H]1OC 96434262 AGYYOXQSAFKDRD-HOTGVXAUSA-N 306.406 3.302 0 40 DGAB O=C(NCc1c(F)cccc1OC(F)F)Nc1cccnc1 96443641 MISQALSPLSBFHF-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB C[C@@H](NC(=O)C[C@H]1CCCO1)c1ccc(-c2cccnc2)cc1 96446740 JYMQWVWRNAVEDX-RDTXWAMCSA-N 310.397 3.495 0 40 DGAB C[C@](Cl)([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96520240 NWTZGHMPIZOYTM-HZPDHXFCSA-N 324.829 3.387 0 40 DGAB Cc1nccn1-c1ncccc1NCc1nc2c(s1)CCC2 97047058 KZXBIDZBZTWVKF-UHFFFAOYSA-N 311.414 3.133 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1C[C@H](c2ccsc2)C[C@@H]1C 97230960 KCNZHRHAXNSHHT-GXTWGEPZSA-N 323.458 3.432 0 40 DGAB O=C(c1ccc(O)c(Br)c1)N1Cc2ccccc2C1 98177767 BISGZMQSUGKXSP-UHFFFAOYSA-N 318.170 3.311 0 40 DGAB C[C@H](NCCCn1ccnc1)c1cc(Br)cs1 193939256 OZOJVXJXMACJIP-JTQLQIEISA-N 314.252 3.448 0 40 DGAB O=C(Nc1ccccc1Br)c1cnc(C2CC2)nc1 222594695 CEGQYPFGTDQKIW-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB COc1ccc(C(=O)NCCCN2CCC(C)CC2)cc1Cl 222838151 BUVVQQRXBBOTIP-UHFFFAOYSA-N 324.852 3.200 0 40 DGAB CC(C)n1c(=O)sc2cc(NC(=O)c3ccco3)ccc21 225133482 NFMXTOKWDLHGIA-UHFFFAOYSA-N 302.355 3.489 0 40 DGAB CC[C@H](C)Cc1c(C)sc2nc(-c3ccncn3)[nH]c(=O)c12 225566316 VZSNWAIHFPHMOM-VIFPVBQESA-N 314.414 3.339 0 40 DGAB CCc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1 225871191 MKRXGCOJICHBDQ-UHFFFAOYSA-N 322.452 3.136 0 40 DGAB CCNC(=S)Nc1nc(Cl)cc(Oc2ccccc2)n1 225884265 PCVBZYHKSCNSDK-UHFFFAOYSA-N 308.794 3.229 0 40 DGAB COc1ccccc1CNC(=O)c1cc2cc(C)ccc2oc1=O 226037520 NBIPLQGCJQDEKW-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB C[C@@H]1CN(Cc2ncnn2C(C)(C)C)C[C@@H](c2ccsc2)O1 253392462 ZRWYSOZUCMSKQB-OCCSQVGLSA-N 320.462 3.057 0 40 DGAB CC(C)(C)OC(=O)N[C@H](c1ccccc1)[C@H](O)C(F)(F)F 261508147 PZVPCYIOYOTOEP-MNOVXSKESA-N 305.296 3.176 0 40 DGAB CC[C@@H](C(=O)N[C@H](CO)c1cccc(F)c1)c1ccccc1 390834496 ZTXLCIMNEPYUJK-IAGOWNOFSA-N 301.361 3.169 0 40 DGAB CCCN1C(=O)S/C(=C/c2cccc(OC)c2OC)C1=O 409228756 DQFVVHJBUQCQSH-FMIVXFBMSA-N 307.371 3.150 0 40 DGAB Cc1nc2cc(NC(=O)N[C@@]34C[C@H]3COC4(C)C)ccc2s1 529050805 DOZLTGXFXIOOBE-QFYYESIMSA-N 317.414 3.294 0 40 DGAB Cc1cc(N2CCC(Nc3cccc(C(=O)O)c3)CC2)ccn1 568095007 VDBYFDDDFUEDEN-UHFFFAOYSA-N 311.385 3.169 0 40 DGAB O=C(O)C[C@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 571570264 BGOLUFADENZOJE-CYBMUJFWSA-N 320.776 3.434 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCC[C@@H](Oc2ccncc2)C1 575614251 XRWWFXQNFXRSNV-MRXNPFEDSA-N 321.380 3.247 0 40 DGAB CCCC(CCC)N1CCOC[C@](O)(COc2ccccc2)C1 585287862 UDWXMIYZWFBRQT-IBGZPJMESA-N 321.461 3.098 0 40 DGAB CC(C)(CNS(=O)(=O)c1cccs1)c1ccsc1 1565519358 OKVKPGRSDQKDPQ-UHFFFAOYSA-N 301.458 3.066 0 40 DGAB COc1cccc(N2C(=O)N[C@@H]3C[C@@]2(C)Oc2ccccc23)c1 422964 XLPXYYQWJCMIMP-CRAIPNDOSA-N 310.353 3.465 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2CC2CCCCC2)c(=O)[nH]1 84130970 FGSVGYBFGDSYPQ-HNNXBMFYSA-N 302.418 3.258 0 40 DGAB COC(=O)CSc1nnc(-c2ccc3[nH]c(C)c(C)c3c2)o1 1223276 KVXVXJLFUUAUBH-UHFFFAOYSA-N 317.370 3.100 0 40 DGAB O=C(c1cccc(OCc2cn3ccccc3n2)c1)N1CCCC1 53599342 OEHDCFBWVBLLCN-UHFFFAOYSA-N 321.380 3.149 0 40 DGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nncs1 53733400 XNOVYKNFABXYPH-NSHDSACASA-N 302.403 3.371 0 40 DGAB O=C(O)Cn1nc(C2CC2)c2c(-c3ccc(F)cc3)ccnc21 12395292 RXOFCKLUEPDJMK-UHFFFAOYSA-N 311.316 3.199 0 40 DGAB CCC(=O)Nc1cccc(C(=O)OCC(=O)c2cccs2)c1 803276 NIIYMVRUOIDGAH-UHFFFAOYSA-N 317.366 3.136 0 40 DGAB CC(C)OCCCNC(=O)c1ccc(CN2CCCCC2)cc1 10371457 YSGAHOBRRIOEDF-UHFFFAOYSA-N 318.461 3.217 0 40 DGAB Cc1cc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)no1 24039321 BMPHXGOVSRWGBV-UHFFFAOYSA-N 313.279 3.320 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1ccccc1OC 8041557 YULSDEQLUJIGLK-AWEZNQCLSA-N 315.369 3.500 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)c2ccc(Cl)cc2)cc1C 8291651 JPWJHGHRUQMTPG-UHFFFAOYSA-N 316.788 3.325 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NCCC2CCCCC2)c1 8369875 FFEDXOAXRANCMM-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2cccn2)c(Br)c1 24755127 MBSFLMQNHAYGQG-SNVBAGLBSA-N 308.179 3.154 0 40 DGAB CCN(C(=O)COC(=O)c1ccc(F)cc1F)c1ccccc1 51357230 TXFKNGYPTQZKED-UHFFFAOYSA-N 319.307 3.175 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(F)cc1)C3 20671523 JIKPJWGIMNERIB-GFCCVEGCSA-N 324.359 3.129 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)CNC(=O)Nc1ccccc1 25616027 OZLPTNJWFISOEE-CQSZACIVSA-N 311.385 3.028 0 40 DGAB Cc1ccc(C(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)o1 24330380 XKADEODIDUSUCG-CYBMUJFWSA-N 310.357 3.002 0 40 DGAB Cc1c([C@@H](C)NC(=S)NC2CC2)cnn1-c1ccc(F)cc1 44136383 BSRCJQJHXNRGKH-SNVBAGLBSA-N 318.421 3.007 0 40 DGAB CCCCNS(=O)(=O)c1ccc(N2C[C@@H](C)C[C@@H](C)C2)cc1 1805454 PAFJCHUTHMDFCK-GASCZTMLSA-N 324.490 3.247 0 40 DGAB CCN1CCN(C(=O)[C@H](C)Oc2cc(C)ccc2C(C)C)CC1 58817453 YKMFWMIDBMQYLG-INIZCTEOSA-N 318.461 3.050 0 40 DGAB COc1cccnc1NC(=O)[C@@H](C)SCc1ccccc1 58195299 JYCREGIHYXOUQA-GFCCVEGCSA-N 302.399 3.351 0 40 DGAB CCOC(=O)[C@@](C)(NCc1ccc(OC(F)F)cc1)C(C)C 72308596 LESVIACUSDLVIF-INIZCTEOSA-N 315.360 3.355 0 40 DGAB O=C(CCOc1ccccc1)OCC(=O)c1ccccc1F 3228633 KGXUXFXUTJFTSH-UHFFFAOYSA-N 302.301 3.021 0 40 DGAB NC(=O)[C@@H](Oc1ccccc1Br)c1ccccc1 44920317 NZOXVHHUPMJAEO-ZDUSSCGKSA-N 306.159 3.055 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)/C=C/c1c(F)cccc1F 58331421 YLIDFSFHJFWRTF-BQYQJAHWSA-N 306.312 3.241 0 40 DGAB C[C@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@@H]1CCCO1 48139125 LMSXBCCWUUAMQH-LRDDRELGSA-N 321.396 3.115 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@]3(C)CC[C@@H]2C3(C)C)cc1 104219728 RXLBHJGTNPNLEM-UXLLHSPISA-N 307.459 3.488 0 40 DGAB Cc1ccc(C)c(C(=O)c2cccc(CN3CCN(C)CC3)c2)c1 22028023 MNUBMNSIWHPROC-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CN([C@H]1CCc2ccccc21)S(=O)(=O)Cc1ccc(F)cc1 29391879 BQODNLLONVUMBM-KRWDZBQOSA-N 319.401 3.275 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1)Nc1ccc(F)cc1F 3390907 TXDWNQXGGWJMRN-RMKNXTFCSA-N 317.291 3.160 0 40 DGAB C[C@@H](Nc1cnc2ccccc2n1)c1ccc2c(c1)NC(=O)CO2 46483924 UQWJROFUSIJWQW-LLVKDONJSA-N 320.352 3.134 0 40 DGAB CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 13004809 JCTNBBMTMYZJGQ-ZDUSSCGKSA-N 320.458 3.068 0 40 DGAB CC(C)(C)n1cc(CN2CCO[C@H](c3cccc(F)c3)C2)cn1 92975890 WBTTUNMFFBREMZ-KRWDZBQOSA-N 317.408 3.351 0 40 DGAB Cc1n[nH]cc1CN1CCO[C@H](c2ccc(F)c(Cl)c2)C1 92972947 OWMHMWRUHZNAJI-HNNXBMFYSA-N 309.772 3.084 0 40 DGAB CCN1CCC(CNC(=O)c2cccc(Cl)c2Cl)CC1 49377610 IVFBAZCGLAMAQH-UHFFFAOYSA-N 315.244 3.455 0 40 DGAB COCCCNC(=S)Nc1cc(C(C)(C)C)ccc1OC 6238734 XLLULTPQKMAREM-UHFFFAOYSA-N 310.463 3.316 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)N[C@@H](C)CCCC(C)C)C(=O)OC 5347660 VNSUOBYJAXLNLM-RDBSUJKOSA-N 300.443 3.088 0 40 DGAB O=C(Nc1ccccc1C(=O)Nc1cnccn1)c1cccs1 4505952 HOFXSECAUVJHLP-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Br 5679727 VAEQUGGDYIQASA-ZJUUUORDSA-N 324.174 3.055 0 40 DGAB O=c1c(CCCOCc2ccccc2)c(O)[nH]c2ccccc12 5790616 QMOTVWUMHZXFRY-UHFFFAOYSA-N 309.365 3.383 0 40 DGAB CCc1ccc([C@H](NC(=O)[C@H]2CCCN2C(C)=O)C(C)(C)C)o1 72285199 FDBHGJKWZVNEPO-ZBFHGGJFSA-N 320.433 3.056 0 40 DGAB Cc1ccc2cc(C=O)c(S(=O)(=O)c3ccccc3)nc2c1 67172496 GRHHVDFPDCKNNT-UHFFFAOYSA-N 311.362 3.189 0 40 DGAB NC(=O)c1cccc(NC(=O)Cc2cccc3ccccc23)c1 9314902 MIZMYKSIGUMVFU-UHFFFAOYSA-N 304.349 3.120 0 40 DGAB CC(=O)Nc1ccc(SC[C@@H](O)COc2ccccc2)cc1 7205875 CNJWGWACTJLNGC-HNNXBMFYSA-N 317.410 3.177 0 40 DGAB C[C@H](Sc1nc2ncc(Cl)cc2[nH]1)C(=O)NC1CCCC1 9367186 QEGMGFDRPRMVLF-QMMMGPOBSA-N 324.837 3.151 0 40 DGAB CCOc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 9722693 NMUMWPOQEKXGLY-CYBMUJFWSA-N 317.360 3.308 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@@H](N)c2ccc(F)cc2)CC1 71664298 JBCLRJCZCCDPHU-HNNXBMFYSA-N 308.397 3.473 0 40 DGAB Cc1cc(NC(=O)CN2CCC[C@@H]2c2ccc(C)c(C)c2)no1 67984797 KPDXFTKGTIUTCX-MRXNPFEDSA-N 313.401 3.375 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cc(N)ccc2Cl)c1 20194199 SHBHNQWSUWCHMQ-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(Cc1noc2ccccc12)OCc1nc2ccccc2o1 7865411 ZEXCSNVJWCVLKK-UHFFFAOYSA-N 308.293 3.255 0 40 DGAB Cc1ccc(Cl)c(OC[C@@H](O)CSc2nncs2)c1 97114059 FKCRGOYATMWVPA-SECBINFHSA-N 316.835 3.032 0 40 DGAB C[C@@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1cccc(F)c1 90955534 XLIBFTNSJFXGGO-DYVFJYSZSA-N 316.376 3.239 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)c1cc2ccccc2[nH]1 8135422 BFSCLCZXZXXYPQ-UHFFFAOYSA-N 318.380 3.256 0 40 DGAB O=C(COc1cccc[n+]1[O-])Nc1ccc(-c2ccccc2)cc1 8223838 XZKCNIYNHKUGEV-UHFFFAOYSA-N 320.348 3.005 0 40 DGAB Cc1ccc2cc(C(=O)N3CCOC[C@H]3c3cccn3C)[nH]c2c1 97162830 OYZDWNUPACGHCN-SFHVURJKSA-N 323.396 3.029 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)NCc2cn3ccccc3n2)s1 69488178 XQYZHBGNQYOAFQ-KGLIPLIRSA-N 311.410 3.124 0 40 DGAB Cc1ccc(Nc2nn(C)c3nc(C)c4ccccc4[n+]23)cc1 17197696 SSMXWSKSBFTLEI-UHFFFAOYSA-N 304.377 3.067 0 40 DGAB COc1ccc(/C=C/c2cc(OC)c3c(c2)OCO3)cc1O 17175933 YTVCXBVFGQEBAL-ONEGZZNKSA-N 300.310 3.309 0 40 DGAB Cc1nc([C@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)n[nH]1 69740282 PZIMXUYPQKLQQJ-QGZVFWFLSA-N 320.396 3.249 0 40 DGAB CCc1ccccc1NC(=O)NCCCCn1ccccc1=O 71908464 RBQNFMLTFHWEPF-UHFFFAOYSA-N 313.401 3.013 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)Nc1cccnc1 8704626 OWBTVXXGIODLHN-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB O=C(CCc1nc2ncccc2[nH]1)Nc1ccc2cc[nH]c2c1 72403659 CDWFYWXDNAGLJP-UHFFFAOYSA-N 305.341 3.011 0 40 DGAB CCOc1ncc(C(=O)N2CC[C@H](c3ccco3)C2)cc1Cl 95395720 GGGMYTIEMYYLGJ-NSHDSACASA-N 320.776 3.356 0 40 DGAB CC(C)(C)c1nccc(N[C@@H]2CCO[C@@]3(CCSC3)C2)n1 95426403 XXRPMEOECQTLJF-WBMJQRKESA-N 307.463 3.241 0 40 DGAB CCOc1ncccc1CNC1CCN(CC=C(C)C)CC1 95420096 NIWMLVPGQVPVKD-UHFFFAOYSA-N 303.450 3.001 0 40 DGAB CC[C@@H](C)NC(=O)CCN[C@H](C)c1cc(F)c(F)c(F)c1 95421002 YZXIISCNJBDBFX-NXEZZACHSA-N 302.340 3.059 0 40 DGAB COC(=O)C1=C(C)O[C@H](CN2CCC[C@H]2c2ccccc2C)C1 95444051 CTXTVPVUAQGOAY-YJBOKZPZSA-N 315.413 3.368 0 40 DGAB Cc1[nH]ncc1CCCN[C@@H]1CSCCc2ccccc21 95420043 OFYVPSSSPRYMMN-QGZVFWFLSA-N 301.459 3.271 0 40 DGAB Cn1ccnc(Sc2nc(-c3ccccc3)cs2)c1=O 95403033 AIFKTNHERLZWAW-UHFFFAOYSA-N 301.396 3.055 0 40 DGAB COc1cccc(CC(C)(C)NC(=O)[C@@H](C)C2CCOCC2)c1 95440057 DWTQTHFXQSPVDG-AWEZNQCLSA-N 319.445 3.195 0 40 DGAB CC[C@](C)(CC(=O)O)NC(=O)Cc1ccc(C(F)(F)F)cc1 95970240 QPHAYCVAZRDOKO-CQSZACIVSA-N 317.307 3.008 0 40 DGAB Cc1c[nH]cc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 95954386 NVNDZUMRPJFFHN-HZPDHXFCSA-N 302.349 3.112 0 40 DGAB O=c1ccn(Cc2nnc(-c3ccccc3)o2)c2ccsc12 89853105 OQGKDLXJLPXUKM-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CO[C@H]1CCC[C@H](OC(=O)c2ccccc2-c2cncnc2)C1 76020677 ABXOHOVCEVNNJP-GJZGRUSLSA-N 312.369 3.258 0 40 DGAB CO[C@]1(C)C[C@H](NC(=O)N[C@H](C)c2nc(C)cs2)C1(C)C 76091759 CIDHKVCFDRWDGB-JRPNMDOOSA-N 311.451 3.015 0 40 DGAB CCOc1ccccc1NC(=O)[C@H](C)Oc1cccc(OC)c1 20450120 QWHMEOYTSYULPL-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB CCn1nnc(NCc2ccc(-c3cccc(Cl)c3)o2)n1 32617004 YFECZSSMBZAKFP-UHFFFAOYSA-N 303.753 3.219 0 40 DGAB CC(C)(C)n1ncc(N2CCC[C@@H]2C2CCC2)c(Cl)c1=O 1515445537 UVQLROOLNKYWAP-GFCCVEGCSA-N 309.841 3.421 0 40 DGAB Cc1cc(C(=O)Nc2ccc(SCC(=O)O)cc2)c(C)n1C 408676583 KVVWYGGOYYSZAM-UHFFFAOYSA-N 318.398 3.071 0 40 DGAB O=C(N[C@H]1CCCOc2cc(F)ccc21)NC1(C2CC2)CC1 537563290 QKJPLMRODOIJDB-AWEZNQCLSA-N 304.365 3.281 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1ccc2c(c1)OCO2 32610160 GOKPDKDRPGNKPQ-MAZHCROVSA-N 309.365 3.396 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1ccc(Cl)cc1Cl)C1CC1 79420423 DHTSEYNJYYEQDI-AWEZNQCLSA-N 315.244 3.468 0 40 DGAB OC1=Nc2nc(N3CCOCC3)sc2[C@H](c2cccs2)C1 36364977 CBWHRHDYHFCTOI-VIFPVBQESA-N 321.427 3.165 0 40 DGAB CSc1ncccc1C(=O)N1CC[C@@H](c2ccsc2)C1 670630528 ZSDWUTNNXJUQGF-LLVKDONJSA-N 304.440 3.495 0 40 DGAB Cc1noc2nc(C(C)C)cc(C(=O)NCCCOC(C)C)c12 71288151 MTXCGXPRLLKSCR-UHFFFAOYSA-N 319.405 3.200 0 40 DGAB COc1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1Cl 74705603 QDQCMSGMHSLZDD-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB Cn1cc(CN2CC[C@@H](Cc3ccc4ncccc4c3)C2)cn1 72368003 GFBBLBNPRYJLGH-INIZCTEOSA-N 306.413 3.033 0 40 DGAB CCOc1cc(CNC[C@H]2CCCO2)ccc1OCC(C)C 72658626 CGSYJENPOMPQKB-MRXNPFEDSA-N 307.434 3.389 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)(C)C 222782518 GZMHBUABMSHXLU-OAHLLOKOSA-N 318.461 3.427 0 40 DGAB CC(C)(C)C(=O)Nc1cc(C(=O)O)ccc1Br 226354170 BRCBZRJSZFTDKV-UHFFFAOYSA-N 300.152 3.132 0 40 DGAB O=C(Nc1ccccc1Cl)c1cn2c3c(cccc3c1=O)CC2 223092120 OMPLEFLWDXEXDB-UHFFFAOYSA-N 324.767 3.463 0 40 DGAB CCOc1nn(C)c2ccc(NC(=O)NC3CCCCC3)cc12 227164598 GAHGEUYXPOPRHA-UHFFFAOYSA-N 316.405 3.426 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCN(CC2CCOCC2)CC1 191070407 AFOGZAPMVILIHU-HKUYNNGSSA-N 306.494 3.023 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1cccc(F)c1 85397444 CBQZQXOGNKQERO-UHFFFAOYSA-N 302.301 3.394 0 40 DGAB CC1(NC(=O)Nc2cc(F)ccc2OC(F)F)CCOCC1 96495537 YYNGNRSGUNSKEA-UHFFFAOYSA-N 318.295 3.118 0 40 DGAB CC(=O)c1ccc(C(=O)NC2(c3nc(C)cs3)CCCC2)o1 578001724 OVELDZUSZDQWHG-UHFFFAOYSA-N 318.398 3.446 0 40 DGAB CC(C)(C)c1ncc(CN2CCC(n3cccn3)CC2)s1 92618138 YGKMXBMCWYDUHN-UHFFFAOYSA-N 304.463 3.474 0 40 DGAB C[C@H](C(=O)N[C@@H](C[S@](C)=O)c1ccccc1)c1cccs1 96445488 MZEUKIYRDDDQQA-QENPMARHSA-N 321.467 3.088 0 40 DGAB COCc1ccc(C(=O)N2C[C@H](C)C(=O)Nc3ccccc32)cc1 96418395 OVIMXBOVDCGNJI-ZDUSSCGKSA-N 324.380 3.068 0 40 DGAB COCC[C@@H](C)NCc1cc(Br)cnc1Cl 585089179 ZYEKCQXJUNJOPU-MRVPVSSYSA-N 307.619 3.012 0 40 DGAB c1ccc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)nc1 257313787 UUDOQKWUAQMJOG-QGZVFWFLSA-N 321.424 3.254 0 40 DGAB C[C@@]12CCC[C@@H]1[C@H]1CC(=O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]1CC2 253505028 OWZBXHMGYRJJON-UEHUPTKESA-N 306.446 3.074 0 40 DGAB biogenic,in-vitro CC(=O)N1CCN(Cc2cccs2)C[C@H]1c1ccccc1 257296962 RFEXAPZJFAWQST-KRWDZBQOSA-N 300.427 3.154 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)/C=C/c3ccccc3)C2)n1 257331603 XTOIEBHEACCNNR-KBOKABMXSA-N 307.397 3.123 0 40 DGAB O=C(NCc1ccc(-c2ccco2)cc1F)N1CCCCO1 283506171 ZCVRVGKZWVYVAC-UHFFFAOYSA-N 304.321 3.323 0 40 DGAB Cc1cc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)nn1C 575410693 AGPUHKBKNQOJJA-UHFFFAOYSA-N 320.352 3.134 0 40 DGAB Cc1ccc(N(Cc2cccs2)C(=O)[C@H](C)C(=O)O)cc1 844245961 FXUWILBJZGXABX-LBPRGKRZSA-N 303.383 3.310 0 40 DGAB Cc1cccc(C(=O)NCc2nc(-c3cccs3)no2)c1C 65778725 ZEXFWXBTWLVFJD-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB O=C(NCc1ccc(Cl)cc1)NC[C@H](O)C1CCCCC1 69722601 SZSUEULKJPIWOQ-HNNXBMFYSA-N 310.825 3.080 0 40 DGAB O=c1c2ccsc2ncn1Cc1ncc(-c2cccs2)o1 67428151 QSVMNZGANDYNPG-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB Cc1ncccc1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 74036922 FHPPMBAVJCNUCV-CYBMUJFWSA-N 306.369 3.067 0 40 DGAB C[C@H](Nc1ccc(C(=O)Nc2ccccc2)nn1)c1ccccn1 74279497 RZZMACHPHYAEJC-ZDUSSCGKSA-N 319.368 3.297 0 40 DGAB CC[C@@H]1c2cccn2CCN1C(=O)CSCc1cccnc1 95426663 AWFKRGYPBNLCRJ-OAHLLOKOSA-N 315.442 3.110 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)OC(=O)c2c(C)noc2C)c1 95449994 ZRZFKMLMJULJCK-SNVBAGLBSA-N 302.330 3.168 0 40 DGAB O=C1[C@@H]([C@H](O)c2ccccc2)CCC[C@@H]1[C@H](O)c1ccccc1 5064248 ITPSDCDUMAWRTR-NCXUSEDFSA-N 310.393 3.439 0 40 DGAB COc1ccc([C@@H](O)Cc2cc(=O)cc(-c3ccccc3)[nH]2)cc1 5424834 PXGLYVBTTITPPH-FQEVSTJZSA-N 321.376 3.327 0 40 DGAB FC(F)(F)c1ccc(CCNc2ncnc3[nH]ncc23)cc1 12547869 CIJUTTSEKRVZEC-UHFFFAOYSA-N 307.279 3.026 0 40 DGAB c1cnc(-c2nnc([C@H]3CCCN3CC3CCCCC3)o2)cn1 19403868 XXBAKYDBKFBRMJ-OAHLLOKOSA-N 313.405 3.244 0 40 DGAB CN[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 242473211 FBVFIVBMNRYTNA-WKILWMFISA-N 302.418 3.318 0 40 DGAB CC(C)[C@H]1N(C(=O)c2cc(C(F)(F)F)nn2C)CC12CCC2 556311445 ANGLDGJAIBLJSS-GFCCVEGCSA-N 315.339 3.090 0 40 DGAB O=C(O)[C@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 35302977 WCQHDDRJXDDEQE-GFCCVEGCSA-N 306.749 3.044 0 40 DGAB O=C(OCc1nnc(-c2ccco2)o1)c1cc2ccccc2o1 4332106 XZKCOHUZRMXDGO-UHFFFAOYSA-N 310.265 3.433 0 40 DGAB O=c1c2ccccc2n(CC2CCC2)c(=O)n1Cc1ccccc1 1889074435 JOVZTWXCEJCYLK-UHFFFAOYSA-N 320.392 3.012 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889098167 LYDDHXPMKYIWAW-ZDUSSCGKSA-N 323.318 3.462 0 40 DGAB CC(C)N1C(=O)OC[C@H]2CCN(Cc3ccccc3)CC[C@@H]21 2037981080 TVDONEOYOGSPSC-SJORKVTESA-N 302.418 3.128 0 40 DGAB CC1CC(C(=O)N2CCC3(CCCN3CC3CCC3)CC2)C1 1565548973 KGALCOMAUVYEGH-UHFFFAOYSA-N 304.478 3.290 0 40 DGAB COc1cccc(C(=O)NCc2ccc(-c3ccco3)nc2)c1 225750925 RYQWPCNHDBZKRT-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CCCCOc1ccc(NC(=O)NCC[C@H](O)C2CC2)cc1 77108815 UKQKVHBBVBAGAR-INIZCTEOSA-N 306.406 3.148 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)CCNC(=O)C2CCCC2)c1 30888487 BAUVEYILDNPGQW-OAHLLOKOSA-N 316.445 3.177 0 40 DGAB O=C(NCc1cscn1)N1CCC[C@@H]1Cc1ccc(F)cc1 51309181 ZKRVFGRTBKTDHO-OAHLLOKOSA-N 319.405 3.199 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cc1 102455803 CPPKCRNKOIRQHI-HRCADAONSA-N 314.429 3.288 0 40 DGAB CCCC[C@H](CC)CN/C=C1/C(=O)NC(=O)c2ccccc21 21759300 DUKWFPWPYPIRMA-HKJJFUAXSA-N 300.402 3.104 0 40 DGAB Cc1noc(C)c1CS[C@H](C)C(=O)NCc1ccccc1 41294797 PDNAEQSGAADXCV-CYBMUJFWSA-N 304.415 3.230 0 40 DGAB O=C(NCc1ccc(C(=O)N2CCCCCC2)cc1)C1CCC1 41381267 JLHZJCNCNSNOQP-UHFFFAOYSA-N 314.429 3.119 0 40 DGAB C[C@@H](CNC(=O)c1ccc(F)c(F)c1)N1CCc2ccccc21 33056313 UEJSHVIYULTSKM-LBPRGKRZSA-N 316.351 3.146 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(Cl)cc2)cc1 575876 WNBWZJAFHGPXLR-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccs1 535195 FOMFNBVHXNQSRZ-UHFFFAOYSA-N 300.339 3.268 0 40 DGAB COc1ccccc1Nc1nc(N2CCCCC2)ncc1F 187076 JCUZMGWVOIYXFS-UHFFFAOYSA-N 302.353 3.358 0 40 DGAB CCOC(=O)c1csc(NC(=O)c2ccccc2Cl)n1 193495 BKGWEMNJJYQOKK-UHFFFAOYSA-N 310.762 3.226 0 40 DGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1cccc(OC)c1 535252 ZAEMHKLZZVVJKP-UHFFFAOYSA-N 324.336 3.215 0 40 DGAB CC(C)(C)NC[C@H](O)COc1ccc(O)c2c1C1CCC2CC1 1846404 GEVXLKYQQIKELK-RUXDESIVSA-N 319.445 3.275 0 40 DGAB in-man COc1ccc([C@@H]2CC(=O)N(C(=O)/C=C/c3ccccc3)C2)cc1 3136199 OVCAWYPGVCUJEJ-SNQZOLJRSA-N 321.376 3.251 0 40 DGAB C[C@@H]1CN=C(NC(=O)Nc2cccc(C(F)(F)F)c2)S1 3173233 MJKJVFKCCVVTSR-SSDOTTSWSA-N 303.309 3.318 0 40 DGAB CN(CCc1ccccn1)c1ncnc2sc3c(c12)CCC3 3255101 KILVEGONOJYJQJ-UHFFFAOYSA-N 310.426 3.254 0 40 DGAB O=C1c2ccc(Oc3ccccc3)cc2C(=O)N1C[C@H]1CCCO1 4506483 NWYBWHALXDIVAN-OAHLLOKOSA-N 323.348 3.254 0 40 DGAB CCn1cc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c2ccccc21 5265944 KFHGXUFCFBOELU-STQMWFEESA-N 301.390 3.302 0 40 DGAB C[C@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 6097722 DXVRVJOLTJCKKS-LBPRGKRZSA-N 316.430 3.124 0 40 DGAB O=c1c(-c2ccccc2)c(O)[nH]c2c1cnn2-c1ccccc1 6666701 WEUFYYLICLGBSA-UHFFFAOYSA-N 303.321 3.086 0 40 DGAB CCCCCNCc1ccc(OCC(=O)NC(C)(C)C)cc1 7261305 IVKAOHQAJWLRSB-UHFFFAOYSA-N 306.450 3.260 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1ccc(F)c(F)c1 7418693 NQROOALFUKSKEF-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB CCOCCCNCc1ccc(-c2ccc(C(=O)OC)cc2)o1 7538983 YNXHLESEINZYPA-UHFFFAOYSA-N 317.385 3.249 0 40 DGAB C[C@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1F 7879119 VOFKJVWWQGWDRY-LBPRGKRZSA-N 318.417 3.123 0 40 DGAB Cc1ccc(-c2nnc(NC(=O)COc3cccc(C)c3)[nH]2)cc1 8117077 HGRRDQQISZIKKY-UHFFFAOYSA-N 322.368 3.106 0 40 DGAB COCCNc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 8208836 QWJMRZPPZMAFCV-UHFFFAOYSA-N 319.430 3.463 0 40 DGAB Nc1nc(-c2ccccc2)c(CCCNc2ccccc2)c(=O)[nH]1 8616327 SCRJBOTXSNZXCG-UHFFFAOYSA-N 320.396 3.064 0 40 DGAB COc1ccc(/C=C/c2nc(-c3ccccc3O)n(C)n2)cc1 9224909 QEWNWZSQZGQIDF-FMIVXFBMSA-N 307.353 3.367 0 40 DGAB CCOC(=O)c1ccc(Nc2cc(C)nc(SC)n2)cc1 11907729 XKFZIBGRCGXVKG-UHFFFAOYSA-N 303.387 3.427 0 40 DGAB C[C@H]1c2ccsc2CCN1Cn1ncc2ccccc2c1=O 12878600 QHMKJMSXUJIXNG-LBPRGKRZSA-N 311.410 3.035 0 40 DGAB C[C@H](NC(=O)NC1CCCC1)c1ccc(NC(=O)C2CC2)cc1 12971620 XIOGHYSVKQFTNF-LBPRGKRZSA-N 315.417 3.338 0 40 DGAB O=C(NCc1ccncc1)c1cc(-c2ccc(Cl)cc2)on1 14282999 UCEPYJZZYHYXFW-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB O=C(OCc1nc2ccccc2n1C(F)F)c1cccc(O)c1 14901991 DWDHPTLPXGJQNM-UHFFFAOYSA-N 318.279 3.494 0 40 DGAB CC(=O)N(CCCc1c(C)[nH]c(N)nc1=S)c1ccccc1 17013045 KBNYRHIXWIPQIL-UHFFFAOYSA-N 316.430 3.016 0 40 DGAB COc1ccc2o/c(=N\c3cccc(C)c3)c(C(N)=O)cc2c1 17122507 KQCDERRCCCFMGR-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB O=C(Nc1cccnc1)c1cc(-c2cc(Cl)ccc2O)[nH]n1 17820700 YADYBFHHEMKHQG-UHFFFAOYSA-N 314.732 3.083 0 40 DGAB CCc1nnc(SCc2nnc(-c3cccc(C)c3)o2)o1 20034151 KPKUWKGYCAUHMQ-UHFFFAOYSA-N 302.359 3.283 0 40 DGAB COC[C@@H](C)NC(=O)CSc1c(Cl)cccc1Cl 21223982 SVTYBKVSPSRENO-MRVPVSSYSA-N 308.230 3.237 0 40 DGAB COc1cc(C=O)ccc1OCc1nc(-c2cccc(C)c2)no1 22120893 WMFKLRWUIHHIRJ-UHFFFAOYSA-N 324.336 3.445 0 40 DGAB Cc1ccc(C(N)=O)c(OCc2cccc(Br)c2)c1 22188428 OBRGWIXQDJMEFN-UHFFFAOYSA-N 320.186 3.435 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1 22511549 UOTMFAKAUXWEHA-UHFFFAOYSA-N 320.751 3.368 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccnn1Cc1ccccc1 23055026 MRHKCWBZTXFEBH-OAHLLOKOSA-N 321.380 3.337 0 40 DGAB Cc1ccccc1NC(=O)c1nn(C)c(C)c1Br 28304211 AKUVLPCYJGSDTA-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB CN(Cc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 29484059 LJTNXNPPZOOYGJ-KRWDZBQOSA-N 305.381 3.042 0 40 DGAB CCCn1nc(C)cc1NS(=O)(=O)c1ccc(Cl)cc1 32610661 UYSGODJDNNMHQU-UHFFFAOYSA-N 313.810 3.056 0 40 DGAB O=C(/C=C/c1ccc(C(=O)NC2CC2)cc1)Nc1ccccc1 32765545 NAJDQLLFJVEXDG-MDWZMJQESA-N 306.365 3.231 0 40 DGAB O=C(NCc1cccc(NC(=O)c2ccco2)c1)c1ccoc1 33102739 LNRIMZBVBWHPEG-UHFFFAOYSA-N 310.309 3.055 0 40 DGAB CC[C@H](C)NC(=O)Cc1csc(COc2ccc(C)cc2)n1 33326332 BVTHDIOHVZQNIF-ZDUSSCGKSA-N 318.442 3.488 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1ccccc1Cc1ccccc1 42534152 UJEPFMXRQBAKJT-INIZCTEOSA-N 319.408 3.292 0 40 DGAB Cc1noc(NC(=O)COc2cc(C)c(Cl)cc2C(C)C)n1 42702317 FZFNKWFMMYLSIH-UHFFFAOYSA-N 323.780 3.481 0 40 DGAB Cc1nc2cc(F)cc(C(=O)N(C)Cc3cccnc3)c2nc1C 48354236 WCDUBEMRXGYVNA-UHFFFAOYSA-N 324.359 3.053 0 40 DGAB O=c1nc(CN(Cc2ccco2)C2CCCC2)[nH]c2ccccc12 48367858 YZQCTKUOOXITHB-UHFFFAOYSA-N 323.396 3.461 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc3ccccc3n2)n1 48407112 JGVAPCLDDMHBRU-CYBMUJFWSA-N 322.412 3.114 0 40 DGAB Cn1ncc2c1N=C(O)C[C@H]2c1ccccc1Br 49547729 VRUJNUCJAHIJBM-VIFPVBQESA-N 306.163 3.306 0 40 DGAB Cc1nc(NCc2ccco2)sc1C(=O)NC1CCCC1 49550861 ANVLNNBHCOSCJU-UHFFFAOYSA-N 305.403 3.329 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)n1 54661661 MKFWCDOJQLOMCP-LBPRGKRZSA-N 305.765 3.051 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)N1CCc2ccc(F)cc21 58741868 XELVWNVFSQTHSN-UHFFFAOYSA-N 309.344 3.224 0 40 DGAB COc1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 61469059 JFDMSXLVELPLTL-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CCOC(=O)c1ccoc1CN1CCC[C@@H](C(F)(F)F)C1 65550083 YQYFMBVVTUUNPX-SNVBAGLBSA-N 305.296 3.231 0 40 DGAB CCN(CC)C(=O)CSc1cc2c(cc1Cl)OCCO2 66262741 FSIYDORRMXZUCA-UHFFFAOYSA-N 315.822 3.072 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)c1cccc(OC)c1 66432497 DNHAYDOKZDJYDJ-UHFFFAOYSA-N 319.332 3.112 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1cccc(N(C)C(C)C)c1 68163937 SDIGCPIYBCAHPP-UHFFFAOYSA-N 300.406 3.308 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1cccc(-c2cnco2)c1 69036464 WKUGOPMGPYFXJM-OAHLLOKOSA-N 315.373 3.374 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)C(C)(C)c1ccccc1 69784047 HOGOFZYYDRZOLH-UHFFFAOYSA-N 311.381 3.352 0 40 DGAB CCN(C(=O)C1CC1)[C@H](c1ccc(OC)cc1)c1cccnc1 71903072 MICAZGOOGZNVDC-GOSISDBHSA-N 310.397 3.438 0 40 DGAB O=C(Nc1cc(F)ccc1SCC(F)F)[C@H]1CCOC1 72291402 AKWXSBIGLBWZLH-QMMMGPOBSA-N 305.321 3.158 0 40 DGAB O=C(NC[C@H](O)c1cccs1)Nc1ccc(Cl)c(F)c1 72292008 SJFYNOJYSXKWQE-NSHDSACASA-N 314.769 3.396 0 40 DGAB CC(C)CCNC(=O)COC(=O)c1ccc(C(F)(F)F)cc1 72330053 SLLZEDVKABVDJO-UHFFFAOYSA-N 317.307 3.025 0 40 DGAB CC(C)N1CCC(c2cc(C(F)(F)F)n3ccnc3n2)CC1 72366554 OYSHMNBUQPUEII-UHFFFAOYSA-N 312.339 3.336 0 40 DGAB CN(C)c1ccc(CCNC(=O)NC2CCCCCC2)cc1 75166846 ZWBSZILANHSQGT-UHFFFAOYSA-N 303.450 3.317 0 40 DGAB Cc1ccc([C@@H]2CCCCN2C(=O)CCn2ccccc2=O)cc1 76022071 ISTPSNBQPFESQK-SFHVURJKSA-N 324.424 3.301 0 40 DGAB COC(=O)c1ccc(OCc2nnc(Cc3ccccc3)o2)cc1 83895787 IHHQEGIGYVRNSH-UHFFFAOYSA-N 324.336 3.026 0 40 DGAB Cc1cscc1C(=O)N(C[C@H]1CCCO1)[C@@H]1CCSC1 84271475 MIGMMVUGYACSMA-CHWSQXEVSA-N 311.472 3.183 0 40 DGAB COc1cccc2c1OCC(=O)N([C@H](C)c1cccs1)C2 85470770 GDYAQDHSMHRZPY-LLVKDONJSA-N 303.383 3.239 0 40 DGAB Cc1cccc(CC(=O)N2CCO[C@@H](c3cccs3)C2)c1 89669450 BTPSOHHLWHKZQV-OAHLLOKOSA-N 301.411 3.199 0 40 DGAB O=C(COc1ccc(C(F)(F)F)cc1)O[C@@H]1CCCCC1=O 89782959 YDWWXVCBNADSMN-CYBMUJFWSA-N 316.275 3.139 0 40 DGAB CN(Cc1cscn1)[C@@H]1CCN(c2cccc(Cl)c2)C1=O 95408722 FCWFYTZLVYDHRX-CQSZACIVSA-N 321.833 3.034 0 40 DGAB Cc1ccc(NC(=O)NC2CC=CC2)cc1O[C@@H]1CCOC1 95414281 ZJVILHFEUXHVNN-OAHLLOKOSA-N 302.374 3.003 0 40 DGAB Cc1noc(C)c1CC[S@](=O)[C@H]1CCc2c(F)cccc21 95439222 DLWITDPAPRXLPJ-HRAATJIYSA-N 307.390 3.409 0 40 DGAB CCOC(=O)C1CCN(CCCc2ccc(CC)cc2)CC1 95940905 RTDAVVBPSGMRFJ-UHFFFAOYSA-N 303.446 3.457 0 40 DGAB COC[C@](C)(NCc1cc(OC)ccc1OC)c1ccccc1 95985823 GVBFBZKSMSJQFV-IBGZPJMESA-N 315.413 3.355 0 40 DGAB O=C(/C=C/c1ccccc1)NCCCn1ccc2cccnc21 96353364 XIFPVGNRPCZQDI-MDZDMXLPSA-N 305.381 3.256 0 40 DGAB O=S(=O)(CCCF)N1CCC(c2cc3ccccc3[nH]2)CC1 96456116 ZFRMUOCRMNEYTP-UHFFFAOYSA-N 324.421 3.037 0 40 DGAB CCO[C@@H]1C[C@H](NCCc2cn3c(n2)CCCC3)C12CCCC2 96493349 AZHRFBZNJWBEAJ-DLBZAZTESA-N 317.477 3.089 0 40 DGAB Cc1nnc(SCN2CCCCC2=O)n1[C@@H]1CCC[C@@H](C)C1 97080638 NHIFSNDZCKQPJI-TZMCWYRMSA-N 322.478 3.400 0 40 DGAB CCCOc1cccc(NC2CCN(C(=O)NCC)CC2)c1 97082117 CVNSBSRSKLBYDN-UHFFFAOYSA-N 305.422 3.081 0 40 DGAB C[C@@H](N[C@@H](C(N)=O)c1ccccc1)c1ncc(-c2ccccc2)o1 97112327 GAVSUZDFTUMDAY-CXAGYDPISA-N 321.380 3.219 0 40 DGAB Cc1nc([S@](=O)Cc2ccc(-n3cccn3)cc2)sc1C 97115203 JBVWURRKEDKSMY-NRFANRHFSA-N 317.439 3.253 0 40 DGAB Cc1cc(Br)c(I)s1 97436608 ZQHOQJNNBCJWSB-UHFFFAOYSA-N 302.962 3.424 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@H]1C[C@@H]2CC[C@@H]1O2 102687023 ODSMHPPIJZZFOH-LAEOZQHASA-N 314.154 3.094 0 40 DGAB Cc1ccccc1C1CCN(Cc2cccc(C(N)=O)c2)CC1 106861323 BMSOXHCHOFIPQB-UHFFFAOYSA-N 308.425 3.474 0 40 DGAB CCn1ncc2ccc(NC(=O)CCC(=O)OC(C)(C)C)cc21 192296111 DSOYUSSIBXEPLF-UHFFFAOYSA-N 317.389 3.117 0 40 DGAB CCc1ccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)cc1 224297525 MXGMVVJBFDWQHE-UHFFFAOYSA-N 313.405 3.366 0 40 DGAB CCc1ccc(C[C@@H](Oc2cccc(OC)c2)C(=O)O)cc1 225043415 PVPYYYKVANJWGG-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB CC[C@@]1(C)Oc2ccc(NC(=O)N(C)CC(F)F)cc2O1 225510301 YMIGULBVMZCSKA-AWEZNQCLSA-N 300.305 3.313 0 40 DGAB COc1ccc(CNC(=O)c2cc3cc(C)ccc3oc2=O)cc1 226036196 RLCFIVMASFMDDZ-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB CCN1CCN(c2cccc(N[C@H]3C[C@H](C)O[C@H](C)C3)c2)CC1 249156710 YWPDRHACRMVEHU-ALXJQNPVSA-N 317.477 3.196 0 40 DGAB CC(=O)[C@H](C(=O)Nc1ccccc1)C(=S)Nc1ccccc1 255187111 BIEUTXINKCVQSF-OAHLLOKOSA-N 312.394 3.270 0 40 DGAB Cc1cnc2n1C[C@H](c1ccccc1)N(Cc1cscn1)C2 257344951 ZZIPNWUSSUTKSR-MRXNPFEDSA-N 310.426 3.405 0 40 DGAB O=C(c1ccoc1)N1CC[C@H]2CCN(c3ccccc3)CC[C@H]21 306144346 ZCZMWUSZXWVBSM-CRAIPNDOSA-N 310.397 3.411 0 40 DGAB CCn1cc(C(=O)Nc2ccc(OC)cc2)c(=O)c2ccccc21 408713291 RQLXQNMDORVZPW-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB C[C@H]1C[C@@H](C(=O)N(C)Cc2nnc3ccccn23)CC(C)(C)C1 584908455 CTVLFSFMTLYVKL-UONOGXRCSA-N 314.433 3.150 0 40 DGAB O=C(COCC1CC1)Nc1nsc(-c2ccccc2Cl)n1 584908832 UZXRCMXUOZTDJM-UHFFFAOYSA-N 323.805 3.224 0 40 DGAB CC[C@@H](C)N1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 585100441 KOMWWOCRNFRYAF-PBHICJAKSA-N 321.490 3.289 0 40 DGAB CN(C[C@@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1 1565519545 CPBGZZHMGMCDSR-RDJZCZTQSA-N 301.434 3.415 0 40 DGAB biogenic Cc1cc(OCC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)ccn1 1775995468 XGYWNPJHFXGEOV-QGZVFWFLSA-N 314.429 3.364 0 40 DGAB CC(C)c1nccn1CC1CN(c2cnc3ccccc3n2)C1 2087144467 PKETYTZXGWNATF-UHFFFAOYSA-N 307.401 3.086 0 40 DGAB CCOC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)CC1=O 33955 CWDKUMOHKMQXFH-INIZCTEOSA-N 322.364 3.126 0 40 DGAB CCc1ccc(OCC(=O)Nc2ccc(C(=O)OC)cc2)cc1 486834 HEKVWSSZRQYZEH-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CC(=O)Oc1cc(C)c2c(=O)c(-c3nc(C)cs3)coc2c1 497147 OQYYCNKLOBIHII-UHFFFAOYSA-N 315.350 3.459 0 40 DGAB CCOc1ccccc1C(=O)OCc1ccc2c(c1)OCO2 1687359 JKWXBIUHICOLEO-UHFFFAOYSA-N 300.310 3.171 0 40 DGAB COc1ccc(-c2oc3ccccc3c(=O)c2OCC(C)=O)cc1 1994033 LPNYCVXCGBVDMC-UHFFFAOYSA-N 324.332 3.436 0 40 DGAB O=C(NC(=S)Nc1ccc(Br)cc1)C1CCC1 2136390 HOJHZQQZPMXZSD-UHFFFAOYSA-N 313.220 3.062 0 40 DGAB CC(C)(OC(=O)NCC(=O)O)c1ccc(-c2ccccc2)cc1 2384829 OKXHNIQVOZVUKR-UHFFFAOYSA-N 313.353 3.400 0 40 DGAB in-vitro CCCC[C@@H](CC)CNC(=O)C(=O)N[C@@H](C)c1ccccc1 3057462 NPXCLVIWZHBKKF-LSDHHAIUSA-N 304.434 3.196 0 40 DGAB CC(=O)c1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3259995 JGCRJHLMERQMSC-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB Cc1ccc(F)cc1NC(=O)COC(=O)c1c(F)cccc1F 3396674 KNBFROAVVOIGOB-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CCCCCC(=O)Nc1cccc(-c2nn3cnnc3s2)c1 4776883 JVKLRTSXDJPGPS-UHFFFAOYSA-N 315.402 3.372 0 40 DGAB C[C@H]1CCc2sc3nc(N4CCCC4)n4ncnc4c3c2C1 5533509 MEVPRGWXLXLIOG-JTQLQIEISA-N 313.430 3.064 0 40 DGAB CCCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)NC(=S)N1 5699373 IXSXNOOCZBRTRB-CYBMUJFWSA-N 324.833 3.086 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)/C=C/c1ccccc1 6010766 ZHEBQYIBJYEEQO-VAWYXSNFSA-N 301.367 3.302 0 40 DGAB CCCc1n[nH]c(=S)n1NCc1cc(Cl)ccc1OC 7601435 WMGRCOXWGYRGSU-UHFFFAOYSA-N 312.826 3.299 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1cc(F)ccc1F 8105639 KWSGIWVFKWKLCJ-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Nc1nc(COC(=O)c2ccc(Cl)s2)nc2ccccc12 8163834 PLVJWPPYHDWEHD-UHFFFAOYSA-N 319.773 3.284 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCOc2ccccc2C)c1 9314604 DWCPCDXZHCUOAQ-UHFFFAOYSA-N 312.369 3.361 0 40 DGAB CCCN(Cc1cc2cc(C)ccc2[nH]c1=O)C(=O)C(C)C 9462820 RHIFZLNVWAFXFQ-UHFFFAOYSA-N 300.402 3.231 0 40 DGAB C[C@@H](NC(=O)C(=O)Nc1ccc(F)c(Cl)c1)c1ccccc1 9915376 LGNGBMNZDPJMGU-SNVBAGLBSA-N 320.751 3.295 0 40 DGAB O=C(Nc1ccccc1Oc1ccccc1)c1ccc(=O)[nH]c1 10030292 LWACOWLLOLTDCZ-UHFFFAOYSA-N 306.321 3.420 0 40 DGAB Cc1cc(C(=O)CSc2nc(C3CC3)n[nH]2)c(C)n1C1CC1 11473360 PJJZTWXDUDDXNZ-UHFFFAOYSA-N 316.430 3.410 0 40 DGAB C[C@@H](NC(=O)c1cc(Br)ccc1O)c1ccncc1 12543194 LQHCCEYHBXAZAJ-SECBINFHSA-N 321.174 3.041 0 40 DGAB CC[C@H]1CCCCN1C(=O)CSc1nc2ccccc2[nH]1 12603648 UNRJVGWBOMYSMZ-LBPRGKRZSA-N 303.431 3.446 0 40 DGAB COc1cccc(NC(=O)c2nn(-c3ccccc3)cc2OC)c1 12679842 MPYHHDCKZLCBKO-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB O=C(NC/C=C/Br)Nc1cnc2ccccc2c1 12942052 FLBYEMCMKHMZTI-ZZXKWVIFSA-N 306.163 3.265 0 40 DGAB NC(=O)CSc1ccccc1NC(=O)c1cccc(Cl)c1 13165282 WTJNXGJNUOVMJU-UHFFFAOYSA-N 320.801 3.170 0 40 DGAB Cc1sc2nc(CNc3ccc(F)cc3)[nH]c(=O)c2c1C 13362352 XLYVJCXEFBYGQC-UHFFFAOYSA-N 303.362 3.353 0 40 DGAB CCN(CC)c1ccc(C(=O)NCc2ccc(OC)cc2)cc1 14095508 RQASOBVIXMAICJ-UHFFFAOYSA-N 312.413 3.471 0 40 DGAB FC(F)(F)c1ccc(NC(=S)NC[C@H]2CCCO2)cc1 16237509 WEAQSVCYOVEMOF-LLVKDONJSA-N 304.337 3.171 0 40 DGAB CCc1nc2[nH]c(C)c(Cc3cccc4ccccc34)c(=O)n2n1 17054597 QMZHOTXJDJMYQB-UHFFFAOYSA-N 318.380 3.032 0 40 DGAB CC(=O)N1CC[C@@H]2[C@H]1CCCCN2Cc1ccc(Cl)c(F)c1 19712535 KHKHUFBVUXGEGT-IAGOWNOFSA-N 324.827 3.454 0 40 DGAB CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N[C@@H]1c1ccccc1 20494376 QHPMSQMNAPOMBZ-PKOBYXMFSA-N 322.408 3.238 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1Cn1nc(C)c(Cl)c1C 22200770 RAVCXDJPMLSJFR-FNORWQNLSA-N 320.776 3.308 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)NC[C@@H]3CCCO3)sc2n1 23055188 UKQACDTVJVNZCD-LBPRGKRZSA-N 304.415 3.130 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc3c(c2)CCC3)c1 24101109 MZFJMLKTVLFHJT-UHFFFAOYSA-N 315.394 3.179 0 40 DGAB O=C(Cn1nc(C(F)(F)F)cc1C1CC1)N1CCCCCC1 28233495 ROUBPLIRUIECIY-UHFFFAOYSA-N 315.339 3.182 0 40 DGAB COc1cccc(CNC(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1 32862463 KEXXNQQRGXWXCI-GFCCVEGCSA-N 324.384 3.132 0 40 DGAB O=C(O)[C@H]1CCCN1Cc1coc(-c2cccc(Cl)c2)n1 35302333 CATKDORIZUSJMC-CYBMUJFWSA-N 306.749 3.044 0 40 DGAB Cc1ccc(Sc2nn3c(=O)cc(C)nc3s2)c(C)c1 40511131 CKAWHIRMJVHJLC-UHFFFAOYSA-N 303.412 3.227 0 40 DGAB CCN1CCc2nc(NC(=O)/C=C/c3cccs3)sc2C1 42137013 KKWCSXTYBOWVKW-AATRIKPKSA-N 319.455 3.235 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1nccs1 42652153 WMFKHZBPPBIFER-GFCCVEGCSA-N 320.418 3.085 0 40 DGAB C[C@H](NC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 48140211 WEOGAIYCYUUJAL-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB COc1cnc(C(=O)Nc2cc(Cl)cc(Cl)c2)cc1O 49549871 YHIICCVYUPORSQ-UHFFFAOYSA-N 313.140 3.355 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN(Cc1ccco1)C1CCCC1 52077098 SVYVWBFFFNLBNI-UHFFFAOYSA-N 316.405 3.003 0 40 DGAB O=C(CCc1ccco1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 53357641 QQQZSQBIRNGRAR-MRXNPFEDSA-N 309.369 3.452 0 40 DGAB COCCCOc1ccccc1NC(=O)NCc1cccs1 54472085 DOYIHKTUBDZTKY-UHFFFAOYSA-N 320.414 3.485 0 40 DGAB CN(C)[C@H](CNc1ncnc2sccc12)c1cccs1 54771838 ZDYMMBVFXYTRKS-LLVKDONJSA-N 304.444 3.468 0 40 DGAB O=C(Nc1nc2ccc(-n3cnnc3)cc2s1)c1ccccc1 57340558 LOLKOHWCPYOCPN-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB C[C@H](N[C@@H](C)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 57383650 OWAFKTDKZALUID-KBPBESRZSA-N 312.388 3.454 0 40 DGAB COc1c(CN[C@@H](C)c2sc(C)nc2C)c(C(C)C)nn1C 58407395 PQQFGGXHBJODNV-JTQLQIEISA-N 322.478 3.476 0 40 DGAB Cc1ccc(C)c(C(=O)Cn2c(-c3ccccc3)noc2=O)c1 60106927 YKHFSCADQMRGBO-UHFFFAOYSA-N 308.337 3.003 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 60360798 AGHADKZEGSOSRA-CYBMUJFWSA-N 322.836 3.109 0 40 DGAB Cc1cc(C)n([C@H]2CCN(Cc3ccc4ccccc4n3)C2)n1 65422143 FCOYAFLDMBRDJL-SFHVURJKSA-N 306.413 3.495 0 40 DGAB Cc1cccc(OCC(=O)N[C@H](C)COc2ccccc2C)c1 65720157 NOCOJVXDBMTYMG-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB COCCN(CC(F)F)C(=O)c1cc2c(C)cc(C)cc2[nH]1 67192570 PGVJXLTXCZKDGC-UHFFFAOYSA-N 310.344 3.138 0 40 DGAB CCN(CC)C(=O)NCCc1coc(-c2ccc(C)cc2)n1 69569924 DLCZJQONGSUCGI-UHFFFAOYSA-N 301.390 3.244 0 40 DGAB CCN(CC)C(=O)C1CCN(c2snc3ccccc23)CC1 69663053 CCXRDMUODQWUJB-UHFFFAOYSA-N 317.458 3.381 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(F)c1 69818692 PCBWMVXKQUZMGM-LAJNKCICSA-N 305.374 3.102 0 40 DGAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)c2cc(Cl)cn2C)C1 71830757 YTSKXPNQDXUKCD-UMVBOHGHSA-N 323.868 3.156 0 40 DGAB CCCCN1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216547 XQFDWQDXWAUIQH-SFHVURJKSA-N 316.493 3.161 0 40 DGAB CCOc1cc(C(=O)N2CCC[C@H](C)C2)nn1-c1ccccc1 72264730 ULIRPJGWRBBYEK-AWEZNQCLSA-N 313.401 3.143 0 40 DGAB CC(C)n1ccc(CC(=O)N2CCCC[C@H]2c2nccs2)n1 72300360 BKQYDAUNLPWENX-AWEZNQCLSA-N 318.446 3.217 0 40 DGAB O=C(O)/C=C/c1cnc(/C=C/c2csc([N+](=O)[O-])c2)s1 75093139 LMGYEXZQPQBEHU-ZPUQHVIOSA-N 308.340 3.381 0 40 DGAB C[C@H](c1ccccn1)N(C(=O)c1cccnc1Cl)C1CC1 75118104 ORBDNRPKBZTRBO-LLVKDONJSA-N 301.777 3.496 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)c1ccc(N2CCCC2)nn1 75172543 KJOYBUNQHQYKPC-UHFFFAOYSA-N 320.755 3.122 0 40 DGAB O=C(NC1(c2cccc(F)c2)CCOCC1)c1cccs1 76067302 QRMNOCDAVTYNJO-UHFFFAOYSA-N 305.374 3.323 0 40 DGAB O=C(Cc1ccon1)Nc1nc2ccccc2n1-c1ccccc1 76313793 URVZZYUNZDSTRE-UHFFFAOYSA-N 318.336 3.195 0 40 DGAB Cc1nc(-c2ccccc2NC(=O)N2CCC[C@@H](C)C2)no1 77678728 UBIGWNXYDHAADX-LLVKDONJSA-N 300.362 3.309 0 40 DGAB CCO[C@H]1C[C@H](OC(=O)c2ccc(OC)nc2)C12CCCCC2 78948852 SFACRGTUAQYSCE-GJZGRUSLSA-N 319.401 3.375 0 40 DGAB CC[C@H](CNC1CCN(C(C)=O)CC1)Oc1ccccc1Cl 79014958 NKLVBFJCENVEAX-OAHLLOKOSA-N 324.852 3.098 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)Cc2cc(C)on2)cc1 79307187 UAKXEPGGGIMQPA-UHFFFAOYSA-N 316.357 3.121 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1cc2cc(F)ccc2o1 89948852 JJAHZZOMSOGPDC-SUMWQHHRSA-N 318.392 3.309 0 40 DGAB Cc1cc(CSCc2nnc(-c3ccccc3)n2C)on1 91027555 PIAOIPWHEBKFOL-UHFFFAOYSA-N 300.387 3.212 0 40 DGAB c1cc(CN2CCCC[C@H]2c2ncc[nH]2)c2c(c1)OCCCO2 92728432 ICFLVHBVKQNUGZ-HNNXBMFYSA-N 313.401 3.298 0 40 DGAB COC(=O)N1CCC[C@H](N[C@H](C)c2cnc3ccsc3c2)C1 95421616 BHRPXRDIWBMLQJ-YPMHNXCESA-N 319.430 3.178 0 40 DGAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1ccccc1OC(F)(F)F 95454886 RGODPVUNRLDQOG-VHSXEESVSA-N 318.295 3.226 0 40 DGAB CSC[C@H](C)C(=O)NCCSCc1ccnc(Cl)c1 95458529 IDYKZTRMRMLFGR-JTQLQIEISA-N 318.895 3.084 0 40 DGAB COC(=O)[C@@H]1CCCC[C@H]1NCc1cc(Cl)ccc1OC 95941289 KNWOZMKRXGWWER-ZIAGYGMSSA-N 311.809 3.170 0 40 DGAB CCCn1c(C)nnc1CSc1nc2ccc(OC)cc2[nH]1 95978009 AILWBVGIUJRNAU-UHFFFAOYSA-N 317.418 3.174 0 40 DGAB Cc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CCO[C@@H]2C)n1 95983310 AQRIWMFEQCEZSH-APWZRJJASA-N 324.424 3.344 0 40 DGAB CCOc1ncc(NC(=O)c2ccc(Cl)cc2)c(OCC)n1 96098734 HAROEMMXZDZZQD-UHFFFAOYSA-N 321.764 3.180 0 40 DGAB Cc1ccc2cnn(CCC(=O)Nc3ncc(C)s3)c2c1 96181011 SMRNFZIATFFIOR-UHFFFAOYSA-N 300.387 3.138 0 40 DGAB Cc1ccc(CN2CCOCC2)cc1NC(=O)c1ccsc1 96413888 GPUQPQHSWNLQEV-UHFFFAOYSA-N 316.426 3.141 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1 96475456 XVCBTHMIGDTYRP-VHSXEESVSA-N 301.358 3.027 0 40 DGAB CCS(=O)(=O)[C@H](C)[C@@H](N)c1ccc(-c2ccccc2)cc1 96524822 ONHRJNJEAOITIJ-CXAGYDPISA-N 303.427 3.177 0 40 DGAB CCc1oc2ccccc2c1CNCC1(O)CCSCC1 97002445 REVKUGHVSHKILH-UHFFFAOYSA-N 305.443 3.343 0 40 DGAB C[C@@H](Nc1cccc(F)c1)c1ccc(NS(C)(=O)=O)cc1 97037047 NSTFCCZUAFHRKJ-LLVKDONJSA-N 308.378 3.370 0 40 DGAB Cc1nnc([C@H](C)N[C@@H](C)c2cnn(Cc3ccccc3)c2)o1 97374523 ACTORXQUEIJEBA-STQMWFEESA-N 311.389 3.035 0 40 DGAB COc1ccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)cc1 100640765 VGXDUIAFPFVOJK-QGZVFWFLSA-N 304.353 3.343 0 40 DGAB CCOC(=O)c1cnc2c(F)cc(C(F)(F)F)cc2c1O 103289253 FQHXLVLDLCYYBP-UHFFFAOYSA-N 303.211 3.275 0 40 DGAB O=C(NCC[C@@H]1C[C@H]2CC[C@H]1C2)c1ccccc1-n1cccn1 107334459 VBDURKIXCQNKIZ-HRCADAONSA-N 309.413 3.428 0 40 DGAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)C1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12 108487908 VUNJWCPIEQQKNN-OELWXQPESA-N 315.388 3.195 0 40 DGAB COc1cccc(O[C@H](C)CNC(=O)N2[C@H](C)CC[C@H]2C)c1 152329935 WAZUFTDDIZYDPB-MGPQQGTHSA-N 306.406 3.045 0 40 DGAB C[C@H](O)CCN[C@@H](c1ccc(Br)cc1)c1ccco1 195555487 KRIQRXPJVNSARC-NHYWBVRUSA-N 324.218 3.492 0 40 DGAB CCc1c(NCc2ncccn2)cnn1-c1ccc(Cl)cc1 225726543 MIGCEAJKPCLUFP-UHFFFAOYSA-N 313.792 3.490 0 40 DGAB CN(C)C1CCN(c2ncc(Br)cc2Cl)CC1 234253102 JJXIVMCIHZUKGT-UHFFFAOYSA-N 318.646 3.028 0 40 DGAB O=C(NC[C@](O)(c1ccoc1)c1cccs1)c1ccsc1 244950832 FNODIYAEBYBCKX-HNNXBMFYSA-N 319.407 3.069 0 40 DGAB CC(=O)N1CCC(Cc2cncc(-c3ccccc3F)n2)CC1 257275519 NPSORFFFJVKNFK-UHFFFAOYSA-N 313.376 3.084 0 40 DGAB c1cc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)ccn1 257282988 OWEARGWSRVZRAZ-GOSISDBHSA-N 321.424 3.254 0 40 DGAB Cc1nc(Nc2ncc(C)s2)cc([C@@H]2CCN(C(C)C)C2)n1 257300722 RVLNYMOCTOWCPI-CYBMUJFWSA-N 317.462 3.491 0 40 DGAB c1cnc(C[C@H]2CC3(CCN(C4CCCCC4)CC3)CO2)cn1 257315122 UZZIIDMMLYOOEH-SFHVURJKSA-N 315.461 3.223 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(Cc2nccs2)C3)c1 306135042 OFUXQKWLWVIKCB-UHFFFAOYSA-N 310.426 3.331 0 40 DGAB Cc1ccc(C)c(NC(=O)Nc2cc(C(=O)N(C)C)ccn2)c1 390835801 YPEYKUFTQUOYJQ-UHFFFAOYSA-N 312.373 3.044 0 40 DGAB COc1ccc(C(=S)NCc2ccccc2OC)c(OC)c1 408571678 CIJIDEYBTCRCDP-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB NC(=O)C(=O)c1cn(Cc2ccc(Cl)cc2)c2ccccc12 408577797 ZXVNJXMYONXTDS-UHFFFAOYSA-N 312.756 3.011 0 40 DGAB CCC(CC)(CNC(=O)CCCCOC)C(=O)OC(C)(C)C 521395795 BNBLJIAQYDXGKK-UHFFFAOYSA-N 315.454 3.067 0 40 DGAB C[C@H]1C[C@@H](c2ccc(F)cc2)CN1Cc1ccc(C(=O)O)cn1 576761288 GZYCDOOKTJLWFH-SWLSCSKDSA-N 314.360 3.297 0 40 DGAB Cc1ccsc1CCC(=O)N1CCCC[C@H]1c1ccnn1C 1775986110 VSTBGULEWLYOPO-HNNXBMFYSA-N 317.458 3.476 0 40 DGAB COC(=O)c1sc(NC(=O)c2ccccc2Cl)nc1C 70931 BRBMIDHRBUCQQX-UHFFFAOYSA-N 310.762 3.144 0 40 DGAB CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)c(C)oc2c1 138781 TWVFAFGGICGXQU-UHFFFAOYSA-N 315.350 3.459 0 40 DGAB biogenic Clc1cccc([C@H]2C[C@H](c3cccnc3)Nc3ncnn32)c1 221872 NVQKFOSOXFPIQV-HUUCEWRRSA-N 311.776 3.473 0 40 DGAB COc1ccc(N[C@@H]2CCN(c3ccccc3)N2C(C)=O)cc1 282719 UIWALXYIVAYDOP-SFHVURJKSA-N 311.385 3.107 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc(OC)cc1OC 482850 IXKLFYQWRZXXFB-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB O=C(Nc1cccc(O)c1)c1ccc(NC(=O)c2ccco2)cc1 814755 QOFFSURXOPMMAD-UHFFFAOYSA-N 322.320 3.490 0 40 DGAB CCOC(OCC)c1nc(N)nc(N)c1-c1ccc(Cl)cc1 1668015 NPJLYHCUOUTWRS-UHFFFAOYSA-N 322.796 3.033 0 40 DGAB CCCC[C@@]1(C)NC(=S)N2N1C(=S)N[C@]2(C)CCCC 2366842 RDNFFQNLAUZJTP-KBPBESRZSA-N 314.524 3.094 0 40 DGAB COc1ccc(C(=O)COC(=O)/C=C/c2cccs2)cc1 2629068 MSIKCCKVRAZSDC-CMDGGOBGSA-N 302.351 3.196 0 40 DGAB Cc1ccc(NC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)cc1 2657882 FDWIHAOOPAQGTO-UHFFFAOYSA-N 311.263 3.346 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1cccn1C 4166570 MDNDDGAMPQNOTB-IJEWVQPXSA-N 321.417 3.186 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CCC2=O 4655087 VRHVOUYZPKSINF-KKAFLPRUSA-N 302.414 3.346 0 40 DGAB CC[C@@H](C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 5120496 RCNSVVFHLUSVRQ-SSDOTTSWSA-N 315.744 3.436 0 40 DGAB COc1ccc2ccc(OCC(=O)NCc3ccco3)cc2c1 5365794 CFTUTSMHECYZAU-UHFFFAOYSA-N 311.337 3.137 0 40 DGAB Cc1nn(C)c(C)c1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 5602658 JBGDCVIHHOTPOL-UHFFFAOYSA-N 321.446 3.135 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)N1CCc2ccccc21 6013202 MJUIHZFUTQLZFR-RUMSDORHSA-N 321.376 3.221 0 40 DGAB Cc1ccc(C(=O)NCC(=O)Nc2ccc3c(c2)CCC3)cc1C 6084048 OQZRQAJYHJKXTN-UHFFFAOYSA-N 322.408 3.161 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2)cc1OCC 7360611 OOYNILOBYWVMNG-UHFFFAOYSA-N 321.398 3.285 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1sccc1C 8309954 BEGAUFLBMPJEJS-UHFFFAOYSA-N 316.426 3.330 0 40 DGAB Cc1ccc(-n2nnnc2-c2cncnc2-c2ccccc2)cc1 8702029 UCRZJFCMOUVQNS-UHFFFAOYSA-N 314.352 3.095 0 40 DGAB O=C(CCCc1nc(-c2cccs2)no1)NCc1ccco1 9699740 UVVPUAINIRJHSH-UHFFFAOYSA-N 317.370 3.030 0 40 DGAB CSc1cccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)c1 9913287 FJXRREUADKBCMZ-LBPRGKRZSA-N 314.410 3.224 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3C[C@H](C)O[C@H](C)C3)sc2n1 10091831 PNXNBDGJXHVFJR-TXEJJXNPSA-N 318.442 3.471 0 40 DGAB COc1ccc2cc(C(=O)N[C@@H](CC(C)C)C(=O)O)ccc2c1 12775500 PQFGETIRHZBYEY-INIZCTEOSA-N 315.369 3.078 0 40 DGAB CCOc1ccc2nc(SCC(=O)NC(CC)CC)[nH]c2c1 13284304 YLQDYKRPIRENRS-UHFFFAOYSA-N 321.446 3.359 0 40 DGAB O=c1[nH]c2ccc(NC(=S)Nc3ccccc3Cl)cc2[nH]1 13479367 ZFWDGFZLOZTDMO-UHFFFAOYSA-N 318.789 3.319 0 40 DGAB Oc1cccc(-c2nnc(S)n2-c2cccc3ncccc23)c1 13551569 KXFVOYMRSUWLTF-UHFFFAOYSA-N 320.377 3.477 0 40 DGAB CCc1nnc2sc(-c3ccc(Br)cc3)nn12 13945090 RXGCOLRRBDBDME-UHFFFAOYSA-N 309.192 3.178 0 40 DGAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2nsnc2c1 15841235 XYEBWGZJHYOHBY-VIFPVBQESA-N 317.345 3.236 0 40 DGAB COC(=O)c1ccccc1OCc1nc2ccccc2nc1C 16265489 JUACUZDAEZJGKH-UHFFFAOYSA-N 308.337 3.304 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)C34CC5CC(CC(C5)C3)C4)ccc21 16916310 LYRGPIBCZHXRLC-UHFFFAOYSA-N 324.424 3.360 0 40 DGAB CCOc1ccc(CCC(=O)NC2CCCC2)cc1OCC 20048343 OHGWIDAAKCCOFS-UHFFFAOYSA-N 305.418 3.475 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccccc1 20488479 WUEVGTVZRUEHDV-KRWDZBQOSA-N 301.361 3.342 0 40 DGAB O=C(O)[C@@H]1CC2(SCCCS2)c2cc(F)ccc2O1 26460455 YMQXVPAZYSEQDG-NSHDSACASA-N 300.376 3.084 0 40 DGAB COc1ccc(C)cc1CN1C(=O)N(C)C2(CCCCC2)C1=O 29464708 XAWNNDNMJPHFLX-UHFFFAOYSA-N 316.401 3.101 0 40 DGAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)[C@H]1CCCN1 32232123 TUANARVBQKQAAK-QGZVFWFLSA-N 314.360 3.095 0 40 DGAB Cc1nc(NC(=O)[C@H](C)Nc2ccc(F)c(F)c2)sc1C 32579470 XRVOWTZMHLIOTE-QMMMGPOBSA-N 311.357 3.477 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)c1 35313375 VIANHLFXZXQKLN-INIZCTEOSA-N 324.428 3.257 0 40 DGAB CC1CCN([C@@H](CNC(=O)C2CCC2)c2cccs2)CC1 36310340 KQHLYRCEVGXEOX-HNNXBMFYSA-N 306.475 3.437 0 40 DGAB Fc1ccc(-c2nnc3sc(-c4cccnc4)nn23)cc1F 36357584 NOOMKYFTNODSDG-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB O=C(NCC1CCN(Cc2ccco2)CC1)Nc1cccs1 38489583 MOFRLWZGEAECDM-UHFFFAOYSA-N 319.430 3.375 0 40 DGAB O=C(Nc1cnc(-c2ccccc2)nc1)c1cccc2cn[nH]c12 40091057 IFQQDQBVCKUXFL-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB C[C@H](NC(=O)c1cccc(N2CCOC2=O)c1)c1cccs1 40544249 XBNFMJVKBHLBCP-NSHDSACASA-N 316.382 3.196 0 40 DGAB O=C(CCc1ccccc1)NCC1CCN(c2ccccn2)CC1 43975488 YVSODCIFMUKQQA-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccccc2F)C1 44140370 CRUYUDPGENQQIF-KBPBESRZSA-N 323.481 3.480 0 40 DGAB Cc1cn2nc(Sc3ccc4c(c3)OCCCO4)sc2n1 44648721 FTEGAUFSQQXKRU-UHFFFAOYSA-N 319.411 3.412 0 40 DGAB CC(C)[C@@H](NC(=O)N[C@@H](C)Cn1ccnc1)c1cccs1 45123918 HSRSOUPQHJNENC-GXTWGEPZSA-N 306.435 3.030 0 40 DGAB COc1ccc([C@H]2CCCN2CC(=O)N2CCC[C@@H](C)C2)cc1 48324368 IUXIBHYGDCVOED-CRAIPNDOSA-N 316.445 3.091 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3c(c2)OCCO3)c(C)c1 51355846 GNBSNFPZOBTSNK-UHFFFAOYSA-N 314.341 3.419 0 40 DGAB COc1c(C)cc(CNCc2cccc(NC(N)=O)c2)cc1C 58227717 BBWTYVBZINXKRF-UHFFFAOYSA-N 313.401 3.092 0 40 DGAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1cccnc1 58297565 UNQCZFPTXMITIM-UHFFFAOYSA-N 308.385 3.206 0 40 DGAB CCN(Cc1nnsc1Cl)Cc1c(F)cccc1F 59409850 GLWIBASZLFPCTM-UHFFFAOYSA-N 303.765 3.492 0 40 DGAB COc1cc(OC)cc([C@H]2CC(c3ccccc3)=NN2C(C)=O)c1 64303489 NYYOITFRFBXMQK-LJQANCHMSA-N 324.380 3.401 0 40 DGAB CC(C)(C)c1cnc(CN2CC[C@H](CNc3ccccn3)C2)o1 65457895 FAASUHNCFJKLAJ-CQSZACIVSA-N 314.433 3.301 0 40 DGAB Cc1n[nH]cc1NC(=O)COC(c1ccccc1)c1ccccc1 65538695 JSIJKDRXINBAJL-UHFFFAOYSA-N 321.380 3.463 0 40 DGAB Cc1cc(NC(=O)c2nc(-c3ccco3)sc2C)n(C)n1 65551536 DXFPJRPRXJXEHP-UHFFFAOYSA-N 302.359 3.006 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1 69322040 QFWSMBSHEDNIAI-SKDRFNHKSA-N 303.387 3.059 0 40 DGAB Cc1ccccc1-n1c(C)nnc1SCC1CCOCC1 69738034 KDWHQALSSLLGNE-UHFFFAOYSA-N 303.431 3.403 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCO[C@H](c2ccccc2Cl)C1 69846319 SYZHJYVEJGPGNZ-CJNGLKHVSA-N 323.820 3.199 0 40 DGAB CN(C)c1cc(NC(=O)c2ccc(F)cc2)c(Cl)cc1N 72229326 LMJKYGRGTUEVHW-UHFFFAOYSA-N 307.756 3.380 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@H](O)C1)c1csc2ccccc12 72268283 PPLXEVKGQCCOJF-NEPJUHHUSA-N 304.415 3.129 0 40 DGAB COc1ccccc1CC(=O)N[C@@H](c1nc(C)cs1)C1CC1 72296758 IQSMFOWIYHGOHK-MRXNPFEDSA-N 316.426 3.270 0 40 DGAB CN(C)c1cc(C2CCN(C(=O)Cc3ccccc3)CC2)ccn1 72368670 YDFOJOIZPWBBBM-UHFFFAOYSA-N 323.440 3.096 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)on2)C1 73189925 YWCOOQGHAUODGS-GFCCVEGCSA-N 309.410 3.253 0 40 DGAB COc1ccccc1-n1nnnc1Nc1ccc(Cl)cc1 73667286 LLHRFTXNYKKXRA-UHFFFAOYSA-N 301.737 3.068 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCC[C@@H]1CNC(=O)OC(C)(C)C 76023137 YSSKKAQFPMDKGZ-OCCSQVGLSA-N 322.405 3.011 0 40 DGAB O=C(CSc1nncs1)NCc1csc2ccccc12 77229855 CTGMIGOQSXGBMR-UHFFFAOYSA-N 321.452 3.161 0 40 DGAB CCOc1ccc([C@@H]2CCCN2C(=O)c2cc(C)n(C)n2)cc1 77570654 KVAPHXUTZNABEG-KRWDZBQOSA-N 313.401 3.105 0 40 DGAB Cc1nccc(CNC(=O)C2(c3cccs3)CCCCC2)n1 78081721 MAYWXJQERSYMLT-UHFFFAOYSA-N 315.442 3.365 0 40 DGAB C/C=C/CCNC(=O)N(C)[C@H](C)c1ccc([S@@](C)=O)cc1 83228583 CTFREKIFFAJWOS-UMSZRFHISA-N 308.447 3.093 0 40 DGAB O=C(Nc1cccc(CNC(=O)[C@H]2C[C@H]2C2CC2)c1)C1CCC1 84374382 PCDZSCUZKDJIKP-IRXDYDNUSA-N 312.413 3.088 0 40 DGAB C[C@H](NC(=O)N[C@H]1C=CCCC1)c1noc(-c2ccccc2)n1 89913719 GVMQFJQCGGEELT-JSGCOSHPSA-N 312.373 3.206 0 40 DGAB C[C@H]1CC[C@@H](Nc2cc(Cl)ccc2CS(C)(=O)=O)C1 92169825 IXGNOURLOVKHSU-GXFFZTMASA-N 301.839 3.485 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@@H]1CC=CCC1 95421056 FUMMCBXHIJWKCL-HUUCEWRRSA-N 302.418 3.358 0 40 DGAB N[C@@H](c1ccc(Cl)cc1)c1nc(COc2ccccc2)n[nH]1 95533933 WDCHSUPVSFRMSB-HNNXBMFYSA-N 314.776 3.085 0 40 DGAB CC(C)CC1(C(=O)N2CC[C@H](Cc3cnn(C)c3)C2)CCC1 95964981 VBNITVXVEBPEDU-OAHLLOKOSA-N 303.450 3.028 0 40 DGAB CC[C@@]12CCCN1C(=O)N(Cc1cnc(CC(C)C)s1)C2=O 95992623 YELNUYIMUPRDQQ-INIZCTEOSA-N 321.446 3.048 0 40 DGAB CC(C)CN1C(=O)[C@]2(CCN(Cc3ccco3)C2)c2ccccc21 96100293 BIXZCABVYXZFFJ-FQEVSTJZSA-N 324.424 3.426 0 40 DGAB CO[C@]1(C)C[C@H](N(C)Cc2nccn2CC(F)(F)F)C1(C)C 96443600 WMBWVLLQXSLEGD-SMDDNHRTSA-N 319.371 3.081 0 40 DGAB O=C(CSc1ccccc1)NCc1nc2ccc(F)cc2[nH]1 96444435 WLJUHZLRIXSWPQ-UHFFFAOYSA-N 315.373 3.111 0 40 DGAB CC(=O)NC(C)(C)c1noc(CCC(C)(C)c2ccccc2)n1 96483999 ZWUVIBAYQPUHGK-UHFFFAOYSA-N 315.417 3.351 0 40 DGAB CCS(=O)(=O)[C@H](C)[C@H](O)c1ccc(-c2ccccc2)cc1 96519385 SRIKUSLQBMGGCO-DYVFJYSZSA-N 304.411 3.210 0 40 DGAB O=[S@@](Cc1nccs1)Cc1ncc(Cl)cc1Cl 97148597 WKILMUYKNOUAEC-KRWDZBQOSA-N 307.227 3.294 0 40 DGAB CN(C(=O)C1[C@H]2CCC[C@H]12)C1CCN(c2ccc(F)cc2)CC1 101478072 RMPHNSHDLSNJII-IRXDYDNUSA-N 316.420 3.299 0 40 DGAB O=C(NCc1ncc[nH]1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 107068094 YXUZWQAWVMFWGU-TXPKVOOTSA-N 309.413 3.075 0 40 DGAB CC(=O)NC1CCC(NCCc2c(F)cccc2Cl)CC1 133581869 HISSJXUMYOKFGY-UHFFFAOYSA-N 312.816 3.059 0 40 DGAB CC(C)n1c([C@H](C)NC[C@@H](O)C(F)(F)F)nc2ccccc21 162359932 FXAUGKGTKWRFCD-GXFFZTMASA-N 315.339 3.191 0 40 DGAB COc1ncncc1NC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1 162888783 JFRQFSBGEATYFL-WCQYABFASA-N 316.361 3.083 0 40 DGAB O=C(c1ccc(OC[C@@H](O)CC2CCCC2)cc1)N1CCCC1 191370033 YXBBPOFPUAYMPG-KRWDZBQOSA-N 317.429 3.243 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)N[C@@H](C)CC 225050772 QUXOIWZIYQVRMU-JKSUJKDBSA-N 318.461 3.427 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)Nc1cccc(OC)c1 225763048 SNZVTMNIOSRQRU-MRXNPFEDSA-N 319.449 3.471 0 40 DGAB CCc1nc2cc(C(=O)N(C)c3ccc(OC)cc3)ccc2n1C 225895307 WACOUOSYCSZPCJ-UHFFFAOYSA-N 323.396 3.421 0 40 DGAB CCO[C@H]1CSC2(C1)CN(C(=O)c1cc3ccccc3o1)C2 253381655 FMNNPVNBMUKRHE-CYBMUJFWSA-N 317.410 3.169 0 40 DGAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccsc3)C2)n1 257244973 INOJOSKZIXXDJM-CYBMUJFWSA-N 315.442 3.147 0 40 DGAB O=C(O)[C@H]1C[C@@H]1C(=O)N(Cc1ccsc1)c1ccccc1 262089603 HTWJRDLBWLEFAU-KBPBESRZSA-N 301.367 3.002 0 40 DGAB Cc1ccc(-c2cc(NC(=O)Cc3c(C)noc3C)[nH]n2)s1 299470805 AJOYBSIJXNUXLO-UHFFFAOYSA-N 316.386 3.233 0 40 DGAB COc1ccc(/C=C\C(N)=O)cc1OCc1ccc(Cl)cc1 361634171 ADTBRHCMHLEAQI-UITAMQMPSA-N 317.772 3.426 0 40 DGAB O=C(CN1CCC(C(F)(F)F)CC1)Nc1ccc(F)cc1 533305013 CZYRBNZJNBBGLX-UHFFFAOYSA-N 304.287 3.039 0 40 DGAB O=C(Cc1ccoc1)N1CCC[C@H](Cn2cnc3ccccc32)C1 585079695 MGHNBGNQTXPXTA-INIZCTEOSA-N 323.396 3.111 0 40 DGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC(c2cnccn2)CC1 585180273 IIONXJTYHUEUTN-UHFFFAOYSA-N 324.359 3.117 0 40 DGAB CCc1ccc(C(=O)N2CC[C@@]3(COc4ccc(C)cc43)C2)cn1 1565555708 OGSYTYGQVOOFHD-FQEVSTJZSA-N 322.408 3.129 0 40 DGAB Cc1ccc([C@@H]2CCN(C(=O)c3cnc4c[nH]nc4c3)C2)c(C)c1 1568640647 HJITZVMVKCLIBW-CQSZACIVSA-N 320.396 3.204 0 40 DGAB Cc1nccn1CC1CN(c2nc3ccc(Cl)cc3o2)C1 2086889559 TZOURWUTTYPEKZ-UHFFFAOYSA-N 302.765 3.123 0 40 DGAB CCOc1ccc(NC(=O)Cn2nc(C(F)F)cc2C)cc1 2759867 PGFKBGQSFWVGTA-UHFFFAOYSA-N 309.316 3.167 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1noc2c1CCCC2 426353 CVYGEZNZPWWJLF-UHFFFAOYSA-N 306.749 3.468 0 40 DGAB O=C(Nc1ccc(OCc2ccncc2)cc1)c1ccncc1F 78111424 VEAYJZSGBZKWCY-UHFFFAOYSA-N 323.327 3.447 0 40 DGAB COc1ccccc1OCC(=O)N[C@H](C)CCc1ccccc1 3383429 WOSAKCOIUUSSGP-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB COc1ccccc1[C@H](C)Nc1ncc(C(N)=O)cc1Cl 54042444 DWDCNZZMZNMWDD-VIFPVBQESA-N 305.765 3.016 0 40 DGAB CCCCc1ccc(C(=O)Nc2ccccc2-n2cnnn2)cc1 61718243 OBFANYDIMUJLSI-UHFFFAOYSA-N 321.384 3.257 0 40 DGAB COCCn1c(-c2cc3ccccc3cc2O)n[nH]c1=S 8206239 YKTCLWYOPQMADD-UHFFFAOYSA-N 301.371 3.113 0 40 DGAB Cc1cc(C)cc(OC(=O)[C@]23CC[C@@](C)(C(=O)O2)C3(C)C)c1 100280342 RVBTZBDMGBJGEF-ROUUACIJSA-N 302.370 3.331 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1-c1ccccc1 24477116 OMASOUIEQUBYQE-UHFFFAOYSA-N 305.381 3.359 0 40 DGAB CC[C@H]1CCc2sc(C(=O)N(C)Cc3cnn(C)c3)cc2C1 24474146 GAKXBEIODCHHOI-LBPRGKRZSA-N 317.458 3.269 0 40 DGAB Cc1ccccc1CSc1nc(C(F)(F)F)cc(=O)n1C 1400817 DWKSHKPTJXZLLE-UHFFFAOYSA-N 314.332 3.400 0 40 DGAB CC(C)Cc1noc(CNc2cccc(NC(=O)C(C)C)c2)n1 55835950 CIWDVTWFKHHIMH-UHFFFAOYSA-N 316.405 3.475 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCN(c2ccc(F)cc2)CC1 1501744 QXYJGSSSVQBXJB-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB CC(C)N1COc2c(Cl)cc3c4c(c(=O)oc3c2C1)CCC4 57135038 KFYIINUHRRAHCV-UHFFFAOYSA-N 319.788 3.495 0 40 DGAB C[C@H]1CCCN(c2ccc3nnc(-c4ccccc4F)n3n2)C1 57126564 XRYSVETYAOCDFB-LBPRGKRZSA-N 311.364 3.167 0 40 DGAB Cc1ccc(C)c(N2CCN(c3ccnc(Cl)n3)CC2)c1 57315470 OUJQJRLHUAOUJW-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)OC23CCCCC3)cc1F 57355721 MWTRGGNEDQYVLU-CYBMUJFWSA-N 305.349 3.339 0 40 DGAB CCN(CC)c1ccc(NC(=O)CN2CCC(C)CC2)cc1 58164913 TUDJBDREWGYEIF-UHFFFAOYSA-N 303.450 3.203 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2ccc(C(C)(C)C)cc2)on1 44938125 FYVGWFOUQAJYNJ-UHFFFAOYSA-N 307.415 3.396 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCC(n2cccc2)CC1 58413422 VUOCHCIWSVXNAB-UHFFFAOYSA-N 322.364 3.072 0 40 DGAB C[C@H]1Oc2ccc(N)cc2N(Cc2ccc(Cl)cc2)C1=O 11568965 PFYGRTWJFMYAFX-SNVBAGLBSA-N 302.761 3.236 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)o1 3464411 FYPXECUXEZQESF-SNVBAGLBSA-N 322.748 3.129 0 40 DGAB CC(C)CCNC(=O)CSc1nnc(-c2cccs2)o1 3412857 LOZRYITUHWZDES-UHFFFAOYSA-N 311.432 3.053 0 40 DGAB COC(=O)c1cc(/C=C/C(=O)Nc2ccccc2OC)oc1C 8848987 PSQDAOPPFRCYPV-CMDGGOBGSA-N 315.325 3.035 0 40 DGAB CC(C)c1nn(C)cc1CNCCc1cnn(-c2ccccc2)c1 48710903 BMVVPGTZRGJPSD-UHFFFAOYSA-N 323.444 3.062 0 40 DGAB CCc1ccccc1NC(=O)CNc1ncnc2ccsc12 8942493 KJYMEALHYDAHMG-UHFFFAOYSA-N 312.398 3.304 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 5245826 WSJVAXCFTSADPC-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2cccc3ccccc23)no1 14017158 NVEBLBRKCROTEV-GFCCVEGCSA-N 324.336 3.320 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)c1ccc(F)cc1 20489105 MIWDFRCLJZTTBR-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1nc2c(s1)CCC2 6526846 YZRYYNAQOVECIY-UHFFFAOYSA-N 308.790 3.303 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2Sc2nncn2C)o1 71893370 WSXOTUFHVNXBRV-UHFFFAOYSA-N 314.370 3.120 0 40 DGAB CCOCCOc1ccccc1C(=O)Nc1cc(N)ccc1F 19736785 UBLFXMWQYPANJQ-UHFFFAOYSA-N 318.348 3.076 0 40 DGAB CC(C)(C(=O)N1CCC(Nc2cccnc2)CC1)c1ccccc1 68338618 HYLMJWITELVPNQ-UHFFFAOYSA-N 323.440 3.462 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2Cc2nc(C)c3ccccc3n2)c1 70039433 NPOURJWXTHJURV-INIZCTEOSA-N 321.428 3.108 0 40 DGAB C[C@@H]1CCCCN1CCCNC(=O)c1cc2ccccc2o1 8351286 LNYPMKIIOFZSMU-CQSZACIVSA-N 300.402 3.427 0 40 DGAB c1cc(NC2CCCCC2)ccc1Nc1ccc2nnnn2n1 69527638 GNDNKEDHLOGVNQ-UHFFFAOYSA-N 309.377 3.008 0 40 DGAB CCn1ccnc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 69740345 SRDAFJKVZMBRHU-QGZVFWFLSA-N 322.368 3.263 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCSC2(CCCCC2)C1 96456668 XTWWNTPODHKDQT-UHFFFAOYSA-N 323.462 3.253 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(Cl)nc2)[C@@H](c2ccccc2)CO1 96433387 XANSTMYTUVWILP-IUODEOHRSA-N 316.788 3.337 0 40 DGAB Cc1cc(O)n2nc(SCc3ccc(Cl)cc3)nc2n1 18240916 HFDSPNORIYTJRS-UHFFFAOYSA-N 306.778 3.084 0 40 DGAB CC(C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 8753875 NVUKHMYUUNTVKU-UHFFFAOYSA-N 301.365 3.028 0 40 DGAB COc1ccc(C)nc1NC(=O)N1CCC[C@@H]1c1ccncc1 97378667 IZFMOLIWGYQLLX-CQSZACIVSA-N 312.373 3.163 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cc(-c3ccccc3)ns2)CCO1 84715095 JSTZZXNXXNKTBU-LLVKDONJSA-N 303.387 3.063 0 40 DGAB CCOc1ccccc1C(F)(F)C(=O)N[C@@H](C)c1ccncc1 95435505 GUIAUNGENUJHHQ-LBPRGKRZSA-N 320.339 3.450 0 40 DGAB CC(C)c1cc(C(=O)N(C)[C@H](c2cccnc2)C(C)C)nn1C 95405767 PPJWYMAZOBXTTE-KRWDZBQOSA-N 314.433 3.408 0 40 DGAB O=C(CC1CCOCC1)N(Cc1ccccc1)c1ccncc1 95996669 NVVYZNXEYUPQEZ-UHFFFAOYSA-N 310.397 3.432 0 40 DGAB Cc1ccc([C@@H]2CN(C(=O)Nc3cc(C(C)C)on3)CCO2)o1 95974354 ICZJFLHCBQLEOF-AWEZNQCLSA-N 319.361 3.305 0 40 DGAB COCc1cc(-c2nc(-c3ccc(F)cc3Cl)no2)no1 95962323 LWNLGLIDTJILDZ-UHFFFAOYSA-N 309.684 3.331 0 40 DGAB CCn1cc(C(=O)Nc2ccc(F)cc2OCC2CC2)cn1 76019373 ZVSCFPUKVLJFTL-UHFFFAOYSA-N 303.337 3.083 0 40 DGAB Cc1ccc(N2CCC[C@@H](c3nnc4n3CCCCC4)C2)nc1 76061620 DOMIOKPLCNUEDS-OAHLLOKOSA-N 311.433 3.092 0 40 DGAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)c2cnn(C)c2)c1 27919169 IZIQEOHHKVICGC-VIFPVBQESA-N 309.822 3.286 0 40 DGAB CCOc1c(Br)cc(/C=C/C(=O)OC)cc1OC 62714708 TXVWWDKBOMBRAP-AATRIKPKSA-N 315.163 3.043 0 40 DGAB CC(=O)O[C@H](C)CCc1ccc(CC[C@@H](C)OC(C)=O)cc1 3844811 KLOYZTASLWUIKP-ZIAGYGMSSA-N 306.402 3.455 0 40 DGAB biogenic C[C@H]1CN2CCC[C@H]2CN1Cc1ccc(Br)s1 72324499 DHYMOBDSLLFTKQ-QWRGUYRKSA-N 315.280 3.179 0 40 DGAB CCOC(=O)CCC(=O)Nc1nc(C)c(-c2ccccc2)s1 31967984 MMIDUFLGVJIXEP-UHFFFAOYSA-N 318.398 3.400 0 40 DGAB Cn1ccnc1CN1CC[C@@H](Cc2cccc3ncccc23)C1 72367627 ZSIOIIMIXBELFE-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB COc1cccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)c1 71977889 KHKQRIUCVJYAFK-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc(N(C)C)c(N)c2)cc1 226268030 HIPCDMAWCMCWMN-UHFFFAOYSA-N 313.401 3.374 0 40 DGAB Cc1c(C(=O)O)sc2nc(COc3ccccc3Cl)nn12 224971986 WSALBSOTLWUYQZ-UHFFFAOYSA-N 323.761 3.030 0 40 DGAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1cccc(Cl)c1 42646113 PDAOSFNTABHAMH-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB COCc1nc2cc(NCc3nc4ccccc4n3C)ccc2o1 80342695 KWNRSGXDPRWLEI-UHFFFAOYSA-N 322.368 3.473 0 40 DGAB O[C@@H](CSCc1ccn(-c2ccccc2)n1)C(F)(F)F 191124979 FUZUDIWVCDNRNA-LBPRGKRZSA-N 302.321 3.029 0 40 DGAB Cn1c(-c2ccc3c(c2)OCO3)cnc1NCc1ccc(O)cc1 199412807 HANLKTNWHOEDKK-UHFFFAOYSA-N 323.352 3.134 0 40 DGAB O=S(=O)(c1cccnc1)N(Cc1ccoc1)C1CCCCC1 96428254 DJHYEMHEVQEYBC-UHFFFAOYSA-N 320.414 3.198 0 40 DGAB Cc1cnccc1NC(=O)c1oc2ccccc2c1CN(C)C 96436398 JMDRWMBVDSGCCI-UHFFFAOYSA-N 309.369 3.450 0 40 DGAB Cc1nc([C@@H]2C[C@@H]3CCN(Cc4sccc4C)C[C@H]3O2)no1 96046413 LRYVKTNQGVHGEG-MELADBBJSA-N 319.430 3.100 0 40 DGAB OCCCN(Cc1cscn1)[C@@H]1CCCc2ccccc21 96455361 DAVIZYKBVDKXLH-QGZVFWFLSA-N 302.443 3.405 0 40 DGAB COCCCCNC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C 96415235 NXFUQRWLTGOXTD-HZPDHXFCSA-N 304.434 3.309 0 40 DGAB CN(CCO)C(=O)Nc1ccccc1-c1cc(F)c(F)c(F)c1 96447272 XSGHSUGIVBLHAD-UHFFFAOYSA-N 324.302 3.227 0 40 DGAB Cc1cccnc1CSc1nnc(NC[C@H]2CCCO2)s1 92850017 PVIUEQGPPGEZAB-LLVKDONJSA-N 322.459 3.125 0 40 DGAB CC(=O)Nc1cc(Cl)c(NC(=O)COC(C)C)c(Cl)c1 585125456 STDQZZYJKJZFFE-UHFFFAOYSA-N 319.188 3.315 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)c1 257238426 HKYNFZUTVNOSHE-SFHVURJKSA-N 324.424 3.114 0 40 DGAB Cc1ocnc1C(=O)N1CC[C@@H](Cc2ccnc3ccccc23)C1 257261836 LIYTXGYKBZOMAI-AWEZNQCLSA-N 321.380 3.236 0 40 DGAB Cc1nccc([C@H]2CCCN2C(=O)c2cc(F)ccc2F)n1 257227524 FPTMDOJKSJXKFH-OAHLLOKOSA-N 303.312 3.041 0 40 DGAB COc1cccc(F)c1CN1CCC[C@@H](c2nc(C)cn2C)C1 257332443 XXIZYSVQBVJKLD-CQSZACIVSA-N 317.408 3.256 0 40 DGAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)[C@H]1CC=CCC1 252571008 XOAAGOZYMSLVTM-JYJNAYRXSA-N 300.402 3.244 0 40 DGAB CO[C@H](CNC(=O)Nc1ccc(F)cc1)c1cccc(F)c1 96388836 BYTRGJNCOHETAI-OAHLLOKOSA-N 306.312 3.474 0 40 DGAB Cn1ccc([C@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 390829533 FDCQMFQYQKOUAE-ZDUSSCGKSA-N 303.793 3.093 0 40 DGAB O=C(CCC(F)(F)F)N(c1ccc(F)cn1)C1CCOCC1 74950767 NQROLROTNJGFDQ-UHFFFAOYSA-N 320.286 3.075 0 40 DGAB Cc1ccc(C(C)C)cc1S(=O)(=O)n1nnc2ccccc21 714121 XOVXGUQRXJMICO-UHFFFAOYSA-N 315.398 3.100 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)COc1ccccc1F 5510937 HWCCUOHUJRTCDZ-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCc2nc(N3CCCCC3)ncc21 12219831 QEAHBAGBQYXTKZ-AWEZNQCLSA-N 316.449 3.007 0 40 DGAB Cc1cc(C)cc(C[C@H](CC(=O)O)C(=O)NC2CCCCC2)c1 12445702 RCOYPDWUFLTDPM-MRXNPFEDSA-N 317.429 3.386 0 40 DGAB Cc1ccccc1CS(=O)(=O)N1c2ccccc2C[C@@H]1C 13671640 CTAMZIIVWOVDNH-AWEZNQCLSA-N 301.411 3.276 0 40 DGAB CC1(C)Cc2nc(-c3ccncc3)ncc2[C@@H](NC(=O)C2CC2)C1 12221136 GRDNDKZCDASYQJ-INIZCTEOSA-N 322.412 3.078 0 40 DGAB COc1ccc(N)cc1NC(=O)C12CC3CC(CC(C3)C1)C2 22149706 PKFPGTXTOMHUTD-UHFFFAOYSA-N 300.402 3.432 0 40 DGAB Cc1cccc(C)c1OCCn1nnc(-c2ccc(F)cc2)n1 6508820 WYLLDBPMULOYQF-UHFFFAOYSA-N 312.348 3.175 0 40 DGAB Cc1ccc2[nH]c(SCC(=O)Nc3ccc(O)cc3)nc2c1 6813343 PFLMUYXUACKXKZ-UHFFFAOYSA-N 313.382 3.308 0 40 DGAB Cc1cccc(C)c1NC(=O)c1cc(C2CCOCC2)ncn1 1888850269 GTRIGDCLFLHQIG-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB c1ncc(CN2CCC[C@@H](Cc3cnc4[nH]ccc4c3)CC2)[nH]1 2037838586 PLPZZRNFBFNRQO-CQSZACIVSA-N 309.417 3.131 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)c1ccco1 4305158 PZXVYVYDOSDUKT-INIZCTEOSA-N 322.364 3.406 0 40 DGAB CCC(C)(C)C(=O)N1CCC[C@H](COc2ccnc(C)c2)C1 1775972313 XECHEQPKLBLCRQ-HNNXBMFYSA-N 304.434 3.444 0 40 DGAB O=C(NCc1ccc(C2CC2)nc1)c1cc(-c2ccccc2)[nH]n1 585150404 SZSNOMRLVFMLNX-UHFFFAOYSA-N 318.380 3.279 0 40 DGAB COc1ccccc1N1CCN(c2ccc(Cl)cn2)CC1 90345066 OVOFHFYBKNSMBJ-UHFFFAOYSA-N 303.793 3.070 0 40 DGAB CC(C)c1ccc(CN2CCN(C(=O)c3ccncc3)CC2)cc1 40162193 ACZHCCFNXYQIDS-UHFFFAOYSA-N 323.440 3.163 0 40 DGAB Cc1ccn2cc(C(=O)Nc3ccc(-c4cc[nH]n4)cc3)nc2c1 31561918 BJTBPLRYWBQORB-UHFFFAOYSA-N 317.352 3.285 0 40 DGAB c1cnc(-c2nc(CN3CCc4ccccc4C3)cs2)nc1 51114200 ZNDPQRDXSWDBER-UHFFFAOYSA-N 308.410 3.158 0 40 DGAB CN(C)c1ncccc1CNC(=O)c1csc2c1CCCC2 32686050 GPUNKNDEGLRFGF-UHFFFAOYSA-N 315.442 3.018 0 40 DGAB COc1ccc(OC)c(/C=C2/N=C(c3ccc(C)cc3)OC2=O)c1 340160 MNYMOMPFJRTKDZ-LFIBNONCSA-N 323.348 3.357 0 40 DGAB COc1ccc(Oc2ccc(CNc3ncccn3)cn2)cc1 52310225 DQUYNXDPPAFDDM-UHFFFAOYSA-N 308.341 3.285 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)Cc1ccc(C(C)=O)cc1 32915787 MFUPQRNVJWQJHR-ZDUSSCGKSA-N 311.381 3.318 0 40 DGAB CC(C)(C)c1cccc(OCCCN2CCC[C@H]2C(=O)O)c1 41533671 DFWCOILVJBTRQJ-INIZCTEOSA-N 305.418 3.302 0 40 DGAB CCSc1nc(N)c2c3c(sc2n1)CO[C@H](C(C)C)C3 550275 FRZDUHAOJDQXLK-VIFPVBQESA-N 309.460 3.483 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccccc2)C1)N1CCCCCC1 212154 PQPLMGHJWCVCQL-GOSISDBHSA-N 300.446 3.301 0 40 DGAB CCOc1ccc(/C=C2/N=C(c3ccccc3)OC2=O)cc1OC 301775 USRQEGNVOGWAPK-RVDMUPIBSA-N 323.348 3.438 0 40 DGAB Cc1nc(Sc2ccc([N+](=O)[O-])cc2C=O)nc2c1CCC2 582118 HVWYYTYOSYISRT-UHFFFAOYSA-N 315.354 3.146 0 40 DGAB CCc1nnc(NC(=O)c2c(-c3ccccc3)noc2C)s1 811575 OQTVBJCGVGXHFN-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB Cc1nc(Cl)cc(CS(=O)(=O)c2ccc(Cl)cc2)n1 1388901 OOHYXGIPUTUYDG-UHFFFAOYSA-N 317.197 3.066 0 40 DGAB CCCNC(=O)c1cnc(-c2cccnc2)nc1-c1ccccc1 3051228 BBTSVSYCOSGSNH-UHFFFAOYSA-N 318.380 3.345 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccccc2F)c(C)o1 3464217 IVHDSQAQLGKQFC-NSHDSACASA-N 305.305 3.220 0 40 DGAB CN(CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)cc1 3541960 NYBNWJINFNXFJK-UHFFFAOYSA-N 308.303 3.174 0 40 DGAB CC(C)C(=O)c1cc2cc3c4c(c2oc1=O)CCCN4CCC3 3999362 PBMDOHQXJXBXLM-UHFFFAOYSA-N 311.381 3.331 0 40 DGAB biogenic COC(=O)[C@H](CC(C)C)NC(=O)c1cc2cc(Cl)ccc2[nH]1 4682598 JAYDHOADOWXQCI-AWEZNQCLSA-N 322.792 3.139 0 40 DGAB C[C@@H](OC(=O)c1ccccc1F)C(=O)Nc1ccc(F)cc1 5118022 ATIAVQMGXWMCOT-SNVBAGLBSA-N 305.280 3.149 0 40 DGAB C[C@@H](OC(=O)c1cc2c(s1)CCCCCC2)C(=O)NC1CC1 5302539 MMQAWVCVARGCGS-LLVKDONJSA-N 321.442 3.231 0 40 DGAB CC(C)(C)NC(=O)COc1ccc(C2SCCS2)cc1 5584161 UAVRAIOWRNIDIX-UHFFFAOYSA-N 311.472 3.459 0 40 DGAB CCc1c(C)sc2[nH]c(=S)n(C[C@H]3CCCO3)c(=O)c12 6006219 KXKJAERVMXBKKD-SECBINFHSA-N 310.444 3.170 0 40 DGAB CC[C@@H](C)OC(=O)CNCCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 6080733 HRPHOCGNCCHABP-BASYENTBSA-N 311.466 3.149 0 40 DGAB Cc1cnc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)s1 6756175 OLYKLPOWTWWDNJ-UHFFFAOYSA-N 313.382 3.166 0 40 DGAB Cc1ccc2oc(=O)c(-c3nc(-c4ccncc4)no3)cc2c1 6867993 IZAINPPSTVTZRS-UHFFFAOYSA-N 305.293 3.213 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCCCCC3)[nH]n2)cc1 6942449 GUEMWAFTJGDRAO-UHFFFAOYSA-N 313.401 3.492 0 40 DGAB COc1ccc(CCC(=O)NC2CCCCCC2)cc1OC 6943446 WNWQBQBCBMNAML-UHFFFAOYSA-N 305.418 3.475 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1cc(F)cc(F)c1 7032369 YRGPAULFTJLXPB-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCOc1ccccc1CCC(=O)NCc1ccc(OC)cc1 7132513 ZBJWDKKCFDILBM-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB CC(=O)c1cccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 8367568 BBQFPPUXMODBSG-UHFFFAOYSA-N 322.408 3.460 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)c1cc(F)cc(F)c1 10737123 FSTKRCNQRZZZQC-UHFFFAOYSA-N 315.323 3.053 0 40 DGAB COc1ccc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cn2n1 11693467 NRZOEWOMDGSQGP-UHFFFAOYSA-N 324.384 3.390 0 40 DGAB CC(=O)Nc1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1 12536023 SVOYLGBGEQOVLQ-UHFFFAOYSA-N 324.789 3.099 0 40 DGAB CC(C)Cc1ccc([C@H](C)NC(=O)CSCCC(=O)O)cc1 12743425 KIXLMDYXJPPNFR-ZDUSSCGKSA-N 323.458 3.270 0 40 DGAB CCOc1ccc(NC(=O)CN2CCCC[C@@H]2C)cc1OCC 14135389 JBXFJRXYPRIXRN-AWEZNQCLSA-N 320.433 3.297 0 40 DGAB CN(Cc1ccccc1Cl)CN1C(=O)c2ccccc2C1=O 14245574 PKWDYNRQMMLUJB-UHFFFAOYSA-N 314.772 3.026 0 40 DGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccccn2)c1 15827450 QSNRUOYGYIPMAE-MRXNPFEDSA-N 312.369 3.076 0 40 DGAB Cc1cc(NC(=O)c2cc3ccccc3o2)cc(C(=O)O)c1O 20139658 JIZQEUDSRRJJEH-UHFFFAOYSA-N 311.293 3.397 0 40 DGAB O=C(/C=C/c1cccs1)OC[C@H]1COc2ccccc2O1 21174355 RXDFTQLPOOVDOB-ABZNLYFFSA-N 302.351 3.145 0 40 DGAB CCN1CCc2nc(NC(=O)CCc3ccsc3)sc2C1 21295526 JOZRVRZZXKLMGG-UHFFFAOYSA-N 321.471 3.154 0 40 DGAB COCCCNC(=O)[C@@H](C)Sc1cc(C)c2ccccc2n1 23410041 ZWWKNFLAWZCSQG-CYBMUJFWSA-N 318.442 3.177 0 40 DGAB O=C(Nc1ccccc1)c1cccc(NC(=O)[C@H]2CCCO2)c1 24247896 WQYNQKQGPYUAIF-MRXNPFEDSA-N 310.353 3.056 0 40 DGAB Cc1ccc(F)cc1NCc1cc(=O)n2cc(Cl)ccc2n1 25601167 RVADEVNZCDAJSH-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCc1ccco1 27977196 UZNZPLRNFGUZNY-UHFFFAOYSA-N 323.396 3.331 0 40 DGAB CCCCOP(=O)(OCCCC)N1CCC[C@@H]1C(=O)O 31829946 AZOUZRQKKVKOFZ-GFCCVEGCSA-N 307.327 3.277 0 40 DGAB Cc1nnsc1C(=O)N(Cc1cccc2[nH]ccc12)C1CC1 32094631 CRRHQESDJDYEDZ-UHFFFAOYSA-N 312.398 3.133 0 40 DGAB O=C(Nc1cnc(-c2ccccc2)nc1)[C@@H]1Cc2ccccc2O1 32844999 TYABCBNZAUHRDT-KRWDZBQOSA-N 317.348 3.086 0 40 DGAB CCN(Cc1cccc(C)c1)Cc1nc(-c2cccnc2)no1 32928719 RZBZDKAUGKEZRT-UHFFFAOYSA-N 308.385 3.462 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@@H]2C1 35270226 YESBJFJJWMHILD-JKSUJKDBSA-N 302.418 3.128 0 40 DGAB in-vitro CC(=O)N(CCn1nc(C)cc1C)c1nc2ccccc2s1 35597602 AFQPRSRXICHHBN-UHFFFAOYSA-N 314.414 3.163 0 40 DGAB C[C@@H](CNC(=O)CCc1cccs1)N(C)c1ccccc1 40108013 AXUJGMYRDUKMEQ-AWEZNQCLSA-N 302.443 3.322 0 40 DGAB CC(C)Oc1ccc(/C=C2/C(=O)NC(=O)c3ccccc32)cc1 40139817 VQNAJAJIULMMKA-GZTJUZNOSA-N 307.349 3.284 0 40 DGAB CC(C)C(=O)Nc1cc(Cl)c(NC(N)=S)cc1Cl 45891484 UYEXXBNKFAIYRA-UHFFFAOYSA-N 306.218 3.243 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)[C@@H]3CC=CCC3)c2)n1 47317674 YYGOCRXPNXFXDI-CYBMUJFWSA-N 309.369 3.040 0 40 DGAB CCC[C@@H](NC(=O)[C@H](C)NC(=O)c1ccoc1)c1ccccc1 48229261 PCXWYGJZBDTRNY-XJKSGUPXSA-N 314.385 3.056 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1ccc(Cl)cc1Cl 48411462 FSPVNEVWLYAUFX-NSHDSACASA-N 301.217 3.208 0 40 DGAB CCOCCCC(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 56097353 DQHXELHWGFTENN-UHFFFAOYSA-N 324.384 3.152 0 40 DGAB COc1ccccc1NC(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 58313812 PPZFGQFWVMCFTI-KSSFIOAISA-N 319.449 3.327 0 40 DGAB COCCOc1ccccc1C(=O)N[C@H](C)c1ccc(C)o1 58379275 WGXTWRFNBYCSLV-CYBMUJFWSA-N 303.358 3.104 0 40 DGAB CN(C)c1ccc(NC(=O)c2ccc(-n3cccc3)cc2)nc1 58407132 YAHPLBLSTKDRMR-UHFFFAOYSA-N 306.369 3.191 0 40 DGAB Cn1cc([C@H]2C[C@H]2C(=O)Nc2cc(C(C)(C)C)ccc2O)cn1 68281746 BKYUHIDLEGMDHN-ZIAGYGMSSA-N 313.401 3.165 0 40 DGAB O=C(NCCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CC=CCC1 69587778 ODCZNOKLXVDKMH-CYBMUJFWSA-N 314.360 3.496 0 40 DGAB Cc1cccc(C2(C(=O)N(C)C3CCN(C)CC3)CCCC2)c1 69979091 YTAXKZKBAHYPTR-UHFFFAOYSA-N 314.473 3.359 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1cccc(F)c1 71859103 VOGNTIAYRMQYOE-DMZKTXOQSA-N 319.401 3.126 0 40 DGAB COc1ccc(NC(=O)Nc2cccc([S@@](C)=O)c2)cc1 72287662 MDKJJZRPODBWPV-NRFANRHFSA-N 304.371 3.077 0 40 DGAB CN(C(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CCC1 73829655 QUQVNSFKVSIWKU-UHFFFAOYSA-N 320.408 3.068 0 40 DGAB c1coc(-c2nnc(CSc3nnc(C4CC4)s3)o2)c1 74794768 VCUNQFPIICCVFX-UHFFFAOYSA-N 306.372 3.351 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)c(F)c1 74932691 KPGORMYIHJMQDO-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCCC[C@@H]2c2ccccc2)c(=O)[nH]1 75123034 QGBCXGOXICYALC-WBVHZDCISA-N 310.397 3.140 0 40 DGAB CCn1nc(C)c(C(=O)OCCCc2cccc(C)n2)c1Cl 76040663 ZMCAAZPVWGUBQE-UHFFFAOYSA-N 321.808 3.358 0 40 DGAB CCN(C)[C@@H](C(=O)Nc1cc(C(C)C)n[nH]1)c1ccccc1 78402323 FBMHYPYPYQVWGJ-MRXNPFEDSA-N 300.406 3.165 0 40 DGAB COCCn1c(SCC(C)(C)O)nc2cc(Cl)ccc21 78489794 IOQJKUHDMLOMJJ-UHFFFAOYSA-N 314.838 3.199 0 40 DGAB Cc1nc(C)c(NC(=O)c2ccc(OCC(C)C)nc2)s1 79048892 NKOUPENJIWLPEP-UHFFFAOYSA-N 305.403 3.442 0 40 DGAB O=C(c1ccc(Cl)o1)N1CCC[C@@H]1c1noc(C2CC2)n1 84436726 UFEGVKDHIKOYFQ-SECBINFHSA-N 307.737 3.171 0 40 DGAB CCn1ccc2ccc(NC(=O)NCCc3ccncc3)cc21 89309968 OVBQLYXKVQTMFU-UHFFFAOYSA-N 308.385 3.420 0 40 DGAB C[C@H](NCc1ccc(-n2ccnc2)nc1)c1cc(F)cc(F)c1 89904552 YCIXVHLABYEJIP-LBPRGKRZSA-N 314.339 3.396 0 40 DGAB CC(=O)Nc1ccc(OCCN2CCCc3ccccc32)cc1 89980300 YVCHIBRIKDIHOU-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB c1ccc(N2CCC(NCCc3cc4ccccc4[nH]3)CC2)nc1 90577450 CPCREMHGZSHMMW-UHFFFAOYSA-N 320.440 3.364 0 40 DGAB Cc1sc2nc(CCC(=O)O)nn2c1-c1ccc(Cl)cc1 95095806 VEULLOTXCBENMA-UHFFFAOYSA-N 321.789 3.437 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)CCc3ccccn3)c2)cn1 95407007 SSOISNKKDCNQTL-UHFFFAOYSA-N 321.384 3.130 0 40 DGAB CCc1n[nH]c(-c2ccccc2NC(=O)c2cc(Cl)c[nH]2)n1 95440639 ZUIODDXEKYYALX-UHFFFAOYSA-N 315.764 3.268 0 40 DGAB Cc1ocnc1C(=O)Nc1ccc(C(=O)OC(C)(C)C)cc1F 95449865 SPFURFORBRFRLD-UHFFFAOYSA-N 320.320 3.330 0 40 DGAB O=C(CC1(n2cccc2)CCCCC1)NCCc1ccco1 95472162 RCVWNWTYYZMDFG-UHFFFAOYSA-N 300.402 3.490 0 40 DGAB CCS[C@H](C(=O)N(C)Cc1cc(C(=O)O)c(C)o1)C(C)C 95970417 BLHWGMQMYAWFPC-ZDUSSCGKSA-N 313.419 3.022 0 40 DGAB Cc1cccc2c1[C@@H](C)C[C@@H]2NCCc1nnc2ccccn12 95982148 UGUQAWRNSVXFFL-HOCLYGCPSA-N 306.413 3.418 0 40 DGAB C[C@H](NCC(=O)NC1CCCC1)c1ccc(-c2cccnc2)cc1 95985861 KBCWOZASMDBHQZ-HNNXBMFYSA-N 323.440 3.458 0 40 DGAB CCOC[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 96106416 JNUSNTMFSDEBCM-QGZVFWFLSA-N 321.436 3.481 0 40 DGAB CO[C@H]1CCN(Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 96110473 XXXCGENUPPUXQP-HKUYNNGSSA-N 314.429 3.371 0 40 DGAB Cc1ccc(C(=O)N2CCOC[C@H]2c2csc(C)n2)s1 96218363 KSECCPZMUBLUOH-LBPRGKRZSA-N 308.428 3.035 0 40 DGAB Cc1ccc(NCc2ccccc2OC(F)F)cc1C(N)=O 96482866 UYKLYWPUEPFLQU-UHFFFAOYSA-N 306.312 3.307 0 40 DGAB Cc1ccc2nc([C@H]3CCCN(CCC(C)(C)O)C3)[nH]c2c1 96490614 FEYJARDXNYFQEQ-AWEZNQCLSA-N 301.434 3.212 0 40 DGAB Cc1ccc(CN[C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)nc1 97103492 BYQKRHHPTIUBMB-LSDHHAIUSA-N 319.449 3.316 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N[C@@H](C)c2ccc(Cl)s2)on1 97111480 GJWARTSQRLJHDZ-IUCAKERBSA-N 313.810 3.376 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(Cl)c3)C2=O)cc1 101275149 HJAYICLMTBKFAR-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB CCCCn1cnc2c(c(C)c(C)n2Cc2ccncc2)c1=N 101483503 OYUFBCMLQNWGJI-UHFFFAOYSA-N 309.417 3.178 0 40 DGAB CSc1ccc(NC(=O)N2CCOC3(CCC3)C2)cc1F 104333030 RTIXBMIQGCICCL-UHFFFAOYSA-N 310.394 3.334 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CC[C@@H](C)C[C@H]1c1ccco1 107064823 FKBXYMHLIDFOPB-RISCZKNCSA-N 316.405 3.031 0 40 DGAB Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)[nH]1 222816243 MGKPFBPHZMVSNC-HOTGVXAUSA-N 314.458 3.407 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H]1CCCO1 224232440 SNCTZJUEWDEXKJ-MSOLQXFVSA-N 317.429 3.018 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NCC(C)C 225675696 LBZPAQKKGPEHDQ-ZDUSSCGKSA-N 324.852 3.239 0 40 DGAB COc1ccc([C@@H]2CC(c3cccc(C)c3)=NN2C(C)=O)cc1O 226784132 WSXABBONPZZWBK-KRWDZBQOSA-N 324.380 3.407 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 253370491 RMBYJXADCZLHKX-ZNMIVQPWSA-N 322.478 3.321 0 40 DGAB C[C@@H]1Cc2ccccc2[C@@H]1NC(=O)CCc1ccccc1C(=O)O 539681952 HNIBCOTUVFSQMM-BFUOFWGJSA-N 323.392 3.367 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2cccs2)n2cccn2)c(C)o1 575605192 OAXWXBIFOIZUMD-AWEZNQCLSA-N 315.398 3.174 0 40 DGAB O=S(=O)(NCc1ccc(-c2ccco2)o1)c1ccccc1 575609167 QGBPPNPBIHSALW-UHFFFAOYSA-N 303.339 3.018 0 40 DGAB CCOCC(=O)NCc1csc(Cc2ccc(Cl)cc2)n1 585128274 XPVTXLUZEOLPHN-UHFFFAOYSA-N 324.833 3.040 0 40 DGAB Cc1nc(NC(=O)N[C@H](CCCO)c2ccccc2)cs1 585139673 ZEZQEWDWBVXIAU-CYBMUJFWSA-N 305.403 3.087 0 40 DGAB Cc1nc(NC(=O)N[C@@H](CCCO)c2ccccc2)cs1 585139674 ZEZQEWDWBVXIAU-ZDUSSCGKSA-N 305.403 3.087 0 40 DGAB CCOc1ccc(CN2CCCC[C@@H]2c2cc[nH]n2)cc1CO 585182041 WMGSESGRPCMYAJ-QGZVFWFLSA-N 315.417 3.028 0 40 DGAB Cc1nc(N[C@@H](C(=O)O)C(C)C)c2c3c(sc2n1)CCCC3 237035 FTDMZGKXDCQUOP-CYBMUJFWSA-N 319.430 3.400 0 40 DGAB O=C(Cc1ccccc1)Oc1ccc2c3c(c(=O)oc2c1)CCC3 328313 HZWSTCDVCDVTKE-UHFFFAOYSA-N 320.344 3.430 0 40 DGAB COc1ccc(NC(=O)c2cccnc2)cc1Br 570535 UUCDLPUKSDTNQE-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB CCC(=O)Nc1cc2c(cc1C(=O)c1ccccc1)OCCO2 781959 HRVNVEPYSLLCIV-UHFFFAOYSA-N 311.337 3.037 0 40 DGAB C[C@H]1Oc2ccccc2N(CC(=O)c2ccc(Cl)cc2)C1=O 1328488 MGOJYHJADZOVSD-LLVKDONJSA-N 315.756 3.337 0 40 DGAB COc1cccc(CC(=O)c2cccc(OC)c2OC)c1OC 1634069 XGKZEXGPPSWHCY-UHFFFAOYSA-N 316.353 3.146 0 40 DGAB COC(=O)C[C@@H](c1ccccc1)S(=O)(=O)c1ccc(C)cc1 1715495 JIRPRDQFJDGPNN-INIZCTEOSA-N 318.394 3.073 0 40 DGAB NCCCN1c2ccccc2[S@@](=O)c2ccc(Cl)cc21 1841352 YGJLHHBXRHEYRU-FQEVSTJZSA-N 306.818 3.307 0 40 DGAB in-vitro Fc1ccccc1O[C@@H]1OCCO[C@H]1Oc1ccccc1F 3212592 FWTVEIMDHYXUST-HOTGVXAUSA-N 308.280 3.122 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1 3560820 HRGXYRYLMNKFHS-UHFFFAOYSA-N 318.398 3.452 0 40 DGAB O=C(c1ccco1)N1CCN=C1SCc1cccc(F)c1 4119911 WOPRJCGEUORFAE-UHFFFAOYSA-N 304.346 3.164 0 40 DGAB CC(C)NC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4384091 RXBXXUMZQZVXJT-UHFFFAOYSA-N 315.417 3.491 0 40 DGAB Cc1cc(C)cc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c1 4385194 BGMWKNVJUUPEPN-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB O=C1C[C@@H](NC2CCCCCCC2)C(=O)N1c1ccccc1 4954092 HHXVUBYMSSNJMC-MRXNPFEDSA-N 300.402 3.021 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2ccc(F)cc2)cc1Cl 5251457 OEYYXMBMHCPPHW-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB C[C@H](NC(=O)CSc1nccn1C)c1cccc(Cl)c1 5359901 OLRJRKYEJGZVGU-JTQLQIEISA-N 309.822 3.043 0 40 DGAB Nc1ccc2nc(SCC(=O)Nc3nccs3)sc2c1 5589315 WJDKXQUEGATJLV-UHFFFAOYSA-N 322.440 3.066 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)NC2CCCCCC2)cc1 6579348 FCYUKWJJLXMICA-JLHYYAGUSA-N 301.386 3.325 0 40 DGAB CCCCn1nnnc1NCc1c(Cl)cccc1Cl 7262102 ZVRKGSHPEOZDSV-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB O=C(CN1CCC[C@H]1c1cccs1)NCc1ccc(F)cc1 8320628 AVVKEGNGNISMCE-HNNXBMFYSA-N 318.417 3.341 0 40 DGAB CCN(CC)C(=O)C[C@H](C)CC(=O)NCCC1=CCCCC1 9851339 DBTOWXACFLRCAY-OAHLLOKOSA-N 308.466 3.278 0 40 DGAB Cc1nnc(SCC(=O)c2ccc[nH]2)n1C1CCCCC1 9911332 YNAAKBKGUASOGU-UHFFFAOYSA-N 304.419 3.395 0 40 DGAB C[C@@H](OC(=O)c1ccc(O)cc1O)C(=O)c1ccc(Cl)cc1 11565717 WVPXQMAFJFWOGI-SECBINFHSA-N 320.728 3.179 0 40 DGAB CCOc1ccccc1C(=O)NCCCn1cnc2ccccc21 12490331 MGIOOUSCPIPRQF-UHFFFAOYSA-N 323.396 3.255 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(N3CCCC3)nc2)cc1F 12948138 GFAALPGWPHUHHC-UHFFFAOYSA-N 313.376 3.059 0 40 DGAB COC(=O)c1sccc1NC(=S)Nc1ccc(OC)cc1 13496837 WRNAZIURTAIUPL-UHFFFAOYSA-N 322.411 3.352 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 14022386 DECWIPCZQYRJES-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB O=c1cc(CNc2ccc(Cl)cc2F)nc2sccn12 14118006 JDPGMWRPHNYQLL-UHFFFAOYSA-N 309.753 3.161 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1OC 15331035 JINQAPAJPATLSC-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)COc1ccc(F)cc1 15471470 QPIBLZFHITZVLZ-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB CC1CCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)CC1 17355646 DUAYGDFOPBQXQT-UHFFFAOYSA-N 301.415 3.407 0 40 DGAB CN1/C(=C/C(=O)C(=O)c2cccnc2)C(C)(C)c2ccccc21 18058828 PDQRJWKMNFRTRJ-GZTJUZNOSA-N 306.365 3.145 0 40 DGAB CC(C)CNS(=O)(=O)c1ccc(Oc2ccccc2)cc1 22510352 MIWQIWZFIGYZSI-UHFFFAOYSA-N 305.399 3.413 0 40 DGAB CCc1n[nH]c(SCc2cc(-c3ccc(OC)cc3)no2)n1 22988931 FIEMLVUPBNNRAO-UHFFFAOYSA-N 316.386 3.323 0 40 DGAB CCNC(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 23028453 DODKSLJQQBFJFA-UHFFFAOYSA-N 308.790 3.404 0 40 DGAB Cc1cc(C)c(NCC(=O)NCc2ccccc2F)c(C)c1 23627147 JLLKKALXJADDKO-UHFFFAOYSA-N 300.377 3.479 0 40 DGAB O=C1NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@H](c3ccccc3)[C@@H]12 26955389 URKRCAKITCRYFK-XMTFNYHQSA-N 303.361 3.013 0 40 DGAB O=C(CNc1cccc(C(F)(F)F)c1)NCc1cccs1 30286384 KRLKKJRUTXXROE-UHFFFAOYSA-N 314.332 3.495 0 40 DGAB O=C1CCCN1CCc1nc(-c2cc(F)ccc2F)cs1 30447687 XQUUVXIEVZPYAK-UHFFFAOYSA-N 308.353 3.253 0 40 DGAB Cc1noc2ncc(C(=O)N3CCc4sccc4[C@@H]3C)cc12 30936842 DRSGDHSAZZVBBN-JTQLQIEISA-N 313.382 3.352 0 40 DGAB O=C(Nc1cccnc1-n1cccn1)c1ccc2ncsc2c1 31533185 YGCXPNWYAOHIFV-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB COC(=O)c1ccc(COC(=O)c2ccc(C(C)=O)s2)cc1 32776559 LPKWRMSAJOTNDV-UHFFFAOYSA-N 318.350 3.094 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CC1)[C@@H]1CC(c2ccccc2)=NO1 33163417 JYXNYIXCGNLCSD-RBUKOAKNSA-N 320.392 3.447 0 40 DGAB CCc1ccc(/C=C/C(=O)N[C@H](Cc2ccccc2)C(=O)O)cc1 34193157 XZJKTKUTSQZQKB-QFQMRYFISA-N 323.392 3.074 0 40 DGAB Nc1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 36153755 XZJHHLGGJVOGTM-UHFFFAOYSA-N 307.382 3.026 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccccc3OC)C2=O)cc1 36635574 UMGGSJGBJXLEPW-MRXNPFEDSA-N 324.380 3.002 0 40 DGAB CSc1cccc2sc(NC(=O)c3cnccn3)nc12 36704898 CPCPYQIPTWXBJZ-UHFFFAOYSA-N 302.384 3.061 0 40 DGAB NC(=O)[C@H](NCCCSc1ccc(F)cc1)c1ccccc1 40032385 ISHNLNCFWOQGNW-MRXNPFEDSA-N 318.417 3.124 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 40994639 YAAJHDLMAFHIJB-UHFFFAOYSA-N 324.424 3.403 0 40 DGAB CCc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1 44817734 UXOLWRCRTSDJQV-UHFFFAOYSA-N 312.388 3.351 0 40 DGAB COCCCNC(=O)c1ccccc1SCc1ccco1 44890037 FGHBOFFRDIGZRB-UHFFFAOYSA-N 305.399 3.338 0 40 DGAB Cc1cccc(CNC(=O)NCCCCN2CCC(C)CC2)c1 45701200 WXOSCIFZLZNPKA-UHFFFAOYSA-N 317.477 3.306 0 40 DGAB CC[C@@H](NC(=O)NCc1csc(C)n1)c1ccc(OC)cc1 48236843 ADDKTBSTGHMJBC-OAHLLOKOSA-N 319.430 3.411 0 40 DGAB Cc1sc(CCN2CCOC2=O)nc1-c1ccc(F)cc1 48374015 MLLPYLZAXJUMKW-UHFFFAOYSA-N 306.362 3.252 0 40 DGAB CCc1nnsc1C(=O)NCCOc1ccc(C(C)C)cc1 48496684 OTAOFPGYEIDYHM-UHFFFAOYSA-N 319.430 3.033 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)N2CCc3sccc3C2)c1 53212276 ZRGHIMYPZFJGRS-UHFFFAOYSA-N 318.373 3.044 0 40 DGAB CC(C)c1ccc(-c2noc(CCC(=O)N3CCCC3)n2)cc1 55275271 JBNNVXWEMDPNHH-UHFFFAOYSA-N 313.401 3.415 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)SCc1cc(C)on1 56232466 BPITXYKODWBYCX-NSHDSACASA-N 306.387 3.252 0 40 DGAB C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCc2ccccc2C1 56761270 MPJXEGWGDCIGJM-CQSZACIVSA-N 310.397 3.091 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)c3ccsc3)cn2)C[C@@H](C)O1 65535440 UEUUYNVRFOOQGO-TXEJJXNPSA-N 317.414 3.009 0 40 DGAB C[C@@H](O)CN(Cc1nnc(-c2ccccc2)o1)c1ccccc1 65591411 XTQIVNFBOOBASO-CQSZACIVSA-N 309.369 3.124 0 40 DGAB CC(C)C(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 65625595 FPCZEERIIPDADB-ROUUACIJSA-N 300.446 3.298 0 40 DGAB CCOc1cccc(C(=O)Nc2cc(-c3ccncc3)n[nH]2)c1 69414605 AMZRSPHFFNXDLQ-UHFFFAOYSA-N 308.341 3.123 0 40 DGAB Cc1cnccc1NC(=O)c1cccc(NC(=O)NC(C)C)c1 69589075 OAQWMQVKADPOAM-UHFFFAOYSA-N 312.373 3.172 0 40 DGAB Cc1cnn(C[C@H](C)N[C@@H](C)c2nnc(-c3cccs3)o2)c1 69739184 WBUZNKKDCGOFDB-RYUDHWBXSA-N 317.418 3.042 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)c1 71185774 MRAIFQHOUVTUER-SJLPKXTDSA-N 309.413 3.085 0 40 DGAB CC1(C)[C@H](C(=O)O)[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 71288156 UHLOOCBRNCBVDR-UWVGGRQHSA-N 322.411 3.167 0 40 DGAB NNc1nc2ccc(NC(=O)c3cccc(Cl)c3)cc2s1 72229742 MVXQUUSITHNKSK-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@@H]3CC=CCC3)C2)no1 72232211 ZOLJSIWIHCKVGS-ZIAGYGMSSA-N 303.406 3.255 0 40 DGAB CCc1nc([C@@H]2CCCN(c3ncnc4sccc34)C2)no1 72279239 BJYYBSCZXKUGDK-SNVBAGLBSA-N 315.402 3.021 0 40 DGAB c1ccc(Cc2cncc([C@@H]3CCCN3C3CCOCC3)n2)cc1 72355702 YNQWYEFFDZOLES-FQEVSTJZSA-N 323.440 3.383 0 40 DGAB Cc1nc(C(=O)N=c2[nH]c3ccccc3[nH]2)c(C(C)C)s1 72402553 HHGFLNDUJARFRF-UHFFFAOYSA-N 300.387 3.125 0 40 DGAB Cc1nc(C)c(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)o1 73846513 KHIIHROKUKSCSN-AWEZNQCLSA-N 302.349 3.135 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1ccc(F)c(C)c1 74928112 ATHPQEWBRIGXBB-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(c1ccccc1)N1CCC[C@@H](NCc2ccsc2)C1 78553586 UQYJMTHRJCCCHW-MRXNPFEDSA-N 300.427 3.143 0 40 DGAB O=S(=O)(Nc1cccnc1)c1ccc(F)cc1C(F)(F)F 78556706 RVJACLMOSRCKSJ-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB C[C@H]1CN(Cc2ccc(CNC3CCCC3)cc2)C[C@H](C)O1 78616594 XNKGQYTYHFAYCZ-HOTGVXAUSA-N 302.462 3.328 0 40 DGAB CN(C)CCn1cc(NCc2c(Cl)cccc2Cl)cn1 83851156 YDJVEXNLZVPLHG-UHFFFAOYSA-N 313.232 3.364 0 40 DGAB Nc1nc(Cl)cc(N[C@@H]2CCCC[C@@H]2OC2CCCC2)n1 89646473 QKTCFIWBRAFGFE-NEPJUHHUSA-N 310.829 3.395 0 40 DGAB C[C@@H](CC(=O)c1ccccc1)NC(=O)[C@H]1CCOc2ccccc21 89894604 FLXBWFQPQGJAGI-YOEHRIQHSA-N 323.392 3.330 0 40 DGAB CCOc1c(C)cc(-c2noc([C@H]3CCCNC3)n2)cc1C 95095380 BCCGLVJDNGCDST-ZDUSSCGKSA-N 301.390 3.219 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CSc1ncc(C(C)(C)C)o1 95416480 GAOOSIDZOQLYHF-UHFFFAOYSA-N 308.407 3.043 0 40 DGAB O=C(Cc1cccnc1)Nc1ccc2[nH]c(C(F)F)nc2c1 95443753 XSYVFDZAUTUWSW-UHFFFAOYSA-N 302.284 3.077 0 40 DGAB COC(=O)c1ccc(N2CCC[C@H]2c2cccc(C)n2)nc1C 95453315 SJOYXAMITSWTIU-INIZCTEOSA-N 311.385 3.222 0 40 DGAB Cc1cc2ccccc2c(N2CCC(C(=O)NC3CC3)CC2)n1 95465995 XEHSCWKFACVCQN-UHFFFAOYSA-N 309.413 3.038 0 40 DGAB Cn1nc(NC(=O)Nc2ccc(Cl)cc2)c2cccnc21 96194562 YDASNEVWAXGXSP-UHFFFAOYSA-N 301.737 3.266 0 40 DGAB c1cncc(-c2ncnc3c2CCN(Cc2cccs2)CC3)c1 96255307 FJBUETHQHGCUCG-UHFFFAOYSA-N 322.437 3.201 0 40 DGAB C[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CSCc1ccncc1 96411691 IIEOBFKLIPMLLK-BMFZPTHFSA-N 304.459 3.494 0 40 DGAB CCOCCCn1ccc2ccn(Cc3ccccc3)c2c1=O 96428909 LNYYJQZGYLBXGI-UHFFFAOYSA-N 310.397 3.278 0 40 DGAB CC(=O)N1CC[C@H](C(=O)Oc2ccc(Cl)c3ccccc23)C1 96454114 UACGZWAHLJWADR-LBPRGKRZSA-N 317.772 3.267 0 40 DGAB Cn1nccc1CNC(=O)N1C[C@H]2CCCC[C@]21c1ccccc1 96491750 AJQVIUJSUJAAHX-APWZRJJASA-N 324.428 3.031 0 40 DGAB Cc1c([C@H](C)Nc2ccc(N(C)C)cn2)cnn1-c1ccccn1 97037996 TWXUJLAOEUAHFT-ZDUSSCGKSA-N 322.416 3.210 0 40 DGAB Cn1cnc2cc(C(=O)Nc3cc(F)c(F)cc3Cl)cnc21 97164912 AKZJSGXJIJPZSZ-UHFFFAOYSA-N 322.702 3.152 0 40 DGAB CCCn1c(C)nnc1CSc1nc(-c2ccccc2)n[nH]1 97230219 DUJFEPPCXCDCIC-UHFFFAOYSA-N 314.418 3.074 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1sc2ncccc2c1N 98063812 PSTVOXMHAPIHEX-SNVBAGLBSA-N 309.394 3.470 0 40 DGAB CC(C)n1c(=O)[nH]c2ccccc2/c1=N\C(=O)Nc1ccccc1 101113593 NARYCXJUPVIFFY-LTGZKZEYSA-N 322.368 3.043 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)c1 101275472 YFCWWUUBYPSCKT-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1 102363400 RNCRZPMBDPMOMH-IIYDPXPESA-N 303.402 3.209 0 40 DGAB O=C(c1cccc2c1CCC2)N1CCCCC[C@@H]1c1ncon1 192585997 ANLBOMWFVRQCOS-MRXNPFEDSA-N 311.385 3.316 0 40 DGAB O=C1N/C(=C/c2c[nH]c3ccccc23)C(=O)N1c1ccccc1 213723394 PKXDEWCKYLOBAK-MHWRWJLKSA-N 303.321 3.265 0 40 DGAB CC(C)NC(=S)Nc1ccc(N2C[C@@H](C)C[C@H](C)C2)nc1 223875157 AEFDCYSEBQRYDI-STQMWFEESA-N 306.479 3.259 0 40 DGAB COCc1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 224429219 XMSVJDNNJSXXTN-ZDUSSCGKSA-N 315.369 3.248 0 40 DGAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(Cc1ccccn1)C2 225487962 XVWJAKIGOAKROD-KRWDZBQOSA-N 323.396 3.121 0 40 DGAB biogenic,in-vitro C[C@H](NC1CCN([C@@H]2CCCC[C@H]2O)CC1)c1cccs1 252485885 BKAVWVJASLENQG-NUEKZKHPSA-N 308.491 3.167 0 40 DGAB CCOCC[C@@H]1CCOC12CCN(C(=O)c1occc1C)CC2 253478699 MOVHYKTXAVPCRH-OAHLLOKOSA-N 321.417 3.026 0 40 DGAB CCN(C)[C@H]1CN(C(=O)Cc2ccccc2)C2(CCCCC2)C1 257261901 LJFYRGNUJFDBPM-GOSISDBHSA-N 314.473 3.485 0 40 DGAB Cc1cnc(-c2noc(-c3cccc([C@@H]4CCCOC4)c3)n2)nc1 329737206 SYXYYVUSKHIGPQ-OAHLLOKOSA-N 322.368 3.396 0 40 DGAB COC(OC)[C@H](NC(=O)c1ccoc1C1CC1)c1ccccc1 585085767 UCWHHAJYJQDTBG-OAHLLOKOSA-N 315.369 3.247 0 40 DGAB CC1(CNC(=O)N[C@H]2CCOCC23CCCC3)CC(F)(F)C1 1521919813 XWBFEFOYYBKHQO-LBPRGKRZSA-N 316.392 3.070 0 40 DGAB Cc1cccc(NC(=O)CSCC(=O)Nc2ccccc2)c1 581490 HAXXEGSNFUJRHU-UHFFFAOYSA-N 314.410 3.305 0 40 DGAB Cc1ccc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)o1 42123034 LXSXRYVCCGHYBC-UHFFFAOYSA-N 320.414 3.050 0 40 DGAB Cc1ccc(N2C(=O)C[C@]3(C[C@@H]4C=C[C@H]3C4)C2=O)cc1Cl 4856831 GXOZXNMLJNKKHT-PEBVRCNWSA-N 301.773 3.494 0 40 DGAB CCCn1nnnc1NCc1c(OCC)ccc2ccccc12 7263295 SLSMTAREBIQDTL-UHFFFAOYSA-N 311.389 3.247 0 40 DGAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 24034710 SOMXKDUJZGKTTA-GOSISDBHSA-N 324.380 3.433 0 40 DGAB O=C(NCCc1ccccn1)N1CCC[C@@H]1c1ccsc1 42964508 RHQMULNPXHUCIE-OAHLLOKOSA-N 301.415 3.232 0 40 DGAB Cc1cc(CN(C)C(=O)Nc2ccc(Br)cc2)no1 43133740 LUROPRIDHSLKAG-UHFFFAOYSA-N 324.178 3.409 0 40 DGAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)n1nc(C)cc1C 48044547 XICBAKDGGGGSGG-UHFFFAOYSA-N 322.430 3.043 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1cccc(C)c1 1977369 GOPWHIVDXALIOR-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@@H]2CC[C@@H]1COC2 101466971 MGQXSKCKGNJXRL-ZIAGYGMSSA-N 321.376 3.314 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1c(OC)cccc1OC 20025468 HWUTZJSLUOJHSX-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB COc1cccc(CCNC(=O)CCCc2cccs2)c1 48298049 OWWFIOHXWAEKAS-UHFFFAOYSA-N 303.427 3.438 0 40 DGAB C[C@H]1Sc2ccc(C(=O)NC(C3CC3)C3CC3)cc2NC1=O 44895589 FGSFYTXAICLWSK-SECBINFHSA-N 316.426 3.038 0 40 DGAB C[C@H](NC(=O)C1=Cc2ccccc2OC1)c1ccc2c(c1)OCO2 27687641 GUGYCMSQNQZYNJ-LBPRGKRZSA-N 323.348 3.069 0 40 DGAB CC(C)CNC(=O)CN1CCCSc2ccc(Cl)cc21 84544302 RKTOOYSKYJVWMP-UHFFFAOYSA-N 312.866 3.414 0 40 DGAB C[C@@H]1CCCN(C(=O)CCn2ncc3c(Cl)cccc32)C1 57279363 CWWVNBHUNVOXBS-GFCCVEGCSA-N 305.809 3.338 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)NC1(c2ccccc2)CCC1 58644171 OLDOIIJZOMCAMI-ZDUSSCGKSA-N 311.429 3.336 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@H]2C=CCC2)c1 48304271 PFEVNDLHHSDGCG-GJZGRUSLSA-N 314.429 3.187 0 40 DGAB CCOC(=O)[C@H]1CCCCN1C(=O)c1cc(SC)ccc1C 60354496 LHZISDZOIVADON-OAHLLOKOSA-N 321.442 3.275 0 40 DGAB CC(=O)c1ccccc1OCC(=O)NCc1ccc(Cl)cc1 3441079 ADQGQVCOXUSLGZ-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB Cc1nc(COC(=O)c2cc(O)c3ccccc3c2O)cs1 3441838 FVZIEJLGRLIWGL-UHFFFAOYSA-N 315.350 3.373 0 40 DGAB O=C(Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1)C1CCC1 62548777 XHYUNWSBBDBMTI-UHFFFAOYSA-N 320.348 3.226 0 40 DGAB CCn1c(CNC(C)(C)C(C)(C)CO)nc2c(F)cccc21 83840058 WUHQZNNHEJWESA-UHFFFAOYSA-N 307.413 3.082 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1NC(=O)c1ccc2cc[nH]c2c1 71924322 HNHMDEAUOXUVTK-RDJZCZTQSA-N 306.365 3.462 0 40 DGAB CCCCCCC(=O)Oc1ccc(N2C(=O)CCC2=O)cc1 4175197 WRJYENHIJRQRFF-UHFFFAOYSA-N 303.358 3.216 0 40 DGAB CN1C(=O)S/C(=C\c2ccc(Br)s2)C1=O 408813125 OFGCQNFHWZHECU-XQRVVYSFSA-N 304.190 3.177 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)NCCc1ccccc1 14240845 KUPQSPCOGNXFAW-UHFFFAOYSA-N 322.412 3.293 0 40 DGAB COc1ccc(Cc2nnc3n2N=C(C(C)(C)C)CS3)cc1 6550308 JGUBHZXLCMVFIO-UHFFFAOYSA-N 316.430 3.233 0 40 DGAB CCC(=O)Nc1ccc(C(=O)COC(=O)CC2CCCC2)cc1 5528648 KVSMAAMKYNCZBK-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(Cl)ccn2)c1 5798263 GTKCUNRDVMPNIB-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB CC(C)(C)C(=O)Cn1cnc2c(Cl)cc(Cl)cc2c1=O 6906082 KNGIQSRURMBRGU-UHFFFAOYSA-N 313.184 3.319 0 40 DGAB Cc1cc(CSc2nnc(C)n2CCc2cccs2)on1 67756704 IJHVWSQQCSCPNZ-UHFFFAOYSA-N 320.443 3.479 0 40 DGAB C[S@](=O)c1ccc(CN(C[C@@H]2CCCO2)C2CCCC2)cc1 93666199 YQMAHJOJHLKLEV-HTAPYJJXSA-N 321.486 3.348 0 40 DGAB COc1ccc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c(OC)c1 7886017 YHXRWSYPIANHFB-GOSISDBHSA-N 324.380 3.433 0 40 DGAB O=C(CCn1c(=O)oc2cc(Cl)ccc21)N1CCCCCC1 7912667 VJYMAJBXAIXJHD-UHFFFAOYSA-N 322.792 3.041 0 40 DGAB CCOCCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 8074856 RCJJBXMSMKIDEH-AWEZNQCLSA-N 315.413 3.495 0 40 DGAB C[C@H](NC[C@@H](c1ccsc1)N(C)C)c1nc(C(C)(C)C)no1 69157772 CLTFNKWNSRRWDW-AAEUAGOBSA-N 322.478 3.382 0 40 DGAB CN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCOc2ccccc21 69327837 KVFKLDCIHUHOLS-AWEZNQCLSA-N 317.335 3.490 0 40 DGAB O=C(Cc1cccs1)Nc1ccnn1CCc1ccccc1 69390487 LJPBQKMOZRIQEJ-UHFFFAOYSA-N 311.410 3.369 0 40 DGAB CCN(CCC(F)(F)F)C(=O)CCc1ccc(OC)cc1 69415848 OOBDMGFYQJUUPD-UHFFFAOYSA-N 303.324 3.429 0 40 DGAB Cc1ccc(NC(=O)N[C@H](C)[C@H](C)n2cncn2)cc1Cl 69668355 SHVQOQUTGGEYOA-MNOVXSKESA-N 307.785 3.011 0 40 DGAB CC(C)n1ncc2cc(NC(=O)Cc3cccc(F)c3)cnc21 17526294 DLAMYLQSKOISKM-UHFFFAOYSA-N 312.348 3.333 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccccc2F)cn1 71796863 NVEVIDXMOBFRDZ-VYDXJSESSA-N 313.376 3.026 0 40 DGAB CCc1cc(NC(=O)Cc2nc(-c3ccsc3)oc2C)[nH]n1 71867382 URVLQIWNAYSMDL-UHFFFAOYSA-N 316.386 3.178 0 40 DGAB COc1ccc(CCCNC(=O)Nc2ccccc2)cc1OC 64960470 GDWBXIFPVDFHIY-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cncc(Cl)c1Cl 97046979 KMGRYRUUPOOYCH-UHFFFAOYSA-N 300.145 3.174 0 40 DGAB CCN(C(=O)CCOc1ccccc1OC)c1nc(C)cs1 72292231 LEFXRAOYPAOYDB-UHFFFAOYSA-N 320.414 3.282 0 40 DGAB Cn1nccc1[C@H]1CCCN(CCCc2nc3ccccc3o2)C1 72272646 UOWWPFDAKOURON-HNNXBMFYSA-N 324.428 3.374 0 40 DGAB COc1ccc(C(=O)NCc2ccc(F)cc2Cl)cc1OC 72331532 PMWSECBHLUIVFW-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1ccc2cc[nH]c2c1)c1ccccc1 97228702 VIUAJIBJFQRJAH-SJKOYZFVSA-N 322.364 3.360 0 40 DGAB COc1ccsc1C(=O)NC[C@H](C[C@@H](C)O)c1ccccc1 95413161 FUIKVDZWRKIKDC-OCCSQVGLSA-N 319.426 3.041 0 40 DGAB COCCCC(=O)O[C@H]1C[C@@H](OCc2ccccc2)C1(C)C 95467947 DFYNYPJOFNIQJK-CVEARBPZSA-N 306.402 3.340 0 40 DGAB Cc1ccoc1C(=O)N[C@@H](c1ccc(Cl)cc1)c1ncon1 95445543 XUHFDZICDXBDKT-LBPRGKRZSA-N 317.732 3.144 0 40 DGAB CN(C(=O)NC[C@@H](c1cccs1)N1CCCC1)C1CCC1 73494832 JERWVLIUZHPMRC-AWEZNQCLSA-N 307.463 3.079 0 40 DGAB Cc1ccc(NC(=O)CN[C@@H](CCO)C2CCCCC2)cc1C 95995957 PUKJGRIMOHNZII-SFHVURJKSA-N 318.461 3.163 0 40 DGAB NC(=O)c1cccc(OC(=O)c2scnc2C2CCCC2)c1 95939893 NJMPAIHIDHTVDM-UHFFFAOYSA-N 316.382 3.119 0 40 DGAB S=C(NCc1ccccc1-n1cccn1)NC1CCCCC1 89813982 OEDATOPHMIMJBH-UHFFFAOYSA-N 314.458 3.169 0 40 DGAB O=C(NC[C@@H]1CCOC2(CCC2)C1)Nc1cc(C2CC2)ccn1 556632862 IRYWUKZPTYOEPL-CYBMUJFWSA-N 315.417 3.430 0 40 DGAB O=C(O)c1ccc(Cn2c(C(F)(F)F)nc3cccnc32)cc1 45796149 HVKTXTXDUVLYRS-UHFFFAOYSA-N 321.258 3.197 0 40 DGAB COCc1cc(C(=O)NCc2ccc(Cl)cc2)ccc1OC 224394149 AJJDUWUWSZBEIC-UHFFFAOYSA-N 319.788 3.425 0 40 DGAB Cc1cccnc1NC(=S)N[C@@H](C)COc1ccccc1 225784412 HTLFTXLRMVWRIA-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB CC(C)(C(=O)O)[C@@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 195552113 PJERWQZEPDGDBF-CQSZACIVSA-N 321.392 3.108 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1ccccc1C)C(=O)O 225103681 RORRUTOYWCSDHT-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(c3ccccc3)NCCC[C@@H]12 228975099 XRRQIGUDVJTTIW-QAPCUYQASA-N 302.418 3.275 0 40 DGAB CC(C)C(=O)Nc1nc(CCCc2c[nH]c3ccccc23)n[nH]1 95478199 IUUDUEIHWCMEED-UHFFFAOYSA-N 311.389 3.056 0 40 DGAB c1ccc(CCn2cnc3c2CCN(Cc2ccccn2)C3)cc1 97237253 XVHQVWFUHPCUSS-UHFFFAOYSA-N 318.424 3.079 0 40 DGAB COC(=N)C1=CN(C(=O)OC(C)(C)C)CC[C@H]1C(F)(F)F 95626827 MPTMRVJPWNYAJZ-SECBINFHSA-N 308.300 3.313 0 40 DGAB Cc1ccc(CNc2ccc([C@H](O)c3nccn3C)cc2)s1 96482764 ROKJIRBUQSIIKT-INIZCTEOSA-N 313.426 3.484 0 40 DGAB COCCN(Cc1ccccn1)Cc1cnc(-c2ccccc2)o1 585136845 VOZNHOUDVVUZSY-UHFFFAOYSA-N 323.396 3.385 0 40 DGAB CN(C)c1cccc(CC[C@@H]2CCCCN2C(=O)C2CCC2)n1 257236926 HEJALEIZCAXGGE-KRWDZBQOSA-N 315.461 3.261 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CN2CCC[C@H](O)C2)cc1 257336554 YOYPCCHQNKMVNF-INIZCTEOSA-N 311.381 3.009 0 40 DGAB CC(C)C(=O)N1C[C@@H](c2ccccc2)[C@@H]2NCCCCC[C@@H]21 257284134 PBIPTXORPUBCCM-BZSNNMDCSA-N 300.446 3.169 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)cc1)Nc1ccccc1F 32779489 IPQCZTUKTJHRBJ-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB CCN(Cc1cccs1)C(=O)NC[C@@H](c1ccco1)N(C)C 44891238 GJQCGKNZQRVAHA-AWEZNQCLSA-N 321.446 3.176 0 40 DGAB C[C@@H](CS(C)(=O)=O)NC[C@@H](C)c1c(Cl)cccc1Cl 95985006 QMGNNEWPOKDKFS-ZJUUUORDSA-N 324.273 3.120 0 40 DGAB C[C@H](C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1)c1cccs1 97017492 CMUHGFYGNIOKOS-GXFFZTMASA-N 321.373 3.323 0 40 DGAB CSc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cn1 95466399 UCPOTSTWQDPSKM-LBPRGKRZSA-N 322.455 3.349 0 40 DGAB COc1cccc(/C=C2/N=C(c3ccccc3OC)OC2=O)c1 297124 RWOGZFJLDULKKD-RVDMUPIBSA-N 309.321 3.048 0 40 DGAB CC1(C)C[C@@H]2CN(C(=O)C3CC3)CC[C@@H]2N1c1cccc(F)c1 1615157973 PDMPUUATIVDLAW-PBHICJAKSA-N 316.420 3.442 0 40 DGAB O=C(NCCC1=CCCCC1)C(=O)Nc1ccc(F)c(Cl)c1 5251092 LQUFGTDISWTXKA-UHFFFAOYSA-N 324.783 3.424 0 40 DGAB Cc1ncc(C(=O)NC2(c3ccccc3F)CCCC2)c(C)n1 12197957 IWBLHKROHPAZCL-UHFFFAOYSA-N 313.376 3.432 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2cc3cccc(C)c3[nH]c2=O)c1 13811434 YWFHETQCFYEBGE-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H](Cc2ccccc2)C1 19370543 YSYCOCPZUZNEQX-MSOLQXFVSA-N 301.430 3.427 0 40 DGAB CN(C)CCN(Cc1ccncc1)Cc1c(F)cccc1Cl 19582691 BXZPPPWZUAXVMM-UHFFFAOYSA-N 321.827 3.438 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@H](c4cc[nH]n4)C3)cc2c1 607853901 HQTGYQKJBCOKKG-ZDUSSCGKSA-N 310.401 3.279 0 40 DGAB O=C(O)c1cc(-c2ccc(F)c(Br)c2F)on1 258952146 WTUZKAODPRMRHU-UHFFFAOYSA-N 304.046 3.081 0 40 DGAB O=C(CSc1nnc(-c2ccccc2Cl)o1)N1CCCC1 417681 FFTCOXTXJYUXIC-UHFFFAOYSA-N 323.805 3.105 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1cc(Cl)ccc1Cl 4281519 DMGIADZCFRGMAZ-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)c1c(F)cccc1Cl 75155228 JPHUHGSWPGTVSH-LLVKDONJSA-N 313.781 3.312 0 40 DGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@@H]2CCCC[C@@H]2C1 40553227 IOBBQTBKVACFBM-DZGCQCFKSA-N 311.385 3.389 0 40 DGAB O=C(/C=C/c1ccco1)Nc1ccc(CC(=O)N2CCCC2)cc1 32000787 AVNLNUOQPIIASI-MDZDMXLPSA-N 324.380 3.096 0 40 DGAB CCOc1ccc(CN2CCC(C(=O)NC(C)(C)C)CC2)cc1 299628 RHOWYEJJKYBDCH-UHFFFAOYSA-N 318.461 3.212 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@@H](C)OC[C@@H]3C)cs2)cc1 32797042 SSJISBGLEHXDOP-QWHCGFSZSA-N 316.426 3.368 0 40 DGAB Cc1noc(CN2CCC[C@@H]2c2ccc(Br)cc2)n1 52453522 LKBHRKAKOOUVSJ-CYBMUJFWSA-N 322.206 3.478 0 40 DGAB CSc1ccccc1NC(=O)CCSc1nncs1 32871087 ATZIAWCCLPKETI-UHFFFAOYSA-N 311.457 3.381 0 40 DGAB CCOc1ccc(NC(=O)c2cc(-c3cccnc3)on2)cc1 32925992 SIVXONABFABEFH-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@@H](N(C)Cc2ccccc2)C1=O 103022509 YMFLPQAUOQRVEZ-QGZVFWFLSA-N 322.408 3.067 0 40 DGAB O[C@@H](COc1ccccc1)CSc1nc2ccccc2o1 34260 DZGQVAMDVYYOKS-LBPRGKRZSA-N 301.367 3.360 0 40 DGAB CCOC(=O)c1ccc2[nH]c3c(c2c1)CCC[C@@H]3C(=O)OCC 104461 DKFCHNMEFGQKMQ-ZDUSSCGKSA-N 315.369 3.328 0 40 DGAB O=C(Nc1cccc(-c2ncon2)c1)c1cccnc1Cl 165071 CRSIFQRLKJVZOZ-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB CC(C)CCNC(=O)C1CCN(Cc2ccc(F)cc2)CC1 299643 ACLPVFZPCPFEBZ-UHFFFAOYSA-N 306.425 3.200 0 40 DGAB CCOc1ccccc1NC(=O)C1C[C@H]2CCC[C@H](C1)C2=O 1050547 RRVWFVGFTOCDQQ-CHWSQXEVSA-N 301.386 3.419 0 40 DGAB CCCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)C(C)C 1268169 UWISEESAKRQZQO-UHFFFAOYSA-N 300.402 3.231 0 40 DGAB CCn1c(CCCNC(=O)c2cccs2)nc2ccccc21 2460924 NQUXGKMKAKJUTJ-UHFFFAOYSA-N 313.426 3.480 0 40 DGAB CCCC[C@@H]1c2[nH]c3ccccc3c2C[C@H](C(=O)O)N1C(C)=O 3173787 SCCFPAMTAIFDLY-HZPDHXFCSA-N 314.385 3.257 0 40 DGAB O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1 3240373 PRUGYABZNYFQLC-UHFFFAOYSA-N 302.351 3.137 0 40 DGAB Cc1nc(SCC(=O)N2CCc3ccccc32)nc(C)c1C 3344899 DLWTVLWBPPPXGX-UHFFFAOYSA-N 313.426 3.083 0 40 DGAB C[C@@H]1C[C@@H](C)CN(S(=O)(=O)Cc2ccc(Cl)cc2)C1 4731547 GJFBHIPQNDJNNZ-VXGBXAGGSA-N 301.839 3.148 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)c3ccc(=O)[nH]n3)cc2)c1 6908992 VYLFAOWDIRJFTD-UHFFFAOYSA-N 321.336 3.123 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(F)cc(F)c1 7596937 BWQOIXXQQQBFAT-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1F 7612517 WMHSLTBRXAUFLQ-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@H]1CS[C@]2(C)CCC(=O)N12 7669926 WALBHTZRFLSKRE-IUODEOHRSA-N 324.833 3.041 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cncn1-c1ccc(F)cc1 7986920 NSFPJZYOOIIDOH-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB CC(=O)NCc1ccc(C(=O)CSc2ccc(F)cc2)cc1 8574182 IDJAIEUMQZGYPT-UHFFFAOYSA-N 317.385 3.437 0 40 DGAB Cc1noc(C)c1C[S@](=O)c1ccc(Br)cc1 8762231 HATTUPVLEWBXSN-QGZVFWFLSA-N 314.204 3.362 0 40 DGAB C[C@@H](Cc1nnc(NC(=O)[C@H]2CCCO2)s1)c1ccccc1 9095491 YFQCLJUNCTZTLO-WCQYABFASA-N 317.414 3.002 0 40 DGAB COc1ccccc1C(=O)OCc1cc2cc(C)ccc2[nH]c1=O 9234233 WHVPEKOHNMHDIF-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(C)o2)cc1 9253600 RMRIAORZTYVMLK-GFCCVEGCSA-N 301.342 3.334 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3cccs3)ccc21 9827702 VFOCDSVQOAVERD-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1F 10235288 GQMLUKGEXZXQNC-UHFFFAOYSA-N 323.371 3.309 0 40 DGAB Oc1ccccc1Oc1ccc2nnc(-c3ccccc3)n2n1 12409771 AFKDOXLFKFCKKB-UHFFFAOYSA-N 304.309 3.289 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2nccs2)c1 13691332 ZBMQDVGXBMUZQB-UHFFFAOYSA-N 301.371 3.135 0 40 DGAB COc1cc(O)c(OC)c2c1C(=O)C[C@H](c1ccccc1)O2 14807132 JPDGNPJTSCOMQE-CYBMUJFWSA-N 300.310 3.116 0 40 DGAB biogenic CCOc1cccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)c1 15860140 LYFAOHHYZVQPHD-MRXNPFEDSA-N 316.401 3.019 0 40 DGAB Cc1ccccc1CNC(=S)Nc1ccc2c(c1)OCCO2 17451707 NEIMFNQYFZAGMC-UHFFFAOYSA-N 314.410 3.253 0 40 DGAB Cc1cccc(CN2[C@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)n1 19236124 ZHDZQEWYRMXVRO-DOTOQJQBSA-N 319.412 3.003 0 40 DGAB CCC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1onc(C)c1C 19498804 OIQCKVOPSGWCTE-AWEZNQCLSA-N 316.405 3.156 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2cc(F)ccc2F)cc1OC 20029743 QWMQRKIGFYQTHR-JTQLQIEISA-N 321.323 3.473 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)c1 20040912 PULBMXAFOLIKBA-OLZOCXBDSA-N 317.360 3.479 0 40 DGAB CC(C)CNC(=O)[C@@H](C)Nc1ccc(OC(F)(F)F)cc1 20359171 HXZYKONXBYAENP-SNVBAGLBSA-N 304.312 3.158 0 40 DGAB CCOc1cc2c(cc1OCC)[C@@H](c1cccc(O)c1)NCC2 20506902 BXKODDFQFQFCLQ-LJQANCHMSA-N 313.397 3.425 0 40 DGAB Cc1cc(Cl)ccc1OCc1cc(=O)n2ccsc2n1 21368768 XXILOQQEFDXVPF-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB O=C(NCC1(N2CCCCC2)CCCCC1)c1ccncc1 22414049 RDRBGKPYQISHCZ-UHFFFAOYSA-N 301.434 3.000 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CC=C(c2ccccc2)CC1 24013910 UBBIBWRTTNVTMS-UHFFFAOYSA-N 303.365 3.492 0 40 DGAB COc1ccc(NC(=O)NC[C@H](OC)c2ccccc2)cc1 25247874 MIKAJOVNGFFEER-INIZCTEOSA-N 300.358 3.204 0 40 DGAB Cc1ccc(S(=O)(=O)NCCSC2CCCC2)s1 26978901 ZRSPTJOEYVAEBY-UHFFFAOYSA-N 305.490 3.011 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCCCC2)c(C)c1C 27587976 RBROXMGPHAVWLO-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB COCC(=O)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 27979691 FRTNYFUBLZAYQP-UHFFFAOYSA-N 324.336 3.270 0 40 DGAB CCCCn1nnc(NCc2ccc(Cl)cc2Cl)n1 32617089 WJDYRJSBTKJVGQ-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB CCCc1noc([C@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 32770102 FWJQPKPJVFOWAS-SWLSCSKDSA-N 319.380 3.296 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)cc1 32901360 XSUMAXASXOKNRW-JLHYYAGUSA-N 308.381 3.317 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1 34858979 PTERKYMSIYGEGY-QGZVFWFLSA-N 322.452 3.182 0 40 DGAB CC[C@H](C)Nc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 36613258 JTNYNOGZRIKSBG-QMMMGPOBSA-N 313.327 3.415 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccccc2C)C1=O 36635381 DLZCJLYFRJPWRC-MRXNPFEDSA-N 308.381 3.301 0 40 DGAB CC1CCC(N(C)C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 40151350 ZVVSVSPDTUJGGL-AQFXKWCLSA-N 315.461 3.335 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3ccc(F)cc3F)c2)n[nH]1 40555281 ZOFXRHHMPISCRV-UHFFFAOYSA-N 314.295 3.311 0 40 DGAB Cc1ccc(CNC(=O)CCCc2nc(C(C)C)no2)cc1 41613182 LBBQPKOZGTVVSX-UHFFFAOYSA-N 301.390 3.141 0 40 DGAB O=C(NCc1ccc(F)cc1)c1c(Cl)nc2ccccn12 47241797 NEOOKJFHMNOEKU-UHFFFAOYSA-N 303.724 3.057 0 40 DGAB CSCCC(=O)N[C@H](CCSC)c1nc2ccccc2[nH]1 50965825 QXRCAAKFRYXKHC-CYBMUJFWSA-N 323.487 3.226 0 40 DGAB CCOc1cc(-c2ccccc2)sc1C(=O)Nc1nc[nH]n1 52555753 QKWCCTUDCFQENI-UHFFFAOYSA-N 314.370 3.184 0 40 DGAB CNC(=O)c1cc(-c2ccccc2C)nc2c1cnn2C(C)C 54565112 PENZILASCQDYOV-UHFFFAOYSA-N 308.385 3.347 0 40 DGAB O=C(C=C(C1CC1)C1CC1)Nc1cccc(N2CCCC2=O)c1 55045945 UMNNDHZZDWKOHD-UHFFFAOYSA-N 310.397 3.498 0 40 DGAB CC(C)(C)n1nc2c(c1-n1cccc1)CN(C(=O)c1ccco1)C2 56907383 PHPVYQJJKFJKKD-UHFFFAOYSA-N 324.384 3.178 0 40 DGAB Fc1cc(CN2CCC(c3cc[nH]n3)CC2)c2ncccc2c1 58404194 VDOKAXORASVSIQ-UHFFFAOYSA-N 310.376 3.477 0 40 DGAB O=C(Nc1cccnc1)c1ccc(-c2ccc3c(c2)OCCO3)o1 65435127 RRSNVWPFGSOKMW-UHFFFAOYSA-N 322.320 3.365 0 40 DGAB CN(C)c1ccc(NC(=O)c2cc3ccccc3cc2O)nc1 65489371 AZNTZELOAFVSHD-UHFFFAOYSA-N 307.353 3.259 0 40 DGAB CCCc1nc(C)c(C(=O)Nc2n[nH]c(-c3ccco3)n2)s1 65515593 MAZFSMPOGSERNE-UHFFFAOYSA-N 317.374 3.034 0 40 DGAB CCC(=O)N1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 65610102 GBIWKXPYWQZWNR-OAHLLOKOSA-N 305.418 3.428 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 66707363 MSTFUKJETWXEBD-WBMJQRKESA-N 307.340 3.221 0 40 DGAB Cc1cccc(-c2cccc(CNC(=O)[C@H](C)n3cncn3)c2)c1 69563949 UHCXHCPNLAQMQT-HNNXBMFYSA-N 320.396 3.131 0 40 DGAB CC[C@H](Sc1ccccc1)C(=O)N(CC)C[C@H]1CCOC1 71896089 KOUBQTUJQYEDID-ZBFHGGJFSA-N 307.459 3.442 0 40 DGAB CC(C)OCCC(=O)N1CCC[C@@H]1c1cccc(N(C)C)c1 71910578 DYSNKGMJZKUUDX-QGZVFWFLSA-N 304.434 3.231 0 40 DGAB CC(C)c1ccc([C@H]2C[C@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 72293470 BQLILBXPJAZUBN-IAGOWNOFSA-N 309.413 3.222 0 40 DGAB CCc1csc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)n1 76082124 CSEZUANPGHBUPS-QMMMGPOBSA-N 308.407 3.063 0 40 DGAB CC(C)CCC(=O)OC1CCN(c2ccc(Cl)nn2)CC1 78988984 IRFMQOGRPFLAOC-UHFFFAOYSA-N 311.813 3.078 0 40 DGAB Cc1cncc(C(=O)N2C[C@H](c3ccccc3)OCC2(C)C)c1 79957586 FCHQSLACMAPAQI-QGZVFWFLSA-N 310.397 3.382 0 40 DGAB Cc1ncc(CNC[C@@H](O)c2cccs2)n1-c1ccccc1 84045553 SAJKXQNPUQZDGW-MRXNPFEDSA-N 313.426 3.065 0 40 DGAB COc1ccc(NS(=O)(=O)C[C@H](C)c2ccccc2)cc1F 84640579 GPCRVCGXKLZRTK-LBPRGKRZSA-N 323.389 3.380 0 40 DGAB Cc1nc(CN[C@@H]2CCN(c3c(F)cccc3F)C2)cs1 88755382 LBHIUPDKYUGQKB-LLVKDONJSA-N 309.385 3.098 0 40 DGAB Cc1cccc(OCC(=O)OCc2cn3cc(C)ccc3n2)c1 89677579 RDUQYROMYDISES-UHFFFAOYSA-N 310.353 3.073 0 40 DGAB OCC[C@H]1COCCN1Cc1sc2ccccc2c1Cl 89866546 DIMOFUNOHXHVTG-NSHDSACASA-N 311.834 3.138 0 40 DGAB CS(=O)(=O)CCN[C@H](c1ccc(Cl)c(Cl)c1)C1CC1 91312015 FNNNITDQFGJKTK-ZDUSSCGKSA-N 322.257 3.079 0 40 DGAB CC(C)NC(=O)Cc1ccc(NCc2nccn2C(C)C)cc1 95411951 OTULYTSPOREHIC-UHFFFAOYSA-N 314.433 3.143 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1C[C@H](O)c1ccco1 95412367 YMSLNYZLORRJCY-CABCVRRESA-N 318.417 3.066 0 40 DGAB C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1Cl 95980960 QYZMKENCTGACHT-JTQLQIEISA-N 320.751 3.265 0 40 DGAB O=C(N[C@@H]1CCCc2cn(CC(F)(F)F)nc21)c1ccccc1 96002968 ZGYGZGGPXJEQHO-CYBMUJFWSA-N 323.318 3.253 0 40 DGAB COc1cc(CCC(=O)N(C)c2ccnc(C)c2)cc(OC)c1 96006618 BZGCKPRQBKDWDE-UHFFFAOYSA-N 314.385 3.003 0 40 DGAB Cc1ccc(CN2CCCn3cnc(COCC4CC4)c3C2)o1 96059019 HMRKHDZAELBUIZ-UHFFFAOYSA-N 315.417 3.117 0 40 DGAB C[C@@H](CNC(=O)N[C@@H](C)c1ccccn1)Oc1ccccc1F 96437615 QXTPMKATPMOZLL-STQMWFEESA-N 317.364 3.048 0 40 DGAB CCc1nc(C)c([C@@H](C)N(C)C(=O)NCc2cc(C)on2)s1 96439462 OJXNREUETIJPHK-LLVKDONJSA-N 322.434 3.213 0 40 DGAB COc1ccc(COC(=O)c2csc(-c3ccoc3)n2)cn1 96442961 BMNSNMUEXWUKQQ-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB COC[C@@H](C)NCc1ccc(Br)c2cccnc12 96495890 NKDQKZUDQUYQCA-SNVBAGLBSA-N 309.207 3.122 0 40 DGAB OCc1ccc(CN[C@@H]2CCCOc3c(Cl)cccc32)o1 97035197 PAFQEXXWVNZPGR-OAHLLOKOSA-N 307.777 3.429 0 40 DGAB Cc1cc(COC(=O)c2c(C)cc(C)[nH]c2=O)c2ccccc2n1 97050280 KGIHGBYYNRJUAE-UHFFFAOYSA-N 322.364 3.205 0 40 DGAB CS[C@@H](C)CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 97080642 KLUXNCMSPKPFNV-FZMZJTMJSA-N 324.494 3.405 0 40 DGAB CCCn1cc(N[C@@H](C)C(=O)Nc2cc(F)ccc2C)cn1 97140100 AYQNEWJPXYCGIK-LBPRGKRZSA-N 304.369 3.180 0 40 DGAB O=C(c1ccc2nccn2c1)N1CCCCC[C@H]1c1ccncc1 97212287 SCWZTPBUBGRXEB-KRWDZBQOSA-N 320.396 3.487 0 40 DGAB COc1ccc(C)nc1NC(=O)N(C)Cc1cc(Cl)cn1C 97378612 IHBTWBGLUMJDMN-UHFFFAOYSA-N 322.796 3.054 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)[C@@H]1C[C@H]2CC[C@H]1C2 105577167 GUZHSAPXLFFRMF-GRDNDAEWSA-N 314.429 3.455 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](CNc2nnc(C3CC3)s2)C1 195575658 SBXGGBVUZJMJGD-JTQLQIEISA-N 324.450 3.084 0 40 DGAB COc1ccc(OCC(=O)NC(C)(C)Cc2ccccc2)cc1 223419900 MOGIHEUFKYEERN-UHFFFAOYSA-N 313.397 3.212 0 40 DGAB Cc1ccc(C(=O)NCc2ccnc(N3CCCCC3)n2)cc1C 224205348 ZDDDNINIIXLORA-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB O=C(O)C1CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 225466108 KZQDNSJPXONJQF-QZTJIDSGSA-N 323.392 3.267 0 40 DGAB O=C(/C=C/c1ccco1)NCc1cccnc1-c1ccncc1 225748164 FOYYFMUHOWFTCB-AATRIKPKSA-N 305.337 3.066 0 40 DGAB COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H]1Cc1ccccc1 242437253 BVDCGWOBJZAZMI-KSSFIOAISA-N 319.401 3.076 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3Cc3nccs3)C2)o1 248073878 GXHKPNLWTZSUHT-GOEBONIOSA-N 317.458 3.141 0 40 DGAB O=C(c1cc2ccc(F)cc2[nH]1)N1CCC[C@@H](c2ccn[nH]2)C1 257216422 CUMMTORIHWRMIY-GFCCVEGCSA-N 312.348 3.050 0 40 DGAB Cc1cc([C@@H]2CN(C(=O)CCC3CCCC3)CCO2)ccn1 257299858 RRYNZCVKRQBVJI-KRWDZBQOSA-N 302.418 3.260 0 40 DGAB Cc1cc(NC2CC3(CCN(Cc4ccsc4)C3)C2)ncn1 257300360 RTYXIQALUZXSQW-UHFFFAOYSA-N 314.458 3.313 0 40 DGAB CNc1cc([C@@H]2CCCN(C(=O)c3ccsc3)C2)ccn1 257331513 XTEXEZQNLLTRMN-CYBMUJFWSA-N 301.415 3.205 0 40 DGAB COc1ccc(OCC(=O)NCCSC2CCCCC2)cc1 409029039 ULTRCCUYQUMQSM-UHFFFAOYSA-N 323.458 3.256 0 40 DGAB O=C(c1cnnc2ccccc12)N1CCC(C(F)(F)F)CC1 528696031 OKUGFMBBMXJVGK-UHFFFAOYSA-N 309.291 3.044 0 40 DGAB Cc1nccn1[C@H]1C[C@H]2CN(CC3CCCCC3)C[C@H]2C[C@@H]1O 2332242805 RQZZTCQOYOQUGC-RDGPPVDQSA-N 317.477 3.016 0 40 DGAB COC(=O)c1ccc(COc2c(F)c(F)cc(F)c2F)o1 373770 HPQDMLOVUVFWRW-UHFFFAOYSA-N 304.195 3.202 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1cccc2ccccc12 411586 FDGPLXLDOWQIED-UHFFFAOYSA-N 302.337 3.223 0 40 DGAB O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)on1 815178 HFJLJWXTBKGWLF-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)Sc2cc(C)ncn2)cc1 1286601 NMIWNHCZFKLARD-LBPRGKRZSA-N 301.415 3.467 0 40 DGAB Cc1ccc(CC(=O)Nc2cc(C(F)(F)F)ccc2O)cn1 78992632 UGKNFHKUVCZERV-UHFFFAOYSA-N 310.275 3.296 0 40 DGAB C[C@@H]1CCc2c(sc3ncnc(NC[C@H]4CCCO4)c23)C1 1972847 POHPARJKILSJOV-GHMZBOCLSA-N 303.431 3.407 0 40 DGAB CCOc1ccc(Nc2c3c(nc4ncnn24)C[C@H](C)CC3)cc1 4092012 TWSDVVLVSKXWAU-GFCCVEGCSA-N 323.400 3.391 0 40 DGAB COc1ccc(C[C@@H]2CCCN2C(=O)CC[C@@H]2CCCO2)cc1 55613962 UBFPJABHFLLGIA-WMZOPIPTSA-N 317.429 3.188 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2[nH]c3ccccc3c2Cl)n1 84286469 WUGJRQAXPCWVEV-ZETCQYMHSA-N 304.737 3.004 0 40 DGAB Cc1nnsc1C(=O)Nc1ccc(N2CCCCCC2)cc1 12515001 CARIJUVDCRPNPD-UHFFFAOYSA-N 316.430 3.479 0 40 DGAB Cc1cc2nc(NCCCc3cn[nH]c3C)c3ccccc3n2n1 26701939 HXMFCJLDBJJOTH-UHFFFAOYSA-N 320.400 3.267 0 40 DGAB Cc1ccsc1CN[C@H](C)c1ccc2c(c1)NC(=O)CO2 27221322 BRBRIZZOOZQWPJ-LLVKDONJSA-N 302.399 3.238 0 40 DGAB Cc1ccc(/C=C/C(=O)N(CCN(C)C)Cc2ccc(C)o2)o1 58023393 ZHWKTCFOYGPLSN-MDZDMXLPSA-N 316.401 3.093 0 40 DGAB O=C(NCCCCn1ccnc1)c1cccc(Cl)c1Cl 58143591 MMUVKQCZYXOWCE-UHFFFAOYSA-N 312.200 3.400 0 40 DGAB O=C1[C@H]2CC=CC[C@H]2C(=O)N1CCCc1c[nH]c2ccccc12 12654142 GPWZNAGGPATAOO-IYBDPMFKSA-N 308.381 3.052 0 40 DGAB biogenic Nc1ccc2nn(-c3cccc(Cl)c3)nc2c1Br 20134598 MITQNIWECQPGOD-UHFFFAOYSA-N 323.581 3.419 0 40 DGAB CC(C)Cn1ccnc1NC(=O)c1cnc(-c2ccccc2)nc1 58417504 CDAVGAVXQOHZMZ-UHFFFAOYSA-N 321.384 3.248 0 40 DGAB Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@H]3C2)s1 107742882 XXPYSZHYRBUERZ-YOEHRIQHSA-N 312.438 3.151 0 40 DGAB COc1ccc(NC(=O)NC[C@@H](C)c2nc(C)cs2)c(C)n1 97113390 CGCIDGMVELARBK-SECBINFHSA-N 320.418 3.089 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 60158292 VUBLTIIZYZGYEH-CYBMUJFWSA-N 309.369 3.069 0 40 DGAB OCCNc1nc2ccccc2n1Cc1ccccc1Cl 2636572 HEYRVZZDQBLLHY-UHFFFAOYSA-N 301.777 3.142 0 40 DGAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccccc1Cl)C2=O 3396910 JDEMWPQGDPHINM-BZNIZROVSA-N 306.793 3.341 0 40 DGAB O=C(CCCn1c(=O)oc2ccccc21)NC1CCCCCC1 3456967 JETRDANMEDVBTM-UHFFFAOYSA-N 316.401 3.214 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N(C)Cc2ccccc2C)cc1 3579044 OQMADTDIBZOBOH-UHFFFAOYSA-N 317.410 3.018 0 40 DGAB COc1ccc([C@H]2CCCN2CC(=O)Nc2ccccc2)cc1 12921171 WHKREKYWYSDADT-GOSISDBHSA-N 310.397 3.471 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)CC(C)(C)C)cc1 48908462 LUMHPOIJXNHGKX-CYBMUJFWSA-N 304.434 3.267 0 40 DGAB CCOc1ccccc1C(F)(F)C(=O)N[C@H](C)c1ccncc1 95435506 GUIAUNGENUJHHQ-GFCCVEGCSA-N 320.339 3.450 0 40 DGAB COCc1ccc([S@@](=O)Cc2cn3c(C)cccc3n2)cc1 95440987 QGMSPPPLKIRWHH-JOCHJYFZSA-N 314.410 3.097 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cc(Br)c[nH]1 14199685 TUCUAHZYKFIJRG-VIFPVBQESA-N 323.190 3.277 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1 6617879 FRNMROZSYOJLDC-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 4846460 XSYDASDJHIEZEW-OFQRWUPVSA-N 303.402 3.093 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2ccccc2Cl)cs1 9448294 PFODOCBLGFPARB-UHFFFAOYSA-N 310.762 3.112 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1cc2ccccc2oc1=O 7215243 DLNXVCWGMDHZRK-OAHLLOKOSA-N 321.332 3.047 0 40 DGAB COc1ccc(CC(=O)Nc2cc(C)ccc2OC)c(OC)c1 8133840 GCZFCPQKPYOAJP-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1F 8259562 YFEXBQZOMMWYEH-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1C1CCCC1 71820107 ZSNFRANGLDGZOT-INIZCTEOSA-N 310.401 3.062 0 40 DGAB Cc1csc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 16985941 FNKCLQGNJBJBGE-UHFFFAOYSA-N 320.389 3.278 0 40 DGAB CCO[C@H]1CCCN(C(=O)CCc2c[nH]c3ccccc23)C1 71825540 LJAKTDJNMFOEGL-HNNXBMFYSA-N 300.402 3.128 0 40 DGAB CCn1c(C(=O)NCC2([C@H](O)C(C)C)CC2)cc2ccccc21 95463270 RDNYAIHLGVAJJE-QGZVFWFLSA-N 314.429 3.188 0 40 DGAB O=S(=O)(c1cccs1)N(Cc1ccccc1F)C1CC1 17333826 HFLRCCHPHGCIKQ-UHFFFAOYSA-N 311.403 3.241 0 40 DGAB COc1ccc(NC(=O)N2CCC[C@@H]2CN2CCCC2)cc1C 71857001 BKXDJDFXBLWHLB-MRXNPFEDSA-N 317.433 3.096 0 40 DGAB CCCC1(CCC)NC(=O)N(Cc2ncc(C(C)C)o2)C1=O 69706861 BXYAFOGQCGKZDW-UHFFFAOYSA-N 307.394 3.189 0 40 DGAB CCN(CC)c1ncc(CN2CCC[C@H](c3ncc[nH]3)C2)s1 92071330 NLGQYXDJUJSMGQ-ZDUSSCGKSA-N 319.478 3.092 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)c2n[nH]c(=O)c3ccccc23)c1 18013844 XWBKDWHEZVCAOK-ZDUSSCGKSA-N 321.380 3.031 0 40 DGAB COc1ccc(C2(c3nc(C4CC4)no3)CCOCC2)cc1 69841313 HRDSAUCTUFYFFH-UHFFFAOYSA-N 300.358 3.052 0 40 DGAB O=C(/C=C/c1ccco1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8744050 RMRHPLVTFCYQEZ-CMDGGOBGSA-N 319.364 3.268 0 40 DGAB CC(C)Oc1ccccc1CC(=O)N1CCCO[C@H]2CCC[C@@H]21 71909673 YSXOSGWRXOZNLZ-WMZOPIPTSA-N 317.429 3.186 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 9645496 RBEWNVVPEGBMJE-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB CCc1ccc([C@H](C)NCc2ccc(Cn3cncn3)cc2)o1 95419778 PKQUGAHBTXIAMP-AWEZNQCLSA-N 310.401 3.333 0 40 DGAB O=C(N[C@@H](CCCO)c1ccccc1)c1cccc2cc[nH]c12 95445715 YRODYSXJDMIPHR-KRWDZBQOSA-N 308.381 3.412 0 40 DGAB CC(C)n1ccnc1CNc1cc2c(cc1Cl)NC(=O)CO2 95411953 OZHFLCKKQIENPD-UHFFFAOYSA-N 320.780 3.060 0 40 DGAB CCc1csc(NC(=O)N(CCOC)Cc2ccc(C)o2)n1 89289688 UZVDPBHGGUMSQV-UHFFFAOYSA-N 323.418 3.287 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)C(C)(C)C 89598308 ZMZKWZXGQXAHBQ-GTJPDFRWSA-N 310.463 3.000 0 40 DGAB Cc1ccc(C(=O)N[C@H](CC(C)C)c2cccs2)c(=O)[nH]1 75121311 UZURXPZEBZMYNM-CYBMUJFWSA-N 304.415 3.262 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 89652172 NLILZIFTITUTBV-LLVKDONJSA-N 303.362 3.115 0 40 DGAB O=C(Cc1cn2ccsc2n1)N(Cc1ccsc1)C1CC1 89885453 CUEAUXSIMUXTBH-UHFFFAOYSA-N 317.439 3.191 0 40 DGAB O=C(O)c1cccc(NC(=O)c2ccc(N3CCCC3)cc2)c1 408677032 OPNRPPRYSCYPLU-UHFFFAOYSA-N 310.353 3.237 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1c(Cl)cccc1Cl 408710601 PVDNGXRVNVWUJS-LBLXLQPISA-N 322.191 3.301 0 40 DGAB CC[C@@H](C)c1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 39404085 MTUGXOBHWPROJX-SECBINFHSA-N 321.402 3.321 0 40 DGAB O=C(C[C@@H](c1ccsc1)n1cccc1)NCCn1cccc1 524733729 KYSBTFZZZPEGOM-INIZCTEOSA-N 313.426 3.147 0 40 DGAB O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCc2ccccc21 31812862 FEUQTTUYGSTHRJ-UHFFFAOYSA-N 324.767 3.384 0 40 DGAB COc1ccc(N(C)C(=S)Nc2ccc3nccnc3c2)cc1 33667737 RFHZMPGKNOHAFX-UHFFFAOYSA-N 324.409 3.472 0 40 DGAB CCc1nc(CN2C[C@@H](c3ccc(OC)cc3)C[C@@H]2C)no1 76393818 OAHQNRCJGAQHCL-JSGCOSHPSA-N 301.390 3.019 0 40 DGAB C[C@]1(c2ccccc2)CC[C@H](N2CCC(n3cncn3)CC2)C1 189826462 RLGYUUYQIYMJSI-OALUTQOASA-N 310.445 3.425 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@H]2CC[C@]2(C)[C@H](O)[C@@](C)(O)C[C@H]12 39941862 OOVXZFCPCSVSEM-XGXHKTLJSA-N 316.441 3.273 0 40 DGAB CC[C@@H](NC(=O)Nc1cn[nH]c1)c1nc(C(F)(F)F)cs1 72932126 LAXMKTWBOMBBIJ-SSDOTTSWSA-N 319.312 3.158 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1cnc(C2CC2)nc1 222597669 NLVSUCXZPNCFDA-UHFFFAOYSA-N 303.749 3.268 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccccc2F)c1 225446672 YUIVFJHMKAJGJK-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CCC1(NC(=S)Nc2ccc(C(=O)N(C)C)cc2)CCCC1 225871561 QAKXLPYJQXPUJV-UHFFFAOYSA-N 319.474 3.398 0 40 DGAB C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1ccc2ccccc2c1 195578183 JNWZLSVVTQGOIG-SUNYJGFJSA-N 312.413 3.361 0 40 DGAB Cc1ccc(NC(=S)NCCC(C)C)cc1N1CCCC1=O 225381023 NIMNDABZLALGTH-UHFFFAOYSA-N 319.474 3.454 0 40 DGAB COc1ccsc1C(=O)Nc1ccc(C)c(C(=O)N(C)C)c1 81619828 NOINZLKLBBYFAC-UHFFFAOYSA-N 318.398 3.019 0 40 DGAB C[C@H]1[C@H]2CC[C@H](C2)[C@@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 95864752 LKJLMYKYKMDEBY-MKVSYHDVSA-N 321.848 3.457 0 40 DGAB Cc1nc(CNC(=O)Nc2cccc(OCCC(C)C)c2)no1 96434325 AAUFDHOWCKJGJQ-UHFFFAOYSA-N 318.377 3.125 0 40 DGAB COC(=O)CCC(=O)N[C@H](Cc1ccccc1)c1cccs1 96408121 SBMHEDCJYIEGIA-CQSZACIVSA-N 317.410 3.101 0 40 DGAB O=S(=O)(Nc1cc(-c2ccsc2)[nH]n1)c1cccs1 95409842 PIOPYSINQFKVCO-UHFFFAOYSA-N 311.413 3.001 0 40 DGAB COc1ccccc1CC(=O)NCc1coc(-c2ccccc2)n1 96423223 SULMFNHAKHIDRR-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB O=C(c1cc(F)c(F)c(F)c1)N1CCSc2ncccc21 96425399 IDFJQYZCCMWFQY-UHFFFAOYSA-N 310.300 3.251 0 40 DGAB Cc1ncsc1CCN(C[C@@H](O)c1ccc(F)cc1)C1CC1 96424451 RMCGUZCYGLZENF-MRXNPFEDSA-N 320.433 3.331 0 40 DGAB CCNC(=O)N1CCc2ccc(NC(=O)c3cccs3)cc21 96423986 BJQDQGNSXQYJEM-UHFFFAOYSA-N 315.398 3.092 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3cc(O)ccc3O2)C1 96319632 GERKDJSKIMUBLW-KRWDZBQOSA-N 305.374 3.097 0 40 DGAB O=C(NCCc1ccccn1)[C@H](c1cccnc1)C1CCCCC1 585121749 YFJKDMZGVVFLFX-IBGZPJMESA-N 323.440 3.499 0 40 DGAB CN1CCC[C@@]2(C)[C@@H]1CCCN2C(=O)c1nccc2ccccc12 257274539 NLMLFBSEYSOVDD-PXNSSMCTSA-N 323.440 3.324 0 40 DGAB O=C(Nc1cccc(F)c1)[C@H]1[C@H](F)[C@H](F)[C@@H](F)[C@@H](F)[C@@H]1F 254744630 YOXLKZJLOHSSNS-ANNWIZPPSA-N 311.225 3.085 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 96122198 HFRXXHNEYVRKQD-HNNXBMFYSA-N 314.360 3.303 0 40 DGAB CC(C)(C)OC(=O)N(CCC(=O)O)CCc1ccc(F)cc1 582468950 WFTSZBAHHPNJSU-UHFFFAOYSA-N 311.353 3.080 0 40 DGAB O=C1CC[C@@]2(CCCN(CC3CCCCC3)CC2)N1CCF 585100024 CMUHPNIGYHKJDI-GOSISDBHSA-N 310.457 3.383 0 40 DGAB O=C(CCc1nc2ccccc2s1)NCc1ccc(O)cc1 48251462 QJDPJFKUDHNZFR-UHFFFAOYSA-N 312.394 3.251 0 40 DGAB c1cc(CN2CCO[C@H](c3ccco3)C2)cc(-n2cccn2)c1 93841194 FJEISJVBQRUXCA-SFHVURJKSA-N 309.369 3.039 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)[C@@H]2CC2(Cl)Cl)o1 76067490 OPEAJOOMZDLFMA-UWVGGRQHSA-N 320.241 3.398 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 95420828 AYAJCXGTFNIMLW-KGLIPLIRSA-N 320.433 3.008 0 40 DGAB Cn1ccnc1[C@@H](CCc1ccccc1)OC(=O)c1cccnc1 89756806 ILTCLZHXGRKQEU-QGZVFWFLSA-N 321.380 3.346 0 40 DGAB Cc1nc2ccccc2c(N2CCC[C@H](c3nncn3C)C2)c1C 97085914 NYYTUVQHANLHFF-HNNXBMFYSA-N 321.428 3.364 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)cc1C 651858926 KEJDLANXOKAVLW-UHFFFAOYSA-N 315.385 3.113 0 40 DGAB CCN(CC)CCNC(=O)Nc1ccc(Cl)c(Cl)c1 5847273 DQZQBZHYTUVKCX-UHFFFAOYSA-N 304.221 3.457 0 40 DGAB Cc1ccc(C2(NCc3cnn4c(C)cc(C)nc34)CC2)cc1 12361987 GYTNEMUJNRSORO-UHFFFAOYSA-N 306.413 3.433 0 40 DGAB CCc1ccc(/C=C/C(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1 13259943 XZJKTKUTSQZQKB-HHNLSAEISA-N 323.392 3.074 0 40 DGAB Cc1c(C(=O)NC[C@@H]2CCCO[C@H]2C(C)C)cnn1CC(C)C 163975952 FFDVCKRPJPMETC-RDJZCZTQSA-N 321.465 3.029 0 40 DGAB CCCSc1nnc(NC(=O)c2ccc(OC)cc2)s1 7321770 MWWRPLWTVMXBJP-UHFFFAOYSA-N 309.416 3.301 0 40 DGAB CC(C)N1CCC[C@H](c2ccnc(Nc3nccs3)n2)C1 643550644 LKHTZLDSMLYHRF-LBPRGKRZSA-N 303.435 3.265 0 40 DGAB CN(c1ccccn1)C1CCN(CCOc2ccccc2)CC1 1889128489 VATUHVSWTDYWCN-UHFFFAOYSA-N 311.429 3.061 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)[C@@H](C)n1cnc2ccccc21 31812001 SLGPDRHBLPROMX-ZIAGYGMSSA-N 323.396 3.483 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1cc(Br)ccc1F 575362279 DCKJINPHWJSJRZ-UHFFFAOYSA-N 303.127 3.113 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NCc1cc(-c2ccco2)on1 22768609 GBATXTOQGZXSFZ-UHFFFAOYSA-N 316.744 3.447 0 40 DGAB Cc1cc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)sc1C 30030790 ZASLFTSORFWKRW-INIZCTEOSA-N 314.454 3.494 0 40 DGAB Cc1cc(C)cc(NC(=O)N2CCN(Cc3ccco3)CC2)c1 40097779 FNRNLWYCFVEIJF-UHFFFAOYSA-N 313.401 3.246 0 40 DGAB O=C(CSCCOc1ccc(Cl)cc1)Nc1ccccn1 32059163 SIPZGRJQTUZWEX-UHFFFAOYSA-N 322.817 3.486 0 40 DGAB COc1ccc([C@@H]2O[C@H](C)CN(C(=O)c3ccccc3)O2)cc1 268757 ZLCKOEAWKZDBGT-FZKQIMNGSA-N 313.353 3.187 0 40 DGAB c1ccc(-c2cc(-c3nc4c5ccccc5ncn4n3)[nH]n2)cc1 32815325 ICMRMTJXXXLBQR-UHFFFAOYSA-N 312.336 3.335 0 40 DGAB O=C(NCCc1ccccc1)NCCc1c[nH]c2ccccc12 489376 FLWQPAMIYPWSPM-UHFFFAOYSA-N 307.397 3.252 0 40 DGAB biogenic Cc1ccc(-c2oncc2-c2nnnn2-c2ccccc2)cc1 164192 KMCOIMWJHQWADU-UHFFFAOYSA-N 303.325 3.293 0 40 DGAB COc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 2813742 GJCLPVZFTOXSHD-LMHVJCSRSA-N 317.772 3.050 0 40 DGAB COc1ccc(NC(=O)COc2c(C)cccc2C)c(OC)c1 3606736 YDKULEJTEBDQSK-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB Cc1ccc(Sc2nc3c(C)cccn3c(=O)c2C=O)cc1 53944034 DSCWLHIRQITVDR-UHFFFAOYSA-N 310.378 3.275 0 40 DGAB O=C(CCCOC(=O)c1ccc(O)cc1O)c1ccc(F)cc1 6080968 QVHFQFRRXPLCCI-UHFFFAOYSA-N 318.300 3.057 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cccnc2N2CCCC2)c1 23702332 SNNFPFVNPBFDLF-UHFFFAOYSA-N 309.369 3.137 0 40 DGAB O=C1C=C(Sc2nc3ccccc3o2)C(=O)N1c1ccccc1 8559822 BTJKGVCYOIIOTP-UHFFFAOYSA-N 322.345 3.377 0 40 DGAB CCOC(=O)c1sc2ccc(Br)cc2c1N 42784453 ZSXURGLQGDQIMX-UHFFFAOYSA-N 300.177 3.423 0 40 DGAB COc1ccc([C@@H]2CCCN2c2cc(Cl)nc(N)n2)cc1 24056517 VZVFALQASKWIAM-LBPRGKRZSA-N 304.781 3.062 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCC(Oc2ccccc2)CC1 55764488 HMOKVSWRTCFROU-UHFFFAOYSA-N 318.804 3.362 0 40 DGAB CN1c2ccccc2C(=O)N[C@H]1c1c[nH]nc1-c1cccs1 12520044 QPVGQTRVTRKNSO-OAHLLOKOSA-N 310.382 3.017 0 40 DGAB CC(C)(C)OC(=O)N1CC(CCOC(=O)[C@H]2C[C@H]3CC[C@H]2C3)C1 108393066 AFSPDZXXYXKHJC-QEJZJMRPSA-N 323.433 3.223 0 40 DGAB O=C1OCC[C@H]1NC[C@H](c1ccccc1)c1c[nH]c2ccccc12 58077411 RZLWCSRHOWDWRY-VQIMIIECSA-N 320.392 3.205 0 40 DGAB C/C=C/C=C/C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 58282075 TWTSBODZSOIZCH-XRCCYUMASA-N 306.356 3.040 0 40 DGAB Cc1cc(C(=O)NCc2nc(-c3cccs3)no2)c(C)s1 58357204 RSABNTDFBOVHFA-UHFFFAOYSA-N 319.411 3.406 0 40 DGAB O=C(NCc1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1 45030443 MFHVDBLSPHFFHS-KRWDZBQOSA-N 314.360 3.109 0 40 DGAB O=C(NCc1ccoc1)c1cc(C2CC2)nn1-c1ccccc1 45784023 WBLYOYXSHBNKQE-UHFFFAOYSA-N 307.353 3.273 0 40 DGAB CC(C)c1nc(CN(C)Cc2nc3ccccc3s2)no1 48313574 DUPGOZIHBVAVGW-UHFFFAOYSA-N 302.403 3.435 0 40 DGAB CCN(CC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)C1CC1 29913163 IAPOOYZVFFZAFV-AWEZNQCLSA-N 300.446 3.227 0 40 DGAB Cc1cc(CSCC(=O)Nc2ccc3c(c2)CCC3)no1 12915507 ILKJSPPOXUPVIW-UHFFFAOYSA-N 302.399 3.344 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(F)c(F)c1 12910765 DXYVHYYAYKZJIY-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1 4195763 XNCVQOJITLRVOT-UHFFFAOYSA-N 312.369 3.361 0 40 DGAB O=c1[nH]ncc(NCc2ccc(F)cc2C(F)(F)F)c1Cl 71185741 ZBDHVXSMJCIPOA-UHFFFAOYSA-N 321.661 3.193 0 40 DGAB COCCCn1c(-c2ccco2)nc2nc3ccccc3nc21 5151314 AISLORJLQLSDLA-UHFFFAOYSA-N 308.341 3.276 0 40 DGAB Cc1cc(C)c2nc(C(F)(F)F)nc(N3CCOCC3)c2c1 4313699 RQUXYIVXPKKEHA-UHFFFAOYSA-N 311.307 3.102 0 40 DGAB CCCCC[C@H](C)NC(=O)CCC(=O)NCc1cccs1 4599962 CPIDTSNQRWJNDG-ZDUSSCGKSA-N 310.463 3.230 0 40 DGAB O=C(O)CCCCCNC(=S)Nc1cccc(Cl)c1 4506748 FRLAKQGEMRXXHS-UHFFFAOYSA-N 300.811 3.271 0 40 DGAB Cc1nc(NC(=O)NCCCN(C)c2ccccc2F)oc1C 65817623 DKYDLMDPGULAFT-UHFFFAOYSA-N 320.368 3.079 0 40 DGAB COc1ccc(-n2nnc(C(=O)Nc3ccccc3C)c2C)cc1 4938443 SCVPGZDBVWXNRC-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB COc1ccc(C2=N/C(=C/c3ccsc3)C(=O)O2)cc1OC 96019476 AXPNRYICBPTGCF-KPKJPENVSA-N 315.350 3.110 0 40 DGAB O=C(Nc1ccccc1F)[C@H]1C[C@H]1c1ccc2c(c1)OCCO2 80345234 PUHLOODHUJZMOU-STQMWFEESA-N 313.328 3.339 0 40 DGAB COC(=O)c1sccc1NC(=O)Nc1ccc(OC)cc1 15934485 USCYISVHGLJBMO-UHFFFAOYSA-N 306.343 3.187 0 40 DGAB C[C@@H](NC(=O)c1cccc(CN2CCCC2=O)c1)c1ccccc1 7909497 JQPAOZNKGZHIQG-OAHLLOKOSA-N 322.408 3.300 0 40 DGAB CCOc1ncccc1C(=O)Nc1cc2c(cc1Cl)OCO2 16477031 LIJOPLDGNLYIRE-UHFFFAOYSA-N 320.732 3.115 0 40 DGAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccccc2C)cc1C 8240441 VULMYLWXBPZMIU-UHFFFAOYSA-N 324.424 3.000 0 40 DGAB O[C@@H](CSCc1nc(-c2ccoc2)no1)c1ccccc1 70016907 FZYBGIWWFMKIPT-ZDUSSCGKSA-N 302.355 3.296 0 40 DGAB C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccnc1 9742581 AEZUYWIMZYBFTJ-JTQLQIEISA-N 310.275 3.471 0 40 DGAB C[C@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(N)=O 8328822 ZEAPXWPXZGFANL-NSHDSACASA-N 324.409 3.339 0 40 DGAB CC(=O)c1cccc(N[C@@H](C)C(=O)NCCc2ccccc2)c1 69528140 TWOOQCOKHXIGJO-AWEZNQCLSA-N 310.397 3.049 0 40 DGAB Cc1cn2cc(NC(=O)NCc3nc(C)c(C)s3)ccc2n1 95403892 OTWIBEFKZJGECS-UHFFFAOYSA-N 315.402 3.038 0 40 DGAB O=C(NC[C@H](O)c1ccco1)c1cc2c(s1)CCCCC2 97260568 VRPYMDKFWHVOCW-LBPRGKRZSA-N 305.399 3.073 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)NCc2cc(Cl)ccc2OC)CCO1 97235877 DSRRZPUOKDNUKO-SMDDNHRTSA-N 311.809 3.170 0 40 DGAB C[C@H](Cc1cccc(Br)c1)NC1CCN(C)CC1 95419525 VWZLMFVLPZDYEH-GFCCVEGCSA-N 311.267 3.064 0 40 DGAB Cc1ncccc1C(=O)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984648 SMZNJEQOXCQLOD-HZPDHXFCSA-N 316.788 3.303 0 40 DGAB C[C@@H](CO[C@@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 95975166 POQKKXHVMWEZGH-CMPLNLGQSA-N 321.314 3.128 0 40 DGAB CCn1c(CNC[C@H]2CCCn3cc(C)nc32)nc2ccccc21 89305494 ZRPOASNAJMAYAD-OAHLLOKOSA-N 323.444 3.228 0 40 DGAB Cc1nc([C@H](C)NC(=O)c2ccc(-c3ccccc3)nc2C)no1 89537040 HPJDAAAOQIWUIZ-LBPRGKRZSA-N 322.368 3.239 0 40 DGAB CC(C)Sc1ccccc1NC(=O)CNC(=O)C(C)(C)C 89891039 UIXPMCMLMCXILT-UHFFFAOYSA-N 308.447 3.288 0 40 DGAB CCC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccco2)CC1 408707326 NCCBOYMAFCDQCF-UHFFFAOYSA-N 320.433 3.007 0 40 DGAB CC(=O)O[C@@H]1CCC2=C[C@H](OC2=O)c2c(C)coc2/C=C\1C 71325812 POZFTWCDGVFNCC-HYWXAPFVSA-N 302.326 3.241 0 40 DGAB biogenic,in-vitro CCSc1cccc(CN2CCOC[C@H]2c2nc(C)no2)c1 188479762 SDNYLCIZJZALTI-HNNXBMFYSA-N 319.430 3.064 0 40 DGAB CC(=O)N1CCC[C@@H](c2nc(C)cc(Cc3ccc(C)cc3)n2)C1 72360610 SIGUQUUOUVYOPF-GOSISDBHSA-N 323.440 3.410 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(OC)c(F)c1 30289283 SNJGDUXWHQTAQJ-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB O=C(c1cscn1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 72368618 VDXKDAYDTYKVEI-LLVKDONJSA-N 312.398 3.039 0 40 DGAB COC(=O)c1cc(NC(=O)Cc2ccc(F)cc2)ccc1Cl 31055093 FRTBHLALXQWDAQ-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCC[C@H](O)c1ccccc1 72242731 SLUGYFYQWOCABY-HNNXBMFYSA-N 319.788 3.202 0 40 DGAB Cc1ccncc1C(=O)c1ccccc1I 45029002 AYKCTNQUWQYHSK-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCc1nnc(CN[C@H]2CCCC[C@H]2Oc2ccccc2C)o1 195570299 XQRCHZITFCECNO-GOEBONIOSA-N 315.417 3.420 0 40 DGAB CC(C)(C)c1nc(SCC(N)=O)c2cc(Cl)ccc2n1 199408692 SMBWIEDCRIJAQN-UHFFFAOYSA-N 309.822 3.158 0 40 DGAB C[C@@H](c1ccccn1)N(C)CC(=O)N[C@H](C)c1cccs1 195546899 VJBYOBUVBPPTJD-OLZOCXBDSA-N 303.431 3.013 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2N[C@H](c1ccccc1)c1ccccn1 195553785 JMQNIDIKBXNMOO-ZWKOTPCHSA-N 319.412 3.196 0 40 DGAB C[C@@H](NCC1CCCC1)c1onc(-c2cccnc2)c1C(=O)O 96296908 YLKATGDZOZELDS-LLVKDONJSA-N 315.373 3.276 0 40 DGAB biogenic,in-vitro Fc1ccccc1CN1CCC(OC[C@@H]2CCCCO2)CC1 96455938 IHDICCHDPIYIBM-KRWDZBQOSA-N 307.409 3.376 0 40 DGAB CCOC1(c2nc(-c3ccc(C4OCCO4)o3)no2)CCCC1 585120237 AZMBTYALMKLVEV-UHFFFAOYSA-N 320.345 3.181 0 40 DGAB O=C(c1cncs1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 257341323 ZJWCGSMYVHGTDW-ZDUSSCGKSA-N 312.398 3.387 0 40 DGAB Cc1nccc(N2CCC[C@@](C)(c3ncn4ccsc34)C2)n1 257221292 DOIXQDXYSHXPKE-MRXNPFEDSA-N 313.430 3.052 0 40 DGAB COc1cccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c1 257283962 PARFMUJSPYEVLZ-BSDSXHPESA-N 303.402 3.220 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)no1 257278408 OCDJGTSQGBCHAS-HNNXBMFYSA-N 313.401 3.117 0 40 DGAB Cc1c(N)cc(I)cc1C(F)(F)F 575728411 DRJCQGBNVGYPLS-UHFFFAOYSA-N 301.049 3.201 0 40 DGAB c1csc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)c1 585103255 SJIDNWPLBBVIRK-OAHLLOKOSA-N 307.459 3.156 0 40 DGAB CC(C)c1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)nn1C(C)(C)C 44254752 XUDWHWOZEUSMID-STQMWFEESA-N 307.438 3.011 0 40 DGAB COc1ccc(NC(=O)CNc2c(F)cc(F)cc2F)cc1 72297731 KDWSBEUIPQBVEV-UHFFFAOYSA-N 310.275 3.163 0 40 DGAB C[C@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1Cl 89629070 AIFKPXZWDRLJIR-JTQLQIEISA-N 321.845 3.343 0 40 DGAB CCCOc1c(CC)c(C)nc2cc(C3CCOCC3)nn12 12233583 XMUGWOXVZOADFR-UHFFFAOYSA-N 303.406 3.283 0 40 DGAB CCC(CC)C(=O)Oc1cc(C)nn1-c1nc2ccccc2[nH]1 13639502 ZMRDXXKNAUJCCM-UHFFFAOYSA-N 312.373 3.399 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccccc1OC 13649267 CPGAXQUSGVQRQQ-OAHLLOKOSA-N 304.434 3.080 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2ccccc2OC)cc1F 17971000 MWXGPZZTZIHZSD-NSHDSACASA-N 303.333 3.334 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1COc2ccccc2C1=O 19083217 KWWGDGDZXZJWBV-ZIAGYGMSSA-N 317.385 3.277 0 40 DGAB C[C@H]1CN(c2nc(-c3ccccn3)cc3ncccc23)C[C@@H](C)O1 19497614 KWWHUARTWMWXLZ-OKILXGFUSA-N 320.396 3.305 0 40 DGAB CCOc1ccccc1NC(=O)c1ncn(-c2ccc(C)cc2)n1 19910579 GVRIAGGXJVZFDS-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB CSc1ccccc1S(=O)(=O)N(C)[C@@H](C)c1ccccn1 187085615 JEKFBVFQZYLDBL-LBPRGKRZSA-N 322.455 3.185 0 40 DGAB CCCCOC(=O)COc1cc2oc(=O)cc(C)c2cc1Cl 2311302 VFWMWQCSHLSPAU-UHFFFAOYSA-N 324.760 3.477 0 40 DGAB biogenic CC(C)n1nccc1NC(=O)[C@@H](C)N1CCCc2ccccc21 23991010 YBTOMQBZHHURMW-CQSZACIVSA-N 312.417 3.244 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)COc1ccccc1 41395961 UMKGXACITCSPCF-UHFFFAOYSA-N 324.174 3.080 0 40 DGAB Cc1cnc([C@H]2CCN(C(=O)c3c(C)n(C)c4ccccc34)C2)[nH]1 2037677817 LLSMJNZQDNZZQL-AWEZNQCLSA-N 322.412 3.148 0 40 DGAB O=S(=O)(NCc1ccc(Cl)cc1)c1cc(F)cc(F)c1 10449465 KFCSABFRHYKZEC-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB CCCCCC[C@H](C)NC(=O)CCNC(=O)c1ccccc1 10473914 MFKMZSUBFRQZOA-HNNXBMFYSA-N 304.434 3.282 0 40 DGAB O=C(CCCOc1ccccc1)NCCSC(F)(F)F 40119027 YJZPFQFLNFAIHD-UHFFFAOYSA-N 307.337 3.215 0 40 DGAB Cn1cc(C(=O)Nc2ccc(-c3nc4ccccc4[nH]3)cc2)cn1 30673002 TZBXUAXHAXHGPN-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB CCc1c(C(=O)NOCc2ccccc2)cnn1-c1ccccc1 30856996 LDVWFWAGLCUPPZ-UHFFFAOYSA-N 321.380 3.296 0 40 DGAB CN(C)Cn1cc(CCCC(=O)N2CCCC2)c2ccccc21 20649329 OZLSRIVVIOTVRY-UHFFFAOYSA-N 313.445 3.106 0 40 DGAB CCOC(=O)[C@@H](C)Oc1ccc(C(=O)NC2CCCCC2)cc1 145845 CAHKVOPPLSTLNH-CYBMUJFWSA-N 319.401 3.080 0 40 DGAB Cc1ccccc1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 347108 HSZFGKYFERPXMG-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB O=C(NC1=NCCS1)c1ccc(-c2ccc(Cl)cc2)o1 513831 OFLJDKFQDPUHJG-UHFFFAOYSA-N 306.774 3.433 0 40 DGAB Cc1cccn2cc(CNC(=O)c3c(F)cccc3Cl)nc12 2960806 YXAFCDWXURQMSV-UHFFFAOYSA-N 317.751 3.365 0 40 DGAB COc1ccc(CNC(=O)CSC2CCCCC2)cc1OC 3451324 HPBYYOZPACCPFG-UHFFFAOYSA-N 323.458 3.386 0 40 DGAB CCOC(=O)CSc1nc2ccc(NC(=O)CC)cc2s1 4501843 GPUGKCWUAGVKBL-UHFFFAOYSA-N 324.427 3.300 0 40 DGAB COC(=O)CC12CC3(C)CC(C)(C1)CC(CC(=O)OC)(C3)C2 5412136 FEMRSVUPDZMTRG-UHFFFAOYSA-N 308.418 3.479 0 40 DGAB Cc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1F 5457156 AHWOVCNEIOVCNZ-UHFFFAOYSA-N 316.361 3.136 0 40 DGAB O=c1[nH]c(-c2ccccc2)nc2ccc(Br)cc12 5646874 NXSZVAPNPHKIKA-UHFFFAOYSA-N 301.143 3.353 0 40 DGAB Cc1cc(S(=O)(=O)n2cnc3ccccc32)ccc1Cl 5925428 BSUYLURVTLQNOQ-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB COc1ccc([S@](C)=NS(=O)(=O)c2ccc(C)cc2)cc1 6022329 QTLHCQCALCEXFJ-HXUWFJFHSA-N 323.439 3.183 0 40 DGAB COc1cc(SC)ccc1C(=O)NCc1ccccc1F 6260750 BJICRAVTCWBQIT-UHFFFAOYSA-N 305.374 3.486 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCCOc2cccc(C)c2)cc1 6347546 AMNTWVUWFJMUOG-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cc2cccc(F)c2)cc1 6882289 BLUJXCSXDRGGEV-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB COC(=O)[C@@H](C)Sc1nnc(Nc2cccc(C)c2)s1 8091126 JIPXFKPSJRJAFL-SECBINFHSA-N 309.416 3.244 0 40 DGAB Cc1cccc(OCc2nc(C)c(C(=O)NC3CC3)s2)c1 8844230 XCVHYRFZPKGILN-UHFFFAOYSA-N 302.399 3.231 0 40 DGAB COc1ccc(-c2nnc(NC(=O)C3CCCCC3)o2)cc1 9471854 BTJIVCMKROYYFT-UHFFFAOYSA-N 301.346 3.264 0 40 DGAB O=C(CCCc1nc(-c2ccco2)no1)Nc1ccc(F)cc1 9699774 PWYKKVSNAHBUQA-UHFFFAOYSA-N 315.304 3.430 0 40 DGAB C[C@H]1C[C@H](Sc2nc(NC3CC3)c3ccccc3n2)C(=O)O1 9739970 WRTFTNWUKZUECV-ZANVPECISA-N 315.398 3.000 0 40 DGAB CCCCc1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 10040825 ITDLWGCIAJSCIY-UHFFFAOYSA-N 321.402 3.150 0 40 DGAB O=C(NCc1ccccc1Cn1cccn1)c1ccccc1F 10234917 WJWWNQBIFBIXCM-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB C[C@H](NC(=O)N1CCc2ccccc2C1)c1ccc2c(c1)OCO2 10358760 SLLRIWUUBLCZKX-ZDUSSCGKSA-N 324.380 3.244 0 40 DGAB C[C@H]1CCc2nc(NC(=O)COc3ccc(F)cc3)sc2C1 11428431 ZTEJLFCLRAHEQM-JTQLQIEISA-N 320.389 3.425 0 40 DGAB Cc1ccccc1NC(=O)[C@H](C)Sc1nc(C2CC2)n[nH]1 11473133 GCCCWUCESBRCBL-JTQLQIEISA-N 302.403 3.110 0 40 DGAB Cc1cccc(NC(=O)COCc2nc3ccccc3s2)n1 12553743 UREJEWNENCKWOR-UHFFFAOYSA-N 313.382 3.155 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](Cc1cccc(Cl)c1)C(=O)O 12648643 GCTKONJNNXRNQF-LLVKDONJSA-N 313.781 3.108 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1snc2c(O)ncnc12 13564144 KYHZKTSANDKEQO-UHFFFAOYSA-N 320.761 3.006 0 40 DGAB O=C(OCc1nnsc1Cl)c1ccc2ccccc2c1O 14199315 AERABGJNXRFFIS-UHFFFAOYSA-N 320.757 3.407 0 40 DGAB COc1ccccc1OCC(=O)Nc1cccc2cccnc12 14517833 GVFMGWFHSSKRLT-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB CC(C)=CCC/C(C)=C/CC[C@@H](C)NCCN1CCNCC1 19939582 UDVLXVKLNWJVCX-MMWCCMKASA-N 307.526 3.343 0 40 DGAB CCC[C@@H](O)c1cc2c(cc1NC(=O)c1ccco1)OCCO2 20096429 HKJTVNCSQQXADZ-CYBMUJFWSA-N 317.341 3.137 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1occc1-c1ccccc1 22624144 DWRYHOHWIQVHBR-UHFFFAOYSA-N 319.320 3.369 0 40 DGAB CCONC(=O)COc1ccc(C2SCCCS2)cc1 22874890 MJNKHOLLKKIZNH-UHFFFAOYSA-N 313.444 3.002 0 40 DGAB COc1ccccc1N1CCN(c2ncccc2Cl)CC1 24602321 SQQHGBHMOGUHHH-UHFFFAOYSA-N 303.793 3.070 0 40 DGAB CSc1ncc(C(=O)NCC2CCC2)n1-c1ccccc1 31439220 QPGOYLOWXUWRJX-UHFFFAOYSA-N 301.415 3.124 0 40 DGAB O=C(NCc1ccc(Cl)s1)c1cccnc1N1CCCC1 40071030 VFOZWCVZXIMJJY-UHFFFAOYSA-N 321.833 3.327 0 40 DGAB COc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1 44080889 SNQMKPHISYDYHJ-CQSZACIVSA-N 321.490 3.104 0 40 DGAB CCNC(=O)c1c(C)nn(Cc2ccccc2Cl)c1Cl 45165078 DBESKMQVSWYAGF-UHFFFAOYSA-N 312.200 3.296 0 40 DGAB C[C@H]1CCCN(C(=O)c2cc(Br)cnc2Cl)C1 50044078 YUSDIEAMVTZYSQ-QMMMGPOBSA-N 317.614 3.370 0 40 DGAB COCc1ccccc1C(=O)NCc1ncc(-c2ccccc2)[nH]1 51411395 UJQAHCKLZSYRPZ-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB COc1cc(CN[C@H](C)c2sc(C)nc2C)cc2c1OCO2 55173254 OAXRBSXHCHAEOG-SECBINFHSA-N 320.414 3.348 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2Cn2cccn2)s1 57046462 DPETZHWVVGZLQX-UHFFFAOYSA-N 311.410 3.483 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)c3ccco3)cc2)C[C@@H](C)O1 58193282 MYQJQNCIKNFVEP-BETUJISGSA-N 300.358 3.146 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@@H]2c2ccncc2)cc1F 58296066 ZMVGZOLDPHBOLP-MRXNPFEDSA-N 313.376 3.264 0 40 DGAB Cc1cc(C)c2c(c1)[C@@H](NC(=O)c1c(C)noc1C)CCO2 58358194 VORXTGIWAAXEFX-AWEZNQCLSA-N 300.358 3.162 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)N1CCCCCC1 58896190 ANJXJIWTFNCAJT-UHFFFAOYSA-N 303.362 3.051 0 40 DGAB O=C(Nc1cnoc1)c1cc(Br)ccc1Cl 60393526 ONNKEYWWYVXQGH-UHFFFAOYSA-N 301.527 3.343 0 40 DGAB CN(Cc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCO1 64360153 FKOVSKFDQGPTEH-GOSISDBHSA-N 310.397 3.441 0 40 DGAB Cc1ccc(NC(=O)N2CCC(c3noc(C)n3)CC2)cc1 69218929 CKEBCFNRCRIXFC-UHFFFAOYSA-N 300.362 3.098 0 40 DGAB CCCN1CCC[C@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 69527576 UHFWOXOCVDFNNR-KRWDZBQOSA-N 319.424 3.239 0 40 DGAB COc1ccccc1C(=O)NC[C@@H](O)c1cccc2ccccc12 70635956 BVGBEXIHUCUFFV-GOSISDBHSA-N 321.376 3.312 0 40 DGAB CC(=O)Nc1cccc(COC(=O)[C@@H](C)OC2CCCC2)c1 71905427 WRPUGJOSLGAQHW-GFCCVEGCSA-N 305.374 3.036 0 40 DGAB COc1cccc(N2CC[C@@H](CNCc3ccc(C)o3)C2)c1 71924604 RBAWGJWIWNCYJY-HNNXBMFYSA-N 300.402 3.213 0 40 DGAB C/C(=C\c1ccccc1)CN1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2 71928193 FTNSPZRWTDMPET-MYSLGKHLSA-N 320.436 3.371 0 40 DGAB CC(C)N1CC[C@@H](c2c(C(=O)N(C)C)sc3ncccc23)C1 72352559 WVOFRTHJJPNJRE-GFCCVEGCSA-N 317.458 3.196 0 40 DGAB Fc1ccc(CN2CCC[C@@H]2c2cncc(-n3ccnc3)n2)cc1 72378647 ADTPQXILKPSZKF-QGZVFWFLSA-N 323.375 3.139 0 40 DGAB O=C(NC[C@H]1CCC[C@H]1O)Nc1cccc(-c2nccs2)c1 76069673 IGFQICJEKGDUNN-TZMCWYRMSA-N 317.414 3.093 0 40 DGAB COC[C@H](NC(=O)NCc1cccc(Cl)c1)c1ccco1 76093904 RQSBKQWFYDFCCO-ZDUSSCGKSA-N 308.765 3.120 0 40 DGAB Cc1nc(C(C)(C)NS(=O)(=O)c2cccs2)sc1C 76853086 QDLQCCYLJUFZKA-UHFFFAOYSA-N 316.473 3.035 0 40 DGAB CC[C@H](C(=O)NCC[C@@H](O)c1cccs1)c1ccccc1 77113524 QHBOMKFQRHSROC-LSDHHAIUSA-N 303.427 3.482 0 40 DGAB CCO[C@H](CCN(C)C)CNC(=O)Nc1ccc(C(C)C)cc1 79059266 VUSKEYRYXIKBMB-QGZVFWFLSA-N 321.465 3.288 0 40 DGAB Cc1ccc2c(c1)N(Cc1cccc(C(=O)N(C)C)c1)C[C@@H](C)O2 81571480 SJHQHSVKCJTIBC-OAHLLOKOSA-N 324.424 3.484 0 40 DGAB Cc1ccc(C(=O)N2CC3(CCCC3)c3ccccc32)c(=O)[nH]1 81578254 YGRVPCCHUBEHID-UHFFFAOYSA-N 308.381 3.156 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 84811828 SAMHZNHMEZRASU-BFHYXJOUSA-N 322.478 3.321 0 40 DGAB O=C(Cn1ccnc1)N[C@H](c1ccccc1F)C1CCCC1 88349074 XGIWLPRRQUIUIC-KRWDZBQOSA-N 301.365 3.070 0 40 DGAB COCc1nc(C)cc(N2CCCC[C@H]2CCOC(C)C)n1 88736979 HLVIGFXYUAJHKF-HNNXBMFYSA-N 307.438 3.105 0 40 DGAB COC(=O)[C@@H]1CCN(C(=O)c2ccsc2)c2ccccc21 89228608 SEYWVSYHJAYHIF-CYBMUJFWSA-N 301.367 3.055 0 40 DGAB Cc1ccoc1C(=O)NC[C@@H](O)c1cc2ccccc2s1 89701959 VHBGBFBEFXZVCW-GFCCVEGCSA-N 301.367 3.266 0 40 DGAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)N(Cc1cccs1)C1CC1 95401097 PZOJLDOGYCDWJY-KFWWJZLASA-N 320.458 3.236 0 40 DGAB C[C@H](NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1cnn(C)c1 95436057 WHKMWOHGIWMRFB-BBRMVZONSA-N 315.417 3.154 0 40 DGAB C[C@@H]1C[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCO1 95988676 QXISRXVSBUBJAN-OLZOCXBDSA-N 317.385 3.482 0 40 DGAB O=C(N[C@@H]1CCCc2c1[nH]c1ccccc21)c1n[nH]c2c1CCC2 96231388 JWMDTXZRLPLYIO-MRXNPFEDSA-N 320.396 3.187 0 40 DGAB CN(CC(F)F)C(=O)/C=C/c1csc(Br)c1 96407230 BCBKXWMTWJGRGX-NSCUHMNNSA-N 310.163 3.247 0 40 DGAB O=C([C@H]1C[C@H]1c1cccnc1)N(Cc1ccccc1)CC(F)F 96432658 NQYWOHKZKLMKSD-HOTGVXAUSA-N 316.351 3.479 0 40 DGAB Cc1nc([C@@H](C)NC(=O)N[C@H](C)CCc2cccn2C)cs1 96440014 KGAMYWLMIVXDLD-VXGBXAGGSA-N 320.462 3.172 0 40 DGAB CCCn1c(C)nnc1CNC(C)(C)c1ccc(F)c(F)c1 97033607 VKPLTWQIWIYVDI-UHFFFAOYSA-N 308.376 3.300 0 40 DGAB Fc1cccc2[nH]c(COc3nnc(-c4ccccc4)o3)nc12 97046746 ZNBMMVRFIZQKGL-UHFFFAOYSA-N 310.288 3.331 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@@H](c3ccccc3F)C2)n1 97142691 JHKYLDKZXMXECY-OAHLLOKOSA-N 315.348 3.135 0 40 DGAB CC1(C)[C@]2(C(N)=O)CC[C@@]1(C)/C(=N/OC(=O)c1ccccc1Br)C2 97372530 VLYIBGRVJRFPIQ-WPCRTTGESA-N 393.281 3.664 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccccc2C)C1=O 101275651 DQXDWOXRBXFWHL-INIZCTEOSA-N 308.381 3.301 0 40 DGAB CN1Cc2cnn(CC3CCCC3)c2[C@H](COCC2CC2)C1 105134925 RQPYPJAUMAPCDD-KRWDZBQOSA-N 303.450 3.029 0 40 DGAB C[C@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@@H]1CCCC[C@@H]1C 110493160 XFAYCURSJBVIJG-YETSSQPJSA-N 321.442 3.388 0 40 DGAB Cc1cc2ncc(NC(=O)NCc3ccc(Cl)cc3)cn2n1 206740244 IVEHJRKSKCWXEQ-UHFFFAOYSA-N 315.764 3.013 0 40 DGAB S=C1N[C@@H](c2ccccn2)[C@H](c2ccc[nH]2)N1Cc1ccco1 223331943 UKAZIRUWYZHBRJ-HOTGVXAUSA-N 324.409 3.175 0 40 DGAB Cc1ccnc(NC(=O)[C@H](C)N2C(=O)CCCc3ccccc32)c1 227169041 IMRRGEYOIONOOY-AWEZNQCLSA-N 323.396 3.087 0 40 DGAB C[C@H](O)[C@@H](C)S[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 245339048 QEPFZDCMFJIAID-RWEMILLDSA-N 317.813 3.087 0 40 DGAB CC(=O)N1CCC[C@H](Cc2ccnc(-c3ncc(C)s3)c2)C1 257276583 NUJMGHBLRITERH-OAHLLOKOSA-N 315.442 3.315 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cccc3cccnc23)n1 257315601 VCCIWJIUUJUDOD-HNNXBMFYSA-N 306.369 3.244 0 40 DGAB CC(=O)NCc1ccc([C@H]2CCCN2Cc2ccccc2C)nc1 257324367 WOJZLCIQQZGACZ-HXUWFJFHSA-N 323.440 3.363 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@H](Cc4ccn[nH]4)C3)cc2c1 257335734 YLOSEGZUOZPHBQ-CQSZACIVSA-N 324.428 3.354 0 40 DGAB O=C(Nc1cc2nc(O)[nH]c2cc1N1CCCC1)c1ccccc1 408526865 DGWUURAGSMHTFL-UHFFFAOYSA-N 322.368 3.121 0 40 DGAB Fc1ccc(C2(CNc3ncnc4c3CCC4)CC2)c(F)c1 534148295 RBEAPGAFZPDLQN-UHFFFAOYSA-N 301.340 3.387 0 40 DGAB C[C@H](CNC(=O)N1CCOCC2(CCC2)C1)c1ccc(F)cc1 546113977 VZICZIPALQQNHL-CQSZACIVSA-N 320.408 3.141 0 40 DGAB Cc1cc(-c2nc([C@@H]3CCO[C@@H](C)C3)no2)c2c(C)noc2n1 547219756 IVHXPDAIMWFIED-GXSJLCMTSA-N 314.345 3.172 0 40 DGAB CCCO[C@H]1CCCN(Cc2ccc(C(=O)O)cc2F)CC1 565103957 MOJXCVKKOTYHMO-HNNXBMFYSA-N 309.381 3.305 0 40 DGAB CCOC(=O)C[C@H](n1cc(C)c(C(F)(F)F)n1)C(F)(F)F 685936643 MZTKLANLOXJQCO-ZETCQYMHSA-N 318.217 3.267 0 40 DGAB COC(=O)c1nc(-c2ccc(C)cc2)oc1N1CCCCC1 83890 NKRFJXNOWXEPRP-UHFFFAOYSA-N 300.358 3.427 0 40 DGAB Cc1cnc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)s1 8776391 HBIZMWPRGNIXPY-UHFFFAOYSA-N 310.762 3.128 0 40 DGAB O=C1NC(=O)c2ccc(NCc3ccccc3)c3cccc1c23 3148707 RRHKWGIJVFQZCQ-UHFFFAOYSA-N 302.333 3.336 0 40 DGAB COc1cc(OC)cc(C(=O)NCc2cccc(Cl)c2)c1 3563941 SWXWYMXGDNQACW-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1ccc(C(=O)CSc2nnnn2C2CCCC2)cc1C 4968007 QORWTKJAWPLGSK-UHFFFAOYSA-N 316.430 3.380 0 40 DGAB C[C@@H]1CC(=O)c2cn3nc(-c4ccc(Cl)cc4)nc3nc2C1 4992908 MYVWWGGHSMUTGH-VIFPVBQESA-N 312.760 3.210 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1ccccc1F 23545248 MODUZHQZMAGVQS-NSHDSACASA-N 312.344 3.201 0 40 DGAB CN(c1ccc(N2CCCC2)cc1)S(=O)(=O)c1ccccc1 10113758 HHRCUAKUSAQHGX-UHFFFAOYSA-N 316.426 3.112 0 40 DGAB O=C(c1cc(F)cc(F)c1)c1cccc(CN2CCOCC2)c1 43211044 GHOKJTRHTNAGPJ-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB O=C(Nc1ccc(-c2nc3ncccc3o2)cc1)C(F)(F)F 57316741 WIVASQKAYXYUOQ-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB COc1ccc(C(=O)NCCCn2ccc3ccccc32)cc1 12556261 XAFUPBXUNDJMLO-UHFFFAOYSA-N 308.381 3.470 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 9232585 VWAVEBNYRRJDER-HNNXBMFYSA-N 310.397 3.162 0 40 DGAB CN1CCCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1 3256354 MJKAPGJXBQCVJI-UHFFFAOYSA-N 310.397 3.257 0 40 DGAB Cc1cc(N)n(-c2ncnc3sc(-c4ccccc4)cc23)n1 3279671 BORSGVAYIISWLD-UHFFFAOYSA-N 307.382 3.435 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1cc(-c2cccnc2)on1 35478234 IQMHEBDRTGSEDD-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1ccccc1F 26885478 DWOUQGRZUUNSCK-CQSZACIVSA-N 315.373 3.140 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc2ccccc2n1 48235934 IZJBHEGEBDCIMO-KPZWWZAWSA-N 320.348 3.402 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCCC[C@@H]3C)c12 27984925 KDSKQDKLUAVVJA-NSHDSACASA-N 312.417 3.169 0 40 DGAB COc1ccc(C(=O)[C@@H](CCCO)[C@@H]2CCOC(C)(C)C2)cc1 2139295 CFFPLOUXQRJWDM-WBVHZDCISA-N 320.429 3.472 0 40 DGAB biogenic Cc1ccn2cc(C(=O)NCC3(c4ccccc4)CCC3)nc2c1 10323018 GADKTXIHQMNJDF-UHFFFAOYSA-N 319.408 3.494 0 40 DGAB CN(CCOc1ccc(Cl)cc1)C(=O)c1cc(C2CC2)on1 58377919 ZGCHDRSRUNKUCH-UHFFFAOYSA-N 320.776 3.356 0 40 DGAB COCCNC(=O)C12C[C@H]3C[C@H](C1)CC(c1ccccc1)(C3)C2 100970434 SNSYKZCMGKQVPO-MVYVIFSASA-N 313.441 3.287 0 40 DGAB CN(C(=O)Nc1ccc(F)cc1F)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 71916408 PUEVVQRYCXLDJL-HONMWMINSA-N 310.344 3.242 0 40 DGAB CC(C)Cc1nnc(NC(=O)c2noc3c2CCCCC3)s1 36359466 ZVKRGGBJYXWYJQ-UHFFFAOYSA-N 320.418 3.246 0 40 DGAB Cc1ccccc1CCNC(=O)NCCSC(F)(F)F 59834501 PCENYQIQCIQDLZ-UHFFFAOYSA-N 306.353 3.090 0 40 DGAB Cc1ccsc1C(=O)N1CCn2c(-c3ccco3)cnc2C1 306126173 DOVKBYFRFREIFM-UHFFFAOYSA-N 313.382 3.169 0 40 DGAB O=C(OCc1nnc(-c2ccccc2)o1)c1cccnc1Cl 2642858 MJYFVVXEEBEVJK-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)NC1CCCCCC1 2660812 CXELBZZTQLFTIX-UHFFFAOYSA-N 322.836 3.299 0 40 DGAB O=C1N[C@@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1F 3600549 WPNZXTYAGJUYQV-LJQANCHMSA-N 324.355 3.109 0 40 DGAB CCc1ccc(S(=O)(=O)N2c3ccccc3C[C@H]2C)cc1 5262278 INOWCEUHYFDISI-CYBMUJFWSA-N 301.411 3.389 0 40 DGAB Oc1ccccc1-c1nc2c3cc(F)ccc3nc(S)n2n1 71279179 KPYDSCGGLQUEHG-UHFFFAOYSA-N 312.329 3.078 0 40 DGAB CCO[C@@H](C)C(=O)Nc1ccc(-c2noc(C(C)(C)C)n2)cc1 65576197 VBQHHLCEFZREIN-NSHDSACASA-N 317.389 3.398 0 40 DGAB Cc1ccc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)nc1 9154411 AUOILHGVGJPWQN-UHFFFAOYSA-N 308.341 3.364 0 40 DGAB CN(CC(=O)NCc1ccccc1)Cc1ccc(Cl)cc1 6639007 YIUFLEKBPOFGRI-UHFFFAOYSA-N 302.805 3.088 0 40 DGAB COc1ccccc1CN(C)CC(=O)N[C@@H](C)c1cccs1 15296316 LWOHDRKJXASLRZ-ZDUSSCGKSA-N 318.442 3.066 0 40 DGAB CSCC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 7688613 UMFRZDDBAYSFAP-UHFFFAOYSA-N 300.355 3.390 0 40 DGAB C[C@H](NC[C@@H]1CCC[C@@H]1O)c1nc2cc(Cl)ccc2n1C 91349002 FBGVKAKTBFMQSU-PGUXBMHVSA-N 307.825 3.038 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1F 8259593 VYLLQUQORZIXOW-ZDUSSCGKSA-N 315.344 3.168 0 40 DGAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CCCO2)C1 70021664 VBEDUKLLHPWQQM-CVEARBPZSA-N 319.449 3.129 0 40 DGAB Cc1nn(C)c(N(C)C)c1CNCc1cc2ccccc2s1 69390204 QHGYWPLREOAUPO-UHFFFAOYSA-N 314.458 3.299 0 40 DGAB CC(C)NC(=O)N1CCC(c2nc(-c3ccccc3)no2)CC1 69667053 YDMVJQOBWUJTNU-UHFFFAOYSA-N 314.389 3.034 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2Cn2cccn2)oc2ccccc12 69771210 FGBNQAIPWNMWPM-CQSZACIVSA-N 309.369 3.243 0 40 DGAB CC(C)c1nnc2n1CCN(Cc1ncc(-c3ccccc3)o1)C2 69925550 JPMKCHIRPXOPIV-UHFFFAOYSA-N 323.400 3.072 0 40 DGAB O=C(CCc1ccc(F)cc1)N1CCCC[C@H]1Cn1cccn1 69971471 WMFJNFUWQIIHJS-KRWDZBQOSA-N 315.392 3.036 0 40 DGAB CCOCC(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086535 LYWMKEUFVGWGGZ-LBPRGKRZSA-N 301.308 3.058 0 40 DGAB CCc1ccccc1[C@@H]1CCN(C(=O)OC(C)(C)C)[C@H]1C(=O)O 72233720 BUFROQVSBNIRJD-LSDHHAIUSA-N 319.401 3.427 0 40 DGAB c1csc(-c2n[nH]cc2CNCc2cn3ccsc3n2)c1 97160106 QEUOWUSBAGMKRB-UHFFFAOYSA-N 315.427 3.137 0 40 DGAB Cc1n[nH]c(C)c1CNC[C@@H](c1ccccc1Cl)N(C)C 97159339 ZOLXORFQQYKNGT-INIZCTEOSA-N 306.841 3.072 0 40 DGAB CC(C)c1nc(C(=O)N2CCCC[C@@H]2c2nccs2)c[nH]1 72300355 DGQCIRLVVHLUHQ-GFCCVEGCSA-N 304.419 3.357 0 40 DGAB Cc1ccc(-c2cc(C(=O)OCCCn3ccnc3C)n[nH]2)cc1 95448045 JNUGSYUQRLOZPU-UHFFFAOYSA-N 324.384 3.137 0 40 DGAB O=C(Cc1cccs1)Nc1cccn(Cc2ccccc2)c1=O 88267738 UGTDIXOAEAYQTG-UHFFFAOYSA-N 324.405 3.139 0 40 DGAB O=C(Cn1ccnc1)N[C@@H](c1ccccc1F)C1CCCC1 88349073 XGIWLPRRQUIUIC-QGZVFWFLSA-N 301.365 3.070 0 40 DGAB CC(C)(C(=O)NOCc1cccc(F)c1F)c1ccccc1 95954804 PRGFLUODUFQYHA-UHFFFAOYSA-N 305.324 3.490 0 40 DGAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)c1c(O)cc(F)cc1F 89334857 MJDKENQONKKWCS-CMPLNLGQSA-N 301.358 3.027 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)n1)[C@H]1Cc2ccccc2O1 75126759 MMOIDJAXRCFHFG-LLVKDONJSA-N 308.259 3.043 0 40 DGAB O=C(NCCn1ccnc1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 89768386 FARGBIAXWQIFOO-STQMWFEESA-N 324.211 3.110 0 40 DGAB FC(F)(F)c1ccc2oc(CN3CCSCC3)nc2c1 89800397 AKOAUAAZCDOKMH-UHFFFAOYSA-N 302.321 3.395 0 40 DGAB CC(=O)N1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@H](C)C1 89937485 IRLXNXHHBBZRNB-ABAIWWIYSA-N 314.351 3.052 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N(CC(F)F)C2CC2)cc1F 75606866 SCAWQYCJMLKVLU-SECBINFHSA-N 316.323 3.334 0 40 DGAB O=C(C1CC1)N1CCC2(CC1)Nc1ccccc1-n1cccc12 64848217 OGZTWBNJJBGKHZ-UHFFFAOYSA-N 307.397 3.131 0 40 DGAB Nc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)c(Cl)c1 30714917 HSBDUZZBMLMSRD-UHFFFAOYSA-N 311.732 3.311 0 40 DGAB C[C@H]1CN(C(=O)c2ccc3c(c2)CCO3)c2ccc(F)cc2O1 525677566 IBZZHBWZMALIBD-NSHDSACASA-N 313.328 3.188 0 40 DGAB Cc1cc(C)nc([C@@H]2CCN(C(=O)CCc3ccccc3)C2)n1 72369645 UVMSGGDBFBWZAI-QGZVFWFLSA-N 309.413 3.042 0 40 DGAB CN(CCC1CCOCC1)Cc1c(C(=O)O)oc2ccccc12 563630160 KJUAAFZRENRRCI-UHFFFAOYSA-N 317.385 3.380 0 40 DGAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccccc1 72228943 KFSLEIYZKPAOBK-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB COc1cccc([C@@H]2CCCN2Cc2ccoc2C(=O)O)c1 568059799 LIPYIDXXRYSFGB-HNNXBMFYSA-N 301.342 3.324 0 40 DGAB COc1ccc(O[C@H](Cc2cccc(C)c2C)C(=O)O)cc1 225023327 XOMYOHLYNMHXHE-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1 225886665 VLPDJAQDXDPSET-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB CN(C)CCCNC(=S)Nc1ccc(OC2CCCC2)cc1 44665526 XPWCIYBAGIDSKI-UHFFFAOYSA-N 321.490 3.246 0 40 DGAB CN1CCC[C@@H]1[C@H](O)c1c[nH]c2ccc(Br)cc12 88283114 HTOSGRDNJROXTF-ZIAGYGMSSA-N 309.207 3.058 0 40 DGAB COCCCNC(=O)CSCc1ccc(Cl)c(Cl)c1 44900920 JRNKKZCHQIJFSW-UHFFFAOYSA-N 322.257 3.379 0 40 DGAB O=C(O)C[C@@H](NC(=S)Nc1ccccc1)c1ccc(F)cc1 225232168 JULMGOHWKLZHJA-CQSZACIVSA-N 318.373 3.328 0 40 DGAB CN(C(=O)Cn1cccn1)C1c2ccccc2-c2ccccc21 96448316 JIHYKWOUZIYHJX-UHFFFAOYSA-N 303.365 3.112 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNCc1cccc(CS(C)(=O)=O)c1 97098606 XZLQSDKYVUYQRP-MAUKXSAKSA-N 321.486 3.313 0 40 DGAB O=C(Cc1ccccn1)N1CCC2(CCc3ccccc32)CC1 96161183 KVZSTGHXSMJWBA-UHFFFAOYSA-N 306.409 3.131 0 40 DGAB Nc1cccc(-c2cc(C(F)(F)F)cnc2N2CCOCC2)c1 95082476 IBYWYIMJFLGUMG-UHFFFAOYSA-N 323.318 3.186 0 40 DGAB Cc1cccc(NC(=O)Cc2nc(-c3cnn(C)c3)cs2)c1 96421295 WOXXSKMIMIAOIW-UHFFFAOYSA-N 312.398 3.033 0 40 DGAB Fc1ccc(-c2ncnc3c2CCN(Cc2ccoc2)CC3)cc1 96058698 AAPMYTCEJIZJFK-UHFFFAOYSA-N 323.371 3.477 0 40 DGAB CS(C)(=O)=Nc1cccc(NC(=O)CCc2ccncc2)c1 585091036 NBPQPQBMQHXTNZ-UHFFFAOYSA-N 317.414 3.012 0 40 DGAB CC(C)C[C@H](NC(=O)[C@@H]1CO[C@@H](C)C1)c1nc2ccccc2[nH]1 252553297 VJIOLNXBWILUGP-XEZPLFJOSA-N 315.417 3.191 0 40 DGAB COc1ccc(NC(=O)[C@@H]2CN(C)C[C@H]2c2ccccc2)c(C)c1 252515855 OEHIHDXWQHCODQ-ZWKOTPCHSA-N 324.424 3.288 0 40 DGAB Cc1cc(C)cc(N2C(=O)N(C)c3ccccc3S2(=O)=O)c1 33272074 UPXVQTXQAFLARB-UHFFFAOYSA-N 316.382 3.069 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1cccc(Br)c1Cl 1083806355 LVWQYHDNLUKZKA-ZANVPECISA-N 318.642 3.006 0 40 DGAB Fc1cc(Br)cc(NCc2cn3cccnc3n2)c1 95966780 LNROUZFIEUDSGG-UHFFFAOYSA-N 321.153 3.243 0 40 DGAB Cc1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1C 5392693 OQWJPBAEHNZEFM-UHFFFAOYSA-N 302.808 3.214 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCc2nc(N3CCCCC3)ncc21 12219830 QEAHBAGBQYXTKZ-CQSZACIVSA-N 316.449 3.007 0 40 DGAB COc1ccc(/C=C2\NC(=S)N(c3ccccc3C)C2=O)cc1 13014406 WHNRGAXHGHNXFV-PTNGSMBKSA-N 324.405 3.266 0 40 DGAB Cc1nc2ccc(Cl)cn2c(=O)c1NC(=O)CC1CCCC1 16975698 DYTKEXHBYFPXJY-UHFFFAOYSA-N 319.792 3.175 0 40 DGAB Cc1cc(-c2cnc(N3CCCC3)nc2-c2cccnc2C)on1 12088773 MGPRMWXHVNKDSS-UHFFFAOYSA-N 321.384 3.411 0 40 DGAB COC(=O)c1cc(-c2cc(Br)c(F)cc2F)on1 260105443 BZUNHJKUIUXSDI-UHFFFAOYSA-N 318.073 3.169 0 40 DGAB O=C([C@@H]1C[C@H]2CC[C@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 101126718 RYUWZDKWBSDILW-GRDNDAEWSA-N 318.848 3.425 0 40 DGAB Cc1cc(C)cc(-n2cc(-c3ccc4c(c3)OCO4)[nH]c2=O)c1 423055 CCPNBGQZIXZYRE-UHFFFAOYSA-N 308.337 3.178 0 40 DGAB O=C(Cc1cccc2ccccc12)Nc1nnc2n1CCCS2 10610320 NVYGEWBTKOZPSU-UHFFFAOYSA-N 324.409 3.108 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 12411820 RWMYBCJSDRVINF-YJEJQGFLSA-N 323.392 3.343 0 40 DGAB CCNC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1 1889952263 RIJJKOJPCNAVAG-UHFFFAOYSA-N 324.428 3.416 0 40 DGAB O=C(N[C@H](c1cccnc1)C1CCOCC1)c1ccsc1 225616839 DCEICLREKAVZCE-HNNXBMFYSA-N 302.399 3.041 0 40 DGAB COc1cccc(C(=O)N2CCN(CC3CCCCC3)CC2)c1 40059775 TYHMFKLIVAETKJ-UHFFFAOYSA-N 316.445 3.033 0 40 DGAB O=C(COC1CCCCC1)Nc1nc(-c2ccccn2)cs1 40140536 NWSYZBUJYYBVEO-UHFFFAOYSA-N 317.414 3.493 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc12 197536 NQDITSYYLXNEFS-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB COc1cccc(CN(C)[C@H](C)c2nc(C3CC3)no2)c1OC 51475804 RZVAGAWSOXMMRX-LLVKDONJSA-N 317.389 3.157 0 40 DGAB NC(=O)c1c(NC(=O)c2ccc(Cl)cc2)sc2c1CCC2 146439 HLNGOBKGAVKFSX-UHFFFAOYSA-N 320.801 3.241 0 40 DGAB CCN(CC)S(=O)(=O)c1cccc(-c2csc(C)n2)c1 352091 XEQDTORROYRUMD-UHFFFAOYSA-N 310.444 3.149 0 40 DGAB C[C@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1382249 APXWRTPHLQXKBP-HNNXBMFYSA-N 310.802 3.021 0 40 DGAB CCCCC(=O)NC(=S)Nc1nc2ccc(F)cc2s1 1840277 FQSULYUFYIEANK-UHFFFAOYSA-N 311.407 3.439 0 40 DGAB COC(=O)n1ccc(C(=O)Nc2cc(Cl)ccc2Cl)n1 2746938 ZAUZXFDHTWONJE-UHFFFAOYSA-N 314.128 3.057 0 40 DGAB COc1ccc2c(c1)O[C@@](c1ccccc1)(C(F)(F)F)NC2=O 3290380 WBVZYOJJFOBNGB-HNNXBMFYSA-N 323.270 3.233 0 40 DGAB C[C@H](NC(=O)c1cncc(Br)c1)c1ccc(F)cc1 3333665 CKAWXZKBMTYOKT-VIFPVBQESA-N 323.165 3.474 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2ccc3c(c2)CCC3)cc1 3361244 MINTZIIYFUUHRQ-UHFFFAOYSA-N 309.365 3.395 0 40 DGAB O=C(COc1ccc2ccc(=O)oc2c1)NC1CCCCCC1 3512347 AWKOAQVWBPSVTK-UHFFFAOYSA-N 315.369 3.011 0 40 DGAB O=C(CSc1ccc(-c2ccccc2)nn1)NC1CCCC1 4355344 UJUXQIUEJVNHQI-UHFFFAOYSA-N 313.426 3.295 0 40 DGAB COc1ccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)cc1 4520089 MSZRSWHOJPNSOU-UHFFFAOYSA-N 313.353 3.046 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@H](c2ccc(F)cc2)NC3=O)cc1 4626574 SHEXLAAJIPLYLD-HNNXBMFYSA-N 307.328 3.357 0 40 DGAB Cc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1cccnc1 5120555 CDMCAVDQNLCYGR-UHFFFAOYSA-N 318.442 3.166 0 40 DGAB Cc1c(Cl)cccc1NC(=O)COC(=O)Cc1cccs1 5786722 FYJWIBPXFQDWRY-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB CCSc1ncc(Cl)c(C(=O)NCc2ccccc2)n1 6810440 ZMIGOHKNFDJHLN-UHFFFAOYSA-N 307.806 3.172 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)O[C@@H](C)C(=O)c2ccccc2)c1C 6933253 KWXIAFAEEOJGLD-ZDUSSCGKSA-N 313.353 3.262 0 40 DGAB C[C@@H](Sc1nncn1C)C(=O)Nc1ccc(C(C)(C)C)cc1 10800193 CECOCJANUQGTAT-LLVKDONJSA-N 318.446 3.232 0 40 DGAB CC(C)OC(=O)CSc1ncnc2c1oc1ccccc12 11249041 GLXLMSYKHUQBOJ-UHFFFAOYSA-N 302.355 3.420 0 40 DGAB O=C(N[C@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCO1 12144742 KPYILEUQJVCYME-GOEBONIOSA-N 301.386 3.118 0 40 DGAB COC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12897261 BPEARPSQKYJDSB-UHFFFAOYSA-N 300.339 3.155 0 40 DGAB C[C@@H]1CC(=O)c2c(OCC(=O)N3CCCC[C@H]3C)ccc(F)c21 14085674 QUOKKMDKZUKMGY-VXGBXAGGSA-N 319.376 3.295 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14110055 VIBMJMDRVWQJME-KOLCDFICSA-N 316.382 3.176 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)N3CCC(C)CC3)c12 14898493 WRZVPQPVCVFTPP-UHFFFAOYSA-N 312.417 3.026 0 40 DGAB COc1ccc(-c2noc(CN3CCCC[C@H]3C)n2)cc1OC 15261464 VDRAAVRMGDNODN-GFCCVEGCSA-N 317.389 3.128 0 40 DGAB c1ccc(-c2nc3ccccc3nc2CN2CCOCC2)cc1 16492031 PBLDNNXDGNYDCS-UHFFFAOYSA-N 305.381 3.129 0 40 DGAB O=c1/c(=C/c2ccc(Cl)s2)sc2nc3ccccc3n12 17167514 MPUXXECDGLXKBI-XFFZJAGNSA-N 318.810 3.172 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1cccc2cn[nH]c12 24891174 HELOGTPQLUDSEC-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB Cc1nc(C)c(C(=O)NCCCCOc2ccc(F)cc2)s1 25831864 MPNYDOHQQSZROF-UHFFFAOYSA-N 322.405 3.488 0 40 DGAB NCC[S@](=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 26422239 XXJHHCFFJKWMKZ-OAQYLSRUSA-N 302.374 3.040 0 40 DGAB C[C@H](Sc1nccn1-c1ccccc1)C(=O)NC1CCCC1 27486776 MTNZUHPKALNLFO-ZDUSSCGKSA-N 315.442 3.412 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)NC[C@@H](c1ccccc1)C(C)C 27631739 OILMDXRDMFKYIB-GOSISDBHSA-N 313.445 3.135 0 40 DGAB CC(C)n1ncc2cc(NC(=O)c3ccc4[nH]cnc4c3)cnc21 29066149 LOGBRDAOFCBSTQ-UHFFFAOYSA-N 320.356 3.141 0 40 DGAB O=C(NCCc1ccccc1)c1cccc(Nc2ncccn2)c1 30804570 GKZCTXGVWFQSQY-UHFFFAOYSA-N 318.380 3.193 0 40 DGAB Cc1nnc(S[C@@H](C(=O)NC(C)C)c2ccccc2)s1 31650551 KGZKKRZSIWLJLQ-GFCCVEGCSA-N 307.444 3.205 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)nc1O 31939665 HTHNVAJOBIZFKX-UHFFFAOYSA-N 318.201 3.337 0 40 DGAB COc1cc(OC)cc(C(=O)N(Cc2ccco2)C2CC2)c1 32769390 OPZCGLYPABICSP-UHFFFAOYSA-N 301.342 3.102 0 40 DGAB Cc1csc(NC(=O)c2cc(-c3ccccc3F)on2)n1 32830332 MDXSFEICIQYVII-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)c1 36171597 JJMAIMZXZFDJLN-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c(C)c1 36635749 YNOMKAOUHXWRSQ-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CC(C)n1nccc1C(=O)Nc1nc(-c2cccnc2)cs1 36701762 NXTRHTIKKZVAIO-UHFFFAOYSA-N 313.386 3.235 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1F 36739175 LFHOMEVENLFDMM-PXAZEXFGSA-N 315.344 3.013 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@H](c1ccccc1)N1CCCC1 40013505 IIMQIXYBBCITAX-DOJUMQAQSA-N 310.397 3.246 0 40 DGAB Cc1nnc(COc2ccc(Cl)cc2Br)o1 40457378 CSOXBIVQDBFMJK-UHFFFAOYSA-N 303.543 3.373 0 40 DGAB Cc1ccccc1CNC(=O)CCCc1nc(C(C)C)no1 40515718 LESCTYDLNJJYEA-UHFFFAOYSA-N 301.390 3.141 0 40 DGAB O=C(c1ccc(Cl)cc1)c1ccc(CN2CCOCC2)cc1 43210841 XCNWUSCGOXDWMX-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB COc1ccc(NC(=O)Cc2nc(-c3ccccc3)oc2C)cn1 44896131 HHJCIOUOHQKPIM-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB Cc1cccc(NC(=O)c2cccc(CN3CCOCC3)c2)c1C 44900132 OKNKFHNYVCTNDG-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB COc1ncccc1NC(=O)COc1ccc2ccccc2c1 47554144 GFJRQUBKWQZLDC-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB O=C(NC1(c2noc(C(F)(F)F)n2)CCCCCC1)C1CC1 47897888 FEMPURAAAKCFDH-UHFFFAOYSA-N 317.311 3.164 0 40 DGAB O[C@H](COCc1ccco1)CN1CCC[C@@H]1c1cccs1 48277776 ZZNPBETXQKRFTD-DZGCQCFKSA-N 307.415 3.056 0 40 DGAB Cc1ccc([C@H](C)N(C)Cc2nc3ccsc3c(=O)[nH]2)cc1 52907369 CSBODSHHMWKMKB-LBPRGKRZSA-N 313.426 3.486 0 40 DGAB C[C@H](c1ccc2ccccc2c1)N(C(=O)Cn1cncn1)C1CC1 56379371 MKYABKUHOQABMA-CQSZACIVSA-N 320.396 3.184 0 40 DGAB Cc1c(C(=O)N[C@H]2CCN(C3CC3)C2)sc2ccccc12 58148539 KCDZZPLLSVVXIQ-LBPRGKRZSA-N 300.427 3.176 0 40 DGAB COc1ccc(CSc2nnc(C(F)(F)F)n2C)cc1F 58161628 YIPXUFVMARIWIL-UHFFFAOYSA-N 321.299 3.274 0 40 DGAB O=C(CSC[C@H](O)c1ccccc1)N1CCc2ccccc21 58264292 HNNMVONEHFMFCV-KRWDZBQOSA-N 313.422 3.043 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NC(=O)Nc1cnc2ccccc2c1 58308216 SODSCMWPRFZMPH-INIZCTEOSA-N 321.384 3.167 0 40 DGAB O=C(Nc1cc(Cl)ccc1O)c1cccc2c1OCCO2 60161949 ZZRGBCYVOIZZKW-UHFFFAOYSA-N 305.717 3.069 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2CC2CCCCC2)c(=O)[nH]1 61569542 FGSVGYBFGDSYPQ-OAHLLOKOSA-N 302.418 3.258 0 40 DGAB COC(=O)C[C@@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc21 61997419 YCRRDTLPLPBACE-OAHLLOKOSA-N 309.365 3.302 0 40 DGAB CC(=O)c1cc(C(=O)N2CCCC[C@@H]2Cc2ccccc2)n(C)c1 65517777 XTHFOZUGEUWLBD-GOSISDBHSA-N 324.424 3.465 0 40 DGAB Cc1cccc2[nH]cc(CC(=O)N3CCC[C@@H]3c3cnn(C)c3)c12 69625768 KOJAXIYHMIGKPO-QGZVFWFLSA-N 322.412 3.116 0 40 DGAB Cc1ccc(C)c(CS[C@H](C)C(=O)Nc2ncccn2)c1 69698311 HTVBCVVJIHWVQH-CYBMUJFWSA-N 301.415 3.354 0 40 DGAB C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 70172974 UNKKWMMFZAGSBC-VHSXEESVSA-N 301.217 3.193 0 40 DGAB C[C@@H](N)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 70172977 UNKKWMMFZAGSBC-ZJUUUORDSA-N 301.217 3.193 0 40 DGAB CCn1nc(C)cc1C(=O)N[C@@H](C)c1nc2c(s1)CCCC2 71896308 JVJCSBPEGDCELP-NSHDSACASA-N 318.446 3.038 0 40 DGAB CCN(C(=O)[C@H](C)OC)[C@@H](c1ccc(C)cc1)c1cccnc1 71903067 RRHPVYCUSCYLQO-YJBOKZPZSA-N 312.413 3.363 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cnccc2C)cc1 72211408 NFVBDMQPDRNHLA-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)Cc2cccnc2)n1 72275561 HRIOHWXKUOAXMW-CQSZACIVSA-N 301.415 3.143 0 40 DGAB CC(C)(C)C(=O)N1CCC2(CC1)Nc1cccnc1-n1cccc12 72342869 VPOLQIDRWQROJX-UHFFFAOYSA-N 324.428 3.162 0 40 DGAB CN(C(=O)NCc1ccc(N2CCCCCC2)nc1)C1CCC1 73623970 SCVLXGOMBMETIV-UHFFFAOYSA-N 316.449 3.156 0 40 DGAB O=C(C1C2CC3CC(C2)CC1C3)N1CCC[C@@H](c2ncc[nH]2)C1 75552517 GZYODGIIILRCFU-GSVLIZDISA-N 313.445 3.188 0 40 DGAB CCOC1CCN(Cc2ccn(-c3ccc(F)cc3)n2)CC1 75645224 MSGWDLUIMPAQMP-UHFFFAOYSA-N 303.381 3.012 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2c(C)noc2C)C1 76477879 AFGBJTRJTPMRDW-QWHCGFSZSA-N 311.451 3.107 0 40 DGAB CCN(C(=O)c1cccc(OC)n1)[C@@H](c1cccnc1)C(C)C 84096229 MQSBZMSGUOXTIW-QGZVFWFLSA-N 313.401 3.345 0 40 DGAB Cn1cc(C(=O)NC2CCCCCCC2)c(-c2cccnc2)n1 84314182 LPXUMHZKODAKBB-UHFFFAOYSA-N 312.417 3.325 0 40 DGAB C[C@@H](NC[C@@H](Cc1ccccc1)N(C)C)c1cncc(F)c1 89904605 ZPWCXLWSOJOUBP-RDTXWAMCSA-N 301.409 3.044 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@@H](CC)C1 89949162 ZUJJUNHZHFKKHQ-SWLSCSKDSA-N 321.490 3.147 0 40 DGAB COc1c(Cl)cc(NC(=O)N[C@@]2(C)CCOC2)cc1Cl 95440650 RTTDWAFSROBHAI-ZDUSSCGKSA-N 319.188 3.303 0 40 DGAB Cc1nc(Cn2cnc3sc(C)c(C)c3c2=O)sc1C 95964872 URTWQBSFHJBVIY-UHFFFAOYSA-N 305.428 3.196 0 40 DGAB CCC(=O)Nc1ccc([C@H](C)N[C@H]2CCN3CCC[C@@H]3C2)cc1 95974225 GSTCHJFEQQCRMS-JCGIZDLHSA-N 315.461 3.313 0 40 DGAB Cc1ccc(CN2CCC3(CC2)CCN(CC(C)C)C3=O)o1 96046767 WZROBOUZEVFFBM-UHFFFAOYSA-N 304.434 3.059 0 40 DGAB CCn1ncc2c1[C@H](COC)CN(Cc1ccc(C)s1)C2 96060145 AACOZNLGTKTMSF-AWEZNQCLSA-N 305.447 3.019 0 40 DGAB CC(C)N1CC2(CCN([C@@H]3CCOC3)CC2)c2ccccc21 96078777 DWCGIENRGUGAFG-MRXNPFEDSA-N 300.446 3.038 0 40 DGAB Cc1csc(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)c1 96096406 HEHPDOBUOASSAH-HNNXBMFYSA-N 314.410 3.012 0 40 DGAB O=C(C1CC1)N1CCC(F)(F)[C@]2(CCN(c3ccccc3)C2)C1 96239539 TWYLKEVRHYGLPY-KRWDZBQOSA-N 320.383 3.161 0 40 DGAB COC(=O)[C@H](Sc1nccn1C1CC1)c1ccc(F)cc1 96409765 SHNJBDWBROQORJ-CYBMUJFWSA-N 306.362 3.364 0 40 DGAB CC(C)(CNC(=O)[C@H]1C[C@H]1c1cccnc1)c1cccc(F)c1 96411084 DJEIYPRIOJGROG-IRXDYDNUSA-N 312.388 3.418 0 40 DGAB CCN(CC1CCN(c2ccccn2)CC1)C(=O)C=C(C)C 96432931 MCTQYAKHJMTHJJ-UHFFFAOYSA-N 301.434 3.113 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)c2c(O)cc(F)cc2F)C1 96475454 XVCBTHMIGDTYRP-UWVGGRQHSA-N 301.358 3.027 0 40 DGAB CNC(=O)c1cccc(CCN[C@@H](C)c2sccc2C)c1 96478161 KHIQLHJDIGFAFS-ZDUSSCGKSA-N 302.443 3.309 0 40 DGAB C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1cccc(F)c1 97018538 MAGAGVDLFNJYPK-LBPRGKRZSA-N 315.344 3.286 0 40 DGAB CC(C)c1ccccc1OCCN1C(=O)N2CCC[C@@]2(C)C1=O 97045874 JSACBEXIDMFDGH-SFHVURJKSA-N 316.401 3.006 0 40 DGAB Cc1nc2ncc(C(=O)N(C)[C@H](C)Cc3cccs3)cc2[nH]1 97108227 OVLFSCITBVTOPY-SNVBAGLBSA-N 314.414 3.031 0 40 DGAB NC(=O)[C@H](Cc1ccccc1)Sc1ccc2ccccc2n1 97114181 PTEQWHSIULOVCZ-INIZCTEOSA-N 308.406 3.424 0 40 DGAB C[C@H](CO)N[C@H](c1ccc(Br)cc1)c1ccco1 97234074 HBXQXDDKKSURLU-QMTHXVAHSA-N 310.191 3.102 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@@H]2C(=O)N1Cc1ccccc1 100070323 LHVNCKKBACCNEW-FPAYPSAMSA-N 319.404 3.474 0 40 DGAB Cc1ccc(-c2cc(CN3C(=O)[C@H]4CC=CC[C@@H]4C3=O)on2)cc1 103173109 JUYVAOXFYHHUFZ-HOTGVXAUSA-N 322.364 3.101 0 40 DGAB C[C@H](NC(=O)c1ccc(OCC2CC2)cc1)c1nccs1 105992847 JACSJIROHQDWKB-NSHDSACASA-N 302.399 3.423 0 40 DGAB CCOc1ccc(NC(=O)N(C)[C@@H]2CCN(CC)[C@H](C)C2)cc1 107069738 FGXIJVCWNPGSEJ-GDBMZVCRSA-N 319.449 3.422 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)C1CC1)[C@@H]1C[C@H]2CC[C@H]1O2 107498688 IWHNYTQHZGPBCD-KLHDSHLOSA-N 305.805 3.475 0 40 DGAB COc1ccc(OC)c(C(=O)Oc2ccc(C)cc2C(C)=O)c1 113839196 FCXKBXNXONRWQF-UHFFFAOYSA-N 314.337 3.434 0 40 DGAB COc1ccccc1[C@H]1CCN(C(=O)Cc2ccccc2F)C1 153113053 GCWSGIASPQOXFB-HNNXBMFYSA-N 313.372 3.393 0 40 DGAB CC(C)n1cccc1C(=O)N1CCCCC[C@@H]1c1ncon1 189617314 OEWKAFJNUFKEKI-CYBMUJFWSA-N 302.378 3.210 0 40 DGAB Cc1nn(C)c2ncc(CNc3cc(C(F)(F)F)ccn3)cc12 192148391 XJKQJPVDLLQQKU-UHFFFAOYSA-N 321.306 3.303 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)C1 222278576 UPVSBELNSKKWIP-QWQRMKEZSA-N 300.402 3.074 0 40 DGAB CC(C)OCCCNC(=O)[C@H](C)Oc1ccc2c(c1)CCCC2 223256921 ZJVYBESXHBSGKN-HNNXBMFYSA-N 319.445 3.264 0 40 DGAB Cc1ccc(OCCNC(=O)COc2ccccc2)cc1Cl 224114978 GBJIZDBCIPXWBH-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c1 225052646 IVWZMULUGWZZCN-HZPDHXFCSA-N 302.462 3.401 0 40 DGAB CC(C)n1ccc(CN2C[C@H](O)C[C@H]2c2cc(F)ccc2F)n1 225501412 SSEWRJFLGGVWAS-PBHICJAKSA-N 321.371 3.050 0 40 DGAB CC(C)CNC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227166962 GQPWZROXOKLLGR-UHFFFAOYSA-N 303.381 3.242 0 40 DGAB CCOC(=O)[C@H](CN)[C@@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 242581715 OCKDPBVSIVVMTJ-PDWMJMLSSA-N 324.509 3.051 0 40 DGAB Cc1noc(C)c1-c1cccc(C(=O)NCc2ccccc2)n1 257278421 OCEWGQBCEYQHMN-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB O=C(c1cc[nH]n1)N1CCC(Cc2cccc3ncccc23)CC1 257337413 YSRBUAIBTTWTEG-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB COc1ccc2cc(NC(=O)CCCn3cccc3)cnc2c1 524735537 IJHYGOXRQCQTHG-UHFFFAOYSA-N 309.369 3.464 0 40 DGAB Cc1c(CN(C)C(=O)C[C@H](C)c2ccc(F)cc2)cnn1C 548398774 CDYGWGFHLLQEAD-LBPRGKRZSA-N 303.381 3.020 0 40 DGAB C=CC(=O)N[C@H](C(C)C)[C@H](O)c1cccc(C(F)(F)F)c1 585124853 VVVSAHPYHKXFAE-ZIAGYGMSSA-N 301.308 3.066 0 40 DGAB C[C@H](NC(=O)C[C@H](C)Cc1cccc(F)c1)c1cnccn1 585125843 HGJSHIBBKZBBBA-OLZOCXBDSA-N 301.365 3.062 0 40 DGAB CC[C@@H](O)c1nccn1Cc1cscc1Br 585137001 CFUUSLPVGVVXTM-SNVBAGLBSA-N 301.209 3.199 0 40 DGAB O=C1N[C@H](c2ccccc2)C12CCN(CCc1ccccc1)CC2 1201605095 WVCHMQHSTXNIMA-LJQANCHMSA-N 320.436 3.182 0 40 DGAB CC[C@H]1CCCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 64360 XKPSELTUECNQGI-ZDUSSCGKSA-N 307.390 3.117 0 40 DGAB CCOC(=O)c1nc(Nc2cccc(O)c2)c2ccccc2n1 145905 PLRXLLDOYZZNFW-UHFFFAOYSA-N 309.325 3.256 0 40 DGAB CNC(=O)N(C1=NC[C@H](C)S1)c1cccc(C(F)(F)F)c1 161688 WOZZNPYRXYJMQQ-QMMMGPOBSA-N 317.336 3.343 0 40 DGAB c1ccc(-n2ncc3c2ncn2nc(-c4cccs4)nc32)cc1 545495 RDDZEVLVPXJJBU-UHFFFAOYSA-N 318.365 3.192 0 40 DGAB CCCCCOC(=O)c1ccc(NC(=O)CNCC(C)C)cc1 1671702 CNSQTDGGVLBSEV-UHFFFAOYSA-N 320.433 3.218 0 40 DGAB Cc1ccc(F)cc1NC(=O)COC(=O)c1ccccc1C 3474969 HXIKLHBVWTZJDM-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CCCCC[C@@H](C)NC(=O)CCCC(=O)Nc1ccccn1 4678126 QSCLZXKQDQWDPT-CQSZACIVSA-N 305.422 3.275 0 40 DGAB CC(C)NC(=O)C1CCN(C(=O)Nc2cccc(Cl)c2)CC1 4965512 UOZAHYXIVURIEH-UHFFFAOYSA-N 323.824 3.109 0 40 DGAB CC(=O)CSc1nnc(-c2ccoc2)c(-c2ccoc2)n1 4993619 IJAFFOXSRCRSBF-UHFFFAOYSA-N 301.327 3.073 0 40 DGAB O=[P@@](NC12CC3CC(CC(C3)C1)C2)(c1ccccc1)N1CC1 5045862 MARDHLWQLBIPSS-GYSCCTMQSA-N 316.385 3.379 0 40 DGAB CCOC(=O)[C@@H](Sc1nnc2ccccn12)c1ccccc1 6114997 DUIJEIKLIBQOOD-AWEZNQCLSA-N 313.382 3.126 0 40 DGAB Cc1cc(C)n(-c2ccc(CSc3cccc[n+]3[O-])cc2)n1 6847647 HKUHYQVCMJPBAQ-UHFFFAOYSA-N 311.410 3.415 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)/C=C/c1ccccc1 6879942 VZGGZCDZEAZRDX-OUKQBFOZSA-N 308.381 3.478 0 40 DGAB CS(=O)(=O)c1ccccc1NC(=O)c1cc2ccccc2o1 7613958 QVUSFFAZIXSDCT-UHFFFAOYSA-N 315.350 3.089 0 40 DGAB CCCCNC(=S)Nc1sc2c(c1C(=O)OC)CCC2 7641434 JYSSOFFEYNPJLQ-UHFFFAOYSA-N 312.460 3.110 0 40 DGAB Cc1cccc(-c2noc(CNC(=O)/C=C/c3ccccc3)n2)c1 7759138 JXRQPPUKKNEWDG-ZHACJKMWSA-N 319.364 3.375 0 40 DGAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NCc2ccco2)cc1 8327413 WWEJQKUDVHYHNT-NSHDSACASA-N 318.398 3.035 0 40 DGAB c1cc(-c2nc(CSc3nnnn3C3CC3)cs2)cs1 8327873 JRJSUDIVBYUDRD-UHFFFAOYSA-N 321.456 3.485 0 40 DGAB Cc1c(F)cccc1NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C 8330402 YMPZARQESCHURE-AWEZNQCLSA-N 322.380 3.472 0 40 DGAB O=C(Nc1cccc(F)c1)c1ncn(-c2ccc(Cl)cc2)n1 8715354 LIWJHRGDXYHPOF-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB COc1cc(C=O)ccc1OCCCN1C[C@@H](C)C[C@@H](C)C1 8731457 OORCWKMBMDLTPT-GASCZTMLSA-N 305.418 3.255 0 40 DGAB COc1ccc(CCNc2ncnc3ccsc23)cc1OC 8756059 CWVGZJPYQUHWSW-UHFFFAOYSA-N 315.398 3.363 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)c1cc(Cl)c[nH]1 8774501 LMUVMHGNPULNSF-UHFFFAOYSA-N 324.789 3.186 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)Nc1nc2ccccc2s1 9521218 BKUMXZBGGPNKET-UHFFFAOYSA-N 312.350 3.206 0 40 DGAB COC(=O)[C@@H](C)Oc1ccc(-c2cc3ccccc3oc2=O)cc1 11766120 CWDYXYIEMUYUFT-GFCCVEGCSA-N 324.332 3.400 0 40 DGAB CCNC(=O)CSc1nccn1-c1cccc(Cl)c1C 12538933 DJFQJABBBKPNRS-UHFFFAOYSA-N 309.822 3.062 0 40 DGAB CN(C)CCCNc1nc(-c2ccccn2)cc2ncccc12 19582396 DERYBFSPXHJMNP-UHFFFAOYSA-N 307.401 3.055 0 40 DGAB Cc1ccc(-n2c(N(C)C)nc3cc(C(=O)O)sc32)cc1 20281478 JQRUPZNWWKCJSH-UHFFFAOYSA-N 301.371 3.160 0 40 DGAB O=C(O)c1ccc(Oc2ccc(F)cc2Br)nc1 22171076 PGPHGIWPCDRYEY-UHFFFAOYSA-N 312.094 3.474 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)N1CCC[C@H](C)C1 22989838 GCCDJLFITNWKPX-LBPRGKRZSA-N 315.442 3.289 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1C[C@@H]1c1ccc(F)cc1 24905113 QEIZZLYCXXCXAQ-CVEARBPZSA-N 322.343 3.149 0 40 DGAB C[C@@H](NCc1ccc(F)c(F)c1)c1ccc(-n2cncn2)cc1 25364905 CTTWKDHPDWHEAR-GFCCVEGCSA-N 314.339 3.396 0 40 DGAB Cc1c(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)C2CC2)cnn1C 27280591 NUDZSFDXYOBTCO-NHYWBVRUSA-N 313.401 3.250 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccn(C3CCCC3)n2)cc1 28223027 PKOSIJDEZIILDU-UHFFFAOYSA-N 312.373 3.209 0 40 DGAB C[C@H](Sc1cnc2ccccc2n1)C(=O)NCc1ccccc1 32778380 BLSQZMMVLZBSST-ZDUSSCGKSA-N 323.421 3.427 0 40 DGAB O=C(NCCc1cccc(Cl)c1Cl)Nc1nncs1 40146039 VCKRLLJBFGDYIU-UHFFFAOYSA-N 317.201 3.209 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc3c(ccn3C)c2)cc1 40287139 BILKXTLCVSKWCL-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2cccc(Br)c2)on1 42238912 OZUDSWZFIOPOGH-VIFPVBQESA-N 309.163 3.237 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@H]2c2cc(C)no2)c1 43065780 LWEKBOJDQGXRHR-HNNXBMFYSA-N 315.373 3.038 0 40 DGAB CCc1nnc(NC(=O)CCC(=O)c2cc(C)ccc2C)s1 48332607 YGWKATFDRMBKFC-UHFFFAOYSA-N 317.414 3.319 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1ccc2cc(OC)ccc2c1 49590115 OEZBZZHOCXKRBD-KRWDZBQOSA-N 312.413 3.063 0 40 DGAB Cc1nc2ccccc2nc1CN1CCC(N2CCCCC2)CC1 52002559 BLOYDTNAXIDPOH-UHFFFAOYSA-N 324.472 3.389 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2c2cccc(F)c2)nc2ccccc12 53717853 IQWLOGBNHGNLNF-QGZVFWFLSA-N 323.371 3.399 0 40 DGAB OC1CCN(c2ccc(Nc3cnc4ccccc4n3)cc2)CC1 54059428 ATIMLNBCFPHQEP-UHFFFAOYSA-N 320.396 3.335 0 40 DGAB CCOc1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 55652092 PCNSOLMDSDCCAS-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB COc1ccc(CCCNC(=O)Nc2cccc(OC)c2)cc1 56357772 VFKRSVBRICAALU-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB CSc1n[nH]c(N)c1-c1nc(-c2ccc(Cl)cc2)no1 57354749 TZGGSLNRKRZTLO-UHFFFAOYSA-N 307.766 3.084 0 40 DGAB S=C(Nc1cccnc1)Nc1ccc2c(c1)OCCCO2 57762161 IOCLVWQLOKGDHI-UHFFFAOYSA-N 301.371 3.052 0 40 DGAB Cc1ccc(CN(CCCN(C)C)Cc2cccc(O)c2)o1 57810832 FFNVDGWULUYWBA-UHFFFAOYSA-N 302.418 3.248 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 58168231 QLGSEEALMUENKX-ZETCQYMHSA-N 324.283 3.355 0 40 DGAB CC1(C)CC(NC(=O)N2CCc3ccc(F)cc32)CC(C)(C)N1 60216927 JCRVEQFVMQTFEE-UHFFFAOYSA-N 319.424 3.207 0 40 DGAB Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)cc1F 65232536 SDAQRXWGEQXZOX-UHFFFAOYSA-N 310.332 3.100 0 40 DGAB CCCn1cc(C(=O)N[C@@H](c2cc(C)ccn2)C2CC2)c(C)n1 65373867 MAKNEOUWWGKEGX-QGZVFWFLSA-N 312.417 3.186 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](n2ccnc2C)C1 69878076 SSEVAPKJXDRUQY-HNNXBMFYSA-N 322.412 3.459 0 40 DGAB Cc1cc(S(=O)(=O)N(C)c2ccccn2)ccc1OC(C)C 71818553 MCSXPCKOMUXIDB-UHFFFAOYSA-N 320.414 3.002 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCO[C@H](c2ccc(F)cc2)C1 71835253 YMXPDSNMTUSPFW-UXLLHSPISA-N 315.344 3.122 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)[C@@H](C)c3ccccn3)c2)o1 73105099 QWVRLFXZSOZOIO-LBPRGKRZSA-N 322.368 3.273 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](C)[C@@H](O)c1ccc(F)cc1 75137084 CTAOESIFLNTPFD-MEDUHNTESA-N 318.348 3.078 0 40 DGAB c1ccc(-c2cccc(CNC[C@@H]3CCc4nncn4C3)c2)cc1 75605507 BHYLEDJDEWTTDS-KRWDZBQOSA-N 318.424 3.297 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)N[C@@H](C)c2ccncc2)c1 78550186 CUVMUQGNQJQZHE-AWEZNQCLSA-N 321.384 3.458 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H]1C[C@@H](O)c1ccccc1 78935648 SQUIMNQOQPBDMM-HUUCEWRRSA-N 316.426 3.180 0 40 DGAB COC(=O)CCSc1nnc(-c2cc3ccccc3o2)o1 79014877 QHMFJNHVGSWNJN-UHFFFAOYSA-N 304.327 3.138 0 40 DGAB CC(=O)N1CCC(C(=O)Nc2cc(C(C)C)c(O)cc2C)CC1 79072589 OMQISUPDJOZMLJ-UHFFFAOYSA-N 318.417 3.021 0 40 DGAB COc1c(NC(=O)CC(C)(C)c2ccccc2)c(C)nn1C 79358298 RQOVPTSMSQRBER-UHFFFAOYSA-N 301.390 3.044 0 40 DGAB CO[C@H](CNC(=O)CCc1cccnc1)c1cccc(Cl)c1 81324546 TTXMGGLDOFEFLS-MRXNPFEDSA-N 318.804 3.172 0 40 DGAB O=C(N[C@@H]1C=C[C@H](CO)C1)c1ccc(Oc2ccccc2)cc1 81766182 ANZSYOKDTRGOMD-GOEBONIOSA-N 309.365 3.146 0 40 DGAB C[C@@H](C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)n1cncn1 84838995 WBJFMJVWKNWQTN-BJICUUOASA-N 324.428 3.324 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)C[C@H](O)c2cccc(F)c2)C1 89289174 IJCOOXOIKIBWQY-KFWWJZLASA-N 311.422 3.040 0 40 DGAB O=C(N1C[C@H]2CCC[C@@H]2C1)C1(c2ccc(F)cc2)CCOCC1 89783121 WUQLGAZOLMHBKH-HUUCEWRRSA-N 317.404 3.132 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(F)(F)F)C1 95412528 YZGSSIPVOYMIIM-GHMZBOCLSA-N 310.360 3.174 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@@H](C)CO1 95957824 QOMDPWTUDLHEQY-UWVGGRQHSA-N 302.296 3.347 0 40 DGAB C[C@@H](NC(=O)C[C@@](O)(c1ccccc1)C(F)(F)F)C(C)(C)C 95993658 WAOWXOBFJFNNLU-IAQYHMDHSA-N 317.351 3.377 0 40 DGAB C[C@@H](NC(=O)Nc1cccnc1)c1ccc(-n2cccn2)cc1 96434117 LAUHKCYSIUERQC-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1cccc(N(C)C(C)C)c1 96434810 DHWQWTXYYWTVIW-HNNXBMFYSA-N 305.422 3.174 0 40 DGAB C[C@H]1CN(C(=O)NCc2ccsc2)C[C@@H](c2ccsc2)O1 96469840 DKXVLFVEUZSRMT-FZMZJTMJSA-N 322.455 3.481 0 40 DGAB Cc1ccccc1-n1nccc1NC(=O)NCc1ncccc1C 97033253 XPWXZKLUGXWSCE-UHFFFAOYSA-N 321.384 3.206 0 40 DGAB O=S(=O)(N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cc(Cl)ccc1Cl 100294007 NHZWBGHCVRQSOL-LNLATYFQSA-N 320.241 3.460 0 40 DGAB COc1ccc(C2=C[C@@H](c3ccccc3)n3ncnc3N2)cc1 100490392 ZRSGBMBNDDBEPL-KRWDZBQOSA-N 304.353 3.343 0 40 DGAB COc1ccc([C@@H]2C=C(c3ccc(C)cc3)N=C3N=CNN32)cc1 100583871 PAAJVDGBQRSGBE-SFHVURJKSA-N 318.380 3.304 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 101087145 LPHDWJWQVGENST-GBOPCIDUSA-N 301.773 3.037 0 40 DGAB CN(Cc1nccn1Cc1ccccc1)C(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101374727 KIKBZXKYVLHLAK-BZSNNMDCSA-N 321.424 3.102 0 40 DGAB COc1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105697381 NJYHWOBLBYTSOU-WSMBLCCSSA-N 303.402 3.015 0 40 DGAB CN(C[C@H]1CCCOC1)C(=O)c1sccc1Br 107646019 FHSSUWYEDGJQHD-SECBINFHSA-N 318.236 3.009 0 40 DGAB Cc1csc([C@H](NC(=O)N2C[C@@H]3CCC[C@H]3C2)C2CC2)n1 108102718 ABIXRNOWEHETHD-MELADBBJSA-N 305.447 3.344 0 40 DGAB C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 157127822 FUGNQFUPHMWKLQ-UKRRQHHQSA-N 304.434 3.135 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NC[C@H](C)c2ccccc2)c1 224427909 BTJIZGQBVBLJIN-GJZGRUSLSA-N 313.397 3.382 0 40 DGAB Cc1ccc(C)c(C(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 225052684 IVWZMULUGWZZCN-HOTGVXAUSA-N 302.462 3.401 0 40 DGAB C[C@H](CNC(=O)CC1CCC2(CC1)OCCO2)c1cccs1 225561418 RXJUYICNKZQRQH-CYBMUJFWSA-N 323.458 3.291 0 40 DGAB COc1ccc(N(C)C(=O)c2conc2C2CC2)cc1Cl 225562262 LZVFNUFJMMOSGE-UHFFFAOYSA-N 306.749 3.491 0 40 DGAB COc1ccc(NC(=O)C(C)C)cc1-c1ccc(C(=O)O)o1 226352529 LVNWXGUFHVUPGD-UHFFFAOYSA-N 303.314 3.248 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@H](Cc3ccccn3)C2)c1 257218812 DEMLNEQWHGHTHS-QGZVFWFLSA-N 324.424 3.114 0 40 DGAB NC(=O)c1cnc([C@@H]2CCCCN2Cc2ccccc2F)s1 257222642 DUDUENGNOTVADR-ZDUSSCGKSA-N 319.405 3.108 0 40 DGAB CNc1cccc(CC[C@H]2CCCCN2C(=O)c2cccnc2)n1 257240660 HUNUDGLVCUBMHQ-QGZVFWFLSA-N 324.428 3.146 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CNc2cnccn2)cc1 257262443 LLKPWBPAOGHTEP-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB O=C(COc1ccccc1)N1CCC[C@H]1CCc1ccncc1 257297660 RIIRAVBAYXZTBZ-KRWDZBQOSA-N 310.397 3.084 0 40 DGAB CN(C)Cc1cccc(-c2cccnc2C(=O)N2CCCC2)c1 257330929 XQPUCPXGMBINIH-UHFFFAOYSA-N 309.413 3.046 0 40 DGAB CO[C@]1(C)CCCN(C(=O)Nc2cc3c(cc2C)OCO3)CC1 281060780 PPCARVIZGBHKEJ-QGZVFWFLSA-N 320.389 3.147 0 40 DGAB Cc1noc(C)c1CC(=O)NC1(c2cccs2)CCCC1 390828791 UKPWINRJMRPLNV-UHFFFAOYSA-N 304.415 3.481 0 40 DGAB O=C(C[C@@H](c1ccc(Cl)cc1)n1cccc1)Nc1cc[nH]n1 524735681 RCQQGYRQNWFAME-AWEZNQCLSA-N 314.776 3.483 0 40 DGAB CC(C)c1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@@H](C)[C@@H]2C)cc1 528755677 HILIXSWPRVTPLD-NUXNZHGMSA-N 304.434 3.150 0 40 DGAB CN1CC[C@@H](CNCCc2ccccc2F)[C@@H]1c1cccnc1 583623954 YSGKTVFSPRTOLM-HKUYNNGSSA-N 313.420 3.046 0 40 DGAB CC(C)n1nccc1C(=O)Nc1cccc(N=S(C)(C)=O)c1 585091125 ZQTWTVCZCHYPDO-UHFFFAOYSA-N 320.418 3.075 0 40 DGAB C[C@]1(C2CCNCC2)CCCCN(Cc2ccccc2)C1=O 585169371 DRCBBDRJZRBDHM-LJQANCHMSA-N 300.446 3.205 0 40 DGAB Cc1ccc(C)c(N2C(=O)[C@H]3Cc4ccccc4CN3C2=S)c1 2789707 YQPSZGGZYRJTED-QGZVFWFLSA-N 322.433 3.362 0 40 DGAB COc1cccc(OC)c1OCc1nnc(-c2ccccc2)o1 12371687 ZHNFLTFVNSGRRJ-UHFFFAOYSA-N 312.325 3.333 0 40 DGAB CC(C)CC(CC(C)C)NCCOC(=O)c1ccc(N)cc1 1710523 WOIVEMCQIRZQLJ-UHFFFAOYSA-N 306.450 3.476 0 40 DGAB CCN(CCN(C)C)C(=O)C(c1ccccc1)c1ccccc1 1726187 FXVKCXUBAUNYLN-UHFFFAOYSA-N 310.441 3.229 0 40 DGAB C/C(=C\C(=O)NCCc1c(C)noc1C)c1cccc(F)c1 104122681 FESFPVYKZDCENH-PKNBQFBNSA-N 302.349 3.193 0 40 DGAB O=C(c1c[nH]c2ccccc2c1=O)N1CCC[C@@H]1C1CCCC1 54138845 OVDXROFSEJTSRT-QGZVFWFLSA-N 310.397 3.323 0 40 DGAB COc1ccccc1NC(=O)CSC(=O)c1ccccc1 4916396 XMTYHDPNYHMBIE-UHFFFAOYSA-N 301.367 3.207 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2N)cc1Cl 6755339 ONHDHBUXGRUBDN-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB CCc1ccc(OCc2cc(=O)n3cc(C)sc3n2)cc1 8830879 YOCPHTHACBFGDF-UHFFFAOYSA-N 300.383 3.206 0 40 DGAB C[C@H](NCc1cccc2c1OCO2)c1ccc2c(c1)CCC(=O)N2 47826888 MYCPVTFATUTBGZ-LBPRGKRZSA-N 324.380 3.151 0 40 DGAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCO[C@H]2CCC[C@@H]21 56197210 VLDFTTNNEZMFRA-IRXDYDNUSA-N 324.380 3.267 0 40 DGAB CN(Cc1ccco1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 12534156 RWTMKZNRMVJRCY-UHFFFAOYSA-N 313.382 3.400 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1cccc(C(C)=O)c1 12532590 FTHRWPCZDLEKJO-UHFFFAOYSA-N 319.382 3.007 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)o2)on1 43722609 IZCSGSAOZQXGCN-CHWSQXEVSA-N 303.362 3.492 0 40 DGAB Cc1cc(C)cc(C(=O)NC2CCN(Cc3ccncc3)CC2)c1 57166791 ZFGQITXQSZXDRO-UHFFFAOYSA-N 323.440 3.093 0 40 DGAB O=C(NCc1ccccn1)c1cc(-c2ccccc2Cl)[nH]n1 57413590 YNVHHFSBGCZNSB-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1 3217276 VXDYFVSRSSKMOG-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=C(CCC(=O)c1cccs1)Nc1n[nH]c2cccc(F)c12 58147769 CCCMZOOZYCIPCU-UHFFFAOYSA-N 317.345 3.365 0 40 DGAB Cc1ccc(C[S@](=O)CCC(=O)Nc2ccc(F)cc2)cc1 58155532 AZFLZTIPMIQSLL-QFIPXVFZSA-N 319.401 3.412 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 20104602 HAENOKZIJQPSFN-CQSZACIVSA-N 317.316 3.351 0 40 DGAB CC[C@H](C)n1c(S[C@H]2CCOC2=O)nnc1-c1ccccc1 58202527 YTGBKKQQUACMQK-AAEUAGOBSA-N 317.414 3.324 0 40 DGAB O=C(c1ccc2c(c1)OCO2)n1nc(C(F)(F)F)cc1C1CC1 27926679 UTFISMNJJRYANZ-UHFFFAOYSA-N 324.258 3.197 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccncc3)C2)sc1C 72297408 QFNXVLIVCOLGLC-CQSZACIVSA-N 301.415 3.175 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccnn2[C@@H](C)C2CC2)cc1C 27757501 QZCVGPKSWANLBS-AWEZNQCLSA-N 313.401 3.488 0 40 DGAB CCCCN(CC)C(=O)/C=C/c1ccc(C(=O)NC2CC2)cc1 28278205 HZGXJXKUGLTSCS-MDWZMJQESA-N 314.429 3.241 0 40 DGAB Cc1ccccc1[C@H](O)CNC(=O)C(C)(C)c1cccs1 84235176 HVVSXQMEANJPLA-CQSZACIVSA-N 303.427 3.184 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCc1ccc(OC[C@@H]2CCCO2)cc1 36394570 QBGMZNFXTRGRGB-QAPCUYQASA-N 315.413 3.217 0 40 DGAB C[C@H]1CN(C(=O)Cc2csc(-c3ccsc3)n2)[C@H](C)CO1 36398605 JWCHNGIDZHMLEW-MNOVXSKESA-N 322.455 3.050 0 40 DGAB O=C(Nc1nc2ccccc2s1)c1cn(-c2ccccc2)nn1 28888026 HRLAMEFSHFXEGC-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB Cc1nc(CCC(=O)O)oc1-c1ccc(Br)cc1 19387293 WEBXMUPUHCYZLU-UHFFFAOYSA-N 310.147 3.430 0 40 DGAB in-vitro Cc1ccc(C)c(S(=O)(=O)N2CCc3ccccc3C2)c1 12997556 JBJONWUUAWBFEI-UHFFFAOYSA-N 301.411 3.050 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2cccc3cccnc23)cc1 13000961 IZVLHUAONQLCJM-UHFFFAOYSA-N 319.364 3.123 0 40 DGAB CCc1ccc(C(=O)Nc2sccc2C(=O)N2CCC2)cc1 63680098 KSTNOGKLLQVURK-UHFFFAOYSA-N 314.410 3.409 0 40 DGAB O=C(c1csnn1)N(Cc1cc(F)ccc1F)C1CCCC1 83009895 VIKCXBMYNUXUNA-UHFFFAOYSA-N 323.368 3.401 0 40 DGAB CCOCCc1nnc(NC(=O)c2cccc(Cl)c2)s1 13570498 NMFFAIBSXIAYSI-UHFFFAOYSA-N 311.794 3.023 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1[C@H]1CC(O)=Nc2c1cnn2C 49547904 JVPOMWABJOENFY-AWEZNQCLSA-N 321.384 3.346 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)c1ccccc1Br 9154063 GMDFGVWEDOUZTI-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB CC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@]1(C)C(=O)O 6085704 HVTWIDRZXOVYOX-KPZWWZAWSA-N 324.384 3.272 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(-c3c[nH]cn3)cc2)cc1 39980622 VCSMNWDFDFNASF-UHFFFAOYSA-N 307.353 3.403 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 6336507 OELYBZLBEMUMRN-NSHDSACASA-N 316.332 3.190 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)CCc1cccs1 14023423 GRSNFCXEDWVWNT-UHFFFAOYSA-N 318.398 3.286 0 40 DGAB Cc1ccc(-c2nn(Cc3ccccc3)cc2C(N)=O)cc1C 14121417 PXJLJJMANILSNP-UHFFFAOYSA-N 305.381 3.314 0 40 DGAB CCCN1CCC(N(C)C(=O)Nc2ccccc2OC)CC1 65622662 QMRWCZWKIKQKHE-UHFFFAOYSA-N 305.422 3.033 0 40 DGAB CN(C(=O)C1CCN(C(=O)OC(C)(C)C)CC1)C1CCCCC1 4699263 VFDDSNZNHSNWGW-UHFFFAOYSA-N 324.465 3.425 0 40 DGAB CCCCNC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 5707629 YSYZXPLTEDQHCG-LBPRGKRZSA-N 312.822 3.059 0 40 DGAB CCc1nc(CSc2nccn2-c2ccc(C)c(C)c2)n[nH]1 96010385 YHGXYCBULNQCRJ-UHFFFAOYSA-N 313.430 3.462 0 40 DGAB Cn1nc(-c2ccccc2F)c2c(C(F)(F)F)cc(=O)[nH]c21 117515747 ABXBPEPCDUNQEX-UHFFFAOYSA-N 311.238 3.087 0 40 DGAB COC(=O)c1ccc(COC(=O)c2cc(C)ccc2OC)cc1 7083043 RAMFUPINZPABBX-UHFFFAOYSA-N 314.337 3.147 0 40 DGAB Cc1ccc(-n2c(SCCC(N)=O)nc3ccccc32)cc1 7032905 VIZLHUYDHSFGFM-UHFFFAOYSA-N 311.410 3.301 0 40 DGAB CC1CCN(CC(=O)NCc2ccc(Cl)cc2Cl)CC1 7447186 QMCDTDUWKNVRBJ-UHFFFAOYSA-N 315.244 3.342 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccccc2)c1C 7549725 HIRQQVAZTRQTFL-CYBMUJFWSA-N 313.353 3.262 0 40 DGAB CCc1cnc(CN(C)C(=O)Cc2noc3ccccc23)s1 81080710 JDTHWBDUFAQGOR-UHFFFAOYSA-N 315.398 3.048 0 40 DGAB O=C(COc1cccc(F)c1)NCCc1cccc(Cl)c1 7885422 JAQHGPHVBICAMI-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB CC[C@@H](NC(=O)c1ccc(C(=O)O)cc1)c1ncc(C)s1 96479824 GOKTZAFKXZIKNI-GFCCVEGCSA-N 304.371 3.031 0 40 DGAB O=c1c2ccccc2cnn1CCOc1ccccc1Cl 8240888 SXTWUXGUJUNZRZ-UHFFFAOYSA-N 300.745 3.129 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N[C@H](CC(C)C)c1ccccc1 8516983 OGVZZOKFRODUHU-OAHLLOKOSA-N 322.430 3.357 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 69810608 YCTFHGWFYXITBN-INIZCTEOSA-N 322.412 3.079 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)o1 22246113 ALSZFQQAWCIOQR-ABAIWWIYSA-N 323.389 3.363 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@@H](O)C1)c1csc2ccccc12 72268285 PPLXEVKGQCCOJF-VXGBXAGGSA-N 304.415 3.129 0 40 DGAB CC1CCN(C(=O)[C@H](C)N2CCCc3ccccc3C2)CC1 95951127 ZHSQEGBMBPKJBB-INIZCTEOSA-N 300.446 3.082 0 40 DGAB CCSc1ccccc1NC(=O)NC[C@](C)(O)c1ccco1 76069641 GZQOCYIKGDQPKC-INIZCTEOSA-N 320.414 3.421 0 40 DGAB CO[C@@H](C(=O)NCCSc1ccccc1)c1ccccc1 61044509 UJYIGBLZQSWXTE-MRXNPFEDSA-N 301.411 3.283 0 40 DGAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccccc3F)C2)s1 23140586 BZIHFMOYSSZCNX-LLVKDONJSA-N 305.378 3.005 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](c3nnc(C)s3)C2)cc1 38666517 DNWVDIYHPJWJDE-AWEZNQCLSA-N 301.415 3.175 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H]([C@@H](O)c2ccccc2)COC1(C)C 33798546 WLNSEHZFRWNFFR-KGLIPLIRSA-N 307.390 3.092 0 40 DGAB Cc1cnc(C(=O)N2CCS[C@H](c3cccs3)CC2)cn1 219522480 ZLKYZAFCGMUSGM-AWEZNQCLSA-N 319.455 3.167 0 40 DGAB CC(C)n1cc(CNC(=O)c2cc3ccccc3s2)nn1 557031020 TWRVCKJNXKODJA-UHFFFAOYSA-N 300.387 3.004 0 40 DGAB O=c1c2ccc(F)cc2ncn1[C@@H]1CCc2ccccc2N=C1O 36358909 BJPMREACGJBOKI-MRXNPFEDSA-N 323.327 3.311 0 40 DGAB CCC(=O)Nc1ccccc1N1CCN(c2ccccc2)CC1 35314926 JMRLVAKFCABNEI-UHFFFAOYSA-N 309.413 3.362 0 40 DGAB OCC[C@H](Nc1nccc(C(F)(F)F)n1)c1cccs1 77236132 ATYOPHUXRGKHML-QMMMGPOBSA-N 303.309 3.093 0 40 DGAB CCCSc1nnc(NC(=O)COc2ccccc2C)s1 39989111 OTAZWTVLXYQZFJ-UHFFFAOYSA-N 323.443 3.366 0 40 DGAB CC(C)N1CCC[C@@H](c2nccnc2Nc2nccs2)C1 72364729 GRRZYFMLRPBDII-GFCCVEGCSA-N 303.435 3.265 0 40 DGAB Brc1ccc(-c2nc([C@H]3CCCCN3)no2)cc1 40443335 VRYMDAKGUVNNDJ-LLVKDONJSA-N 308.179 3.314 0 40 DGAB CN(CC(=O)Nc1ccccc1F)C(=O)OCc1ccccc1 191159461 PIXZNDMTXIUOOF-UHFFFAOYSA-N 316.332 3.033 0 40 DGAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1ncc(-c2ccccc2)o1 530180331 XSVSFGBKWQPMBW-CHWSQXEVSA-N 314.385 3.415 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1ccc(Cl)cc1F 225633480 YFFKWMLFZOAUAJ-ZHMYYEFOSA-N 305.736 3.181 0 40 DGAB Cc1ccc(CN2CC[C@]3(CCN(c4cccnc4)C3=O)C2)cc1 96159506 KQHVBKYZIKLJGD-FQEVSTJZSA-N 321.424 3.019 0 40 DGAB O=C(NCC1(Sc2ccccc2)CCOCC1)c1ccco1 96118996 LQXDKGIREDUPFL-UHFFFAOYSA-N 317.410 3.351 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@H](O)c2ccccc2)cc1 80160800 VFFOIXKSDVUWIK-KRWDZBQOSA-N 314.385 3.331 0 40 DGAB CC(=O)Nc1ccccc1CNC(=O)N1CCC[C@H]2CCC[C@@H]21 95404715 CFENIGGUVJLTGR-PBHICJAKSA-N 315.417 3.119 0 40 DGAB CC[C@@H]([C@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96519460 ILVSTMBVXONYCK-DLBZAZTESA-N 304.411 3.210 0 40 DGAB CCO[C@@H]1C[C@H](N[C@@H]2CCCn3nc(C(C)C)nc32)C12CCC2 96493441 ONUHLDHJDIIEAH-QLFBSQMISA-N 318.465 3.174 0 40 DGAB COC(=O)[C@H](C)Cc1ccc(NC(=O)c2scnc2C)cc1 97376313 KCGLGWOYRBSVGT-SNVBAGLBSA-N 318.398 3.055 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)C1CCOCC1 96493014 RKYMCEBMNKKYFN-UHFFFAOYSA-N 321.380 3.391 0 40 DGAB Cc1cn(-c2ccc3cc(-c4ccccc4)c(=O)oc3c2)nn1 93571276 MCXLJDCAKIJWNW-UHFFFAOYSA-N 303.321 3.349 0 40 DGAB CCOC[C@H]1CCC2(CCN(Cc3ccsc3)CC2)N1C 96216232 UFAJMXHXEJEEKO-MRXNPFEDSA-N 308.491 3.213 0 40 DGAB CCS[C@H]1CCC[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1F 96450468 RFAZMOABHZHMFR-GJZGRUSLSA-N 324.421 3.188 0 40 DGAB Cc1c(CN2CCC(Cc3cnc4[nH]ccc4c3)CC2)cnn1C 257264391 LUDSCLMMJMDYRJ-UHFFFAOYSA-N 323.444 3.060 0 40 DGAB CCN(C)[C@H](c1ccccc1)c1nc(-c2ccc(OC)nc2)no1 252480694 CDATZKKYWBFUBH-MRXNPFEDSA-N 324.384 3.181 0 40 DGAB Cc1nccc([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257241236 HXGDWCXDRQSYDL-GOSISDBHSA-N 321.424 3.440 0 40 DGAB COc1c(F)cc(F)cc1C(=O)C(F)(F)Br 382677703 ZHBMCCPBHLWIRX-UHFFFAOYSA-N 301.033 3.144 0 40 DGAB O=C(NCCCN1CCCC1)c1cc(Cl)ccc1Cl 61547412 QNFIBZRLQPIDPW-UHFFFAOYSA-N 301.217 3.209 0 40 DGAB Cc1nc(C)c(CNC(=O)Nc2ccc3c(c2)CCCO3)s1 76070287 SKKGMMBOVPRRIZ-UHFFFAOYSA-N 317.414 3.407 0 40 DGAB C[C@@H](NC(=O)CSc1ccncc1)[C@H](C)c1ccccc1 78974539 JQEVLUHAOOXQGH-UONOGXRCSA-N 300.427 3.482 0 40 DGAB O=C(O)c1ccc2c(c1)CCN2C(=O)c1cccc(Cl)c1 13448492 HHPSHEOOFKXYHO-UHFFFAOYSA-N 301.729 3.241 0 40 DGAB Cc1ccc([C@]2(O)CC[C@H]3CN(C[C@@H]4CC=CCC4)C[C@H]32)nc1 19215965 ODRJXSCURGGIED-RMJJICAUSA-N 312.457 3.276 0 40 DGAB CSCCCNC(=S)N[C@@H]1CCSc2ccccc21 6543081 BCIZAHWUQZFPHC-GFCCVEGCSA-N 312.529 3.441 0 40 DGAB CCOC[C@@H]1CCC[C@@]12CN(C(=O)CC1=CCCCC1)CCO2 2055795992 GKZDYTYSKFNMMA-PKOBYXMFSA-N 321.461 3.311 0 40 DGAB COc1cc(C2=NN[C@@H](c3ccccc3)C2)cc(OC)c1OC 72408161 XMDQZLUKYFANOZ-CQSZACIVSA-N 312.369 3.151 0 40 DGAB COCCOc1ccc(NC(=O)c2ccc(Cl)s2)cn1 40086948 MFGQJAJLBRVZIQ-UHFFFAOYSA-N 312.778 3.074 0 40 DGAB O=C(c1ccccn1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 50379981 UNDWVCDIWLXVRY-MRXNPFEDSA-N 314.360 3.042 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100282255 YCGJFIWFNGHVKJ-QZTJIDSGSA-N 317.385 3.064 0 40 DGAB CCOc1cccc2c1OCC(C(=O)N[C@@H](C)c1ccccn1)=C2 40529644 RCIFFOCKNBNHBF-ZDUSSCGKSA-N 324.380 3.134 0 40 DGAB C[C@@H](C(=O)Nc1nc2c(s1)CCC2)n1cnc2ccccc21 31836267 ONQOQGBKWDQDLI-JTQLQIEISA-N 312.398 3.181 0 40 DGAB CCn1ccc2cc(NC(=O)[C@H](C)OC[C@H]3CCCO3)ccc21 51385723 HMCAIAZGYXSEPJ-XJKSGUPXSA-N 316.401 3.184 0 40 DGAB COc1ccc(CN(C)C(=O)c2sccc2C)cc1OC 21195740 BVTUMCRTYXWXCQ-UHFFFAOYSA-N 305.399 3.346 0 40 DGAB COc1ccc(OCc2cc(-c3ccccc3)no2)c(C(N)=O)c1 52108981 SVAOPLIWYDTAPX-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB CCCNC(=O)[C@@H](C)N1CC=C(c2c[nH]c3ccccc23)CC1 32769983 AYBAMBLDUNAVOS-CQSZACIVSA-N 311.429 3.172 0 40 DGAB COc1ccc(Oc2cc(CNc3ncccn3)ccn2)cc1 52427185 CJFQENYZXACTGX-UHFFFAOYSA-N 308.341 3.285 0 40 DGAB CCOC(=O)C1=C(C)N(CC(C)C)C(=O)N[C@@H]1c1ccccc1 32812811 RFRNMMZGMAQVBA-MRXNPFEDSA-N 316.401 3.246 0 40 DGAB Cc1cc(C)n(-c2ccc(CC(=O)Nc3ccccn3)cc2)n1 32930911 XYBHVQTYIVNIMK-UHFFFAOYSA-N 306.369 3.065 0 40 DGAB c1ccc(CNc2ncnc3c2cnn3-c2ccccc2)cc1 346619 XAODGRCKBVFBPM-UHFFFAOYSA-N 301.353 3.428 0 40 DGAB CCOc1c(Br)cc(CO)cc1Br 479295 RQPLJYPPOHRPBV-UHFFFAOYSA-N 309.985 3.103 0 40 DGAB COc1cc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@H]2[C@@H]3C)ccc1O 519526 JVGXICUTXHMMNN-WIOUJZMWSA-N 318.413 3.299 0 40 DGAB Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)C(C)C 1353195 JNNNDWJUKPCYTJ-UHFFFAOYSA-N 303.387 3.298 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)c1ccnc2nc(-n3cccc3)nn12 1382946 UVYGAAMVVKXJTD-GFCCVEGCSA-N 323.331 3.194 0 40 DGAB Cc1ccccc1NC(=O)N1CCN(c2ccc(F)cc2)CC1 2532780 FUZKYNAEOLZSNO-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB CC(C)(C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 3324490 BLSUEBCYLXJBJO-UHFFFAOYSA-N 315.744 3.436 0 40 DGAB COC(=O)c1ccc(COc2ncnc3sccc23)cc1 3352632 ISJKGLTUURFOAJ-UHFFFAOYSA-N 300.339 3.057 0 40 DGAB CCCNC(=O)NC(=O)CSc1cccc(C(F)(F)F)c1 3473888 JPOBIYHWORJUCV-UHFFFAOYSA-N 320.336 3.033 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCc2ccc(Cl)cc2)C1 3865259 KSBZZJRLSSHLLD-CPUCHLNUSA-N 311.853 3.195 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)c2cccc(C)c2)o1 4329719 YPTUVAWMNYBNQQ-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CCC[C@H]12 4915143 IFPVUKHPSCVJEK-AWEZNQCLSA-N 303.789 3.173 0 40 DGAB COc1ccc(-n2nnc(C(=O)Nc3cccc(C)c3)c2C)cc1 4938441 YVJNAUAREQWMGY-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CC(C)Oc1cc(-n2nnnc2S)c(Cl)cc1Cl 5384522 WMLNYMRAQDNGKX-UHFFFAOYSA-N 305.190 3.045 0 40 DGAB CC(=O)NC[C@@H](OC(C)=O)c1ccc2c(c1)[nH]c1ccccc12 5431372 ISRQKQYGYHEDAN-GOSISDBHSA-N 310.353 3.061 0 40 DGAB COc1cccc(C(=O)Nc2ccc(N3CCCCC3=O)cc2)c1 5441230 KHAKUXTYPOGCHK-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB O=C(OC1CCCCC1)C1=NN(c2ccccc2)C(=O)CC1 5576305 MPMZVVOWLSOBAK-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB O=S(=O)(Nc1ccc2cn[nH]c2c1)c1ccc(Cl)s1 5827278 HUMQVNPSOFYCGX-UHFFFAOYSA-N 313.791 3.079 0 40 DGAB O=c1c(-c2ccc3ccccc3n2)coc2cc(O)cc(O)c12 5927641 HZPUWWOFRAOANA-UHFFFAOYSA-N 305.289 3.419 0 40 DGAB biogenic Cc1c(C(=O)N[C@H](C)c2ccccc2)cnn1-c1ccccn1 8715116 QUZURXLKSOKUHP-CYBMUJFWSA-N 306.369 3.067 0 40 DGAB COc1ccc(CC(=O)Nc2nnc(C(C)(C)C)s2)cc1 8738597 UQFLSNVVNAUKSU-UHFFFAOYSA-N 305.403 3.025 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NCCCCc1ccccc1 9235021 AHRGTYZFHIDXBP-UHFFFAOYSA-N 324.424 3.327 0 40 DGAB O=C(CN1CCc2sccc2C1)Nc1cccc2ncccc12 10093007 AUBKZIWVPZZPCL-UHFFFAOYSA-N 323.421 3.293 0 40 DGAB NC(=O)[C@H](Sc1nccn1Cc1ccccc1)c1ccccc1 10270845 OZUGBQZNOYPQKC-MRXNPFEDSA-N 323.421 3.250 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)Nn1cnc2ccccc21 10403655 URVIXQVDZCATST-GFCCVEGCSA-N 310.357 3.059 0 40 DGAB Cn1c(=O)n(C)c2cc(CNC3CCCCCCC3)ccc21 10434516 LEXDQADUQMWJSV-UHFFFAOYSA-N 301.434 3.080 0 40 DGAB O=C(CCNC(=O)c1ccccc1)NC1CCCCCCC1 10474151 IRLZPVYZHCMAEX-UHFFFAOYSA-N 302.418 3.036 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3ccccn3)cs2)cc1 12534075 VQBMFLJPPNKGRB-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CC(=O)c1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 12561886 PGYDYLQOGQVXNH-GOSISDBHSA-N 308.381 3.321 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1ccsc1 13011214 GCGZPEPWCRJVBJ-CQSZACIVSA-N 308.834 3.434 0 40 DGAB O=C(COc1ccccc1C(=O)O)Nc1ccc(Cl)cc1 13080200 CGXOCYAQXDFKOT-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1ccc(CNC(=O)Cn2cnc3cc(C)c(C)cc32)cc1 14360956 OAWREYLHSDRQKA-UHFFFAOYSA-N 307.397 3.278 0 40 DGAB Cc1ccc(Cc2c(O)nc3nc4ccccc4n3c2O)cc1 18240676 MHYZRTBKHIUFJD-UHFFFAOYSA-N 305.337 3.193 0 40 DGAB COc1ccc(SCC(=O)NCc2ccccc2)cc1OC 20111813 SWEPWSHHAJWHAY-UHFFFAOYSA-N 317.410 3.112 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)Nc1ccc2scnc2c1 21000982 BJACQXWVZGFSBW-UHFFFAOYSA-N 312.350 3.206 0 40 DGAB Cc1cc(NC(=O)NC[C@@H](c2cccs2)N2CCCC2)no1 21835792 AGBYJSJTRGZXFO-LBPRGKRZSA-N 320.418 3.003 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)c2coc(C)n2)cc1 22538439 RNKZFNMAIJDNIA-UHFFFAOYSA-N 302.330 3.192 0 40 DGAB Cc1nnc(NCc2ccc(-n3cccn3)nc2)c2ccccc12 25005993 SGNYYPODZLWVHF-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB CCCNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 25425414 KHTDGBRNKHAQSS-KRWDZBQOSA-N 310.397 3.074 0 40 DGAB Cc1nn(C)c2nc(-c3ccccc3)cc(C(=O)NCC3CC3)c12 27469511 IBNSSCWXLAQVBB-UHFFFAOYSA-N 320.396 3.084 0 40 DGAB Cc1ccn(-c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)n1 28242518 JPRPLYUVCJDNND-UHFFFAOYSA-N 321.336 3.162 0 40 DGAB Cc1nc2ccc(NCC(=O)NCc3cccs3)cc2s1 39978280 GYBSUSIRMJAQFP-UHFFFAOYSA-N 317.439 3.395 0 40 DGAB CCOc1ccc(CN(CC)C(=O)c2ccoc2)cc1OC 40475450 DCUDUAWPRIZWEM-UHFFFAOYSA-N 303.358 3.349 0 40 DGAB COc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)cc2C)cc1 40525357 MEVWIAWWISTLNL-KRWDZBQOSA-N 314.385 3.167 0 40 DGAB CCn1c(C(=O)Nc2c(C)nn(C)c2C)cc2sccc21 40786533 BEVZADHSZRZIFI-UHFFFAOYSA-N 302.403 3.325 0 40 DGAB Cc1nc(NC(=O)c2cc(-c3cccs3)nn2C)sc1C 42384179 PSQGLTUJRJZLFP-UHFFFAOYSA-N 318.427 3.474 0 40 DGAB C[C@@H](NC(=O)NC[C@@H](c1ccco1)N(C)C)c1cccs1 44891223 KRTZRIUOMAYMIZ-NEPJUHHUSA-N 307.419 3.004 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCc2ccccc2)C1 47416250 PVDZAGUHQXXYCC-IRXDYDNUSA-N 302.462 3.103 0 40 DGAB CCc1ccc(CCC(=O)N[C@H](C)c2nnc3ccccn23)cc1 48374483 ACOVBKDPJSFCPA-CQSZACIVSA-N 322.412 3.102 0 40 DGAB O=C(NCc1ccccc1F)[C@@H]1CCCN1Cc1ccccc1 50025811 YRBWJMWUCBANOI-SFHVURJKSA-N 312.388 3.107 0 40 DGAB COC(=O)c1cccc(NC(=O)Nc2cc(F)ccc2F)c1 51354416 XTDZUXNRLVBECY-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB C[C@@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@H]2C[C@@H]1C2(C)C 58803180 OGHLSNKDEIODIH-NEBZKDRISA-N 302.418 3.375 0 40 DGAB COc1ccccc1Cc1nnc(SC[C@@H]2CCCCO2)o1 66260312 YHQBTZRCFYGFKF-ZDUSSCGKSA-N 320.414 3.330 0 40 DGAB CCOc1ccc(Cl)c(C(=O)Nc2ccnn2C(C)C)n1 68234995 KYPYWNDIXRZVSP-UHFFFAOYSA-N 308.769 3.163 0 40 DGAB CCCC(=O)N1CCC[C@H]1C(=O)NCC[C@H](C)c1ccccc1 69414357 WFFCNRVIHMKZLA-RDJZCZTQSA-N 316.445 3.088 0 40 DGAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)cc1Cl 69538211 LOPJHECNSTYGOW-AYLIAGHASA-N 322.257 3.157 0 40 DGAB NC(=O)c1ccc(C(=O)N2CCCC[C@H]2Cc2ccccc2)cc1 69708496 PXIIEPMIQWFUHT-SFHVURJKSA-N 322.408 3.023 0 40 DGAB O=C(NCc1csc(C2CC2)n1)c1c[nH]nc1-c1ccccc1 69972629 HUUDKDUFGRHTDZ-UHFFFAOYSA-N 324.409 3.341 0 40 DGAB COC[C@H]1CCCN(C(=O)Nc2cccc(-n3cccc3)c2)C1 71904966 HBSOQTMZABKJMT-HNNXBMFYSA-N 313.401 3.368 0 40 DGAB Cc1noc([C@H]2CCCN(CCOC3CCCCCC3)C2)n1 71913994 YRIZNEVUCZYBTM-HNNXBMFYSA-N 307.438 3.297 0 40 DGAB COc1c([C@@H]2CCCN2c2nc3ccccc3o2)c(C)nn1C 72276573 WQJIJBMXFCPJRD-ZDUSSCGKSA-N 312.373 3.220 0 40 DGAB O=C(C[C@H](Cc1ccccc1)c1ccccc1)N1CCC(O)CC1 72297115 YBKADOIJKCEEEF-IBGZPJMESA-N 323.436 3.386 0 40 DGAB Cc1ccnc([C@@]2(C)CCCN2C(=O)Cc2ccc(F)cc2)n1 72388548 ZZQWRPIWUNFQDS-GOSISDBHSA-N 313.376 3.004 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2oc3ccccc3c2C)c(=O)[nH]1 75121154 FXHCNBGBSKHHFZ-GFCCVEGCSA-N 310.353 3.229 0 40 DGAB CN(C)c1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1 78718523 BVSXQRVDWIYFNJ-UHFFFAOYSA-N 319.408 3.473 0 40 DGAB COc1ccc(/C=C/C(=O)c2csc(C(=O)O)c2)cc1O 83957457 BYVVBZYGKHKUSM-DUXPYHPUSA-N 304.323 3.057 0 40 DGAB Cc1ccccc1OCCn1cc(C(N)=O)c(-c2ccccc2)n1 84247624 OWGFABMZCLPBKJ-UHFFFAOYSA-N 321.380 3.036 0 40 DGAB Cc1cc(N[C@H]2CC3(CCC3)Oc3ccccc32)n2ncnc2n1 89598865 NHXSCYCTAZXYNW-AWEZNQCLSA-N 321.384 3.291 0 40 DGAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2ccco2)sc1C 91041454 MTCAGLMJEYQYBI-GFCCVEGCSA-N 311.428 3.484 0 40 DGAB CC(C)(C)n1cnnc1SCc1nc(-c2cccs2)n[nH]1 93904024 FSTSEGRNCZMSNH-UHFFFAOYSA-N 320.447 3.172 0 40 DGAB CCOc1cc(Cl)ccc1CN[C@H](C(N)=O)c1ccccc1 95435012 KSJSDYDDPPHQGV-INIZCTEOSA-N 318.804 3.055 0 40 DGAB Cc1cc(F)ccc1[C@H](O)CN1CCN(C)c2ccccc2C1 95963073 GJWWFYNVIQYYGZ-LJQANCHMSA-N 314.404 3.120 0 40 DGAB CO[C@@H](CNC(=O)c1ccc2ncsc2c1)c1ccsc1 96120624 WJKSHCNPXGPBSO-ZDUSSCGKSA-N 318.423 3.475 0 40 DGAB O=C(c1ccco1)N1CC2(CCNCC2)c2cc(Cl)ccc21 96161073 AZSNCQLMLNJFPG-UHFFFAOYSA-N 316.788 3.215 0 40 DGAB CCN(Cc1ccc(C(=O)NC)cc1)[C@@H](C)c1cccc(O)c1 96455325 FMCKUNBRQUSXCU-AWEZNQCLSA-N 312.413 3.335 0 40 DGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccc(C)cc1 96659156 FLEQGWOCYNTDMY-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB COc1ccccc1[C@H](N[C@@H](C)c1ccccn1)c1noc(C)n1 97037755 GTYFVQRKZWIVAB-SJCJKPOMSA-N 324.384 3.222 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@@H](C)C[C@@H](O)c3ccco3)c2c1 97059816 RYZXCOUCZUMCLL-BLLLJJGKSA-N 312.369 3.311 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)N[C@H](C)[C@@H]2CCCO2)c1 106567768 GSOJEYLHXCPHIS-COXVUDFISA-N 318.417 3.109 0 40 DGAB Fc1cccc(Nc2ccc3nc(C4CCNCC4)nn3c2)c1 107497258 QWLPKIXMVUBOFQ-UHFFFAOYSA-N 311.364 3.079 0 40 DGAB O=C(CCCOc1ccccc1)NCCOCc1ccccc1 177060800 MOZMAESUQNGSJI-UHFFFAOYSA-N 313.397 3.179 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)c1cccc(N)c1 178473067 IFTDKIUZQSODLG-KRWDZBQOSA-N 310.397 3.125 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCCC[C@@H]2C)nc1 223878514 ZYDQGUXCXQISTA-ZDUSSCGKSA-N 306.479 3.403 0 40 DGAB COc1cccc(CCCNC(=O)c2ccc(OC)c(C)c2)c1 224570303 WPVYNGSVRTZXMD-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB C[C@H](Sc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)C(=O)O 224974267 XWJBGAYLAPGODF-YFKPBYRVSA-N 318.185 3.344 0 40 DGAB COc1ccc2cc(S(=O)(=O)NC3CCCC3)ccc2c1 225829545 PLXKIHWCUUDDNN-UHFFFAOYSA-N 305.399 3.069 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 257256488 KLRSYXBBCKEPKN-CYBMUJFWSA-N 316.405 3.126 0 40 DGAB CC(C)n1ncnc1CSc1nc2cc(Cl)cnc2[nH]1 278700878 NKNIVYIOCNKIDM-UHFFFAOYSA-N 308.798 3.076 0 40 DGAB CN(C(=O)OC(C)(C)C)C(=O)c1ccccc1Br 575440324 JHQBYTMWKASNBV-UHFFFAOYSA-N 314.179 3.456 0 40 DGAB COc1ccccc1CC(=O)NCc1cncc(-c2ccoc2)c1 575620706 PLHORACKCWEKCA-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O 583619501 TVROORONARXZFH-KURKYZTESA-N 305.466 3.370 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1cccc(F)c1)CC2 585104283 GREBRLIPQFWZSQ-INIZCTEOSA-N 307.409 3.233 0 40 DGAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2ccsc2)C3)c1 585105474 XGAQHDYDPRTUSL-OAHLLOKOSA-N 318.467 3.282 0 40 DGAB COc1ccc([C@@H](C)[C@H](C)NC(=O)c2cc(OC)ns2)cc1 585123516 YPLBKADLWADYGS-QWRGUYRKSA-N 320.414 3.082 0 40 DGAB COc1cccc([C@@H]2C[C@@H]3CN(Cc4ccccc4)C(=O)[C@H]32)c1 585138390 MJMAYUJVLPINSO-NZSAHSFTSA-N 307.393 3.457 0 40 DGAB O=S(=O)(CCc1ccccc1)N1CC[C@H](c2cccs2)C1 828388684 WXNATBUFJQPAKI-HNNXBMFYSA-N 321.467 3.110 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCCC[C@@H]1c1ccccc1 1567298485 MAQYKUPLJVBUBZ-QGZVFWFLSA-N 320.396 3.185 0 40 DGAB Cc1cnc(C)c(OC2CCN(Cc3ccc(F)cc3)CC2)n1 2087136680 KZAXBULNYPJOCH-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB CC(=O)Oc1cc2oc(=O)cc(C)c2cc1C(=O)c1ccccc1 485664 CVXSNALIXNIOSR-UHFFFAOYSA-N 322.316 3.258 0 40 DGAB biogenic COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1C 1922128 HGOZCPOUQUNOTF-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB O[C@@H](CNCc1ccccc1Cl)COc1ccc(F)cc1 3265493 QZZDYSMUPQAWBP-AWEZNQCLSA-N 309.768 3.009 0 40 DGAB CC(C)N(C(=O)COC(=O)c1c(F)cccc1Cl)C(C)C 3287932 UAUAJXBRADDBPO-UHFFFAOYSA-N 315.772 3.281 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 3337479 SDUIGRKHNCDYNF-DMDPSCGWSA-N 306.431 3.179 0 40 DGAB COc1cc(CO)cc(Cl)c1OCc1ccc(C(=O)O)cc1 4124861 IAPDVZKNNCPCRB-UHFFFAOYSA-N 322.744 3.118 0 40 DGAB Cn1cc(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21 4901628 ZUOTTXYJPPDEQI-UHFFFAOYSA-N 322.364 3.131 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(C)cc2C)cc1 7052378 PKMGRSQSUXOACT-UHFFFAOYSA-N 303.383 3.307 0 40 DGAB O=C(NCc1ccccc1)[C@H]1COc2ccc(Cl)cc2C1 7070764 YGRNYVCTHSOTML-CQSZACIVSA-N 301.773 3.208 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1OC 8132530 FWVDPXWPAMUZLI-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB CCc1c(C(=O)Nc2cccc(OC)c2)cnn1-c1ccccn1 8715206 XWQUPBQSPPWWEU-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB O=C(Nc1ccc(-n2cnc3ccccc32)cc1)c1cnccn1 10427338 ZHOVRMXHAHJTDG-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB O=C(CNC(=O)c1csc2c1CCCC2)c1cccs1 12292967 PAPDHBSBWRHYDN-UHFFFAOYSA-N 305.424 3.301 0 40 DGAB CC(=O)N1CCc2cc(N[C@@H](C)C(=O)Nc3ccccc3)ccc21 12561976 CJNSAXZKXNBCHG-ZDUSSCGKSA-N 323.396 3.035 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(OC(F)F)cc1 12952038 VPAZFCDYTBETCC-UHFFFAOYSA-N 310.325 3.486 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)N[C@@H](C)c2cccs2)no1 13010464 CEMBKFZTSNFMHJ-GXTWGEPZSA-N 319.430 3.059 0 40 DGAB COc1ccc2c(c1OC)O[C@H]1c3ccc(O)cc3OC[C@H]21 14820584 UOVGCLXUTLXAEC-DOMZBBRYSA-N 300.310 3.019 0 40 DGAB endogenous,in-man CCOc1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14898350 OHEBVEBEYHKWMI-UHFFFAOYSA-N 324.384 3.236 0 40 DGAB Cc1nc(CNC(=O)c2ccc(Br)cc2)cs1 15832162 TULPLKDLUNIVPW-UHFFFAOYSA-N 311.204 3.144 0 40 DGAB COc1ccc(CCS[C@@H](C)C(=O)Nc2cc(C)on2)cc1 16701982 APYXINMTPKMFET-LBPRGKRZSA-N 320.414 3.295 0 40 DGAB CCCCC1CCC(C(=O)Nc2nnc3n2CCS3)CC1 17269924 BGYWMBWLMQDYDH-UHFFFAOYSA-N 308.451 3.319 0 40 DGAB Cc1cc(C)c2nc3c(cc2c1)CN(C[C@@H]1CCCO1)C(=O)O3 19568326 ORAWMJXSQOCFJY-HNNXBMFYSA-N 312.369 3.345 0 40 DGAB Cc1ncc(C(=O)Nc2ccccc2Br)c(C)n1 19936953 SHIRTGOFHIJDCU-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB Cc1ccccc1[C@H](CC(=O)N[C@H](C)CCC(C)C)NC(N)=O 24463451 IZYCTHVDERCFIX-ZBFHGGJFSA-N 319.449 3.035 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)NCc1cc(F)cc(F)c1 24772632 FSEANYQMQWDBQP-GFCCVEGCSA-N 305.324 3.186 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)CCCC(C)C)c(O)c1 27261549 OIMXRXUZTKOYKU-AWEZNQCLSA-N 321.417 3.188 0 40 DGAB CCc1ccc(OCC(=O)NCC2(N(C)C)CCCCC2)cc1 27579799 GLBDRGVRJMFBSX-UHFFFAOYSA-N 318.461 3.009 0 40 DGAB Cc1ccnc(NC(=O)[C@@H]2COc3ccc(Cl)cc3C2)c1 27649246 SOWVHSCTAYAXQK-LBPRGKRZSA-N 302.761 3.233 0 40 DGAB Cc1nn(Cc2cccc(F)c2)c(C)c1NC(=O)C1CCC1 27922423 KSSOZZPPLJNEIY-UHFFFAOYSA-N 301.365 3.426 0 40 DGAB Cc1cccc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)n1 28195011 AMVIOAYTGYXMLN-UHFFFAOYSA-N 300.406 3.041 0 40 DGAB Cc1ccc(Cn2cccc/c2=N\C(=O)c2ccoc2C)cc1 29386472 HQHGKYGGARGEKL-CZIZESTLSA-N 306.365 3.487 0 40 DGAB C[C@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccccc1Cl 35135254 JMTNMARHLIFJJE-DRZSPHRISA-N 307.777 3.184 0 40 DGAB COc1ccc(CCNC(=O)c2cccc3c2ccn3C)cc1 36370067 QGKBFLYNQRAVCR-UHFFFAOYSA-N 308.381 3.159 0 40 DGAB biogenic C[C@@](NC(=O)Nc1cc(Cl)ccc1Cl)(C(=O)O)C1CC1 36750224 JTGQOMRKHAHSBY-ZDUSSCGKSA-N 317.172 3.368 0 40 DGAB CC(C)(C)CC(=O)N1CCN(Cc2ccc(Cl)s2)CC1 40162112 AJOIZRMUGSFPSU-UHFFFAOYSA-N 314.882 3.482 0 40 DGAB CCCc1noc([C@H]2CCCN(C(=O)C3CCCCC3)C2)n1 41122435 CJJUCBXTAIDSMB-AWEZNQCLSA-N 305.422 3.308 0 40 DGAB O=C(c1ccccc1Cl)c1ccccc1CN1CCOCC1 43211465 DPDLMHUVDAUGGY-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB Cc1nc(CN[C@@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 44949438 BEOIVQVTMUOZQJ-JTQLQIEISA-N 301.415 3.187 0 40 DGAB Cc1cc(NC(=O)N2CCC(N(C)c3ccccc3)CC2)no1 50076761 JQRXWPHHZBXTMA-UHFFFAOYSA-N 314.389 3.116 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)N(C)c1ccc(F)cc1 55750776 YYFMSMACTOAQJS-BDJLRTHQSA-N 301.317 3.017 0 40 DGAB O=C(Nc1cccnc1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 56352184 QNNUGSCXVYUKJG-JKSUJKDBSA-N 315.348 3.263 0 40 DGAB CCn1ncc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1C 57810976 UTDXRCOBSQWBFH-LJQANCHMSA-N 313.445 3.393 0 40 DGAB O=C(NC1CCN(Cc2ccccc2F)CC1)C1CCCCC1 58178556 AQBVKNUHFHTZTE-UHFFFAOYSA-N 318.436 3.487 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1cc2cc(Cl)ccc2[nH]1 58244603 LMMLBILOQUJEDR-NSHDSACASA-N 306.793 3.320 0 40 DGAB Oc1nncc(N2CCC(Cc3ccc(F)cc3)CC2)c1Cl 58342445 BZQDTBAKBXBNQS-UHFFFAOYSA-N 321.783 3.434 0 40 DGAB COc1c(CN[C@H]2CCc3c(Cl)cccc32)c(C)nn1C 58411958 RPUVPKRIRFLKJW-HNNXBMFYSA-N 305.809 3.168 0 40 DGAB Cc1cc(OCC(=O)N2C[C@@H](C)OC(C)(C)C2)ccc1Cl 65607225 VHOXNWBAKGTZLX-GFCCVEGCSA-N 311.809 3.053 0 40 DGAB COc1ccccc1CN(C(=O)c1c[nH]c2ncccc12)C1CC1 65793447 ZPBYGLSLAYFUNS-UHFFFAOYSA-N 321.380 3.376 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)Cc2cccs2)cc1 69584858 WYAMREYMSGKJBO-ZDUSSCGKSA-N 303.427 3.389 0 40 DGAB COCCOc1cc(NC(=O)N[C@H]2CCC[C@H]2C)ccc1OC 69591310 JRGVQYQGYRCRBJ-OCCSQVGLSA-N 322.405 3.031 0 40 DGAB CC[C@@H](C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1 69632680 LBJOTSIMOHVTCI-AUUYWEPGSA-N 324.424 3.483 0 40 DGAB COc1ccccc1C(C)(C)NCc1nnc(SC)s1 69771736 PCIMTSUJYSMTJG-UHFFFAOYSA-N 309.460 3.294 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)CCc2cccs2)C1 69930119 ZSAROYUKMKBRHK-AWEZNQCLSA-N 303.431 3.049 0 40 DGAB CCSc1ccccc1C(=O)NC[C@@H](O)Cc1ccccc1 70639242 YYVMBCJXGNXXRR-HNNXBMFYSA-N 315.438 3.132 0 40 DGAB COc1ccccc1[C@@H](NC(=O)CCC(C)C)c1noc(C)n1 70982384 NDUWVGCSBPAHDE-MRXNPFEDSA-N 317.389 3.028 0 40 DGAB OCc1ccc(Cl)c(NCc2nc(-c3ccoc3)no2)c1 71858777 ZOEHSAAMYHOQOJ-UHFFFAOYSA-N 305.721 3.087 0 40 DGAB CC1(C)CC(NC(=O)c2ccnc3ccccc23)CC(C)(C)N1 73411096 WYBHXPMMMPJGBO-UHFFFAOYSA-N 311.429 3.274 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)c1nccs1 73439927 OUTHXFZEMYFVKP-SSDOTTSWSA-N 305.384 3.438 0 40 DGAB CC(C)c1nccn1CCC(=O)N1CCc2ccccc2CC1 73762185 HHLZVVWIGXFCKR-UHFFFAOYSA-N 311.429 3.024 0 40 DGAB CC(=O)c1c(F)cccc1NC[C@@H](O)c1ccc(F)c(F)c1 75667887 PSMUZYLMXPRODZ-OAHLLOKOSA-N 309.287 3.452 0 40 DGAB CC[C@H]1CCCC[C@@H]1N(C)C(=O)CN(C)C(=O)c1ccsc1 79097817 DKTNZZLEUCZRSQ-ZFWWWQNUSA-N 322.474 3.247 0 40 DGAB Cc1cc(C)nc(NCCC(=O)Nc2ccc3[nH]ccc3c2)n1 79502708 SYCONUMTEWNRDJ-UHFFFAOYSA-N 309.373 3.015 0 40 DGAB O=C(c1ncncc1Cl)N1CCSC2(CCCCC2)C1 79976298 RACGSEBIXIBDMY-UHFFFAOYSA-N 311.838 3.022 0 40 DGAB CC(=O)N1CCC(CCN[C@H](c2ccccc2)C2CC2)CC1 91369556 HNYRWLUBFOZVGR-LJQANCHMSA-N 300.446 3.376 0 40 DGAB C[C@H](CC(=O)c1ccco1)NC(=O)[C@@H]1CCCc2ccccc21 95413767 RIBIRRSJWMUGOI-CZUORRHYSA-N 311.381 3.477 0 40 DGAB Cc1nc(CCN[C@H](Cc2ccncc2)C(F)(F)F)cs1 95419984 UCIBAHGSHWWONB-CYBMUJFWSA-N 315.364 3.152 0 40 DGAB O=C(NC1CCCCCC1)N[C@H]1CCO[C@@]2(CCSC2)C1 95426853 VVSVMOWNXVDSFO-HOCLYGCPSA-N 312.479 3.063 0 40 DGAB CC(C)S(=O)(=O)Cc1ccc(NCc2cscn2)cc1 95428921 QDSHQDWFKWVVMS-UHFFFAOYSA-N 310.444 3.078 0 40 DGAB Cc1cccc(OC[C@@H](O)CNC(C)(C)c2nc(C)cs2)c1 95431991 GOKOZUOZEWELDJ-AWEZNQCLSA-N 320.458 3.025 0 40 DGAB CCOC[C@H]1COCCC12CCN(Cc1ccccc1)CC2 96209264 RSUWJLSLVOVJAW-SFHVURJKSA-N 303.446 3.342 0 40 DGAB CC[C@H](NC(=O)NCCc1cccnc1)c1cc(F)ccc1F 96419856 SOZFWPBNSDHVNN-INIZCTEOSA-N 319.355 3.353 0 40 DGAB O=C(NCCc1cccnc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1 96419860 DQDIIWMBOQYMNV-JKSUJKDBSA-N 315.804 3.133 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncccc2F)C1 96466748 ZQVHAQRESUZMCV-STQMWFEESA-N 323.412 3.350 0 40 DGAB Cc1ccc(-c2ncc(CN(C)C3CCC(N)CC3)s2)o1 97095589 PVEPHIDTSWVKDD-UHFFFAOYSA-N 305.447 3.413 0 40 DGAB C[C@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)C1CCOCC1 97377910 IAHNDYFCEOUIDT-GWCFXTLKSA-N 322.371 3.222 0 40 DGAB O=c1[nH]c(N[C@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccc12 97994981 FZEIKMFYOGLYDG-UWVGGRQHSA-N 311.307 3.456 0 40 DGAB COc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@H]2C3)CC1 101262949 UOKVAMYHHWWGJP-JENIJYKNSA-N 312.457 3.025 0 40 DGAB O[C@H]1C[C@@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1 106799944 BASSHEHFAYGWFG-RYUDHWBXSA-N 315.339 3.015 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@H](C)n2ccnc2)[C@@H]1c1ccccc1 110601722 GECUFRDUQANWNT-DZKIICNBSA-N 315.442 3.149 0 40 DGAB COC(=O)[C@@H](Sc1nnc[nH]1)c1ccc(Cl)c(Cl)c1 191484798 YSDVDBSOCXYZMR-VIFPVBQESA-N 318.185 3.118 0 40 DGAB O=C([C@H]1CCOC1)N(CCC(F)(F)F)Cc1ccccc1 191941215 BWTQZQKEZRHJBS-ZDUSSCGKSA-N 301.308 3.004 0 40 DGAB O=C(Cc1ccc(Br)cc1)N1[C@H]2C=CC[C@H]1CC2 208022268 UCSFNJITDSFDOV-KBPBESRZSA-N 306.203 3.311 0 40 DGAB COc1cccc(CCCNC(=O)c2ccc(OC)c(F)c2)c1 225392750 HADCFWRIPQZCAT-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB Cc1ccc(C(=O)Nc2cc(C)c3nc(NN)sc3c2)cc1 226309279 CBEGVBVDHKEVRN-UHFFFAOYSA-N 312.398 3.451 0 40 DGAB COc1cccc(C(=O)Nc2c(Cl)cc(N)cc2OC)c1 227147125 OJBVUKRKSGICOM-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)nc1 238822001 CWFFMQVGCPMOTN-HNNXBMFYSA-N 316.788 3.337 0 40 DGAB Nc1nccc([C@H]2CCCCN2Cc2c(F)cccc2F)n1 257223294 DWRTWLULERAVIT-OAHLLOKOSA-N 304.344 3.064 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccc(C)cc1 257311389 UJFNPOPHEUSLTF-AEFFLSMTSA-N 316.445 3.067 0 40 DGAB CCCNc1ccc(CNC(=O)N2CC[C@@H](OC)C[C@@H]2C)cc1 282427013 MHVWCXPEDHESBI-WMLDXEAASA-N 319.449 3.217 0 40 DGAB Cc1csc(CN[C@@H](CO)c2ccc(C(F)(F)F)cc2)n1 535368696 BCIARNTZSORFNL-LBPRGKRZSA-N 316.348 3.294 0 40 DGAB Cc1cnn(C[C@@H]2CN(C[C@@H]3CCCC(C)(C)C3)CCO2)c1 539836277 XSOJVJKCCBRDGI-SJORKVTESA-N 305.466 3.109 0 40 DGAB O=C(Cc1n[nH]c2ccccc12)N1CCc2cc(Cl)ccc21 553295473 BPSZGIAFILZKMB-UHFFFAOYSA-N 311.772 3.348 0 40 DGAB Cc1ccc(-c2noc(C[C@@H](O)Cc3ccccc3)n2)c(F)c1 581756004 ORRNKUJYNHBESB-AWEZNQCLSA-N 312.344 3.330 0 40 DGAB CN(C(=O)CCc1ccncc1)c1cc(C2CCCCC2)[nH]n1 584907089 URZFFJZGNPBMAX-UHFFFAOYSA-N 312.417 3.448 0 40 DGAB CC(=O)CCOCCCC(F)(F)C(F)(F)Br 1083807966 LJZVHBIABMRVBT-UHFFFAOYSA-N 309.097 3.385 0 40 DGAB CCOC(=O)NC1(Nc2ccc(C)cc2)Oc2ccccc2O1 45404 ITCRMCFLXLXMHC-UHFFFAOYSA-N 314.341 3.236 0 40 DGAB Cc1cccc(NC(=O)NC(C)(C(F)(F)F)C(F)(F)F)n1 369351 XDMYKQTYPUPYHM-UHFFFAOYSA-N 315.217 3.395 0 40 DGAB biogenic COc1ccc(-c2nnn(Cc3ccc(Cl)cc3)n2)cc1 411228 FAAROTJWRSITTG-UHFFFAOYSA-N 300.749 3.050 0 40 DGAB CCn1c(SCC(=O)c2ccc(OC)cc2)nnc1C(C)C 416678 RUJKEWGCHNXFIM-UHFFFAOYSA-N 319.430 3.405 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)c1c(F)cccc1F 1393163 KIRXYFVZSCVCBP-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB CC[C@@H](C)OC(=O)CCC(=O)Nc1nc2ccccc2s1 2749115 HRJVMOIQRIYHCK-SNVBAGLBSA-N 306.387 3.357 0 40 DGAB CC(C)c1cc(C(=O)OCC(=O)NC2CC2)c(O)c(C(C)C)c1 3536209 FJZRRCWWQWSOMB-UHFFFAOYSA-N 319.401 3.074 0 40 DGAB Cc1ccc(F)cc1NC(=O)COc1ncnc2ccccc12 3601837 OHQHYQVTXDLJTH-UHFFFAOYSA-N 311.316 3.095 0 40 DGAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCCCCC1 5046998 YNWMNHOJYFOXBK-KRWDZBQOSA-N 318.436 3.440 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C)s1 5111029 RGMUEEIFVHBLSD-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB O=C(C[C@H]1NC(=O)c2ccccc21)Nc1cccc(Cl)c1 5422348 SRKJUXWVCMWPSR-CQSZACIVSA-N 300.745 3.153 0 40 DGAB O=S1(=O)N=C(Nc2ccc3ccccc3c2)c2ccccc21 6277097 FDIUVUGFOXYZPU-UHFFFAOYSA-N 308.362 3.401 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2sc(C)nc2C)c1 6367295 XTOKOOJGPGWFKF-UHFFFAOYSA-N 318.398 3.172 0 40 DGAB CCOc1ccccc1C(=O)OCC(=O)Nc1cccc(F)c1 7508124 LQBUPRQDCSZVJO-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB c1coc(-c2nnc(CSc3nnc(-c4ccco4)o3)o2)c1 7564679 PDDPUEFCSBQJNE-UHFFFAOYSA-N 316.298 3.265 0 40 DGAB CCc1ccccc1NC(=O)CN(C)C(=O)c1ccccc1F 7596348 HDDONIUOIFJFHJ-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB C[C@H]1c2ccsc2CCN1CC(=O)Nc1ccc(F)cc1 7878227 FWWDBODAOYGROT-NSHDSACASA-N 304.390 3.445 0 40 DGAB Cc1c(F)cccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 8330418 YMPZARQESCHURE-CQSZACIVSA-N 322.380 3.472 0 40 DGAB CCc1ccccc1OCC(=O)N[C@@H](C)c1nc2ccccc2[nH]1 8393080 SBXVIRGCUCOYFQ-ZDUSSCGKSA-N 323.396 3.382 0 40 DGAB Cc1cc(C)n2nc(SC[C@H]3CC3(Cl)Cl)nc2n1 8938081 IUGHVTRHXBAGPF-MRVPVSSYSA-N 303.218 3.027 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)NC(=S)NCc1ccco1 9140901 SOLCDKCLUDLMJU-VMPITWQZSA-N 320.801 3.137 0 40 DGAB COc1ccc(-c2nnc3c4cc(F)ccc4ncn23)cc1OC 9531458 UOCPFOHEVMFOSA-UHFFFAOYSA-N 324.315 3.101 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cnn(Cc2ccccc2)c1 9690443 RCOPJVQUTMVQGL-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB O=C(Nc1ccnn1C1CCCC1)c1cnc2ccccc2n1 9908665 BHNRCRPHQPKPSY-UHFFFAOYSA-N 307.357 3.194 0 40 DGAB COc1ccccc1NC(=O)NCCCc1nc2ccccc2[nH]1 10260976 OZUYJFAETQGIMV-UHFFFAOYSA-N 324.384 3.326 0 40 DGAB C[C@H](NC(=O)Nn1cnc2ccccc21)c1ccc(F)c(F)c1 10402829 AXEXONSUIAUISU-JTQLQIEISA-N 316.311 3.329 0 40 DGAB CC[C@@H](CO)n1c(SCC(C)C)nc2ccccc2c1=O 11471655 KBAHIZKTGMAQEP-LBPRGKRZSA-N 306.431 3.088 0 40 DGAB C[C@@H](NC(=S)NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 13819663 YWUKMSOMQPWLIP-CDJLDAARSA-N 322.518 3.234 0 40 DGAB CCCC[C@@]1(C)NC(=S)N2N1C(=S)N[C@@]2(C)CCCC 18054511 RDNFFQNLAUZJTP-OKILXGFUSA-N 314.524 3.094 0 40 DGAB COc1ccc(C(=O)Nc2ccc(SCC(=O)O)cc2)cc1 18195136 HOPGLPRIKSWAMZ-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB CCN1CCC[C@@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 19527159 ZOWGRWZPCTZBBJ-HXUWFJFHSA-N 324.472 3.272 0 40 DGAB COc1cc(F)ccc1NC(=O)COc1ccc(C(C)=O)cc1 25312331 QASKWEMRVHNYGQ-UHFFFAOYSA-N 317.316 3.054 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2c(F)cccc2F)c1 26391724 KRWOHNFVBQCGDX-JTQLQIEISA-N 321.323 3.473 0 40 DGAB COC(=O)c1ccc(OCc2noc(-c3ccsc3)n2)cc1 31678067 POKCWMZAKUJXIP-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccnn1Cc1ccc(Cl)cc1 31709616 ZITJIGCPLMMSOR-JTQLQIEISA-N 309.822 3.275 0 40 DGAB Cc1n[nH]c(SCC(=O)Nc2cc(Cl)cc(Cl)c2)n1 35670687 WJZXPIUEDSEZHG-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB COc1ccc(OCc2nc(-c3ccc(F)cc3)no2)cc1 35671892 JQCHSNNGWLIXPT-UHFFFAOYSA-N 300.289 3.463 0 40 DGAB O=C(NCc1ccncc1)c1c(-n2cccc2)sc2c1CCC2 36367173 FPWQCYMENGMRIP-UHFFFAOYSA-N 323.421 3.353 0 40 DGAB Cc1ccc(CCC(=O)N2CCC(c3nc(C)no3)CC2)cc1 41121707 BGQMPSZSSIXUBH-UHFFFAOYSA-N 313.401 3.025 0 40 DGAB CCCCNC(=O)N1CCCC[C@@H]1c1nc(CC(C)C)no1 41123412 ALGWCVQEASVXJP-CYBMUJFWSA-N 308.426 3.305 0 40 DGAB Cc1cc(NC(=O)N[C@H]2CCSc3ccccc32)n(C)n1 43432543 IWKDAUMIXFZAAN-LBPRGKRZSA-N 302.403 3.087 0 40 DGAB C[C@@H](NC(=O)NCCCn1ccnc1)c1ccc(Cl)s1 44946466 QIWOVELFYURUTL-SNVBAGLBSA-N 312.826 3.049 0 40 DGAB C[C@@]1(C(=O)NC[C@H](O)c2cccc(Cl)c2)CC1(Cl)Cl 46689483 AIZHUDIMIUXDHY-JQWIXIFHSA-N 322.619 3.074 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N1CC[C@H]1c1ccccc1 47347487 HRVXAFMKJWVDFN-LBPRGKRZSA-N 300.387 3.394 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCC[C@H]3CCCC[C@H]32)s1 47644151 YGXZBZCDPLUGTC-VXGBXAGGSA-N 307.415 3.330 0 40 DGAB CC(C)N1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 53371296 CADKUKCJWMQRJH-YOEHRIQHSA-N 318.461 3.325 0 40 DGAB CN(C)CN1C(=O)/C(=C\c2ccco2)c2ccc(Cl)cc21 57160170 HUNBZVCCASDHJC-ZROIWOOFSA-N 302.761 3.339 0 40 DGAB NC(=O)COc1cccc(CSc2ccc(F)c(F)c2)c1 58249627 JUWLONWUJGZSTH-UHFFFAOYSA-N 309.337 3.121 0 40 DGAB CN(c1c(F)cccc1F)S(=O)(=O)c1ccc(F)c(F)c1 58304789 UFOZWMXJLQKISR-UHFFFAOYSA-N 319.279 3.068 0 40 DGAB CN(C)c1ncccc1C(=O)N1CCCc2cc(Cl)ccc21 59895657 WDMIAWJDFHJQAZ-UHFFFAOYSA-N 315.804 3.394 0 40 DGAB CC(C)(CC(=O)NCc1cn2ccsc2n1)c1ccccc1 67160254 HXCXFFMUHLUTDT-UHFFFAOYSA-N 313.426 3.380 0 40 DGAB Cc1noc(C)c1CNC(=O)c1cc(C2CC2)nn1C(C)(C)C 67761756 WWQFFKYNXXKCAF-UHFFFAOYSA-N 316.405 3.050 0 40 DGAB O=C(Cc1cccc(Cl)c1)N1CCN(c2ccccc2)CC1 67786015 JUVADQQQJGISFP-UHFFFAOYSA-N 314.816 3.231 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2cnn(C)c2)oc2ccc(F)cc12 69557504 OKXWTYCXKNSUJP-SNVBAGLBSA-N 301.321 3.105 0 40 DGAB O=C(NC1CCC(O)CC1)N1CCCC[C@@H]1Cc1ccccc1 69582044 KZGUFSHSLPRSBV-LXPRWKDFSA-N 316.445 3.097 0 40 DGAB c1ccc(Cc2nc(COc3nnc4ccccn34)cs2)cc1 69704925 PPBGHWDQPVYAJR-UHFFFAOYSA-N 322.393 3.356 0 40 DGAB CC(C)[C@@H](c1ccccc1Cl)N(C)C(=O)CCn1cncn1 69869298 LCAMBQRYVAGDQV-INIZCTEOSA-N 320.824 3.177 0 40 DGAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@H](C)CO)c2)oc1C 71921141 DGNUNBFSTOKFMO-MNOVXSKESA-N 317.389 3.097 0 40 DGAB NNc1nc2ccc(NC(=O)c3ccccc3Cl)cc2s1 72229736 OPWCWYMAVJZCKA-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB CN1CC[C@H](CN(C)C(=O)c2sccc2SC(F)F)C1 72271273 ADQOYTBRTBGIEW-VIFPVBQESA-N 320.430 3.087 0 40 DGAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1cc2ccccc2[nH]1 72277608 DTCKGAKQAGAMGU-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB COc1ccc(CSc2nnc(N)n2C2CC2)c(Cl)c1 72300662 NBCZKAQAKKOLFW-UHFFFAOYSA-N 310.810 3.150 0 40 DGAB CC(C)c1nc([C@H]2CCCN2Cc2cn3ccsc3n2)no1 72318936 VXYWECYTWRNFQC-GFCCVEGCSA-N 317.418 3.239 0 40 DGAB O=C(COC(=O)c1cc(F)ccc1Cl)NC1CCCCC1 72330077 JMJVJNAQLWDAOC-UHFFFAOYSA-N 313.756 3.085 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2cccs2)cc1 72333790 AFBIPIOFYMDNFD-GFCCVEGCSA-N 303.383 3.091 0 40 DGAB Cc1noc([C@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)n1 76046849 YUVZUCYLKNOULG-GXFFZTMASA-N 303.410 3.058 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(Cl)c2)[C@@H](C)C1 76058056 LHQOQJSQXCEWSV-SWLSCSKDSA-N 324.852 3.085 0 40 DGAB O=C(NCC[C@@H](O)C1CC1)Nc1ccc(Cl)c(Cl)c1 77108812 LKSOFGASZYFNEK-GFCCVEGCSA-N 303.189 3.276 0 40 DGAB CC(=O)Nc1cccc(CNc2cc(-c3nc(C)no3)ccn2)c1 77189735 NHYWLPQQOHCDPY-UHFFFAOYSA-N 323.356 3.011 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2COc3ccccc3O2)c(C)c1 78578371 AZYRYULVEGKNQP-KBXCAEBGSA-N 311.381 3.321 0 40 DGAB O=C(Nc1ccc(C(=O)O)c(Cl)c1)c1ccc(Cl)cn1 79728964 QVQGETLIYKPJJD-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB CC(C)(C)c1cc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)no1 88379836 CJAGSUDSEIBAHU-LLVKDONJSA-N 317.393 3.454 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)NCc2cccc(CO)c2)C1 89275086 RYYHROQUWSFELM-CVEARBPZSA-N 322.474 3.042 0 40 DGAB CC(C)n1cc([C@H](C)N[C@H](C)C(=O)Nc2ccccc2)cn1 89616486 DUDUJDYZJDFNNS-UONOGXRCSA-N 300.406 3.142 0 40 DGAB Cc1ccc(Cn2cccc(NC(=O)c3occc3C)c2=O)cc1 89633282 VRCAKTUAOJAAIX-UHFFFAOYSA-N 322.364 3.359 0 40 DGAB COc1ccncc1NC(=O)c1c(Cl)c2ccccc2n1C 89749549 GMFFHYLHLPNCCY-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB CC[C@H](NC(=O)N[C@@H]1CCC[C@H]2OCC[C@H]12)c1cccs1 89947948 GFZMBMJYCORRKH-XJFOESAGSA-N 308.447 3.456 0 40 DGAB Cn1ccnc1SCC1CCN(C(=O)c2cccs2)CC1 90608189 FOCRUJOKGYILDA-UHFFFAOYSA-N 321.471 3.126 0 40 DGAB Cn1nccc1CNCc1cc(Br)ccc1Cl 95425752 YQSVNKKULKVAII-UHFFFAOYSA-N 314.614 3.126 0 40 DGAB COc1ccc(NC[C@@H]2CC=CCC2)cc1N1CCOC1=O 95434069 ICWUFPJXCIKVRV-CYBMUJFWSA-N 302.374 3.420 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)C[C@H]1CCOC1 95962634 SCKRQPYYUVIHJL-LLVKDONJSA-N 317.307 3.017 0 40 DGAB O=C(Nc1cc2c(=O)[nH]cnc2cc1F)c1coc2ccccc12 96013738 MTAOTTSSBNPRDP-UHFFFAOYSA-N 323.283 3.061 0 40 DGAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3sccc3C)O2)o1 96040915 NAOIZLFJJHBBIO-MCIONIFRSA-N 319.430 3.243 0 40 DGAB Cc1nccn1CCCCNC(=O)Nc1cc(C(C)(C)C)on1 96434592 XIBOGSAPYWHLLN-UHFFFAOYSA-N 319.409 3.079 0 40 DGAB O=C1NCCCN1c1cccc(-c2nc(C3CCCC3)no2)c1 96449306 CWASMKPZIGNMMM-UHFFFAOYSA-N 312.373 3.314 0 40 DGAB CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 96493651 UQZLXAKPYGMEAC-GJZGRUSLSA-N 305.422 3.132 0 40 DGAB CC(C)Cn1cc(N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 97038685 VTAJJQIRTNOSFC-CYBMUJFWSA-N 321.446 3.116 0 40 DGAB CCn1cc(CNc2nnc(Cc3ccc(F)cc3)s2)cn1 97045512 PAPRKFZAVPNJDF-UHFFFAOYSA-N 317.393 3.097 0 40 DGAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1nccs1 97285921 XYTJHQIBOCVZCQ-UHFFFAOYSA-N 315.442 3.469 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1C[C@@H]2NCc1ccccc1 100020317 HFIAICRLCXYAAE-PMPSAXMXSA-N 302.418 3.174 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)[C@H]1C[C@H]2CC[C@H]1C2 102325542 PWLUYWICKNOGTH-MROQNXINSA-N 313.850 3.443 0 40 DGAB CCOC(=O)N[C@@H](CC(=O)NC1CCCCC1)c1ccccc1 107885839 FEFVGLCJFWABSY-INIZCTEOSA-N 318.417 3.313 0 40 DGAB Nc1nc(Cl)cc(Nc2cccc(OC(F)(F)F)c2)n1 123968879 ZSJQXALEABPCKK-UHFFFAOYSA-N 304.659 3.354 0 40 DGAB O[C@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 195560796 AUNIRMAGBREALY-RTBURBONSA-N 323.371 3.028 0 40 DGAB c1cnc2c(CN3CCC[C@@H](Cc4ccn[nH]4)C3)cccc2c1 257281897 ORJZYULNGGUPRK-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB Cc1ccc([C@H]2CN(Cc3cccc4[nH]ccc34)CCO2)nc1 257284020 PAXXSEZSCONSRN-LJQANCHMSA-N 307.397 3.445 0 40 DGAB CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@H]1c1ccn[nH]1 257339953 ZDXCESPSBFAWAN-HNNXBMFYSA-N 315.421 3.117 0 40 DGAB Cc1nc(C)c(C(=O)N2CCCC[C@H]2c2n[nH]cc2C)s1 257342100 ZNCJJLRFLKDPPZ-LBPRGKRZSA-N 304.419 3.159 0 40 DGAB COc1ccc(C(=O)N2CC3(CCCC3)[C@H]2c2ccccc2)nn1 560476305 ILFWCLAKYPWBQG-QGZVFWFLSA-N 323.396 3.243 0 40 DGAB COC(=O)CCC(=O)c1ccccc1OC(F)(F)C(F)F 575361185 TVRMBWSBYHDILW-UHFFFAOYSA-N 308.227 3.059 0 40 DGAB c1cncc(O[C@H]2CSC3(C2)CN(Cc2cccs2)C3)c1 585104656 KICKCCXMMSBHGF-CQSZACIVSA-N 318.467 3.282 0 40 DGAB OC1(Cc2ccc(Br)c(Cl)c2)CCOCC1 1083805753 XZVVXLDLNQBSIW-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB CN(c1ccccn1)C1CCN(c2nc3ccccc3[nH]2)CC1 1888918158 LKDHGRUTQSZUIJ-UHFFFAOYSA-N 307.401 3.063 0 40 DGAB Cc1cc(C)nc(Nc2ncc(O)n2-c2ccc(Cl)cc2)n1 75545 RMNUYDYOUGZRHV-UHFFFAOYSA-N 315.764 3.382 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(C(C)(C)C)cc1 206930 BOMRERMWIVCWKD-OAHLLOKOSA-N 316.401 3.175 0 40 DGAB C[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)cc1 1381815 SOUNDZAPIFLSDN-JTQLQIEISA-N 300.745 3.327 0 40 DGAB Cc1noc(C)c1CN1c2cccc3cccc(c23)S1(=O)=O 3356831 RWTBWBFCWGZJTE-UHFFFAOYSA-N 314.366 3.154 0 40 DGAB C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(Cl)c1)C2=O 3374676 BDGQCEFIPMUGPQ-BDJLRTHQSA-N 306.793 3.341 0 40 DGAB COc1ccccc1-c1nnc2n1N[C@H](c1ccccc1)S2 3843164 VAHZYTFQYUZSSG-HNNXBMFYSA-N 310.382 3.302 0 40 DGAB biogenic C[C@H](On1c(-c2ccccc2)nc2ccc(Cl)cc21)C(=O)O 3855709 MKSDCECPVWEHCA-JTQLQIEISA-N 316.744 3.258 0 40 DGAB COc1ccc(OCCCn2c(=O)oc3ccc(C)cc32)cc1 4393298 RDXNZIHAUYLXFY-UHFFFAOYSA-N 313.353 3.381 0 40 DGAB COc1ccc(-c2cc(O)c(C(=O)c3ccc(C)cc3)nn2)cc1 4625704 ZVZZHSVRIHYPBD-UHFFFAOYSA-N 320.348 3.397 0 40 DGAB O=C(O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 4741210 DOMPBMYFWLPPAP-ZDUSSCGKSA-N 310.305 3.105 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2cccnc2Cl)c(C)c1 6064546 ALQGHFBGXYPFCY-UHFFFAOYSA-N 303.745 3.392 0 40 DGAB C[C@@H](C1CC1)N(CC(F)(F)F)C(=O)c1cnc2ccccc2n1 8074304 GGWDRMIAXWRCJP-JTQLQIEISA-N 323.318 3.433 0 40 DGAB Cn1cc(C(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cn1 8136535 LFZQSSPXZILFMG-UHFFFAOYSA-N 303.671 3.345 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2nc(C(C)C)cs2)cc1 8735038 QZWHLFSDVRAQTD-UHFFFAOYSA-N 303.387 3.477 0 40 DGAB O=c1[nH]c(CSCCOc2ccccc2)nc2ccsc12 9608703 DAXUURNYGQLMRB-UHFFFAOYSA-N 318.423 3.297 0 40 DGAB Cc1cc(-c2cnc(N3CCSCC3)nc2C(C)C)on1 12186875 OYSPTFLTEPAODL-UHFFFAOYSA-N 304.419 3.117 0 40 DGAB Nc1nc(COC(=O)c2c[nH]c3ccccc23)nc2ccccc12 12534307 YEQTWEGFKXCPDM-UHFFFAOYSA-N 318.336 3.050 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1cccc(Cl)c1 13007275 KJOPMFKKKNZPQY-CQSZACIVSA-N 320.776 3.016 0 40 DGAB O=C1C[C@H](c2ccccc2F)c2c(c3ccccc3[nH]c2=O)O1 13571232 NWNSUYZVJCPTKO-GFCCVEGCSA-N 309.296 3.108 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)cc1 13714331 OCOPPAJSKJPJGA-UHFFFAOYSA-N 322.408 3.412 0 40 DGAB COc1ccc(CNCc2ccc(N3CCCC3=O)cc2)cc1 15580727 SCJIROPEIRRLMN-UHFFFAOYSA-N 310.397 3.112 0 40 DGAB CN(C)c1ccc(C(=O)/N=c2/sc3ccccc3n2C)cc1 17149596 QYGJSOKFQJUDRU-ISLYRVAYSA-N 311.410 3.047 0 40 DGAB Cc1ccc(-c2cc3nc(-c4ccccn4)cc(O)n3n2)cc1 19212283 HBIYNFJGWUAIGZ-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB O=C(Cc1ccccn1)N[C@H](Cc1cccs1)c1ccccn1 19401272 NFBHPLSODIUZNM-QGZVFWFLSA-N 323.421 3.181 0 40 DGAB CCOCCCNC(=O)c1ccc(CN2CCC(C)CC2)cc1 20049466 JRYQZODYHOQHSS-UHFFFAOYSA-N 318.461 3.075 0 40 DGAB CC(C)[C@H]1Oc2cc(N)ccc2N(Cc2ccccc2F)C1=O 20276238 XINXLGBSGIVXPO-QGZVFWFLSA-N 314.360 3.358 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc(N)cc2Cl)c1 20343420 MRGQDPJODWWBQK-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Cc1cccn2c(=O)cc(CN(Cc3ccccc3)C3CC3)nc12 25129030 ZYXFWHCKHRQLLA-UHFFFAOYSA-N 319.408 3.168 0 40 DGAB O=S1(=O)CCN(C2CCCCCCCCCCC2)CC1 31740782 YQBQWDRMOJHKHY-UHFFFAOYSA-N 301.496 3.390 0 40 DGAB O=S(=O)(c1ccc2nc(Cl)ccc2c1)N1CCCCC1 35358162 HLNXNJBCBNLOHG-UHFFFAOYSA-N 310.806 3.063 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCCCC1)NC1CC1 36075799 ATYNGVCOJYUWJB-AWEZNQCLSA-N 307.463 3.127 0 40 DGAB COc1ccc(OCCNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1 36644354 JXEUDDZJCRJDBD-DLBZAZTESA-N 317.429 3.429 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)c1cn(-c2ccccc2)nn1 40073756 YVCYGYBTJUZQQT-CQSZACIVSA-N 306.369 3.101 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(CN3CCOC3=O)c2)s1 40118892 VHTGWBQMHUFASG-UHFFFAOYSA-N 316.382 3.261 0 40 DGAB COc1ccc(NC(=O)NC2CCCCCC2)cc1NC(C)=O 44036421 BEXZYDKPGVEWIG-UHFFFAOYSA-N 319.405 3.498 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@@H]1c1ccsc1 45966011 OFQCOOACFVGJRL-CQSZACIVSA-N 317.414 3.198 0 40 DGAB Cc1n[nH]c(C(=O)N(C)CC2CCCCC2)c1Br 49221632 STYOEXWTUOJGGE-UHFFFAOYSA-N 314.227 3.133 0 40 DGAB C[C@@H]1CCCN(C(=O)c2cc(Br)cnc2Cl)C1 50044077 YUSDIEAMVTZYSQ-MRVPVSSYSA-N 317.614 3.370 0 40 DGAB CCSc1cc(C(=O)N2CCC(OCC(C)C)CC2)ccn1 53132348 SKNJBIVWVAUWSD-UHFFFAOYSA-N 322.474 3.471 0 40 DGAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@@H]1CCCO1 53423945 KMHKHKSLRWQVQS-RISCZKNCSA-N 316.426 3.475 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@@H]2CCC[C@@H]21 56196235 NTGFUSYCIJHLEA-LSDHHAIUSA-N 304.777 3.215 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 57406088 QOUJAPCCUKDKNR-KGLIPLIRSA-N 310.397 3.473 0 40 DGAB CCc1cc2c(NCc3ccc4c(c3)CC(=O)N4)ncnc2s1 58168714 UCKFFSGEGPXNCT-UHFFFAOYSA-N 324.409 3.360 0 40 DGAB CCC(CC)C(=O)N1CCC(NC(=O)c2ccc(C)s2)CC1 58185660 UOCTXUBUKQTZSA-UHFFFAOYSA-N 322.474 3.214 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 61552665 MVSDMAZACXZIPB-LLVKDONJSA-N 319.336 3.169 0 40 DGAB COCc1ccc(C(=O)Nc2cccc(-c3noc(C)n3)c2)cc1 64329463 ODWGKFDHYYSPPH-UHFFFAOYSA-N 323.352 3.444 0 40 DGAB CC(=O)c1cc(Cl)ccc1OCCn1c(C)csc1=O 69161060 CHNDIYGFRWGLFZ-UHFFFAOYSA-N 311.790 3.153 0 40 DGAB O=c1[nH]c(CN2CC[C@@H](c3cccc(F)c3)C2)nc2ccccc12 69615486 UTCWAKBHPCNIGU-CQSZACIVSA-N 323.371 3.052 0 40 DGAB O=C(Cc1ccccc1O)Nc1cnc(-c2ccccc2)nc1 69626374 GUJIZBJDXJIDMO-UHFFFAOYSA-N 305.337 3.030 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71882152 FKLKEVIANWYPQV-HOTGVXAUSA-N 321.428 3.388 0 40 DGAB c1cnc2nc(SCc3csc(-c4ccoc4)n3)nn2c1 71888018 VERPSWRHLIFCJU-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB CC(=O)NC(C)(C)c1noc(/C=C/c2ccc(Cl)cc2)n1 71905169 HFVLFLGFXNSOQU-RMKNXTFCSA-N 305.765 3.265 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)CCCn2cccn2)n1 72273905 QBLXCRZTCUEWEF-AWEZNQCLSA-N 318.446 3.182 0 40 DGAB CC(=O)Nc1cccnc1Oc1ccc2c(C)cc(=O)oc2c1 72325474 JXXCOESQVOZYSB-UHFFFAOYSA-N 310.309 3.247 0 40 DGAB biogenic Cn1cccc1CNC(=O)CCCc1cn(C)c2ccccc12 72325863 AVQKSJPJTVTJPG-UHFFFAOYSA-N 309.413 3.156 0 40 DGAB biogenic CN1CCN(CCOC(c2ccccc2)c2ccccc2)CC1 73123767 SHMLKSNRHWIHQV-UHFFFAOYSA-N 310.441 3.040 0 40 DGAB Cc1nc(-c2cccc(C(=O)N(CC3CC3)CC3CC3)c2)n[nH]1 75091939 JWIGFFBXQGCWQR-UHFFFAOYSA-N 310.401 3.042 0 40 DGAB O=S(=O)(c1cccs1)N1CCC(c2ccsc2)CC1 77103763 VQFGPXPFMJBIGK-UHFFFAOYSA-N 313.469 3.378 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](C)C[C@H](C)O 77660946 CWCBIICNBIFJII-KOLCDFICSA-N 314.813 3.186 0 40 DGAB CC(C)CC1(C(=O)NCCCN2C[C@H](C)O[C@H](C)C2)CCCC1 79069066 BQWSRLMXNPVPHO-CALCHBBNSA-N 324.509 3.208 0 40 DGAB Cc1cccc(N2CCN(c3nnc(C(F)F)s3)CC2)c1C 89686592 JDORQEYIUCSQGK-UHFFFAOYSA-N 324.400 3.419 0 40 DGAB C[C@@H]1C[C@H](C(=O)N[C@@H]2CCOc3c(Cl)cccc32)CCC1=O 95449126 UDSALBHZGYQGJA-JTNHKYCSSA-N 321.804 3.285 0 40 DGAB CSc1ccc(C(=O)Nc2nncn2-c2ccccc2)cc1 95457249 YHIWRLCPGVDCKO-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB COCc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C[C@H](C)N2 95471695 NSNUWWFSSDVLLZ-SWLSCSKDSA-N 300.406 3.341 0 40 DGAB Cc1cc(Cl)cc(C(=O)Nc2cc(C(N)=O)c(F)cc2F)c1 95966890 DQPRZAIMVFBYDX-UHFFFAOYSA-N 324.714 3.278 0 40 DGAB c1ccc(COC[C@]23CCCO[C@@H]2CCN(C2CCC2)C3)nc1 96040275 NGZZMZXGBBFMBF-RTBURBONSA-N 316.445 3.022 0 40 DGAB c1ccc(-c2ncc3c(n2)[C@@]2(CCN(CC4CC4)C2)COC3)cc1 96244356 SXROBPKSLAQVCO-HXUWFJFHSA-N 321.424 3.027 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(Nc2ccccc2)nc1 96403819 YMCAMLJZELMVQA-UHFFFAOYSA-N 321.384 3.428 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@@H]1C[C@]12CCc1ccccc12 96441057 CJTJVZXDASUAEY-ICSRJNTNSA-N 323.440 3.061 0 40 DGAB C[C@@H](NC(=O)NCc1ccncc1)c1cccc(N2CCCC2)c1 96461491 NOFKSBDXFNOJKU-OAHLLOKOSA-N 324.428 3.242 0 40 DGAB COCCC1(CNC(=O)Nc2cc(OC)ccc2C)CCC1 96474179 FTFIGIGJUWKYLC-UHFFFAOYSA-N 306.406 3.332 0 40 DGAB Cc1ncc([C@H](C)NCCc2ccc(-n3cccn3)cc2)c(C)n1 97016515 BHAFOBLOICSJCQ-AWEZNQCLSA-N 321.428 3.172 0 40 DGAB O=C(NC[C@H](Cc1ccccc1)C(=O)O)c1ccccc1Cl 97228604 CUGCBAHCZBBMFC-ZDUSSCGKSA-N 317.772 3.013 0 40 DGAB Cc1cc(NC(=O)c2cncc(F)c2)cnc1N1CCCCC1 97237809 AGJWCTMJLNHNPV-UHFFFAOYSA-N 314.364 3.167 0 40 DGAB O=C1N/C(=C/c2ccc(O)cc2)C(=O)N1c1ccc(Cl)cc1 100373873 RRPYCOXAEJBQTP-NTEUORMPSA-N 314.728 3.143 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1cccc(Cl)c1)OC2=O 100845389 OUTICLKBUIURAF-HZPDHXFCSA-N 307.777 3.400 0 40 DGAB CCCOCC(=O)/N=c1/sccn1Cc1ccccc1Cl 103277450 VLDBHZWYXULXRZ-BMRADRMJSA-N 324.833 3.105 0 40 DGAB CC(C)c1cc(NC(=O)[C@@H]2CC=CCC2)n(-c2ncccn2)n1 108732595 LTPAXLFOOVMWCO-CYBMUJFWSA-N 311.389 3.081 0 40 DGAB C[C@H](NC[C@]1(CCO)CCOC1)c1cc2ccccc2s1 188154769 AZANZNGVCDSIAA-GUYCJALGSA-N 305.443 3.341 0 40 DGAB O=C(NC[C@@H]1CC[C@@H](O)C1)Nc1ccc(OC2CCCC2)cc1 189537502 DMEQEVNEFUJCMB-UKRRQHHQSA-N 318.417 3.291 0 40 DGAB Cc1cccc(C(=O)NC[C@](C)(C(=O)O)c2ccccc2)c1C 193062949 OZGVLVJUVHFJFH-IBGZPJMESA-N 311.381 3.076 0 40 DGAB FC(F)(F)c1nnc(SCCO[C@H]2CCCCO2)s1 193445157 YIBDSTKYKSQSFW-ZETCQYMHSA-N 314.354 3.192 0 40 DGAB Cn1c(=O)sc2cc(NC(=S)Nc3ccccc3)ccc21 225020340 BISBQVYENRZYLE-UHFFFAOYSA-N 315.423 3.409 0 40 DGAB c1ccc(Oc2ccc3nccc(N4CCNCC4)c3c2)cc1 225321577 LGZXBHGFXJITFQ-UHFFFAOYSA-N 305.381 3.437 0 40 DGAB Fc1cc(Cl)ccc1CN1CCOC2(CCOCC2)CC1 225452933 PXMGQRUREZBXQI-UHFFFAOYSA-N 313.800 3.251 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2ccc(F)c(F)c2)n1 257224037 FAASVGOEMIOPEF-OAHLLOKOSA-N 304.344 3.134 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCC[C@H](Cc2ccn[nH]2)C1 257254568 KDROXAXUSZRPIC-CQSZACIVSA-N 320.396 3.053 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@H](c3nccs3)C2)on1 257287295 PPINLLXOMFWORY-NSHDSACASA-N 305.403 3.274 0 40 DGAB Nc1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2 408599681 JDHHONJDYJKREP-UHFFFAOYSA-N 316.470 3.446 0 40 DGAB COc1ccc(CCC(=O)N2CC[C@H](c3cccnc3)C2)cc1 517237891 UASUZSUDJGKFLO-KRWDZBQOSA-N 310.397 3.039 0 40 DGAB O=C(C[C@H](c1ccc(Cl)cc1)n1cccc1)Nc1cc[nH]n1 524735682 RCQQGYRQNWFAME-CQSZACIVSA-N 314.776 3.483 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 572505458 BYASHJVVAQUUKN-ROUUACIJSA-N 324.355 3.027 0 40 DGAB O=C(O)c1coc(CN(C2CC2)[C@H]2CCCc3ccccc32)n1 580202322 WTONMCFPZKKUIL-INIZCTEOSA-N 312.369 3.415 0 40 DGAB C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 585128367 ZIOLMTCGMIJSNW-ZVZLPEGASA-N 304.434 3.025 0 40 DGAB CC[C@H]1CCN(C(=O)Nc2c(C(F)(F)F)nn(C)c2Cl)C1 585135733 YVLZICLBZXBPGH-ZETCQYMHSA-N 324.734 3.356 0 40 DGAB CC(C)(C)c1cc2c(O)nc(C[C@@H](O)C(F)(F)F)nc2s1 585137218 MNFGGSMCLVLEGP-SSDOTTSWSA-N 320.336 3.160 0 40 DGAB Cc1ccc(Cc2cnc(CCN3CCCC3=O)s2)cc1 585138250 YBVJMQYSYXZRNC-UHFFFAOYSA-N 300.427 3.207 0 40 DGAB O=C(N[C@@H]1CCc2ccc(O)cc21)c1nsc2ccccc12 1557553166 CRJFWJZNMDISNV-CQSZACIVSA-N 310.378 3.419 0 40 DGAB CC(C)COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O 33010 LDWRTQYRKZOVCI-UHFFFAOYSA-N 323.348 3.300 0 40 DGAB O=C(C[C@@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)cc1 83012 YBCUBNBXNGIAPC-AWEZNQCLSA-N 315.760 3.101 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3C)C2=O)cc1 366442 GRPJISCTJRVTCH-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB CC(C)Cn1cc(C(=S)N2CCOCC2)c2ccccc21 555443 AGNUKXVUKZSMCK-UHFFFAOYSA-N 302.443 3.305 0 40 DGAB CCSc1nc(C(F)(F)F)cc(=O)n1-c1ccccc1 1394861 CXOQSYITUUWOQN-UHFFFAOYSA-N 300.305 3.363 0 40 DGAB Cc1noc(C)c1CSc1nnnn1-c1ccc(Cl)cc1 3260599 RTNNLCCMOCGKLG-UHFFFAOYSA-N 321.793 3.213 0 40 DGAB C[C@H]1C=CCC[C@H]1COC(=O)C(=O)OC[C@H]1CC=CC[C@H]1C 4933495 RNKIHWNYGOGDOP-QXSJWSMHSA-N 306.402 3.277 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc(N3CCN(C)CC3)cc2)c1 5172726 WNIBDENBSMAVCB-UHFFFAOYSA-N 323.440 3.308 0 40 DGAB CCCc1cc(NCCOC)n2ncc(-c3ccccc3)c2n1 5266670 OBHCLSXNYIGEGT-UHFFFAOYSA-N 310.401 3.407 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2nc(-c4ccco4)nc32)cc1 5307145 OBKLBQBXFGEOOX-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(N3CCCC3=O)cc2)c1 5439877 DTODYBOTHCESMD-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1 5558210 AFDJWQPVEPNJGK-UHFFFAOYSA-N 302.761 3.099 0 40 DGAB O=C(NC(=S)Nc1ccccn1)C12CC3CC(CC(C3)C1)C2 5658973 PHDHMXSFOYFGBO-UHFFFAOYSA-N 315.442 3.111 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2ccccc12 5903136 JWIPKFXVVRUWAM-UHFFFAOYSA-N 304.353 3.017 0 40 DGAB CCc1ccc(C(=O)[C@@H](C)OC(=O)c2ccc(CO)cc2)cc1 7429940 GBHWFUZFPWMCHW-CYBMUJFWSA-N 312.365 3.170 0 40 DGAB CCCCC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccco1)C(C)C 7813915 QGXDLTLMVZLBSM-UKRRQHHQSA-N 308.422 3.119 0 40 DGAB O=C(Nc1cccc2cccnc12)c1cc(=O)[nH]c2ccccc12 9365173 ZWMFPNGWTIIFMB-UHFFFAOYSA-N 315.332 3.329 0 40 DGAB CSc1ccc(CC(=O)Nc2nnc(-c3ccco3)o2)cc1 10252368 CHZBOBVJFDAGPL-UHFFFAOYSA-N 315.354 3.233 0 40 DGAB O=C(NCCc1cn2ccccc2n1)c1cc2ccccc2o1 12666037 LNEJGKPUIHWTQR-UHFFFAOYSA-N 305.337 3.053 0 40 DGAB Cc1ccccc1CNC(=O)c1ccc(NC(=O)C2CC2)s1 12868331 BTOIKFUUVYFURW-UHFFFAOYSA-N 314.410 3.335 0 40 DGAB O=C(O)C1CCN(C(=O)c2cc(F)c(Cl)cc2Cl)CC1 13425628 WVIYQYXIGVFJPD-UHFFFAOYSA-N 320.147 3.069 0 40 DGAB O=S(=O)(c1ccc(Cl)c(Cl)c1Cl)n1cccn1 16780675 QNQLCMPCDKMWMK-UHFFFAOYSA-N 311.577 3.080 0 40 DGAB Cc1ccc2nc3sc(NCc4ccccc4)nn3c(=O)c2c1 17121777 AEDHUXVPDLSLFR-UHFFFAOYSA-N 322.393 3.225 0 40 DGAB COC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1C 18051372 NLFXCRNNTZJFID-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC(C)OCCCNC(=O)CSc1nc2ccccc2s1 18186651 QQZYVBJZYWKIJO-UHFFFAOYSA-N 324.471 3.320 0 40 DGAB C[C@H]1CN(Cc2c(-c3cccnc3)[nH]c3cccnc23)C[C@H](C)O1 19717971 YHHNBMRJYBQORH-KBPBESRZSA-N 322.412 3.234 0 40 DGAB CN(C)[C@H](CNC1CC(C)(C)NC(C)(C)C1)c1cccc(F)c1 22788540 CVWAIABRYMMUOV-QGZVFWFLSA-N 321.484 3.327 0 40 DGAB CCOC(=O)C1CCN(c2nc(C)nc3sc(C)cc23)CC1 28162572 SMMCHGBOTFNGBJ-UHFFFAOYSA-N 319.430 3.088 0 40 DGAB CN(CCOc1ccc(F)cc1)C(=O)NCc1ccc(F)cc1 30993521 DGESRJSOIQDBHK-UHFFFAOYSA-N 320.339 3.185 0 40 DGAB COc1ccccc1NC(=O)c1ccc(-n2nc(C)cc2C)nc1 32643441 YZFGRBGFAGBMTK-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2ccccc2)no1 33144879 JGRSRPJHVLNGNO-UHFFFAOYSA-N 308.293 3.323 0 40 DGAB CCOC(=O)CC1CC2(CCN(C(=O)OC(C)(C)C)CC2)C1 34397664 NTOSXKVOMOVRFD-UHFFFAOYSA-N 311.422 3.367 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)c2ccc(F)cc2C)c1 36961494 OLAGRMLJOBKSPH-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)cc(C)c2)s1 39989071 SLALRFWNOKJBJJ-JTQLQIEISA-N 323.443 3.283 0 40 DGAB COc1cc(CNC(=O)c2sc(C(C)C)nc2C)ccc1O 40525104 HFGKOHCBXINLJZ-UHFFFAOYSA-N 320.414 3.219 0 40 DGAB CC(C)c1noc(CCCC(=O)NCCc2ccccc2F)n1 40529710 KBHQZBFAZVXHNR-UHFFFAOYSA-N 319.380 3.014 0 40 DGAB O=C(NCc1ccco1)NCc1cc(Br)cs1 40549218 MPXOTMRZXCUCAC-UHFFFAOYSA-N 315.192 3.103 0 40 DGAB O=C(NC1(c2cccc(Cl)c2)CCCC1)c1cnccn1 41565945 PPMLNBHLUVINFD-UHFFFAOYSA-N 301.777 3.329 0 40 DGAB Cc1nnc(NC(=O)NCc2cccc(C(F)(F)F)c2)s1 43412544 UDTLIUDCWVXUNE-UHFFFAOYSA-N 316.308 3.187 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1C 45783044 HSJDVOQHYKCXHV-CYBMUJFWSA-N 311.385 3.285 0 40 DGAB O=C(NCC1CCC1)N1CCC(c2nc3ccccc3[nH]2)CC1 47053143 FUVHIZHREWANGH-UHFFFAOYSA-N 312.417 3.252 0 40 DGAB COCCCC(=O)Nc1nc(-c2c(F)cccc2F)cs1 49705170 CGKHINVCVBTNBI-UHFFFAOYSA-N 312.341 3.453 0 40 DGAB O=C(c1ccccc1)[C@@H]1N[C@H]1c1ccc(Br)cc1 49762757 KBGOQVUCMFYENS-UONOGXRCSA-N 302.171 3.345 0 40 DGAB COC(=O)C[C@H](NC(=O)c1sccc1C)c1ccc(F)cc1 52868693 YXXMWMRLELEYAT-ZDUSSCGKSA-N 321.373 3.230 0 40 DGAB CCCc1nc(N2CCC[C@H](C)C2)c2c(n1)c(C)nn2CC 57355855 ZEFDIIJNQFJKQJ-LBPRGKRZSA-N 301.438 3.343 0 40 DGAB COCc1ccccc1NC(=O)N(C)Cc1cnc(C)s1 58077682 JMNPYXRVACYIHH-UHFFFAOYSA-N 305.403 3.262 0 40 DGAB Cc1ccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)cc1 58155530 AZFLZTIPMIQSLL-JOCHJYFZSA-N 319.401 3.412 0 40 DGAB COc1c(CN[C@H]2CCSc3ccc(F)cc32)c(C)nn1C 58406100 WFZRIWPWHITQPW-AWEZNQCLSA-N 321.421 3.203 0 40 DGAB CCOc1ccc(OC(=O)c2cn(C)nc2-c2cccnc2)cc1 58419865 OECAHVJMKASJRY-UHFFFAOYSA-N 323.352 3.100 0 40 DGAB COCCCN(C)C(=O)c1cccc2c3c([nH]c12)CC[C@H](C)C3 58427404 CRAJBYCJHKHXDN-ZDUSSCGKSA-N 314.429 3.401 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)COc2ccccc2F)cc1 67086297 HYBQSSYZALOLBP-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB Cc1ccc(/C(=C\N(C)C)S(=O)(=O)c2ccccc2F)cc1 67340810 OHIUHDALZFCKFA-SFQUDFHCSA-N 319.401 3.468 0 40 DGAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)cc1 67898779 RBQWDYCSLUPRPW-INIZCTEOSA-N 301.365 3.142 0 40 DGAB biogenic,in-vitro CC(C)[C@]1(C)NC(=O)N(Cc2csc(C3CCCC3)n2)C1=O 69148109 MULYTXBUVNDZSR-INIZCTEOSA-N 321.446 3.267 0 40 DGAB Cc1ncc(C(=O)N(C)CCCOc2ccc(F)cc2)s1 69705664 SWNJRWMJXVSJDR-UHFFFAOYSA-N 308.378 3.132 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CC[C@@H](c2cccc(F)c2)C1 70040169 GDTVABNCEAIJHT-CQSZACIVSA-N 309.344 3.332 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(O)c(Cl)c1 71282867 YSLZGGQZCGOOCO-SECBINFHSA-N 321.764 3.240 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](OCc2ccc(Cl)nc2)C1 72203477 FMCLDZORAMKJCM-LBPRGKRZSA-N 312.797 3.261 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)no1 72232346 OCOMZHXCHFNXFL-ZDUSSCGKSA-N 317.389 3.170 0 40 DGAB CCn1nc(C)c2nc(C(C)C)nc(NCc3cccnc3)c21 72238344 SFMLQFGZTHEWAT-UHFFFAOYSA-N 310.405 3.285 0 40 DGAB CC(C)(Cc1ccccc1Cl)NC(=O)NC1CCC(O)CC1 72255213 LWTDBTUOXAENGL-UHFFFAOYSA-N 324.852 3.264 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2ccn(-c3ccccc3)n2)c1 72269873 WUIGYUREZGSYMW-CVEARBPZSA-N 309.417 3.117 0 40 DGAB Cn1cc(CN2CC[C@@H](Cc3cccc4cccnc34)C2)cn1 72368005 YUIUWTITHFEOKP-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB O=C(c1ccc(Sc2ccccc2Cl)nn1)N1CCC1 72825554 UXONPTMTUXAMJA-UHFFFAOYSA-N 305.790 3.127 0 40 DGAB COc1cccc(NC2CCN(c3cncc(Cl)n3)CC2)c1 75050532 JXUXWKZUCXTSQD-UHFFFAOYSA-N 318.808 3.220 0 40 DGAB COc1ccc([C@H]2C[C@@H]2C(=O)N(C)c2cc(C(C)C)[nH]n2)cc1 75146304 JQWRQSNQFTVLSW-CABCVRRESA-N 313.401 3.308 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1ccccc1Cl 75161972 TWWGNNORKXVOCF-UHFFFAOYSA-N 317.780 3.374 0 40 DGAB COc1ccc(CN(CCC(=O)N2CCC[C@H]2C)C2CC2)cc1 75591974 NEPMBJVEIZSZMS-OAHLLOKOSA-N 316.445 3.061 0 40 DGAB COCCc1noc(CN2CCCC3(CCCCCC3)C2)n1 75968209 RTRNEDQMOATSPS-UHFFFAOYSA-N 307.438 3.195 0 40 DGAB COCCN(CC(F)F)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)cc1 78796637 SQYPXLFNHLLUCZ-CHWSQXEVSA-N 317.763 3.184 0 40 DGAB CC(C)[S@](=O)c1ccc(C(=O)Nc2ccccc2O)cc1 84622347 SCOYFPGWSLKASQ-OAQYLSRUSA-N 303.383 3.161 0 40 DGAB COC(=O)[C@@H](C)CNC(=O)Nc1cc(-c2ccco2)ccc1F 84638412 FLUKFLYGKJLALQ-JTQLQIEISA-N 320.320 3.016 0 40 DGAB O=C(Nc1nccs1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 89262036 QOFADJJKBPMMAU-NEPJUHHUSA-N 323.805 3.448 0 40 DGAB Cc1cc(CC(=O)N2CCCC[C@@H]2c2cc3ccccc3[nH]2)n[nH]1 89599098 XCPGMGVQKLOPMJ-GOSISDBHSA-N 322.412 3.496 0 40 DGAB Cc1cccc(C(=O)N2CCC(c3nncn3C(C)C)CC2)c1 89669021 ZLXURKQABZLYOS-UHFFFAOYSA-N 312.417 3.187 0 40 DGAB Fc1ccc(CN2CCC[C@@H](c3nncn3C3CC3)C2)cc1F 91629886 WBLDHBSEKFJYKG-CYBMUJFWSA-N 318.371 3.271 0 40 DGAB CC(C)(C)OC(=O)NC1(C(=O)Nc2cccc3[nH]ccc23)CC1 95415067 SEANHWKYJOOVSS-UHFFFAOYSA-N 315.373 3.164 0 40 DGAB CN1C[C@@H](NCc2cc(C(F)(F)F)ccc2Cl)CCC1=O 95973531 YHDKRPUUNCBNSF-NSHDSACASA-N 320.742 3.069 0 40 DGAB CCOC[C@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 96105915 KUFFLUBQTRSSTL-QGZVFWFLSA-N 321.461 3.311 0 40 DGAB Cc1ccc2nc3n(c2c1)[C@@H](CNCc1ccccc1)COC3 96112824 XVSKFJWJCJTYGI-INIZCTEOSA-N 307.397 3.206 0 40 DGAB biogenic,in-vitro CC(C)(C)c1ccc(=O)n(CC(=O)c2ccc(F)c(Cl)c2)n1 96411917 OAIZFJVEDWOAPI-UHFFFAOYSA-N 322.767 3.216 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCCc1ccn(-c2ccc(F)cc2)n1 96431459 MQQMFCFGHQLOPG-CQSZACIVSA-N 313.376 3.026 0 40 DGAB Cc1nc(C)c(C(=O)N2CCN(CC3CC3)c3ccccc32)o1 96444827 CEPJFVDFMFFONO-UHFFFAOYSA-N 311.385 3.168 0 40 DGAB CN(CC(C)(C)O)C(=O)N[C@H](c1cccnc1)C1CCCCC1 96462913 JQTBHWFMCZPOAI-INIZCTEOSA-N 319.449 3.115 0 40 DGAB CC[C@H]([C@@H](N)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96524870 CQIYIBYSVHLNNL-SJORKVTESA-N 303.427 3.177 0 40 DGAB O=C(O)c1ccc(CCC(=O)N2CCC[C@@H]2c2ccco2)cc1 97036741 QJRKHNDGXABWSW-OAHLLOKOSA-N 313.353 3.274 0 40 DGAB CN(Cc1cc(Br)cs1)C[C@H]1CCCOC1 104352631 HBBQDRGBMXQQBR-SNVBAGLBSA-N 304.253 3.369 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1ccc(CN2CCCC2)o1 105933270 VRFCOOHLJSTKAD-UHFFFAOYSA-N 306.312 3.406 0 40 DGAB Cc1ccoc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 108147176 IDHKWPRRUUIZOS-CABCVRRESA-N 320.339 3.041 0 40 DGAB CCOC(=O)c1nc(-c2ccc(Br)cc2)ns1 199566430 VBUCLRYGPZBESV-UHFFFAOYSA-N 313.176 3.144 0 40 DGAB COc1ccc(NC(=O)c2ncc(-c3ccc(F)cc3)o2)cn1 206588218 YLYYJNOOGVRWJF-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB COc1c(-c2nnc(N)o2)cc2ccccc2c1Br 216746134 JXMQVRCMZAFNRS-UHFFFAOYSA-N 320.146 3.243 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C(C)C)c1 222771876 GWZBXWCOEGKAMM-HOTGVXAUSA-N 314.458 3.456 0 40 DGAB Cc1ccc(CCC(=O)N2CC(=O)Nc3ccccc32)cc1C 225241686 NJIBCYOJEKYLNO-UHFFFAOYSA-N 308.381 3.221 0 40 DGAB Cc1cc(CSCc2nncn2C)ccc1Br 225702857 HNLNDHBGOBKMNQ-UHFFFAOYSA-N 312.236 3.319 0 40 DGAB Cc1c(NC(=S)NC(=O)C2CCCCC2)cccc1C(=O)O 226354193 GIZMLXXYLORICT-UHFFFAOYSA-N 320.414 3.087 0 40 DGAB CC1(C)CC(=O)[C@H]2C(COc3ccc(Cl)cc3)=NN[C@H]2C1 228925369 JMLZUTQGMWDMLP-SWLSCSKDSA-N 306.793 3.052 0 40 DGAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 257270184 MTCCMEDODPNOBJ-IIDMSEBBSA-N 315.461 3.017 0 40 DGAB CSc1ncc(C(=O)Nc2nc3c(C)cccc3s2)cn1 408527950 DLMMSCNWNFYJQT-UHFFFAOYSA-N 316.411 3.369 0 40 DGAB COC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@H]2[C@@]1(O)C(F)(F)F 409106406 LYTQNJILMVMVKP-IGJMFERPSA-N 322.327 3.138 0 40 DGAB O=C(c1cccc2c[nH]nc12)N1CCC[C@@H](Nc2ccccc2)C1 531679867 FLVQQHMOEWWCJA-MRXNPFEDSA-N 320.396 3.280 0 40 DGAB C[C@@H](CC(=O)N1CCn2ccnc21)c1ccccc1C(F)(F)F 585122481 NUIQIRKLKDZBBI-NSHDSACASA-N 323.318 3.442 0 40 DGAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(C(F)(F)F)cc1 585319856 WXQOHKHXALIVGG-PBWFPOADSA-N 313.319 3.487 0 40 DGAB O=C(O)c1cnn2c1N[C@@H](c1ccccc1)C[C@@H]2C(F)(F)F 226835 LYZQKJPJPOCQQM-GHMZBOCLSA-N 311.263 3.242 0 40 DGAB Cc1cc(OCC(=O)O)c2c(-c3ccccc3)cc(=O)oc2c1 278205 DBWBRDFFOYXFSR-UHFFFAOYSA-N 310.305 3.232 0 40 DGAB biogenic O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cnccn1 371554 HXNMIRRNEGPXJP-UHFFFAOYSA-N 301.655 3.401 0 40 DGAB COc1ccc2nc(SCC(=O)N3CCCC3)c(C)cc2c1 418683 RLDRKYTXEZYNPW-UHFFFAOYSA-N 316.426 3.266 0 40 DGAB COc1ccccc1Cn1cnc2c([nH]c3ccc(C)cc32)c1=O 500021 ILPVJNSLACDJCO-UHFFFAOYSA-N 319.364 3.243 0 40 DGAB CC(C)C[C@H](OC(=O)c1cccs1)C(=O)NCc1ccco1 1381142 LSURROKOUILUCP-ZDUSSCGKSA-N 321.398 3.229 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccc2ccccc2c1)c1ccco1 3355230 KYCLCCPZCWREJX-KRWDZBQOSA-N 308.381 3.466 0 40 DGAB CCC(=O)Nc1ccc(C(=O)COc2ccccc2OC)cc1 3444940 WRZWZRJMYBJFDB-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB CCCOc1ccc(C(=O)NCCCCCC(=O)OCC)cc1 4474180 JCZZSAHYZRBYEK-UHFFFAOYSA-N 321.417 3.329 0 40 DGAB CCOCCc1nnc(NC(=O)CCCc2ccccc2)s1 4815705 MAETWZJWICFNLT-UHFFFAOYSA-N 319.430 3.079 0 40 DGAB CCCNC(=S)N1CCC(c2nc3ccccc3o2)CC1 4966551 YGOGIJNTDNCJTL-UHFFFAOYSA-N 303.431 3.292 0 40 DGAB CC(C)C(=O)Nc1nnc(-c2ccc(Br)cc2)o1 5169724 YCBLZSSUSUADGJ-UHFFFAOYSA-N 310.151 3.094 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)c(C)o1 5992275 MAFFKWUTTCGYHD-NSHDSACASA-N 305.305 3.220 0 40 DGAB Cc1cc(C(=O)CSc2nnc(N)s2)c(C)n1C(C)C 7534990 GORJXJPGOIHLHY-UHFFFAOYSA-N 310.448 3.095 0 40 DGAB Cc1csc(SCC(=O)N(C)Cc2ccc(F)cc2)n1 7784220 SADSBPCBAKNEJQ-UHFFFAOYSA-N 310.419 3.341 0 40 DGAB c1csc(-c2cc(CSc3nnnn3C3CC3)no2)c1 8232150 CUWRUXSYCOMHJD-UHFFFAOYSA-N 305.388 3.017 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2cc(F)ccc2C)c1C 8752285 ABTWYQUCNZNUSA-UHFFFAOYSA-N 304.321 3.118 0 40 DGAB CC(=O)c1ccc(C)cc1OCC(=O)NCC1CCCCC1 9384426 JLCBKVHGBOGYTG-UHFFFAOYSA-N 303.402 3.273 0 40 DGAB O=C(COc1ccccc1)NCc1cc(-c2ccccc2)on1 12235407 WHUIEJBCYKBHHP-UHFFFAOYSA-N 308.337 3.037 0 40 DGAB CCC(=O)Nc1cccc(NS(=O)(=O)c2cccs2)c1C 12544741 SRLVVWPMICWZMC-UHFFFAOYSA-N 324.427 3.206 0 40 DGAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccccc1F 12625992 HORCPAOVEQYCFE-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB C[C@@H](c1ccccc1)N(C)c1ccc2nnc(C(F)(F)F)n2n1 12854489 JPDYRSPQRXNDDK-JTQLQIEISA-N 321.306 3.341 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc3ccccc3n2)c1 12946653 PPEZRCMZCPMPJO-UHFFFAOYSA-N 306.321 3.274 0 40 DGAB Cc1ccc(F)c(NC(=O)CCCNC(=O)c2ccsc2)c1 12987218 KYDSSBNPPAGQMS-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB Cc1nc(SCC(=O)NCc2ccccc2)[nH]c1CC(C)C 13945127 GXSNRIXPVXSQQT-UHFFFAOYSA-N 317.458 3.325 0 40 DGAB CCc1nnc(SCC(=O)Nc2cc(C)ccc2C)n1CC 13992502 VWFQGCRQKRFESS-UHFFFAOYSA-N 318.446 3.208 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)s1 14184422 SZIGPOGXEFKPFR-UHFFFAOYSA-N 300.383 3.436 0 40 DGAB Cc1occc1C(=O)N1CCN(C/C=C/c2ccccc2)CC1 20295929 URWBPQYCNWNPPU-VMPITWQZSA-N 310.397 3.059 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)s1 21343746 JGOSNRLIWWEQBW-RTXFEEFZSA-N 309.431 3.297 0 40 DGAB Cc1ccc(C)c(OCc2cc(=O)n3cc(C)sc3n2)c1 21368814 INNFOKVFFYHRSD-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1ccnn1C1CCCC1 27664189 QXHYFDJZSQPIDI-UHFFFAOYSA-N 303.337 3.155 0 40 DGAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1ccc(O)cc1 27916512 DFSLOKXJIQXJGG-UHFFFAOYSA-N 311.316 3.028 0 40 DGAB Cc1cc(C)c2c(n1)oc1c(=O)n(Cc3ccccc3)cnc12 32102472 NGGULHUCIHJQKD-UHFFFAOYSA-N 305.337 3.203 0 40 DGAB C[C@H]1CN(C(=O)[C@@H](C)Oc2cccc3ccccc23)C[C@@H](C)O1 32647970 KIEIPMXYKQSFNX-QLFBSQMISA-N 313.397 3.243 0 40 DGAB CCn1c2ccccc2c2cc(NC(=O)CN(C)C(C)=O)ccc21 32815763 LRYPLOBYNSPVBT-UHFFFAOYSA-N 323.396 3.231 0 40 DGAB O=C(NCCOc1ccc2ccccc2c1)NCc1ccco1 32841233 NZICQKLQWNQXHZ-UHFFFAOYSA-N 310.353 3.311 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)Nc1ccc2[nH]ncc2c1 36375003 JHMBQMVFOAGZKD-UHFFFAOYSA-N 321.789 3.326 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](C(=O)O)CC[C@@H]1c1ccccc1 38540370 CALATTICCPJTQS-UONOGXRCSA-N 305.374 3.459 0 40 DGAB Cc1ccc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)nc1 39954100 HRVHMZINXPJVOY-AWEZNQCLSA-N 306.406 3.416 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1Cl 48689059 FRKQYGFRJJPIOK-SMDDNHRTSA-N 308.809 3.282 0 40 DGAB Cc1nccc(CNC(=O)N[C@@H](C)c2ccc(C(C)C)cc2)n1 56473603 USAUKTMTKBMMPF-ZDUSSCGKSA-N 312.417 3.469 0 40 DGAB CC1CCN(C[C@@H]2CCCN(C(=O)NC3CCCCC3)C2)CC1 57924563 MGZCMHKOZHCAQF-KRWDZBQOSA-N 321.509 3.473 0 40 DGAB COCCc1nc(-c2ccc(N3CCCC3=O)cc2)cs1 58129924 VRJPPRZFFDMNOO-UHFFFAOYSA-N 302.399 3.126 0 40 DGAB COc1ccccc1NC(=O)CN[C@@H](C)c1ccc(F)c(F)c1 58146357 BDPKKAHHFPGCEV-NSHDSACASA-N 320.339 3.263 0 40 DGAB CN(Cc1ccncc1)C(=O)c1cc(-c2cccc(F)c2)no1 58329118 SVMJADWEUJURTB-UHFFFAOYSA-N 311.316 3.148 0 40 DGAB O=C(NC1(c2ccccc2)CCC1)c1cc(=O)[nH]c2ccccc12 58356864 WTNXZJKKWJKWLQ-UHFFFAOYSA-N 318.376 3.337 0 40 DGAB Cc1cc(CNC(=O)N[C@H]2CCSc3ccc(F)cc32)on1 61857310 VXAAMIQWNSKOFP-ZDUSSCGKSA-N 321.377 3.158 0 40 DGAB Cc1cc(C)c(NC(=S)N[C@H]2CCN(C3CC3)C2)c(Cl)c1 66010822 OUTBZHGJUFWRCA-LBPRGKRZSA-N 323.893 3.480 0 40 DGAB COc1cccc(CCCNC(=O)Nc2ccccc2OC)c1 67013225 PVKRHSGARZEXHZ-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)c1 69451835 RUYVSTLCHZMXPD-MRXNPFEDSA-N 301.434 3.181 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2C[C@@H](C)CC[C@H]21 71825522 VLGGSSPYQQXWST-XGWLTEMNSA-N 303.450 3.007 0 40 DGAB Cc1noc(Cl)c1CCC(=O)NCC1(c2ccccc2)CC1 71830346 KZQIXDFEKLUCTJ-UHFFFAOYSA-N 318.804 3.417 0 40 DGAB CCCCC1CCC(NC(=O)C(=O)Nc2c(C)noc2C)CC1 77736778 MQYCPBCMNZTMMR-UHFFFAOYSA-N 321.421 3.095 0 40 DGAB COc1c(C)cnc(CSc2nnc(CSC)o2)c1C 78709234 VIJXLOHFGJTJKN-UHFFFAOYSA-N 311.432 3.245 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)C(=O)N(C)[C@@H](C)c1ccco1 79043587 IXXVHGCRQPTTBA-STQMWFEESA-N 315.373 3.009 0 40 DGAB O=C(c1cccc2ncccc12)N1CCc2ccc(O)cc2C1 79998185 ZMHFIJBMOTZYAZ-UHFFFAOYSA-N 304.349 3.139 0 40 DGAB COc1cccc(NC(=O)N[C@H]2CCO[C@@H]2c2ccccc2)c1 83062633 FWMNEICQRXBPDI-DLBZAZTESA-N 312.369 3.347 0 40 DGAB Cc1ccc(-n2nnnc2SC[C@@H]2Cc3ccccc3O2)cc1 84177475 IGSZWISTNJJIJE-HNNXBMFYSA-N 324.409 3.067 0 40 DGAB Cc1ccccc1[C@H]1CCN(C(=O)NCCc2ccccn2)C1 84235527 KBPVDQWQEOLERQ-INIZCTEOSA-N 309.413 3.132 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccc(OC)cc1 85397451 LRRHHVWUVREEBI-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB CCc1cc(CNC(=O)N(C2CC2)[C@@H](C)c2ccco2)[nH]n1 86401708 LZTMOFNDYKXQLJ-NSHDSACASA-N 302.378 3.000 0 40 DGAB O=C1[C@@H](SCc2ccon2)CCCN1Cc1ccccc1 89603861 JHSCDSRDRKICHG-HNNXBMFYSA-N 302.399 3.099 0 40 DGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)N(C)CC1CCC1 89608811 CZVKUIXTYTYAKE-UHFFFAOYSA-N 306.431 3.277 0 40 DGAB Cc1nc(CCN[C@H](C)c2nc3ccccc3n2C)cs1 91283125 HETDHJGZXWYDPE-LLVKDONJSA-N 300.431 3.232 0 40 DGAB CCOc1ccc(CN2CCC[C@H](c3cn[nH]c3)C2)cc1OC 92810115 SRSACEXFEPLWHC-HNNXBMFYSA-N 315.417 3.197 0 40 DGAB O=C(CC1(O)CCCC1)N1CCC(c2ccc(F)c(F)c2)CC1 95405560 MYVWWBGMKIDUQS-UHFFFAOYSA-N 323.383 3.366 0 40 DGAB Cc1nc(CN[C@H](C)CC(=O)N2CCCCCC2)sc1C 95423525 VFMROWHHQQAYRH-GFCCVEGCSA-N 309.479 3.031 0 40 DGAB Cc1cccc(NC(=O)N[C@@H]2CCC3(C2)OCCO3)c1Cl 95464609 MSGXMVVQAMETQN-LLVKDONJSA-N 310.781 3.066 0 40 DGAB Cc1cnc2c(c1)cc(Cl)n2S(=O)(=O)c1ccccc1 95920011 BIIDYTGLHPZISU-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB COc1ccc(CN(C)c2nc(C)cc(C)n2)cc1OC(F)F 95948922 ZWMRRJKANVLTOO-UHFFFAOYSA-N 323.343 3.340 0 40 DGAB CCc1ncc(C(=O)NCc2csc(C(C)(C)C)n2)s1 95958237 CISCRVBWTBVWGT-UHFFFAOYSA-N 309.460 3.390 0 40 DGAB CO[C@@H]1[C@H](C)[C@@H](NCc2nc3ccc(Cl)cc3n2C)C1(C)C 95989225 OTTKKFMDDJIDBM-UHNFBRDESA-N 321.852 3.376 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 95989351 DCXCWXWFNSMODT-OKZBNKHCSA-N 323.392 3.267 0 40 DGAB O=C(NCc1ccccc1CO)NCC1CCCCCCC1 95989758 SYTCZGSTBUAEQY-UHFFFAOYSA-N 304.434 3.339 0 40 DGAB COc1ccccc1CCNC(=O)Nc1ccnc(C)c1Cl 96013002 CCDIPMDLHKTQJO-UHFFFAOYSA-N 319.792 3.416 0 40 DGAB Cn1cnc2c1[C@@H](COCC1CC1)CN(Cc1cccs1)C2 96044891 JKSKJPJFDUSNQA-CQSZACIVSA-N 317.458 3.008 0 40 DGAB c1ccc(CN2[C@@H]3CC[C@@H]2c2cnc(N4CCCC4)nc2C3)cc1 100725782 XPXCKISMLHBMSR-VQIMIIECSA-N 320.440 3.339 0 40 DGAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1ccc(-c2ccccc2)o1 101720611 NKLMFHDOCIAWIF-GFCCVEGCSA-N 323.348 3.140 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)cc1C 102073051 BCPLDXUYTFDQDJ-KWRZAIAESA-N 311.381 3.011 0 40 DGAB Cc1nc(C2(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)CCCC2)no1 107489032 JOKGJRQTNZTBBI-IHRRRGAJSA-N 303.406 3.090 0 40 DGAB CCCN(CC(=O)O)C(=O)c1cc(C2CC2)nc2ccccc12 184882705 LTCGWSODKHTSRA-UHFFFAOYSA-N 312.369 3.049 0 40 DGAB Cc1cc(NC(=O)c2cnccn2)ccc1Oc1ccncc1 193191264 SUOSYRMDNXFVEX-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CCC 222993686 GSURJVFCOUYHPG-HNNXBMFYSA-N 304.434 3.120 0 40 DGAB CC(C)(C)NC(=S)Nc1ccc(Sc2ncccn2)nc1 223883451 JLEXOFXROMNIHO-UHFFFAOYSA-N 319.459 3.108 0 40 DGAB CCN(CCCNC(=O)c1cccc(F)c1)c1ccccc1 224959867 ZXXPQYYHDXZOJQ-UHFFFAOYSA-N 300.377 3.472 0 40 DGAB CCOCCCNC(=O)CCc1c(Cl)cccc1Cl 225350677 NYOOTICBHMBFDS-UHFFFAOYSA-N 304.217 3.469 0 40 DGAB COCCNC(=O)c1cccc(OCc2ccccc2Cl)c1 225776632 FBFQQYNMMNJRGB-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB CCOc1ccc(NC(=O)[C@]2(OCC)CCC[C@@H](C)C2)cn1 225899883 CMFFMXNQPYTPRA-DYVFJYSZSA-N 306.406 3.404 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2c(C)cc(C)cc2N)c1 226349626 FSJUNILEERNSCP-UHFFFAOYSA-N 300.358 3.155 0 40 DGAB COc1cc(C(=O)NCc2ccc(C)cc2)n(-c2ccccc2)n1 227162269 UZVDXHUDADAORN-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB Cc1ccccc1OCC(=O)NCc1ccc(-c2ccco2)nc1 238967011 ZAUVXULFVSDSCQ-UHFFFAOYSA-N 322.364 3.345 0 40 DGAB CCn1nccc1-c1cc([C@H]2CCCN(C(C)C)C2)nc(C)n1 257222005 DRMYFFSLCKYQRF-HNNXBMFYSA-N 313.449 3.256 0 40 DGAB Cc1ccc(Cl)cc1-c1ccc(/C=C2/NC(=O)N(C)C2=O)o1 409195045 SRCAMIWPNVQBMV-MDWZMJQESA-N 316.744 3.431 0 40 DGAB O=C(O)[C@@H](c1ccccc1Cl)N1Cc2ccccc2C1=O 575442351 BKYRVETWKLBGPD-CQSZACIVSA-N 301.729 3.122 0 40 DGAB c1cnc2c(c1)CN(c1ncnc3sc4c(c13)CCCC4)C2 578883596 VFMCARQSVIXOOD-UHFFFAOYSA-N 308.410 3.485 0 40 DGAB CC1(c2ccccc2)CCN(c2cc(O)nnc2Cl)CC1 585141512 AXBSOBGABDSVNN-UHFFFAOYSA-N 303.793 3.394 0 40 DGAB Cc1cc(CNC(=O)c2sc(-c3ccccc3)nc2C)ncn1 585359651 LVSOWWUCNKLJHN-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB CCOc1cnc(C(=O)N2c3ccc(Cl)cc3C[C@H]2C)cn1 1515041042 LFWNLFUIKWIGHH-SNVBAGLBSA-N 317.776 3.120 0 40 DGAB Fc1ccc(CN2CCC(COc3cnccn3)CC2)cc1F 1849842069 HGBGZPWLVUMKCV-UHFFFAOYSA-N 319.355 3.046 0 40 DGAB CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1cccc2ccccc12 62316 DPFAJACZNFMVPC-MRXNPFEDSA-N 310.353 3.031 0 40 DGAB CCOc1ccc2cc(C(N)=O)/c(=N/c3cccc(C)c3)oc2c1 197548 VWEIRDPLZTYRGY-VZCXRCSSSA-N 322.364 3.471 0 40 DGAB COC(=O)C[C@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 2288951 UVXFBZVCTOOLCL-UJGDBWEASA-N 309.365 3.120 0 40 DGAB O=C1S[C@@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1 2333667 WZSZWOWRZWSEMN-CYBMUJFWSA-N 302.330 3.464 0 40 DGAB COc1ccc(COC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1F 3516886 DMACQYGALNCZPQ-UHFFFAOYSA-N 319.332 3.339 0 40 DGAB CN(C)c1cccc(C(=O)OCC(=O)c2c[nH]c3ccccc23)c1 3571393 MOPSMXRKGIUABW-UHFFFAOYSA-N 322.364 3.274 0 40 DGAB COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)O)c(OC)c1 4200356 CGYPKWJUOUPNND-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB Cc1ccc2cc3c(NC(=O)c4cccnc4)nn(C)c3nc2c1 4296178 ZARVOCUCXXPXPA-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB CNC(=O)c1ccsc1NC(=O)CSc1ccc(C)cc1 4496484 DBUNHCURBIJMMS-UHFFFAOYSA-N 320.439 3.147 0 40 DGAB Cc1ccccc1OCC(=O)Nc1nnc(C(C)(C)C)s1 4694985 VLKIAASYLGBFKZ-UHFFFAOYSA-N 305.403 3.162 0 40 DGAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(c1cccnc1)C3 5347667 DPXPAZYMFXJKST-UHFFFAOYSA-N 320.348 3.033 0 40 DGAB O=C(Oc1ccccc1)N1CCN(c2ccccc2F)CC1 5353994 VZXNCYURITYJLV-UHFFFAOYSA-N 300.333 3.147 0 40 DGAB Cc1ccc(/C=C/C(=O)O[C@H](C(=O)N(C)C)c2ccccc2)cc1 5505297 JRTYNVPIHRLXGX-KQDNUWKFSA-N 323.392 3.381 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1cc(F)ccc1F 6375101 DBEDOCVCRVQOST-UHFFFAOYSA-N 319.307 3.079 0 40 DGAB Cc1nnc(SCc2nc(-c3cccs3)no2)n1C1CC1 6880498 ARAJWRNPSMIJFS-UHFFFAOYSA-N 319.415 3.325 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H](C)Sc1cccc[n+]1[O-] 7302699 ZGGSTPDQHUMDJR-NSHDSACASA-N 322.817 3.401 0 40 DGAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)c(F)c1 7404561 QHROGYBENCTIJT-LLVKDONJSA-N 323.364 3.495 0 40 DGAB CCOC(=O)c1ccc(NC(=S)Nc2cccc(C)n2)cc1 8682874 BWYMAOHZBZWWMR-UHFFFAOYSA-N 315.398 3.376 0 40 DGAB aggregator CCc1c(C(=O)Nc2cccc(C)c2)nnn1-c1ccccc1 8715272 FBNCVWOBBWCQNO-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cn1ccc([C@H]2CCCCCN2C(=O)c2ccc(F)cc2)n1 12133686 CWTHWWGCZUEGDA-MRXNPFEDSA-N 301.365 3.317 0 40 DGAB CC[C@H](CN1CCCCC1)NC(=O)C1(c2cccc(F)c2)CC1 12362996 SMYLKMAVONSAOQ-QGZVFWFLSA-N 318.436 3.238 0 40 DGAB O=C(N[C@H]1CCCN(C2Cc3ccccc3C2)C1)C1=CCCCC1 12612703 IMSBTPYGXKNHSQ-IBGZPJMESA-N 324.468 3.235 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NC2CCC(C(F)(F)F)CC2)c1 12740609 HCNPRMCTELGROD-UHFFFAOYSA-N 302.296 3.068 0 40 DGAB O=c1c2ccc(Cl)cc2ncn1C[C@H]1CC1(Cl)Cl 12751070 BYOGNXJYWZRJRH-SSDOTTSWSA-N 303.576 3.244 0 40 DGAB COc1cc(/C=C/C(=O)N2CCCC[C@@H]2C)cc(OC)c1OC 12853471 DMSCVBBJKGNJLK-XEHSLEBBSA-N 319.401 3.127 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 12867516 BLVRLCLXAKMWDX-GOSISDBHSA-N 309.365 3.072 0 40 DGAB C[C@@H](NC(=O)c1ccc[nH]c1=O)c1ccc(Cl)c(Cl)c1 12999029 AABUUANQZPGGJR-MRVPVSSYSA-N 311.168 3.173 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cc(C)nn2CC)cc1C 13699652 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Cc1cc(SCCC(=O)Nc2cc(C)on2)nc(C(C)C)n1 10577670 USGDIBOXYJNYSD-UHFFFAOYSA-N 320.418 3.326 0 40 DGAB Cc1cc(C(=O)Nc2ncccc2C)c2cnn(C(C)C)c2n1 10810016 AIYCHOVMHBBLFX-UHFFFAOYSA-N 309.373 3.276 0 40 DGAB C[C@@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3)n2)CCO1 11500373 GZHHSCNCCRQPCT-SNVBAGLBSA-N 322.817 3.324 0 40 DGAB Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCCOc1ccccc1 11692654 LXYCJXDWSAJODY-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB C=Cn1ncc(CN2CCC(O)(c3ccccc3C)CC2)c1C 12188738 ZLHNREZFHYXLSJ-UHFFFAOYSA-N 311.429 3.084 0 40 DGAB c1ccc2c(-c3nn4c(-c5ccncc5)nnc4s3)c[nH]c2c1 13718392 HYPQWVJUPSIPPM-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB COc1ccc2c(CN3CCn4cccc4[C@H]3C)cc(=O)oc2c1 15416749 GPFWSSAHUWGQAV-CYBMUJFWSA-N 324.380 3.180 0 40 DGAB CCOCCOc1ccccc1CNCc1ccc(OC)cc1 19737653 IOPBNQPFUVQCRB-UHFFFAOYSA-N 315.413 3.400 0 40 DGAB Oc1ccc(N2CCN(Cc3cccc(Cl)c3)CC2)cc1 23653652 CHDXIAXMEAGPPA-UHFFFAOYSA-N 302.805 3.368 0 40 DGAB Cc1cc(S[C@H](C(=O)NC2CC2)c2ccccc2)nc(C)n1 24567863 ZJRSEYOFSWOFCD-INIZCTEOSA-N 313.426 3.205 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1ccc(-n2cccn2)cc1 24591511 RLFNJTLRZDZQNZ-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 24975903 OHINYJSHFPARGA-AWEZNQCLSA-N 323.396 3.442 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)c1nc2ccccc2c(=O)[nH]1 28210289 GVHBBPGKZJMNAU-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB O=C(NCCc1ccccc1)N1CCO[C@@H](c2ccccc2)C1 31034082 QAQJZDRXAAKPHI-GOSISDBHSA-N 310.397 3.012 0 40 DGAB O=C(Nc1cccc(F)c1)c1c[nH]c2ccc(F)cc2c1=O 32606293 XCAVNZRURFVZKC-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 36635440 PCTWEIAMLWRJHJ-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)cc1C 36635705 FRAKLDFLDALHCG-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1nnc([C@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 38666516 MTKAZOLAIPKEJK-LBPRGKRZSA-N 305.378 3.005 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(C(=O)N(C)C)c1 43992882 YGVLVOQPNDMXDI-SWLSCSKDSA-N 303.406 3.089 0 40 DGAB c1ccc(CN2CCC(Nc3nc4ccccc4o3)CC2)nc1 44976574 KXHBWLYOHZXVIE-UHFFFAOYSA-N 308.385 3.299 0 40 DGAB COC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(Cl)cc2)o1 45819575 KBYXNOAJFWDPQC-LLVKDONJSA-N 322.792 3.079 0 40 DGAB Cc1cc(C(=O)N2CCC(Oc3c(C)cccc3C)CC2)on1 46397647 VEKYYBYTBFVABO-UHFFFAOYSA-N 314.385 3.283 0 40 DGAB Cc1cc(C)c([C@H](C)N2CCN(C(=O)C3CC3)CC2)c(C)c1 48302926 URLFLTYNOZFWEI-INIZCTEOSA-N 300.446 3.227 0 40 DGAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1ccccn1 48349426 RUJBKXNSWFLTLQ-UHFFFAOYSA-N 310.401 3.346 0 40 DGAB Cc1ccc(CNCc2ccc(-n3cncn3)c(F)c2)c(C)c1 48747575 YVVDCJAKQIWUIA-UHFFFAOYSA-N 310.376 3.313 0 40 DGAB C[C@@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 57743855 ZQYJQWYFOGCGPE-CYBMUJFWSA-N 321.380 3.403 0 40 DGAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccncc3)C2)CC1 58174424 MVNNHEWKABFNIB-INIZCTEOSA-N 316.449 3.057 0 40 DGAB Cn1cc(Nc2nc(-c3cccnc3)nc3ccccc23)cn1 58247224 PAMJSGMWDZIGPK-UHFFFAOYSA-N 302.341 3.169 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)/C=C/c2ccccc2F)C1 58427254 BRRBFZSELIDZRA-AUECHBEKSA-N 318.436 3.466 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)sc2c1)NC1CCOCC1 58454216 ARTNNQVIFBMOKT-UHFFFAOYSA-N 317.414 3.474 0 40 DGAB COc1ccc(CCC(=O)NCCCOC2CCCC2)cc1 61259187 ZGOATZRDFNCFRT-UHFFFAOYSA-N 305.418 3.093 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 65554522 RQIIKDLOXLFCCG-GFCCVEGCSA-N 309.435 3.484 0 40 DGAB CCc1nc(CN2CCN(c3cccc(OC)c3)CC2)cs1 65605348 CNVBQWNZHJADRA-UHFFFAOYSA-N 317.458 3.036 0 40 DGAB O=C(Cc1noc2ccccc12)NCC1(c2ccc(F)cc2)CC1 65625354 HECGTPNMYFGVTG-UHFFFAOYSA-N 324.355 3.357 0 40 DGAB Cc1cc(C)cc(-c2nnc(CC(=O)n3nc(C)cc3C)o2)c1 67172658 GSPPJPSCZGHNEJ-UHFFFAOYSA-N 310.357 3.050 0 40 DGAB Cc1c(C(=O)N2CCCC[C@H]2C2OCCO2)oc2ccccc12 69490744 BQSTWYSKNRPPMP-AWEZNQCLSA-N 315.369 3.109 0 40 DGAB COc1ccc(C)cc1[C@@H](C)N[C@@H](C(N)=O)c1ccc(F)cc1 69627469 ZKPYPJMWNJMWHJ-SJKOYZFVSA-N 316.376 3.020 0 40 DGAB CC[C@H](NC(=O)Cc1cccc(OC)c1)c1nc(C)cs1 69809518 KCNLSHYJRKJBOK-AWEZNQCLSA-N 304.415 3.270 0 40 DGAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 70021671 VBEDUKLLHPWQQM-HZPDHXFCSA-N 319.449 3.129 0 40 DGAB CCCn1c(=O)nc(N)c2c(-c3ccc(OC)cc3)csc21 71281277 NEBVQARSYDJTFY-UHFFFAOYSA-N 315.398 3.126 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 71796960 RTFLKNNTFQJXBP-MRXNPFEDSA-N 315.442 3.260 0 40 DGAB CC[C@H](Nc1ccc(OCc2ccco2)c(Cl)c1)C(N)=O 71902657 ONKMHUCBDXFFGL-ZDUSSCGKSA-N 308.765 3.188 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CC2CCCC2)n1 75129584 UIESQXSTCSTBBA-QGZVFWFLSA-N 303.450 3.461 0 40 DGAB Cc1ccc2nc(NC(=O)[C@H]3CSCCS3)sc2c1 75567880 CQZYWLGWLLQGAH-LLVKDONJSA-N 310.469 3.392 0 40 DGAB CC(C)n1cc(CC(=O)NCc2ccccn2)c2ccccc21 79481013 BLNQVYMYEXEZAN-UHFFFAOYSA-N 307.397 3.476 0 40 DGAB CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NCc1c(C)noc1C 79751366 ZGJAYRXKNARYPN-PJODQICGSA-N 308.422 3.282 0 40 DGAB COC[C@H](NC(=O)N[C@@H]1CCc2c(F)cccc21)c1ccco1 83897932 WWDNWYNFTOGGHE-CABCVRRESA-N 318.348 3.093 0 40 DGAB Cc1nc([C@@H]2CCCN2Cc2cc(Cl)c3c(c2)OCO3)no1 84281022 WYGUDKDZVVRNFO-LBPRGKRZSA-N 321.764 3.097 0 40 DGAB COc1ccc([C@H](C)NCCc2nc(C(C)C)no2)c(OC)c1 89577288 JYFCZCPRMHRCEK-LBPRGKRZSA-N 319.405 3.104 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](O)c1cccc(C(F)(F)F)c1 89662522 JPWGSQYQGOGOLL-NSHDSACASA-N 305.296 3.264 0 40 DGAB O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@]2(CCOC2)C1 89793800 KEBZJXLOIRKYNY-SFHVURJKSA-N 314.360 3.073 0 40 DGAB CCO[C@@H]1C[C@@H](NC2CCN(C(=O)CC)CC2)C12CCCCC2 89941631 CTVRXOLIWGNOSK-IAGOWNOFSA-N 322.493 3.105 0 40 DGAB c1ncc(CN2CCC[C@@H](c3nc4c(s3)CCCC4)C2)[nH]1 93840956 XADQWUJHDBOQFL-GFCCVEGCSA-N 302.447 3.125 0 40 DGAB Cc1[nH]ncc1CCCN[C@H]1CSCCc2ccccc21 95420044 OFYVPSSSPRYMMN-KRWDZBQOSA-N 301.459 3.271 0 40 DGAB COc1cc(C(C)=O)ccc1OC[C@H](O)c1ccccc1F 95974876 HHQCITKLKBPTKP-HNNXBMFYSA-N 304.317 3.149 0 40 DGAB O=C(c1ccco1)N1CCCC12CCN(Cc1ccoc1)CC2 96049325 LALQCOURXGNBGY-UHFFFAOYSA-N 314.385 3.143 0 40 DGAB O=C(c1ccsc1)N1CCN(CC2CC2)c2ncccc2C1 96060979 FKCOYXYPGHTQAS-UHFFFAOYSA-N 313.426 3.016 0 40 DGAB CO[C@@H](CNC(=O)c1c(F)cccc1F)c1ccccc1C 96104945 BZHBPHHWRPQBNH-HNNXBMFYSA-N 305.324 3.391 0 40 DGAB COc1ccc(Cc2nc3nccc(-c4ccccc4)n3n2)cc1 96345058 LYBMXTOKUARRAD-UHFFFAOYSA-N 316.364 3.391 0 40 DGAB CN(C)Cc1ccc(C(N)=O)cc1NCc1ccc(Cl)s1 96482918 HHMVTNWXTWMFQN-UHFFFAOYSA-N 323.849 3.174 0 40 DGAB CC(C)(C(=O)O)c1ccc(NC(=O)c2ccnc(Cl)c2)cc1 97228550 OCTPDJQEYPPYQW-UHFFFAOYSA-N 318.760 3.350 0 40 DGAB COc1ccccc1Cn1c(=S)[nH]c2ccsc2c1=O 100020575 UJZXMADSFAVOAI-UHFFFAOYSA-N 304.396 3.177 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 102597198 MRDDKGSOAPBVGT-VOAKCMCISA-N 311.376 3.070 0 40 DGAB OC[C@@H]1[C@H](CO)[C@H]2CC[C@H]1C2(c1ccccc1)c1ccccc1 104068241 PCXZMSHDACDQDE-IYWMVGAKSA-N 308.421 3.230 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOCc2ccccc2)cc1 177066235 MXHBQXUXTPDCMB-MRXNPFEDSA-N 313.397 3.095 0 40 DGAB Cc1ccc2c(c1)[C@@H](NCCc1nnc3ccccn13)[C@H](C)C2 195553433 SQDCJONJRDZIAB-KUHUBIRLSA-N 306.413 3.103 0 40 DGAB CCOc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)O)cc1 225106551 ZDMMQLUPMGRIHH-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB CCN(CC)C(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152752 RACXJLYVJHJEID-LBPRGKRZSA-N 321.808 3.161 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)Cc2cccs2)ccn1 257208566 BMRWYCLDIDFSBX-CQSZACIVSA-N 301.415 3.091 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)CN3CCCCCC3)C2)s1 257282742 OVCKSESAHHWLHR-HNNXBMFYSA-N 321.490 3.034 0 40 DGAB C[C@@]12C[C@H]3CN[C@@H]1CCCC[C@@H]2N3C(=O)OCc1ccccc1 309882794 KCTMWICTANZANU-MJQMVNBJSA-N 314.429 3.318 0 40 DGAB COc1ccc2c(c1)OC(C)(C)CN(c1nc(C(C)C)no1)C2 333884716 VNCRJEDKJQKXRT-UHFFFAOYSA-N 317.389 3.379 0 40 DGAB N[C@@H]1C[C@@H]2C[C@@H](c3nc(Cc4cccc(Cl)c4F)no3)C[C@@H]21 1553318557 WKZULZCITCVTND-SRRSOLGSSA-N 321.783 3.294 0 40 DGAB COc1ccc(OC)c(-c2csc(NC[C@@H]3CCCO3)n2)c1 413990 WJFHNOAHJONGLK-LBPRGKRZSA-N 320.414 3.418 0 40 DGAB Cc1cc2ccccc2n2c(SCC(=O)OC(C)C)nnc12 415014 FFTDCTKWECBHSN-UHFFFAOYSA-N 315.398 3.235 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc2oc(=O)ccc2c1 586931 PVSXKQKEFZABHD-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)no1 795355 SNIUMUQOZVKZSB-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(OC)cc2)c1 1017213 QQZGVKVAVIMARI-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CCOC(=O)CCCCCC(=O)c1cc(OC)ccc1OC 2580430 DRROUPKCJQINEV-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB CCN(C(=S)NC(=O)/C=C/c1ccco1)c1ccccc1 3153094 HDLKMCRSWVHURP-ZHACJKMWSA-N 300.383 3.220 0 40 DGAB CCCCCOc1ccc(N2C(=O)[C@@H](C)CNC2=S)cc1 5550666 QFGUQQMISSYDDW-LBPRGKRZSA-N 306.431 3.113 0 40 DGAB CC1CCN(Cn2nc(-c3ccccc3F)n(C)c2=S)CC1 7074500 QXJKGUHIRATONS-UHFFFAOYSA-N 320.437 3.447 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)cc1F 7920338 KHYVWOQBWHKJDA-UHFFFAOYSA-N 301.317 3.218 0 40 DGAB COc1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 8312935 GTXBITOEBXYTDS-HNNXBMFYSA-N 324.424 3.105 0 40 DGAB COc1ccc(C(=O)COC(=O)c2c(C)oc(C)c2C)cc1F 8420640 VVOROOJUMSQVDE-UHFFFAOYSA-N 320.316 3.392 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)CC)c2ccccc12 9062040 NYLQLLMSOZXSSO-LBPRGKRZSA-N 307.415 3.315 0 40 DGAB C[C@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1 9547027 GSZNTINQNJDHPT-LLVKDONJSA-N 316.323 3.398 0 40 DGAB Cc1ccc2cc(CSc3n[nH]c(N)n3)c(Cl)nc2c1C 9874528 LMDVKDKLUUXSED-UHFFFAOYSA-N 319.821 3.498 0 40 DGAB Cc1ccc2c(c1)c(C)c(C(=O)NCCC[C@@H]1CCOC1)n2C 12148658 PWESDUDRCURJJI-OAHLLOKOSA-N 314.429 3.342 0 40 DGAB COc1ccc([C@H](Nc2ccc(C)cc2)P(=O)(O)O)cc1 12523021 LXDWJTRRDNMVJP-OAHLLOKOSA-N 307.286 3.292 0 40 DGAB Cc1c(Nc2ccc([C@@H](C)O)cc2)c(=O)n(-c2ccccc2)n1C 12543026 PTTFLVBNYZRHSP-CQSZACIVSA-N 323.396 3.281 0 40 DGAB O=C(NCCCn1ccnc1)c1ccc(-c2ccccc2)cc1 12546493 LHNYQACUGOEBBJ-UHFFFAOYSA-N 305.381 3.370 0 40 DGAB CCOc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)cc1 12692688 QYRGTELFTNVLRY-UHFFFAOYSA-N 313.353 3.385 0 40 DGAB O=S(=O)(c1ccccc1)N1N=C(C2CC2)C[C@@H]1c1ccco1 13014108 IFZOKAJVKRLPCJ-OAHLLOKOSA-N 316.382 3.181 0 40 DGAB CCOC(=O)c1oc2nc(CC(C)C)c3c(c2c1N)CCC3 13207225 LXUAVIPUGDDUJH-UHFFFAOYSA-N 302.374 3.274 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cc(C)nc2onc(C)c12 14205880 OOAHJQBPDYDPPY-UHFFFAOYSA-N 311.341 3.409 0 40 DGAB C[C@H](NC(=O)c1ccc(NC(N)=O)cc1)c1ccc(Cl)cc1 14411748 SNMHQHHHAYVOEI-JTQLQIEISA-N 317.776 3.322 0 40 DGAB CN1C(=O)[C@@H](Cc2ccco2)c2cc(Br)ccc21 15017817 PSHSYJNUDXCBDJ-LBPRGKRZSA-N 306.159 3.345 0 40 DGAB COc1cccc([C@H]2CN(Cc3ccccc3)[C@@H]3CCCN[C@H]23)c1 19566482 SPVUSZZMDLUILH-NJDAHSKKSA-N 322.452 3.415 0 40 DGAB CCc1ccc([C@@H]2Nc3ccccc3C(=O)N2CCOC)cc1 25049573 CDPMSPHNYPNTBM-GOSISDBHSA-N 310.397 3.462 0 40 DGAB CCOc1ccc([C@@H](C)N[C@@H](C)C(=O)Nc2cc(C)on2)cc1 25900404 XVORWAXCJWZPKL-OLZOCXBDSA-N 317.389 3.060 0 40 DGAB CCCCNC(=O)NCc1c(C)nn(-c2ccccc2)c1C 28229545 IQLMEWOWCYWNPQ-UHFFFAOYSA-N 300.406 3.088 0 40 DGAB C[C@H]1CCCCN1C(=O)CCCNC(=O)c1ccc(Cl)cc1 28494410 GZWCOXJRXVOSDE-ZDUSSCGKSA-N 322.836 3.251 0 40 DGAB O=C(NCCc1ccccn1)c1cccnc1Oc1ccccc1 28637400 VVLDJKJYSQLPIE-UHFFFAOYSA-N 319.364 3.241 0 40 DGAB O=C(NCc1nc2ccccc2s1)NCc1ccccc1F 31724054 FKQLMMAXAZLHQU-UHFFFAOYSA-N 315.373 3.435 0 40 DGAB O=C(c1cc(-c2cccs2)on1)N1CCOc2ccccc21 32624475 WDYIYZWKFBTOEM-UHFFFAOYSA-N 312.350 3.442 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2cc(C)on2)cc1OC 32736072 SKKBSDYDNGTGBH-UHFFFAOYSA-N 310.737 3.296 0 40 DGAB Cn1cc(C(=O)Nc2ccc(N3CCc4ccccc43)cc2)cn1 32933572 JNAAPOHTBWUJKA-UHFFFAOYSA-N 318.380 3.367 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)c2ccc3c(c2)CCC3)cn1 40118531 ZVDGHLDSXLDKKM-UHFFFAOYSA-N 318.380 3.317 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)c1ccc2c(c1)CCC2 40121371 PQIDZSLENVECJU-UHFFFAOYSA-N 310.397 3.288 0 40 DGAB O=C1N=C(O)[C@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]12 40402102 SOINPWLBNFOAHL-QRHJNKNDSA-N 309.752 3.357 0 40 DGAB FC(F)(F)COc1ccccc1I 42256017 KRXSODMETLOUAT-UHFFFAOYSA-N 302.033 3.232 0 40 DGAB O=C(CCCOc1ccccc1)NCCOc1ccc(F)cc1 45857288 KRGRKXYLFKLSBH-UHFFFAOYSA-N 317.360 3.180 0 40 DGAB COc1cc(Cl)c(C)cc1N[C@@H](C)C(=O)Nc1cc(C)on1 48332069 QGSASLJEZUMDEP-JTQLQIEISA-N 323.780 3.393 0 40 DGAB COC(=O)c1cccc(NC(=O)Nc2ccc(F)cc2F)c1 51354089 CPAPHTYXDJMCLN-UHFFFAOYSA-N 306.268 3.395 0 40 DGAB CC(=O)Nc1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1 55236066 RKNFFKJYHJQQBJ-UHFFFAOYSA-N 312.417 3.143 0 40 DGAB Cc1ccccc1C1(CNC(=O)c2occc2C)CCOCC1 55760890 HTJHVVCANFWYIL-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB COC(=O)c1cc(NCc2nc(CC(C)C)no2)ccc1Cl 55833964 BMRONPVKCSFPNK-UHFFFAOYSA-N 323.780 3.320 0 40 DGAB CC(=O)Nc1cccc2c1CCN(C(=O)NCCC(C)(C)C)C2 56398641 YAXSOWGPIUNHRL-UHFFFAOYSA-N 317.433 3.149 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2CCC[C@@H](C)[C@@H]21 57068052 NDEOJKBDLQZIEJ-MRAWALMUSA-N 303.450 3.007 0 40 DGAB Cc1cc(CNC(=O)N(C)Cc2c(F)cccc2Cl)on1 60241310 KZVDZAVYZQEFFQ-UHFFFAOYSA-N 311.744 3.117 0 40 DGAB CCC[C@@H](C)N(C)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63810093 ZZZKPBFZAJAWRS-SECBINFHSA-N 305.403 3.259 0 40 DGAB C[C@H](NC(=O)NCc1ccc(F)cc1)c1nc2ccccc2[nH]1 65623507 HWPJRLUYKQDAGG-NSHDSACASA-N 312.348 3.262 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2ccc(F)cc2)cc1 67197457 MRBRFMHZLVLGTM-CYBMUJFWSA-N 315.344 3.168 0 40 DGAB Cc1cc(C)c2cc(C(=O)Nc3ccccc3CC(N)=O)[nH]c2c1 69516972 SWFSGNFDCPDHRC-UHFFFAOYSA-N 321.380 3.065 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccc[nH]2)c(OC)c1 71037251 OGUPVMFNPRSXET-HNNXBMFYSA-N 300.358 3.009 0 40 DGAB CCOc1ncccc1CNC(=O)c1sccc1SC 71884110 ATFJYABDQOHEIQ-UHFFFAOYSA-N 308.428 3.194 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@H]3N1Cc1cccc(O)c1 72336912 SFARDGHPXZAXQZ-WMLDXEAASA-N 320.396 3.005 0 40 DGAB CN(CC[C@@H]1CCCCN1C)C(=O)Nc1cccnc1Cl 75503402 PXPXBIIGGLEWGX-LBPRGKRZSA-N 310.829 3.073 0 40 DGAB CCOc1ccccc1NC(=O)Nc1cnn(-c2ccccn2)c1 76070597 LDNOXJAWUUVCNV-UHFFFAOYSA-N 323.356 3.310 0 40 DGAB COc1ccc(CNCc2ccn(-c3ccc(OC)cc3)n2)cc1 78552868 CQVSUQJCPLDFPZ-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB Cc1ccc(CNC(=O)C2CCCC2)c(OC[C@@H]2CCOC2)c1 87457140 SPQJQSIWBDIUFL-OAHLLOKOSA-N 317.429 3.217 0 40 DGAB Cc1ccc(NC(=O)N[C@H](C(=O)OC(C)(C)C)C(C)C)cc1 89635066 UVEIXYRYKJIBLV-AWEZNQCLSA-N 306.406 3.483 0 40 DGAB COc1ccccc1CC(=O)N[C@H](C)CC(=O)c1ccccc1 89894643 OIGMSADJHCTNSA-CQSZACIVSA-N 311.381 3.015 0 40 DGAB C[C@@H](NC(=O)C[C@](C)(O)C1CC1)c1nc(C(C)(C)C)cs1 89913547 LUIVWTDUUKUHPI-HWPZZCPQSA-N 310.463 3.169 0 40 DGAB Cn1cccc1CN1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 93581870 ONAUFKQJXVGYQC-UHFFFAOYSA-N 312.339 3.147 0 40 DGAB CC(=O)N1CCCc2cc(Nc3ncc(Cl)cn3)ccc21 95406792 UDFOHXVYIBMHMY-UHFFFAOYSA-N 302.765 3.173 0 40 DGAB Cc1cc(CC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)n[nH]1 95427294 LELUHHCJKQQSNX-APWZRJJASA-N 309.413 3.189 0 40 DGAB Cc1cnc(NC(=O)c2oc(C)nc2C)c(Br)c1 95973920 UTMSFXNWWZMCTP-UHFFFAOYSA-N 310.151 3.010 0 40 DGAB CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(OC)cc1)CC2 96047502 PIWSGRUGPRICNF-LJQANCHMSA-N 316.445 3.062 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1n[nH]c2c1CCCCC2 96232486 DHWJJMNKOHYTTA-UHFFFAOYSA-N 322.412 3.132 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96450446 PPLFEXGKSXGKCY-HUUCEWRRSA-N 306.431 3.049 0 40 DGAB CO[C@H](C)c1cccc(NCC(=O)Nc2ccc(Cl)cn2)c1 96452712 ONFXELJYCXDYPK-LLVKDONJSA-N 319.792 3.493 0 40 DGAB COCCCN1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 96501292 MTWYEEUOEOYNKH-CQSZACIVSA-N 303.324 3.115 0 40 DGAB C[C@H](C(=O)O)[C@@H](NC(=O)c1ccccc1F)c1ccccc1 97018290 QDAHNAWFDDRWQF-XHDPSFHLSA-N 301.317 3.018 0 40 DGAB CC(C)CC[C@@H](C)Nc1cccc(N2CCS(=O)(=O)CC2)c1 97095372 ZFQVSVANRPXFRH-OAHLLOKOSA-N 324.490 3.158 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@H](c1ccco1)N1CCCC1 97159160 VUPAKQGXARNPFV-OAHLLOKOSA-N 316.449 3.227 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)CCc1ccncc1 97162301 NQAUEZXVNWZBCZ-KRWDZBQOSA-N 324.424 3.259 0 40 DGAB CN(C)CC(=O)Nc1ccc(N[C@@H]2CCc3ccccc32)cc1 97232129 MZSYLNKTJSMCGG-GOSISDBHSA-N 309.413 3.286 0 40 DGAB CN1CCCN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)CC1 101451249 JDMDJTZNRNWHLW-KNCVXQGMSA-N 304.478 3.147 0 40 DGAB Brc1ccc(-c2noc([C@H]3C[C@H]4CC[C@H]3O4)n2)o1 110658389 OSOWALUEQBRZFX-GJMOJQLCSA-N 311.135 3.127 0 40 DGAB Cn1cnc(-c2cccc(NC(=O)C3CCC(F)(F)CC3)c2)n1 126962073 UFMBPFCXCRNVMW-UHFFFAOYSA-N 320.343 3.246 0 40 DGAB CSC1(CNC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)CCC1 194814559 SLDHBFXUSILYRR-NSHDSACASA-N 318.446 3.209 0 40 DGAB Cc1cc(NC(=O)Nc2ccc([S@](C)=O)cc2)ccc1O 195575680 AIJIBJICIJYTCH-NRFANRHFSA-N 304.371 3.082 0 40 DGAB CCCOCc1cc(C(=O)NCc2ccco2)ccc1OC 224411371 DKWKDDIWGIUCDB-UHFFFAOYSA-N 303.358 3.145 0 40 DGAB CC1(NC(=S)Nc2ccc3c(c2)OCCO3)CCCCC1 225858091 XWHGBLAAGVWULX-UHFFFAOYSA-N 306.431 3.467 0 40 DGAB COc1cc(N)cc(Br)c1NC(=O)C(C)(C)C 227146274 IQGWAVWRLZOYBO-UHFFFAOYSA-N 301.184 3.025 0 40 DGAB COc1cccc2c1O[C@@]13CCCC[C@H]1[C@H]2/C(=C(\C)O)C(=O)N3 252444420 WLDMZPDBLINPTD-MISOFWBESA-N 315.369 3.020 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 253476818 BMXJAVIZWRDJMQ-VDERGJSUSA-N 311.381 3.155 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257222471 DTLAATUPIBKQIY-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB c1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccoc4)C[C@H]2C3)cc1 306133951 NAFLIOPQGUPNNO-QZTJIDSGSA-N 319.408 3.447 0 40 DGAB Oc1nc2ccc(Br)cc2c(O)c1Br 514287301 NWYARMUOTZSXIN-UHFFFAOYSA-N 318.952 3.171 0 40 DGAB CC(C)COc1ccccc1CN1CCC[C@@H](CC(=O)O)C1 567709413 FDGVWFZFSFGHDE-HNNXBMFYSA-N 305.418 3.408 0 40 DGAB CC(C)CO[C@H]1CCN(Cc2ccc3oc(C(=O)O)cc3c2)C1 581889735 JWODMTKXVUGRRM-HNNXBMFYSA-N 317.385 3.378 0 40 DGAB O=C1CCN(C(=O)c2ccc(Cl)o2)[C@H](c2ccccc2)C1 585124637 KLWNGRURYLPZHA-ZDUSSCGKSA-N 303.745 3.479 0 40 DGAB c1ccc2oc(N3CCC(c4nnc(C5CC5)o4)CC3)nc2c1 1341239121 ZNOONGMDAVYVAA-UHFFFAOYSA-N 310.357 3.472 0 40 DGAB CCN(CC)CCNc1ncnc2sc3c(c12)CCCC3 84797 ORBSBKFHNKECMT-UHFFFAOYSA-N 304.463 3.324 0 40 DGAB O=C(CSc1nnc(-c2ccccc2)o1)Nc1ccccc1 266060 OIHKRJPVCHXIMW-UHFFFAOYSA-N 311.366 3.467 0 40 DGAB Cc1ccc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c(C)c1 546261 ILMNAQCAARWHLM-IBGZPJMESA-N 309.365 3.414 0 40 DGAB CCOc1cccc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1 578621 TYTHVFFBKCZCEZ-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB Cc1ccc2c(=O)c(O[C@H](C)C(=O)O)c(-c3ccco3)oc2c1 1910770 MTXPICZJVCAGSB-SNVBAGLBSA-N 314.293 3.213 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1C 2715806 OOPLSVYZKQEFGH-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1nnc(C2CC2)s1 3550748 SGUQMSXTMVANOC-UHFFFAOYSA-N 323.805 3.395 0 40 DGAB C[C@H]1CCCCN1CC(=O)Nc1cccc(Br)c1 3583524 VNTXZBUPVDZJQH-NSHDSACASA-N 311.223 3.262 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1ccccc1SC 4517443 MYYLAKXDRYTSCH-UHFFFAOYSA-N 306.412 3.082 0 40 DGAB O=C(CCCC(=O)Nc1ccccn1)NCCC1=CCCCC1 4676837 RMLRRGMMEIMKNO-UHFFFAOYSA-N 315.417 3.197 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccc(Cl)cc2)c(C)n1C 5077360 MTKDXMPPCSCGKM-UHFFFAOYSA-N 305.761 3.335 0 40 DGAB O=C(OCc1cn2ccccc2n1)c1ccc(-n2cccc2)cc1 5165461 JNGAYAWVSWUUBL-UHFFFAOYSA-N 317.348 3.482 0 40 DGAB C[C@@H]1CCCc2sc3nc(N4CCCC4)n4ncnc4c3c21 5556441 XKLMBNCHKURLDC-SNVBAGLBSA-N 313.430 3.379 0 40 DGAB O=C(Nc1cccc2ccccc12)c1cnc2sccn2c1=O 6496673 ACOSKITUJVJSBI-UHFFFAOYSA-N 321.361 3.162 0 40 DGAB CSc1nc(SCCO)c2sc3c(c2n1)CCCC3 6661277 DLNNHQLKYHTDSR-UHFFFAOYSA-N 312.485 3.376 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)C1CCCCC1 8011600 WGDMKQKNECOFDL-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(O)c1 8917289 XUIBFITZDLVVAI-MRXNPFEDSA-N 321.332 3.064 0 40 DGAB O=C(NCCc1c[nH]c2ccc(F)cc12)NC1CCCCC1 9876044 GZHXDBBXADFFBZ-UHFFFAOYSA-N 303.381 3.481 0 40 DGAB O=C(NOCc1ccccc1)c1ccc(Br)cc1 10318821 MQJLBFUTXICIQN-UHFFFAOYSA-N 306.159 3.311 0 40 DGAB Cc1ccc([C@H](C)C(=O)N2CCC(O)(c3ccccn3)CC2)cc1 12223128 HEAXXLNWSHRTDD-INIZCTEOSA-N 324.424 3.004 0 40 DGAB CCC(=O)NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 12481089 UUXMIMRJZGIOPE-AYHJJNSGSA-N 300.446 3.407 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1ccc(F)cc1)c1ccccc1 12604262 NPSXIJFUVJOKGP-GOSISDBHSA-N 323.371 3.008 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)Cc3ccc(C)cc3)ccc21 12923805 FABFATSXAHWDEQ-UHFFFAOYSA-N 308.381 3.085 0 40 DGAB Cc1csc(NC(=O)c2cc(Br)ccc2O)n1 13548588 NUTVAIPJEZNPPD-UHFFFAOYSA-N 313.176 3.172 0 40 DGAB CCCc1c(C)[nH]c2c(c(C)nn2-c2ccc(OC)cc2)c1=O 13557445 PAQPWTDUBKWULM-UHFFFAOYSA-N 311.385 3.292 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)c1cnn(Cc2ccccc2)c1 14139186 VMIJGLOSCNUSIQ-UHFFFAOYSA-N 323.371 3.343 0 40 DGAB Cn1ncc2c(Nc3ccc(N4CCCCC4)cc3)ncnc21 14205661 ULBLKMFSMRKAKM-UHFFFAOYSA-N 308.389 3.097 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@@H](C)c2ccc(F)c(F)c2)cc1 14574928 RZBZQGQKERYYFA-JTQLQIEISA-N 319.307 3.242 0 40 DGAB CCOc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1 17826827 RGIYFFYCSVTIJN-UHFFFAOYSA-N 312.413 3.342 0 40 DGAB O=C(CSc1ccccc1)NCCSc1ccccn1 20238392 UQWRSZABEIAUER-UHFFFAOYSA-N 304.440 3.082 0 40 DGAB Cc1csc(CNC(=O)c2cc3ccc(F)cc3nc2C)n1 21483261 ACAZDEDXOPOOEZ-UHFFFAOYSA-N 315.373 3.377 0 40 DGAB O=C(O)c1csc(Nc2ccc(OC(F)(F)F)cc2)n1 26423392 VVBUCYMUOHPRLV-UHFFFAOYSA-N 304.249 3.484 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1 29074725 AXQYPDYTOZNVHR-INIZCTEOSA-N 320.396 3.269 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CC=CCC1 29897839 MTRQLZIKACHGSQ-CVEARBPZSA-N 302.418 3.279 0 40 DGAB COc1ccc(NC(=O)C(C)C)cc1OCc1ccncc1 31412191 GJNFGOFHUPDFRK-UHFFFAOYSA-N 300.358 3.264 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H](C)n2cc(Br)cn2)c1 32611612 XLDJZZKDUWXSDR-LLVKDONJSA-N 322.206 3.462 0 40 DGAB C[C@@H]1CCCCN1C(=O)NC1CCN(Cc2ccccc2)CC1 32779373 RDTJYYSKQKYZCL-MRXNPFEDSA-N 315.461 3.235 0 40 DGAB O=C(c1ccc(Cn2ccnc2)cc1)N1CCc2ccccc2C1 32913604 XPENHWHMIDRZBO-UHFFFAOYSA-N 317.392 3.130 0 40 DGAB CC(=O)Nc1ccc2c(c1)nc(CN1CCCC1)n2C(C)C 35476078 VYUNQUQOXHXNMO-UHFFFAOYSA-N 300.406 3.171 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H]1C(=O)N(c3cc(C)cc(C)n3)C(=O)[C@@H]21 35827645 GMXCSMUFVUALIH-RMHZUWNSSA-N 310.397 3.180 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2cccc(OC)c2)C1=O 36635549 RFPXUINNURTMJZ-INIZCTEOSA-N 324.380 3.002 0 40 DGAB Cc1cc(NC(=O)COc2c(Cl)cccc2Cl)n(C)n1 40477569 MUFXTAXPWBICPW-UHFFFAOYSA-N 314.172 3.053 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1F)Nc1ccccc1Cl 40525413 ZUUPDROYZRRROB-CQSZACIVSA-N 308.740 3.334 0 40 DGAB CC(C)(Cc1ccccc1)NS(=O)(=O)c1ccc(F)cc1 40621140 ZPDZLCTYVKMYLJ-UHFFFAOYSA-N 307.390 3.125 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1ccccc1Cc1ccccc1 42534155 UJEPFMXRQBAKJT-MRXNPFEDSA-N 319.408 3.292 0 40 DGAB CC(C)(C)c1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 42646560 KXBGMOCQPXRJQH-UHFFFAOYSA-N 302.418 3.372 0 40 DGAB O[C@@H](c1ccccc1)C1CCN(c2cncc(Cl)n2)CC1 43535332 UJIMVWPSNBKLSN-INIZCTEOSA-N 303.793 3.080 0 40 DGAB O=C(NCc1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1 45030444 MFHVDBLSPHFFHS-QGZVFWFLSA-N 314.360 3.109 0 40 DGAB O=C1C[C@H](C(=O)N(C2CCCCC2)C2CC2)c2ccccc2N1 45490300 OWOMZJNRZSUURX-INIZCTEOSA-N 312.413 3.436 0 40 DGAB COc1ccc(OC(F)F)c(NC(=O)NCCC(C)C)c1 47922430 GDXZUTWEJMCQBB-UHFFFAOYSA-N 302.321 3.464 0 40 DGAB CC(C)COc1ccccc1NC(=O)N[C@@H](C)Cn1ccnc1 48118226 UCHYJRICTWJOHT-AWEZNQCLSA-N 316.405 3.128 0 40 DGAB COc1ncccc1C(=O)Nc1nc2c(s1)CCCCC2 48231679 DOBBEUDHTKIDAR-UHFFFAOYSA-N 303.387 3.068 0 40 DGAB O=C(Cc1ccsc1)Nc1nnc(-c2ccccc2)s1 48332737 YPLNFWVSPVDQBJ-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OC(C)C 49549328 RRXSQHAVDBDBNA-LBPRGKRZSA-N 315.373 3.340 0 40 DGAB Cn1ccc(CN[C@H](c2ccc(Cl)cc2)C2CC2)cc1=O 52515289 QNSOSDTUPMPGJT-KRWDZBQOSA-N 302.805 3.280 0 40 DGAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NC2CCN(C)CC2)c1 54148119 QPCFQJGWIQATFQ-HNNXBMFYSA-N 318.461 3.096 0 40 DGAB CCc1sc(C(=O)N2CCC(c3nc(C)no3)CC2)cc1C 54663705 RTQUTOSKAKISQG-UHFFFAOYSA-N 319.430 3.330 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1 55675120 YFROBTAUIWCYNF-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB COc1ccc(Br)cc1C(=O)Nc1cccc(N)c1 57340191 YYQCBJYIRDSERG-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1nnc([C@H](C)N2CCC(Nc3ccccc3C)CC2)o1 58332874 RNIJFZHZMRDWHZ-ZDUSSCGKSA-N 300.406 3.324 0 40 DGAB N=c1oc2ccccc2cc1C(=O)Nc1ccc(F)c(F)c1 67341925 GZMIOURDJHLNRF-UHFFFAOYSA-N 300.264 3.443 0 40 DGAB Cc1cccc(-c2noc(Cn3c(=O)oc4ccccc43)n2)c1 69531130 RYQBXMJGIXQFEQ-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB Cc1cc(NC(=O)N2CCO[C@H](c3ccccc3Cl)C2)no1 69559968 JOORUSZBDLFKDX-ZDUSSCGKSA-N 321.764 3.242 0 40 DGAB CC(C)(C)OC(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 69702583 ZHIXCBSHVXPTET-UHFFFAOYSA-N 314.426 3.347 0 40 DGAB CCOc1ccc(-c2nc(C)c(C(=O)N3CCC3)s2)cc1 71885455 NWTIZDVWNMKPPD-UHFFFAOYSA-N 302.399 3.363 0 40 DGAB Cc1ccc2c(=O)c(I)c(C)[nH]c2c1C 72207172 FNYOFUMQBXKRPW-UHFFFAOYSA-N 313.138 3.058 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)[C@H](C)n2c(C)ccc2C)C1 72234603 WPRMJNFPAYTLQK-RDJZCZTQSA-N 314.433 3.035 0 40 DGAB O=C(NCc1ccco1)c1cn[nH]c1-c1cccc(Cl)c1 72328864 PZHCLWQPPYOQHQ-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)N(C)c1ccccc1 74927837 GDJHHWYMGCGSMT-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCC[C@@H](C(=O)NC3CC3)C2)s1 75417568 LWWQYOMRHRYXAD-DGCLKSJQSA-N 321.446 3.015 0 40 DGAB Cn1c(Cl)cnc1COC(=O)[C@@H]1SCCc2ccccc21 76090072 HBQSKGCOADGMGW-CQSZACIVSA-N 322.817 3.147 0 40 DGAB CC(C)COC[C@@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C 76954925 BTRKJYKMKFPRCU-ZBFHGGJFSA-N 307.438 3.139 0 40 DGAB Nc1nc(-c2ccc(Cl)cc2)ccc1C(=O)N1CCCC1 77010446 ZDHGDCJVGAGESH-UHFFFAOYSA-N 301.777 3.220 0 40 DGAB CCC(CC)c1cc(CNc2c(C)c(C)nc3ncnn23)on1 78400445 ZFTMKQIKQYTARF-UHFFFAOYSA-N 314.393 3.245 0 40 DGAB O=C1NCCCC[C@H]1SCc1cc(F)cc2cccnc12 78555721 GLDCQFZANPYUMJ-CQSZACIVSA-N 304.390 3.276 0 40 DGAB CC(C)COC1CCN(C(=O)[C@H]2C[C@@H]2c2ccccc2)CC1 84544362 YFIOWUNLCZBWLM-MSOLQXFVSA-N 301.430 3.454 0 40 DGAB CCCOc1ccc(CN2CCC[C@@H](NC(=O)OCC)C2)cc1 89960308 JAPJEMAVSQDHPV-MRXNPFEDSA-N 320.433 3.186 0 40 DGAB c1csc(CCN2CCC[C@H](c3nncn3C3CC3)C2)c1 91631261 KNIHWXYNFNAKDD-ZDUSSCGKSA-N 302.447 3.097 0 40 DGAB COc1ccc([C@H](C)NC[C@](C)(O)c2cccs2)c(OC)c1 95422993 FUJLKBRMWQBHGC-SJCJKPOMSA-N 321.442 3.324 0 40 DGAB Cc1oc(CN(C)C(=O)/C=C/c2ccsc2)cc1C(=O)O 95425069 KZWYJZLVFNIYIO-ONEGZZNKSA-N 305.355 3.020 0 40 DGAB Brc1cnc(N[C@H]2CCOC3(CCCC3)C2)nc1 95425696 KSDUEPSEOCJBCV-NSHDSACASA-N 312.211 3.143 0 40 DGAB Cc1cc(Cl)c(NC(=O)N[C@]2(C)CCOC2)c2cccnc12 95440655 NNVLXRIRRURXSL-MRXNPFEDSA-N 319.792 3.497 0 40 DGAB O=C(Nc1ccnn1-c1ccncc1)c1ccc(Cl)c(F)c1 95451801 MQZXLKYOBQIIOJ-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CC(C)c1ccc([C@@H]2CCCCN2CC2(CO)COC2)cc1 95978928 MFQSLXNAOWYNFV-SFHVURJKSA-N 303.446 3.346 0 40 DGAB CCc1nc(NCc2nnc(C(C)C)n2C)c2ccsc2n1 96009782 MXYIOJNHFJYQIF-UHFFFAOYSA-N 316.434 3.118 0 40 DGAB CC(C)COC[C@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 96044843 QFWVVAAABNRYJA-OAHLLOKOSA-N 319.474 3.254 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3C(=O)c2ccsc2)o1 96184677 CZODNNUKNYKJIB-JKSUJKDBSA-N 316.426 3.139 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc3oc(N(C)C)nc3c2)s1 96476906 VTCGTPNXUBKLDS-UHFFFAOYSA-N 316.386 3.219 0 40 DGAB C[C@@H](CNC(=O)CCc1ccc(C(=O)O)cc1)c1cccs1 97036777 UTGDDKSNIBSGPT-LBPRGKRZSA-N 317.410 3.299 0 40 DGAB C[C@H](c1ccccn1)N1CCC[C@@H](CNC(=O)OC(C)(C)C)C1 100191358 RJJBZKVBRLYUMB-CABCVRRESA-N 319.449 3.379 0 40 DGAB Clc1ccccc1C1=C[C@H](c2cccs2)n2nnnc2N1 101254272 JQZUOLVSNQWOHZ-GFCCVEGCSA-N 315.789 3.444 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@@H]2C32CC2)c1 104600909 BMXJAVIZWRDJMQ-SDADXPQNSA-N 311.381 3.155 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCN([C@H](C)c2ccccc2)C1 106135153 UKMKVNKIMRWVEO-HIFRSBDPSA-N 315.442 3.017 0 40 DGAB C[C@H](NC[C@@H](C)[S@](C)=O)c1ccc(Br)cc1F 119145112 YBCJOEIPGUGILT-KSRUKNBBSA-N 322.243 3.006 0 40 DGAB CC[C@@H](Cc1ccccc1)N(CC)C(=O)c1c[nH]c(C)cc1=O 162147928 HQMLIWDHMSYGBK-INIZCTEOSA-N 312.413 3.167 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNc1ccc(CNS(C)(=O)=O)cc1 182631655 VNNIUCCBCWDRJV-WMLDXEAASA-N 322.474 3.140 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@H](C)CC 225244946 QZAUTVJBWVDLCU-KGLIPLIRSA-N 322.424 3.258 0 40 DGAB CCOC(=O)c1cc(NC(=O)c2cccnc2)ccc1Cl 225429728 JKADRDKCVDLIRW-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB CCNC(=O)c1cc(N)ccc1N[C@@H](C)CCc1ccccc1 225495779 UVFMQOHWWLABDY-AWEZNQCLSA-N 311.429 3.452 0 40 DGAB Cc1cccc(CC(=O)N[C@@H](c2cccnc2)C2CCOCC2)c1 225617258 LEMHJZGHAUGDMC-HXUWFJFHSA-N 324.424 3.217 0 40 DGAB CCCCCNC(=O)C(=O)NC1CCC(C(C)(C)CC)CC1 408707069 JEHQWGVXKDBFNK-UHFFFAOYSA-N 310.482 3.404 0 40 DGAB CCc1ncnc(CC)c1C(=O)N[C@H](C)CCCC(F)(F)F 507171865 YCLWSWCOGIEQOF-SNVBAGLBSA-N 317.355 3.452 0 40 DGAB C[C@H](CO)C1CCN(C(=O)C[C@H](C)Cc2cccc(F)c2)CC1 585090591 SGAVUNSTGOJMBE-HUUCEWRRSA-N 321.436 3.261 0 40 DGAB CC(C)(O)CCNCc1ccc(NC(=O)OC(C)(C)C)cc1 585118433 OUDIAGUSAINATM-UHFFFAOYSA-N 308.422 3.284 0 40 DGAB c1sc(C2CCCC2)nc1CN1CCC2(CC1)OCCO2 746386391 PVDDKPHZBMKSKQ-UHFFFAOYSA-N 308.447 3.140 0 40 DGAB COC1CC2(CCN(C(=O)CCc3ccccc3F)CC2)C1 1565552432 STMFLVQLOIAYBF-UHFFFAOYSA-N 305.393 3.176 0 40 DGAB Cc1ncnc(C(=O)NCc2cccc(C(F)(F)F)c2)c1C 1888859536 LYGCZQOARZEMFW-UHFFFAOYSA-N 309.291 3.042 0 40 DGAB Cc1cc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)nc(C2CC2)n1 1888897471 DLJKHMOYXSNEGI-UHFFFAOYSA-N 319.368 3.305 0 40 DGAB c1ccc(OCCCN2CC[C@@H]3CN(c4ccccn4)C[C@H]32)cc1 1889130397 TWYXCSCIQWYJGK-IEBWSBKVSA-N 323.440 3.061 0 40 DGAB O=C1c2ccccc2C(=O)N1CCSc1nc2ccccc2o1 480250 FGBGDFWRMPDSIB-UHFFFAOYSA-N 324.361 3.216 0 40 DGAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2cccs2)N3)C1 1249961 GIWGUGKYSSLEOP-GFCCVEGCSA-N 305.428 3.226 0 40 DGAB CCSc1nnc2c3cc(Br)ccc3n(C)c2n1 1366207 MFQQZBMDOZAKKN-UHFFFAOYSA-N 323.219 3.391 0 40 DGAB O=C(CSc1nccc(C(F)(F)F)n1)Nc1ccccc1 2732702 CTNBCJOPQFIHIT-UHFFFAOYSA-N 313.304 3.226 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3402412 MOPZMUMJWURMTF-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CCSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2)s1 3524201 LLWTWHFYUOIKAV-JTQLQIEISA-N 323.443 3.365 0 40 DGAB c1ccc(-n2nnnc2CSc2nc3ccccc3o2)cc1 4454816 VOJABIJEAWOZQO-UHFFFAOYSA-N 309.354 3.096 0 40 DGAB Cc1ccc(C)c(CSc2nc(=O)n3ccc(C)cc3n2)c1 4503916 MRVCJOOOZBJQKB-UHFFFAOYSA-N 311.410 3.307 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NC[C@H]1C[C@H]2CC[C@@H]1C2 4687130 GHTFUCHQHVWZKA-BFHYXJOUSA-N 310.397 3.211 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c4c(c2)CC(=O)N4CCC3)cc1 4850552 SAHMUKDGTANAPD-UHFFFAOYSA-N 306.365 3.083 0 40 DGAB COc1cccc(OCC(=O)Nc2nc3ccccc3s2)c1 5514800 AXMMIPHQTANYDB-UHFFFAOYSA-N 314.366 3.322 0 40 DGAB COC(=O)c1ccccc1[C@@H]1CN=N[C@]12Cc1ccccc1C2=O 5538022 IKXTZOYHFSRVEB-QFBILLFUSA-N 320.348 3.200 0 40 DGAB O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccccc1 5729549 OEXRKGBPZABNQE-UHFFFAOYSA-N 317.288 3.386 0 40 DGAB CCCn1c(SCC(=O)NC2CC2)nc2cc(Cl)ccc21 5919630 DZNGOUZWYKQZDE-UHFFFAOYSA-N 323.849 3.470 0 40 DGAB CCCCCNC(=O)C(=O)Nc1cc(Cl)cc(Cl)c1 6596751 STDYBOYTIYGPAA-UHFFFAOYSA-N 303.189 3.238 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(Br)o2)C1=O 6657325 KNSLCFBODZTCQQ-SOFGYWHQSA-N 316.176 3.488 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)s1 7192793 JGTULEFFCMSNBB-UWVGGRQHSA-N 319.455 3.305 0 40 DGAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccccc1Cl 7597587 WRSUDNQZIPNULW-MEDUHNTESA-N 317.772 3.357 0 40 DGAB COc1cccc(NC(=O)CN2CCc3sccc3[C@H]2C)c1 7878265 DPMYVPMXZGWADS-GFCCVEGCSA-N 316.426 3.315 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2cc(C)ccc2OC)c1 9690996 SPKLSPBRFVODTH-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=C(Nc1ccc2ncsc2c1)c1ccc2c(c1)OCCO2 10217264 AMPMYRQVHRUMFS-UHFFFAOYSA-N 312.350 3.320 0 40 DGAB CC(C)Cc1nnc2sc(-c3ccc(N(C)C)cc3)nn12 11278652 AIMAAXFBZNSVOJ-UHFFFAOYSA-N 301.419 3.117 0 40 DGAB Cc1ccc([C@H]2C[C@@H](c3cccs3)n3nc(N)nc3N2)cc1 12469132 HUXVOPOYZBZYKB-OLZOCXBDSA-N 311.414 3.377 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1)c1cccc(F)c1 12519887 RILZRFWBUHLDJB-SFHVURJKSA-N 323.371 3.008 0 40 DGAB CC(=O)c1ccc(OC(=O)c2cc(Br)cn2C)cc1 12685741 XXWKAQVZEBZJCF-UHFFFAOYSA-N 322.158 3.209 0 40 DGAB Cc1ccccc1CN1CCN(c2ncnc3ccccc23)CC1 12745275 VEKUKOSLWNATKD-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB Cc1nn(C)c2sc(C(=O)NCc3ccc(F)cc3)cc12 12755450 CXDGZCUGKUWYDS-UHFFFAOYSA-N 303.362 3.012 0 40 DGAB O=C(N[C@@H]1CC[C@H]2CCCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 12790665 YPXPEICKLFUDGD-DJIMGWMZSA-N 324.428 3.356 0 40 DGAB CCOC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@H]2C)cc1 12873869 JLBJUEQLIMYYMY-OKILXGFUSA-N 319.401 3.032 0 40 DGAB CCc1ccc(/C=C/C(=O)N2CC(=O)Nc3ccccc32)cc1 14188225 IJRIDUUEEBIVEO-VAWYXSNFSA-N 306.365 3.248 0 40 DGAB CCOc1cc(/C=C2/SC(=O)NC2=O)ccc1OC(C)C 15008981 DNUKQXVRINSOLR-MDWZMJQESA-N 307.371 3.196 0 40 DGAB CO[C@]1(C)O[C@]2(c3ccccc3)C(=O)c3ccccc3[C@@]2(C)O1 17176130 GGVQPBKXWZTTJW-CEXWTWQISA-N 310.349 3.361 0 40 DGAB CCC[C@H](C)NC(=O)COC(=O)c1csc2c1CC[C@H](C)C2 20865050 HKDJNFSQWPMTDU-RYUDHWBXSA-N 323.458 3.335 0 40 DGAB Cc1nc(-c2c[nH]c(C(=O)N(C)Cc3ccco3)c2)cs1 23498667 RWICAZHEICAVOF-UHFFFAOYSA-N 301.371 3.312 0 40 DGAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1 25643458 SUNIFXYNOHLTOD-ZDUSSCGKSA-N 319.788 3.303 0 40 DGAB Cc1cc(NC(=O)c2ccco2)sc1C(=O)NCC1CCC1 26142381 BONVGBSBWHEIGH-UHFFFAOYSA-N 318.398 3.432 0 40 DGAB NC(=O)c1ccc(CN2CCCc3cc(F)c(F)cc32)cc1 26344516 YHCKVFYSMDJIAD-UHFFFAOYSA-N 302.324 3.017 0 40 DGAB CC(C)c1nnc(NC(=O)[C@H](C)OCc2ccccc2)s1 30601075 RWIXANQBVYCWOR-NSHDSACASA-N 305.403 3.205 0 40 DGAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cc(F)cc(F)c1 32760802 DBXZQDNVHDJJFV-CQSZACIVSA-N 311.715 3.082 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)OC(=O)CC2CCCC2)c1 32797432 JXYXJQKXUUCFCI-GFCCVEGCSA-N 305.374 3.146 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)CN1CCc2ccccc2C1 34858978 PTERKYMSIYGEGY-KRWDZBQOSA-N 322.452 3.182 0 40 DGAB O=C(NCc1ccco1)c1ccc(Cn2cnc3ccccc32)o1 35597038 ZUWAVJCWOAVZMM-UHFFFAOYSA-N 321.336 3.201 0 40 DGAB COc1ccc(-n2nnnc2C(C)(C)Nc2ccccc2)cc1 35622520 QBWFPOINHWOWSH-UHFFFAOYSA-N 309.373 3.018 0 40 DGAB Nc1ccc(OCc2cccc(Br)c2)c(C(=O)O)c1 37289721 QSMOMBMETLUUGU-UHFFFAOYSA-N 322.158 3.309 0 40 DGAB CCOC(=O)CCCCCCNC(=O)Nc1ccc(OC)cc1 40146041 PKDMZAIWPLZTGF-UHFFFAOYSA-N 322.405 3.330 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)CCc2ccccc2Cl)C1 40160910 GYNZAFIFTANTDS-CQSZACIVSA-N 323.820 3.074 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 43583625 GNPQIOWSEQNFKF-JTQLQIEISA-N 313.756 3.196 0 40 DGAB Cc1ccccc1CN1C[C@@H](c2noc(-c3ccco3)n2)CC1=O 44214030 QPKCXMZRNGVLMM-AWEZNQCLSA-N 323.352 3.154 0 40 DGAB COc1cccc(OCCNC(=S)Nc2ccccc2)c1 45711307 OHGVNKGRCJCEOP-UHFFFAOYSA-N 302.399 3.061 0 40 DGAB CC(C)n1nccc1NC(=O)CN[C@@H](C)c1ccccc1Cl 48251132 JWXZRJVNLSXVFY-LBPRGKRZSA-N 320.824 3.407 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCC1(c2ccc(F)cc2)CCOCC1 55453854 AGNZOECVUJQYIR-OAHLLOKOSA-N 317.404 3.346 0 40 DGAB COCC[C@@H](C)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 58174063 JMNKLVDDXOGPRS-MRVPVSSYSA-N 306.189 3.157 0 40 DGAB COc1cccnc1NC(=O)c1csc(-c2ccco2)n1 58191490 FNCILKWTLOJTPT-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CC(C)N1C[C@@H](Nc2ncc(C(F)(F)F)cc2Cl)CC1=O 58231517 PDDHEPJFMSOWCE-VIFPVBQESA-N 321.730 3.175 0 40 DGAB CC[C@H](Nc1ccccc1)C(=O)N1CCN(c2ccccc2)CC1 58377889 NVYZHNYQKSKWMA-IBGZPJMESA-N 323.440 3.226 0 40 DGAB CCOC(=O)c1sc(NC(=O)Cc2c(C)noc2C)cc1C 60749321 HDSSRYNUEGPYQQ-UHFFFAOYSA-N 322.386 3.019 0 40 DGAB CCn1cc2ccc(NC(=O)Cc3cccc(OC)c3)cc2n1 63987420 PGMPVMJLPHKMHG-UHFFFAOYSA-N 309.369 3.246 0 40 DGAB S=C(Nc1ccc2c(c1)CCC2)N[C@H]1CCN2CCCC[C@@H]12 64892924 ZFWGTHPTTWUWRH-IRXDYDNUSA-N 315.486 3.089 0 40 DGAB Cc1nc(CC(C)C)sc1C(=O)Nc1ccc(C(N)=O)cc1 65519212 JBPDQHJQSZECAG-UHFFFAOYSA-N 317.414 3.001 0 40 DGAB O=C(CCc1ccccc1OC(F)(F)F)NCc1ccncc1 66266961 ZOQJYBRDZCEZNP-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB C[C@@H](NC(=O)Nc1ccc2oc(=O)ccc2c1)c1ccncc1 68579510 INIMSVYZXLWXGB-LLVKDONJSA-N 309.325 3.071 0 40 DGAB C[C@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)n1ccnc1 69462203 LCHWBZGJJZEJAN-HUUCEWRRSA-N 307.397 3.345 0 40 DGAB Cc1ccc(-n2nc(C)cc2NC(=O)CCc2ccncc2)cc1 69567304 OAOWBIGXLKJDHP-UHFFFAOYSA-N 320.396 3.455 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)CCc2cccs2)C1 69921684 MACVEJYDNYSPND-CQSZACIVSA-N 317.458 3.303 0 40 DGAB CC(C)(C)N1C(=O)C[C@@H](C(=O)O)[C@H]1c1ccc(Cl)c(F)c1 70271587 OCIIVILFDNJYOS-NOZJJQNGSA-N 313.756 3.252 0 40 DGAB in-vitro O=C(c1csc(-c2ccc3c(c2)OCO3)n1)N1CCCCC1 71185846 SCCAEAWWJFLPJN-UHFFFAOYSA-N 316.382 3.165 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1ccc(F)c(F)c1 71283899 DIXSNQXGIMTMIA-SECBINFHSA-N 307.300 3.159 0 40 DGAB O=C(c1cc2c(F)cccc2[nH]1)N1CCO[C@H]2CCCC[C@H]21 71821215 QPQDXDHOJDSODB-CVEARBPZSA-N 302.349 3.091 0 40 DGAB O=C(CCc1cccc(F)c1)Nc1cccc(-c2nc[nH]n2)c1 71907660 VTWFBHHGPBGKJK-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB CC(C)c1cnc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)o1 72299944 NJTATHXVMGDTAC-CYBMUJFWSA-N 316.405 3.438 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)c3c[nH]c(C(C)C)n3)C2)n1 72300338 IMKNIQZMWJVIKO-LBPRGKRZSA-N 318.446 3.318 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NC2CCC(C)CC2)c1 72329205 LSHGCKWIMRSVQC-UHFFFAOYSA-N 313.401 3.394 0 40 DGAB CN(C)c1cc(CNC(=O)Nc2cccnc2)c2ccccc2n1 76068934 NGOYCQMTTOBHJX-UHFFFAOYSA-N 321.384 3.018 0 40 DGAB CS[C@H]1CCC[C@@H]1NC(=O)NC(C)(C)c1ncc(C)s1 80155069 WXKVDSXOROPWGI-QWRGUYRKSA-N 313.492 3.270 0 40 DGAB CCn1nc(C)c(C(=O)N[C@H]2CCCc3occc32)c1Cl 83836677 WHNGDFWYRUHCSX-NSHDSACASA-N 307.781 3.265 0 40 DGAB CC1(C)COC(C(C)(C)COC(=O)c2ccc(F)cc2)OC1 84673688 CQNVCRBPEJRHBH-UHFFFAOYSA-N 310.365 3.408 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccc(F)cc1 85397445 KLINUFBPJHXTMP-UHFFFAOYSA-N 302.301 3.394 0 40 DGAB Cc1csc(=O)n1Cc1nc2cc(C(F)(F)F)ccc2o1 89702620 RRKIKZIVRDVTGC-UHFFFAOYSA-N 314.288 3.427 0 40 DGAB O=C(CC(F)(F)F)N1CC[C@H](Oc2cccc(Cl)c2)C1 89763432 CMZHVGKXFKAZJB-NSHDSACASA-N 307.699 3.272 0 40 DGAB C[C@@H](c1nc(-c2cccnc2)no1)N1CCc2cc(F)ccc2C1 91898560 XMWIPWLJQNJALS-LBPRGKRZSA-N 324.359 3.390 0 40 DGAB c1cc2c(cc1-c1nc(C3CCOCC3)cs1)OCCO2 92197093 MUQBHIAEQNLOET-UHFFFAOYSA-N 303.383 3.475 0 40 DGAB O=C(O)C[C@@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 95389845 HTOSORJVRBPPIS-PSKZRQQASA-N 301.367 3.094 0 40 DGAB Cc1noc(C)c1[C@@H](C)CNC(=O)Nc1cccc(F)c1F 95434403 YETRSVMATYWLLJ-QMMMGPOBSA-N 309.316 3.495 0 40 DGAB Cn1cc(CCN2C(=O)c3ccccc3C2=O)c2ccccc21 95829601 SZKDGOLKSCCTHV-UHFFFAOYSA-N 304.349 3.017 0 40 DGAB O=C(NC[C@@H]1CCCCN1Cc1ccccn1)Nc1ccccc1 96424146 IYAUOPOQLPZONL-SFHVURJKSA-N 324.428 3.258 0 40 DGAB O=C(Oc1cccc2c1CCCC2=O)c1cn2ccccc2n1 96442754 GCZZSIBZLSEFCM-UHFFFAOYSA-N 306.321 3.073 0 40 DGAB COc1cc(/C=C2/N=C(C(C)(C)C)OC2=O)cc(OC)c1OC 96939654 VMFDIEOFEAGMLP-YRNVUSSQSA-N 319.357 3.055 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC(=O)C[C@H]1C 97022866 WQJSUFFXIURRMP-CXAGYDPISA-N 303.402 3.049 0 40 DGAB O=S1(=O)CCC[C@H]1CN[C@@H](CC1CCC1)c1ccccc1 97034749 NRIZTVJGMVHWKG-IRXDYDNUSA-N 307.459 3.085 0 40 DGAB COc1ccc(CNc2ccc(S(C)(=O)=O)cc2C)cc1F 97080255 OPNCSGLJDMPTTC-UHFFFAOYSA-N 323.389 3.158 0 40 DGAB CC1(C)C[C@@H](NCc2nc(-c3ccsc3)no2)C(C)(C)O1 97100306 AWZSADLEIRFZKQ-LLVKDONJSA-N 307.419 3.234 0 40 DGAB Cc1ccnc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)c1 97200721 ACYJCARPWCNBNF-HNNXBMFYSA-N 322.412 3.465 0 40 DGAB CC(C)n1[nH]cc/c1=N\C(=O)Nc1cccc2ccc(O)cc12 102153524 NEIGWZRMGCXRSM-CAPFRKAQSA-N 310.357 3.389 0 40 DGAB C[C@@H]1C[C@H](NC(=O)C2[C@H]3CCC[C@H]23)CCN1Cc1ccccc1 102689171 XTTHEKRQQNIZNO-BGTYHANMSA-N 312.457 3.202 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@H](CN(C)C)C1)c1ccccc1 129339657 UBCBQQPXDJUDFE-AEFFLSMTSA-N 317.477 3.367 0 40 DGAB Nc1ccc2nc(CCCc3nc4ccc(N)cc4o3)oc2c1 216741268 RWPZFVKMNNWMHP-UHFFFAOYSA-N 308.341 3.309 0 40 DGAB COc1cccc(-c2cnc(CCC(=O)NCC(C)C)o2)c1 224842545 MCVILPULMNLGAT-UHFFFAOYSA-N 302.374 3.055 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCCC[C@H]1c1ccn[nH]1 257245027 INVFEHSJNSYFSQ-KRWDZBQOSA-N 306.369 3.325 0 40 DGAB CCCn1ncc(I)c1COCC(C)C 408716621 OYBTZAMQGCDNKL-UHFFFAOYSA-N 322.190 3.070 0 40 DGAB Cc1nnccc1NC(=O)N1CCc2cccc(F)c2[C@@H]1C 547868301 GILHRTKRLWWREO-NSHDSACASA-N 300.337 3.075 0 40 DGAB CC(C)CN1CCC(N[C@H](c2nc[nH]n2)C2CCCCC2)CC1 563305989 XNKANNNYCJKIOU-KRWDZBQOSA-N 319.497 3.136 0 40 DGAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(C2CCCC2)C3)n1 585105056 OKWNMDJFWWGDBS-KRWDZBQOSA-N 318.486 3.409 0 40 DGAB C[C@@](O)(CNC(=O)c1cc2ccccc2o1)Cc1ccsc1 618256396 IPYRBGDFADQXJN-KRWDZBQOSA-N 315.394 3.218 0 40 DGAB COc1cc(C(=O)Nc2cc(C(F)(F)F)n(C)n2)ccc1C 1349305413 BLHWMBAQHCSKAB-UHFFFAOYSA-N 313.279 3.008 0 40 DGAB Oc1ccc(Nc2nc3nonc3nc2Nc2ccccc2)cc1 51056 UEKHYMCHJFSBQY-UHFFFAOYSA-N 320.312 3.206 0 40 DGAB COc1ccc(OC)c(S(=O)(=O)Nc2cc(C)cc(C)c2)c1 81693 WDKOPEMHCDMRRB-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB O=CN[C@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1Cl 97803 GDNMUHJGQWYFBW-AWEZNQCLSA-N 323.179 3.419 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc2ccccc12 99504 BYKWVLFCJPUXMN-UHFFFAOYSA-N 318.332 3.386 0 40 DGAB COc1ccc([C@H]2N(c3ccc(OC)cc3)C(=O)C2(F)F)cc1 350836 WUORUMVRJXKPAN-OAHLLOKOSA-N 319.307 3.427 0 40 DGAB COc1ccc(C(=O)C2CCN(C(=O)c3ccco3)CC2)cc1 1336906 NFYUQVQNSZEYOD-UHFFFAOYSA-N 313.353 3.023 0 40 DGAB CCOCCCNC(=O)CSCc1ccc(Cl)cc1 2093534 SJAIVCPZCOQORX-UHFFFAOYSA-N 301.839 3.116 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1cccc(C)c1)CC2 2430185 ODDBKYHZCLOIET-UHFFFAOYSA-N 311.381 3.211 0 40 DGAB COc1cccc(NC(=O)c2nc(SC)ncc2Cl)c1 3216941 RPDKQBBXBJDCCA-UHFFFAOYSA-N 309.778 3.113 0 40 DGAB C[C@@H]1C[C@H]1C(=O)OCC(=O)NC(c1ccccc1)c1ccccc1 3234945 ONHSFRKWIVDFCI-RHSMWYFYSA-N 323.392 3.091 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)OCc1ccc(F)cc1 3281051 FYVOSIIFYNPSTQ-XBXARRHUSA-N 300.285 3.311 0 40 DGAB CCN(CC)C[C@@H](C)OC(=O)c1cccc(Br)c1 3314822 ACFLOIFUNORNFY-LLVKDONJSA-N 314.223 3.336 0 40 DGAB COc1cc(C(C)=O)ccc1OCC(=O)NC1CCCCCC1 3359676 VGZIUINNRXTLKP-UHFFFAOYSA-N 319.401 3.116 0 40 DGAB CC[C@@H]1CN2CC[C@]34c5ccccc5N(C(C)=O)[C@H]3[C@@H](C)[C@H]1C[C@H]24 4082232 XGMPQFYSSHFZTA-VZWRSXOKSA-N 324.468 3.430 0 40 DGAB biogenic Cc1cccc2c1C(=NNc1ccc([N+](=O)[O-])cc1[N+](=O)[O-])C2 4273566 CLPLTEGHNLFZRB-UHFFFAOYSA-N 312.285 3.184 0 40 DGAB biogenic Cc1cccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)c1 4700487 JAXNXOCHHZCPRW-KRWDZBQOSA-N 314.473 3.466 0 40 DGAB Cc1cc(NC(=O)COc2cc(Cl)cc(Cl)c2)no1 5038259 DFGYBAWLSACDKP-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(F)cc1 5110514 NRWBRAHAMDCOGI-SNVBAGLBSA-N 307.346 3.380 0 40 DGAB COc1cccc(/C=C2\CCn3c2nc(=O)c2ccccc23)c1 5451315 VTUQUHOXTAKEDL-SDNWHVSQSA-N 304.349 3.349 0 40 DGAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1ccc(C)cc1C)C2=O 5461858 XQGXFLCXZORJBS-UHFFFAOYSA-N 323.348 3.281 0 40 DGAB CC(=O)C[C@@H](c1ccccc1)c1c(O)c2ncccc2oc1=O 5817080 JOBGAZBDRXNGTO-ZDUSSCGKSA-N 309.321 3.005 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1cccc2cc(O)ccc12 6363737 NZCHQGJBKPRPPG-UHFFFAOYSA-N 302.399 3.405 0 40 DGAB c1ccn2c(SCc3nc(-c4ccsc4)no3)nnc2c1 7297349 DPGZILSRYKDSKH-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB CCc1c(C(=O)Nc2cccc(OC)c2)nnn1-c1ccccc1 8715268 TUHPACJMQHUINT-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB Brc1ccc(C2=NN=C(NC3CC3)SC2)cc1 8923400 NMGSRIWTDJKLFM-UHFFFAOYSA-N 310.220 3.008 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)c(F)c1)N1CCc2sccc2C1 10767656 KPBJKYXNDKKQAI-SNVBAGLBSA-N 322.380 3.412 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)NC1CCCCCCC1 12776260 GMEHRQRZJOXBOI-UHFFFAOYSA-N 316.445 3.344 0 40 DGAB CCc1cccc(CC)c1NC(=O)CCNC(=O)C(C)(C)C 12815005 UMTBHWRHDNLJPZ-UHFFFAOYSA-N 304.434 3.302 0 40 DGAB CCCN1C(=O)N[C@H](c2ccc(Cl)cc2)C(C(=O)OC)=C1C 14230942 ZFPBHJZSTGSCAQ-CQSZACIVSA-N 322.792 3.263 0 40 DGAB COc1ccc(OCCNC(=O)c2ccc(Cl)cc2)cc1 15615277 BMDNQAMNESNJAZ-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB O=c1[nH]c2ccccc2c(-c2ccccc2)c1Sc1nnc[nH]1 18210674 VWOXZGWNLWAXAA-UHFFFAOYSA-N 320.377 3.464 0 40 DGAB CCC12CN3CC(CC)(CN(C1)C3c1ccccc1Cl)C2O 19320344 YSOLGXYBNBWRNQ-UHFFFAOYSA-N 320.864 3.137 0 40 DGAB Cc1ncc(C(=O)NCc2ccc(Cl)cc2Cl)c(C)n1 19936920 LYNHQBGERWTXJY-UHFFFAOYSA-N 310.184 3.330 0 40 DGAB CC[C@@H](NC(=O)c1ccnn1C)C12CC3CC(CC(C3)C1)C2 20502854 HBUFJZGUGSDTFC-JKJYUFNASA-N 301.434 3.145 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2ccc(C(C)=O)cc2)c1 20716940 GDJAICVSUVATGA-UHFFFAOYSA-N 322.364 3.491 0 40 DGAB Cc1ccc(NC(=O)c2ccc(CNC(N)=O)cc2)c(Cl)c1 20899984 APKBPOWNGLHZJC-UHFFFAOYSA-N 317.776 3.069 0 40 DGAB CCCn1c(=O)n(Cc2cc(F)ccc2OC)c2ccccc21 22144826 LBBCRYDHRRRZPR-UHFFFAOYSA-N 314.360 3.409 0 40 DGAB CC(=O)c1ccc(NC(=O)CNc2ccc(F)c(F)c2F)cc1 22907244 DFWSBLBZCGUIEG-UHFFFAOYSA-N 322.286 3.357 0 40 DGAB Nc1nnc2ccc(Oc3ccc(-c4ccccc4)cc3)nn12 24985443 XQMAFSCNHSMSMI-UHFFFAOYSA-N 303.325 3.166 0 40 DGAB O=C(NCc1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1 25532417 VXDXSZRFTOTOSD-LJQANCHMSA-N 324.424 3.342 0 40 DGAB COc1ccccc1NC(=O)N1CCO[C@H](c2ccccc2)C1 25533524 HUAXEOANRKPEKP-KRWDZBQOSA-N 312.369 3.301 0 40 DGAB CNc1snc(C)c1C(=O)NCc1nc2ccccc2s1 27312681 FQHZQYUZEBOCNT-UHFFFAOYSA-N 318.427 3.033 0 40 DGAB Cc1ccc(NC(=O)Cn2nc(C(F)(F)F)cc2C2CC2)nc1 27936714 LRUTXHGAIMLTEZ-UHFFFAOYSA-N 324.306 3.121 0 40 DGAB CCn1ncc(Br)c1C(=O)Nc1ccc(F)cc1 28223724 OPBZZOHIIYMMHS-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB Nc1nc(Cl)cc(NCc2cccnc2OC2CCCC2)n1 29626461 LXQRXODABAIGJU-UHFFFAOYSA-N 319.796 3.041 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1 32029501 DJBZQZAHOBLBFL-ABAIWWIYSA-N 323.820 3.444 0 40 DGAB CN(CCCOc1ccc(F)cc1)C(=O)c1cccnc1S 32064661 ZWFQTKSGVJTGTN-UHFFFAOYSA-N 320.389 3.051 0 40 DGAB CNC(=O)Nc1ccc(NC(=O)c2ccc(C)c(OC)c2)cc1 32903307 COBRUSYBVQYVPU-UHFFFAOYSA-N 313.357 3.007 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1F 35805586 YFFKWMLFZOAUAJ-OGXIQJDLSA-N 305.736 3.181 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O 36635752 OZTMETXJJXSDPI-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB CCc1nnsc1C(=O)N[C@H](C)Cc1cccc(Cl)c1 40108220 DOQFKLWZSKPXGQ-SECBINFHSA-N 309.822 3.115 0 40 DGAB O=C(CCc1ccc(Cl)s1)NCc1ccc2c(c1)OCO2 40140069 QWQSHJQTNLJSJN-UHFFFAOYSA-N 323.801 3.379 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@@H](C(F)(F)F)C2)s1 40526702 BIFAFBSIBPLWHW-MRVPVSSYSA-N 322.356 3.297 0 40 DGAB COc1cccc(C(=O)[C@@H](C)OC(=O)c2cccc(F)c2)c1 41125378 FFRFGDUWEDODGX-LLVKDONJSA-N 302.301 3.263 0 40 DGAB C[C@H]1CCCN(CCCCNC(=O)NCc2ccc(F)cc2)C1 43025325 VSSKDBXUEMNLCU-HNNXBMFYSA-N 321.440 3.137 0 40 DGAB COc1cc(CNC(=O)CCCc2c[nH]c3ccccc23)ccn1 48276208 GOPXGTBDMSRUEC-UHFFFAOYSA-N 323.396 3.211 0 40 DGAB O=C(Nc1ccccn1)N1CCC([C@H](O)c2ccccc2)CC1 48346916 KZUBFDSBPXHHRR-QGZVFWFLSA-N 311.385 3.059 0 40 DGAB C[C@@H]1C[C@H](Sc2nnc(NC3CCCCC3)s2)C(=O)O1 49304907 JSOQBLOIFCWOFG-SCZZXKLOSA-N 313.448 3.079 0 40 DGAB CN(C(=O)COC(=O)c1ccccc1Cl)c1ccc(F)cc1 51356176 OJFXTEKEWPTKQQ-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB CN(C)c1ccc(C(=O)O[C@@H]2CCc3ccccc3C2=O)cc1 54362849 QTMFMUQRGWTOOD-QGZVFWFLSA-N 309.365 3.107 0 40 DGAB Cc1ccccc1CN1CCN(c2ncnc3sccc23)CC1 57522495 KEUABWDTFOKRRI-UHFFFAOYSA-N 324.453 3.322 0 40 DGAB C[C@H](c1ccc(Cl)cc1Cl)N(C)C(=O)[C@@H]1CCNC1 62114784 YIEPBEJGEPRJJV-NXEZZACHSA-N 301.217 3.122 0 40 DGAB O=C(NCc1cccc(O)c1)Nc1cccc(N2CCCC2)c1 65478370 ZYXDPKFLFNMGFP-UHFFFAOYSA-N 311.385 3.314 0 40 DGAB C[C@@H](Cn1cccn1)NCc1csc(-c2ccsc2)n1 69351204 HJXGVKDBQYHYBO-NSHDSACASA-N 304.444 3.246 0 40 DGAB CCN(C(=O)c1ccc[nH]1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69413923 CTGOYQZDOVTMIC-RDJZCZTQSA-N 311.429 3.312 0 40 DGAB CC(C)(C)c1cc(NC(=O)NCc2cn3ccsc3n2)no1 69617570 CDERFBIBFGEOAI-UHFFFAOYSA-N 319.390 3.003 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H](n4ccnc4)C3)c[nH]c2c1 69659450 KOYVELDGHPYCAC-INIZCTEOSA-N 322.412 3.079 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)o1 69739743 HRBALTHOEOSMTH-BLLLJJGKSA-N 301.390 3.097 0 40 DGAB Cc1cc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)c(C)o1 70640472 IKVKFTWPCFKIQM-UHFFFAOYSA-N 314.385 3.275 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCc1ccccc1Cl 71880544 KEPSGZVQVMIMLN-ROUUACIJSA-N 320.864 3.358 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 72235682 LKUQEIMBWPJZLA-CQSZACIVSA-N 318.446 3.051 0 40 DGAB CC(C)CN(C[C@H](O)c1ccccc1)C(=O)Nc1nccs1 72305801 ZUZWGVJSWZKILQ-AWEZNQCLSA-N 319.430 3.367 0 40 DGAB CS[C@H]1CC[C@@H](N(C)CC(=O)Nc2cccc(C(C)=O)c2)C1 72794374 SBBRGULNOQNWHQ-CVEARBPZSA-N 320.458 3.044 0 40 DGAB O=C(CSc1ncnc2nc[nH]c12)c1ccc(F)c(Cl)c1 76017905 PUIFJMXTZHPUBK-UHFFFAOYSA-N 322.752 3.120 0 40 DGAB CCC(O)(CC)CNC(=O)[C@H](C)CSc1ccc(F)cc1 79070020 GGZYPFWVSXUGLL-GFCCVEGCSA-N 313.438 3.221 0 40 DGAB Cc1nc([C@@H]2CCCN2CCCc2nc3ccccc3o2)no1 84280964 XQSXLFGYXNTERZ-AWEZNQCLSA-N 312.373 3.289 0 40 DGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N(C1CC1)[C@@H](C)C(C)C 86424547 JBQOEQMMZUBZFL-JSGCOSHPSA-N 320.481 3.186 0 40 DGAB CC(C)[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 91280641 UDWBKVRRRCNTON-IUODEOHRSA-N 315.866 3.061 0 40 DGAB COc1ccccc1[C@H](N[C@@H](C)c1cccnc1)c1nccn1C 92738116 FBOYDILGFIXYQW-KSSFIOAISA-N 322.412 3.264 0 40 DGAB COc1ccccc1C[C@@H](C)NCCc1cn2ccccc2n1 95419947 JLSXVVNIQQROEM-OAHLLOKOSA-N 309.413 3.106 0 40 DGAB COc1cccc2c1CCCCN2C(=O)c1oc(C)nc1C 95436407 JLKXZEWTASFTJG-UHFFFAOYSA-N 300.358 3.283 0 40 DGAB Cc1nn(C)cc1C(=O)N1[C@@H](C)Cc2cc(F)ccc2[C@H]1C 95455933 WFTSTAPAOCKVST-CMPLNLGQSA-N 301.365 3.016 0 40 DGAB COCC(C)(C)NC(=O)c1cccc(-c2nc(C)cs2)c1 95960739 CTKQNTLWCRUYID-UHFFFAOYSA-N 304.415 3.273 0 40 DGAB O=C(O)c1cccc(C(=O)NC2(c3nccs3)CCCC2)c1 95976716 MXKXRQALKGQFON-UHFFFAOYSA-N 316.382 3.041 0 40 DGAB C[C@@H](CNC(=O)NC[C@H](C)c1nccs1)c1cccs1 96013811 BIAKGAFZVSKYLS-QWRGUYRKSA-N 309.460 3.411 0 40 DGAB O=C(c1cccc(Cl)c1)N1CC[C@H]2[C@H]1CCN2CC1CC1 96184404 PSYLNHTXOCUOBA-JKSUJKDBSA-N 304.821 3.039 0 40 DGAB Cc1ccc(CN2CCC3(CCCN3C(=O)C(C)C)CC2)o1 96227866 YYVGHWPPWFSAKJ-UHFFFAOYSA-N 304.434 3.201 0 40 DGAB CCc1ncc(CN(C)C(=O)c2cccc(CN(C)C)c2)s1 96421709 OLEAYCHETVROIY-UHFFFAOYSA-N 317.458 3.039 0 40 DGAB CCc1cc(CNC(=O)Nc2ccc(OC(F)F)cc2)on1 96421825 HCYGBIPTHJYGJU-UHFFFAOYSA-N 311.288 3.160 0 40 DGAB Cc1nnc([C@H](C)Sc2nnc(CCc3ccccc3)o2)o1 96430419 CRSCPQWXAZYFMO-JTQLQIEISA-N 316.386 3.400 0 40 DGAB C[C@@H](NC(=O)N[C@H](CO)c1ccccc1)c1cccc(F)c1F 97048339 PWLRSECACMNMPM-IAQYHMDHSA-N 320.339 3.059 0 40 DGAB Clc1ccc(Cc2noc([C@@H]3CCn4cncc4C3)n2)cc1 97085367 ZZQGZVZGQBVEGA-GFCCVEGCSA-N 314.776 3.240 0 40 DGAB C[C@H](CN1CCC(C(=O)N(C)C)CC1)c1cccc(Cl)c1 97103869 XLOAUFWTEJAVBU-CYBMUJFWSA-N 308.853 3.244 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccc(O)cc1 100140924 KEOHZWWPDVPABT-RHSMWYFYSA-N 320.396 3.005 0 40 DGAB C1=C[C@H]2C[C@H]1C[C@H]2CNC[C@H]1CCCN(Cc2cccnc2)C1 101543236 BYNXRBRRNOAAEN-RNQOJCNYSA-N 311.473 3.095 0 40 DGAB COc1ccc(-c2c/c(=N/CC(=O)O)c3cc(C)ccc3o2)cc1 103766853 SKRFIOBMULIEEI-SILNSSARSA-N 323.348 3.402 0 40 DGAB O=S1(=O)CCC[C@@H]1CN[C@H]1CCCC[C@@H]1C1CCCCC1 108357063 MFLJIQSYFWOEAF-ZACQAIPSSA-N 313.507 3.292 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCc1ccc(F)cc1 113959842 YVLCSKUHFPBNPO-HNNXBMFYSA-N 305.324 3.439 0 40 DGAB C[C@H](CCc1ccc(O)cc1)N[C@H]1CCO[C@]2(CCSC2)C1 136504574 DARSEEMOAJENPX-UWWQBHOKSA-N 321.486 3.358 0 40 DGAB CC[C@](C)(NC(=O)[C@@H]1COc2ccccc2C1)c1nccs1 172422987 IFSTZWULZNUWCI-GUYCJALGSA-N 316.426 3.136 0 40 DGAB COCc1ccccc1NC(=O)N1CCC[C@@]1(CO)CC(C)C 189544000 DYIKHXRXIPBFEA-SFHVURJKSA-N 320.433 3.238 0 40 DGAB CC1(C)CN(C(=O)NCCCCC(F)(F)F)CC(C)(C)O1 195574914 YKTXHYIZLWXACP-UHFFFAOYSA-N 310.360 3.318 0 40 DGAB C[C@@H]1CC(=O)c2cnn(-c3ccc(Br)cc3)c2C1 199733286 OOBRBPWCSYFCKE-VIFPVBQESA-N 305.175 3.400 0 40 DGAB Cc1cc(C)c(C(=O)NC[C@@H]2COc3ccccc3O2)cc1C 225284242 ZJIDUNLIVHNWLZ-OAHLLOKOSA-N 311.381 3.182 0 40 DGAB COc1cc(Cl)nc(NC(=S)NC2CCCCCC2)n1 226011246 KVXBHODYHNFIAV-UHFFFAOYSA-N 314.842 3.148 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@@H](O)CN1CCCCCC1)C2 226171480 PIWZUYGSMGBKSL-DWRORGKVSA-N 309.494 3.455 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@@H](C)C3)o2)c(N)c1 226301247 CUIONQAQLBMYLG-STQMWFEESA-N 314.385 3.087 0 40 DGAB CCN(C(=O)COCc1ccnn1C)c1cccc2ccccc12 252491298 LLBAPAAPNXWWHJ-UHFFFAOYSA-N 323.396 3.143 0 40 DGAB CC(C)(C)C(=O)N1CCOC[C@@H](Cc2ccc3[nH]ccc3c2)C1 257272492 NCPGQZCZRMFYOR-HNNXBMFYSA-N 314.429 3.232 0 40 DGAB Cc1cccc(CNC(=O)C(=O)NCc2ccc(C(C)C)cc2)c1 340071918 CKVZXRMKQDNYHZ-UHFFFAOYSA-N 324.424 3.051 0 40 DGAB CC(C)(C)c1ccc(C(=O)N2CC(OCC(F)(F)F)C2)cc1 390830437 LDCVLEKARPSXAG-UHFFFAOYSA-N 315.335 3.387 0 40 DGAB COc1ccc(/C=C2/NC(=O)N(c3ccccc3)C2=O)cc1C 409010061 BDGWGMVSJXSQFW-RVDMUPIBSA-N 308.337 3.101 0 40 DGAB COc1ccc(/C=C2\NC(=O)N(C3CCCCC3)C2=O)cc1C 409090901 NLVDUKWGQHUMNT-PTNGSMBKSA-N 314.385 3.229 0 40 DGAB Cc1cc(F)cc2[nH]c(C(=O)N3CC[C@@H](OC(C)C)C3)cc12 566275004 OCODWUJNEWOYLT-CYBMUJFWSA-N 304.365 3.255 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)[C@@H](C)OCC(C)C)c2)[nH]1 585131441 VYSRFHDHFALSFQ-CYBMUJFWSA-N 301.390 3.385 0 40 DGAB COc1ccc(CCN(C)c2nccc(C(F)(F)F)n2)cc1 1149128856 BZLAIEUDYFGSBT-UHFFFAOYSA-N 311.307 3.183 0 40 DGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](CCc2ccccc2)N1 352623 UKEVAKNXUXYFDV-ROUUACIJSA-N 320.392 3.441 0 40 DGAB biogenic Cc1nc(SCC(=O)Nc2ccccc2F)nc2c1CCC2 582149 PPOGLBZTVIGPRE-UHFFFAOYSA-N 317.389 3.144 0 40 DGAB Cc1cccc(NC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1C 1070149 GVNFPJVIVKCVBK-MSOLQXFVSA-N 301.386 3.364 0 40 DGAB O=C(O)[C@H]1[C@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 1753221 DNEKUWFJUMEDPQ-GOEBONIOSA-N 315.756 3.314 0 40 DGAB CCCCCC(=O)Nc1cc(OC)c(OC)cc1C(=O)OC 2641134 PNBJRGHZDNFPDZ-UHFFFAOYSA-N 309.362 3.009 0 40 DGAB Cn1ccnc1SCc1cn2cc(Br)ccc2n1 3230587 AXCWVBQRHXIMPN-UHFFFAOYSA-N 323.219 3.123 0 40 DGAB Cc1cc(C(=O)OCC(=O)N(c2ccccc2)C(C)C)c(C)o1 3253877 NPCPHEXZCSFBGM-UHFFFAOYSA-N 315.369 3.495 0 40 DGAB O=C1N[C@]2(CCCc3ccccc32)C(=O)N1Cc1ccccc1F 3600550 WPNZXTYAGJUYQV-IBGZPJMESA-N 324.355 3.109 0 40 DGAB CC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(Cl)nc1 4107617 MGHGFCPNVNYFIE-GFCCVEGCSA-N 315.760 3.113 0 40 DGAB COc1cccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)c1 5439820 ZYCHBJLXFWVBKG-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB COc1ccc2c(COC(=O)c3ccccc3C)cc(=O)oc2c1 5508073 ZLKDNOTYJBSVSV-UHFFFAOYSA-N 324.332 3.467 0 40 DGAB CC1(C)CCc2c(cc(O)c3c4c(c(=O)oc23)CCCC4)O1 5825841 LRPNAPDWYVRDDM-UHFFFAOYSA-N 300.354 3.481 0 40 DGAB CCCCCOc1ccc(C(=O)NCCCn2ccnc2)cc1 6379800 XWBAJIUUMXVWBU-UHFFFAOYSA-N 315.417 3.272 0 40 DGAB COc1ccc(C2=NC[C@@H](CSc3nccn3C)S2)cc1 6508054 GZAMTETVENSXFN-ZDUSSCGKSA-N 319.455 3.083 0 40 DGAB COc1ccc2nc(SCC(=O)c3ccc(O)cc3)[nH]c2c1 7097069 MWZUBXFMONEMLK-UHFFFAOYSA-N 314.366 3.252 0 40 DGAB COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1OC 8500662 DBTPUXWJXHOQNZ-UHFFFAOYSA-N 313.309 3.202 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccc(F)cc3)cc(=O)c2c1 8843765 UHDUOWUFVPSXBY-UHFFFAOYSA-N 313.284 3.193 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(C)cc2C)cc1 9456536 ZGWAZOCKTIGMJO-UHFFFAOYSA-N 310.397 3.323 0 40 DGAB CC(=O)n1c(SCn2nnc3ccccc32)nc2ccccc21 9668766 XUJWCORFTJLMOM-UHFFFAOYSA-N 323.381 3.191 0 40 DGAB CCc1nccn1CCCNC(=O)/C=C/c1ccc(Cl)cc1 10368029 YZOLPRJMOOKUQS-RMKNXTFCSA-N 317.820 3.319 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)c3ccc(F)c(F)c3)ccc21 10825499 LJEQOLFBHVXENQ-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB Cc1ccc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCO3)cc1 12985112 NYGYGNUFRIFPRI-CSKARUKUSA-N 309.365 3.396 0 40 DGAB COc1ccccc1CNC(=S)Nc1ccc(F)cc1F 13815034 SOYDUIYWYAUGOA-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc12 13893670 JVTQLTAEGGXRGY-ZZEZOPTASA-N 308.337 3.081 0 40 DGAB C[C@@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCO1 14189566 PIESPRPQDVQPTG-LLVKDONJSA-N 315.394 3.168 0 40 DGAB O=C(Nc1ccc2c(c1)nc1n2CCCCC1)c1ccncc1 14910385 OTLCBNBPFXLNCI-UHFFFAOYSA-N 306.369 3.410 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)Cc2ccccc2)C1 19737348 NFEOVXHZRHXZHY-HNNXBMFYSA-N 303.402 3.445 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cnn(-c3ccccn3)c2C)cc1 19910950 CVKUBPAZANUUAI-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB COc1ccc(-c2ccc(CO)o2)cc1NC(=O)c1ccco1 20139699 QXABFIPMZAFTRN-UHFFFAOYSA-N 313.309 3.293 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccc(-c2ccc(F)cc2)s1 22334847 JXJJIKCPZULWLX-CYBMUJFWSA-N 305.374 3.463 0 40 DGAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccccc2C)c1 22518744 FMDNLCVKDYSDQA-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 23038736 GLOROTYWQUHBKO-INIZCTEOSA-N 313.397 3.266 0 40 DGAB O=S(=O)(NCCSC1CCCC1)c1ccccc1Cl 26978805 KLPAEMQGZVJKER-UHFFFAOYSA-N 319.879 3.294 0 40 DGAB Cc1ccc(-c2cc(CSCC(=O)NC(C)C)on2)cc1 30527457 YSKPWXMQAFQWNH-UHFFFAOYSA-N 304.415 3.408 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1OC 30753416 ICRCXMMZJAPVHK-NSHDSACASA-N 309.431 3.243 0 40 DGAB CCc1cc2c(=O)n(CC(=O)C3CCCCC3)cnc2s1 31757584 CHHPDHHINTTXMO-UHFFFAOYSA-N 304.415 3.170 0 40 DGAB CCOc1ccccc1C(=O)Nc1cccc(-c2nncn2C)c1 31806705 IAHDVTPWYSTGNM-UHFFFAOYSA-N 322.368 3.133 0 40 DGAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)s1 32428043 ODLCSMQXDDKBJG-NSHDSACASA-N 320.483 3.295 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@@H](O)c2ccc(Cl)cc2)o1 32803434 KRQBDABKGFXMIU-XVJNWHFHSA-N 305.761 3.104 0 40 DGAB Cc1nc2ccccc2nc1CS[C@H](C)C(=O)NC(C)(C)C 32814570 ITFDWQGJRJZBLQ-GFCCVEGCSA-N 317.458 3.475 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1ccn(-c2ccccc2)n1 33150001 OTCOMOVIJUOLNB-UHFFFAOYSA-N 305.337 3.327 0 40 DGAB CCN(CC)C(=O)CSc1nc(C2CC2)nc2ccccc12 35313285 BCOMBVRJQKDTPZ-UHFFFAOYSA-N 315.442 3.468 0 40 DGAB CCCCNC(=O)N1CCCC[C@H]1c1nc(CCCC)no1 40714524 LTAVJMRBUMXXLV-ZDUSSCGKSA-N 308.426 3.449 0 40 DGAB Fc1ccc(OCCN2CCO[C@@H](c3ccc(F)cc3)C2)cc1 44736252 SHYFTNQNGSOVRM-GOSISDBHSA-N 319.351 3.417 0 40 DGAB Cc1cc(C(=O)N[C@H](c2ccccc2)c2nccn2C)c(C)o1 44890750 QPWNTXVWZSOLSN-MRXNPFEDSA-N 309.369 3.149 0 40 DGAB COc1ccc(NC(=O)CCCCC(=O)c2ccccc2)cn1 48165971 WMXLQKQQKLOHIZ-UHFFFAOYSA-N 312.369 3.472 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)C[C@H]2C=CCC2)c1 48304269 PFEVNDLHHSDGCG-CABCVRRESA-N 314.429 3.187 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)CCCC2)c1nnc2ccccn12 48374309 HPFFFVFJWMKWKW-CYBMUJFWSA-N 320.396 3.099 0 40 DGAB CCN(CCNC(=O)c1scnc1Cl)c1ccccc1C 53811683 VLOFJFPIMKTKQM-UHFFFAOYSA-N 323.849 3.361 0 40 DGAB C[C@@H](O)CN(Cc1nc(Cc2ccccc2)no1)c1ccccc1 58330230 JFMBWDDIQMDWLA-OAHLLOKOSA-N 323.396 3.048 0 40 DGAB CCN(CC(=O)N(Cc1ccccn1)C1CC1)c1ccccc1 58368254 FJQCUULIJCQEOD-UHFFFAOYSA-N 309.413 3.099 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58420767 ZJIFAFVSWRHVAZ-VIFPVBQESA-N 303.387 3.013 0 40 DGAB Cc1c(C(=O)N[C@@H](C)CC[C@@H]2CCCO2)oc2c1C(=O)CCC2 58423973 RXKKOEVNNIXUFA-AAEUAGOBSA-N 319.401 3.185 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)o1)c1ccc2c(c1)COC2 64488394 QZBKBLQOPDDDLC-UHFFFAOYSA-N 320.348 3.302 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)COc2ccccc2C)cc1 65720376 OJKUTUDFYVOSBE-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(-c3nc(C4CC4)n[nH]3)c2)cn1 69457449 UWEITLYKOWSUNG-UHFFFAOYSA-N 319.368 3.305 0 40 DGAB CCn1c(C)nnc1SCc1nc2c(F)cccc2n1CC 69593318 COSUSBKTGHKZAR-UHFFFAOYSA-N 319.409 3.407 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@@H](c2nc(C)no2)C(C)C)c1 69704145 FHDCWPJRMINXSH-CQSZACIVSA-N 316.361 3.099 0 40 DGAB O=C(Cc1cccs1)NCc1cccc(OCC(F)F)c1 69780264 DTUPQDAMPHEZKC-UHFFFAOYSA-N 311.353 3.251 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccoc2C)n1 71865462 WONCPTWQVOTWRY-OAHLLOKOSA-N 301.390 3.096 0 40 DGAB Cc1csc(C2(NC(=O)c3cnc(C)s3)CCCC2)n1 71902968 NMTHOLIGLKGKQE-UHFFFAOYSA-N 307.444 3.416 0 40 DGAB CCCc1noc([C@H](C)Nc2ccc(CNC(=O)OC)cc2)n1 71910256 CBAOEXLCJFWUMS-NSHDSACASA-N 318.377 3.051 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)c(Cl)c2)[C@H]1c1ccccc1 72227777 WRVZLCBXJSDZFA-KGLIPLIRSA-N 307.180 3.409 0 40 DGAB CSc1ccc(OCCn2ccnc2-c2cnccn2)cc1 72302055 GBLPZUJAALCLFG-UHFFFAOYSA-N 312.398 3.141 0 40 DGAB CC(=O)N1CCC[C@H](c2cccc(Nc3cccc(C)n3)n2)C1 72375928 ZDZWVBYEYPQUAF-HNNXBMFYSA-N 310.401 3.255 0 40 DGAB Cc1cc(C)n(Cc2cccc(-c3noc([C@H]4CCCO4)n3)c2)n1 74449442 GSSYATVZXZAEHP-MRXNPFEDSA-N 324.384 3.450 0 40 DGAB COc1cccc(N2C[C@H](c3nc4ccccc4o3)CC2=O)c1 76555360 VDXCTDSXLHBWHX-GFCCVEGCSA-N 308.337 3.357 0 40 DGAB Cc1nccc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)n1 78393889 NRWAGFIYRDVENO-UHFFFAOYSA-N 313.376 3.019 0 40 DGAB Cc1csc(-c2ccc(NC(=O)N3CCO[C@@H](C)C3)cc2)n1 78394981 KVAWREPLVOMWHI-LBPRGKRZSA-N 317.414 3.371 0 40 DGAB CNC(=O)c1ccc(NC(=O)[C@@H](c2ccccc2)C(C)C)cc1 79290805 LNURCZPDJBRRQA-QGZVFWFLSA-N 310.397 3.425 0 40 DGAB COCc1ccc(C(=O)N[C@](C)(COC)c2ccccc2)cc1 79732374 MTHLRROGQDUAML-LJQANCHMSA-N 313.397 3.125 0 40 DGAB Cn1ccc2c(NC(=O)NCCc3ccc(O)cc3)cccc21 84321673 HCSLLFBEVUMGHQ-UHFFFAOYSA-N 309.369 3.248 0 40 DGAB Cc1nc2ccc(NC(=O)N(C)CCOCC3CC3)cc2o1 88350892 SVUQHRLDQBADCT-UHFFFAOYSA-N 303.362 3.027 0 40 DGAB FC(F)(F)c1ccc(CN2CCO[C@H]([C@@H]3CCCO3)C2)cc1 89154020 NGERKZLYVLUYTO-GJZGRUSLSA-N 315.335 3.085 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2cnc(C)s2)C1 89274925 YOAOEYRZLJXUQO-VXGBXAGGSA-N 313.492 3.267 0 40 DGAB CC(=O)c1ccc(Cl)c(NC(=O)Cc2csc(C)n2)c1 89709077 RETQGMGSUHJKMU-UHFFFAOYSA-N 308.790 3.489 0 40 DGAB COCC[C@@H](C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 89895601 QCLVCRXYBPCDHZ-SNVBAGLBSA-N 302.777 3.046 0 40 DGAB COc1ccc2nc(Cl)c(Br)c(C(=O)O)c2c1 95096645 XSYQPSYDRQNRKX-UHFFFAOYSA-N 316.538 3.358 0 40 DGAB CC(C)n1ccc(C(=O)NCCCCOc2ccccc2)n1 95396287 WCLSFGXDGOYYCN-UHFFFAOYSA-N 301.390 3.053 0 40 DGAB CSCC[C@@H](C)NC(=O)N1CCC[C@H]1c1c(C)n[nH]c1C 95984002 IOXUKNPMXVWZED-MFKMUULPSA-N 310.467 3.015 0 40 DGAB O=C(CCCCCNc1ncccn1)NC1CCCCCC1 96125572 RJZJFBBJLLQBBE-UHFFFAOYSA-N 304.438 3.288 0 40 DGAB COC(=O)C[C@H](C)S[C@@H](C)c1nc(-c2ccccc2)no1 96406314 MHZSWLJKYHQGAY-QWRGUYRKSA-N 306.387 3.482 0 40 DGAB CN(C[C@@H]1CCOC1)C(=O)NCC1(Cc2ccccc2)CCC1 96465888 FOPUABOBXSQOOX-KRWDZBQOSA-N 316.445 3.077 0 40 DGAB Cc1cccc(C(=O)Nc2cnccc2-n2ccnc2)c1Cl 97021445 QPAKMAUHHHHRCM-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CN1CCC(NC(=O)C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)CC1 100798464 JVBKHYHTKZAXDV-MJGSYPLASA-N 304.478 3.193 0 40 DGAB Cc1cc(C)nc(SCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)n1 102182615 QIPGXEQGRMPFOG-CBBWQLFWSA-N 319.474 3.126 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102597203 MRDDKGSOAPBVGT-MROQNXINSA-N 311.376 3.070 0 40 DGAB OC[C@@H]1CCC[C@@H]1N[C@@H]1CCc2c(Br)cccc21 108373349 ZXMOQZQELRBDMB-NZVBXONLSA-N 310.235 3.187 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1CC 222897544 AXLUDRBJUUBVDN-JKSUJKDBSA-N 314.458 3.286 0 40 DGAB COc1ccccc1Oc1ccc(NC(=S)NC2CC2)cn1 224032335 KPBNRLWFVFUFBN-UHFFFAOYSA-N 315.398 3.331 0 40 DGAB O=C(/C=C/c1ccccc1)N[C@H](c1cccnc1)C1CCOCC1 225617216 KVXNLHYKDPBWMC-IBDYFIJFSA-N 322.408 3.379 0 40 DGAB Cc1ccc(N(C)CCNC(=S)Nc2cc(C)ccn2)cc1 225796945 NYQYNNDCRYLWPG-UHFFFAOYSA-N 314.458 3.121 0 40 DGAB CC(C)c1ccoc1C(=O)N1CC[C@@H](Oc2ccncc2)C1 252506355 WACRXEPDOGITSG-CQSZACIVSA-N 300.358 3.092 0 40 DGAB Cc1nc(CN2CCO[C@@H](Cc3ccccc3Cl)C2)co1 257330295 XNSMKSQTJRRMGO-HNNXBMFYSA-N 306.793 3.080 0 40 DGAB CCOC(=O)c1cc(-c2ccc(/C=C\C(N)=O)o2)ccc1Cl 361633796 VXQUURFFLHPIFU-YVMONPNESA-N 319.744 3.275 0 40 DGAB CCN1C(=O)S/C(=C\c2cc(OC)c(OC)cc2C)C1=O 408549773 YVNMIZLVNIGHHE-JYRVWZFOSA-N 307.371 3.068 0 40 DGAB CCOCC[C@@H]1CCOC2(C1)CN(C(=O)c1cccc(C)c1)C2 575404877 QDZWHDNIJFRNCD-MRXNPFEDSA-N 317.429 3.043 0 40 DGAB CN(C[C@H]1CCCN2CCCC[C@H]12)C(=O)Nc1ccccc1 1565519542 CPBGZZHMGMCDSR-NVXWUHKLSA-N 301.434 3.415 0 40 DGAB biogenic O=C(c1cscn1)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009725 OQZNCZGAMXLPTB-QWRGUYRKSA-N 322.821 3.001 0 40 DGAB CCc1cccc2sc(N3CCC4(CC3)OCCO4)nc12 1888941762 CLNYYGHDSIDVAS-UHFFFAOYSA-N 304.415 3.202 0 40 DGAB CCOc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1OCC 285346 ANKWVCQCOYWZPS-UHFFFAOYSA-N 315.373 3.143 0 40 DGAB CC(=O)NCC[C@H]1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 518043 ARPMFCUGFIYTNS-QGZVFWFLSA-N 322.408 3.152 0 40 DGAB biogenic CCN(CC)C(=O)Cn1cc(C(=O)c2ccco2)c2ccccc21 560606 BXLPLSNFVSCDOJ-UHFFFAOYSA-N 324.380 3.334 0 40 DGAB COC(=O)CSc1nc(Cc2ccccc2)nc2ccccc12 1342681 KFQPLDGBOHNNAC-UHFFFAOYSA-N 324.405 3.486 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)nc1 1352750 OLUBRUBCTGAMLI-UHFFFAOYSA-N 301.321 3.212 0 40 DGAB O=C1NC(=O)C2(N1)c1cc(Cl)ccc1-c1ccc(Cl)cc12 1569588 NMHKRCBDKKVBOZ-UHFFFAOYSA-N 319.147 3.057 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)NC2CCCCC2)cc1 2660252 PMUGDSBFJRGNSA-UHFFFAOYSA-N 306.431 3.186 0 40 DGAB S=C(NC[C@H](c1ccco1)N1CCCC1)Nc1ccccc1 3436929 MDIIRHRNFTZIPI-OAHLLOKOSA-N 315.442 3.403 0 40 DGAB C[C@@H]1CCc2sc(NC(=O)c3cccs3)c(C(N)=O)c2C1 4071925 MEYYTWBITOXQFG-MRVPVSSYSA-N 320.439 3.286 0 40 DGAB O=C(CSc1ncnc2sccc12)Nc1ccccc1 4313393 LNRNCGLMKPIBBD-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB C(=C/c1nn2c(-c3cccnc3)nnc2s1)\c1ccccc1 4511777 VEVZFXIRGUCYPE-CMDGGOBGSA-N 305.366 3.418 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccncc2)cc1 5061774 INASVLWJSLSXNP-CYBMUJFWSA-N 312.369 3.391 0 40 DGAB CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@H](O)[C@]3(C)CC[C@H]12 6175932 MICZNRRTCUCNTP-XMGGFPIQSA-N 303.446 3.336 0 40 DGAB CCN(CC)c1cccc(OCC(=O)NCc2cccs2)c1 6507250 IYYYXMFCPVAAJC-UHFFFAOYSA-N 318.442 3.290 0 40 DGAB Fc1ccc2c(c1)C(c1ccncc1)=NNC(c1cccnc1)=N2 6534084 XDHWUECUNCKDNN-UHFFFAOYSA-N 317.327 3.050 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1cc(F)ccc1F 8105833 IOLQSQNGIHHJIH-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB O=C(OCc1nc(-c2ccc(Cl)cc2)no1)c1cccnc1 8289680 BLVHAIYXEAVHKY-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB CC1CCN(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2)CC1 8714306 YDVQYQOIQUIRRA-UHFFFAOYSA-N 323.245 3.382 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1nonc1-c1ccccc1 8868573 KSNNXZZMZSWBGM-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB C[C@H](SCC(=O)Nc1ccncc1)c1nc2ccccc2[nH]1 9156612 LGAUQEKXCLVCPY-NSHDSACASA-N 312.398 3.391 0 40 DGAB O=C(CN1CCc2sccc2C1)Nc1ccc(F)c(F)c1 10340998 UDQCCDBZFQTIRB-UHFFFAOYSA-N 308.353 3.023 0 40 DGAB Cn1ccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)n1 10752309 ZDGQGJCSMHKQLA-KRWDZBQOSA-N 324.359 3.351 0 40 DGAB CC(C)c1cc(C(F)(F)F)n2nc([C@H]3CCCNC3)cc2n1 12220411 YRJHCJVKIIYOCV-JTQLQIEISA-N 312.339 3.339 0 40 DGAB CCc1cccc(NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)c1 12782769 OTHDAXQJLWFACS-OAHLLOKOSA-N 312.344 3.453 0 40 DGAB CCC(CC)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 13017260 CFQQGKCQESTCBB-UHFFFAOYSA-N 317.433 3.235 0 40 DGAB CCC[C@H](C)NC(=O)CSc1nc2ccc(OCC)cc2[nH]1 13062330 HZJOVLYIXLRBAJ-NSHDSACASA-N 321.446 3.359 0 40 DGAB c1cc2c(cc1CSc1nnc3n1CCCCC3)OCO2 14126004 TTWBSBWYOOCRKE-UHFFFAOYSA-N 303.387 3.026 0 40 DGAB C[C@H](NC(=O)c1cc2ccc(N(C)C)cc2[nH]1)c1ccccn1 19658518 LWUFTLXIAUZUDT-LBPRGKRZSA-N 308.385 3.120 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)c1 20141480 ASKSXXPMGOBOJW-UHFFFAOYSA-N 315.325 3.132 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1cccc(Br)c1 20216174 FVTHFTOBVPMHRZ-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB COC(=O)c1n[nH]c2ccc(NC(=O)c3cc(C)ccc3C)cc12 25012792 UVDLQIJBOLFVLR-UHFFFAOYSA-N 323.352 3.219 0 40 DGAB Cc1cc(C)c(OCC(=O)NCCN(C(C)C)C(C)C)c(C)c1 27456551 KILQCMLKQMOUSD-UHFFFAOYSA-N 320.477 3.226 0 40 DGAB Fc1cccc(Cl)c1CNCc1cccnc1-n1cccn1 30902072 LCNRPGHOXDSQGW-UHFFFAOYSA-N 316.767 3.350 0 40 DGAB CC(C)Oc1ccc(CNC(=O)c2ccc(N(C)C)cc2)cc1 32797010 VKUWOZWYRRCILO-UHFFFAOYSA-N 312.413 3.470 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1ccc(OC(F)F)cc1 32973844 ZVYZJKOUKPHPSD-UHFFFAOYSA-N 321.279 3.327 0 40 DGAB Cc1ccc(C)c(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c1 33936556 FSBKDDPQPUPGCL-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1cc2cc(F)ccc2s1)C(=O)O 37411222 MNRTXFHQWGAVRF-SDBXPKJASA-N 309.362 3.270 0 40 DGAB Cc1cccc(OCCCNC(=O)Cc2ccc(F)cc2)c1 40013534 QMRVFNJYNGTGIY-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(CN(C)C)c2)cc1F 40081397 LFVWJYCWBGJNDA-UHFFFAOYSA-N 300.377 3.126 0 40 DGAB O=C(Nc1ccc(I)cc1Cl)C1CC1 40090827 UBSRVGZKDWGNCH-UHFFFAOYSA-N 321.545 3.293 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccc(Cl)cc1F 42645914 UCKQYHOIFCQPAG-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Cc1cc(C(=O)Nc2nncs2)c(C)n1Cc1cccs1 54194919 VCWWAHHZYQAYJJ-UHFFFAOYSA-N 318.427 3.319 0 40 DGAB O=C(CN(Cc1ccccc1)CC1CCC1)NC1CCCC1 60041874 VVZBRMFVLUSHEZ-UHFFFAOYSA-N 300.446 3.348 0 40 DGAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1ccnc1 65620565 WIVXZUIVCCTHQG-OAHLLOKOSA-N 312.417 3.066 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@@H]3C)CC2=O)cc1 69049146 ROSYSCXPUIENSA-ZMSDIMECSA-N 314.429 3.043 0 40 DGAB O=C(c1cccc(F)c1F)N1CCO[C@H](c2ccc(F)cc2)C1 69589206 ZFFUTJBPIJSYBW-HNNXBMFYSA-N 321.298 3.318 0 40 DGAB Cc1ccccc1C[S@](=O)Cc1cccc2c1OCCO2 69775347 FZPMIOWFJXUBSW-OAQYLSRUSA-N 302.395 3.215 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)CCCc3ccccc3)C2)c1 71186021 GOZLMWPZLUVTLH-SFHVURJKSA-N 311.429 3.378 0 40 DGAB O=C1CCCc2cc(NC(=O)N3CCCCCC3)ccc2N1 71799367 QFORJQFDXRSYBH-UHFFFAOYSA-N 301.390 3.369 0 40 DGAB Cc1ccc([C@@H]2[C@@H](N)C(=O)N2c2cccc(C(F)(F)F)c2)cc1 72227504 YLGCKJATDXAZLX-HUUCEWRRSA-N 320.314 3.429 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1cc(OC)cc(OC)c1 72298424 RLCILXMCEDSTCS-QGZVFWFLSA-N 315.417 3.087 0 40 DGAB COc1cc(Cl)cc(CN2C[C@@H]3CCCN3C[C@H]2C)c1OC 72324750 SXWZNVJUBWKOFT-DOMZBBRYSA-N 324.852 3.026 0 40 DGAB Cn1ncnc1CSc1ncc(C(F)(F)F)cc1Cl 78917054 MOINKTADZIIXMM-UHFFFAOYSA-N 308.716 3.175 0 40 DGAB O=C(Nc1ccc(-c2csnn2)cc1)N[C@@H]1CCCSC1 79014501 CBLUKLYIEXYXTQ-GFCCVEGCSA-N 320.443 3.222 0 40 DGAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@@H]1CC=CCC1 80507212 MYVUVQBRYROLBQ-SECBINFHSA-N 304.337 3.477 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2ccc3[nH]cnc3c2)C1 89275152 AVVZDTJFRMNSDR-ZDUSSCGKSA-N 303.431 3.311 0 40 DGAB Cc1ccc([C@H](C)C(=O)NCc2cc(C(=O)O)c(C)o2)cc1 89629736 MHMXHIWDJZYGOI-NSHDSACASA-N 301.342 3.015 0 40 DGAB CC(C)Cc1noc(CN2C[C@H](c3ccsc3)O[C@H](C)C2)n1 89937035 LLWGAXSPMRYQIV-TZMCWYRMSA-N 321.446 3.292 0 40 DGAB CCOc1ccc(-c2nc(N(C)C)sc2CC(=O)O)c(C)c1 95097211 OIFZIAYDFALKAO-UHFFFAOYSA-N 320.414 3.210 0 40 DGAB O=C(OCCOCC(F)(F)F)c1cnc(-c2ccoc2)s1 95399934 RCKUEWSYWDLDQD-UHFFFAOYSA-N 321.276 3.139 0 40 DGAB CSc1ccc(-c2ccnc3nc([C@@H]4CCCO4)nn23)cc1 95473261 LIDZPVQXHFTMES-AWEZNQCLSA-N 312.398 3.365 0 40 DGAB CC(C)N(C[C@H]1C[C@H]1C)S(=O)(=O)c1cc(F)cc(F)c1 95961889 LFKJHTDHWIJITB-GHMZBOCLSA-N 303.374 3.020 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)Nc2cccs2)cc1 96103288 PGPPAWAZIDCBIA-GFCCVEGCSA-N 308.428 3.325 0 40 DGAB CO[C@@H]1CCN(Cc2cc(C)on2)C[C@@H]1Cc1cccc(C)c1 96110215 WCNYORMTRWCLFX-PKOBYXMFSA-N 314.429 3.371 0 40 DGAB C[C@@H](NC(=O)CC(F)(F)F)c1nc(-c2cccnc2)cs1 96405469 BAFNCBLAQNTRKH-MRVPVSSYSA-N 315.320 3.335 0 40 DGAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cccc(F)c1 96408346 BJKKGVULBARIAK-NRFANRHFSA-N 305.374 3.265 0 40 DGAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2cc(F)ccc2F)n1C 96423554 MHVQUBLHCOKAQK-UKRRQHHQSA-N 304.340 3.032 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NC(=O)C1(C)CCCC1 96456253 JPXOUOAVMQRKOL-UHFFFAOYSA-N 318.417 3.306 0 40 DGAB C[C@@H](NCc1nc(C2CC2)no1)c1ccc(-c2cncnc2)cc1 96492207 MWCHVMAWSKYANG-GFCCVEGCSA-N 321.384 3.255 0 40 DGAB CCOC1CCN(Cc2cc(C(=O)OC)ccc2Cl)CC1 96500518 BXDNQGQCSUAUSU-UHFFFAOYSA-N 311.809 3.128 0 40 DGAB CCc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2)o1 97019357 KGBOVUOYNOMFOP-CQSZACIVSA-N 301.342 3.096 0 40 DGAB CCn1nc(C)c(CNc2nnc(C(F)(F)F)s2)c1C 97114447 JRCQVXIQHNPEPL-UHFFFAOYSA-N 305.329 3.002 0 40 DGAB CN(C)[C@@H](CNC(=O)NCCC1CCCC1)c1ccccc1 97337207 JLQAYIKDZJDZIO-KRWDZBQOSA-N 303.450 3.169 0 40 DGAB COc1ccc(N2CC(O)=C(c3nc(C)cs3)C2=N)cc1 102732661 DHVGREBWNYEDJM-UHFFFAOYSA-N 301.371 3.227 0 40 DGAB CO[C@@H](C(=O)NC[C@H]1CCOc2ccccc21)c1ccccc1 108736119 MMWBKXSMTKOMHM-CRAIPNDOSA-N 311.381 3.057 0 40 DGAB O=C(O)CN(Cc1ccccc1)C(=O)c1ccccc1Cl 170310319 VWAXHJJKBNEDKI-UHFFFAOYSA-N 303.745 3.067 0 40 DGAB c1nnc(-c2ccc(OCCc3ccc4c(c3)CCO4)cc2)o1 195572868 CTBJSGUQDGGTHK-UHFFFAOYSA-N 308.337 3.293 0 40 DGAB Cc1cc(C)cc(NC(=O)COc2c(C)cccc2C(=O)O)c1 217720762 AYRWQYWHKQIQMG-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB COc1cccc(C=O)c1OCCCCN1CCC(C)CC1 217792490 DQCZRICOSKHKFK-UHFFFAOYSA-N 305.418 3.399 0 40 DGAB COc1ccc(C(=O)NC2CC2)cc1COc1cccc(C)c1 224106881 SEQNRFFDKVIMBY-UHFFFAOYSA-N 311.381 3.475 0 40 DGAB Cc1cn(C(C)C)nc1NCc1cc(C(F)(F)F)nn1C 256051355 IVOBJYWTJLSQQW-UHFFFAOYSA-N 301.316 3.137 0 40 DGAB CO[C@H]1CCCOC12CCN(Cc1cccc(F)c1F)CC2 257229973 GAENWVHYRBCMOH-HNNXBMFYSA-N 311.372 3.125 0 40 DGAB CC(=O)N1CCCCC[C@@H]2N(C)[C@H](Cc3ccccc3)C[C@@]21C 257257011 KNRVFNURIRLEAI-AABGKKOBSA-N 314.473 3.483 0 40 DGAB O=C(c1c[nH]cn1)N1CCC[C@@H](Cc2ccc3ncccc3c2)C1 257284679 PDUFYCXAEZHKON-HNNXBMFYSA-N 320.396 3.053 0 40 DGAB CN(C(=O)c1cnn2c(-c3ccc(F)cc3)ccnc12)C1CCC1 257304657 SMOKMYFQWACQJX-UHFFFAOYSA-N 324.359 3.160 0 40 DGAB O=C(c1ccsc1)N1CCCC[C@H]1c1ccn2nccc2n1 257308921 TYTCHSCRKNPURQ-AWEZNQCLSA-N 312.398 3.158 0 40 DGAB CC(C)(C[C@@H]1CCCN(C(=O)N[C@H]2C[C@@H]3C[C@@H]3C2)C1)C(=N)O 333447458 XURZTWSDUOZUCV-FQUUOJAGSA-N 307.438 3.158 0 40 DGAB CC[C@H](C)n1ncc(NC(=O)N2C[C@@H](C)OC(C)(C)C2)c1C 390833675 LIAPWPCHNYRWNO-NWDGAFQWSA-N 308.426 3.194 0 40 DGAB O=C1O[C@H](C(=O)Nc2cccc(Cl)c2)Cc2ccccc21 205517 WMMVWOUGKCSHRA-AWEZNQCLSA-N 301.729 3.060 0 40 DGAB CCn1c(SCC(=O)NC(C)(C)C)nnc1-c1cccs1 779336 HNGSQGMVQJYVLF-UHFFFAOYSA-N 324.475 3.033 0 40 DGAB CCOc1nc(C)cc(C)c1S(=O)(=O)c1cccc(C)c1 1403037 DKVOMBJRDXFASM-UHFFFAOYSA-N 305.399 3.238 0 40 DGAB CN(C(=O)COc1cccc(Br)c1)c1ccccc1 1470229 ROZDKCSJPZQYSH-UHFFFAOYSA-N 320.186 3.491 0 40 DGAB Cc1nc2nc(NCc3ccc(F)cc3)nn2c(C)c1Cl 2204319 FSNNHDCFUQLSQP-UHFFFAOYSA-N 305.744 3.146 0 40 DGAB CCCCNc1nc(SCC(=O)OCC)nc2ccccc12 2941543 GMRTYDVHGBCNIW-UHFFFAOYSA-N 319.430 3.497 0 40 DGAB CN(C(=O)CSc1nnc(-c2ccco2)o1)C1CCCCC1 3291926 HDSFENFVYCJBSJ-UHFFFAOYSA-N 321.402 3.213 0 40 DGAB Cc1ccc(S(=O)(=O)c2nc(C)oc2N2CCCCC2)cc1 4193173 FPVODTNFJLLPAG-UHFFFAOYSA-N 320.414 3.115 0 40 DGAB CCO[C@@H]1C(Br)=Cc2ccccc2N1C(=O)OC 5022833 LBJLIIHYNMEQLX-GFCCVEGCSA-N 312.163 3.371 0 40 DGAB CCCCOCCOCCOCCOCCSCCCC 5420268 XPCMZGANNYBVGC-UHFFFAOYSA-N 322.511 3.386 0 40 DGAB c1ccc(NNc2ncnc3c2cnn3-c2ccccc2)cc1 5604023 NLSDLQSFBGGIOE-UHFFFAOYSA-N 302.341 3.255 0 40 DGAB O=C(COC(=O)Cc1ccc(F)cc1)Nc1cccc(Cl)c1 5634194 LJLHIDCMLUWMBY-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)s1 5975351 JGOSNRLIWWEQBW-UHTWSYAYSA-N 309.431 3.297 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2CCCc3ccccc32)cc1 6502220 VNNNYCVXWHFSFB-QGZVFWFLSA-N 301.411 3.351 0 40 DGAB CCOc1ncccc1C(=O)Nc1nc2ccccc2n1CC 6657406 GUUNIMIIKJKIEP-UHFFFAOYSA-N 310.357 3.102 0 40 DGAB O=S(=O)(c1ccc2c(c1)CCC2)N1CCCc2ccccc21 7306104 OKOUUNXJGRRYNM-UHFFFAOYSA-N 313.422 3.317 0 40 DGAB O=c1[nH]c(SCc2ccc(F)cc2)nnc1-c1ccccc1 11990961 DIRABALTBNWQDE-UHFFFAOYSA-N 313.357 3.263 0 40 DGAB CCC(CC)C(=O)N[C@@H]1CCCc2nc(-c3ccncc3)ncc21 12241901 RVUDUVJJEZREMX-QGZVFWFLSA-N 324.428 3.468 0 40 DGAB Nc1nc2c(s1)[C@H](c1ccc(C(F)(F)F)cc1)CC(=O)N2 12429122 OOYQWKLMDWQYGN-QMMMGPOBSA-N 313.304 3.218 0 40 DGAB CCOc1ccc(C(=O)N2CCO[C@H](c3ccccc3)C2)cc1 12441532 TWUBGZIQOGTBFL-SFHVURJKSA-N 311.381 3.299 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12507399 MKNGFVWOCMCEIG-KRWDZBQOSA-N 305.381 3.248 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 12794374 AGBNNCAMZPHBMA-LLVKDONJSA-N 317.776 3.489 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)c1ccc(-n2cncn2)cc1 12995745 PREWXIZXKDGYGM-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB CN(C)[C@@H](CNC(=O)CCc1ccccc1)c1ccsc1 13011175 FQXIVKDBRAIHPA-INIZCTEOSA-N 302.443 3.100 0 40 DGAB CC[C@H](C)C(=O)Nc1cc2c(cc1Br)OCCO2 13024308 WJUIPRMEEZWENY-QMMMGPOBSA-N 314.179 3.205 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)cc1 13225135 CGFIVURAFDUSHQ-UBHSHLNASA-N 307.777 3.198 0 40 DGAB in-vitro CC[C@H](Oc1ccc(OC)cc1)C(=O)N1CCc2ccccc21 13596269 KCWDFJWWSPNBQV-SFHVURJKSA-N 311.381 3.442 0 40 DGAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1C[C@H](C)O[C@H](C)C1 13745610 XTDJRHNMWOHEGI-UXLLHSPISA-N 305.418 3.097 0 40 DGAB NC(=O)c1ccsc1NC(=O)Cc1ccc2ccccc2c1 13973058 IXVMBCBDOWHDQP-UHFFFAOYSA-N 310.378 3.181 0 40 DGAB COc1ccccc1CNc1nccn(-c2cccc(C)c2)c1=O 15732377 DNZWWKLJKZOLFG-UHFFFAOYSA-N 321.380 3.162 0 40 DGAB COc1ccc(C)cc1NC(=O)c1noc2c1C[C@@H](C)CC2 20357202 NUDHGVPVGUMJQT-JTQLQIEISA-N 300.358 3.369 0 40 DGAB O[C@H](CNC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 22029964 QKQLDJIRSWQZPF-ZWKOTPCHSA-N 314.429 3.130 0 40 DGAB CCOc1cc2c(cc1CSc1nnc(N)s1)O[C@@H](C)C2 22357388 DCYDFOZMKNWVKE-QMMMGPOBSA-N 323.443 3.135 0 40 DGAB CCN(C(=O)/C=C/c1cnn(C)c1)C12CC3CC(CC(C3)C1)C2 23258829 XXACXRFCEMQOFN-SNAWJCMRSA-N 313.445 3.251 0 40 DGAB CC(C)(C)c1ccc(OCCn2nnc3ccccc3c2=O)cc1 24034729 DVOXVQFRQLQEBZ-UHFFFAOYSA-N 323.396 3.168 0 40 DGAB Cc1ccc2c(CC(=O)N[C@@H](C)c3cnn(C)c3C)coc2c1 24998643 ZQPTWSSTAJKGRG-LBPRGKRZSA-N 311.385 3.203 0 40 DGAB CCOc1ccc(C(=O)N(C)Cc2c(C)nn(CC)c2C)cc1 28573414 LCLSCCPGLGPHPS-UHFFFAOYSA-N 315.417 3.191 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2C)cc1 30763206 JMMATRYSORZJED-OAHLLOKOSA-N 324.424 3.431 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1cccc(F)c1)CC(O)=N2 32071193 KTZKZIMSFJXYAX-CYBMUJFWSA-N 323.331 3.233 0 40 DGAB CC[C@H](C)NS(=O)(=O)c1cc(C)c(C)cc1Br 32601830 PCXXNBRCNHVWFB-JTQLQIEISA-N 320.252 3.143 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccccc1OC(F)F 32885715 DVPLAGPBPUGXLN-GFCCVEGCSA-N 321.323 3.372 0 40 DGAB Cc1cccc(NC(=O)COc2ccccc2-c2noc(C)n2)c1 33325003 GNEYXRCTNQVXTR-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB O=C(Nc1cccc(-c2cc[nH]n2)c1)c1ccc2nsnc2c1 38490089 QBRQRWWGKOBJTA-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB COc1ccccc1CC(=O)N1CCCc2c(F)cc(F)cc21 40090392 NJRBWHOMCUIQSA-UHFFFAOYSA-N 317.335 3.495 0 40 DGAB c1ccc2c(c1)OCC[C@@H]2NCc1cccc2c1OCCCO2 42796956 ZDRUZEORGBYROG-INIZCTEOSA-N 311.381 3.461 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)CCc1ccsc1 47174348 MTDYXHVBJVAAMO-UHFFFAOYSA-N 312.398 3.209 0 40 DGAB Cc1nc(-c2ccccc2)sc1[C@@H](C)NC(=O)[C@H]1CCCO1 53423950 KMHKHKSLRWQVQS-BXUZGUMPSA-N 316.426 3.475 0 40 DGAB CCN(Cc1cccc(C)c1)Cn1ncc2ccccc2c1=O 54467598 LNMIJTXOWCEOKL-UHFFFAOYSA-N 307.397 3.185 0 40 DGAB CCc1c(C(=O)N(C)Cc2ccoc2C)cnn1C(C)(C)C 56252626 ZCOQSEDRBNQCMQ-UHFFFAOYSA-N 303.406 3.374 0 40 DGAB Cc1cc(=O)oc2c3c(ccc12)OCN(CCCOC(C)C)C3 57140162 INQNYBMNJNFJTQ-UHFFFAOYSA-N 317.385 3.068 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)Nc1nccs1 58051774 DQVUQWZKQAJHGJ-NSHDSACASA-N 319.434 3.294 0 40 DGAB COCC[C@H](C)NC(=O)c1cc(Cl)c(OC)c(Cl)c1 58174061 JMNKLVDDXOGPRS-QMMMGPOBSA-N 306.189 3.157 0 40 DGAB COc1cc(CNC(=O)c2cnc(C(C)(C)C)s2)ccc1O 58327512 ZJCMWNSHQPHNAR-UHFFFAOYSA-N 320.414 3.085 0 40 DGAB CCCN1CCC(NC(=O)[C@@H](C)Oc2ccc(Cl)cc2)CC1 58377801 WXQWJMIEGZNVSK-CYBMUJFWSA-N 324.852 3.098 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1(C)C 65475516 HSBDKNVVZRHBIM-GOEBONIOSA-N 324.428 3.326 0 40 DGAB Cc1ccc([C@H](NC[C@@H]2CNc3cc(C)nn3C2)C2CC2)cc1 65623778 ZTLKXFAVNZOJOZ-KXBFYZLASA-N 310.445 3.283 0 40 DGAB COc1ccc(C(=O)N(C)CCc2ccccc2F)c(OC)c1 68212558 IXKYSUUUMJLOLM-UHFFFAOYSA-N 317.360 3.158 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)/C=C/c1ccsc1 68727043 ALGXLKNXECBIOV-VOTSOKGWSA-N 310.382 3.196 0 40 DGAB CN(Cc1cccnc1)C(=O)Cc1csc(C(C)(C)C)n1 69532458 YQCKWCLVFBERLH-UHFFFAOYSA-N 303.431 3.037 0 40 DGAB Cc1noc(C2CCN(C(=O)Nc3ccc(F)cc3C)CC2)n1 69570312 XLMWGSIWVAGJHC-UHFFFAOYSA-N 318.352 3.237 0 40 DGAB O=C(Cc1coc(-c2ccc(Cl)cc2)n1)NCc1ccoc1 69704104 QMKWJYRGYSDVBD-UHFFFAOYSA-N 316.744 3.447 0 40 DGAB C[C@@](O)(CNC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 70639604 PJPMKYUTMFJTGL-MRXNPFEDSA-N 323.314 3.343 0 40 DGAB COc1cc(-n2cccc2)c(C)cc1NC(=O)c1ccccn1 71284173 OZKBVFYFFOYWCP-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB C[C@H](c1ccccn1)N1CCC(CNC(=O)OC(C)(C)C)CC1 72203780 LBYCCMUITUMZQP-CQSZACIVSA-N 319.449 3.379 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)cc1 72228088 BGFGFQQCKOVOMF-HZPDHXFCSA-N 316.788 3.154 0 40 DGAB CC(C)Oc1cc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc2occc12 72240198 PPDFWYCVKJMYQO-CHWSQXEVSA-N 317.385 3.469 0 40 DGAB O=C(CCc1ccccc1)NC[C@](O)(c1cccs1)C1CC1 75155275 JSTGEZWGCFLVKP-GOSISDBHSA-N 315.438 3.095 0 40 DGAB CCNC(=O)N[C@@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 75165981 YYLZYEACJIUHRO-KGLIPLIRSA-N 323.368 3.005 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2csc(C)n2)C1 76088365 GXFLXWNYXLUGDW-DGCLKSJQSA-N 313.492 3.267 0 40 DGAB CCC(CC)C(=O)N1CCC(c2n[nH]c(=S)n2C2CC2)CC1 78502695 YDWZMIZEDNUNTK-UHFFFAOYSA-N 322.478 3.418 0 40 DGAB CCN(C)c1ccccc1NC(=O)Cc1c(C)noc1Cl 78917351 IOLQFVOHGGOYGU-UHFFFAOYSA-N 307.781 3.274 0 40 DGAB CC[C@@H](Nc1cccc(COCCc2ccccc2)c1)C(N)=O 79030067 FXWAEFXLELLXSY-GOSISDBHSA-N 312.413 3.122 0 40 DGAB COCc1cccc(C(=O)N(C)[C@H]2CCc3ccccc3C2)c1 79309600 BGKAPKIZNKAFSU-IBGZPJMESA-N 309.409 3.463 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)Cc1ccc2c(c1)OCC2 79493743 XTQBSSXEOFIAQD-UHFFFAOYSA-N 313.401 3.197 0 40 DGAB Cn1cc(CCC(=O)N2CC3(CCCC3)c3ccccc32)cn1 81578256 ANKLKRDXIQAGFP-UHFFFAOYSA-N 309.413 3.211 0 40 DGAB S=C(Nc1ccccc1)Nc1nnc(-c2cccnc2)s1 95116335 XRITWVCHVZLYAP-UHFFFAOYSA-N 313.411 3.409 0 40 DGAB CC(C)(C)[C@@H](Nc1nn2c(=O)ccnc2s1)c1cccs1 95409767 HCQJNZDOWCFUIJ-NSHDSACASA-N 320.443 3.412 0 40 DGAB CC(C)(C)OC1CCN(c2cc(NCC3CC3)ncn2)CC1 95442068 AAJUKFYZPRTUNV-UHFFFAOYSA-N 304.438 3.082 0 40 DGAB COc1ccc([C@H]2CCCN2c2cc(=O)n3ccccc3n2)cc1 95946859 TUVRJKYGYLLGAF-MRXNPFEDSA-N 321.380 3.045 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cccc(OC(F)(F)F)c2)o1 95966945 JTVSJAFAHISYPS-ZETCQYMHSA-N 316.235 3.195 0 40 DGAB C[C@H](N[C@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 95968491 HHTLSUVGQNATNS-JSGCOSHPSA-N 302.349 3.453 0 40 DGAB C[C@H](CN(C(=O)c1cc2c(F)cccc2s1)C1CC1)C(=O)O 95991928 WZAMNLBORNACDY-SECBINFHSA-N 321.373 3.366 0 40 DGAB Cc1noc(C)c1[C@@H](C)CNC(=O)N[C@H]1CC(C)(C)OC1(C)C 95995132 YMEWGJYFJJDKOT-GWCFXTLKSA-N 323.437 3.040 0 40 DGAB COCC[C@@H]1COC2(CCN(C(=O)C3CCCCC3)CC2)C1 96220247 BXSVKKGVTBCQAK-HNNXBMFYSA-N 309.450 3.001 0 40 DGAB Cc1cccc(NC2CCN(C(=O)COC3CCCC3)CC2)c1 96420981 PGADVFUJPGXCTC-UHFFFAOYSA-N 316.445 3.357 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)Nc2nnc(C)s2)C1 96452173 YUEZFVOSYOIIII-ZJUUUORDSA-N 300.453 3.032 0 40 DGAB COc1ccc(-c2nc(/C=C3/SC(=O)NC3=O)cs2)cc1 96926566 SAVWOQKPIOGBHZ-IZZDOVSWSA-N 318.379 3.143 0 40 DGAB COc1cc(-c2nc3ccncc3[nH]2)cc(Br)c1O 97022114 LYPHBYNSAGDOPQ-UHFFFAOYSA-N 320.146 3.102 0 40 DGAB O=C(O[C@@H](c1ncccn1)C1CCCC1)c1ccn2cncc2c1 97034348 PTLZFJYVDMYNGH-MRXNPFEDSA-N 322.368 3.213 0 40 DGAB COCCC1(C(=O)N2CC[C@H](c3ccc(OC)cc3)C2)CCC1 97227819 NQUHLBRXHRQEGS-INIZCTEOSA-N 317.429 3.218 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)N1CCCC[C@H]1c1cn[nH]c1 97234568 WIPXQFQNCJAVMV-IRXDYDNUSA-N 310.401 3.334 0 40 DGAB CCc1nc([C@@H](C)NCC(=O)N(C)c2ccccc2)cs1 97374505 BJCWTKAVHPITGM-GFCCVEGCSA-N 303.431 3.019 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)N(c1nc3c(s1)CCCC3)C2=O 100081037 GIDXMEFKYLCZSF-BMLIUANNSA-N 318.442 3.338 0 40 DGAB C[C@@]12C=C[C@@](C)(O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 101356595 KPLHLZRTFOXTCQ-OBMJPTGESA-N 319.360 3.063 0 40 DGAB Cc1c(C)n(Cc2cccnc2)c2ncn(CC(C)C)c(=N)c12 101398516 DRYCJBJQBCKLJU-UHFFFAOYSA-N 309.417 3.033 0 40 DGAB CNC(=O)CSCc1ccc(Br)c(Cl)c1 190076255 VGGPEFOCFHJPPF-UHFFFAOYSA-N 308.628 3.082 0 40 DGAB C[C@@H]1C[C@H](c2cccnc2)N(C(=O)CCC(=O)OC(C)(C)C)C1 192355501 VAVXDNXOFZNVCT-UKRRQHHQSA-N 318.417 3.113 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)N[C@H](C)CC 222622800 RBWDXVQCQXUZOG-WBVHZDCISA-N 318.461 3.161 0 40 DGAB COc1cccc(O[C@@H](Cc2cccc(C)c2C)C(=O)O)c1 225023194 NYQFPUBWIJGODK-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2ccccc2OC)cc1C 225373813 ZFGPIFDGHZHZCE-CQSZACIVSA-N 313.397 3.432 0 40 DGAB COc1cc([C@@H]2C[C@@H](O)c3ccccc3N2)cc(OC)c1OC 225817163 GXHKCMCWXWGCDJ-LSDHHAIUSA-N 315.369 3.303 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257238383 HKSYVVSZZVPWLK-AWEZNQCLSA-N 301.415 3.091 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc4c(s3)CCC4)C2)n1 257327835 XCZCAXSKPYBWHM-CYBMUJFWSA-N 315.442 3.288 0 40 DGAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@@H]1c1ccn[nH]1 257333215 YAQVEZBKXCELGI-OAHLLOKOSA-N 312.348 3.398 0 40 DGAB O=C1CC[C@H](C(=O)N2CCCC[C@H]2c2ccco2)n2cccc21 578292454 WBCSTFHBJNUCEH-LSDHHAIUSA-N 312.369 3.353 0 40 DGAB CO[C@H](C)CN(C)C(=O)c1[nH]c(-c2cccc(Cl)c2)nc1C 585082681 HUIOZBNDLKMNDK-SNVBAGLBSA-N 321.808 3.145 0 40 DGAB CC[C@H](O)c1nccn1Cc1cscc1Br 585137000 CFUUSLPVGVVXTM-JTQLQIEISA-N 301.209 3.199 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc(C)c(Cl)c3)ccc2n1 1888913391 KLFZPDQWMQVNHS-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB Cc1c(C)n(C[C@@H](O)Cn2ccnc2C)c2c(Cl)cccc12 12421919 MOKAOEXRKLOEBX-AWEZNQCLSA-N 317.820 3.478 0 40 DGAB O=c1[nH]c(CN2CCC[C@@H]2c2ccccc2)nc2ccccc12 24031699 GDZFLVFHDZPYED-QGZVFWFLSA-N 305.381 3.260 0 40 DGAB COc1ccc(OCCN(C)c2ncnc3ccsc23)cc1 24717197 ZOQKDPMMRBUPGB-UHFFFAOYSA-N 315.398 3.215 0 40 DGAB O=C(OCCOc1ccccc1)c1c[nH]nc1-c1ccccc1 12556569 QCBAYQYBTRIJII-UHFFFAOYSA-N 308.337 3.313 0 40 DGAB Cc1c([C@H](C)NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)cnn1C 25001839 XBUGHCFKYQWQGM-JAQLGLJKSA-N 313.401 3.336 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)[C@H]1C[C@H]2CC[C@H]1C2 106653164 JEOMQPNHSJAZLL-JYJNAYRXSA-N 323.396 3.430 0 40 DGAB c1ccc(C[C@H]2CCCN2Cc2nc(-c3cccnc3)no2)cc1 55528370 AAUSBQQBZZFZIF-QGZVFWFLSA-N 320.396 3.339 0 40 DGAB Cc1nc2ccccc2c(N2CCC[C@@H](c3nncn3C)C2)c1C 97085915 NYYTUVQHANLHFF-OAHLLOKOSA-N 321.428 3.364 0 40 DGAB O=C(Cc1cccc(O)c1)Nc1ccc(F)cc1NC1CC1 97059774 NBGAULYDTYSYQM-UHFFFAOYSA-N 300.333 3.287 0 40 DGAB COc1cc(N[C@H](C)C(=O)Nc2cccc(F)c2)cc(OC)c1 12605908 LOQVLUHQOYFTCO-LLVKDONJSA-N 318.348 3.282 0 40 DGAB O=S(=O)(Nc1ccc(-c2ncc[nH]2)cc1)c1ccc(F)cc1 102697562 NMKKAICQMNWHBU-UHFFFAOYSA-N 317.345 3.017 0 40 DGAB O=C(Nc1ccc(OC[C@H]2CCCO2)cc1)OCC(F)(F)F 58159377 RQEDHLZTGAIREO-GFCCVEGCSA-N 319.279 3.355 0 40 DGAB O=C(CC1CCCC1)NCc1cccnc1N1CCCCC1 58179208 MHMXZZZUMBWLSF-UHFFFAOYSA-N 301.434 3.268 0 40 DGAB COc1ccccc1CN(C)C(=O)/C=C/c1csc(C)n1 48234695 DXGQMJAQPPMWCU-CMDGGOBGSA-N 302.399 3.132 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1cccnc1 44889735 SMFWDOGNXDJIBI-OAHLLOKOSA-N 314.389 3.023 0 40 DGAB C[C@@H](CNS(=O)(=O)Cc1ccccc1F)c1ccccc1 58281681 ORIJTZLDTHOREV-ZDUSSCGKSA-N 307.390 3.049 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)N1CC[C@@H]1c1ccccc1 58297382 FTYRBYBYHLWSSG-MRXNPFEDSA-N 319.368 3.246 0 40 DGAB O=C(O)C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl 58308187 QOMCGUDNJXXAIO-BXUZGUMPSA-N 307.777 3.328 0 40 DGAB CCOC(=O)COc1cc(C)nc2cc(Cl)c(OC)cc12 64874623 UMLDGYIQTUWWCJ-UHFFFAOYSA-N 309.749 3.147 0 40 DGAB Cc1cnc(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)cn1 12772655 ANICCRYVELDSQA-UHFFFAOYSA-N 319.767 3.382 0 40 DGAB CCc1nc2c3c4c(sc3nc(C)n2n1)COC(C)(C)C4 2241955 XVAUWKMOVJYVEF-UHFFFAOYSA-N 302.403 3.061 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)cc1 2632020 TWEXNWBYWFQAHY-UHFFFAOYSA-N 322.364 3.268 0 40 DGAB CC(C)[C@@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CCS1 72836459 OECWCTVOJDXNPS-AWEZNQCLSA-N 321.421 3.449 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)cc1C 3405233 WOAQUXNEUCOVIJ-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1ccc(OCCOc2ncnc3sccc23)cc1 3437299 GMSBTIGTUIKQBV-UHFFFAOYSA-N 302.355 3.158 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)Oc1ccc2c(c1)OCO2 48863317 XZPXMFNZYBRGAE-UHFFFAOYSA-N 316.357 3.203 0 40 DGAB Cc1ccccc1C(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 13185329 KELJKQYRLJKUAO-UHFFFAOYSA-N 323.392 3.254 0 40 DGAB C[C@](CC(=O)Nc1ccc(F)cc1)(C(=O)O)c1ccccc1 13251094 HAEWZNDVPUZHRN-QGZVFWFLSA-N 301.317 3.197 0 40 DGAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O 4515320 YKPWFAVCIRGJGH-HWPZZCPQSA-N 324.783 3.480 0 40 DGAB COc1ccc(CC(=O)Nc2ccc3c(c2)CCC3)c(OC)c1 14242803 JRBWUZSBTOKZGY-UHFFFAOYSA-N 311.381 3.374 0 40 DGAB Cc1nc(-c2ccccc2C)n(CC(=O)N[C@@H](C)c2ccco2)n1 66081861 NUMDOGLQZFIEHK-ZDUSSCGKSA-N 324.384 3.032 0 40 DGAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCCC1 4746190 FTTZVUUWVKTDRK-INIZCTEOSA-N 304.409 3.050 0 40 DGAB COC(=O)[C@@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C 72288065 GUVDYQZDCJZAHL-LLVKDONJSA-N 317.307 3.023 0 40 DGAB Cc1occc1C(=O)N1CCC[C@@H](c2noc(C(C)C)n2)C1 72232169 CUNJXORWNIRHEE-GFCCVEGCSA-N 303.362 3.114 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c(C)c1 9499104 HHMLXGNAFKIYMI-LBPRGKRZSA-N 310.353 3.275 0 40 DGAB CN(C)CC(C)(C)CNC(=O)Cc1ccc(Cl)c(Cl)c1 7406535 FZULMPAQEVUSES-UHFFFAOYSA-N 317.260 3.240 0 40 DGAB COc1cccc(CN(C)CC(=O)N[C@H](C)c2ccccc2)c1 7683481 FGPPARREFCATFU-OAHLLOKOSA-N 312.413 3.004 0 40 DGAB COc1cc2nc(/C=C/c3nccn3C)sc2cc1OC 71799387 RFKLCFSZKSZLCC-SNAWJCMRSA-N 301.371 3.217 0 40 DGAB O=C(NCc1cccnc1N1CCCCC1)C1CCCCC1 68915390 HWXGHUNQJOCPKP-UHFFFAOYSA-N 301.434 3.268 0 40 DGAB Cc1cc(C(=O)NC[C@H]2CCN(C(C)C)C2)c2ccccc2n1 68935891 NPZCXGCQWVMDAK-OAHLLOKOSA-N 311.429 3.003 0 40 DGAB CCn1c(CN[C@H](C)[C@H](C)n2cccn2)nc2cc(F)ccc21 70018039 RUMYZRYSMCYEJT-OLZOCXBDSA-N 315.396 3.131 0 40 DGAB O=C(CCc1ccc(-c2ccccc2)o1)NCCCn1ccnc1 8341482 RUZLZRXABHXOFL-UHFFFAOYSA-N 323.396 3.282 0 40 DGAB C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 70172477 JNSZDWGUOHDHDI-ONGXEEELSA-N 301.217 3.193 0 40 DGAB Cc1noc(C)c1CN(C(=S)NC1CC1)c1ccccc1 8684947 PVCFWKRNAXZNSD-UHFFFAOYSA-N 301.415 3.335 0 40 DGAB Cc1ccc(C)n1-c1sccc1C(=O)Nc1ccn(C)n1 69897192 XSNRJGZJLXJXSQ-UHFFFAOYSA-N 300.387 3.141 0 40 DGAB CN(C(=O)CSc1nc2ccccc2n1C)c1ccccc1 8778747 GOQKPNXUFGXDEC-UHFFFAOYSA-N 311.410 3.328 0 40 DGAB Cn1cc(C(=O)OCc2nc3cc(Cl)ccc3s2)cn1 95411663 UDKYMKSDXFYITI-UHFFFAOYSA-N 307.762 3.040 0 40 DGAB CCSCc1ccnc(NC(=O)[C@H](O)c2ccccc2)c1 95446946 IHTMXPHYWRWXNU-OAHLLOKOSA-N 302.399 3.007 0 40 DGAB CC(C)(NC(=O)Nc1ccccc1)C(=O)Nc1ccsc1 73771098 HJQDTACLZWEEFI-UHFFFAOYSA-N 303.387 3.287 0 40 DGAB O=c1ccc2c([nH]1)CCC[C@@H]2NCc1ccc(Cl)c(F)c1 95956254 PMBZRZVGYSKNFS-AWEZNQCLSA-N 306.768 3.335 0 40 DGAB O=C1CN(C(=O)/C=C/c2cc3ccccc3o2)c2ccccc2N1 9953240 WTHVXNMFGXYZPV-MDZDMXLPSA-N 318.332 3.431 0 40 DGAB C[C@H](O)[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 89894292 SBMJQNFOMMSDDD-JSGCOSHPSA-N 304.365 3.074 0 40 DGAB CCO[C@@H]1C[C@@H](O)C12CCN(c1ccnc3ccsc13)CC2 89986586 TVSLUXSDYLPJJN-HUUCEWRRSA-N 318.442 3.053 0 40 DGAB COc1ccccc1[C@H](NC(=O)c1cc[nH]c1C)c1ccccn1 89959164 RHOZNOMJHLVQCM-SFHVURJKSA-N 321.380 3.246 0 40 DGAB C[C@@H]1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 75582090 WPVINJCSSZSCCN-SNVBAGLBSA-N 322.206 3.341 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N1CCc2ccccc21 30865216 SXIYYYZPJLHOBX-SFHVURJKSA-N 311.381 3.442 0 40 DGAB CC1(C)OC[C@H]([C@H](c2ccco2)N(O)Cc2ccccc2)O1 3849355 ULQISDXVDFRISE-CVEARBPZSA-N 303.358 3.364 0 40 DGAB biogenic CC(C)Cc1ccccc1CNC(=O)NCC1=CCOCC1 527985389 YGZMPJCGQBPYEJ-UHFFFAOYSA-N 302.418 3.031 0 40 DGAB Cc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 72389891 KNOHCZSQPQSQOX-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB CC(=O)N1CCC[C@@H](c2nccnc2Oc2cccc(C)c2)C1 72361706 OQTNXJDAHKIARS-OAHLLOKOSA-N 311.385 3.303 0 40 DGAB Cc1noc(C)c1CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 192136989 KSISSHJTRMEYAB-JKSUJKDBSA-N 308.328 3.189 0 40 DGAB O=C(c1ccc(Cl)cc1)c1cccc(CN2CCOCC2)c1 43210999 AYDJYRIUSIGUQS-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB CN(C(=O)[C@H]1C[C@]12CCNC2)c1ccc(-c2ccccc2)cc1 578360464 KXXKKPXBLBOJPK-QUCCMNQESA-N 306.409 3.316 0 40 DGAB Cc1ccc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 97200766 LKQQXMMEQVCHDG-OAHLLOKOSA-N 322.412 3.465 0 40 DGAB c1csc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)c1 96110739 UQOWGYIJVJDZDZ-DJIMGWMZSA-N 307.459 3.297 0 40 DGAB C[C@H]1C[C@@H](C(=O)Nc2ccc(CO)c(CO)c2)CC(C)(C)C1 585130740 AYUMDVDCGVLANS-GXTWGEPZSA-N 305.418 3.072 0 40 DGAB CCOC(=O)c1nc(-c2ccc(C(F)(F)F)cc2)ns1 95917572 OZPIJQDPXKMQHJ-UHFFFAOYSA-N 302.277 3.401 0 40 DGAB c1ccc(C2CC(NCc3ccnc(-n4ccnc4)c3)C2)cc1 97371107 YKKFVGASHNOTQQ-UHFFFAOYSA-N 304.397 3.303 0 40 DGAB Clc1ccc(NC2CCN(Cc3ccccn3)CC2)nc1 96429828 PIZYZEVXVIWCNM-UHFFFAOYSA-N 302.809 3.207 0 40 DGAB C[C@H](NCCCNc1ccccc1)c1cccc(-n2cnnc2)c1 585134919 PHDAVBFUKATKJU-INIZCTEOSA-N 321.428 3.420 0 40 DGAB Cc1noc(C)c1-c1ccc(OC[C@H]2CCNC(=O)CC2)cc1 584103200 LWKPAEJHNYCGDE-CQSZACIVSA-N 314.385 3.254 0 40 DGAB FC(F)(F)c1cccc(-n2ccc(NCc3ncc[nH]3)n2)c1 96501571 PZZNHZNWSDLFIM-UHFFFAOYSA-N 307.279 3.226 0 40 DGAB Cc1ccc2c(c1)C=C[C@@H]2CC(=O)N[C@@H](CO)c1ccccc1 96345088 CERPILJUXHHDKU-MJGOQNOKSA-N 307.393 3.345 0 40 DGAB CC[C@H](C)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 248215369 FZCHYRPQSNRAQW-KSSFIOAISA-N 304.409 3.049 0 40 DGAB Cc1ccc(OC[C@H](O)CN[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 245240030 JZLKIRNVVWNSLK-DIKXUDHVSA-N 303.446 3.149 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2ncc(C)s2)C1 257317051 VIDPFFGSEAZHCR-LBPRGKRZSA-N 319.430 3.330 0 40 DGAB Cc1c[nH]c([C@H]2CN(C(=O)c3csc(C(C)C)c3)CCO2)n1 257239939 HRLGOMIXCKQYKT-CYBMUJFWSA-N 319.430 3.117 0 40 DGAB CCN(Cc1ccncc1)C(=O)c1cc2ccc(Cl)cn2n1 257266831 MESBKDCKWPQABS-UHFFFAOYSA-N 314.776 3.045 0 40 DGAB C[C@]12CC[C@@H](O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253596217 ONVVZSHYQMOXLN-YGNOGLJPSA-N 304.430 3.138 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260449443 VGWPKCOANXWONX-WFGGJUAMSA-N 305.443 3.481 0 40 DGAB O=C(O)c1ccc(C(=O)N2CC3C[C@H]4CC2C[C@@H](C3)C4)c(F)c1 262308894 BEGGPOQNTIYPFV-KCXRBIIJSA-N 317.360 3.175 0 40 DGAB Cc1cc(C(=O)CSc2nc(CC3CCCC3)n[nH]2)c(C)[nH]1 25149406 JFYJHMVQTFXNKS-UHFFFAOYSA-N 318.446 3.457 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 96103296 VPKZOXDMDNKZEY-OAHLLOKOSA-N 320.389 3.403 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1cccc(Cl)c1Br 719458992 BIOJLTPSINKYCR-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)N2C[C@@H](C)O[C@H](C)C2)c(Cl)c1 25412594 IVOPSEPLTZZSBD-MCIONIFRSA-N 324.852 3.393 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(CC)cc2)C1 69519576 SWYJUIQXVHQUFT-MRXNPFEDSA-N 316.445 3.018 0 40 DGAB Cc1noc(C)c1CNc1cc(Cl)ccc1C(=O)N(C)C 36882383 JQQSPYVVNCXDQW-UHFFFAOYSA-N 307.781 3.259 0 40 DGAB CCCCN(C)C(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 56653834 BVGQUOONIHIFIV-UHFFFAOYSA-N 311.813 3.306 0 40 DGAB Cc1cc(NC(=O)CSCc2ccncc2)n(C(C)(C)C)n1 50608951 VKFNLWJXCHZXKR-UHFFFAOYSA-N 318.446 3.213 0 40 DGAB CO[C@]1(C)C[C@H](N(C)C(=O)Cc2noc3ccccc23)C1(C)C 75295419 RVUZRPGEQNPANG-MAUKXSAKSA-N 316.401 3.032 0 40 DGAB CC(C)c1nc(C(=O)N2CCCCC2)nn1-c1ccccc1F 89893580 ZCCMEHITOQAOPL-UHFFFAOYSA-N 316.380 3.156 0 40 DGAB C[C@H](NC[C@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnccn1 90708719 WNVDXZJNJBPBAO-XYJFISCASA-N 310.445 3.038 0 40 DGAB Cc1cc(Br)cn(Cc2ccc(Cl)cn2)c1=O 97148475 WWQFHFMZAJNGKG-UHFFFAOYSA-N 313.582 3.016 0 40 DGAB COc1ccc(/C=C/C(=O)NC2CCCCC2)c(OC)c1OC 571655 YYTKRGHNDQNLJY-ZRDIBKRKSA-N 319.401 3.175 0 40 DGAB COc1ccc(CCC(=O)Nc2cc(OC)cc(OC)c2)cc1 5681719 NLZASDRRGUYBIU-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CCOc1ncccc1-c1noc(CN2C[C@@H](C)C[C@@H](C)C2)n1 12234051 OPQUXTUODYMZFD-BETUJISGSA-N 316.405 3.008 0 40 DGAB O=C(Nc1ccc2ccccc2c1)C1CCN(C(=O)C2CC2)CC1 14429141 IOUDOZGKRVXKBG-UHFFFAOYSA-N 322.408 3.427 0 40 DGAB Cc1ccc(C(=O)NCCCN(C)C(=O)c2ccc(C)cc2)cc1 16292001 BXUWSVJELVXAHQ-UHFFFAOYSA-N 324.424 3.196 0 40 DGAB CCn1ncc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c1C 19523945 MGGUYLHHPTYYJR-INIZCTEOSA-N 323.444 3.467 0 40 DGAB COc1ncncc1NC(=O)N1CC[C@H](C)C[C@H]1c1ccco1 162888538 JFRQFSBGEATYFL-AAEUAGOBSA-N 316.361 3.083 0 40 DGAB Cc1cc(C)c2nc3s/c(=C/c4ccccc4)c(=O)n3c2c1 4460141 NWQHWMXFZYTJDR-XNTDXEJSSA-N 306.390 3.074 0 40 DGAB CCCOc1ccc(C(=O)Nc2ncccc2C)cc1OC 9835512 RDLDITVLZWJQCR-UHFFFAOYSA-N 300.358 3.440 0 40 DGAB O=C1OC(c2ccccc2Br)=N/C1=C/c1ccco1 315302 WDPITKQENKPWQG-XYOKQWHBSA-N 318.126 3.387 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2nccc3sccc23)CC1 2087122349 DRXSAYUHIJWLJP-UHFFFAOYSA-N 317.458 3.427 0 40 DGAB COC(=O)CCCC(=O)c1ccccc1OC(F)(F)C(F)F 575361074 PZXNMDDWFGJRTH-UHFFFAOYSA-N 322.254 3.449 0 40 DGAB CCOc1ncccc1CNC(=O)N1c2ccccc2C[C@H]1C 40095125 ISHYPZNEGBYEEP-CYBMUJFWSA-N 311.385 3.141 0 40 DGAB CSc1ccc(CN(C)CC(=O)N(C)Cc2ccco2)cc1 40161525 VINORFKEKRTMCV-UHFFFAOYSA-N 318.442 3.092 0 40 DGAB CSc1ccc(/C=c2/sc3nc4ccccc4n3c2=O)cc1 50538525 ZYVSRPPPBUMAEF-XNTDXEJSSA-N 324.430 3.179 0 40 DGAB Cc1nc2ccccc2c(=O)n1C[C@H](O)c1ccc(Cl)cc1 31560837 XTMQXYGOVCDXDE-INIZCTEOSA-N 314.772 3.092 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2cccs2)n1 40529816 NMIFDYGXYFLODF-LLVKDONJSA-N 307.419 3.455 0 40 DGAB O=C(Nc1cccc(S(=O)(=O)C2CCCC2)c1)c1ccco1 31984636 LPSYZSFLZNGAFF-UHFFFAOYSA-N 319.382 3.248 0 40 DGAB O=C(NC1(C(=O)NC2CCCC2)CCCCC1)c1ccccc1 341030 AJTJQGCCBTXQIF-UHFFFAOYSA-N 314.429 3.178 0 40 DGAB CC(C)CCN(CCC(C)C)C(=O)CSc1nccn1C 41104366 ZMTIOBACHNHXCZ-UHFFFAOYSA-N 311.495 3.433 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)NCc2cccs2)cc1 32902324 VODJLUKPFWYPNI-RMKNXTFCSA-N 300.383 3.036 0 40 DGAB COc1ccc(-c2nnc3n2N=C(C(C)(C)C)CS3)cc1 424482 VVJJNEQAIDIFPP-UHFFFAOYSA-N 302.403 3.310 0 40 DGAB Clc1ccc(CSc2nnc3[nH]cnn23)c(Cl)c1 36460 WRSNFQDYYRDJIV-UHFFFAOYSA-N 300.174 3.052 0 40 DGAB CC(=O)CSc1nnc(-c2ccncc2)n1Cc1ccccc1 1332887 LTNLADVLEUPJMG-UHFFFAOYSA-N 324.409 3.070 0 40 DGAB O=C1C[C@H](C2(c3ccc4c(c3)OCO4)SCCCS2)CO1 2027884 OWUSQWFRFADSFN-NSHDSACASA-N 324.423 3.001 0 40 DGAB COc1c(Cl)cc(Cl)cc1/C=C1/SC(=N)NC1=O 4311121 XPUQRLFZNKYCJV-FPYGCLRLSA-N 303.170 3.141 0 40 DGAB CC(=O)O[C@@H]1c2ccccc2C[C@@]2(OC(C)=O)c3ccccc3[C@H]12 5049058 QILKONMDKUVPBN-VAMGGRTRSA-N 322.360 3.403 0 40 DGAB O=C(CSc1ccccn1)Nc1ccc2c(c1)OC(F)(F)O2 5622296 OXMDVVJPDDSIGW-UHFFFAOYSA-N 324.308 3.134 0 40 DGAB Cc1ccc2nc(SCN3C(=O)c4ccccc4C3=O)[nH]c2c1 6537057 YSPXTLKFUJJGRM-UHFFFAOYSA-N 323.377 3.217 0 40 DGAB CCOC(=O)Nc1ccc(C(=O)Nc2ncc(C)s2)cc1 8327805 QQAZRVMIJYAJDX-UHFFFAOYSA-N 305.359 3.272 0 40 DGAB O=c1cc(CSc2ccc(Cl)cc2)nc2n1CCS2 10382092 REXLJYJJURYYFV-UHFFFAOYSA-N 310.831 3.295 0 40 DGAB CC(C)CC(=O)Nc1nonc1-c1ccc(Br)cc1 11917103 GVGSEIZUHBGMKJ-UHFFFAOYSA-N 324.178 3.484 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc(Cl)cc1F 12540033 LWHQCSJVNSGWPW-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1cc(-c2ccccc2)on1 14229163 PNORFBXFSIHBCY-UHFFFAOYSA-N 304.305 3.138 0 40 DGAB Cc1cc(C(=O)Nc2c(C)cccc2C)c2c(C)nn(C)c2n1 14814541 YUASABRKLGPESK-UHFFFAOYSA-N 308.385 3.454 0 40 DGAB O=C(CNc1ccc(Cl)cc1F)NCc1ccc(F)cc1 15122785 NFUXZOMCDIMKTL-UHFFFAOYSA-N 310.731 3.347 0 40 DGAB Fc1cccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)c1 19293790 VPBJLNQDQNDIIJ-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB Cc1cc(-c2ccccc2)nc(S[C@@H]2CCCCNC2=O)n1 21496821 QBMHYODZMVPSNX-OAHLLOKOSA-N 313.426 3.213 0 40 DGAB CC(C)OC(=O)C[C@H](NC(=O)C1CC1)c1ccccc1Cl 21709213 QNCYJXWNHBPYTJ-AWEZNQCLSA-N 309.793 3.249 0 40 DGAB CN(Cc1ccsc1)C(=O)c1ccc(NC(=O)C2CC2)cc1 21935590 DZMIQLBTMYSXOW-UHFFFAOYSA-N 314.410 3.369 0 40 DGAB O=C(NCc1ccccc1OC(F)(F)F)c1ccccc1O 22191791 IMZOQOWQBVRJGC-UHFFFAOYSA-N 311.259 3.221 0 40 DGAB CC(=O)N[C@H](CC(=O)NCc1ccccc1C)c1ccc(C)cc1 22979815 DLXBIONBAFLNLO-LJQANCHMSA-N 324.424 3.187 0 40 DGAB Cc1ccccc1N[C@@H](C(N)=O)c1ccc(Br)cc1 26895902 XGTJFXCCXBMMNE-CQSZACIVSA-N 319.202 3.396 0 40 DGAB O=C1[C@@H](Cc2ccccc2)NC(=S)N1c1ccc(Cl)cc1 27027232 LLOAJEWGFPKUDH-CQSZACIVSA-N 316.813 3.172 0 40 DGAB Cc1noc(C)c1CSc1nnc(-c2cccs2)n1C 28616942 RVOQTIACSCLQBP-UHFFFAOYSA-N 306.416 3.441 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)no1 31158752 RRABWNWCEHJJGL-QGZVFWFLSA-N 309.369 3.371 0 40 DGAB CN(Cc1ccsc1)C(=O)NCCCOc1ccccc1 32803449 XEXWCKBVEXADCA-UHFFFAOYSA-N 304.415 3.359 0 40 DGAB CSc1nc(Cl)c2c(n1)CN(Cc1ccccc1)CC2 35270017 PDZGYMZCMUSHBP-UHFFFAOYSA-N 305.834 3.410 0 40 DGAB Cc1nc(Sc2nc3ccccc3s2)sc1CC(N)=O 37133047 BZFIKRJBHCQJNE-UHFFFAOYSA-N 321.452 3.240 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NCCCn1cccn1 44968425 WHOZQIIGUJKLCF-AWEZNQCLSA-N 318.446 3.054 0 40 DGAB CC[C@H]1CN(C(=O)N[C@H](c2ccccc2)c2ccco2)CCO1 45153004 UMFJLYLAISDUHL-DOTOQJQBSA-N 314.385 3.189 0 40 DGAB O=C(Cc1ccccc1F)Nc1ccc(-n2cccn2)c(F)c1 47691223 DFKOLBYRIARLBC-UHFFFAOYSA-N 313.307 3.332 0 40 DGAB Cc1ccc(-c2nnc([C@H]3CCN(Cc4ccncc4)C3)o2)cc1 49169947 OJJPXWAGELLUKZ-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB biogenic,in-vitro O=C(Cc1cccc(C(F)(F)F)c1)NCc1cscn1 50406124 UCWSLOWXVPXSAJ-UHFFFAOYSA-N 300.305 3.021 0 40 DGAB Cc1cc(NC(=O)N(C)Cc2ccccc2N2CCCC2)no1 53234835 ZDZLLFSUWXLRFX-UHFFFAOYSA-N 314.389 3.247 0 40 DGAB COc1ccc(CNC(=O)c2sc(C(C)(C)C)nc2C)cn1 58357847 CPCYWOKKXMYAHA-UHFFFAOYSA-N 319.430 3.083 0 40 DGAB CC(C)OCCCNC(=O)CSc1cccc2cccnc12 58406176 PWDZDUVXPKFCHI-UHFFFAOYSA-N 318.442 3.258 0 40 DGAB CCc1cc(CN(C)Cc2cc3c(cc2Cl)OCO3)on1 65370354 UPVRXUSUTSUONM-UHFFFAOYSA-N 308.765 3.251 0 40 DGAB Cc1nc(-c2ccncc2)nc(N(C)CCc2ccncc2)c1C 65551505 AZPAZPQDUFELPH-UHFFFAOYSA-N 319.412 3.229 0 40 DGAB O=C(O)c1nsc2c1N=C(O)C[C@@H]2c1ccc(F)c(F)c1 66091370 JQVMSLKAANKAEC-ZCFIWIBFSA-N 310.281 3.243 0 40 DGAB CN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1sccc1C1CC1 69455669 YHKWPELUJJITLL-CABCVRRESA-N 304.459 3.324 0 40 DGAB Cc1cnn(C[C@@H](C)NCc2csc(-c3ccco3)n2)c1 69459744 HMTYRYFIKXGKDV-GFCCVEGCSA-N 302.403 3.086 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2c[nH]nc2-c2cccs2)c1 69463582 PKSOPHXPQJZRPH-QWHCGFSZSA-N 315.446 3.382 0 40 DGAB CC(=O)c1ccc(OCC(=O)N2[C@@H](C)CCC[C@@H]2C)cc1F 69698299 WHMJMPZSNQICDU-RYUDHWBXSA-N 307.365 3.197 0 40 DGAB Cc1ccccc1OCCCNC(=O)[C@@H]1C[C@H]1c1cccnc1 69809522 FUDMJFKTBQMGPI-DLBZAZTESA-N 310.397 3.079 0 40 DGAB Cc1cccc(CNC(=O)c2cn(-c3cc(C)cc(C)c3)nn2)c1 71765018 ISDGOXNOKCVPDN-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)NCC2CCCCC2)c1 71852296 FBLQBMUJBUBFLU-UHFFFAOYSA-N 303.406 3.025 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C(=O)C[C@@H]2CCCO2)c1 71900186 KBBKYGWZPIPYAF-IBGZPJMESA-N 324.424 3.488 0 40 DGAB CN(Cc1ccsc1)S(=O)(=O)c1cccc2cccnc12 71909263 BWJRBYFQEVETEN-UHFFFAOYSA-N 318.423 3.117 0 40 DGAB CCCc1noc([C@@H](C)Nc2ccc(CNC(=O)OC)cc2)n1 71910255 CBAOEXLCJFWUMS-LLVKDONJSA-N 318.377 3.051 0 40 DGAB Cc1[nH]c2c(C)ccc(C)c2c1CCNC(=O)c1cc(C)n(C)n1 72265338 FLSIRCBFVDBIII-UHFFFAOYSA-N 324.428 3.108 0 40 DGAB CN1CCC(CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 74920975 RLLOIUSCZNAIJX-UHFFFAOYSA-N 314.473 3.200 0 40 DGAB Brc1cnc(N[C@@H]2CCO[C@H]2c2ccccc2)nc1 75092147 LEESQGCAYKTRCM-OLZOCXBDSA-N 320.190 3.181 0 40 DGAB CCOc1ccc(NC(=O)N(C)[C@H]2CCN(CC)[C@@H](C)C2)cc1 75094152 FGXIJVCWNPGSEJ-HOCLYGCPSA-N 319.449 3.422 0 40 DGAB COc1cccc(CN(C)C(=O)c2cc(C(C)(C)C)on2)c1 75147588 ITPIDEYRGOJMQP-UHFFFAOYSA-N 302.374 3.253 0 40 DGAB CC(=O)N1CCCN(C(=O)CCc2ccccc2)c2ccccc21 76041005 CFFWTFKPPJTXCI-UHFFFAOYSA-N 322.408 3.409 0 40 DGAB Cc1nnc([C@@H](C)Nc2cccc(COCCOC(C)C)c2)o1 79030093 DWHZPYRNRVZHET-CYBMUJFWSA-N 319.405 3.493 0 40 DGAB COc1ccnc(N(C)Cc2ccccc2OC(F)(F)F)n1 83865611 KUTCOLTXUZMNFO-UHFFFAOYSA-N 313.279 3.020 0 40 DGAB CO[C@@H]1CCCC[C@@H]1NC(=O)N(CCC(F)(F)F)C1CCC1 84642861 MXIUEUQVKXUMSJ-QWHCGFSZSA-N 322.371 3.461 0 40 DGAB C[C@H](C(=O)N1CC(C)(C)Sc2ccccc21)c1cnn(C)c1 88240853 IFDKPNOKDNHRMZ-LBPRGKRZSA-N 315.442 3.441 0 40 DGAB CN(Cc1cccs1)C[C@H](O)COc1cccc2[nH]ccc12 89363741 RTRMNEUQVSAVEF-ZDUSSCGKSA-N 316.426 3.101 0 40 DGAB C[C@H]1CCC[C@@H](OCC(=O)Nc2cccc(-c3nnco3)c2)C1 89927355 QLIZBPPZKUXFTM-SWLSCSKDSA-N 315.373 3.270 0 40 DGAB C[C@H]1CCCC[C@@H]1N(C)C(=O)CSCc1nc(C2CC2)no1 89927626 HSIOPBZNLIPBPO-AAEUAGOBSA-N 323.462 3.217 0 40 DGAB C[C@H](N[C@@H]1CCO[C@@H]1C)c1ccc(OC2CCOCC2)cc1 90940283 GSMNSNJKZJZXIU-PMUMKWKESA-N 305.418 3.072 0 40 DGAB C[C@@]1(CNC(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)CCCO1 93353282 MHAVXNUGNAXTKU-HNNXBMFYSA-N 324.331 3.191 0 40 DGAB CC[C@@H](N)C(=O)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 95467147 ZQNMRQVXMYYVOA-CQSZACIVSA-N 314.351 3.149 0 40 DGAB C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCOc2ccncc21 95975103 NLQLAHMGPJCHDD-GFCCVEGCSA-N 316.788 3.339 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)Cc2cccc(F)c2)no1 96001161 WRUKWWPDLYRVLU-HNNXBMFYSA-N 317.364 3.204 0 40 DGAB Fc1ccc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)cc1 96048559 XFUMQKSJHUFULB-ZWKOTPCHSA-N 315.392 3.018 0 40 DGAB CCn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1ccoc1)C2 96059931 PEZPUTWSSLBKJT-QGZVFWFLSA-N 315.417 3.022 0 40 DGAB c1cn2c(n1)CN(Cc1ccsc1)C[C@@H](COCC1CC1)C2 96187880 OWYHGNNXTNZTAG-MRXNPFEDSA-N 317.458 3.003 0 40 DGAB COCc1nc(CSc2ncc(-c3ccc(F)cc3)o2)no1 96500019 MJGQRERCJBHHKT-UHFFFAOYSA-N 321.333 3.302 0 40 DGAB Cc1oc(CN(C)C(=O)c2cccc3cc[nH]c23)cc1C(=O)O 97035834 JUTWTSYCENVKLY-UHFFFAOYSA-N 312.325 3.040 0 40 DGAB CC(=O)NCC[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(C)cc21 100741555 ARPMFCUGFIYTNS-KRWDZBQOSA-N 322.408 3.152 0 40 DGAB biogenic COc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1OC 102192151 KUTCBOAMESXHRU-ABHRYQDASA-N 303.402 3.258 0 40 DGAB C[C@H](NC(=O)c1cc(=O)c2ccccc2o1)[C@@H]1C[C@H]2CC[C@H]1C2 102203838 GPRRUXLFACUMBA-ABHRYQDASA-N 311.381 3.348 0 40 DGAB CCOC(=O)C1(C)C[C@H]2C[C@@H](CN(C(=O)C3CCCCC3)C2)C1 103579983 MLMLVVMJBGBBAT-HUUCEWRRSA-N 321.461 3.395 0 40 DGAB CCOc1ccccc1C[C@H](Oc1ccccc1C)C(=O)O 225103714 RORRUTOYWCSDHT-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB CCOc1ccc(C[C@H](Oc2ccc(C)cc2)C(=O)O)cc1 225106643 ODQYCKMBRPIBAX-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB CN(C(=O)C(F)(F)F)c1ccc(NC(=O)c2ccco2)cc1 226285873 WQFMVJKSGJZXSA-UHFFFAOYSA-N 312.247 3.057 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2c2ccc(CN(C)C)cn2)c1 257327095 WZXFVRCNPKVCNO-IBGZPJMESA-N 323.440 3.429 0 40 DGAB O=C(NCc1nccnc1-c1ccoc1)c1ccc(Cl)s1 575620594 PAFHVQUKBWINJN-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@@]2(CNC(C)(C)C(F)(F)F)C1 585117018 PDWPILPVEZQOIU-IINYFYTJSA-N 322.371 3.174 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N[C@@H]1CCC12CCOCC2 585408759 NHVGKOSQNGLTGC-CQSZACIVSA-N 311.784 3.097 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2ccc(F)cc2F)CC1 1004020309 CHBGBVDSNPGMQP-UHFFFAOYSA-N 310.388 3.092 0 40 DGAB Cc1csc([C@@H](NC(=O)Nc2ccc(CO)cc2)C2CC2)n1 1526885512 MNRKDAHSKRYVER-AWEZNQCLSA-N 317.414 3.217 0 40 DGAB CC(C)[C@@H]1N(C(=O)c2conc2C(F)(F)F)CC12CCC2 1556811044 ZJDMMMVAYVGLQG-NSHDSACASA-N 302.296 3.344 0 40 DGAB Cc1ncc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)s1 1888947706 WAPKDUAGJQAYPS-UHFFFAOYSA-N 315.402 3.044 0 40 DGAB O=C(Cc1ccc(Br)cc1)n1nnc2ccccc21 38999 NOGZYOQJLFDION-UHFFFAOYSA-N 316.158 3.077 0 40 DGAB O=C(Nc1ccccc1)NC1(C(F)(F)F)Oc2ccccc2O1 212663 ZLGDXHJGPGTBKV-UHFFFAOYSA-N 324.258 3.496 0 40 DGAB COC(=O)c1cc2c(C)c(C)c3ccccn3c-2c1C(=O)OC 384097 WEBZFFLTBUZLOY-UHFFFAOYSA-N 311.337 3.234 0 40 DGAB Cc1nc(N2CCCC[C@@H]2C(=O)O)c2oc3ccccc3c2n1 527473 YJUCOSVGAORSMJ-GFCCVEGCSA-N 311.341 3.128 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccco1)C[C@H](c1ccccc1Cl)N2 531560 ATXKPAOARXCWDG-NEPJUHHUSA-N 315.764 3.253 0 40 DGAB Cc1ccc(C2=NN(S(C)(=O)=O)[C@H](c3cccs3)C2)cc1 549329 IOUORVYECQCYHG-AWEZNQCLSA-N 320.439 3.167 0 40 DGAB Cc1cc(C)c(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)c1C 565326 RSCKMXNAMUZIJU-FQEVSTJZSA-N 323.392 3.333 0 40 DGAB COc1ccc2oc(=O)c(C(=O)N(C)C3CCCCC3)cc2c1 887155 SYAYSCDCCHZMDE-UHFFFAOYSA-N 315.369 3.206 0 40 DGAB NC(=O)Nc1cccn1-c1ncc(C(F)(F)F)cc1Cl 1388185 XVUFDHOIQYNBQG-UHFFFAOYSA-N 304.659 3.035 0 40 DGAB Nc1c(-c2nc3ccccc3[nH]2)nnn1-c1ccccc1Cl 1430271 VNKZUFPOOHGNKG-UHFFFAOYSA-N 310.748 3.046 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)/C=C/c2ccccc2)c1 1943766 CYOGRPAGFDCDTF-ZHACJKMWSA-N 309.365 3.499 0 40 DGAB Cc1ccc2c(c1)c1ncn(Cc3ccc(F)cc3)c(=O)c1n2C 2200407 DUTLNINVSOPWDM-UHFFFAOYSA-N 321.355 3.384 0 40 DGAB O=c1c2ccccc2sn1-c1ncc(Br)s1 3206021 WEDYSTQAQPZNLC-UHFFFAOYSA-N 313.201 3.271 0 40 DGAB CCc1ccc(CN(C)C(=O)c2ccc3c(c2)OCCO3)cc1 3312088 LIKJYDFAVLKOFJ-UHFFFAOYSA-N 311.381 3.292 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2)c1C 3548113 NALCRXXQYRIDNV-UHFFFAOYSA-N 300.358 3.369 0 40 DGAB COC(=O)c1ccccc1-c1cc(O)cc2sc(=O)oc12 4539859 VOSORELXMRDYSG-UHFFFAOYSA-N 302.307 3.014 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 5002445 BRSNXZRBZYJPKB-UHFFFAOYSA-N 306.321 3.274 0 40 DGAB C[C@H](Sc1nnc(N)s1)c1nnc(-c2ccccc2)o1 5281235 KCFQOPZHMXGBAD-ZETCQYMHSA-N 305.388 3.024 0 40 DGAB O=C(Nc1c[nH]c2ccccc12)N(CCO)Cc1ccccc1 5299783 COCKMFIMDNTEDB-UHFFFAOYSA-N 309.369 3.194 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)Cc3cccc(C)c3)ccc21 5373663 ZEROVHNZFJRTHE-UHFFFAOYSA-N 322.408 3.475 0 40 DGAB CCOC(=O)[C@H](Sc1nnc2ccccn12)c1ccccc1 6114995 DUIJEIKLIBQOOD-CQSZACIVSA-N 313.382 3.126 0 40 DGAB CCc1cccc(NC(=O)CN(C)Cc2ccccc2OC)c1 6603072 ZGBPHIJSPWGOEZ-UHFFFAOYSA-N 312.413 3.328 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)c1ccc(-n2cncn2)cc1 8132432 RIXKUSUOHVZSIN-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=C(NC1=NCCS1)c1cc2c(s1)-c1ccccc1CC2 8344004 PRNURGIKBHZGQT-UHFFFAOYSA-N 314.435 3.346 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)C1CCCCC1 8406327 VUWBKNWJBCLCOS-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)Cc1ccccc1 8777102 OOQAZKOGLYKMKI-GFCCVEGCSA-N 307.440 3.197 0 40 DGAB CC1CCC(NC(=O)/C=C/c2cn(Cc3ccccc3)nn2)CC1 8939089 NJZJTSYFBKOMEX-VAWYXSNFSA-N 324.428 3.035 0 40 DGAB CCNC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 9549878 CMAQHOQTRVSEER-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB C[C@H](NC(=O)CCC1CCCC1)c1nc(-c2ccncc2)n[nH]1 12114828 QQACBPXKUDBRLU-LBPRGKRZSA-N 313.405 3.014 0 40 DGAB CC(C)(C)NC(=O)CCn1c(-c2ccncc2)cc2cccnc21 12219858 SMJHVTXAQYFCTN-UHFFFAOYSA-N 322.412 3.403 0 40 DGAB CCCNC(=O)CSc1nnc(-c2ccc(Cl)s2)o1 12249149 UDLLXVRSDHXKJN-UHFFFAOYSA-N 317.823 3.070 0 40 DGAB O=C(NC1CCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 12321418 ABWHTAZQZLBAPJ-UHFFFAOYSA-N 310.357 3.280 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Nc1ccccc1F)c1ccccc1 12538826 BYPIRTAWJNSWNG-MRXNPFEDSA-N 324.359 3.470 0 40 DGAB Cn1cc(C(=O)NCCc2nc3ccccc3[nH]2)c2ccccc21 12547442 FFFNPSQGZZXBQD-UHFFFAOYSA-N 318.380 3.027 0 40 DGAB COc1ccc([C@H]2CCCN2CC(=O)NCc2ccccc2)cc1 12927117 CLQZEOMZYCWZEJ-LJQANCHMSA-N 324.424 3.149 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](c1ccc(F)cc1)N2 13131377 IPTAKXBCVHXFHW-CABCVRRESA-N 309.348 3.146 0 40 DGAB aggregator Cc1ccc(C(=O)NC(=S)NCc2ccccc2)c(Cl)c1 14257706 YYSJZWLBIKNXBQ-UHFFFAOYSA-N 318.829 3.453 0 40 DGAB CCOc1ccccc1CN(C)S(=O)(=O)c1ccc(F)cc1 14303472 OMXCFQVOVVCYJQ-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB Cc1[nH]c(C(=O)Nc2ccccc2)c(C)c1C(=O)OC(C)C 16503601 RWXDLFPMHFTZRV-UHFFFAOYSA-N 300.358 3.449 0 40 DGAB Cc1cccc(Cn2c(CN3CCOCC3)nc3ccccc32)c1 21785187 ZKCSPUFILGYINZ-UHFFFAOYSA-N 321.424 3.225 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC(c2ccc(O)cc2)CC1 25056272 NCZXCQHSQIWLOU-UHFFFAOYSA-N 321.380 3.288 0 40 DGAB COc1ccccc1CNC(=O)c1ccc(C(F)(F)F)nc1 25897506 NXURDLOIPIMOTA-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)cc3c(F)ccnc32)cc1 31777059 IFDAOSWFQMRLLW-UHFFFAOYSA-N 304.346 3.029 0 40 DGAB CCCC(=O)NCCc1nc(-c2ccc(OC)cc2)cs1 31848752 PMCPCVVEMYMAGX-UHFFFAOYSA-N 304.415 3.278 0 40 DGAB O=C1CCc2cc(C(=O)Nc3cnc4ccccc4c3)ccc2N1 32900711 OQDDSERLOPZLQX-UHFFFAOYSA-N 317.348 3.372 0 40 DGAB C[C@@H](NC(=O)CCc1cccnc1)c1cccc(OC(F)F)c1 32930442 VGEISDWBANAWDF-GFCCVEGCSA-N 320.339 3.493 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCCCO2)C(=O)NC1CCCCC1 33040065 IFKLINUSCMCBGC-ZDUSSCGKSA-N 318.417 3.097 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2ccc(C)cc2)N1 34798742 BEEVAEJHPKFYMA-QZTJIDSGSA-N 320.392 3.253 0 40 DGAB biogenic COc1ccc(OC)c2sc(NCCCn3ccnc3)nc12 34936046 BRORCRRGXAIODS-UHFFFAOYSA-N 318.402 3.012 0 40 DGAB COc1ccc(CNc2cccnc2Cl)c(OC)c1OC 36982600 CIFMKAQRJCIONP-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB CC(C)(C)c1cc(NC(=O)CSc2ccc(O)cc2)on1 37995776 FNWXFKJIVJGMFV-UHFFFAOYSA-N 306.387 3.409 0 40 DGAB CCc1ccc([C@H](NC(=O)NCCOC)c2cccs2)cc1 42842783 URRHEEQCKHPQOC-INIZCTEOSA-N 318.442 3.346 0 40 DGAB COc1ccc([C@@H]2SCC(O)=Nc3c2c(C)nn3C)cc1 44917698 GIAZADIIEUYXAH-AWEZNQCLSA-N 303.387 3.161 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1cccc2c3c([nH]c12)CCCC3 45143426 RHFQNVFTYIKUES-UHFFFAOYSA-N 322.412 3.052 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1C[C@@H](C)OC[C@@H]1C 45448608 NDRLRFSVHOZZJP-VHSXEESVSA-N 322.455 3.429 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)N1CCC(N2CCCCC2)CC1 47335649 DDGDYZNCRFTEKV-UHFFFAOYSA-N 323.387 3.447 0 40 DGAB C[C@@H](NC(=O)c1cccc2ccccc12)c1nnc2ccccn12 48374344 NCNJUAYDOIGAKC-CYBMUJFWSA-N 316.364 3.374 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N(C)C[C@H]3CCCO3)s2)o1 56984532 RFIQMAZNBNTMCS-GFCCVEGCSA-N 320.414 3.271 0 40 DGAB CCCCCCNC(=O)Nc1cccc(N2CCOC2=O)c1 58106159 JXZHPQONJFMMCU-UHFFFAOYSA-N 305.378 3.345 0 40 DGAB Cc1noc(CNc2cccc(NC(=O)OCC(C)C)c2)n1 58160238 UOUQVXUDLXXIDL-UHFFFAOYSA-N 304.350 3.195 0 40 DGAB C[C@@H]1CCc2sc(C(=O)NCCC3CCN(C)CC3)cc2C1 58163744 ZZCVAGLQAQTEII-CYBMUJFWSA-N 320.502 3.335 0 40 DGAB Cc1ccc(/C=C/C(=O)NCC(C)(C)N2CCC[C@H](C)C2)o1 58168959 GGZQLFOEYXHLSG-HBWSCVEGSA-N 304.434 3.228 0 40 DGAB COc1cc(CNC(=O)C[C@H](C)c2ccc(F)cc2)ccc1O 58209826 CLLAZXOSFCEUNJ-LBPRGKRZSA-N 317.360 3.350 0 40 DGAB C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)Cc1cccs1 60354590 BENDWXOZYNFYRG-CYBMUJFWSA-N 302.443 3.104 0 40 DGAB Cc1nc(C)c(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)s1 63957081 XFQPFJGQLVBVNY-UHFFFAOYSA-N 322.434 3.106 0 40 DGAB COc1cc(C)ccc1OCc1csc(-c2cnn(C)c2)n1 65551659 KOUHYWPXAJKSOY-UHFFFAOYSA-N 315.398 3.440 0 40 DGAB C[C@@H]1CN(C(=O)CSCc2cccc3ccccc23)CCO1 65604857 ZNEHAFWMDGJCRD-CQSZACIVSA-N 315.438 3.320 0 40 DGAB CC(C)(C)[C@H](Cc1ccccc1)OC(=O)CCCCNC(N)=O 69379854 VUURRWDLVRAWJR-HNNXBMFYSA-N 320.433 3.026 0 40 DGAB Cc1sc(NC(=O)[C@@H]2C[C@@H]2C)c(C(N)=O)c1-c1ccccc1 71854150 CGPTXGFUHMOBIG-JOYOIKCWSA-N 314.410 3.417 0 40 DGAB O=c1c2oc3ccccc3c2ncn1Cc1noc2c1CCCC2 71888711 YJVJBRWQAFQZNK-UHFFFAOYSA-N 321.336 3.058 0 40 DGAB CC[C@H](C)C(=O)NC[C@@H](NC(=O)OC(C)(C)C)c1ccccc1 72297675 NJSRNBJAQMAVNV-DZGCQCFKSA-N 320.433 3.415 0 40 DGAB COc1cc2c(cc1OC)[C@H]1c3ccccc3NC(=O)N1CC2 72342072 PDOQPXQCXHZZGW-QGZVFWFLSA-N 310.353 3.197 0 40 DGAB O=S(=O)(Nc1cccc(-n2cccc2)c1)c1cccs1 74829591 HZSQANKABZAFSC-UHFFFAOYSA-N 304.396 3.340 0 40 DGAB CC1CCN(C(=O)c2ccc(N(C)Cc3ccco3)nc2)CC1 75610833 RMLWGJCUCZWVAU-UHFFFAOYSA-N 313.401 3.183 0 40 DGAB CC(=O)NCCCS[C@H](C)C(=O)Nc1c(C)cc(C)cc1C 78555800 CAXNUWAXENAWPZ-CQSZACIVSA-N 322.474 3.198 0 40 DGAB CC(C)C[C@H](C(=O)N[C@@H]1CCC[C@H](C)C1)N1CCCCC1=O 79069210 KBWXWNWCMJXFMJ-ARFHVFGLSA-N 308.466 3.109 0 40 DGAB O=C(Cc1ccc2c(c1)OCC2)Nc1cccc2ncccc12 79489008 RSYKFDBYMZUKHR-UHFFFAOYSA-N 304.349 3.351 0 40 DGAB O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)[C@@H]1CCOC1 84569556 JMTHFCOTVSPWLK-CQSZACIVSA-N 323.352 3.107 0 40 DGAB O=C(CCn1cnc2ccccc21)N[C@H]1CCc2cc(F)ccc21 84605667 SYOUKQVEMVRSSW-INIZCTEOSA-N 323.371 3.369 0 40 DGAB C[C@@H](C1CC1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 84636270 UEYCLTKSAGHBRB-NSHDSACASA-N 323.820 3.301 0 40 DGAB CCOc1ccc(-c2nc([C@H]3CCCO3)n[nH]2)cc1OCC 85385188 ORCPGWPSLGSTPX-CYBMUJFWSA-N 303.362 3.121 0 40 DGAB CC(C)[C@H]1OCC[C@@H]1CNC1CCN(C(=O)CC(C)(C)C)CC1 89158235 IWJJNIOJBLHOGB-CRAIPNDOSA-N 324.509 3.064 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(O)cc(F)c2)cc1Cl 89643363 STPUWTVIEYMWDO-UHFFFAOYSA-N 315.753 3.294 0 40 DGAB Cc1ccc([C@@H]2COCCN2C(=O)c2ccc3[nH]ccc3c2)o1 89652826 VVNQPXNQGIJDSY-INIZCTEOSA-N 310.353 3.283 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@@H]1CCCC[C@H]1OCC(F)(F)F 95408588 WPOWWPMCYKUAEK-WCQYABFASA-N 318.339 3.191 0 40 DGAB Cc1ccc(CCC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)o1 95445932 KTDOCLHCUDGTOX-WBVHZDCISA-N 305.418 3.063 0 40 DGAB CC(C)C(=O)Nc1nc(CC(=O)OCC2CCCCC2)cs1 95950132 YQGXVYZIWQMTBT-UHFFFAOYSA-N 324.446 3.404 0 40 DGAB COC1(CNC(=O)Nc2ccc(-c3ncco3)cc2)CCC1 96003087 HYJJWINJJUXQQD-UHFFFAOYSA-N 301.346 3.032 0 40 DGAB COc1ccc(Cl)c(NC(=O)N(CCN(C)C)C(C)C)c1 96005865 DYLBCJNCOPHXMF-UHFFFAOYSA-N 313.829 3.153 0 40 DGAB c1cc([C@H]2C[C@@H]3CCN(CC4CCCCC4)C[C@H]3O2)ncn1 96046142 WTIRXSMGYWFHGR-CGTJXYLNSA-N 301.434 3.209 0 40 DGAB C[C@@H]1CCCN(C(=O)[C@@]2(C)CC(c3ccccc3Cl)=NO2)C1 96192908 AHFDAQIRFYYSBW-SJKOYZFVSA-N 320.820 3.482 0 40 DGAB O=C(NCCn1ccnc1)Nc1cccc(-c2cccs2)c1 96402808 UCYXYRZUYFJMPI-UHFFFAOYSA-N 312.398 3.433 0 40 DGAB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccc(COC)o2)C12CCCC2 96419388 KLUMXOIETLSVJG-CVEARBPZSA-N 321.417 3.236 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)N1CCC(OCC2CC2)CC1 96439358 PMDOIHMCICHLFJ-ZDUSSCGKSA-N 322.474 3.280 0 40 DGAB CCOC(=O)CN(CC(C)C)C(=O)c1coc2ccccc12 97001915 LOYFIRBRJLBIQB-UHFFFAOYSA-N 303.358 3.094 0 40 DGAB COc1ccccc1-c1cc(C(=O)Nc2cccnc2C)[nH]n1 97010781 QJNWHCOZBGREBB-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB CC(C)(C)Oc1c(F)cc(NC(=O)c2cnns2)cc1F 97082948 MIUXSDFIFPNAHX-UHFFFAOYSA-N 313.329 3.246 0 40 DGAB C1=C(c2cccs2)Nc2ncnn2[C@H]1c1ccc2c(c1)OCO2 100835158 NKHJGMJYPLUMHC-GFCCVEGCSA-N 324.365 3.124 0 40 DGAB CC(=O)c1cccc(N/C=C\c2nnnn2-c2ccc(C)cc2)c1 100959265 ZZJKXCREHTVZEE-KHPPLWFESA-N 319.368 3.256 0 40 DGAB Cc1cc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)ccc1N1CCCC1=O 102673964 TWCDVUJAXOAKLB-DZKIICNBSA-N 310.397 3.273 0 40 DGAB CN1CCC[C@H](CNC(=O)c2ccc(-c3ccccc3F)o2)C1 108335627 VJUUAXZWGJPPAC-CYBMUJFWSA-N 316.376 3.157 0 40 DGAB 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@@]2(C)O 118927097 RNPQQCQDRWIESD-MTBGSYBVSA-N 320.473 3.320 0 40 DGAB CCc1nnc(CN2CCC[C@H](c3cc(F)ccc3F)C2)o1 191679966 YJDJDEZGRINZIE-NSHDSACASA-N 307.344 3.290 0 40 DGAB O=C([C@@H]1CCOC1)N(CCC(F)(F)F)Cc1ccccc1 191941208 BWTQZQKEZRHJBS-CYBMUJFWSA-N 301.308 3.004 0 40 DGAB CCc1nc2cc(NC(=O)NCCc3ccccn3)ccc2o1 194163820 QMZOATCPYKXIDO-UHFFFAOYSA-N 310.357 3.149 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1nccs1)[C@@H]1C[C@@H]2C[C@H]1c1ccccc1 222399051 SKUIOZKPGFUHDJ-RMEBNNNOSA-N 324.405 3.072 0 40 DGAB Cc1cc(C)cc(OCC(=O)NCCSC2CCCC2)c1 223679536 VRGSGLYNCCBHDB-UHFFFAOYSA-N 307.459 3.474 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)ccc2C)cc1C 224632722 GEEJJQZCQSOIQD-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@H](C)CC 225490829 DWXSVEDKFUITKJ-ZBFHGGJFSA-N 304.434 3.119 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 257316450 VFQIHCZEKIVMNH-ATZDWAIDSA-N 323.440 3.052 0 40 DGAB CCOc1ccc2ccccc2c1[C@H]1NC[C@@H](C(=O)O)S1 408980815 XWWXQKFSXGYAHM-ZFWWWQNUSA-N 303.383 3.027 0 40 DGAB COc1ccc([C@@H](C)NC(=O)NCc2cccnc2C)cc1F 527635127 ISRBHOPVMVSGQV-GFCCVEGCSA-N 317.364 3.098 0 40 DGAB CCc1cccc(NC(=O)CN[C@@H](C)c2cnn(C(C)C)c2)c1 541645824 NCBBGODQSBYAON-AWEZNQCLSA-N 314.433 3.316 0 40 DGAB c1ccc(-c2c[nH]c(=NCc3cn4ccccc4n3)s2)cc1 547786117 VDPURCUETUXSOD-UHFFFAOYSA-N 306.394 3.492 0 40 DGAB O=C(Nc1ccccc1)N1CCCN(C2CCSCC2)CC1 575609240 ZYURLQWRQBZIBK-UHFFFAOYSA-N 319.474 3.122 0 40 DGAB Cc1nn(C)cc1CN1CC(n2c(C3CC3)nc3ccccc32)C1 1775973264 LFUAELYTWJGEJW-UHFFFAOYSA-N 321.428 3.013 0 40 DGAB Cc1cncnc1N1CCN(Cc2ccc3ccccc3c2)CC1 1849462781 QCGFLJBZNXEZFS-UHFFFAOYSA-N 318.424 3.260 0 40 DGAB CCOC(=O)c1cc(-c2ccccc2OC(F)(F)F)on1 1857793956 CEAUVXGHEFZEPL-UHFFFAOYSA-N 301.220 3.417 0 40 DGAB Cc1cncc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)n1 1889151728 KNTXOVLMIGXJJF-UHFFFAOYSA-N 321.428 3.494 0 40 DGAB CC[C@](C)(NC(=O)Cc1cccs1)C(=O)NC1CCCCC1 246508 GAAWECTWSGDRGG-KRWDZBQOSA-N 322.474 3.024 0 40 DGAB COC(=O)c1cc(C)nn1-c1nc(-c2ccc(F)cc2)cs1 1405112 DBEFYOTUHWUMIZ-UHFFFAOYSA-N 317.345 3.230 0 40 DGAB CC[C@H](C)OC(=O)CNCCO[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C 1838511 HRPHOCGNCCHABP-OIPACUDHSA-N 311.466 3.149 0 40 DGAB CCOC(=O)[C@H]1c2ccc(O)cc2CCN1c1ccc(F)cc1 2527045 PGVDFSLJWHAZSB-QGZVFWFLSA-N 315.344 3.198 0 40 DGAB O=C(COc1ccccc1)OCC(=O)c1ccc(Cl)s1 2637036 VYDNLCYPVCOOGJ-UHFFFAOYSA-N 310.758 3.206 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C(=O)OC)ccc2C)cc1 3556047 JEHOLYCTMXNEFS-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2ccc(OC)c(OC)c2)c1 3565561 ISZJLIODLSFUMH-JXMROGBWSA-N 313.353 3.364 0 40 DGAB c1ccc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)nc1 4325466 PRTVPAWNANTXQZ-CYBMUJFWSA-N 306.369 3.283 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1ccccc1F 4348606 CPHWCRJQYWZDLI-UHFFFAOYSA-N 316.313 3.416 0 40 DGAB O=C(O)[C@H]1CS[C@H](c2ccccc2)N1C(=O)c1ccccc1 4407283 SURFXRHLXJAOSD-GDBMZVCRSA-N 313.378 3.028 0 40 DGAB O=C(CCc1ccccc1)Nc1cc2c3c(c1)CC(=O)N3CCC2 5153617 WPRKKIOHABMMBE-UHFFFAOYSA-N 320.392 3.093 0 40 DGAB Cc1cc(C)nc(Nc2ccc(OC(=O)c3cccnc3)cc2)n1 5183742 VICVGEHDYDQNDC-UHFFFAOYSA-N 320.352 3.451 0 40 DGAB COC(=O)c1cc(COC(=O)c2c[nH]c3ccccc23)oc1C 7508337 FCHOCGPZCNJVIR-UHFFFAOYSA-N 313.309 3.213 0 40 DGAB C[C@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294415 PMPVIXJBTZJTRG-WPRPVWTQSA-N 315.200 3.046 0 40 DGAB C[C@H](Sc1nncn1C1CC1)C(=O)Nc1cccc(Cl)c1 8749291 STFAYPSHTGRQKK-VIFPVBQESA-N 322.821 3.386 0 40 DGAB COc1ccccc1CCNC(=O)c1cc2nc(C)ccc2o1 8798584 PXVJHPCOIHMAKK-UHFFFAOYSA-N 310.353 3.117 0 40 DGAB C1=C(c2ccccc2)CCN(Cn2nnc(-c3cccs3)n2)C1 8937583 ZXIRTXRICSREOI-UHFFFAOYSA-N 323.425 3.148 0 40 DGAB CC(C)CNC(=O)CS[C@H]1CCc2ccccc2N=C1O 12322990 BEAMTBIDVOVKJL-AWEZNQCLSA-N 306.431 3.095 0 40 DGAB CCC(=O)N1N=C(c2ccco2)C[C@H]1c1ccc2nccnc2c1 12323420 SQZCQOLEMKWIBA-INIZCTEOSA-N 320.352 3.311 0 40 DGAB c1ccc(Nc2cccc(Nc3ccc4nnnn4n3)c2)cc1 12527399 XEBKFHQOGIJJLX-UHFFFAOYSA-N 303.329 3.007 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)CCC3)cs1)c1cnccn1 12926185 XGMMOMNGBAYGPX-UHFFFAOYSA-N 322.393 3.341 0 40 DGAB c1ccc(-c2csc3ncnc(NN4CCOCC4)c23)cc1 13070262 ORFHDJKYYDHDSE-UHFFFAOYSA-N 312.398 3.017 0 40 DGAB COc1cc(/C=C(\C#N)C(=O)N2CCCC2)ccc1OC(C)C 16438121 ZZOBZKZBEINKAM-XNTDXEJSSA-N 314.385 3.012 0 40 DGAB Cc1ccccc1-c1nn2c(-c3n[nH]c4c3CCC4)nnc2s1 19827562 HUGQZXOUNQBCMD-UHFFFAOYSA-N 322.397 3.040 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)/C=C/c1ccco1 20145227 VOMCZMBXQXOCGZ-SNAWJCMRSA-N 321.716 3.292 0 40 DGAB Cc1ccc(OCC(=O)OCc2cc(-c3ccco3)on2)cc1 22768971 QCMWVWHAUIRXTL-UHFFFAOYSA-N 313.309 3.365 0 40 DGAB COc1ccccc1CCNC(=O)c1cc(Cl)c(Cl)[nH]1 23691905 LGBUTBICWDYLCK-UHFFFAOYSA-N 313.184 3.303 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NCCc1cccnc1 23874744 DMOFCEJYDSCSES-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB COc1ccc2nc(C)c(C(=O)NOCc3ccccc3)cc2c1 25038991 WBYDTBVVOBCXPP-UHFFFAOYSA-N 322.364 3.413 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@@H]2CCCO2)c(C)n1Cc1ccco1 27868388 AIMVIIRULDPTGG-DYVFJYSZSA-N 316.401 3.044 0 40 DGAB O=C(Nc1nccs1)c1ccc(N2CCCCCC2)nc1 29753789 YYDVWQFUTGAHBE-UHFFFAOYSA-N 302.403 3.171 0 40 DGAB O=C(Nc1cccc(Cl)c1F)c1cn(-c2ccccc2)nn1 31879202 TVZCGUJENGBQHI-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB Cc1nn(C)c2c(Nc3ccc(OC(F)(F)F)cc3)ncnc12 32650200 CQVDGDQFDNHDHL-UHFFFAOYSA-N 323.278 3.314 0 40 DGAB CCOC(=O)c1sc(Nc2cccc(NC(C)=O)c2)nc1C 32808915 ZZYKIUCRCBSDDM-UHFFFAOYSA-N 319.386 3.330 0 40 DGAB Cc1nc(OCC(=O)Nc2ccccc2F)c2ccccc2n1 33141665 PHVULBDRTKSCLJ-UHFFFAOYSA-N 311.316 3.095 0 40 DGAB NC(=O)c1ccc(NCc2ccc(Br)cc2F)cc1 36668561 GVXTXMYDHRRJFV-UHFFFAOYSA-N 323.165 3.299 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c(F)c1 40526208 IEOWTSTUJIXEIS-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)Cc1c[nH]c2ccccc12 40541061 BOHYDJPQIGYGEW-UHFFFAOYSA-N 323.396 3.209 0 40 DGAB CCOC(=O)NCCC(=O)Nc1ccc(SC(F)F)cc1 40541479 AZYCOKWIKJXJHT-UHFFFAOYSA-N 318.345 3.076 0 40 DGAB COc1ccccc1C(=O)NCCn1ccc2c(OC)cccc21 40819836 PUVLSXVDWIMUSA-UHFFFAOYSA-N 324.380 3.089 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnco2)c1 44087329 GCMWCKGOGMTXPW-BXUZGUMPSA-N 300.362 3.437 0 40 DGAB Cc1noc(CCCC(=O)N(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)n1 44939475 CHOSXWRTUCZPCL-SMDDNHRTSA-N 317.389 3.076 0 40 DGAB O=S(=O)(c1cccnc1)N(Cc1ccccc1Cl)C1CC1 46053250 LKOZGQCVHCQBEK-UHFFFAOYSA-N 322.817 3.088 0 40 DGAB CC(C)N1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 49170246 OPUBXCPVBJLEEU-AWEZNQCLSA-N 300.406 3.000 0 40 DGAB biogenic,in-vitro Cn1ncc2c1N=C(O)C[C@@H]2c1cc(Cl)cc2c1OCOC2 49546884 LUCGGSRHYDKFML-SNVBAGLBSA-N 319.748 3.064 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 54538798 CMBSKGOAHSGABX-LSDHHAIUSA-N 314.433 3.024 0 40 DGAB CC(C)CNC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 55052044 MRODQVTWDJMXQO-ZHACJKMWSA-N 323.396 3.119 0 40 DGAB COC[C@@H](C)NC(=O)CSCc1c(Cl)cccc1Cl 57684143 TWGSRKVFMIXVLK-SECBINFHSA-N 322.257 3.378 0 40 DGAB CCCc1noc(CCCC(=O)Nc2cc(C(C)(C)C)n[nH]2)n1 58157099 WHTZGDSXKUNHMH-UHFFFAOYSA-N 319.409 3.004 0 40 DGAB O=C(OC/C=C/c1ccccc1)[C@@H]1CC(=O)N(c2ccccc2)C1 58358130 CTYDCEQYKMPMAC-PYUISTEWSA-N 321.376 3.296 0 40 DGAB O[C@@H](COCc1ccco1)CN1CCC[C@H]1c1ccsc1 58581576 UTTNBJQVAXNPCC-ZBFHGGJFSA-N 307.415 3.056 0 40 DGAB CN(Cc1ccccn1)S(=O)(=O)/C=C/c1ccccc1Cl 66912121 OSTZGFMVLVBVCZ-PKNBQFBNSA-N 322.817 3.168 0 40 DGAB O=C(N[C@H]1C[C@H]1c1ccccc1)N1CCc2ccc(O)cc2C1 67617547 JFPNXFBRQCAICQ-ROUUACIJSA-N 308.381 3.016 0 40 DGAB O=Cc1cc(I)cc(C(F)(F)F)c1 71624110 RSMQAIQRWGFACA-UHFFFAOYSA-N 300.017 3.123 0 40 DGAB Cc1noc([C@@H](C)[S@@](=O)Cc2ccc(F)cc2Cl)n1 71888551 DAVHKSKFLMQWIY-QOLSBQFWSA-N 302.758 3.180 0 40 DGAB CC[C@@H]1C[C@H]1NC(=O)c1cccnc1SCc1cc(C)on1 71908211 TVMJEJDAKVXRSH-BXUZGUMPSA-N 317.414 3.199 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H]2c2cc(C)ccn2)cc1 72211196 AQEIBTGLWKWPQO-KRWDZBQOSA-N 316.426 3.224 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccccc3Cl)CC2)cn1 72331371 BRGLCPPYTNYYQV-UHFFFAOYSA-N 315.804 3.006 0 40 DGAB O=C(Nc1ccccc1F)N(CCO)[C@@H]1CCc2ccccc21 75612882 CFYIQEQIEBPTHL-QGZVFWFLSA-N 314.360 3.339 0 40 DGAB C[C@H]1CCC[C@H](C)C1NC(=O)c1cc2c([nH]c1=O)CCCCC2 78058432 MGKFHOGDJYQGAA-STQMWFEESA-N 316.445 3.198 0 40 DGAB Cn1ncc(N2CC[C@H]2c2ccc(Cl)cc2)c(Cl)c1=O 78462347 NSJWBUWZVLSODS-NSHDSACASA-N 310.184 3.039 0 40 DGAB CN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)cc2[nH]cnc12 80331088 CZTOQJJBYLYURN-UHFFFAOYSA-N 319.286 3.252 0 40 DGAB CC(C)(C)c1cc(C(=O)NCC(C)(C)[C@H]2CCCCO2)no1 84241176 IXTRAMFXDBGLJZ-CYBMUJFWSA-N 308.422 3.297 0 40 DGAB OC[C@H](Cc1c[nH]c2ccccc12)Nc1ncnc2sccc12 84590546 RRDLEHFIKPWJAZ-LBPRGKRZSA-N 324.409 3.188 0 40 DGAB O=C(NCCC12CC3CC(CC(C3)C1)C2)Nc1nncs1 84618683 QGRBDXLSMHXWIC-UHFFFAOYSA-N 306.435 3.266 0 40 DGAB O=C(Cc1ccon1)N(CC(F)F)c1cccc(Cl)c1 84806383 DFACWWWPPDQXSX-UHFFFAOYSA-N 300.692 3.169 0 40 DGAB Cc1ccc(NC(=O)NCCC2=CCCC2)cc1S(C)(=O)=O 89306087 BRHQTFPJMDINOH-UHFFFAOYSA-N 322.430 3.020 0 40 DGAB Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)c2ccccc2n1 89583158 QPKVIKYGULQWMM-MRXNPFEDSA-N 313.445 3.312 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccncc3Cl)CC2)s1 89656254 DSSKRYUUFHWKRY-UHFFFAOYSA-N 321.833 3.067 0 40 DGAB C[C@H](N[C@H](C)c1ccc(S(C)(=O)=O)c(F)c1)c1ccco1 89904725 UDPPVIJMRGHBTF-MNOVXSKESA-N 311.378 3.234 0 40 DGAB COc1cc(-c2noc([C@H](C)Sc3ccccn3)n2)ccn1 89913689 SVKDSWHEKXZHJO-JTQLQIEISA-N 314.370 3.389 0 40 DGAB Fc1cc(F)cc(CN2CCC(OC[C@@H]3CCCO3)CC2)c1 92661241 FAFGKZSENBDJOI-KRWDZBQOSA-N 311.372 3.125 0 40 DGAB COc1ccccc1NC(=O)c1cccc(Nc2cnccn2)c1 95960627 VNMBOQLDDDVRBO-UHFFFAOYSA-N 320.352 3.481 0 40 DGAB O=C(c1cc2cc(F)ccc2s1)N1CCc2ncncc2C1 96122788 RCOCEKPBJRCULS-UHFFFAOYSA-N 313.357 3.029 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1cc(F)cc(N2CCCC2)c1 96434430 QKGFJQIOFQYOAL-HNNXBMFYSA-N 321.396 3.069 0 40 DGAB Cc1cc(Oc2ccc(NC(=O)c3ccncc3F)cc2)n[nH]1 96481596 ZWCKQRQIGHLUJV-UHFFFAOYSA-N 312.304 3.297 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCCCN1C(=O)Cc1cccnc1 97233757 KZPHUXZCAKIQGF-INIZCTEOSA-N 312.417 3.108 0 40 DGAB CC[C@@H](C(=O)N1CCC(n2cccn2)CC1)c1ccc(F)cc1 97377791 OSLFPCLTVDWWOW-QGZVFWFLSA-N 315.392 3.380 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1 106061274 VSNDNHWWVBFCBL-HZSPNIEDSA-N 307.438 3.457 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccco1)N1CCCN(Cc2ccccc2)CC1 106832792 VNEOFUMXQMVJTB-QZTJIDSGSA-N 324.424 3.118 0 40 DGAB COCc1csc(NC(=O)Nc2c(C)noc2C2CC2)n1 122122839 QVYCEHOHJVRDPW-UHFFFAOYSA-N 308.363 3.107 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 153837316 SPFCJUDIGXHEJN-MRXNPFEDSA-N 302.462 3.368 0 40 DGAB Cc1ccc(S(=O)(=O)Cc2ncc(Cl)cc2Cl)nc1 163416596 XYJJVWPKWHJDOO-UHFFFAOYSA-N 317.197 3.066 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 192366501 LXTBTXBKUHWOBS-WDEREUQCSA-N 323.355 3.346 0 40 DGAB C[C@H](N)[C@@H]1CCCN(C(=O)c2cccc(C(F)(F)F)c2F)C1 195536813 TXKJOAZUDIPSSL-VHSXEESVSA-N 318.314 3.044 0 40 DGAB C[C@@H](Cc1ccoc1)NC(=O)c1ccccc1Br 206662766 QHZKJUPWMMIXFF-JTQLQIEISA-N 308.175 3.403 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)n1C 222867085 LTUKRWJUVLSLCC-HZPDHXFCSA-N 314.458 3.111 0 40 DGAB Cc1ccccc1O[C@H](C)C(=O)NCCOc1ccc(F)cc1 224415282 UNHULPJMBFMAPJ-CQSZACIVSA-N 317.360 3.097 0 40 DGAB CCc1ccccc1N(CC)S(=O)(=O)c1ccc(OC)cc1 224849369 OTZVGCRFOBVWGL-UHFFFAOYSA-N 319.426 3.473 0 40 DGAB O=C(c1ncccc1Br)N1CCCC12CCCC2 225428120 ZUKDZIHJMNLAPZ-UHFFFAOYSA-N 309.207 3.393 0 40 DGAB CCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)c(C)n1 225890843 MPDJQTHYGVRECJ-UHFFFAOYSA-N 306.406 3.323 0 40 DGAB COc1ccnc(CN[C@@H](c2ccccc2)c2nccs2)c1 253427056 VLJQUJJZSQZYKG-INIZCTEOSA-N 311.410 3.426 0 40 DGAB O=C(Cc1ccccc1F)N1CCC(Cc2ccncc2)CC1 257201907 AJPAPVPMXSSWTE-UHFFFAOYSA-N 312.388 3.245 0 40 DGAB C[C@]12CCCN(C(=O)c3nccc4ccccc34)[C@H]1CCCCN2 257248352 JDHDYHFHTYOFFR-PXNSSMCTSA-N 323.440 3.372 0 40 DGAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(C4CCOCC4)C[C@@H]32)nc1 257282379 OTNXTIRYXTZOQX-MBOZVWFJSA-N 314.473 3.460 0 40 DGAB CNc1nc([C@H]2CCCCN2C(=O)C(C)(C)C)cn2cccc12 257309551 UBJOCQDCQJZGKL-CQSZACIVSA-N 314.433 3.476 0 40 DGAB Cc1cccnc1C(=O)N1C[C@H]2[C@@H](Oc3ccccc3)CC[C@H]2C1 257313965 UUWGTUFZYMFJII-JQHSSLGASA-N 322.408 3.320 0 40 DGAB CCOC(=O)C1CCC2(CC1)CCN(C(=O)OC(C)(C)C)C2 261508508 UBSBRZXAXWQMHE-UHFFFAOYSA-N 311.422 3.367 0 40 DGAB c1csc(CN2C[C@@H]3Cn4c(-c5ccncc5)cnc4[C@H]3C2)c1 306134016 NBTXCAPYJYBIDC-ZBFHGGJFSA-N 322.437 3.236 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1ccc(-c2ccoc2)cc1 390832349 YVQOHMBGCLEFJB-UHFFFAOYSA-N 310.353 3.410 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1cc(F)ccc1C 408707220 LMFJPLDANKRUQY-CYBMUJFWSA-N 308.397 3.405 0 40 DGAB Cc1ccccc1C[C@@H](C)NC(=O)NC[C@@H]1COc2ccccc21 568926395 XQKBDWKRWSPEKQ-NVXWUHKLSA-N 324.424 3.401 0 40 DGAB CC(=O)N[C@@H]1CCN(C(=O)Nc2ccc(CCC(C)C)cc2)C1 574187316 DTXNSTOWVYFPLX-QGZVFWFLSA-N 317.433 3.018 0 40 DGAB CCc1ncc(C(=O)NCc2ccnc(C(F)(F)F)c2)s1 580157375 DAAXGOVQNISKDF-UHFFFAOYSA-N 315.320 3.049 0 40 DGAB C[C@@H]1C[C@H](C(=O)N2CCC[C@H](n3ccnn3)CC2)CC(C)(C)C1 585131263 QHGHHWMCNZAFHP-PMPSAXMXSA-N 318.465 3.294 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)c1 260515 FSPUSFZXAIPEJO-OAHLLOKOSA-N 304.390 3.191 0 40 DGAB Cc1ccc(CSc2nnc(-c3ccco3)n2N)cc1C 529702 QKKDCRCCALEFAJ-UHFFFAOYSA-N 300.387 3.161 0 40 DGAB c1cncc(O[C@H]2CCN(Cc3nc4ccccc4s3)C2)c1 79111185 PECGIQCDRDUYLW-AWEZNQCLSA-N 311.410 3.345 0 40 DGAB COc1ccc(C(=O)[C@H]2SC(N)=N[C@@H]2c2ccccc2)cc1 3019697 ZCHDLPRNEZDIPX-ZBFHGGJFSA-N 312.394 3.049 0 40 DGAB Cc1cc(C)c(C(=O)CCCC(=O)NC[C@@H]2CCCO2)c(C)c1 47301858 FIUSCFDFPQHQNX-INIZCTEOSA-N 317.429 3.260 0 40 DGAB CC[C@](C)(NCc1nc(-c2ccco2)no1)c1nccs1 72683549 XIGNQIYXKXETGK-AWEZNQCLSA-N 304.375 3.201 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](O)c3ccccc32)cc1 4962413 UUQNDKFZKZJVTF-KRWDZBQOSA-N 317.410 3.018 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3O2)cc(Cl)c1OC 4997996 LCIFTEQZBNNLAY-INIZCTEOSA-N 319.744 3.178 0 40 DGAB C[C@H]1CN(C(=O)C(C)(C)Oc2ccc(Cl)cc2)C[C@H](C)O1 6472140 DKONQWULBIYMPP-RYUDHWBXSA-N 311.809 3.133 0 40 DGAB CCc1cccc(NC(=O)c2ccc(CN3CCOCC3)cc2)c1 23675248 CVVCMPYGVADRCH-UHFFFAOYSA-N 324.424 3.334 0 40 DGAB COc1ccc2oc(=O)c(C(=O)N(C)c3ccccc3)cc2c1 54097009 QEWKMPRDSXTGFE-UHFFFAOYSA-N 309.321 3.078 0 40 DGAB COc1ccc(-c2cc3ccc(OCC(C)=O)cc3oc2=O)cc1 1317639 YWTDNJNDYLWQTB-UHFFFAOYSA-N 324.332 3.436 0 40 DGAB biogenic Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc(C)c1C 12533551 AUKAPCXEYQQCON-UEKVPHQBSA-N 321.490 3.435 0 40 DGAB O=C(c1ccc(NC2CC2)nc1)N1CCC[C@@H]1c1ccccn1 57265552 CQTRHCBFDPYIHB-MRXNPFEDSA-N 308.385 3.028 0 40 DGAB Cc1cccnc1[C@@H](NC(=O)CCOCC(F)(F)F)C(C)C 71908539 VXQLVMFXJRMTKT-ZDUSSCGKSA-N 318.339 3.172 0 40 DGAB COc1ccccc1NC(=O)CN[C@H](C)c1cccc(F)c1 57456788 QRZVOCKHHHKHNU-GFCCVEGCSA-N 302.349 3.124 0 40 DGAB C[C@H](O)C[C@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 100037009 ZUJMMGHIYSAEOU-SWLSCSKDSA-N 310.349 3.401 0 40 DGAB in-vivo O=C(O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1cccc2cc[nH]c12 110623957 WZBQFYLEFMDEFY-SNPRPXQTSA-N 312.369 3.026 0 40 DGAB COc1ccc(CNC(=O)CCc2cccs2)cc1OC 12699273 FTBZBCXDFUCMDG-UHFFFAOYSA-N 305.399 3.014 0 40 DGAB CN(C(=O)Cc1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 48117372 CUORUVCPZBPATC-UHFFFAOYSA-N 323.396 3.176 0 40 DGAB c1ccc2oc(CCCN3CCC(c4cc[nH]n4)CC3)nc2c1 58208452 ZHWHLDYNVVZAQA-UHFFFAOYSA-N 310.401 3.363 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1cccc(O)c1 100140942 SFARDGHPXZAXQZ-RHSMWYFYSA-N 320.396 3.005 0 40 DGAB Cc1cc(C(=O)N2CCCC2)c2c(C)nn(C(C)(C)C)c2n1 44966040 CJVRPZBPOMLGBV-UHFFFAOYSA-N 300.406 3.039 0 40 DGAB CC(=O)Nc1cc(=O)n2c(-c3ccc(Cl)cc3)csc2n1 27300366 AYPNCTBPZZQTBY-UHFFFAOYSA-N 319.773 3.035 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(Cn2cccn2)cc1 58426933 MRXATEXQOSWOQE-LBPRGKRZSA-N 324.384 3.278 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccccc1N1CCCC1=O 12748571 PUUMZMRLVQXURZ-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@@H]1CCCN(Cc2cccc(F)c2)C1 48309532 HATJZHBAHYJBGH-DOTOQJQBSA-N 318.436 3.439 0 40 DGAB Cc1ccc(C(=O)NCCCc2nc3ccccc3s2)cn1 37143029 AFSIDAPZLHEINC-UHFFFAOYSA-N 311.410 3.362 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccc(Cl)cc1 3450971 FHRDFFMFLVAWHF-SMDDNHRTSA-N 309.793 3.192 0 40 DGAB COc1cccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)c1 12997468 STDZBTIDPZSAFA-LJQANCHMSA-N 324.424 3.147 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cccc2ncccc12 71899986 SMGCPIJCUXUQBM-LLVKDONJSA-N 308.385 3.076 0 40 DGAB Cc1cnc(C(=O)Nc2ccc(N3CCCCCC3)cc2)cn1 65565508 KNERDERIERSORX-UHFFFAOYSA-N 310.401 3.418 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(F)cc1 6539743 OJDHEWJNHWEDPT-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc(C(=O)O)c(Cl)c1 4679686 HOOYTBCURLGTKY-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Nc1cccc(Nc2ncnc3c2cnn3-c2ccccc2)c1 6660958 JHLUKDLYVRRZGB-UHFFFAOYSA-N 302.341 3.141 0 40 DGAB O=C(CSCc1ccccn1)Nc1cc(Cl)ccc1O 67139166 JNQYVEHIIWWOOW-UHFFFAOYSA-N 308.790 3.313 0 40 DGAB COc1cccc(N2Cc3cc(Cl)ccc3OCC2=O)c1 67323744 FQUQJTGJEKLRQI-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB CSc1ccc(CN(C)[C@@H](C)C(=O)NC2CCCC2)cc1 7266935 CDBQQLNYMYLGQM-ZDUSSCGKSA-N 306.475 3.288 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc2[nH]c(C)c(C)c2c1 68156211 CPZHEOREENCKDZ-GFCCVEGCSA-N 310.401 3.318 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc21 7778329 TZELDJGCQJKQCI-UHFFFAOYSA-N 306.369 3.192 0 40 DGAB OCc1nc2ccccc2n1Cc1coc(-c2cccs2)n1 68938748 YZRKGIUPFJWDDX-UHFFFAOYSA-N 311.366 3.293 0 40 DGAB COc1ccc([C@@H]2C[C@@H]2C(=O)N(Cc2cccnc2)C2CC2)cc1 69375853 KGMPNMWHRPVIMD-OALUTQOASA-N 322.408 3.385 0 40 DGAB CC(C)[C@H](NC(=O)c1cc2c(s1)CCCCCC2)C(=O)O 9550261 XMMOZBATOLDMPO-AWEZNQCLSA-N 309.431 3.246 0 40 DGAB CSCc1cc(NC2CCN(C(N)=O)CC2)ccc1Cl 92139476 AKHNYCQKNTYSMD-UHFFFAOYSA-N 313.854 3.158 0 40 DGAB CCc1cc2c(N3CCC[C@@H](c4ccn[nH]4)C3)ncnc2s1 83820529 VLHZBWRNMAIUHD-LLVKDONJSA-N 313.430 3.361 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(Cl)o1 84736346 FKDNWEDGDOKBFT-TZMCWYRMSA-N 312.841 3.306 0 40 DGAB CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(C)nc1 72288098 ILWOLCTZQPDELT-UHFFFAOYSA-N 312.369 3.233 0 40 DGAB O=C(N[C@H]1CCc2[nH]ncc2C1)N(CC1CC1)C1CCCCC1 95425183 OGTHDEDRQJISCL-HNNXBMFYSA-N 316.449 3.021 0 40 DGAB CC[C@H](C)Oc1cc(C(=O)N(C(C)C)C2CCOCC2)ccn1 95991112 GVKRSOOEFYXSRA-AWEZNQCLSA-N 320.433 3.289 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccccc3Cl)C2=O)c1 95949675 GZQNBKOXSMMHFD-AWEZNQCLSA-N 314.772 3.392 0 40 DGAB COc1cc(C(=O)N[C@@H](C)CC(=O)c2cccs2)ccc1F 95979593 YKNWOHCEXABJHD-JTQLQIEISA-N 321.373 3.287 0 40 DGAB COC(=O)[C@@H]1CCCC[C@@H]1NCc1cc(Cl)ccc1OC 95941290 KNWOZMKRXGWWER-KGLIPLIRSA-N 311.809 3.170 0 40 DGAB O=C(CCn1ccc2ccccc21)Nc1ccc2c(c1)COC2=O 85876557 SLUHVEREJIKMAZ-UHFFFAOYSA-N 320.348 3.341 0 40 DGAB biogenic O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccccn1 75134360 KPUYOIJNDFCWJE-CYBMUJFWSA-N 316.332 3.031 0 40 DGAB CCN1CCC[C@@H]1CN(C)Cc1coc(-c2ccc(F)cc2)n1 89977215 PXDWYCSTCDTLFA-QGZVFWFLSA-N 317.408 3.397 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@H]1C=CCC1 75602208 MJIBLPVMLMSKKJ-QWHCGFSZSA-N 307.825 3.402 0 40 DGAB C[C@H](C(=O)N1CCCC[C@@H]1c1nccs1)N1CCCCCC1 76042856 WPTAYNUWBKOJFH-HUUCEWRRSA-N 321.490 3.461 0 40 DGAB Cc1cc2cccc(C)c2nc1SCCN1CCOCC1 20151151 LVAJSONQSDQBET-UHFFFAOYSA-N 302.443 3.276 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2cccc(COC)c2)cc1 26547287 VLCLTRXXPSZGIT-UHFFFAOYSA-N 321.398 3.033 0 40 DGAB Cc1ccc(OC(F)F)c(CNC(=O)NCc2ccoc2)c1 176506563 FXORSZYZBNIJMD-UHFFFAOYSA-N 310.300 3.189 0 40 DGAB CC[C@H](Oc1ccccc1Cl)C(=O)NCc1cccnc1 20104223 NEEJTBDDLHIFLK-AWEZNQCLSA-N 304.777 3.209 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)N[C@H](C)C(C)C)CC1 60322503 QHDVLCQPBLLMGY-MRXNPFEDSA-N 302.462 3.368 0 40 DGAB COc1ccc([C@@H]2CC(=O)c3c(O)cc(C)cc3O2)cc1O 4348890 LGLTYGYWJYRBBO-HNNXBMFYSA-N 300.310 3.121 0 40 DGAB biogenic CCn1cnn(CN(C)C2C3CC4CC(C3)CC2C4)c1=S 32923234 QXRDFTRYZKNFPD-UHFFFAOYSA-N 306.479 3.148 0 40 DGAB Cc1ccn2c(=O)c(C(=O)Nc3cccc(C(C)C)c3)cnc2c1 36393092 SAJRXWFDRUDMAU-UHFFFAOYSA-N 321.380 3.379 0 40 DGAB COc1cccc(-c2nnc(-c3cnc(C4CC4)nc3C)o2)c1 216611543 UUCGLHSLSRHZFO-UHFFFAOYSA-N 308.341 3.388 0 40 DGAB Cc1ncc(-c2nc(Cc3ccc(Cl)cc3)no2)c(C)n1 182793186 RKGWIPMRGQSQNU-UHFFFAOYSA-N 300.749 3.388 0 40 DGAB C[C@@H]1CN(Cc2c(C(F)(F)F)[nH]c3ncccc23)C[C@@H](C)O1 72393708 DAFJWPXEWQBGKD-NXEZZACHSA-N 313.323 3.191 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccccc2C)cc1 224268707 AFNXCDOGCOOHQH-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCOc1ccc(NC(=O)[C@@]2(OCC)CCC[C@@H](C)C2)cn1 225899869 CMFFMXNQPYTPRA-CXAGYDPISA-N 306.406 3.404 0 40 DGAB CCOC(=O)c1ccc(NC(=S)NCc2ccco2)c(C)c1 225317933 GAPLWCHMDGFOKO-UHFFFAOYSA-N 318.398 3.251 0 40 DGAB Cc1ccc(C(=O)c2ccccc2CN2CCOCC2)cc1C 43211457 KDPRLHNXTJSOEP-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CCOc1ccc(NC(=O)c2ccc(OC)c(COC)c2)cc1 224398588 NXOSXYUQWYZFLS-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2cc1C 20358061 OQIVGHKRWFUAMN-ZIAGYGMSSA-N 301.386 3.019 0 40 DGAB biogenic CCCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCC 223559615 GJEYFYYOHRVBNI-MRXNPFEDSA-N 318.461 3.163 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 224600387 ICHMLGRFWRSRGJ-HUUCEWRRSA-N 313.397 3.382 0 40 DGAB CCC(CC)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 223662327 PBIKTCRJGSPCJM-UHFFFAOYSA-N 311.447 3.041 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)CCc1ccc(C(=O)O)cc1 225458376 JMZKASWTEDNKEZ-GFCCVEGCSA-N 317.410 3.126 0 40 DGAB CCOc1ccc(CCCNC(=S)Nc2cccnc2)cc1 225623623 GCRSSPGZWOALGI-UHFFFAOYSA-N 315.442 3.400 0 40 DGAB CCOC(=O)C1(C(=O)OCC)C[Si](C)(C)CC[C@@H]1CC 195760956 QJTYPBUTYFARKB-LBPRGKRZSA-N 300.471 3.237 0 40 DGAB Cc1ccccc1[C@@H]1CCN(c2nc(C(=O)O)c(C)s2)C1 578239686 PBABTNHVGGZHTB-GFCCVEGCSA-N 302.399 3.452 0 40 DGAB c1ccc(-c2ccc(CN3CCC(n4cncn4)CC3)o2)cc1 92647534 UMKCNXZBEGQXHG-UHFFFAOYSA-N 308.385 3.375 0 40 DGAB CSC[C@H](C)CNC(=O)N[C@H](c1nc(C)cs1)C1CC1 96440191 PNJYHGGEFNLWJQ-SKDRFNHKSA-N 313.492 3.201 0 40 DGAB CC(C)n1ccc2c(C(=O)N[C@H]3CN4CCC3CC4)cccc21 95476877 GWEPLWFQMRETON-KRWDZBQOSA-N 311.429 3.046 0 40 DGAB CN(C[C@@H]1CCCN(Cc2ccncc2)C1)C(=O)OC(C)(C)C 96424621 PUBAOYZKSSCSRZ-INIZCTEOSA-N 319.449 3.161 0 40 DGAB C[C@H](NC(=O)[C@H](C)Cn1cc(Cl)cn1)[C@H]1C[C@H]2CC[C@H]1C2 248005937 PRGYPYDKCRXTJU-HYFYGGESSA-N 309.841 3.114 0 40 DGAB CC(C)Cc1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)on1 257291353 QGPIRXXBSIGLFN-GFCCVEGCSA-N 319.430 3.349 0 40 DGAB Cc1csc(Cl)c1NC(=O)[C@@H](C)OC[C@H]1CCCO1 585114365 RSQZFDJBFACTRM-NXEZZACHSA-N 303.811 3.233 0 40 DGAB Cc1noc2ncc(CN3CCC(OC4CCCC4)CC3)cc12 585136806 TVMAWLZXBLCULJ-UHFFFAOYSA-N 315.417 3.455 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@@H](Cc2ccccn2)C1 257310644 UFYLGFXYKDCVSA-AWEZNQCLSA-N 300.427 3.167 0 40 DGAB O=C(NCc1ccccc1F)c1ccnc(-c2cncs2)c1 257265772 MAESZLJGVAEFOT-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB CN(C(=O)NC1CC1)C1CCN(c2ccc(Cl)cc2)CC1 65531423 PFBMFNWHMIDWSB-UHFFFAOYSA-N 307.825 3.113 0 40 DGAB Cc1ccc(-n2nc(C)c(NC(=O)c3cccnc3)c2C)cc1 84174774 SARCNTOIJNBLSU-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1cc([C@@H](C)N[C@H]2CCN(C(C)C)C2=O)ccc1SC 89729411 AIHKBARRUJRGPM-OCCSQVGLSA-N 322.474 3.077 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)c2cc(C(C)C)no2)no1 96001120 DZSYQKWVFYVMOG-CYBMUJFWSA-N 318.377 3.247 0 40 DGAB Cc1ccc(-c2csc3ncnc(N4CCNCC4)c23)cc1 66599 OVBQNKKPEBKJHD-UHFFFAOYSA-N 310.426 3.076 0 40 DGAB Cc1ccc2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1C 12538008 FCSCBOIQNBCQPX-BETUJISGSA-N 301.386 3.019 0 40 DGAB biogenic CCc1cccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)c1 19910645 FGSZTVQBJXCLEJ-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB CC[C@@H](O)/C(Br)=C(\Br)C(F)(F)F 5468398 PQYUBFOMWYDBEU-OWVWHZGRSA-N 311.923 3.321 0 40 DGAB Cc1cccnc1NC(=O)c1csc(-c2ccc(C)n2C)n1 154459741 MCQFBCRZVDGWGI-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)o2)cc1N 226304193 JFZBYYJQHIOINH-BETUJISGSA-N 314.385 3.087 0 40 DGAB O=C1N[C@]2(CCc3ccccc31)CCN(Cc1ccc(F)cc1)C2 19375238 WSFRYDFUTFIMRU-HXUWFJFHSA-N 324.399 3.146 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1cc(O)nc2ccccc12 11750125 QVJMXWIVADNZPN-UHFFFAOYSA-N 318.376 3.402 0 40 DGAB O=C(NCc1ccc(C2CC2)nc1)Nc1ccc2c(c1)OCO2 606440536 ZOCSOGNXIQQCKC-UHFFFAOYSA-N 311.341 3.009 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccsc2)cc1)c1ccco1 575609564 DLDYCPCYHWRKLZ-HNNXBMFYSA-N 313.378 3.472 0 40 DGAB Cc1cc(NC(=O)CCC(=O)c2ccc(Cl)s2)n(C)n1 40512259 NZKVUORTSZPZNG-UHFFFAOYSA-N 311.794 3.045 0 40 DGAB CCc1noc([C@H](C)N2CCC([C@H](O)c3ccccc3)CC2)n1 51531545 KJMVVFDDXLCOKX-SUMWQHHRSA-N 315.417 3.139 0 40 DGAB O=C1[C@H]2CC=CC[C@@H]2C(=O)N1Cc1cccc(C(F)(F)F)c1 21276830 VYVIGLNTLFJCNV-STQMWFEESA-N 309.287 3.157 0 40 DGAB CCC(C)(C)NC(=O)C[C@H](NC(C)=O)c1ccccc1Cl 32922377 ZBHLXPXMJRTGSK-AWEZNQCLSA-N 310.825 3.212 0 40 DGAB Cc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 530659 PBDBSDCEKUEYQO-CVEARBPZSA-N 305.385 3.315 0 40 DGAB CCOC(=O)N(c1ccccc1)S(=O)(=O)c1ccccc1 41918 SCMZUXMTRBBWIG-UHFFFAOYSA-N 305.355 3.038 0 40 DGAB Cc1cc(C)nc(SCCC(=O)Nc2ccc(F)cc2)n1 386141 MEVNFKRQWFXSAB-UHFFFAOYSA-N 305.378 3.353 0 40 DGAB Cc1cccc(Nc2nc3nonc3nc2N2CCCCC2)c1C 478713 RUWFUAJUBKDRKQ-UHFFFAOYSA-N 324.388 3.364 0 40 DGAB COc1ccc([C@H]2NC(=O)c3c(sc4c3CCCC4)N2)cc1 565631 BRNGYCMPYHNLNG-HNNXBMFYSA-N 314.410 3.490 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1nnc(-c2cccnc2)s1 795770 UGXYWCXTRDVGML-CMDGGOBGSA-N 308.366 3.252 0 40 DGAB O=C(Nc1ccnc(-c2ccncc2)n1)c1ccc(Cl)cc1 1403182 AFWIDNQQCKLEAR-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB COc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c1 1961883 BQJDJYSTBSDBHV-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB COC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2)c(OC)c1 2069801 PYMCPFHHYKRHSC-UHFFFAOYSA-N 320.728 3.354 0 40 DGAB COC(=O)c1ccccc1OCCCCNCc1ccco1 3247059 XYXHQFPBERHERQ-UHFFFAOYSA-N 303.358 3.015 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccc(C)c2O)c1 3339198 GKMZHODNIUEGHL-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB COc1ccc(CCNC(=O)CCc2c[nH]c3ccccc23)cc1 3406544 FRQALDYNPBVNRF-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB biogenic Cc1ccc2cc(CCNC(=O)c3ccccc3C)c(=O)[nH]c2c1 3911695 MMUOQYYRJLAJOH-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB CC(C)(C)c1csc(NC(=O)CSC2=NCCS2)n1 4668929 TXWIBGFMTYCNCO-UHFFFAOYSA-N 315.489 3.215 0 40 DGAB CC(=O)c1ccc(NC(=O)CN2c3ccccc3C[C@H]2C)cc1 5688888 CHRJEQHMMCMPGA-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB CCCC[C@H](CC)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 6043054 YNGPJHRHNOSOPJ-NSHDSACASA-N 311.451 3.308 0 40 DGAB C[C@H]1CCCCN1S(=O)(=O)c1cccc(Br)c1 7377669 LMHPXSVGOUBFFN-JTQLQIEISA-N 318.236 3.012 0 40 DGAB O=C(COC(=O)Cc1ccccc1Cl)Nc1cccc(F)c1 7534138 HYXPYOOHHLGUBU-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB COc1ccc(CCNC(=O)CSCc2ccccc2)cc1 7603285 WSWCRVBQWMCMQB-UHFFFAOYSA-N 315.438 3.287 0 40 DGAB Cc1ccccc1COC(=O)c1ccccc1N1CCCC1=O 8003416 GFTRILRAQWCNFW-UHFFFAOYSA-N 309.365 3.479 0 40 DGAB C[C@@H](NC(=O)c1ccc(N2CCCC2=O)cc1)c1cccs1 8344150 XQVIKWIGSIKPNZ-GFCCVEGCSA-N 314.410 3.366 0 40 DGAB CC(=O)c1cccc(NC(=O)c2nnn(-c3ccccc3)c2C)c1 8715130 GUPBJZCVHZUENC-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB Cc1cccc2cc(COC(=O)c3ccc(F)cc3)c(=O)[nH]c12 9158536 GMAOQIIQWHBXIC-UHFFFAOYSA-N 311.312 3.333 0 40 DGAB O=C1c2ccccc2N[C@H](c2cccs2)N1C[C@H]1CCCO1 9477553 ISYQCVHASZADHP-WBMJQRKESA-N 314.410 3.494 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CCC[C@H](C(F)(F)F)C2)cc1 10286865 CZPBRUKKUXWNJJ-LBPRGKRZSA-N 314.307 3.060 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)cc1 12774145 RZTLEZZBXZFDAF-HNNXBMFYSA-N 312.344 3.453 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1ccc(Cl)o1 13009552 UBSFMGKQNGAITO-UHFFFAOYSA-N 304.733 3.078 0 40 DGAB CCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C 13284952 NKQXGATZTNBEET-UHFFFAOYSA-N 312.464 3.002 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)N[C@H](C)c2ccccc2)o1 16377467 KGAIKTLZMDTZQI-HUUCEWRRSA-N 300.402 3.286 0 40 DGAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1F 17727861 NBWKRCPNKQBKLZ-INIZCTEOSA-N 313.328 3.002 0 40 DGAB Cc1nc2nc(-c3ccccc3)nn2c(O)c1Cc1ccccc1 18219923 KGHVEUDPOYMSMG-UHFFFAOYSA-N 316.364 3.396 0 40 DGAB COc1ccc(N)cc1NC(=O)COc1ccc(Cl)c(C)c1 19736141 WFADGBMDJXQLGN-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB Cc1ccc2nc(-c3cc(NC(N)=S)cc(C)c3O)oc2c1 20154601 TXZUPMZHVWHIKE-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB CCN1CCc2nc(NC(=O)Cc3ccc(C)cc3)sc2C1 21295816 KMQVMMPLRVGXDE-UHFFFAOYSA-N 315.442 3.011 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1csc(-c2ccc(Cl)cc2)n1 21703227 UAGCRYUGZRSYLM-LBPRGKRZSA-N 322.817 3.372 0 40 DGAB CCOc1ccccc1NC(=O)c1cccnc1N1CCCC1 24601383 OAHIVZMSODBTDO-UHFFFAOYSA-N 311.385 3.333 0 40 DGAB Cc1ccc(C(=O)NCC(=O)N(C)Cc2ccc(C)cc2C)cc1 24864153 ACPSTAHTGKCKAH-UHFFFAOYSA-N 324.424 3.000 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@@H](c1ccccc1)C1CC1 25768550 ZZGQKDDCOHCTEU-KRWDZBQOSA-N 301.411 3.257 0 40 DGAB Cn1c(SCc2cccc(F)c2)nc2ccsc2c1=O 26102903 VZNCRJXANBLAFE-UHFFFAOYSA-N 306.387 3.426 0 40 DGAB O=C(COc1cccc(Cl)c1)Nc1nnc(C2CC2)s1 28250417 VXLVTJKPVDYDEV-UHFFFAOYSA-N 309.778 3.086 0 40 DGAB Cc1cc(-c2nnc(SCc3ccccc3F)o2)nn1C 28579035 WSNGMDDAAAYMQJ-UHFFFAOYSA-N 304.350 3.210 0 40 DGAB CC(=O)c1cc(C(=O)N(Cc2cccs2)C2CC2)n(C)c1 32796641 FMCVEYXGBYMUSQ-UHFFFAOYSA-N 302.399 3.094 0 40 DGAB O=C(Nc1ncccc1O)c1cc(-c2ccc(Cl)cc2)on1 32888349 BQZLEUXSMYJIQK-UHFFFAOYSA-N 315.716 3.348 0 40 DGAB O=C(c1ccn(-c2ccc(F)cc2)n1)N1CCc2ccccc2C1 32913939 SMHQCRXTYJDJLY-UHFFFAOYSA-N 321.355 3.210 0 40 DGAB S=C(NCCSCc1ccccc1)NCc1ccco1 33912504 LKIFUAXWEXVQSH-UHFFFAOYSA-N 306.456 3.177 0 40 DGAB C[C@H]1CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)C[C@@H](C)O1 35047600 OIELKWRUCPJWBR-WYFGTUCQSA-N 306.233 3.213 0 40 DGAB CCc1c(-c2ccc(OC)c(Br)c2)nn(C)c1N 38074182 JTFWZFGFENRGIJ-UHFFFAOYSA-N 310.195 3.003 0 40 DGAB COc1ccc(CN[C@H](C)c2ccc3c(c2)OCCO3)cc1F 40009449 YNLDZALTIXKTLV-GFCCVEGCSA-N 317.360 3.456 0 40 DGAB CCc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)o1 40082275 MBDAXLUUMNNFSM-GFCCVEGCSA-N 318.442 3.080 0 40 DGAB CCCc1noc([C@H]2CCCCN2C(=O)c2ccc(C)o2)n1 41123724 SWZCTEXLUXOTPA-GFCCVEGCSA-N 303.362 3.291 0 40 DGAB Fc1ccc(OCC[C@@H]2CCCCN2)c(Br)c1 42773541 VKAGKRSEONFEMQ-NSHDSACASA-N 302.187 3.499 0 40 DGAB CCc1cccc(Cc2cnc(NC(=O)c3cnccn3)s2)c1 44743892 WBWPUYDLVVYXRJ-UHFFFAOYSA-N 324.409 3.339 0 40 DGAB C[C@@H](C1CC1)N(C(=O)c1cncc(Br)c1)C1CC1 46059022 TXOTZTWRHXJFJL-VIFPVBQESA-N 309.207 3.247 0 40 DGAB COc1ccccc1CNC(=O)Nc1ccccc1-n1cccn1 48152336 AGMNAOJYURNJJF-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB CN(C(=O)c1ccn(-c2ccccc2Cl)n1)c1nccs1 50313487 RUHYWZATXBGJOO-UHFFFAOYSA-N 318.789 3.259 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)Cc2ccccc2F)c1 55526549 NODMCTUZXFXYTK-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB O=C(N[C@H]1CCc2cc(F)ccc21)c1cc2ccccc2c(=O)[nH]1 56314793 MRPCZHNMSOVEQW-INIZCTEOSA-N 322.339 3.085 0 40 DGAB Cc1nccc(CNC(=O)N[C@H](C)c2ccc(C(C)C)cc2)n1 56473605 USAUKTMTKBMMPF-CYBMUJFWSA-N 312.417 3.469 0 40 DGAB CCCCC(=O)Nc1nc2ccc(-n3cnnc3)cc2s1 57340557 HVFXSLTYLOGWBZ-UHFFFAOYSA-N 301.375 3.006 0 40 DGAB O=C(CC1CCCC1)NCc1ccc(Cn2ccccc2=O)cc1 58179243 ITAIAYQQXNGLGQ-UHFFFAOYSA-N 324.424 3.093 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)COC(C)C)c1nc2ccccc2[nH]1 58245435 HPHMKNZBEMPYIM-BLLLJJGKSA-N 303.406 3.191 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)NC1(C(=O)O)CCCCC1 58365127 DKUIKFZSCRGVOR-UHFFFAOYSA-N 310.419 3.092 0 40 DGAB CC(C)(C)OC(=O)N[C@@]1(C(=O)O)C[C@H]1c1c[nH]c2ccccc12 60071069 NTPWBSOAOODTEW-SJCJKPOMSA-N 316.357 3.003 0 40 DGAB Cc1ccccc1OCCCn1nnc(-c2cccs2)n1 65203720 SXSTVQYMXSDJPX-UHFFFAOYSA-N 300.387 3.179 0 40 DGAB Cc1ccc(/C=C/S(=O)(=O)Nc2ccnn2C(C)C)cc1 66248463 IZHKACLTSKQBEJ-PKNBQFBNSA-N 305.403 3.185 0 40 DGAB O=C(NC1CCOCC1)N1CCC[C@H](c2ccccc2)CC1 67406004 ZZYAESCPDGTILL-INIZCTEOSA-N 302.418 3.145 0 40 DGAB O=C(c1cccn1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@@H]21 69392873 NBOLOYALRVWYAH-PKOBYXMFSA-N 324.424 3.320 0 40 DGAB Cc1nn(C)c2ncc(CNCc3ccc(Cl)cc3)cc12 70164417 OICICVZCUFGLJT-UHFFFAOYSA-N 300.793 3.220 0 40 DGAB Cc1ccc(CSc2nc3ccc(C)cc3c(=O)n2N)cc1 71327775 LFQUTEFJBXNUFX-UHFFFAOYSA-N 311.410 3.019 0 40 DGAB CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1CCc2ccccc21 71820884 RBPFZHUXVJXKTI-QGZVFWFLSA-N 310.397 3.223 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(Cl)cc2F)c1 71866859 JYCJSCZWFHCYJQ-ZDUSSCGKSA-N 321.783 3.289 0 40 DGAB CC[C@@H](Nc1ccc(Oc2ccccc2OC)cc1)C(N)=O 71902400 ZSXHXPXZSWCXJR-CQSZACIVSA-N 300.358 3.163 0 40 DGAB O=C(N[C@@H](c1ccc(Cl)cc1)C(F)(F)F)[C@@H]1CCOC1 71921744 MRGAQFQKMJSOIJ-KOLCDFICSA-N 307.699 3.096 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2Cl)cc1 72228028 UURKZQICIKUXMP-HZPDHXFCSA-N 300.789 3.318 0 40 DGAB CC[C@@H](C)CN(CC)C(=O)c1csc(-c2cnn(C)c2)n1 72312179 ARGUOBOVHKTXQB-LLVKDONJSA-N 306.435 3.052 0 40 DGAB OCC[C@@H](Nc1nccc(C(F)(F)F)n1)c1cccs1 77236131 ATYOPHUXRGKHML-MRVPVSSYSA-N 303.309 3.093 0 40 DGAB Cc1noc(C)c1C(=O)NC[C@@H](C)Oc1ccccc1Cl 78226992 XVIHNPZSWQRQSD-SECBINFHSA-N 308.765 3.142 0 40 DGAB O=C([C@H]1CCOC1)N1CCSc2ccc(C(F)(F)F)cc21 84452258 DHFXXJNVCBLZBS-VIFPVBQESA-N 317.332 3.181 0 40 DGAB CCOc1ccc(-c2nc(-c3ccc(O)cc3)n[nH]2)cc1OC 85384539 KOKNVMWFVHZRBP-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB O=Cc1ccc(OCc2nc(-c3c(F)cccc3F)no2)cc1 89262939 BVRWMYZYDSBVBN-UHFFFAOYSA-N 316.263 3.406 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1ccc([S@](C)=O)cc1)C(C)(C)C 89598306 ZMZKWZXGQXAHBQ-XUSGNXJCSA-N 310.463 3.000 0 40 DGAB Cn1c(C2CC2)nc2cc(NC(=O)CC[C@@H]3CCCO3)ccc21 89870533 ILQWKKCJMVTUCX-AWEZNQCLSA-N 313.401 3.348 0 40 DGAB C[C@H]1CC[C@@H](C)N1C(=O)c1cnn2c(-c3ccccc3)ccnc12 89922746 PZEVFQVKZCHFFG-OKILXGFUSA-N 320.396 3.409 0 40 DGAB Cc1ccoc1C(=O)NC1CCN(c2ccncc2Cl)CC1 95408571 XCVBAEJQQAYSAI-UHFFFAOYSA-N 319.792 3.035 0 40 DGAB c1ccc(-c2nc[nH]n2)c(OCc2ccc(-n3cccn3)cc2)c1 95437212 IGDWYBQJFRSMJF-UHFFFAOYSA-N 317.352 3.236 0 40 DGAB O=C(CNc1cc(F)c(F)cc1F)Nc1ccc(F)c(F)c1 95460339 WCJZCOJMUFBFSJ-UHFFFAOYSA-N 316.229 3.433 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1cc2ccccc2cc1N 95954184 BJIZAXKMDXYJPG-UHFFFAOYSA-N 309.369 3.299 0 40 DGAB c1ccc(CO[C@H]2COC3(CCN(CC4CC4)CC3)C2)cc1 96047868 RFQLHTKSRPYUMG-GOSISDBHSA-N 301.430 3.237 0 40 DGAB Cc1ccc(CN2C[C@H]3CN(c4ccccc4)C(=O)[C@@H]3C2)s1 96053583 XXPYSZHYRBUERZ-WMLDXEAASA-N 312.438 3.151 0 40 DGAB CO[C@@H](CNC(=O)NCc1cccs1)c1cccc(F)c1 96388839 RBNHINMROATUNY-AWEZNQCLSA-N 308.378 3.074 0 40 DGAB Cn1c(CN[C@H]2CCO[C@H]2c2ccccc2)nc2ccccc21 96447540 CJTQCXZRSJKVRQ-LPHOPBHVSA-N 307.397 3.193 0 40 DGAB Cc1cc(S(=O)(=O)NCc2ccc(Cl)cc2)ccc1F 96658907 PPNGUTJXUKGDFU-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB Cc1nnc(-c2ccc(C(=O)O[C@@H](C)c3nccs3)cc2)o1 97113065 AHNISMFGFVGKJR-VIFPVBQESA-N 315.354 3.420 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)c1 101275172 QWMSAWFANUXPMT-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)N[C@H](C)c2nc(C)cs2)C1(C)C 110608472 SKYZPINMACMSFN-GRYCIOLGSA-N 311.451 3.015 0 40 DGAB O[C@@H](CN[C@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 195560795 AUNIRMAGBREALY-RBUKOAKNSA-N 323.371 3.028 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)N[C@H](C)CC 225554740 SAYRELXAPYOMMJ-NVXWUHKLSA-N 318.461 3.427 0 40 DGAB COc1cccnc1NC(=S)NCCCOC1CCCCC1 225618914 PXQSLPHKHAIGQW-UHFFFAOYSA-N 323.462 3.116 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)Nc1cccc(Cl)c1 225718655 NUIKIPIOTGYSEC-UHFFFAOYSA-N 312.756 3.294 0 40 DGAB Clc1cc(Br)c(I)cn1 238564465 XPISYMPZZGZCFQ-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB C[C@@H](NC(=O)CCCc1nccs1)[C@@H]1COc2ccccc21 252495019 OKYJTTLZVIZLQN-OCCSQVGLSA-N 316.426 3.147 0 40 DGAB Cc1cc(CC[C@H]2CCCN2C(=O)c2cscn2)ccn1 257232904 GMYDWLCIEFUFRS-CQSZACIVSA-N 301.415 3.084 0 40 DGAB Cc1ccc([C@@H]2CN(CC3=Cc4ccccc4OC3)CCO2)nc1 257272421 NCIRWMFIEWXSLS-FQEVSTJZSA-N 322.408 3.239 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](Cc3[nH]ncc3C)C2)s1 257299558 RQNFYWSPNSZTIA-ZDUSSCGKSA-N 303.431 3.183 0 40 DGAB CCN1C(=O)N/C(=C/c2ccc(Sc3ccccc3)o2)C1=O 409173591 MBPWBNJXWSFWOY-JLHYYAGUSA-N 314.366 3.343 0 40 DGAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@@]2(CCN2C)C1 585101844 IWUXNTVJSSXQOU-GOSISDBHSA-N 304.434 3.196 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3ccccc3Cl)cc2NC1=O 12237086 VARVHUJFGJEJAF-VIFPVBQESA-N 316.744 3.312 0 40 DGAB CSCc1cccc(NC(=O)NC[C@H](C)C[C@H](C)O)c1C 77714505 QLXPWQRPUXXZCY-NEPJUHHUSA-N 310.463 3.387 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cnc(C)s1 78940827 SJUNGBGQLJPEIE-SECBINFHSA-N 323.393 3.160 0 40 DGAB Cc1ccc(NC(=O)CCC(=O)OCCc2ccccc2)cc1 3086430 NINDZQNGBBDJEI-UHFFFAOYSA-N 311.381 3.500 0 40 DGAB CCc1cccc(NC(=O)Nc2cnn(C[C@H]3CCCO3)c2)c1 54355129 MJOSOIJFAKSESN-MRXNPFEDSA-N 314.389 3.269 0 40 DGAB N#Cc1ccccc1CN1C(=O)S/C(=C\c2ccccn2)C1=O 6971808 SBOPZTIPVXNEDC-DHDCSXOGSA-N 321.361 3.190 0 40 DGAB CCOC(=O)[C@@H](CC)[C@@]1(C)NN=C(c2ccc(C)cc2)S1 7076550 NSLVFVURPJWIEP-CJNGLKHVSA-N 306.431 3.299 0 40 DGAB CN(C(=O)c1cc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 42638926 DGAXONUNDAJZRF-GOSISDBHSA-N 318.376 3.288 0 40 DGAB Cn1cc(NC(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)cn1 95351198 WMGCTJGOJFJAHJ-OAHLLOKOSA-N 302.353 3.222 0 40 DGAB Cc1cccc2cc3c(NC(=O)c4ccco4)nn(C)c3nc12 1237311 TVZFUTJLQPBFHP-UHFFFAOYSA-N 306.325 3.275 0 40 DGAB CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3[nH]2)cc1 9063948 BOKZMYBBRUFYOA-UHFFFAOYSA-N 310.382 3.063 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1 1993759 UXUTUIKWJHUUBF-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB CCC[C@H](C)NC(=O)CC1CCN(C(=O)OC(C)(C)C)CC1 58151582 SDDQPMGRJGJXAC-ZDUSSCGKSA-N 312.454 3.328 0 40 DGAB CCN1CCC[C@H](CNC(=O)C2(c3cccc(Cl)c3)CC2)C1 58275433 DLEVFERMNAJSCI-CQSZACIVSA-N 320.864 3.220 0 40 DGAB CCC(=O)N1CCCC[C@@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1 58244645 OZLRNFOWRRPOEU-MRXNPFEDSA-N 313.401 3.206 0 40 DGAB NC(=O)c1cccc(NC(=O)c2ccc(SC(F)F)cc2)c1 12673583 UJUBYOWETKQQLO-UHFFFAOYSA-N 322.336 3.353 0 40 DGAB Cc1ccc(S[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)cc1 48213786 URJMUDZALZTPQX-ZDUSSCGKSA-N 303.431 3.465 0 40 DGAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)NCc1ccoc1 48290832 SZLPEWQHFIBUJW-UHFFFAOYSA-N 311.381 3.438 0 40 DGAB CCC[C@@H](C)NC(=O)C[C@H](NC(C)=O)c1ccc(Cl)cc1 48252456 WEBIAGUPLVJZKP-ABAIWWIYSA-N 310.825 3.212 0 40 DGAB Cc1cccc(C)c1N1C(=O)[C@H]2Nc3ccccc3S[C@H]2C1=O 104275202 VEKITAQFGXYYII-GOEBONIOSA-N 324.405 3.132 0 40 DGAB O=C(O)Cc1csc(-c2ccc(Br)s2)n1 36379601 ORFOKEUMASJJBP-UHFFFAOYSA-N 304.190 3.261 0 40 DGAB in-vitro C[C@H]1CCc2ccccc2N1CCNC(=O)NCc1ccccc1 36394119 CBOVALMJXQTARV-INIZCTEOSA-N 323.440 3.327 0 40 DGAB COc1ccc(C)cc1NC(=O)c1noc2c1C[C@H](C)CC2 20357201 NUDHGVPVGUMJQT-SNVBAGLBSA-N 300.358 3.369 0 40 DGAB CCN(Cc1cccs1)C(=O)[C@H](C)[C@H](N)c1ccccc1 95965552 UMTRBIKZTWMGPA-CJNGLKHVSA-N 302.443 3.433 0 40 DGAB CC(=O)c1ccccc1NC(=O)COC(=O)c1ccc(C)s1 3384529 PGIARWJAMBKQPJ-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB C[C@@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 29594222 IOAZCULGEXQIID-OAHLLOKOSA-N 305.381 3.428 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1cc(F)ccc1F 11916661 BSILOTSZSZLISV-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cnn(-c2ccccc2)c1 12817658 WKBTWVVBKCJTIO-AWEZNQCLSA-N 303.365 3.464 0 40 DGAB O=C(Cc1ccc(F)cc1)OCc1nc(-c2ccsc2)no1 12866116 PRQPOPZPFCGBTK-UHFFFAOYSA-N 318.329 3.223 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(Cl)ccc2C)o1 3439950 DGHRGOWEJQQBTH-UHFFFAOYSA-N 307.733 3.345 0 40 DGAB CC(=O)c1ccccc1NC(=O)C[C@@H](C(=O)O)c1ccccc1 13466742 DUMCEFDHSLERHS-OAHLLOKOSA-N 311.337 3.086 0 40 DGAB NC1=N[C@H](c2c(F)cccc2Cl)n2c(nc3ccccc32)N1 5072124 NFVLGLPQRLGGLL-ZDUSSCGKSA-N 315.739 3.116 0 40 DGAB CCOc1ccccc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 4484408 AEFDOSXKBNPNIU-PXAZEXFGSA-N 313.353 3.252 0 40 DGAB Cc1cccn2cc(CC(=O)N(C)[C@H]3CCc4ccccc43)nc12 65594691 PJLRGTRCVLMTON-SFHVURJKSA-N 319.408 3.331 0 40 DGAB COC(=O)c1sc(NC(=O)[C@H](C)c2cc(C)oc2C)nc1C 65594435 ANKQLFOEZQCJFV-MRVPVSSYSA-N 322.386 3.190 0 40 DGAB Cc1ccc(CN(Cc2ccco2)C(=O)c2cnccn2)s1 66029268 NCORDCBWTKFZEI-UHFFFAOYSA-N 313.382 3.282 0 40 DGAB COc1ccc(Cn2cnc3c([nH]c4cc(C)ccc43)c2=O)cc1 5500043 MLOZWMPCFNJBSP-UHFFFAOYSA-N 319.364 3.243 0 40 DGAB CN(C)[C@H](CNCc1nc2ccccc2n1C)c1ccsc1 66970793 SYYDLYFYNYVPBG-MRXNPFEDSA-N 314.458 3.027 0 40 DGAB Cc1nc(CNC(=O)c2ccc(OCC(C)C)cc2)cs1 15832210 BHRPGNJTWDTMDH-UHFFFAOYSA-N 304.415 3.416 0 40 DGAB COc1cccc(CNC(=O)c2cc(OC)c3ccccc3n2)c1 71768913 MGIIJDXGEUBNKG-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB O=C(OCc1ccsc1)[C@@H]1CCCN(CC(F)(F)F)C1 95405022 JQMQIQQZGJKKIN-LLVKDONJSA-N 307.337 3.066 0 40 DGAB COCc1c(C(=O)N2C[C@H](C)OC[C@@H]2C)sc2ccccc12 69414892 CEAPBPNVJHQAKT-RYUDHWBXSA-N 319.426 3.297 0 40 DGAB CCn1cc(CC(=O)NC[C@@H](O)c2ccccc2)c2ccccc21 69441232 LIJBDRWACZLBOY-LJQANCHMSA-N 322.408 3.054 0 40 DGAB O=C(c1ccc(OCc2cn3ccccc3n2)cc1)N1CCCC1 17356480 TVYCPRMIUBJINJ-UHFFFAOYSA-N 321.380 3.149 0 40 DGAB COc1cccc([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1 19957837 QATSAZRBARWIJP-SFHVURJKSA-N 308.381 3.420 0 40 DGAB CCOc1cc(S(=O)(=O)N(C)C2CCCCC2)ccc1F 8714892 SDOTZDVRSIZOFK-UHFFFAOYSA-N 315.410 3.178 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1Cc1cn2ccccc2n1 72253555 ISTKXFAXKLYDLJ-INIZCTEOSA-N 309.417 3.022 0 40 DGAB CC(C)(C)c1ccc(CCC(=O)N[C@H]2CCC[C@H]2CO)cc1 84284372 RIWPNEKFMTTZMO-RDJZCZTQSA-N 303.446 3.194 0 40 DGAB CCO[C@@H](C)c1noc(CN(C#N)c2cccc(CC)c2)n1 89289528 HAAMDHOSSIXYQW-LBPRGKRZSA-N 300.362 3.217 0 40 DGAB CC(=O)c1c(F)cc(F)cc1OCc1nc(CC(C)C)no1 89856575 BIDHSUTYRPMIOD-UHFFFAOYSA-N 310.300 3.328 0 40 DGAB OC[C@H](C1CC1)[C@@H](Nc1ncnc2[nH]c3ccccc3c12)C1CC1 556242049 JQSRMRWZAZKDLX-PBHICJAKSA-N 322.412 3.320 0 40 DGAB O=C(NC1CC1)c1sc(-n2cccc2)nc1-c1ccccc1 61720786 ZMBBQPYROKLEOE-UHFFFAOYSA-N 309.394 3.493 0 40 DGAB COc1ccccc1-c1noc(COc2ccc(C=O)cc2)n1 22120832 WRUFOAPILRSRLX-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB COC(=O)C1(NC(=O)c2ccc(CC(C)C)cc2)CCCCC1 22503850 NAQQQYGDOVMTAV-UHFFFAOYSA-N 317.429 3.491 0 40 DGAB Fc1ccccc1NC1CCN(c2cncc(Cl)n2)CC1 78370578 DJMHSTSPLOHQOH-UHFFFAOYSA-N 306.772 3.350 0 40 DGAB Cc1ccc(NC(=S)Nc2cccc(C(N)=O)c2)c(F)c1 71326069 LBDJCKIEKQPRNF-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(CSC(=S)N1CCCC1)NC1CCCCCCC1 78459535 CVZWACUVGUNSID-UHFFFAOYSA-N 314.520 3.329 0 40 DGAB Cc1ccccc1NC(=O)NCC1CCN(c2ccncc2)CC1 70928881 RKMXEXKGDDJQBS-UHFFFAOYSA-N 324.428 3.428 0 40 DGAB Cc1cc(Cl)ccc1CN1CCC(CC(=O)N(C)C)CC1 136899038 FLHCGTXVYIVHKQ-UHFFFAOYSA-N 308.853 3.339 0 40 DGAB O=S(=O)(CCCc1cn[nH]c1)[C@H]1CCc2c(Cl)cccc21 190938346 OFTNJXQVNGMLPU-HNNXBMFYSA-N 324.833 3.098 0 40 DGAB O=C(CNc1cc(F)ccc1F)NCc1ccccc1Cl 40007950 FCGXZOCNBCYNLK-UHFFFAOYSA-N 310.731 3.347 0 40 DGAB O=C(O)CCCc1nc(-c2ccccc2C(F)(F)F)no1 89262285 JQUDWHMJRNSEIC-UHFFFAOYSA-N 300.236 3.163 0 40 DGAB COC(=O)c1cc(NC(=S)NC2CCCC2)ccc1Cl 225277741 PHCSHONSGPTBHU-UHFFFAOYSA-N 312.822 3.356 0 40 DGAB Cc1ccc(NC(=O)NCc2cn3cccc(C)c3n2)s1 91627568 GRPXJOOSYGYZQS-UHFFFAOYSA-N 300.387 3.334 0 40 DGAB CN(C(=O)Cc1ccc(Cl)cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96418839 FSMVEDIJUIIGRV-BMFZPTHFSA-N 307.821 3.154 0 40 DGAB Cc1nnc([C@@H](C)N[C@H](C)c2cnn(Cc3ccccc3)c2)o1 97374524 ACTORXQUEIJEBA-CHWSQXEVSA-N 311.389 3.035 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)Cc1cccc(C(=O)O)c1)C1CC1 97231587 QJWQJMYZKVWICV-LBPRGKRZSA-N 313.353 3.273 0 40 DGAB CCSc1ccccc1NC(=O)N1CCC[C@H](CCO)C1 69776378 FTKKKDKEVQUELD-CYBMUJFWSA-N 308.447 3.425 0 40 DGAB O=C(c1cccnc1)N1CCc2cc(Br)sc2C1 95445840 BXVKSNKTDLPABB-UHFFFAOYSA-N 323.215 3.104 0 40 DGAB CC(=O)c1c(C)[nH]c(C2=NN=C(NC(C)(C)C)SC2)c1C 101606237 YYUGRTSAJIALNI-UHFFFAOYSA-N 306.435 3.029 0 40 DGAB CCOC(=O)C(F)(C(=O)OCC)c1ccc(Cl)c(Cl)c1 169796018 RSAUGNCHODTFJZ-UHFFFAOYSA-N 323.147 3.284 0 40 DGAB O=C(CN1CC[n+]2cc(-c3ccccc3)sc21)c1ccccc1 161782 QVWPWKCHCAETND-UHFFFAOYSA-N 321.425 3.406 0 40 DGAB CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CCC(C)C 8959290 VZHRHASBLZJDLJ-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cc1cc(NC(=O)CSc2ccccn2)n(-c2ccccc2)n1 11710453 LGKQNPWYLPULHF-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(Br)c1 6330674 KABYKUULLJDORI-RYUDHWBXSA-N 324.174 3.055 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)N1CCOCC1 5713495 LZZGBUZKRWUHEI-UHFFFAOYSA-N 308.687 3.223 0 40 DGAB O=C(c1ccc2[nH]ccc2c1)N1[C@H]2CC[C@H]1CC(n1ccnc1)C2 1565519946 XNONSLYTEFXLJZ-HOTGVXAUSA-N 320.396 3.373 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccc(F)cc3)o2)cc1 3073303 PYEOEQNWKWVZFZ-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB O=C(CSc1nccn1Cc1ccco1)Nc1ccccc1 7392000 XKGAGMYUMHFXRH-UHFFFAOYSA-N 313.382 3.255 0 40 DGAB O=C(Cc1cccs1)NCc1cc(-c2ccccc2F)on1 16838497 YVBHIJBCHNXRHH-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB O=c1cc(N2CC3(CC(c4ccccc4)C3)C2)nc2ccccn12 1775971205 XOYQITMRLGVHDF-UHFFFAOYSA-N 317.392 3.079 0 40 DGAB O[C@H](CNc1ncnc2cnccc12)c1csc2ccccc12 1775970924 KDWZCXZULZKCKB-OAHLLOKOSA-N 322.393 3.385 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3CC[C@H]2C)cc1 7404539 OKNWQJUNWGRFEX-CYBMUJFWSA-N 317.410 3.225 0 40 DGAB CCOCc1ccc(CNC(=O)c2c(F)cccc2F)cc1 30480021 XCIQDYVJVVZZBT-UHFFFAOYSA-N 305.324 3.431 0 40 DGAB Cc1nc(CCNC(=O)[C@H](C)SCc2ccccc2)cs1 40553477 LWQJWGJTNKHRDB-LBPRGKRZSA-N 320.483 3.432 0 40 DGAB CCCCN1C(=O)N[C@@H](c2ccccc2)C(C(=O)OC)=C1C 32665950 KADMUWHSNQLUHO-HNNXBMFYSA-N 302.374 3.000 0 40 DGAB O=C(NC[C@@H](O)c1ccc(Cl)cc1)c1cccc(Cl)c1 32760808 ZDSAZFQNECUNBS-CQSZACIVSA-N 310.180 3.457 0 40 DGAB Cn1ncc2c(N3CCC[C@H]3c3ccccc3Cl)ncnc21 52486416 XSPSVTIJGVRVBY-AWEZNQCLSA-N 313.792 3.358 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)Nc2nccs2)cc1C 52797129 VMOZOUBZMXDECX-UHFFFAOYSA-N 304.375 3.444 0 40 DGAB COc1cccc(N2C[C@@H](c3nc4ccccc4n3C)CC2=O)c1 530254 PJFXSRMJXXDGMP-ZDUSSCGKSA-N 321.380 3.102 0 40 DGAB Nc1nc(-c2ccc(Cl)cc2Cl)c(-n2cncn2)s1 35113 MGTSWZOEJVHUEL-UHFFFAOYSA-N 312.185 3.280 0 40 DGAB c1ccc(-c2nnc(-c3ccccn3)c(-c3ccccn3)n2)nc1 102542 JGMBVEZRZJNYAG-UHFFFAOYSA-N 312.336 3.058 0 40 DGAB in-vitro O=c1c(Cl)c(NCc2ccco2)cnn1Cc1ccccc1 138608 MCVRIPMLOJDKJD-UHFFFAOYSA-N 315.760 3.150 0 40 DGAB CCCC1=NN(C(=O)c2cccc(C)c2)[C@@](O)(C(F)(F)F)C1 274564 NCXXRAUGPAOCGS-AWEZNQCLSA-N 314.307 3.248 0 40 DGAB CCCN(C(=O)c1ccco1)c1nnc(-c2ccncc2)s1 1376712 NLBAJQQCVSIESI-UHFFFAOYSA-N 314.370 3.250 0 40 DGAB Cc1ccc(CSc2nnc(-c3cccs3)n2N)cc1 2577061 NJNHQYSBEJDYBU-UHFFFAOYSA-N 302.428 3.321 0 40 DGAB S=C(Nc1ccn(Cc2ccc(Cl)cc2)n1)NC1CC1 2778869 AAUMPUPTACKRCF-UHFFFAOYSA-N 306.822 3.034 0 40 DGAB Cc1nc(N2CCOCC2)c2c3c(sc2n1)CCCCC3 3235059 ROQDWNOVWVKZJQ-UHFFFAOYSA-N 303.431 3.105 0 40 DGAB CC(=O)c1cccc(NC(=O)CN2c3ccccc3C[C@H]2C)c1 3291041 QPIRJRVEDXHWEO-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB CCN(CC(=O)Nc1ccccc1OC)C(=O)CC1CCCC1 3334149 GBUOQGXZGGBQMW-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB Nc1nc(SCc2csc(-c3ccc(Cl)cc3)n2)n[nH]1 3344232 MDTSMRBWASIALD-UHFFFAOYSA-N 323.834 3.456 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(F)c2)cc1 3453311 ASEWBAWJGUXBSY-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB O=C(CSc1nnc(-c2cccs2)o1)N1CCCCCC1 4186184 YGDBQXYPPKSSDF-UHFFFAOYSA-N 323.443 3.293 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C)c(C)c2)cc1 4349906 ZCKTZRHHDJNSJV-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB O=C1CC2(CCN(C(=O)c3ccccc3)CC2)Oc2ccccc21 4505487 GRJUSVMBNNLIQT-UHFFFAOYSA-N 321.376 3.327 0 40 DGAB Cc1c(F)cccc1NC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 4520556 MGQBHVRGZCUQID-SWLSCSKDSA-N 321.396 3.093 0 40 DGAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)N(C)c3ccccc32)cc1C 4554956 WYNCAPLSYBZYRD-FQEVSTJZSA-N 323.392 3.049 0 40 DGAB CSc1nsc(SCC(=O)Nc2ccccc2C)n1 5059815 LOISFDWTDVUTTF-UHFFFAOYSA-N 311.457 3.299 0 40 DGAB CCCCc1ccc(NC(=O)COC(=O)c2ccccn2)cc1 5060610 GIKNMQSXXIXGLR-UHFFFAOYSA-N 312.369 3.220 0 40 DGAB CCCOc1ccccc1NC(=O)[C@@H]1COc2ccccc2O1 5512587 XKTRNUSYGPNSSS-KRWDZBQOSA-N 313.353 3.254 0 40 DGAB COc1ccc2c(c1)C(=O)C(=O)N2Cc1ccc(Cl)cc1 6670285 UOYXUOPRUDSKEA-UHFFFAOYSA-N 301.729 3.078 0 40 DGAB COc1cc2c(c(OC)c1)[C@H](c1ccc(F)cc1F)CC(=O)N2 6820209 SVKUFISIQHPTPG-LBPRGKRZSA-N 319.307 3.456 0 40 DGAB NC(=O)c1cc(-c2csc(-c3ccsc3)n2)ccc1O 8102746 KIUIATNONFWKKX-UHFFFAOYSA-N 302.380 3.343 0 40 DGAB Cc1ccc2[nH]c(=O)c(COC(=O)c3ccc(F)cc3)cc2c1 8572679 DVIHUJGQFGFZEE-UHFFFAOYSA-N 311.312 3.333 0 40 DGAB COc1ccc(-c2cc(CSc3cccc[n+]3[O-])on2)cc1 8705495 DQNQQZARQXKECK-UHFFFAOYSA-N 314.366 3.276 0 40 DGAB CC(=O)NC(=S)Nc1ccc(N2CCCCC2)c(Cl)c1 9064178 TXXKDTHFMKFFDQ-UHFFFAOYSA-N 311.838 3.163 0 40 DGAB Cc1nc2cc(NC(=O)c3cc(=O)[nH]c4ccccc34)ccc2o1 9534278 ZEQNEWDPBGTWRI-UHFFFAOYSA-N 319.320 3.230 0 40 DGAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccccc1F 12355731 PKHIAIFJKFPBLG-INIZCTEOSA-N 318.417 3.454 0 40 DGAB O=C(COc1ccc(Oc2ccccn2)cc1)Nc1ccccn1 12537161 KDILGIJUFWMHHF-UHFFFAOYSA-N 321.336 3.286 0 40 DGAB Cc1ccc(CNC(=O)CCc2nc3ccccc3[nH]2)cc1F 12547740 VYINYIJBRFSLSZ-UHFFFAOYSA-N 311.360 3.259 0 40 DGAB COCCNC(=S)Nc1ccc(Br)cc1Cl 13795182 ZPIQXIQEUJSIKE-UHFFFAOYSA-N 323.643 3.035 0 40 DGAB COc1ccc(NC(=S)NCc2ccccc2F)cc1OC 13937077 ZMMXCWAJCVSEAT-UHFFFAOYSA-N 320.389 3.330 0 40 DGAB COc1cc2c(c(O)c1C)C(=O)C[C@@H](c1ccc(O)cc1)O2 14814927 LNRAFJFUMJDPEP-AWEZNQCLSA-N 300.310 3.121 0 40 DGAB biogenic CCn1nnc2cc(C(=O)N(C)[C@H](C)c3ccccc3)ccc21 15596745 VHSMUJFHBVFARI-CYBMUJFWSA-N 308.385 3.284 0 40 DGAB Cc1ccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c(C)c1 15860718 JIOYSVKPTVKPQS-INIZCTEOSA-N 310.397 3.401 0 40 DGAB CCOC(=O)Cc1csc(NC(=O)c2c(C)oc(C)c2C)n1 21031159 VDEPFCIBJFXBQR-UHFFFAOYSA-N 322.386 3.019 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)NCCc1ccccn1 21775030 KXPVILAGQWPIRS-UHFFFAOYSA-N 317.392 3.425 0 40 DGAB C[C@H](N)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 21948397 KKBVMNKYVQAAIK-SUMWQHHRSA-N 319.449 3.098 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCCC2)cn1 22415596 TUVTUSJWQXBIHY-UHFFFAOYSA-N 323.396 3.268 0 40 DGAB Cc1ccccc1CN1CCN(c2nc3ccccc3o2)CC1 22530592 PGTIRUAZOJTONU-UHFFFAOYSA-N 307.397 3.458 0 40 DGAB Cc1cc(COC(=O)Cc2csc(-c3cccs3)n2)on1 24425073 LSJPHCOXRYDKFZ-UHFFFAOYSA-N 320.395 3.454 0 40 DGAB Cc1cc2ncn(CC(=O)N3CCc4ccccc4C3)c2cc1C 25218840 HWCDOZVSJABWCB-UHFFFAOYSA-N 319.408 3.238 0 40 DGAB CCN(C(=O)Cc1c(C)noc1C)c1nc2ccccc2s1 26907562 NHKJEHNHHHINSA-UHFFFAOYSA-N 315.398 3.497 0 40 DGAB CCc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)o1 31271354 VGXVXPADJVQJPV-SFHVURJKSA-N 313.397 3.428 0 40 DGAB COC(=O)C1(NC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)CCCCC1 32900524 GBBWBXJJTRJKLW-KBPBESRZSA-N 307.434 3.217 0 40 DGAB COc1cccc(C(N)=O)c1OCc1coc(-c2ccccc2)n1 32958245 VVYNVKHSZCPICL-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N[C@@H](C)c1ccc(Cl)s1 33193349 USUPGTXBNHPDEX-VIFPVBQESA-N 311.838 3.172 0 40 DGAB COc1ccccc1CN(C)C(=O)c1cc(Br)c[nH]1 37494790 FJJVATGSILPSDS-UHFFFAOYSA-N 323.190 3.058 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCc1ccccn1 40474158 WTCDWJSYXCOVER-CQSZACIVSA-N 301.415 3.362 0 40 DGAB COc1ccc([C@H](O)CNC(=O)Nc2ccc(C)cc2C)cc1 40525358 MEVWIAWWISTLNL-QGZVFWFLSA-N 314.385 3.167 0 40 DGAB Cc1nc(-c2nn3c(-c4cc(F)ccc4F)nnc3s2)co1 44900580 BSPKIVCWXBTQSF-UHFFFAOYSA-N 319.296 3.094 0 40 DGAB Cn1c(SCCc2cccs2)nc2sccc2c1=O 58171986 PANGQGOJFWSNPF-UHFFFAOYSA-N 308.453 3.391 0 40 DGAB Cc1ccc(NC(=O)NCc2nc(Cc3ccccc3)no2)cc1 58191193 KVYZILSKJBCVSV-UHFFFAOYSA-N 322.368 3.291 0 40 DGAB CC1=NN(C(=S)c2ccc(C)cc2)[C@](O)(C(F)(F)F)C1 59431974 UKFXGUJPRLHEBS-GFCCVEGCSA-N 302.321 3.003 0 40 DGAB COc1ccc2[nH]cc(/C=C3/CC(=O)N(C(C)(C)C)C3=O)c2c1 61721741 XSMKXEHPVLRWHG-XFFZJAGNSA-N 312.369 3.117 0 40 DGAB O=C([C@H]1C[C@H]1c1ccco1)N1CC=C(c2ccc(O)cc2)CC1 63465236 BFRPDICWCIVGOA-SJORKVTESA-N 309.365 3.405 0 40 DGAB COc1ccc([C@@H](C)N2CCC[C@H](CNC(C)=O)C2)cc1Cl 69776220 RMAFNDUGSWVLJH-TZMCWYRMSA-N 324.852 3.258 0 40 DGAB COC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 71826946 XKSNANCIQKGHQC-UHFFFAOYSA-N 320.389 3.200 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccccc1F 71858967 RFWVBCVHLGPJJA-MCMMXHMISA-N 319.401 3.126 0 40 DGAB COc1ccccc1C(=O)NCCCn1ncc2c(C)cccc21 72239541 ZPFYBPJURUXGAX-UHFFFAOYSA-N 323.396 3.173 0 40 DGAB COc1ccc(C(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cc1 72298897 BVGLKFUXNYXJHJ-CQSZACIVSA-N 316.426 3.480 0 40 DGAB Cn1ccc(NC(=O)N2CCC(c3c[nH]c4ccccc34)CC2)n1 73364564 ZGYYPZWKFLCRHB-UHFFFAOYSA-N 323.400 3.313 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc(-c2ncc[nH]2)cc1 74830063 PMHALWVRWQNDOS-UHFFFAOYSA-N 311.316 3.233 0 40 DGAB COc1ccc(OC)c(C(=O)N2CCC[C@@H]2c2cccn2C)c1 75139033 HHYXXQYNUSFQBH-MRXNPFEDSA-N 314.385 3.020 0 40 DGAB Cc1nc(-c2cccnc2)nc(NCCCc2cn[nH]c2C)c1C 76062672 AAWWZWIDOMPBHS-UHFFFAOYSA-N 322.416 3.232 0 40 DGAB C[C@H](c1ccccc1F)[S@@](=O)Cc1nc(-c2ccco2)no1 78556223 CNSWJAVSMVPADJ-ZQJOYCHOSA-N 320.345 3.479 0 40 DGAB CC[C@H](Nc1cccc(COCCc2ccccc2)c1)C(N)=O 79030060 FXWAEFXLELLXSY-SFHVURJKSA-N 312.413 3.122 0 40 DGAB FC(F)(F)c1ccnc(N2CCN(Cc3ccccc3)CC2)c1 80761620 KJOBXYCFOYYIRC-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB CCOc1cc(-c2nc(-c3ccccc3N)n[nH]2)ccc1OC 85385030 UOPGUMYWHFXFNW-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB CS[C@@H]1CCC[C@H]1N(C)C(=O)c1c(O)cc(F)cc1F 89334855 MJDKENQONKKWCS-ZYHUDNBSSA-N 301.358 3.027 0 40 DGAB Cc1ccc(N2CC[C@@H](N[C@@H](C)CC(F)(F)F)C2=O)cc1 90101038 YQPMFXHGYVYJBP-WCQYABFASA-N 300.324 3.031 0 40 DGAB CCCc1cc(C(=O)N[C@@H]2CC[C@H](C(=O)OCC)C2)sc1C 95418758 UORJDTYPXLDRKZ-UONOGXRCSA-N 323.458 3.471 0 40 DGAB O=C(Nc1ccccc1O)[C@@H]1CCCCN1C(=O)c1ccccc1 95442654 WINUQFAGWZDKDL-INIZCTEOSA-N 324.380 3.026 0 40 DGAB Cc1ccc(CN2CCC[C@@]3(C[C@H](n4ccnc4)CO3)C2)s1 96048557 VVCOFBDMQNUGCT-DOTOQJQBSA-N 317.458 3.249 0 40 DGAB CCOC[C@@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1 96105900 WPWIBWSVYJLPKB-KRWDZBQOSA-N 319.445 3.103 0 40 DGAB CCSC1(CNC(=O)c2ccc(Cl)s2)CCOCC1 96420553 PQXHDFQIKLURLB-UHFFFAOYSA-N 319.879 3.434 0 40 DGAB COC(C)(C)C[C@@H](C)NC(=O)N[C@H](c1ccccn1)C(C)C 96440624 PUSFECARALSWPC-HIFRSBDPSA-N 307.438 3.282 0 40 DGAB O=C(NCc1cccnc1)C12C[C@@H]3C[C@H](CC(Cl)(C3)C1)C2 102076034 KJZICOHBYNPBER-JCAIJIATSA-N 304.821 3.276 0 40 DGAB O=C(COc1ccc(F)cc1)N1CCC[C@@H](c2nccs2)C1 171647507 CJOGPEZWCAFLCX-GFCCVEGCSA-N 320.389 3.067 0 40 DGAB O=C(c1ccc(F)cc1)C1CCN(CCCn2ccnc2)CC1 192474467 TVQJZDBHBDRYPZ-UHFFFAOYSA-N 315.392 3.007 0 40 DGAB Cc1nc(C2CC2)ncc1C(=O)NCc1ccc(Cl)cc1 222560769 KFKHDJHQPJKNEW-UHFFFAOYSA-N 301.777 3.246 0 40 DGAB Cc1ccccc1OCCNC(=O)CSCc1ccccc1 223396439 SPVYXNDYZMQCIZ-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC(C)C 225495484 UQRRQHQTLFGAMW-HNNXBMFYSA-N 304.434 3.037 0 40 DGAB CC(=O)c1ccc(N(C)CC(=O)Nc2cccc(Cl)c2)nc1 225599168 ROHGEQNDZBBFIU-UHFFFAOYSA-N 317.776 3.013 0 40 DGAB COc1ccc(NC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034877 NRLBHVQVGYJESZ-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCCC(=O)Nc1cc(-c2ccc(C(=O)O)o2)ccc1OC 226352361 AQGGVBAKCQKDKT-UHFFFAOYSA-N 303.314 3.392 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccc(C(F)(F)F)cc3)=NN[C@@H]2C1 228939334 ISHDJVITTSGJRM-YPMHNXCESA-N 310.319 3.387 0 40 DGAB O=C(Cc1ccc(F)cc1)N1CCC[C@H]1c1cccc2nccn12 257268747 MMZROCZQTFRTKE-KRWDZBQOSA-N 323.371 3.380 0 40 DGAB Cc1cc(N)nc([C@@]2(C)CCCN2Cc2ccc3[nH]ccc3c2)n1 257271849 MZZZDHHFUHDUSR-LJQANCHMSA-N 321.428 3.360 0 40 DGAB CC[C@@H]1C[C@@H](c2nc(Cc3c[nH]c4ncccc34)no2)CCO1 274228817 UXPWYRLHAVNMGJ-WCQYABFASA-N 312.373 3.209 0 40 DGAB CCCC1=NN(C(=O)c2cccc(F)c2)[C@](O)(C(F)(F)F)C1 409091576 VHSVEGBYCQQIEW-CYBMUJFWSA-N 318.270 3.079 0 40 DGAB CCN1C(=O)N/C(=C/c2cccn2-c2ccc(C)cc2C)C1=O 409237922 XYJNZHWZKKUZNQ-RVDMUPIBSA-N 309.369 3.007 0 40 DGAB CC(C)c1ccc(NC(=O)CN[C@@H]2[C@H](C)O[C@H](C)[C@@H]2C)cc1 528755675 HILIXSWPRVTPLD-AHXJXLJNSA-N 304.434 3.150 0 40 DGAB CC(=O)c1ccc(NC(=S)NC(=O)c2ccc(C)cc2)cc1 309404 QYNQWYCJZKLXEF-UHFFFAOYSA-N 312.394 3.324 0 40 DGAB O=C(CN1CCCC1)Nc1ccc(OCc2ccccc2)cc1 522007 NQJZLOZCLIFKTJ-UHFFFAOYSA-N 310.397 3.300 0 40 DGAB CC(=O)COC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 562069 PNNRXAXQHUWCIB-UHFFFAOYSA-N 320.348 3.285 0 40 DGAB Cn1c2ccccc2c2cc([C@@H]3N[C@H](C(=O)O)CS3)ccc21 2503230 ADSFHNHOOIYLNE-XJKSGUPXSA-N 312.394 3.120 0 40 DGAB COc1ccc(CNC(=O)c2ccc3ccccc3n2)cc1OC 2636052 QWGZNLIRQBZYRZ-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)[C@@]1(C)CC1(Cl)Cl 3349606 OJEGSEXYWLLVFI-CYBMUJFWSA-N 316.184 3.061 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc3ccccc3n2)c1 3513749 BMRRRLROZSTGEH-UHFFFAOYSA-N 320.348 3.339 0 40 DGAB c1cc(NNc2cccc(-n3cccn3)c2)cc(-n2cccn2)c1 3852499 IRFKHRHZPLXBMH-UHFFFAOYSA-N 316.368 3.497 0 40 DGAB biogenic COc1ccc(CN2C(=O)C(=O)c3cc(Cl)ccc32)cc1 5428423 WQBUKFBIUICFGZ-UHFFFAOYSA-N 301.729 3.078 0 40 DGAB COc1ccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)cc1 5441589 JLPKMQIBRISAGN-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB CC1CCN(C[C@H](O)COc2ccc(Cl)cc2Cl)CC1 5485625 DUKBNTKUKOGNDE-ZDUSSCGKSA-N 318.244 3.465 0 40 DGAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)c1c[nH]c2ccccc12 5755024 CMOGPSIOINGZJP-NSHDSACASA-N 309.321 3.302 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1cc(F)cc(F)c1 7032359 SZQMGHVYRDULAL-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CCc1ccccc1NC(=O)CNC(=O)c1cc2ccccc2[nH]1 8024158 PSEFIYUQAXHWIH-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB CC(C)c1ccccc1NC(=O)C[C@H](C)NC[C@H]1CCCO1 9416935 HVELSRUWCHJXKN-LSDHHAIUSA-N 304.434 3.296 0 40 DGAB CC(C)(C)Nc1nnc(SCC(=O)Nc2ccccc2)s1 9446376 YVDLSEAESCCKNX-UHFFFAOYSA-N 322.459 3.479 0 40 DGAB CC(C)n1ncc2cc(NC(=O)[C@@H]3CC3(Cl)Cl)cnc21 9690090 PHDNZHWCSDTFNS-JTQLQIEISA-N 313.188 3.145 0 40 DGAB O=C1CCc2cc(NC(=O)c3c(F)cccc3F)ccc2N1 9827751 JKYMUFHQFGTSFG-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB CC(=O)c1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1 9882449 ANTOFFXXXHKQNG-UHFFFAOYSA-N 310.353 3.142 0 40 DGAB Cc1ccccc1CCNC(=O)NC1CC(C)(C)NC(C)(C)C1 12976249 RDUOGUUPDCWVER-UHFFFAOYSA-N 317.477 3.146 0 40 DGAB CNC(=O)c1ccc(NC(=O)CCCc2cccs2)cc1 13137579 XJJTYNRIOFXVJE-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB O=C(COc1ccccc1F)Nc1cc(C(=O)O)ccc1Cl 13167783 ZYFHGWNFXWMXSG-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB COc1cc(C=O)cc2c1O[C@@H](c1ccc3c(c1)OCO3)[C@@H]2C 13339980 YCQBSXRADODLES-BMLIUANNSA-N 312.321 3.474 0 40 DGAB biogenic,in-vitro O=C1c2ccccc2N[C@H](c2cccc(O)c2)N1C[C@H]1CCCO1 15517131 UEGATGGLCDXCDY-QAPCUYQASA-N 324.380 3.138 0 40 DGAB CCc1ccc2nc(Nc3nc(C)c(CC)c(=O)[nH]3)nc(C)c2c1 17950710 BRRZMRPDSACSMY-UHFFFAOYSA-N 323.400 3.198 0 40 DGAB O=C(CSCc1ccc(Cl)c(Cl)c1)N1CCOCC1 20455568 HODDZEMRFLDIQC-UHFFFAOYSA-N 320.241 3.085 0 40 DGAB CC(C)(C)c1ccc(C(=O)Oc2cccc(-n3cnnn3)c2)cc1 21798365 FRVQNFJFVTXKIF-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)c3cc(Cl)ccc3F)cc12 23043326 DQOSUYMGUMVDPD-UHFFFAOYSA-N 318.739 3.322 0 40 DGAB C[C@H]1CCCN(C(=O)c2cc3c(nc4sccn43)s2)C1 25968913 CHBOPCFYFYOXTJ-VIFPVBQESA-N 305.428 3.483 0 40 DGAB CNC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccccc1Cl 26916030 ROXFRNUICRDCCQ-KRWDZBQOSA-N 314.816 3.013 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)c1ccccc1F 27582287 LUYMJCROEYTLTI-HNNXBMFYSA-N 318.417 3.454 0 40 DGAB O=C(c1ccn(COc2ccc(F)cc2)n1)N1CCCCCC1 27972428 DEFDUSLNTIJWTL-UHFFFAOYSA-N 317.364 3.075 0 40 DGAB CC[C@@H](NC(=O)c1n[nH]c2ccccc12)c1ccccc1OC 31615946 MBBICMRFLXEECR-CQSZACIVSA-N 309.369 3.453 0 40 DGAB Cc1nnc(S[C@H](C(=O)NC(C)C)c2ccccc2)s1 31650548 KGZKKRZSIWLJLQ-LBPRGKRZSA-N 307.444 3.205 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc(-c2ccccc2)no1 32913602 AVLVBNYQBLKCBC-UHFFFAOYSA-N 322.320 3.365 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)Cc1cccc(Cl)c1 40108219 DOQFKLWZSKPXGQ-VIFPVBQESA-N 309.822 3.115 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)CCC(=O)N2 40553567 NDYWQCUNGQUKCC-VIFPVBQESA-N 318.760 3.309 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)c1cccs1 41395903 QLVVXBFGNHKZIQ-UHFFFAOYSA-N 300.177 3.376 0 40 DGAB Brc1ccc(OCCSc2nncs2)cc1 42199820 BMQFKPMBEPTZDK-UHFFFAOYSA-N 317.233 3.472 0 40 DGAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 42646569 DCVQPAWXVAYGAR-UHFFFAOYSA-N 310.397 3.239 0 40 DGAB c1ccc2c(c1)OCC[C@H]2NCc1cccc2c1OCCCO2 42796951 ZDRUZEORGBYROG-MRXNPFEDSA-N 311.381 3.461 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCCCn1ccnc1 42897523 BSXBKOYLHINYKA-CQSZACIVSA-N 318.446 3.054 0 40 DGAB COc1cccc(C(=O)NCCCCN2C[C@@H](C)C[C@@H](C)C2)c1 47038477 RQZRQDRWGILPMV-IYBDPMFKSA-N 318.461 3.183 0 40 DGAB COc1cc(CNC(=O)c2cccc(Cl)c2Cl)ccn1 48272484 GXNZJMVLEKZRSG-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB CCN(CC)CC1CCN(C(=O)c2ccc(C)c(F)c2)CC1 49076578 BBTHNZBDZDHKRW-UHFFFAOYSA-N 306.425 3.328 0 40 DGAB CCc1noc([C@H](C)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1 52275615 MHXXIPMKKZAMKS-FZMZJTMJSA-N 321.808 3.420 0 40 DGAB O=C(CCC(=O)c1cccs1)NCCc1cc(F)cc(F)c1 58178835 KJSPFDNEKJZCDC-UHFFFAOYSA-N 323.364 3.348 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)c2c(F)cccc2Cl)C1 58406265 ZHASJDNSDCBEQY-GFCCVEGCSA-N 312.816 3.329 0 40 DGAB O=C(CCCc1cccs1)NCCn1cnc2ccccc21 63965036 BTLVIHZCPFCBAA-UHFFFAOYSA-N 313.426 3.237 0 40 DGAB Cc1ccc(C2(O)CCN(c3ccc4ccccc4n3)CC2)nc1 67587303 DCCHKTSFSCOFAT-UHFFFAOYSA-N 319.408 3.426 0 40 DGAB CCc1ccc([C@H](NC(=O)CCCn2cncn2)C(C)C)cc1 69653812 PKZDMXYWVUTUNF-GOSISDBHSA-N 314.433 3.134 0 40 DGAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1cc(C2CC2)[nH]n1 69813812 FZMNFAYIARQLTR-UHFFFAOYSA-N 318.764 3.151 0 40 DGAB O=C(NCCc1cn2ccccc2n1)Nc1ccc2[nH]ccc2c1 71803346 KSKWINQXDUEDPC-UHFFFAOYSA-N 319.368 3.180 0 40 DGAB Cc1ccc(CNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)cn1 71884153 BALCHZHXGAPDAZ-HZPDHXFCSA-N 300.789 3.463 0 40 DGAB CC(C)c1cc(C(=O)NCc2ccccn2)n(-c2ccccc2)n1 72403353 VLAMPSNDBYOYLJ-UHFFFAOYSA-N 320.396 3.321 0 40 DGAB Cc1c(N)c(Br)cc2nn(-c3ccccc3)nc12 73740146 YQJQDYZJMBZXCQ-UHFFFAOYSA-N 303.163 3.074 0 40 DGAB C[C@@H](NC(=O)N1CCCCC[C@@H]1c1ccco1)c1cnn(C)c1 74473750 JRIVSINMFBCHPH-UKRRQHHQSA-N 316.405 3.401 0 40 DGAB O=C(NC[C@H]1CCCC[C@H]1O)Nc1ccccc1C(F)(F)F 75145012 KLNWJJCWANYXME-ZWNOBZJWSA-N 316.323 3.378 0 40 DGAB Cc1ccc(-c2cnc(CNC(=O)Cc3ccccc3O)o2)cc1 75257846 RQKIYYZJZAEDCV-UHFFFAOYSA-N 322.364 3.215 0 40 DGAB CC(=O)Nc1ccc(CNCCOc2ccc(F)cc2F)cc1 78604186 DSIBUOKEUQJVKR-UHFFFAOYSA-N 320.339 3.092 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)N(C)Cc1ccncc1 80479443 CBDBHPCBCGIDMA-GFCCVEGCSA-N 317.364 3.132 0 40 DGAB O=C(c1csnn1)N1CCc2cc(Cl)cc(Cl)c2C1 84263269 VIMXWTSAKKSIRG-UHFFFAOYSA-N 314.197 3.043 0 40 DGAB Cc1nc(CCNC(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2)c(C)o1 89547985 NFVUUGUMBHFSEA-HUUCEWRRSA-N 318.804 3.407 0 40 DGAB COc1ccc(CN[C@H](CC(C)C)C(=O)OC(C)(C)C)cc1O 89856486 OGBVNPOSIRLHTL-CQSZACIVSA-N 323.433 3.247 0 40 DGAB O=C1C[C@@H](CNc2ccc(OC(F)F)cn2)c2ccccc2N1 91733404 QQQZDMXDSDINSP-JTQLQIEISA-N 319.311 3.221 0 40 DGAB Cc1coc(-c2cccc(NC(=O)c3c(O)cccc3O)c2)n1 92124730 FDYKGOGAEGSIBW-UHFFFAOYSA-N 310.309 3.314 0 40 DGAB C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc2cn[nH]c12 95450641 YLFPOKLDTGVNPM-JTQLQIEISA-N 313.382 3.016 0 40 DGAB Cc1ccc2c(c1)[C@H](NC[C@H]1COC3(CCCC3)O1)CCCO2 95459720 OUSOHJLNENTHGC-DOTOQJQBSA-N 317.429 3.484 0 40 DGAB CCOC(=O)CCCOc1cc(Br)ccc1F 95738541 VDCCZYSXLRJYOQ-UHFFFAOYSA-N 305.143 3.310 0 40 DGAB CN1C(=O)C2(CCN(Cc3ccoc3)CC2)[C@@H]1c1ccccc1 96100237 WHJOZVWLPAGLGR-KRWDZBQOSA-N 310.397 3.075 0 40 DGAB c1cc(CN2CCC[C@]3(C[C@H](OCC4CC4)CO3)C2)cs1 96220145 AAONOPOVCOGAGK-IRXDYDNUSA-N 307.459 3.298 0 40 DGAB C[C@H](C(=O)N1CCC[C@H]1C(C)(C)O)c1ccc(Cl)s1 96487202 MTUSHGSGIQTXAL-ONGXEEELSA-N 301.839 3.267 0 40 DGAB CC[C@@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 96493653 UQZLXAKPYGMEAC-LSDHHAIUSA-N 305.422 3.132 0 40 DGAB COc1ccc(C)c(NC(=O)N(C)C[C@@H]2CCCC[C@@H]2O)c1 97047311 NSNIJAGDSQBHFP-BBRMVZONSA-N 306.406 3.018 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)cc1 100174717 JLMLLJGVUDQKAI-LUKYLMHMSA-N 323.392 3.177 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(Cc1cscn1)CC2 101489917 UEDPLMBECRYWKR-KBPBESRZSA-N 323.462 3.117 0 40 DGAB CC1(C)CC2=Nc3nonc3N[C@@H](c3ccccn3)C2=C(O)C1 102737364 DEWTXXOAPCQXTF-ZDUSSCGKSA-N 311.345 3.336 0 40 DGAB O=C(N[C@H](Cc1ncc[nH]1)c1ccccc1)[C@@H]1C[C@H]1c1ccco1 107494306 XNGURNIJVALTKF-BZUAXINKSA-N 321.380 3.206 0 40 DGAB CCc1nc2n(n1)CCC[C@@H]2NCc1ccc([C@H]2C[C@@H]2C)o1 153767079 DVPBFXUQDZHPCX-UBHSHLNASA-N 300.406 3.182 0 40 DGAB O=C(c1cn2ccnc2s1)N(c1ccccn1)C1CCCC1 188016754 GAPCWGZMWVPAGW-UHFFFAOYSA-N 312.398 3.380 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCC 223141610 VHCQMPDDWSNKSI-INIZCTEOSA-N 318.461 3.429 0 40 DGAB COc1ccc(OCCCC(=O)NCC2=CCCCC2)cc1 224146303 NRDLLIRVTASVME-UHFFFAOYSA-N 303.402 3.471 0 40 DGAB COc1cccnc1NC(=S)N[C@@H]1CCCc2ccccc21 225463057 UQEZKMZAIGKRAU-CQSZACIVSA-N 313.426 3.454 0 40 DGAB Cc1nccn1C[C@H]1CCCN1c1cncc(Br)c1 225598033 ZRHWGBQSHZIWIK-CYBMUJFWSA-N 321.222 3.018 0 40 DGAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)N1CCCCCC1 225735854 XIWADSJLBRYVRH-UHFFFAOYSA-N 318.804 3.058 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 257301153 RXFCDVLHLKORJM-GFCCVEGCSA-N 323.318 3.367 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H](c3cccc4nccn34)C2)n1 257337197 YRVJDOPPADAMDO-OAHLLOKOSA-N 320.396 3.058 0 40 DGAB CN(Cc1cc(F)cc(F)c1)Cc1ccc2c(c1)OCCO2 349584883 GAHRHPWQQMQDQV-UHFFFAOYSA-N 305.324 3.368 0 40 DGAB O=C(NC1CCCC1)N1CC(n2c(C3CC3)nc3ccccc32)C1 1775972513 ITJOIVAARDLFBI-UHFFFAOYSA-N 324.428 3.423 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@H]1c1ccncn1 1848353888 VAHUWFZRCORLJQ-SFHVURJKSA-N 320.396 3.254 0 40 DGAB Cc1ccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)c(C)c1 1888904158 CSKJNVMWXJGTBY-UHFFFAOYSA-N 306.369 3.476 0 40 DGAB COc1ccc2c(c1)C(=O)C[C@H](c1cccc(OC)c1OC)O2 57765 VCOXKEDHNTZBAP-QGZVFWFLSA-N 314.337 3.419 0 40 DGAB biogenic CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 530937 GUMQOTKFTONCKX-VGSWGCGISA-N 319.341 3.384 0 40 DGAB Cc1nn(C)c(C)c1Cc1ccc(NC(=O)c2ccco2)cc1 568326 AHDSIAIYPPEGPC-UHFFFAOYSA-N 309.369 3.473 0 40 DGAB O=C(O)/C=C/c1cc(Br)sc1Br 1700995 DVXZZONDJLGLIN-OWOJBTEDSA-N 311.982 3.371 0 40 DGAB CC(C)CCCCCOc1ccc([C@H]2NC(=O)NC2=O)cc1 2106733 MJUZYAWJCUVOOL-OAHLLOKOSA-N 304.390 3.162 0 40 DGAB biogenic C[C@@H](Oc1ccc2c(=O)c(-c3ccccc3)coc2c1)C(=O)O 2383348 ORWAAQBZVLXILN-LLVKDONJSA-N 310.305 3.312 0 40 DGAB Cc1cccc(Nc2nc3nonc3nc2N2CCCCC2)c1 3148006 UMRVSWQYIOJXEM-UHFFFAOYSA-N 310.361 3.055 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1ccccc1C=O 3280458 ZVFXFJPROROQBO-UHFFFAOYSA-N 312.321 3.067 0 40 DGAB O=C(COc1ccccc1Cl)NCCOc1ccccc1F 3447612 ZDDSNOXDFIBUET-UHFFFAOYSA-N 323.751 3.053 0 40 DGAB CC1=CC[C@@H](C(=O)Nc2nc3ccccc3s2)[C@@H](C(=O)O)C1 4713588 VOKRAUZDTBXLAD-MNOVXSKESA-N 316.382 3.292 0 40 DGAB CCc1ccc(C(=O)N2CCN(c3cccc(OC)c3)CC2)cc1 5094465 VJYPREOJGPCNOF-UHFFFAOYSA-N 324.424 3.220 0 40 DGAB NC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 5263303 BDABMUZTYMUTAM-UHFFFAOYSA-N 309.394 3.117 0 40 DGAB CC(C)(Cl)[C@H](O)COc1c2ccoc2cc2oc(=O)ccc12 5357374 QPHPWCUVCZXUEP-CYBMUJFWSA-N 322.744 3.296 0 40 DGAB biogenic,in-vitro CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1cccc[n+]1[O-] 5446347 CJNYKFHESKKCEE-RBSFLKMASA-N 323.458 3.416 0 40 DGAB CCc1nnc(SCc2c(Cl)cccc2Cl)n1N 5453619 SZQTZAKXEHSUJT-UHFFFAOYSA-N 303.218 3.153 0 40 DGAB CCc1cccc(NC(=O)COC(=O)c2cccnc2Cl)c1 6064323 NPMVKRMMTSJFPQ-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB COc1cc(/C=C2\SC(=O)N(C)C2=O)ccc1OCC(C)C 6306893 QIETZIZXUBQQRH-ZSOIEALJSA-N 321.398 3.396 0 40 DGAB O=Cc1c(-c2ccc3c(c2)OCO3)nc2ccc(Cl)cn12 6740898 PDASWTSIIVFRPP-UHFFFAOYSA-N 300.701 3.196 0 40 DGAB CCN1CCN(c2ccccc2NC(=O)C2CCCCC2)CC1 7107282 GCGBBLMNPJBTED-UHFFFAOYSA-N 315.461 3.347 0 40 DGAB CCOc1ccc(N[C@H](CC)C(=O)Nc2nccs2)cc1 7460410 RWZDGOLZXMSQKV-CYBMUJFWSA-N 305.403 3.371 0 40 DGAB C[C@H](O)c1ccc(-c2ccc(CNCCCN(C)C)o2)cc1 7541037 BUYLLSAXDSXYPX-AWEZNQCLSA-N 302.418 3.041 0 40 DGAB Cc1cccc(-c2nnc(Cn3c(=O)oc4ccccc43)o2)c1 8783092 ATWPZUUFIJLOOF-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3ccccn3)c12 9117941 ATZUFADYKXWYNA-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@H]2C=CCC2)c(C)c1 9156547 GDNKYYWMHVOFBK-HNNXBMFYSA-N 300.402 3.023 0 40 DGAB O=C(Cn1ccccc1=O)Nc1ccc(Oc2ccccc2)cc1 9723584 VEUXNRRZDMMMST-UHFFFAOYSA-N 320.348 3.279 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCSc3ccc(F)cc32)c1 10965615 DIZRVGDODUPACT-CYBMUJFWSA-N 318.373 3.323 0 40 DGAB Cc1ccc(C(=O)OCc2cc(F)cc3c2OCOC3)cc1O 12681056 ZFYGLLJHJBKBHH-UHFFFAOYSA-N 318.300 3.063 0 40 DGAB C[C@@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@@H](C)O1 12781220 QNEIYICIKBIRDD-VXGBXAGGSA-N 302.399 3.060 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccccc1F 12927571 COQRZKGNXXGXKS-UHFFFAOYSA-N 301.317 3.168 0 40 DGAB C[C@H]1CC(=O)c2c(OCC(=O)N3CCCC[C@H]3C)ccc(F)c21 14085670 QUOKKMDKZUKMGY-NWDGAFQWSA-N 319.376 3.295 0 40 DGAB CC1CCN(C(=O)/C=C/c2ccc(N3CCCC3=O)cc2)CC1 14166791 FCKKRYKWQSDEJV-RMKNXTFCSA-N 312.413 3.085 0 40 DGAB Cn1ncc2c(N[C@H]3CCSc4ccc(F)cc43)ncnc21 14276602 BOLLXDKMTDFOPM-LBPRGKRZSA-N 315.377 3.151 0 40 DGAB O=S(=O)(Nc1cccc(Cl)c1)c1ccc(Cl)nc1 16101207 NAPDAWLRIRATES-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3cccc(OC)c3)ccc21 17289119 CGVASMKFMFWLQQ-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB CN(C)CCCNc1nc(-c2ccncc2)cc2ncccc12 19582398 GFGGJAVDLZKGOZ-UHFFFAOYSA-N 307.401 3.055 0 40 DGAB CCC[C@@H](C)NC(=O)COC(=O)c1csc2c1CC[C@@H](C)C2 20865052 HKDJNFSQWPMTDU-VXGBXAGGSA-N 323.458 3.335 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)N2CCCc3ccccc32)s1 20982979 RULNQFPHXWYQQU-SNVBAGLBSA-N 319.455 3.307 0 40 DGAB CC(=O)c1cccc(NCC(=O)NCc2ccccc2Cl)c1 21887018 ILZUKASIPCMJAM-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)N[C@H](C)c1ccncc1 22622062 KMQWXLIFOWMQML-LLVKDONJSA-N 324.409 3.400 0 40 DGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCOc1ccccc1 25643453 SUNIFXYNOHLTOD-CYBMUJFWSA-N 319.788 3.303 0 40 DGAB CN1CCN(C(=O)/C=C/c2ccccc2)[C@@H](c2ccccc2)C1 30028990 HJVCNTODMRPRNE-JXOMPUQVSA-N 306.409 3.215 0 40 DGAB Cc1cc2oc(-c3ccc(C(=O)O)cc3)c(O)c(=O)c2cc1C 31773445 SEJCSVRSUDDWND-UHFFFAOYSA-N 310.305 3.481 0 40 DGAB CN1C[C@@H](c2nc3ccccc3n2CCc2ccccc2)CC1=O 31903434 XMOQCEUOYFYMBU-INIZCTEOSA-N 319.408 3.225 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C(=O)O)C12CC3CC(CC(C3)C1)C2 38665701 LJUATQZYDYSZPV-RQYMUSGFSA-N 309.406 3.181 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2c(C)cc(C)cc2C)C1 40525466 IXKFLOBGNKOCBN-HNNXBMFYSA-N 318.417 3.419 0 40 DGAB Cn1ccnc1COc1ccc(NC(=O)C[C@H]2C=CCC2)cc1 42710238 DEBWWIVNWNDTGB-AWEZNQCLSA-N 311.385 3.294 0 40 DGAB O=C(Nc1nccs1)N1CCC(OCc2ccccc2)CC1 42755099 ARJNCCPFOIVZCT-UHFFFAOYSA-N 317.414 3.356 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CC(=O)Nc3cc(F)ccc32)o1 44895548 SUOMHTGKBYMNNJ-ZWNOBZJWSA-N 316.332 3.030 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1ccccc1OC 44946385 JZEOTEMUIKVZOG-INIZCTEOSA-N 315.369 3.500 0 40 DGAB CC(C)CN1CC[C@H](c2nnc(-c3ccc(N(C)C)cc3)o2)C1 49170216 GGJKZGZVQYKOEF-HNNXBMFYSA-N 314.433 3.248 0 40 DGAB biogenic,in-vitro Cn1ncc2c(N3CCC[C@@H]3c3cccc(Cl)c3)ncnc21 52448555 CDZALSMFOBVABU-CQSZACIVSA-N 313.792 3.358 0 40 DGAB CC(=O)Nc1ccc(/C=C2/N=C(c3cc(C)oc3C)OC2=O)cc1 55006042 QJIONFCIXCZTHR-CXUHLZMHSA-N 324.336 3.199 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)N1CCc2ccccc2C1 57739395 LVFIDWMLMFDTKJ-CQSZACIVSA-N 310.397 3.081 0 40 DGAB CCn1ncc2ccc(NC(=O)Cc3cccc(OC)c3)cc21 58014139 DVDNHXCQTJUCHF-UHFFFAOYSA-N 309.369 3.246 0 40 DGAB C[C@@H](CC(=O)NCC1(c2ccc(F)cc2)CCOCC1)C1CC1 58282849 UTFZGUCWDIRTLU-AWEZNQCLSA-N 319.420 3.426 0 40 DGAB Cc1c([C@H](C)NC[C@H]2CNc3ccnn3C2)oc2ccccc12 58377688 OJXYXPODKAUEDR-KBPBESRZSA-N 310.401 3.330 0 40 DGAB Cc1ccc(NC(=S)NCc2cccs2)c2[nH]ncc12 63566438 KJJSYCUTOLDZQN-UHFFFAOYSA-N 302.428 3.419 0 40 DGAB CCOc1c(CNC2CCN(C(C)C)CC2)cccc1OC 65526075 MLRLGFMTRPHJNL-UHFFFAOYSA-N 306.450 3.056 0 40 DGAB Cc1noc2nc(-c3cccc(C(F)(F)F)c3)cc(C(N)=O)c12 69929367 ICFUSLASGBIJTQ-UHFFFAOYSA-N 321.258 3.316 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCc2ccc(F)cc21 71844041 PLILOBVWCMGKMB-CXAGYDPISA-N 320.408 3.493 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3cccnc3)cc2F)n1 71899730 ILNBHIQDLGBRNK-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1ccc(NC(=O)COCc2ccccc2)c(CN(C)C)c1 71905241 KQKRMUPUCMIGJE-UHFFFAOYSA-N 312.413 3.212 0 40 DGAB CCc1ccc([C@@H]2CCCCCN2C(=O)CCOCCOC)o1 71916063 PRJJWVWMJPIBLM-INIZCTEOSA-N 323.433 3.339 0 40 DGAB OC[C@@H](Cc1c[nH]c2ccccc12)Nc1ncnc2ccccc12 71922317 NDXPOYZCVVECDF-CQSZACIVSA-N 318.380 3.127 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(Cl)cc2)[C@H]1c1ccc(Cl)cc1 72227979 HRHQAAAKUDMQAK-KBPBESRZSA-N 307.180 3.409 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)Cc1ccccc1 72291410 BITSQONNKCSZKC-ZDUSSCGKSA-N 307.390 3.349 0 40 DGAB CC[C@H](C)NC(=O)c1cn[nH]c1-c1cccc(Br)c1 72329029 ANQGQEOHFZTCGG-VIFPVBQESA-N 322.206 3.368 0 40 DGAB C[C@@H]1CO[C@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1 75137115 PZHSOQJMBJKPBT-YGRLFVJLSA-N 320.780 3.057 0 40 DGAB Cc1noc(C)c1CS[C@@H]1CCN(c2ccccc2F)C1=O 79028191 LPZDWEDPGFOHNH-OAHLLOKOSA-N 320.389 3.469 0 40 DGAB CN(C)Cc1ccc(NC(=O)C[C@H]2OCCc3ccccc32)cc1 79361417 HGCZDSSGWNFWEB-LJQANCHMSA-N 324.424 3.391 0 40 DGAB O=C([C@@H]1COc2ccccc21)N(CCC(F)(F)F)CC1CC1 84234710 BNMJASBBJGAUBR-CYBMUJFWSA-N 313.319 3.354 0 40 DGAB C[C@H]1CN(C(=O)Nc2cc(-c3ccccc3)ns2)CCO1 84715097 JSTZZXNXXNKTBU-NSHDSACASA-N 303.387 3.063 0 40 DGAB COCCn1cc(NCc2cc(C(F)(F)F)ccc2F)cn1 89420280 PCPSQLMMURXXJG-UHFFFAOYSA-N 317.286 3.300 0 40 DGAB O=C(c1cnc2ccccn12)N1CC=C(c2cccs2)CC1 89878850 DBRSBJCIOOAVJD-UHFFFAOYSA-N 309.394 3.325 0 40 DGAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1ccc(Br)cc1 95095939 SETIOMOERBJLLR-ZJUUUORDSA-N 311.097 3.468 0 40 DGAB C/C=C/C[S@@](=O)CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1 95417653 JJRXZCJPRGXEQU-URSKGNISSA-N 313.850 3.184 0 40 DGAB CN(CCc1nccs1)C(=O)Nc1cccc2cccnc12 95435466 FBAQAVOCFATXTC-UHFFFAOYSA-N 312.398 3.398 0 40 DGAB CCC(CC)[C@H]1C[C@H](NCc2ccc(C(=O)NC)cc2)CCO1 95465774 UMMZLNDEIITCOS-QZTJIDSGSA-N 318.461 3.120 0 40 DGAB CC(C)n1cc(S(=O)(=O)N2CC[C@H](C)c3ccccc32)cn1 95961242 KNUUBXOEVOFWPK-ZDUSSCGKSA-N 319.430 3.167 0 40 DGAB Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)O2)n1 96057355 HFTOFNUXXXQSAF-OAGGEKHMSA-N 317.364 3.012 0 40 DGAB c1cncc(N2CCC3(CCCN(c4cccnc4)C3)CC2)c1 96071846 PWHVISIKFJQDMZ-UHFFFAOYSA-N 308.429 3.364 0 40 DGAB CC[C@H](NC(=O)NCc1cc(C)no1)c1ccc(F)cc1F 96415381 AOOHHLUFGXONKS-AWEZNQCLSA-N 309.316 3.212 0 40 DGAB Cc1noc(C)c1N(C)C(=O)CCC(=O)c1ccc(F)cc1F 96450417 UMLUFDBNGFROLL-UHFFFAOYSA-N 322.311 3.196 0 40 DGAB CSCC(=O)Nc1cc(Cl)cc(Br)c1O 96452128 RMVKUAUIKWXSPC-UHFFFAOYSA-N 310.600 3.110 0 40 DGAB C[C@H](SCCn1cccn1)c1nc(-c2ccccc2)no1 96475884 NVLRFQILEVZJHR-LBPRGKRZSA-N 300.387 3.428 0 40 DGAB CC(C)C[C@@H](NC(=O)[C@H](C)C1CCOCC1)c1ccccn1 96484905 GHGKKPCUMULYEO-RHSMWYFYSA-N 304.434 3.348 0 40 DGAB C[C@H](O)CCN(C)Cc1ccc(Br)c2cccnc12 96497172 ZURSRXBOTPUBGF-NSHDSACASA-N 323.234 3.200 0 40 DGAB O=C(C[C@@](O)(c1ccccc1)C1CC1)Nc1ccc(O)cc1F 97098096 MNKYTCURSYRJNM-GOSISDBHSA-N 315.344 3.158 0 40 DGAB CCc1nc(C(=O)N2CCSC[C@H]2c2ccccc2)co1 97108917 WUSASXRVMHPTQQ-AWEZNQCLSA-N 302.399 3.167 0 40 DGAB Cc1nc(C(=O)Nc2n[nH]c(C(C)C)n2)c(-c2ccccc2)o1 97135168 RDJIWLAQLSUTGZ-UHFFFAOYSA-N 311.345 3.144 0 40 DGAB CC(C)c1nccn1CC(=O)N1CCC[C@H]1c1cccs1 97236140 BSEDGMMNNVUYSJ-ZDUSSCGKSA-N 303.431 3.432 0 40 DGAB c1ccc(CCn2cnc3c2CCN(Cc2cncs2)C3)cc1 97236829 BZEICCBWCYFZRT-UHFFFAOYSA-N 324.453 3.141 0 40 DGAB Cc1nnc([C@@H](C)N[C@@H](C)c2cnn(Cc3ccccc3)c2)o1 97374522 ACTORXQUEIJEBA-QWHCGFSZSA-N 311.389 3.035 0 40 DGAB Cc1ccccc1-c1noc(-c2nc(-c3ccncc3)no2)n1 98212364 MOLQEPSLFZHWAY-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB Fc1ccc(C2=C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1 100904207 IEGLXBSNUHONMR-OAHLLOKOSA-N 311.295 3.007 0 40 DGAB CC(=O)c1c(F)cccc1N1CC[C@@H](C(=O)OC(C)(C)C)C1 176952877 LRJDLXMSPCJJOG-GFCCVEGCSA-N 307.365 3.196 0 40 DGAB CC[C@H](N[C@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F 180885374 CPZSNSDNYQBBFN-STQMWFEESA-N 318.314 3.030 0 40 DGAB C[C@@H](CN1CCC[C@@H]1c1nncn1C)c1cccc(Cl)c1 187403469 GIGSBEMMPNFGKL-SWLSCSKDSA-N 304.825 3.409 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@H](C)C(=O)N[C@H](C)CC 225206902 GCFCONRTNCLKKE-CHWSQXEVSA-N 324.852 3.382 0 40 DGAB CC1(C)[C@H]2CCC3=C[C@](C)([C@H](O)CO)CC[C@@H]3[C@@]2(C)CC[C@H]1O 253589789 NCAZLDCEJHFJDT-CETRPMQOSA-N 322.489 3.280 0 40 DGAB biogenic CNc1cc([C@@H]2CCCN2Cc2ccccc2C(=O)O)ccn1 257222541 DTRXTAODHXBOMV-INIZCTEOSA-N 311.385 3.159 0 40 DGAB CC(=O)N1CCC(c2cccc(-c3cccc(C(=O)O)c3)n2)CC1 257281080 ONMUHNDRBZOZJH-UHFFFAOYSA-N 324.380 3.173 0 40 DGAB Fc1ccccc1CN1CC2(CO[C@H](Cc3cccnc3)C2)C1 257308938 TYUNUWOMSSLZTO-QGZVFWFLSA-N 312.388 3.054 0 40 DGAB O=C(CCc1ccccc1)N1CCn2c(-c3ccco3)cnc2C1 306127878 GJSRUCBWXQTBJG-UHFFFAOYSA-N 321.380 3.118 0 40 DGAB CCCCCNC(=O)c1cn(CC)c2ccc(C)cc2c1=O 408713124 LAMMZKQPADYGFU-UHFFFAOYSA-N 300.402 3.250 0 40 DGAB Cn1cc(COc2cccc(-c3cnc4c(c3)CCCO4)c2)cn1 527586061 BJAOCJZQEMXSLZ-UHFFFAOYSA-N 321.380 3.386 0 40 DGAB CC[C@@H](C(=O)NC[C@H](c1ccco1)n1cccn1)c1ccccc1 575613662 JQBRBVLWRSVUMJ-IAGOWNOFSA-N 323.396 3.376 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C3CC3)n2C)c(C)c1 411077 WOSWXALDWFMGIY-UHFFFAOYSA-N 316.430 3.040 0 40 DGAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@H]1N2C(=O)c1ccccc1 525831 OVDAQVIEYIDYQE-PKOBYXMFSA-N 306.409 3.443 0 40 DGAB biogenic COc1cccc(OC)c1/C=C/C(=O)NCCc1ccccc1 574346 HMGGLWHIPFHZSV-VAWYXSNFSA-N 311.381 3.076 0 40 DGAB O=P(O)(O)c1cc(-c2ccccc2)oc1-c1ccccc1 1676057 CIRRLLGWMFAUJB-UHFFFAOYSA-N 300.250 3.417 0 40 DGAB Cc1cc(=O)oc2cc(OCCCC[n+]3ccccc3)ccc12 2271508 QAYAMSQDJBMBEH-UHFFFAOYSA-N 310.373 3.248 0 40 DGAB biogenic CCCCNC(=O)Nc1c(C(=O)OC)[nH]c2ccc(C)cc12 2348660 CQRPNSJJOZPRSP-UHFFFAOYSA-N 303.362 3.185 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@H]1CCCCC1=O 2657157 YESHXEVPYOHPNJ-INIZCTEOSA-N 312.369 3.158 0 40 DGAB CCC(=O)c1ccc(OC[C@@H](O)Cn2cnc3ccccc32)cc1 2705577 YIGMVHQWYSYFGD-HNNXBMFYSA-N 324.380 3.069 0 40 DGAB CC(C)C[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)O 3865919 ONJZZZIKEQLSBC-URZJAHPPSA-N 307.434 3.208 0 40 DGAB Cc1ccc([C@H]2SC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 4085509 LTCDNRNJGSQRKJ-QWHCGFSZSA-N 323.414 3.431 0 40 DGAB O=C(CSc1nnc(-c2ccco2)o1)NCC1CCCCC1 4836033 BXYMBTHTVLPHFT-UHFFFAOYSA-N 321.402 3.118 0 40 DGAB CCCC(=O)N1CCN(c2nc3c(C)c(C)ccc3s2)CC1 5240009 BEDXCXGZPWWEQC-UHFFFAOYSA-N 317.458 3.362 0 40 DGAB COC(=O)c1ccccc1[C@@H]1CN=N[C@@]12Cc1ccccc1C2=O 5538014 IKXTZOYHFSRVEB-LPHOPBHVSA-N 320.348 3.200 0 40 DGAB O=C(Nc1ccc(Cl)cn1)c1cc(=O)c2ccccc2o1 5776739 IYAZZQNQPCYBLR-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB COc1cc2c(cc1OC)C1=NN(c3ccccc3)C(=O)[C@H]1CC2 6403794 QHCSKUNQTIMXBD-AWEZNQCLSA-N 322.364 3.017 0 40 DGAB COc1ccc(Cl)cc1C(=O)Oc1ccc2c(c1)OCO2 6509776 HMRWLJYSNAECIX-UHFFFAOYSA-N 306.701 3.297 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3C)C2=O)cc1 7213041 ONKGOKQJBXHXEM-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB Cc1cc(C(=O)Cn2cnc3ccccc3c2=O)c(C)n1C(C)C 7268720 RWUCWCFRCURAOM-UHFFFAOYSA-N 323.396 3.279 0 40 DGAB Cc1cccc(C)c1OC(=O)[C@H]1CC(=O)N(Cc2ccccc2)C1 7657982 MDVKITIFTHLTBN-KRWDZBQOSA-N 323.392 3.258 0 40 DGAB O=C(NCCc1ccc(F)cc1)[C@H]1Cc2cc(Cl)ccc2O1 8274937 GYXNZMKMTFKJCS-MRXNPFEDSA-N 319.763 3.142 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)cc3)cc2NC1=O 8745754 OLFBINWIUMVJGJ-SECBINFHSA-N 316.744 3.312 0 40 DGAB Cn1ccnc1C(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 8778862 MTIPCVWJGQSWMF-UHFFFAOYSA-N 323.327 3.043 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccoc1 10905244 QIEVDOVEPQWGNC-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB O=C(c1ccncc1)N1CCC(c2nc3cc(F)ccc3[nH]2)CC1 12129216 TVBDVDJEUZZDID-UHFFFAOYSA-N 324.359 3.117 0 40 DGAB O=c1oc(-c2ccccc2Cl)nc2cc3c(cc12)OCCO3 12619607 RMEUFAVEIHZTRM-UHFFFAOYSA-N 315.712 3.280 0 40 DGAB Cc1csc(NC(=O)CSc2ccc(F)c(F)c2)n1 12975913 BPCRABXFNSBJOK-UHFFFAOYSA-N 300.355 3.461 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)N[C@H](C)c2cccs2)no1 13010463 CEMBKFZTSNFMHJ-TZMCWYRMSA-N 319.430 3.059 0 40 DGAB CC[C@@H](C)C(=O)Nc1cc2c(cc1Br)OCCO2 13024305 WJUIPRMEEZWENY-MRVPVSSYSA-N 314.179 3.205 0 40 DGAB CCCCCn1c(O)c(C(=O)OCC)c(=O)c2ccccc21 13129974 GOQIUHNSVVFGOP-UHFFFAOYSA-N 303.358 3.074 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1csc2c1CCCC2 14185690 GJJSCBRPALIIEH-UHFFFAOYSA-N 313.382 3.049 0 40 DGAB Cc1ccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2C)o1 15296520 OBVISABWEFEXQJ-HNNXBMFYSA-N 300.402 3.206 0 40 DGAB Cc1ccc([C@@H](CNC(=O)c2ccccc2F)N2CCCC2)o1 15860257 MYEDVZNDBLEBCR-MRXNPFEDSA-N 316.376 3.294 0 40 DGAB C[C@@H]1CN(c2nc(-c3ccncc3)cc3ncccc23)C[C@@H](C)O1 19497616 HDBQBIZYQQCEAE-ZIAGYGMSSA-N 320.396 3.305 0 40 DGAB CC(C)c1ccc([C@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)cc1 19974015 WNICXMLXSSQAHX-KGLIPLIRSA-N 314.389 3.093 0 40 DGAB Cc1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20035072 QCTQLEPWGZOZIL-UHFFFAOYSA-N 310.397 3.080 0 40 DGAB Cc1n[nH]c2c1[C@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 20086346 MWESTJSMEINREM-HNNXBMFYSA-N 309.369 3.210 0 40 DGAB O=C(CCSc1ccccc1)NCCOc1ccccc1 23142306 KZDWUELNSZZVOM-UHFFFAOYSA-N 301.411 3.364 0 40 DGAB Cc1ccc(-c2[nH]c([C@@H]3CC(=O)N(C4CC4)C3)nc2C)c(C)c1 23191628 GRVIQPXIDWXYLN-CQSZACIVSA-N 309.413 3.480 0 40 DGAB Cc1ccc(Sc2ccc(S(=O)(=O)NC(C)C)cn2)cc1 25066929 VSRICKQEVIYZAR-UHFFFAOYSA-N 322.455 3.228 0 40 DGAB COc1cc(CN[C@H](C)c2ccccc2F)cc2c1OCCO2 25363118 RDEPEMMZGLLGDU-GFCCVEGCSA-N 317.360 3.456 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1ccccc1F 26680736 XECILXSJQIZERV-LBPRGKRZSA-N 324.355 3.130 0 40 DGAB COCCCNC(=O)[C@@H](C)c1ccc2cc(OC)ccc2c1 28202600 XGVIFRWHSJJSEF-ZDUSSCGKSA-N 301.386 3.105 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H]2OCCc3ccccc32)cc1C 28285642 HYVXJXPAZRIRMW-SFHVURJKSA-N 309.365 3.450 0 40 DGAB COc1ccc(S(=O)(=O)NCC2CCCCC2)cc1Cl 30288739 RZYBSPZWJZAUSP-UHFFFAOYSA-N 317.838 3.207 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C)oc2C)c1 32610146 PKMGKWSXRLHWSX-NSHDSACASA-N 303.358 3.405 0 40 DGAB Cc1nc2ccccc2nc1COC(=O)c1n[nH]c2ccccc12 32859689 OMOXUYZFSMPRCB-UHFFFAOYSA-N 318.336 3.172 0 40 DGAB CCOC(=O)N[C@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C 32911649 DLRVRSFBFSMROG-LBPRGKRZSA-N 316.760 3.188 0 40 DGAB CCOC(=O)c1nn(-c2ccc(F)cc2Cl)c(C)c1C(C)=O 36646146 SZABXTJAAKFCFQ-UHFFFAOYSA-N 324.739 3.353 0 40 DGAB Cc1cc(C)cc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1 40097767 UFEWCXNJYKUUJR-MRXNPFEDSA-N 320.339 3.437 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2cnn(Cc3ccccc3)c2)o1 46700246 QKLMETBNAHCNQC-MDZDMXLPSA-N 321.380 3.162 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCCc2ccccc2)C1 48331995 SRFMPTKGTMNNCM-HDICACEKSA-N 316.489 3.494 0 40 DGAB COc1ccccc1N(C)Cc1nc(-c2cccs2)no1 52189905 WXNACNIACMUTBE-UHFFFAOYSA-N 301.371 3.443 0 40 DGAB COc1ccc(Nc2cnc3ccccc3n2)cc1NC(C)=O 54056758 HURJAWGZLVQFRG-UHFFFAOYSA-N 308.341 3.340 0 40 DGAB C[C@@H](c1ccc(Cl)c(Cl)c1)N1CCC(C(N)=O)CC1 56267357 OTJADMZLTMPJKB-VIFPVBQESA-N 301.217 3.252 0 40 DGAB CCCO[C@H]1CCCN(C(=O)CCC(=O)c2ccccc2)C1 58367529 LDNXENUZFOQTGP-INIZCTEOSA-N 303.402 3.067 0 40 DGAB Cc1ncsc1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 65504900 QQXPUMFCERILBB-SMDDNHRTSA-N 302.399 3.054 0 40 DGAB Cc1cc(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)no1 65563185 IZAYGHJSWKXHTQ-ZDUSSCGKSA-N 316.405 3.234 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69660155 KRSRNRHRPQRGQY-QGZVFWFLSA-N 322.412 3.092 0 40 DGAB O=C(NCc1cc2c(s1)CCC2)c1cc2ccccc2c(=O)[nH]1 71836838 OISPRZDDPCIJNE-UHFFFAOYSA-N 324.405 3.008 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)CCc1cscn1 71847674 DKGRZEWDIJUAPK-UHFFFAOYSA-N 318.442 3.222 0 40 DGAB O=C1[C@H](SC2=NCCS2)CCN1c1ccc(Cl)cc1 71916010 WGCYRZZRBBSTTM-LLVKDONJSA-N 312.847 3.281 0 40 DGAB O=C(NCCc1nc2c(s1)CCCC2)c1ccncc1Cl 73072625 CUVYNIOFQOMFPN-UHFFFAOYSA-N 321.833 3.043 0 40 DGAB COCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 74103737 UPTWGISKJVKZGO-SECBINFHSA-N 308.378 3.081 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)[C@@H]2CC=CCC2)cc1OC 74611461 WKQDMBCSFBFGOW-NWDGAFQWSA-N 307.365 3.376 0 40 DGAB CC(=O)Nc1cccc(CN(C)[C@H](CCO)c2ccccc2)c1 75898572 JJQYMFWYRWELFB-LJQANCHMSA-N 312.413 3.201 0 40 DGAB CSc1sc(NC(=O)CC[C@@H]2CCCOC2)nc1C 78997062 IFQDOHQZNIPWIW-JTQLQIEISA-N 300.449 3.319 0 40 DGAB COc1ccccc1[C@@H](C)SCC(=O)NCc1cccnc1 79008629 UTXLJNOLAUUZFS-CYBMUJFWSA-N 316.426 3.201 0 40 DGAB CCN(Cc1ccc(Cl)cc1Cl)C(=O)[C@@H](N)C(C)C 79420361 XIGSGXJYDQOHTP-ZDUSSCGKSA-N 303.233 3.325 0 40 DGAB CC[C@H](CNC(=O)Cc1ccc(C)nc1)Oc1cccc(F)c1 84560732 CULSRXBPDOAIKW-MRXNPFEDSA-N 316.376 3.045 0 40 DGAB Cc1noc2ncc(NC(=O)[C@H](C)Sc3ccccn3)cc12 84972774 MZGHEXAAMWJCRO-JTQLQIEISA-N 314.370 3.046 0 40 DGAB O=C(NC[C@H]1Cc2ccccc21)c1cnc([C@@H]2CCCO2)s1 89759201 RYIWFXXYSDNATH-OCCSQVGLSA-N 314.410 3.064 0 40 DGAB Cc1ccnc(N2CCC(OCc3ccc(F)cc3)CC2)n1 91668767 MMJUDZHFTCFKIM-UHFFFAOYSA-N 301.365 3.110 0 40 DGAB Cc1cccc(OCCc2nnc(NC(=O)C(C)C)s2)c1C 95116404 WUXFTUBUFQWFRO-UHFFFAOYSA-N 319.430 3.371 0 40 DGAB CN(C)c1cccc(NC(=O)NCCc2ccc(Cl)cc2)n1 96013137 NGGCDEKRBRHSSK-UHFFFAOYSA-N 318.808 3.165 0 40 DGAB Cc1ccc(CN2CCC3(CC2)CCN(CC2CC2)C3=O)s1 96046876 VDDZMSBGKWQWMR-UHFFFAOYSA-N 318.486 3.281 0 40 DGAB c1ccc(N[C@H]2CCO[C@]3(CCN(C4CCCC4)C3)C2)nc1 96207827 WOAQSLUXIDPQIJ-MAUKXSAKSA-N 301.434 3.060 0 40 DGAB Cc1cc2cc(C(=O)NCC[C@@H](O)C(F)(F)F)oc2cc1C 96431144 BXCJBFOTAQZLCA-CYBMUJFWSA-N 315.291 3.093 0 40 DGAB CC(C)Sc1c(Cl)cccc1NC(=O)N(C)CCO 96435202 GHLVRMWVFPPHLM-UHFFFAOYSA-N 302.827 3.297 0 40 DGAB C[C@@H](CC1CCC1)NCc1ccccc1CN1CCCC1=O 96476572 WLTKIMSPRBLDKB-HNNXBMFYSA-N 300.446 3.477 0 40 DGAB C[C@@H](Cc1ccsc1)N(C)C(=O)c1ccc(C(=O)O)cc1 97036804 MJJCBCYVDLYBKP-NSHDSACASA-N 303.383 3.150 0 40 DGAB CO[C@@H](C)CCC(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 97082339 UXQPKFPGKIXHBK-PQUAAJSLSA-N 324.509 3.303 0 40 DGAB O=C(Cc1ccccc1)Nc1cc(N[C@@H]2CCOC2)ccc1F 97084894 VTBOGCWZVBKKCH-OAHLLOKOSA-N 314.360 3.208 0 40 DGAB Cc1nnc([C@H](C)N[C@H](C)c2cnn(Cc3ccccc3)c2)o1 97374525 ACTORXQUEIJEBA-OLZOCXBDSA-N 311.389 3.035 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3C)C2=O)cc1 101275743 NFHRRZPGUMCRFV-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 102024081 BSEVBIJSEUMTNE-WTTBSCSTSA-N 307.271 3.017 0 40 DGAB CCc1nccn1[C@@H]1CCCN(CCOc2cccc(F)c2)C1 106213252 SJAQXDTYFUYVQU-MRXNPFEDSA-N 317.408 3.301 0 40 DGAB CCOc1cc2c(cc1CN[C@H](C)c1cn[nH]c1C)O[C@@H](C)C2 180014051 HDMWDCPXDLVJGG-NWDGAFQWSA-N 315.417 3.291 0 40 DGAB Cc1nc(CC(C)C)oc1C(=O)NC[C@@H]1CCCO[C@H]1C(C)C 188954279 WGHMRWZVKFVCJJ-HOCLYGCPSA-N 322.449 3.363 0 40 DGAB Cc1nnsc1C(=O)NCCc1csc2ccccc12 190473893 BHXPHAKJPDRLOH-UHFFFAOYSA-N 303.412 3.034 0 40 DGAB O=C(c1ccc(OC[C@H](O)CC2CCCC2)cc1)N1CCCC1 191370020 YXBBPOFPUAYMPG-QGZVFWFLSA-N 317.429 3.243 0 40 DGAB O=C1CN(C(=O)C2(c3ccccc3)CCCC2)c2ccccc2N1 223431574 QNBQNVWAYKWAHV-UHFFFAOYSA-N 320.392 3.484 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CCC[C@H]2[C@H]2CCCO2)c(C)o1 252484454 FWOSYSRPIKNZCO-VBNZEHGJSA-N 306.406 3.310 0 40 DGAB O=C(C1CCCCC1)N1CCC(c2cncc(Cl)n2)CC1 257221187 DNWOGSSZACKQOG-UHFFFAOYSA-N 307.825 3.416 0 40 DGAB Cc1cccc(N2CCC[C@H](N(C)Cc3csc(C)n3)C2)n1 257246311 ITOHBXGISWXQGS-INIZCTEOSA-N 316.474 3.256 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2oc3ccccc3c2C)C1 257296335 RCIHYUFDLZIDKG-CYBMUJFWSA-N 309.369 3.402 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)Nc3c(C)noc3C)C2)cc1 264107461 VLYDJVQJNYJHAW-CQSZACIVSA-N 315.373 3.321 0 40 DGAB Cc1ccc(CN2CCn3c(-c4ccncc4)cnc3C2)s1 306131803 KPYPZJFRYKEMIP-UHFFFAOYSA-N 310.426 3.331 0 40 DGAB CCn1cc(C(=O)N(C)Cc2ccccc2)c(=O)c2ccccc21 408713332 TVXJVXRXGCYUQZ-UHFFFAOYSA-N 320.392 3.294 0 40 DGAB Cc1cccc(C)c1NC(=O)c1cn(C)c2ccccc2c1=O 408713469 ZXXHZHRXQQNPIQ-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1ccsc1)N1CCC(OC2CCC2)CC1 528286833 XJERWXNMGHDISA-JKSUJKDBSA-N 320.458 3.347 0 40 DGAB CCOc1cccc(CNC(=O)[C@@H](CC(C)C)n2ccnc2)c1 585120963 AJMQIPLKKPOSDQ-QGZVFWFLSA-N 315.417 3.185 0 40 DGAB O=C(NCCCc1nc(-c2ccccn2)cs1)C1CC=CC1 585130682 YWFYOFATWWEZQQ-UHFFFAOYSA-N 313.426 3.220 0 40 DGAB CN(C)C1(c2nc(-c3cc(Br)cs3)no2)CC1 585133772 UONROXLMGHSULD-UHFFFAOYSA-N 314.208 3.111 0 40 DGAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@H]2CCC)c1 1548686794 YTEPYAFHTYQKTD-CQSZACIVSA-N 316.401 3.312 0 40 DGAB OC[C@H]1CCN(Cc2ccccc2)C[C@H]1OCc1ccccc1 1772491079 DAEQJRXBQKIVSA-WOJBJXKFSA-N 311.425 3.086 0 40 DGAB Cc1nc(CN2CCC[C@H](COc3ccncc3)C2)cs1 1776000946 QZLOXCFPXGXMFX-AWEZNQCLSA-N 303.431 3.138 0 40 DGAB Cc1cc(O)cc(O)c1C(=O)Cc1cnn(-c2ccccc2)c1 64458 WODKLKRZOYPWAJ-UHFFFAOYSA-N 308.337 3.017 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)cc1 530658 PBDBSDCEKUEYQO-HZPDHXFCSA-N 305.385 3.315 0 40 DGAB Oc1ccccc1-c1nc2ccccn2c1NC[C@H]1CCCO1 883902 HKFQCAZLZUINDW-CYBMUJFWSA-N 309.369 3.298 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1 1745047 VNRLSOMNWLQRHF-RBUKOAKNSA-N 306.409 3.139 0 40 DGAB C[C@H]1C(=O)O[C@@H](c2ccccc2)N1C(=O)OCc1ccccc1 2383876 USPAXEIEXNCGOJ-BBRMVZONSA-N 311.337 3.269 0 40 DGAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(O)c2)N3)C1 2492932 MLSHBEREGCKTBW-RFAUZJTJSA-N 314.410 3.433 0 40 DGAB CC[C@H](NC(=O)c1nn2cccnc2c1Cl)c1ccccc1 2793778 MDELWZATNUQMLR-LBPRGKRZSA-N 314.776 3.264 0 40 DGAB C[C@H](Sc1ncnc2sccc12)C(=O)NC1CCCC1 6115458 AEIUDDDFMGASAX-VIFPVBQESA-N 307.444 3.231 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 6502308 AGYDJCCZUBIXAD-UHFFFAOYSA-N 315.803 3.405 0 40 DGAB CC(=O)c1ccc(NC(=O)COC(=O)CC2CCCCC2)cc1 7058545 BHCXDHCIEJQAEB-UHFFFAOYSA-N 317.385 3.341 0 40 DGAB C[C@@H](SCC(=O)Nc1nccs1)c1nc2ccccc2[nH]1 7654933 IQNCWWKZFOUZHT-SECBINFHSA-N 318.427 3.452 0 40 DGAB CCOCc1cc(C(=O)NCc2ccc(C)cc2)ccc1OC 7958945 LDVFXTLBNZARHQ-UHFFFAOYSA-N 313.397 3.470 0 40 DGAB CN(Cc1ccsc1)S(=O)(=O)c1ccc2c(c1)CCC2 8059570 KEMAAFNRHHNRTF-UHFFFAOYSA-N 307.440 3.058 0 40 DGAB CN1CCCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 8733926 LAEPSYAWIIWRQY-UHFFFAOYSA-N 302.205 3.163 0 40 DGAB COc1ccc(OC)c([C@H](O)c2nccn2Cc2ccccc2)c1 9421583 FLKORGNGAWZQTM-SFHVURJKSA-N 324.380 3.030 0 40 DGAB COc1ccc(C(=O)/N=c2/sc3cc(F)ccc3n2C)cc1 11852998 XTPIWOLRVUDJBH-FBMGVBCBSA-N 316.357 3.129 0 40 DGAB Cc1ncc(-c2ccncc2)c([C@H]2CCCN(C(=O)C(C)C)C2)n1 12088589 SGHCELULSHJTIU-INIZCTEOSA-N 324.428 3.209 0 40 DGAB Cc1nc2cccc(NC(=O)c3cnc(C(C)(C)C)nc3)c2[nH]1 12147428 HRXSLTDEHPWXOS-UHFFFAOYSA-N 309.373 3.211 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 12545899 IVSGFEIQFVEPCB-CYBMUJFWSA-N 319.449 3.022 0 40 DGAB Cc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1 13008038 LKECFYWVQNAROW-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2ccc(C(=O)O)cc2C)c1 13391183 GPBWONJQLCXKDE-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCc1cccc(C)c1 13632799 UEZDUQRKHIQKGZ-SFHVURJKSA-N 313.397 3.477 0 40 DGAB COc1ccc(OCC(=O)NCCCc2cccc(C)c2)cc1 13672264 NYYWHAZPRPEZSE-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCOc1ccc(C(=O)NC[C@H](c2ccc(C)o2)N(C)C)cc1 15860117 OFHKYGXATFUOJZ-MRXNPFEDSA-N 316.401 3.019 0 40 DGAB Nc1nc(S[C@H](C(=O)c2ccccc2)c2ccccc2)n[nH]1 17972437 RFONINHLEIKIRB-AWEZNQCLSA-N 310.382 3.103 0 40 DGAB NC(=O)c1ccc(COc2ccc(F)cc2Br)cc1 19477082 AVYAFRMKEBWERM-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB COc1ccc(N)cc1NC(=O)COc1ccc(Cl)cc1C 19736163 PAWYAVFBONFZPV-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB COc1ccc(Cl)cc1NCC(=O)NCCc1cccs1 24214760 UBZFGINHQMPRLS-UHFFFAOYSA-N 324.833 3.181 0 40 DGAB CC[C@]12CC[C@@H]3[C@H]4CCC(=O)C=C4CC[C@H]3[C@@H]1[C@@H](O)CC2=O 26892520 NANJFPZFEUIDND-MYBOQGECSA-N 302.414 3.058 0 40 DGAB CCn1ncc(Br)c1C(=O)Nc1ccccc1F 28223742 WDMWUOXGOXWBKP-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB Cc1ccnc(NC(=O)[C@H](C)n2nc(C(F)(F)F)cc2C)c1 28235250 RHFIGWWOTWSRHN-JTQLQIEISA-N 312.295 3.113 0 40 DGAB C[C@@H](C1CC1)N(CC(=O)Nc1ccccc1OC(F)F)C1CC1 29725328 VNDCEPLWGBGENN-NSHDSACASA-N 324.371 3.489 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2cccnc2)cc(Cl)c1OC 32731654 DZDYLMGLMYNUHD-SNVBAGLBSA-N 320.776 3.243 0 40 DGAB O=C(Nc1ncn[nH]1)c1cc2ccccc2nc1-c1ccccc1 38830359 KXWCOKURSPRFGQ-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(Cn2cccn2)cc1 47176933 AACYMKVIUCZTBT-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccccn1)CO3 57099780 ZOVLGESIPZZQBD-UHFFFAOYSA-N 322.364 3.157 0 40 DGAB CCCn1cc(NC(=O)Nc2ccc(F)cc2F)ccc1=O 58064057 HCZXQRQPMYXHGF-UHFFFAOYSA-N 307.300 3.181 0 40 DGAB CN(Cc1nnnn1C1CC1)C1CCC(c2ccccc2)CC1 58147400 UAMRIQGAPFGPGA-UHFFFAOYSA-N 311.433 3.166 0 40 DGAB O=C(Nc1nncs1)N1CCCC[C@@H]1Cc1ccccc1 58163262 QZHYFMUSQWRHJW-CYBMUJFWSA-N 302.403 3.167 0 40 DGAB OC1=C(C2=NCCN2)CC/C1=C\c1ccc(Br)cc1 62716144 XNLXPBHRJLNCEQ-PKNBQFBNSA-N 319.202 3.440 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2cc(Cl)ccc2Cl)n1 65552683 DZWWKNFYLRZCNI-ZCFIWIBFSA-N 300.145 3.176 0 40 DGAB CN1CCC[C@@H]1CNC(=O)CCSc1ccc(Cl)cc1 65590710 AJCISCKDXJPSOP-CYBMUJFWSA-N 312.866 3.033 0 40 DGAB O=C(c1cccn1Cc1ccccc1)N1CCO[C@@H]2CCCC[C@H]21 69392885 NBOLOYALRVWYAH-IEBWSBKVSA-N 324.424 3.320 0 40 DGAB O=C(CCc1cccc(Cl)c1)NC[C@H](O)C1CCCCC1 69494762 ZUTVFWDKKOFHRS-INIZCTEOSA-N 309.837 3.330 0 40 DGAB CC[C@H](NC(=O)NCc1ccc(C)nc1)c1nc(C)cs1 71856623 LZKNNXKWUUKIRL-ZDUSSCGKSA-N 304.419 3.105 0 40 DGAB Cc1ccccc1C[S@@](=O)[C@H](C)C(=O)N(C)c1ccccc1 71858856 JRFANQGBFOJFAA-QRQCRPRQSA-N 315.438 3.295 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCCC[C@H]2Cn2cccn2)c(C)o1 71865429 GYCHFWZHIRAAQL-ZBFHGGJFSA-N 315.417 3.278 0 40 DGAB CCOC(=O)c1cnn(CC(=O)C2CCCCC2)c1C(F)F 71899887 OSYYNBOSXJFADQ-UHFFFAOYSA-N 314.332 3.147 0 40 DGAB CS[C@@H]1CCC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 72287120 BEXXSEKTKUWGPF-QWHCGFSZSA-N 324.421 3.188 0 40 DGAB CCN(C(=O)c1cnccn1)[C@H](Cc1ccc(C)cc1)C1CC1 72297026 IGVZNPIYOWQROC-GOSISDBHSA-N 309.413 3.268 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1C(F)(F)F)c1cccnc1 75109949 NRPHKCJKGGGIRN-UHFFFAOYSA-N 320.267 3.040 0 40 DGAB O=C(NCc1ccsc1)c1ccc(-c2ccccc2)[nH]c1=O 75117634 QKTFUOJDGBRDOM-UHFFFAOYSA-N 310.378 3.033 0 40 DGAB O=C1c2cc(Cl)ccc2N[C@H](c2csnn2)N1CC1CC1 77417133 ANHJESHXHGOMEX-ZDUSSCGKSA-N 320.805 3.168 0 40 DGAB O=C(Nc1cccc(N2CCCCCC2)c1)N1CCC[C@H]1CO 77723525 QQDBHNDBWRGDAH-KRWDZBQOSA-N 317.433 3.056 0 40 DGAB COC(C)(C)C[C@@H](C)Nc1cc(C)nc(-c2ccncc2)n1 78402226 ATCDBUGGJWLOLC-CYBMUJFWSA-N 300.406 3.463 0 40 DGAB O=C(NCc1cccc(CO)c1)N1CCC2(CCCCC2)C1 78952750 ALMOKTKIONOJEH-UHFFFAOYSA-N 302.418 3.045 0 40 DGAB CC(C)N(C(C)C)S(=O)(=O)c1ccccc1Br 84848682 OCXVEJYCGJCHCW-UHFFFAOYSA-N 320.252 3.257 0 40 DGAB Cc1ccc([C@@H](C)N[C@@H](C)Cn2ncc3ccccc3c2=O)o1 90937979 YSOPFTAXKUVMQR-GXTWGEPZSA-N 311.385 3.037 0 40 DGAB Cc1cncc(C(=O)OC2CCN(Cc3ccsc3)CC2)c1 95426601 OZBFUIKNZPJGGQ-UHFFFAOYSA-N 316.426 3.273 0 40 DGAB C[C@H]1CCOCCN1C(=O)NCc1ccccc1OC(C)(C)C 95984033 LIDHTQIAOGMPPP-AWEZNQCLSA-N 320.433 3.184 0 40 DGAB CC[C@@]12C[C@H]3CN(C1)[C@@H](C2)[C@@H](c1ccnc2ccc(O)cc12)O3 96029565 DZHXBRDYIVRDPL-YFYLHZKVSA-N 310.397 3.255 0 40 DGAB FC1(F)CCN(CC2CC2)C[C@]12CCN(c1ccccn1)C2 96051159 VAZGDLVZDDLUSM-INIZCTEOSA-N 307.388 3.029 0 40 DGAB Cc1cc(C(=O)NCCn2ccc(-c3cccs3)n2)c(C)o1 96103806 ACSBMRVJXOQJQX-UHFFFAOYSA-N 315.398 3.251 0 40 DGAB O=[S@@](Cc1ccccc1F)Cc1cc(F)cc2c1OCOC2 96404539 NTARLRDUBGUVJU-JOCHJYFZSA-N 324.348 3.280 0 40 DGAB C[C@H](NC(=O)/C=C/c1ccco1)c1cccc(-n2ccnc2)c1 96432055 VXWJMQVVQGPEJJ-NPQIQWPPSA-N 307.353 3.356 0 40 DGAB CC[C@H](NC(=O)N[C@H](C)c1cnn(C(C)C)c1)c1ccncc1 96440166 DYUFENRMBZOOFA-CJNGLKHVSA-N 315.421 3.371 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1coc2ccccc12 97001974 BLMREVPZJUKPNR-GFCCVEGCSA-N 301.342 3.292 0 40 DGAB CCn1cc(CN2CCC(OCc3ccc(F)cc3)CC2)cn1 97051445 CTQSUHVFJREPCE-UHFFFAOYSA-N 317.408 3.223 0 40 DGAB Cc1ccc(NC(=O)Nc2ccn(C)n2)cc1OCC(F)F 97099389 YVRJRYFPCHISAL-UHFFFAOYSA-N 310.304 3.016 0 40 DGAB CC1(NC(=O)N[C@@H](c2ccccc2)C(F)(F)F)CCOCC1 97100135 OXTAOJZEILVNHX-LBPRGKRZSA-N 316.323 3.158 0 40 DGAB CC(=O)Nc1cc(NCCc2ccc3c(c2)CCO3)ccc1F 97235014 SVEKUYQTFDTKCU-UHFFFAOYSA-N 314.360 3.374 0 40 DGAB Cc1cc(C)nc(NCc2cc(Cl)c3c(c2)OCCO3)n1 97286519 GAOMDEQIYSLRKX-UHFFFAOYSA-N 305.765 3.130 0 40 DGAB C[C@H](SC(=S)N1CCCC1)C(=O)N[C@@H]1CCCC[C@@H]1C 195580638 MDHIUKYGAOAUCQ-RWMBFGLXSA-N 314.520 3.184 0 40 DGAB O=C(NCC[C@@H](CCO)c1ccccc1)c1ccc(F)cc1F 206625006 LHEDOHUCGHNTLL-AWEZNQCLSA-N 319.351 3.251 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc(OC)c(C)c2)c1C 224278574 VFFUTTDCHOVHFO-UHFFFAOYSA-N 313.353 3.351 0 40 DGAB COc1ccc(CC(=O)NCCSc2ccccc2)cc1C 225087791 LKGZQXQSPNEZIL-UHFFFAOYSA-N 315.438 3.455 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccc(F)c2)C1 225728391 VDBOTHRHRAPMRI-OKILXGFUSA-N 323.481 3.480 0 40 DGAB Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c2cc(F)ccc21 225749291 MCDIOCYXTHOSTR-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1N[C@H](C)CC 226103774 BFXIJLZCFLRHNI-LLVKDONJSA-N 314.389 3.113 0 40 DGAB CC[C@H](C)NC(=O)CCCn1cc(-c2ccc(OC)cc2)cn1 227166095 HHNJQTYOAVWDMM-AWEZNQCLSA-N 315.417 3.254 0 40 DGAB Cc1cnc(CN2CCC(C)(c3ncc(C)s3)CC2)cn1 257302384 SCSMWFMIEFQHLB-UHFFFAOYSA-N 302.447 3.104 0 40 DGAB CO[C@H](C(=O)NCCSc1ccccc1)c1ccccc1 338186948 UJYIGBLZQSWXTE-INIZCTEOSA-N 301.411 3.283 0 40 DGAB O=C(NC1CCC(F)(F)CC1)c1cncc(Br)c1 341538216 FKRFWNXGJMBXLA-UHFFFAOYSA-N 319.149 3.152 0 40 DGAB C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccccc1 408713463 ZTSWZIJGDUFIOI-CYBMUJFWSA-N 306.365 3.030 0 40 DGAB Cc1cnc(-c2noc(-c3cc(C4CCCCC4)[nH]n3)n2)nc1 545013670 UKNQQBHFQVWICG-UHFFFAOYSA-N 310.361 3.273 0 40 DGAB O=C(N[C@@H]1C[C@H]1Cc1ccccc1)c1cc(O)nc(C2CC2)c1 547780761 HDWCXRXENIPZAC-RHSMWYFYSA-N 308.381 3.026 0 40 DGAB C[C@@H](CN(C)[C@H](C(=O)O)c1ccc(F)cc1)c1nccs1 567595875 RAIOMJKQAIKTKV-GWCFXTLKSA-N 308.378 3.143 0 40 DGAB COC(=O)c1ccc(C(F)(F)F)c(O[C@H](F)C(F)F)c1 642887174 URKOBQRLBOGONG-VIFPVBQESA-N 302.170 3.432 0 40 DGAB CCc1nc([C@H]2CCCCN2Cc2c(F)cncc2F)no1 929307920 YFZWHVKOJLEJFF-CYBMUJFWSA-N 308.332 3.032 0 40 DGAB CC(C)(C)CN(C(=O)c1nnc2ccccc2n1)c1ccccn1 1518251145 XLLZRWTWGJWVOT-UHFFFAOYSA-N 321.384 3.113 0 40 DGAB C[C@H](c1ccco1)N(C(=O)c1[nH]nnc1-c1ccccc1)C1CC1 1548525568 SSEKBSNZAFWCAK-GFCCVEGCSA-N 322.368 3.431 0 40 DGAB Fc1cccc2sc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)nc12 2070376348 OJSMROXDFFDMSL-TXEJJXNPSA-N 317.433 3.356 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(c2ncccc2F)CC1 2086934960 PDBKNUGDOUBOCM-UHFFFAOYSA-N 306.768 3.362 0 40 DGAB Cc1ccc(C)n1-n1cnc2scc(-c3ccco3)c2c1=O 38261 CVKUKRKUHJKHJS-UHFFFAOYSA-N 311.366 3.448 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccc(Cl)cc2)Cc2ccccc21 107363 RPFDBBIEIYYIBH-AWEZNQCLSA-N 301.729 3.060 0 40 DGAB COc1ccc([C@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 531664 AZOSMKBVNQSFIF-HZPDHXFCSA-N 321.384 3.015 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1ccccc1 800663 AUBHUBBMCUYISU-UHFFFAOYSA-N 316.360 3.116 0 40 DGAB COc1cc2ncnc(NCc3cccs3)c2cc1OC 1405367 SZXQNJNKRNPSJD-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB O=C(COC(=O)c1cccc(F)c1)Nc1ccc(Cl)cc1 1934085 XOGVBLQUAQVMMP-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1ccn2cc(CCNC(=O)c3ccc(Cl)cc3)nc2c1 2960897 VKHMCOAATHJRHY-UHFFFAOYSA-N 313.788 3.269 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2ccccc2Cl)c1 3559101 YSYMWPNXUQUKGZ-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1C 4173606 UGHVKKXOWDLSOH-ZUOZUFPHSA-N 315.413 3.228 0 40 DGAB CCSc1ccccc1C(=O)Nc1nnc(COC)s1 4696331 HEFIHVFBEQYYKS-UHFFFAOYSA-N 309.416 3.049 0 40 DGAB Cc1cc(C)c(C)c(S(=O)(=O)n2ccnc2C(C)C)c1C 4747072 RATDJECORNFXSM-UHFFFAOYSA-N 306.431 3.477 0 40 DGAB CCc1c(Oc2ccc(Cl)cc2)nc2n(c1=O)CCS2 5244072 DKOYCTZWZFDGBL-UHFFFAOYSA-N 308.790 3.357 0 40 DGAB CCCC(=O)C[C@@H](C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 5781591 WDNIRTXOFGWTEX-XUXNNNHQSA-N 319.445 3.036 0 40 DGAB COc1ccc(C)c(NS(=O)(=O)c2ccc(Cl)cc2)c1 6270315 VSTMNYJUSWVWJZ-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CN(C(=O)CCn1cc(Cl)cn1)C12CC3CC(CC(C3)C1)C2 6490366 NDYNJZGAKKHKBW-UHFFFAOYSA-N 321.852 3.354 0 40 DGAB C[C@@H](CCCNC(=O)c1ccccc1)CNC(=O)c1ccccc1 6794608 QMBQJKNEMAWLKA-INIZCTEOSA-N 324.424 3.263 0 40 DGAB CN1c2ccccc2C(=O)N[C@H]1c1ccc(OC(F)F)cc1 6911180 IPGHJGSINTVCSM-CQSZACIVSA-N 304.296 3.166 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 8314616 IGBGWDSETAOPBN-WBVHZDCISA-N 318.461 3.382 0 40 DGAB COc1ccc(OC)c(CSc2nnc3ccccn23)c1 8877278 VCNNCJYIIDSEQS-UHFFFAOYSA-N 301.371 3.039 0 40 DGAB CCCCCNC(=O)C(=O)Nc1ccc(OCCCC)cc1 9232698 DMLIYGSSNWKHPD-UHFFFAOYSA-N 306.406 3.110 0 40 DGAB O=C(Cn1ccccc1=O)Nc1ccc(-c2ccccc2)cc1 9723592 NWSVEOHKOCGDLK-UHFFFAOYSA-N 304.349 3.154 0 40 DGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(Cl)c1 9747546 LSQUQNXVESKPFC-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB Cc1cc(C)cc(COC(=O)c2ccc(S(C)(=O)=O)cc2)c1 9838443 CMUVQYQSNJWFJF-UHFFFAOYSA-N 318.394 3.064 0 40 DGAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccc(F)cc1 10762601 KHNPICBYJXKMDA-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB COc1c(Cl)cc(Cl)cc1/C=C1\SC(=N)NC1=O 12417995 XPUQRLFZNKYCJV-BAQGIRSFSA-N 303.170 3.141 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc(C(N)=O)cc2)cc1Cl 12605419 AOQDUEFHUYYXPN-UHFFFAOYSA-N 316.788 3.319 0 40 DGAB CCn1c(CCCNC(=O)Cc2ccccc2)nc2ccccc21 13031038 UNKPQOCIZFYSPJ-UHFFFAOYSA-N 321.424 3.348 0 40 DGAB CCC(C)=C1[C@H]2C=C[C@@H]1[C@H]1C(=O)N(c3ccccc3F)C(=O)[C@H]21 13800906 AFCXYLNPPATXIV-CZAMWMTLSA-N 311.356 3.474 0 40 DGAB COc1ccc(C(=O)Nc2cc(OC)ccc2OC)c(F)c1 14021523 VLJQNKOPPUQEIQ-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)C1(c2ccccc2)CC1 14076112 NOROATUKJDPYAH-UHFFFAOYSA-N 324.380 3.324 0 40 DGAB COc1ccc(NC(=O)[C@H](C)N(C)Cc2ccco2)cc1Cl 14933293 OLJXHJJKURHIPF-NSHDSACASA-N 322.792 3.401 0 40 DGAB O=C(Oc1ccc(Br)cc1Cl)c1cnccn1 15656839 XNLOTEGRTIYTAK-UHFFFAOYSA-N 313.538 3.112 0 40 DGAB O=C(NCCOc1ccccc1)c1cccc(Br)c1 16009517 MKSHZLRDNWKFNI-UHFFFAOYSA-N 320.186 3.258 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)c3ccc(Cl)cc3)ccc21 16916473 HPSBQWKGUGHKMV-UHFFFAOYSA-N 300.745 3.111 0 40 DGAB Cc1nc2ccccc2n1CCNc1ncnc2sccc12 18061674 POMCNLWHPSGHQB-UHFFFAOYSA-N 309.398 3.462 0 40 DGAB Cc1ccc(S(=O)(=O)Cc2nc(-c3ccccc3)no2)cc1 23125795 VAGNXIKYOJCPOP-UHFFFAOYSA-N 314.366 3.019 0 40 DGAB COc1cccc(NC(=O)CCc2nnc(-c3ccccc3)o2)c1 23175250 MPWMHTCFGGBCJX-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB Cc1cc(C)n(CCCNC(=O)Cc2c(F)cccc2Cl)n1 23246323 NHTKYIBOCGIKGC-UHFFFAOYSA-N 323.799 3.041 0 40 DGAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1 24613339 QHTZCKBRSHRAGF-CQSZACIVSA-N 311.381 3.268 0 40 DGAB O=C1C[C@@H](C(=O)Nc2nc(C3CC3)cs2)c2ccccc2N1 26051978 QUMPMCDXAHVGRM-LLVKDONJSA-N 313.382 3.085 0 40 DGAB NC(=O)[C@@H](Nc1ccc2oc(C3CC3)nc2c1)c1ccccc1 27042460 IITJWXZONPNPRD-INIZCTEOSA-N 307.353 3.344 0 40 DGAB COc1ccc(OCCCC(=O)N[C@H](C)c2ccncc2)cc1 27405131 YRCNZKMYEDZMPJ-CQSZACIVSA-N 314.385 3.127 0 40 DGAB CCCc1noc([C@H](C)OC(=O)c2[nH]c(C)c(C(C)=O)c2C)n1 27589180 IWIIDXIJDIYXSX-NSHDSACASA-N 319.361 3.088 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)C1 27969703 UBQBPGLGDHYHCQ-ZDUSSCGKSA-N 317.820 3.457 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(COc2ccc3c(c2)OCO3)o1 28229429 CZMXLIBVMUHRFW-LLVKDONJSA-N 317.341 3.116 0 40 DGAB COc1ccc(CC(=O)Nc2cc(-c3ccccc3)n[nH]2)cc1 28304938 OZVSUXAMAZHFHC-UHFFFAOYSA-N 307.353 3.267 0 40 DGAB C[C@@H](NC(=O)COc1ccccc1C(F)(F)F)c1cccnc1 28893802 SYLCKJIRDUHTQT-LLVKDONJSA-N 324.302 3.357 0 40 DGAB CNC(=O)c1ccc(/C=C/C(=O)N2c3ccccc3C[C@H]2C)cc1 32755080 ZNDDRQWGFMJUAX-BRADTZPFSA-N 320.392 3.037 0 40 DGAB CC(C)[C@@H](NCc1nnnn1-c1ccccc1)c1cccs1 32764877 BFLNIWFUIYGQTM-MRXNPFEDSA-N 313.430 3.211 0 40 DGAB CCCCc1noc([C@H]2CCCN(C(=O)c3ccco3)C2)n1 41122493 YALQMHQKEMOUNK-LBPRGKRZSA-N 303.362 3.025 0 40 DGAB FC(F)(F)c1nnc2ccc(N[C@@H]3CCc4ccccc43)nn12 48333110 AIUMOEPEGHEDAV-LLVKDONJSA-N 319.290 3.243 0 40 DGAB CCNc1nnc(SC[C@@H](O)c2cc(F)ccc2F)s1 48545526 AMJUCUUUHDLHNS-SNVBAGLBSA-N 317.386 3.074 0 40 DGAB C[C@H](NC(=O)CCC(=O)c1ccccc1)c1nc2ccccc2[nH]1 57743847 ZQYJQWYFOGCGPE-ZDUSSCGKSA-N 321.380 3.403 0 40 DGAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCn1cccn1 58407735 YLYANHOGJUKYHN-AWEZNQCLSA-N 322.412 3.291 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3cccnc3)C2)c1 62555837 RUIJBSUYOGRPTA-MRXNPFEDSA-N 310.397 3.321 0 40 DGAB CC(C)n1c(N)nnc1SCc1cn2cc(Cl)ccc2n1 62801229 WWTUCUVUJJGBFW-UHFFFAOYSA-N 322.825 3.035 0 40 DGAB CCCN1CCC(NC(=O)C2(c3cccc(C)c3)CC2)CC1 65587175 WYRAZDRWMYVFIJ-UHFFFAOYSA-N 300.446 3.017 0 40 DGAB CN(C(=O)c1cccc(Cl)c1)c1ccc(S(C)(=O)=O)cc1 67656516 MQGBKZBWHFVENX-UHFFFAOYSA-N 323.801 3.020 0 40 DGAB O=C(Nc1ccc(F)cc1)C1CCN(Cc2cccnc2)CC1 69532764 SULYRLALXQVPIF-UHFFFAOYSA-N 313.376 3.071 0 40 DGAB FC(F)(F)Cn1cnnc1SCCCOc1ccccc1 71847872 NMZKNIYUKLYROB-UHFFFAOYSA-N 317.336 3.402 0 40 DGAB CC(C)(C)c1nc(CC(=O)NCc2ccc(O)c(F)c2)cs1 71915909 MPSQMLOZFMBCPF-UHFFFAOYSA-N 322.405 3.144 0 40 DGAB N[C@H]1C(=O)N(c2ccc(Cl)cc2)[C@@H]1c1ccccc1Cl 72227972 CCUIYCTZMBUXPJ-ZIAGYGMSSA-N 307.180 3.409 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 72235678 TUNJQUWJQORMJI-INIZCTEOSA-N 315.392 3.425 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)N1CCC(N2CCCC2)CC1 72271078 JSONSBZVPVZGMP-UHFFFAOYSA-N 312.417 3.260 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccsc1)c1ccc2[nH]c(=O)oc2c1 72283795 JPFRFYNAWTUPQT-CQSZACIVSA-N 316.382 3.310 0 40 DGAB Cc1ccc(C2=CCN(CC(=O)N3CCc4ccccc43)CC2)o1 72342297 SUPXJCBUMVPJSA-UHFFFAOYSA-N 322.408 3.266 0 40 DGAB CCn1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)c(C)n1 72346732 FDRFPHOFAUOQRU-MRXNPFEDSA-N 323.400 3.065 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(-c2ccccc2)[nH]c1=O 72451304 VXTKORNLULIRKP-UHFFFAOYSA-N 308.312 3.433 0 40 DGAB Cc1cccnc1CNC(=O)NC[C@H](C)Cc1cccs1 74106139 CQIHZOIQTIHERG-GFCCVEGCSA-N 303.431 3.130 0 40 DGAB CCn1cc(C(=O)Nc2ccc(OCc3ccncc3)cc2)cn1 74566489 FDUWGXCOIYLJEL-UHFFFAOYSA-N 322.368 3.129 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nc2ccc(C(=O)O)cc2)cc1 75288740 ZCUACQHMTYYDSN-UHFFFAOYSA-N 311.337 3.295 0 40 DGAB CS[C@@H](C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 75884046 MGYMSCZPJAAPNE-QMMMGPOBSA-N 301.795 3.191 0 40 DGAB CC(C)C(=O)N1CC[C@@H](NCc2cccc3[nH]ccc23)[C@H](C)C1 76057583 LIYAOAANQPSUKT-RHSMWYFYSA-N 313.445 3.151 0 40 DGAB O=C(c1cnc(-c2ccsc2)s1)N1CCCSCC1 78998924 XUVMGRAYAHHWSY-UHFFFAOYSA-N 310.469 3.451 0 40 DGAB C[S@@](=O)C[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 79015861 GUTGDWDGXCSOHH-QRQCRPRQSA-N 320.389 3.067 0 40 DGAB COc1ccc(-c2csc(CNCc3nccn3C)c2)cc1 80249813 IOBXTWYKDTUUIR-UHFFFAOYSA-N 313.426 3.447 0 40 DGAB Cc1ccccc1CCCN1CCC(N2CCCC2=O)CC1 84677668 KXLXLFSCHNHSSG-UHFFFAOYSA-N 300.446 3.014 0 40 DGAB CCc1nc2n(n1)CCC[C@@H]2NC(=O)NC1CCCCCCC1 87024545 FOBBQJQKNZKWJW-AWEZNQCLSA-N 319.453 3.088 0 40 DGAB Cn1ccnc1CNC(=O)N(C1CC1)[C@@H]1CCCc2ccccc21 89761439 IPWUYQSUAIGCMH-QGZVFWFLSA-N 324.428 3.172 0 40 DGAB CC(C)(C)c1nccc(N2CCOC[C@H]2Cc2ccccc2)n1 89761528 KYJPXLNEKDMFIT-MRXNPFEDSA-N 311.429 3.222 0 40 DGAB Cc1ccc2c(CC(=O)NC[C@H]3CCO[C@@H](C)C3)coc2c1 95457835 PXZUSPUYRPUXEL-KBPBESRZSA-N 301.386 3.215 0 40 DGAB CO[C@@H](CNC(=O)c1nc2ccccc2s1)c1ccsc1 96103330 LTOAOIQYSLZXRF-LBPRGKRZSA-N 318.423 3.475 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)NCc2ncccc2C)C1 96452347 RBJUZOOJPFERCT-KGLIPLIRSA-N 307.463 3.254 0 40 DGAB O[C@H](CNCc1c[nH]nc1-c1cccs1)c1ccc(F)cc1 97139685 JTXSHJXNBIAWIO-CQSZACIVSA-N 317.389 3.101 0 40 DGAB C[C@@H](Nc1cnn(CC(F)F)c1)c1nc2ccccc2n1C 97231532 UWJHOOMLVINUJK-SNVBAGLBSA-N 305.332 3.208 0 40 DGAB C[C@@H](NC(=O)N[C@@H](C1CCCC1)C(F)(F)F)C1CCOCC1 97377911 IAHNDYFCEOUIDT-MFKMUULPSA-N 322.371 3.222 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106765746 RAKBHFXWPFLINI-IHRRRGAJSA-N 310.401 3.247 0 40 DGAB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N[C@@H](C)c1cccs1 195531583 JFAKIHSRALTZPJ-SGMGOOAPSA-N 312.504 3.141 0 40 DGAB Cc1ccc(NC(=O)C[C@H](C)CC(=O)Nc2ccccn2)cc1 199411984 LAOQMBUJJWNSBM-AWEZNQCLSA-N 311.385 3.384 0 40 DGAB CO[C@H](CNC(=O)c1ccc2ncsc2c1)c1ccco1 206859715 RNZOMLJUSGUMQM-CYBMUJFWSA-N 302.355 3.007 0 40 DGAB O=C1[C@@H]2[C@H](C(=O)N1c1nccs1)[C@@H]1C[C@@H](c3ccccc3)[C@H]2C1 222398937 SKUIOZKPGFUHDJ-KHMAMNHCSA-N 324.405 3.072 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2)c1C 224429956 ZNEVVSDHHYFEFJ-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)c2cccc(F)c2)cc1 224596520 HHMQNHAYJFJSOF-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB COc1ccccc1C[C@@H](Oc1cc(C)cc(C)c1)C(=O)O 225096784 WEQBNCXWFGMJDJ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB S=C(NCc1ccncc1)Nc1ccc2sncc2c1 225172888 IHDWVYPJMHRSOX-UHFFFAOYSA-N 300.412 3.178 0 40 DGAB CC(C)(C)c1ccc(C(=O)N[C@@H]2CC[C@H]3OCCO[C@H]3C2)cc1 253403386 PTDMRSHXOPZQEL-ZACQAIPSSA-N 317.429 3.050 0 40 DGAB O[C@H]1CCCOC12CCN(Cc1ccc3ccccc3c1)CC2 257204615 AVNIIKOTKZLNMH-IBGZPJMESA-N 311.425 3.346 0 40 DGAB CN(C)c1cc([C@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257266436 MCZWCTBPBOGQJI-OAHLLOKOSA-N 315.442 3.115 0 40 DGAB CCN(C(=O)C[C@H](C)Cc1cccc(F)c1)c1cnn(C)c1 585091174 UXQOUOUADOTLGF-CYBMUJFWSA-N 303.381 3.181 0 40 DGAB Cc1cncc(N2CCC[C@H](COc3ncccc3Cl)C2)n1 2298187875 OOBGPTWFGOZLMZ-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB O=C1c2ccccc2S(=O)(=O)N1Cc1cccc2ccccc12 93625 LOBPVRSJGPRVFC-UHFFFAOYSA-N 323.373 3.185 0 40 DGAB Cc1ccc([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 105130 AATJFFJZXDUIAL-SJORKVTESA-N 306.365 3.165 0 40 DGAB biogenic Nc1nccc(-c2cc(-c3cccc(C(F)(F)F)c3)no2)n1 124103 BFSRVFMHEKYHRC-UHFFFAOYSA-N 306.247 3.400 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1cc(C)ccc1C 148395 SQMABKOFWNKIRP-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)n1ccc(C)n1 384739 KEXNFQKERKFIEG-UHFFFAOYSA-N 322.430 3.125 0 40 DGAB COc1ccc(OC)c(-c2csc(NC[C@H]3CCCO3)n2)c1 413989 WJFHNOAHJONGLK-GFCCVEGCSA-N 320.414 3.418 0 40 DGAB COC(=O)[C@H](NC(=O)c1cc(Cl)cc(Cl)c1)C(C)(C)C 1389523 QPCUCFVGBAHPGL-NSHDSACASA-N 318.200 3.311 0 40 DGAB O=C(Nc1ccccc1)c1cccn(Cc2ccccc2)c1=O 1391152 FRGOIOYXCQCGET-UHFFFAOYSA-N 304.349 3.149 0 40 DGAB Cc1ccc(NC(=O)[C@H]2Cc3ccccc3C(=O)O2)cc1Cl 1887464 FMYNGGPPMLGVQS-OAHLLOKOSA-N 315.756 3.369 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)c1 1960530 XQVUVXGRPZPWQJ-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=S(=O)(NC1CCCCC1)c1ccc(Br)s1 2602247 VSTKBQITYZAPLY-UHFFFAOYSA-N 324.265 3.122 0 40 DGAB CC[C@H](C(=O)NCCc1cn2ccc(C)cc2n1)c1ccccc1 2960938 UWWNKYCSTRTYIS-SFHVURJKSA-N 321.424 3.495 0 40 DGAB CCOc1ccc(NC(=O)CNc2ccc(C(C)=O)cc2)cc1 3376876 AIXWJEVOMGZCKY-UHFFFAOYSA-N 312.369 3.339 0 40 DGAB O=C(CSc1ccccc1Cl)NC(=O)NCc1ccco1 3380585 AICMTGQASNVLIW-UHFFFAOYSA-N 324.789 3.051 0 40 DGAB C[C@H](NC(=O)COC(=O)/C=C/c1ccccc1)c1ccccc1 3391021 ZCNKTSMASNYOLB-LHNRBYRGSA-N 309.365 3.120 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(F)cc2F)cc1 3435298 ZSLMBMLWLXIURL-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB O=C(COC(=O)c1ccc2ccccc2c1O)Nc1ccccc1 3439121 PCWCWCQSNWKRJO-UHFFFAOYSA-N 321.332 3.341 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N2CCc3ccccc32)cc1 3564621 YPABREIRSQHEAX-UHFFFAOYSA-N 309.365 3.247 0 40 DGAB Nc1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1 3885378 YVKDNDJJRCHLJY-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB O=C(O)[C@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1 4407284 SURFXRHLXJAOSD-ZBFHGGJFSA-N 313.378 3.028 0 40 DGAB CCSc1nsc(NC(=O)Nc2cccc(OC)c2)n1 4898334 NAPMVEDRRXPHAP-UHFFFAOYSA-N 310.404 3.303 0 40 DGAB COc1cc(NC(=O)c2cccs2)ccc1N1CCCC1=O 5440299 GHHXBXFNOMWFQH-UHFFFAOYSA-N 316.382 3.136 0 40 DGAB CCCCC1=N[C@@H]2Sc3c(NN)ncnc3[C@H]2C2=C1CCC2 6309869 QZTDZQSWEYDDAF-MLGOLLRUSA-N 315.446 3.403 0 40 DGAB COc1ccc(CCN[C@@H](C)CC(=O)Nc2ccccc2)cc1 6787569 BMSYDFMKNBTHTK-HNNXBMFYSA-N 312.413 3.245 0 40 DGAB Cc1ccccc1NC(=O)Cc1ccc(N2CCCC2=O)cc1 7914910 XUNBXADQLORFJA-UHFFFAOYSA-N 308.381 3.303 0 40 DGAB O=C(Nc1ccccc1)OC[C@H]1CN(c2ccccc2)C(=O)O1 8716954 DABUYPXXIPFBLS-OAHLLOKOSA-N 312.325 3.261 0 40 DGAB Cn1ccnc1SCC(=O)Nc1ccccc1C(C)(C)C 9115633 BZYIJPCNEPQYJE-UHFFFAOYSA-N 303.431 3.448 0 40 DGAB Nc1nc(CSc2ncnc3ccccc23)nc2ccccc12 9217379 KJYKESHQLQHNLW-UHFFFAOYSA-N 319.393 3.448 0 40 DGAB O=C(NCc1cccnc1)c1c[nH]nc1-c1ccc(Cl)cc1 9219891 BNLWOKPCOPBKHU-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB O=C(COc1ccc2nccnc2c1)Nc1ccc(Cl)cc1 9553317 PQDXHCRXHDTDRQ-UHFFFAOYSA-N 313.744 3.301 0 40 DGAB Cc1cccc(NC(=S)NC[C@H]2CCCN(C)C2)c1Cl 9876203 NQWAJPSIGQGFEG-GFCCVEGCSA-N 311.882 3.277 0 40 DGAB COc1ccccc1C(=O)NCCSCc1ccccc1 10039275 LRXXYOSCAPYGBB-UHFFFAOYSA-N 301.411 3.358 0 40 DGAB COc1ccc([C@@H]2Nc3ccccc3C3=NCCCN32)cc1OC 12144184 BOOFBLOTAIORIX-GOSISDBHSA-N 323.396 3.280 0 40 DGAB CN1O[C@H](COC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 12338564 LTTXAJCOWRSHBG-DLBZAZTESA-N 315.344 3.360 0 40 DGAB COc1ccc([C@@H]2CC(=O)Nc3ccsc32)c(OC)c1OC 12420143 WDKGYKAGCYUMHX-JTQLQIEISA-N 319.382 3.248 0 40 DGAB COC(=O)CCCCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 12919499 PIUJWHWRQCYAJA-GFCCVEGCSA-N 323.458 3.336 0 40 DGAB CCCCNC(=O)OCc1cnc(C)n1Cc1ccccc1 13281744 LQDBKQPWWLYQFB-UHFFFAOYSA-N 301.390 3.266 0 40 DGAB COc1ccc(C(=O)NCCCc2ccc(C)cc2)cc1OC 13649029 VZDWKHZOQJOELU-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB COc1ccc(/C=C/C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1OC 17030977 DOFNLCXGUFDUKO-FZBZROKSSA-N 303.402 3.222 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 17053402 VVTYZBMMOYMALJ-AXMLXZGRSA-N 315.413 3.173 0 40 DGAB CCOc1ccc2oc(C(=O)N3C[C@H](C)O[C@H](C)C3)c(C)c2c1 17918850 UIEJUIIJOBAHEG-TXEJJXNPSA-N 317.385 3.389 0 40 DGAB O=C(Nc1nc(CN2CCc3ccccc3C2)cs1)C1CC1 21681256 ARGYNBZPMYEILL-UHFFFAOYSA-N 313.426 3.050 0 40 DGAB Cc1ccccc1NCC(=O)N1c2ccccc2NC(=O)C[C@@H]1C 22690327 IRFJKIJDEGJIGT-AWEZNQCLSA-N 323.396 3.171 0 40 DGAB CCOc1ncccc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24889563 BOSPLHSWBBDMFU-UHFFFAOYSA-N 308.341 3.123 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 25716623 YHJXMPQZBBSJGM-HOCLYGCPSA-N 313.397 3.478 0 40 DGAB CC(C)(C)c1nc(CSc2nnc(NC3CC3)s2)no1 28014084 DAPNEHUPAKQRGH-UHFFFAOYSA-N 311.436 3.085 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 28844135 GWVWVIJQPSTPQY-CYBMUJFWSA-N 305.422 3.091 0 40 DGAB CCOC(=O)c1ccc(NC[C@H](O)c2ccc(Cl)cc2)nc1 29525791 AKTPEZZWMZQTPQ-AWEZNQCLSA-N 320.776 3.057 0 40 DGAB Cc1ccc(OCc2nc(CC(=O)NCC(C)C)cs2)cc1 32196894 RJVOLVUMZKPDAN-UHFFFAOYSA-N 318.442 3.345 0 40 DGAB CCN(C(=O)[C@@H]1CCCN(c2ncccn2)C1)c1ccccc1C 32464736 KVBYHLKSSVDLSP-MRXNPFEDSA-N 324.428 3.055 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CC(C)(C)CC(=O)O 32496810 FFBNZZCFWSMMRU-UHFFFAOYSA-N 313.781 3.487 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 32833227 GFOHGGBVAPVYRB-UHFFFAOYSA-N 318.333 3.147 0 40 DGAB CC[C@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccc(C)cc1 36616138 ZAFJGFFSPZVIFJ-KRWDZBQOSA-N 322.412 3.466 0 40 DGAB O=C(Nc1cccc2nsnc12)c1cc(-c2ccco2)on1 36709828 VSXIKQYNYVGJDT-UHFFFAOYSA-N 312.310 3.192 0 40 DGAB COc1cccc(C(=O)NCc2ccc(-n3ccnc3C)cc2)c1 38752883 XQLIUYNBRVGPGL-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB CCS(=O)(=O)c1ccccc1NC(=O)c1ccccc1Cl 40510037 YIADCFSJSHVOBK-UHFFFAOYSA-N 323.801 3.386 0 40 DGAB CC[C@H](C)c1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123213 BRKKGXKFYZPXAQ-GXTWGEPZSA-N 305.422 3.479 0 40 DGAB Cc1ccc(CN(C(=O)NCc2csc(C)n2)C2CC2)o1 45343059 MXSVLNYVQXXITH-UHFFFAOYSA-N 305.403 3.227 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)c2c(F)cccc2F)cn1 47385276 ZNVHNNJLFFQRQP-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB O=C(NCc1ccco1)Nc1ccc(OC(F)F)c(F)c1 47713764 HHFLKSZTMPGUTE-UHFFFAOYSA-N 300.236 3.342 0 40 DGAB Cc1cc(C(=O)Nc2ccc(N(C)C)cc2C)c2c(C)noc2n1 48344626 RXHMTDPURYXZAR-UHFFFAOYSA-N 324.384 3.466 0 40 DGAB O=C(NCCCn1ccnc1)c1cccc2c3c([nH]c12)CCCC3 48383727 GDKIQIOTTILOGR-UHFFFAOYSA-N 322.412 3.063 0 40 DGAB c1ccc(Cc2nnc(SCc3noc(C4CC4)n3)o2)cc1 52888875 LESQFEXYPXOTGH-UHFFFAOYSA-N 314.370 3.213 0 40 DGAB C[C@H](c1ccccc1)N1CC[C@H](NC(=O)NC2CCCC2)C1 53749829 PFZHENLRFBQMPE-PBHICJAKSA-N 301.434 3.064 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)cc1 57019652 LYXNAFQKJIKRIP-KRWDZBQOSA-N 301.411 3.269 0 40 DGAB COc1ccc2c(CN(C)Cc3cccs3)cc(=O)oc2c1 57024640 ZUHWFQKXPADJFU-UHFFFAOYSA-N 315.394 3.495 0 40 DGAB C[C@@H]1CN(C(=O)CNc2ccc(Cl)cc2Cl)C[C@@H](C)O1 57525222 NOINLDCDBZIFFW-NXEZZACHSA-N 317.216 3.041 0 40 DGAB Cc1cc(NC(=O)CCCn2cccn2)ccc1Br 58050737 PVUPBQAUCYUZGY-UHFFFAOYSA-N 322.206 3.373 0 40 DGAB CN(CCCc1cc(-c2ccccc2)no1)C(=O)c1ccncc1 58333060 XIGQRTIWFSJKKW-UHFFFAOYSA-N 321.380 3.441 0 40 DGAB O=C(CCN1CCC(Cc2ccccc2)CC1)NC1CCCC1 60460282 JGMZTODPQIGFTM-UHFFFAOYSA-N 314.473 3.390 0 40 DGAB S=C(NCc1ccc(-n2cnc3ccccc32)cc1)NC1CC1 60837416 DJXOEWDBAFNMDE-UHFFFAOYSA-N 322.437 3.152 0 40 DGAB O=C(c1cccc2c1OCCO2)N1CCC[C@@H]1c1cccs1 67029941 UIEQGRCVSNJIQL-CYBMUJFWSA-N 315.394 3.497 0 40 DGAB C[C@H](Cn1cccn1)NCc1cn2cc(Cl)cc(Cl)c2n1 69389875 XOBDYYBTLAHONS-SNVBAGLBSA-N 324.215 3.016 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)[C@@H]2C[C@H]2c2ccccc2)cc1 69557467 BNJDYKVDXZRZAM-RBUKOAKNSA-N 322.408 3.107 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](n2ccnc2)C1 69660232 YLCKVTOVRUKZCJ-AEFFLSMTSA-N 309.413 3.167 0 40 DGAB CC[C@@H](C)[C@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 69843313 WSSJZWMENZRKBB-WBVHZDCISA-N 317.429 3.182 0 40 DGAB O=C(Nc1nnc(CC2CCCC2)s1)c1ccnc(F)c1 70009923 SVLGHJZXGAGJCD-UHFFFAOYSA-N 306.366 3.057 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)[C@@H]2CCc3ccccc32)n1 71870304 YIDZHHXHRRECPH-IEBWSBKVSA-N 323.440 3.221 0 40 DGAB CCN(C)c1ccccc1NC(=O)Cc1sc(S)nc1C 71896711 KWPWSPIHXBWDLO-UHFFFAOYSA-N 321.471 3.378 0 40 DGAB CC(C)(C)OC(=O)NCCCCC(=O)c1cccnc1S 72217101 OPSBUDVVWNQSLH-UHFFFAOYSA-N 310.419 3.248 0 40 DGAB CN1CCN(Cc2ncc(Cl)n2C)c2cc(Cl)ccc21 72309446 PKASKWQNDQORJD-UHFFFAOYSA-N 311.216 3.183 0 40 DGAB c1ccc(CN2CCC(Nc3ccc4cc[nH]c4n3)CC2)nc1 72425185 SGFDHUKOGTYTJZ-UHFFFAOYSA-N 307.401 3.034 0 40 DGAB O=C(CCc1ccccc1)NC[C@@H](O)c1ccccc1Cl 77631236 RSNNKCSNKKXUHK-MRXNPFEDSA-N 303.789 3.122 0 40 DGAB CCO[C@@H](C)C(=O)N[C@H](CC)c1nc(C(F)(F)F)cs1 78950862 YQUOCQCPCFTDKD-JGVFFNPUSA-N 310.341 3.154 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)Nc2ccccc2N(C)CC)C1 79306225 ALCFVPJWQNKTOU-OAHLLOKOSA-N 319.449 3.423 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCOC2)c(C(F)(F)F)c1 84621961 FFNSPDXIYZPFSW-SNVBAGLBSA-N 317.307 3.468 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)C1 84811831 SAMHZNHMEZRASU-MGPQQGTHSA-N 322.478 3.321 0 40 DGAB O=C(COC1CCCC1)Nc1cc(F)cc(N2CCCC2)c1 95393777 KUEOSRRRIDJDRP-UHFFFAOYSA-N 306.381 3.324 0 40 DGAB CCOc1cc(Cl)ccc1CN[C@@H](C(N)=O)c1ccccc1 95435013 KSJSDYDDPPHQGV-MRXNPFEDSA-N 318.804 3.055 0 40 DGAB C[C@H](C(=O)N[C@@]1(C)CCc2ccccc2C1)C1CCOCC1 95439595 GUECHZVALNAWRM-LIRRHRJNSA-N 301.430 3.113 0 40 DGAB CC/C=C(\CCC)C(=O)N1CCN(c2nc(C)cs2)CC1 95441933 QKASGZIVVDQWRF-MKMNVTDBSA-N 307.463 3.237 0 40 DGAB O=C(N[C@H](c1ccccc1)c1nc[nH]n1)c1cc2ccccc2o1 95467855 RXOMEAMLHMRSHG-MRXNPFEDSA-N 318.336 3.070 0 40 DGAB O=C(c1cc2occc2[nH]1)N1CCC[C@@H](NCc2ccccc2)C1 95979060 XKYXYMIJBKSXAQ-OAHLLOKOSA-N 323.396 3.155 0 40 DGAB CC(C)CN1CCC2(C=C(C(=O)NC3CC3)c3ccccc32)CC1 96241623 RLGQMCXIAQXXNW-UHFFFAOYSA-N 324.468 3.352 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(F)cc1OC(F)F 96435462 KBAONVFHACVDMZ-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB COc1ccncc1NC(=O)[C@@H](C)CCOc1ccccc1 96443665 JVYMBKQAWVYAFV-ZDUSSCGKSA-N 300.358 3.134 0 40 DGAB COc1c(CNc2ccc(Br)cc2)c(C)nn1C 96493985 SWVJRNXWLRDLAJ-UHFFFAOYSA-N 310.195 3.112 0 40 DGAB O=C(O)CCc1ccc(NC(=O)c2cc(F)cc(F)c2)cc1 97018935 MBAGUOYKHVLJTJ-UHFFFAOYSA-N 305.280 3.234 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNC1CCN(C[C@@H]2CCOC2)CC1 97098955 WNBOKGZMGSWSCE-LNLFQRSKSA-N 306.494 3.069 0 40 DGAB Cc1ccc(-c2nnco2)cc1NC(=O)c1ccc(O)cc1F 97232792 BQCHENJPRGSEKD-UHFFFAOYSA-N 313.288 3.142 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CC(=O)Nc1nocc1C 123913050 XANOXXAALZEIMV-ZDUSSCGKSA-N 300.358 3.440 0 40 DGAB OCc1nnc(SCc2ccc(F)c(Cl)c2)n1C1CC1 189118858 GRLCVFCSPVQGOX-UHFFFAOYSA-N 313.785 3.190 0 40 DGAB CS[C@@H]1CCC[C@H]1N(C)CC(=O)N[C@@H](C)c1cccs1 195531585 JFAKIHSRALTZPJ-OUCADQQQSA-N 312.504 3.141 0 40 DGAB COc1ccc(-c2nnc(-c3cnc(C4CC4)nc3C)o2)cc1 216612737 DHJBVUNYCUBWGE-UHFFFAOYSA-N 308.341 3.388 0 40 DGAB O=C(Cn1cccc1)N1CCS[C@@H](c2cccs2)CC1 219509507 TXLMMAXUDPRHQE-CQSZACIVSA-N 306.456 3.256 0 40 DGAB Cc1cccc(CN2CCC(C(=O)N[C@@H](C)C(C)C)CC2)c1 225219711 XIKJZCIZAXNCAY-INIZCTEOSA-N 302.462 3.368 0 40 DGAB Cn1cccc1CNC(=O)c1ccc2sc(Cl)nc2c1 225982801 RXYDZCSMIQKEDI-UHFFFAOYSA-N 305.790 3.218 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2csc3c2CCCC3)C1 257340924 ZICZWRQPUXFMCM-GFCCVEGCSA-N 315.442 3.288 0 40 DGAB c1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccco4)C[C@H]2C3)cc1 306125081 CGJWHTIQXRFTRA-IAGOWNOFSA-N 319.408 3.447 0 40 DGAB Cc1cc(Cl)c(C(=O)NC[C@H](CC2CC2)C(=O)O)cc1C 563261872 JFHROVONBBPFFF-LBPRGKRZSA-N 309.793 3.188 0 40 DGAB CC(C)c1ccc(OCC(=O)N[C@@H]2CCC23CCOCC3)cc1 585406628 CPFPVFJJPDCKMB-QGZVFWFLSA-N 317.429 3.264 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnoc2-c2cccc(F)c2)cc1 152015 YGJWRLNVNKHDET-UHFFFAOYSA-N 321.315 3.432 0 40 DGAB O=C1N(c2ccc3c(c2)OCCO3)[C@@H](c2ccccc2)C1(F)F 3186229 KBHFGNXRJODQIG-HNNXBMFYSA-N 317.291 3.181 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cccc(C)c2)nc1C 3205589 YQZMGEQXUFUQCO-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3cccc(C#N)c3)C[C@H]2C)c1 3353149 JKLWWOUQKBHMCZ-MRXNPFEDSA-N 319.408 3.218 0 40 DGAB CC1=C(C(=O)O[C@H]2CCC[C@H]2C)[C@@H](c2ccccc2)NC(=O)N1 4066375 WEMJGDCBIAOBRE-DIOULYMOSA-N 314.385 3.046 0 40 DGAB CC(C)c1ccc(Nc2nnc(S[C@@H](C)C(N)=O)s2)cc1 4835686 JHZRTZOOBGHDBA-VIFPVBQESA-N 322.459 3.371 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C 5110627 CLOCWBJYHSVCQD-WCFLWFBJSA-N 309.431 3.154 0 40 DGAB O=C1c2ccccc2C(=O)N1C[C@@H](c1ccco1)N1CCCCC1 5937973 ZELURUNUAWZVNL-INIZCTEOSA-N 324.380 3.103 0 40 DGAB O=C(NC12CC3CC(CC(C3)C1)C2)c1ccc2c(c1)OCCO2 5945488 ODUFTQDMFFCBRD-UHFFFAOYSA-N 313.397 3.156 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 6251796 LCVYVRHUHGHACD-CYBMUJFWSA-N 312.394 3.274 0 40 DGAB COc1ccc([C@@]2(C)NC(=O)N(CC3CCCCC3)C2=O)cc1 8272922 YLCUESLRYZIZEX-GOSISDBHSA-N 316.401 3.043 0 40 DGAB CC(C)c1ccccc1-n1ccnc1SCC(=O)NC1CC1 8479134 NHDUCGKDDZVVKJ-UHFFFAOYSA-N 315.442 3.366 0 40 DGAB COc1ccc2nc(C)c(CN3CCC[C@H](C)C3)c(O)c2c1 8585865 ABDCMLARYPYEPF-LBPRGKRZSA-N 300.402 3.489 0 40 DGAB COc1ccc(CC(=O)Nc2nonc2-c2ccc(C)cc2)cc1 8915712 RMCKBXBEJYGIAZ-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB CN1CCN(c2ccc(Cl)cc2NC(=O)C(C)(C)C)CC1 9471035 HRYSDVHXTSUCLH-UHFFFAOYSA-N 309.841 3.076 0 40 DGAB CN1C(=O)C(C)(C)COc2cc(NC(=O)CC(C)(C)C)ccc21 10971977 GWXRYCFTULFUCA-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)OCc1cccnc1 12634416 ZXHSSNHBFPPBCA-UHFFFAOYSA-N 310.357 3.073 0 40 DGAB O=C(c1cccnc1)[C@H](CCc1ccccn1)c1ccccn1 12943120 XBMDTOXOSDJIGO-QGZVFWFLSA-N 303.365 3.471 0 40 DGAB Cc1ccc(S[C@H](C)C(=O)NCCCN2CCCC2)cc1 13670595 NXDIFVNIZSSWSA-OAHLLOKOSA-N 306.475 3.078 0 40 DGAB C[C@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccn1 13708354 WWTMMAKRPHWINR-AWEZNQCLSA-N 306.365 3.319 0 40 DGAB COc1ccccc1CC(=O)Nc1cnc(-c2ccccc2)nc1 13985338 JDNAZBFKULNAQY-UHFFFAOYSA-N 319.364 3.333 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)NCCc1ccccc1 14123025 UNFFTUUAPJCIRJ-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(-c3cccnc3)n2C)cc1 14158895 AXWJIIAXHHMUTE-UHFFFAOYSA-N 324.409 3.161 0 40 DGAB O=C(NCc1ccccc1)c1nc(-c2ccc(Cl)cc2)no1 15082065 REMOLUMZIJYFDX-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)Nc3nccs3)n2)c1 15669998 FSIZXILBFUUZEO-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB Cc1nc(CNC(=O)c2ccccc2Br)cs1 15832160 SDLCZUWFIIDQNF-UHFFFAOYSA-N 311.204 3.144 0 40 DGAB COc1ccc(SCC(=O)N(C)c2ccccc2)cc1OC 20112390 BHXNFBOZTGBFKU-UHFFFAOYSA-N 317.410 3.459 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)o1 22246127 PGYRRVXPMAXMLS-IAQYHMDHSA-N 323.389 3.363 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1 24741578 JLLGLRNJFPKDSI-ZDUSSCGKSA-N 323.352 3.280 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)sc1C 29893524 FDJUBNYWVZEJBL-NSHDSACASA-N 318.446 3.174 0 40 DGAB CCOC(=O)C1CCN(C(=O)c2csc3c2CCCC3)CC1 32667751 DBFNRMRLDXYEQJ-UHFFFAOYSA-N 321.442 3.042 0 40 DGAB CCCN(C(=O)c1ccco1)c1nnc(-c2cccnc2)s1 35314038 OGPUECCKXGGTGC-UHFFFAOYSA-N 314.370 3.250 0 40 DGAB CCOC(=O)CCOc1ccc(Cl)cc1Br 36670994 WPOVXXKCERJHML-UHFFFAOYSA-N 307.571 3.435 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2ccc(C)cc2F)cc1 40098485 MTFYOIPBEHBRRV-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB CCCN1CCC(NC(=O)[C@H](C)Oc2ccc(C)cc2C)CC1 40488443 OCDIGQHXGRPFDQ-INIZCTEOSA-N 318.461 3.061 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2ccc(F)c(F)c2)cs1 40496352 NGBIJMAUADRTDR-UHFFFAOYSA-N 311.357 3.012 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)CC2CCCCC2)c1 45644226 LUULXWVFZSGANC-UHFFFAOYSA-N 304.390 3.180 0 40 DGAB O=C(Nc1ccccn1)N1CCC([C@@H](O)c2ccccc2)CC1 48346914 KZUBFDSBPXHHRR-KRWDZBQOSA-N 311.385 3.059 0 40 DGAB Fc1cccc(CSc2nnnn2-c2ccccc2)c1F 52634986 XMZJZZFYEWYREW-UHFFFAOYSA-N 304.325 3.233 0 40 DGAB O=C(CC1CCCCC1)NC1CCN(Cc2ccccn2)CC1 53989961 ZVXRYLWQPFXBAK-UHFFFAOYSA-N 315.461 3.133 0 40 DGAB Cc1ccc2c(c1)CC[C@H]2NS(=O)(=O)Cc1ccccc1 57019724 XHIGQQUVMZQKHU-QGZVFWFLSA-N 301.411 3.102 0 40 DGAB O=C(CNCc1ccccn1)Nc1c(Cl)cccc1Cl 57440155 JPENGJVCWUIREZ-UHFFFAOYSA-N 310.184 3.117 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)N(C)Cc2ccsc2)c1 58313102 MEXALRCITPVENE-UHFFFAOYSA-N 317.414 3.114 0 40 DGAB COc1ccc(C(C)=O)c(OCc2nnc(SC)s2)c1 58331485 JOOWQLMZDNPLKW-UHFFFAOYSA-N 310.400 3.050 0 40 DGAB C[C@H](NC(=O)CSC[C@H](O)c1ccccc1)c1ccccc1 60128293 JBPDTOXKZABCGD-YOEHRIQHSA-N 315.438 3.331 0 40 DGAB CCC(CC)C(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 64452395 IEXVWZWGKXMLIX-JTQLQIEISA-N 305.353 3.489 0 40 DGAB Cc1ccccc1[C@H]1CCCN1c1ncnc2c1CN(C)CC2 65474766 UREFAZAOGVKSHT-GOSISDBHSA-N 308.429 3.114 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COc2cccc(F)c2N)CC1 67800820 DHUBOUKVYBWXTC-UHFFFAOYSA-N 324.396 3.434 0 40 DGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)NC1CCC(O)CC1 69203653 JCKWLDBHCFRUSD-OOHWJJMZSA-N 318.461 3.346 0 40 DGAB Cc1ccc(CCC(=O)N2CCC[C@H]2[C@@H]2CCCN2C)cc1 69517935 KKRNCNMPIUJJMM-ROUUACIJSA-N 300.446 3.013 0 40 DGAB COc1ccc(Br)cc1-c1noc(C)c1C(=O)O 70544112 WRAWYDBYDMGDKG-UHFFFAOYSA-N 312.119 3.119 0 40 DGAB Cc1cc(C)n(C2CN(Cc3cc(F)cc4cccnc34)C2)n1 71880623 VOKDNGOAHPPFIU-UHFFFAOYSA-N 310.376 3.244 0 40 DGAB C[C@H](NC[C@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 72203963 ICKLJMZYXGJZHD-UONOGXRCSA-N 305.422 3.132 0 40 DGAB O=C(c1cscn1)N1CC[C@H](Cc2cccc3ncccc23)C1 72367661 GRGWGASRCIZMGO-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCCC[C@H]2C)c(C)cc1C 72414610 DYGPYAFDMSXCBB-CQSZACIVSA-N 311.447 3.265 0 40 DGAB CS(=O)(=O)c1cccc(OCCSc2cccs2)c1 77934275 FRVATQRELHVOAD-UHFFFAOYSA-N 314.453 3.323 0 40 DGAB COc1cc(COC(=O)c2cnn(C)c2C(F)F)ccc1C 77961133 TVMNVDKCJMPPEJ-UHFFFAOYSA-N 310.300 3.032 0 40 DGAB CN(CC1CCCC1)C(=O)c1ccc2c(c1O)OC(C)(C)C2 78441343 HLGGLBUONCZMNI-UHFFFAOYSA-N 303.402 3.368 0 40 DGAB Cc1ccc(NC(=O)N(C)[C@H]2CCN(C3CC3)C2)cc1Cl 78806276 CMJKVLSFQJXDRP-AWEZNQCLSA-N 307.825 3.349 0 40 DGAB Cc1cc(NCCCNC(=O)c2occc2C)nc(C(C)C)n1 78824925 BNBNYVOHTBSMQM-UHFFFAOYSA-N 316.405 3.042 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@@H](C)CO[C@H](c2ccccc2)[C@@H]1C 78879699 PAPAFNJUWDWHQR-BNLOLNQZSA-N 314.385 3.282 0 40 DGAB COCc1cc(C(=O)N(C)[C@@H](C)c2cc(C)ccc2C)no1 79487571 RJURGBTZZNNJEO-ZDUSSCGKSA-N 302.374 3.271 0 40 DGAB CCCCCC[C@@H](C)C(=O)OCc1nnc2ccc(Cl)nn12 84743054 INUJJRGZVKJMJI-LLVKDONJSA-N 324.812 3.427 0 40 DGAB CC[C@@H]1N(C(=O)OCc2ccccc2)CCC[C@]12CCCN2 91303089 JRDBKLGLOKKWDZ-FUHWJXTLSA-N 302.418 3.320 0 40 DGAB CCN(CCO)C(=O)c1ccc(-c2nc3ccccc3s2)o1 95360846 STPSWOWPFMOAAT-UHFFFAOYSA-N 316.382 3.011 0 40 DGAB Cc1c(NCc2ccc(OC(F)F)c(F)c2)cccc1C(N)=O 95437420 AQYKNQNPGTWBNB-UHFFFAOYSA-N 324.302 3.447 0 40 DGAB Cc1cnccc1CCNC(=O)Nc1ccc2c(c1)C(=O)CCC2 95437941 NRZWXIYQLJSNQV-UHFFFAOYSA-N 323.396 3.273 0 40 DGAB Cc1nc(CC(=O)Nc2csc(-c3ccccn3)n2)cs1 95467371 BMKLCBDHFVSSJA-UHFFFAOYSA-N 316.411 3.151 0 40 DGAB CC(C)N(C)C(=O)NCc1cccc(C(=O)OC(C)(C)C)c1 95987606 DDLLTRTWGYCRRC-UHFFFAOYSA-N 306.406 3.192 0 40 DGAB CO[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccc(C)s1 96104745 QLURITBEUKGLTM-ZDUSSCGKSA-N 306.387 3.039 0 40 DGAB C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1ccsc1 96109739 QAYDDHSKQBTQGB-ZDUSSCGKSA-N 317.458 3.448 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)NCc2csc(C(C)C)n2)C1 96439944 NOZIPSWUVDARFY-JQWIXIFHSA-N 313.492 3.350 0 40 DGAB CCC(=O)c1cccc(S(=O)(=O)Nc2cc(C)cc(C)n2)c1 96483220 VAUVCCKJPXGMDY-UHFFFAOYSA-N 318.398 3.092 0 40 DGAB O=C(O)CCc1ccc(OCc2ccn(-c3ccccc3)n2)cc1 97103283 MSFJXWZRMYLWCP-UHFFFAOYSA-N 322.364 3.469 0 40 DGAB C[C@@H](CCc1cccc(F)c1)N1CCC[C@@H]1c1nncn1C 97371299 FYIHINSFRYPNKM-XJKSGUPXSA-N 302.397 3.112 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@H](C)N[C@H](C)c2ccco2)cc1 97375017 VFVXYQYEVYPOKZ-UONOGXRCSA-N 307.415 3.101 0 40 DGAB CCCCCCn1c(=O)c(C(=O)OCC)c(O)c2ccccc21 101101963 GCFJEMAEXQXJRC-UHFFFAOYSA-N 317.385 3.464 0 40 DGAB COc1ccc(OC)c(C(=O)C[C@@H]2C(=O)Nc3ccccc32)c1 101477756 UZDVFQPRAFUJIJ-ZDUSSCGKSA-N 311.337 3.013 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 103123008 TUNDSAYIPIRMJW-SPYBWZPUSA-N 324.428 3.212 0 40 DGAB COC(=O)c1ccc([C@@H](C)N2CCC[C@@H]2c2cnn(C)c2C)o1 110705904 OMFJNUMRWVTLIR-TZMCWYRMSA-N 317.389 3.006 0 40 DGAB COc1cnccc1[C@H](C)NC(=O)N[C@H](C)c1cc(C)oc1C 186788394 ZYRDWQDFWXUUJW-NWDGAFQWSA-N 317.389 3.421 0 40 DGAB CO[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[C@H]1C 190256526 YDKCOJIIMINRIS-SJKOYZFVSA-N 316.401 3.094 0 40 DGAB CSC[C@@H](CCO)N[C@@H](C)c1ccccc1Br 195540961 HUGRIPKOJPJTLL-WDEREUQCSA-N 318.280 3.214 0 40 DGAB C[C@H](NC(=O)c1ccc(C(=O)O)o1)c1nc(C(C)(C)C)cs1 195551748 NFSWXVLRVCPEAF-QMMMGPOBSA-N 322.386 3.223 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)NCC1=CCCCC1 224156263 TWNIZZWXDGVTHO-KRWDZBQOSA-N 303.402 3.469 0 40 DGAB COc1ccc(C)cc1Nc1ccc(N)cc1C(=O)NC1CC1 225482073 UORSUAPHRLUKCF-UHFFFAOYSA-N 311.385 3.222 0 40 DGAB O=C(CCc1nc(-c2cccc(F)c2)no1)Nc1ccccc1 225798816 RMFHSVLKKCAQMH-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CCC[C@H](C)NC(=O)CCc1nc(-c2cccc(C)c2)no1 225814536 ORNXTNHATNAANS-ZDUSSCGKSA-N 301.390 3.282 0 40 DGAB CN(Cc1cccn1C)C(=O)c1ccc2nc(Cl)oc2c1 225985078 NRTCSNFKUYSZGZ-UHFFFAOYSA-N 303.749 3.092 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc3nc(N)sc3c2)c1 226311671 YKOLGGWMSYBAPF-UHFFFAOYSA-N 313.382 3.204 0 40 DGAB NNc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2s1 226314310 JSFUMSPHKIJNJA-RMKNXTFCSA-N 310.382 3.234 0 40 DGAB CCOc1ccc(CNCc2cc(C(F)(F)F)nn2C)cc1 256053193 QLWIHAJTXMUPMQ-UHFFFAOYSA-N 313.323 3.127 0 40 DGAB O=C(c1cccc2cccnc12)N1CCC(c2cnccn2)CC1 257203440 AQBHDNBSVXGCPV-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2cc(F)ccc2F)O[C@@H]2CCCC[C@@H]12 257330096 XMTRGIZAFVPYMS-WBQNTZJQSA-N 309.356 3.490 0 40 DGAB COc1cc2nc(/C=C/c3cn(C)cn3)sc2cc1OC 330031574 AMMKAAOTPOJTPS-SNAWJCMRSA-N 301.371 3.217 0 40 DGAB O=S(=O)(NCc1cncc(C2CC2)c1)c1cccc(Cl)c1 575620355 MGMQBSXDIILMJW-UHFFFAOYSA-N 322.817 3.091 0 40 DGAB CCCC[C@H](N[C@@H](C)CC[P@@](C)(=O)OCC)C(=O)OC 583651745 RMLJIVIYBKZXCR-QAJFTPDKSA-N 307.371 3.031 0 40 DGAB CCC[C@@H](CCCO)C(=O)Nc1cccc(N2CCCC2)c1 585135486 MSGZUZXNEJTIKF-HNNXBMFYSA-N 304.434 3.414 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1cncc(-c2cccnc2)c1 827603754 AGEKFKBWMDYCIS-CMDGGOBGSA-N 315.376 3.473 0 40 DGAB Clc1cccnc1OC[C@H]1CCCN(Cc2cncs2)C1 2298049128 XZWWGLGOZXTMAI-LBPRGKRZSA-N 323.849 3.483 0 40 DGAB O=C(C[C@H](NC1CCCCC1)C(=O)O)c1ccc(Cl)cc1 42881 YAIOGSVPLXMJRH-AWEZNQCLSA-N 309.793 3.288 0 40 DGAB CC(C)C(=O)Nc1cccc(C(=O)OCC(=O)C(C)(C)C)c1 482489 GVMSHWDCIYQPBP-UHFFFAOYSA-N 305.374 3.053 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1ccccc1Cl 1972421 ZMHSWTUEKUPQGO-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cc1cc(NC(=O)COc2cccc(C(F)(F)F)c2)no1 2630170 LHPVKBBVXIMMOJ-UHFFFAOYSA-N 300.236 3.019 0 40 DGAB COc1ccc(OC[C@H](O)CNC(C)(C)C)c(C(C)(C)C)c1 2685824 NEGLVMYDJLCCDZ-CYBMUJFWSA-N 309.450 3.121 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCC(C)CC1 2780241 CHVBAPDQHOOPRJ-NSHDSACASA-N 303.328 3.030 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1c(F)cccc1F 3384264 WGFZPZOLQGIBNP-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB CCOc1ccc(-c2ccc(=O)n(Cc3ccccc3)n2)cc1 5389012 RDFDBMVYOMVHLU-UHFFFAOYSA-N 306.365 3.357 0 40 DGAB CCCCNC(=S)N1CCc2cc(OC)c(OC)cc2[C@H]1C 5450987 JFBLNRREMKRUHA-GFCCVEGCSA-N 322.474 3.298 0 40 DGAB CSc1ccc(OCC(=O)Nc2ccc3c(c2)OCO3)cc1 6127466 QAGKUMDROIQSCA-UHFFFAOYSA-N 317.366 3.155 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@@H](C)Oc2cccc(C)c2)c1 6207261 PUTWCGQFDRWTKR-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB CCN(C[C@@H](O)c1cccc(O)c1)C(=S)Nc1ccccc1 6241777 HZPGSQYRPJHUCA-MRXNPFEDSA-N 316.426 3.145 0 40 DGAB Cc1cc(C)c2oc(C(=O)NCc3ccccc3)cc(=O)c2c1 6811318 XYMHVTYEQTVTLP-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB Cc1occc1-c1nnc(S[C@@H](C)C(=O)NC(C)(C)C)o1 7167296 RIJZICZNZQDCLJ-VIFPVBQESA-N 309.391 3.033 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 7358919 IZEXBMZTKSAMGK-HZPDHXFCSA-N 315.461 3.203 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1CS[C@@]2(C)CCC(=O)N12 7406728 FCFQQIXULJZJBA-DOMZBBRYSA-N 324.833 3.041 0 40 DGAB CCCCCNC(=O)CNC(=O)c1ccc(Cl)c(Cl)c1 7737441 IMOWXENHLMUDBL-UHFFFAOYSA-N 317.216 3.030 0 40 DGAB Cc1ccsc1CN(C)C(=O)c1cc(=O)c2ccccc2o1 7988276 PRYHDRVHEXFCCZ-UHFFFAOYSA-N 313.378 3.435 0 40 DGAB Cc1ccc(NC(=O)c2cccc(N3CCCC3=O)c2)c(O)c1 8242054 KMWQTBPFCLCHCN-UHFFFAOYSA-N 310.353 3.080 0 40 DGAB O=C(NCCC1CCCCC1)C(=O)NCc1ccc(Cl)cc1 9232213 RERRGTYISHXOFZ-UHFFFAOYSA-N 322.836 3.043 0 40 DGAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccco1 9280903 ZPEVNGZTXNFLBM-UHFFFAOYSA-N 310.353 3.092 0 40 DGAB O=c1c2ccccc2ncn1Cc1coc(-c2ccccc2)n1 9691548 PVHLYNPGVLZKLA-UHFFFAOYSA-N 303.321 3.100 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)c1 12592710 BBMCWGKQMFWUKH-SNVBAGLBSA-N 317.776 3.377 0 40 DGAB COc1ccccc1[C@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 12793335 WXNDXLMCCGRIBY-IFXJQAMLSA-N 324.424 3.366 0 40 DGAB COCCNC(=O)c1ccc(-c2cccc(C(F)(F)F)c2)o1 12798685 TWPSYYQQZYHKQL-UHFFFAOYSA-N 313.275 3.342 0 40 DGAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCO3)c(F)c1 12986895 HQHBZOBMMUUBTO-UHFFFAOYSA-N 301.317 3.434 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)CN1C[C@H](C)O[C@@H](C)C1 13137759 TXEAUWMNZALGOM-KKUMJFAQSA-N 304.434 3.248 0 40 DGAB Cc1cccc(C(=O)N2CCC(C(=O)O)(c3ccccc3)CC2)c1 13185471 PZZBHMITQVQDQE-UHFFFAOYSA-N 323.392 3.254 0 40 DGAB COC(=O)c1cccc(Oc2c(F)c(N)nc(F)c2Cl)c1 13691407 FTLRLXYJLJCCLA-UHFFFAOYSA-N 314.675 3.174 0 40 DGAB O=C(NCCc1ccsc1)c1ccc(Br)o1 13698236 YUPUNGPCNPXKLO-UHFFFAOYSA-N 300.177 3.076 0 40 DGAB CC(C)N(Cc1cc(=O)[nH]c2ccccc12)C(=O)c1ccco1 15838873 DRHALIBBYJGCAX-UHFFFAOYSA-N 310.353 3.172 0 40 DGAB Cn1c([C@@H](C#N)C(=O)c2ccc(Cl)nc2)nc2ccccc21 15906762 OJCUFZXMUKSIKL-NSHDSACASA-N 310.744 3.112 0 40 DGAB COc1cc(CN2CCCCC[C@H]2c2ccn(C)n2)ccc1O 19291070 IBTFBCKVQJWFCW-INIZCTEOSA-N 315.417 3.252 0 40 DGAB COc1cccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)c1 19565672 LRXDWLHYXNAOGV-ZWKOTPCHSA-N 301.361 3.107 0 40 DGAB Fc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19789362 AZSDHGDESITJQU-NJAFHUGGSA-N 300.421 3.156 0 40 DGAB CN(C)C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 19862693 LRJUEUFQSNXXIG-UHFFFAOYSA-N 323.440 3.075 0 40 DGAB c1cc(-c2cc[nH]n2)cc(-c2ccccc2N2CCNCC2)c1 20255951 GRRHDFOXLWNBJA-UHFFFAOYSA-N 304.397 3.153 0 40 DGAB Cc1cc(C)c2c(CN3C[C@@H](C)O[C@H](C)C3)cc(=O)oc2c1 20358241 MIIGOKRLWZHBRI-ZIAGYGMSSA-N 301.386 3.019 0 40 DGAB biogenic O=S(=O)(Cc1ccc(F)cc1)N1CCC[C@@H]1c1ccccc1 25372151 JHFLDHIBHMMUCN-QGZVFWFLSA-N 319.401 3.493 0 40 DGAB CCN(CCCNC(=O)c1cc(Cl)cn1C)c1ccccc1 29955496 MEAGDXFCPKGSJE-UHFFFAOYSA-N 319.836 3.325 0 40 DGAB Cn1c(C(=O)NCCc2ccc(F)cc2)cc(Cl)c1Cl 30585886 BNWGKABVDVKZLZ-UHFFFAOYSA-N 315.175 3.444 0 40 DGAB Cc1noc2ncc(C(=O)NC34CC5CC(CC(C5)C3)C4)cc12 30806394 XCFXAFJGPSPNFM-UHFFFAOYSA-N 311.385 3.230 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@@H]1CC(c2ccc(F)cc2)=NO1 36014768 XPKKOTOHHYNFEC-HNNXBMFYSA-N 302.280 3.097 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)c1ccccc1F 36395336 OMZODRJGLTVUHG-UHFFFAOYSA-N 314.360 3.472 0 40 DGAB CC[C@@H]1CCCN(C(=O)CCc2nnc(-c3ccsc3)o2)C1 40514179 ZQOMIGJCNCLPTK-GFCCVEGCSA-N 319.430 3.379 0 40 DGAB Cc1nn(C[C@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 42755896 RFWUUQJGINGSNT-INIZCTEOSA-N 314.772 3.092 0 40 DGAB O=C(c1cccc(F)c1)N1CCN(CC2CCCCC2)CC1 45782015 UYNYFISWCANLSE-UHFFFAOYSA-N 304.409 3.164 0 40 DGAB Cc1cc(Cl)ccc1-c1ccc(C(=O)N2CCOCC2)o1 45954211 ICYLFBKLHDKCLS-UHFFFAOYSA-N 305.761 3.381 0 40 DGAB COc1cccc(Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)c1 46727834 WIMFNXPWJNECRI-UHFFFAOYSA-N 312.394 3.073 0 40 DGAB CCC[C@@H](C)c1nnc(NC(=O)c2noc(C)c2COC)s1 55119901 ZQQGTFCCJKFWHY-MRVPVSSYSA-N 324.406 3.137 0 40 DGAB CN(Cc1cccc(C(F)(F)F)c1)C(=O)NCc1ccccn1 57421887 KXIAZQIAWGKBTH-UHFFFAOYSA-N 323.318 3.442 0 40 DGAB Cc1ccccc1C(=O)COc1ccc(C(=O)NC2CC2)cc1 58248832 PQHJMACCBKIQRE-UHFFFAOYSA-N 309.365 3.149 0 40 DGAB CCn1c(CN(C)C(=O)c2cccc(OC)c2)nc2ccccc21 58325297 IYKANJSBLQTJIC-UHFFFAOYSA-N 323.396 3.337 0 40 DGAB COc1ccccc1N1CC[C@@H](CNc2cncc(Cl)n2)C1 65575504 SOQDCRJQCMWRHJ-LBPRGKRZSA-N 318.808 3.077 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)CCn2ccc3ccccc32)cn1 69655216 HKXCNCCUDUMSBW-SFHVURJKSA-N 322.412 3.129 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(Cl)nc2)c1 70039816 YPDWYXPSXWRUKZ-UHFFFAOYSA-N 307.712 3.085 0 40 DGAB C[C@@H]1CCC[C@@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)[C@H]12 71830321 YYVFFQWAHUYGBI-IIDMSEBBSA-N 324.428 3.308 0 40 DGAB O=C(NCCN1CCCCCC1)C1(c2ccc(Cl)cc2)CC1 71884715 ISAICUOHMSEIRP-UHFFFAOYSA-N 320.864 3.364 0 40 DGAB CCCO[C@H]1CCCN(C(=O)c2csc(-c3ccoc3)n2)C1 71888048 REPNDMSFEGQYRV-ZDUSSCGKSA-N 320.414 3.434 0 40 DGAB S=c1sc(SCC2OCCO2)nn1-c1ccccc1 71916367 JEDWRYCAIXHIAW-UHFFFAOYSA-N 312.441 3.128 0 40 DGAB CC[C@](O)(C1CCN(C(=O)OC(C)(C)C)CC1)C(F)(F)F 72208681 UZNPJLFVJJKFTO-ZDUSSCGKSA-N 311.344 3.337 0 40 DGAB CCN(C(=O)OC(C)(C)C)c1ccc([C@@H]2CCCN2C=O)cn1 72214605 OMTZOGRVFXWSIP-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB CC[C@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 72297673 NJSRNBJAQMAVNV-ZFWWWQNUSA-N 320.433 3.415 0 40 DGAB CCOc1cccc(CNC(=O)c2cn[nH]c2-c2ccccc2)c1 72328810 CYNGNXKPWYRUAX-UHFFFAOYSA-N 321.380 3.405 0 40 DGAB O=C(c1ccncc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 72389454 UZCGFLUWRSGKOZ-INIZCTEOSA-N 306.369 3.325 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccsc2)n1 75129614 YQQLMLMQERHZRN-HNNXBMFYSA-N 303.431 3.256 0 40 DGAB CO[C@H](CNC(=O)CCc1ccccn1)c1cccc(Cl)c1 76067399 XQZUXUJZBPMJTR-MRXNPFEDSA-N 318.804 3.172 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccc2)Cc2ccco2)n(C)n1 84101751 QBXMTTWGBCZEOH-UHFFFAOYSA-N 309.369 3.164 0 40 DGAB CC(C)C[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 84456956 ZIABCUFHGNSRHT-KBPBESRZSA-N 322.474 3.151 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)Nc1nnc(C2CC2)s1 84811989 LURLTOGJIOGRFR-VHSXEESVSA-N 312.464 3.211 0 40 DGAB CCOc1cc(Cl)ccc1NC(=O)N[C@H](C)c1cnn(C)c1 89990959 AOUQZEHTYVSYNR-SNVBAGLBSA-N 322.796 3.355 0 40 DGAB O=C(c1ccno1)N(CCc1cccs1)Cc1ccoc1 90748168 DUYXXQOZXXCLOU-UHFFFAOYSA-N 302.355 3.214 0 40 DGAB CCOC(=O)c1nc(Cl)c2cccc(Br)c2n1 95830822 HBDJDYCUMMGJPW-UHFFFAOYSA-N 315.554 3.222 0 40 DGAB CC[C@@H](NC[C@H](c1cccc(F)c1)N1CCOCC1)C(C)C 95967483 VMYOBNBJFDWTMW-QZTJIDSGSA-N 308.441 3.223 0 40 DGAB Cc1cncc(NCc2ccc(OCc3noc(C)n3)cc2)c1 95972293 KTAMWPZGCMZUTE-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1nn(C)c2ccccc12 96097191 JTHVQJFVVVEYDE-CQSZACIVSA-N 307.397 3.324 0 40 DGAB Cc1ccc2cnn(CCC(=O)Nc3nc(C)c(C)s3)c2c1 96182379 CQMYXVMSNZGNRQ-UHFFFAOYSA-N 314.414 3.447 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)NCc2ccc(Cl)nc2)C1 96439132 YPKMUVKSYXJIGT-VXGBXAGGSA-N 313.854 3.208 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)NCc2csc(C(C)C)n2)C1 96439945 NOZIPSWUVDARFY-ZYHUDNBSSA-N 313.492 3.350 0 40 DGAB C[C@H](Cc1ccsc1)N[C@@H]1CCN(c2ncccc2F)C1 96479255 YCZZTXWXIUSYNV-TZMCWYRMSA-N 305.422 3.082 0 40 DGAB CC1(C)C[C@H](NC(=O)Cc2cccnc2)c2ccc(F)cc2O1 96479398 KVSONZUOIUWWIT-HNNXBMFYSA-N 314.360 3.182 0 40 DGAB O=C(Nc1cccnn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 96489167 RPEWWRJMDNAHIH-CRAIPNDOSA-N 308.385 3.410 0 40 DGAB Cc1cc(-n2c(C)cc(C(=O)OC[C@@H]3CCCCO3)c2C)no1 96995957 HWXQOENSNMIJMP-AWEZNQCLSA-N 318.373 3.116 0 40 DGAB Cn1cc(C(=O)N2CC[C@H](c3cccc(C(F)(F)F)c3)C2)cn1 97107313 UZKWULIXOSHOMN-LBPRGKRZSA-N 323.318 3.069 0 40 DGAB CN(Cc1nc2ccccc2n(C)c1=O)[C@H]1CCc2ccccc21 97201331 XEVYMMFYUXTREM-SFHVURJKSA-N 319.408 3.053 0 40 DGAB Cc1nc2n(c1C)CCN(Cc1coc(-c3cccs3)n1)C2 97201413 FGPYUTKJLCXFOF-UHFFFAOYSA-N 314.414 3.232 0 40 DGAB Cc1nnc([C@@H](NC[C@@H]2C[C@H]3C=C[C@H]2C3)c2ccccc2)n1C 101542860 FYNPVLIMTMLPGO-DKIMLUQUSA-N 308.429 3.015 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N[C@H](C)c2c(C)nn(C)c2C)C1(C)C 106530393 CCVOLWJZEYVQMQ-XFJVYGCCSA-N 303.450 3.453 0 40 DGAB S=C(N[C@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1c1ccncc1 107329926 LNSQCEXJVCSXNV-TUUVXOQKSA-N 301.459 3.282 0 40 DGAB Cc1oncc1CNC1(c2ccc3c(c2)OCCO3)CCCC1 129006401 LNJMHZYLMMOULX-UHFFFAOYSA-N 314.385 3.313 0 40 DGAB O=C(NO[C@H]1CCCCO1)N[C@H](c1ccc(F)cc1)C1CC1 163076531 JGDJXKOHZMYLLT-GJZGRUSLSA-N 308.353 3.034 0 40 DGAB CC(C)(C)c1nc(CC(=O)Nc2ccc3c[nH]nc3c2)cs1 171266378 OMSMVVKDBVPAEO-UHFFFAOYSA-N 314.414 3.498 0 40 DGAB CS(=O)(=O)N(Cc1cccc(Cl)c1)c1ccccc1F 171534490 YNKFMUONEHTBIC-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB O=[S@@](CCc1cccs1)c1ccc2c(c1)OCCCO2 191177125 UWTRWNXFHFQBRS-FQEVSTJZSA-N 308.424 3.260 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)NC(C)(C)C 223177083 IPCYMLSDBVKBMX-HNNXBMFYSA-N 304.434 3.119 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(C)cc2)cc1Cl 225155082 PVZVQLGMPKWNRN-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB O=S(=O)(C1CC1)N1CCCC[C@H](c2ccc(Cl)cc2)C1 225658626 CEBWKKCDZPRTBV-ZDUSSCGKSA-N 313.850 3.402 0 40 DGAB C[C@@H]1CCCCN1C[C@H](O)CO[C@H]1C(C)(C)[C@H]2CC[C@@]1(C)C2 245253868 IALISDBBGAHRTK-QSUVVDIXSA-N 309.494 3.453 0 40 DGAB Cc1cc(N2CCC(N(C)CCCCCF)CC2)nc(C)n1 252494793 OFDGXXUGKUPXSX-UHFFFAOYSA-N 308.445 3.134 0 40 DGAB Cc1n[nH]c(C)c1-c1cnc(C[C@H]2CCCN(C(C)C)C2)cn1 257277360 NXRDEQNZIRBCJA-OAHLLOKOSA-N 313.449 3.146 0 40 DGAB O=C(C1CCCCC1)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257342447 ZOQQBGURDSBQDO-BPQIPLTHSA-N 314.429 3.278 0 40 DGAB Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)O)c1 321684221 WZOLTFMXUDGYJB-UHFFFAOYSA-N 310.397 3.426 0 40 DGAB CC(C)[C@H]1C[C@@H](Cc2nc(-c3ccc(O)cc3)no2)CCO1 331245252 TVNQUFFNRYSYEO-SWLSCSKDSA-N 302.374 3.436 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(O[C@H](C)CC)cc2)C1=O 409220888 HJBCROVRYANPKL-PKVLTRFUSA-N 302.374 3.167 0 40 DGAB C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cnnc2ccccc12 529220305 CAFOGSQXWPXILS-SKDRFNHKSA-N 309.291 3.043 0 40 DGAB CC[C@H]1OCCC[C@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 575603102 QUOFYZCSJIGJJH-HUUCEWRRSA-N 313.401 3.231 0 40 DGAB COC1(OC)CC(Sc2nnc3sc4ccccc4n23)C1 585119091 QILYCANPAXUSKV-UHFFFAOYSA-N 321.427 3.188 0 40 DGAB CO[C@@H](CNc1ncc(Br)cn1)c1ccccc1C 1775996089 UNKLTHCXCSROTB-ZDUSSCGKSA-N 322.206 3.347 0 40 DGAB CC(C)(C)C(=O)Nc1ccc(NC(=O)c2ccc(F)cc2)nc1 1352571 WZIHORBWBBAAQD-UHFFFAOYSA-N 315.348 3.458 0 40 DGAB CCN(CC)S(=O)(=O)C(c1ccccc1)c1ccccc1 1717734 WSUWJYJYNXRRQY-UHFFFAOYSA-N 303.427 3.448 0 40 DGAB CCCOc1ccc(C(F)(F)F)cc1NC(=O)COCC 1891294 XRDWVJBZOQQYDF-UHFFFAOYSA-N 305.296 3.469 0 40 DGAB CCn1ncc([C@H](C)NC(=O)c2cc(-c3ccccc3)on2)c1C 2795465 GJTOSLLBCMIUAW-LBPRGKRZSA-N 324.384 3.357 0 40 DGAB Cc1cc(NC(=O)COc2ccccc2)n(-c2ccccc2)n1 3171759 LUOCXXDTDABFKK-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 3843791 CWGZMGDCCGJNKL-BLRBUBBXSA-N 304.430 3.282 0 40 DGAB biogenic CCn1c(C)c(C(=O)NCc2cccnc2)c2cc(OC)ccc21 5347808 IDKANBYDZSVCEX-UHFFFAOYSA-N 323.396 3.303 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)CSc1cccc[n+]1[O-] 5446353 CJNYKFHESKKCEE-QLFBSQMISA-N 323.458 3.416 0 40 DGAB O=Cc1ccc(/C=C/C(=O)c2ccc(N3CCOCC3)cc2)cc1 6269149 CZLGYLVZRWLXTN-BJMVGYQFSA-N 321.376 3.232 0 40 DGAB N#C/C(=C/c1cccn1-c1ccc(O)cc1)C(=O)NC1CCCC1 6971197 JVWWNRVBDZEABT-OWBHPGMISA-N 321.380 3.149 0 40 DGAB O=C(CC1CCCC1)NCc1ccc(N2CCCC2=O)cc1 7490572 IPFFDQRAUWQEDD-UHFFFAOYSA-N 300.402 3.010 0 40 DGAB Cc1cccc(NC(=O)COc2ccc(Cl)cc2C(=O)O)c1 7604133 WRVKMJOPMQTBTN-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1ccc(C)c(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 7928716 XDRRYLATVSLHRT-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1ccccc1N1CCCCC1 7988073 KICZESXOZYGGAJ-UHFFFAOYSA-N 313.401 3.463 0 40 DGAB Cc1nc(SCCOc2ccccc2)c(C(N)=O)c(C)c1C 8704915 HIBGAAJBWGTIDP-UHFFFAOYSA-N 316.426 3.277 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3cccc(F)c3)ccc21 9827701 JOWGAIFLFYAUAL-UHFFFAOYSA-N 312.344 3.377 0 40 DGAB COc1ccccc1OCC(=O)N1CCCc2cccc(C)c21 10971419 FRFDJKXNQFMZBG-UHFFFAOYSA-N 311.381 3.362 0 40 DGAB CN(Cc1nc(COc2ccc(F)cc2)no1)c1ccccc1 12517569 CVTSDPOUNOTCBO-UHFFFAOYSA-N 313.332 3.424 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ncc(C)s1 12531104 QEYQCXGJUKJYDQ-UHFFFAOYSA-N 300.387 3.002 0 40 DGAB Cc1cn2c(/C=C3\N=C(c4ccccc4)OC3=O)c(C)nc2s1 12540095 DZGPBIIAMSFAPA-JYRVWZFOSA-N 323.377 3.357 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)N2C[C@H](C)O[C@@H](C)C2)c1C 12808347 IPOQZROWKAFQCJ-RYUDHWBXSA-N 318.442 3.405 0 40 DGAB O=C(/C=C/c1cc(F)cc2c1OCOC2)Nc1cccc(F)c1 14015454 YOCZDITWVBZAKM-SNAWJCMRSA-N 317.291 3.483 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccco1 14197354 RCMHOMCIXMECPF-SNVBAGLBSA-N 308.175 3.462 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)/C(Cl)=C(\Cl)C(=O)O 16952965 HDNSTGGEYNJTTN-CMDGGOBGSA-N 308.548 3.361 0 40 DGAB CC(C)c1ncc(CN2CCC(N3CCC[C@H](C)C3)CC2)cn1 19496487 BPXZSVZNFRFKPW-INIZCTEOSA-N 316.493 3.296 0 40 DGAB COc1ccc(SCC(=O)N2CCc3ccccc3C2)cc1 20110574 CNXOOMFXCQQENV-UHFFFAOYSA-N 313.422 3.372 0 40 DGAB COc1ccc(C(=O)Nc2ccc(Cl)c(C(=O)O)c2)cc1 20141637 ALUMZAABEOQWPU-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB Cc1cc(C(=O)OCc2nnsc2Cl)c2ccccc2n1 21666179 SZBZSAMOZAWIKY-UHFFFAOYSA-N 319.773 3.405 0 40 DGAB CCN(CC)CCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 22704275 SPGRSKWSODGQBR-UHFFFAOYSA-N 313.445 3.118 0 40 DGAB Cc1ccccc1CC(=O)NC[C@H](c1ccsc1)N(C)C 25330513 WDGUNFPYBLZRBD-MRXNPFEDSA-N 302.443 3.018 0 40 DGAB O=C(NCC1CC1)c1c(-n2cccc2)sc2c1CCSC2 27467100 XTLLBMDYEBAVPX-UHFFFAOYSA-N 318.467 3.468 0 40 DGAB O=C(O)CCCc1nc2ccccc2c2nc3ccccc3n12 31847936 HHCKLTWOFGWIFN-UHFFFAOYSA-N 305.337 3.443 0 40 DGAB COc1ccc(Cn2cc3nc(Cl)nc(Cl)c3n2)cc1 34789872 RWFUASGPPLRSNQ-UHFFFAOYSA-N 309.156 3.190 0 40 DGAB CC[C@@H]1Oc2ccc(O)cc2N(Cc2ccc(F)cc2)C1=O 36260368 SGQCUOZVFMLCEI-HNNXBMFYSA-N 301.317 3.236 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2cc(Cl)ccc2F)n1 40121531 HKYKOIMWJDITTI-JTQLQIEISA-N 323.799 3.359 0 40 DGAB Cc1ccc(NCCCNC(=O)N[C@H](C)c2cccs2)nc1 40139466 DVAGZHHMMYDZEI-CYBMUJFWSA-N 318.446 3.314 0 40 DGAB CCOC(=O)c1cnc2ccc(Br)cc2c1N(C)C 40175585 LKVGSKFBCZDXKX-UHFFFAOYSA-N 323.190 3.240 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)NC(=O)CO3)cc1 40510883 PNUYQIRRUDOITE-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)N3CCCC3)cc2F)C[C@@H](C)O1 40541409 FIMJWYAHZVLWSM-CHWSQXEVSA-N 321.396 3.067 0 40 DGAB Cc1ccc(OCCN(C)C(=O)c2cncnc2C(C)C)cc1 40549828 ZDFMHAPOWVLMNL-UHFFFAOYSA-N 313.401 3.059 0 40 DGAB CCC[C@H](C)NC(=O)[C@H](C)Sc1ccc(OC)c(OC)c1 44899930 WJYBPLBQHZHMHL-RYUDHWBXSA-N 311.447 3.489 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@H]1c1cccs1 45966205 YOQFEAQYGPQIPB-ZDUSSCGKSA-N 317.414 3.198 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1c1ccsc1 46912793 FRQYIJRVMFSSOB-XJKSGUPXSA-N 315.394 3.252 0 40 DGAB O=C(Nc1ccccc1)C(=O)Nc1cccc(Br)c1 47902571 IKKRKTSODLNXEM-UHFFFAOYSA-N 319.158 3.026 0 40 DGAB O=C(Nc1cccnc1)c1csc(NCc2ccccc2)n1 49551084 BHTXFVDCWSIGIA-UHFFFAOYSA-N 310.382 3.403 0 40 DGAB CC[C@@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1 57992348 UKOIZFSYVXBUPS-CQSZACIVSA-N 317.433 3.351 0 40 DGAB CNC(=O)c1cccc(OCc2cc(-c3ccccc3)on2)c1 58064732 AEMHXKZOOJJMBK-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB C[C@@H](OC(=O)C=C(C1CC1)C1CC1)c1nc2ccccc2c(=O)[nH]1 62478634 GKZVTJQKPJTHCD-LLVKDONJSA-N 324.380 3.274 0 40 DGAB CN(C)C(=O)c1ccc(-c2ccccc2Br)n1C 65538802 JNPYEGKARXHADO-UHFFFAOYSA-N 307.191 3.156 0 40 DGAB CC(C)(CC(=O)N1CCC[C@H]1CN1CCCC1)c1ccccc1 67614095 XCRCZPKDXPRAKM-SFHVURJKSA-N 314.473 3.441 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H](n4ccnc4C)C3)cc2c1 69740771 ABHFIYYBIJWQKM-MRXNPFEDSA-N 322.412 3.459 0 40 DGAB CON(C)C(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 69813450 VLTMVRAGJWHXKR-UHFFFAOYSA-N 318.320 3.268 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1 71803467 IRIWHQUSQVQMRH-TZMCWYRMSA-N 308.447 3.026 0 40 DGAB CCOCCC(=O)N[C@H](Cc1ccc(C)cc1)c1ccccn1 71908749 NXHFDKUCTUMEFN-GOSISDBHSA-N 312.413 3.217 0 40 DGAB NC(=O)[C@@H](Sc1ncccc1Br)c1ccccc1 71914323 PBAYYADMYCPQDB-NSHDSACASA-N 323.215 3.163 0 40 DGAB O=C(c1nnsc1-c1ccccc1)N1CCc2ccccc2C1 72239991 UGYPATRPRKBFCI-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB O=C(Nc1ccc(Cl)nn1)c1cc(-c2ccccc2)no1 72281608 PGPZRZWCSRHDFJ-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB C[C@H](Nc1ccc(Cl)cn1)c1ccc(S(C)(=O)=O)cc1 72302469 CUHRTEFPPCQXAK-JTQLQIEISA-N 310.806 3.312 0 40 DGAB C[C@H](O)CNCc1cn(Cc2ccccc2)nc1-c1ccccc1 72714056 WOSVQLNBNUTKFJ-INIZCTEOSA-N 321.424 3.069 0 40 DGAB Cc1cc(C)n(Cc2cccc(-c3noc([C@@H]4CCCO4)n3)c2)n1 74449437 GSSYATVZXZAEHP-INIZCTEOSA-N 324.384 3.450 0 40 DGAB COc1cccc(NC2CCN(C(=O)[C@H](C)CSC)CC2)c1 77016898 GQDQTBFCCXMKCK-CYBMUJFWSA-N 322.474 3.097 0 40 DGAB O=C(Nc1nc2ncccc2[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)cc1 79112706 LICWBOZRQWUUJK-NWDGAFQWSA-N 312.760 3.354 0 40 DGAB Cc1nn(C)c(C)c1[C@H](OC(=O)c1ccoc1)C(F)(F)F 84011960 SLDWGUOWQQRJLT-NSHDSACASA-N 302.252 3.090 0 40 DGAB O=C(CCCn1cccn1)N[C@H]1CCSc2c(F)cccc21 95392678 QDJHKZXKHHRONJ-AWEZNQCLSA-N 319.405 3.156 0 40 DGAB COCc1nc(C)cc(N2CCC[C@@H]2c2nc3ccccc3[nH]2)n1 95411528 WEPZPOYLOZVAHW-OAHLLOKOSA-N 323.400 3.149 0 40 DGAB Cc1c(CCN[C@@H]2CC3(CCC3)Oc3ccccc32)cnn1C 95423924 NFBPJGRSZOVJEF-QGZVFWFLSA-N 311.429 3.307 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2cc(F)c(F)cc2F)C2CC2)n1 95450852 AQFMCYUZCILJCL-AWEZNQCLSA-N 321.302 3.083 0 40 DGAB Cc1cccnc1CNC(=O)NC[C@@H](C)Sc1ccccc1 96444025 FYKMPBLJLPNTHX-CQSZACIVSA-N 315.442 3.370 0 40 DGAB CSc1ccc(NC(=O)N2CCC(CO)CC2)cc1Cl 96447283 ZRIAGNDSHRMQMJ-UHFFFAOYSA-N 314.838 3.298 0 40 DGAB CC[C@@H](C(=O)N1CCC[C@H](COC)C1)c1ccc(OC)cc1 96492900 AQYFXRPHXFRMDI-WMLDXEAASA-N 305.418 3.074 0 40 DGAB C[C@H](C(=O)Nc1ccccc1N(C)C)N1CCc2ccccc21 97000111 SBDDGVLKLUIHCM-CQSZACIVSA-N 309.413 3.142 0 40 DGAB O=C(c1cccc(Oc2ccc(Cl)cc2)c1)N1CC[C@H](O)C1 97233180 HGONUITZUHDEGF-AWEZNQCLSA-N 317.772 3.339 0 40 DGAB Cc1ccc(NC(=O)C[C@@H](C)Nc2cc(C)nn2C)c(C)c1 97371340 JINNUMRBIJHJJZ-CYBMUJFWSA-N 300.406 3.175 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)cc1C 101275410 YQCVVOHHMZFNGV-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB Fc1ccccc1[C@@H]1C2=C(Nc3ncnn31)c1ccccc1OC2 101353434 FQQQXNGXQZWOSK-QGZVFWFLSA-N 320.327 3.236 0 40 DGAB N=C1C(c2nc3ccccc3s2)=C(O)CN1C[C@@H]1CCCO1 102744738 DHNHNORBRGPRHZ-JTQLQIEISA-N 315.398 3.037 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 104803273 JDFGTTCCVKMFBL-MJFSBKNWSA-N 300.402 3.200 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@@H]2CCCC[C@@H]21 106631347 COOVFBHTOVFCNA-KBXIAJHMSA-N 324.465 3.327 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H]2CC[C@H]1C2 109029244 XOFPARRMSVVCOW-INDMIFKZSA-N 312.457 3.203 0 40 DGAB CCCCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CC 222750886 LQTDGKHTXDGRQX-OAHLLOKOSA-N 304.434 3.120 0 40 DGAB COc1cccc(-c2cnc(CCC(=O)NC3CCCC3)o2)c1 224842891 YDFFDTKAWQDZOC-UHFFFAOYSA-N 314.385 3.342 0 40 DGAB O=C(Nc1cccs1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225679554 LRKGJOFUNGCWMZ-LBPRGKRZSA-N 316.382 3.498 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 253476816 BMXJAVIZWRDJMQ-LUYZLQTOSA-N 311.381 3.155 0 40 DGAB CN(CCc1ccccc1)Cc1cnc([C@@H]2CCCCO2)nc1 257202872 ANUDPRQVBVIJBQ-SFHVURJKSA-N 311.429 3.393 0 40 DGAB CC(C)(C)c1ccc(SCC(=O)Nc2ccc[n+]([O-])c2)cc1 585131473 XBQHKJUPLMAOEG-UHFFFAOYSA-N 316.426 3.348 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NC[C@]1(O)C=CCCC1 618257054 QEQOVKMSZBBNCB-KRWDZBQOSA-N 323.820 3.085 0 40 DGAB Cc1ccc(S(=O)(=O)N2CC[C@@H](c3cccs3)C2)s1 825199759 KYVZJFPZVPYGDW-LLVKDONJSA-N 313.469 3.296 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CC3(CCN(C(C)C)C3)C2)c1 1565555162 UYDQSZZFFMIIQB-UHFFFAOYSA-N 316.445 3.030 0 40 DGAB Cc1ccnc(N2CCC(COc3ccncc3Cl)CC2)n1 1889091928 XXAFENUANUDYAE-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB OC1CCN(c2nc3ccc(Br)cc3s2)CC1 1889102660 DLWBHRGMAMQYER-UHFFFAOYSA-N 313.220 3.020 0 40 DGAB COc1nc(Nc2ccccc2-c2ccccc2)nc(OC)n1 127790 BEMGHXPYNVBTPK-UHFFFAOYSA-N 308.341 3.299 0 40 DGAB O=C(O)CCC(=O)N(Cc1cccs1)Cc1cccs1 129432 HGSQUOOPTJJCLQ-UHFFFAOYSA-N 309.412 3.203 0 40 DGAB CCOC(=O)c1c(C)oc2ccc(O[C@@H](C)C(=O)OCC)cc12 407137 AVIGDSQYOCTOEU-NSHDSACASA-N 320.341 3.248 0 40 DGAB biogenic CC(C)CC(=O)NC(=S)Nc1nc2ccc(F)cc2s1 558217 OLGZQFHOFIDOKJ-UHFFFAOYSA-N 311.407 3.295 0 40 DGAB CC(=O)Nc1c(OC(C)=O)ccc2cc(Br)ccc12 1593863 YXWRCHQVFHDMTR-UHFFFAOYSA-N 322.158 3.486 0 40 DGAB COc1cc(NS(=O)(=O)c2ccc(C)c(C)c2)cc(OC)c1 2626864 YRGFSKURZAQJJI-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@H](c2cccc(F)c2)C1(F)F 3173930 JKBCIRZLTWPYNN-CQSZACIVSA-N 321.254 3.278 0 40 DGAB O=C(NC(=S)NCc1ccccc1Cl)c1cccs1 3225846 NBSXNLAENKYNRB-UHFFFAOYSA-N 310.831 3.206 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1c(C)cccc1C 3384234 RGGVDBYNBAFJAT-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB CCc1nnc(NC(=O)COc2cc(C)cc(C)c2C)s1 4342050 QZQBWARLLIUXNU-UHFFFAOYSA-N 305.403 3.043 0 40 DGAB Nc1nnc(CSCCOc2ccccc2Cl)s1 4551439 BZHMIUISHPUTDW-UHFFFAOYSA-N 301.824 3.086 0 40 DGAB CCCCn1nnnc1NCc1cc(Cl)ccc1OCC 7262133 IBERBLOIQSFTKN-UHFFFAOYSA-N 309.801 3.137 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc2c(c1)OCCO2 7407109 KQSIWYFXQNGDEY-UHFFFAOYSA-N 321.279 3.312 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccsc2)c1C 7855585 UWEQOUBLEVNERE-LLVKDONJSA-N 319.382 3.324 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)c1cnn(C)c1 8032183 CRZNNXYUMZSZLR-UHFFFAOYSA-N 313.445 3.307 0 40 DGAB Cc1ccc(NC(=O)CSCn2cc(Cl)cn2)c(C)c1 8782480 XJMHORDULFKNPY-UHFFFAOYSA-N 309.822 3.483 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)Nn1cnc2ccccc21 10403219 OCYHGGXRPWOVOA-UHFFFAOYSA-N 312.348 3.361 0 40 DGAB CCOc1ccc(CNC(=O)COc2cc(C)cc(C)c2)cc1 10448964 FPWKVXYJTSULJL-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1ccc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 12541545 LWQQKAJUXDDMFV-KRWDZBQOSA-N 305.381 3.432 0 40 DGAB c1csc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)c1 12757010 YNKNUUCKIURAFC-UHFFFAOYSA-N 315.383 3.166 0 40 DGAB CCC(=O)N(c1nnc(SCc2cc(C)on2)s1)C1CC1 12857280 KCEZPBLICVZMSD-UHFFFAOYSA-N 324.431 3.032 0 40 DGAB CC[C@H](C)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12929260 MEMTVIJXZMCZBY-FGEFZZPRSA-N 322.459 3.043 0 40 DGAB O=C(COc1ccc(Cl)cc1C(=O)O)Nc1ccccc1F 13083538 DCUGEKSEGYGMIQ-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB Cc1nccn1-c1ncc(-c2nc3cc(Cl)ccc3o2)cn1 13233675 FAGLQUSOKBMENB-UHFFFAOYSA-N 311.732 3.432 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc2c(c1)CCC2 14254285 JLUUDIILWZRXFG-AWEZNQCLSA-N 324.424 3.473 0 40 DGAB O=C1CN(C(=S)Nc2ccc(Cl)cc2)c2ccccc2N1 16273061 WBDFVAJITRPABP-UHFFFAOYSA-N 317.801 3.496 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](N)c1ccc(C(F)(F)F)cc1 19796205 BJJBEYFFWYLMAJ-LLVKDONJSA-N 304.312 3.230 0 40 DGAB Nc1cc(Cl)ccc1N1CCN(c2ccc(F)cc2)CC1 20353552 NBVCLRQHVBEIAV-UHFFFAOYSA-N 305.784 3.388 0 40 DGAB Cc1ccccc1NC(=O)[C@H](C)OC(=O)Cc1ccsc1 23972063 XOQSNNZWZNBLMZ-LBPRGKRZSA-N 303.383 3.169 0 40 DGAB CC(C)c1noc([C@H](C)Sc2nnc(-c3cccnc3)o2)n1 27778103 HUHYQYDUKSSNKC-VIFPVBQESA-N 317.374 3.491 0 40 DGAB CCCc1nnc(NC(=O)[C@@H](CC)Oc2ccccc2F)s1 27794653 FKGDQOGUNZCYDN-LLVKDONJSA-N 323.393 3.426 0 40 DGAB Cc1nn(COc2ccc(F)cc2F)c(C)c1NC(=O)C1CC1 28228930 NOCIDCGKSCNRGS-UHFFFAOYSA-N 321.327 3.163 0 40 DGAB Cc1ccc(C)c(NC(=O)c2ccn(Cn3nc(C)cc3C)n2)c1 28230998 JKFSPTUHCKVXLQ-UHFFFAOYSA-N 323.400 3.071 0 40 DGAB CN(C(=O)c1c[nH]c2cc(Cl)ccc2c1=O)c1ccccc1 28524807 HIJZTYXWNSFRDJ-UHFFFAOYSA-N 312.756 3.458 0 40 DGAB CCONC(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 29441207 UMWQWJNITHPPCB-KRWDZBQOSA-N 309.369 3.062 0 40 DGAB O=C(c1cnccn1)N1CCC[C@@H]1c1nc2ccccc2s1 31389348 AODMMPBOPLGGBA-CYBMUJFWSA-N 310.382 3.064 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2ccc3nc(C(C)(C)C)[nH]c3c2)cn1 32465694 HVYURJLHLWMVBA-VMPITWQZSA-N 323.400 3.246 0 40 DGAB COC(=O)[C@@H](C)OC(=O)c1cc(C(C)C)nc2ccccc12 32865433 GRIGTDZTDMDYIN-LLVKDONJSA-N 301.342 3.077 0 40 DGAB Cc1noc(-c2cccc(NC(=O)COc3ccccc3C)c2)n1 33012781 JNYVYECIGQUXQD-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c1C 36635413 LWJRJVGXQBEDSU-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CCc1cccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)c1 40098797 RFEXNGWLUWCTLL-INIZCTEOSA-N 320.339 3.382 0 40 DGAB CCOCCCNC(=O)Nc1cc(C)c(Cl)cc1OC 40099173 MVYSZOOGYTVLQW-UHFFFAOYSA-N 300.786 3.205 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)CC(C)(C)C)cn2)C[C@@H](C)O1 40142641 KIELYLKTRPUEOH-CHWSQXEVSA-N 305.422 3.070 0 40 DGAB O=S(=O)(Cc1ccccc1F)N[C@H]1CCCc2ccccc21 44848186 RTFPITJGPKTFHD-KRWDZBQOSA-N 319.401 3.323 0 40 DGAB CC(C)C(=O)Nc1cc(Cl)c2nc(NN)sc2c1Cl 45891514 GOTMRGUNILSPOT-UHFFFAOYSA-N 319.217 3.483 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H](C)Cn1ccnc1 47028210 JOGPTPOYHXPHOO-TZMCWYRMSA-N 318.446 3.052 0 40 DGAB O=C(NC[C@H]1CCCO1)N(Cc1ccco1)Cc1cccs1 48301615 GCJOAOLBPNTVIU-CYBMUJFWSA-N 320.414 3.232 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@H]2C[C@H](C)OC2=O)c1 54155804 JZCZBQAFZCJTNT-JSGCOSHPSA-N 302.399 3.285 0 40 DGAB CCn1nc(C)c2ncnc(NCCc3ccc(Cl)cc3)c21 57312460 ZJKIHGSXCDTULJ-UHFFFAOYSA-N 315.808 3.463 0 40 DGAB O=C(c1n[nH]nc1Nc1cccc(Cl)c1)N1CCCCCC1 67284636 KQURTUXQOOOPQY-UHFFFAOYSA-N 319.796 3.218 0 40 DGAB O=C(CCc1ccc2ccccc2c1)NC[C@H]1CCN(C2CC2)C1 69588033 MBVSRABGJKEGDN-QGZVFWFLSA-N 322.452 3.373 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1[C@H](O)C(F)(F)F 69702600 UYEQWRMTRQEIBM-QWRGUYRKSA-N 322.714 3.260 0 40 DGAB Cn1ccc2c(C(=O)N3CCCC[C@H]3Cn3cccn3)cccc21 69970410 OPGRKYRLNSXLRP-HNNXBMFYSA-N 322.412 3.070 0 40 DGAB CCOc1ncccc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 70016929 QSKWVFKFRDJUPS-UHFFFAOYSA-N 324.380 3.115 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c(C)n1C1CC1 71796869 WWRWMCJTQMYNCR-QGZVFWFLSA-N 312.417 3.151 0 40 DGAB Cc1nccn1Cc1ccc(NC(=O)/C=C/c2cccnc2)cc1 71890090 LEFIXIOGOPHOHK-RMKNXTFCSA-N 318.380 3.287 0 40 DGAB CN(CCc1ccccn1)C(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F 71903846 KKPYVMJAJSGCNJ-CVEARBPZSA-N 316.351 3.164 0 40 DGAB C[C@H]1CCCN(C[C@@H](C)NC(=O)c2scnc2C(C)(C)C)C1 72309554 UWKUIZHSLLTDCM-QWHCGFSZSA-N 323.506 3.291 0 40 DGAB COc1cccc(C(=O)Nc2ccc3nc(C)cc(N)c3c2)c1 72414097 NYCIPDBDRKTVRS-UHFFFAOYSA-N 307.353 3.386 0 40 DGAB O=C(Nc1nncs1)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 73516247 DBGKAIHISPVGLJ-DTWKUNHWSA-N 313.304 3.299 0 40 DGAB CS[C@H]1CCC[C@@H]1N(C)C(=O)CCn1ccnc1C(C)C 74195323 ZEEDNWCFJWMILO-KBPBESRZSA-N 309.479 3.139 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@H](C)c1c(F)cccc1OC 74739711 PKOBPRIWZIPJQU-OLZOCXBDSA-N 324.396 3.106 0 40 DGAB CC(C)(C)C(=O)NCCNCc1ccc(Cl)c2cccnc12 89621331 QZBXLXJZZIPUPM-UHFFFAOYSA-N 319.836 3.140 0 40 DGAB C[C@H](O)C[C@@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 89895295 ISZYECWOVMVINV-FZMZJTMJSA-N 321.808 3.125 0 40 DGAB CSc1cc(C(=O)N2CC[C@@](C)(O)C2)c(Cl)cc1Cl 95415601 KMWDGUWIDLSLHM-CYBMUJFWSA-N 320.241 3.312 0 40 DGAB O=C(N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21)c1c(F)c(F)cc(F)c1F 95418776 DOOASQRWQMIIOF-RCAYSMOQSA-N 321.273 3.311 0 40 DGAB CCC/C=C/CCN1CCN(C(=O)c2cc(F)ccc2F)CC1 95442954 PLKZKKSTHAPXNE-SNAWJCMRSA-N 322.399 3.469 0 40 DGAB CCN(C)CCN(CC)c1ccc(Br)cc1F 95915698 ITDYDEWJFGRVLQ-UHFFFAOYSA-N 303.219 3.366 0 40 DGAB COC(=O)c1nc(N2CCSCC2)sc1-c1ccccc1 95942022 ZXMFQJPFLDIJIQ-UHFFFAOYSA-N 320.439 3.150 0 40 DGAB O=C(NC[C@@H]1CCC[C@H](O)C1)N[C@@H]1CCCc2cc(F)ccc21 95980873 JSTLCONRLKGWFH-ISTRZQFTSA-N 320.408 3.053 0 40 DGAB Cc1cnc(N2CCC3(CC2)C[C@H](N(C)C)c2ccccc23)nc1 96079193 XVNTZBSHYWDDQQ-SFHVURJKSA-N 322.456 3.330 0 40 DGAB CO[C@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C)s1 96104688 XGMOBYLJLYNUMA-CQSZACIVSA-N 323.389 3.078 0 40 DGAB CO[C@](C)(CNC(=O)Cc1ccc(F)cc1)c1ccccc1F 96123453 CVDSZOAEGYBGJX-GOSISDBHSA-N 319.351 3.185 0 40 DGAB Cc1noc(Cc2csc(NC(=O)Nc3cccs3)n2)n1 96124308 NMCPXOSLFVSOMO-UHFFFAOYSA-N 321.387 3.131 0 40 DGAB Cc1csc(C[C@H]2OC[C@H]3CN(Cc4ccoc4)CC[C@H]32)n1 96209854 GWTQTJNHKPQJQS-BZUAXINKSA-N 318.442 3.124 0 40 DGAB Cc1cccc(CN2CCC3(CC2)CNCc2ccccc23)n1 96242613 WVMDVCFUMPRWHX-UHFFFAOYSA-N 307.441 3.027 0 40 DGAB CCOc1ncccc1NC(=O)N[C@H](c1nccs1)C1CC1 96434056 ZGDJEJAVWQPJEZ-LBPRGKRZSA-N 318.402 3.210 0 40 DGAB Cc1nc(C)c(CNC(=O)NCc2cccc(Cl)c2)s1 96437427 IJKVCRWESXYUOL-UHFFFAOYSA-N 309.822 3.413 0 40 DGAB O=C(CCc1ccccn1)NC[C@@H]1SCCc2ccccc21 96454665 RASFGXPLZPUAGB-KRWDZBQOSA-N 312.438 3.161 0 40 DGAB CCc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 96511486 WSYIZSYMQWLECG-UHFFFAOYSA-N 322.364 3.431 0 40 DGAB O=C(O)C1CCN(c2cc(-c3ccccc3)nc(C3CC3)n2)CC1 96516933 VQZOTWWTIARIAW-UHFFFAOYSA-N 323.396 3.322 0 40 DGAB CO[C@@H](C(=O)N[C@H](c1nccs1)C1CC1)c1ccccc1 97059475 AFMNHDFOCNOIJJ-UONOGXRCSA-N 302.399 3.098 0 40 DGAB CCOc1cccc(COc2cc(C)ccc2NC(C)=O)n1 97085493 XWANHSHETURTNM-UHFFFAOYSA-N 300.358 3.326 0 40 DGAB CCOc1ccc(CN2CCC[C@H](c3nc(C)no3)C2)cc1 97153557 FRGBWNMVTWFOHA-HNNXBMFYSA-N 301.390 3.156 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]2C(=O)N1C12CC4CC(CC(C4)C1)C2)C31CC1 100639793 RZPKBKIEUXFXQC-XCTTZUJWSA-N 323.436 3.152 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](c3nc(C)no3)C2)C1(C)C 106829716 MLMGSHVRBLDZDT-ZNMIVQPWSA-N 317.433 3.322 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1cccc2cc[nH]c12 110623963 WZBQFYLEFMDEFY-QEJZJMRPSA-N 312.369 3.026 0 40 DGAB CCOc1ccc(CNC(=O)[C@H](C)c2c(C)n[nH]c2C)cc1C 131741841 YHBTVJQSXIVXGW-GFCCVEGCSA-N 315.417 3.154 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)Nc1cc(C)n(C)n1 133036876 FNDJADAEQOTRNG-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(C)=O 222824220 VZVCNMKNUVVKML-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCC(C)CC2)nc1 223878358 NYYFJFHGQRRIDP-UHFFFAOYSA-N 306.479 3.260 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NCC 224266363 TZZHUSFUCVPBIJ-INIZCTEOSA-N 304.434 3.038 0 40 DGAB COc1ccc(NC(=S)NCc2cccnc2)c2cccnc12 225333090 FOJISIURZIROSW-UHFFFAOYSA-N 324.409 3.125 0 40 DGAB CCOc1cccc(CNC(=S)Nc2cc(C)ccn2)c1 225441098 UNAGQXWQDXYTIN-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB CCc1nc2n(n1)CCC[C@@H]2NCc1ccc([C@H]2C[C@H]2C)o1 246164626 DVPBFXUQDZHPCX-XBFCOCLRSA-N 300.406 3.182 0 40 DGAB Cc1ccccc1NC(=O)N1CCC(Oc2ccncc2)CC1 252501533 UHCDWXQMGUOKHK-UHFFFAOYSA-N 311.385 3.465 0 40 DGAB COc1ccccc1C(=O)N1CCC(Cc2ccncc2)CC1 257261211 LGEQHSBGZVMNKB-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB Cc1cccc2nc(NCc3nnc(C(C)C)n3C)sc12 281611777 ZEXAAYYCAXVAKR-UHFFFAOYSA-N 301.419 3.469 0 40 DGAB Cc1cccc(Oc2ccccc2C(=O)N(C)Cc2ncon2)c1 390835575 RDBGMESETZVNPJ-UHFFFAOYSA-N 323.352 3.443 0 40 DGAB Cc1cccc(NC(=O)CSc2nc(C)c3c(n2)CCC3)c1 408580258 BNXNISSAZQPJRX-UHFFFAOYSA-N 313.426 3.313 0 40 DGAB CCCCn1cc(I)c(COC(C)C)n1 408716965 UARIERWMFBRPLX-UHFFFAOYSA-N 322.190 3.213 0 40 DGAB COc1nc2ccccc2cc1CNCc1cn2c(n1)CCCC2 540809442 FDBQIIISSWITKD-UHFFFAOYSA-N 322.412 3.066 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCc2sc(Cl)cc2C1 572604548 RTBVNCLEOIKTGV-UHFFFAOYSA-N 308.790 3.465 0 40 DGAB NC(=O)c1cnc([C@H]2CCCCN2CCc2ccccc2)s1 585180163 ZWDFTKFKYRZQMT-CQSZACIVSA-N 315.442 3.012 0 40 DGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCCN1 953030386 LGMVZPUDISDHSC-FQEVSTJZSA-N 308.425 3.154 0 40 DGAB Nc1oc2cc(O)ccc2c(=O)c1-c1nc2ccccc2s1 307536 ZBBJAMXAQOBUGW-UHFFFAOYSA-N 310.334 3.358 0 40 DGAB biogenic Cc1n[nH]c(=O)nc1Nc1ccccc1Sc1ccccc1 934672 MTMSUGXBJZPBTI-UHFFFAOYSA-N 310.382 3.368 0 40 DGAB Cc1nc(SCC(=O)N2CCCC2)c2c(C)c(C)sc2n1 1333020 AYMUJCKKJKGHTD-UHFFFAOYSA-N 321.471 3.331 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)c2sc3ncnn3c2C)cc1 1404981 RNHKSVMGPQATPG-LLVKDONJSA-N 301.371 3.326 0 40 DGAB Nc1nnc(SCc2c(F)c(F)c(F)c(F)c2F)s1 2171272 IBIIBQKDJHVVMI-UHFFFAOYSA-N 313.276 3.108 0 40 DGAB COC(=O)c1ccc(COC(=O)c2ccc(Cl)cc2O)cc1 2630244 OXWQZVARUGVCBM-UHFFFAOYSA-N 320.728 3.189 0 40 DGAB O=C(COc1ccc(F)c(Cl)c1)N1CCc2ccccc21 3245962 OZTQSYDKRCXZMC-UHFFFAOYSA-N 305.736 3.447 0 40 DGAB CC(C)N(C(=O)COC(=O)c1ccc2ccccc2n1)C(C)C 3274361 OUMYPYVNYWBXFB-UHFFFAOYSA-N 314.385 3.037 0 40 DGAB O=C(OCC(=O)N1CCCC1)c1ccccc1Nc1ccccc1 3466185 SNYQILPCXUYCOD-UHFFFAOYSA-N 324.380 3.209 0 40 DGAB Brc1cccc2c3c4n(c12)C[C@H]1CO[C@]4(CCC3)O1 3999899 ZOWFPMLIIOJIMT-BJOHPYRUSA-N 320.186 3.322 0 40 DGAB COc1ccccc1-c1nn(CN2CCCCC2)c(=S)o1 4360870 AQWZTAMBTPHLRY-UHFFFAOYSA-N 305.403 3.325 0 40 DGAB Cc1ccc([C@H]2SCC(=O)N2c2ccc(C(=O)O)cc2)cc1 5546266 BOBNDQGZUIJXTI-MRXNPFEDSA-N 313.378 3.472 0 40 DGAB COc1ccc(/C=C/C(=O)OCC(=O)c2cccs2)cc1 6055005 YIVFBAHTOFXQNC-RMKNXTFCSA-N 302.351 3.196 0 40 DGAB O=c1[nH]c2ccccc2nc1CSc1nncc2ccccc12 6188436 OZDZJYFXRHOXAI-UHFFFAOYSA-N 320.377 3.159 0 40 DGAB COc1ccccc1CC(=O)Nc1nc2c(s1)CCCC2 6342526 HLMGVMRHFSPAEP-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB Cc1cc(C(=O)COC(=O)C2CCC2)c(C)n1-c1nccs1 6639930 QCIHAEPEJIVLEM-UHFFFAOYSA-N 318.398 3.077 0 40 DGAB O=C(C[C@@H](NCc1ccccc1)C(=O)O)c1ccc(Cl)cc1 6885205 YJBVCPGXVGEGJU-OAHLLOKOSA-N 317.772 3.156 0 40 DGAB CCCn1nnnc1NCc1ccccc1OCc1ccccc1 7263464 RXGGYDJXAPDKJC-UHFFFAOYSA-N 323.400 3.274 0 40 DGAB O=C(NCc1ccccc1Cl)[C@@H]1COc2ccccc2C1 8273588 CSDFPSZXCLNNJM-AWEZNQCLSA-N 301.773 3.208 0 40 DGAB O=c1c2ccccc2nc(C2CCC2)n1-c1ccc2c(c1)OCO2 8736065 QGDNONTZEANRPC-UHFFFAOYSA-N 320.348 3.382 0 40 DGAB Cc1sc2nc(SCCO)n(C3CCCC3)c(=O)c2c1C 8877265 SKEPYMARAZAYOL-UHFFFAOYSA-N 324.471 3.274 0 40 DGAB COc1ccccc1NC(=O)c1cc(Cl)c2c(c1)OCCO2 8943440 YCWUAIZAZUQHMM-UHFFFAOYSA-N 319.744 3.372 0 40 DGAB CCOC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCCC2 9517180 BRTQUNLJEKBLNB-UHFFFAOYSA-N 302.349 3.457 0 40 DGAB O=C(NCc1cnn(-c2ccccc2)c1)Nc1ccc(F)cc1 10464383 LQPUEJWALTZTRK-UHFFFAOYSA-N 310.332 3.333 0 40 DGAB CC(C)(C)CC(C)(C)NC(=O)CCNC(=O)c1ccccc1 10474068 WXSLZFMNXKMWLZ-UHFFFAOYSA-N 304.434 3.138 0 40 DGAB COc1ccc(NC(=O)CCc2ccc(F)cc2)cc1OC 18115972 OFQGDWXYSIVOCD-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB CSc1ncccc1C(=O)Nc1ccc(F)c([N+](=O)[O-])c1 19163309 NTVHWOJXNNHKBD-UHFFFAOYSA-N 307.306 3.103 0 40 DGAB CCCN(Cc1ccccc1)Cc1nc2ccsc2c(=O)[nH]1 21918858 ZEXNYUQMGVVTMA-UHFFFAOYSA-N 313.426 3.397 0 40 DGAB CC(=O)Nc1cc(NCC(=O)Nc2ccc(C)cc2)ccc1F 24362178 VOWPZFPPGFYUKQ-UHFFFAOYSA-N 315.348 3.143 0 40 DGAB O=C(Nc1ccccc1F)N1CCO[C@H](c2ccccc2)C1 25533572 KXEVZYYYOZYSNX-INIZCTEOSA-N 300.333 3.431 0 40 DGAB C[C@@H](Nc1nc2ccccc2o1)c1ccc2c(c1)NC(=O)CO2 25570348 OPBXSRJQTPLCTL-SNVBAGLBSA-N 309.325 3.332 0 40 DGAB Cc1cc(C(=O)Nc2ccnn2Cc2ccccc2Cl)on1 26386916 UPMYSFVJZYWRCF-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB N=C(N)CCc1cc(Br)c(Br)s1 26898009 ZYNLHWOPXHPZNZ-UHFFFAOYSA-N 312.030 3.142 0 40 DGAB C[C@H]1CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C[C@@H](C)O1 27024679 OIELKWRUCPJWBR-KLBPJQLPSA-N 306.233 3.213 0 40 DGAB CCOc1ncccc1NC(=O)c1cccc(Br)c1 27587515 SKEIAZKNMRTNAV-UHFFFAOYSA-N 321.174 3.495 0 40 DGAB CCN1C(=O)c2ccccc2N[C@H]1c1cc2ccccc2[nH]c1=O 30543337 UHXPYACYFUSYEF-QGZVFWFLSA-N 319.364 3.115 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)C1CCCC1 32803605 LWRSGJDMICHLFM-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCC[C@H](OCC(F)(F)F)C1 32818385 QPULVRIBNTUDFQ-MNOVXSKESA-N 305.296 3.208 0 40 DGAB C[S@](=O)Cc1cccc(C(=O)Nc2ccc3ccccc3n2)c1 32879596 ZHOFCVQSCKIQLI-HSZRJFAPSA-N 324.405 3.366 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCCCC1)NC1CC1 36075798 ATYNGVCOJYUWJB-CQSZACIVSA-N 307.463 3.127 0 40 DGAB COc1ccc2c(c1)[C@@H](CCNCc1ccc3c(c1)OCO3)C=N2 38207976 GNRQVJHOAQLEPM-AWEZNQCLSA-N 324.380 3.403 0 40 DGAB C[C@@H](CNC(=O)[C@]1(C)CC1(Cl)Cl)N(C)c1ccccc1 40107989 BDACQVFNEMDZOY-FZMZJTMJSA-N 315.244 3.211 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(OCc2cscn2)c(OC)c1 40497863 DWDLQKQZVAMPEA-NSHDSACASA-N 320.414 3.259 0 40 DGAB CCOc1ccc(C)cc1S(=O)(=O)N[C@@H](C)c1ccccc1 41095164 DQRFJSJKMIPUCD-AWEZNQCLSA-N 319.426 3.433 0 40 DGAB C[C@H](NC(=O)NCCCn1ccnc1)c1ccc(Cl)s1 44946461 QIWOVELFYURUTL-JTQLQIEISA-N 312.826 3.049 0 40 DGAB Cc1nc(CN[C@H](C)c2ccc3c(c2)CCC(=O)N3)cs1 44949441 BEOIVQVTMUOZQJ-SNVBAGLBSA-N 301.415 3.187 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 47173831 PBVUTDXKFBUHJR-LRDDRELGSA-N 308.385 3.475 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2cc(F)cc(F)c2)C1 47415969 BSUYUODMVXVPRG-CHWSQXEVSA-N 310.388 3.063 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1CCC[C@@H](C)C1)c1ccc(Cl)cc1 48324730 IUEPFWXMIFHMBN-WBMJQRKESA-N 322.836 3.166 0 40 DGAB COc1cc(Cl)ccc1C(=O)NCCc1nc(C)cs1 49399053 WSCATHTWTQNMTH-UHFFFAOYSA-N 310.806 3.086 0 40 DGAB CN(C(=O)Cc1csc(-c2ccccn2)n1)C1CCCC1 53333186 QWMUPCUDHJCWHQ-UHFFFAOYSA-N 301.415 3.149 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@H]21 57083287 COOVFBHTOVFCNA-KBUPBQIOSA-N 324.465 3.327 0 40 DGAB CCCn1ccnc1SCC(=O)c1ccc(OC)c(F)c1 58158379 IGXKCDSIQUTNDO-UHFFFAOYSA-N 308.378 3.416 0 40 DGAB C[C@@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1cccnc1 58266708 UNSXSDCIMQHXOJ-ZYHUDNBSSA-N 322.459 3.377 0 40 DGAB Cc1cc2n(n1)C[C@H](CNCc1ccc3[nH]c(C)c(C)c3c1)CN2 58292645 IENAEQVLWIFGSX-MRXNPFEDSA-N 323.444 3.121 0 40 DGAB COc1ccc(-c2nc(CC(C)C)nn2-c2ccccn2)cc1O 65405071 PFSRLADDTBTCQJ-UHFFFAOYSA-N 324.384 3.242 0 40 DGAB O=C(NCc1noc(-c2ccco2)n1)[C@@H]1CCCc2ccccc21 65563949 YSZUBTSHICIPJO-CQSZACIVSA-N 323.352 3.066 0 40 DGAB Clc1ccc(Br)c(I)n1 71257003 PNKGIZKPKHAJOI-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB Cc1cc(C(=O)NCc2ccco2)c2cnn(C3CCCC3)c2n1 71280022 LENHCYXTEBAJFN-UHFFFAOYSA-N 324.384 3.378 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Cc1ccc(OCC(C)C)cc1 71883222 XLKHTZGSIPQPPJ-UHFFFAOYSA-N 301.390 3.243 0 40 DGAB Cc1noc([C@H](C)[S@](=O)Cc2ccc(F)cc2Cl)n1 71888554 DAVHKSKFLMQWIY-IIYDVTGLSA-N 302.758 3.180 0 40 DGAB Cc1ncsc1C(=O)N(Cc1cccnc1)Cc1ccco1 71972030 NQDRZNXKPFLVFQ-UHFFFAOYSA-N 313.382 3.282 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccn(-c3ccccc3)n2)c1 72269874 WUIGYUREZGSYMW-HZPDHXFCSA-N 309.417 3.117 0 40 DGAB CC(C)Cc1nnc([C@H](C)N2CCC(N3CCCCC3)CC2)o1 72275450 AKQOHDXXYQRQNJ-HNNXBMFYSA-N 320.481 3.279 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)[C@@H](C)c2cc(C)oc2C)no1 72299196 AQLLJCXRORWUMQ-SMDDNHRTSA-N 317.389 3.309 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@@H](C)c1nc(C(C)(C)C)no1 72299746 RHLXREACPNOSPB-AAEUAGOBSA-N 317.437 3.312 0 40 DGAB O=C(O)c1ccc2c(C(F)(F)F)cc(C(F)(F)F)nc2n1 72319858 DRAUWGYAQKRJFV-UHFFFAOYSA-N 310.153 3.366 0 40 DGAB O=C(N[C@@H]1CC2(CCCCC2)Oc2ccccc21)c1cncnc1 72346616 XMEZISIKWSYTKH-MRXNPFEDSA-N 323.396 3.433 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccccc2F)ccc1OC 74935030 WRBULUOJTFHOPJ-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB COCCc1noc(CN2[C@@H](C)CCC[C@@H]2c2ccccc2)n1 75109057 ISLWXGMAOYUMJN-GOEBONIOSA-N 315.417 3.374 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](NCc2ccccc2)[C@@H](F)C1 78710487 JXBLMDWEOQDVAC-GJZGRUSLSA-N 308.397 3.124 0 40 DGAB CC1CCN(c2ccc(C(=O)N[C@@H](C)c3cccnc3)cn2)CC1 78737050 UTCZTRMKSSSLBC-HNNXBMFYSA-N 324.428 3.204 0 40 DGAB C[C@H]1CSCCN1C(=O)Nc1nc(-c2ccccc2)ns1 78868887 XNAXMLNDKSFBPS-JTQLQIEISA-N 320.443 3.174 0 40 DGAB Cc1ccc([C@H]2C[C@H](C)CCN2C(=O)NCc2nccn2C)o1 78952688 KHMQLNQRQMRSGF-TZMCWYRMSA-N 316.405 3.004 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)NCCc2cccs2)cc1F 79029606 GNXJNPNLSKVXPY-NSHDSACASA-N 322.405 3.055 0 40 DGAB COc1cccc(CNC(=O)C2CCC2)c1OC1CCCC1 79094386 JJSABQWDECBRKS-UHFFFAOYSA-N 303.402 3.433 0 40 DGAB CC[C@@H](CNC(=O)[C@@H]1CCCC[C@@H]1C(=O)O)c1ccccc1 80343801 GYNOORPTNAEXOA-IMJJTQAJSA-N 303.402 3.187 0 40 DGAB O=C(NCc1nccn1CCc1ccccc1)c1cccs1 81931086 TWXGIONFGKWPKK-UHFFFAOYSA-N 311.410 3.117 0 40 DGAB Cc1cc(C(=O)NN(c2ccccc2)c2ccccc2)n(C)n1 84101777 FZLWMAOUORADHM-UHFFFAOYSA-N 306.369 3.212 0 40 DGAB C[C@@H](CSc1ccccc1Br)CS(C)(=O)=O 84640637 ALRDEIVQYGRILE-VIFPVBQESA-N 323.277 3.222 0 40 DGAB Cc1ccoc1[C@@H](C)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 89515252 YYUCBNYFHMADEZ-QWHCGFSZSA-N 322.430 3.371 0 40 DGAB Cc1ccc(C)c([C@@H]2CCCN2C(=O)CNCC(F)(F)F)c1 89616430 GPQPXPKLBSUWEK-AWEZNQCLSA-N 314.351 3.119 0 40 DGAB COc1ccc(C)cc1CSc1cnn(C)c(=O)c1Cl 95412208 RLJHTEJZVOPYQQ-UHFFFAOYSA-N 310.806 3.043 0 40 DGAB Cc1cc(CNc2ccc3[nH]ncc3c2)ccc1-n1cncn1 95431134 TZGQLTONPOGAOJ-UHFFFAOYSA-N 304.357 3.064 0 40 DGAB CC(C)n1nccc1NC(=O)N[C@H](C)C[C@@H](O)c1cccs1 95433476 UDJREWFVDCZDSK-VXGBXAGGSA-N 322.434 3.159 0 40 DGAB C[C@@H](C(=O)N(C)[C@H](C)c1cnn(C)c1)c1ccc(Cl)s1 95464436 RNCCZOPFKOEUOA-NXEZZACHSA-N 311.838 3.458 0 40 DGAB Cn1ncc2c1[C@@H](COCC1CC1)CN(Cc1cccs1)C2 96198265 LFNCHUOGYUMGLH-OAHLLOKOSA-N 317.458 3.008 0 40 DGAB COCCCCNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1F 96439093 CUGOOGLHLUFDLT-XJKSGUPXSA-N 308.397 3.345 0 40 DGAB CCc1noc(CSc2ccc(Cl)c(C(=O)OC)c2)n1 96460992 LWXYYRCRVYFCNB-UHFFFAOYSA-N 312.778 3.364 0 40 DGAB Cc1cc(C)n2c(CNc3nnc(CC(C)C)s3)cnc2n1 96495325 KLAABSPHSJQWBK-UHFFFAOYSA-N 316.434 3.008 0 40 DGAB CCc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2)o1 97019355 KGBOVUOYNOMFOP-AWEZNQCLSA-N 301.342 3.096 0 40 DGAB Cc1cscc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)O 97035742 WEWLPVRXNUABAC-FZMZJTMJSA-N 303.383 3.248 0 40 DGAB C[C@H](Cc1cccs1)C(=O)Nc1cc(C(=O)O)ccc1F 97036167 GGTJHZFLFFUZKK-SECBINFHSA-N 307.346 3.403 0 40 DGAB C[C@H](CN1CCC(c2nncn2C)CC1)c1cccc(Cl)c1 97103883 PAWPYWBTANGCLN-CYBMUJFWSA-N 318.852 3.452 0 40 DGAB CC(C)CC[C@@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 97235050 DAJJXRGLBYUIPI-AWEZNQCLSA-N 314.433 3.257 0 40 DGAB Cc1ccc(NC(=O)C[C@H](C)Nc2cc(C)nn2C)c(C)c1 97371341 JINNUMRBIJHJJZ-ZDUSSCGKSA-N 300.406 3.175 0 40 DGAB C[C@@H](NC(=O)Cc1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 106523887 FOTRPQNJJTWSOL-WXSAJPJJSA-N 323.440 3.356 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1N[C@H](C)c1ccncc1 108087544 HYPASAYFPYCQCY-BFYDXBDKSA-N 303.450 3.015 0 40 DGAB COCCN(Cc1cccnc1)C(=O)c1ccc(Cl)c(C)c1 128214966 STCAKGBZIVWNBJ-UHFFFAOYSA-N 318.804 3.332 0 40 DGAB FC(F)(F)[C@H]1CCCN(c2cc(N3CCCCC3)ncn2)C1 171542779 SBMZBFABOCTQMR-LBPRGKRZSA-N 314.355 3.246 0 40 DGAB COCc1ccccc1NC(=O)NC[C@H]1CCO[C@@H]1C(C)(C)C 189395296 ODGYERHTUXVZOH-CJNGLKHVSA-N 320.433 3.406 0 40 DGAB C[C@H]1CCCC[C@@H]1CNCc1ccc(CS(C)(=O)=O)cc1 195559837 KOZGYRYCSYHXLC-WMLDXEAASA-N 309.475 3.147 0 40 DGAB O=C(Cc1cccnc1)NCc1cncc(-c2ccsc2)c1 206948153 SDMMTXDGXBFQDB-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB Cc1cccc(OCC(=O)NCCCc2ccc(F)cc2)c1 222753876 QUQUSCGCTVVAGE-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB COc1ccc([C@H](NC(=O)C(F)F)c2ccccc2OC)cc1 225627181 LCPLWFSFXDPJKU-HNNXBMFYSA-N 321.323 3.175 0 40 DGAB O=C(c1ccsc1)N1CC[C@@H](N2CCc3ccccc3C2)C1 225684132 GNMOTQNULQNGCA-QGZVFWFLSA-N 312.438 3.021 0 40 DGAB CCOc1cc(/C=C/C(N)=O)ccc1OCc1ccc(C)cc1 226365202 OENPZZVLCUNEEH-PKNBQFBNSA-N 311.381 3.471 0 40 DGAB CCc1nc2ccccc2c(NC[C@@]2(CCO)CCOC2)c1C 252482140 CZOMKPSIIXBWGB-LJQANCHMSA-N 314.429 3.307 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)c2cc(C)cs2)ccn1 257263157 LOQPEHNVACKFEA-CYBMUJFWSA-N 301.415 3.471 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCCC[C@H](c2ccccc2)C1 390828659 SQMQJSUDPSWHMR-INIZCTEOSA-N 303.402 3.124 0 40 DGAB Cc1ccccc1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714274 MRZWOHUYMAEUGL-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB CCCCn1ncc(I)c1COC(C)C 408717210 WYCRVQCXLXLVLK-UHFFFAOYSA-N 322.190 3.213 0 40 DGAB COCO[C@@H]1CCCN(c2ccccc2[C@H](N)CC(C)C)C1 504544567 HVWGQJMMDGGTPN-NVXWUHKLSA-N 306.450 3.322 0 40 DGAB CCOC(=O)C[C@@](C)(NCc1nc(C)cs1)c1ccccc1 585081738 RRPNHPWBFDWPSC-QGZVFWFLSA-N 318.442 3.410 0 40 DGAB Fc1ccc(OC[C@@H]2CCCO2)c(-c2cn3c(n2)CCC3)c1 585120271 CTGJIUMYZQUHMS-ZDUSSCGKSA-N 302.349 3.193 0 40 DGAB CC(=O)Nc1ccc(CN2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888850440 QWRXPQBXWVGUSD-ROUUACIJSA-N 324.428 3.210 0 40 DGAB C[C@@H](c1ccccc1)N1CCC[C@H](C(=O)N2CCSCC2)C1 1889138905 FXIMIWBQKOOTRB-RDJZCZTQSA-N 318.486 3.035 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2C)cc1 68651 DDAFGCDPVBHUSV-UHFFFAOYSA-N 316.368 3.132 0 40 DGAB CCOC(=O)Cn1nc(-c2ccccc2)nc1-c1ccccc1 411225 NUHOOPVZCRNWQQ-UHFFFAOYSA-N 307.353 3.175 0 40 DGAB Cc1ccc(-c2cc(C(=O)N[C@@H](C)c3cn(C)nc3C)no2)cc1 2798148 PUGHZHUHKBDXMR-LBPRGKRZSA-N 324.384 3.183 0 40 DGAB CN1C(=O)N(c2cccc3ccccc23)[C@@H](n2cncn2)C1(C)C 4338644 BCDJIKXCCLHOFI-MRXNPFEDSA-N 321.384 3.281 0 40 DGAB CCn1cnc2cc(NC(=O)COc3ccc(C)cc3)ccc21 4941515 VXRXCRHCNNRKRD-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CCn1nc(NC(=O)[C@@H]2CCCO2)c2cc3cccc(C)c3nc21 5478443 HRJDRHBPHVPJSM-AWEZNQCLSA-N 324.384 3.030 0 40 DGAB Cc1nc2ccccc2n1CC(=O)NCc1ccc(Cl)cc1 5627883 NBKCOFHSRIANGG-UHFFFAOYSA-N 313.788 3.315 0 40 DGAB CC1(C)[C@H](C(=O)O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1 6263474 AYNJJXTYXMESPL-SUMWQHHRSA-N 323.820 3.483 0 40 DGAB CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1F 6651385 BVTCARSYGJJMHG-UHFFFAOYSA-N 319.810 3.361 0 40 DGAB NC(=O)c1cc(-c2csc(Nc3ccccc3)n2)ccc1O 6787183 HIFWZQNCMNKNNP-UHFFFAOYSA-N 311.366 3.358 0 40 DGAB CC(C)(CO)NCc1cccc(OCc2ccccc2F)c1 6883172 GGUYZXLIPNXOMA-UHFFFAOYSA-N 303.377 3.265 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccccc3C)C2=O)cc1 7214024 FOLSAIFRWOCCOV-MRXNPFEDSA-N 308.381 3.301 0 40 DGAB CN(Cc1ccccc1Cl)S(=O)(=O)c1cccs1 7218336 UZCYFLIDHRWPKX-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB O=C(Cc1cccs1)Nc1nnc(-c2ccccc2)s1 7345190 DTTFLNKESMNJLP-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CCOCCn1cnc2scc(-c3ccc(C)cc3)c2c1=O 7375094 SZJBJDSQSQEJHI-UHFFFAOYSA-N 314.410 3.470 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)Nc1ccoc1C)CC2 8133025 BUBXMIIVTSONHX-UHFFFAOYSA-N 316.357 3.195 0 40 DGAB Cc1ccc(NC(=O)Cn2ccc3ccccc3c2=O)cc1C 8222813 DYRSIMKHAAGNLD-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB CC(C)c1ccc(C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 8935561 NSXVDJRUBVORCU-UHFFFAOYSA-N 317.410 3.466 0 40 DGAB CCc1nnc(NC(=O)CCCOc2ccccc2C)s1 9045283 VKXQUXSMWSQREX-UHFFFAOYSA-N 305.403 3.207 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1cncn1-c1ccccc1 9319463 UIESPGMHCIVQSL-MRXNPFEDSA-N 319.364 3.126 0 40 DGAB CC(C)c1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)cc1 9876429 PXWPPZKJNPQFJZ-AWEZNQCLSA-N 305.491 3.438 0 40 DGAB O=C(COc1ccc(N2CCCC2=O)cc1)c1ccc(F)cc1 12428997 WOZXAPMKMIVBQS-UHFFFAOYSA-N 313.328 3.214 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)c1cc(-c2ccccc2)[nH]n1 12550191 PRFCDHQUOMLQNI-UHFFFAOYSA-N 309.344 3.488 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 13260723 NXJNBWFQZLMJRI-SSDOTTSWSA-N 320.147 3.069 0 40 DGAB Fc1ccc(-c2nn3c(-c4ccco4)nnc3s2)c(F)c1 13689491 FWAMUVKZYJJXIO-UHFFFAOYSA-N 304.281 3.391 0 40 DGAB CCCN1CCn2c(nc3cc(NC(=O)c4ccco4)ccc32)C1 13721560 DPESNAGFITXDDZ-UHFFFAOYSA-N 324.384 3.107 0 40 DGAB Cc1cc(C)cc(-c2nnc(S[C@@H]3CCCCNC3=O)o2)c1 14183130 WCAMUGAYWPRODI-CYBMUJFWSA-N 317.414 3.114 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)Nc1cccc(Cl)c1 16524976 UNZJVNWLBXXQOQ-CYBMUJFWSA-N 318.760 3.302 0 40 DGAB C[C@@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 17323544 CGNLGJDMLGQOHM-OAHLLOKOSA-N 305.381 3.422 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCc2ccc(F)cc2)c1 18114658 XXLUHUQDYOOPCV-UHFFFAOYSA-N 300.333 3.355 0 40 DGAB O=C(OCc1ccc(C(F)(F)F)cc1)c1cc(O)ccc1O 19075503 VOIUGENQXGWZGB-UHFFFAOYSA-N 312.243 3.474 0 40 DGAB Cc1nn(-c2ccc(Br)cc2)c(C)c1CCC(=O)O 19256217 YDUDATUPXHFEDZ-UHFFFAOYSA-N 323.190 3.269 0 40 DGAB CCn1cc(CN2CCC[C@H](c3cc4cccnc4[nH]3)C2)c(C)n1 19524541 IXTHEGPMHCWFGN-INIZCTEOSA-N 323.444 3.467 0 40 DGAB Cc1ccc(C)c(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c1 19937208 JKZPRUHEBFPUKJ-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB CC(C)(C)c1ccc(Cn2c(=N)n(CCO)c3ccccc32)cc1 19973661 HBCSFGJQHHHLJH-UHFFFAOYSA-N 323.440 3.260 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2ccc(C)cc2C)C1 19974147 PPQXCNRXZOAVRV-UHFFFAOYSA-N 323.440 3.434 0 40 DGAB CC1CCN([C@H](CN)c2ccccc2OC(F)(F)F)CC1 20016660 LDSVURVHZNNSHU-CYBMUJFWSA-N 302.340 3.317 0 40 DGAB CCn1c(=N)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 20158834 ZSEPWAPGCKEZFW-MRXNPFEDSA-N 315.804 3.329 0 40 DGAB COc1ccc(NC(=O)c2ccccc2Br)c(N)c1 20343268 UQBDJYAGSNFGCS-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CCOc1cccc(CNS(=O)(=O)Cc2cccc(C)c2)c1 20452687 UTALKEVQRRCJNJ-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB CC(C)OC(=O)c1ccc(NC(=O)CCc2ccco2)cc1 21335548 GPQWHYYEAQMHHC-UHFFFAOYSA-N 301.342 3.416 0 40 DGAB COC(=O)c1ccc(F)c(NC(=O)CCc2ccsc2)c1 26500467 GQLKKKBDCIDXJM-UHFFFAOYSA-N 307.346 3.245 0 40 DGAB CC1(C)CN(C(=O)c2csc(-c3ccsc3)n2)CCO1 27639019 IDEFUCPLQFHONX-UHFFFAOYSA-N 308.428 3.123 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2ccc3ccccc3n2)cc1 32819078 UTPSLOXDKABSDZ-UHFFFAOYSA-N 319.364 3.374 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)Nc1ccccc1F 33040329 IVGNOAABOVXYBQ-UHFFFAOYSA-N 315.348 3.306 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccc(C)c2)N1 34689633 TVICYPJVNPJQDC-ZWKOTPCHSA-N 320.392 3.253 0 40 DGAB Cn1cccc1C(=O)CSc1ccc(C(F)(F)F)cn1 34990524 PXTFUTQIVXQRPX-UHFFFAOYSA-N 300.305 3.414 0 40 DGAB O=C(NCc1nc(-c2cccc(Cl)c2)no1)c1cccs1 35538215 SWTUJAUQETZAHT-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB Cc1cc(NC(=O)N[C@H](c2nc3ccccc3[nH]2)C(C)C)no1 39540156 OBLCHLFZPFKKJE-AWEZNQCLSA-N 313.361 3.378 0 40 DGAB C[C@H](Sc1ncccn1)C(=O)N1c2ccccc2CC[C@@H]1C 40489547 PKJPCKKPJHQALK-STQMWFEESA-N 313.426 3.325 0 40 DGAB CCC[C@]1(C)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 40538764 QDUOTLAALANCOZ-HNNXBMFYSA-N 319.386 3.014 0 40 DGAB CCc1c(C)sc2nc(CC(=O)c3ccoc3C)[nH]c(=O)c12 53843410 DJHFPWOLYRYYON-UHFFFAOYSA-N 316.382 3.182 0 40 DGAB CCN(CC)C(=O)NC1CCN(Cc2ccc(Cl)cc2)CC1 54001760 ZTBZTCLXPUJTFQ-UHFFFAOYSA-N 323.868 3.356 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(Cn2cccn2)cc1 58426930 MRXATEXQOSWOQE-GFCCVEGCSA-N 324.384 3.278 0 40 DGAB CCN(C)c1ccc(C(=O)NCc2cn3ccc(C)cc3n2)cc1 66921593 WONZSCIVHPCKJY-UHFFFAOYSA-N 322.412 3.029 0 40 DGAB COc1cc(F)ccc1NC(=O)N[C@H](C)c1c(C)nn(C)c1C 67664260 QXZSWQIEZDYKLD-SECBINFHSA-N 320.368 3.067 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2-c2nncn2C)cc1C 68726775 LVBLZYQJSOFTJQ-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CN[C@@H](C)[C@H](C)n1cccn1 69368393 DYEPKCCEIDOMOL-RYUDHWBXSA-N 309.845 3.133 0 40 DGAB CC(C)NC(=O)N(C)[C@H](c1ccc(F)cc1)c1cccnc1 69667267 LSKDORBPEFNEBE-MRXNPFEDSA-N 301.365 3.360 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 69930130 SKMWMIZQJDOIJQ-LJQANCHMSA-N 323.440 3.086 0 40 DGAB O=C(NCC1CCN(c2ccncc2)CC1)Nc1cccs1 70928875 AACWDQDHDFBFKS-UHFFFAOYSA-N 316.430 3.181 0 40 DGAB Cc1cc(-n2cccn2)ccc1-c1nccn1CCc1cnc[nH]1 71315224 AQYGHWQQARSUCI-UHFFFAOYSA-N 318.384 3.010 0 40 DGAB Cc1ncsc1C(=O)Nc1nnc(CC2CCCC2)s1 71799922 PROQNCKRYYJCME-UHFFFAOYSA-N 308.432 3.288 0 40 DGAB C[C@H](C1CC1)N(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 71826952 ZMYNPJYSSZCTDZ-GFCCVEGCSA-N 313.376 3.415 0 40 DGAB COC(=O)c1sc(NC(=O)CCc2c(C)noc2C)cc1C 72280594 OEWSDJMLJUOFCA-UHFFFAOYSA-N 322.386 3.019 0 40 DGAB COc1ccc([C@@H](CO)N(C)C(=O)Nc2ccc(F)cc2)cc1 72282427 UUNQRCYATBTNHQ-MRXNPFEDSA-N 318.348 3.032 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc3occc(=O)c3c2)s1 72404331 IBXGEJWVFFFSFC-UHFFFAOYSA-N 300.339 3.119 0 40 DGAB O=C(NCc1ccc(-c2cccnc2)cc1)c1ccc(F)nc1 72542056 KIUQTEVRDOTVAZ-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB Cc1cnc(CN(C)[C@@H](c2ccc(F)cc2)c2ncccn2)o1 72630002 ATKIIOGHQBARRQ-INIZCTEOSA-N 312.348 3.134 0 40 DGAB COCc1ccccc1NC(=O)N[C@@H]1C[C@@](C)(OC)C1(C)C 74941786 OWCOBCLONULGJP-RHSMWYFYSA-N 306.406 3.158 0 40 DGAB COc1cccc(C2(C(=O)NCC[C@H](O)C(C)C)CCCC2)c1 76022745 GHNIXHZLLVOUPG-KRWDZBQOSA-N 319.445 3.030 0 40 DGAB CSc1ccc(-c2csc(CN3CCOCC3)n2)cc1 78594761 BZJCYHVJTVPQJW-UHFFFAOYSA-N 306.456 3.364 0 40 DGAB CCCCn1c(S[C@@H]2CCN(C3CC3)C2=O)nc(C)c1C 79014645 ZUWPISOJHCFVEM-CQSZACIVSA-N 307.463 3.155 0 40 DGAB O=C(NCCCOc1cccc2cccnc12)[C@@H]1C[C@H]1C1CC1 84493971 PEEDVEVHKRRJFH-JKSUJKDBSA-N 310.397 3.166 0 40 DGAB CS[C@H](C)CNC(=O)C[C@H](O)c1cc(Cl)cc(Cl)c1 89340942 PLBFDBSTNIYPHQ-PELKAZGASA-N 322.257 3.285 0 40 DGAB CC(C)n1ccc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)n1 89894110 WNQMUSBDZDIQTC-CQSZACIVSA-N 315.421 3.104 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N2CC[S@](=O)C(C)(C)C2)c1 95418139 IUBQULGMNRGGGC-HXUWFJFHSA-N 314.838 3.023 0 40 DGAB CCN(CC(=O)NN(Cc1ccccc1)c1ccccc1)C1CC1 95432193 QFNFDKPHGWRJOM-UHFFFAOYSA-N 323.440 3.209 0 40 DGAB CC(C)C(=O)N(C)c1cccc2c1CCCN2C(=O)C(C)C 95446989 OBRGQSPQCOXNHT-UHFFFAOYSA-N 302.418 3.241 0 40 DGAB O=C1CCC[C@H]2[C@H](N1)[C@@H](c1ccccc1)CN2Cc1ccccc1 95951703 MHLMBYWVPBTMRI-SVFBPWRDSA-N 320.436 3.323 0 40 DGAB biogenic COC(=O)[C@@H](C)CN(Cc1ccc(OC(C)C)cc1)C1CC1 95963735 MFBREHNJOAWSFQ-AWEZNQCLSA-N 305.418 3.247 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)[C@@H](O)c2ccccc2)CC1 95979268 YIYSNUAZIUVGSB-IBGZPJMESA-N 324.424 3.132 0 40 DGAB COc1ccc([C@@H]2C[C@H](C)CN2Cc2cnc3cnccn23)cc1 95982909 FTPFVWFGMFIVKC-KSSFIOAISA-N 322.412 3.321 0 40 DGAB CCC(CC)n1nccc1C(=O)Nc1cccc(C(=O)O)c1 95989462 ZEHXDRYRXSALPT-UHFFFAOYSA-N 301.346 3.195 0 40 DGAB CCOC[C@H]1CN(Cc2ccoc2)Cc2nn(CC3CC3)cc21 96060471 DVFZMYMWUCSPEH-MRXNPFEDSA-N 315.417 3.022 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(-c3ccncc3)no2)cc1 96100815 ONGSEHKDHATABK-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(CS[C@H]1CCCCc2ccccc21)NC1CCOCC1 96448034 OSPGXAYXGBCGLX-KRWDZBQOSA-N 319.470 3.483 0 40 DGAB CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@H](C)C(=O)O)o1 97018320 IQWZGEXXVZOOIF-NHYWBVRUSA-N 301.342 3.034 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)o1 97018894 SBYKTCMIVSQZNW-QWHCGFSZSA-N 319.744 3.051 0 40 DGAB Cn1ccnc1-c1nnc(NC(=O)[C@@H]2CCCC(C)(C)C2)s1 97021667 BMRKSRULUPWHMP-SNVBAGLBSA-N 319.434 3.094 0 40 DGAB O=C(Nc1nc(-c2ccoc2)n[nH]1)c1cc(F)cc2cccnc12 97032353 CVCIZZKAJBJTGX-UHFFFAOYSA-N 323.287 3.004 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@H](c3ccccc3F)C2)n1 97142690 JHKYLDKZXMXECY-HNNXBMFYSA-N 315.348 3.135 0 40 DGAB O=C(Nc1cc(Cl)cc2c1OCC2)N1CCOC2(CCC2)C1 97380026 ZFZCVCDYZUTCKU-UHFFFAOYSA-N 322.792 3.062 0 40 DGAB CCN1CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1 98087170 JPLYDKHTWLLWIF-UHFFFAOYSA-N 308.381 3.364 0 40 DGAB C[S@](=O)(=NC(=O)Nc1cccnc1Cl)c1ccccc1 100016122 ODCUKAOYNQRNLD-HXUWFJFHSA-N 309.778 3.424 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1ccccc1 100752565 KRSJVMFDNYHXNB-RDJZCZTQSA-N 304.397 3.300 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2ccc(OC)cc2)C1=O 101275692 OGKDHIPSRTXIRI-INIZCTEOSA-N 324.380 3.002 0 40 DGAB CC[C@]1(C)Cc2ccccc2-c2nc3nnc(S)n3c(O)c21 102910502 MQPXLMOBBCTTHV-MRXNPFEDSA-N 312.398 3.009 0 40 DGAB CS(=O)(=O)Nc1nc(-c2ccccc2C(F)(F)F)cs1 130078454 GBBXPTXZNGVMBE-UHFFFAOYSA-N 322.333 3.200 0 40 DGAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2ccc(O)cc2)S1 222579993 JWAHDGJZDNYHEF-XZJROXQQSA-N 311.410 3.377 0 40 DGAB CCOc1ccc(C(N)=O)cc1COc1ccccc1Cl 224474094 RGUOCLWTEZWDDQ-UHFFFAOYSA-N 305.761 3.417 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(OC)c2)cc1COC 224686012 XSUODQUVBCWAHK-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C[C@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)C1 241965647 UUSLBHXQPNJXLF-VKSUQKOCSA-N 321.505 3.334 0 40 DGAB CC(C)N1CCCc2cc(I)ccc21 256050791 GNSDKSJPLRRDQY-UHFFFAOYSA-N 301.171 3.452 0 40 DGAB CC(=O)N1CCC(c2cccc(-c3ccc(C(=O)O)cc3)n2)CC1 257263403 LPUBGVHRRFPVNM-UHFFFAOYSA-N 324.380 3.173 0 40 DGAB Cc1cc2cc(C(=O)N3CCC[C@@H](c4ccn[nH]4)C3)ccc2o1 257272246 NBPQFXQJSZBFHZ-CQSZACIVSA-N 309.369 3.484 0 40 DGAB CCCn1nc(C)c(C(=O)N2CCCC[C@H]2c2ccn[nH]2)c1C 257294859 QWAJJOJXXJSNQG-HNNXBMFYSA-N 315.421 3.000 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2CC2=Cc3ccccc3OC2)n1 257298663 RMUOBRWSFXCXOG-QGZVFWFLSA-N 309.413 3.341 0 40 DGAB CCOC(=O)c1cc(-c2ccc(Br)c(F)c2)on1 260216465 LRZZFLMORMDMJN-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB COCCN1C(=O)S/C(=C/c2ccc(OC(C)C)cc2)C1=O 409135675 QUUBEHZGDQEJQK-GXDHUFHOSA-N 321.398 3.157 0 40 DGAB Fc1ccc(CCN2CCc3nc(C4CC4)ncc3C2)cc1F 528734977 AYFAFXLQHGFYKQ-UHFFFAOYSA-N 315.367 3.233 0 40 DGAB C[C@H]1CN(C(=O)Nc2cccc3c2CCNC3=O)c2ccccc21 580172234 WLAYESZNCRCSNY-LBPRGKRZSA-N 321.380 3.128 0 40 DGAB CCC(CC)CN1CCC[C@@]2(C1)CN(Cc1cncs1)C2=O 585099578 RARTZFNNBWIKOG-QGZVFWFLSA-N 321.490 3.004 0 40 DGAB Cc1cccc([C@@H](C)N2CCC(N3CCCOCC3)CC2)c1 585133508 KACHZIVCJQGZCV-QGZVFWFLSA-N 302.462 3.243 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)[C@@H]1CC=CCC1 585147907 HBTSKPFAOVFWRN-SJORKVTESA-N 311.381 3.453 0 40 DGAB Cc1ccc(Cl)cc1N1CCN(c2ncnc(C)c2F)CC1 1888856728 HCBIBRQVCPVTHJ-UHFFFAOYSA-N 320.799 3.213 0 40 DGAB c1coc(Cn2ccnc2SCc2n[nH]c3c2CCCC3)c1 1889145785 WKLVYGRBGKRSCM-UHFFFAOYSA-N 314.414 3.419 0 40 DGAB Fc1ccc2c(=NCc3ccc(-c4ccoc4)nc3)[nH]cnc2c1 2087159639 DQPPTLJFSGDMQX-UHFFFAOYSA-N 320.327 3.458 0 40 DGAB O[C@]1(c2cccs2)C[N+]2=C(CCCCC2)N1c1ccccc1 407652 ZHSUDMIUUHCBQX-SFHVURJKSA-N 313.446 3.398 0 40 DGAB COc1ccc(C(=O)N[C@H](c2ccc(F)cc2)C(C)(C)C)nn1 78076398 KTQVBGVXWBQDBC-OAHLLOKOSA-N 317.364 3.142 0 40 DGAB CC1(n2nc(-c3ccccc3)n(-c3ccccc3)c2=O)CSC1 1633664 UUGAPWQWFKPLTE-UHFFFAOYSA-N 323.421 3.163 0 40 DGAB CC1(C)CCc2cc(CC(=O)Nc3nccs3)ccc2O1 79494678 IPQYNENWKLPINT-UHFFFAOYSA-N 302.399 3.428 0 40 DGAB Cc1nc(-c2ccc(NC(=O)[C@@H]3CCCN(C)C3)cc2)oc1C 6500432 JEJGRYBUIYRIMA-OAHLLOKOSA-N 313.401 3.239 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)n1C 23564987 TWRSWWFILSUGOM-CQSZACIVSA-N 308.385 3.010 0 40 DGAB Cc1ccc(O)c(NC(=O)c2cc(-c3ccccc3O)no2)c1 6873228 ILXJRVFNOYSWRQ-UHFFFAOYSA-N 310.309 3.314 0 40 DGAB O=C(NCCc1ccccn1)N1CCC[C@H]1c1ccsc1 42964511 RHQMULNPXHUCIE-HNNXBMFYSA-N 301.415 3.232 0 40 DGAB C1C[C@@H]2[C@@H]3[C@H]1O[C@H]1C[C@]14[C@H]1[C@H]5CC[C@@H]6O[C@H]7C[C@@]78[C@H]([C@H]65)[C@@H]1[C@@H]([C@@H]34)[C@@H]28 104288630 JBQGDLRPBXUISA-RFUWIDOISA-N 322.448 3.105 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccccc1F 24690788 BSUMHMBIRWZQDD-LBPRGKRZSA-N 316.332 3.129 0 40 DGAB C[C@H](Oc1ccc(F)cc1)c1ccnc2nc(-n3cccc3)nn12 1382945 UVYGAAMVVKXJTD-LBPRGKRZSA-N 323.331 3.194 0 40 DGAB CCc1ccc(-n2c(=O)c3[nH]c4ccccc4sc=3c2=O)cc1 105329791 VLNGUPHVOOPILJ-UHFFFAOYSA-N 322.389 3.028 0 40 DGAB CCOC(=O)c1ccoc1CSc1ncc2ccccn12 26372456 AJQIKXINFFKCTK-UHFFFAOYSA-N 302.355 3.396 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCC[C@H]1CN1CCCC1 58060297 NQWAVSOODRIHCM-HNNXBMFYSA-N 307.825 3.432 0 40 DGAB O=S(=O)(Oc1ccc2ccc(O)cc2c1)c1ccccc1 2069636 NBYLQKOQSRYNHJ-UHFFFAOYSA-N 300.335 3.313 0 40 DGAB CCc1cc(O)cc2c3c([nH]c12)[C@@](CC)(CC(=O)O)OCC3 21981208 GQHWDDBALZVXBU-QGZVFWFLSA-N 303.358 3.089 0 40 DGAB world CCOc1ccc([C@H](C)NC(=O)Nc2cc(C)on2)cc1OC 44915983 DPXLCHBQJQIQQC-NSHDSACASA-N 319.361 3.273 0 40 DGAB CCCCC(=O)NC(NC(=O)CCCC)c1ccccc1OC 2172455 JKMDEMSXSOCMRU-UHFFFAOYSA-N 320.433 3.307 0 40 DGAB CN(C)c1ccc(C(=O)N(Cc2cccnc2)C2CC2)cc1F 58304655 YDVNCMCKNJMYPI-UHFFFAOYSA-N 313.376 3.092 0 40 DGAB CCc1nnc([C@H]2Cc3ccccc3CN2Cc2cc(C)no2)o1 58427967 WPXNEMVCQCOIQS-MRXNPFEDSA-N 324.384 3.228 0 40 DGAB CCOc1ccc(CN(CCN(C)C)Cc2ccncc2)cc1 22913751 GELWMSNQRCHHAD-UHFFFAOYSA-N 313.445 3.044 0 40 DGAB CCn1nc(C)c2c(C(=O)N3C[C@@H](C)C[C@H](C)C3)cc(C)nc21 28222231 OOLHNIPNYHCDLG-RYUDHWBXSA-N 314.433 3.186 0 40 DGAB Cc1ccc(C)c(C(=O)Cn2nnc(-c3ccccc3C)n2)c1 2628846 AXFOWLCAJLUXNK-UHFFFAOYSA-N 306.369 3.148 0 40 DGAB COc1cc(NC(=O)CSc2nc(C)cs2)cc(OC)c1 3414015 OGCCFUJKYJQRMD-UHFFFAOYSA-N 324.427 3.200 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2cccc(Cl)c2)c1 13069234 YTDASUOSRSWMAQ-UHFFFAOYSA-N 318.804 3.419 0 40 DGAB CNc1nc2c(s1)[C@@H](c1ccc(C(=O)OC)cc1)CC(O)=N2 71283646 VFPFZGHQBXOETN-SNVBAGLBSA-N 317.370 3.095 0 40 DGAB Cc1ccc(-c2nnn(CCCc3nc4ccccc4o3)n2)cc1 63414521 ZHHASFPVYXBXIB-UHFFFAOYSA-N 319.368 3.423 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)CCc3ccsc3)ccc21 49507080 RARIVKIMVNFMEW-UHFFFAOYSA-N 314.410 3.228 0 40 DGAB Cn1nccc1C(=O)Nc1nc2c(ccc3ccccc32)s1 13655291 VMINAOJIIGFXLG-UHFFFAOYSA-N 308.366 3.435 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2Br)c(O)c1 19505149 VIIZPNANLLAXAJ-UHFFFAOYSA-N 322.158 3.416 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)N2CCc3ccccc32)c1 14185056 WDDPLXUCEUYZBN-UHFFFAOYSA-N 310.353 3.458 0 40 DGAB O=C(OCC(=O)c1ccccc1F)c1ccc2ccccc2n1 5849935 URJVTNIORYOFIC-UHFFFAOYSA-N 309.296 3.414 0 40 DGAB Cc1nc(SCC(=O)NCC(C)C)cc(-c2ccccc2)n1 19862612 NVJAUSAZRMWZIV-UHFFFAOYSA-N 315.442 3.316 0 40 DGAB c1cncc(-c2nc(-n3nnc4ccccc43)c3ccccc3n2)c1 8079465 ULURFDVYQUQHMX-UHFFFAOYSA-N 324.347 3.426 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)c2ccc(C)o2)n1 70037411 OMEZHEXDEYHKMD-OAHLLOKOSA-N 301.390 3.096 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1 69322046 QFWSMBSHEDNIAI-CABZTGNLSA-N 303.387 3.059 0 40 DGAB CCc1c(C(=O)N[C@H](C)c2ccc(C)o2)cnn1-c1ccccn1 69453252 LTYARHGDYLBZEQ-CYBMUJFWSA-N 324.384 3.222 0 40 DGAB Cc1nc(-c2cccc(NC(=O)N[C@@H](C)[C@@H](C)CO)c2)oc1C 71921139 DGNUNBFSTOKFMO-QWRGUYRKSA-N 317.389 3.097 0 40 DGAB COc1ccccc1-c1cc(C(=O)O)n2c(n1)nc1ccccc12 8425001 ICEBUPOEUWDIGS-UHFFFAOYSA-N 319.320 3.256 0 40 DGAB Cc1nc(Cc2nnc(SCc3cscn3)o2)cs1 69696638 BNRAICYGUJURRC-UHFFFAOYSA-N 310.429 3.174 0 40 DGAB CCOc1ccc(CN[C@@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 69921445 XNAYDKDODNEZCK-LBPRGKRZSA-N 311.385 3.106 0 40 DGAB COc1cc(OC)c(OC)cc1/C=C1/N=C(C(C)(C)C)OC1=O 96935758 MWVMTMJMDPDEDS-YRNVUSSQSA-N 319.357 3.055 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)c(F)c1 97032935 FVWOUDNTKZKXOK-LBPRGKRZSA-N 307.365 3.097 0 40 DGAB Cc1cccnc1[C@H](NC(=O)[C@H]1Cc2ccccc2O1)C(C)C 72285460 FVFZQZJWNUPJGE-IAGOWNOFSA-N 310.397 3.207 0 40 DGAB COc1ccc(Cn2cc(Br)cn2)c(Cl)c1 95963484 WSBQWNBSMPTPEV-UHFFFAOYSA-N 301.571 3.356 0 40 DGAB Cc1cc(F)ccc1NC(=O)N1CC[C@H](CN2CCCCC2)C1 97164625 NYKMSEWCPHSRLH-OAHLLOKOSA-N 319.424 3.474 0 40 DGAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cccnc1 72405879 QLPSBWQBPHDIOT-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB CC[C@@H](C)n1ncc(C(=O)Nc2ncccc2O)c1C1CC1 97371240 HZOFCTSSRLLIPQ-SNVBAGLBSA-N 300.362 3.084 0 40 DGAB CCNC(=O)c1cccc(C)c1OCc1noc2c1CCCC2 75142460 BAYJJSUSRBJILU-UHFFFAOYSA-N 314.385 3.191 0 40 DGAB Cc1nnc2ccc(N[C@@H]3CC4(CCC4)Oc4ccccc43)nn12 89740955 YKLGOHWFTAHMNR-CQSZACIVSA-N 321.384 3.291 0 40 DGAB Cc1cc(O)ccc1CC(=O)N(C)CCc1ccc(F)cc1 1548631285 IYAXSRDWWTUDRO-UHFFFAOYSA-N 301.361 3.083 0 40 DGAB O=C(NCC[C@H]1CCCO1)c1ccc(C2SCCS2)cc1 23876062 SHSIKVNNZPSEEI-CQSZACIVSA-N 323.483 3.464 0 40 DGAB Cc1cc(C)nc(Sc2oc(C=O)cc2Br)n1 408555708 IAPUQITZBQOPAT-UHFFFAOYSA-N 313.176 3.413 0 40 DGAB CCCCC[C@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 32824533 ZPIOAIYNMRSDRU-ZDUSSCGKSA-N 316.405 3.149 0 40 DGAB FC(F)(F)[C@@H]1CCC[C@H](NCc2nnc3n2CCCCC3)C1 129186852 SSEJVMFFPXUXBF-NEPJUHHUSA-N 316.371 3.215 0 40 DGAB COc1cc2c(cc1OC)/C(=C\c1ccccc1F)C(=O)OC2 33692897 QFIRRRHZQPHXLB-VGOFMYFVSA-N 314.312 3.440 0 40 DGAB CCOc1cc2c(cc1CN[C@H](C)c1cn[nH]c1C)O[C@H](C)C2 180014019 HDMWDCPXDLVJGG-VXGBXAGGSA-N 315.417 3.291 0 40 DGAB CCCc1nc(COc2ccc(NC(=O)COC)cc2)cs1 79097253 ZMUKIWUSDMVJHA-UHFFFAOYSA-N 320.414 3.260 0 40 DGAB Cc1cc(C(=O)NC[C@](C)(O)c2cc3ccccc3o2)c(C)o1 217983890 JDIVMBIRCSOGGX-SFHVURJKSA-N 313.353 3.280 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@](C)(O)CCc2ccccc2)c1 62021421 QKXDNRQIKFYRQL-HXUWFJFHSA-N 311.425 3.417 0 40 DGAB O=S(=O)(CCc1ccccc1)N1CC[C@@H](c2ccsc2)C1 675008128 CNCCCYXPXGWQHM-OAHLLOKOSA-N 321.467 3.110 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)c1cnn(C(C)C)c1 72239202 KIZIURQHOPZLIO-UHFFFAOYSA-N 313.810 3.227 0 40 DGAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCOC 38771676 HLGAKNAHXCOQBV-CYBMUJFWSA-N 301.839 3.363 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2cccc(C)c2C)c1 72331170 ZRDGAYCUIIGQKD-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB CNC[C@H]1CCN(C(=O)c2ccccc2Nc2ccc(C)cc2)C1 563142950 SGBSLLNGBYEAEW-MRXNPFEDSA-N 323.440 3.420 0 40 DGAB COc1ccc(CNC(=O)Nc2ccccc2OC)c(OC)c1 44845630 SNHZHILEDXDJHA-UHFFFAOYSA-N 316.357 3.034 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCc2ccc(Cl)cc2)c1 41288583 HZFXPUQAYLDTBM-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB Cc1cccc2cc(C(=O)NCc3ccc4c(c3)OCO4)oc12 41306852 ZVXQEQJENZBOHM-UHFFFAOYSA-N 309.321 3.400 0 40 DGAB Cc1cc(C)n(-c2nc3ccc(SCCO)cc3s2)n1 45946566 NVOBXFREAFPJCW-UHFFFAOYSA-N 305.428 3.183 0 40 DGAB COc1ccccc1[C@@H](NC1CCN(C(C)=O)CC1)C(C)(C)C 96493813 OUUFGCGHRGOANB-GOSISDBHSA-N 318.461 3.383 0 40 DGAB COC[C@H](NC(=O)Nc1cccc(Cl)c1OC)c1ccco1 96445912 QNIAGNGVLHKDLV-LBPRGKRZSA-N 324.764 3.451 0 40 DGAB CN1CCN(C2=Nc3cc(F)ccc3Cc3ccccc32)CC1 26247473 OBWGMKKHCLHVIE-UHFFFAOYSA-N 309.388 3.056 0 40 DGAB biogenic,investigational CC(C)[C@H](Cn1nccn1)NC(=O)c1ccc(C(C)(C)C)cc1 238919885 SWUICISPNFKOGP-INIZCTEOSA-N 314.433 3.030 0 40 DGAB CC(C)OCc1cccc(NC(=O)NCc2ccn(C)c2)c1 96448393 IPYDSQVTUIQYAG-UHFFFAOYSA-N 301.390 3.272 0 40 DGAB CN(C)c1nc([C@@H]2CCCN2C(=O)C(C)(C)C)cn2cccc12 257279917 OISGAMXZEUTLAS-AWEZNQCLSA-N 314.433 3.110 0 40 DGAB CC(=O)NCc1ccc([C@@H]2CCCN2Cc2ccccc2C)nc1 257324366 WOJZLCIQQZGACZ-FQEVSTJZSA-N 323.440 3.363 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccc(F)cc3)C2)n1 257304840 SNJFOAUPEHPCMN-OAHLLOKOSA-N 315.392 3.196 0 40 DGAB O=C(CNCc1cnc2ccccc2c1)OCc1ccccc1 255187524 FDUUXAVVGDTBBQ-UHFFFAOYSA-N 306.365 3.068 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 257338317 YWWKYJXVJUIVPA-KRWDZBQOSA-N 322.412 3.496 0 40 DGAB CN(C)c1cc([C@H]2CCCN(C(=O)c3cccs3)C2)ccn1 257243198 IFWBCVPGPRQOLL-AWEZNQCLSA-N 315.442 3.229 0 40 DGAB CC1(c2nccs2)CCN(C(=O)Cc2ccccc2F)CC1 257290848 QEPJJRDJGBRZMI-UHFFFAOYSA-N 318.417 3.405 0 40 DGAB Cc1csc(C(=O)NCc2cnc([C@H]3CCCCO3)nc2)c1 257228252 FTCCABLAAXBFRU-CYBMUJFWSA-N 317.414 3.018 0 40 DGAB CC(C)c1nc(/C=C/c2cn(C)nc2C(F)F)ncc1C(=O)O 291312197 DAUSXLXDRBKWEB-SNAWJCMRSA-N 322.315 3.140 0 40 DGAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccccn1 585108943 GZOCEMXSAOCPQS-SNRMKQJTSA-N 321.424 3.018 0 40 DGAB O=C(O)c1c(OC2CC2)cnc2ccc(Br)cc12 685936904 FECLRQGOHRCWNF-UHFFFAOYSA-N 308.131 3.237 0 40 DGAB CC(C)(C)c1nnc(Sc2nccc(C(F)(F)F)n2)o1 70037729 UZBYMNGRUMCFFH-UHFFFAOYSA-N 304.297 3.327 0 40 DGAB O=C(Nc1ccccc1OC(F)(F)F)c1ncncc1Cl 95964090 TUHOTDVBPPPLIQ-UHFFFAOYSA-N 317.654 3.281 0 40 DGAB COc1ccc([C@H](C)NCc2ccc([S@@](C)=O)cc2)c(F)c1 90221501 OTXDVGSSXAENNP-YTEVENLXSA-N 321.417 3.423 0 40 DGAB Cc1cccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)c1 479137 FPFUAFWCJDTUFJ-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB CCOc1ccc(NC(=O)COc2cccc(OC)c2)cc1 5465688 YOUUDBAODTXZQP-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C1CCCC1)c1ccc(F)c(F)c1 12115021 YGCCXNFREVTFHI-HNNXBMFYSA-N 319.355 3.094 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCc2ccc(Cl)cc2)C1 12170037 KSBZZJRLSSHLLD-JKIFEVAISA-N 311.853 3.195 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc2c(c1)CCC2)c1cccs1 13389669 FJNDCSGFMJMLCN-AWEZNQCLSA-N 315.394 3.183 0 40 DGAB C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccncc1 19459770 ZIAUPOBDEJBCHB-NSHDSACASA-N 311.316 3.367 0 40 DGAB COc1cc(NC(=O)C2CCCCC2)ccc1N1CCCC1=O 10220926 NJNTUQYBSJECFF-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB O=C(Cc1csc2nc(-c3ccc(F)cc3)cn12)NC1CC1 10741103 GJPAYHFRWAYDFF-UHFFFAOYSA-N 315.373 3.023 0 40 DGAB O=c1c2cc(F)ccc2[nH]c(=S)n1CCc1ccccc1 425289 CCHAPFODNWKYOF-UHFFFAOYSA-N 300.358 3.441 0 40 DGAB CSc1nnc(CSc2ncccn2)n1-c1ccccc1 2706053 MPQCJRYXERVQJO-UHFFFAOYSA-N 315.427 3.072 0 40 DGAB O=C(c1ccco1)N1CCN=C1SCc1ccccc1F 4120563 QNHXUNARPQACGB-UHFFFAOYSA-N 304.346 3.164 0 40 DGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCCC1 12444048 YJDFZVNNYNYVTN-UHFFFAOYSA-N 317.364 3.036 0 40 DGAB CCOC(=O)c1ccc(C(=O)C(F)(F)Br)cc1 575362013 UXOVFYXBSJUHCO-UHFFFAOYSA-N 307.090 3.034 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)cc1)[C@H]1CC=CCC1 585147904 HBTSKPFAOVFWRN-DLBZAZTESA-N 311.381 3.453 0 40 DGAB COc1ccc(CNCc2cnn(-c3ccccc3)c2)c(OC)c1 30654007 GKESVCPKPVRUQT-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB COc1ccc(C2=C[C@H](c3ccccc3F)n3ncnc3N2)cc1 101037813 WFZGAZQRDHXJEU-QGZVFWFLSA-N 322.343 3.482 0 40 DGAB Cc1nc(C2(NC(=O)c3cccc(Cl)c3)CCCC2)no1 32901895 NLBWAMPBNXMQLJ-UHFFFAOYSA-N 305.765 3.231 0 40 DGAB C[C@H]1COCCN1C(=O)c1csc(-c2ccc(Cl)cc2)n1 33050302 TWPCEOVMXIBGSO-JTQLQIEISA-N 322.817 3.324 0 40 DGAB Cc1csc(NC(=O)CCc2nc(-c3ccccc3)no2)n1 22131155 XTSYFHVLOJXEOL-UHFFFAOYSA-N 314.370 3.073 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 148386 JNWAQCZTTPAYSJ-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2nc3c(s2)CCCC3)c1 151147 XNWQQVWZQVFQSF-UHFFFAOYSA-N 318.398 3.291 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H]1CCCN1C(=O)OCC(C)C 260512 NDURNMRMSLIKQQ-HNNXBMFYSA-N 318.417 3.499 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1cc2ccc(O)cc2oc1=O 273889 RDTRVKLOGKJCJY-UHFFFAOYSA-N 315.712 3.404 0 40 DGAB Cc1cccc(N2CCN(C(=O)Nc3ccc(F)cc3)CC2)c1 386887 CSFSRFNUWYWNPC-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB Cc1cccc(C)c1N1CC(=O)N(c2c(C)cccc2C)CC1=O 503470 ZROCEAUEVPUJAN-UHFFFAOYSA-N 322.408 3.300 0 40 DGAB C[C@]12CNC[C@@](C)(CN(Cc3ccc(Br)cc3)C1)C2 1201098 XSJFDXVLIJEWRQ-HOTGVXAUSA-N 323.278 3.271 0 40 DGAB COc1ccc([C@@H](C)c2cc3c(cc2O[C@@H](C)O)OCO3)cc1 1612183 WBLLBEGTYCAWSR-NEPJUHHUSA-N 316.353 3.293 0 40 DGAB O=S(=O)(Nc1cccc(O)c1)c1ccc(Cl)c(Cl)c1 2659865 RPNYDQFXWFLXAT-UHFFFAOYSA-N 318.181 3.500 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1Cc1ccc(Cl)cc1 3458135 CLERZVDWEORJIN-UHFFFAOYSA-N 306.793 3.485 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4019095 OVDMYHCDGWWYAV-OAACRXHESA-N 305.761 3.110 0 40 DGAB COc1cccc2c1Oc1nc(-c3cccc(O)c3)nc(O)c1C2 4169835 OQHRBNREJHBJEJ-UHFFFAOYSA-N 322.320 3.260 0 40 DGAB CCc1ccc(C(=O)C[C@]2(O)C(=O)N(CC)c3ccccc32)cc1 4185564 UFWVLZKFHZLCSJ-HXUWFJFHSA-N 323.392 3.076 0 40 DGAB CCCN(CCC)C[C@@H](O)COc1ccc(C(=O)CC)cc1 4320417 XHFSRQFGNRKLAT-MRXNPFEDSA-N 307.434 3.141 0 40 DGAB CC(C)C(=O)Nc1cccc(C(=O)N2C[C@H](C)C[C@@H](C)C2)c1 4722512 LXDGMHVSPMKNBY-ZIAGYGMSSA-N 302.418 3.399 0 40 DGAB CC(C)OC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6328063 QMQXJYNDAJWCTR-UHFFFAOYSA-N 309.321 3.052 0 40 DGAB CCC[C@@H](C)NC(=O)CSc1nc2ccc(OCC)cc2[nH]1 6503691 HZJOVLYIXLRBAJ-LLVKDONJSA-N 321.446 3.359 0 40 DGAB CSc1ccccc1NC(=O)CN(C)C(=O)C1CCCCC1 6579030 GHPPDCXRIOELDD-UHFFFAOYSA-N 320.458 3.386 0 40 DGAB COc1cccc(NC(=O)c2cc(-c3cccc(OC)c3)[nH]n2)c1 6942776 BCIIYWXTOOGRNP-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cccnc2)N1Cc1ccco1 7112477 HILVPAUFBYSJII-QGZVFWFLSA-N 305.337 3.441 0 40 DGAB CCc1ccc(C(=O)Cn2ncc(Cl)c(Cl)c2=O)s1 7312208 BKIZQKJPTJPNFF-UHFFFAOYSA-N 317.197 3.057 0 40 DGAB O=C(NCc1ccc(-c2nc3ncccc3o2)cc1)C(F)(F)F 7387870 YETZFNYAFZWXKT-UHFFFAOYSA-N 321.258 3.068 0 40 DGAB Cc1cc(C(=O)CSc2nnc(NC3CC3)s2)c(C)n1C 7577546 LLGOAFMWIJEQEB-UHFFFAOYSA-N 322.459 3.043 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N(C)Cc1ccc(Cl)s1 8039199 FTTDVITYLAKAOW-UHFFFAOYSA-N 311.838 3.333 0 40 DGAB CCc1c(C(=O)Nc2cccc(C)c2)cnn1-c1ccccn1 8715211 HNJFCMAIQBUAMJ-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB O[C@]1(c2ccccc2)ON=C(c2ccccc2)C1(Cl)Cl 8775302 FTRQKNOKNVOAOI-OAHLLOKOSA-N 308.164 3.440 0 40 DGAB Cc1cccc(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1C 9232446 YFFPSAMNYQARKF-AWEZNQCLSA-N 310.397 3.162 0 40 DGAB Cc1ccc(NC(=O)Nc2nc(C(=O)NC(C)C)cs2)cc1 9317683 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O=C(N[C@@H]1CCN2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1 46992981 UWOJASUKCIJFRO-HZPDHXFCSA-N 318.848 3.115 0 40 DGAB O=S(=O)(Cc1cc(-c2ccccc2)on1)c1ccc(F)cc1 47619206 FHHBYSUJKNMSEU-UHFFFAOYSA-N 317.341 3.455 0 40 DGAB CC(C)n1nccc1NC(=O)CN[C@H](C)c1ccccc1Cl 48251135 JWXZRJVNLSXVFY-GFCCVEGCSA-N 320.824 3.407 0 40 DGAB Cc1ccc(NC(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1 53733639 TYHPUGPWXUSXQM-LLVKDONJSA-N 310.357 3.047 0 40 DGAB O=C(NOCc1ccccc1)c1cnc(-c2ccccc2)nc1 58417044 KDQKBJKLTHATOA-UHFFFAOYSA-N 305.337 3.005 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC(C)CC3)cc2)n1 61342216 SBXFYKCEFHKIIK-UHFFFAOYSA-N 311.429 3.420 0 40 DGAB C[C@H]1CCC[C@H](C)N1NC(=O)Nc1ccc2oc(=O)ccc2c1 65777109 JXZARZAIYDFYJY-RYUDHWBXSA-N 315.373 3.092 0 40 DGAB CCOc1ccc2[nH]cc(C(=O)c3ccc(F)cc3)c(=O)c2c1 67172453 PVQNVDMJSFDELI-UHFFFAOYSA-N 311.312 3.297 0 40 DGAB Cc1nc(-c2ccco2)ccc1C(=O)NC[C@H](O)c1ccccc1 69453346 IHZOSLCPBLCFOB-KRWDZBQOSA-N 322.364 3.113 0 40 DGAB Cc1cc(NC(=O)N(Cc2ccc(F)cc2F)C2CC2)n(C)n1 69568904 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O=C(c1cnn(Cc2ccccc2)c1)N1C[C@@H]2CCCC[C@H]2C1 75105464 VQHQWDLSHGBEBU-IRXDYDNUSA-N 309.413 3.194 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccnc3ccncc23)s1 75109684 AAZOXJBQRMQOPV-UHFFFAOYSA-N 319.411 3.055 0 40 DGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@@H]1CCCN1 77010699 QXBLHRKFHSBNGK-NSHDSACASA-N 310.319 3.081 0 40 DGAB Cc1noc(C)c1C(=O)N1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C 78879694 PAPAFNJUWDWHQR-ZUCKAHLUSA-N 314.385 3.282 0 40 DGAB COCc1ccccc1NC(=O)[C@H]1CCCN1Cc1ccccc1 79336445 XCUZBBSEKQEABA-LJQANCHMSA-N 324.424 3.436 0 40 DGAB Cc1cc(C)cc([C@@H]2CCCN2C(=O)C(=O)Nc2cccnc2)c1 79350649 KBKJBDDSCDBUID-KRWDZBQOSA-N 323.396 3.001 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(Cl)c(C[S@](C)=O)c2)cn1 79361003 RJIUGDKESMCUAH-OAQYLSRUSA-N 322.817 3.174 0 40 DGAB COc1ccc(C(=O)CNC(=O)C(C)(C)c2cccs2)cc1 84370400 AUQKJQUJLCEVHH-UHFFFAOYSA-N 317.410 3.033 0 40 DGAB O=C(N1C[C@@H]2CCC[C@H]2C1)C1(c2cccc(F)c2)CCOCC1 89774871 KZTIHTKDIFDZSV-GJZGRUSLSA-N 317.404 3.132 0 40 DGAB C[C@H](CC1CCOCC1)NCc1nnc(-c2ccccc2)s1 90401163 CCXZJIHRNLAVLH-CYBMUJFWSA-N 317.458 3.500 0 40 DGAB O=C(Nc1cccc(CCN2CCCC2)c1)c1ccncc1F 91788072 ZROYCBTXSYKXTH-UHFFFAOYSA-N 313.376 3.111 0 40 DGAB COc1ccccc1[C@@H](N[C@@H](C)c1cccnc1)c1nccn1C 92738118 FBOYDILGFIXYQW-KBXCAEBGSA-N 322.412 3.264 0 40 DGAB CCn1c(SCc2ncc(C)o2)nc2ccc(F)cc2c1=O 95441091 IQUKAWWCEIZKRZ-UHFFFAOYSA-N 319.361 3.144 0 40 DGAB C[C@H](c1ccccc1F)N1CCC(N(C)c2cccnn2)CC1 95948903 OLCVQVOTJKQMCV-CQSZACIVSA-N 314.408 3.278 0 40 DGAB CC[S@@](=O)[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1SC 95969073 PJYMOCNCQGEEPS-RTDGIWMLSA-N 303.537 3.330 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NC1CCSCC1 95999424 NQARYKUJBURLFH-UHFFFAOYSA-N 308.447 3.095 0 40 DGAB O=C(NCCCCCc1nc2ccccc2[nH]1)c1ccncc1 96118771 MNSDAKRRCRAMGJ-UHFFFAOYSA-N 308.385 3.101 0 40 DGAB C[C@]1(C(=O)NCc2ccc(F)cc2)CC(c2ccccc2)=NO1 96192576 XYBATUNHTJHTIZ-GOSISDBHSA-N 312.344 3.025 0 40 DGAB CC(C)(C)[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1cccc(F)c1 96455239 VJEYNMGIWHXMTE-BBRMVZONSA-N 322.424 3.327 0 40 DGAB C[C@@H](NC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1nc[nH]n1 97049220 RAJKCLHKEBMCMQ-DOMZBBRYSA-N 313.405 3.096 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)Nc1ccc([S@](C)=O)cc1 97162324 PLTXBLDUTMXIGI-JOCHJYFZSA-N 319.386 3.242 0 40 DGAB C[C@@H](NC(=O)c1cncc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 102175875 ANBMLQFBBQTKTP-YAMSLAJTSA-N 323.234 3.399 0 40 DGAB CCOc1ccc(NC(=O)N(C)[C@H]2CCN(CC)[C@H](C)C2)cc1 107069740 FGXIJVCWNPGSEJ-ZBFHGGJFSA-N 319.449 3.422 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CC 223141418 IIEPXQJGGNGVIC-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB Fc1cccc(NC(=S)NCCCN2CCCCCC2)c1 225399641 BVEJRECATILFPB-UHFFFAOYSA-N 309.454 3.378 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccncc2)cc1 225643797 PQQXRZTXWKFKCK-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB O=C(c1ccoc1)N1CC[C@H](c2noc(-c3cccs3)n2)C1 253401362 MSXIRVSYMRAMHV-JTQLQIEISA-N 315.354 3.021 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2ccccc2)CC1 408706607 AKQCLGAHIDUELJ-UHFFFAOYSA-N 316.445 3.024 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)CCn2ccc3ccccc32)[nH]1 521448178 CCIPTLRSOAJVMF-UHFFFAOYSA-N 310.401 3.114 0 40 DGAB Cc1ccccc1NC(=O)NCc1cncc(-c2cnn(C)c2)c1 575414644 LZVBHMGEZCTARZ-UHFFFAOYSA-N 321.384 3.112 0 40 DGAB CCCCCOCC(=O)N[C@@H](Cc1ccccc1)c1ncco1 585091160 OIGMFIIZOVVTJC-INIZCTEOSA-N 316.401 3.281 0 40 DGAB CO[C@H]1CCN(C2CCCCC2)CC[C@@H]1CC(=O)N1CCCC1 1615155728 PUPRJWXGPHNVQJ-AEFFLSMTSA-N 322.493 3.059 0 40 DGAB Cc1nccnc1N1CCC(COc2ccncc2Cl)CC1 1889091904 LOBXYCDWDWNGKL-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB CSc1ccc(C(=O)N2CC(Oc3ccnc(C)c3)C2)cc1 1889149561 UNNCJVJEZATYJT-UHFFFAOYSA-N 314.410 3.015 0 40 DGAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(Cc4cn(C)cn4)C[C@@H]32)nc1 2037976960 VBKSIBGHUIJLKO-MBOZVWFJSA-N 324.472 3.214 0 40 DGAB C[C@H]1c2cc(CN3C(=O)c4ccccc4C3=O)ccc2N[C@@H]1C 2298092139 FVDKDYKMIDIVEI-VXGBXAGGSA-N 306.365 3.400 0 40 DGAB COc1cccc2cc(C(=O)N[C@@H](C)c3ccccc3)c(=O)oc12 105774 CCYSVTGNISFBAD-LBPRGKRZSA-N 323.348 3.293 0 40 DGAB CC(C)[C@H](Nc1ncnc2sc3c(c12)CCCC3)C(=O)O 237022 LIMVIAAFVRRCLD-LBPRGKRZSA-N 305.403 3.091 0 40 DGAB CCC1=NN(C(=O)Cc2ccccc2)[C@](O)(c2ccccc2)C1 328042 QLWBWLDWUMNDKR-LJQANCHMSA-N 308.381 3.073 0 40 DGAB Cc1nc(NC(=O)C2CC2)sc1C(=O)Nc1ccccc1 412834 CKJSARLXLUFZSU-UHFFFAOYSA-N 301.371 3.052 0 40 DGAB COCc1nc2ccccc2n1CCOc1ccccc1OC 811125 MZDPRTQDVFTACE-UHFFFAOYSA-N 312.369 3.270 0 40 DGAB O=C(CSC1CCCCC1)N1CCN(c2ccccc2)CC1 3309129 AMPJSHBXVZRPEM-UHFFFAOYSA-N 318.486 3.401 0 40 DGAB CC(=O)c1cccc(OCC(=O)NCc2ccccc2Cl)c1 3331196 ZTOSJBNVVJSGSW-UHFFFAOYSA-N 317.772 3.238 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)[C@H]1C[C@@H]1C 3339103 SSPSTUUJDAJLID-AAEUAGOBSA-N 319.401 3.130 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3sccc23)C1 3604364 IQBALWJUBPIFMM-GHMZBOCLSA-N 321.471 3.288 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1c(C)cccc1C 3619278 HUKLSKSTEMHDFG-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 4142971 WSMJGIMQTHFEQJ-HXUWFJFHSA-N 323.392 3.397 0 40 DGAB Cc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCCCC2)cc1 4476873 OGYRWWIGOBAZSV-MRXNPFEDSA-N 313.449 3.312 0 40 DGAB O[C@H](c1ccccc1)[C@H](O)[C@@H](c1ccccc1)N1CCCCC1 4742957 NVPXWDVMTNNNKE-VAMGGRTRSA-N 311.425 3.308 0 40 DGAB Cc1cc(C)c(C)c(S[C@H](C(=O)NC(N)=O)C(C)C)c1C 5039740 UMUWXUHFGOSYCN-ZDUSSCGKSA-N 308.447 3.232 0 40 DGAB O=C(NC(=S)N1CCCc2ccccc21)c1ccccc1F 5375786 HOHLEZVQEGNOES-UHFFFAOYSA-N 314.385 3.293 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1ccc(C(=O)O)cc1 6092723 QIOBRXCJIOTMBM-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cn1ccs/c1=N\C(=O)C(c1ccccc1)c1ccccc1 6335056 NFBNZQFDRMBHDX-HNENSFHCSA-N 308.406 3.346 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCC(=O)N2CCCCCC2)cc1 6906386 IULLMSVIPFNWLG-UHFFFAOYSA-N 316.445 3.117 0 40 DGAB Cc1ccc(OCCn2cnc3ccc(Cl)cc3c2=O)cc1 7440772 HXVVKJIHQXPPCK-UHFFFAOYSA-N 314.772 3.437 0 40 DGAB Cc1cc(C)n2nc(SC[C@@H]3CC3(Cl)Cl)nc2n1 8938074 IUGHVTRHXBAGPF-QMMMGPOBSA-N 303.218 3.027 0 40 DGAB Cc1ccc(C(=O)NCCc2ccc3c(c2)OCCO3)c(C)c1 9479396 DXBDNBSVJYECJS-UHFFFAOYSA-N 311.381 3.047 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)C(=O)N(C)CCO3)cc1C 9828074 RUEMYHVLZHOITL-UHFFFAOYSA-N 324.380 3.020 0 40 DGAB C[C@H](NC(=O)[C@H](C)N1CCc2sccc2C1)c1ccccc1 10094402 YXRHGFBUECMXDZ-KBPBESRZSA-N 314.454 3.372 0 40 DGAB O=c1cc(CSc2ncccc2Cl)nc2sccn12 11033647 HGNZDDNZOOWLNP-UHFFFAOYSA-N 309.803 3.097 0 40 DGAB CC(=O)Nc1ccc(CNCCCn2cnc3ccccc32)cc1 12533964 GYQVCUQXQXRHQQ-UHFFFAOYSA-N 322.412 3.175 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)N[C@@H](C)c1ccco1 12796203 GCXFEDYWJNMCGX-STQMWFEESA-N 302.374 3.356 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1 12860621 HYSIHJCHNYHXIR-HUUCEWRRSA-N 300.402 3.223 0 40 DGAB Cc1ccc(CS(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 13676035 SMQYFJNRXDFPHJ-AWEZNQCLSA-N 301.411 3.276 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)c1cnc(Cl)c(Cl)c1 14903794 VWMVGDHTBGRJLP-LDADJPATSA-N 310.184 3.188 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1cccs1)c1ccccc1F 18236694 MTUAFAKCRJULTL-AWEZNQCLSA-N 315.373 3.140 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)C[C@H]2C=CCC2)cc1 20008854 CMAMYEDRIFISMS-AWEZNQCLSA-N 300.402 3.463 0 40 DGAB CN(C)Cn1cc(CCC(=O)N2CCCCC2)c2ccccc21 20625196 CIQUJBORRQWLQG-UHFFFAOYSA-N 313.445 3.106 0 40 DGAB CCOc1cc(/C=C/C(=O)NCc2ccco2)ccc1OC 23042594 NXOIFCVZLBOJAU-VQHVLOKHSA-N 301.342 3.017 0 40 DGAB Cc1ccc(Sc2nc(NCCO)c3ccccc3n2)cc1 24990839 IIINTSYUIRSFTL-UHFFFAOYSA-N 311.410 3.494 0 40 DGAB Cc1ccc(-c2cc(C(=O)NOCc3ccccc3)[nH]n2)cc1 25285788 HTORGTLAZGBUIA-UHFFFAOYSA-N 307.353 3.247 0 40 DGAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)[C@@H]1CCCO1 27904031 NNUZMNWWDQQGQS-HZMBPMFUSA-N 318.348 3.086 0 40 DGAB Cc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)n1 29009666 AKKPPTFYWDTGQX-UHFFFAOYSA-N 320.396 3.286 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1C 32585591 IZTOFPRZKLQLAS-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CCOc1ccc(C(=O)NC[C@H](C(C)C)N(CC)CC)cc1 32913239 XZLFFLBQZMDBOM-QGZVFWFLSA-N 306.450 3.182 0 40 DGAB O=C(COc1ccccc1F)N1CCSc2ccccc21 32942930 AUTJPCQMXHRHNR-UHFFFAOYSA-N 303.358 3.343 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)NCc2ccccc2F)n1 33153591 OQIALZFBXTZPSG-UHFFFAOYSA-N 319.380 3.145 0 40 DGAB Cn1c(=O)c(/C=C/C(=O)Nc2ccccc2)cc2ccccc21 36625759 UKUBBWYVFUFADK-VAWYXSNFSA-N 304.349 3.190 0 40 DGAB c1csc(CN(Cc2nc(C3CC3)no2)C[C@H]2CCCO2)c1 40493783 OXOMYKADWDRBKG-CYBMUJFWSA-N 319.430 3.190 0 40 DGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(F)c1 40494095 BEMZWAVXCDVAMB-ZDUSSCGKSA-N 321.417 3.422 0 40 DGAB C[C@H](NC(=O)COc1ccc(C(F)(F)F)cc1)c1ccncc1 40549776 VCZGUSCIAOBRAC-NSHDSACASA-N 324.302 3.357 0 40 DGAB CCn1ccc2cc(NC(=O)[C@H](C)OC[C@@H]3CCCO3)ccc21 51385721 HMCAIAZGYXSEPJ-BBRMVZONSA-N 316.401 3.184 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)Cc1ccc(F)cc1 55693272 AHAKKKPJVIQHBU-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB O=C(N[C@@H]1CCc2cc(F)ccc21)c1cc2ccccc2c(=O)[nH]1 56314792 MRPCZHNMSOVEQW-MRXNPFEDSA-N 322.339 3.085 0 40 DGAB O=C(Cn1ccc2ccc(Cl)cc21)NCCc1cccnc1 58226796 OLOXRZJTVYLSFS-UHFFFAOYSA-N 313.788 3.049 0 40 DGAB CN(C(=O)c1cccc(N2CCNC2=O)c1)C1CCCCCC1 58247522 VBECGFFIWBJQTA-UHFFFAOYSA-N 315.417 3.011 0 40 DGAB CC(=O)N1CCC(c2ncc(-c3ccc(F)c(F)c3)[nH]2)CC1 58264731 HNKGDMVWXPFSNG-UHFFFAOYSA-N 305.328 3.081 0 40 DGAB Cc1cnn(CC2CC2)c1NC(=O)C1=Cc2ccccc2OC1 58343542 RZDUCBYRKJZOND-UHFFFAOYSA-N 309.369 3.016 0 40 DGAB CCCN(CCc1ccccn1)C(=O)c1ccc2[nH]cnc2c1 58367605 YLXHPLYXZGTOPV-UHFFFAOYSA-N 308.385 3.053 0 40 DGAB C[C@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccnc(F)c1 65554516 RBTYDJXFZTTXEN-NSHDSACASA-N 309.344 3.462 0 40 DGAB CCc1nc(CCNC(=O)c2cccc(COC)c2)sc1C 69491156 VOAMGOJRNJFYRV-UHFFFAOYSA-N 318.442 3.133 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOCC1(C)C 69666000 XMUQSIWAJSZERZ-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB Cc1nc(N)[nH]c(=O)c1Cc1cccc(Oc2ccccc2)c1 71789059 MMFAMPMRHYPPGM-UHFFFAOYSA-N 307.353 3.044 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1ccc(-c2cnco2)cc1 71803841 WSWCOTBXQCHWNS-HZPDHXFCSA-N 323.352 3.489 0 40 DGAB CC(C)(C)c1ncc(C(=O)N2CCO[C@H]3CCCC[C@@H]32)s1 71825492 RJXMMZCQONYCIZ-RYUDHWBXSA-N 308.447 3.224 0 40 DGAB O=C(Nc1cccc(COCC(F)(F)C(F)F)c1)N1CCC1 71920210 WYSRPSIFQQLYCI-UHFFFAOYSA-N 320.286 3.341 0 40 DGAB O=C(CN1CCC(c2ccccc2F)CC1)N1CCCCC1 72342075 QSJKVMFNMYUOLZ-UHFFFAOYSA-N 304.409 3.018 0 40 DGAB c1ccc(CN2CCC(c3cccc(-n4ccnc4)n3)CC2)nc1 72379059 ITLAWZCEPFGECG-UHFFFAOYSA-N 319.412 3.042 0 40 DGAB CN1CCC(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1 74921027 YBNQMZMKZMJZRX-UHFFFAOYSA-N 300.324 3.376 0 40 DGAB CC(C)OCc1cccc(NC(=O)NC[C@H]2CCCC[C@@H]2O)c1 77693262 YZRCDIGIAYQIGR-WBVHZDCISA-N 320.433 3.284 0 40 DGAB CN1CCC(NC(=O)/C=C/c2ccc(C(C)(C)C)cc2)CC1 78618170 JSNMUMPTCKCAGY-JXMROGBWSA-N 300.446 3.208 0 40 DGAB CCOc1cc(-c2nc(-c3ccccc3OC)n[nH]2)ccc1O 85384643 JKWYXZUKARBLCM-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB O=C(Cc1ccc(O)cc1Cl)N1CCC[C@@H]1c1ccncc1 89769904 UKLFUGCXEAPVJE-MRXNPFEDSA-N 316.788 3.347 0 40 DGAB CC(C)(C)c1nc(COc2cccc3c2NC(=O)CO3)cs1 91600929 XPTDXYLPVAAPIE-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc(Cl)cn1 93469247 OOQQMKFXNFEJAQ-JSGCOSHPSA-N 306.793 3.099 0 40 DGAB CCn1c(Sc2ncc(Cl)cn2)nnc1-c1ccco1 95406773 RAWGDNZKQUHSIQ-UHFFFAOYSA-N 307.766 3.153 0 40 DGAB C[C@H](N[C@H]1CCC(=O)N(C)C1)c1cccc(Cl)c1Cl 95422824 NVMCDAQICBYVJN-UWVGGRQHSA-N 301.217 3.265 0 40 DGAB CCn1cc(CNc2ccc(NC(=O)OC(C)(C)C)nc2)cn1 95430870 PJKAIJZSWQPKTE-UHFFFAOYSA-N 317.393 3.257 0 40 DGAB Cn1cc(CNc2nc3ccccc3o2)c(-c2cccnc2)n1 95990338 BBXGVMVWQOMMLA-UHFFFAOYSA-N 305.341 3.235 0 40 DGAB COCCCCn1ccnc1-c1cncc(Br)c1 96009639 HFCYDVSNHUUVFT-UHFFFAOYSA-N 310.195 3.134 0 40 DGAB CCOC[C@@H]1CC2(CCN(C(=O)CC3=CCCCC3)CC2)CO1 96105914 KUFFLUBQTRSSTL-KRWDZBQOSA-N 321.461 3.311 0 40 DGAB COC[C@@H]1COCCC12CCN(Cc1ccc(C)cc1)CC2 96106259 CYIJCWDIFMDDID-GOSISDBHSA-N 303.446 3.260 0 40 DGAB O=C(Nc1ncc(Cl)cc1Cl)c1ccc2c(c1)OCO2 96319084 LYKPBXCQNNRJSM-UHFFFAOYSA-N 311.124 3.369 0 40 DGAB Cc1ccc(C(=O)NC2CCN(c3cccc(F)c3)CC2)o1 96413886 RDMVTHPRVPXKMU-UHFFFAOYSA-N 302.349 3.126 0 40 DGAB Cc1cc(NC(=O)N(C)Cc2cnccn2)ccc1OC(C)C 96435278 LRSWSGDEIYDBHU-UHFFFAOYSA-N 314.389 3.236 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@H]1CCC[C@@H]1O 96435321 MCFYNBZXAPVFTI-PBHICJAKSA-N 320.433 3.203 0 40 DGAB Cc1nc2c(s1)[C@@H](N[C@H]1CCN(CC(F)(F)F)C1)CCC2 96476817 UCKITJSSOUWCIV-JQWIXIFHSA-N 319.396 3.055 0 40 DGAB O=C(Nc1cccnn1)N1C[C@@H]2CCCC[C@@]21c1ccccc1 96489171 RPEWWRJMDNAHIH-MAUKXSAKSA-N 308.385 3.410 0 40 DGAB CN(C[C@@H](O)C(F)(F)F)C(=O)Nc1cccc(C(F)F)c1 96491421 VPBWDSRCEQBFAC-SECBINFHSA-N 312.238 3.011 0 40 DGAB Cc1cc(S(=O)(=O)NCCCc2ccccc2)ccc1F 96658995 PJEWUNPYEGNSNS-UHFFFAOYSA-N 307.390 3.045 0 40 DGAB CCCn1c(C)nnc1CSc1nc2ncc(Cl)cc2[nH]1 97022768 XZQDPYARUVYTBD-UHFFFAOYSA-N 322.825 3.214 0 40 DGAB CC(=O)NC1CCC(N[C@H]2CCCC[C@@H]2OC2CCCC2)CC1 97102538 QUEHNMUSUUTRNC-VHZYLWGESA-N 322.493 3.294 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 97231344 RDJYOJKWORSUMG-MCIONIFRSA-N 315.394 3.102 0 40 DGAB Cc1cccc(C2=CCN(Cc3ccc(C(=O)N(C)C)[nH]3)CC2)c1 97236348 LLVIPLIMCLSEPZ-UHFFFAOYSA-N 323.440 3.314 0 40 DGAB COc1ccccc1N[C@@H]1CC(=O)N(c2c(C)cccc2C)C1=O 101275522 AVIVYGPXATYGAQ-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB COc1cc(C)c(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102351087 VZWLKLBSQYRGSV-YRGRVCCFSA-N 320.458 3.487 0 40 DGAB Cc1cc(C(=O)NCCc2cccc(C(=O)O)c2)sc1C 111403570 XPABBSWOEKNMDH-UHFFFAOYSA-N 303.383 3.036 0 40 DGAB Cc1ccc(OCC(=O)NCCSCc2ccco2)cc1 222758643 AUJPWVUPOFNNAX-UHFFFAOYSA-N 305.399 3.016 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910463 WWODNSFTKNJPBB-CQSZACIVSA-N 322.424 3.115 0 40 DGAB O=C(Cc1ccc(Cl)cc1F)NCCOc1ccccc1 225103295 MXZRBLKEQXSTHD-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB CC(C)Oc1ccc(NC(=S)NCCCN2CCCC2)cc1 225434558 XOXYJLLXSTYOSS-UHFFFAOYSA-N 321.490 3.246 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)Cc2ccccc2F)cc1 225448657 VJMVWHITGKJZON-AWEZNQCLSA-N 301.361 3.260 0 40 DGAB O=C(c1ccc(Cl)s1)N1[C@H]2CC[C@H]1c1cncnc1C2 225670143 DCBCHKKGDYSOGO-KWQFWETISA-N 305.790 3.094 0 40 DGAB O=C(NCCc1ccccc1)c1ccc2oc(Cl)nc2c1 225977267 VZQDEJTXBMMVHT-UHFFFAOYSA-N 300.745 3.454 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccccc3Br)=NN[C@H]2C1 228926654 CAAMJDRIIAZLLW-AAEUAGOBSA-N 321.218 3.130 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@H](c2nccs2)C1 257210531 BVBIGNUDIGLLJV-AWEZNQCLSA-N 316.426 3.318 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1CCc1ccncc1 257230269 GBNIZMDIPKAILR-INIZCTEOSA-N 324.380 3.048 0 40 DGAB COC(=O)N1N=C2CC[C@H](C(C)(C)C)C[C@@H]2[C@]1(O)C(F)(F)F 409106414 LYTQNJILMVMVKP-RVBZMBCESA-N 322.327 3.138 0 40 DGAB Cc1c[nH]cc1C(=O)NC[C@@H](CN(C)C)c1ccc(Cl)cc1 564830153 DBKSRLGMWJAQIH-AWEZNQCLSA-N 319.836 3.052 0 40 DGAB Oc1nc(CN[C@@H]2CCc3ccccc3OC2)cc2ccccc12 585080193 DUECXEUMGQHACF-MRXNPFEDSA-N 320.392 3.424 0 40 DGAB Cc1c[nH]cc1C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 585087183 DVBAAZAKZVZTKZ-UHFFFAOYSA-N 308.385 3.246 0 40 DGAB Clc1cnc(OC2CCN(Cc3ccccc3)CC2)nc1 1226663561 IOBLJOGIZFJVRQ-UHFFFAOYSA-N 303.793 3.173 0 40 DGAB COc1ccc2[nH]cc(C(=O)N3CCCC[C@H]3c3cc[nH]n3)c2c1 1848352350 UJEWIZLQHPONSV-KRWDZBQOSA-N 324.384 3.267 0 40 DGAB c1csc(OC2CCN(Cc3cc(C4CC4)on3)CC2)n1 2086881848 MEXOBERBPLKSIB-UHFFFAOYSA-N 305.403 3.052 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)C(=S)N1CCCCC1 124430 VNXKAOOQGQLODY-UHFFFAOYSA-N 300.786 3.231 0 40 DGAB COc1ccc(C(=O)Nc2nc3c(s2)CCCC3)c(OC)c1 133725 VGESHKTXZDQPCH-UHFFFAOYSA-N 318.398 3.291 0 40 DGAB COc1ccc(-n2ncc3c(NCc4ccco4)ncnc32)cc1 552654 DKXVBJMMWUXFQZ-UHFFFAOYSA-N 321.340 3.029 0 40 DGAB CCc1cccc2c(C=O)cn(CC(=O)N3CCC(C)CC3)c12 807274 UHHHYQNZGBJFEL-UHFFFAOYSA-N 312.413 3.275 0 40 DGAB CSc1nc(N2CCCC2)c2cnn(-c3ccccc3)c2n1 1402563 ZKAYHIFMFKNTEK-UHFFFAOYSA-N 311.414 3.138 0 40 DGAB CCCOC(=O)c1ccc2c(c1)C(=O)N(C1CCCCC1)C2=O 2062953 YSUKUXBPLGLIEY-UHFFFAOYSA-N 315.369 3.182 0 40 DGAB Cn1c2ccccc2c2ncn(Cc3ccc(F)cc3)c(=O)c21 2237401 UJXJWMPWPSQLAU-UHFFFAOYSA-N 307.328 3.076 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1)N(C)C3=O 2423158 KBOJLFODVJSBKX-MRXNPFEDSA-N 305.333 3.276 0 40 DGAB Cc1ccc(/C=C/C(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 3356531 LTNLDRZBGMOVII-ZHACJKMWSA-N 300.446 3.434 0 40 DGAB CCCCCOC(=O)c1ccc(NC(=O)CNCCCC)cc1 4792392 PKONURKSTYPEOW-UHFFFAOYSA-N 320.433 3.362 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)COC(=O)/C=C/c1cccs1 5505762 FEVLIGPHPYEDSP-RYYBZQDPSA-N 307.415 3.094 0 40 DGAB [O-][n+]1cc(/C=C/c2ccccc2)[n+]([O-])cc1/C=C/c1ccccc1 5518472 LAQQVFSUYZHARX-PHEQNACWSA-N 316.360 3.294 0 40 DGAB Nn1c(SCc2cccc3ccccc23)nnc1C(F)(F)F 5993352 UDBZBXONTNLCRO-UHFFFAOYSA-N 324.331 3.456 0 40 DGAB COC(=O)c1c(NC(=S)NC2CC2)sc2c1CC[C@H](C)C2 6202333 QMNZSZWMPVKVMT-QMMMGPOBSA-N 324.471 3.108 0 40 DGAB CCC[C@H](CC(=O)OCCc1scnc1C)n1ccnc1 6650641 BNAFUFGWNLOEEY-CYBMUJFWSA-N 307.419 3.165 0 40 DGAB CC(=O)NCCc1ccc(-c2csc(NC3CC3)n2)cc1 7274871 MCKLRFIWZQGFTC-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB Cc1ccc2c(CSc3nnc(N)s3)cc(=O)oc2c1C 7535622 JUXDNGXFTUMKCT-UHFFFAOYSA-N 319.411 3.136 0 40 DGAB Cc1oc2ccc(O)cc2c1C(=O)Nc1ccc(C(=O)O)cc1 7952259 APQPUGWDRAEMFQ-UHFFFAOYSA-N 311.293 3.397 0 40 DGAB C[C@@H](O)CNCc1cccc(OCc2ccc(Cl)cc2)c1 8535095 WSBRWFWCLXFYIV-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB CCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C 8714660 YFIUJQNDYPJMIR-UHFFFAOYSA-N 311.447 3.349 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)CCc2cccs2)cc1 8921691 VTTJRHMHPJDOPH-UHFFFAOYSA-N 302.399 3.021 0 40 DGAB Cc1nc(N2CCCC2)nc2c1C(=O)C[C@H](c1ccccc1O)C2 10157015 WSELTMQZZQHZMW-CYBMUJFWSA-N 323.396 3.004 0 40 DGAB Cc1ccc(NCC(=O)Nc2cc(C)on2)c(Br)c1 11623021 TUOBCQZWWVFVLN-UHFFFAOYSA-N 324.178 3.105 0 40 DGAB Cc1cc([C@@H]2CCCCCN2C(=O)c2nn(C)cc2Cl)on1 12133879 ZRWUCODGLWLSMH-LBPRGKRZSA-N 322.796 3.127 0 40 DGAB C[C@@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)C1 12240023 HKKDDDIRIHCENU-CYBMUJFWSA-N 321.384 3.430 0 40 DGAB O=C1O[C@@H](S[C@H](Cc2ccccc2)C(=O)O)c2ccccc21 12274225 MJYYBSOPSYZNSJ-PBHICJAKSA-N 314.362 3.285 0 40 DGAB CCc1nnc(NC(=O)c2nc(Cl)ccc2Cl)s1 12902758 NZDGNNNQKYWXQD-UHFFFAOYSA-N 303.174 3.055 0 40 DGAB CC(C)NC(=O)CN1CCc2sccc2[C@H]1c1cccs1 14123594 GXAZCJDIYQGVQG-INIZCTEOSA-N 320.483 3.282 0 40 DGAB COc1ccc(CNCc2cnn(-c3ccccc3)c2)cc1OC 15184014 WOFQJZUNWAJGRU-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB Cc1nc(CNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cs1 15832230 DHZQKYXRVYCGQU-LBPRGKRZSA-N 304.415 3.152 0 40 DGAB CCC(=O)N1CC[C@@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(OC)cc1 15954163 QQRYQGYWFJBEFE-NEWSRXKRSA-N 317.429 3.300 0 40 DGAB biogenic COc1cccc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c1 16965026 FMNHZDRULQJGTB-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB C[C@H](N1CCN(C)CC1)[C@](O)(c1ccccc1)C1CCCCC1 19365817 WEMKXTZKYQLYKL-PXNSSMCTSA-N 316.489 3.090 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2cccs2)N1 20411115 KYUMJWNDZQTKTB-BBRMVZONSA-N 312.394 3.006 0 40 DGAB biogenic CC(C)OC(=O)C[C@@H](NC(=O)C1CC1)c1ccccc1Cl 21709211 QNCYJXWNHBPYTJ-CQSZACIVSA-N 309.793 3.249 0 40 DGAB COc1ccc([C@H]2CCCN2c2cc(Cl)nc(N)n2)cc1 24056519 VZVFALQASKWIAM-GFCCVEGCSA-N 304.781 3.062 0 40 DGAB O=C(Nc1ccc(Br)cc1Cl)C1CCOCC1 24644153 KUIKUYVQFFTTJQ-UHFFFAOYSA-N 318.598 3.468 0 40 DGAB COCc1ccccc1CNC(=O)NCCc1ccccc1F 26146189 AXZOZMZKKSUQSV-UHFFFAOYSA-N 316.376 3.014 0 40 DGAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@H](O)C1 26241614 MRNGXRYDUDBIDH-NSHDSACASA-N 305.761 3.197 0 40 DGAB O=C(CN1CCCc2cc(F)c(F)cc21)Nc1ccccc1F 26342597 OWYZGPALGDBJHA-UHFFFAOYSA-N 320.314 3.495 0 40 DGAB Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)Nc2nonc2C)c1 27664132 NNZVWBVDCQQYHJ-LBPRGKRZSA-N 303.362 3.216 0 40 DGAB CN(C)C[C@@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 28317069 METLGLASTQLSIU-HXUWFJFHSA-N 320.440 3.265 0 40 DGAB Cc1cc(C)nc(N2CCC(c3nc4ccccc4[nH]3)CC2)n1 29527991 FUCUTVJKYINWBM-UHFFFAOYSA-N 307.401 3.354 0 40 DGAB CCN(CC)S(=O)(=O)NCC1(c2ccccc2)CCCCC1 32825883 JNHGBWWXRXBBEF-UHFFFAOYSA-N 324.490 3.065 0 40 DGAB O=C(NCCOc1ccccc1)NCCc1ccc(Cl)cc1 32862492 GVUHCTNACLMHMZ-UHFFFAOYSA-N 318.804 3.261 0 40 DGAB Cc1ccc(NC(=O)c2cnc3c(cnn3C(C)C)c2)c(O)c1 32865795 URPRGLMSPHVNFV-UHFFFAOYSA-N 310.357 3.279 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)c2cc(Br)cn2C)[C@@H]1C 35180398 BMANYVHZBIPTKF-FOGDFJRCSA-N 313.239 3.342 0 40 DGAB CCC[C@](C)(NC(=O)c1cccc(Cl)c1Cl)C(=O)OC 35220974 FUPAOJFTFNDHGZ-AWEZNQCLSA-N 318.200 3.455 0 40 DGAB CS(=O)(=O)c1cccc(OCC(=O)c2ccc(Cl)cc2)c1 36325643 WWAZEYVLIOAACJ-UHFFFAOYSA-N 324.785 3.005 0 40 DGAB C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccncc1 37301139 VCQYKEINVLRNKU-NSHDSACASA-N 304.777 3.357 0 40 DGAB O=C(CSc1ccc(O)cc1)N1CCc2sccc2C1 37995831 OWXBFEGRUIQXAL-UHFFFAOYSA-N 305.424 3.131 0 40 DGAB Cc1noc(C)c1CN1CCC([C@H](O)c2ccccc2)CC1 42634752 DTMBQJDCYHVTLC-GOSISDBHSA-N 300.402 3.237 0 40 DGAB FC(F)(F)c1cc2[nH]cc(I)c2cn1 44700064 JQRGNYWBIZSWQB-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB Fc1ccc(-c2noc(CN3CCO[C@H]4CCCC[C@@H]43)n2)cc1 51994550 GISQFXAJPSOGSL-GJZGRUSLSA-N 317.364 3.019 0 40 DGAB CCc1c(C)sc2nc(Cc3cn4ccccc4n3)[nH]c(=O)c12 55493208 NLWOCUHCFSDMBR-UHFFFAOYSA-N 324.409 3.094 0 40 DGAB CCN(CC)C(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 58927455 HKVJGJZRXBZOTK-UHFFFAOYSA-N 322.836 3.061 0 40 DGAB Cc1ccc(CN[C@@H]2CCCc3nc(N(C)C)ncc32)s1 64031537 BJPYOBPXKUMATP-CQSZACIVSA-N 302.447 3.080 0 40 DGAB COc1ccc(N2Cc3ccccc3OCC2=O)cc1Cl 65184297 FNSQHUORCMOGGB-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB CC[C@@H]1CCCCN1C(=O)c1cccn(Cc2ccccc2)c1=O 65499121 QIXOTTFTZPELFC-QGZVFWFLSA-N 324.424 3.301 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccc(F)c1)N1CCC[C@@H]1CN1CCCC1 67614085 JDRVZCANCBCXBZ-FGTMMUONSA-N 316.420 3.016 0 40 DGAB COc1c(C)cc(CN(C)C(=O)CC[C@H]2CCCO2)cc1C 69452962 UFULNCQCHBKCPG-MRXNPFEDSA-N 305.418 3.230 0 40 DGAB O=C(CCc1ccc2ccccc2c1)NC[C@@H]1CCN(C2CC2)C1 69588029 MBVSRABGJKEGDN-KRWDZBQOSA-N 322.452 3.373 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)cn1 71796810 NKMRYQFYNOOELS-ZWKOTPCHSA-N 309.413 3.204 0 40 DGAB C[C@H](CC[C@@H]1CCCO1)NC(=O)NCc1cc(F)ccc1F 71856677 FDIRWFHVGHKBSD-RISCZKNCSA-N 312.360 3.112 0 40 DGAB CC(=O)Nc1cccc(COC(=O)CO[C@@H]2CCC[C@@H](C)C2)c1 71903236 RCICUXDWBCMFMG-CXAGYDPISA-N 319.401 3.284 0 40 DGAB O=C(Nc1ccc(Oc2ccc(Cl)cn2)cc1)[C@@H]1CCCN1 72501573 QMHRRCZRLVASLY-AWEZNQCLSA-N 317.776 3.218 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CCC(=O)Nc2nnc3ccccn23)o1 73921575 UJIKRGLVALAEDF-AAEUAGOBSA-N 310.357 3.017 0 40 DGAB O=C(OC1CN(c2nc3c(Cl)cccc3s2)C1)C1CCC1 75172330 HMFJFQIENFNFAJ-UHFFFAOYSA-N 322.817 3.482 0 40 DGAB Cc1[nH]nc(NC(=O)C2CCOCC2)c1-c1cccc(Cl)c1 76784745 ZMALXMGCISAYJV-UHFFFAOYSA-N 319.792 3.404 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)Nc3cccc(Cl)c3)ccc2N1 78403898 CTYGEIKOZCZTME-JTQLQIEISA-N 322.817 3.497 0 40 DGAB CS[C@@H](C)C(=O)Oc1ccc(NC(=O)c2ccco2)cc1 78411059 QQNOZRWYSCRRKW-JTQLQIEISA-N 305.355 3.189 0 40 DGAB C[S@](=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1 78782530 FWQIAGMRTGLKOH-HXUWFJFHSA-N 311.765 3.469 0 40 DGAB Cc1ccoc1CNc1cccc(CN2CCC(CO)CC2)c1 86258115 AQVIQJJYTOTRHU-UHFFFAOYSA-N 314.429 3.404 0 40 DGAB CCc1sc(C(=O)NCCc2cnc(C3CC3)nc2)cc1C 89280299 GIFNEODRRVIJPO-UHFFFAOYSA-N 315.442 3.259 0 40 DGAB Clc1cc(CNCCCO[C@H]2CCOC2)c2ncccc2c1 89807815 GGANZAUAFHPUHK-INIZCTEOSA-N 320.820 3.173 0 40 DGAB CC[C@@H](CC(=O)OCC(=O)Nc1ccccc1Cl)SC 89942963 LPXGZPAQMBUXDO-JTQLQIEISA-N 315.822 3.353 0 40 DGAB Cc1cccn2cc(CNc3ccc(C(F)(F)F)nn3)nc12 91628263 MPODTDRIMPHCBW-UHFFFAOYSA-N 307.279 3.064 0 40 DGAB COc1ccc(Cl)cc1CCNC(=O)[C@H]1CCC(=O)C[C@H]1C 95449647 AASSRAZVNCQJBW-ABAIWWIYSA-N 323.820 3.013 0 40 DGAB CC(C)n1ccc2c(C(=O)NCC3CCOCC3)cccc21 95474685 FPXKMZSGBNVCHJ-UHFFFAOYSA-N 300.402 3.379 0 40 DGAB CC(=O)c1c(C(C)=O)c(C)n(Cc2nc3ccccc3[nH]2)c1C 95482121 MPWFXJAIIYRMMX-UHFFFAOYSA-N 309.369 3.435 0 40 DGAB Cc1cccc(CN[C@H](C)C2(N3CCOCC3)CCCC2)c1 95941423 OLYRZGSTIQQTOX-QGZVFWFLSA-N 302.462 3.118 0 40 DGAB O=c1ccc2c([nH]1)CCC[C@H]2NCc1ccc(Cl)c(F)c1 95956253 PMBZRZVGYSKNFS-CQSZACIVSA-N 306.768 3.335 0 40 DGAB Cc1cccc(CN(Cc2ccccc2)C(=O)[C@@H]2CCO[C@@H]2C)n1 95983309 AQRIWMFEQCEZSH-VQIMIIECSA-N 324.424 3.344 0 40 DGAB C[C@@H](CN[C@@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O 95984204 XKPCZXJYSWHSJH-UWVGGRQHSA-N 324.273 3.325 0 40 DGAB c1csc(CN2CC[C@@H]3O[C@@H](COCC4CC4)CC[C@@H]32)c1 96186687 UQOWGYIJVJDZDZ-PVAVHDDUSA-N 307.459 3.297 0 40 DGAB COc1cccc([C@H](CNC(=O)c2cccc(Cl)c2)OC)c1 96389805 XZRNHYLGHWLQGL-INIZCTEOSA-N 319.788 3.466 0 40 DGAB Cc1ccnc(-c2ccc(N[C@@H](C(N)=O)c3ccccc3)cc2)n1 96406728 UMHQKSRBKDPIHL-QGZVFWFLSA-N 318.380 3.091 0 40 DGAB COC[C@@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 96426568 GXFPDMYVQMDCNF-GFCCVEGCSA-N 319.426 3.327 0 40 DGAB Cc1nc2cc(N[C@H](C)c3nnnn3-c3ccccc3)ccc2o1 96436827 SZZDENPIMSIFMP-LLVKDONJSA-N 320.356 3.285 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2cncc(C)c2)cc1 97038323 UREWSIVQUPZAOU-CYBMUJFWSA-N 319.430 3.325 0 40 DGAB O=C(OCc1cncc2ccccc12)c1ccn2cncc2c1 97230490 XCWDSUDQVIWZFD-UHFFFAOYSA-N 303.321 3.240 0 40 DGAB Oc1nc2ccccc2nc1/C=C/NC(=S)Nc1ccccc1 104303782 VTYDIUZIZPFMBN-ZHACJKMWSA-N 322.393 3.293 0 40 DGAB CC(C)n1c2ccccc2c2c1cc(C(=O)O)n2C(=O)N(C)C 104793264 CUIZEDSRAOKBGV-UHFFFAOYSA-N 313.357 3.405 0 40 DGAB CCCc1cc(=O)[nH]c(/C(=C\c2cn(C(C)(C)C)nn2)CC)n1 193618242 OGFPTLCMUFVAAZ-XFXZXTDPSA-N 315.421 3.020 0 40 DGAB CC[C@H](CNC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1 195575719 MNCGVMQODBGKRX-MFOWVQHXSA-N 324.852 3.246 0 40 DGAB c1ccc(Oc2cccc3c(N4CCNCC4)ccnc23)cc1 225321870 TZUKTXMXMNPREN-UHFFFAOYSA-N 305.381 3.437 0 40 DGAB COC(=O)c1ccc(OCc2cccc(-c3noc(C)n3)c2)cc1 225327812 HDDLQPWSEBUJNZ-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB C[C@H](CS[C@@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1 225702891 VDCYTIKORITDIG-BXKDBHETSA-N 303.349 3.431 0 40 DGAB CC1CCN(c2ccc(N(C)C(=O)C(F)(F)F)cc2)CC1 226275642 CYEXQUOJKHYIAP-UHFFFAOYSA-N 300.324 3.448 0 40 DGAB CCOCC[C@H]1CCOC12CN(Cc1cccc3[nH]ccc13)C2 253382187 HFHCJNAIIPSFNM-INIZCTEOSA-N 314.429 3.185 0 40 DGAB Cc1csc(C(=O)N(C)[C@@H]2CCCN(c3ccccn3)C2)c1 257207398 BHOLOPYHWXGFIR-CQSZACIVSA-N 315.442 3.193 0 40 DGAB Cc1nc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)cs1 257305315 SPKBGIJJTSWRRP-ZDUSSCGKSA-N 313.430 3.102 0 40 DGAB C[C@@H]1CCC2=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)[C@@H]2C1 409061741 HCOAZUAYCICIML-JRKPZEMJSA-N 322.327 3.280 0 40 DGAB Cc1ncc(CNC(=O)NCc2ccccc2CC(C)C)o1 528011035 NXLFWOGLPODYRW-UHFFFAOYSA-N 301.390 3.181 0 40 DGAB COCC1(C)CCN(C(=O)Nc2cnn([C@H](C)C3CC3)c2)CC1 547997258 ZCQAIWAVCMRKNL-CYBMUJFWSA-N 320.437 3.135 0 40 DGAB O=C(O)C[C@@H]1CCCN1Cc1cc(-c2ccc(Cl)cc2)no1 571570266 BGOLUFADENZOJE-ZDUSSCGKSA-N 320.776 3.434 0 40 DGAB COCCOc1cccc(C(=O)N2CCC(=C(F)F)CC2)c1 585130508 SDSVAIMMTYIJIY-UHFFFAOYSA-N 311.328 3.098 0 40 DGAB Cc1ccc2c(c1)N(C(=O)Cc1cn3cccc(C)c3n1)CC2 586756688 IJSBCPPYSFHXGG-UHFFFAOYSA-N 305.381 3.083 0 40 DGAB Cc1cc(OCC2CCN(c3ccnc(C4CC4)n3)CC2)ccn1 1775995122 CPJZADZJHZEOAZ-UHFFFAOYSA-N 324.428 3.353 0 40 DGAB Clc1ccc2nc(N3CCC4(CC3)OCCO4)ccc2c1 1888941758 VJEVAAHZAHZLJS-UHFFFAOYSA-N 304.777 3.232 0 40 DGAB CCc1nn2c(NN)cc(C)nc2c1-c1ccc(Cl)cc1 2033970186 XJOHVBARMMMGAC-UHFFFAOYSA-N 301.781 3.206 0 40 DGAB O=c1c(=O)n(-c2cccc(Cl)c2)ccn1CC1CCCCC1 2298103473 KTPKICYJTRMYPC-UHFFFAOYSA-N 318.804 3.233 0 40 DGAB CCOC(=O)CCc1c(C)c2ccc(OC(C)C)cc2oc1=O 489157 GHCRWPLMWTVFOJ-UHFFFAOYSA-N 318.369 3.384 0 40 DGAB biogenic CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)Nc1ccccc1F 533202 OIIMTKPCIMDMKZ-CYBMUJFWSA-N 308.353 3.164 0 40 DGAB CC[C@H](OC(=O)c1cccs1)C(=O)NCc1ccc(C)cc1 1328590 XBZGEUSURWRTCQ-AWEZNQCLSA-N 317.410 3.308 0 40 DGAB CC(C)c1nc(SCC(=O)N2CCCC2)c2ccccc2n1 1342866 XGIPRSUYSPWCFE-UHFFFAOYSA-N 315.442 3.468 0 40 DGAB O[C@@H]1C2CCN(CC2)[C@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 1688575 YDKJBGPGEVAPRN-SLFFLAALSA-N 311.400 3.413 0 40 DGAB CCCSc1nc(NN)c2c3c(sc2n1)COC(C)(C)C3 2369290 QYRGXYAAHZNYND-UHFFFAOYSA-N 324.475 3.330 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CCN)(c2ccccc2)CC1 2541481 ZIBLRKMQYZGFDC-UHFFFAOYSA-N 304.434 3.304 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)cc2C)cc1 3347778 QCQOKZSRFYICAG-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1)Nc1cc(F)ccc1F 3390558 CLRFVUULGXEEPL-RMKNXTFCSA-N 317.291 3.160 0 40 DGAB CCCCOc1ccc(C(=O)Nc2sccc2C(N)=O)cc1 4281492 XVDDSZAFWACRKY-UHFFFAOYSA-N 318.398 3.278 0 40 DGAB CCCCN(C)C(=O)C1CCN(Cc2ccc(OC)cc2)CC1 4690658 XKRVLDOOZITUBH-UHFFFAOYSA-N 318.461 3.166 0 40 DGAB CCc1ccccc1NC(=O)[C@@H]1CC(c2cccc(OC)c2)=NO1 5029305 ASPHEOFEYCVRJB-SFHVURJKSA-N 324.380 3.389 0 40 DGAB CSc1nc(C)c(CCC(=O)Nc2ccccc2)c(C)n1 5403374 JMNXIFWUKIJQOS-UHFFFAOYSA-N 301.415 3.387 0 40 DGAB COc1cc(NC(=O)c2ccco2)ccc1N1CCCCC1=O 5441534 YHJOFNDGAUNDRQ-UHFFFAOYSA-N 314.341 3.057 0 40 DGAB COc1cccc(C(=O)Nc2nonc2-c2ccc(F)cc2)c1 5488661 CHIPCLUVSZGZFV-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB C[C@@H](OC(=O)c1ccccc1Nc1ccccc1)C(=O)NC1CC1 5710478 KDNZDASHTXNCJR-CYBMUJFWSA-N 324.380 3.254 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1F 6354714 XFLSKKSXULSAAI-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB Cc1ccc(F)c(NC(=O)COC(=O)c2ccc(F)cc2)c1 6501667 VMMPFBPPJJQSII-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB C[C@@H](Sc1ncnc2ccccc12)C(=O)NCc1ccccc1 6786844 JYHCGJOBUFMALD-CYBMUJFWSA-N 323.421 3.427 0 40 DGAB S=C(NC[C@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 7559359 PCWFIGSGOOCNPI-LLVKDONJSA-N 305.230 3.459 0 40 DGAB Cc1nnc(SCC(=O)Nc2cccc(Cl)c2Cl)o1 7610211 LWTYESWJWUTWNI-UHFFFAOYSA-N 318.185 3.416 0 40 DGAB O=C(CNc1ccccc1N1CCCCC1)NC1CCCC1 8025096 SRSPDPSNZQDWIR-UHFFFAOYSA-N 301.434 3.148 0 40 DGAB CC(C)(C)c1csc(NC(=O)c2cn3ccccc3n2)n1 9156522 XQGHHQGMLTYHIA-UHFFFAOYSA-N 300.387 3.341 0 40 DGAB C[C@H](Nc1ccc(-c2ccccc2)cc1)C(=O)N1CCOCC1 9157602 XVVUCOWRNUTUIO-HNNXBMFYSA-N 310.397 3.013 0 40 DGAB COc1ccc(C(=O)NCCSc2ccc(C)cc2)c(O)c1 9888894 BDIICBIMEIDFRH-UHFFFAOYSA-N 317.410 3.231 0 40 DGAB CCCC[C@H](Sc1nncs1)C(=O)Nc1cc(C)on1 11676249 LPTUEVBUTPOLNT-VIFPVBQESA-N 312.420 3.124 0 40 DGAB Cc1ccc(-c2c(C)nn3c(NCCCO)cc(C)nc23)cc1 12113308 WHRREEAUDMRBOI-UHFFFAOYSA-N 310.401 3.116 0 40 DGAB CCOc1ccc(Nc2ccc(-n3nc(C)cc3C)nn2)cc1 12736817 OCDZNDIQXQKCKP-UHFFFAOYSA-N 309.373 3.421 0 40 DGAB COc1ccc2[nH]c(=O)c(CNc3ccc4[nH]ncc4c3)cc2c1 13086654 GPZSTROQPZYWFG-UHFFFAOYSA-N 320.352 3.025 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3nccnc3c2)cc1C 15838426 BAPBWWXNKIUPIF-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB O=C(OCc1nc2ccccc2o1)c1cc(=O)[nH]c2ccccc12 16049979 VHCFIKMVAIQOIQ-UHFFFAOYSA-N 320.304 3.026 0 40 DGAB O=C1CCc2cc(C(=O)NCC3(c4ccccc4)CC3)ccc2N1 21524953 LLHVXROKIXZCHL-UHFFFAOYSA-N 320.392 3.033 0 40 DGAB Cc1nc2cc(NC(=O)CCc3c(C)nn(C)c3C)ccc2o1 23080911 DOURMJGHKPEYFN-UHFFFAOYSA-N 312.373 3.058 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCCN(C)c1ccccc1 23428203 QFKBCNAWJCJVOF-INIZCTEOSA-N 312.413 3.097 0 40 DGAB CN(Cc1ccsc1)C(=O)c1cccc(NC(=O)C2CC2)c1 23957631 XULUKYGTAHRHSG-UHFFFAOYSA-N 314.410 3.369 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)CCCc1nc(C(C)(C)C)no1 25300924 CVJQATPTKGADGQ-GFCCVEGCSA-N 319.405 3.030 0 40 DGAB C[C@H](NC(=O)NCc1ccc(OC(F)F)cc1)c1ccncc1 26187712 OONHHINNVHFJKX-NSHDSACASA-N 321.327 3.243 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCOc3ccc(Cl)cc32)cc1 28580404 CJZDVNRHEMLXSC-UHFFFAOYSA-N 323.801 3.236 0 40 DGAB COc1ccc(NC(=O)c2n[nH]c3ccc(C)cc23)c(OC)c1 32814928 BHNAYGHFSPYENH-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCc2ccccc2C1 36139555 NARMLBUOKKPCFP-UHFFFAOYSA-N 306.409 3.485 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@@H](c1ccco1)N1CCCCC1 39984934 MHIMPZZGYMWWHV-HOTGVXAUSA-N 302.418 3.279 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)cc1C 40095475 CJHLGLOULXLYMA-MRXNPFEDSA-N 320.339 3.437 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NCc1ccccn1 40119858 NSVNNVWIIYBHEF-OAHLLOKOSA-N 313.401 3.496 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccc(F)cc3)n2)[C@H](C)CO1 40500942 JJULAXGYALKZDR-MNOVXSKESA-N 320.389 3.199 0 40 DGAB CCc1cccc(C)c1NC(=O)NC1CCN(C2CC2)CC1 40525492 XTFFNHGHARTQOS-UHFFFAOYSA-N 301.434 3.306 0 40 DGAB CCN(Cc1cc(=O)n2cccc(C)c2n1)c1cccc(C)c1 41108708 MIYREVGBVZYHJN-UHFFFAOYSA-N 307.397 3.338 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccc(OC(C)C)cc1 42646727 SMMHSTKRBCTEFM-UHFFFAOYSA-N 306.406 3.109 0 40 DGAB Fc1ccc(-c2cn3nc(NC[C@H]4CCOC4)sc3n2)cc1 52007366 CVVLXLIAVWFKFK-SNVBAGLBSA-N 318.377 3.045 0 40 DGAB CCOc1ccccc1CNC(=O)COc1ccc(C)cc1C 53162500 FLSHDHJCRMJGFB-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB COc1ccc(-n2ccc(C(=O)NC3CCCCCC3)n2)cc1 55092517 TXAXJPPGWIQOBZ-UHFFFAOYSA-N 313.401 3.334 0 40 DGAB Cc1cccc(C)c1-n1nnnc1SCc1nc(C)c(C)o1 58209770 JHRODAKQDIEIGV-UHFFFAOYSA-N 315.402 3.176 0 40 DGAB O=C(NCc1cc[nH]n1)C1(c2ccc(Cl)cc2)CCCC1 58224111 GNJBFOXXNSXXPX-UHFFFAOYSA-N 303.793 3.191 0 40 DGAB CC(C)N(C)CC(=O)N1CCC[C@@H]1c1nc2ccccc2s1 63465687 YGENYCGJRDBUKN-CQSZACIVSA-N 317.458 3.300 0 40 DGAB Cc1ccc(C)c2sc(NC(=O)c3ccc4nncn4c3)nc12 69492959 AYKSXNHZTKMCGY-UHFFFAOYSA-N 323.381 3.208 0 40 DGAB CCC[C@H](C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69664462 UEYXFOMVKNOPKA-LSDHHAIUSA-N 304.434 3.074 0 40 DGAB CCCCCC(=O)N[C@@H](c1noc(C)n1)c1ccccc1OC 70983480 IVYWQPNCROWFAL-MRXNPFEDSA-N 317.389 3.173 0 40 DGAB O=C(C[C@@H]1CCCO1)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 71186508 TWDPFZJNAHCHQI-JKOKRWQUSA-N 313.319 3.247 0 40 DGAB O[C@@]1([C@]2(O)C[C@H]3CC[C@H]4CC[C@H]2[C@H]43)C[C@@H]2CC[C@H]3CC[C@H]1[C@H]32 71785674 RWAAWFINOVJONO-NYYDWNQFSA-N 302.458 3.361 0 40 DGAB COc1ccccc1N1CC[C@@H](CNCc2cccc(O)c2)C1 71851726 LYGVQUXDSFYFKL-INIZCTEOSA-N 312.413 3.017 0 40 DGAB C[C@H](C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1)n1cncn1 71903453 AJFJLSRHFFNSMA-WBMJQRKESA-N 316.380 3.026 0 40 DGAB CC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 72302988 RHOCNDIEQINWAZ-KRWDZBQOSA-N 317.772 3.337 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 75143215 GVHLKOWQSAITOY-KDOFPFPSSA-N 315.461 3.059 0 40 DGAB CCc1nc(CN2C[C@H](c3ccc(OC)cc3)C[C@@H]2C)no1 76393811 OAHQNRCJGAQHCL-GXTWGEPZSA-N 301.390 3.019 0 40 DGAB CCOC(=O)[C@@H](C)N(C)C(=O)c1cc2c(s1)CCCCCC2 79095033 FYJLJZMQNUOGIA-GFCCVEGCSA-N 323.458 3.431 0 40 DGAB Cc1nn(C)c(Oc2cccc(F)c2)c1NCc1cnn(C)c1 84013707 GSRWWPSRCIIASG-UHFFFAOYSA-N 315.352 3.006 0 40 DGAB Cc1nc([C@@H]2CCCN2c2ncnc3sc(C)c(C)c23)no1 84065520 FIBNTZOSUROUQQ-NSHDSACASA-N 315.402 3.341 0 40 DGAB O=C(c1ccc(Oc2ccccc2)cc1)N1[C@H]2CC[C@@H]1COC2 85471116 NUOMDSVNHKCFJG-IYBDPMFKSA-N 309.365 3.482 0 40 DGAB CSCc1cc(NC(=O)N(C)CC[C@H](C)O)ccc1Cl 85600619 QUTOVOQNQOMSFS-JTQLQIEISA-N 316.854 3.438 0 40 DGAB Cc1nc(NC(=O)N2CCC[C@H]2c2c(C)n[nH]c2C)sc1C 89522686 LFQQOYYGJQFIAO-LBPRGKRZSA-N 319.434 3.469 0 40 DGAB O[C@@H](CN(Cc1ccccc1)Cc1cccnc1)c1ccco1 89832631 ATJKEZSVKGLXRP-SFHVURJKSA-N 308.381 3.410 0 40 DGAB CC[C@H](NC(=O)[C@H](C)OC1CCCCCC1)c1noc(C)n1 89947996 UGVDLXHEQXSHAT-FZMZJTMJSA-N 309.410 3.073 0 40 DGAB FC(F)(F)Sc1ccc(I)cn1 91252793 PBQRUQXLLDMFCD-UHFFFAOYSA-N 305.062 3.298 0 40 DGAB OCC1CCN(Cc2ccccc2NC2CCSCC2)CC1 92141376 PRWLJEQZBJKIBB-UHFFFAOYSA-N 320.502 3.198 0 40 DGAB c1cc(O[C@@H]2CCN(Cc3cnc4ccsc4c3)C2)ccn1 93866089 OSYGNRRMCQXXEV-OAHLLOKOSA-N 311.410 3.345 0 40 DGAB CCCc1n[nH]c(S[C@@H](C)c2cn(-c3ccccc3)nn2)n1 95414687 HVDPSJLDNKFKPD-NSHDSACASA-N 314.418 3.191 0 40 DGAB CN(C)c1ccc(NCc2ccc(Oc3cnccn3)cc2)cn1 95430844 VZEUOBANYWCYRK-UHFFFAOYSA-N 321.384 3.342 0 40 DGAB O=C(c1occc1-c1ccccc1)N1CCC(n2ccnn2)CC1 95435071 VQZQRQMVRUTWGB-UHFFFAOYSA-N 322.368 3.015 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)CC[S@@](C)=O)cc2)cc1 95448736 PALFFZPHUJTBGD-QFIPXVFZSA-N 317.410 3.494 0 40 DGAB COC(=O)N1CCc2ccc(NC(=O)c3ccccc3C)cc2C1 96096239 SDOZSRSFFUMZAG-UHFFFAOYSA-N 324.380 3.372 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccc(C)cn2)C[C@@H]1Cc1ccccc1 96111157 RVOZIJFBUOLHKI-PKOBYXMFSA-N 324.424 3.110 0 40 DGAB O=C1C[C@H](c2cccc(F)c2)c2c(ccc3nsnc23)O1 96231897 XIEBFMJTKLZOHA-SNVBAGLBSA-N 300.314 3.271 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2ccc(OC)cc2)C1=O 96248386 FNKIFSAVJKZYJM-QGZVFWFLSA-N 324.380 3.002 0 40 DGAB COC(=O)C[C@@H](C)S[C@H](C)c1nc(-c2ccccc2)no1 96406317 MHZSWLJKYHQGAY-GHMZBOCLSA-N 306.387 3.482 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)[C@H]1C[C@H]1c1c(F)cccc1F 96407833 RJBGZUYTLZNZGR-KGLIPLIRSA-N 317.335 3.433 0 40 DGAB CC[C@@H](COC)NC(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 96415933 ZHNBWYKJKFFDRY-KBPBESRZSA-N 305.422 3.079 0 40 DGAB C[C@@H]1COCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500300 JRWHJEZOKRDLPH-MRVPVSSYSA-N 320.723 3.194 0 40 DGAB CCCC(=O)N1CCC(OC(=O)c2cccc(C)c2F)CC1 97015278 NCKZIFMEILSNAW-UHFFFAOYSA-N 307.365 3.082 0 40 DGAB CO[C@H](C)CCC(=O)Nc1cc(C)cc(Br)c1O 97083332 LPFSWIIZSCVRHP-SECBINFHSA-N 316.195 3.217 0 40 DGAB O=C(NCc1ccco1)[C@@H]1CCCN1c1ccnc2ccccc12 97104423 KIXKTGNEZJUANE-SFHVURJKSA-N 321.380 3.113 0 40 DGAB CN(C)[C@@H]1CC[C@H](NCc2cn(C)nc2C2CCCCC2)C1 97106912 FNVGDSFFIAXCEL-DLBZAZTESA-N 304.482 3.040 0 40 DGAB CC(C)n1cc2cc(NC(=O)N3CCO[C@@H](C)[C@@H]3C)ccc2n1 97233969 XSJVRNLGVBLGQC-STQMWFEESA-N 316.405 3.258 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCCCN1CCc2ccccc21 105952419 IRLXGBFRTYCMHB-RYQLBKOJSA-N 312.457 3.382 0 40 DGAB Cc1noc(C)c1CCNCc1ccc2c(c1)CC(C)(C)O2 107320587 GVFWULMXECQVCA-UHFFFAOYSA-N 300.402 3.337 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1C[C@H](CO)C2=O 118924044 KQHKUOHLCRQQSG-SLRWNRFXSA-N 320.473 3.178 0 40 DGAB Cc1ccc(C(=O)O)c(OCC(=O)Nc2ccccc2Cl)c1 217724064 ITTMTWCLAIHSBW-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(Nc1ccn2nccc2c1)c1cccc(Br)c1 217953634 DROOMSSLEWTPNF-UHFFFAOYSA-N 316.158 3.349 0 40 DGAB CCOc1ccc(C(=O)NC)cc1COc1ccc(OC)cc1 224594977 GEEXGTOYVQXDSG-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=S)NC2CCCC2)c1 225277791 KNIDGNZJMDHNAE-UHFFFAOYSA-N 312.822 3.356 0 40 DGAB C[C@@H]1Cc2ccc(N)cc2N1S(=O)(=O)c1ccc(Cl)cc1 225328305 PSBGXPZLSYHPHL-SNVBAGLBSA-N 322.817 3.062 0 40 DGAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)NC1CCC1 225437201 FNDWPGSBRGBDEA-VIFPVBQESA-N 320.776 3.331 0 40 DGAB biogenic,in-vitro COc1ccc([C@@H](C)NC(=S)Nc2ncccc2C)cc1 225466937 CJCWYJBRVAKHHJ-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB CCO[C@](C)(CC)C(=O)Nc1ccc(OC)c2ncccc12 225893416 YSVMKBBLNWAWGO-QGZVFWFLSA-N 302.374 3.387 0 40 DGAB CCOc1ccccc1CN1CCCC[C@H]1c1ccnc(N)n1 257207536 BIFBJMZXUPAHAM-INIZCTEOSA-N 312.417 3.185 0 40 DGAB CC(C)n1nccc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257221683 DQCKBVKRGZPLCB-HNNXBMFYSA-N 324.432 3.115 0 40 DGAB COc1ccccc1C(=O)N1CCC(C)(c2nccs2)CC1 257286868 PNJNLGGDDSBZIH-UHFFFAOYSA-N 316.426 3.346 0 40 DGAB COc1ccccc1C(=O)[C@@H](Br)CBr 382690392 HZEQXZZUCKEGDZ-QMMMGPOBSA-N 321.996 3.036 0 40 DGAB O=C1N/C(=C/C=C\c2ccccc2)C(=O)N1Cc1ccccc1 409198655 CQSVUSGZTRHXCE-KSTYKBLMSA-N 304.349 3.336 0 40 DGAB COc1cc(C)nc(N2CCC(COc3ccccc3)CC2)n1 510629942 NBFFHYKHLNTYGB-UHFFFAOYSA-N 313.401 3.089 0 40 DGAB CSCC[C@@H](C(=O)Nc1cc(Cl)ccn1)n1cccc1 575443455 WWRREHNRBJAFPX-LBPRGKRZSA-N 309.822 3.469 0 40 DGAB CCn1c(S[C@@H]2CCC[C@H](OC)C2)nnc1-c1cccnc1 585119125 SGCKGIOOLUZECN-UONOGXRCSA-N 318.446 3.410 0 40 DGAB CSc1nc2ccccc2c(C)c1NC(=O)NCCCCO 585119759 SJWARBLQQUCGPW-UHFFFAOYSA-N 319.430 3.159 0 40 DGAB CCCc1cc(C(=O)NCc2ccc([C@H]3C[C@H]3C)o2)cc(O)n1 1548491995 XKUUIUPUKQYUDA-ABAIWWIYSA-N 314.385 3.386 0 40 DGAB O=C(CC1CCCC1)N1CCC[C@H](COc2ccncc2)C1 1776001249 HTGKYDJRZUPABI-INIZCTEOSA-N 302.418 3.279 0 40 DGAB Cc1cc(C(=O)NCCc2ccc(-c3ccco3)s2)no1 2086896499 CWLKTAOUISJZDZ-UHFFFAOYSA-N 302.355 3.277 0 40 DGAB CO[C@@H](NC(=O)/C=C/c1ccccc1)C(Cl)(Cl)Cl 78568 JZBFFAVWRQDSDK-WSKFYRRCSA-N 308.592 3.159 0 40 DGAB CCc1ccc(OCC(=O)Nc2cccc3nsnc23)cc1 104098 YMHVZBZFVFVDQW-UHFFFAOYSA-N 313.382 3.271 0 40 DGAB COc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1 536197 PYQMOGLFVVWSCO-UHFFFAOYSA-N 323.400 3.205 0 40 DGAB CCn1cc(C(=O)Nc2cccc(Br)c2)c(C)n1 1002311 NWJLXXQMHQCAJG-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 1481026 MGDFFTXAHMZDRB-OAHLLOKOSA-N 308.381 3.241 0 40 DGAB O=C1NCC2(CCN(Cc3ccccc3)CC2)N1c1ccccc1 1564513 RCOWRGOWMVZQHM-UHFFFAOYSA-N 321.424 3.251 0 40 DGAB O=c1oc2ccccc2cc1S(=O)(=O)c1ccc(Cl)cc1 1611906 JJSFBOWNSBUTMB-UHFFFAOYSA-N 320.753 3.279 0 40 DGAB CCOC(=O)[C@H](CC)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1781198 GKTZDMAVEZDRGZ-HNNXBMFYSA-N 316.353 3.002 0 40 DGAB Cc1noc(C)c1NC(=O)c1cc(Br)cs1 2731195 UDXPIAIELQEYOC-UHFFFAOYSA-N 301.165 3.368 0 40 DGAB O=C(N1C[C@@]23C=C[C@@H](C[C@@H]2CC12CCCCC2)O3)C(F)(F)F 3238072 BVTSSCUBMWQVDQ-XUJVJEKNSA-N 315.335 3.198 0 40 DGAB O=C(O)CCCCc1ccc(I)cc1 4216583 AVVFIQYGBUOFDN-UHFFFAOYSA-N 304.127 3.089 0 40 DGAB in-man Cn1nnc2cc(NC(=O)NC(C)(C)CC(C)(C)C)ccc21 4695367 BJGSISCXWXHINJ-UHFFFAOYSA-N 303.410 3.305 0 40 DGAB O[C@@H]1C2CCN(CC2)[C@@H]1[C@H](c1ccccc1)c1ccc(F)cc1 5063910 YDKJBGPGEVAPRN-VAMGGRTRSA-N 311.400 3.413 0 40 DGAB COc1ccc(OCC(=O)Nc2ccccc2SC)cc1 5443598 LCARUBMKJLXUCQ-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB CCOc1ccc(Oc2coc3cc(O)cc(O)c3c2=O)cc1 5906622 PEJZACWFQCJMDK-UHFFFAOYSA-N 314.293 3.395 0 40 DGAB biogenic O=c1oc2ccccc2cc1C1=NO[C@@H](c2cccc(O)c2)C1 6237800 XXIBTVCRRAZJAU-QGZVFWFLSA-N 307.305 3.364 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cc(F)ccc1F)S[C@H](C)C(=O)N2 6678432 TVKAVLHLAFALOA-KRTXAFLBSA-N 309.341 3.160 0 40 DGAB CCc1cc2c(CN3CCC[C@@H](C)C3)cc(=O)oc2cc1O 6851613 QFJGNHOSBKFTFZ-GFCCVEGCSA-N 301.386 3.293 0 40 DGAB C[C@H](O)c1ccc(-c2ccc(CNC[C@@H]3CCCO3)o2)cc1 7540895 URMYNGAXHBPSJY-BBRMVZONSA-N 301.386 3.269 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1F 8349725 FNRHQKJBPORTPX-ZDUSSCGKSA-N 324.359 3.240 0 40 DGAB C[C@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1 8497937 VSTUUGBYVXJIAQ-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB Cc1nc2nc(NCc3cccc(Cl)c3)nn2c(O)c1Cl 9109832 FCSBFFSXTRVHEZ-UHFFFAOYSA-N 324.171 3.057 0 40 DGAB CC(C)c1ccc(C(=O)NC(=S)NNc2ccccc2)cc1 9140669 GIZIYUYENKJKRR-UHFFFAOYSA-N 313.426 3.441 0 40 DGAB O=C(/C(=C\c1ccccc1)n1ccccc1=O)N1CCCCCC1 9434792 ZOYZYMQKWZUEKF-FBMGVBCBSA-N 322.408 3.249 0 40 DGAB Cc1cc(C)c2sc(NC(=O)COc3ccccc3)nc2n1 11666332 OKCNQVYTHWABCM-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB COc1ccc(C)cc1CC(=O)N[C@H](C)c1nc2ccccc2[nH]1 12539226 IZZLWFNLULYIAU-CYBMUJFWSA-N 323.396 3.300 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@H](C(=O)Nc2ccccc2)C1 12602723 NXSFYUPCWBIVFY-INIZCTEOSA-N 322.408 3.486 0 40 DGAB CCOc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1 13104681 LQNFEUFXEAQSHZ-UHFFFAOYSA-N 324.262 3.334 0 40 DGAB COc1ccccc1CNC(=S)Nc1ccc(C(C)=O)cc1 13577412 BLEBVGHGGKWLOX-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB COc1cccc(C(=O)NCCSCc2ccccc2F)c1 13675404 CISZYLOVTKAFMJ-UHFFFAOYSA-N 319.401 3.498 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2c(=O)oc3ccccc32)cc1C 14104612 ARAKUDMLNGERIV-ZDUSSCGKSA-N 310.353 3.411 0 40 DGAB CC(=O)Nc1ccc(CC(=O)NCCC2=CCCCC2)cc1 14248223 NTDCCUUTFYPXST-UHFFFAOYSA-N 300.402 3.194 0 40 DGAB O=C1C[C@@H](c2ccc(O)cc2)c2c(Nc3ccccc3)n[nH]c2N1 15085112 OSWWAHOHWFMOIU-AWEZNQCLSA-N 320.352 3.333 0 40 DGAB CCCC(=O)Nc1ccccc1-c1nnc(SCC)nc1O 18208209 PZCINJHXGXIOMO-UHFFFAOYSA-N 318.402 3.095 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N2CCC[C@H](C)C2)cc1OC 20035530 ZKVFMPZHMDEMJK-QWHCGFSZSA-N 323.458 3.443 0 40 DGAB CCOc1cccc(CNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 20038082 RRBXHXKCKGIVEE-ZDUSSCGKSA-N 317.360 3.308 0 40 DGAB Cc1ccc(OCC(=O)Nc2noc(-c3ccccc3C)n2)cc1 21806605 LEZFGFROXSGTJS-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB O=C(NCc1ccccc1Cl)[C@H]1CC(c2ccccc2)=NO1 22327403 MTAUKAVYVKGCAS-MRXNPFEDSA-N 314.772 3.149 0 40 DGAB C[C@@H]1CCC[C@@H](C)C12NC(=O)N(C/C=C/c1ccccc1)C2=O 24379894 AUPXEQZBHGDDRD-UZKRYLTISA-N 312.413 3.447 0 40 DGAB CCc1cccc(NC(=O)COC(=O)c2ccnc(Cl)c2)c1 25859431 DLNQYWUSVGGOAG-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)c1cc(C2CC2)[nH]n1 29343559 DTFJGBPREWERTB-AWEZNQCLSA-N 301.415 3.498 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccc(F)cc2)c1 30132849 WUXXRZZEXRHNDO-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB O=C(Nc1cccc(NC(=O)c2ccoc2)c1)c1cccnc1 32453544 OSIXEXIZCLFPNK-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB Cc1nc(C(=O)N(C)[C@H](C)CC(C)C)nn1-c1ccc(F)cc1 32788242 NPKAMTJKLMGPIW-GFCCVEGCSA-N 318.396 3.221 0 40 DGAB Cc1cc(C)c(NC(=O)CSc2nccn2C)c(Cl)c1 32859627 DQOJRWGDKDFFGN-UHFFFAOYSA-N 309.822 3.421 0 40 DGAB CCOc1ccccc1CNC(=O)/C=C/c1ccccc1OC 38771292 ADZCQBKXRKVKPV-OUKQBFOZSA-N 311.381 3.424 0 40 DGAB C[C@H](NC(=O)N(C)CCc1ccccn1)c1ccc(F)cc1 40511835 XAGXWTDQULQSRP-ZDUSSCGKSA-N 301.365 3.166 0 40 DGAB COc1ccc(-c2nc(CC(=O)N3CCCCC3)c(C)o2)cc1 41448723 QCEFHHNRNIVRCE-UHFFFAOYSA-N 314.385 3.214 0 40 DGAB FC(F)(F)c1ccnc(SCc2nnsc2Cl)n1 41896357 NOBFXCASYKQDIJ-UHFFFAOYSA-N 312.729 3.293 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)Nc1nc(-c2ccco2)cs1 44943653 OOIOTOKARNEIMG-SSDOTTSWSA-N 320.292 3.309 0 40 DGAB CC[C@@H](NC(=O)NCc1nc(C)cs1)c1ccccc1OC 44952960 NQIDZKWGWPGAAU-CYBMUJFWSA-N 319.430 3.411 0 40 DGAB O=C(NCC1CC1)c1nc(-c2cccs2)n(-c2ccccc2)n1 45900674 LPZQRSOCITUOQC-UHFFFAOYSA-N 324.409 3.136 0 40 DGAB Cc1cc(C(=O)Cn2c(CO)nc3ccccc32)c(C)s1 48303056 ODOZNWCZXHNQRV-UHFFFAOYSA-N 300.383 3.090 0 40 DGAB O=C(NCc1ccc(N2CCCCCC2)nc1)c1ccccc1 48324547 VEOSIVVQFDTESO-UHFFFAOYSA-N 309.413 3.392 0 40 DGAB O=C(NCc1ccccc1)C(=O)Nc1cc(Cl)cc(Cl)c1 48583818 RBCPIWXINIYMAM-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)NCc1cccnc1 54508459 HEFGFQJHXDOJKI-UHFFFAOYSA-N 305.765 3.455 0 40 DGAB Clc1cnc(N2CCN(Cc3cccnc3)CC2)c(Cl)c1 54866758 OMYRQSMAGKDLIR-UHFFFAOYSA-N 323.227 3.106 0 40 DGAB c1ccc(-c2noc(CN3CCOc4ccccc4C3)n2)cc1 55109350 QTTJQHTYIUYJAW-UHFFFAOYSA-N 307.353 3.131 0 40 DGAB O=C(NCCCN1CCCCCC1)c1ccc(Cl)cc1F 55173938 WJMBFRIKOXEDPL-UHFFFAOYSA-N 312.816 3.475 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@@H](C)COc1ccccc1F 55674848 BIDCQHLGNVJTJO-NSHDSACASA-N 320.364 3.443 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 57287882 DSTFEGBBWGAUEG-HNNXBMFYSA-N 316.832 3.243 0 40 DGAB CC(C)c1ccc2nc(COCC(F)(F)F)[nH]c(=O)c2c1 57771941 DFMFZPGOBRQZEK-UHFFFAOYSA-N 300.280 3.125 0 40 DGAB Cc1nc(N2CCC[C@@H](N(C)C)C2)c2c3c(sc2n1)CCC3 57838885 AJRBZKJJAHKZDM-GFCCVEGCSA-N 316.474 3.019 0 40 DGAB O=C(NC[C@H]1CC=CCC1)c1ccc(-c2ccccc2)[nH]c1=O 65553382 XGDRWRXPNSYPLF-AWEZNQCLSA-N 308.381 3.128 0 40 DGAB CCCC[C@H]1CCC[C@@H]1NC(=O)Cn1c(CCC)n[nH]c1=S 65575981 JYMJQDNPZZRFIM-STQMWFEESA-N 324.494 3.368 0 40 DGAB CCCC[C@@H]1CCC[C@H]1NC(=O)Cn1c(CCC)n[nH]c1=S 65575983 JYMJQDNPZZRFIM-CHWSQXEVSA-N 324.494 3.368 0 40 DGAB C[C@H](NCc1csc(-c2ccccn2)n1)[C@@H](C)n1cccn1 69368494 MFRBMADNYULVNY-QWHCGFSZSA-N 313.430 3.141 0 40 DGAB CCCC(=O)N1CCC[C@H]1C(=O)NCC[C@@H](C)c1ccccc1 69414353 WFFCNRVIHMKZLA-WBVHZDCISA-N 316.445 3.088 0 40 DGAB Cn1cccc1C(=O)Nc1ccccc1Sc1nccn1C 69416397 NHNRSUFSFGMFLD-UHFFFAOYSA-N 312.398 3.162 0 40 DGAB C[C@@H](NC(=O)Cc1ccccc1F)c1ccc2c(c1)OCCO2 69430619 XUQJKUPAFPUYKB-GFCCVEGCSA-N 315.344 3.017 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 69454326 ZJXNGMCLKJTIGH-MRXNPFEDSA-N 315.392 3.425 0 40 DGAB O=C(c1cc(-c2ccccc2F)on1)N1CCCc2ncccc21 69527617 DEVJYNGXCCNXSQ-UHFFFAOYSA-N 323.327 3.469 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 70040184 WNZKUAZGORGKJH-INIZCTEOSA-N 301.434 3.181 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)cnc1N 72218435 VRLKZPJWNKZENU-INIZCTEOSA-N 311.385 3.446 0 40 DGAB O=S(=O)(Cc1ccccc1OC(F)(F)F)C(F)(F)F 72266194 HIAONSTWHRDSLD-UHFFFAOYSA-N 308.199 3.020 0 40 DGAB in-vitro Cc1nc(C2CCN(C(=O)Nc3ccc(Cl)cc3)CC2)n[nH]1 72301227 VTDHAPXMGFNWGU-UHFFFAOYSA-N 319.796 3.178 0 40 DGAB Cc1occc1-c1nn(Cc2ccc3ccccc3n2)c(=O)o1 72346462 BCGBSQBYIGLUQU-UHFFFAOYSA-N 307.309 3.001 0 40 DGAB c1ccc(-c2cc(CNCc3cccs3)c3nnnn3c2)cc1 72392291 GLFAKFZKTYJDGD-UHFFFAOYSA-N 321.409 3.143 0 40 DGAB Nc1ccc(Cl)c(-c2nn3c(C(F)(F)F)nnc3s2)c1 73634295 VXAJZBTWXJWUCR-UHFFFAOYSA-N 319.699 3.107 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cn2ccsc2n1 75132460 NQUHHLBVDSGRRP-CQSZACIVSA-N 315.446 3.083 0 40 DGAB CC(C)Sc1ccc(CC(=O)N[C@@H]2CCC[C@@H](O)C2)cc1 75156783 ZEBMYBXNCGBZTH-HUUCEWRRSA-N 307.459 3.149 0 40 DGAB CCO[C@@H]1C[C@@H](OC(=O)c2ccc(OC)nc2)C12CCCCC2 78948858 SFACRGTUAQYSCE-HUUCEWRRSA-N 319.401 3.375 0 40 DGAB CCO[C@@H](CCN(C)C)CNC(=O)Nc1ccc(C(C)C)cc1 79059258 VUSKEYRYXIKBMB-KRWDZBQOSA-N 321.465 3.288 0 40 DGAB COC[C@@H](NC(=O)N[C@@H](C)c1csc(C)n1)c1ccc(C)o1 84195183 ZQPIKLQTVUILCZ-CMPLNLGQSA-N 323.418 3.101 0 40 DGAB CC(C)(C)c1ncc(CNC[C@@H]2CCCn3ccnc32)s1 84325310 QYWKORWPPHKTSA-LBPRGKRZSA-N 304.463 3.304 0 40 DGAB CS[C@H]1CCC[C@@H]1N(C)C(=O)c1c(O)cc(F)cc1F 89334852 MJDKENQONKKWCS-JQWIXIFHSA-N 301.358 3.027 0 40 DGAB CC(C)(C)[C@H](NC(=O)Cn1ccnc1)c1ccc(F)cc1F 89621595 HQGQUGAAENDIOV-OAHLLOKOSA-N 307.344 3.065 0 40 DGAB Cc1ccc(CN(C)C(=O)Nc2cnc3[nH]nc(C)c3c2)cc1 89632259 JMKQOBXJDOPISF-UHFFFAOYSA-N 309.373 3.239 0 40 DGAB C[C@@H](N[C@H](C)c1ccco1)c1ccc(S(C)(=O)=O)c(F)c1 89904727 UDPPVIJMRGHBTF-GHMZBOCLSA-N 311.378 3.234 0 40 DGAB COc1ccc(OC(F)F)c(NCc2nnc(C(C)C)o2)c1 95426050 JLWSTYRZIGDUIG-UHFFFAOYSA-N 313.304 3.415 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cl)[C@@H](O)Cc1ccccc1 95431410 WJLYGVSJSBVJQQ-LRDDRELGSA-N 303.789 3.062 0 40 DGAB C[C@@H](Cc1ccc(Cl)cc1)C(=O)N1CCOc2ccncc21 95975102 NLQLAHMGPJCHDD-LBPRGKRZSA-N 316.788 3.339 0 40 DGAB O=C(NC1CC=CC1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 95984102 YSQOXULPIJYLTH-HUUCEWRRSA-N 306.793 3.188 0 40 DGAB C[C@@H]1CCC[C@H](Cn2c(CS(C)(=O)=O)nc3ccccc32)C1 96005594 MFPDTEDPALZHKV-KGLIPLIRSA-N 320.458 3.407 0 40 DGAB COC[C@H]1CN(Cc2ccsc2)Cc2nn(CC3CC3)cc21 96060445 FBKBVQTYBIIYCC-OAHLLOKOSA-N 317.458 3.100 0 40 DGAB COc1ccc(C(=O)NC[C@@H](OC)c2ccccc2C)cc1F 96105036 VNTLWGHCCYDFFU-QGZVFWFLSA-N 317.360 3.260 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 96432910 MSVXRQIWUQSJCT-ROUUACIJSA-N 310.397 3.118 0 40 DGAB COCc1nc(C(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)cs1 96441270 PLOVYYXYKIUAJS-YPMHNXCESA-N 320.414 3.496 0 40 DGAB C[C@@H](NCCCN1CCCC1=O)c1cccc(C(F)(F)F)c1 96476407 LUISGDMLCAGNMQ-GFCCVEGCSA-N 314.351 3.369 0 40 DGAB CC(C)c1nc([C@H](C)NC(=O)c2cccc(C(=O)O)c2)cs1 97022390 IKPGQPJPKVOOEL-JTQLQIEISA-N 318.398 3.456 0 40 DGAB O=C(NCC(F)F)Nc1ccc(Cl)c(OC(F)F)c1 97056972 BWSQZCGDCVGSFS-UHFFFAOYSA-N 300.639 3.328 0 40 DGAB COc1ccccc1C(=O)N[C@@H](CN1CCCC1)c1ccccc1 97121352 LHACMXDPZYNFBI-SFHVURJKSA-N 324.424 3.262 0 40 DGAB C[S@@](=O)Cc1ccccc1NC(=O)NCc1ccccc1F 97141009 YFQWGFYYTMMOMM-QFIPXVFZSA-N 320.389 3.026 0 40 DGAB CSc1ccc(CN(C)CC(=O)NCCC(C)(C)C)cc1 97473492 PITBCGWNZVWSKS-UHFFFAOYSA-N 308.491 3.393 0 40 DGAB CC1(C)CC[C@H]2C[C@@]1(C)CN2C(=O)NC(=O)c1ccccc1 100838927 IDAIMQZGKJXYQN-KSSFIOAISA-N 300.402 3.437 0 40 DGAB C[C@H](NC(=O)c1ccn(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 105646935 WBOVERIFEQOJAH-QBYUYEEZSA-N 309.413 3.427 0 40 DGAB COc1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105697377 NJYHWOBLBYTSOU-FHIRATQRSA-N 303.402 3.015 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 110615913 YVZNXIOJZJIKAF-ZNMIVQPWSA-N 319.449 3.061 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@@]4(O)CCCC[C@]34C)[C@@H]1CCC2=O 118930565 OPUILRVNLBOLOW-XOLUHBSGSA-N 304.430 3.282 0 40 DGAB Cc1c(C(=O)NC[C@H]2CCCO[C@@H]2C(C)C)cnn1CC(C)C 163975845 FFDVCKRPJPMETC-NVXWUHKLSA-N 321.465 3.029 0 40 DGAB CC[C@@](C)(NC(=O)[C@H]1COc2ccccc2C1)c1nccs1 172422984 IFSTZWULZNUWCI-CXAGYDPISA-N 316.426 3.136 0 40 DGAB C[C@@]1(c2ccccc2)CC[C@@H](N2CCC(n3cncn3)CC2)C1 189826526 RLGYUUYQIYMJSI-RTBURBONSA-N 310.445 3.425 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCC 223042624 TVAYTXIEQPBLSN-INIZCTEOSA-N 318.461 3.429 0 40 DGAB CCSc1nnc(NC(=O)Cc2ccc(OC)c(C)c2)s1 224780706 HYYAXFJBYKRJTR-UHFFFAOYSA-N 323.443 3.148 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@@H](CC)C(=O)N[C@@H](C)CC 225490766 DWXSVEDKFUITKJ-HOCLYGCPSA-N 304.434 3.119 0 40 DGAB O=C(NCc1ccc(-c2ccco2)nc1)c1cc(C2CC2)on1 225751564 WRJRLJRSRKUJDO-UHFFFAOYSA-N 309.325 3.137 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC1CCSCC1 245287301 BVSOUDSQZHHPBC-CRAIPNDOSA-N 304.503 3.382 0 40 DGAB O=C(c1ccncc1)N1C[C@H]2CCC[C@H](Cc3ccccn3)[C@H]2C1 257207489 BHZSXTLVRDASKB-ZHALLVOQSA-N 321.424 3.208 0 40 DGAB CCn1cc(C(=O)N2C[C@H]3C[C@H](OC)C[C@H]3C2)c2ccccc21 257228337 FTLHEPMBGFESPW-FICVDOATSA-N 312.413 3.158 0 40 DGAB Cc1cccc(C)c1NC(=O)N1CC[S@](=O)C(C)(C)CC1 459307561 OHQFQXWBWNTNRA-NRFANRHFSA-N 308.447 3.068 0 40 DGAB CO[C@@H]1C[C@H](N(C)C(=O)Nc2cncc(Cl)c2C)C12CCC2 518914402 XLUFXCWBYPTDOP-UONOGXRCSA-N 323.824 3.465 0 40 DGAB CSCC[C@@H](C(=O)Nc1nnc(C2CC2)s1)n1cccc1 575443015 MNLXHDXZHYRBAT-NSHDSACASA-N 322.459 3.150 0 40 DGAB CCOc1ccc(NC(=O)N2CCCN(C3CCC3)CC2)cc1 823379131 GOFNJNXNLTYXRI-UHFFFAOYSA-N 317.433 3.177 0 40 DGAB Cc1cnc(N(C)[C@H]2CCCN(Cc3ccccc3F)C2)nc1 1889125197 SLQBPHVOVHFCMP-INIZCTEOSA-N 314.408 3.025 0 40 DGAB Clc1ccc([C@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 113676 BPSAFOAGAPTQHS-HUUCEWRRSA-N 311.776 3.473 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3cc(F)ccc3F)CC[C@@]1(C)C(=O)O2 1432744 XBQVXVQKRWGHBD-JKSUJKDBSA-N 309.312 3.025 0 40 DGAB COC(=O)c1c(O)c2c(c3c1OC(C)(C)CC3)OC(C)(C)CC2 1607490 YCMSOWZRNXKKKJ-UHFFFAOYSA-N 320.385 3.386 0 40 DGAB CCC(C(=O)Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 2481725 BVNAJBHTUFQMDY-UHFFFAOYSA-N 304.190 3.443 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)cc1 3097279 DLTIGJNQDRWILU-KDOFPFPSSA-N 301.386 3.401 0 40 DGAB COc1ccccc1N1CCN(C(=O)c2sccc2C)CC1 5094215 XFKJDLJUQDUSLN-UHFFFAOYSA-N 316.426 3.028 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)c(C)c1 5440018 GKFCXZKOEJJKMF-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB CCn1c([C@H](NC(=O)c2ccc(C)cc2)C(C)C)n[nH]c1=S 5445063 AQIXONUALVHLDO-CYBMUJFWSA-N 318.446 3.396 0 40 DGAB CCCc1cc(O)nc(S[C@@H](C(=O)O)c2ccccc2)n1 6380045 BBPVBBRAZXUBHR-CYBMUJFWSA-N 304.371 3.053 0 40 DGAB CCOc1ccc(-c2nonc2NC(=O)C(C)C)cc1OCC 6811491 PXTTUWSNNYRFQR-UHFFFAOYSA-N 319.361 3.129 0 40 DGAB Cc1ccc2nc(COC(=O)c3cccc(N(C)C)c3)cn2c1 8425171 ITDRTNKWGOWFNF-UHFFFAOYSA-N 309.369 3.066 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1ncc(-c2ccccc2)o1 9321310 JZJDSJKTISRPNE-UHFFFAOYSA-N 322.320 3.000 0 40 DGAB Cc1nnc(NC(=O)/C=C/c2cccc(Br)c2)s1 9414542 WJIJAVPPDZBMGH-AATRIKPKSA-N 324.203 3.261 0 40 DGAB CC(C)n1ncc2c(C(=O)NC3CC3)cc(-c3ccco3)nc21 10131112 NUMUEFJJRGIOQI-UHFFFAOYSA-N 310.357 3.164 0 40 DGAB COC(=O)/C(=C\c1ccccc1)c1cc(=O)c2ccccc2[nH]1 11906976 PCTTVMDHHVDVKR-PTNGSMBKSA-N 305.333 3.242 0 40 DGAB Cc1nc2c(-c3ccccc3)c(C)nn2c(NCCCO)c1C 12113344 UNKBPQVPXWAXBI-UHFFFAOYSA-N 310.401 3.116 0 40 DGAB Clc1ccc(C2=C[C@@H](c3cccnc3)N3NN=NC3=N2)cc1 12700289 YQBDFAGDVGDDHO-AWEZNQCLSA-N 310.748 3.374 0 40 DGAB C[C@H]1c2cccn2CCN1Cc1nc(-c2ccsc2)no1 12792792 FMIAOMKCAOWZNV-NSHDSACASA-N 300.387 3.176 0 40 DGAB COc1ccc(-c2noc([C@@H](C)NC(=O)c3ccccc3)n2)cc1 13495124 CGRLBPVYQXRZLQ-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB CC(C)(C)c1nnc(NC(=O)CCc2cc(Cl)no2)s1 13944167 COZGYQHETVKMCI-UHFFFAOYSA-N 314.798 3.048 0 40 DGAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@H]1c1cc(C)ccc1C 15016919 BKNNDDXGKVUXBZ-INIZCTEOSA-N 316.401 3.227 0 40 DGAB CCn1nnc2cc(C(=O)N(C)[C@@H](C)c3ccccc3)ccc21 15596744 VHSMUJFHBVFARI-ZDUSSCGKSA-N 308.385 3.284 0 40 DGAB Cc1cccc(NC(=O)C2(c3ccc(F)cc3)CCOCC2)n1 16985923 JDBBUHOSQDJICQ-UHFFFAOYSA-N 314.360 3.216 0 40 DGAB COC(=O)c1sccc1NC(=O)Cc1c[nH]c2ccccc12 18029785 HMWMOTJMEIBBJO-UHFFFAOYSA-N 314.366 3.197 0 40 DGAB Cc1nc(N2C[C@H](C)O[C@H](C)C2)c2c3c(sc2n1)CCCC3 18117712 HMFBMXWUSIKGNT-PHIMTYICSA-N 317.458 3.492 0 40 DGAB Cc1ccc(C2(CN3CCN(Cc4cccnc4)CC3)CC2)cc1 19208421 YKETZPRTMFLXGN-UHFFFAOYSA-N 321.468 3.239 0 40 DGAB COC(=O)c1ccc(CS(=O)(=O)c2ccc(Cl)cc2)cc1 20368853 PMWUZAQVESXRNX-UHFFFAOYSA-N 324.785 3.101 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2C)c1 20460655 GVCRBZOBUZXXPY-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB Cc1nc(NC(=O)c2cccs2)nc2c1C(=O)CC(C)(C)C2 20633901 OWPHVMORVXUBAR-UHFFFAOYSA-N 315.398 3.254 0 40 DGAB O=C(NCc1cc(-c2ccco2)on1)c1ccc(F)c(F)c1 22768509 MTIAZWBMQHDEJN-UHFFFAOYSA-N 304.252 3.143 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N1CCC[C@H]1c1ccncc1 22960366 KVAOARAZLNASFW-HNNXBMFYSA-N 320.389 3.055 0 40 DGAB O=C(NCCc1ccc(F)cc1)c1cc(Cl)c(Cl)[nH]1 23684420 JOQKULJYRQBVHQ-UHFFFAOYSA-N 301.148 3.433 0 40 DGAB Cc1noc(C)c1CC(=O)OCc1coc(-c2cccs2)n1 24267660 AVOMNZMWHQENIM-UHFFFAOYSA-N 318.354 3.294 0 40 DGAB Cc1nc(CC(=O)N[C@H](c2ccccc2)c2ccccn2)cs1 29711931 QMOLLDSSYPISOE-GOSISDBHSA-N 323.421 3.295 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)c1ccc2c(c1)OCO2 30844935 AERAAVWCONRMOA-UHFFFAOYSA-N 303.745 3.341 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c(O)c1 31284161 PDAOAUDEERAYDQ-UHFFFAOYSA-N 310.353 3.301 0 40 DGAB CCn1nc(C)cc1NS(=O)(=O)c1ccc2ccccc2c1 32609636 CWFAFRPDYKWSDG-UHFFFAOYSA-N 315.398 3.165 0 40 DGAB Cc1cccc(C)c1OCCNC(=O)[C@@]1(C)CC1(Cl)Cl 32931328 CNVUCSFCAVTEHA-CQSZACIVSA-N 316.228 3.382 0 40 DGAB O=C(C1CCN(Cc2ccccc2F)CC1)N1CCCCCC1 39743419 MENDJZFYALESSU-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB CCN(Cc1ccccc1)C(=O)NCCOc1ccccc1F 40068715 CKHYNASBSXOHAY-UHFFFAOYSA-N 316.376 3.436 0 40 DGAB CN(C)CC(C)(C)CNC(=O)c1ccc(OC2CCCC2)cc1 40073508 YCDPVSMUTPSUAE-UHFFFAOYSA-N 318.461 3.326 0 40 DGAB O=C(NOCc1ccccc1)c1cc(F)cc(Br)c1 40106546 DHDZZKPRVZOYDX-UHFFFAOYSA-N 324.149 3.450 0 40 DGAB Cc1noc(C)c1COc1ccc(CC(=O)N2CCCC2)cc1 40457525 MEHKZGJUWWEKCJ-UHFFFAOYSA-N 314.385 3.035 0 40 DGAB Cc1c(C(=O)N[C@H]2CCc3ccccc32)[nH]c2c1C(=O)CCC2 40476155 RNAVRPWWCPZMBU-AWEZNQCLSA-N 308.381 3.259 0 40 DGAB O=C(NCC1(c2ccccc2)CCC1)[C@H]1COc2ccccc2O1 42038251 ZGEYOLCBFBOFND-GOSISDBHSA-N 323.392 3.065 0 40 DGAB C[C@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccco1 44895309 RIFAUSXZDCYKRW-XJKSGUPXSA-N 324.384 3.163 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)NCCc2cccs2)cc1 48390592 TXAUYSDMKAQKLJ-UHFFFAOYSA-N 317.414 3.461 0 40 DGAB O=C(Cc1ccsc1)NC[C@H]1CCN(c2ccc(F)cc2)C1 57057511 KHVJOECEERCUNA-CQSZACIVSA-N 318.417 3.072 0 40 DGAB O=C(Nc1ccccn1)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 57197755 FGVQWNPJBJAOOF-ZBFHGGJFSA-N 315.348 3.263 0 40 DGAB CCN(C(=O)CNc1cccc(C(C)=O)c1)C1CCCCC1 57991514 CDHDCVYTMFARIN-UHFFFAOYSA-N 302.418 3.482 0 40 DGAB CC1CCN(C[C@@H]2CCCN(C(=O)c3ccccc3)C2)CC1 58365412 WBEOFHUCTHWKFX-KRWDZBQOSA-N 300.446 3.271 0 40 DGAB CC(C)CNC(=O)Nc1ccccc1CN1CCSCC1 61789623 AIKIGNPXOCJZQD-UHFFFAOYSA-N 307.463 3.013 0 40 DGAB C[C@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)C1CC1 62021692 ZCTCYGQUPWUWLL-FQEVSTJZSA-N 323.392 3.201 0 40 DGAB O=C(c1ccccc1)c1cccc(NC(=O)c2cnsn2)c1 65493156 CHOVTVAKIKCEME-UHFFFAOYSA-N 309.350 3.021 0 40 DGAB Cn1nccc1C(=O)NC(C)(C)c1ccc(Cl)c(Cl)c1 65575157 WERWJZDMBGNZKA-UHFFFAOYSA-N 312.200 3.392 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H]1CN1CCCC1 66944565 GTKRBANDYWXDGP-MJGOQNOKSA-N 312.457 3.193 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)Cc2cccc(Cl)c2)C1 67906880 PIHICHLMNRZMKD-CQSZACIVSA-N 308.853 3.121 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1cc(Cl)c2c(c1)OCO2 69508542 DEPMOJNYNJABLT-UHFFFAOYSA-N 323.698 3.483 0 40 DGAB Cc1n[nH]cc1CNC(=O)C[C@H](c1ccccc1)C(F)(F)F 69657018 SKTGBLPYYGOSAR-CYBMUJFWSA-N 311.307 3.071 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NC[C@@H](O)Cc1ccccc1 70639244 SNVAYYHMNKVXEZ-OFAQMXQXSA-N 315.800 3.073 0 40 DGAB CC(C)(CNC(=O)N1CCC[C@H](CO)C1)c1ccccc1Cl 71795692 GAESVCMBYFVASR-ZDUSSCGKSA-N 324.852 3.032 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1C 72227869 PLHMNBYXIRIYQY-CVEARBPZSA-N 300.789 3.372 0 40 DGAB O=c1ccn(CCCOc2ccc3c(c2)OCO3)c2ccccc12 72294835 AYJKWOUQKVLMCR-UHFFFAOYSA-N 323.348 3.199 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)C3=COCCC3)C2)sc1C 72297387 MLHRLYPZTWEKFN-ZDUSSCGKSA-N 306.431 3.160 0 40 DGAB CNC(=O)Cc1nc(CN[C@@H]2CCCC[C@H]2C(C)(C)C)cs1 72309160 VWBDLMMUWLIOSM-ZIAGYGMSSA-N 323.506 3.126 0 40 DGAB Nc1ncc(-c2ccc(C(F)(F)F)cc2)c([C@@H]2CCCNC2)n1 72345878 BTYTYPUKIUVWLY-LLVKDONJSA-N 322.334 3.212 0 40 DGAB O=C(Nc1cc(Cl)c(Cl)cn1)c1ccnc(C2CC2)n1 72530600 UWSXASAFIUTXGM-UHFFFAOYSA-N 309.156 3.308 0 40 DGAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2CC[C@@H]1COC2 75166528 MGQXSKCKGNJXRL-OKILXGFUSA-N 321.376 3.314 0 40 DGAB CCO[C@H]1C[C@@H](NC(=O)c2c(C)noc2C)C12CCCCC2 76042213 ULEVOVPQXDOQIJ-KGLIPLIRSA-N 306.406 3.149 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)Nc1cccc2[nH]ccc12 76070039 UCAAOLCLMIFTGH-UHFFFAOYSA-N 311.389 3.342 0 40 DGAB O=C(NCc1ccncc1)N(Cc1ccc(F)cc1F)C1CC1 78408706 KKWAWWXDWOYTHX-UHFFFAOYSA-N 317.339 3.234 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCO[C@H]1CCCC[C@@H]1C 79306023 AVSZIITZOAKFPG-HUBLWGQQSA-N 323.437 3.247 0 40 DGAB CC(C)c1nc([C@@H](C)NC(=O)CCCn2ccnc2)cs1 79310785 URZNOFCZJKCYFR-GFCCVEGCSA-N 306.435 3.121 0 40 DGAB Cc1sc(C(=O)N2CCC(O)CC2)cc1-c1ccc(F)cc1 84028491 QPCRVZMKEDWYPS-UHFFFAOYSA-N 319.401 3.460 0 40 DGAB COC(C)(C)c1noc(-c2ccc(Br)s2)n1 84370447 GKDIPLDCXPKJTC-UHFFFAOYSA-N 303.181 3.442 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc(-n3nccn3)cc2)C1(C)C 84671102 LVOVKNYHPCBZKI-HZPDHXFCSA-N 310.401 3.444 0 40 DGAB CCC[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 84740687 XQVONRFISBGWIX-HOTGVXAUSA-N 320.477 3.206 0 40 DGAB CCc1noc([C@H](C)Nc2ccc3oc(N(C)C)nc3c2)n1 89290045 VNCXXKMJEVKWFD-VIFPVBQESA-N 301.350 3.012 0 40 DGAB CCc1noc(C[S@@](=O)Cc2cccc3ccccc23)n1 89295443 OFFJQQZDUWNREX-OAQYLSRUSA-N 300.383 3.234 0 40 DGAB O=C(N[C@H](c1cccc(Cl)c1)c1ccccn1)c1ccon1 89878981 YMCXCGJNEIDBSY-OAHLLOKOSA-N 313.744 3.242 0 40 DGAB Cc1ccc(Cn2cccc(NC(=O)c3ccoc3)c2=O)cc1 95436448 PBQUJCIMLAXETD-UHFFFAOYSA-N 308.337 3.050 0 40 DGAB Cc1cc(C(=O)Nc2ccc(N(C)CCO)cc2)c(C)s1 95451235 LZVJWVUZXCUNNK-UHFFFAOYSA-N 304.415 3.046 0 40 DGAB COc1ccc(-c2nc3nccc(-c4ccco4)n3n2)c(OC)c1 95474536 VZFPYZBAYDARAG-UHFFFAOYSA-N 322.324 3.069 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1cn(C)c2cc(Cl)ccc12 95479710 FDKWGWDCZDMGTR-ZDUSSCGKSA-N 319.836 3.046 0 40 DGAB CC[C@H](NC(=O)c1nc(-c2ccco2)sc1C)c1ncc[nH]1 95945569 APQYOKQNLHZUBO-JTQLQIEISA-N 316.386 3.316 0 40 DGAB COc1cc(CNc2ccc(Cl)nc2)cc(OC)c1OC 95975410 AQIRDVQNCMNWNX-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1ncc(Cl)cc1Cl 95990713 QMQWTUCNHJLKIT-UHFFFAOYSA-N 324.142 3.286 0 40 DGAB CC(C)OCc1nn(C)c2c1CCN(Cc1ccc(F)cc1)C2 96058972 NNXDINFQTZAAKB-UHFFFAOYSA-N 317.408 3.043 0 40 DGAB c1ccc(OC[C@H]2CCCN(Cc3nnc(C4CC4)o3)C2)cc1 96411358 FQXFUWXGPZZIFL-AWEZNQCLSA-N 313.401 3.238 0 40 DGAB C[C@@H](S[C@H]1CCCN(c2cnn(C)c2)C1=O)c1cccs1 96424936 XFKNNMBJMCLRAI-RISCZKNCSA-N 321.471 3.471 0 40 DGAB C[C@@H](NC(=O)CC[C@H]1CCCO1)c1cccc(-n2ccnc2)c1 96432061 UWFVXYPYJCQYNB-RHSMWYFYSA-N 313.401 3.009 0 40 DGAB Cc1nc(C(C)(C)NCC(=O)N2C[C@H](C)C[C@@H](C)C2)sc1C 96443586 SAMAKDJDZBWTGJ-VXGBXAGGSA-N 323.506 3.089 0 40 DGAB C[C@@H](Cn1cncn1)N[C@H](C)c1cc2cc(Cl)ccc2o1 97034475 BCGZDQBKUYFISC-WDEREUQCSA-N 304.781 3.417 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)Nc1cc(C(=O)O)ccc1F 97036165 GGTJHZFLFFUZKK-VIFPVBQESA-N 307.346 3.403 0 40 DGAB CC(=O)Nc1cccc([C@H](C)Nc2cnn(CC(F)F)c2)c1 97038008 MGORMSPMVYJPDR-JTQLQIEISA-N 308.332 3.280 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)CCO1 97079690 URPCWFSCNJXSNI-YNEHKIRRSA-N 309.431 3.031 0 40 DGAB O=C(OC1CCN(CC(F)F)CC1)c1cccc2ncccc12 97113133 HOPHDZJXWSMTPU-UHFFFAOYSA-N 320.339 3.121 0 40 DGAB CC(C)(C)c1ccc(CS(=O)(=O)CCCc2cn[nH]c2)cc1 97164544 ZPCJXTCNLSQTHY-UHFFFAOYSA-N 320.458 3.255 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2CCN(Cc3ccccc3)[C@H]2C1 100058210 YESBJFJJWMHILD-HOTGVXAUSA-N 302.418 3.128 0 40 DGAB in-vitro CCN(C(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C)c1ccccc1 100266721 TTYWVWGFQQCIML-ROUUACIJSA-N 301.386 3.161 0 40 DGAB COc1ccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)cc1 100746637 VPQQKWWSZVFVHQ-ROUUACIJSA-N 301.386 3.419 0 40 DGAB COc1cccc([C@@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1 100892682 WUXDTOSTGCQZDK-KRWDZBQOSA-N 322.343 3.482 0 40 DGAB CCCS(=O)(=O)Nc1ccc(-c2nccn2C(F)F)cc1 101983144 VDDWWJKPCHGFDH-UHFFFAOYSA-N 315.345 3.097 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)N(C)CCc1ccc(F)cc1 108347037 OHARULNACGIXQI-QLFBSQMISA-N 306.425 3.088 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 113959682 RBHKELQFWKAADQ-OLZOCXBDSA-N 317.360 3.479 0 40 DGAB O=C(NO[C@@H]1CCCCO1)N(Cc1ccco1)Cc1ccco1 166918558 BDPGMSJEFWICSO-OAHLLOKOSA-N 320.345 3.043 0 40 DGAB C[Si](C)(C)c1c(F)ccc(I)c1F 202891636 AMFFEWXGBVPPKV-UHFFFAOYSA-N 312.173 3.115 0 40 DGAB Cc1n[nH]c(C)c1C(=O)N1CCS[C@H](c2cccs2)CC1 219521744 SABBPAXODKSXER-ZDUSSCGKSA-N 321.471 3.408 0 40 DGAB COc1ccc(S(=O)(=O)NCc2ccc(C(C)C)cc2)cc1 223728626 FJFBNDPGGPYKGZ-UHFFFAOYSA-N 319.426 3.297 0 40 DGAB COCc1cccc(NC(=O)[C@H](C)Oc2ccccc2OC)c1 224601813 DKQVFKYTMAOJBN-ZDUSSCGKSA-N 315.369 3.248 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCC1=CCCCC1 224612039 UXEXYYYLGROTTO-OAHLLOKOSA-N 303.402 3.469 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1cccc(Cl)c1 225470461 OVLFUGLIYFVDHF-UHFFFAOYSA-N 319.792 3.042 0 40 DGAB CCCCCNC(=O)c1snnc1-c1ccc(OC)cc1 225763377 ZSLKKHHKTMZNGZ-UHFFFAOYSA-N 305.403 3.134 0 40 DGAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2cccc(Cl)c2)CC1 240685993 AJUVUWDJBCNZON-LBPRGKRZSA-N 322.836 3.107 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H](Cc3cccc(C)n3)C2)on1 257215348 CPRZDSZWSGZUIA-AWEZNQCLSA-N 313.401 3.035 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccc(F)cc2)n1 257310478 UFFCZXQXIMROTN-HNNXBMFYSA-N 301.365 3.154 0 40 DGAB c1cncc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)c1 257331911 XUUITLPNWSKXAI-SFHVURJKSA-N 321.424 3.254 0 40 DGAB COC(=O)CSc1n[nH]c(-c2ccc(Cl)cc2Cl)n1 408528317 VYVUWMYFDFNOEY-UHFFFAOYSA-N 318.185 3.044 0 40 DGAB CCOC(=O)[C@@H](Cc1ccc(Cl)nc1)C(=O)c1ccccc1 408731848 NKJSXCYIYYTPSM-AWEZNQCLSA-N 317.772 3.340 0 40 DGAB O=C(O)c1ccc(CN2CCO[C@@H](c3cccc(F)c3)C2)s1 567173379 XZVZMLQPSDEQIB-CQSZACIVSA-N 321.373 3.159 0 40 DGAB C[C@H](NCc1ccc(OCC(F)(F)F)nc1)[C@@H]1CCCCO1 585123278 VLVBGPLADPKEBP-AAEUAGOBSA-N 318.339 3.070 0 40 DGAB C[C@H](CC(=O)N[C@@H](C)c1cnccn1)Cc1cccc(F)c1 585125844 HGJSHIBBKZBBBA-STQMWFEESA-N 301.365 3.062 0 40 DGAB CC(C)[C@H](NCc1cc2c(Cl)nccc2o1)c1nncn1C 585136409 DYRLVNUEHFPWHH-ZDUSSCGKSA-N 319.796 3.097 0 40 DGAB C=CC(=O)N1CCC[C@@H](c2ccnc(Nc3ncccc3C)c2)C1 585290747 DQXNZQJFSGAYJX-MRXNPFEDSA-N 322.412 3.421 0 40 DGAB Cc1nc2ccccc2n1C1CN(c2nc3cnccc3s2)C1 1775974463 SRUKFVRZMHRSBK-UHFFFAOYSA-N 321.409 3.411 0 40 DGAB CC1=C[C@H](O)[C@@H](C(O)(C(F)(F)F)C(F)(F)F)C(C)(C)C1 1637026 MXANCGMHRZANOV-JGVFFNPUSA-N 306.246 3.195 0 40 DGAB CCC12CN3CC(CC)(CN(C1)C3c1ccc(Cl)cc1)C2=O 19319758 ASPHVSCAMAFTBN-UHFFFAOYSA-N 318.848 3.345 0 40 DGAB biogenic Cc1nc([C@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)sc1C 72297509 WCDXDZNKDHVBEF-UONOGXRCSA-N 308.447 3.035 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)NCCC2=CCCCC2)c1 7376273 NIKBNJJTZSYVGN-UHFFFAOYSA-N 307.415 3.058 0 40 DGAB COc1cc(Br)cc(C=O)c1OCc1ccccn1 8702289 LZRWJZTXUZXMBQ-UHFFFAOYSA-N 322.158 3.244 0 40 DGAB C[C@H](NC(=O)c1nn(-c2ccccc2F)c2c1CCC2)C1CC1 42884606 QMHMNCNZKGOCFX-NSHDSACASA-N 313.376 3.028 0 40 DGAB CCOc1ccc(C(=O)Nc2nc3c(s2)CCC3)cc1OC 9049607 WEQAJTFQOMTQRF-UHFFFAOYSA-N 318.398 3.291 0 40 DGAB CC(C)C(=O)OCc1nc(N)c2c3c(sc2n1)CCCCC3 12553967 RXNCBRPEMQTRQI-UHFFFAOYSA-N 319.430 3.242 0 40 DGAB Cn1cc(NC(=O)c2cc3c(s2)-c2ccccc2OC3)cn1 25307646 CPLCMUZPOWWZHR-UHFFFAOYSA-N 311.366 3.293 0 40 DGAB COc1ccc(CCNC(=S)c2ccccc2OC)cc1 9188132 MWIDURNMTWTCJX-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB CCCCNC(=O)[C@H](CC(C)C)NC(=O)Nc1ccccc1 3213917 NUMQQGYGAICILT-HNNXBMFYSA-N 305.422 3.139 0 40 DGAB O=C(COc1ccc2ccccc2c1)Nc1cc(C2CC2)n[nH]1 58158547 SJFJZVNKUKUJHD-UHFFFAOYSA-N 307.353 3.458 0 40 DGAB O=C(c1csc(-c2cnn(-c3ccccc3)c2)n1)N1CCCC1 58217850 IOILLGCZZPIJEF-UHFFFAOYSA-N 324.409 3.232 0 40 DGAB COc1cc(CC(=O)NCCc2c[nH]c3ccccc23)ccc1C 12607850 PMYIPLKKTOIDGV-UHFFFAOYSA-N 322.408 3.386 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)N(C)Cc1cc(C)on1 44971088 GUBMHGDCSUCJHQ-LLVKDONJSA-N 321.352 3.033 0 40 DGAB C[C@H](CNC(=O)C(=O)Nc1ccc(Cl)cc1)c1ccccc1 52835781 NDEOVGPWKDUGOJ-GFCCVEGCSA-N 316.788 3.198 0 40 DGAB CC(C)(C)c1cnc(CN2CCCN(CC(F)(F)F)CC2)o1 58577516 QONQJOGRSSMOTE-UHFFFAOYSA-N 319.371 3.042 0 40 DGAB Cc1noc2nc3c(c(C(=O)Nc4ccc(F)cc4)c12)CCC3 36366639 ONZPGBMKSAEQGH-UHFFFAOYSA-N 311.316 3.411 0 40 DGAB Cc1csc(CCNC(=O)NCC2(c3ccccc3)CC2)n1 45681322 VYRMIHFFKYYKHI-UHFFFAOYSA-N 315.442 3.025 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)N[C@H](C)Cn1cccn1 46464400 RJDNACCQZXSIAV-OCCSQVGLSA-N 318.446 3.052 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2cc(F)ccc2F)c1 28304529 YSENEAJJBUJHPK-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB O=C(Nc1ccn(Cc2ccccc2Cl)n1)c1ccncc1 27915787 MDUWDZJDAKKVGQ-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB O=C(c1ccncc1)N1CCc2cc(Br)ccc21 49342646 HWFGMFHBDZZLSE-UHFFFAOYSA-N 303.159 3.047 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccc3c(c2)COC3)cn1 64488949 GBOMIWXYRWFWOT-UHFFFAOYSA-N 311.385 3.210 0 40 DGAB CCCOC(=O)c1[nH]c2c(c1C)C(=O)C[C@H](c1ccco1)C2 4488753 CRDVVPPDJUZPSG-LLVKDONJSA-N 301.342 3.396 0 40 DGAB Cc1cc(C(=O)Nc2ccc(OC(F)F)c(Cl)c2)on1 9389148 MMXLLTJZJWVIBK-UHFFFAOYSA-N 302.664 3.490 0 40 DGAB O=Cc1cc(Br)ccc1OC(=O)/C=C/c1ccco1 4504356 VMUDZRZPIFGRCZ-GQCTYLIASA-N 321.126 3.473 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)Nc1ccncc1F 97136059 RASVYXARNQPTJW-GFCCVEGCSA-N 314.364 3.093 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)[C@H]1C[C@@H]1c1ccccc1F 9318854 JPJXUDJAOTVKQE-OLZOCXBDSA-N 309.344 3.122 0 40 DGAB CC[C@H](OC(=O)c1cc(C)ccc1C)C(=O)Nc1cc(C)on1 9365504 KZFRRNVVWGCYGF-AWEZNQCLSA-N 316.357 3.174 0 40 DGAB O=C(NC1CCCCCC1)c1ccc(OCC(F)(F)F)nc1 14269852 HXVXYSRJKZMCHQ-UHFFFAOYSA-N 316.323 3.475 0 40 DGAB O=C(CO)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 6551065 RKOOILCVZHDYTR-UHFFFAOYSA-N 303.170 3.048 0 40 DGAB COC(=O)c1coc(C(=O)Nc2ccnn2C2CCCCC2)c1 97115257 WYWHHRIDNDBMMX-UHFFFAOYSA-N 317.345 3.020 0 40 DGAB N=C1NC(=O)/C(=C/c2cccc(OCc3ccccc3)c2)S1 5647187 ICHCDPSODWUCLP-GDNBJRDFSA-N 310.378 3.404 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1C(=O)NCc1ccco1 6770819 STXPVRILWPEWOA-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB COc1ccc(N2C(=O)/C(=C/c3ccc(C)cc3)NC2=S)cc1 5793942 VCLQESCUOOHVLH-WJDWOHSUSA-N 324.405 3.266 0 40 DGAB O=c1c(NCc2ccccc2Cl)nccn1-c1ccccc1 6914817 KORLOIBRGCACBC-UHFFFAOYSA-N 311.772 3.498 0 40 DGAB Cc1ccc(-c2nnc(NC(=O)COc3ccccc3C)[nH]2)cc1 8117056 WWFNEENXHSZNPB-UHFFFAOYSA-N 322.368 3.106 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H]2c2cccs2)n1 71828045 KCXMUROFPTZZOK-ZIAGYGMSSA-N 303.431 3.486 0 40 DGAB O=C(C1CC(c2ccccc2)C1)N1CCN(Cc2ccco2)CC1 71833053 GDDAJHKHLHBVIX-UHFFFAOYSA-N 324.424 3.118 0 40 DGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1 69433397 WOHWEDPTPXJOSB-AWEZNQCLSA-N 303.427 3.283 0 40 DGAB CCc1c(C(=O)N[C@@H](C)c2ccc(C)o2)cnn1-c1ccccn1 69453251 LTYARHGDYLBZEQ-ZDUSSCGKSA-N 324.384 3.222 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2CCCc2nc3ccccc3o2)c1 71875966 HVGKAQQJVSLFOU-INIZCTEOSA-N 324.428 3.430 0 40 DGAB C[C@H](NC(=O)c1cncc(Br)c1)c1cccs1 17842129 BGQFSSFIBUQDFU-QMMMGPOBSA-N 311.204 3.397 0 40 DGAB CCC(=O)Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O 69895431 ZVQQPENZDWKCGS-UHFFFAOYSA-N 316.357 3.243 0 40 DGAB COCCOCCCC(=O)Nc1cc(-c2ccccc2)ns1 71911334 AJPHTGPCFMXABB-UHFFFAOYSA-N 320.414 3.192 0 40 DGAB Cc1[nH]c(C(=O)N2CCC[C@H](C)C2)c(C)c1C(=O)OC(C)C 9603720 RWFRYBPQUFNIDF-NSHDSACASA-N 306.406 3.069 0 40 DGAB Cc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)[nH]1 97035288 FTIVEEBLFMQOJE-CYBMUJFWSA-N 320.776 3.231 0 40 DGAB CCSc1cccc(NC(=O)N2CCOC[C@@H]2C2CC2)c1 95976535 KQEVHDRPSAPLDO-OAHLLOKOSA-N 306.431 3.441 0 40 DGAB COc1ccc(C)cc1CN(C)C(=O)c1ccc(N(C)C)cc1 9918661 YVWYYTQDVFOPTG-UHFFFAOYSA-N 312.413 3.342 0 40 DGAB CC(C)(C)[C@@H](NC(=O)Cn1ccnc1)c1ccc(F)cc1F 89621597 HQGQUGAAENDIOV-HNNXBMFYSA-N 307.344 3.065 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cnc(C(C)(C)C)s1 89949107 ZNZOGGDDTDFERD-UKRRQHHQSA-N 323.506 3.177 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@@H]1C[C@H]2CC[C@H]1O2 110672316 ODSMHPPIJZZFOH-SOCHQFKDSA-N 314.154 3.094 0 40 DGAB CCc1c(NC(=O)c2ccc(NC)cn2)cnn1C(CC)CC 1556458737 XTXBESIBLOPKTF-UHFFFAOYSA-N 315.421 3.496 0 40 DGAB Cn1c(=O)n(Cc2coc(-c3cccc(F)c3)n2)c2ccccc21 32803945 ZUZRQNGHTWJGQP-UHFFFAOYSA-N 323.327 3.182 0 40 DGAB CC(C)(C)OC(=O)NCCCC(=O)c1cccnc1NC1CC1 72213702 UIEXMHWPIZIQMS-UHFFFAOYSA-N 319.405 3.144 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(F)cc1OCC1CC1 77724513 FJQGGLIXGAEVDI-UHFFFAOYSA-N 315.348 3.331 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@](C)(O)c2ccccc2)cc1 70639583 VZSIGOXSPQPFLS-IBGZPJMESA-N 313.397 3.111 0 40 DGAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccccc2C)no1 225816665 FKYJSXYQGAEESO-ZDUSSCGKSA-N 301.390 3.282 0 40 DGAB NCc1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1 199826810 XMLLKHAJYRTEMH-UHFFFAOYSA-N 310.275 3.296 0 40 DGAB CCOC(=O)[C@@H]1Cc2ccccc2CN1Cc1ccc(F)cc1 199416153 XOZKUUDOEUVHBY-SFHVURJKSA-N 313.372 3.316 0 40 DGAB COc1cccc(OCC(=O)NCc2ccc(Cl)cc2)c1 44508908 RTTATQNVQOUNOW-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB CC(C)SCc1cccc(NC(=O)CNC[C@@H]2CCCO2)c1 225473420 DKZOSLFJAVFHAK-INIZCTEOSA-N 322.474 3.035 0 40 DGAB COc1ccc(O[C@@H](Cc2ccc(C)cc2C)C(=O)O)cc1 225026164 LKCDUARDILOSBX-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB O=C(Nc1cccnc1)N1CC(Cc2ccccc2Cl)C1 96454103 JFNKXHGTCGWIRY-UHFFFAOYSA-N 301.777 3.441 0 40 DGAB CCn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1ccco1)C2 96059926 QECFDVWFVVYXFC-INIZCTEOSA-N 315.417 3.022 0 40 DGAB Cc1cc(Br)cc2c(SCC(=O)O)ccnc12 95095276 DJAQCLRRAOJVLW-UHFFFAOYSA-N 312.188 3.482 0 40 DGAB Cc1noc(C)c1CONC(=O)Cc1ccc2ccccc2c1 96414749 OUGKRQYBMTTXEU-UHFFFAOYSA-N 310.353 3.235 0 40 DGAB CC(C)=C(C)CC(=O)NCc1nccn1CCc1ccccc1 585121275 KRCBGLBAXIUALT-UHFFFAOYSA-N 311.429 3.488 0 40 DGAB CNC(=O)[C@H](Cc1ccccc1)SCc1nc(C)c(C)s1 97375844 OHYJVXJYKJGJIV-AWEZNQCLSA-N 320.483 3.350 0 40 DGAB CCOCc1ccccc1NC(=O)N[C@@H]1CCCC[C@@H]1OC 96434261 AGYYOXQSAFKDRD-CVEARBPZSA-N 306.406 3.302 0 40 DGAB Cn1cc([C@H](O)CN[C@H]2CCCC[C@H]2C2=CCCCC2)cn1 245316761 KOOBHURFQHPOJW-OKZBNKHCSA-N 303.450 3.102 0 40 DGAB CC[C@@H](C)n1ccc(NCc2cc(C(F)(F)F)nn2C)n1 256054153 VDGMHIWQZJNDPR-SECBINFHSA-N 301.316 3.219 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)Cc3ccc(C)s3)CC[C@@]2(C)C1 257275109 NNYBTNBAQWVLOP-UNEWFSDZSA-N 307.459 3.405 0 40 DGAB CCOc1ccccc1CN1CCC2(CC1)OCCC[C@@H]2OC 257267321 MGUBIETZPCDYFH-SFHVURJKSA-N 319.445 3.245 0 40 DGAB CN(C)c1ccnc(NC(=O)N2CCC[C@@H]2CC2CCCC2)n1 654029268 ORQUMWMWUGONNZ-CQSZACIVSA-N 317.437 3.119 0 40 DGAB Cc1csc([C@@H](C)NC(=O)N[C@H](C)c2nc(C)cs2)n1 69218683 FRQPSKCXABOZDM-NXEZZACHSA-N 310.448 3.338 0 40 DGAB Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4cccs4)C[C@H]32)nc1 72392555 RQSICBKXOFXBLZ-LESCRADOSA-N 314.454 3.181 0 40 DGAB Cc1cc(CN(C)C(=O)Nc2ccccc2N2CCCC2)no1 43456473 PYYURMODGUTAKN-UHFFFAOYSA-N 314.389 3.247 0 40 DGAB O=c1/c(=C\c2cccc(Cl)c2)sc2nc3ccccc3n12 5125935 YUGGAQMINVHYSZ-NTEUORMPSA-N 312.781 3.110 0 40 DGAB CCOC(=O)/C(=C/c1ccoc1)P(=O)(OCC)OCC 5828109 ZMMVOHZJUKQVCA-XFXZXTDPSA-N 302.263 3.450 0 40 DGAB Cc1ccc(-c2nnc([C@@H]3CCCN3Cc3ccncc3)o2)cn1 19215108 YFYGCCGQCPMSJV-INIZCTEOSA-N 321.384 3.172 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@](C)=O)cc1 205556102 HKCPXWRWRYTHDG-HOIFWPIMSA-N 313.422 3.475 0 40 DGAB O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)c1ccc[nH]1 4979531 GAMPERRPZLFNFM-UHFFFAOYSA-N 320.348 3.091 0 40 DGAB O=C(NCc1ccccn1)c1csc(-c2ccsc2)n1 7847944 JBRYAXJOWPXHHU-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB C[C@@H]1CN(Cn2nc(-c3cccs3)oc2=S)C[C@@H](C)O1 21318445 QRRDFPPVPLZBDE-NXEZZACHSA-N 311.432 3.001 0 40 DGAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)c1cccs1 252537765 MGPYJRDYWYEFIG-JOCQHMNTSA-N 302.399 3.263 0 40 DGAB CCC(=O)Nc1nonc1-c1nc2ccccc2n1CC(C)C 54411 RBUXVFANAZTJEB-UHFFFAOYSA-N 313.361 3.091 0 40 DGAB OCc1c(CO)c(-c2ccc(Cl)c(Cl)c2)n2c1CCC2 1559621 OUCHYDPQVVKNMQ-UHFFFAOYSA-N 312.196 3.393 0 40 DGAB CC(C)(C)OC(=O)[C@H](CCCCCCCCCN)C(=O)O 71791303 NCCBPQJYRKFTJR-CYBMUJFWSA-N 301.427 3.108 0 40 DGAB Cc1ccc(SCCNc2cncc(-n3cccn3)n2)cc1 76515278 YSFBVMIRALWEFN-UHFFFAOYSA-N 311.414 3.175 0 40 DGAB Cc1ccc(S(=O)(=O)n2cnc3ccc(Cl)cc32)cc1 214451172 KQUIYJPNKXPSDL-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C)cc2NC1=O 40023835 WJWALXCSBJUAEW-NTZNESFSSA-N 317.389 3.106 0 40 DGAB O=C(C[C@H]1CSc2ccccc2NC1=O)Nc1ccccc1 20031554 JQROSJPTTJLFDJ-LBPRGKRZSA-N 312.394 3.376 0 40 DGAB COc1ccc(NC(=O)N(Cc2ccc(C)o2)C2CC2)cn1 40151146 OXFRZRJQMDHKLP-UHFFFAOYSA-N 301.346 3.188 0 40 DGAB O=C1C[C@@H](C(=O)N2CCCCc3ccccc32)c2ccccc2N1 40133955 DFPGAVJEIZMCSS-MRXNPFEDSA-N 320.392 3.482 0 40 DGAB CCOC(=O)c1ccoc1COc1ccc(-c2nnco2)cc1 32667644 VQKFUUQCVILIEQ-UHFFFAOYSA-N 314.297 3.085 0 40 DGAB Cc1ccccc1Oc1cc(-n2ncc3c2CCCC3=O)ncn1 385173 NBRLQKCSZSDIGJ-UHFFFAOYSA-N 320.352 3.282 0 40 DGAB CCCN1CCC(NC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)CC1 53371387 XPLAMQGZVKHODZ-YOEHRIQHSA-N 318.461 3.326 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1C 44756 NGRJISQBFRBTQA-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3ccccc3C)oc2c1 557598 IVQRFNMAFFITOH-UHFFFAOYSA-N 309.325 3.347 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C 78942506 HRVIXERKYSACMM-OSRDXIQISA-N 306.406 3.186 0 40 DGAB COc1ccc(C)cc1NC(=O)CNc1ccc(C(C)=O)cc1 3427253 NVSXZOFPKTXGBN-UHFFFAOYSA-N 312.369 3.257 0 40 DGAB CC[C@H](C)[C@H](CC)C(=O)NC(=O)NC(=O)[C@H](CC)[C@H](C)CC 4705916 MIVQLJVKKVNMRL-KPWCQOOUSA-N 312.454 3.483 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1ccc(O)cc1 6747812 XHCBLQLRBBEYPX-QGZVFWFLSA-N 323.327 3.096 0 40 DGAB COC(=O)CCCNC(=O)/C=C/c1ccc(Cl)cc1Cl 7594989 PFQNSTKUUKEEPK-FNORWQNLSA-N 316.184 3.076 0 40 DGAB C[C@H](NC(=O)NC1CCC(O)CC1)c1ccc(F)c(Cl)c1 55089641 ZSVZSGHKESBCPM-GCVQQVDUSA-N 314.788 3.143 0 40 DGAB O=C(N[C@H]1CCc2c(F)cccc21)c1cc2ccccc2c(=O)[nH]1 56325506 TXQTVZBTFKVBBM-INIZCTEOSA-N 322.339 3.085 0 40 DGAB COc1ccc(-c2noc(COc3ccccc3C=O)n2)cc1 22120723 UIPZUKWJUORQDJ-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 12550411 KXQDNLGZZHFSFA-GOSISDBHSA-N 323.371 3.008 0 40 DGAB CCCCc1noc(CNc2cc(C(=O)NCC)ccc2C)n1 58156650 NKQUHCCBWGHWOF-UHFFFAOYSA-N 316.405 3.082 0 40 DGAB Cc1cccc(C)c1NC(=O)C[C@@H]1Nc2ccccc2NC1=O 44842050 IFILCLOJKXFVBR-HNNXBMFYSA-N 309.369 3.065 0 40 DGAB Cc1ccc2oc(C(=O)c3cc(C(=O)N(C)C)cs3)cc2n1 95350171 DHIWQIWKGPJGGA-UHFFFAOYSA-N 314.366 3.131 0 40 DGAB O=C(Nc1cccc(N2CCOCC2)c1)c1cc2ccccc2[nH]1 58222916 YRJBZLJGCOHNOM-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB O=C(c1n[nH]c2c1CCC2)N1CCC[C@@H]1c1ccc(F)c(F)c1 95396169 GXSHWXYPBJLCHQ-OAHLLOKOSA-N 317.339 3.154 0 40 DGAB CCC(=O)N1CCCC[C@H]1C(=O)Nc1ccc2[nH]c(C)cc2c1 58244646 OZLRNFOWRRPOEU-INIZCTEOSA-N 313.401 3.206 0 40 DGAB O=C(CC1CCCC1)Nc1ccccc1OCCn1ccnc1 58363774 QHBBKVGLOYOVAX-UHFFFAOYSA-N 313.401 3.481 0 40 DGAB Cc1ccc(-c2noc(COC(=O)c3ccc(C)c(O)c3)n2)cc1 10981040 UXIVQDSVBAZVGC-UHFFFAOYSA-N 324.336 3.416 0 40 DGAB CCOC(=O)c1ccc(C(=O)c2ccc(CN3CCC3)cc2)cc1 2514611 JISOZSOOIDDZIO-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB CCCCS(=O)(=O)NCCOc1ccc(C(C)(C)C)cc1 59985543 NSOCEJMDJZYOIT-UHFFFAOYSA-N 313.463 3.082 0 40 DGAB Cc1ccc(C)c(SCC(=O)NC(=O)NCCC(C)C)c1 3499241 MVFUXPFVZRUFNP-UHFFFAOYSA-N 308.447 3.267 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1Cc1ncc(-c2ccccc2)o1 9048865 PNFDRUGZOJBNLJ-UHFFFAOYSA-N 310.353 3.161 0 40 DGAB Cc1cccc(CN2CCN(C(=O)NCc3ccccc3)CC2)c1 12927249 SFVYHPLCDSAFMT-UHFFFAOYSA-N 323.440 3.022 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)cc2F)c1 6235851 CJIANIVHUQWSSA-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB CNC(=O)c1ccc(NC(=O)N[C@H](C)c2cc(C)oc2C)cc1 65359027 KOMYVXFZFMHZCR-LLVKDONJSA-N 315.373 3.139 0 40 DGAB C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccncc1 6571663 UQOSZHITIGWBEW-AWEZNQCLSA-N 312.413 3.463 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1n[nH]c(=O)c2ccccc12 9365929 VGDSSMLXYWCJOQ-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB CNC(=O)CC1CCN(C(=O)Nc2c(C)cccc2Cl)CC1 97095219 UQRYMUCPTIEOBO-UHFFFAOYSA-N 323.824 3.028 0 40 DGAB Cc1ccsc1C(=O)NCc1ccc2c(c1)OCCCO2 66549838 ZECUPEUWTHIIQG-UHFFFAOYSA-N 303.383 3.148 0 40 DGAB CCSc1ncc(Cl)c(C(=O)NCc2ccc(C)cc2)n1 6810456 LDABKJOWDFTMGR-UHFFFAOYSA-N 321.833 3.480 0 40 DGAB C[C@H](Oc1ccccc1F)C(=O)Nc1ccc2c(c1)OCCO2 5860026 ACBOWHGBDZWMLH-NSHDSACASA-N 317.316 3.003 0 40 DGAB COc1cccc(CNC(=O)COc2ccc(Cl)cc2)c1 6944233 OOSJECBHJJMFIS-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB CC[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 20036780 JKCKFXLCHLIFGA-MRXNPFEDSA-N 307.390 3.396 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cn1 71797349 SLDPNOQNTLVDSG-INIZCTEOSA-N 308.385 3.412 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2C(=O)CCc2ccsc2)n1 71870053 GQYQQGINCFAIBW-MRXNPFEDSA-N 317.458 3.185 0 40 DGAB CCCC(=O)Nc1nc2ccccc2n1CCN(CC)CC 28227820 GIZKJSFAZZOQIN-UHFFFAOYSA-N 302.422 3.117 0 40 DGAB CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1cc[nH]n1 68773815 HYPNVBBYZYXVQF-UHFFFAOYSA-N 302.334 3.009 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc(Cl)o2)c1 71865816 RERGALQFSXMIPK-GFCCVEGCSA-N 307.781 3.133 0 40 DGAB COc1ccc(NC(=O)c2c(C)nn(-c3ccccc3)c2C)cn1 8077942 BDONEZOEXIHMTI-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1nnsc1C(=O)NC(c1ccccc1)c1ccccc1 8315827 ZITMZVQQUYCUKI-UHFFFAOYSA-N 309.394 3.366 0 40 DGAB c1ccc(-c2cn(C3CCN(Cc4ccoc4)CC3)nn2)cc1 82039355 KNYHSOIUSJDQOG-UHFFFAOYSA-N 308.385 3.375 0 40 DGAB Cc1nnc(SC/C=C\CSc2nnc(C)s2)s1 17117972 WXZQBCLREPCOFI-ARJAWSKDSA-N 316.502 3.447 0 40 DGAB CCc1nc(CN2CC[C@@H](CNc3cccc(C)n3)C2)cs1 97200928 JXWFPTKTCGOMLK-AWEZNQCLSA-N 316.474 3.343 0 40 DGAB CC[C@@H](Nc1nccn2cnnc12)c1ccccc1OC(F)F 95404333 CSNAALHGWCHBSV-LLVKDONJSA-N 319.315 3.289 0 40 DGAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NC(=O)Nc1cccnc1Cl 98015830 BTDLMSAMIKCIJP-JLLWLGSASA-N 309.797 3.060 0 40 DGAB O=C(c1ccc2[nH]c(=S)oc2c1)N1CCCO[C@H]2CCC[C@@H]21 73768525 RIUAYJHJTFINDY-STQMWFEESA-N 318.398 3.274 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CC[C@@H](N3CCCC3)C2)c(C)s1 89582352 NXLSNWPXICPBOX-DZGCQCFKSA-N 321.490 3.306 0 40 DGAB CC(C)Oc1c(Cl)cccc1NCC(=O)NCC(F)(F)F 75141013 NUGSUJUQRYULLM-UHFFFAOYSA-N 324.730 3.218 0 40 DGAB CC(C)(C)SCC(=O)N1CCC[C@@H]1C[C@@H](O)c1ccco1 89694451 SMISFYZMZICPTR-CHWSQXEVSA-N 311.447 3.226 0 40 DGAB Cc1cnc([C@H](NC(=O)[C@H](C)N2CCCCCC2)C2CC2)s1 89702368 IKSKXXFNHVIDTF-DZGCQCFKSA-N 321.490 3.283 0 40 DGAB C[C@H](SCc1cccc(C(N)=O)c1)c1nc(C2CC2)no1 89913636 AESILNBNJQMGSA-VIFPVBQESA-N 303.387 3.040 0 40 DGAB COC(=O)C12CCC(CNC(=O)OCc3ccccc3)(CC1)C2 306145641 LNUVLBZCEDXOCV-UHFFFAOYSA-N 317.385 3.036 0 40 DGAB Cc1nc(C2CC2)ccc1C(=O)N(C)CCc1ccccc1O 516147615 MGWXYJXOJQOSBW-UHFFFAOYSA-N 310.397 3.288 0 40 DGAB Cc1ccccc1N(C(=O)c1cnc2c(c1)ncn2C)C(C)C 121109480 CAXRJROEWJSWKZ-UHFFFAOYSA-N 308.385 3.332 0 40 DGAB CSCC(=O)[C@H](Cc1ccccc1)NC(=O)OC(C)(C)C 36040124 UVFMZIIHDVJTFO-ZDUSSCGKSA-N 309.431 3.055 0 40 DGAB CCN(CC)c1cccc(OCc2nc(-c3cccnc3)n[nH]2)c1 34925897 OZZVXRSOFHHPLU-UHFFFAOYSA-N 323.400 3.292 0 40 DGAB CC[C@@H](C)NC(=O)c1ccn(COc2ccccc2Cl)n1 32648078 XAJQOBQDQHENQX-LLVKDONJSA-N 307.781 3.101 0 40 DGAB CC(=O)N(Cc1ccc(F)cc1)c1ccc(CC(=O)O)cc1 32185718 QIFVASFSMDSDAT-UHFFFAOYSA-N 301.317 3.006 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1ccc2c(c1)CCC2 32501723 PIPPPWAVUGONAD-UHFFFAOYSA-N 308.790 3.025 0 40 DGAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1 78403847 MKSUNJPKZOINIC-ZDUSSCGKSA-N 316.426 3.461 0 40 DGAB O=C(Cc1ccon1)N(Cc1ccco1)c1cccc(F)c1 73548764 MGJXAJWPAUQOMC-UHFFFAOYSA-N 300.289 3.183 0 40 DGAB O=C(NCc1cccc(F)c1)C1(c2ccccc2)CCOCC1 41813585 CWYQTGMYTWERNW-UHFFFAOYSA-N 313.372 3.190 0 40 DGAB COc1ccc(CN(C)C(=O)COc2ccc(C)c(C)c2)cc1 41104088 BKUXLXSCDBGYNN-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB O=C(NC[C@@H](O)c1csc2ccccc12)[C@@H]1CC=CCC1 225694073 IHJAVHBAWUJJFD-IUODEOHRSA-N 301.411 3.407 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccccc3Br)=NN[C@@H]2C1 228926692 CAAMJDRIIAZLLW-DGCLKSJQSA-N 321.218 3.130 0 40 DGAB Cc1nc(-c2ccc(NC(=O)CC3CCNCC3)cc2)cs1 237805236 JDOIGSJVVCJLKS-UHFFFAOYSA-N 315.442 3.447 0 40 DGAB Cc1ncc(/C=C/C(=O)O[C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)s1 96442501 HUXBWKPXEWNNPG-HGEYWWAUSA-N 307.415 3.212 0 40 DGAB CC[C@H](NCC(=O)Nc1ccncc1)c1ccc(F)cc1F 97230697 NLBYVDMCBNIPRA-HNNXBMFYSA-N 305.328 3.039 0 40 DGAB CC(C)n1nccc1C(=O)N1CC=C(c2ccc(O)cc2)CC1 332404148 AQWIHEBYPSZLFL-UHFFFAOYSA-N 311.385 3.099 0 40 DGAB CC1(C)C[C@H](NC(=O)Nc2ccc3c(c2)COC3)C(C)(C)O1 96496572 KGUWZBMDTPYVLO-AWEZNQCLSA-N 304.390 3.184 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)c3ccccc3O)C2)s1 96406929 JOVOQMYEEJLVHG-GFCCVEGCSA-N 302.399 3.177 0 40 DGAB O=C(c1ccc(Oc2ccccc2Cl)o1)N1CCOCC1 96183844 DGGKSDCROHBVDR-UHFFFAOYSA-N 307.733 3.198 0 40 DGAB O[C@@H](CN(Cc1ccccc1)c1ncccn1)c1ccsc1 96483175 FAKZHYLVFAGZJK-INIZCTEOSA-N 311.410 3.278 0 40 DGAB COc1ccc2oc([C@@H](C)N[C@H](C)C(=O)NC3CC3)c(C)c2c1 97374479 QUEWSFOEFWUZBN-VXGBXAGGSA-N 316.401 3.068 0 40 DGAB CCc1nc2c(s1)[C@@H](N[C@@H](C)Cc1cc(C)[nH]n1)CCC2 90534092 XHLYUMYGRUSXFL-GWCFXTLKSA-N 304.463 3.335 0 40 DGAB CC(C)(C)c1cc(=O)n(C[C@H](O)c2ccc(Cl)c(F)c2)cn1 585085127 GJUGMTBWIUXMKG-ZDUSSCGKSA-N 324.783 3.067 0 40 DGAB Cc1ccc(OC[C@H](O)CN[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 245240031 JZLKIRNVVWNSLK-RDHIYWLCSA-N 303.446 3.149 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(Cc3c(C)nc4sccn34)C2)n1 257260311 LCHDOCNWINRCCQ-CYBMUJFWSA-N 315.446 3.115 0 40 DGAB C[C@@H]1CC[C@@H](NCCCc2nnc3n2CCCCC3)C[C@H]1C 253370227 NZESBEXDLJZPLV-BZUAXINKSA-N 304.482 3.351 0 40 DGAB Clc1ncnc2c1ncn2-c1ccc(Br)cc1 95915795 XCQPGGUATDAKSB-UHFFFAOYSA-N 309.554 3.231 0 40 DGAB Cc1cncc(CCNC(=O)Nc2ccc(F)c(C3CC3)c2)n1 585101450 RCUPHGDZDRZOHX-UHFFFAOYSA-N 314.364 3.166 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(C)o2)cs1 80819622 UJSFKECXHAAJDN-NSHDSACASA-N 308.403 3.414 0 40 DGAB Cc1ccc(-c2n[nH]cc2CN2CCOC3(CCCC3)C2)o1 93588867 MKBAFABLUBBSRS-UHFFFAOYSA-N 301.390 3.123 0 40 DGAB CC[C@H](NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(C)cc1 169294121 FPVOCSBUPCPYRH-XAJHFOFHSA-N 313.397 3.085 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2cc(C)ccc2C)cn1 6252728 GXVJJQQILFTTEH-UHFFFAOYSA-N 312.369 3.309 0 40 DGAB Cc1cnc(N(C)[C@H]2CCCN(c3nccc4occc34)C2)nc1 1888890377 GOZDECWDCVLPAE-AWEZNQCLSA-N 323.400 3.031 0 40 DGAB FC(F)(F)c1cc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)ccn1 1889074436 JRFSXICQDBIPDY-RYUDHWBXSA-N 311.351 3.021 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2ccc(Br)o2)cn1 32914752 YLJURYFXYPPUQV-UHFFFAOYSA-N 309.163 3.018 0 40 DGAB Cc1ccnc(NC(=O)Cc2cc(-c3ccccc3F)on2)c1 23127212 YLNJEHOAXOUESA-UHFFFAOYSA-N 311.316 3.365 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2cccc(F)c2)o1 38932153 POEZHPZUSCPBFU-UHFFFAOYSA-N 315.279 3.196 0 40 DGAB C[C@@]1(CC(=O)Nc2ccccc2)NN=C(c2ccccc2)S1 35017 DVLLRPBJIFGJJJ-QGZVFWFLSA-N 311.410 3.430 0 40 DGAB Cc1ccc(OCCCCNC(=O)c2scnc2C)cc1 40122452 QGOXYWRJKQHDAT-UHFFFAOYSA-N 304.415 3.349 0 40 DGAB C[C@@H](NC(=O)c1cc(-c2cccnc2)on1)c1ccccc1F 40544228 RLPFKOWTDXQVTL-LLVKDONJSA-N 311.316 3.367 0 40 DGAB C[C@@H](SC(F)(F)F)C(=O)Nc1ccccc1CN(C)C 40514139 QSXBLLIJUIHHOE-SECBINFHSA-N 306.353 3.328 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)Nc1ccccc1C(N)=O 32741525 YFJFYFHDUXKRIS-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB O=C(Nc1nc[nH]n1)c1ccc(SCc2ccccc2)cc1 52555785 JVIJJZZJJSFADN-UHFFFAOYSA-N 310.382 3.349 0 40 DGAB COc1cccc(NC(=O)Cc2ccc(-n3cccn3)cc2)c1 32930964 LYDLJALYXAKYQC-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB Cc1ccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)cc1C 22027921 PPKQEZQWHWVVEL-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB C[C@@H]1C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)C1=O 35095 WZMCHFHHRACTST-UFBFGSQYSA-N 311.175 3.278 0 40 DGAB COc1cccc(C(=O)Oc2ccc3oc(=O)sc3c2)c1 114738 RAHONIWODAAIIE-UHFFFAOYSA-N 302.307 3.082 0 40 DGAB Cc1cc(OCC(=O)Nc2ccccc2CO)ccc1Cl 455219 WRHXVSJKADVOMI-UHFFFAOYSA-N 305.761 3.158 0 40 DGAB CCCc1nnc(NC(=O)Cc2c(F)cccc2Cl)s1 815538 OGJZYNIXJUNTLC-UHFFFAOYSA-N 313.785 3.464 0 40 DGAB COc1ccc([C@@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 816186 UZKCEWUQUCMZND-ZDUSSCGKSA-N 313.353 3.187 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc3nc(C)oc3c2)cc1 1709572 VIHIDUAMEJNBTF-UHFFFAOYSA-N 302.355 3.245 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3cc(OC)ccc23)cc1 2130929 HPRAALMCZOKGGA-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic C[C@H]1Cc2ccccc2N1CC(=O)NCc1ccccc1Cl 2623581 JRWKPTKVZSGESL-ZDUSSCGKSA-N 314.816 3.407 0 40 DGAB CCOC(=O)c1ccsc1NC(=S)NCc1ccccc1 2653789 RCFNRRYXWVSWEJ-UHFFFAOYSA-N 320.439 3.411 0 40 DGAB CC(C)Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)cc2)n1 2746274 YCEIMLQUTBJAKW-UHFFFAOYSA-N 324.837 3.387 0 40 DGAB Cc1ccc(C2=N/C(=C/c3ccc(C(=O)O)cc3)C(=O)O2)cc1 3321889 IJBDCUUMAVACQJ-XNTDXEJSSA-N 307.305 3.038 0 40 DGAB C/C=C/c1ccc(OCC(=O)NCc2ccccc2)c(OC)c1 3404675 TYMHSPDVJNRNAN-XVNBXDOJSA-N 311.381 3.424 0 40 DGAB Cc1cc(=O)[nH]c2nnc(SCc3cccc4ccccc34)n12 4249972 NOMLDWPQHIOBKN-UHFFFAOYSA-N 322.393 3.172 0 40 DGAB O=C(O)C1=C[C@@H](c2ccc(F)cc2)n2c(nc3ccccc32)N1 4635561 RTUNNTLFYHJKAN-HNNXBMFYSA-N 309.300 3.159 0 40 DGAB COC(=O)[C@@]1(C)CCc2c(ccc3c2CCCC3)[C@H]1CC(=O)O 4721424 HKCZEVZPAZQRCP-APWZRJJASA-N 316.397 3.249 0 40 DGAB COc1cccc(OCC(=O)NC23CC4CC(CC(C4)C2)C3)c1 4783759 TUBPJPGLVPBAOX-UHFFFAOYSA-N 315.413 3.159 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2cc(C)sc2C)cn1 5062351 KVOPQNAJPOUDDG-UHFFFAOYSA-N 318.398 3.370 0 40 DGAB C[C@@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1 5208975 VNRTYZZOOJRRDI-GFCCVEGCSA-N 309.325 3.143 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1C[C@@H](O)[C@@H]1[C@H]2C(=O)C[C@@]2(C)CCC[C@H]12 5276547 OWSDKGMPDGHRFF-DDRDRVRXSA-N 304.430 3.138 0 40 DGAB CCOc1ccc(C(=O)C[C@H](NC2CCCCC2)C(=O)O)cc1 5336382 CTZFYCNJLJYWDB-INIZCTEOSA-N 319.401 3.034 0 40 DGAB CC(=O)Nc1cccc(Oc2nc3ccccc3n3cnnc23)c1 5427423 ALGRRYLZSQZYBL-UHFFFAOYSA-N 319.324 3.028 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)Oc2ccc(C(C)=O)cc2)c1 5654345 GQMSZRFANNCRMN-CYBMUJFWSA-N 313.353 3.304 0 40 DGAB CCOC(=O)[C@H](CC)Oc1cc2c(C)cc(=O)oc2cc1C 6554850 OMSORFDZKSEKLH-ZDUSSCGKSA-N 304.342 3.130 0 40 DGAB C[C@@H](Sc1nncs1)C(=O)Nc1ccc(F)c(F)c1F 6862104 IMLBOYFIXOULDJ-RXMQYKEDSA-N 319.333 3.075 0 40 DGAB Cc1ccc(C)c(-n2ccnc2S[C@H](C)C(=O)N(C)C)c1 6933914 VQQPXHOKSFQLRS-CYBMUJFWSA-N 303.431 3.058 0 40 DGAB CCN(C[C@@H](O)COCc1ccc(OC)cc1)C1CCCCC1 6939120 DGBHBMJXLFYWPU-GOSISDBHSA-N 321.461 3.227 0 40 DGAB C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)c1c[nH]c2ccccc12 7429898 VOZAFRPAAAHOON-GFCCVEGCSA-N 323.348 3.088 0 40 DGAB COc1cccc(CCC(=O)Nc2ncc(C)s2)c1OC 9114425 XMUBLKNOECJOES-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB O=C(CC1CCCC1)Nc1cccc(-c2nnnn2C2CC2)c1 9709727 FOMOYXWLAQIHHG-UHFFFAOYSA-N 311.389 3.194 0 40 DGAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@H]1c1ccccc1 9895829 KLLBKMSEKFXJNI-QAPCUYQASA-N 322.408 3.169 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCCCCC1)C2 9970750 PIWZUYGSMGBKSL-MTNOOBJLSA-N 309.494 3.455 0 40 DGAB Cc1ccnc(NC(=O)NCCCSc2ccc(F)cc2)n1 10220862 AIFFYYAOGQUWHU-UHFFFAOYSA-N 320.393 3.228 0 40 DGAB O=C(CCc1ccccc1)NCCc1ccc(-n2cccn2)cc1 10222060 JFXMLQRYQLCXMW-UHFFFAOYSA-N 319.408 3.164 0 40 DGAB Cc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1 11147259 WPYUTTUBISPVTJ-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccc(OC)cc3)CC2)cc1 11899274 OPGDMXWUXZQFTL-UHFFFAOYSA-N 311.381 3.165 0 40 DGAB CC(C)NC(=O)Cn1cccc2cc(-c3ccc(F)cc3)nc1-2 12220235 CKMMCRUDSRGZIK-UHFFFAOYSA-N 311.360 3.319 0 40 DGAB COc1ccc(-c2noc(-c3cc(C4CC4)[nH]n3)n2)c(OC)c1 12415139 UQKPVADSEOSRPZ-UHFFFAOYSA-N 312.329 3.021 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)CCc1ccccc1)c1ccccc1 12532225 NDVLCCJMIOKITB-IBGZPJMESA-N 319.408 3.259 0 40 DGAB C[C@H](OC[C@H](O)CNCc1ccco1)c1ccc(Cl)cc1 12568477 KLNOGOPYBVDDRJ-SWLSCSKDSA-N 309.793 3.161 0 40 DGAB Cc1cccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1C 13007777 GCPKWGNCMIQHDO-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB COc1ccc(CNC(=O)CCOc2ccc(C)c(C)c2)cc1 13015790 DVQVGBFZRYZARI-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB COC(=O)Nc1nc2cc([C@](C)(O)c3cccs3)ccc2[nH]1 13212466 LUSWRDXNXBSGPI-HNNXBMFYSA-N 317.370 3.059 0 40 DGAB O=C1NC(=O)/C(=C/c2ccc(-c3cccc(Cl)c3Cl)o2)N1 13942636 GGYNWOCLDQZZJX-POHAHGRESA-N 323.135 3.434 0 40 DGAB COc1ccccc1CN(Cc1ccoc1)C[C@@H]1CCCO1 13995134 XLTHZTSCZMLYBL-KRWDZBQOSA-N 301.386 3.469 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14117638 XODDFPKWXOMQQH-ONGXEEELSA-N 309.291 3.486 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2N1 14260653 AZFWGRYCANMTHQ-NSHDSACASA-N 320.270 3.168 0 40 DGAB CN(C)c1ncc(CN[C@@H]2[C@H]3CCC[C@@H]3[C@H]2c2ccccc2)cn1 19585566 NISXXCWSZBUJAB-INDMIFKZSA-N 322.456 3.215 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3cc(C)ccc3C)n2)cc1 19910693 DGMYYOJMRFGSAN-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1csc(CNC(=O)c2ccc(COC(C)C)cc2)n1 21022037 GRRKZMUVPFAZBZ-UHFFFAOYSA-N 304.415 3.307 0 40 DGAB O=C(Nc1ccccc1F)c1cn2c3c(cccc3c1=O)CCC2 22235223 NUXYDFZNDIQKJR-UHFFFAOYSA-N 322.339 3.339 0 40 DGAB CC(=C\c1ccccc1)/C=C1/SC(=O)N(CCC(=O)O)C1=O 27229262 OMMDOWQBLAXFBP-HOJJKJLFSA-N 317.366 3.144 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)CCn3cc(Cl)cn3)sc2C1 28227850 IQBHBVBEXHNTTN-SECBINFHSA-N 324.837 3.147 0 40 DGAB Cc1ccc2c(c1)c(C)c(C)n2C[C@@H](O)CNC1CCCC1 28297055 BTCPRWRCAYLSNL-KRWDZBQOSA-N 300.446 3.460 0 40 DGAB C[C@@H](CNC(=O)CCc1nc2ccccc2[nH]1)c1ccccc1 28794025 IGUMCSBMGHAPFJ-AWEZNQCLSA-N 307.397 3.415 0 40 DGAB O=C(NCc1cccnc1)c1cc(-c2ccc(Cl)cc2)[nH]n1 29893352 IKVSQPAYLTXPFT-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB CC(=O)c1ccc(OC[C@@H](O)CNc2ccc(Cl)cc2)cc1 32593322 FAQQCUOUVVWYPA-INIZCTEOSA-N 319.788 3.394 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N1CCCCC1 32975205 CPCFLZCBZMNZGM-OAHLLOKOSA-N 322.836 3.107 0 40 DGAB CC(C)[C@H](NC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(=O)O 33450829 SHLOYHQTLXYXHM-KXKDPZRNSA-N 303.402 3.223 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)N[C@@H](C)c2cccs2)n1 40120699 PKVZSAQTDGAPTB-FZMZJTMJSA-N 320.462 3.258 0 40 DGAB C[C@@H](NC(=O)COCCOc1ccccc1)c1ccccc1F 40130385 NQDGGKIQIHXHRV-CQSZACIVSA-N 317.360 3.099 0 40 DGAB O=C1N=C(O)[C@@H]2C3c4ccccc4C(Cl)(c4ccccc43)[C@@H]12 40402096 SOINPWLBNFOAHL-NWPKHEMWSA-N 309.752 3.357 0 40 DGAB O=C(Nc1cccnc1)c1ccc(OCc2cccnc2)cc1 40498508 GWHWZWGALFHJMW-UHFFFAOYSA-N 305.337 3.308 0 40 DGAB COc1cc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(C)cc1C 41095230 OWIJHLHATXVQMF-FZMZJTMJSA-N 311.447 3.169 0 40 DGAB Cc1ccc(CNCc2ccc(-n3ccnc3C)nc2)c(C)c1 48782320 NQZFXFPFLUDNLG-UHFFFAOYSA-N 306.413 3.482 0 40 DGAB O=C(c1cccnc1Nc1cccc(F)c1)N1CCSCC1 53819259 NYDTWOMSYXTHEG-UHFFFAOYSA-N 317.389 3.153 0 40 DGAB COc1ccccc1C[C@H](C)NC(=O)c1c(C)noc1C(C)C 55665944 JAHOMFPHFUZDKL-LBPRGKRZSA-N 316.401 3.476 0 40 DGAB CC[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1cccs1 56354727 HOUAEMTZSUIZIV-GFCCVEGCSA-N 318.398 3.427 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)c(C)c1 65606826 KQADWRUHEUVENK-CHWSQXEVSA-N 320.458 3.350 0 40 DGAB C[C@H](Nc1cccc(N2CCCCC2)c1)C(=O)NC(C)(C)C 66389882 LLNQZPIDHGGWEH-AWEZNQCLSA-N 303.450 3.392 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)N1CCCC[C@H]1C1OCCO1 69619953 TXQIJEPSIXRGCF-AWEZNQCLSA-N 324.808 3.408 0 40 DGAB CC(C)c1nc(CCNC(=O)COc2ccccc2)cs1 69653445 WNVSRNJGQUGCDU-UHFFFAOYSA-N 304.415 3.004 0 40 DGAB O=C(c1nccc2ccccc12)N1CCCC[C@H]1Cn1cccn1 69971479 XCXVJUITUJUARL-INIZCTEOSA-N 320.396 3.126 0 40 DGAB CC(C)[C@@H]1CN(C(=O)CCc2cccnc2)c2ccccc2N1 78994626 HLUXUMWJFDSHSL-KRWDZBQOSA-N 309.413 3.498 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1 79762057 QWBDBTSRRWQFPY-QAPCUYQASA-N 315.486 3.486 0 40 DGAB CCCN(C)C[C@@H]1CCN(C(=O)c2cc3ccccc3o2)C1 81361419 GBYLNCLMRJENJA-AWEZNQCLSA-N 300.402 3.237 0 40 DGAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)[C@@H]1CC=CCC1 84519344 JFZCBCLPZJQQJH-SJORKVTESA-N 313.397 3.250 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)o1)[C@H]1C[C@H]1c1ccco1 84563016 YADDZJLRYNPRNQ-KGLIPLIRSA-N 308.337 3.355 0 40 DGAB CCc1nc2sc(C(=O)N(C)C)c(N)c2c2c1CCCC2 85565110 DEDVPRZKDKEUDK-UHFFFAOYSA-N 303.431 3.022 0 40 DGAB CCn1c([C@@H]2CCCN2c2ccnc(C)n2)nc2ccccc21 88736427 ZKDZHIYABIGTPI-INIZCTEOSA-N 307.401 3.496 0 40 DGAB Cc1nc(-c2cc3c(s2)CCN(C(=O)C2CC2)C3)cs1 89359791 UNQQKUKCXNNSRM-UHFFFAOYSA-N 304.440 3.475 0 40 DGAB Cc1cc(CC(=O)Nc2cc(-c3ccc(Cl)s3)[nH]n2)n[nH]1 95441608 JCSUXSRPMDEKCA-UHFFFAOYSA-N 321.793 3.004 0 40 DGAB O=C(NCc1cccc(=O)[nH]1)Nc1cc(Cl)ccc1Cl 95462237 QTYHDUFDCFTPQQ-UHFFFAOYSA-N 312.156 3.003 0 40 DGAB c1ccc([C@H](NC[C@H]2Cc3ccccc3O2)c2ncc[nH]2)cc1 95940773 WFCUGHPFOVJXRS-AEFFLSMTSA-N 305.381 3.092 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N(C)c1cnc2ccccc2c1 95986903 MCSDAIQKKCAJHE-UHFFFAOYSA-N 314.385 3.177 0 40 DGAB OCC1CCN(c2ccc(N[C@H]3CCc4ccccc43)nc2)CC1 95991583 TUSPAYDZTQCNQB-IBGZPJMESA-N 323.440 3.390 0 40 DGAB O=C(CCN1CCC[C@@H](N2CCCCC2)C1)c1ccccc1 95992495 ILPIIPFFROAIMD-GOSISDBHSA-N 300.446 3.210 0 40 DGAB O=c1[nH]c(C[C@H]2CCCCO2)nc2cc(C(F)(F)F)ccc12 95993725 LQXHQAICEVXLCB-SNVBAGLBSA-N 312.291 3.054 0 40 DGAB CO[C@@H]1CCCN(c2ccc(NC(=O)c3ccoc3)cc2)C1 96122494 VSMABIQQBNNSMZ-MRXNPFEDSA-N 300.358 3.147 0 40 DGAB FC(F)(F)c1cc(NC[C@@H]2CCOC2)nc(-c2ccncc2)n1 96429236 NVHFAVZMIQMAAR-JTQLQIEISA-N 324.306 3.006 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500303 QUQRITIVIMGXQK-ZETCQYMHSA-N 308.712 3.098 0 40 DGAB C[C@@H](CN1CCC(c2nncn2C)CC1)c1cccc(Cl)c1 97103882 PAWPYWBTANGCLN-ZDUSSCGKSA-N 318.852 3.452 0 40 DGAB Cc1nnc([C@H]2CCCN2c2ccnc(Cc3ccccc3)n2)o1 97145389 KYXKNWBMXZUYPF-OAHLLOKOSA-N 321.384 3.100 0 40 DGAB COc1cccc(N2C(=O)N[C@H]3C[C@@]2(C)Oc2ccccc23)c1 100807514 XLPXYYQWJCMIMP-MAUKXSAKSA-N 310.353 3.465 0 40 DGAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(Br)cc1F 127783973 CXUGOEDRMDKTOM-JBLDHEPKSA-N 314.198 3.176 0 40 DGAB CCc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)cc1 128621387 YNTUDYLWPOMWBE-UHFFFAOYSA-N 324.424 3.267 0 40 DGAB C[C@@H](O)[C@H]1CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 152939729 PVUVVQCAUNZKJA-BDAKNGLRSA-N 321.726 3.202 0 40 DGAB COCCc1ccc2oc(NCc3nc(C)cs3)nc2c1 195552233 JVALGWAHCUNICU-UHFFFAOYSA-N 303.387 3.394 0 40 DGAB C[Si](C)(C)c1cc(Br)cc2c1OC(F)(F)O2 195923945 LVCJDBXXCPSCSD-UHFFFAOYSA-N 309.182 3.316 0 40 DGAB CCc1nc2cc(C(=O)N3CCOc4ccccc43)ccc2n1C 225895029 QDSHIGUMWNLJTH-UHFFFAOYSA-N 321.380 3.175 0 40 DGAB COc1ccccc1C[C@@H]1CN(C(=O)OC(C)(C)C)CCC1=O 228909480 KOEAVIPKTHGVAC-CQSZACIVSA-N 319.401 3.064 0 40 DGAB COc1ccc(C(=O)N2CCC(Cc3ccnc(C)c3)CC2)cc1 257209811 BRYQBHORNGEEDC-UHFFFAOYSA-N 324.424 3.494 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2c(C)n(C)c3ccccc23)n1 257264605 LVFPHYYDIOOPQV-INIZCTEOSA-N 322.412 3.496 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccnc(-c3ncc(C)s3)c2)C1 257276582 NUJMGHBLRITERH-HNNXBMFYSA-N 315.442 3.315 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1cc(Cl)ccc1Br 379841142 BSHWRFXOUAQTAK-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB Cc1nc(SCC(=O)NC2CCCCC2)nc2c1CCCC2 408545982 BGFSHYUBPFDYOQ-UHFFFAOYSA-N 319.474 3.205 0 40 DGAB CCn1cc(C(=O)Nc2ccc(F)cc2)c(=O)c2ccccc21 408713371 VQKWRGOFKAJLOM-UHFFFAOYSA-N 310.328 3.413 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N1CCC(c2ccccc2F)CC1 526054413 BLFGXVKWYPSPJN-UHFFFAOYSA-N 315.392 3.114 0 40 DGAB Cc1ncccc1CNC(=O)Nc1cc(C)n([C@@H](C)C2CC2)n1 529055934 LXNWRUZWSMTHDJ-ZDUSSCGKSA-N 313.405 3.188 0 40 DGAB O=C(NC[C@H](c1ccsc1)n1cccn1)[C@@H]1CC=CCC1 575612438 AFTWOHJFDGNPMN-UKRRQHHQSA-N 301.415 3.007 0 40 DGAB CS(C)(=O)=Nc1cccc(NC(=O)CCc2ccccn2)c1 585087971 DVMGSQOBZCUBDA-UHFFFAOYSA-N 317.414 3.012 0 40 DGAB CNC(=O)[C@]1(Cc2ccc(-c3ccccc3)cc2)CCCCN1 953030387 LGMVZPUDISDHSC-HXUWFJFHSA-N 308.425 3.154 0 40 DGAB Cc1ccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc1F 1888906597 BPLVEWQIDPYCDA-UHFFFAOYSA-N 310.332 3.307 0 40 DGAB Cc1nnc(NC(=O)COc2ccccc2C(C)(C)C)s1 141525 NYTNJRJAQJNVDO-UHFFFAOYSA-N 305.403 3.162 0 40 DGAB C[C@H]1CCc2c(sc(NC(=O)c3cccs3)c2C(N)=O)C1 477906 NQYANBYKISESBT-QMMMGPOBSA-N 320.439 3.286 0 40 DGAB Cc1ccc(Nc2nc(C(=O)NC[C@@H]3CCCO3)cs2)cc1 819395 SSSQCUFTXOHJPI-ZDUSSCGKSA-N 317.414 3.104 0 40 DGAB O=C(Cc1ncc(C(F)(F)F)cc1Cl)NC1CCCC1 1407168 DPCTWHCGAMOESM-UHFFFAOYSA-N 306.715 3.355 0 40 DGAB COc1cccc(-c2noc(C(=O)N[C@@H](C)c3ccccc3)n2)c1 1429936 VMBWIKVWNPJTBJ-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB CC(C)c1ccc(C[C@H](NC(=O)OC(C)(C)C)C(=O)O)cc1 2385572 DAHLPTAIXLYVQD-AWEZNQCLSA-N 307.390 3.330 0 40 DGAB CCOCCCNC(=O)c1c(-c2ccccc2Cl)noc1C 2729890 SMUQCUHZQDHIPO-UHFFFAOYSA-N 322.792 3.460 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(C)cc2)cc1 3153721 VBWAQQZHWMRYOM-ZDUSSCGKSA-N 305.399 3.043 0 40 DGAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccccc1O 4466252 WKEYOMYDAVWZBP-KAMYIIQDSA-N 316.426 3.125 0 40 DGAB CCc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1 4583727 CGTCERRDLUOSNN-UHFFFAOYSA-N 300.402 3.194 0 40 DGAB O=C(CCn1c(=O)sc2ccccc21)Nc1cccc(F)c1 5483786 AUSBAWQOVDEFQI-UHFFFAOYSA-N 316.357 3.231 0 40 DGAB CCOC(=O)[C@H]1Nc2ccc(O)cc2[C@H]2c3ccccc3C[C@H]12 5499741 VKIFYMRBLHCVQC-JQHSSLGASA-N 309.365 3.054 0 40 DGAB Cc1ccc(-n2ncc3c(=O)n(C4CCCCC4)cnc32)cc1 6755189 GRZFAEXMESGGKP-UHFFFAOYSA-N 308.385 3.396 0 40 DGAB O=C(CSc1nnc(NCc2ccco2)s1)c1ccc[nH]1 7161788 IUNWIFWGLFPRNC-UHFFFAOYSA-N 320.399 3.046 0 40 DGAB Clc1ccc(CSc2nnc(C3CCNCC3)o2)cc1 8039421 ONINEAOFOMJSGQ-UHFFFAOYSA-N 309.822 3.482 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCc1ccc(OC)cc1 8040883 JAENCPZDOKDIEZ-SFHVURJKSA-N 313.397 3.477 0 40 DGAB COc1ccccc1NCC(=O)NCc1cccc(Cl)c1 8131537 YEEBWOATXOSXJJ-UHFFFAOYSA-N 304.777 3.077 0 40 DGAB O=C(NCCc1ccco1)c1cc(C2CC2)nn1-c1ccccc1 8157302 WHVQJDVYRGCYGF-UHFFFAOYSA-N 321.380 3.315 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@@H]1CCCc2ccccc21 8281469 WQJWFZPBLNFOTA-OAHLLOKOSA-N 311.410 3.132 0 40 DGAB COc1ccc(-c2n[nH]c(SC[C@H]3CCCCO3)n2)cc1 8343300 GAPDSWLOMGQJOU-CYBMUJFWSA-N 305.403 3.142 0 40 DGAB Cc1cccc(-n2nnnc2SCc2nc3ccccc3[nH]2)c1 9113254 WWFBVEKWVUSPHB-UHFFFAOYSA-N 322.397 3.139 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Nc2ccc(Br)cc2)no1 9114800 HHASVLWMJKYQDM-SECBINFHSA-N 324.178 3.185 0 40 DGAB CCOc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Cl)c1O 9339273 DCYWFVAVBMEFAM-HNNXBMFYSA-N 318.760 3.298 0 40 DGAB CCCCc1nnc2sc(-c3cccc(N(C)C)c3)nn12 11278051 UHVHBEFTJZYKPD-UHFFFAOYSA-N 301.419 3.261 0 40 DGAB CC(C)C(=O)Nc1nonc1-c1ccc(Br)cc1 11917301 KOIOSMQTRSCWHG-UHFFFAOYSA-N 310.151 3.094 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)CCNC(=O)c2ccccc2)cc1 12892804 OTXOBCYICLFWKD-OAHLLOKOSA-N 324.424 3.246 0 40 DGAB CC(=O)c1cccc(NC(=O)C[C@H](C(=O)O)c2ccccc2)c1 13252508 LKQUXGQLZDQDJG-INIZCTEOSA-N 311.337 3.086 0 40 DGAB COC(=O)c1sccc1NC(=O)Nc1ccccc1OC 13323281 PJUPBOUTDLNOIR-UHFFFAOYSA-N 306.343 3.187 0 40 DGAB O=C1N=C(Nc2ccccn2)S[C@@H]1Cc1ccccc1Cl 13598589 MGMLJWRFAOCMIV-GFCCVEGCSA-N 317.801 3.388 0 40 DGAB Cc1ccc2nc(NC(=O)CSc3nncs3)sc2c1 14137292 FKGPVAATCQCRLP-UHFFFAOYSA-N 322.440 3.187 0 40 DGAB CN(CC12CC3CC(CC(C3)C1)C2)c1ncnc2c1cnn2C 14277640 HPTQOYOOTFHGLP-UHFFFAOYSA-N 311.433 3.016 0 40 DGAB CCCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2CC 14283728 WHAJEHUXUOWQNO-UHFFFAOYSA-N 308.385 3.258 0 40 DGAB O[C@@H](COc1ccccc1)Cn1c(C2CC2)nc2ccccc21 16903731 RYBSTDNVKPCKRS-OAHLLOKOSA-N 308.381 3.354 0 40 DGAB CN(C1CCCCC1)S(=O)(=O)Cc1ccc(Cl)cc1 20038509 SKGPDGRXQAGGNO-UHFFFAOYSA-N 301.839 3.434 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCCc3ccccn3)cs2)cc1 21774415 OBVSXHBDBPXINM-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CCC(CC)NC(=O)CCC(=O)c1ccc2c(c1)OCCCO2 21874363 MRZYVDXLUWRBLD-UHFFFAOYSA-N 319.401 3.116 0 40 DGAB C[C@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 22090496 GZBOKZTXZSDMNS-NSHDSACASA-N 313.788 3.427 0 40 DGAB COc1ccc(CNC(=O)CSc2ccc(OC)cc2)cc1 22531285 QPQMVYMPXIGBQO-UHFFFAOYSA-N 317.410 3.112 0 40 DGAB Cc1nc(C(=O)N[C@@H](C)c2cccc(Br)c2)co1 22538545 IOAAVTZFUZKZLK-QMMMGPOBSA-N 309.163 3.237 0 40 DGAB NC(=O)[C@@H](NCc1ccc(C(F)(F)F)cc1)c1ccccc1 26225284 LEFBGIPBEDOEJL-AWEZNQCLSA-N 308.303 3.022 0 40 DGAB CC(C)c1nc(CC(=O)N2CCc3sccc3C2)cs1 33240543 HKGFIUSNHVKIGV-UHFFFAOYSA-N 306.456 3.455 0 40 DGAB CCCCOc1ccc(/C=C/C(=O)N[C@@H](C(=O)O)C(C)C)cc1 33460365 NTUXWHFDUZRVKO-VGMNTSGFSA-N 319.401 3.104 0 40 DGAB COc1ccc(-n2nnnc2C(C)(C)Nc2ccccc2C)cc1 35622201 WCTMIAQBPKJSAS-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB O=C(c1ccsc1)N1CCC(c2nnc(C3CC3)o2)CC1 38518795 LHHNSGCSSJHJGU-UHFFFAOYSA-N 303.387 3.028 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)[C@H]1CCCc2ccccc21 40069876 QFWVUEVIDMCHJU-KRWDZBQOSA-N 318.380 3.326 0 40 DGAB Cc1cc(O[C@@H](C)C(=O)Nc2nncs2)ccc1C(C)C 40141675 IKKRAKWATXMGJS-NSHDSACASA-N 305.403 3.376 0 40 DGAB CCOC(=O)N[C@H](CNCc1ccc(F)cc1F)CC(C)C 48274106 BVTJDNONORYRNN-AWEZNQCLSA-N 314.376 3.215 0 40 DGAB Cc1ccc(C)c([C@@H](C)NCC(=O)N(C)Cc2ccco2)c1 49600813 GEEYVTOVODOQAC-OAHLLOKOSA-N 300.402 3.206 0 40 DGAB Cc1ccc(S[C@@H](C(=O)NCc2cccnc2)C(C)C)nc1 50248193 QCAFWCNPPNMKTE-MRXNPFEDSA-N 315.442 3.218 0 40 DGAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@H]1c1ccncc1 53029172 OCJOADWKJBTJEF-ROUUACIJSA-N 321.380 3.263 0 40 DGAB C[C@@H](NS(=O)(=O)c1cccs1)c1ccc2c(c1)CCC2 53698355 VBYKEAPJXBEMQH-LLVKDONJSA-N 307.440 3.276 0 40 DGAB C[C@H](COc1ccccc1)NC(=O)CCc1ccccc1F 55731582 HUJCFAFJMJETKL-CQSZACIVSA-N 301.361 3.342 0 40 DGAB COCCN(C)C(=O)Nc1ccccc1N1CCCCCC1 56587760 VFQKYVVUTWQKEQ-UHFFFAOYSA-N 305.422 3.177 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1nnc(COc2ccccc2)o1 56900976 HDKDQQAVLLLJBJ-VAWYXSNFSA-N 321.336 3.301 0 40 DGAB O=C(O)[C@H](Cc1cccc(C(F)(F)F)c1)N1CCCCC1 57629927 JODDRBKPWNNNAD-ZDUSSCGKSA-N 301.308 3.187 0 40 DGAB COc1nc2cc(C)ccc2cc1CN(C)Cc1cc(C)[nH]n1 57811435 RWTQYBWMEBKUKO-UHFFFAOYSA-N 310.401 3.215 0 40 DGAB CC[C@H](c1ccccc1)[C@H]1CCCN1C(=O)CCOCCOC 58926718 DXMSZSVQBGTWTD-QZTJIDSGSA-N 319.445 3.224 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@@](C)(O)CCc2ccccc2)c1 62021422 QKXDNRQIKFYRQL-FQEVSTJZSA-N 311.425 3.417 0 40 DGAB O=C(NOCc1ccccc1)c1csc(-c2ccccn2)n1 65474428 LFSQFPFUZZPRLZ-UHFFFAOYSA-N 311.366 3.067 0 40 DGAB O=C(Nc1nncs1)C1(c2cccc(C(F)(F)F)c2)CC1 66280152 ZNZXSHHQWRHBHO-UHFFFAOYSA-N 313.304 3.227 0 40 DGAB Cc1cnc(C(=O)N2CCC(Cc3ccc(F)cc3)CC2)cn1 69348670 WWXMNXAVUIZKIU-UHFFFAOYSA-N 313.376 3.019 0 40 DGAB C[C@@H]1CCC[C@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F 69627006 ZBFGWVKMOVARCG-ZWNOBZJWSA-N 321.352 3.092 0 40 DGAB C[C@H](c1ccccc1)[C@@H](CO)NC(=O)Nc1ccc(F)cc1F 69669767 ZZTCUGJQPHOOBO-BDJLRTHQSA-N 320.339 3.251 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccc2ccccc2n1 69709492 OHXRVPGZJIBAHO-MOPGFXCFSA-N 323.440 3.324 0 40 DGAB O=C(NC1CCSCC1)c1cc(F)c(Cl)nc1Cl 71799891 FTVSOHRIXDOUOU-UHFFFAOYSA-N 309.193 3.153 0 40 DGAB CCCCCC(=O)NCC1CCN(Cc2nc(C)c(C)o2)CC1 71896866 BRSCMAXULCIERW-UHFFFAOYSA-N 321.465 3.200 0 40 DGAB CSC[C@H](C)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 71910576 FUMOERGXSUVHMO-BBRMVZONSA-N 306.475 3.415 0 40 DGAB Cc1nnc(SC[C@H]2CCN(C(=O)OC(C)(C)C)C2)s1 71916369 STZYYHPBKWXCJX-JTQLQIEISA-N 315.464 3.196 0 40 DGAB Cc1ccc(CCC(=O)Nc2cc(-c3ccncc3)n[nH]2)cc1 72256054 ZQGUIJUAIUGOCR-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB COc1ccc(C)cc1CS(=O)(=O)CCc1ccccc1 73894515 CBCXDHMASUBLKU-UHFFFAOYSA-N 304.411 3.161 0 40 DGAB CC(C)c1cc(CNC(=O)c2cc(Cl)c(Cl)n2C)on1 74670433 KVUROIABEPHIBP-UHFFFAOYSA-N 316.188 3.373 0 40 DGAB O=C(Cc1cccc2cccnc12)N1CCOc2ccccc21 75646427 GLHSDIBGQKADCI-UHFFFAOYSA-N 304.349 3.203 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1cc(C)ccc1C 76123531 AAPZYAPIBBMDKT-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB C[C@@H](CNc1cncc(Cl)n1)CN(C)C(=O)OC(C)(C)C 84640174 KFWYFCAAGVQLJZ-JTQLQIEISA-N 314.817 3.045 0 40 DGAB CC[C@@H](NC(=O)c1ccnc(OC2CCC2)c1)c1nccs1 89572640 ISJVKOSGTBSVTE-CYBMUJFWSA-N 317.414 3.351 0 40 DGAB Cc1ccc(N2CCN([C@H](C(=O)O)c3ccccc3)CC2)cc1C 91690119 FKFNZUCBOXRSDN-IBGZPJMESA-N 324.424 3.251 0 40 DGAB C[C@@H]1Cc2ccccc2N1CCNC(=O)/C=C/c1ccc(F)cc1 95385736 SZOQBFQTBLVWLO-KUCQQTCKSA-N 324.399 3.406 0 40 DGAB Cc1nc2cc(NCc3c[nH]nc3-c3cccnc3)ccc2n1C 95429312 VRQANBOGJJIQQD-UHFFFAOYSA-N 318.384 3.279 0 40 DGAB CN(C)C(=O)c1ccc(CNc2ccc(C(F)(F)F)cc2)[nH]1 95989025 YZHCAUNRZYTTMF-UHFFFAOYSA-N 311.307 3.347 0 40 DGAB CC(=O)N1CCC2(CCN(Cc3cccc(F)c3)CC2)CC1 96158408 WLIIGHRWUQBVFG-UHFFFAOYSA-N 304.409 3.050 0 40 DGAB CC[C@H](NC(=O)c1cc2ccccn2c1)c1c(C)nn(C)c1C 96443179 WVQXHNFGADKENU-INIZCTEOSA-N 310.401 3.171 0 40 DGAB Brc1ccc(N2CCCC2)c(NCc2ncc[nH]2)c1 96486347 CYHPBFPVKBEYOA-UHFFFAOYSA-N 321.222 3.385 0 40 DGAB c1cc(Cn2cccn2)cc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)c1 97037345 PDUZPVDOUQGIPU-KSZLIROESA-N 309.413 3.301 0 40 DGAB C[C@@H](Nc1cccc(CN2CCOCC2)c1)c1ccc(F)cn1 97038037 JOHNBGMIHJMTGT-CQSZACIVSA-N 315.392 3.226 0 40 DGAB COC(=O)[C@H](C)SCc1coc(-c2ccc(F)c(F)c2)n1 97165352 ZCVDJTDEKZNVOT-QMMMGPOBSA-N 313.325 3.415 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)O)[C@H]2C(=O)N1CCCC[C@@H]1C 102596092 GUOHAOSSSNLHLQ-HJORKGSMSA-N 305.418 3.081 0 40 DGAB CN(CCNC(=O)CCSc1ccccc1)c1ccccc1 105237619 CXIMQGUCDPAKTC-UHFFFAOYSA-N 314.454 3.421 0 40 DGAB C[C@@H](Sc1ncc(C(F)(F)F)cc1Cl)c1nnnn1C 188657974 CKVPIOVTIHKNRX-RXMQYKEDSA-N 323.731 3.131 0 40 DGAB CC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NCc1ccc(C)cc1 222744199 AEXPDRNWTJMEDO-INIZCTEOSA-N 324.424 3.048 0 40 DGAB CCCCO[C@@H](Cc1cccc(Br)c1)C(=O)O 225064711 OWKUQDKBQIBICO-LBPRGKRZSA-N 301.180 3.262 0 40 DGAB CCC(=O)N1CCN(c2c(Cl)cccc2-n2cccc2)CC1 226245368 NUQQKQLDGNCMEG-UHFFFAOYSA-N 317.820 3.189 0 40 DGAB Cc1cccc(CN2C[C@H]3CC[C@@H](Oc4cccnc4C)[C@H]3C2)n1 257215119 COTWYDXBXFCWIU-IMFGXOCKSA-N 323.440 3.383 0 40 DGAB Cc1ccc(C(=O)N2CCC(c3cccc4nccn34)CC2)cn1 257341241 ZJMOJUSPPHEHDC-UHFFFAOYSA-N 320.396 3.058 0 40 DGAB COc1ccc(F)c(CNC[C@@H]2CC(=O)Nc3ccccc32)c1 585085829 AILFKSGFPUODLR-LBPRGKRZSA-N 314.360 3.050 0 40 DGAB CCCc1occc1C(=O)Nc1ccccc1[C@H]1CCC(=O)N1 585128528 DTENJWVKPVWZPZ-OAHLLOKOSA-N 312.369 3.436 0 40 DGAB CC(C)(C)c1coc(CC2CCN(C(=O)c3cc[nH]c3)CC2)n1 585139075 PDQNEPOIOVXTTK-UHFFFAOYSA-N 315.417 3.395 0 40 DGAB Cc1ccc2c(c1)N(C(=O)c1cc(O)nc(Cl)c1)CCCO2 585139988 VDLSAEPCMSHSBN-UHFFFAOYSA-N 318.760 3.178 0 40 DGAB COC(=O)CCc1c(C)nc2cc(-c3ccccc3)nn2c1C 1774141583 MSMCCKWEGGQXEM-UHFFFAOYSA-N 309.369 3.119 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2ccc(Cl)cc2O)CC1 1887594906 MZZWMRAYDHIBAF-UHFFFAOYSA-N 312.797 3.103 0 40 DGAB CCOc1ccc(NC(=O)Cn2cc(C=O)c3ccccc32)cc1 578803 GUIFOJDEHPXLIU-UHFFFAOYSA-N 322.364 3.491 0 40 DGAB COc1cccc(SCC(=O)c2sc3ncnn3c2C)c1 1402672 BVXNGNQEJWPDSH-UHFFFAOYSA-N 319.411 3.083 0 40 DGAB O[C@H]1c2ccccc2CC[C@H]1C(O)(C(F)(F)F)C(F)(F)F 1639144 XIRXXXXJQVXTQG-ZJUUUORDSA-N 314.225 3.138 0 40 DGAB O=C(COC(=O)c1cccs1)N[C@H]1CCCc2ccccc21 3260748 YRIOFTFPXQZYSB-AWEZNQCLSA-N 315.394 3.099 0 40 DGAB CCN(CC)C[C@@H](C)OC(=O)c1ccccc1Br 3314832 IFQMPBHWWXUCSO-LLVKDONJSA-N 314.223 3.336 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)o1)C(=O)Nc1ccccc1 4828429 RBTSQELNJVXYCS-SNVBAGLBSA-N 315.354 3.449 0 40 DGAB CCc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)C[C@H]2C 5353569 VCESACDANOPIQI-LLVKDONJSA-N 301.386 3.081 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2cc(C)ccc2OC)s1 6789380 JMTICKRXMRUZRE-SOFGYWHQSA-N 303.387 3.069 0 40 DGAB Cn1nnnc1NCc1ccc(-c2cc(Cl)cc(Cl)c2)o1 7602193 PGCNIZMAHVHGKF-UHFFFAOYSA-N 324.171 3.389 0 40 DGAB COc1ccc(Cl)cc1Cn1cnc2cc(F)ccc2c1=O 8506971 BRKMIFBJPBPBHO-UHFFFAOYSA-N 318.735 3.246 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cnccn2)cc1 8879135 LNIXDSOLXIQZOB-KRWDZBQOSA-N 311.385 3.243 0 40 DGAB Cc1nnc(NC(=O)CCCOc2ccc(Cl)cc2C)o1 8884164 BSAMBBNJBTZKSC-UHFFFAOYSA-N 309.753 3.138 0 40 DGAB O=C(CCC(=O)OCCCc1ccccc1)Nc1nccs1 12136946 BEPKSKUOUONJCE-UHFFFAOYSA-N 318.398 3.038 0 40 DGAB Cc1ncc(CN2CCc3c([nH]c4ccc(Cl)cc34)C2)n1C 12147163 DWJCAEPTCKPOJD-UHFFFAOYSA-N 314.820 3.422 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1cnc(C(C)(C)C)nc1 12204018 ZDTCZBJFOCZFHM-NSHDSACASA-N 303.431 3.197 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1cccc(F)c1 12912696 MFYXJSLJUQZVDX-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1cccc(F)c1 12977618 PJRMMZHDOTWQAQ-AWEZNQCLSA-N 323.414 3.341 0 40 DGAB Cc1cccc(C)c1OCc1cc(=O)n2c(C)csc2n1 13367469 PFLMIPIQBVVWIQ-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB Cc1ccc(C)c(O[C@H](C)C(=O)NCCN2CCCCCC2)c1 13710898 FQAXTQWXVFEILA-QGZVFWFLSA-N 318.461 3.063 0 40 DGAB O=C(NCCCc1ccccc1)Nc1ccc2c(c1)OCCO2 14023236 FCLPLHTXPONSJT-UHFFFAOYSA-N 312.369 3.212 0 40 DGAB COc1ccccc1-c1cc(=O)c2c(OC)c(OC)ccc2o1 14807241 IQWXFMQSQNSHKI-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB endogenous,in-man C[C@]12CC[C@H]3[C@@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@]34C)[C@@H]1CCC2=O 17111165 CSOPPJRLYYLIIJ-WGLVHGMPSA-N 302.414 3.155 0 40 DGAB Cc1ccc2nc3sc(Nc4ccccc4)nn3c(=O)c2c1 17121840 UNVZJHGEQHSSKQ-UHFFFAOYSA-N 308.366 3.356 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCCC2=O)cc1 17605194 YAXIYJLVIXYORU-MDWZMJQESA-N 306.365 3.465 0 40 DGAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3ccncc3)o2)cn1 19215111 YFYGCCGQCPMSJV-MRXNPFEDSA-N 321.384 3.172 0 40 DGAB CSc1ccc([C@@H](C)NC(=O)c2cnc(C)nc2C)cc1 19937154 NEOGNVGGHLEMLD-SNVBAGLBSA-N 301.415 3.306 0 40 DGAB C[C@@H]1CN([C@@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 20009113 VWNPDOBODKGLFJ-BREBYQMCSA-N 303.233 3.102 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCCCC2)c1C 20488566 HMCQOOFQKBQROU-KRWDZBQOSA-N 318.461 3.063 0 40 DGAB CC(=O)c1cc(CCC(=O)n2cccc/c2=N\C(C)C)oc1C 25078387 CUHTXNHBIDHHJW-HTXNQAPBSA-N 314.385 3.174 0 40 DGAB CN1/C(=C\C(=O)NC(=O)c2ccccc2)C(C)(C)c2ccccc21 25337311 ZWTOLCFYYTUEEH-LGMDPLHJSA-N 320.392 3.255 0 40 DGAB CC(C)c1ccc(NC(=O)c2nc3ccccc3c(=O)[nH]2)cc1 28210269 HRAKRDMXKBRKKR-UHFFFAOYSA-N 307.353 3.299 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)s1 31927916 ODHCFIFPBXCUDB-UHFFFAOYSA-N 302.355 3.265 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 32815703 HNAKFTGLSKGJHJ-CYBMUJFWSA-N 322.836 3.482 0 40 DGAB CC(C)Oc1ncccc1CNC(=O)N[C@H](C)c1cccs1 40120694 QJHHNXTVGNGBLS-GFCCVEGCSA-N 319.430 3.491 0 40 DGAB c1csc(CN(Cc2nc(C3CC3)no2)C[C@@H]2CCCO2)c1 40493781 OXOMYKADWDRBKG-ZDUSSCGKSA-N 319.430 3.190 0 40 DGAB Cc1ccc(CNC(=O)NCCCCN2CCC(C)CC2)cc1 43060418 MVCFPONFIVAZQU-UHFFFAOYSA-N 317.477 3.306 0 40 DGAB O=C(c1cccc(Cl)c1)c1cccc(CN2CCOCC2)c1 43210998 QXESBVLPBUKASP-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB COc1ccccc1[C@H](C)N(C)CCC(=O)Nc1cc(C)on1 44914495 LKXIYWZZMJWQRS-ZDUSSCGKSA-N 317.389 3.013 0 40 DGAB CN(C)c1ccc(C(=O)NCc2ncc(-c3ccccc3)o2)cc1 47092054 YXVQLSKTDCIYMF-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB CC(C)CCC(=O)Nc1cccc(OCCn2ccnc2)c1 48311814 HVJPUVZIBDYTEO-UHFFFAOYSA-N 301.390 3.337 0 40 DGAB CCOc1cccc(CNC(=O)Cc2noc3ccccc23)c1 48377319 AEJCWCGGSCGEKL-UHFFFAOYSA-N 310.353 3.085 0 40 DGAB CC[C@@H]1CCCCN1C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 52735429 PICCLSHMZFENOV-CQSZACIVSA-N 316.380 3.120 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 55052307 LFFVVSLODBWICQ-GCZGRYASSA-N 323.396 3.262 0 40 DGAB Cc1cccc([C@@H]2CCCN2CC(=O)Nc2nccs2)c1 55910179 CGZWQTHCBBSLQA-AWEZNQCLSA-N 301.415 3.227 0 40 DGAB Oc1ccccc1N1CCN(Cc2ccccc2Cl)CC1 57286324 KMKDRWDKJHQBJU-UHFFFAOYSA-N 302.805 3.368 0 40 DGAB CC(=O)c1cccc(N[C@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1 58007191 PNIAXQCCLWCZEW-AHIWAGSCSA-N 302.418 3.385 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66771671 PPIVSWXXMFNSBL-ZBFHGGJFSA-N 313.397 3.478 0 40 DGAB COc1cc(/C=C/C(=O)N[C@H]2C[C@H]2c2ccccc2)cc(OC)c1 67512870 OYMJGOWTXJZDQN-VANUVFSVSA-N 323.392 3.389 0 40 DGAB O=C(Nc1nnc(-c2cccc(Cl)c2)s1)C1CCOCC1 68011298 HTSAVEYBVAKATN-UHFFFAOYSA-N 323.805 3.224 0 40 DGAB CCOc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)cc1 69078682 NCIUFTDRFDNXOD-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB CN(C(=O)Cn1ccc2ccc(Cl)cc21)c1nccs1 69489826 ASQWCZRWYCGVIR-UHFFFAOYSA-N 305.790 3.414 0 40 DGAB Cc1csc(CNC(=O)N[C@H]2CCCOc3ccccc32)n1 69514402 MYLCVQDCXBQDHM-ZDUSSCGKSA-N 317.414 3.165 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1c(F)cccc1Cl 70039935 GELPVQIWAMRQFT-DLBZAZTESA-N 324.827 3.454 0 40 DGAB Cc1ccc(CNC2CCN(CCc3ccncc3)CC2)s1 71792601 CWNCRFSWXRRFPU-UHFFFAOYSA-N 315.486 3.248 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cn1 71830410 ICCAVLQIHIIQCP-RBUKOAKNSA-N 323.440 3.005 0 40 DGAB O=c1ccn(C2CC2)c(SCc2nc3ccccc3s2)n1 71858611 XQFASBJGOFNCRJ-UHFFFAOYSA-N 315.423 3.480 0 40 DGAB CCCN(C[C@H]1CCCCO1)C(=O)c1ccc(OC)cc1OC 71882991 KJFLZQPGSJTXOE-OAHLLOKOSA-N 321.417 3.125 0 40 DGAB Cc1noc([C@H](C)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 71892931 HCEOHCZQVPSMLR-AAEUAGOBSA-N 311.389 3.195 0 40 DGAB O=C(NC[C@@H]1CCOC1)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl 71894084 LAWNLHIZSFSDGV-ZMLRMANQSA-N 314.212 3.250 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3cccc(F)c3F)C2)n1 72235765 KRGRTBZBBCKZMF-ZDUSSCGKSA-N 319.355 3.255 0 40 DGAB Cc1csc(CN(C[C@H]2CCCO2)C(=O)c2occc2C)n1 72303184 YSENXICPQDRNSW-CYBMUJFWSA-N 320.414 3.174 0 40 DGAB Cc1nccn1-c1cncc([C@H]2CCCN2Cc2ccccc2)n1 72378663 XOBIANGRWQIJEI-GOSISDBHSA-N 319.412 3.308 0 40 DGAB CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl 74935367 AOVGUXKWXLYVJQ-UHFFFAOYSA-N 317.838 3.350 0 40 DGAB CC(C)c1cnc(S[C@@H]2CCN(C3CC3)C2=O)n1C(C)C 79014650 ZZBNSZYKVAUEEX-CQSZACIVSA-N 307.463 3.443 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)[C@@H](C)NC(=O)Nc1ccccc1 79043577 IXXVHGCRQPTTBA-OLZOCXBDSA-N 315.373 3.009 0 40 DGAB COC(=O)[C@H](C)[C@@H](NCc1ccncc1Cl)c1ccccc1 79937356 VVPSFNFNUQPEAP-MLGOLLRUSA-N 318.804 3.375 0 40 DGAB Cc1cc(CNC(=O)NCC2(Cc3ccccc3)CCC2)no1 89604911 ZUMGTHFRXSVVDV-UHFFFAOYSA-N 313.401 3.195 0 40 DGAB O=C(c1cccc(-n2cncn2)c1)N(CC1CC1)C1CCCCC1 89780900 QSFWUZVISNWBGX-UHFFFAOYSA-N 324.428 3.452 0 40 DGAB O=C(c1ncoc1[C@@H]1CCCO1)N(Cc1ccccc1)C1CC1 89832485 UDAVFPSSGUYRIM-HNNXBMFYSA-N 312.369 3.331 0 40 DGAB CCCn1ccnc1-c1cccc(NC(=O)[C@H]2CCCOC2)c1 89960761 IUFBTNQJDZYOSU-HNNXBMFYSA-N 313.401 3.325 0 40 DGAB Cc1cc(Cl)c2ccn(S(=O)(=O)c3ccccc3)c2n1 95919983 CRFKKDCFWSVYQT-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB CC(C)n1cc(NC(=O)N(C[C@@H](C)O)C2CCCCC2)cn1 95939145 GIKMWKACZYAUAK-CYBMUJFWSA-N 308.426 3.011 0 40 DGAB CC(C)OC[C@]12CCCO[C@H]1CCN(C(=O)c1ccsc1)C2 96040515 LAPUEBVKYADKKT-DOTOQJQBSA-N 323.458 3.184 0 40 DGAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC1Cc2ccccc2C1 96477811 QLFNCIFQMVJQLW-IERDGZPVSA-N 321.468 3.049 0 40 DGAB C[C@H](CNC1CCN(CC(F)F)CC1)c1ccc(F)cc1F 96478797 IMBFFKRSWMQNPK-LLVKDONJSA-N 318.358 3.387 0 40 DGAB C[C@@H]1C[C@H]1[C@H](NC(=O)Nc1nnc2ccccn12)c1ccccc1 97002186 RVWCIXWSMSHDPO-XNRPHZJLSA-N 321.384 3.248 0 40 DGAB CCOC(=O)N1CCC(Nc2cc(CN(C)C)ccc2C)CC1 97032817 MHGKMKHYVNBYJF-UHFFFAOYSA-N 319.449 3.089 0 40 DGAB COCc1ccc(CNCc2c[nH]nc2-c2ccc(C)o2)cc1 97159514 FJMBLCCNPZUOOQ-UHFFFAOYSA-N 311.385 3.414 0 40 DGAB CC(=O)[C@H]1[C@@H]2Oc3ccccc3[C@@H]1NC(=S)N2c1ccccc1 104532378 RWPOABBUOYJRBT-IKGGRYGDSA-N 324.405 3.046 0 40 DGAB O=c1nc(/C=C/c2cc(Cl)ccc2O)cc(C(F)(F)F)[nH]1 165241104 TYFVUNJYAYXLGJ-HNQUOIGGSA-N 316.666 3.318 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOCc2ccccc2)cc1 177066223 MXHBQXUXTPDCMB-INIZCTEOSA-N 313.397 3.095 0 40 DGAB COC(=O)c1ccc(OCc2cccnc2)c(Br)c1 216844860 VXRLFKJUQLMSRT-UHFFFAOYSA-N 322.158 3.210 0 40 DGAB Clc1ncnc(NC2CCCC2)c1I 217591845 MLLXQXYIOGCSGX-UHFFFAOYSA-N 323.565 3.089 0 40 DGAB COc1cc(OC)cc(OCC(=O)NC2CCCCCCC2)c1 218892134 SXZJLRXVTNQCGN-UHFFFAOYSA-N 321.417 3.312 0 40 DGAB CC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225273669 TZBCEXLLLYXLAE-LBPRGKRZSA-N 305.447 3.207 0 40 DGAB CCc1cc(N)ccc1NC(=O)c1ccc(OC)c(OC)c1 226318106 JQFOITIKFHAZOW-UHFFFAOYSA-N 300.358 3.101 0 40 DGAB CCc1ccc([C@H](C)NC(=O)N[C@@H]2CCCC[C@H]2CO)cc1 246152729 HLXZBUQCAFATTJ-RRQGHBQHSA-N 304.434 3.160 0 40 DGAB O=C(c1cccc(F)c1)N1CC[C@@H](c2ncn3ccsc23)C1 257263048 LODDUBFJYSYXBT-GFCCVEGCSA-N 315.373 3.165 0 40 DGAB O=C(c1cnco1)N1CCC[C@@H](Cc2cccc3ncccc23)C1 257290255 QCEIUASIPAKURP-AWEZNQCLSA-N 321.380 3.318 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2c(C)oc3c2CCCC3)C1 257311377 UJENIPNNWPSSKA-CYBMUJFWSA-N 313.401 3.128 0 40 DGAB CCOC(=O)CCCC(=O)c1ccc(Cl)cc1C(=O)OC 575361929 SRLZLNSGSBQXSD-UHFFFAOYSA-N 312.749 3.043 0 40 DGAB C[C@H]1CCc2c(sc3nc(-c4cccc(O)n4)nc(O)c23)C1 585136964 ANKQEWYZOUQFJP-QMMMGPOBSA-N 313.382 3.289 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccoc1 1775967009 BGTQSCRCTLNOFX-LLVKDONJSA-N 303.339 3.065 0 40 DGAB Cc1nnc(N2CCC(COc3ccncc3Cl)CC2)s1 1889090959 BCXBDLTVSGMKDQ-UHFFFAOYSA-N 324.837 3.190 0 40 DGAB CN(c1nc2ccc(F)cc2s1)C1CN(c2ccccn2)C1 1889186691 SEXAUQQHYVSLGR-UHFFFAOYSA-N 314.389 3.155 0 40 DGAB c1cc2n(n1)C[C@@H](COCC1CC1)CN(CC1CCCCC1)C2 2055708275 ZKHFJJITCRWNJU-SFHVURJKSA-N 317.477 3.322 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)c1C 260482 HJXHYRPCFPEXSN-MRXNPFEDSA-N 318.417 3.499 0 40 DGAB CSC[C@@H](C)NC(=O)Nc1nc(-c2ccccc2)ns1 76778186 BLTBOYRVDXRNPB-SECBINFHSA-N 308.432 3.078 0 40 DGAB CCc1c(C)n[nH]c1-c1nn2c(-c3cccs3)nnc2s1 8992830 MTHKMJCEVASMSM-UHFFFAOYSA-N 316.415 3.175 0 40 DGAB CCCN(C(C)=O)c1nnc(-c2ccc(OCC)cc2)s1 1345547 GZJCBXRSSRRCNW-UHFFFAOYSA-N 305.403 3.367 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)NCc2nccn2C)o1 78952694 KHMQLNQRQMRSGF-JSGCOSHPSA-N 316.405 3.004 0 40 DGAB Cc1ccc2nc(N3CCN(C)CC3)nc(-c3ccccc3)c2c1 755250 JSNBAEPLZJZVDS-UHFFFAOYSA-N 318.424 3.357 0 40 DGAB COC(=O)[C@H]1CCCCN1C(=O)c1cc2ccccc2s1 42647571 FJMLCQXJCYJCLT-GFCCVEGCSA-N 303.383 3.069 0 40 DGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1cc(Cl)c[nH]1 24190660 HAFYDNWAGJMFNC-UHFFFAOYSA-N 314.776 3.126 0 40 DGAB Cn1nncc1CNc1cccc(-c2ccc3c(c2)CCO3)c1 97051464 KGTAJIDZLXPFKA-UHFFFAOYSA-N 306.369 3.029 0 40 DGAB CCCCCC[C@H](C)NC(=O)c1ccc2c(c1)OCC(=O)N2 24969089 UXAYELGUDIEYER-LBPRGKRZSA-N 304.390 3.106 0 40 DGAB CN(C(=O)c1cccn(Cc2ccccc2)c1=O)c1ccccc1 1391158 YFSQGTJIKIGRGG-UHFFFAOYSA-N 318.376 3.173 0 40 DGAB Cn1ccnc1SCc1cc(O)n(-c2ccc(Cl)cc2)n1 9937287 BXKYJCVNFODPER-UHFFFAOYSA-N 320.805 3.257 0 40 DGAB Cc1cccn2c(CNc3cccc(C[S@](C)=O)c3)cnc12 95429152 DCEMSRXCEKJJRX-JOCHJYFZSA-N 313.426 3.133 0 40 DGAB c1csc(-c2cc(CSc3nc4ncccn4n3)no2)c1 10076933 VNCFRTMWNDCDGA-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB CC(C)c1cnc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)o1 72299943 NJTATHXVMGDTAC-ZDUSSCGKSA-N 316.405 3.438 0 40 DGAB COCc1nc(C(=O)OCc2nc3ccccc3s2)cs1 58158250 YHXIUFCELBRMGZ-UHFFFAOYSA-N 320.395 3.256 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccnc(-n3ccnc3)c2)[C@@H]2CCCC[C@H]12 58210242 SBFZIIOEAFPINS-DJIMGWMZSA-N 324.428 3.308 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N1CCO[C@H](c2ccccc2)C1 27907845 ABKTZIMJUYTTHY-HNNXBMFYSA-N 314.385 3.320 0 40 DGAB Cc1ccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1C 102073062 BCPLDXUYTFDQDJ-WYJHLCISSA-N 311.381 3.011 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)NCc2ccccc2)cc1 3334312 BNYGVMCMBLVXCB-UHFFFAOYSA-N 311.381 3.365 0 40 DGAB COc1ccc(CCC(=O)Nc2ncc(C)s2)cc1OC 3329782 BDEZQJNQDBCYKB-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1c(F)cccc1F 100189359 JQPXURDGBSANFL-PIGZYNQJSA-N 301.340 3.325 0 40 DGAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1O2)C1(c2cccs2)CCCCC1 102682250 VKMNQRGCXRUHTL-IHRRRGAJSA-N 305.443 3.386 0 40 DGAB Cc1ccc2c(c1)CCCN2S(=O)(=O)Cc1ccc(F)cc1 48309525 FNFMGMSZWLWOMU-UHFFFAOYSA-N 319.401 3.417 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1ccc(F)c(F)c1 95430453 PTGAIMGMFVVHHU-LBPRGKRZSA-N 319.351 3.303 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)c1cc(Cl)ccc1O 23039766 QRYASIHEYMQRCA-UHFFFAOYSA-N 319.744 3.459 0 40 DGAB COC(=O)c1cccc(CNC(=O)Nc2cccc3[nH]ccc23)c1 95411748 KFHQPKCDCZDCCU-UHFFFAOYSA-N 323.352 3.276 0 40 DGAB Cc1cccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c1 26885932 MXLBETWWZRBMPA-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)Cc1noc(C(C)(C)C)n1 46060286 UKEBEFFEWXMLLW-UHFFFAOYSA-N 317.389 3.118 0 40 DGAB CN(Cc1ccnn1C)C(=O)c1ccc(-c2ccccc2)cc1 28219699 GIOCXEZRVBPAMI-UHFFFAOYSA-N 305.381 3.359 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)c1ccccn1 9157792 RTPCXBLRZKRUHQ-UHFFFAOYSA-N 309.291 3.419 0 40 DGAB O=C(CSC(F)(F)F)Nc1cnn(-c2ccccc2)c1 84576662 ASEBQXFYXHYQQE-UHFFFAOYSA-N 301.293 3.064 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F 6284836 FLBXFTYXYKLPSA-LLVKDONJSA-N 316.332 3.036 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)COCC(F)(F)F)cc1C 65415279 JSEIPWQXVAEDAE-SNVBAGLBSA-N 320.311 3.093 0 40 DGAB COc1ccc(CCCN2CC[C@H]3OCCC[C@@H]3C2)cc1F 96013600 ORNBZGBFJCSXLM-NVXWUHKLSA-N 307.409 3.268 0 40 DGAB COCC[C@@H](C)S(=O)(=O)Oc1cc(C)ccc1C(C)C 96006777 RCSPZGQZCUOVOS-CYBMUJFWSA-N 300.420 3.252 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95434171 WMGWEIILEGEWIQ-ZBFHGGJFSA-N 316.401 3.425 0 40 DGAB Cc1cc(C(=O)OCC(=O)c2cc(C)n(C(C)C)c2C)on1 7226527 FNVDWEKVWMFEME-UHFFFAOYSA-N 304.346 3.022 0 40 DGAB CC(C)CNc1nnc(SCC(=O)Nc2ccccc2)s1 7249472 OLLOFTJBCHUQKU-UHFFFAOYSA-N 322.459 3.337 0 40 DGAB CCn1c(C)cc(C(=O)CSc2nnc(C)n2C2CC2)c1C 7617788 RCSDEEBEABHVAX-UHFFFAOYSA-N 318.446 3.335 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)CCN2C(=O)c1cccnc1 19819247 MYHQUFVPGRZPTI-UHFFFAOYSA-N 323.396 3.269 0 40 DGAB CCOc1ccc(NC(=O)c2cccc(C[S@@](C)=O)c2)cc1 16482772 IPKAXIJLDGHPBZ-QFIPXVFZSA-N 317.410 3.216 0 40 DGAB COC(=O)c1cc(C(=O)N2CCC[C@@H]2c2ccccc2C)ccn1 81706455 UPELUYKSYFCYGH-QGZVFWFLSA-N 324.380 3.154 0 40 DGAB Cc1n[nH]cc1CN[C@H](c1ccc2c(c1)OCCCO2)C(C)C 71819521 MMLUKPQFHFSSTJ-SFHVURJKSA-N 315.417 3.366 0 40 DGAB C[C@H](CNC(=O)Nc1cccc2ccccc12)Cn1ccnc1 69845702 FQEZMALMCDRSCH-CQSZACIVSA-N 308.385 3.494 0 40 DGAB COc1cccc(N2CC[C@H](CNCc3cccc(O)c3)C2)c1 71924608 GGZYDYWMPZIJOR-MRXNPFEDSA-N 312.413 3.017 0 40 DGAB O=C(NC[C@H]1CCO[C@H]1c1ccccc1)c1ccc2[nH]cnc2c1 98014497 NKMNNGFVYGICLX-QAPCUYQASA-N 321.380 3.071 0 40 DGAB COc1ccc(Br)c(NC(=O)c2cncc(C)c2)c1 88449686 BTKGBJPSNLIACX-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CCNc1nnc(SCc2cn3c(C)cccc3n2)s1 74268143 ZZDZDRXUWISNNZ-UHFFFAOYSA-N 305.432 3.218 0 40 DGAB COC(=O)c1ccc(NC(=O)N(C)Cc2ccoc2C)cc1F 89540699 OBIAQAHWCFHPLG-UHFFFAOYSA-N 320.320 3.178 0 40 DGAB Cc1cn2c(n1)[C@H](CNCC1=Cc3ccccc3OC1)CCC2 89702098 ZMIJGRPKULWBMC-KRWDZBQOSA-N 309.413 3.135 0 40 DGAB Cc1nc(Cc2noc(C3(Cc4ccccc4)CCC3)n2)no1 89718453 KHOAWUMTMUZKIG-UHFFFAOYSA-N 310.357 3.016 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H]1C=C[C@H]2C12CC2 408728985 WWCWNADLLAFMIE-GBOPCIDUSA-N 313.784 3.350 0 40 DGAB O=C(CC1CCC1)OCC(=O)c1ccc(Br)cc1 408720801 DLYKWWQGVRYWKD-UHFFFAOYSA-N 311.175 3.365 0 40 DGAB CC(C)=CCC[C@@H](C)NC[C@@H]1C[C@H](F)CN1Cc1noc(C)n1 505762976 MCUVQRFTDRJMNL-KBMXLJTQSA-N 324.444 3.015 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 30729193 ONVVZSHYQMOXLN-ZVMDJWLLSA-N 304.430 3.138 0 40 DGAB in-vitro Cc1cnc(CN2C[C@@H](c3ccccc3Cl)OC[C@@H]2C)cn1 78923230 JYWWBKBDEZGRSY-GUYCJALGSA-N 317.820 3.400 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C(C)(C)C)cc2)cn1 6252517 GCSGBEUSAVFSCQ-UHFFFAOYSA-N 314.385 3.405 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1 38849152 CCHXFRAQAFGXOH-CGTJXYLNSA-N 309.413 3.158 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@@H]1CCCCN1C(C)C 72219420 VIDJGQUFTPNBTP-KRWDZBQOSA-N 303.450 3.162 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)NCCC3=CCCCC3)ccc2N1 78403770 CZNJAQZQLVPDFA-CYBMUJFWSA-N 320.458 3.212 0 40 DGAB COC(=O)c1c(Br)cc(C)cc1Br 504390613 MUAVUJNELQOPIZ-UHFFFAOYSA-N 307.969 3.307 0 40 DGAB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)N1CCN(C)CC1 72206599 JSLHYSAACAQSLP-UHFFFAOYSA-N 324.852 3.034 0 40 DGAB Cc1noc(NC(=O)c2ccc(SC(F)(F)F)cc2)n1 42703112 CMZQTHDNGNHJHY-UHFFFAOYSA-N 303.265 3.242 0 40 DGAB O=C(NCc1ccco1)Nc1cc2c(cc1Cl)OCCO2 43904274 NAXVJAMAGKVWLN-UHFFFAOYSA-N 308.721 3.026 0 40 DGAB CCCN(C)c1nc(Cl)nc(Nc2cc(F)cc(F)c2)n1 199799850 FGZWLIGSDMWEJO-UHFFFAOYSA-N 313.739 3.393 0 40 DGAB C[C@H]1CCN(Cc2nc3ccccc3c(=O)[nH]2)[C@@H](c2ccco2)C1 195531861 KGUFSKGJOTZUAT-XJKSGUPXSA-N 323.396 3.489 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CCC 225192978 CXKRBLVXRBDTCH-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(c3ccccc3F)CC2)n1 44583733 AOELVJWYBKBEQH-ZDUSSCGKSA-N 318.396 3.215 0 40 DGAB Cc1ccnc(NC(=S)NCCCc2ccc(F)cc2)c1 223966222 MFDOIAOFKPQICC-UHFFFAOYSA-N 303.406 3.448 0 40 DGAB Cc1cccc(OCC(=O)NCCOc2cc(C)ccc2C)c1 224041993 RGTIKBRJQNGDQF-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CCOC(=O)[C@@H](C)[C@@H](C)NC(=O)Nc1ccsc1Cl 192981804 GSBKKUDMAHHDRK-JGVFFNPUSA-N 304.799 3.111 0 40 DGAB CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1c(C)noc1C 96492738 IYBDTAGGJRWYEV-ZIAGYGMSSA-N 323.437 3.342 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)C1 195551014 DCXCWXWFNSMODT-KZNAEPCWSA-N 323.392 3.267 0 40 DGAB CCn1cc(C2CCN(c3cnc4ccccc4n3)CC2)cn1 97202386 FTYCUBCTHQFHFD-UHFFFAOYSA-N 307.401 3.230 0 40 DGAB Cc1cccc(CN2CC[C@]3(CCN(Cc4ccoc4)C3)C2=O)c1 96050563 NSNMBOIHBLXAOF-FQEVSTJZSA-N 324.424 3.213 0 40 DGAB CC1(C)C[C@H](NCc2csc([C@@H]3CCCO3)n2)C(C)(C)O1 97103338 WTRHASNVJYVSTF-STQMWFEESA-N 310.463 3.430 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)c2cncc(C)c2)c1 96443088 SHJXGCMIVKLZMD-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2ccncc2)cc1 96041786 HHBZSQHXEYLFTR-XUVXKRRUSA-N 324.424 3.030 0 40 DGAB CCC(=O)N1CCC2(CC1)C[C@H](N(C)C)c1ccc(C)cc12 96241749 QQZYMTISPINUMW-KRWDZBQOSA-N 300.446 3.272 0 40 DGAB C[C@@H]1CCCN(C(=O)CCC(=O)Nc2c(F)cccc2F)CC1 585121528 RRKNRUUOHQGNRH-GFCCVEGCSA-N 324.371 3.332 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3csc4c3CCCC4)C2)n1 257261077 LFQBYUFXFVYFLA-GFCCVEGCSA-N 315.442 3.288 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)c2ccc(C)s2)nc(C)n1 257255456 KHNQGEFVAORNBY-CYBMUJFWSA-N 316.430 3.174 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)Cc3ccc(C)s3)C2)n1 257295312 QXVIEJITLTZCRH-CQSZACIVSA-N 315.442 3.104 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)NC(C)C)[C@@H]1c1cccc(Cl)c1 257325483 WTBRNIJSYIIWRN-ZBFHGGJFSA-N 322.836 3.164 0 40 DGAB Nc1nccc([C@H]2CCCCN2Cc2cc(F)ccc2F)n1 257234521 GTXCSUPHRNUWNQ-OAHLLOKOSA-N 304.344 3.064 0 40 DGAB O=C(Nc1cnn(C2CCOCC2)c1)c1cc2ccccc2o1 96104599 YFEMOODULMIWBT-UHFFFAOYSA-N 311.341 3.233 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccccc1C)c1cccs1 45865477 BZFUJNFUTCTPRB-CYBMUJFWSA-N 303.383 3.091 0 40 DGAB CCCOc1cccc(NC(=O)NCCCn2ccnc2C)c1 47500680 KWEKWJWYCRSFIA-UHFFFAOYSA-N 316.405 3.192 0 40 DGAB CCCNC(=O)c1cccc(CNCc2ccccc2F)c1 47794375 MWVVEZVITVLHGD-UHFFFAOYSA-N 300.377 3.255 0 40 DGAB Cc1nnc(-c2ccccc2NC(=O)CC[C@H]2CC[C@@H](C)O2)o1 74244429 XZYVZEBSUMEPDC-DGCLKSJQSA-N 315.373 3.331 0 40 DGAB OC1CCC(N[C@H]2CCc3cc(Br)ccc3C2)CC1 90799854 QLIIGKWCMAJNES-PCKAHOCUSA-N 324.262 3.200 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccccc1Cl 5558853 PSOCVOKJQDNPCT-UHFFFAOYSA-N 303.745 3.292 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 13011121 HYLWEXNQXKVCHM-HNNXBMFYSA-N 322.861 3.363 0 40 DGAB COc1ccc(Nc2c(C)c(C)nc3ncnn23)cc1Cl 15786652 BYBURTVXOYFUIS-UHFFFAOYSA-N 303.753 3.147 0 40 DGAB NC(=O)c1ccc(COC(=O)c2ccccc2C(F)(F)F)cc1 16743768 HBZZDAKKEZBWKZ-UHFFFAOYSA-N 323.270 3.161 0 40 DGAB Fc1ccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)cc1 19340985 KXMJBUKKFGONFI-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB O=C(Cn1cnc2ccccc21)N1CC[C@@H](c2ccccc2)C1 19656887 OGKOXYXGBCUCLP-MRXNPFEDSA-N 305.381 3.052 0 40 DGAB O=C(NCc1cccs1)NC[C@H]1CCCN1c1ccccc1 207993056 QGORVXMUNABHHL-OAHLLOKOSA-N 315.442 3.216 0 40 DGAB Cc1ncc(C(=O)N[C@@H](c2ccccc2)c2cccnc2)c(C)n1 12148289 FCKYZYRDRYWDPT-SFHVURJKSA-N 318.380 3.008 0 40 DGAB in-vitro Cc1cccc(OC[C@H]2CCCN(c3cc(C4CC4)ncn3)C2)n1 1888849712 RIVUEMTXXCOYCA-HNNXBMFYSA-N 324.428 3.353 0 40 DGAB Cc1cccc(N2CCN(c3cc(C(F)(F)F)ncn3)CC2)c1 1888873100 NJRTXGBKXMOVMS-UHFFFAOYSA-N 322.334 3.130 0 40 DGAB Cc1csc(C(=O)N2CCc3nc4ncccc4cc3C2)c1 1889860054 OEGCQRAJUQRIOX-UHFFFAOYSA-N 309.394 3.198 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1 7402234 YMZKIIJJOVMMDC-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB CC(=O)Oc1ccc(C2=N/C(=C\c3ccc(C)cc3)C(=O)O2)cc1 58624 CLQXPJIQWDLQFR-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB CCOc1ccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc2c1 197525 OAAJGNWIUXPXSL-VZCXRCSSSA-N 322.364 3.471 0 40 DGAB CC(=O)c1sc(NC(=O)CSc2ccccc2)nc1C 4496635 YLKBYRKGVSFLFK-UHFFFAOYSA-N 306.412 3.385 0 40 DGAB CC(C)c1nsc(N2CCC(Oc3nccs3)CC2)n1 2086875513 RRFALDOHJOKJRZ-UHFFFAOYSA-N 310.448 3.166 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccsc2)cc1)c1ccco1 575609565 DLDYCPCYHWRKLZ-OAHLLOKOSA-N 313.378 3.472 0 40 DGAB C[C@@H](NC(=O)Cn1cccn1)c1ccc(-c2ccccc2)cc1 40013750 KJYDCARAYHTDMK-OAHLLOKOSA-N 305.381 3.428 0 40 DGAB CCN(C(C)=O)c1nc(CN(C)Cc2cccc(F)c2)cs1 32759256 VZIAZMJJLITEQY-UHFFFAOYSA-N 321.421 3.287 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)c1 21587181 GUDDVGXUYCVZAD-MRXNPFEDSA-N 315.756 3.485 0 40 DGAB O=C(CSc1nc2ccccc2s1)NCc1ccccn1 32998071 LIUIYXYHIUPIAZ-UHFFFAOYSA-N 315.423 3.100 0 40 DGAB Cc1cccc(-n2ccnc2SCC(=O)NC2CCCC2)c1 427365 POXFWCXBKUONJJ-UHFFFAOYSA-N 315.442 3.332 0 40 DGAB CCCc1nc2sc3c(NN)ncnc3c2c2c1CCCC2 508059 AXMHZKGENIDAPT-UHFFFAOYSA-N 313.430 3.356 0 40 DGAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccc2c(c1)OCO2 521213 RLKFXTJUMKATTG-QGZVFWFLSA-N 322.364 3.421 0 40 DGAB CC[C@@]1(C)Cc2ccccc2-c2nc(SC)n(C)c(=O)c21 546173 SCGHSSUWODPDNR-KRWDZBQOSA-N 300.427 3.393 0 40 DGAB CCOC(=O)c1nocc1C(=O)c1cccc(C(F)(F)F)c1 1391560 LWGCTTSMGKTGHF-UHFFFAOYSA-N 313.231 3.101 0 40 DGAB Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1cccc(F)c1 1395135 ACGGPJDADCTBAC-UHFFFAOYSA-N 317.751 3.183 0 40 DGAB CCCCOc1ccc(CS[C@H](CC(=O)O)C(=O)O)cc1 1785935 JPOAUGJNFIWTJB-CYBMUJFWSA-N 312.387 3.027 0 40 DGAB Cc1nc(C(=O)NCc2cccnc2)cc2c1[nH]c1ccccc12 2125477 CVNHGPIVIJJMPQ-UHFFFAOYSA-N 316.364 3.350 0 40 DGAB biogenic CC(C)(C)C(=O)COC(=O)/C=C/c1ccc(Br)o1 3239083 AVDJYDSBLBIIAE-FNORWQNLSA-N 315.163 3.214 0 40 DGAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@@H](C)C(C)C)cc1 3563363 RUVNCLLZNLVQDG-AWEZNQCLSA-N 321.417 3.039 0 40 DGAB Clc1ccc(-c2[nH]ncc2-c2nnnn2-c2ccccc2)cc1 5280040 QRQWHYYDBDZALK-UHFFFAOYSA-N 322.759 3.373 0 40 DGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@H]4CCCO4)cc3c2C1 6601503 ZNMNJFOICMRSPE-TZMCWYRMSA-N 312.413 3.202 0 40 DGAB CNC(=O)CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12 6673720 KTVZFXUYAPWGGA-UHFFFAOYSA-N 311.360 3.438 0 40 DGAB CCCCCNC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C 6779543 DYIQYMYKAXCDQR-HNNXBMFYSA-N 324.852 3.401 0 40 DGAB O=c1[nH]c(COc2nc3ccccc3s2)nc2ccccc12 7496299 NTXRKWQYXNVQKP-UHFFFAOYSA-N 309.350 3.112 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cc(C)nc3ccccc23)cc1 7779390 BYMRPIPCDWTEBQ-UHFFFAOYSA-N 319.364 3.155 0 40 DGAB COc1ccc(NC(=S)NCCc2ccccc2)c(OC)c1 8686061 BOIDYUFUYAGDJV-UHFFFAOYSA-N 316.426 3.233 0 40 DGAB CC(C)[C@@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 8748666 FPHHCCMWFUGROR-WDEREUQCSA-N 307.365 3.055 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)c1ccc2[nH]cnc2c1 8778779 ZTPLMUGPBMAVKS-UHFFFAOYSA-N 303.268 3.417 0 40 DGAB CCn1c(NC(=O)c2ccc3c(c2)OCCO3)nc2ccccc21 9115129 SFTVODDBHAAYBS-UHFFFAOYSA-N 323.352 3.080 0 40 DGAB O=C(Cc1ccc(Cl)cc1)Nc1ccc2c(c1)CCC(=O)N2 9134339 IXNSIRWZAMZIBK-UHFFFAOYSA-N 314.772 3.406 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 9679657 BQMRRPWFNIPMJT-CYBMUJFWSA-N 324.384 3.245 0 40 DGAB CCOc1ccc(C(=O)OCC(=O)c2ccccc2)cc1OC 10003059 LSVIZNNCWUQDTQ-UHFFFAOYSA-N 314.337 3.134 0 40 DGAB C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)Cc1ccco1 11230757 XFNYHWUTRUNIAG-LLVKDONJSA-N 324.327 3.340 0 40 DGAB CC(C)[C@H](NC(=O)C1Oc2ccccc2O1)c1cccs1 12200482 CTARTNMKHOMICT-AWEZNQCLSA-N 303.383 3.359 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cn(C)c3ccccc23)c1 12515506 SVEFNJOQSYGRQV-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131342 ZYCRFNBVBFCKCD-HZPDHXFCSA-N 323.375 3.454 0 40 DGAB O=C(OCc1cc(-c2ccco2)on1)c1ccc2nccnc2c1 18974546 LTCXBQSNGRLTOX-UHFFFAOYSA-N 321.292 3.235 0 40 DGAB CC[C@@H]1Oc2ccc(N)cc2N(Cc2ccccc2F)C1=O 19954191 VNHYIXSHEGQDOH-HNNXBMFYSA-N 300.333 3.112 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2nncs2)cc1 21214992 WXUWNIGWIXMUSZ-UHFFFAOYSA-N 320.374 3.137 0 40 DGAB CCN1CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1 23247108 ZMVDXSGSLCNQQK-UHFFFAOYSA-N 322.452 3.373 0 40 DGAB O=C(C[C@H]1Sc2ccc(Cl)cc2NC1=O)NCC1CCC1 26142151 JZHZHYWCLCOFCE-CYBMUJFWSA-N 324.833 3.059 0 40 DGAB Cc1cc(C)c(NC(=O)CSc2nc(C)n[nH]2)c(Cl)c1 26154636 ZKCRSZPBXMVOHJ-UHFFFAOYSA-N 310.810 3.114 0 40 DGAB Cc1ccsc1C(=O)NC[C@@H]1CCN(c2ccccc2)C1 27846496 DSYJPPXTRKRNQX-AWEZNQCLSA-N 300.427 3.313 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)c1ccc(Br)s1 33207090 ZWTNNGZZPJMQSX-QMMMGPOBSA-N 314.204 3.465 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)Nc2nc(C)cs2)c1 33229156 LBBWKAOYKKCIIB-NSHDSACASA-N 306.387 3.004 0 40 DGAB CS[C@@H](C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 33231170 JAFQQUBIDQQSJD-NSHDSACASA-N 303.431 3.020 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H]2CCOc3ccccc32)c(C)c1 39975953 PPTMWFWDUBPKGS-MRXNPFEDSA-N 311.381 3.322 0 40 DGAB CCCSc1nnc(NC(=O)COc2cccc(C)c2)s1 39989122 ZQLNFFNRIFHAJK-UHFFFAOYSA-N 323.443 3.366 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@H](C)c2ccccc2)n1 40515628 LZUGWYHJRDGKOL-CYBMUJFWSA-N 301.390 3.393 0 40 DGAB CC(C)c1noc(CCCC(=O)NCc2ccc(Cl)cc2)n1 40515630 SEDKSDBOOUMODV-UHFFFAOYSA-N 321.808 3.486 0 40 DGAB COc1ccc([C@H](NC(=O)NCc2ccoc2)C2CC2)cc1 45317975 WZKVIZXHVYDZAI-MRXNPFEDSA-N 300.358 3.239 0 40 DGAB O=C(NCc1nc(C2CC2)no1)Nc1ccc(F)cc1Cl 47335232 VERCVADIOPWZRB-UHFFFAOYSA-N 310.716 3.061 0 40 DGAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)N1CCOCC1 47788573 PPHNGDTWPARHEQ-UHFFFAOYSA-N 323.396 3.245 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)NC1CCCCC1 52817015 YKVRPXCFKZSQJK-UHFFFAOYSA-N 315.461 3.414 0 40 DGAB Cc1nc(CCNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cs1 56359744 YAOUPTDKJAUQEJ-VXGBXAGGSA-N 320.380 3.479 0 40 DGAB O=C(Nc1nccn1CC1CC1)c1ccccc1Br 58162181 XCQHJCFBHPTRJO-UHFFFAOYSA-N 320.190 3.308 0 40 DGAB COCCNc1ccc(CNC(=O)Nc2ccc(C)cc2)cc1 58332972 PXYJHMVUKGLQJZ-UHFFFAOYSA-N 313.401 3.375 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1cnn(Cc2ccccc2)c1 58416433 QISGGHLTVFHGLY-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB CCc1ccc(-c2[nH]c(=O)cc3c2[C@@H](SC)N(C)C3=O)cc1 62716503 WJIKCSOAWVQNCQ-QGZVFWFLSA-N 314.410 3.052 0 40 DGAB O=C(CCc1ccc(OC(F)(F)F)cc1)NCc1cccnc1 66266981 PSMFIDUHBUTPQX-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB CCO[C@@H](C)C(=O)Nc1cc(-c2cc(Cl)ccc2OC)n[nH]1 69416436 HCAWORHUBKQWEL-VIFPVBQESA-N 323.780 3.102 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)CC(C)C)co2)cc1 69451419 CNDRXWIHARIFHI-UHFFFAOYSA-N 302.374 3.055 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cn2ccnc2)o1 69776916 JTBLRLDWJCVRCA-UHFFFAOYSA-N 307.353 3.265 0 40 DGAB CC(=O)c1cccc(NC(=O)CS[C@H](C)c2nc(C)no2)c1 70012266 DRYOXJINFGHHIW-SNVBAGLBSA-N 319.386 3.014 0 40 DGAB O=C(CCc1ccccc1)NCC1CCN(c2ccncc2)CC1 70928379 VNTZKQSYSBNNSC-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB COCCN(C)C(=O)N[C@@H](C)c1oc2ccc(OC)cc2c1C 71882577 VCAUCGPFOKGDGT-LBPRGKRZSA-N 320.389 3.099 0 40 DGAB Cc1nc(CC(=O)N[C@H](c2ccc(F)cc2)C2CC2)cs1 71888161 KSKZNHMZXWMQFV-INIZCTEOSA-N 304.390 3.401 0 40 DGAB Cc1occc1C(=O)N1CCC([C@H](O)c2ccc(F)cc2)CC1 71888499 DTEXMTIQUOUENY-QGZVFWFLSA-N 317.360 3.313 0 40 DGAB CCc1ccsc1C(=O)NCCc1nc2ccccc2n1C 71907609 BQDXKCXQJNXHSH-UHFFFAOYSA-N 313.426 3.170 0 40 DGAB CCn1nc(C)c2nc(C(C)C)nc(NCCc3ccccn3)c21 72238363 PLQNYVXLXQSHEH-UHFFFAOYSA-N 324.432 3.328 0 40 DGAB Cc1c(C(=O)O[C@H](C)C(F)(F)F)cnn1-c1ccccc1F 72305086 JFXFWYCKLQKNEK-SECBINFHSA-N 316.254 3.427 0 40 DGAB CC(C)c1cc(C(=O)NCc2cccnc2)n(-c2ccccc2)n1 72404866 QJNLKDWQNVSXGO-UHFFFAOYSA-N 320.396 3.321 0 40 DGAB O=C(COc1ccc(Cl)cc1)NC[C@H]1COc2ccccc21 74913568 UUTXUVILWCGXAK-LBPRGKRZSA-N 317.772 3.011 0 40 DGAB CCCN(C(=O)c1cnccn1)[C@H]1C[C@H](OCC)C12CCCC2 76019350 RQUAUXRTKUOOQO-HOTGVXAUSA-N 317.433 3.067 0 40 DGAB Cc1cc(CN[C@H](CC(=O)N(C)C)c2ccccc2)ccc1F 78552369 XEPRKJGRFHBHBK-GOSISDBHSA-N 314.404 3.443 0 40 DGAB Cc1nc(CSCc2nc(N)c3ccccc3n2)cs1 78555654 UHTAQZNFSKVRQE-UHFFFAOYSA-N 302.428 3.410 0 40 DGAB Cc1cc(=O)c(C(=O)OCc2nc(-c3ccccc3)oc2C)c[nH]1 78999518 QAFMJDUEPTZJJL-UHFFFAOYSA-N 324.336 3.004 0 40 DGAB CC(=O)N1CCC(C(=O)N2CCCC3(CCCCCC3)C2)CC1 81304726 FLFWCRFLCOJBMB-UHFFFAOYSA-N 320.477 3.208 0 40 DGAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ncc(Cl)s1 81738464 PDXGBUPZYYRDRL-UHFFFAOYSA-N 320.752 3.186 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cc(CO)ccc2C)cc1F 84185536 WTKSJKJJUQNLEY-SOFGYWHQSA-N 315.344 3.287 0 40 DGAB Brc1ccc(-c2noc(CCc3ccccn3)n2)o1 84609967 MZWPUJRAGXOMNR-UHFFFAOYSA-N 320.146 3.272 0 40 DGAB CC(C)c1noc(N[C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)n1 84631150 VLRCBPANEGNEOX-RYUDHWBXSA-N 324.425 3.298 0 40 DGAB CCn1nc(C)c(CNc2cncc(Br)c2)c1C 89300193 JURULCVPROIHFA-UHFFFAOYSA-N 309.211 3.289 0 40 DGAB c1ccc2c(OCCN3CCC(n4ccnn4)CC3)cccc2c1 89873257 IIEYGJHDEFTVCJ-UHFFFAOYSA-N 322.412 3.147 0 40 DGAB CC(C)CC1(CNC(=O)c2cnc(-c3ncccn3)s2)CC1 95965012 NCYYINPOEQXOFM-UHFFFAOYSA-N 316.430 3.156 0 40 DGAB Cc1nn(C)c2sc(C(=O)N(C3CCCC3)C3CC3)cc12 96402298 WIKYLXCOHMQTES-UHFFFAOYSA-N 303.431 3.490 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@H]4CC=CC[C@@H]4C3)c12 96423500 SVJWYNPMXDKXJY-ZIAGYGMSSA-N 323.396 3.447 0 40 DGAB CCc1nc2cc(NC(=O)N3CCOC[C@H]3CC)ccc2o1 96434970 AIZDGQZOBWFWMU-GFCCVEGCSA-N 303.362 3.033 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cc(C)on1)[C@H](C)C2 96500404 ZVVWPGMHNBXGAL-SJKOYZFVSA-N 313.401 3.366 0 40 DGAB CC[C@H]1C[C@H](C(=O)Nc2ccnn2Cc2ccsc2)CCO1 97053265 XYTPOAKOMKLVGL-KGLIPLIRSA-N 319.430 3.137 0 40 DGAB CCN(C[C@@H]1CCN(c2cccc(C)n2)C1)CC(F)(F)F 97163347 AXXHAOQKZDIJHB-ZDUSSCGKSA-N 301.356 3.101 0 40 DGAB Cc1cn2c(n1)CC[C@@H](NC(=O)c1cc3ccccc3s1)C2 97198184 PPSLUYCHGQHZFK-CYBMUJFWSA-N 311.410 3.151 0 40 DGAB CC(C)c1nnc2n1C[C@H](NCc1c(F)cccc1Cl)CC2 97199358 MKTFYOKLZLXRTK-LLVKDONJSA-N 322.815 3.299 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 98211213 BYSROMQJDFJYPZ-LBPRGKRZSA-N 306.410 3.077 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 100015793 GTBQVLOYUBQHEV-HOTGVXAUSA-N 302.418 3.270 0 40 DGAB CC(C)c1ccc2c(c1)s/c(=N\C(=O)c1ccno1)n2C 101121023 IHLZPNNXIUQXAV-ICFOKQHNSA-N 301.371 3.092 0 40 DGAB Clc1ccccc1[C@H]1C=C(c2cccs2)Nc2nnnn21 101302981 DKFMOQYJMITLSR-GFCCVEGCSA-N 315.789 3.444 0 40 DGAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2C)cc1 113948441 QNFOFSJWWWCPEH-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB CCN(C(=O)COc1ccc(F)cc1Cl)c1ccncc1 117665990 JPDLBCXRRHYPQK-UHFFFAOYSA-N 308.740 3.306 0 40 DGAB CC1(C)CN(C(=O)OC(C)(C)C)CC(=O)N(c2ccccc2)C1 212421239 MQOGVSUUHVZKJM-UHFFFAOYSA-N 318.417 3.297 0 40 DGAB Cc1ccc(OCC(=O)n2c(C)c(CO)c3ccccc32)cc1 216720857 SQSZDCYKCURZJB-UHFFFAOYSA-N 309.365 3.470 0 40 DGAB CCSc1nc(N2CCCC2)c2cc(C(=O)O)sc2n1 217692465 LKPICTGPVXYDHX-UHFFFAOYSA-N 309.416 3.102 0 40 DGAB CC(C)n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C 222748886 UPTNKTAJSWSRIP-HUUCEWRRSA-N 300.431 3.066 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1ccc2c(c1)CCC2 223257089 ITCSRZRKBORCEI-ZDUSSCGKSA-N 323.392 3.438 0 40 DGAB COc1ccc(NC(=S)NCc2ccncc2)cc1Cl 225333243 SBQDCEFHZOZDSO-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB O=C(NCC[C@@H](O)c1cccc(Cl)c1)c1cc(C2CC2)on1 225609992 CSVRTTWXRAPERT-CQSZACIVSA-N 320.776 3.059 0 40 DGAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)cc1 225636918 PIEJPPRDVWPXEM-KBXCAEBGSA-N 321.417 3.246 0 40 DGAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225838382 CWQAUALPDJDKJX-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB Clc1ccc(I)c(Br)n1 238594623 TXAJPIGAKVLANY-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCO[C@@H]1CCCC[C@H]1C 252476749 AVSZIITZOAKFPG-TYNCELHUSA-N 323.437 3.247 0 40 DGAB CCOC(=O)c1ccc(Cn2cc(-c3ccccc3)oc2=O)cc1 255189510 QHFSPNGWHXIOCN-UHFFFAOYSA-N 323.348 3.333 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(C(C)C)C2)n1 257250630 JNJCEOVOFGZEFW-GFCCVEGCSA-N 303.435 3.183 0 40 DGAB Cn1cnc(CN2CC[C@@H](Cc3ccnc4ccccc34)C2)c1 257284862 PEQKWAVKXRZRLM-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB CC(=O)c1ccc(NC(=O)N2CCO[C@@H](C(C)(C)C)C2)cc1 279091475 IGHZFJFTAGDBDY-OAHLLOKOSA-N 304.390 3.168 0 40 DGAB Cc1cncc(C(=O)N[C@@H]2c3ccccc3CC23CCOCC3)c1 291924987 OTGKLZHMXHZGSX-GOSISDBHSA-N 322.408 3.214 0 40 DGAB Cc1ccccc1[C@H](CO)N[C@H]1CCC[C@H](c2ccnn2C)C1 579313814 SFGZCAJXQWSGJJ-BQFCYCMXSA-N 313.445 3.078 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccc(Br)cn1 61907 NFKCXWNXWWCWLQ-RMKNXTFCSA-N 303.159 3.496 0 40 DGAB CCOC(=O)[C@@H](CC)Oc1ccc2c3c(c(=O)oc2c1)CCC3 93539 GKTZDMAVEZDRGZ-OAHLLOKOSA-N 316.353 3.002 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1ccccc1C(=O)O 98226 LXSDGQYDSDIUPN-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB in-vivo COc1cc(C=O)ccc1OCC(=O)Nc1cc(C)ccc1C 261789 ADUKCNWKDDJUMI-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB O=C(O)CCc1cc(Br)sc1Br 334178 NQBVJBLOBCBRDY-UHFFFAOYSA-N 313.998 3.290 0 40 DGAB O=C(NCc1cccnc1)c1cc(-c2ccccc2Cl)on1 815161 MRPYHLKCZQDFRY-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB Cc1ccc(C(=O)CN2C(=O)[C@@H](C)Oc3ccc(C)cc32)cc1 1328353 OXTIQLDDOUXDRO-CQSZACIVSA-N 309.365 3.300 0 40 DGAB Cc1ccnc(N2CCC[C@H](C(=O)Nc3ccc(C)c(C)c3)C2)n1 1358058 ANLJYUKVTULJNV-INIZCTEOSA-N 324.428 3.257 0 40 DGAB Cc1cc(C(C)(C)C)oc1C(=O)OCC(=O)NC1CCCCC1 1361185 BHRADGWITKMVJU-UHFFFAOYSA-N 321.417 3.491 0 40 DGAB CCOC(=O)Oc1ccc(C(=O)NCCC(C)C)cc1OCC 1747324 JCZKJGVQKMDHSV-UHFFFAOYSA-N 323.389 3.397 0 40 DGAB O=C(O)CCCCC(=O)Nc1nc(-c2ccccc2)cs1 1889989 KBUYUWKKJIQILN-UHFFFAOYSA-N 304.371 3.394 0 40 DGAB CCS(=O)(=O)Oc1ccc2cc(Br)ccc2c1 2069558 SDGPZGZGPGAURU-UHFFFAOYSA-N 315.188 3.331 0 40 DGAB CCO[P@](=O)(C(NC(C)=O)=C(Cl)Cl)c1ccccc1 3109702 SGQKTZOUCXHAMI-IBGZPJMESA-N 322.128 3.367 0 40 DGAB COc1ccc(NC(=O)CC(=O)CSc2ccccc2)cc1 3118255 IMHRLIFYKQUXHU-UHFFFAOYSA-N 315.394 3.385 0 40 DGAB Cc1cc(C)cc(C(=O)N(C)CC(=O)Nc2ccc(F)cc2)c1 3337097 NYKBUAKGGICMTO-UHFFFAOYSA-N 314.360 3.153 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104649 GJIBJVBLAWRXQL-YMTVXDNUSA-N 316.441 3.448 0 40 DGAB biogenic,in-vitro O=C([C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1)N1CCCCCC1 4976717 NNHRXJYMWAPREO-CYBMUJFWSA-N 320.820 3.096 0 40 DGAB O=C(Nc1c(C(=O)O)[nH]c2ccc(F)cc12)NC1CCCCC1 4981397 GDLQJYWBJRZXSJ-UHFFFAOYSA-N 319.336 3.459 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(c2ccc(F)cc2)=NO1)c1ccccc1 5029909 CSBOPSYQDDROIM-PXAZEXFGSA-N 312.344 3.196 0 40 DGAB CCC(=O)Oc1ccccc1/C=C1\N=C2CCCCCN2C1=O 5072391 AQSMCXASKFFJSH-OWBHPGMISA-N 312.369 3.158 0 40 DGAB Cn1c(NC(=O)c2cc(-c3ccccc3)on2)nc2ccccc21 6276434 QUMPFPFXRXRYJR-UHFFFAOYSA-N 318.336 3.481 0 40 DGAB O=S1(=O)N=C(SCc2ccc(F)cc2)Nc2ccccc21 6918562 NVMSFIVXTJVPIV-UHFFFAOYSA-N 322.386 3.229 0 40 DGAB CCOC(=O)c1cccc(NC(=S)NCc2ccccc2)c1 7368996 REFJXTWJLAJZQH-UHFFFAOYSA-N 314.410 3.350 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N(C)Cc2ccco2)c1C 7523709 WTGJPDPZSJEVKI-LBPRGKRZSA-N 302.374 3.130 0 40 DGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)cc1 7696753 VWWMDRVYIIXXAU-UHFFFAOYSA-N 309.344 3.284 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2ccccc2OC)cc1 7871766 XGWMTJHJPQZABK-JLHYYAGUSA-N 311.381 3.376 0 40 DGAB Cc1cc(C)nc(Nc2cccc(OC(=O)c3ccncc3)c2)n1 8017622 WIKZSTFPOYYFJD-UHFFFAOYSA-N 320.352 3.451 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C 8919588 PLBFBPIUZVCZEL-LBPRGKRZSA-N 303.189 3.093 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1cccc(F)c1)c1ccccc1 9156595 ZRMCXOJTBHYPAS-MRXNPFEDSA-N 309.344 3.079 0 40 DGAB COc1ccccc1C(=S)N1CCN(c2ccccc2)CC1 9189291 UUGSZZKPMUVGJD-UHFFFAOYSA-N 312.438 3.193 0 40 DGAB COc1ccc(-c2csc(NC(=O)CSC)n2)cc1F 9453416 ONOLDRMVXJTZGE-UHFFFAOYSA-N 312.391 3.259 0 40 DGAB O=C(Cn1c(-c2cccs2)cc2cccnc21)N1CCCC1 12118254 CCGVQFFGTMVNAT-UHFFFAOYSA-N 311.410 3.387 0 40 DGAB COc1cccc([C@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 12469274 AMNRSUAQXLGNAK-IAGOWNOFSA-N 306.369 3.433 0 40 DGAB CC(C)CNC(=O)Cn1c(SC(C)C)nc2ccccc21 12537997 YDRZMDSYGUSTFN-UHFFFAOYSA-N 305.447 3.309 0 40 DGAB COc1cccc(NCc2cc3cc(OC)ccc3[nH]c2=O)c1 12566071 HZDHQUOSZCGZKY-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB C[C@H](c1cc(O)n2nc(-c3ccc(F)cc3)cc2n1)n1ccnc1 19458212 SLQJWNYYFLWPAT-LLVKDONJSA-N 323.331 3.047 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)CC[C@]34C)[C@@H]1CCC2=O 19943608 IUNYGQONJQTULL-DVHZXHDHSA-N 304.430 3.138 0 40 DGAB CNC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 20120146 FCNHYQNURZBEOG-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB CSc1ccc(CCNC(=O)c2noc3c2CCCC3)cc1 20275286 JXFNDKSYRGUOTP-UHFFFAOYSA-N 316.426 3.248 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)NCCCN1CCCCC1 20452514 ZUICKBPOESAAAK-INIZCTEOSA-N 318.461 3.009 0 40 DGAB CCOc1ccc2nc(NC(=S)NC(=O)C(C)C)sc2c1 21596325 QUCPFCSWRSSROT-UHFFFAOYSA-N 323.443 3.164 0 40 DGAB Cc1nc2c3ccccc3nc(SC[C@@H]3CCCCO3)n2n1 22284962 FBXIBGOCXSMUGN-LBPRGKRZSA-N 314.414 3.247 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@H](C)Oc1ccc(C)cc1 22520304 CWUVZJKQTIEDJJ-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB Cc1nc(NC(=O)[C@@H](C)OC(=O)c2cccs2)sc1C 22737025 HZKNKPISDJLVMP-MRVPVSSYSA-N 310.400 3.005 0 40 DGAB CC(=O)NCc1ccc(C(=O)N(C)[C@@H](C)c2cccs2)cc1 24236492 RTPONLXIZNWRSK-LBPRGKRZSA-N 316.426 3.217 0 40 DGAB O=C(C[C@H]1C=CCC1)NCc1ccc(Br)s1 25473530 NESVHRSARNCOBN-VIFPVBQESA-N 300.221 3.483 0 40 DGAB CCc1nnsc1C(=O)NC[C@@H](c1ccccc1)C(C)C 27629430 BLIWULFUJKPPAU-CYBMUJFWSA-N 303.431 3.270 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H]2OCCc3ccccc32)cc1C 28285640 HYVXJXPAZRIRMW-GOSISDBHSA-N 309.365 3.450 0 40 DGAB COc1ccc2cc([C@@H](C)C(=O)NC[C@H]3CCCO3)ccc2c1 32716563 IWBRVNVVGSNMEX-FZKQIMNGSA-N 313.397 3.247 0 40 DGAB COc1cccc(C(=O)OCCOc2ccccc2Cl)c1O 32910995 SBTAFVYUUJHTGA-UHFFFAOYSA-N 322.744 3.290 0 40 DGAB Cc1cc(C)c(C)c(S(=O)(=O)N(C)CC(F)(F)F)c1C 32923821 UVZFOFFRTOSXSV-UHFFFAOYSA-N 309.353 3.103 0 40 DGAB O=C(NCCCc1ccccc1)[C@@H]1CCCN1Cc1ccccc1 40158579 GOHSLVRYHIFWIE-FQEVSTJZSA-N 322.452 3.400 0 40 DGAB CC(C)c1noc(CN(Cc2cccs2)C[C@H]2CCCO2)n1 40489622 KVAZTKHOSZSLPA-CYBMUJFWSA-N 321.446 3.436 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)c1csc(-c2cccs2)n1 45448357 UCKVVFYIBSLBSV-VHSXEESVSA-N 308.428 3.121 0 40 DGAB CCCc1ccc(-c2cc(NC(=O)c3cnccn3)[nH]n2)cc1 47289255 LHIIQVWBYWTZHX-UHFFFAOYSA-N 307.357 3.072 0 40 DGAB COc1ccc(CNC(=O)Nc2ccccc2-n2cccn2)cc1 48152309 VRBGYBAXQCDKGQ-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB CCN1C[C@@H](C(=O)Nc2ccccc2-c2cccs2)CC1=O 48345846 JYPPLAWMUGTMSF-LBPRGKRZSA-N 314.410 3.222 0 40 DGAB CSc1ccccc1NC(=O)[C@H](NC(C)=O)C1CCCC1 53458763 MPGLUNFNOVSEOZ-OAHLLOKOSA-N 306.431 3.042 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=O)COc1ccccc1F 55694388 MHNFQNFDOYNYFN-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 55944816 MIYDBDQDTYXGMC-CVEARBPZSA-N 303.333 3.377 0 40 DGAB Cc1c2c(cc3c4c(c(=O)oc13)CCCC4)CN(C1CC1)CO2 57134939 RAKWLCZIBSVUHG-UHFFFAOYSA-N 311.381 3.295 0 40 DGAB CN(c1ccc(C(=O)NC2=NCCS2)cc1)C1CCCCC1 58266846 RYIYTZZFZJDVQP-UHFFFAOYSA-N 317.458 3.288 0 40 DGAB CCN(CCNC(=O)c1cc(C)cc(C)c1)C(=O)OC(C)(C)C 58390624 WYHCOKZIMYSQQD-UHFFFAOYSA-N 320.433 3.290 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)/C=C/c2ccsc2)c1C 58958436 NFPCITXTTXPBII-AATRIKPKSA-N 316.426 3.440 0 40 DGAB O=C(Cc1nnc(-c2ccsc2)o1)Nc1ccccc1F 62007278 YGMIYKVHIKXGBR-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB CC(C)[C@@H](Sc1ncc(-c2ccc(F)cc2)[nH]1)C(=O)N(C)C 65724582 YJEOEPBEDFJZEX-CQSZACIVSA-N 321.421 3.421 0 40 DGAB COc1c(C)cc(CNC[C@@H](O)c2ccc(F)cc2)cc1C 67186148 AIUXOAWEEWOPDO-QGZVFWFLSA-N 303.377 3.274 0 40 DGAB COc1cccc(CN[C@@H](C)[C@@H](C)n2cccn2)c1OC(C)C 69368894 RCSSSUHYGBSBJY-LSDHHAIUSA-N 317.433 3.418 0 40 DGAB O=C(CCc1ccc(Cl)s1)N[C@H]1CCN2CCCC[C@H]12 69414704 YMLXGAZDSCTJJG-QWHCGFSZSA-N 312.866 3.077 0 40 DGAB CCN(CC)C(=O)c1cnc(Sc2nccn2C)c(Cl)c1 69416896 LGOHMBRWKQIPCP-UHFFFAOYSA-N 324.837 3.102 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)CCC(C)C)co2)cc1 69456163 PTDUBIKELKYYHU-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB O=C(NCC(F)(F)F)[C@H](OC1CCCC1)c1ccccc1 71185162 AOQOMRWVOPMCAH-CYBMUJFWSA-N 301.308 3.365 0 40 DGAB Cc1cc(F)ccc1NC(=S)Nc1ccc(C(N)=O)cc1 71761163 XYKMGXBOTPDNML-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB Cc1noc([C@H](C)[S@@](=O)Cc2ccc(F)cc2Cl)n1 71888552 DAVHKSKFLMQWIY-ZDVLTJLQSA-N 302.758 3.180 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1cnc2cc(C)ccn12 72298384 JYDSPZBDUANGIC-INIZCTEOSA-N 309.417 3.026 0 40 DGAB COC(=O)C1CCN(C(=O)c2ccccc2SC(C)C)CC1 72498134 NUTDKNYQASYKCR-UHFFFAOYSA-N 321.442 3.212 0 40 DGAB CCCc1noc(CN2CCCc3c(C)ccc(OC)c32)n1 72603444 QXMCZWYBDLYGLZ-UHFFFAOYSA-N 301.390 3.292 0 40 DGAB Cc1ccc([C@H]2CSCCN2Cc2nnsc2Cl)o1 76011340 DTKMAXPYMVXEMO-SNVBAGLBSA-N 315.851 3.383 0 40 DGAB Cc1cccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)c1C 76057618 OYPCQRXTAUCZHO-YJBOKZPZSA-N 302.462 3.286 0 40 DGAB CCOCCn1c([C@H]2CCCN2C(=O)CC)nc2ccccc21 76556345 OGWOLAWMCIRORQ-MRXNPFEDSA-N 315.417 3.146 0 40 DGAB Cc1cc(NCCOc2cccc3ccccc23)n2ncnc2n1 76871523 MYQOKLLNKSKLIP-UHFFFAOYSA-N 319.368 3.077 0 40 DGAB C[C@H](CO)NC(=O)c1ccc(NCc2ccc(Cl)s2)cc1 79016796 JLESCYBRHXJUDU-SNVBAGLBSA-N 324.833 3.124 0 40 DGAB Cc1ccc(F)c(C(=O)Nc2cn(C)nc2C(F)(F)F)c1 89611956 LAJTWPXZCJETMZ-UHFFFAOYSA-N 301.243 3.139 0 40 DGAB Cc1ccc(CCC(=O)N(C[C@H]2CCCO2)[C@H]2CCSC2)o1 89652887 DLIZTGCCKMAYRS-GOEBONIOSA-N 323.458 3.034 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)[C@H]1CCCC[C@@H]1C(F)(F)F 89885435 PLMGAOHVVBHDNQ-SRVKXCTJSA-N 321.364 3.266 0 40 DGAB C[C@H]1C[C@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 89920326 JRDBICHPJLHHPH-JSGCOSHPSA-N 314.351 3.108 0 40 DGAB CSc1nc(Cl)cc(N2CCN(c3ccccc3)CC2)n1 91302226 YARBVAPXJFLUHH-UHFFFAOYSA-N 320.849 3.179 0 40 DGAB Fc1cc(F)cc(CN2CCC(OC[C@H]3CCCO3)CC2)c1 92661242 FAFGKZSENBDJOI-QGZVFWFLSA-N 311.372 3.125 0 40 DGAB c1cc(O[C@H]2CCN(Cc3cnc(C4CCC4)s3)C2)ccn1 93866242 GJVSTLFWROBTLT-HNNXBMFYSA-N 315.442 3.459 0 40 DGAB CC[C@@H](NC(=O)c1nc(-c2ccco2)sc1C)c1ncc[nH]1 95945570 APQYOKQNLHZUBO-SNVBAGLBSA-N 316.386 3.316 0 40 DGAB COc1ccc([C@@H]2CCCN2c2cc(=O)n3ccccc3n2)cc1 95946858 TUVRJKYGYLLGAF-INIZCTEOSA-N 321.380 3.045 0 40 DGAB C[C@@H](O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 95979959 AMOKGICYSAXKJQ-GFCCVEGCSA-N 308.337 3.346 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)N1C[C@H]2CC=CC[C@@H]2C1 96433801 OVADCFMNSKCNHT-ZIAGYGMSSA-N 314.385 3.278 0 40 DGAB O=C([C@@H]1CCCO[C@@H]1c1ccccc1)N1CCc2cnccc21 97084714 LHLBPJPRPWLIPA-SJLPKXTDSA-N 308.381 3.139 0 40 DGAB COc1ccc(C)c(NC(=O)NCCC[C@@H]2CCCCO2)c1 97138307 YQGZLWFGEQHIQZ-AWEZNQCLSA-N 306.406 3.474 0 40 DGAB O=C(C[C@H]1CCCN1C(=O)Cc1cccc(O)c1)c1ccccc1 97236721 JZMUSQOICNOMHE-QGZVFWFLSA-N 323.392 3.199 0 40 DGAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(C)no2)cc1 98014127 AQDXOGLDFBLWAL-NVXWUHKLSA-N 314.385 3.189 0 40 DGAB Cc1ccc(-n2nnnc2/C=C\Nc2cc(C(C)(C)C)on2)cc1 100662126 RQWPHUWAHATDGQ-KTKRTIGZSA-N 324.388 3.339 0 40 DGAB CCN1CCN(C(=O)C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)CC1 101437912 FPKIVQBNPXQCGW-KNCVXQGMSA-N 304.478 3.147 0 40 DGAB Cc1ccnc(/N=c2\scc(-c3ccc(O)cc3O)n2C)c1 101716205 YUPWNXFWVKCAPR-VLGSPTGOSA-N 313.382 3.101 0 40 DGAB O[C@@H]1C[C@@H](C2CCCCC2)N(c2nccc(C(F)(F)F)n2)C1 106799940 BASSHEHFAYGWFG-NEPJUHHUSA-N 315.339 3.015 0 40 DGAB O=C(NCCCc1cccc(F)c1)N[C@H]1CCO[C@@H](C2CC2)C1 122115929 DOEJYFVKSYGJSB-DLBZAZTESA-N 320.408 3.015 0 40 DGAB CC(=O)Nc1sc2c(c1C(=O)Nc1cccnc1)CCCC2 150040698 KTFYVUAFZNKVNX-UHFFFAOYSA-N 315.398 3.233 0 40 DGAB CC(C)Oc1ccc(CNC(=O)Cc2ccccc2F)cc1 225446808 CASZRUXNMDPUIM-UHFFFAOYSA-N 301.361 3.472 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(N(C)C)c(N)c2)c1 226267843 KWJPOZDCGFBXOD-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C1 226749254 ZFDJCLMJJJVDBJ-SNUQEOBHSA-N 318.392 3.213 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](O)c1ccccc1Br 238170756 OJMJWJFIGOWFLB-NSHDSACASA-N 316.195 3.007 0 40 DGAB C[C@H](NC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F 252587408 YBCJOEIPGUGILT-GSRNSYJJSA-N 322.243 3.006 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N2CCC[C@@H](c3ccccc3)C2)CC1 257226891 FMQDMQUOYGUJQW-KBAYOESNSA-N 300.446 3.158 0 40 DGAB O=C(c1ccccc1)N1CCCC[C@@H]2NC[C@@H](c3ccccc3)[C@@H]21 257316589 VGEVSZAYVIBMCB-UFYCRDLUSA-N 320.436 3.437 0 40 DGAB O=C(COc1cccnc1)N[C@@H]1[C@@H]2CCC[C@@H]2[C@@H]1c1ccccc1 409412771 BMHZSLIFIFQJAZ-KVPLUYHFSA-N 322.408 3.159 0 40 DGAB Cc1cnn(C[C@H]2CN(C[C@@H]3CCCC(C)(C)C3)CCO2)c1 539836273 XSOJVJKCCBRDGI-IAGOWNOFSA-N 305.466 3.109 0 40 DGAB Fc1ccc(CN2CCC3(C2)Oc2ccccc2O3)cc1F 563913497 MPKWLGMFLNMNCB-UHFFFAOYSA-N 303.308 3.338 0 40 DGAB Cc1cccc(C(=O)N2CC3(C[C@@H](OCC4CC4)CS3)C2)c1 575404633 SQLHNUZVXZHFKP-MRXNPFEDSA-N 317.454 3.122 0 40 DGAB CCOc1ccc(CC(=O)N2CCC3(CC2)CC3(F)F)cc1 650600106 QPDQFJSUZSCGKH-UHFFFAOYSA-N 309.356 3.276 0 40 DGAB CCOc1cnc(C(=O)N2c3ccc(Cl)cc3C[C@@H]2C)cn1 1515041041 LFWNLFUIKWIGHH-JTQLQIEISA-N 317.776 3.120 0 40 DGAB C[C@]1(CC(=O)Nc2ccccc2)NN=C(c2ccccc2)S1 35018 DVLLRPBJIFGJJJ-KRWDZBQOSA-N 311.410 3.430 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1cc(Cl)cc(Cl)c1 141871 FCFUHAFBQPTWQO-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB CCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)O[C@@H](C)CC)cc1 182136 KTWLLTABJLSWTN-MEDUHNTESA-N 316.401 3.219 0 40 DGAB CCOC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 1420915 HCJLEZTVKQZXOE-UHFFFAOYSA-N 304.346 3.308 0 40 DGAB CCOC(=O)[C@@H](C)Sc1nnc2cc(C)c3ccccc3n12 1924381 XEPWVPDWIQTNSR-LLVKDONJSA-N 315.398 3.235 0 40 DGAB CC(=O)NCc1nc2ccccc2n1Cc1cc(C)ccc1C 2721266 NFVUCIDEFFIWQF-UHFFFAOYSA-N 307.397 3.338 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@@H](C)Oc1cccc(C)c1 2761262 IIZOBRCOASTFMJ-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB Cc1c(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)cnn1C 2803939 NTUBQYSZKWOORT-NSHDSACASA-N 316.405 3.120 0 40 DGAB Cc1ccc2nc(SCc3ccccc3Cl)nc(=O)n2c1 4503741 CBUFTFDYMXSPKP-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB Cc1cccc(CSc2nc3[nH]c(=O)cc(O)c3s2)c1 4945352 RBBZEYUBGBQNSK-UHFFFAOYSA-N 304.396 3.291 0 40 DGAB COC(=O)CCC(=O)Nc1ccc2oc(-c3ccccc3)nc2c1 4967332 RFMSARREFKDKKH-UHFFFAOYSA-N 324.336 3.387 0 40 DGAB O=C1[C@@H]2[C@H]3C[C@H](C[C@H]3c3ccccc3)[C@H]2C(=O)N1c1nccs1 5013822 SKUIOZKPGFUHDJ-BTFPBAQTSA-N 324.405 3.072 0 40 DGAB Cc1ccccc1OCC(=O)Nc1cccc(N2CCCC2=O)c1 5440580 JENIWUKNYAQDMF-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB CS(=O)(=O)c1ccccc1C(=O)OCc1cccc(Cl)c1 5534953 CSKJFFCERLTIAG-UHFFFAOYSA-N 324.785 3.101 0 40 DGAB CCNC(=O)c1ccccc1-c1nc(-c2ccc(C)cc2)no1 5557045 UHQATGLQVBSHDU-UHFFFAOYSA-N 307.353 3.462 0 40 DGAB Cc1nn(C)c2c1[C@@H](c1ccc(Cl)cc1)SCC(=O)N2C 5641597 HTCOMBLJKZMIOS-CQSZACIVSA-N 321.833 3.181 0 40 DGAB CN1C(=O)S/C(=C\Nc2ccc(Br)cc2)C1=O 5753427 NADZSSOKFQALQP-TWGQIWQCSA-N 313.176 3.028 0 40 DGAB O=C(Cn1ncc(Cl)c(Cl)c1=O)c1ccc(Cl)s1 6566292 YHGVBTGNKQKEHU-UHFFFAOYSA-N 323.588 3.148 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)[C@H]3CCC(=O)N3)cc2)c1 6982013 LHFYAVVBARONKU-MRXNPFEDSA-N 310.353 3.004 0 40 DGAB Cc1ccc(NC(=O)CN2CCC[C@H]2c2cccn2C)cc1C 7039188 HRMVOJFOEALVQE-SFHVURJKSA-N 311.429 3.418 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C)c(C)c1 8040761 ATMSJKZNEIIKGZ-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)c2cccs2)c1C 8414022 RHLISDDFWZYTFO-UHFFFAOYSA-N 302.399 3.076 0 40 DGAB Cc1nn([C@@H](C)CC(=O)n2nnc3ccccc32)c(C)c1Cl 8714510 XQUPWAPEHGQMGL-VIFPVBQESA-N 317.780 3.190 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)CSc2nc3ccccc3[nH]2)C1 9633958 FOEGDHYTZDPXRK-RYUDHWBXSA-N 303.431 3.160 0 40 DGAB O=C(Nc1ccc(-n2cncn2)cc1)c1cc(Cl)ccc1F 12919336 SHSINZUJXZGSLF-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CSc1nc2nc(C(C)C)c(-c3ccc(F)cc3)c(N)n2n1 13638113 NMGTVUGJXDRZEH-UHFFFAOYSA-N 317.393 3.358 0 40 DGAB COc1ccc([C@H](O)c2nccn2Cc2ccccc2)c(OC)c1 13723967 XOBKEPRVCPFYSF-SFHVURJKSA-N 324.380 3.030 0 40 DGAB CCN1CCn2c(nc3cc(NC(=O)c4ccccc4)ccc32)C1 13732939 SEWIPXZHZZTGFE-UHFFFAOYSA-N 320.396 3.124 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2ccc(F)c(F)c2)c1 14022401 JEIBUEXWIZPAHL-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB COc1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1 14869064 KTSRMYPQBJYLHH-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C)c(C)c2)Oc2ccccc21 15525129 XXJXVYPXVNAZHW-GOSISDBHSA-N 324.380 3.056 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@H](C)O[C@H](C)C3)c2cc1Cl 16739069 CTHBTGDHGXVMDT-TXEJJXNPSA-N 321.804 3.364 0 40 DGAB biogenic O=c1c2c3c(sc2[nH]c(=S)n1Cc1cccnc1)CCC3 17053505 WECJVANVRAMITN-UHFFFAOYSA-N 315.423 3.053 0 40 DGAB CCc1ccc2oc(-c3ccc(NC(N)=S)cc3O)nc2c1 20154557 IACQHVHLXMOUQQ-UHFFFAOYSA-N 313.382 3.418 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2cc(OC)cc(OC)c2)cc1 20452481 LKAPMPOSYURPRS-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB Cc1cc(C)c(C)c(O[C@@H](C)C(=O)NCCCOC(C)C)c1 22526909 DJTXFPRFAUDPJG-INIZCTEOSA-N 307.434 3.310 0 40 DGAB Cc1cccc(S(=O)(=O)NCC2(c3cccs3)CC2)c1 22686504 AXJAAKRRMYOZHR-UHFFFAOYSA-N 307.440 3.067 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NCC[C@@H]1CCCO1 23876255 NDBAZRSDBGZLCI-AWEZNQCLSA-N 316.426 3.417 0 40 DGAB CC(C)Sc1nc(=O)n(Cc2ccccc2)c2c1CCC2 28286801 MVYXYTYXMPBJET-UHFFFAOYSA-N 300.427 3.281 0 40 DGAB COCCNC(=O)CSC(c1ccccc1)c1ccccc1 28650277 LGKALORATSEHNK-UHFFFAOYSA-N 315.438 3.272 0 40 DGAB O=C(CCc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 32911508 BESWPNHXEWTKLZ-FQEVSTJZSA-N 322.452 3.400 0 40 DGAB CC(C)[C@H](C)NC(=O)c1ccccc1I 36841221 IPXKFNUPWPKFOR-VIFPVBQESA-N 317.170 3.066 0 40 DGAB Cc1cc(Cl)ccc1OC[C@@H](O)CN1C[C@@H](C)C[C@H](C)C1 37530398 CGTWDODYBVWANC-XEZPLFJOSA-N 311.853 3.366 0 40 DGAB Cc1nc(C(=O)NCc2ccncc2)c(-c2ccccc2)s1 40326368 OBFMBKYZMCVWAC-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB Cc1ccc(OCCCCNC(=O)Cc2c(C)noc2C)cc1 40542428 GSWWOGWGPOOJSO-UHFFFAOYSA-N 316.401 3.118 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1csc(-c2ncccn2)n1 40554108 SEDRHKPOSOUPES-NSHDSACASA-N 322.393 3.192 0 40 DGAB CC(C)OCCCNC(=O)c1c(Cl)c2ccccc2n1C 41619050 RKVSDEKNDHYKBW-UHFFFAOYSA-N 308.809 3.377 0 40 DGAB O=C(NCC1CCC1)c1cnc(OCC(F)(F)F)c(Cl)c1 48178455 CQVSGGDECGIOHX-UHFFFAOYSA-N 322.714 3.206 0 40 DGAB COC(=O)c1ccc(N[C@H](C)c2ccccc2OC(C)C)nn1 48234710 YMDDYWIUIPHXKZ-GFCCVEGCSA-N 315.373 3.224 0 40 DGAB Cc1ccc(C)c(CN2CC(c3nc(-c4cccnc4)no3)C2)c1 49483711 DNKIBZWUVJIPIJ-UHFFFAOYSA-N 320.396 3.348 0 40 DGAB Cc1nc(S[C@H](C(=O)NCc2cccnc2)C(C)C)oc1C 50247925 CPRGTCXGJGQPRP-AWEZNQCLSA-N 319.430 3.120 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)c2cc(C)n[nH]2)cc1 56271245 KJTLOCULUVLKHH-KRWDZBQOSA-N 313.401 3.484 0 40 DGAB OC1=N[C@@H](c2cc(Br)cs2)N2CCCC[C@H]12 65531450 HMQQGYVELSTUEQ-PSASIEDQSA-N 301.209 3.334 0 40 DGAB Cc1cc(C)cc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1 67298255 PXNQSCMYULRRDV-ZZEZOPTASA-N 308.337 3.087 0 40 DGAB O=C(NC1CCC(C(=O)N2CCCCCC2)CC1)C1CCCC1 69420887 LYRMTXVEBXVFRV-UHFFFAOYSA-N 320.477 3.254 0 40 DGAB CCc1nnc2n1C[C@@H](CNc1nc3ccccc3s1)CC2 69774294 CGHLEHDYICPOFU-LLVKDONJSA-N 313.430 3.125 0 40 DGAB Cn1c(SCC2CCOCC2)nnc1-c1ccccc1F 69810958 FCFVCFXNGVIJKO-UHFFFAOYSA-N 307.394 3.140 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CCC[C@@H](n2ccnc2)C1 69917606 WRNWSCDAHBQMCH-GFCCVEGCSA-N 307.756 3.153 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCC(Oc2ccccc2)CC1 71835044 XBXCUSULIAMEEO-DLBZAZTESA-N 311.381 3.453 0 40 DGAB CC(C)c1ccc(CSCC(=O)NC[C@H]2CCOC2)cc1 71853633 VBRZNMHBHUJUHL-OAHLLOKOSA-N 307.459 3.196 0 40 DGAB CCCN(C(=O)c1ccc(=O)n(C)c1)c1ccc(Cl)cc1 71894280 DVOPUDQUHAITPH-UHFFFAOYSA-N 304.777 3.096 0 40 DGAB C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)c1cn2cccnc2n1 71896364 YPYBHBLEBHSKOI-AWEZNQCLSA-N 320.396 3.170 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)o1 72232241 PKBHDWBYFXZHTC-ZDUSSCGKSA-N 317.389 3.423 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1 78404142 JDPPZJORLFPQEX-ZDUSSCGKSA-N 322.474 3.434 0 40 DGAB CN1CCC[C@@H](C(=O)Nc2ccccc2C(=O)c2ccccc2)C1 78578593 LWSJRUAVEJFJDH-MRXNPFEDSA-N 322.408 3.198 0 40 DGAB C[C@H](C(=O)NCC1(c2ccc(F)cc2)CCC1)n1cccc1 89478522 JZIYYBZKROFQRQ-CQSZACIVSA-N 300.377 3.426 0 40 DGAB CC(C)c1cc(NC(=O)N(C)Cc2cc(Cl)cn2C)no1 89893348 CQKSRUABWUQVMM-UHFFFAOYSA-N 310.785 3.454 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)NC[C@H]1CC=CCC1 95421053 FUMMCBXHIJWKCL-GJZGRUSLSA-N 302.418 3.358 0 40 DGAB O=C(c1ccc[nH]1)N1CCc2cc(Br)sc2C1 95446369 NCDHWHSETOONAE-UHFFFAOYSA-N 311.204 3.037 0 40 DGAB C[C@@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc2cn[nH]c12 95448869 PARWPPNKMDJBLT-SJCJKPOMSA-N 313.376 3.304 0 40 DGAB O=C(Nc1cccc2cccnc12)N1CCCC[C@@H]1c1nc[nH]n1 95455768 FDAMXRDUNHFMOB-CQSZACIVSA-N 322.372 3.112 0 40 DGAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2cccnc2)no1 96001231 BMFWRJNETLYISW-AWEZNQCLSA-N 314.389 3.346 0 40 DGAB c1cncc(CN2CCC3(CC2)C[C@H](c2cccnc2)CO3)c1 96220295 WMLXJARNVGMSQI-SFHVURJKSA-N 309.413 3.015 0 40 DGAB CCO[C@@H](C)c1noc(COc2cccc3c2OC(C)(C)C3)n1 96407112 VAJIONXSJSEURQ-NSHDSACASA-N 318.373 3.460 0 40 DGAB COc1c(F)cc(NC(=O)N2CC[C@H](CSC)C2)cc1F 96417980 ZIRRLNKPLVHYGW-VIFPVBQESA-N 316.373 3.190 0 40 DGAB O=C(N[C@H](c1cc(F)ccc1F)C1CC1)c1ccncc1F 96432719 UMSUSYWVLMNWNG-HNNXBMFYSA-N 306.287 3.380 0 40 DGAB Cc1ccc(C(F)(F)F)cc1NC(=O)NCc1nccn1C 96446038 BIUZURYPNKDOBE-UHFFFAOYSA-N 312.295 3.069 0 40 DGAB COc1cc(NC(=O)N2CC[C@H](C)C2)ccc1Br 96446051 PEMPWWFTUXCUKC-VIFPVBQESA-N 313.195 3.331 0 40 DGAB O=C(COc1ccc(Oc2nccs2)cc1)N1CCCCC1 96455295 RFYIBVRRCVSTIK-UHFFFAOYSA-N 318.398 3.327 0 40 DGAB Cc1nnc(-c2ccc(C(=O)OCCCc3ccncc3)cc2)o1 96467300 NKZUFDRTASYJBL-UHFFFAOYSA-N 323.352 3.230 0 40 DGAB CCO[C@H]1C[C@H](NC2CCN(CC(F)F)CC2)C12CCCC2 96478805 IIBLMRUVCYLOCR-GJZGRUSLSA-N 316.436 3.043 0 40 DGAB C[C@@H](Nc1ccc(OC2CCN(C)CC2)nc1)c1cccnc1 97038846 WZQILQPUBRGNOZ-CQSZACIVSA-N 312.417 3.123 0 40 DGAB O=C([C@H]1CCCO[C@H]1c1ccccc1)N1CCc2cnccc21 97084717 LHLBPJPRPWLIPA-WMZOPIPTSA-N 308.381 3.139 0 40 DGAB COC(=O)[C@H](Nc1cccc(NC(C)=O)c1)c1ccccc1C 97095004 JQKSDQIGYGUMNC-QGZVFWFLSA-N 312.369 3.280 0 40 DGAB O=S(=O)(Nc1c(F)cc(Cl)cc1Cl)c1cccnc1 97098491 JOMFAKFTVOTGED-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccc(Cl)cc1)OC2=O 100260477 MCVRZCJRXAOBRC-IRXDYDNUSA-N 321.804 3.078 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@]12CC[C@@](C)(C(=O)O1)C2(C)C 100282256 YCGJFIWFNGHVKJ-ROUUACIJSA-N 317.385 3.064 0 40 DGAB C[C@@H]1SCCN(C(=O)[C@@H]2C[C@H]3CC[C@H]2O3)[C@@H]1c1ccccc1 107499724 WVWISZBTRINBSW-HCVDEJBSSA-N 317.454 3.259 0 40 DGAB COc1cc([C@@H](O)C(F)(F)F)c(OC)cc1Br 134273573 QXNSMQKKIRNMAQ-SECBINFHSA-N 315.085 3.062 0 40 DGAB Cc1cncc(CN2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)c1 189869818 OQNRWJXOPGDXTM-OAHLLOKOSA-N 319.449 3.079 0 40 DGAB CC[C@H](COC)NC(=O)Nc1ccc(N2CC[C@@H](C)C2)cc1 195530643 ZHNBWYKJKFFDRY-ZIAGYGMSSA-N 305.422 3.079 0 40 DGAB COc1ccc([C@H]2CCCCN(C(=O)Cn3cccc3)C2)cc1 206884100 WFDDXEYODAYYIC-KRWDZBQOSA-N 312.413 3.293 0 40 DGAB CCO[C@](C)(CC(C)C)C(=O)Nc1ccc(OCCOC)cc1 225689629 OEFKZMPQWXNARC-GOSISDBHSA-N 323.433 3.492 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3cccc(Br)c3)=NN[C@H]2C1 228937324 ZVKCVZVHVAKIBP-WCQYABFASA-N 321.218 3.130 0 40 DGAB COc1ncc(CNc2c(F)cccc2NC(C)C)c(C)n1 252508048 XBEXHPOWHPLJCI-UHFFFAOYSA-N 304.369 3.365 0 40 DGAB C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 252549495 RJKKNJYGGPSMDZ-BMGDILEWSA-N 316.470 3.034 0 40 DGAB COc1cccc(-c2cc3ccc(NC(C)=O)cc3oc2=O)c1 255189637 RFHDDLZMRASZNJ-UHFFFAOYSA-N 309.321 3.427 0 40 DGAB Cc1ncsc1CN1Cc2nccn2C[C@@H]1c1ccccc1 257205607 AZVBYPDYILVENO-OAHLLOKOSA-N 310.426 3.405 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cccc3ncccc23)C1 257217955 DBHAJARWXCJUIJ-CQSZACIVSA-N 320.396 3.286 0 40 DGAB Cc1nc(CC(=O)N2CCC[C@H]2CCc2ccncc2)cs1 257270564 MUSQWAHFZBFZNC-INIZCTEOSA-N 315.442 3.013 0 40 DGAB Cc1ccc(-c2cc(NC(=O)c3scnc3C)[nH]n2)s1 303013312 KSBVHRNDHYLGIO-UHFFFAOYSA-N 304.400 3.464 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1Cl 409380675 ASQIXDLVANOVKS-QYAIJTBZSA-N 322.191 3.301 0 40 DGAB CC[C@@H](NC[C@@H](CCO)c1ccccc1)c1ccc(OC)cn1 585085421 MAWWNWGMCAZGKB-SJLPKXTDSA-N 314.429 3.297 0 40 DGAB O=C1CC[C@]2(CCCN(CCc3ccccc3)CC2)N1CCF 585100630 QRZQGHYACNUBPA-IBGZPJMESA-N 318.436 3.046 0 40 DGAB CCN(C(=O)C1CC(CO)C1)c1ccc(Cl)c(Cl)c1 953118762 RPTHBVRBFSMWAF-UHFFFAOYSA-N 302.201 3.365 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H](O)c2cc(C)oc2C)cc1 1565520353 PLDNEXJLYHZAJF-MRXNPFEDSA-N 318.373 3.150 0 40 DGAB COc1cc([C@@H](O)C(F)(F)F)cc(OC)c1Br 1857793187 DDTPGRZEVAKTPN-SECBINFHSA-N 315.085 3.062 0 40 DGAB Cn1c(SCc2cccc(Cl)c2)nnc1-c1cnccn1 532612 IJDPPQJVDAKDRK-UHFFFAOYSA-N 317.805 3.218 0 40 DGAB C[C@H]1CCc2c(nc3ncnn3c2NCc2ccc(F)cc2)C1 1351053 JAUSNERMLRDCAA-NSHDSACASA-N 311.364 3.000 0 40 DGAB CC(C)(C)OC(=O)NCCCn1ccc2ccc(C(=O)O)cc21 2541452 WDQHQHXUYHOJMH-UHFFFAOYSA-N 318.373 3.254 0 40 DGAB COc1ccccc1-c1nnc2n1CN(c1ccccc1)CS2 3843327 DWDDRLHHNBPTQA-UHFFFAOYSA-N 324.409 3.481 0 40 DGAB biogenic CCOCc1nnc(NC(=O)C[C@H](C)c2ccccc2)s1 4510369 ZLOXAKAVXGTMBI-NSHDSACASA-N 305.403 3.207 0 40 DGAB O=C1[C@H]2CS[C@@H](c3cccs3)N2C(=O)N1c1ccccc1 4520156 RHQSYROQZIPAOE-RISCZKNCSA-N 316.407 3.331 0 40 DGAB Cc1cc(C)cc(OCCSc2nc(C)c(C)c(=O)[nH]2)c1 4625660 FNTGJFPDWSWNJS-UHFFFAOYSA-N 304.415 3.175 0 40 DGAB CCSc1ccccc1C(=O)Nc1ccc(C(N)=O)cc1 4725042 GQZKQRQNBWONIL-UHFFFAOYSA-N 300.383 3.150 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)c(F)c1 5440488 DJSQMBYBBKJDQI-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB C[C@@H]1CCCN(C(=O)COC(=O)/C=C/c2ccccc2Cl)C1 5559608 UDAZTYJSZLCNHO-MMQHEFTJSA-N 321.804 3.155 0 40 DGAB CCOC(=O)c1c(C)n(C[C@@H]2CCCO2)c2ccc(O)cc12 5585750 WJTLLYYCNOPXRQ-ZDUSSCGKSA-N 303.358 3.011 0 40 DGAB C[C@@H](OC(=O)c1ccc(CO)cc1)C(=O)c1ccc2c(c1)CCC2 6082171 ATFQHLULDNQJDS-CYBMUJFWSA-N 324.376 3.096 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCCO2)Nc1ccc(F)cc1F 6322592 PVOVVIDYEPLSAS-QHHAFSJGSA-N 317.291 3.388 0 40 DGAB COc1ccc(C(=O)[C@H](C)OC(=O)c2sc(C)nc2C)cc1 6367055 CGNPOVSYTVHAJD-JTQLQIEISA-N 319.382 3.197 0 40 DGAB CCCOc1nc2ccccc2nc1N1C[C@@H](C)O[C@H](C)C1 6758827 SUNGAGNYNPZEKV-CHWSQXEVSA-N 301.390 3.032 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)Cc1cccs1 6850038 DHWCTBPCCFVAKF-UHFFFAOYSA-N 317.410 3.111 0 40 DGAB O=C(COc1ccc(Cl)c2cccnc12)NCc1ccco1 7612332 JJVWDEAZEKOFEP-UHFFFAOYSA-N 316.744 3.176 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)cc2C)c1C 7781158 ZWDSDMJKDWHTHL-UHFFFAOYSA-N 300.358 3.287 0 40 DGAB CC(C)(C)CC(=O)Nc1ccc2c(c1)NC(=O)C(C)(C)CO2 8959894 RLGCYKPFBFTXRW-UHFFFAOYSA-N 304.390 3.418 0 40 DGAB CC(=O)Nc1ccc2c(c1)N(CCC(C)C)C(=O)C(C)(C)CO2 8959976 SELGZDVYKUEWMD-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cc1cccc(-c2cc(C(=O)Nc3ccc(F)cc3)n[nH]2)c1O 8995097 NAJNRYJFPXGBEX-UHFFFAOYSA-N 311.316 3.482 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)Sc1ccccn1 9157672 FJDDDGZIFUJQLH-GFCCVEGCSA-N 300.383 3.404 0 40 DGAB CCOc1ccc(C(=O)NCc2ccccc2CN(C)C)cc1 9917197 HAFJASRZEKUNJL-UHFFFAOYSA-N 312.413 3.077 0 40 DGAB CCSc1nc2ccccc2c2nc(-c3ccncc3)nn12 9939897 WWOPTKQXNYXETF-UHFFFAOYSA-N 307.382 3.452 0 40 DGAB Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)ccn1 12549450 CIINTNZHGQXHKU-JTQLQIEISA-N 313.382 3.075 0 40 DGAB CC(=O)c1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 12697808 UUYYJWRMIFVUMC-UHFFFAOYSA-N 303.358 3.253 0 40 DGAB COc1ccccc1C(=O)Nc1cnc(-c2ccccc2)nc1 12861320 VSDPGUPHJGCUML-UHFFFAOYSA-N 305.337 3.405 0 40 DGAB O=C(O)c1cc(-c2ccsc2)nc2cc3c(cc12)OCCO3 12941688 HLEMBUIHYKFHFG-UHFFFAOYSA-N 313.334 3.433 0 40 DGAB Cc1ccc(CC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)cc1 12975677 CAQXOYAEVILSFX-CQSZACIVSA-N 311.381 3.186 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@@H](O)CC[C@]34C)[C@H]1CCC2=O 13399207 ONVVZSHYQMOXLN-KMGHZMTKSA-N 304.430 3.138 0 40 DGAB biogenic COc1ccc(C)cc1NC(=O)c1cccc(N2CCCC2=O)c1 14020746 QBCRCUJTFXUXLA-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB COCC(=O)N(Cc1nc2ccccc2nc1C)c1ccccc1 16265184 SEFWKUGNGSNQCQ-UHFFFAOYSA-N 321.380 3.118 0 40 DGAB CCOc1ccccc1NC(=S)NCCCN1CCCCC1 18162530 PYRUQILTAFYZLD-UHFFFAOYSA-N 321.490 3.248 0 40 DGAB C[C@H](Sc1ncnc2ccsc12)C(=O)NC1CCCC1 22004741 SYINAABTGKYXMU-VIFPVBQESA-N 307.444 3.231 0 40 DGAB CCN(CC)CCNCc1ccc(-c2ccc([C@H](C)O)cc2)o1 22108723 UVPIQTZTYCDCPE-HNNXBMFYSA-N 316.445 3.431 0 40 DGAB O=C(/N=c1\ccccn1Cc1ccccc1)c1ccccc1F 23610423 VWKRVOVZALQJRB-DYTRJAOYSA-N 306.340 3.417 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccc(C)c(C)c3)sc2C1 23802539 LXEUKCDOCNNPRZ-UHFFFAOYSA-N 315.442 3.390 0 40 DGAB CCCn1nccc1C(=O)NCc1ccccc1C(F)(F)F 28304171 AJLZVTLUZOREGI-UHFFFAOYSA-N 311.307 3.242 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccc(F)cc1)N2 30540489 IUSYOYCRORXUAW-INIZCTEOSA-N 316.332 3.039 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2ccccc2)cc1OC 30889788 QRWMFKKZHALHKH-ZRDIBKRKSA-N 311.381 3.376 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)n1 32776676 QTQUBHLJVBXQSA-MRXNPFEDSA-N 312.369 3.200 0 40 DGAB CCOC(=O)c1cc(CC)sc1NC(=O)c1ccccn1 35152081 QIMPERNDEICVGH-UHFFFAOYSA-N 304.371 3.135 0 40 DGAB CC1=NN(C(=O)C(C)C)[C@@H](C(C)(C)C(=O)O)c2ccccc21 38337601 WDRFNEMLAKPGTP-CQSZACIVSA-N 302.374 3.061 0 40 DGAB CCc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1 40097915 LWUQKBVKAZFRSR-MRXNPFEDSA-N 320.339 3.382 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)C1(c2ccc(F)cc2)CC1 44293040 PZXFAEYALZLPEI-UHFFFAOYSA-N 309.344 3.050 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1cccc(F)c1 47214173 JFOZOYLGZOTPQY-MRXNPFEDSA-N 305.374 3.182 0 40 DGAB CCOCCCNC(=O)Nc1ccc(Br)c(C)c1 48301929 UKLOWXVSTWWPSZ-UHFFFAOYSA-N 315.211 3.306 0 40 DGAB COc1ccccc1[C@H]1CC(c2ccsc2)=NN1C(C)=O 58268770 RBKWUTQEERQCMD-OAHLLOKOSA-N 300.383 3.454 0 40 DGAB CC(C)[C@@H](N)c1nc(C2=Cc3cc(Cl)ccc3OC2)no1 62716606 XUNGIHPTYBQJTM-CYBMUJFWSA-N 305.765 3.312 0 40 DGAB CS[C@H](C)C(=O)Nc1cc(C(C)(C)C)nn1-c1ccccn1 65562231 JAEBYRYJJVUVJW-LLVKDONJSA-N 318.446 3.255 0 40 DGAB CNC(=O)c1ccc(Cl)c(NC(=O)N2C[C@@H](C)C[C@@H](C)C2)c1 65606641 CQUKWSMDVGTUJA-PHIMTYICSA-N 323.824 3.209 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NCc2nc3ccccc3n2C)c1 66970768 PQCQRDVTGJCZKX-ZDUSSCGKSA-N 322.412 3.383 0 40 DGAB Cc1ccc(NC(=O)N2CCC(C3OCCO3)CC2)c(Cl)c1 69260889 FHGOUXXECDZVQG-UHFFFAOYSA-N 324.808 3.265 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2nccn2Cc2ccccc2)c1 69967180 RSWBGCJWIALVPY-IAGOWNOFSA-N 323.444 3.176 0 40 DGAB NC(=O)c1cccc(NC(=S)Nc2ccc(F)cc2Cl)c1 71761724 ICWVLXSZMJZDFB-UHFFFAOYSA-N 323.780 3.387 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cc(Cl)c(N)c(Cl)c1 71814448 LFGBYNMBVMQING-UHFFFAOYSA-N 314.172 3.362 0 40 DGAB CNC(=O)c1cccc(NC(=O)N2CC[C@@H](c3ccccc3)C2)c1 71844090 NYBGPKCOMLHRLJ-MRXNPFEDSA-N 323.396 3.068 0 40 DGAB Cc1ccc(-c2nccn2-c2ccc(-n3cncn3)cc2)cc1 72149848 WXQSDCYJUOUGHK-UHFFFAOYSA-N 301.353 3.428 0 40 DGAB CCO[C@H]1C[C@H](NC(=O)Nc2cc(C)on2)C12CCCCC2 72306077 QIVRGEPGXGOUQA-STQMWFEESA-N 307.394 3.232 0 40 DGAB C[C@](O)(CNC(=O)/C=C/c1c(F)cccc1F)c1ccsc1 72306596 ADXOISTZMDOSCS-JFDDCEBESA-N 323.364 3.063 0 40 DGAB Cc1cnoc1C(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C 72307115 XHZGXCONLKUOGK-UHFFFAOYSA-N 304.394 3.484 0 40 DGAB CCCCC1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 75602516 GZKYZMFTLUHPIQ-JCYILVPMSA-N 318.465 3.438 0 40 DGAB Cc1cccc(COc2cccc(C(=O)NCc3c[nH]cn3)c2)c1 76041991 CJPOWPFJSIAGST-UHFFFAOYSA-N 321.380 3.227 0 40 DGAB CC(=O)Nc1cc(C(=O)Nc2cccc(C)c2O)ccc1F 79014446 LBVJWPWSYPUSPU-UHFFFAOYSA-N 302.305 3.050 0 40 DGAB CC(C)[C@@H]1CN(C(=O)CCc2ccncc2)c2ccccc2N1 81792914 CZFBMOVCHVLOHI-KRWDZBQOSA-N 309.413 3.498 0 40 DGAB CCN(Cc1ccccn1)C(=O)Nc1ccc2c(c1)CCCO2 84320601 DWRPUHWTDBYPEL-UHFFFAOYSA-N 311.385 3.461 0 40 DGAB C[C@H](NC(=O)CCc1ccccn1)c1cccc(N2CCCC2)c1 84656061 GQDQLQTVYSCAHV-INIZCTEOSA-N 323.440 3.492 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)C[C@@H](C)C1N(C)Cc1ccon1 84705653 JNVZWDPBIUDILW-HZPDHXFCSA-N 313.445 3.263 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1F 85397443 RSUQZRRMYYOFLU-UHFFFAOYSA-N 302.301 3.394 0 40 DGAB COc1ccc([C@@H](O)CN[C@H]2CCc3ccc(F)cc32)cc1 95419749 NXBGJBMPCOUXPW-ROUUACIJSA-N 301.361 3.145 0 40 DGAB CCC(=O)N1CC[C@H](N[C@H]2CCCSc3ccccc32)C1 95423872 QDKINYMPRFGIRF-ZFWWWQNUSA-N 304.459 3.214 0 40 DGAB CN1CC[C@@H](NCc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 95437473 LELRQQNRHZALPD-SJORKVTESA-N 319.811 3.409 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2coc3ccccc23)C2CC2)n1 95450859 HAJOFXYVRIGJEZ-INIZCTEOSA-N 307.353 3.412 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H]2CCO[C@@H](C)C2)cc1C 95458140 FLZKJBDIBOQQIA-UONOGXRCSA-N 306.406 3.330 0 40 DGAB CC[C@@H](CNC(=O)c1csnc1C)Oc1cccc(F)c1 95458643 KBWXXKFWXQTKJJ-LBPRGKRZSA-N 308.378 3.178 0 40 DGAB Cc1cc([C@H](C)NCCN2CCC(N(C)C)CC2)c(C)s1 95968935 UVXCWANFYWUVHH-AWEZNQCLSA-N 309.523 3.042 0 40 DGAB C[C@H](NC(=O)CN(C)[C@H](C)c1cccnc1)c1cccs1 95977298 REFSBVXITHUNSX-QWHCGFSZSA-N 303.431 3.013 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)c2cccc(Cl)n2)no1 96001116 AJFZMWJMQAFFKU-GFCCVEGCSA-N 320.780 3.184 0 40 DGAB CO[C@@H](CNC(=O)NCCCc1ccccc1)c1ccsc1 96097493 SWPBCQADZODWAN-INIZCTEOSA-N 318.442 3.368 0 40 DGAB CCO[C@H]1CO[C@@]2(CCCN(C(=O)CC3=CCCCC3)C2)C1 96107236 RGDWHXVKVPXOAX-AEFFLSMTSA-N 307.434 3.064 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1c(C)noc1C 96412175 PSCRGOJSVPKUPU-BONVTDFDSA-N 322.792 3.451 0 40 DGAB O=C(CCc1nc(C2CC2)no1)NCC1CCCCCCC1 96416425 QVZDMDQFYQGXEA-UHFFFAOYSA-N 305.422 3.356 0 40 DGAB O=C(Nc1ccc(NC[C@H]2CCCO2)c(F)c1)c1ccncc1 96417243 SQDAQJAMNCSNKS-CQSZACIVSA-N 315.348 3.064 0 40 DGAB COc1ccsc1C(=O)NCc1coc(-c2ccccc2)n1 96423231 WHKDRFMTIYWPBN-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB O=C(Cc1cccnc1)N[C@H](c1cc(F)ccc1F)C1CC1 96432689 DWYGSTDRIBDQQV-KRWDZBQOSA-N 302.324 3.170 0 40 DGAB CN(CC(C)(C)O)C(=O)N[C@@H](c1cccnc1)C1CCCCC1 96462912 JQTBHWFMCZPOAI-MRXNPFEDSA-N 319.449 3.115 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N1CCCc2ccccc21 96659182 YBPYARKXPFFPFH-UHFFFAOYSA-N 305.374 3.276 0 40 DGAB Cn1ncc(C(=O)Nc2cccc3[nH]cnc23)c1-c1ccccc1 97033642 NPKMXRBZIHWQOE-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB Cc1cscc1C(=O)N[C@@H](c1ccccc1)[C@@H](C)C(=O)O 97035737 WEWLPVRXNUABAC-BXUZGUMPSA-N 303.383 3.248 0 40 DGAB CCCCC(=O)/N=c1\sc2c(OC)ccc(OC)c2n1CC 100908971 HKMCYQUHNQANON-MSUUIHNZSA-N 322.430 3.357 0 40 DGAB O=C(C1[C@@H]2CCCC[C@@H]12)N1CCN(c2cccc(Cl)c2)CC1 101400821 JRLONIXWGQGIJL-HZPDHXFCSA-N 318.848 3.425 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@@H]1C[C@@H]2CC[C@@H]1O2 102687021 ODSMHPPIJZZFOH-RNSXUZJQSA-N 314.154 3.094 0 40 DGAB Cc1cccc(C)c1N1C(=O)[C@H]2Sc3ccccc3N[C@@H]2C1=O 104275196 VEKITAQFGXYYII-HOCLYGCPSA-N 324.405 3.132 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)[C@H]2C[C@@H]2c2ccc(C)s2)no1 106917801 LBECWOBLFVTLCX-AVGNSLFASA-N 317.414 3.215 0 40 DGAB CCOCCN1CCN([C@H](C)CCc2ccccc2)C[C@@H]1C 108348149 GZSUCVASCKHUNC-MSOLQXFVSA-N 304.478 3.050 0 40 DGAB O=C(O)c1ccc2c(c1)[C@]1(C[C@@H]1c1cccc(Cl)c1)C(=O)N2 217476693 LRYFFHUOYDEECO-DYVFJYSZSA-N 313.740 3.416 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1C 222973534 MMPZDMZUONYOIN-HZPDHXFCSA-N 314.458 3.193 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCC[C@@H](C)C2)c(C)c1 223016654 NUIFVXNKGHALGL-MRXNPFEDSA-N 302.462 3.084 0 40 DGAB Cc1cccc(NC(=O)Nc2cnc(N3CCCC3)nc2)c1C 224263051 XHRLLMFTLHIPNY-UHFFFAOYSA-N 311.389 3.338 0 40 DGAB CCOc1ccc(CNC(=S)Nc2ccc(C)cn2)cc1 225432425 XDTYHPRCITZNTJ-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=S)Nc1cc(C)ccn1 225584983 NOHXJDABUZOZMM-OAHLLOKOSA-N 320.506 3.331 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2)c(C)c1C 225807013 ARKBXFWXMDWXDU-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@@H]1c1ccncn1 257210719 BVVUKCDXGRXDQA-QGZVFWFLSA-N 304.353 3.002 0 40 DGAB Cc1ccc(CN2CCCC[C@H]2c2ccnc(N(C)C)n2)o1 257292117 QKCCCFCZXVWHHT-INIZCTEOSA-N 300.406 3.171 0 40 DGAB CC(C)N1CC[C@H](Cc2cnc(-c3cnn(C(C)C)c3)cn2)C1 257304653 SMOHNWAYMZKVAB-OAHLLOKOSA-N 313.449 3.194 0 40 DGAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1cc(-c2ccccc2)on1 530179003 KKOZSTZXDKGWRB-STQMWFEESA-N 314.385 3.415 0 40 DGAB C[C@@H]1CCc2c(sc3nc(-c4cccc(O)n4)nc(O)c23)C1 585136963 ANKQEWYZOUQFJP-MRVPVSSYSA-N 313.382 3.289 0 40 DGAB CCc1ccc(C(=O)N2CC[C@]3(COc4ccc(C)cc43)C2)cn1 1614937921 OGSYTYGQVOOFHD-HXUWFJFHSA-N 322.408 3.129 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CNc2ccccn2)nc1 1848356828 XKSODOINPTUKHR-UHFFFAOYSA-N 305.337 3.454 0 40 DGAB CCc1nccn1CC1CN(Cc2c(F)cccc2Cl)C1 1849680675 PGOFDRSJETVECZ-UHFFFAOYSA-N 307.800 3.370 0 40 DGAB CCOc1ccc(Cc2c(N)nc(SC)nc2Cl)cc1 327539 BWBLGAABODFRBO-UHFFFAOYSA-N 309.822 3.424 0 40 DGAB CCCC(=O)Nc1cc(-c2nn3c(C)nnc3s2)ccc1C 557554 QXJUFDOGMVNDLT-UHFFFAOYSA-N 315.402 3.208 0 40 DGAB CCn1c(N)c(-c2ccc(OC)c(OC)c2)c(=O)c2ccccc21 1280453 OJCYSBLBNRMVDN-UHFFFAOYSA-N 324.380 3.288 0 40 DGAB CCOC(=O)c1ccc(C(=O)c2ccccc2CN2CCC2)cc1 2515606 CZBKJCNMULXUSZ-UHFFFAOYSA-N 323.392 3.300 0 40 DGAB C[C@@H](NC(=O)COC(=O)CCC1CCCC1)c1ccccc1 3248235 HNMSTRYUIJAMJK-CQSZACIVSA-N 303.402 3.377 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2F)cc1 3388378 UOSXZVAIFGLRSL-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB Cc1c(C(=O)C(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1C 4062526 ZAHYEHRQUGMZGM-DOMZBBRYSA-N 312.413 3.364 0 40 DGAB O=C(N(Cc1ccc(Cl)cc1)c1cnccn1)C(F)(F)F 4110187 UWSWFFIOCOFYOE-UHFFFAOYSA-N 315.682 3.226 0 40 DGAB C[C@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031263 OYKVTHGWGIJBKU-CYBMUJFWSA-N 308.337 3.101 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc3ccccc3n2)cc1 5556478 YVBYIGURDIJOAP-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB O=C(CSc1nncc2ccccc12)NCc1ccccc1 5683145 XFNXJAFSDJVJGY-UHFFFAOYSA-N 309.394 3.038 0 40 DGAB CCCC(=O)c1cn(CC(=O)N(CC)CC)c2ccccc12 6026131 QIIFRLVVTRVHEF-UHFFFAOYSA-N 300.402 3.493 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2N2CCN(C)CC2)cc1C 6256175 QVVLGBBDMFUQLV-UHFFFAOYSA-N 323.440 3.308 0 40 DGAB COc1cccc(CN2C(=O)NC3(CCCCCCC3)C2=O)c1 6553099 WVTYIJDCKFWEJU-UHFFFAOYSA-N 316.401 3.230 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cc(F)cc(F)c1)S[C@@H](C)C(=O)N2 6678393 NVSAFTNDXQICEY-JVXZTZIISA-N 309.341 3.160 0 40 DGAB COc1cc(C(=O)Nc2cccc(C)c2C)cc2c1OCCO2 7914941 YMVQMSFJLUOQGM-UHFFFAOYSA-N 313.353 3.336 0 40 DGAB O=C1c2ccccc2N[C@H](c2ccc3c(c2)OCCO3)N1C1CC1 8132932 HEPXKFKAVVTHOZ-SFHVURJKSA-N 322.364 3.187 0 40 DGAB COc1cccc(CNn2c(-c3ccccc3)n[nH]c2=S)c1 8494689 MMIKIIHQFFYYMW-UHFFFAOYSA-N 312.398 3.360 0 40 DGAB Nc1ccc2c(cnn2Cc2ccc(Br)cc2)c1 8699386 WRTGKYPGAPKELP-UHFFFAOYSA-N 302.175 3.429 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1 9315946 GLJSRYUYXSMHNA-LBPRGKRZSA-N 310.353 3.275 0 40 DGAB Cc1cc(COC(=O)c2sc(NC(=O)C3CC3)cc2C)no1 10194814 UQIXFDCYNPRWEZ-UHFFFAOYSA-N 320.370 3.058 0 40 DGAB Cn1ccnc1[C@H](NC(=O)CC1CCCC1)c1ccc(F)cc1 12627659 WMRKSVSMGPLUMI-QGZVFWFLSA-N 315.392 3.345 0 40 DGAB O=C(Nc1c[nH]c2c(Cl)cccc2c1=O)N1CCCCC1 13565978 XQXJLFYUHKXRPP-UHFFFAOYSA-N 305.765 3.199 0 40 DGAB COc1cccc(NC(=S)Nc2ccc3c(c2)OCCO3)c1 13790726 VHMLGTOKWOWTKQ-UHFFFAOYSA-N 316.382 3.275 0 40 DGAB Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCCO3)c(O)c1 14020157 UHEUCBSJCHUTJY-UHFFFAOYSA-N 319.744 3.378 0 40 DGAB CCOCCOc1ccccc1C(=O)Nc1cccc(N)c1C 19736749 VUOOBSKXEWBUGU-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB Clc1cccc(-c2nnn(C[C@H]3CC3(Cl)Cl)n2)c1 23223923 MHQVRDVIURXYDD-MRVPVSSYSA-N 303.580 3.187 0 40 DGAB Cc1ccc(CNC(=O)NC[C@H](c2cccs2)N(C)C)cc1 24566679 QETRIAKDKTYMPA-OAHLLOKOSA-N 317.458 3.159 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1ccc(N2CCCCCC2)nc1 29788245 CXBJBXUTSYLHHK-UHFFFAOYSA-N 313.445 3.380 0 40 DGAB CCOCc1ccccc1CNC(=O)COc1cccc(C)c1 30179439 KHXDVNPKNZHHPV-UHFFFAOYSA-N 313.397 3.227 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1ccc(C(=O)O)cc1 30851243 GKINIXCNQHHTHA-INIZCTEOSA-N 313.353 3.489 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1cc(F)cc2cccnc12 31620294 LXAAKVWSHCSOJS-UHFFFAOYSA-N 323.302 3.271 0 40 DGAB Fc1ccc(NC(=S)NC2C[C@@H]3CC[C@H](C2)N3C2CC2)cc1 35312300 GLRBSMHCJKBRGT-VHRNVKJDSA-N 319.449 3.270 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(F)c(F)c1 40074412 AJSRDDYSWKIJPX-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB COc1ccc2c(CN3CCOc4ccccc43)cc(=O)oc2c1 40086133 JRKROAWGDUDOSM-UHFFFAOYSA-N 323.348 3.201 0 40 DGAB Cc1ccc(NC(=O)CN(C)[C@@H](C)c2nc(C(C)C)no2)cc1 40496436 LYVWWQWBFFYQDP-ZDUSSCGKSA-N 316.405 3.133 0 40 DGAB Cc1noc([C@H]2CCCCN2C(=O)c2ccc(F)c(F)c2)n1 41122696 WEUZIEBKOCTUFT-CYBMUJFWSA-N 307.300 3.024 0 40 DGAB O=C(NC[C@H]1CCOC1)Nc1cccnc1Oc1ccccc1 48301686 DJHZDWXAPFEDSO-CYBMUJFWSA-N 313.357 3.032 0 40 DGAB CC(C)Oc1cccc(CNS(=O)(=O)c2cccs2)c1 48671999 JJPWOHCLWPAAMU-UHFFFAOYSA-N 311.428 3.014 0 40 DGAB CN(CC1CC1)C(=O)c1c(Br)c2ccccc2n1C 48704876 SWINQHAQUQCJJW-UHFFFAOYSA-N 321.218 3.423 0 40 DGAB Cn1ncc2c1N=C(O)C[C@@H]2c1cccc(Oc2ncccn2)c1 49544836 XMOBSGPFKWWXBO-CYBMUJFWSA-N 321.340 3.126 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(-c2cccs2)[nH]n1 51315662 PXKFCMQMTNYVED-UHFFFAOYSA-N 313.338 3.119 0 40 DGAB Cc1nc2ccccc2n1CC(=O)Nc1cc(F)cc(F)c1 53849605 VNTXQKNMLSYWAX-UHFFFAOYSA-N 301.296 3.262 0 40 DGAB CN(C)C(=O)CCNC(C)(C)c1cccc(C(F)(F)F)c1 57846987 OMMJKFMPSYRKCX-UHFFFAOYSA-N 302.340 3.008 0 40 DGAB Cc1ccccc1/C=C1/SC(=O)N(CN2CCCCC2)C1=O 59502546 MSVBUUQFUPVVLK-RVDMUPIBSA-N 316.426 3.475 0 40 DGAB O=C(CNCc1ccc(Cl)cc1)N1CCc2ccccc2C1 61865952 UYSNOHWVRDVDLV-UHFFFAOYSA-N 314.816 3.015 0 40 DGAB COC(=O)[C@@H]1CCCN1C(=O)c1cc(-c2ccccc2)cs1 65516959 HACHLHLRDSZBEX-AWEZNQCLSA-N 315.394 3.193 0 40 DGAB O=C(Nc1ccc(Sc2nncs2)cc1)c1cccnc1 65520684 PBPSXCMQVMLKGX-UHFFFAOYSA-N 314.395 3.337 0 40 DGAB Cc1cnn(C[C@@H](C)NCc2nc(-c3ccsc3)oc2C)c1 69521619 XHAJLVJKXBFXCD-GFCCVEGCSA-N 316.430 3.395 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCCN2C(=O)c2ccccc2)nc1 69538193 UMXKWNPSUHFRTR-MRXNPFEDSA-N 323.396 3.023 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 69669574 RIMNVDDILJUEFU-LSDHHAIUSA-N 324.359 3.092 0 40 DGAB COc1cccc(SCC(=O)N[C@@H](C)CC[C@H]2CCCO2)c1 69697163 RIRVOWSGLGVZKR-UONOGXRCSA-N 323.458 3.251 0 40 DGAB Cc1ccccc1C[S@@](=O)[C@H](C)C(=O)NC1CCCCC1 71858860 XJUJADPZYXDYRN-SZNDQCEHSA-N 307.459 3.081 0 40 DGAB N[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(Cl)cc1Cl 72228177 XXGSLTJRFBSTIB-CABCVRRESA-N 321.207 3.404 0 40 DGAB COC(=O)c1cccc(C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)c1 72233722 RNUOPLCSQUNQOH-AWEZNQCLSA-N 319.401 3.273 0 40 DGAB Cc1csc(CCNc2ccc([C@H]3CCCN3C)nc2)n1 72365558 BZAQAUSWTRIYTF-OAHLLOKOSA-N 302.447 3.268 0 40 DGAB Cn1ccnc1CN1CC[C@H](Cc2cnc3ccccc3c2)C1 72368075 BZTWMVPVOKDBMO-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB Cc1n[nH]c(-c2nn3c(-c4ccsc4)nnc3s2)c1Cl 72400983 GTHDYMJHBCKPTF-UHFFFAOYSA-N 322.806 3.266 0 40 DGAB CC(C)N(C)C(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 75109899 AVRPKPWQNWIYHS-ZIAGYGMSSA-N 305.422 3.172 0 40 DGAB CC(=O)c1cccc(NC(=O)NCC[C@@H](O)c2ccccc2)c1 75536123 VEWUOAOIBPERLQ-QGZVFWFLSA-N 312.369 3.134 0 40 DGAB CCc1ccc(CN[C@H]2CCN(C(=O)C(C)C)C[C@@H]2C)cc1 76057826 MXTPKQDZTBAJJU-YJBOKZPZSA-N 302.462 3.232 0 40 DGAB CCn1cnnc1-c1ccccc1NC(=O)Cc1cccc(F)c1 78499190 ULBVZWBDJHRXIT-UHFFFAOYSA-N 324.359 3.285 0 40 DGAB CC(C)[C@H](C)SCC(=O)Nc1ccc(C(=O)N(C)C)cc1 79080515 JSTHZVSMODCMIV-LBPRGKRZSA-N 308.447 3.105 0 40 DGAB CS[C@@H]1CCC[C@@H]1NC(=O)NC(C)(C)c1ncc(C)s1 80155082 WXKVDSXOROPWGI-WDEREUQCSA-N 313.492 3.270 0 40 DGAB COC(C)(C)c1noc(-c2cc(-c3ccc(F)cc3)on2)n1 89775570 XUMJXPLDUJUBFF-UHFFFAOYSA-N 303.293 3.412 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NCc2nncn2C(C)C)cc1 90037753 YFKAOWVLBSGYKO-CQSZACIVSA-N 324.432 3.204 0 40 DGAB CSc1ccc(NC(=O)C[C@@H](O)c2cccc(F)c2)cn1 91438385 IGDBARLYNLAIPL-CYBMUJFWSA-N 306.362 3.005 0 40 DGAB COc1ccc2c(c1)[C@@H](NCCc1c(C)noc1C)CCCO2 95422129 VLMBVIKKVZVGSB-KRWDZBQOSA-N 316.401 3.346 0 40 DGAB Cn1ncc2c(SCCSc3ccccc3)ncnc21 95455412 QJLCTAHKVUNMCV-UHFFFAOYSA-N 302.428 3.248 0 40 DGAB CO[C@@H](CNC(=O)Cc1ccc(F)cc1)c1ccccc1C 96104935 RQMKVRSMPIOTOD-KRWDZBQOSA-N 301.361 3.181 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1cc2c(Cl)cccc2[nH]1 96118229 DIRCSRHDABGRJS-NSHDSACASA-N 305.809 3.035 0 40 DGAB CC(C)n1cc([C@@H](C)NC(=O)N2CCC[C@H]2C2CCC2)cn1 96405751 CXYDYDJPJLUMON-CJNGLKHVSA-N 304.438 3.499 0 40 DGAB C[C@@H](NC(=O)Nc1cccnc1)c1cccc(-n2ccnc2)c1 96434119 ZDXMYYRZFGCBLW-CYBMUJFWSA-N 307.357 3.150 0 40 DGAB CCC[C@@H](C)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 96456504 HTQXKTUJZIXGMC-CHWSQXEVSA-N 301.390 3.274 0 40 DGAB CCn1c(C)nnc1COc1ccc(C)cc1Br 96496756 FFYVIDZFQHNFKL-UHFFFAOYSA-N 310.195 3.256 0 40 DGAB Fc1ccc2c(c1)CCC[C@@H]2NCCc1nnc2ccccn12 97033242 HHMGZZMOFNRFSE-INIZCTEOSA-N 310.376 3.078 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@@H]2C1=O 100397580 CXJSEJWMMXJMDC-KXBVSSMTSA-N 313.784 3.206 0 40 DGAB O=C1CC(c2ccc(Br)s2)=Nc2cccnc2N1 100853433 LGTFAJJUPFPYLB-UHFFFAOYSA-N 322.187 3.369 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2CN(C)C(=O)OC(C)(C)C)co1 187632977 UCFCOSWQKRKMIV-CQSZACIVSA-N 322.405 3.060 0 40 DGAB Cc1ccc(CCCNC(=O)COc2ccc(F)cc2)cc1 222782633 QHQMLDMBCUMMFE-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCOc2ccccc2C)c1 224133626 HFLBOBXVMWCOIT-INIZCTEOSA-N 313.397 3.266 0 40 DGAB Cc1cccc(NC(=S)N[C@@H](C)COc2ccccc2C)n1 225638606 YZPCZSXJNIMVJX-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB Cc1cccnc1NC(=S)NCCCN1C[C@H](C)C[C@@H](C)C1 225731595 HTBMTWOFDIBXIQ-ZIAGYGMSSA-N 320.506 3.044 0 40 DGAB Cc1cc(C)c(OCC(=O)n2nnc3ccccc32)c(Cl)c1 226359707 OVZRGNDQYCMHOM-UHFFFAOYSA-N 315.760 3.421 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2ccc3ncccc3c2)O[C@@H]2CCC[C@@H]12 257300714 RVLDRVXFDBBSPW-JCHJZTRSSA-N 310.397 3.370 0 40 DGAB Cc1ccccc1CN1CC2(CO[C@@H](Cc3cccnc3)C2)C1 257307017 SWXCQBBGZIGRLD-IBGZPJMESA-N 308.425 3.224 0 40 DGAB C[C@@H](C(=O)N1CCC[C@@H]1c1ccn[nH]1)c1cn(C)c2ccccc12 287250840 XIQNTAOOARSYAK-FZKQIMNGSA-N 322.412 3.369 0 40 DGAB CCCn1c(CN[C@@H]2CCC[C@H](C(=O)O)C2)nc2ccccc21 580431127 DZEOMCMRYLVWRE-UONOGXRCSA-N 315.417 3.179 0 40 DGAB Brc1ccsc1-c1noc(C2CCOCC2)n1 585120564 VOQOZMPVFXYJSU-UHFFFAOYSA-N 315.192 3.455 0 40 DGAB O=C(N[C@H]1CCC12CCOCC2)c1cccc(C(F)(F)F)c1 585407697 HDEIXCYGTMTGQF-ZDUSSCGKSA-N 313.319 3.394 0 40 DGAB CC(=O)N1Cc2ccccc2NCC[C@H]2CC[C@@H](C1)N2C(C)C 643576163 QQJVUAXHVRPDMM-MSOLQXFVSA-N 315.461 3.092 0 40 DGAB O=Cc1nc(Br)c(-c2cccc(Cl)c2F)[nH]1 1857794733 IISKOJKCGDWAEO-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB C[C@@]1(CN2C(=O)CN(c3ccccc3)C2=O)CC1(Cl)Cl 269083 HTSKWGSNUCQSRF-ZDUSSCGKSA-N 313.184 3.039 0 40 DGAB Nc1cc(N)nc(SCc2ccc(Cl)cc2Cl)n1 287603 GKECBGQVJDCSRD-UHFFFAOYSA-N 301.202 3.240 0 40 DGAB COc1cccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)c1 505891 IMQVGKKOBUUORT-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB COc1ccc2[nH]c3c(NCc4ccccn4)ncnc3c2c1 520312 NUPVVBLITIYJQB-UHFFFAOYSA-N 305.341 3.127 0 40 DGAB CCOc1ccc(NC(=O)c2cc(=O)[nH]c3ccccc23)cc1 523465 JEDKLNOAKFUREP-UHFFFAOYSA-N 308.337 3.179 0 40 DGAB CCC1=NN(C(=O)c2ccccc2OC)[C@](O)(c2ccccc2)C1 854856 BIJIEHYFUFYPNW-LJQANCHMSA-N 324.380 3.152 0 40 DGAB Cc1nn(C)c(C)c1CN(C)C(=O)c1cccc2ccccc12 2763419 ZLTYAXIAUBJJEC-UHFFFAOYSA-N 307.397 3.462 0 40 DGAB CCCCNC(=O)[C@@H](CC(C)C)NC(=O)Nc1ccccc1 3213916 NUMQQGYGAICILT-OAHLLOKOSA-N 305.422 3.139 0 40 DGAB CC(=O)Nc1ccc(C(=O)[C@H](Cc2ccccc2)N(C)C)cc1 3282624 WJCLGSTVIZZJES-SFHVURJKSA-N 310.397 3.001 0 40 DGAB O=C(O)/C=C/c1cn(Cc2ccccc2)nc1-c1cccnc1 3887821 OXIKLRTYAYRAOE-CMDGGOBGSA-N 305.337 3.091 0 40 DGAB in-vitro Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2ccccn2)cc1 4040688 HUOLKQUXHJEHAR-QGZVFWFLSA-N 304.353 3.171 0 40 DGAB CC(C)=CCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1 4045132 HFWTWLVOTCMZBS-UHFFFAOYSA-N 302.326 3.074 0 40 DGAB biogenic O=C(Nc1ccc(Cl)cc1)Nc1ncc2c(n1)CCCC2=O 4777092 FRUVZIFYGGSBMH-UHFFFAOYSA-N 316.748 3.293 0 40 DGAB Cc1ccc(C(=O)[C@@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 5085453 SWFNNRQTSSTAGB-FPOVZHCZSA-N 323.436 3.326 0 40 DGAB COC(=O)N1CC=C(C)CN1C(=O)Nc1ccc(Cl)cc1 5416302 MCWDZDMHZKQZSN-UHFFFAOYSA-N 309.753 3.117 0 40 DGAB CC(=O)Nc1ccc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc1 5557299 MLGIEFBSOOXMPX-UHFFFAOYSA-N 312.413 3.344 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCCc2ccccc21 7503465 HYCTVWRNUJZFOJ-CYBMUJFWSA-N 305.381 3.437 0 40 DGAB COC(=O)CCCCCNC(=O)c1cc2c(s1)CCCC2 7652398 OOAQRONIQOADML-UHFFFAOYSA-N 309.431 3.090 0 40 DGAB C=C1c2ccccc2N=C(S[C@H](C)C(=O)N2CCCC2)N1C 8393871 VOPXEIUXKPROEA-CYBMUJFWSA-N 315.442 3.334 0 40 DGAB O=C(Nc1nn2cc(-c3ccccc3)nc2s1)c1ccccn1 8405116 XUOZEJULKKFUBH-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB O=C(Nc1nc(-c2ccccn2)cs1)c1ccc2[nH]cnc2c1 8718780 ZOEUERMMTMBOOP-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB COc1ccccc1CNC(=O)CSCc1csc(C)n1 9040054 SVLZCSDKJGYCQI-UHFFFAOYSA-N 322.455 3.010 0 40 DGAB CCCCc1nnc2sc(COc3cccc(OC)c3)nn12 11278215 YZSMYZGBSGOSKQ-UHFFFAOYSA-N 318.402 3.116 0 40 DGAB O=C1C[C@@H](C(=O)NC2CCCCCCC2)c2ccc(F)cc2N1 11412360 ZSKJRUOFVSTLRE-OAHLLOKOSA-N 318.392 3.481 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)Nc1cc(C)ccc1C 12552660 HAFVSBVRUQDXJM-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=C(O)[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc2c(O)cccc12 12767529 DVJFMQJNMPVCAA-KBPBESRZSA-N 311.337 3.151 0 40 DGAB Cc1cccc2sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)nc12 12998450 OBONINOXVBAURS-QWRGUYRKSA-N 318.398 3.434 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2nc(C)c3cccc(C)c3n2)n1 14608237 JDFKAQCZKUWEPF-UHFFFAOYSA-N 309.373 3.026 0 40 DGAB COC(=O)c1ccc(OC(=O)c2ccoc2C(F)(F)F)cc1 16739571 XEAHEIOHUKEOFH-UHFFFAOYSA-N 314.215 3.304 0 40 DGAB Cc1ccc(OCc2nc(C)c(C(=O)NC(C)C)s2)cc1 17301328 JRDIVUCQNOIWEW-UHFFFAOYSA-N 304.415 3.477 0 40 DGAB COc1ccccc1CN1CCN([C@@H]2CCC[C@H](C)C2)CC1 19359708 IMJWQTVSBYSWEY-FUHWJXTLSA-N 302.462 3.392 0 40 DGAB CCOc1ccccc1CNC(=O)c1ccc(OC)c(OC)c1 20108609 XXYWAHRZVCWFTP-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1c(F)cccc1F)NCC2 20494129 OITCZALDDAQQAM-QGZVFWFLSA-N 305.324 3.217 0 40 DGAB C[C@@H]1CCCN([C@@H](CN)c2ccccc2OC(F)(F)F)C1 21008944 FALFGAHFGMNHNS-YPMHNXCESA-N 302.340 3.317 0 40 DGAB Cc1cccc(C(=O)c2cccc(CN3CCN(C)CC3)c2)c1C 22028018 DPJNMJUAMYVSEB-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CCC(=O)Nc1ccncc1 22260554 BCMKERZBYZCBON-UHFFFAOYSA-N 300.406 3.122 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)Nc2nc(C)cc(C)n2)cc1 30948425 VFZYRSODZZTGKQ-UHFFFAOYSA-N 312.373 3.084 0 40 DGAB Cc1ccc(SCC(=O)Nc2cccnc2-n2cccn2)cc1 31951033 XSKIFOSTTOBXAW-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB COC(=O)c1cccc(C[P@](=O)(O)CCc2ccccc2)c1 32102386 ZKFAUIJHLOUKSC-UHFFFAOYSA-N 318.309 3.486 0 40 DGAB COCCOc1ccccc1CNCc1ccccc1OC 32186642 CPGMMWNRXJMJQG-UHFFFAOYSA-N 301.386 3.010 0 40 DGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)N1CCCCCC1 32975345 QEBYYMFNLMNYIN-INIZCTEOSA-N 317.433 3.235 0 40 DGAB O=C(/C=C/c1cc(Cl)cc(Cl)c1)NC1CCC(O)CC1 35118271 BMWXOCVEJYCCND-LZCJLJQNSA-N 314.212 3.426 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 40009566 ZUCDLNJBZSUMBV-RBSFLKMASA-N 324.465 3.328 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)Nc1ccc(NC(N)=O)cc1 40488896 GJGUKCDYQOAYJG-LLVKDONJSA-N 315.398 3.297 0 40 DGAB CCc1nc(CN2CCN(Cc3cccs3)CC2)cs1 42628135 DSIKKDICJQASJB-UHFFFAOYSA-N 307.488 3.085 0 40 DGAB CC(C)(C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 42630745 ZSPJDIYQCFFDHH-KRWDZBQOSA-N 324.424 3.463 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C 42646358 RLSTUCDNLVDYKR-HIFRSBDPSA-N 302.418 3.443 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1CCOc2ccccc21 43359437 WNSHAJFQUJAVQF-NSHDSACASA-N 316.386 3.061 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1c1ccsc1 44943581 BTECJVQHYOIMRK-OAHLLOKOSA-N 324.409 3.306 0 40 DGAB O=C(Nc1cccc(COC[C@H]2CCCCO2)c1)N1CCCC1 47626591 HAEYYSKPQYMZFS-QGZVFWFLSA-N 318.417 3.400 0 40 DGAB Cc1ccoc1C(=O)N1CCC[C@H]1c1ccc2c(c1)OCCO2 48343993 ZUBKGJZOAVNHRU-AWEZNQCLSA-N 313.353 3.337 0 40 DGAB Cn1ncc2c1N=C(O)C[C@@H]2c1ccc(Br)s1 49550080 KKDUQMNUBJMJSD-LURJTMIESA-N 312.192 3.368 0 40 DGAB CC[C@H](C)NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 51317763 BSWXAVXJNCIKLK-JTQLQIEISA-N 306.797 3.066 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2nc3c(s2)CN(C)CC3)C1(C)C 53464446 UOEXTZQCXMFLIJ-FZMZJTMJSA-N 319.474 3.308 0 40 DGAB CCc1nc(CC(=O)NCC2(c3ccccc3)CC2)cs1 55162936 XXGURQDVCKFAHM-UHFFFAOYSA-N 300.427 3.096 0 40 DGAB COC(=O)CCCCCCNC(=O)c1ccc(Cl)cc1F 55433999 PLKURLJOBOMHPI-UHFFFAOYSA-N 315.772 3.332 0 40 DGAB C[C@@H]1CCCN(C(=O)CN2CCC[C@@H]2c2ccc(F)cc2)C1 55506494 NGWVEKMYBHIMSO-RHSMWYFYSA-N 304.409 3.221 0 40 DGAB Cc1cc(Sc2ccccc2)ccc1NC(=O)Cn1cncn1 56473991 ZDWCMZXKSXEJDG-UHFFFAOYSA-N 324.409 3.376 0 40 DGAB CC(C)CN1C[C@@H](C(=O)N2CCC[C@H]2C2CCCCC2)CC1=O 58181191 QGZBDHSWLNYKAK-IRXDYDNUSA-N 320.477 3.062 0 40 DGAB CC(C)[C@@H](C(=O)N1CCCC1)n1cnc2cc(F)c(F)cc21 58218514 LTORAJBBSQFKJM-HNNXBMFYSA-N 307.344 3.134 0 40 DGAB O=C(CCCc1ccccc1)N1CCC[C@@H]1CN1CCCC1 58357958 ASBRDHZSNAUNHP-GOSISDBHSA-N 300.446 3.096 0 40 DGAB c1ccc(-c2nnc(C3CCN(Cc4ccncc4)CC3)[nH]2)cc1 65287325 GCQMDXBLQFRDPY-UHFFFAOYSA-N 319.412 3.246 0 40 DGAB O=C(Cn1c(C2CC2)nc2ccccc21)NC(C1CC1)C1CC1 65590315 ZNVUTCPZVCSUCI-UHFFFAOYSA-N 309.413 3.219 0 40 DGAB CC[C@@H](c1ccccc1)[C@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 69564691 MZXQEPVVSDVCSI-ZWKOTPCHSA-N 324.424 3.184 0 40 DGAB COc1cccc(SCC(=O)N[C@@H](C)CC[C@@H]2CCCO2)c1 69697157 RIRVOWSGLGVZKR-KBPBESRZSA-N 323.458 3.251 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69779858 CRNHLMLIHYGZNR-KBPBESRZSA-N 321.490 3.274 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2csc(C3CC3)n2)C1 69952217 OUSLIMWUJXOOBA-ZDUSSCGKSA-N 316.430 3.003 0 40 DGAB CC(C)NC(=O)N(C)[C@@H](c1cccc(F)c1)c1ccccn1 70009889 ACMNZBXQSBRUCQ-INIZCTEOSA-N 301.365 3.360 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@H]3Cn3cccn3)oc12 70039834 SUYYOYXCRNMPKM-HNNXBMFYSA-N 309.369 3.243 0 40 DGAB Cc1[nH]c(=O)ccc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218195 IJWDEHSFXNTAGU-INIZCTEOSA-N 312.369 3.157 0 40 DGAB Cc1ccccc1[C@H](O)CNC(=O)c1ccc(-c2cnco2)cc1 72281235 RFGPEDQNHWUZFA-QGZVFWFLSA-N 322.364 3.113 0 40 DGAB CC(=O)N1CCC[C@H]1CCc1ccc(-c2ccc(C)cc2)nn1 72365840 BDGWFRDVFIDZCL-SFHVURJKSA-N 309.413 3.396 0 40 DGAB Cc1nnc([C@H](C)N(C)Cc2csc(Br)c2)o1 72515356 PXDJXXWRCQQONN-ZETCQYMHSA-N 316.224 3.395 0 40 DGAB O=C(NC(c1ccccc1)c1ccccc1)N[C@@H]1CCC[C@H](O)C1 75156865 VPOKQOBRFGQLIP-MSOLQXFVSA-N 324.424 3.379 0 40 DGAB c1cc(CN2CCN(c3ccnc4ccsc34)CC2)ccn1 76061453 WAMQFJTYPOKEHU-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB Cc1nc(CNC(=O)Nc2ccc(-c3ccccc3)cc2)n[nH]1 76089405 UGCOFUHDILOWDZ-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB Cc1cc(C)n(Cc2cccc(N[C@@H](C)c3nnc(C)o3)c2)n1 79030878 JRWIEGGNINXADK-ZDUSSCGKSA-N 311.389 3.413 0 40 DGAB CN(C)c1nc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2o1 79095141 MXNKIDULGGEGHV-UHFFFAOYSA-N 317.295 3.424 0 40 DGAB CC[C@H](C)C(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79096219 KRVYJGXYRVSZTE-HOTGVXAUSA-N 318.461 3.049 0 40 DGAB Cc1ccc(C)c(CC(=O)Nc2cnn(C)c2-c2ccccn2)c1 79112033 LDYIXRFMYNLSIT-UHFFFAOYSA-N 320.396 3.280 0 40 DGAB C[C@@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)c1cccs1 84661314 FESGRBUAFMZXJT-ZYHUDNBSSA-N 317.414 3.476 0 40 DGAB Cc1cn2c(n1)[C@H](CNCc1csc(C3CC3)n1)CCC2 89702152 CPFICWHYGBIEOX-ZDUSSCGKSA-N 302.447 3.193 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CCC1)c1ccc2nncn2c1 89826056 ZBOHZKMVRGUZPF-KRWDZBQOSA-N 306.369 3.001 0 40 DGAB OCc1ccc(CN2CC[C@H](Oc3ccccc3Cl)C2)o1 93838484 NIKDWULZHKXRRF-ZDUSSCGKSA-N 307.777 3.079 0 40 DGAB CCSCCSc1nnc([C@H]2COc3ccccc3O2)o1 95401146 VPFIEYPEHSLNEC-GFCCVEGCSA-N 324.427 3.427 0 40 DGAB O=C(N[C@H]1CCCc2[nH]c(=O)ccc21)c1sccc1C1CC1 95956180 GPYNXQVQPACOCN-AWEZNQCLSA-N 314.410 3.121 0 40 DGAB CN(C[C@H]1CCCN(Cc2ccncc2)C1)C(=O)OC(C)(C)C 96424622 PUBAOYZKSSCSRZ-MRXNPFEDSA-N 319.449 3.161 0 40 DGAB O=C(CC[C@H]1CCCCO1)Nc1ccc(Br)cn1 96474154 GIQJQZHAAVDSFX-LLVKDONJSA-N 313.195 3.132 0 40 DGAB O=C(Nc1cccc(-c2c(F)cccc2F)c1)N1CC[C@H](O)C1 96501796 RVZVLOPFCITWOE-ZDUSSCGKSA-N 318.323 3.230 0 40 DGAB Cc1nc(C(C)C)sc1[C@H](C)NC[C@@]1(O)CCSC1 97017198 SOJMWKMEIFQMMM-HZMBPMFUSA-N 300.493 3.094 0 40 DGAB CC(C)c1ccc(C(=O)n2c(S)nc3ccccc3c2=O)cc1 103650405 OYLUGPSGWGGEJU-UHFFFAOYSA-N 324.405 3.497 0 40 DGAB Cn1/c(=N\C(=O)c2ccc[nH]c2=S)sc2ccccc21 104652479 JTQSELHBIDQCGL-JQIJEIRASA-N 301.396 3.038 0 40 DGAB O=C(NC1=NCCS1)[C@@H]1C[C@@H]1c1ccc(Cl)cc1Cl 107083953 CWTKTCBKHOAAAC-NXEZZACHSA-N 315.225 3.316 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2ccccn2)C(C)C)C1 107144746 LBLRRORVZQCSIZ-UMVBOHGHSA-N 307.463 3.362 0 40 DGAB Cc1ccc(F)c(CN[C@@H](C[S@@](C)=O)c2ccccc2)c1 154707303 JIZNWQKZXVJSAY-UWJYYQICSA-N 305.418 3.344 0 40 DGAB Cc1ccc(CCNC(=O)N(C)CC2(c3ccccc3)CC2)cn1 195571536 LFCSEOKISYJWLL-UHFFFAOYSA-N 323.440 3.306 0 40 DGAB O=C(NC[C@@H]1CCCN1c1ccccc1)c1c(F)cccc1F 207991250 POHSTUZBQRETFU-AWEZNQCLSA-N 316.351 3.364 0 40 DGAB COc1ccccc1O[C@H](Cc1ccc(Cl)cc1)C(=O)O 225061365 GQCRSGGTABRXLD-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB COCCCNC(=O)c1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225260407 AZAHXKCFFOQJDU-UHFFFAOYSA-N 323.396 3.305 0 40 DGAB CC[C@@H]1CCCCN1CCCNC(=O)c1ccc(OC)c(F)c1 225393188 SDWUJUKHWUNPDM-OAHLLOKOSA-N 322.424 3.219 0 40 DGAB Cc1onc(C(C)C)c1C(=O)N1CCCC[C@H]1c1ccn[nH]1 257257354 KPEHNRASRAACTJ-ZDUSSCGKSA-N 302.378 3.197 0 40 DGAB CO[C@@H](C)CN(C)C(=O)c1sc(-c2ccc(F)cc2)nc1C 257277088 NWIZHGWCJVLDKL-JTQLQIEISA-N 322.405 3.365 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257302591 SDMOHWOVBKQLSF-GFCCVEGCSA-N 301.415 3.246 0 40 DGAB COc1ccc([C@@H](CN(C)C)NC(=O)c2cscc2C)cc1 284297464 KOLAIUULPCNDRL-MRXNPFEDSA-N 318.442 3.098 0 40 DGAB Cc1ccc(C(=O)N2CC[C@@H](N3CCc4ccccc4C3)C2)cc1 408609891 PHJZVVLKUSLFFT-HXUWFJFHSA-N 320.436 3.268 0 40 DGAB COCCN1C(=O)S/C(=C/c2ccc(SC)cc2)C1=O 409131891 YXOXZESHIDMKMZ-FMIVXFBMSA-N 309.412 3.091 0 40 DGAB C[C@H]1CN(C(=O)NCCc2cccc(Cl)c2)CC2(CCC2)O1 575744190 HRWXYRBKCQBUHK-ZDUSSCGKSA-N 322.836 3.236 0 40 DGAB Cc1ccc(OCCNC(=O)NCc2occc2C)c(C)c1 581405223 IZZOCVCZFWXWKV-UHFFFAOYSA-N 302.374 3.083 0 40 DGAB Cc1cc(CN(C)C[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)no1 585136907 YJWVMLDLOLRZOE-ZFWWWQNUSA-N 323.437 3.108 0 40 DGAB CCOC(=O)c1cn(C)c2cc(Cl)cc(Cl)c2c1=O 1888921859 ZUFNVEFUPNNAIN-UHFFFAOYSA-N 300.141 3.022 0 40 DGAB Nn1c(SCc2cccc(F)c2)nnc1-c1ccccc1F 531977 YTJOVBASYVDENH-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB CCCc1cc2c(cc1S(=O)(=O)Nc1ccccc1)OCO2 1670451 KUDPZBCKGHDRPZ-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB CCN(CCO)CCCNc1ccnc2cc(Cl)ccc12 1706243 TUQGOHBCIDWLPB-UHFFFAOYSA-N 307.825 3.004 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1ccc(N(C)C)cc1 3328081 NBPYXCJJSSSXAT-UHFFFAOYSA-N 314.385 3.169 0 40 DGAB O=c1nc(SCc2c(F)cccc2Cl)c2c([nH]1)CCC2 4316917 CXOAMVMDCJYVKX-UHFFFAOYSA-N 310.781 3.343 0 40 DGAB CCc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678335 FZNKVXYWLZXRKA-QMTHXVAHSA-N 301.415 3.444 0 40 DGAB O=S(=O)(NCc1ccc(F)cc1)c1ccc2c(c1)CCCC2 7376703 DTEBUUZKOJRKPI-UHFFFAOYSA-N 319.401 3.183 0 40 DGAB O=C(Nc1ccc2nn(-c3ccc(F)cc3)nc2c1)C(F)(F)F 8071129 SEJWGIMBVXKWGN-UHFFFAOYSA-N 324.237 3.060 0 40 DGAB C[C@@H](NS(=O)(=O)C1=Cc2ccccc2CC1)c1ccncc1 12554689 CDSLHWXCXMHAJY-CYBMUJFWSA-N 314.410 3.049 0 40 DGAB c1ccc(CCN2CCN(c3ncnc4ccsc34)CC2)cc1 24717720 ZHPRVTHNGVXLKL-UHFFFAOYSA-N 324.453 3.056 0 40 DGAB COCCNCc1cccc(OC)c1OCc1ccc(F)cc1 8469238 OASDSMDHGXDJIW-UHFFFAOYSA-N 319.376 3.149 0 40 DGAB Cc1cc(NC(=O)N[C@@H](c2ccccc2)c2ccccn2)no1 12522112 DWJXDGCGWCILKN-INIZCTEOSA-N 308.341 3.289 0 40 DGAB Cc1ccccc1[C@@H]1CCCN1C(=O)Cc1c(C)nn(C)c1C 55780625 DDSKXTDYVWSMSV-SFHVURJKSA-N 311.429 3.252 0 40 DGAB O=C(COc1cccc(Oc2ccccc2)c1)Nc1ncccn1 3230016 JBPOWMPLLDXBQO-UHFFFAOYSA-N 321.336 3.286 0 40 DGAB CC(C)(C)OC(=O)NCCC(=O)N1CCSc2ccccc21 57884283 CQIUAKNCHXCMNX-UHFFFAOYSA-N 322.430 3.040 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)CNCc1ccc(Cl)cc1 58168493 UAVAHIPXGDOUCA-ZDUSSCGKSA-N 314.816 3.407 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)CNCc1ccc(Cl)cc1 58168491 UAVAHIPXGDOUCA-CYBMUJFWSA-N 314.816 3.407 0 40 DGAB CCN(CC(=O)Nc1ccc(OC(F)(F)F)cc1)C(C)C 58174377 ZOGVRYKLJHDPNM-UHFFFAOYSA-N 304.312 3.254 0 40 DGAB O=C(NCc1ccco1)N(Cc1cccs1)C[C@H]1CCCO1 44889908 FYTYPVICCOGDCC-CQSZACIVSA-N 320.414 3.232 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1cccs1 27664245 HQFFASQBQDDZMB-GFCCVEGCSA-N 306.456 3.377 0 40 DGAB CCOc1ccc(C2=C[C@@H](c3ccccc3)n3nnnc3N2)cc1 103570177 CNOYPXLJQVIFBJ-KRWDZBQOSA-N 319.368 3.128 0 40 DGAB CCN(C(=O)C1CC1)[C@@H](c1cccnc1)c1ccc2c(c1)CCO2 95396133 YQPCCMLWFFYFOZ-LJQANCHMSA-N 322.408 3.364 0 40 DGAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3nccs3)c2)n1 27970841 VCPRVTGOKJBRRZ-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB C[C@@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3370189 MCVFRPMOSOVZBK-LLVKDONJSA-N 317.458 3.238 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2ccc(Cl)cc2)C1=O 101275257 GLIKAWKFBRYZNN-AWEZNQCLSA-N 314.772 3.392 0 40 DGAB CC(C)(C)c1nc(CSc2ncn(-c3ccccc3)n2)no1 28016199 NSRGFAPYVYQCKS-UHFFFAOYSA-N 315.402 3.240 0 40 DGAB O=C(NCc1cccs1)c1cccc(Nc2ncccn2)c1 28097771 UHXNYMPHCKPXGF-UHFFFAOYSA-N 310.382 3.212 0 40 DGAB Cn1c(C(=O)N2CCO[C@H](c3ccccc3)C2)cc2ccccc21 36357040 ZJOKYBBMMVGVBC-IBGZPJMESA-N 320.392 3.392 0 40 DGAB C[C@H](Nc1cncc(Cl)n1)c1ccc(N2CCOC2=O)cc1 84651567 BIQUNZGVWMHVEG-JTQLQIEISA-N 318.764 3.260 0 40 DGAB CC(=O)c1ccccc1C(=O)NCc1ccc(-c2ccn[nH]2)cc1 72955994 HEAWHKUUUWXIMJ-UHFFFAOYSA-N 319.364 3.209 0 40 DGAB CCOc1ccc(OCC(=O)N[C@@H]2CCc3ccccc32)cc1 12995622 BTNRWXYCZJVXAE-GOSISDBHSA-N 311.381 3.268 0 40 DGAB O=C(COc1cccc(Br)c1)NC(C1CC1)C1CC1 12947263 ODVLQAXHOJHVPL-UHFFFAOYSA-N 324.218 3.133 0 40 DGAB COC(=O)[C@H](Nc1cc(OC)cc(OC)c1)c1ccccc1 9157384 YNCVGWOPJUUNBR-MRXNPFEDSA-N 301.342 3.030 0 40 DGAB CO[C@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 95412285 SLCPSCONXUPUPB-SJORKVTESA-N 303.450 3.119 0 40 DGAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC[C@@H](C)C3)c2c1 5024921 WFBMUBMHEDJCGU-GFCCVEGCSA-N 300.402 3.400 0 40 DGAB Cc1nn(C(C)C)c(C)c1NC(=O)c1cc2ccccc2c(=O)[nH]1 65003424 FZYGAVXIWRKHPB-UHFFFAOYSA-N 324.384 3.175 0 40 DGAB Cc1cc(CN(C)c2nc(-c3ccncc3)nc(C)c2C)no1 65502369 CQZFRPKLNCWYJN-UHFFFAOYSA-N 309.373 3.088 0 40 DGAB CN1CC[C@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)C1 65534639 QMYHNQJJMMROIT-NSHDSACASA-N 315.339 3.121 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1cc(-c2cccs2)n[nH]1 96118646 NXCPAMSHBALEKA-UHFFFAOYSA-N 316.411 3.336 0 40 DGAB COc1ccccc1-n1nnc(C(=O)Nc2ccc(C)cc2)c1C 4511594 GBJFJFBKHXXEPL-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB Cc1nc(NC(=O)Nc2ccn(Cc3ccccc3)n2)oc1C 65804156 JSQFVTPMOSGWRX-UHFFFAOYSA-N 311.345 3.180 0 40 DGAB COc1cccc([C@@H](CC(=O)O)NC(=O)Nc2ccccc2)c1 4689568 FIVKWOMLHGZXSX-OAHLLOKOSA-N 314.341 3.033 0 40 DGAB COc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C)O[C@H](C)C2 15250769 OCLBNEDXVITZEO-ADLMAVQZSA-N 324.380 3.215 0 40 DGAB O=S(=O)(Nc1ccccc1)c1ccccc1Br 7052509 AWKNJYBNCAEKMZ-UHFFFAOYSA-N 312.188 3.250 0 40 DGAB CN1CCCN(C(=O)c2cccs2)c2nc3ccccc3nc21 9446271 RTDUNLQRMHWYJP-UHFFFAOYSA-N 324.409 3.178 0 40 DGAB CCc1noc(CC)c1CC(=O)Nc1cccc(-c2cn[nH]c2)c1 90498576 MYWDJQGUZAEGRB-UHFFFAOYSA-N 324.384 3.371 0 40 DGAB c1ccc2oc(CSc3nnc4n3CCCCC4)nc2c1 7735588 NYTYIWLNKXGFRG-UHFFFAOYSA-N 300.387 3.438 0 40 DGAB Cc1cc(C)n2ncc(C(=O)N3CCC[C@@H]3C3CCCC3)c2n1 71820108 XPMUXUKEWCULRM-MRXNPFEDSA-N 312.417 3.141 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(N2CCCC2)c1 71853966 YCZUXJKDJNLKQD-KRWDZBQOSA-N 317.433 3.320 0 40 DGAB CC(C)Oc1ccc(CNC(=O)NCc2cccnc2)cc1F 71879644 FGSGBHFQUDNLLA-UHFFFAOYSA-N 317.364 3.007 0 40 DGAB CCNC(=O)COc1ccc(Cl)cc1Cc1ccccc1 8157383 RRLXGWHKFLNRJN-UHFFFAOYSA-N 303.789 3.446 0 40 DGAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@H]2CCCO2)o1 8157101 BNKZQOOTAVJXOR-CXAGYDPISA-N 312.369 3.334 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@H]1CN1CCCC1)c1ccc(F)cc1 69386107 TUHBCZHAOBBSJB-PBHICJAKSA-N 319.424 3.157 0 40 DGAB C[C@@H](NCc1csc(-c2ccco2)n1)[C@@H](C)n1cccn1 69372306 ONYYUFADYAAHSA-VXGBXAGGSA-N 302.403 3.339 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc(C(C)C)cc1O 69497575 JUNAHVQSOWUSJY-LLVKDONJSA-N 301.390 3.049 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1c(C)oc(C)c1C 8419921 SSTNXJXVLVYMNB-UHFFFAOYSA-N 317.341 3.009 0 40 DGAB Cn1ccc(NC(=O)c2cc(Br)ccc2Cl)n1 9884530 NBKROGKCMHUQGY-UHFFFAOYSA-N 314.570 3.088 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2Cl)cn1 72330264 CIFPEJXZOJAGTR-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1ccc([C@H](O)CN[C@@H](C)CC(=O)Nc2ccccc2)cc1 75572712 MVYIVVBGOJMVDA-MAUKXSAKSA-N 312.413 3.035 0 40 DGAB Cc1ccc([C@@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)s1 79354693 YXSJKRJWTBNYRG-ZDUSSCGKSA-N 318.446 3.172 0 40 DGAB O=C(c1ccc(F)cc1)N1CC[C@H](c2nc3ccccc3[nH]2)C1 35442868 BOYHSXAXDYPMMR-ZDUSSCGKSA-N 309.344 3.332 0 40 DGAB biogenic,in-vitro COc1ccc(NC(=O)c2cccc(OC(C)C)c2)c(N)c1 70462857 AKMMJECNKYCOSH-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB CCc1noc([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 41122343 XHXUWVTXUPOJCK-NSHDSACASA-N 305.403 3.022 0 40 DGAB C[C@@H]1CC[C@H](NC(=O)N(C)CC2(CO)CC2)c2ccccc21 187334581 KHINULWBJBPDGU-CJNGLKHVSA-N 302.418 3.039 0 40 DGAB O=C(NCCc1nc(-c2ccccc2)cs1)c1cccnc1 41538263 SZAFEROZNMGMTP-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB Cc1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)o1 49169593 VJBVOCJAPZEILI-AWEZNQCLSA-N 310.357 3.023 0 40 DGAB biogenic,in-vitro O=C1CCCN1CC[C@@H]1CN(C(=O)c2ccoc2)c2ccccc21 81645463 GLLBOERRCSIDTB-CQSZACIVSA-N 324.380 3.036 0 40 DGAB CO[C@@H]1CC[C@H](NC(=O)Nc2cccc(N(C)C(C)C)c2)C1 225563325 RYSWXDXJBGGJBN-GOEBONIOSA-N 305.422 3.220 0 40 DGAB COCCn1c(SCC(=O)C(C)(C)C)nc2ccccc21 40160327 XDIBPBOKRMYGEP-UHFFFAOYSA-N 306.431 3.390 0 40 DGAB CC[C@@H](C)NC(=O)[C@H](C)n1cc(-c2ccc(OC)cc2)cn1 227154299 DMSYEDOUPIGUCV-OLZOCXBDSA-N 301.390 3.034 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@H](C)c1csc(C(C)C)n1 225540673 VTHBBOGSEKIJMX-LLVKDONJSA-N 306.435 3.026 0 40 DGAB CC(C)c1noc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122528 JCVYIBCWAVUHQH-CYBMUJFWSA-N 320.437 3.415 0 40 DGAB COc1ccc(-c2nnsc2C(=O)N2CCC(C)CC2)cc1 225762963 TYYKQXSTYXMKFI-UHFFFAOYSA-N 317.414 3.086 0 40 DGAB Cc1ccnc(N2CCC(C(=O)Nc3cccc(F)c3)CC2)c1 195539177 NGMCEOWJFYAESA-UHFFFAOYSA-N 313.376 3.384 0 40 DGAB COc1ccc(CN2CCC[C@H]2C[C@@H](O)c2ccco2)cc1 195548518 RFDPTZQQZIRLQG-DOTOQJQBSA-N 301.386 3.376 0 40 DGAB CCc1noc(CN(C)C(=O)[C@@H](c2ccccc2)[C@@H](C)CC)n1 96408418 CZTHEDBZCOSPOC-SUMWQHHRSA-N 315.417 3.420 0 40 DGAB CC(C)[C@@H]1CN(C(=O)N[C@H](C)CC[C@H]2CCCO2)CCS1 230109963 PWCDWQLLPVAREC-KFWWJZLASA-N 314.495 3.117 0 40 DGAB CCO[C@H]1C[C@@H](NCCc2cn3c(n2)CCCC3)C12CCCC2 96493352 AZHRFBZNJWBEAJ-SJORKVTESA-N 317.477 3.089 0 40 DGAB O=C(O)c1cncc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 580785104 ODTRKWRBCMICEC-CQSZACIVSA-N 317.316 3.144 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@@H]2CCCN(C3CCCCC3)C2)CCO1 97235849 CUSBMZJTBYLZKV-LZLYRXPVSA-N 322.493 3.105 0 40 DGAB COC(=O)CCN(Cc1ccccc1)Cc1csc(C)n1 96413224 NKZOKIUKPRRNEQ-UHFFFAOYSA-N 304.415 3.017 0 40 DGAB Cc1cc2c(c(=O)[nH]1)[C@@H](c1cccc3ccccc13)CC(=O)O2 95473386 UXSJDGOMRPBEDY-OAHLLOKOSA-N 305.333 3.278 0 40 DGAB O=C(Nc1cccnc1N1CCCC1)N[C@@H]1CCCC(F)(F)C1 331744086 WZKHLCBZGBCISW-GFCCVEGCSA-N 324.375 3.381 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 539916371 DNBJSJMKKWTEGU-ROUUACIJSA-N 324.355 3.027 0 40 DGAB O=C(CC1(O)CCCCC1)N1CCC[C@H]1CCc1ccncc1 257343135 ZRQCKXOQAFYHTF-KRWDZBQOSA-N 316.445 3.091 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3ccncc3)N21 260781585 TZJNSLPGHMPJHY-BMFZPTHFSA-N 310.426 3.456 0 40 DGAB C[C@@]1(c2nc(Cc3ccccc3OC(F)F)no2)CCCO1 390834327 WJTNBSPYABESMF-HNNXBMFYSA-N 310.300 3.287 0 40 DGAB Cc1cncc(C(=O)N[C@H]2c3ccccc3CC23CCOCC3)c1 291924994 OTGKLZHMXHZGSX-SFHVURJKSA-N 322.408 3.214 0 40 DGAB Cc1ccc(-c2nc(CC(=O)Nc3nnc(C)s3)cs2)o1 31877574 JNEBMNRYOSPWLB-UHFFFAOYSA-N 320.399 3.053 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccccc2F)c2c(C)noc2n1 44893430 CMPPHQNQNBFDBV-UHFFFAOYSA-N 313.332 3.251 0 40 DGAB O=C(CCc1ccccc1)N(CC(F)(F)F)C1CCOCC1 75166645 SZLWZVSNLYFOFK-UHFFFAOYSA-N 315.335 3.189 0 40 DGAB OC[C@H](CN[C@@H]1CCCc2ccc(F)cc21)Cc1ccccn1 97034625 YOWIOKXKKQZEEK-IFXJQAMLSA-N 314.404 3.039 0 40 DGAB Fc1ccccc1C1(CN[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC1 89813372 YOBONGPSEQJALX-XYPHTWIQSA-N 301.405 3.405 0 40 DGAB CN(C1CCCCC1)S(=O)(=O)N1CCC[C@@H]1C1CCCC1 79287063 JAIZRRCBSIPTBZ-MRXNPFEDSA-N 314.495 3.150 0 40 DGAB O=C(NCC1(c2ccsc2)CCOCC1)c1ccsc1 952986023 GFIWDBVYUYQDMR-UHFFFAOYSA-N 307.440 3.288 0 40 DGAB COCCn1cc(NC(=O)NCc2ccco2)c2ccccc21 5266413 GBKVVAFBHGNXRU-UHFFFAOYSA-N 313.357 3.202 0 40 DGAB Brc1ccc(-n2nnc(-c3ccccc3)n2)cc1 5604609 GKNJPZZOFPKPLR-UHFFFAOYSA-N 301.147 3.092 0 40 DGAB CCc1nnc2sc(-c3cccc(Br)c3)nn12 12362960 YJNQLIHUKSITIQ-UHFFFAOYSA-N 309.192 3.178 0 40 DGAB COc1ccc(-c2cc(CC(=O)N3CCCC[C@@H]3C)no2)cc1 12866117 YOIIIEOGIUPCLQ-ZDUSSCGKSA-N 314.385 3.294 0 40 DGAB Cc1ccc(CN2CCc3nc([C@H]4CCCN4)ncc3C2)cc1C 19214014 QDJOSCBNVODECI-LJQANCHMSA-N 322.456 3.076 0 40 DGAB Cc1cncnc1-c1noc([C@H]2C[C@@H]2c2ccc(F)cc2F)n1 558334901 BITLXPQTHROHNX-NEPJUHHUSA-N 314.295 3.384 0 40 DGAB CC(C)c1nccc(N2CCC(c3nnc(C4CC4)o3)CC2)n1 1888856944 YMMJSRNMMGXEHZ-UHFFFAOYSA-N 313.405 3.244 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)NC2CCCC2)c1 1889114239 KEWJPUSYEAKFPJ-XYPWUTKMSA-N 302.422 3.012 0 40 DGAB COCc1c(C(=O)Nc2ncccn2)sc2cccc(F)c12 21211421 ZUMALPOMAIKZFO-UHFFFAOYSA-N 317.345 3.229 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2ccc(Cl)s2)cs1 23706592 DQPYMASDLLSREJ-UHFFFAOYSA-N 315.851 3.448 0 40 DGAB c1ccc(CSc2nnc3ccc(-c4cccnc4)nn23)cc1 5168405 FMBOQVCIVVQZMY-UHFFFAOYSA-N 319.393 3.479 0 40 DGAB COc1ccc2c(c1)C=C(C(=O)NCc1ccccc1)C=CO2 15838789 GFWYQCNRQFPTSX-UHFFFAOYSA-N 307.349 3.301 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 100376694 BYXMVCRHLWBFFG-WTTBSCSTSA-N 307.271 3.017 0 40 DGAB CCOC(=O)c1cnc2c(Cl)cccc2c1NCCN(C)C 144052 PBUKUBONNQAXMX-UHFFFAOYSA-N 321.808 3.038 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1 32736250 LRZRIVPIUMSYBJ-UHFFFAOYSA-N 308.381 3.064 0 40 DGAB O=C(Cc1ccccc1F)/N=c1\ccccn1Cc1ccccc1 32731134 HSDBKFAUCZACLN-ZBJSNUHESA-N 320.367 3.346 0 40 DGAB C[C@@H](NC(=O)CN1CCc2cc(F)c(F)cc21)c1ccccc1 32935643 UIKJQRUFCGQHEJ-GFCCVEGCSA-N 316.351 3.205 0 40 DGAB CC[C@H]1CCCCN1C(=O)c1nc(C)n(-c2ccc(F)cc2)n1 52735430 PICCLSHMZFENOV-AWEZNQCLSA-N 316.380 3.120 0 40 DGAB CCOc1ccccc1N1C(=O)[C@@H]2[C@@H](C1=O)[C@H]1C=C[C@H]2C1=C(C)C 102985298 VWCQAZFZWPMLER-LUVWLHFXSA-N 323.392 3.343 0 40 DGAB Cc1cc(S(=O)(=O)NCc2ccccc2)c2ncccc2c1 32971 OYMNBQPXJQSHOF-UHFFFAOYSA-N 312.394 3.022 0 40 DGAB O=C(O)C[C@H](Cc1ccc(Cl)cc1)C(=O)NC1CCCCC1 49605 GHUSEEMFLVKCNV-ZDUSSCGKSA-N 323.820 3.422 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(F)cc2)c1 148393 LGZGZPHZCRFWJO-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CC(=O)Nc1nnc(Cc2ccc(Cl)c(Cl)c2)s1 184261 JIMQGTFQCMYADY-UHFFFAOYSA-N 302.186 3.394 0 40 DGAB CCOC(=O)c1cccc(NC(=O)COc2ccc(C)cc2)c1 361882 VKPBPZNQNOFXQU-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC1(C)OC(=O)C(Cc2ccccc2)(Cc2ccccc2)C(=O)O1 1435745 KAWSTBSZVJLBEZ-UHFFFAOYSA-N 324.376 3.294 0 40 DGAB O=C(CCC(=O)n1cnc2ccccc21)n1cnc2ccccc21 1456973 JBXXPYRKOQRNQS-UHFFFAOYSA-N 318.336 3.147 0 40 DGAB Cc1cccnc1NC(=O)O[C@H]1CCN2Cc3ccccc3N=C12 4000470 COOSTMCHHFXMDB-HNNXBMFYSA-N 322.368 3.257 0 40 DGAB biogenic CCOc1ccccc1[C@@H]1[C@H]2CCCC[C@]2(O)CCN1C(C)=O 4064337 CTGDXOZPIXKQGX-QRQLOZEOSA-N 317.429 3.300 0 40 DGAB biogenic C[C@H]1CCCC[C@]12NC(=O)N(Cc1c(F)cccc1Cl)C2=O 4515323 YKPWFAVCIRGJGH-QFYYESIMSA-N 324.783 3.480 0 40 DGAB CCCCC[C@@H]1[C@@H](NCCCN(C)C)CC[C@@H]1CC(=O)OC 4834897 DITWSVCWNJUFDK-IKGGRYGDSA-N 312.498 3.066 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccccc2F)C1)N1CCCCCC1 5046999 YNWMNHOJYFOXBK-QGZVFWFLSA-N 318.436 3.440 0 40 DGAB Cc1nc(S[C@@H](C)C(=O)NC2CC2)n(C2CCCC2)c1C 5090227 LAWZBDCCMMOSMF-LBPRGKRZSA-N 307.463 3.374 0 40 DGAB O=C(CCNC(=O)c1ccccc1Cl)Nc1ccccc1F 5578117 JYFLLHFHFAIECS-UHFFFAOYSA-N 320.751 3.238 0 40 DGAB CCn1nnnc1NCc1ccc(-c2cccc(Cl)c2)o1 7602203 VWCNPHUKZZXHKI-UHFFFAOYSA-N 303.753 3.219 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc2c(c1)OCO2 7829468 MWKMJVVLECYQBT-JTQLQIEISA-N 301.367 3.236 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccsc1 7927078 KZGBYAMHQZDCLJ-GFCCVEGCSA-N 304.415 3.216 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)Cc1ccc(F)cc1 8120566 PQMZSYBIUDZDCT-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB Cc1c(Cl)c(CSc2n[nH]c(N)n2)nc2ccccc12 8491905 BNVMPTFNQFTFTF-UHFFFAOYSA-N 305.794 3.189 0 40 DGAB CCC(CC)C(=O)NCCc1cc2ccc(C)c(C)c2[nH]c1=O 8584018 BTYLISXJIAVERI-UHFFFAOYSA-N 314.429 3.240 0 40 DGAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@H]1CCCO1 8723783 JZQUWUVLIJVANI-GFCCVEGCSA-N 317.366 3.231 0 40 DGAB C[C@@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C 8746441 PRMYDDABRWONAV-CQSZACIVSA-N 303.450 3.392 0 40 DGAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)C1CCCCC1 8762734 BQQMSGOKHRIBIG-UHFFFAOYSA-N 312.413 3.457 0 40 DGAB C[C@@H](Sc1nnnn1Cc1ccccc1)C(=O)c1ccccc1 9053688 UDPKAOHPAKCFQZ-CYBMUJFWSA-N 324.409 3.085 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)NCCc1ccccn1 9313754 QHTHHRCYWGPWBQ-UHFFFAOYSA-N 309.344 3.050 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCCCCC1)C2 9970749 PIWZUYGSMGBKSL-DODZYUBVSA-N 309.494 3.455 0 40 DGAB O=C(CCNC(=O)Nc1ccccc1)Nc1ccc(F)c(F)c1 10491146 UDEZADWKQHFPCK-UHFFFAOYSA-N 319.311 3.115 0 40 DGAB CC(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10862084 YJVXQZGWLMFDFK-LURJTMIESA-N 309.671 3.249 0 40 DGAB O=C(CCC1CCCC1)Nc1ccc(CC(=O)NC2CC2)cc1 13715771 IXOKTGSLXYPKCK-UHFFFAOYSA-N 314.429 3.417 0 40 DGAB CC(C)c1n[nH]c(S[C@@H](C)c2nc3ccccc3c(=O)[nH]2)n1 14162683 IJFDNJRSHCQBOW-VIFPVBQESA-N 315.402 3.018 0 40 DGAB O=C(COc1ccccc1)NCc1cccc(C(F)(F)F)c1 14790077 NHJHHXMFVKAUJO-UHFFFAOYSA-N 309.287 3.401 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)c1cc(=O)[nH]c2ccccc12 14909949 FVIUJYPWWIMUGN-CQSZACIVSA-N 320.392 3.279 0 40 DGAB Cc1ccc([C@]2(O)CN3C=CC=CC3=[N+]2Cc2ccccc2)cc1 16944322 VUDWNMXTYXWQKA-OAQYLSRUSA-N 317.412 3.150 0 40 DGAB CCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)n1 18219303 FDPFHTIXKHWEAM-QMMMGPOBSA-N 310.810 3.140 0 40 DGAB c1ccc(-c2cc3ncccc3c(NC[C@H]3CCCO3)n2)nc1 19402589 KKWMFCZRIFPJOM-CYBMUJFWSA-N 306.369 3.283 0 40 DGAB COc1ccc(CN(CCN(C)C)Cc2cccs2)cc1 19582558 KUPHMIXZOJTULX-UHFFFAOYSA-N 304.459 3.321 0 40 DGAB CN(C)CCN(Cc1nc2ccccc2[nH]1)Cc1cccs1 19582661 DUXQNKVKNRUWCC-UHFFFAOYSA-N 314.458 3.188 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 20494979 YPAVRGKDMSYRHF-GFCCVEGCSA-N 323.389 3.015 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccccc3Cl)sc2C1 21294888 DWILWULVTVETHA-UHFFFAOYSA-N 321.833 3.427 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1ccccc1 22839492 WFYUYGUMMSGODU-SFHVURJKSA-N 311.429 3.333 0 40 DGAB COc1cccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1 29278580 MMSFJMHITVQEOZ-UHFFFAOYSA-N 307.353 3.267 0 40 DGAB C[C@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 29380456 VHUWBYJDTMTTJW-ZDUSSCGKSA-N 306.369 3.095 0 40 DGAB c1ccc2c(c1)OCC[C@H]2NCc1ccc(-n2cccn2)cc1 30545273 DCUDLZWUKHTEAJ-GOSISDBHSA-N 305.381 3.486 0 40 DGAB Cc1ccc2oc([C@H]3CCN(C(=O)c4cccnc4)C3)nc2c1 35442837 URYQCDZFRGFOPL-AWEZNQCLSA-N 307.353 3.161 0 40 DGAB biogenic,in-vitro CC[C@H](C)NC(=O)[C@@H](NC(=O)c1ccccc1Cl)C(C)C 36022404 ZSJSVCGUSBTCKC-FZMZJTMJSA-N 310.825 3.009 0 40 DGAB c1ccc(-c2csc3ncnc(NCCn4cncn4)c23)cc1 36833417 YWPGYDCAKBOPBV-UHFFFAOYSA-N 322.397 3.062 0 40 DGAB O=C(NCc1cccs1)NCC1(c2ccc(F)cc2)CC1 38489659 ROLARKOEWLAROO-UHFFFAOYSA-N 304.390 3.418 0 40 DGAB CC(C)CO[C@H](C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 40107877 CVXDCFGSRZRFCM-SNVBAGLBSA-N 320.311 3.022 0 40 DGAB O=C(NCc1ccc(OC2CCCC2)nc1)Nc1nccs1 40145432 RTMOLMFSGGQQAS-UHFFFAOYSA-N 318.402 3.181 0 40 DGAB COc1ccccc1[C@@H](O)CNC(=O)Nc1cc(C)cc(C)c1 40525956 YZFRTOXTXHOLAI-INIZCTEOSA-N 314.385 3.167 0 40 DGAB C[C@@H](NC(=O)CSCc1ccncc1)c1ccccc1F 40555287 AFGORJPZWNPXER-GFCCVEGCSA-N 304.390 3.331 0 40 DGAB O=C(NC[C@H]1CCOC1)c1cccc(OCc2ccccc2)c1 41379623 LNZROFOCUWMTOJ-MRXNPFEDSA-N 311.381 3.032 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccccc1F 44890285 OEYCVMYRUCFGHS-BBRMVZONSA-N 313.376 3.121 0 40 DGAB COc1cccc(CCNC(=O)Cn2c(C)cc3ccccc32)c1 48288667 CORPXKWQJFLDBK-UHFFFAOYSA-N 322.408 3.317 0 40 DGAB O=C(Nc1cccc(Br)n1)[C@H]1C[C@H]1c1ccco1 49424140 SJVSLUOCDZVAQO-BDAKNGLRSA-N 307.147 3.179 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)[C@@H]3C[C@H]3c3ccc(F)cc3)cc12 55396400 KFOJLQJCRQIPHT-JKSUJKDBSA-N 324.359 3.158 0 40 DGAB CN(Cc1ccccc1)CC1CCN(Cc2cccnc2)CC1 57844202 XGRULYCFGXTQOZ-UHFFFAOYSA-N 309.457 3.426 0 40 DGAB CC(=O)Nc1cccc(-n2cnnc2SC2CCCC2)c1 58245163 FHWFSUHDAAKTQB-UHFFFAOYSA-N 302.403 3.260 0 40 DGAB CN(Cc1cscn1)C(=O)c1cc(-c2cccc(F)c2)no1 58356800 NBAWTGNZOMHXGF-UHFFFAOYSA-N 317.345 3.209 0 40 DGAB Cc1csc(CNC(=O)NCC[C@@H](C)c2ccccc2)n1 65521860 TWMHWDYVWKVADG-GFCCVEGCSA-N 303.431 3.445 0 40 DGAB C[C@@H]1CNCCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 67799436 QKXBYOZSTDWNOD-SECBINFHSA-N 308.731 3.032 0 40 DGAB Cc1cccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@H]2C)c1C 69419802 QWUBMGZZCPSSRB-DYVFJYSZSA-N 322.408 3.311 0 40 DGAB CC(C)c1nnc2n1C[C@H](CNC/C=C/c1ccccc1)CC2 69597863 GBOJEVYLPUZXTB-NADMHLTPSA-N 310.445 3.267 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)CC(F)(F)C(F)F 69896158 PUBZXIVOCVBFOD-SNVBAGLBSA-N 316.302 3.161 0 40 DGAB Cc1cc(C)n(C2CN(Cc3coc(-c4cccs4)n3)C2)n1 71880605 CKRNNZACBQELAE-UHFFFAOYSA-N 314.414 3.273 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)C[C@H]1CCCc2ccccc21 71888260 BPXWRIUVPZPBOU-NVXWUHKLSA-N 301.430 3.382 0 40 DGAB O=C(Nc1cn[nH]c1)N1CCSC[C@@H]1c1ccc(Cl)cc1 72286636 KGAHKYLXQUGSEK-CYBMUJFWSA-N 322.821 3.385 0 40 DGAB Cc1ccc(CN2Cc3cc4ccccc4nc3O[C@@H](C)C2=O)o1 72346414 OUMBZSGQAFLWSW-ZDUSSCGKSA-N 322.364 3.446 0 40 DGAB O=C(N=c1[nH]cc[nH]1)c1ccc2c(ccn2Cc2ccccc2)c1 72402248 QIYNNYIQIUMHPB-UHFFFAOYSA-N 316.364 3.087 0 40 DGAB Cc1nc(NC(=O)[C@H]2CC2(Cl)Cl)ccc1Br 72512208 RXKJCDAOWOSDRU-ZCFIWIBFSA-N 324.005 3.285 0 40 DGAB Cc1cccc([C@@H](C)N2CCCN(C(=O)c3ccncc3)CC2)c1 72577774 IKVVMAIXZZGFSR-QGZVFWFLSA-N 323.440 3.299 0 40 DGAB Cc1ccc(OCc2nc(CNC[C@@H]3CCCO3)cs2)cc1 73696964 IFWDZTGKFMTLJZ-INIZCTEOSA-N 318.442 3.299 0 40 DGAB Cc1ccc([C@H](C)NC(=O)CC2CN(C(=O)OC(C)(C)C)C2)o1 73698032 FTDQARHHCBKBBY-LBPRGKRZSA-N 322.405 3.022 0 40 DGAB C[C@@H]1C[C@@H](c2cccc(F)c2)N(C(=O)[C@@H](C)n2cccn2)C1 76041874 WGXCDPBUECEFJN-IOASZLSFSA-N 301.365 3.193 0 40 DGAB CSC(C)(C)CNC(=O)Nc1cccc(Cn2cccn2)c1 76069553 SDKSWSUYNAKKFZ-UHFFFAOYSA-N 318.446 3.195 0 40 DGAB COC[C@@H](NC(=O)c1cccc2ncccc12)c1ccc(C)o1 76093500 RVCAXLRJDGEXDU-MRXNPFEDSA-N 310.353 3.254 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1cc(CC)no1 78333680 ZMFVURBRLZIQMZ-KBPBESRZSA-N 311.451 3.101 0 40 DGAB Cc1ccccc1S(=O)(=O)Cc1ccc(-n2cccn2)cc1 78554115 MFDGMWDZANTWFE-UHFFFAOYSA-N 312.394 3.155 0 40 DGAB C[C@@H](SCC(=O)NC1CC1)c1ccc(OC(F)F)cc1 78714621 HGQVZRZMJSYLHC-SECBINFHSA-N 301.358 3.361 0 40 DGAB CSc1ccc(C(=O)NCCn2c(C)nc3ccccc32)o1 78998555 UXUQKKYXXOIDGM-UHFFFAOYSA-N 315.398 3.090 0 40 DGAB Cc1noc(Cl)c1CC(=O)N(C)[C@H]1CCc2ccccc2C1 79311036 VRJZIEPEHFSZHO-AWEZNQCLSA-N 318.804 3.195 0 40 DGAB Cc1ccncc1NC(=O)NC[C@H]1CCO[C@@H]1c1ccccc1 89278229 UDWAWVZIUSDRKP-NVXWUHKLSA-N 311.385 3.289 0 40 DGAB Cc1ccoc1[C@H](C)N[C@@H](C)c1cccc(NS(C)(=O)=O)c1 89515253 YYUCBNYFHMADEZ-STQMWFEESA-N 322.430 3.371 0 40 DGAB CC[C@@](C)(CNC(=O)C1(c2cccc(F)c2)CCC1)[C@@H](C)O 89942062 DLIDSYVLTPKHMP-DYVFJYSZSA-N 307.409 3.161 0 40 DGAB Cc1c(Br)cccc1COC(=O)[C@H]1OCC[C@@H]1C 90398321 IHAUQQHRVLPOSO-ZANVPECISA-N 313.191 3.226 0 40 DGAB Cn1cccc1CN1CCC(C(=O)Nc2ccc(F)cc2)CC1 92965541 KAEXJONZHHKFID-UHFFFAOYSA-N 315.392 3.015 0 40 DGAB Cc1ccc(CN2CCC(OC3CCOCC3)CC2)c(C)c1 93140642 DSICTYQDWFMDQJ-UHFFFAOYSA-N 303.446 3.463 0 40 DGAB Brc1cc2c(s1)CCN(Cc1cccnc1)C2 95097538 JQBWFBLIXAKXSI-UHFFFAOYSA-N 309.232 3.464 0 40 DGAB CCOc1ccccc1CCC(=O)N[C@H]1CCC[C@@H](N(C)C)C1 95408052 BVBCURZBNLCSLC-DLBZAZTESA-N 318.461 3.007 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(-c3ccccc3)on2)o1 95459496 XXRXZCZLPYOQNK-UHFFFAOYSA-N 304.327 3.044 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H]1CCCC[C@H]1Cc1ccco1 95947379 HWANJUQKSBIAOP-WMLDXEAASA-N 316.401 3.345 0 40 DGAB C[C@H](NC(=O)C1CCC1)C(=O)N[C@@H]1CCCC[C@@H]1C(C)(C)C 95975594 YYZRYUPTWHKZOC-AEGPPILISA-N 308.466 3.012 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@H](O)c2cn(C)c3ccccc23)c1 96096410 TYXYBLSUIBACIQ-IBGZPJMESA-N 322.408 3.259 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@@]1(C)CC(c2ccccc2F)=NO1 96192664 MQWRDKBMYGSQGP-YVEFUNNKSA-N 304.365 3.110 0 40 DGAB COCc1ccc(C(=O)N2C[C@@H](C)C(=O)Nc3ccccc32)cc1 96418394 OVIMXBOVDCGNJI-CYBMUJFWSA-N 324.380 3.068 0 40 DGAB COCC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 96500194 SDQXSJCNKVFQHC-JTQLQIEISA-N 315.213 3.071 0 40 DGAB CC(C)(C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccc(F)cc1 97045087 SFGMMGSORQCCJH-CYBMUJFWSA-N 321.392 3.207 0 40 DGAB CCSCc1ccnc(NC(=O)NCc2ccccn2)c1 97107688 DTTAEDIXUNEJKX-UHFFFAOYSA-N 302.403 3.051 0 40 DGAB c1ccc2sc(N3CCO[C@@H](c4nccs4)C3)nc2c1 97203823 CWOKPXJAMDPFKJ-LLVKDONJSA-N 303.412 3.331 0 40 DGAB CC1([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)OCCO1 97372390 WTHBSWJIJZWVMM-JTQLQIEISA-N 315.822 3.017 0 40 DGAB C[C@H](C(=O)N(C)C1CCCCC1)N(C)Cc1cccc(F)c1 98068247 YEZWHLKULZFBPN-CQSZACIVSA-N 306.425 3.437 0 40 DGAB CN(Cc1ccc(Br)o1)C(=O)C1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12 107156877 AOLZZAJPQMCMCO-RBJBARPLSA-N 324.218 3.293 0 40 DGAB CCOC(=O)C(C)(C)c1csc(Cc2csc(C)n2)n1 123974652 HTDYZXOZFQBYDB-UHFFFAOYSA-N 310.444 3.340 0 40 DGAB C[C@H](N[C@H]1CCC[C@@H](C(F)(F)F)C1)C(=O)N1CCCCC1 127894668 QHTXAIRQYMWABB-XQQFMLRXSA-N 306.372 3.098 0 40 DGAB Cc1cc2ncc(NC(=O)c3cccc4ccccc34)cn2n1 206736843 ITPNOYIUZLVTGT-UHFFFAOYSA-N 302.337 3.443 0 40 DGAB O=C(NCCc1ccccc1)NC[C@H]1CCCN1c1ccccc1 211119917 NSGHOMMOXXPFEM-LJQANCHMSA-N 323.440 3.197 0 40 DGAB CC(C)n1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2C)c1 222726666 GEIKJFUVYUWXMQ-GJZGRUSLSA-N 300.431 3.066 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CC 223190534 RZQBEBROAKTTHZ-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB CSc1ccccc1NC(=O)CN(C)c1ccnc(C)c1 225592243 RGKKXSYVAPGHEF-UHFFFAOYSA-N 301.415 3.187 0 40 DGAB COc1ccccc1NC(=O)c1cc2cccc(C)c2oc1=O 226034855 PEAZKDCBECONBQ-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2C)cc1 226238354 HQXDFEPWCKLPOU-UHFFFAOYSA-N 313.426 3.266 0 40 DGAB CC1(C)[C@@H](O)CC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO 238748995 JRMZVZSBORMZSD-IZVMADOGSA-N 322.489 3.113 0 40 DGAB biogenic,in-vitro O=C([C@@H]1C[C@H]2C=C[C@H]1C21CC1)N1CCC(Oc2cccnc2)CC1 247952097 TXZFJCDKFITFOC-ZTFGCOKTSA-N 324.424 3.054 0 40 DGAB CC(C)n1ccc(CN2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)n1 252550551 SSEWRJFLGGVWAS-RHSMWYFYSA-N 321.371 3.050 0 40 DGAB CCCN1C(=O)N/C(=C/c2ccc(-c3ccc(F)cc3)o2)C1=O 409247341 MZEJJZKAYADCCK-GXDHUFHOSA-N 314.316 3.388 0 40 DGAB Cn1c(SCC2(C)CCOCC2)nnc1-c1cccs1 585119073 OWBVKKARFQIVAI-UHFFFAOYSA-N 309.460 3.452 0 40 DGAB CC[C@@H](C)Cc1nc(C2(COCc3ccccc3)COC2)no1 585120513 RXEOTSCAPWCYTN-CQSZACIVSA-N 316.401 3.143 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CC(n2cnc3ccccc32)C1 1776008262 AMONBWLTWCSYTA-UHFFFAOYSA-N 319.355 3.245 0 40 DGAB Clc1ccccc1CN1CCC(COc2cnccn2)CC1 1849135443 HXVLJELSSGMNIX-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB CC(C)c1nccc(N2CCC(Oc3nccs3)CC2)n1 2086854474 GIOJTUMNBGTQNN-UHFFFAOYSA-N 304.419 3.104 0 40 DGAB O=S(=O)(Nc1ccc(Br)cc1)c1cccs1 249331 ZWWHUHGCOHVBLG-UHFFFAOYSA-N 318.217 3.311 0 40 DGAB CC1=C[C@H](C)[C@@]2(CO)CO[C@@H](c3ccc4c(c3)OCO4)[C@@H]1[C@@H]2C 519391 SCKWFJBWUFTIAS-XRJOUIEWSA-N 316.397 3.314 0 40 DGAB biogenic O=C1O[C@@H]([C@@H]2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 1646124 AMJPNPLLTGFUIC-VQIMIIECSA-N 304.345 3.442 0 40 DGAB CCOc1ccccc1[C@@H]1[C@@H]2CCCC[C@]2(O)CCN1C(C)=O 4064335 CTGDXOZPIXKQGX-UHOSZYNNSA-N 317.429 3.300 0 40 DGAB biogenic CCCNC(=O)N(Cc1nc(-c2ccccc2)no1)C(C)C 5451738 BSCLEDSAYCQSOE-UHFFFAOYSA-N 302.378 3.067 0 40 DGAB Cc1cccn2c(NC(=O)[C@@H]3CCCO3)c(-c3ccccc3)nc12 6610570 UURITQKOUFUMHX-HNNXBMFYSA-N 321.380 3.427 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1)c1ccc2c(c1)CCC2 7405436 XQIVZMRATYILJF-UHFFFAOYSA-N 309.337 3.254 0 40 DGAB CS(=O)(=O)c1cccc(NC(=O)CCCc2cccs2)c1 7944451 PYNYQCFVSHGUFJ-UHFFFAOYSA-N 323.439 3.113 0 40 DGAB COc1ccc(C)cc1NC(=O)c1nn(-c2ccccc2)nc1C 7971418 SWKYRWAIUKKRLW-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB COc1ccc(CNC(=O)CCc2nc3ccccc3o2)cc1 8277095 RXCLDBUSZBJWRL-UHFFFAOYSA-N 310.353 3.085 0 40 DGAB COc1ccc(OC)c(NC(=O)CSc2nc(C)c(C)o2)c1 8298783 VKGLSAMQORYKEF-UHFFFAOYSA-N 322.386 3.039 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N(C)C2CCC(C)CC2)cc1 8389932 XZUYISSHQRUQEO-UHFFFAOYSA-N 309.431 3.088 0 40 DGAB O=C(Cc1csc(SCc2ccc(F)cc2)n1)NC1CC1 8854206 ANVSDZBOKORGDU-UHFFFAOYSA-N 322.430 3.396 0 40 DGAB C[C@H](Cc1nnc(NC(=O)[C@H]2CCCO2)s1)c1ccccc1 9095492 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27808918 NZCGVSBYUPSQDE-LBPRGKRZSA-N 318.446 3.408 0 40 DGAB CCOCc1ccccc1CNC(=O)c1ccc(F)c(F)c1 30509294 WPEIAMQVIROKNO-UHFFFAOYSA-N 305.324 3.431 0 40 DGAB COc1ccccc1CNC(=O)NCC1(c2ccccc2)CC1 31028456 OSPMXPLVLFJQNK-UHFFFAOYSA-N 310.397 3.226 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)cn1 31400635 GGYWQDUKGQRUSQ-ZDUSSCGKSA-N 323.396 3.230 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1ccsc1 32727294 SCEFHXMMMYCXLD-PSKZRQQASA-N 315.394 3.060 0 40 DGAB COc1ccc(C(=O)Nc2cccc(-c3nnco3)c2)cc1F 32777357 MBLDVYDVFJNAIL-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB CC(C)(C)OC(=O)N1CCCCCN1C(=O)c1ccc(N)cc1 32911344 PRZLFYZGKUTAKL-UHFFFAOYSA-N 319.405 3.047 0 40 DGAB Cc1nc(C(C)C)ncc1C(=O)NCc1ccccc1Cl 35503385 REXGVPORIRKJSJ-UHFFFAOYSA-N 303.793 3.492 0 40 DGAB O=C(NCc1c(F)cccc1F)c1csc(-n2cccc2)n1 38679095 MKYANHIMXZFMDQ-UHFFFAOYSA-N 319.336 3.142 0 40 DGAB CC(=O)N1CCc2ccc(NC(=O)Nc3ccccc3F)cc21 38709494 ZDCRNAJXPDUPCI-UHFFFAOYSA-N 313.332 3.379 0 40 DGAB C[C@]1(C(=O)Nc2ccccc2-n2cccn2)CC1(Cl)Cl 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324.306 3.032 0 40 DGAB COCCn1cnnc1S[C@H](c1ccccc1)C(F)(F)F 69816728 SHDCBPDFWAMJNU-LLVKDONJSA-N 317.336 3.320 0 40 DGAB CCCCCN(Cc1ccc(F)cc1)C(=O)c1nccnc1N 70015403 PNBUCCUPXNFDNZ-UHFFFAOYSA-N 316.380 3.031 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2csc3c2CCCC3)cn1 71796881 SHGNMOGJLHRUEX-HNNXBMFYSA-N 315.442 3.338 0 40 DGAB CSCC(=O)N(Cc1ccccn1)Cc1ccccc1C 71900204 QOVBFHVBLFUBNY-UHFFFAOYSA-N 300.427 3.282 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1ccccc1 72227109 XSTYFAKLOQDJDA-KBPBESRZSA-N 306.287 3.121 0 40 DGAB CCc1ccc([C@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227987 BNBGCMKLKWBJOL-HOTGVXAUSA-N 300.789 3.318 0 40 DGAB CC(C)c1nc([C@@H]2CCCN(C(=O)[C@H]3CC=CCC3)C2)no1 72232209 ZOLJSIWIHCKVGS-UONOGXRCSA-N 303.406 3.255 0 40 DGAB Cc1cc(N2CCC[C@@H]2c2cccc(-n3ccnc3C)n2)ncn1 72355596 YUGLCOCIHATUBI-MRXNPFEDSA-N 320.400 3.016 0 40 DGAB CC(=O)N1CCC[C@@H]1c1nc(C)cc(NC2CCCCC2)n1 72364684 LFGLXEHAAJDQCW-OAHLLOKOSA-N 302.422 3.213 0 40 DGAB CC(=O)N1CCC[C@@H](c2csc(Nc3ccccn3)n2)C1 72368097 RLSBDKILLKVQGU-GFCCVEGCSA-N 302.403 3.008 0 40 DGAB COc1ccccc1Oc1ccc(NC(=O)[C@H]2CCCN2)cc1 73350856 BKBYWEQBTCXFKS-OAHLLOKOSA-N 312.369 3.178 0 40 DGAB C[C@H](OC(=O)c1cncc(Br)c1)c1ccccn1 73529042 IKKAGZPNADFLBM-VIFPVBQESA-N 307.147 3.157 0 40 DGAB COc1ccc(-c2nc3ccc(-n4cnnc4)cc3o2)cc1OC 73640105 XJTQRXAYJXTQPH-UHFFFAOYSA-N 322.324 3.093 0 40 DGAB O=C(NC[C@H](O)c1cccs1)c1cccc(C(F)(F)F)c1 75155983 WCUZWYWMAVKYGE-NSHDSACASA-N 315.316 3.230 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)c1 76652520 XXEJQNQXSCHNJB-AWEZNQCLSA-N 314.360 3.061 0 40 DGAB C[C@H](O)CC(C)(C)CNC(=O)NCc1coc2ccccc12 78941908 HKXUSTCDSPHTQW-LBPRGKRZSA-N 304.390 3.029 0 40 DGAB CC(C)OCCCNC(=O)c1cccc(Oc2ccncc2)c1 79034119 WHAPRZPCINBTMG-UHFFFAOYSA-N 314.385 3.419 0 40 DGAB Cc1nccc(CNC(=O)N2CCCC[C@H]2Cc2ccccc2)n1 84290735 FBYRPKZXXMMWHS-SFHVURJKSA-N 324.428 3.092 0 40 DGAB COc1cc2c(Br)c(C(=O)O)cnc2cc1Cl 85386348 MJULDOZWQLUWLS-UHFFFAOYSA-N 316.538 3.358 0 40 DGAB Cc1ncsc1CNC(=O)N(C1CC1)[C@@H](C)c1ccco1 86393341 JLORUQCRNUWMSP-NSHDSACASA-N 305.403 3.480 0 40 DGAB CC(=O)N[C@@H](C)C(=O)Nc1cccc(CSC(C)C)c1C 89540390 URDQHLCTLOQYIV-LBPRGKRZSA-N 308.447 3.100 0 40 DGAB Cc1ccc(C(=O)N2CC[S@@](=O)C[C@H]2c2ccccc2)s1 89656263 LBGXKWIFJHPVGU-QKKBWIMNSA-N 319.451 3.002 0 40 DGAB C[C@@H]1CCC[C@H](OCC(=O)Nc2cccc(-c3nnco3)c2)C1 89927350 QLIZBPPZKUXFTM-DOMZBBRYSA-N 315.373 3.270 0 40 DGAB CC[C@H](NC(=O)CCCc1ccc(C)s1)c1nc(C)n[nH]1 89943707 OSTFYTOZVUIDFJ-ZDUSSCGKSA-N 306.435 3.073 0 40 DGAB Cc1cc(CNC(=O)C[C@H](CC(=O)O)c2cccs2)c(C)o1 90607359 WUSZOOMPIHNMQD-GFCCVEGCSA-N 321.398 3.223 0 40 DGAB Cc1cc(C)cc(C2=CCN(C(=O)NCc3cnn(C)c3)CC2)c1 94020697 ZSZIVXFXRRPSEN-UHFFFAOYSA-N 324.428 3.036 0 40 DGAB CCc1ccc([C@@H](C)NC[C@@H]2CCN(CC(F)(F)F)C2)o1 95420512 STLKUDJDLBPOJR-NEPJUHHUSA-N 304.356 3.377 0 40 DGAB CCOC[C@H]1CC2(CCN(Cc3ccccc3OC)CC2)CO1 96105901 WPWIBWSVYJLPKB-QGZVFWFLSA-N 319.445 3.103 0 40 DGAB CO[C@@H]1CCN(C(=O)c2cccc(C)c2)[C@H]1Cc1ccccc1 96261265 HYECVNDHCOXPSQ-RBUKOAKNSA-N 309.409 3.467 0 40 DGAB COC(=O)[C@H](Sc1nncn1C(C)(C)C)c1ccc(F)cc1 96409789 IZIQTUNJRWPPDA-GFCCVEGCSA-N 323.393 3.179 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)c2cscn2)[C@H](C)CO1 96425674 VVDQGZPPRHPXIF-DOMZBBRYSA-N 302.399 3.054 0 40 DGAB O=C([C@H]1CCC[C@H](C(F)(F)F)C1)N1CCOc2ncccc21 96451733 ILWZCVDJEVDYFU-QWRGUYRKSA-N 314.307 3.176 0 40 DGAB Cc1cnc(CCN[C@@H](Cc2ccncc2)C(F)(F)F)s1 96478457 WKEWRKJXFRVEPI-LBPRGKRZSA-N 315.364 3.152 0 40 DGAB C[C@@H](C(=O)N[C@@H](CC(=O)O)c1cccs1)c1cccs1 96479651 VBFWOXNOOZQLDI-ZJUUUORDSA-N 309.412 3.245 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)[C@@H]1CCC(=O)C[C@@H]1C 97022863 WQJSUFFXIURRMP-SUMWQHHRSA-N 303.402 3.049 0 40 DGAB C[C@H](Nc1cccc(F)c1)c1ccc(NS(C)(=O)=O)cc1 97037045 NSTFCCZUAFHRKJ-NSHDSACASA-N 308.378 3.370 0 40 DGAB CCn1cc(N[C@@H](C)C(=O)Nc2cccc(SC)c2)cn1 97139857 UYAAASBRIPFAQP-NSHDSACASA-N 304.419 3.064 0 40 DGAB CCc1ccccc1NC(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100270622 OOAOSOAEXSJSJL-QZTJIDSGSA-N 301.386 3.309 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C[C@H]4[C@@H]5C[C@H]([C@@H]42)[C@@H]1[C@H]53 100884645 OLRUHJPVOOXZIZ-GEBRJNTDSA-N 304.025 3.250 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)[C@H]1C[C@H]2CC[C@H]1C2 102328187 JYRNXDJHWBLHAC-MPPDQPJWSA-N 315.385 3.068 0 40 DGAB CC[C@H](NC(=O)N1C[C@@H]2[C@@H](C1)[C@H]1CC[C@H]2O1)c1ccc(C)cc1 107146280 ICJUSYNJZGXXHK-UYTYNIKBSA-N 314.429 3.265 0 40 DGAB CCN1CCC[C@H](NC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)C1 108067015 PMIRNAAXHVCTAE-VQHPVUNQSA-N 307.482 3.129 0 40 DGAB CC(C)n1cc(C(=O)OCc2nc3ccc(F)cc3o2)cn1 195577035 LKBSVLHBIWUKHN-UHFFFAOYSA-N 303.293 3.101 0 40 DGAB Cc1ccccc1[C@H]1CCN(C(=O)C2CCOCC2)CCS1 219290287 GMVMUNFBENZJOC-QGZVFWFLSA-N 319.470 3.428 0 40 DGAB COc1cccnc1NC(=S)NCCCc1ccc(C)cc1 225390242 CWMYGWZJZJASRC-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB O=C(Cc1cccc2ccccc12)NCc1cnn2c1CCCC2 225609763 OGBHLHHGZVBFOH-UHFFFAOYSA-N 319.408 3.232 0 40 DGAB CCCNC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826863 QTTJEKKSRTWUCK-UHFFFAOYSA-N 309.369 3.349 0 40 DGAB Cc1ccccc1N1CCN(c2nc(C(C)C)ns2)CC1 301564522 JGTCOOQWJNBHAA-UHFFFAOYSA-N 302.447 3.297 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)NC2CCCCC2)CC1 408708128 VCBQKNXBLATUCV-UHFFFAOYSA-N 308.466 3.156 0 40 DGAB O=C1S/C(=C\c2ccc(O)cc2O)C(=O)N1c1ccccc1 408818692 OKQFWKCDVMUPCZ-ZSOIEALJSA-N 313.334 3.339 0 40 DGAB Cc1ccc2c(c1)CN([C@H](C)c1ccc(C(=O)O)o1)CCO2 519543395 DVFGSISVSOHQEX-GFCCVEGCSA-N 301.342 3.242 0 40 DGAB CC1(C)CCC[C@@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)C1 560662255 RSJRTSGEJRURGP-CQSZACIVSA-N 315.417 3.129 0 40 DGAB COCOc1ccc(OC)cc1CNC(C)(C)C(F)(F)F 585116742 HDMMITPWQGZMLE-UHFFFAOYSA-N 307.312 3.108 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1c(Cl)cccc1Br 1083806337 KBVNMKXWEIHDLZ-ZANVPECISA-N 318.642 3.006 0 40 DGAB FC(F)(F)c1cccc(N2CC(COc3cccnc3)C2)n1 1776001676 GBLSGFOAQLFIES-UHFFFAOYSA-N 309.291 3.011 0 40 DGAB COC(=O)CCC(=O)c1cc2cc(Br)ccc2o1 36664 YYYCSOINNBDGMS-UHFFFAOYSA-N 311.131 3.331 0 40 DGAB COc1cc(/C=C2\N=C(c3ccccc3)OC2=O)cc(OC)c1 102438 ZBJVMNKSVRSROR-YBEGLDIGSA-N 309.321 3.048 0 40 DGAB C[C@H](CN1CCCC1)OC(=O)c1ccc(Br)cc1 210700 FTGYIFWMHPWALZ-LLVKDONJSA-N 312.207 3.090 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(C(=O)OC)cc1 479596 HCRUNNDNQPASSB-MRXNPFEDSA-N 313.353 3.269 0 40 DGAB CCc1ccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)cc1 538858 JUHVQONDVQAESS-UHFFFAOYSA-N 321.380 3.371 0 40 DGAB O=C(COC(=O)c1ccc2ccccc2n1)Nc1ccc(F)cc1 3312940 QBGJSLDLOYHSFL-UHFFFAOYSA-N 324.311 3.169 0 40 DGAB O=C(CCNC(=O)OCc1ccccc1)NC1CCCCCC1 3664497 VHBWXJQNGCAZCZ-UHFFFAOYSA-N 318.417 3.142 0 40 DGAB COc1ccccc1NC(=O)CCc1nc(-c2ccccc2)no1 4384071 GKUYDPWWOGXQHX-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C 4667053 ABRJJNZZOYILCW-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CC(C)c1ccc(CN2C(=O)c3ccccc3S2(=O)=O)cc1 4846644 CQORCWLHDBINJD-UHFFFAOYSA-N 315.394 3.155 0 40 DGAB CCOC(=O)C1=C(C)N=C(NC)S[C@@H]1c1ccc(C)cc1 4942646 GTYYMMWABGIWLL-CQSZACIVSA-N 304.415 3.195 0 40 DGAB CCc1cccc(NC(=O)C2CCN(c3nccc(C)n3)CC2)c1 4965968 MUPWBMSEDPZCIR-UHFFFAOYSA-N 324.428 3.203 0 40 DGAB CC(=O)c1cccc(NC(=O)CSc2nnc(C(C)C)o2)c1 6201609 VOQUDJFLTXKWCD-UHFFFAOYSA-N 319.386 3.126 0 40 DGAB CC(C)c1ccc(C(=O)OCC(=O)NCc2cccs2)cc1 6365089 BINXKWRIEMGAGA-UHFFFAOYSA-N 317.410 3.345 0 40 DGAB O=C(NCCOc1ccccc1)c1cc2c(s1)CCCC2 8518135 FZJSOYBMUAFFKD-UHFFFAOYSA-N 301.411 3.436 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1cn2ccccc2n1 8746519 CNWBECVUQLJIOI-UHFFFAOYSA-N 301.733 3.249 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H]2Oc3ccccc3O[C@H]2C)c1 9457660 SPOSRXKOQMQOBV-YVEFUNNKSA-N 311.337 3.056 0 40 DGAB CCc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 9640538 OMQWHLSBUWADJK-UHFFFAOYSA-N 308.337 3.346 0 40 DGAB CCCC(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 9648832 GFLWPAFZENABKB-UHFFFAOYSA-N 315.442 3.440 0 40 DGAB Cc1nc2cc(NC(=O)[C@@H]3CC(=O)Nc4ccccc43)ccc2o1 9709885 CWXNKWKLCACQTQ-CYBMUJFWSA-N 321.336 3.201 0 40 DGAB COC(=O)c1cc(/C=C/C(=O)N(C)C2CCCCC2)oc1C 9725642 AHLDFAIFXRLXCL-MDZDMXLPSA-N 305.374 3.179 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1c(F)cccc1F 12542309 FWXLLIIFQCZNDJ-LLVKDONJSA-N 302.324 3.355 0 40 DGAB COc1ccc(OCCCSC2=N[C@@H]3CCCC[C@H]3N2)cc1 12971430 JRFUFLALEWPRFO-HZPDHXFCSA-N 320.458 3.468 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2c(C)noc2C(C)C)c1 14138728 ZYMAPYJCGSFABL-UHFFFAOYSA-N 315.373 3.108 0 40 DGAB COc1ccc(C(=O)NCCCN(C)c2ccccc2)cc1F 17827016 QVZZVMORSMKXHO-UHFFFAOYSA-N 316.376 3.091 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)c1ccsc1 18147018 DISGCXROUKHWDQ-UHFFFAOYSA-N 308.790 3.078 0 40 DGAB Cn1nccc1-c1cc(C(=O)NC2(C)CCC2)c2ccccc2n1 19461174 NNKLFYMAOPQKJZ-UHFFFAOYSA-N 320.396 3.308 0 40 DGAB Cc1ccc(-n2nc(C(=O)O)c3ccccc3c2=O)cc1Cl 22143945 QKDNCATVKRTYHM-UHFFFAOYSA-N 314.728 3.046 0 40 DGAB CN(Cc1cc(=O)n2ccccc2n1)[C@H]1CCCc2ccccc21 27906420 DMZBMWUFDRSGIQ-SFHVURJKSA-N 319.408 3.204 0 40 DGAB Cc1cc(C)n(Cn2ccc(C(=O)Nc3c(C)cccc3C)n2)n1 28230773 HHYMKMPAIYXSSM-UHFFFAOYSA-N 323.400 3.071 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2c(F)cccc2F)c1 30864279 NAPQRRQDBZEPTP-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB C[C@@H]1CCCCN1C(=O)Cc1csc(-c2ccccn2)n1 31865142 AUFROAKQFAMYJG-GFCCVEGCSA-N 301.415 3.149 0 40 DGAB CCCCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OCC)=C1C 33915139 LVSVZPGCIUHEQK-MRXNPFEDSA-N 316.401 3.390 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)c1C 36635723 ABDYWYIDLZCOCG-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB CSc1cccc2sc(NC(=O)c3c(C)cnn3C)nc12 38506553 ZXNHDJURFIVUAQ-UHFFFAOYSA-N 318.427 3.312 0 40 DGAB COc1ccc(CC(=O)N2CCCc3ccc(F)cc32)cc1F 40117279 BXYJESBGDSEBOS-UHFFFAOYSA-N 317.335 3.495 0 40 DGAB O=C(NCCOc1cccc(Cl)c1)c1ccc[nH]c1=S 40536171 SPSHSICYSYKZJJ-UHFFFAOYSA-N 308.790 3.206 0 40 DGAB CC(C)c1noc([C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41124152 OAVGCMDWJTXXEK-LBPRGKRZSA-N 319.430 3.203 0 40 DGAB O=C(CSCc1cccnc1)NC12CC3CC(CC(C3)C1)C2 41748403 BBLKOUGOYMTOJD-UHFFFAOYSA-N 316.470 3.400 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 42646698 QVXUSQFRHFBGDE-CZUORRHYSA-N 302.418 3.443 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCO2)c1)c1cc2ccccc2o1 43282941 AKTJTKCTLUOSHV-AWEZNQCLSA-N 311.341 3.061 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1cccc(-c2nnco2)c1 44087551 TXOIEHBOXAVKRP-UHFFFAOYSA-N 308.341 3.401 0 40 DGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCOC(C)C 44884893 XYILZWWHAKJYLW-OAHLLOKOSA-N 313.825 3.429 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3cccs3)n2)[C@@H](C)CO1 45448358 UCKVVFYIBSLBSV-UWVGGRQHSA-N 308.428 3.121 0 40 DGAB CC(C)Oc1cccc(CNC(=O)Cc2ccccc2F)c1 46664245 MEXPFVUIXBUTPS-UHFFFAOYSA-N 301.361 3.472 0 40 DGAB CCCOc1ccc(Cl)cc1NC(=O)N1CCC[C@H](O)C1 47759659 RIDFQFBRVMKKEK-LBPRGKRZSA-N 312.797 3.117 0 40 DGAB COCc1nc(C(=O)N[C@@H](C)c2cc(C)sc2C)cs1 49158285 DMVBKIIRBSWUCF-VIFPVBQESA-N 310.444 3.459 0 40 DGAB O=C(Nc1ccc(Cl)c(F)c1)[C@H]1CCCN(C(=O)C2CC2)C1 49244254 WISQRGIFTGAMCC-NSHDSACASA-N 324.783 3.066 0 40 DGAB COc1cccc2ccn(CCC(=O)NC[C@H]3C[C@@H]4C=C[C@H]3C4)c12 49543629 AVUFHUJGRKQEIP-HYVNUMGLSA-N 324.424 3.368 0 40 DGAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccccc1Cl 51319327 PLXWBXGCOQOILD-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB CCc1ccccc1NC(=S)N1CC(=O)Nc2ccccc21 52510681 NQLLDEUVSFXQFP-UHFFFAOYSA-N 311.410 3.405 0 40 DGAB COc1cccc(-c2nnn(CCCOc3cccc(C)c3)n2)c1 58044426 OXUKJHMYPKKOIW-UHFFFAOYSA-N 324.384 3.126 0 40 DGAB CON(C)C(=O)c1cccc(C)c1NC(=O)c1ccccc1F 58156518 YYULEVFAOCNVFJ-UHFFFAOYSA-N 316.332 3.020 0 40 DGAB CCOc1cc(/C=C/c2ncc(C(=O)NC)s2)ccc1OC 58343831 ZWESYYBXEMBTSD-SOFGYWHQSA-N 318.398 3.080 0 40 DGAB O=C(CC[S@](=O)Cc1cccc(F)c1)Nc1ccc(F)cc1 58439244 SYOHMVWZZFTURS-JOCHJYFZSA-N 323.364 3.242 0 40 DGAB CN(C)CC(C)(C)CNC(=O)C1(c2ccc(Cl)cc2)CC1 60624743 RTNXRXOXQUMJAK-UHFFFAOYSA-N 308.853 3.076 0 40 DGAB O=C(CNc1ccc(SC(F)F)cc1)NCc1ccco1 61803548 ZBWBEWPSXTUZDT-UHFFFAOYSA-N 312.341 3.323 0 40 DGAB CCn1c2ccccc2c2cc(NC(=O)[C@H]3CCC(=O)N3)ccc21 65625138 HWOJZKLFCKPXQH-OAHLLOKOSA-N 321.380 3.032 0 40 DGAB CN1CCOC[C@H]1c1nc(-c2ccc(C(F)(F)F)cc2)c[nH]1 67898580 BNZPXRJHORLOCJ-ZDUSSCGKSA-N 311.307 3.099 0 40 DGAB biogenic,in-vitro C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccccc1F 71858966 RFWVBCVHLGPJJA-WHEQGISXSA-N 319.401 3.126 0 40 DGAB Cc1nc(CN2CCC[C@@H](c3ccnn3C)C2)nc2ccccc12 72270575 QVWCEOFFNHWEDM-OAHLLOKOSA-N 321.428 3.051 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H]2CCc3c(F)cccc32)cs1 72274790 UPYAKJVRNBFRFV-HNNXBMFYSA-N 319.405 3.420 0 40 DGAB CCCN1CCCN(C(=O)Nc2c(C)nn(C(C)C)c2C)CC1 72278499 MCMDJDNLCLALHW-UHFFFAOYSA-N 321.469 3.030 0 40 DGAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3ccncc3)C2)n1 72369936 FMXKRAWFBGNUCN-INIZCTEOSA-N 320.396 3.430 0 40 DGAB CCO[C@H](C)c1nc(CN(C)C(=O)c2ccccc2O)cs1 75178069 QOQWLCUVIHFYHY-LLVKDONJSA-N 320.414 3.218 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)no1 76043588 SMMVVFJPDXPZJG-CVEARBPZSA-N 311.385 3.162 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccc(C)c(C)c2)CC1 78701520 BXOAVMJBOUUDND-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB C[C@@H](CCNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 78966926 RIYGUDWSHHKEEU-WCQYABFASA-N 315.335 3.352 0 40 DGAB COc1cccc(CS(=O)(=O)Cc2ccc(F)cc2F)c1 84727714 XKGMZAKDNLHPTD-UHFFFAOYSA-N 312.337 3.088 0 40 DGAB COC(=O)N1CCC(N[C@H](C)Cc2ccc(Cl)cc2)CC1 91057500 ZQWGZJUVHSOMAT-GFCCVEGCSA-N 310.825 3.091 0 40 DGAB c1cncc([C@@H]2C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 95394475 ROXLDVGNSVUNAQ-QWHCGFSZSA-N 307.309 3.131 0 40 DGAB O=C(Cc1cccnc1)Nc1cc(-c2cc3ccccc3o2)n[nH]1 95395238 QWJUTYIXQKRDJI-UHFFFAOYSA-N 318.336 3.399 0 40 DGAB COc1ccc(-c2ccnc3nc(CC(C)C)nn23)cc1OC 95478719 DZANGOFIURZBJM-UHFFFAOYSA-N 312.373 3.007 0 40 DGAB CCOC(=O)c1sc(Nc2ccc(OC)c(OC)c2)nc1C 95929473 JFUJMFQMHCCXBE-UHFFFAOYSA-N 322.386 3.389 0 40 DGAB CCNC(=O)N[C@@H](c1ccccc1OC(F)F)C(F)(F)F 95994627 VHANLQKMVVEUHX-VIFPVBQESA-N 312.238 3.211 0 40 DGAB CCCN1CCC(c2nc3ccc(-c4ccncc4)cn3n2)CC1 96155785 DRYKQGKCIMRUAU-UHFFFAOYSA-N 321.428 3.381 0 40 DGAB Cc1ccc(NC(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)nc1 96192505 YRKVPXQMZNIMSF-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB C/C(=C\C(=O)N[C@H](C)c1nnc2ccccn12)c1ccc(F)cc1 96256209 STUWVICOIZBNQB-XZHRJIJLSA-N 324.359 3.149 0 40 DGAB O=[S@](CCc1ccccc1)Cc1ccc(-n2cccn2)cc1 96404398 ZFKLQZUZGIXKEC-QFIPXVFZSA-N 310.422 3.364 0 40 DGAB Cc1ncc(CNC(=O)NC[C@H](C)Sc2ccccc2)s1 96439573 TWGZVEBCOLZSES-NSHDSACASA-N 321.471 3.432 0 40 DGAB Cc1nc(CNC[C@H](O)c2ccc(Cl)c(F)c2)cs1 97022670 DBHGLGFKUIOMMV-ZDUSSCGKSA-N 300.786 3.067 0 40 DGAB CCCC(=O)Nc1ccc(Cl)c(NC(=O)C2CCOCC2)c1 97031973 YYOMIJXTRKQSGY-UHFFFAOYSA-N 324.808 3.444 0 40 DGAB CCOc1cccc(C[S@](=O)Cc2c(F)cccc2F)n1 97085309 KPXBCPZCSAVBOF-OAQYLSRUSA-N 311.353 3.207 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)Nc2ccncc2C)o1 97100033 HRSZYTHEDIRBKC-HNNXBMFYSA-N 315.373 3.151 0 40 DGAB CN(C(=O)c1cc(C(=O)O)co1)[C@@H](c1ccc(F)cc1)C1CC1 97115277 RFRFHMFPHWMJCE-OAHLLOKOSA-N 317.316 3.340 0 40 DGAB C[C@H](OC[C@H]1CCCO1)C(=O)O[C@@H]1CCSc2ccccc21 110577257 VZAHCDAQVZLKRO-GZBFAFLISA-N 322.426 3.351 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@]45O[C@@H]4C(=O)CC[C@]35C)[C@@H]1CCC2=O 118920071 LIMBPOMDHZQBJH-CKPYONHISA-N 302.414 3.299 0 40 DGAB Cc1n[nH]c(C(C)C)c1C(=O)Nc1nc2cc(F)ccc2n1C 123408021 WNPHXPSHBXXYSQ-UHFFFAOYSA-N 315.352 3.120 0 40 DGAB CCc1nnc(CN2CCN(C(C)(C)C)c3ccccc32)o1 190116483 CJNXKNZKPBUFBJ-UHFFFAOYSA-N 300.406 3.257 0 40 DGAB Cc1cc(NC(=O)Cc2ccn[nH]2)ccc1Oc1ccncc1 192593308 LSRPRZAXGLNXRH-UHFFFAOYSA-N 308.341 3.087 0 40 DGAB CSc1ccccc1C(=O)Nc1c[nH]nc1-c1ccccn1 194368305 LZHRGFMWUPUHDF-UHFFFAOYSA-N 310.382 3.446 0 40 DGAB COC(=O)c1cc(-c2c(C)noc2C)cc2[nH]c(C3CC3)nc12 219256485 JUAQQVMXHKMMNL-UHFFFAOYSA-N 311.341 3.499 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)(C)C 222861836 RMJKIZHQVAHOGX-LBPRGKRZSA-N 324.852 3.382 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@H]1CCc1ccncc1 257232741 GMEGSDOVNQTHRO-SFHVURJKSA-N 324.424 3.474 0 40 DGAB O=C(O)[C@@H]1C[C@H]1C(=O)N(Cc1ccsc1)c1ccccc1 262089612 HTWJRDLBWLEFAU-ZIAGYGMSSA-N 301.367 3.002 0 40 DGAB Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cc(C2CC2)no1 263550477 WDLMDLMCIXAWSP-UHFFFAOYSA-N 300.314 3.119 0 40 DGAB C[C@@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2ccccc2F)o1 332223372 ZAFLASWCWZQRCU-APPDUMDISA-N 303.333 3.383 0 40 DGAB C[C@H](C(=O)N1CCCCC1)N1C(=O)c2cccc3cccc1c23 408545236 JNPKBSGWBQXRMZ-CYBMUJFWSA-N 308.381 3.201 0 40 DGAB COCCn1c(Sc2ccccn2)nnc1-c1ccccc1 409097719 JDHFIZJIJLIXMR-UHFFFAOYSA-N 312.398 3.138 0 40 DGAB COc1ncccc1NC(=O)[C@H](Cc1ccccc1)n1cccc1 575444012 ONPCSPDFUXDWNT-KRWDZBQOSA-N 321.380 3.314 0 40 DGAB CC(C)c1ccc(C(=O)NCc2nc(C(F)(F)F)no2)cc1 585126001 KSJXIGZYHSZZDU-UHFFFAOYSA-N 313.279 3.142 0 40 DGAB CNC(=O)[C@@]1(Cc2ccc(-c3ccc(C)cc3)cc2)CCCCN1 953030384 KVCXDXZRQKCULY-NRFANRHFSA-N 322.452 3.463 0 40 DGAB Nc1cnc2cc(Br)ccc2c1Br 1776011368 RJKGXHOYITZBNQ-UHFFFAOYSA-N 301.969 3.342 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc(Cl)cc3C)ccc2n1 1888906847 RDNNOPXRLQTQRB-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB CCOc1ccc2nc(NC(=O)c3cncc(C)n3)sc2c1 1888913988 RMSFFMPTNSHGEA-UHFFFAOYSA-N 314.370 3.046 0 40 DGAB Cc1nc(CN2CCC(COc3ccncc3C)CC2)cs1 1889098394 BVNMAEHXOLIYIE-UHFFFAOYSA-N 317.458 3.446 0 40 DGAB COc1ccc(C)cc1NC(=O)C(=S)NCc1ccccc1 31488 PCBFLQMUZMTCHL-UHFFFAOYSA-N 314.410 3.059 0 40 DGAB c1ccc(Cc2nnc3sc(COc4ccccc4)nn23)cc1 385272 ZUYXYNSABAOWFW-UHFFFAOYSA-N 322.393 3.356 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1ccccc1C(F)(F)F 411646 URVFGBQJJFBUSB-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB CC(=O)N1N=C(c2ccc(C)cc2)C[C@H]1c1ccc2c(c1)OCO2 521214 RLKFXTJUMKATTG-KRWDZBQOSA-N 322.364 3.421 0 40 DGAB O=S(=O)(Oc1ccccc1Br)c1ccccc1 1621376 OAILHIDJWLPOJQ-UHFFFAOYSA-N 313.172 3.217 0 40 DGAB O=C1O[C@@H]([C@H]2Cc3ccc4c(c3C2=O)CCC4)c2ccccc21 1646122 AMJPNPLLTGFUIC-QFBILLFUSA-N 304.345 3.442 0 40 DGAB CC(C)(C)NC(=S)NC(=O)C12CC3C[C@@H](CC[C@H](C3)C1)C2 2297940 RZAGPTGGVIINCF-SDQNGVQFSA-N 308.491 3.382 0 40 DGAB CCOC(=O)CCC(=O)c1ccc(CN2CCCCC2)cc1 2514541 WHRNLDCWDWJFGX-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 3318478 BTRMJEJGOSBDST-HNNXBMFYSA-N 323.392 3.438 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc3C2)c(C)c1 3424871 ZVEUZWUIJUWJLA-UHFFFAOYSA-N 323.392 3.045 0 40 DGAB COC[C@@H](C)NC(=O)COc1cc(C)c(Cl)cc1C(C)C 3452954 XXRFITBKMQSNSD-GFCCVEGCSA-N 313.825 3.302 0 40 DGAB Cc1cc(C)cc(CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 3458097 GYKCONQUCDWIRP-UHFFFAOYSA-N 300.402 3.304 0 40 DGAB O=C(Nc1cccc(O)c1)c1cccc(NC(=O)c2ccco2)c1 4454406 YTFIUDAWFROTEE-UHFFFAOYSA-N 322.320 3.490 0 40 DGAB CCc1nc(N2CCN(CC)CC2)c2oc3ccccc3c2n1 5164665 UOMSRGLUUKWGDF-UHFFFAOYSA-N 310.401 3.080 0 40 DGAB Oc1ccccc1Nc1ncnc2c1cnn2-c1ccccc1 5346545 FNPTUFFATKKGSH-UHFFFAOYSA-N 303.325 3.265 0 40 DGAB COc1cc(OC)cc(O[C@@H](C)C(=O)Nc2ccc(F)cc2)c1 5497573 NLQSFTOSGVERKG-NSHDSACASA-N 319.332 3.249 0 40 DGAB COc1ccc(C(=O)OCc2cn3cc(Cl)ccc3n2)cc1 5666780 LYJFYZYHTYBKCO-UHFFFAOYSA-N 316.744 3.353 0 40 DGAB CNc1c(NC(=O)Cc2ccccc2)c(=O)oc2ccccc12 6823230 WMBNZLZPRLGQHM-UHFFFAOYSA-N 308.337 3.016 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)c1c(F)cccc1Cl 6847490 FXIPPTXIMGGHBT-JTQLQIEISA-N 321.735 3.049 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H](C)c2cccs2)cc1 8232723 LSRSNAYXFFQAFG-NSHDSACASA-N 302.399 3.126 0 40 DGAB CC[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccc(F)c(Cl)c1 8300451 LLUULVIJLDYRIL-SGMGOOAPSA-N 324.827 3.329 0 40 DGAB biogenic,in-vitro Cc1cccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)c1 8882457 FFAJJEBTOYMYDX-HNNXBMFYSA-N 306.369 3.015 0 40 DGAB CCC(=O)NC(=S)Nc1ccc(N2CCCC[C@@H]2C)cc1 9064324 UQEUPKKNYODDLS-LBPRGKRZSA-N 305.447 3.288 0 40 DGAB O=S(=O)(N[C@H](c1ccccc1)C1CC1)c1ccc(F)c(F)c1 10677233 TWYHMRSIFGZLTB-MRXNPFEDSA-N 323.364 3.394 0 40 DGAB CC1(C)CC(NC(=O)c2cc(Cl)ccc2O)CC(C)(C)N1 10815319 BNNLICOKOQCURI-UHFFFAOYSA-N 310.825 3.085 0 40 DGAB Cc1ccccc1OCC(=O)Nc1cnc2c(cnn2C(C)C)c1 12783387 MUVHCFLQHLJGBW-UHFFFAOYSA-N 324.384 3.338 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccccc2Cl)c1 12849057 UYXLKTUEDKXMPA-UHFFFAOYSA-N 320.776 3.022 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 12924479 YOMHHLRKIVSOOT-WFASDCNBSA-N 324.833 3.041 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2ccc(C)cn2)c1 13720015 QVJIRVPJNGKJTI-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CCc2nc3ccccc3o2)c1 13986415 GGUVKIURUOGZSG-UHFFFAOYSA-N 323.352 3.358 0 40 DGAB Cc1cc(C)c(NC(=O)CNC(=O)[C@H]2CC=CCC2)c(C)c1 14169986 NDVCUMRNTBSZJB-HNNXBMFYSA-N 300.402 3.023 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)Nc1ccccc1O 14183726 SZHLRPQMSQRTFF-UHFFFAOYSA-N 311.259 3.429 0 40 DGAB Cn1ccnc1-c1nc(N2CCCC2)ncc1-c1ccccc1F 19291588 SWDADKDKHJCSTO-UHFFFAOYSA-N 323.375 3.283 0 40 DGAB COc1ccc(CN2CCN([C@@H]3C[C@H]4CC[C@@H]3C4)CC2)cc1 19359419 VACDMCFOADTCIC-YQVWRLOYSA-N 300.446 3.001 0 40 DGAB O=C(N[C@H]1CCC[C@@H](c2c[nH]c3ccccc23)C1)c1cc[nH]n1 19376041 WEWRNJLJPWXJOF-OLZOCXBDSA-N 308.385 3.347 0 40 DGAB COc1ccc2[nH]cc([C@H](C(=O)O)N3CCC(C)CC3)c2c1 20730688 DWTCITKNRBBQNN-MRXNPFEDSA-N 302.374 3.034 0 40 DGAB Cc1ccc(SCCNS(=O)(=O)c2ccccc2)cc1C 23864407 BGDLRRDTCKQGMU-UHFFFAOYSA-N 321.467 3.374 0 40 DGAB O=C(NCc1ccc(Cn2ccnc2)cc1)Nc1ccccc1 25521643 KBVYJZNWHIKZIO-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB c1ccc([C@@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)cc1 25948598 RTZDSWSQTCRQOF-FQEVSTJZSA-N 319.408 3.446 0 40 DGAB NC(=O)[C@H](Sc1nc(-c2ccccc2)c[nH]1)c1ccccc1 27660709 UKHYFCQHCPJXEW-OAHLLOKOSA-N 309.394 3.395 0 40 DGAB CCOc1ccc(-c2nonc2NC(=O)c2ccco2)cc1C 27746601 IVDLUSKFBUIXMZ-UHFFFAOYSA-N 313.313 3.289 0 40 DGAB CC(=O)c1c(C)cc(C)c(COc2ccc(C(N)=O)cc2)c1C 28187294 CFMHKSRAVBCIOC-UHFFFAOYSA-N 311.381 3.492 0 40 DGAB c1ccc([C@@H](CNc2nc3ccccc3o2)N2CCOCC2)cc1 29526031 RVMHXOAVHDDJEN-QGZVFWFLSA-N 323.396 3.313 0 40 DGAB CN(C)c1ccc(CCCNC(=O)CCc2ccco2)cc1 29978255 ASPTWPJOYUIAQK-UHFFFAOYSA-N 300.402 3.027 0 40 DGAB NC(=O)[C@@H](Nc1ccc(N2CCCCC2)cc1)c1ccccc1 30007387 VRXRGJCKQRJFAB-SFHVURJKSA-N 309.413 3.315 0 40 DGAB O=C(Nc1cccs1)N1CCC(c2nnc(C3CC3)o2)CC1 35597719 MECPYUMPTJHOIR-UHFFFAOYSA-N 318.402 3.420 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)c1 36635357 YBMRQOGIZYOKOY-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB Cc1ccc2cc(CNC(=O)Cc3ccccc3)c(=O)[nH]c2c1C 41159444 DDAANQIYHVEZRU-UHFFFAOYSA-N 320.392 3.004 0 40 DGAB CCc1nccn1-c1ncnc2ccc(Br)cc12 41495681 BQFASVYPUCNULL-UHFFFAOYSA-N 303.163 3.140 0 40 DGAB CC(C)(C)c1ccc(C2(C(=O)NC[C@H]3CCOC3)CC2)cc1 41940092 XLKAYIUJWNPQIQ-CQSZACIVSA-N 301.430 3.168 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c(C)c1 42646591 VDZIVKKTSWIPST-INIZCTEOSA-N 324.424 3.470 0 40 DGAB O=C(NCCc1ccc(C(F)(F)F)cc1)NCc1ccncc1 44892480 UFMZXVQHZDYDML-UHFFFAOYSA-N 323.318 3.142 0 40 DGAB CC(C)c1ccc(CS(=O)(=O)Cc2nc(C(C)C)no2)cc1 46106133 RHAYCUCKKHNWEC-UHFFFAOYSA-N 322.430 3.431 0 40 DGAB O=C(CCc1ccsc1)Nc1cc(C(F)(F)F)c[nH]c1=O 47502112 XPNQWYKSPFLOTN-UHFFFAOYSA-N 316.304 3.027 0 40 DGAB COC(=O)c1ccc(CN(C)C(=O)c2cc(F)ccc2F)cc1 48149674 MQRATLSNPUPNER-UHFFFAOYSA-N 319.307 3.024 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1Cl 48689065 FRKQYGFRJJPIOK-RISCZKNCSA-N 308.809 3.282 0 40 DGAB COc1cc(Cl)ccc1C(=O)NCCc1csc(C)n1 49398760 VJCZLCXVGFZCBO-UHFFFAOYSA-N 310.806 3.086 0 40 DGAB COc1ccc(Br)cc1NC(=O)c1ccc(N)cc1 49562769 LNBXPVGSZIGJQD-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COC1CCN(C(=O)c2sc(-c3ccccc3)nc2C)CC1 53885945 ZHSCDGINESFNGT-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@@H]1CCC[C@H](C)C1 58087253 IEYICNHPSOPDAL-SWLSCSKDSA-N 317.433 3.397 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)C[C@@H](C)c1ccc(F)cc1 58296934 HCSIIUGLBGZNIA-CQSZACIVSA-N 317.408 3.490 0 40 DGAB CCOC(=O)c1ccc(OCc2nc(CC(C)C)no2)cc1 58304952 QLKNVMJMYLPPSH-UHFFFAOYSA-N 304.346 3.024 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1nccn1CC(C)C 58423459 MBQBSOISYFWVLT-UHFFFAOYSA-N 324.384 3.150 0 40 DGAB COc1ccc(C2(C(=O)NCCc3ccccn3)CCCC2)cc1 58781218 BIFFAKPKDSSZSK-UHFFFAOYSA-N 324.424 3.261 0 40 DGAB CNC(=O)c1cccc(NC(=O)N[C@@H](C)c2cc(C)oc2C)c1 65359123 BDKVXDJRVGPVJT-NSHDSACASA-N 315.373 3.139 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 69350075 ARMCDSRIGBJOSY-QWHCGFSZSA-N 303.793 3.100 0 40 DGAB CCN(C(=O)COC)[C@@H](c1cccnc1)c1cc(C)cc(C)c1 69811471 KOAPZOQYMKQZAR-IBGZPJMESA-N 312.413 3.283 0 40 DGAB C[C@H](Sc1nncn1C1CC1)C(=O)c1cc(F)ccc1F 70039808 SSPAPWAYIXKWCF-QMMMGPOBSA-N 309.341 3.255 0 40 DGAB Clc1cccc(CN[C@H](Cn2cncn2)c2ccccc2)c1 72242437 MBKIXAQVOJOZOP-QGZVFWFLSA-N 312.804 3.463 0 40 DGAB CCOCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 72284332 RGIPLIBOHBPSTP-JTQLQIEISA-N 322.405 3.471 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccccc2)c2cccs2)c(=O)[nH]1 75118264 WNPCRCWNNIOWPV-INIZCTEOSA-N 324.405 3.264 0 40 DGAB Cn1cnc2cc(NC(=O)c3cn(C)c4ccccc34)ccc21 75327257 HXTJGPZDWVARBC-UHFFFAOYSA-N 304.353 3.317 0 40 DGAB Cc1ccc(C2(CN[C@H](C)c3nnc(C)o3)CCOCC2)cc1 79030924 DJZVATKXMCTQTE-CQSZACIVSA-N 315.417 3.085 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)[C@@H](C)c3cccnc3)c2)o1 81021894 SUUCLMQCSOXLBA-LBPRGKRZSA-N 322.368 3.273 0 40 DGAB CCOC(COc1ccc(F)cc1Br)OCC 81199131 ZWTAFEXEXCJVSD-UHFFFAOYSA-N 307.159 3.366 0 40 DGAB CC(=O)c1c(C)cc(C)c(CN2CC[C@@H](N3CCCC3)C2)c1C 84075113 XMAHHDCHNXGYMJ-GOSISDBHSA-N 314.473 3.485 0 40 DGAB CN(C)C(=O)Cc1ccc(Nc2ncnc3ccc(F)cc23)cc1 92611293 GRHLRGLXJGJABL-UHFFFAOYSA-N 324.359 3.143 0 40 DGAB O=C(O)C1CCN(C(=O)c2cc(C3CC3)nc3ccccc23)CC1 95389813 XUEUCWRFDFMWPW-UHFFFAOYSA-N 324.380 3.049 0 40 DGAB CC(C)(C(=O)N1CCC[C@H](CCC(=O)O)C1)c1cccc(F)c1 95992029 TVYIQOCDISOYMA-CYBMUJFWSA-N 321.392 3.207 0 40 DGAB CC(C)NC(=O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154714 KMTHHSKXILAFGA-UHFFFAOYSA-N 322.412 3.351 0 40 DGAB O=C(c1ccccc1)N1CCC2(CC1)CNc1c(F)cccc12 96261781 AXFRZYNBVUAYCQ-UHFFFAOYSA-N 310.372 3.425 0 40 DGAB c1ccc(SCCN2CCC(OC3CCOCC3)CC2)cc1 96417434 SLIOCMWIKUJAIC-UHFFFAOYSA-N 321.486 3.439 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@@H](C(=O)NCc2ccsc2)C1 96436127 RSNLDOOBKSYARU-OLZOCXBDSA-N 324.446 3.058 0 40 DGAB Cn1cccc1[C@@H]1CCCCN1C(=O)[C@H]1COc2ccccc21 96445069 LUBUQENPGSGFQS-RDJZCZTQSA-N 310.397 3.255 0 40 DGAB O=C1CCCN1c1ccc(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 96494533 BDNSJXYYRJQAQG-JQHSSLGASA-N 312.413 3.183 0 40 DGAB CC(C)c1nnc2n1C[C@@H](NCc1c(F)cccc1Cl)CC2 97199359 MKTFYOKLZLXRTK-NSHDSACASA-N 322.815 3.299 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@@H](Nc2ccccc2F)C1=O 101275534 BTPSXGIDCYZGAY-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 101501270 ZZLSUZIQBVOKLN-HNNXBMFYSA-N 307.332 3.055 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)[C@@H]1C[C@H]2C=C[C@H]1C2 102587804 RZIFPWPGTMINNX-GMXVVIOVSA-N 300.383 3.232 0 40 DGAB C[C@@H](N[C@H](C)c1cccc(O)c1)c1ccc(-n2ccnn2)cc1 194938310 UQQAUDWSBUVHQU-ZIAGYGMSSA-N 308.385 3.385 0 40 DGAB CCOC(=O)CCC(=O)N1CCS[C@H](c2ccccc2)CC1 208039905 SDMZBQBMQLIXQX-HNNXBMFYSA-N 321.442 3.037 0 40 DGAB Cc1nnsc1C(=O)N1CCCC[C@H](c2ccc(F)cc2)C1 211080060 RMWAEBUGZDDFST-ZDUSSCGKSA-N 319.405 3.396 0 40 DGAB COc1ccc(C(=O)NCCOc2ccccc2)cc1Cl 225103576 QCQYAUWUKPOUPX-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB CCOC(=O)c1ccc(NC(=S)NCC(C)C)cc1Cl 225276205 NJJFUHDNDLJNQO-UHFFFAOYSA-N 314.838 3.459 0 40 DGAB CSc1nnc(NC(=S)Nc2ccc(F)cc2)s1 225461456 KYNNAMOQCKQSIR-UHFFFAOYSA-N 300.409 3.208 0 40 DGAB O=C(c1ccco1)N1CC[C@@H](c2noc(-c3cccs3)n2)C1 244983735 IPAVUJHSXQAYPL-SNVBAGLBSA-N 315.354 3.021 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257254567 KDROXAXUSZRPIC-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Cc1ccnc([C@@H]2CCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257260148 LBMDWNUEHGAMHY-OAHLLOKOSA-N 321.380 3.469 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@@H](Cc2cccnc2)C1 257317224 VIWRNFKBJUTSLO-SFHVURJKSA-N 324.424 3.332 0 40 DGAB COC(=O)c1ccc(CSc2ccccc2NC(C)=O)o1 408557859 QGLYHBSIJAJBLV-UHFFFAOYSA-N 305.355 3.317 0 40 DGAB COc1ccccc1CNCc1ncc(Br)s1 584908498 QZGYKSLNKYSWBE-UHFFFAOYSA-N 313.220 3.204 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ccc(C(F)(F)F)cn2)C1 1889098166 LYDDHXPMKYIWAW-CYBMUJFWSA-N 323.318 3.462 0 40 DGAB O=S(=O)(c1ccc(O)c(Cl)c1)c1ccc(O)c(Cl)c1 1603592 PWDGALQKQJSBKU-UHFFFAOYSA-N 319.165 3.237 0 40 DGAB in-vitro Cc1nc(S[C@@H]2CCOC2=O)c2c3c(sc2n1)CCCC3 3495450 LDPAGRGINCXFOL-LLVKDONJSA-N 320.439 3.286 0 40 DGAB C/C=C/C=C/C(=O)OCC(=O)Nc1ccc(Br)cc1 3501111 GWNHRHCVDDHKOO-MQQKCMAXSA-N 324.174 3.063 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(Cl)cc2)cc1 3611727 DZGHIDLNAONEBF-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 4264755 XEYANIGWTWXVBC-HAYURNKSSA-N 302.414 3.202 0 40 DGAB biogenic Cc1cccc([C@@H]2CC(c3cccs3)=NN2S(C)(=O)=O)c1 4317897 NJUZDPBBADQQCB-AWEZNQCLSA-N 320.439 3.167 0 40 DGAB Cc1c(F)cccc1NC(=O)CCCCC[C@H]1NC(=O)N[C@@H]1C 4520558 MGQBHVRGZCUQID-IUODEOHRSA-N 321.396 3.093 0 40 DGAB CC(C)NCCO[S@](=O)C(c1ccccc1)c1ccccc1 4769418 LATRADDNRKNQQJ-JOCHJYFZSA-N 317.454 3.454 0 40 DGAB COc1ccc2oc(=O)cc(CN3CCc4ccccc43)c2c1 4943062 BNTPVWAGBRWXIX-UHFFFAOYSA-N 307.349 3.364 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cncc(Br)c2)o1 5173037 KISUIVWIBWTGQE-UHFFFAOYSA-N 309.163 3.018 0 40 DGAB O=C(Cn1nnc(-c2ccccc2)n1)C12CC3CC(CC(C3)C1)C2 5325759 AKXAHHPDQJZZNR-UHFFFAOYSA-N 322.412 3.126 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC=CC[C@@H]1NC(=O)OC(C)(C)C 5714467 IBBVWOZAKKWMOG-RYUDHWBXSA-N 312.410 3.123 0 40 DGAB COc1ccc(N[C@H](C)C(=O)NCc2ccccc2)cc1Cl 7389718 JCZDCJKSOWUMQD-GFCCVEGCSA-N 318.804 3.465 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1ccccc1Cl 7405115 LBKMPONMZAMYHP-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1ccc(C)c(OCCC(=O)Nc2nnc(C3CC3)s2)c1 7698985 DLPWHUXGQPTCFH-UHFFFAOYSA-N 317.414 3.440 0 40 DGAB Cc1ccc(SCCC(=O)Nc2ccc(C(N)=O)cc2)cc1 8316448 KCFSSWMXETVPOW-UHFFFAOYSA-N 314.410 3.215 0 40 DGAB COc1ccccc1-c1n[nH]c(=S)n1NCc1cccs1 8496669 WSQMJAYFYFQFIM-UHFFFAOYSA-N 318.427 3.421 0 40 DGAB NC(=O)c1ccc(NC(=O)c2cc3ccc(F)cc3s2)cc1 8752266 NKEUPGULVIAZAY-UHFFFAOYSA-N 314.341 3.392 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccccc1Cl 9183978 XLEVFJNODJWCDX-HNNXBMFYSA-N 318.804 3.500 0 40 DGAB CCNC(=O)[C@@H](C)Nc1nc(-c2ccccc2)nc2ccccc12 9313624 KVHICSVVQHTUEK-CYBMUJFWSA-N 320.396 3.233 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@H]2C)c1 10277491 MOIBBDCIANKLQA-IGCXYCKISA-N 302.418 3.385 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(C)c(NC(C)=O)c2)cc1 10776897 SNIGCIVMADKWKC-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB CCOc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)C 12291745 UBKOLTHSCZCOKC-UHFFFAOYSA-N 323.414 3.280 0 40 DGAB c1ccc(-c2cn3nc(NC[C@H]4CCCO4)sc3n2)cc1 12525326 PUFPMJSPLMYWRU-GFCCVEGCSA-N 300.387 3.049 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1c[nH]nc1-c1ccc(F)cc1 12532121 NATFUWRFXYXTFK-UHFFFAOYSA-N 321.315 3.344 0 40 DGAB in-vitro O=S(=O)(Cc1ccccc1)Nc1c(F)c(F)cc(F)c1F 14256535 YYYIPAQKDPCDLL-UHFFFAOYSA-N 319.279 3.185 0 40 DGAB Cc1cc(C)cc(OC[C@H](O)Cn2c(C)nc3ccccc32)c1 15860723 XYPLAYBOVGLMRV-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB Cc1ccc2[nH]c(=O)c(/C=C3/SC(=S)N=C3O)cc2c1 16698648 VFBQNKPGOJDAAL-IZZDOVSWSA-N 302.380 3.166 0 40 DGAB Cc1ccc(C2(CN3CCN(Cc4ccccn4)CC3)CC2)cc1 19208419 ARQZIVFSASKSQB-UHFFFAOYSA-N 321.468 3.239 0 40 DGAB CC[C@@H](NC(=O)[C@@H](C)n1cc(Cl)cn1)c1ccc(OC)cc1 19500455 IMQGXVFOGKUMAE-IAQYHMDHSA-N 321.808 3.374 0 40 DGAB COc1ccc(NC(=O)C(C)(C)C)cc1-c1ccc(CO)o1 20136899 GCBBMAUJJYBZKY-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB COc1ccc(C(C)(C)C)cc1Nc1ncnc2c1cnn2C 21966045 UXVORQCSCTVNGK-UHFFFAOYSA-N 311.389 3.413 0 40 DGAB Clc1cc2c(c(CSc3nncn3C3CC3)c1)OCOC2 22542100 WRYZGTZTCVEWRR-UHFFFAOYSA-N 323.805 3.425 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)n2cccn2)ccc1Br 24746645 KGBAHKLBENMFQD-SNVBAGLBSA-N 308.179 3.154 0 40 DGAB COc1cccc(CC(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)c1 24864692 KKJBNIQWNRJJGW-STQMWFEESA-N 315.335 3.475 0 40 DGAB CN(C)C[C@H](NCc1ccc(-n2ccnc2)cc1)c1ccccc1 28317074 METLGLASTQLSIU-FQEVSTJZSA-N 320.440 3.265 0 40 DGAB Cc1cc(CN(C)Cc2nc(-c3ccccc3Cl)no2)no1 29727273 QDJUDRXQMXZIJB-UHFFFAOYSA-N 318.764 3.318 0 40 DGAB CN(C)c1ccc(C(=O)N[C@H]2CCSc3ccccc32)cn1 32339718 OFSLJTZIAUXOAD-AWEZNQCLSA-N 313.426 3.115 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)Cc1c(C)noc1C 32744667 XVCQJVGAAFJHEN-NSHDSACASA-N 302.374 3.028 0 40 DGAB O=C(CNc1ccc(-n2cccn2)cc1)Nc1cccc(F)c1 32932721 SKOGGUZTCZMIQB-UHFFFAOYSA-N 310.332 3.062 0 40 DGAB CC(C)c1ccc([C@H]2Nc3ccccc3S(=O)(=O)N2)cc1 32986890 AKKKGAWOXQZLMH-INIZCTEOSA-N 302.399 3.213 0 40 DGAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)s1 40074635 JBHNHRONKFIUDN-CABZTGNLSA-N 323.801 3.419 0 40 DGAB COc1ccc(CC(=O)NCCO[C@H]2CCCC[C@H]2C)cc1F 40108241 DBYZESNKUFUAQJ-CJNGLKHVSA-N 323.408 3.088 0 40 DGAB CC(C)CNC(=O)c1nn(-c2ccc(F)c(F)c2)c2c1CCC2 40140211 LDCYAEWVHWCCPR-UHFFFAOYSA-N 319.355 3.025 0 40 DGAB CN(c1c(F)cccc1F)S(=O)(=O)c1c(F)cccc1F 40556328 QEUUJBZTDQXULN-UHFFFAOYSA-N 319.279 3.068 0 40 DGAB Ic1ccc(OCc2ccccn2)cc1 42274327 WSNQNWKSJHMVHU-UHFFFAOYSA-N 311.122 3.265 0 40 DGAB in-vitro CC(C)CO[C@@H](C)C(=O)NCc1ccccc1OC(F)(F)F 42473681 WLTVTSBPPCTQMN-NSHDSACASA-N 319.323 3.263 0 40 DGAB CCOC(=O)c1cc(Br)c(Br)s1 44200442 NZQKKQQTXFNEMQ-UHFFFAOYSA-N 313.998 3.450 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@@H](C)c1ccccc1 47195191 FUUCTAUTCOZCOB-NSHDSACASA-N 324.409 3.400 0 40 DGAB O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)Nc1ccccc1 57178326 CLPXCVFZKRNPAX-AWEZNQCLSA-N 313.376 3.474 0 40 DGAB COc1cccc(Cc2nnc(SC[C@H]3CCCCO3)o2)c1 66257185 ZHMXOPSINNNEKD-CQSZACIVSA-N 320.414 3.330 0 40 DGAB CC(=O)Nc1cc(F)c(F)cc1NC(=O)Cc1ccc(C)s1 69558803 VXXCQMLLUYAKJV-UHFFFAOYSA-N 324.352 3.474 0 40 DGAB O=C(N[C@@H]1CCCc2cc(OC(F)F)ccc21)N1CCCC1 69678484 UCYHYWPHWAPPCO-CQSZACIVSA-N 310.344 3.471 0 40 DGAB O=c1[nH]n(C2CCCCC2)c2c1[C@@H](c1ccncc1)CC(O)=N2 71279128 GTLHOEUQABPMAY-CYBMUJFWSA-N 312.373 3.200 0 40 DGAB Cc1cccc(-c2nc(CN3CCC[C@H]3c3cnn(C)c3)no2)c1 71799298 ZMGUKCUZTZVLIW-INIZCTEOSA-N 323.400 3.116 0 40 DGAB Cc1cccc(-c2cccc(CNC(=O)c3cc[n+]([O-])cc3)c2)c1 72085032 KSCMGADPLFOHGV-UHFFFAOYSA-N 318.376 3.225 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2cnn(C(C)C)c2)c(C)c1 72239151 DPYXZFCCWADESL-CQSZACIVSA-N 321.446 3.120 0 40 DGAB COc1cccc(C(=O)NCCCn2ncc3c(C)cccc32)c1 72239540 RYOIEQFXILRSQI-UHFFFAOYSA-N 323.396 3.173 0 40 DGAB O=C(NCc1csc(C2CC2)n1)c1ccn(C2CCCC2)n1 72252214 CBQKCXKDMYQHQI-UHFFFAOYSA-N 316.430 3.262 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@H](CO)C1)c1csc2ccccc12 72268291 BSIYONKBSOOKPE-OLZOCXBDSA-N 318.442 3.376 0 40 DGAB CC[C@@H](NC(=O)c1cc(C)n[nH]1)c1nc(C(F)(F)F)cs1 73279678 NUUXDAXDBJPRPB-SSDOTTSWSA-N 318.324 3.075 0 40 DGAB Cc1ccc(CC(=O)N2C[C@@H](C(C)C)Nc3ccccc32)cn1 75092908 HNLVOKUYGMAMAY-KRWDZBQOSA-N 309.413 3.416 0 40 DGAB Cc1ncc(C(=O)N2CC[C@@H](Cc3ccc(F)cc3)C2)s1 76512465 ZWBDCRDELGELKY-ZDUSSCGKSA-N 304.390 3.295 0 40 DGAB Cc1nn(C)c2sc(C(=O)N3CCc4ccc(F)cc43)cc12 84067972 GCZKNIKQWAQYIF-UHFFFAOYSA-N 315.373 3.285 0 40 DGAB Fc1ccc(Br)c(OCCC2OCCCO2)c1 89064042 REXRAZYADNHYGT-UHFFFAOYSA-N 305.143 3.120 0 40 DGAB c1ccc(-c2n[nH]cc2CNc2cnn(-c3nccs3)c2)cc1 89847959 MVJFRJJNGOCMPE-UHFFFAOYSA-N 322.397 3.331 0 40 DGAB CCC(CC)n1ccc(C(=O)Nc2ccccc2-n2cncn2)n1 95428527 AKNPUBQMTKBKLJ-UHFFFAOYSA-N 324.388 3.077 0 40 DGAB COC1(C)CN(C(=O)Nc2ccc(C)c(-c3nc(C)co3)c2)C1 95460988 DPHMAVROCBOAEN-UHFFFAOYSA-N 315.373 3.211 0 40 DGAB CC(C)[C@@H](Cc1ccc(F)cc1)NCC(=O)Nc1cccnc1 95466671 LCBNBESFVWZGBI-QGZVFWFLSA-N 315.392 3.016 0 40 DGAB Cc1nc(Cl)cc(N2CCC[C@@H]2CC(=O)c2ccco2)n1 95467666 ZIDQGQRNHXUOCQ-LLVKDONJSA-N 305.765 3.273 0 40 DGAB CC(C)(O)C(C)(C)NC(=O)Nc1ccc(Br)cc1 95468890 ZAZMJCUOCZTQPZ-UHFFFAOYSA-N 315.211 3.120 0 40 DGAB O=C(c1ccccc1)N1CC2(CCNCC2)c2cc(F)ccc21 96161052 AKXCYAYIXDYYLZ-UHFFFAOYSA-N 310.372 3.107 0 40 DGAB c1ccc(N2CCC[C@]3(CCN(Cc4nccs4)C3)C2)nc1 96216639 BJQNRZJQQPUICT-QGZVFWFLSA-N 314.458 3.031 0 40 DGAB CCO[C@H]1C[C@H](N(C)Cc2nc(C3CC3)no2)C12CCCC2 96419732 RDOCECRLELIADK-KBPBESRZSA-N 305.422 3.117 0 40 DGAB CCc1cnc(NC(=O)NC2CCN(C3CCCC3)CC2)s1 96452248 QVTDYXNHBPVGPA-UHFFFAOYSA-N 322.478 3.234 0 40 DGAB CCS[C@@H]1CC[C@H](NCc2cn(C)nc2-c2ccncc2)C1 96494380 IOQDONBRAXOLRI-JKSUJKDBSA-N 316.474 3.246 0 40 DGAB CC[C@@](Cl)([C@@H](O)c1ccc(Cl)cc1)S(=O)(=O)CC 96520702 GOYUFTAHCUDMCK-RYUDHWBXSA-N 311.230 3.153 0 40 DGAB CCc1oc2ccccc2c1CN[C@@H]1CCc2nnc(CC)n2C1 97199586 SVZJIOHNDDYWMP-CYBMUJFWSA-N 324.428 3.254 0 40 DGAB Cc1cc(CN(C)[C@H](C)c2cccnc2)ccc1-n1cncn1 97375310 GPANVKZZPUYAIU-OAHLLOKOSA-N 307.401 3.164 0 40 DGAB c1ccc(-c2nc[nH]n2)c(OCCc2ccc3c(c2)CCO3)c1 97377641 CIVGIFMVECAMKU-UHFFFAOYSA-N 307.353 3.028 0 40 DGAB CCOc1ccc(NC(=O)CCc2nc(C)no2)cc1Cl 97437474 DDOZEQRBGGGVTG-UHFFFAOYSA-N 309.753 3.001 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCCCCC1)C2 101214102 PIWZUYGSMGBKSL-FAJBIJEISA-N 309.494 3.455 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NC3=NCCS3)o2)cc1C 107673920 ZWCYPHDYMYPPOG-UHFFFAOYSA-N 300.383 3.396 0 40 DGAB O=C(CSCc1c(F)cccc1Cl)NCc1ccccn1 113932905 YAEBJGFCZVHCHT-UHFFFAOYSA-N 324.808 3.424 0 40 DGAB CC[C@H](N[C@@H](C)Cn1cc(Br)cn1)c1ccncc1 163711378 KNQAJUOKOIXNTA-FZMZJTMJSA-N 323.238 3.170 0 40 DGAB CCOc1ccc(C(=O)NCCSCc2ccco2)cc1 219952642 QDVIRMLHKARJQR-UHFFFAOYSA-N 305.399 3.342 0 40 DGAB CC(=O)c1cccc(Nc2ccc(C(=O)NC3CC3)cc2N)c1 225435829 RZQHKWUVZDAQAH-UHFFFAOYSA-N 309.369 3.107 0 40 DGAB COc1cccc(CCC(=O)N[C@H](C)c2ccncc2)c1F 225491573 UNBFFZJSXLHHCJ-GFCCVEGCSA-N 302.349 3.039 0 40 DGAB CCCO[C@](C)(CC)C(=O)Nc1ccc(OCCOCC)nc1 225903603 SFINAXBIZLKKED-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB Cc1cc(C)nc(NC(=S)NCc2ccccc2Cl)n1 225939000 ZYWYRYXMMRFTBW-UHFFFAOYSA-N 306.822 3.233 0 40 DGAB FC(F)(F)c1ccn([C@H]2CCCN(C[C@H]3CCC=CO3)C2)n1 249039865 UNBCKSOTSYHSSG-QWHCGFSZSA-N 315.339 3.232 0 40 DGAB O=C1CCC[C@@H]2[C@@H](N1)[C@H](c1ccccc1)CN2Cc1ccccc1 253616007 MHLMBYWVPBTMRI-ZVDOUQERSA-N 320.436 3.323 0 40 DGAB O=C(c1cccs1)N1Cc2nccn2C[C@H]1c1ccccc1 257250394 JMIQUBFHNFHDIL-AWEZNQCLSA-N 309.394 3.342 0 40 DGAB COc1cccc([C@H]2C[C@@H](NC(C)=O)[C@@H]3CCCC[C@H]3O2)c1F 257283775 OZUSCWDYCBEPPE-DPAVQSFQSA-N 321.392 3.359 0 40 DGAB Cc1occc1C(=O)N1CCn2c(-c3ccsc3)cnc2C1 306124438 BPRJVTLMJDCITA-UHFFFAOYSA-N 313.382 3.169 0 40 DGAB CC(C)Oc1ccccc1[C@@H](C)NCc1nc(C2CC2)nn1C 577726088 LZHCDOQWKUHXMP-CYBMUJFWSA-N 314.433 3.331 0 40 DGAB Cc1nc(C(=O)N2CCC3(CCC(N(C)C)CC3)CC2)c(C)o1 578434442 ZTDQOMUQILYLBR-UHFFFAOYSA-N 319.449 3.018 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)c2cnc(C3CC3)o2)cc1 585121700 WPBZFUUSVMTVRZ-UHFFFAOYSA-N 314.385 3.312 0 40 DGAB O[C@@H]1[C@@H](NCc2ccccc2F)CCC[C@H]1Oc1ccccc1 585288855 KFVZBXYNISTPPJ-IPMKNSEASA-N 315.388 3.276 0 40 DGAB Cc1ccc(C(=O)NCCn2nc(C3CC3)cc2C2CC2)cc1 585300207 ORBZOWKCOGPGHZ-UHFFFAOYSA-N 309.413 3.376 0 40 DGAB COc1cc(OCc2ccccc2)c(OC)c(OC)c1C(C)=O 1857794060 FSUYBSHDIYZVAM-UHFFFAOYSA-N 316.353 3.494 0 40 DGAB Cc1cc(Cl)ccc1N1C(=O)Nc2ccccc2S1(=O)=O 1888978758 VSIYRXPENRQZSM-UHFFFAOYSA-N 322.773 3.389 0 40 DGAB S=C(Nc1ccc2c(c1)CCC2)N[C@@H]1CCN2CCCC[C@H]12 53519606 ZFWGTHPTTWUWRH-IAGOWNOFSA-N 315.486 3.089 0 40 DGAB O=C(O)c1cc(-c2ccccc2)nc2cc(C(F)(F)F)nn12 12396946 BCNJFBQUQFDERF-UHFFFAOYSA-N 307.231 3.113 0 40 DGAB CSC[C@@H](C)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 72288001 HOGKTBOMIWSJJH-PELKAZGASA-N 322.257 3.142 0 40 DGAB Cc1nc(CN2CCC[C@H](c3noc(C(C)C)n3)C2)cs1 72290823 RYYWTFUQAFGOGK-LBPRGKRZSA-N 306.435 3.338 0 40 DGAB COc1ccccc1[C@@H](NCc1cccs1)c1nccn1C 42205073 GZKRDFTYUJOLHO-MRXNPFEDSA-N 313.426 3.369 0 40 DGAB CCc1c(C(=O)Nc2cc(C)cnc2OC)[nH]c(C)c1C(C)=O 78971419 YYOMPDKTXUYALA-UHFFFAOYSA-N 315.373 3.052 0 40 DGAB Cc1nc(-c2cccc(Cl)c2)sc1C(=O)Nc1ncn[nH]1 23142018 QRWTVEFDNBCWOV-UHFFFAOYSA-N 319.777 3.142 0 40 DGAB Cc1noc(CN[C@@H](c2ccc(F)cc2)c2cccs2)n1 42506771 MYCMCUSXCZETRP-HNNXBMFYSA-N 303.362 3.458 0 40 DGAB Cc1cccc(OCCNC(=O)CNc2ccc(C)cc2C)c1 24039938 ZYLUVXOFRVLGJC-UHFFFAOYSA-N 312.413 3.219 0 40 DGAB O=C(Cc1cccs1)Nc1ccc(N2CCCC2=O)cc1 7639760 JHTJEVFLKPVUDZ-UHFFFAOYSA-N 300.383 3.056 0 40 DGAB CSCc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)cc1 106661410 ZVWRWFCTRUBIDC-IAGOWNOFSA-N 318.486 3.248 0 40 DGAB Cc1cc2cc(NC(=O)CCNC(=O)C3CCCC3)ccc2[nH]1 25129234 VLGDZXPYPPXCHU-UHFFFAOYSA-N 313.401 3.111 0 40 DGAB COCc1ccccc1CNC(=O)c1ccc2ccccc2n1 25303926 NPYRJCCKSMZEAG-UHFFFAOYSA-N 306.365 3.311 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@@H]1c1ccccc1 43964096 WBTWGVJQOLCEMD-UKRRQHHQSA-N 318.417 3.263 0 40 DGAB O=C(NCC1CC1)NCC1(c2ccc(Cl)cc2)CCOCC1 56949149 CQFCVBIDSULBKX-UHFFFAOYSA-N 322.836 3.097 0 40 DGAB Cc1cccc(N2CCN(c3ccnc(Cl)n3)CC2)c1C 57315471 LYGWIPBNWKOULU-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB Cn1ccnc1C[C@H]1CCCN(Cc2cccc3[nH]ccc23)C1 97139188 GYPWFNWIMCCLFO-OAHLLOKOSA-N 308.429 3.356 0 40 DGAB CC1CCN(c2ccc(CNC(=O)C[C@@H]3C=CCC3)cn2)CC1 58055340 GSMJRCJIYCQBED-MRXNPFEDSA-N 313.445 3.290 0 40 DGAB C[C@H]1CCc2sc(C(=O)NCCC3CCN(C)CC3)cc2C1 58163746 ZZCVAGLQAQTEII-ZDUSSCGKSA-N 320.502 3.335 0 40 DGAB C[C@H](CNS(=O)(=O)Cc1ccccc1F)c1ccccc1 58281682 ORIJTZLDTHOREV-CYBMUJFWSA-N 307.390 3.049 0 40 DGAB CC(C)[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12755438 WFWQMOJQVPAYNV-LBPRGKRZSA-N 315.392 3.274 0 40 DGAB COc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 101275292 MYJHRQIHOKCBMP-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB Cc1nn(C)cc1CN(Cc1ccc(F)cc1)C[C@H]1CCCO1 57811088 LNHXBVHXYXVWNR-GOSISDBHSA-N 317.408 3.049 0 40 DGAB CCc1nc(CN2CC[C@@H](CNc3cc(C)ccn3)C2)cs1 65542382 SRPWGPJIQNMQFS-AWEZNQCLSA-N 316.474 3.343 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1C 12901753 UWWOYICVZNWEGL-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCCO2 28244156 DDJZLMLMAFSWJU-UHFFFAOYSA-N 321.336 3.100 0 40 DGAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(O)cc2F)c1 97237057 ZLXXQYXVEDAZBO-UHFFFAOYSA-N 302.305 3.132 0 40 DGAB Cc1cc(C)cc(NC(=O)CNC(=O)OCc2ccccc2)c1 67126198 REDFHAOXBFKFHE-UHFFFAOYSA-N 312.369 3.168 0 40 DGAB COCc1ccccc1NC(=O)NC[C@H](C)N1CCC(C)CC1 65409237 CUEONDIJGBTGCH-HNNXBMFYSA-N 319.449 3.075 0 40 DGAB O=C(Nc1cc(C(=O)O)c(Cl)cc1Cl)c1cccnc1 20143436 AYDFMDRVWGWOGE-UHFFFAOYSA-N 311.124 3.339 0 40 DGAB O=C(C[S@](=O)Cc1ccccc1)Nc1ccc(Cl)cc1 66300303 CPAMGDKFFDLNDB-FQEVSTJZSA-N 307.802 3.227 0 40 DGAB COCCOc1ccccc1CNC[C@H]1CCO[C@@H]1C(C)(C)C 83470164 WWDVZVAUBWXYBR-AEFFLSMTSA-N 321.461 3.253 0 40 DGAB COc1ccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)cn1 7056538 HTUPDUZHGGTGBG-UHFFFAOYSA-N 320.414 3.125 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)Nc1ccccc1OC 7042075 DDTPQJKBVAIDGU-GFCCVEGCSA-N 300.358 3.143 0 40 DGAB CN(Cc1cn[nH]c1)C(=O)c1cc(C2CC2)nc2ccc(F)cc12 80291426 SPNRDTKOBDJXLN-UHFFFAOYSA-N 324.359 3.247 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(F)c(F)c1F 7405114 JKSJZQMDBPCLLP-UHFFFAOYSA-N 323.242 3.183 0 40 DGAB CCc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 69487887 JJGPFLKYSATRHI-UHFFFAOYSA-N 320.396 3.336 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C1 71837367 KUINEPMDPQXYOX-BPKGMFCQSA-N 316.445 3.247 0 40 DGAB C[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@H](c2ccccc2)O1 71827221 NPKMQCSRAQIFTI-BLLLJJGKSA-N 318.804 3.281 0 40 DGAB O=C(Cn1cncn1)Nc1cccc(Sc2ccccc2)c1 71888127 RMDNBPWKPODKNN-UHFFFAOYSA-N 310.382 3.068 0 40 DGAB Cn1cccc1-c1nnc(C2(c3ccccc3)CCOCC2)o1 71889878 JHANYZFGTKWWHB-UHFFFAOYSA-N 309.369 3.172 0 40 DGAB COc1ccccc1CCN(C)C(=O)NCc1ccsc1 71803889 RGKRGSBAWOVDPB-UHFFFAOYSA-N 304.415 3.141 0 40 DGAB O=C(c1cc(F)ccc1F)N1CCCC[C@H](N2CCCC2)C1 69980590 RVLIMPIUPBYNPX-AWEZNQCLSA-N 308.372 3.055 0 40 DGAB Cc1ccc(NCc2cc(=O)n3c(C)csc3n2)c(F)c1 8777705 JURXLPYQTDYEDA-UHFFFAOYSA-N 303.362 3.124 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1CCc1ccncc1 72267587 JEPHMHHIRNXBOD-AWEZNQCLSA-N 304.825 3.157 0 40 DGAB c1csc(CCN2CCC[C@@H](c3noc(C4CC4)n3)C2)c1 72299902 OKJWHHOFXJNWKF-CYBMUJFWSA-N 303.431 3.431 0 40 DGAB COc1cc(CNc2nnc(C(C)(C)C)o2)cc(OC)c1OC 95990270 SSMARBFVCDCTDD-UHFFFAOYSA-N 321.377 3.005 0 40 DGAB CC(=O)Nc1cccc(COc2ccccc2-c2nc[nH]n2)c1 89265566 BTDMIGSAMIXPLO-UHFFFAOYSA-N 308.341 3.009 0 40 DGAB COC[C@H](NC(=O)N[C@H](C)c1nc(C)cs1)c1ccc(C)o1 76094150 QRXHEJLYPFFUJP-NEPJUHHUSA-N 323.418 3.101 0 40 DGAB CCCCCOc1ccc(NC(=O)C(=O)NC2CCCC2)cc1 409131555 YFIWZSNWUQIOGB-UHFFFAOYSA-N 318.417 3.253 0 40 DGAB CCN(CC)[C@H](CNC(=O)C1CCCC1)c1cccc(OC)c1 23182513 VEUBQXBLCRAEQQ-GOSISDBHSA-N 318.461 3.385 0 40 DGAB COc1nc2ccccc2cc1-c1cccc(-n2cnnc2)c1 67692526 JMHYZCDZSCTHPE-UHFFFAOYSA-N 302.337 3.491 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccoc2)C3)c1 306137072 QKVXHQIPHLZUJJ-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB C[C@H]1CC[C@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C 3846155 SUWQWMJVXMAAJM-HXPMCKFVSA-N 313.397 3.314 0 40 DGAB biogenic Cc1nc2c(cc(OCC(=O)NC3CC3)c3ccsc32)s1 39477756 CFFHNLSIAWCQME-UHFFFAOYSA-N 318.423 3.477 0 40 DGAB Cc1ccc(OCc2nc(CC(=O)N3CCCC3)cs2)cc1 33326334 GIMNWRDBMQRGNK-UHFFFAOYSA-N 316.426 3.195 0 40 DGAB CC(C)c1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cnccn1)CC2 188154978 HIJZPZZHINKIMV-GOSISDBHSA-N 324.428 3.429 0 40 DGAB CNc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)c(C)n1 72219140 ANQQJRRWLCOPOQ-UHFFFAOYSA-N 321.421 3.309 0 40 DGAB C[C@@H](NC(=O)Nc1nccs1)c1cccc(-n2cccn2)c1 72930793 FPKHNRQHCVRFEU-LLVKDONJSA-N 313.386 3.212 0 40 DGAB Cc1cccc2cc(C(=O)N3CCc4ccccc4C3)c(=O)oc12 226035484 QGPHOLLPFFPZSR-UHFFFAOYSA-N 319.360 3.300 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1CCc2[nH]c(C)nc2C1 225519191 BXWKLGALIFRHBC-HNNXBMFYSA-N 309.413 3.111 0 40 DGAB COc1cccnc1NC(=S)N[C@H](C)c1ccc(C)cc1 225471260 ULTIYBYWJSWYGN-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB COc1ccc(-c2nnc(NC(=O)C3CCCC3)s2)cc1 136323646 PJRNDQOEOWQQTO-UHFFFAOYSA-N 303.387 3.342 0 40 DGAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(F)s1 225388660 ZVCUKIICYVSXQW-UHFFFAOYSA-N 321.782 3.350 0 40 DGAB CC(F)(F)c1ccccc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C 529109955 IFLUQODDRJPHFM-HWPZZCPQSA-N 310.344 3.487 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NC[C@H](C)c1ccccc1 42646340 PIZFVFVSMHKZJJ-AWEZNQCLSA-N 310.397 3.107 0 40 DGAB O=C(O)C1CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1 225466141 KZQDNSJPXONJQF-MSOLQXFVSA-N 323.392 3.267 0 40 DGAB O=C(c1ccc(Cl)cc1)c1ccccc1CN1CCOCC1 43211443 QRLTXYMYONMZFY-UHFFFAOYSA-N 315.800 3.403 0 40 DGAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)c(C)n1 225889340 GOGBERRIWPGZIS-SJKOYZFVSA-N 306.406 3.323 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1ccc(C)c(C)c1 225465598 NNRSCMYDOHKIPO-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB CCO[C@@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@H](C)C1 225900205 IAPHFPBQWHYXCA-SJCJKPOMSA-N 306.406 3.323 0 40 DGAB CC(C)(C)OC(=O)N1CCCC[C@@H]1c1cccc(C(N)=O)c1 616613368 OAMNBZQHSFOLFA-CQSZACIVSA-N 304.390 3.248 0 40 DGAB COc1ccc(C(=O)Nc2c(Cl)cc(N)cc2OC)cc1 227147267 OKTCOOOWUCRKJT-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)N[C@H](C)CC 225091063 MMNRRTZSJFPZLK-CVEARBPZSA-N 318.461 3.427 0 40 DGAB CCn1nnc(C)c1C(=O)Nc1ccc(CCC(C)C)cc1 578411166 OWFZACQZICMQJV-UHFFFAOYSA-N 300.406 3.447 0 40 DGAB O=C(O)c1oc2ccc(Br)cc2c1OC(F)F 96510849 DBBUVYFQUXJRAX-UHFFFAOYSA-N 307.046 3.495 0 40 DGAB CCc1cc(N2CCC(Nc3ccc(Cl)cn3)CC2)ncn1 96449466 OHWJJUHVNBVBSW-UHFFFAOYSA-N 317.824 3.168 0 40 DGAB FC(F)(F)c1ccc(Br)cc1N1CCOCC1 95081281 QKJXNEHTJJHOGG-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2ccc(C)cc2)cc1C 96658865 RNNDZUWFHSWLCF-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB Cc1ccccc1CN1CCC2(CC1)CN(C(=O)C(C)C)C2 96070983 KNPLKYGEUVXDQX-UHFFFAOYSA-N 300.446 3.075 0 40 DGAB C[C@H](Cn1cc(Cl)cn1)C(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 248005931 PRGYPYDKCRXTJU-DGMCESFYSA-N 309.841 3.114 0 40 DGAB c1cc(COCC[C@@H]2CCOC3(C2)CN(C2CCC2)C3)ccn1 253588617 KJCHUUQXPLKUNX-MRXNPFEDSA-N 316.445 3.022 0 40 DGAB CN(C)c1cc([C@@H]2CCCN(C(=O)c3ccccc3)C2)ccn1 257226008 FITNKDGHTOSWTH-QGZVFWFLSA-N 309.413 3.167 0 40 DGAB Cc1cc2nc([C@H]3CCCCN3Cc3cc(C)on3)ccn2n1 257204176 ATINKRMNMZPION-MRXNPFEDSA-N 311.389 3.061 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCC(c2cnccn2)CC1 257334996 YIFNIBFBHDAWHE-UHFFFAOYSA-N 318.380 3.045 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)Cc1c[nH]c2ccccc12 257338318 YWWKYJXVJUIVPA-QGZVFWFLSA-N 322.412 3.496 0 40 DGAB COc1cc(NC(=O)c2occc2C(C)C)ccc1C(=O)O 263003421 RKFACEUYZKSRCI-UHFFFAOYSA-N 303.314 3.362 0 40 DGAB COC[C@H]1CN(Cc2ccsc2)CC12CCN(C(C)C)CC2 585103317 OGSURUXUCANURR-QGZVFWFLSA-N 322.518 3.317 0 40 DGAB CCOc1ccc(OC(=O)c2nc(SC)ncc2Cl)cc1 32798087 YNAZKXOWCQUAJT-UHFFFAOYSA-N 324.789 3.470 0 40 DGAB Cc1noc(C)c1C[C@H](C)NC(=O)N1CCCC(C)(C)CC1 74363218 IDVDYVAXQWSNJY-LBPRGKRZSA-N 307.438 3.444 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)C3(N)CCCCC3)C2)n1 97019885 CAHGWXMITPWBFM-CYBMUJFWSA-N 321.490 3.073 0 40 DGAB c1ccc(CCN2CCC(c3n[nH]c4ncccc34)CC2)cc1 12143422 NQSMWQTUSVXYGM-UHFFFAOYSA-N 306.413 3.380 0 40 DGAB CCC(=O)N(C)C1CCC2(CC1)CN(C)Cc1ccccc1O2 19498377 JZEXXJPTKCQXDZ-UHFFFAOYSA-N 316.445 3.061 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)COc1ccc(F)cc1 19935089 OTRGFMAWPQSIEI-CQSZACIVSA-N 301.361 3.342 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)NCCC2=CCCCC2)cc1 4349693 AOJCTCRADJJZTP-UHFFFAOYSA-N 316.401 3.031 0 40 DGAB Cc1cnc([C@@H]2CCCN2C(=O)Cc2c[nH]c3ccccc23)[nH]1 1848352236 MSQJPRVJYGKRBR-INIZCTEOSA-N 308.385 3.106 0 40 DGAB C[C@H](OC(=O)[C@H](N)CCC(=O)O[C@H](C)C(C)(C)C)C(C)(C)C 55124486 NWFOJMQOKNLKHC-FRRDWIJNSA-N 315.454 3.050 0 40 DGAB O=C(NCCN1CCc2ccccc2C1)c1ccc(Cl)cc1 31337914 PGUHRZAJZWKCIA-UHFFFAOYSA-N 314.816 3.128 0 40 DGAB O=C(Nn1cnc2ccccc21)[C@@H]1CCC[C@@H](C(F)(F)F)C1 40553358 PJTWZGHIZLOKHT-GHMZBOCLSA-N 311.307 3.475 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)N[C@@H]1CCSc2ccccc21 32339885 XQCMZHIOMZYPAJ-MWLCHTKSSA-N 319.348 3.307 0 40 DGAB CCOC(=O)c1sc2ncnc(Oc3cccnc3)c2c1C 21641498 WGERXDNYLBQRFF-UHFFFAOYSA-N 315.354 3.364 0 40 DGAB O=C(NCc1cccnc1)c1occc1COc1ccccc1 22242499 IMKFGBVQXGISSS-UHFFFAOYSA-N 308.337 3.184 0 40 DGAB CCc1ccc(C(=O)CSc2nnnn2-c2ccccc2)cc1 67342 SREXQWGMZZDXIC-UHFFFAOYSA-N 324.409 3.200 0 40 DGAB CCn1c(SCC(=O)c2ccc(C)cc2)nnc1C1CC1 410393 FLDQVIMTNNTOOV-UHFFFAOYSA-N 301.415 3.459 0 40 DGAB CC(C)CCCCCOc1ccc([C@@H]2NC(=O)NC2=O)cc1 2106732 MJUZYAWJCUVOOL-HNNXBMFYSA-N 304.390 3.162 0 40 DGAB biogenic CCOc1ccc(-c2nnc3n2N[C@@H](c2ccco2)S3)cc1 3843258 JFKRHNAGWYLKBW-CQSZACIVSA-N 314.370 3.285 0 40 DGAB biogenic Nc1cc(S(=O)(=O)Nc2cccc(Cl)c2)ccc1Cl 3885361 MRJWOYDJTUIBNE-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB CCCCC1=NN(C(=O)c2ccc(C)o2)[C@@](O)(C(F)(F)F)C1 4009315 KHLOONPQGBEMCJ-ZDUSSCGKSA-N 318.295 3.231 0 40 DGAB C[C@@H](NC[C@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 4263203 BPKGMOLMHLPQOF-BEFAXECRSA-N 311.425 3.266 0 40 DGAB Cc1ccccc1[C@@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21 4944820 IIUWKGHWSHKISY-AWEZNQCLSA-N 305.333 3.278 0 40 DGAB COCCn1cc(NC(=O)Nc2ccccn2)c2ccccc21 5266555 GYYMYQRACUQJIL-UHFFFAOYSA-N 310.357 3.327 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)NCc2ccc(C)cc2)cc1 6083751 IYUDBQADAFCEAJ-CQSZACIVSA-N 310.397 3.314 0 40 DGAB Cc1ccc(N2CCN(C(=O)N3CCCCC3)CC2)cc1C 6390539 HWFZDLGHFYZGLU-UHFFFAOYSA-N 301.434 3.031 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)c2ccc(O)cc2)o1 7168337 RXHLSCVWXAYSBI-UHFFFAOYSA-N 316.338 3.319 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccsc2)c1C 7855589 UWEQOUBLEVNERE-NSHDSACASA-N 319.382 3.324 0 40 DGAB C[C@@]1(c2ccccc2)NC(=O)N(Cc2ccc(Cl)s2)C1=O 9253849 LRICPRSBXJDZRY-HNNXBMFYSA-N 320.801 3.369 0 40 DGAB CCOC(=O)Nc1ccc(C(=O)Nc2ccccc2O)cc1 9390149 COFJRLOCTWMJCE-UHFFFAOYSA-N 300.314 3.213 0 40 DGAB CCc1ccccc1Nc1nnc(S[C@H]2CCOC2=O)s1 9647524 AMRFUZFBGZKXBK-NSHDSACASA-N 321.427 3.252 0 40 DGAB CCc1nnc(S[C@@H](C)C(=O)Nc2ccc(C)cc2C)[nH]1 11717031 ZTRWITMZXVKGTB-NSHDSACASA-N 304.419 3.103 0 40 DGAB O=C(NCc1ccccc1OC(F)F)c1ccc2[nH]cnc2c1 12525243 JETRRBIGTSKBQP-UHFFFAOYSA-N 317.295 3.094 0 40 DGAB C[C@@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 12540430 CZRCHJZZWRQGCQ-CYBMUJFWSA-N 305.381 3.472 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc(Cl)cc1 12794377 AGBNNCAMZPHBMA-NSHDSACASA-N 317.776 3.489 0 40 DGAB O=C(O)C[C@H](NC(=O)CCc1ccc(F)cc1)c1ccccc1 13427825 MXNJJBNUQMQOQT-INIZCTEOSA-N 315.344 3.091 0 40 DGAB COc1ccccc1NC(=S)Nc1ccc(NC(C)=O)cc1 13577437 PZKZPIKUHBENDR-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@H]1c1ccco1 13634672 WTCHJGPSUPRRGG-HNNXBMFYSA-N 309.325 3.091 0 40 DGAB Cc1cccc(CS(=O)(=O)NCCCc2ccc(F)cc2)c1 13647563 LNTMOGGHKDZGGC-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB COc1cc2c(cc1OC)[C@@H](CNC(=O)/C=C\c1ccccc1)C2 16978121 HWLXMCMRERXUQW-HLRDLLSLSA-N 323.392 3.173 0 40 DGAB Fc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 19340981 KXMJBUKKFGONFI-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB Cc1nn2c(=O)cc(COc3ccc(Cl)cc3C)nc2s1 20858948 RGHMZNMCWJZKBP-UHFFFAOYSA-N 321.789 3.000 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)c2ccc(Cl)s2)o1 21188194 OEJWPGKCVNCXIA-MRVPVSSYSA-N 305.808 3.342 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3ncccc3C)o2)cc1 23055353 NXJYOOGQMCAHAE-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB Cc1cccc(CC(=O)NC[C@H](c2cccs2)N(C)C)c1 23105575 KUWCOKQHAPZWFN-OAHLLOKOSA-N 302.443 3.018 0 40 DGAB CCc1noc(C)c1C(=O)O[C@@H](C)c1nc(C(C)(C)C)no1 24046940 UPEUOYWCEQYKND-VIFPVBQESA-N 307.350 3.144 0 40 DGAB Cc1ccc(/C=C/c2nc(N)nc(-c3ccccc3O)n2)cc1 24543486 IRANTONVAZNUMY-ZHACJKMWSA-N 304.353 3.305 0 40 DGAB O=C(NCc1ccc(Br)s1)[C@H]1CC=CCC1 25471726 IYBSBMLKXDJTNF-VIFPVBQESA-N 300.221 3.483 0 40 DGAB CN1CCC(NC(=O)c2ccccc2Nc2ccccc2)CC1 25598054 MCYVNWHVLNGFCR-UHFFFAOYSA-N 309.413 3.254 0 40 DGAB Cc1nc(-c2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)co1 32778170 ZLGMWWDABVZHAF-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB Cc1ccsc1C(=O)NC[C@@H](C)N1CCc2sccc2C1 32817178 AZWQJMCJPUCIBN-GFCCVEGCSA-N 320.483 3.295 0 40 DGAB CC[C@](C)(NCc1ccccc1)c1nnnn1-c1ccc(C)cc1 35622744 KSYQYLWMNZBIHL-IBGZPJMESA-N 321.428 3.386 0 40 DGAB Cc1ccc2c(cnn2CCC(=O)NCc2cccc(F)c2)c1 40758811 KHJWCMHLBCAWDR-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB CN(CCCNC(=O)c1cccc(F)c1)Cc1ccccc1 41566754 YNOZWOYCSLKSLN-UHFFFAOYSA-N 300.377 3.078 0 40 DGAB COC(=O)c1cccc(NC(=O)CCc2ccccc2F)c1C 44630500 YBRIEQORHLRRMH-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CC(C)CCC(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 44913422 XGISBOWGZRWLOW-AWEZNQCLSA-N 304.438 3.104 0 40 DGAB Cc1nc(-c2ccc(CNC(=O)CC[C@H]3CCCO3)o2)cs1 46175950 AHLGWHXDPHICDU-GFCCVEGCSA-N 320.414 3.287 0 40 DGAB COc1cccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)c1 47794753 AYBPATYPMMGNBJ-IBGZPJMESA-N 324.424 3.149 0 40 DGAB COc1ccccc1C[C@@H](C)NC(=O)c1c(C)noc1C(C)C 55665945 JAHOMFPHFUZDKL-GFCCVEGCSA-N 316.401 3.476 0 40 DGAB O=C(Nc1ccccc1N1CCOC1=O)c1ccc(F)cc1 58159229 BQRGAESCAQBBNX-UHFFFAOYSA-N 300.289 3.035 0 40 DGAB CCc1ccsc1C(=O)Nc1ccn(Cc2ccccn2)n1 58277346 MXTZQTMZYMRLBR-UHFFFAOYSA-N 312.398 3.203 0 40 DGAB CC(C)(C)C[C@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 58367952 OOCQSADRVHSAOH-CQSZACIVSA-N 323.458 3.131 0 40 DGAB CC(C)N(C(=O)CCc1nc(-c2ccsc2)no1)C1CC1 58428305 PSJDPBUVDDSOMF-UHFFFAOYSA-N 305.403 3.130 0 40 DGAB C[C@H](Cc1c(F)cccc1F)NC(=O)c1cc(C2CC2)on1 58518784 KWHCXHWXAJCDFK-SECBINFHSA-N 306.312 3.191 0 40 DGAB Cc1nnc(SCCCSc2nnc(C)s2)s1 61172104 XNWZQVNIVXAKHI-UHFFFAOYSA-N 304.491 3.281 0 40 DGAB Cc1nn(-c2cccc(C(=O)n3ccnc3)c2)c(C)c1Cl 62700658 LIEKMQJLAOBDDP-UHFFFAOYSA-N 300.749 3.028 0 40 DGAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3ccccn3)n2)cc1 67898614 HZTLHVFATKAUPU-SFHVURJKSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro CC(C)(C)OC(=O)Nc1ccccc1NC(=O)c1csnn1 68773767 HJUVHLZBPMBDLH-UHFFFAOYSA-N 320.374 3.137 0 40 DGAB C[C@H](c1ccccc1Cl)N(C)CC1CCN(CCO)CC1 69628636 JGRGHBXFVSCRNO-CQSZACIVSA-N 310.869 3.037 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2csc(C(C)C)n2)c1 70022056 CMHWYHZLPPMABK-CYBMUJFWSA-N 318.446 3.076 0 40 DGAB CCOC(=O)Nc1ccc(NC(=O)NC2CCSCC2)cc1 71851836 DJQXFNXXZBZEGD-UHFFFAOYSA-N 323.418 3.272 0 40 DGAB Cc1noc([C@@H](C)[S@](=O)Cc2ccc(F)cc2Cl)n1 71888553 DAVHKSKFLMQWIY-XJZHNMMOSA-N 302.758 3.180 0 40 DGAB COc1ccc(OC)c(C(=O)CCCNC(=O)OC(C)(C)C)c1 72221868 FFUZPCMLLWCQDT-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)cc1 72228086 BGFGFQQCKOVOMF-JKSUJKDBSA-N 316.788 3.154 0 40 DGAB COc1ccc(C(=O)Nc2cc(N(C)C)c(N)cc2Cl)cc1 72229590 TXOFSNGTCVTBNA-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@@H]1c1nccs1 72272081 PKOYOTWUZRCFLW-UKRRQHHQSA-N 314.410 3.200 0 40 DGAB C[C@H](CC[S@](C)=O)NC(=O)Nc1cc(Cl)ccc1Cl 76092088 XUAOSVRCXLCELW-LILOVNGRSA-N 323.245 3.272 0 40 DGAB O=C(NCC[C@H](O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 81253725 SWNRTMHLFQGUCU-LMFLDHGRSA-N 313.441 3.443 0 40 DGAB O=C(Cn1ccnc1)N[C@@H]1CCCOc2c1ccc1ccccc21 84370406 OYTRCFQZGIBJKF-QGZVFWFLSA-N 321.380 3.066 0 40 DGAB CC(=O)NC(C)(C)c1noc([C@@H](C)OC2CCCCCC2)n1 89913627 XEGQUEBSZZISDV-LLVKDONJSA-N 309.410 3.241 0 40 DGAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1ccc(Br)cc1 95095937 SETIOMOERBJLLR-UWVGGRQHSA-N 311.097 3.468 0 40 DGAB Cc1cc(N(Cc2ccccc2)C[C@H](O)c2ccco2)ncn1 95430795 RHHWUXWPDVPDSU-INIZCTEOSA-N 309.369 3.118 0 40 DGAB CCOC(CN(Cc1ccc2c(c1)OCO2)C(C)(C)C)OCC 95470478 BHMBZUBPHVMXNM-UHFFFAOYSA-N 323.433 3.415 0 40 DGAB CC(C)Sc1c(Cl)cccc1NC(=O)N1CC[C@@H](O)C1 95964845 PIJSPMWKSKCBCZ-SNVBAGLBSA-N 314.838 3.439 0 40 DGAB Cc1nnc(SCC[C@@H]2CCCN2C)n1Cc1ccccc1 95975904 MSCVGPVCYVBQLI-INIZCTEOSA-N 316.474 3.211 0 40 DGAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cc2cnn(C)c2)o1 96433297 WQMLSOIBBGTHBF-XJKSGUPXSA-N 315.417 3.118 0 40 DGAB CN(CCc1cccs1)C(=O)Nc1ccc2c(c1)OCO2 96433591 BNOHARHJEQNCSG-UHFFFAOYSA-N 304.371 3.183 0 40 DGAB CC(=O)NC[C@@H]1CCCN(c2c(C)c(C)nc3ccccc23)C1 97085931 NRZGFHVZCHUXNZ-INIZCTEOSA-N 311.429 3.204 0 40 DGAB CC(=O)NC1CCC(N[C@H]2CCCC[C@H]2OC2CCCC2)CC1 97102540 QUEHNMUSUUTRNC-YVZJPGBNSA-N 322.493 3.294 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102798357 FXQVPKZHZRWGSL-JFIYKMOQSA-N 313.441 3.287 0 40 DGAB CCOC(=O)[C@H]1C[C@@]1(C)[C@@H]1CC[C@]2(C)[C@@H](C1)[C@@H]2C(=O)OCC 104051778 DVMQQAMKHPKYQE-DNDIHPSWSA-N 308.418 3.191 0 40 DGAB CCCC[C@H](CC)CN1C(=O)[C@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C1=O 104315717 MBNUDOVYZALAPP-CKENWRIRSA-N 309.837 3.371 0 40 DGAB Cc1nc2ccc(C(=O)n3cccc/c3=N\C(C)C)cc2nc1C 104722378 CEUFIQBZAWTWCW-CZIZESTLSA-N 320.396 3.046 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccoc2)cc1 186122175 GZVDXXILCYVWKZ-KBPBESRZSA-N 307.415 3.101 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CNC1CCN(c2ncccn2)CC1 191092211 UWGVNDOOTVHTNM-WBVHZDCISA-N 300.450 3.027 0 40 DGAB COc1ccc(CC(=O)NCCc2ccc(F)cc2)cc1C 225126785 QXOYAXXCUXHRKP-UHFFFAOYSA-N 301.361 3.044 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCC 225199243 UWLLEFXOSYKXPF-CQSZACIVSA-N 322.424 3.259 0 40 DGAB CC(=O)N1CCC2(CC1)CC(=O)c1ccc3ccccc3c1O2 225824946 PBVCDAWXGCHRQE-UHFFFAOYSA-N 309.365 3.186 0 40 DGAB COc1ccccc1CCC(=O)NC(C)(C)c1ccc(C)nc1 390834009 QHNHROKFHDHQMY-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB c1ccc(CNCCc2nc([C@H]3CCCSCC3)no2)cc1 575415108 RLNNVIMOXNWGQH-HNNXBMFYSA-N 317.458 3.403 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2-c2cn3c(n2)CCCC3)no1 575620282 PFXVKZGCTATHRL-UHFFFAOYSA-N 322.368 3.435 0 40 DGAB CCOc1cccc(CNC(=O)c2ocnc2C(F)(F)F)c1 585120721 FRFMDXLHUOSYOE-UHFFFAOYSA-N 314.263 3.022 0 40 DGAB O=C(Nc1cnn(CC2CC2)c1)N1CCc2c(F)cccc21 683455178 KSKXLHIRYQIXKQ-UHFFFAOYSA-N 300.337 3.027 0 40 DGAB O=C(N[C@H]1CCN(CCCC2CCCC2)C1)c1ccccc1 1009949100 IOGSYKAVWJXUFP-SFHVURJKSA-N 300.446 3.461 0 40 DGAB COc1nc(OC)nc(N(c2ccccc2)c2ccccc2)n1 129496 HRSBITDHPVDCSM-UHFFFAOYSA-N 308.341 3.359 0 40 DGAB COCc1nnc(NC(=O)c2ccc(C(C)(C)C)cc2)s1 148974 XIXHCZPACNSOJQ-UHFFFAOYSA-N 305.403 3.234 0 40 DGAB CCOc1cccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)c1 382596 VCOGNHPMGCTNOS-CQSZACIVSA-N 324.380 3.077 0 40 DGAB CSc1nc2c(NCc3ccc(Cl)cc3)ncnc2[nH]1 1622165 JSXIODRNTCECLQ-UHFFFAOYSA-N 305.794 3.340 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCN(c2ccccc2)CC1 1745043 VNRLSOMNWLQRHF-RTBURBONSA-N 306.409 3.139 0 40 DGAB Cc1ccsc1[C@H](CC(=O)O)NC(=O)OCc1ccccc1 2511989 UEFZORVRDCZIAR-ZDUSSCGKSA-N 319.382 3.499 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2ccc(Cl)cc2)cc1 3217070 GLRVFCMURQZNAV-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)N[C@@H](C)c1ccc(F)cc1 3545392 AAWRBLWCBFBQRK-ZDUSSCGKSA-N 315.344 3.168 0 40 DGAB O=c1sc2ccccc2n1Cc1nnc(-c2ccccc2)o1 4291788 YAPZCDIWMQVGRA-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CC(=O)O[C@H](c1ccnc2ccccc12)[C@H]1CC2CCN1CC2 4822394 AQPAKLCDHXUDCB-RTBURBONSA-N 310.397 3.323 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H]1CC(=O)N(C2CCCC2)C1 4975895 HKWHOVYWOKNDRY-LBPRGKRZSA-N 320.820 3.378 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)c1nnc(SC)o1 5072415 ZQSGJTCCWCBTLH-BDAKNGLRSA-N 301.412 3.403 0 40 DGAB Cc1c(C(=O)N2CCc3ccccc3C2)oc2c1C(=O)CCC2 5322533 LSOANCRGJSUNRI-UHFFFAOYSA-N 309.365 3.306 0 40 DGAB O=C(O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Br 5679731 VAEQUGGDYIQASA-NXEZZACHSA-N 324.174 3.055 0 40 DGAB NS(=O)(=O)c1cccc(NC(=O)CCCC2CCCCC2)c1 5864276 XGOBJZKODBCNPT-UHFFFAOYSA-N 324.446 3.023 0 40 DGAB C[C@@H]1NC(=O)C[C@@H](c2ccccc2)N(N=O)[C@H]1c1ccccc1 5882889 QQAIQSYUNZHALI-QANKJYHBSA-N 309.369 3.361 0 40 DGAB COc1ccc(-n2c(S)nnc2-c2ccccc2)cc1OC 6181957 FQQSSGKAXYUGFZ-UHFFFAOYSA-N 313.382 3.240 0 40 DGAB CC(C)CNC(=O)[C@@H](C)Sc1nccn1-c1cccc(F)c1 7178209 ATCHYYAOGXPAEO-GFCCVEGCSA-N 321.421 3.264 0 40 DGAB Cc1cc(C)n2nc(SCC(=O)c3ccc(C)s3)nc2n1 7313734 GAAXXAHZGNLQDZ-UHFFFAOYSA-N 318.427 3.086 0 40 DGAB O=C(O)c1nc(-c2ccc(Cl)cc2)n(-c2ccc(F)cc2)n1 8730842 BWRJCGGLCBUTBM-UHFFFAOYSA-N 317.707 3.425 0 40 DGAB O=C1Nc2ccccc2/C1=C\c1cnn(Cc2ccccc2)c1 9365152 FBSNKYVKEGWSOA-LICLKQGHSA-N 301.349 3.424 0 40 DGAB COc1cccc(C(=O)NC[C@H](c2ccc(C)cc2)N(C)C)c1 10017884 KUMMQVPQKJKKPC-GOSISDBHSA-N 312.413 3.036 0 40 DGAB CN(C)c1ccc(C(=O)NCCCOC2CCCCC2)cc1 10738415 JWMGOEYQNMHDIP-UHFFFAOYSA-N 304.434 3.222 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccc(F)cc2)c(C)cc1C 11613849 KCTKFUKMRWXNMW-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCc1nc2ccccc2[nH]1 12585262 NBMLYTSXWSXYRY-UHFFFAOYSA-N 315.760 3.155 0 40 DGAB O=c1c2cc(OCCCc3ccccc3)ccc2nc2n1CCC2 12901145 AZHOJGUVEONKIH-UHFFFAOYSA-N 320.392 3.354 0 40 DGAB biogenic CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c1 13469943 UGHKGBZJVKFHOJ-OLZOCXBDSA-N 317.385 3.295 0 40 DGAB CCOC(=O)c1sc(N2CCCCC2)nc1C(F)(F)F 15443623 XWDSUHQVOIRDMH-UHFFFAOYSA-N 308.325 3.329 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)c(Cl)c1 20139404 YDRIYLWOANXUJR-UHFFFAOYSA-N 303.745 3.277 0 40 DGAB CC(C)Oc1cccc(C(=O)NCc2ccc(C(=O)O)cc2)c1 20141599 PPMGDSXOHVHMSY-UHFFFAOYSA-N 313.353 3.102 0 40 DGAB NCc1ccc(NC(=O)c2ccccc2Br)cc1 20224328 XKCTWPWIXZIMNY-UHFFFAOYSA-N 305.175 3.160 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C(=O)c2cccs2)C1 24772775 WCAXMLLZCYJHRA-CYBMUJFWSA-N 314.410 3.239 0 40 DGAB COC(=O)c1cc(CNc2cccc(NC(C)=O)c2C)oc1C 26783619 MTYMXNFQIGSOMZ-UHFFFAOYSA-N 316.357 3.254 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2ccc(F)cc2F)cc1 29976657 UIWWYQJRDHDFNH-UHFFFAOYSA-N 318.367 3.393 0 40 DGAB COc1cccc(NC(=O)Cc2cnc(-n3cccc3)s2)c1 32105503 MUDBULGPMMVHCS-UHFFFAOYSA-N 313.382 3.124 0 40 DGAB Cc1ccc(C[C@H](CC(=O)Nc2ccc(F)cc2)C(=O)O)cc1 35141835 BJMZTVIKOGEZQZ-CQSZACIVSA-N 315.344 3.406 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccccc3Cl)C2=O)c1 36635371 TWPZOBDRRKRLKE-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB COCCOCCCNc1ncc(C(F)(F)F)cc1Cl 40004976 PNHGHFXRZNHZIC-UHFFFAOYSA-N 312.719 3.219 0 40 DGAB CC(=O)Nc1nc(-c2ccc(C)cc2C)c(CC(=O)O)s1 41529468 BFPHOXQZLUKNQM-UHFFFAOYSA-N 304.371 3.012 0 40 DGAB Cc1ccc(C(=O)NCc2c(C)nn(-c3ccccc3)c2C)o1 44870034 KOBOVGIREGVSQD-UHFFFAOYSA-N 309.369 3.321 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccc(C)cn3)o2)cc1 44890077 AMCBFIVCFOVBPU-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2ccc(C(C)(C)C)cc2)no1 44938121 PBRQTZXAWWZSIB-UHFFFAOYSA-N 307.415 3.396 0 40 DGAB Cc1cccc(NC(=O)NCCCN(C)CC(F)(F)F)c1 45949340 UFGUWSSUNJHLLE-UHFFFAOYSA-N 303.328 3.001 0 40 DGAB COc1c(C)cnc(CNc2nccc(C(F)(F)F)n2)c1C 50953290 PIEWXRHMGUZCKH-UHFFFAOYSA-N 312.295 3.128 0 40 DGAB O=C(C=C(C1CC1)C1CC1)Nc1ccccc1Cn1cncn1 55970522 VXQGAOKXBUOPBC-UHFFFAOYSA-N 308.385 3.011 0 40 DGAB CCOCCNC(=O)Nc1cccc(-c2nc(C)c(C)o2)c1 56739024 PCKDTGLRHRLJHN-UHFFFAOYSA-N 303.362 3.116 0 40 DGAB COc1ccncc1NC(=O)C1(c2ccc(F)cc2)CCC1 58305109 VNQVCHDMUOPSRN-UHFFFAOYSA-N 300.333 3.290 0 40 DGAB CCCN(CC(F)(F)F)C(=O)CSCc1ccncc1 58367280 TXXFOJZODAJUGD-UHFFFAOYSA-N 306.353 3.116 0 40 DGAB Cc1ncsc1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 65504905 QQXPUMFCERILBB-BXUZGUMPSA-N 302.399 3.054 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](n2cccn2)C1 65609720 IRFQUXIKVSMQSW-FUHWJXTLSA-N 309.413 3.167 0 40 DGAB O=C(Nc1ccccc1)Nc1cccc(CNC(=O)NC2CC2)c1 69511647 SNXCNONUDGTFCR-UHFFFAOYSA-N 324.384 3.292 0 40 DGAB CO[C@@H](C)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 69513380 PKIAWADJEXNEEW-GWCFXTLKSA-N 301.308 3.404 0 40 DGAB CC(C)c1nnc2n1C[C@@H](CNc1nc3ccccc3o1)CC2 69661187 CMCOVZKIAZQOJD-GFCCVEGCSA-N 311.389 3.217 0 40 DGAB C[C@@H](N)[C@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 70172782 PATYZPHLABXJRK-ZJUUUORDSA-N 301.217 3.193 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccncc1 71279705 LMTWZAXKESEJCM-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB Cc1cccc(NC(=O)CCn2ccc3ccccc32)c1C(N)=O 71914856 WOWMUKOLLVRCRQ-UHFFFAOYSA-N 321.380 3.077 0 40 DGAB FC(F)(F)Cn1nnnc1S[C@H]1CCCc2ccccc21 72067916 UIROEHFFTGUJCJ-NSHDSACASA-N 314.336 3.405 0 40 DGAB CC(C)C[C@H](CCO)CNC(=O)N[C@@H]1CCc2ccccc21 73561430 CSOGKZMBSVDOSG-WMLDXEAASA-N 304.434 3.018 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)N[C@@H](C(C)(C)C)C(F)(F)F 75148379 AAHVAIZEJDXTJM-NSHDSACASA-N 324.387 3.022 0 40 DGAB Cc1ccc(N2CCC[C@H](c3nnc4n3CCCCC4)C2)nc1 76061618 DOMIOKPLCNUEDS-HNNXBMFYSA-N 311.433 3.092 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccccn2)cc1 76940763 NNVYPWSXCDQRRP-STQMWFEESA-N 316.426 3.448 0 40 DGAB Cn1nc(C(C)(C)C)cc1C(=O)Nc1cccc(-n2ccnc2)c1 77648393 GEHRYFOGOSXPBS-UHFFFAOYSA-N 323.400 3.156 0 40 DGAB CCN(Cc1cccc(NCc2scnc2C)c1)C(C)=O 78975375 DRRBNFKVIMNPDD-UHFFFAOYSA-N 303.431 3.432 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2scnc2C)c1 79108855 YBGBDOHAIQKZJX-UHFFFAOYSA-N 301.371 3.054 0 40 DGAB Cc1cc(CNC(=O)NC(C)(C)c2ncc(C)s2)c(C)o1 80140946 FNSSLXUHAQFQFV-UHFFFAOYSA-N 307.419 3.396 0 40 DGAB NC(=O)N1CCC(COc2cc(Cl)cc(Cl)c2)CC1 80566614 PWZVNXSTPBIGGO-UHFFFAOYSA-N 303.189 3.163 0 40 DGAB CCc1ocnc1C(=O)Nc1cc(C(F)(F)F)ccc1O 81458270 FLFYGHCBZMAIBJ-UHFFFAOYSA-N 300.236 3.214 0 40 DGAB CC(C)C[C@@H](NC(=O)c1cccs1)c1n[nH]c(=S)n1C 85400220 FZRPHMBSDXCBPM-SECBINFHSA-N 310.448 3.056 0 40 DGAB O=C(c1cc2c([nH]c1=O)CCCCC2)N1CCCCCCC1 89764847 GIVHRHWMYHFWOQ-UHFFFAOYSA-N 302.418 3.050 0 40 DGAB c1ccc2c(c1)CC[C@H]2NCc1ccnc(O[C@@H]2CCOC2)c1 90954243 UZNNTYNTDBESKI-SJLPKXTDSA-N 310.397 3.026 0 40 DGAB Cc1nnc(CN2CCCc3c(Br)ccc(C)c32)o1 95464677 PLHJAHKTHWKYRA-UHFFFAOYSA-N 322.206 3.402 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1 95943365 ULZFGSHGVLWZTA-UBHSHLNASA-N 308.447 3.374 0 40 DGAB COc1ccccc1C[C@@H](C)CC(=O)N(C)Cc1cc(C)on1 96404722 PGRMLDKOTCCLTL-CYBMUJFWSA-N 316.401 3.219 0 40 DGAB COC(=O)[C@@H](C)S[C@@H](C)c1nc(Cc2ccc(F)cc2)no1 96461772 MUBZFQSITACKJI-VHSXEESVSA-N 324.377 3.155 0 40 DGAB Cc1ccc([C@H](C)N[C@@H]2CCN(C(=O)C3CCCC3)C2)s1 97017337 KKVDOIGYEGFFOO-DZGCQCFKSA-N 306.475 3.498 0 40 DGAB O=C(N[C@@H]1C=C[C@H](CO)C1)N[C@H](CC1CCC1)c1ccccc1 97048274 YNZNJQQNWDTTCQ-CGTJXYLNSA-N 314.429 3.154 0 40 DGAB CCCn1cc(C(=O)Nc2ccc(Oc3cccnc3)nc2)cn1 97081437 FCQTYQKNHYLPKD-UHFFFAOYSA-N 323.356 3.128 0 40 DGAB COc1ccc(F)c(NC(=O)N(C[C@@H](C)O)C2CCCCC2)c1 97113362 BFSKEWWTBYTKEJ-GFCCVEGCSA-N 324.396 3.382 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)[C@H](C)N2CCCCCC2)C12CCCC2 106920552 NZFXPUOGANSHAT-GVDBMIGSSA-N 322.493 3.105 0 40 DGAB CCC(CC)[C@H]1C[C@@H](NC2CCC3(CC2)OCCO3)CCO1 157892699 VAGDTCNDNJCNCF-DLBZAZTESA-N 311.466 3.246 0 40 DGAB COc1ccc(C[S@](=O)CC[C@@H]2CCCO2)c(Cl)c1 195577197 LLYOKNYRSCNVDC-HXPMCKFVSA-N 302.823 3.166 0 40 DGAB C[C@H]1Cc2ccccc2N1CCCNC(=O)Cc1cccs1 223486462 XJNKUNSQEHKILO-AWEZNQCLSA-N 314.454 3.248 0 40 DGAB Cc1cc(NC(=S)NCC(C)C)ccc1N1CCCC1=O 225276448 DIPYTQVWNBDUJD-UHFFFAOYSA-N 305.447 3.064 0 40 DGAB C[C@@H]1CCCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253479979 UGAJKEUNTZQXSB-BCDMZGRMSA-N 309.494 3.311 0 40 DGAB Cc1ccnc([C@H]2CCN(Cc3cn(C)c4ccccc34)C2)n1 257234965 GVUSMAYNLZYKPL-HNNXBMFYSA-N 306.413 3.266 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(Cc2c[nH]nc2-c2ccccc2)C1 257247153 IXSNAKZCDLXYPK-HNNXBMFYSA-N 307.401 3.098 0 40 DGAB Cc1nc([C@H]2CCCN2)nc2c1CCCN2CCc1ccccc1 257268264 MKXVKIVCALQTHC-GOSISDBHSA-N 322.456 3.205 0 40 DGAB c1c[nH]c(-c2nccnc2C[C@H]2CCN(C3CCCCC3)C2)n1 257317778 VLBYRLCRGGPNGM-CQSZACIVSA-N 311.433 3.064 0 40 DGAB CC(C)Oc1cncc(C(=O)N[C@](C)(C2CC2)C(F)(F)F)c1 332181817 WWLCCSCYHCJVRC-CQSZACIVSA-N 316.323 3.330 0 40 DGAB Cc1ccc(CN(C)C)cc1NC(=O)c1ccc(NC2CC2)nc1 530658803 LBJBOGFSUGIPNF-UHFFFAOYSA-N 324.428 3.278 0 40 DGAB COCCCC[C@H](NOCCN)c1ccc(C(C)(C)C)cc1 584578361 NXHOGYWLOTVOEL-KRWDZBQOSA-N 308.466 3.322 0 40 DGAB Cc1cc(NCc2ccc(-c3ccoc3)cc2)n2ncnc2n1 1889219207 LNNMXPTWZFSYBG-UHFFFAOYSA-N 305.341 3.305 0 40 DGAB O=S(=O)(c1ccccc1C(F)(F)F)N1CCCCCC1 74708 LWBOXKMJOXFAHZ-UHFFFAOYSA-N 307.337 3.270 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)Cc2ccccc2)c(OC)c1 147321 DWMSGRMNYYDLQP-ZRDIBKRKSA-N 311.381 3.376 0 40 DGAB COc1cc(OC)c(-c2cc(C(=O)O)ccc2OC)c(OC)c1 381784 FTOKVNNBVHKXMH-UHFFFAOYSA-N 318.325 3.086 0 40 DGAB CC(C)Sc1nc2sc(-c3ccccc3)cc2c(=O)n1N 383377 JTPYTQNXXTYKKO-UHFFFAOYSA-N 317.439 3.339 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@@H]2C(=O)NC2CCCC2)c1 1341885 BDZDSDRDHZHQGU-MRXNPFEDSA-N 315.417 3.050 0 40 DGAB CCCCC[n+]1ccc(NC(=O)c2ccccc2C(=O)O)cc1 1777399 CXQJRTINIHVNKN-UHFFFAOYSA-O 313.377 3.115 0 40 DGAB CCCC(=O)O[C@@H](COCc1ccccc1)CN(CC)CC 2272354 FYIWBCSEAWCYSW-QGZVFWFLSA-N 307.434 3.257 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(F)cc1F 3487324 CMOBGLNMPORTDW-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB C[C@H](NC[C@H](O)COc1ccc2c(c1)CCC2)c1ccccc1 4263202 BPKGMOLMHLPQOF-KXBFYZLASA-N 311.425 3.266 0 40 DGAB CCOc1cccc2cc(C(N)=O)/c(=N/c3ccccc3C)oc12 4744506 RKEACWFLPUZLOL-VZCXRCSSSA-N 322.364 3.471 0 40 DGAB CC[C@@H]1CCc2c(sc(NC(=O)CC(C)C)c2C(N)=O)C1 5719048 GZDTWGDXXHVZAX-SNVBAGLBSA-N 308.447 3.347 0 40 DGAB O=C(CSC1=NCCS1)N[C@@H]1CCCc2ccccc21 6049409 FPEHYTBPWCRSCE-CYBMUJFWSA-N 306.456 3.016 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cn1 6789573 FTEAMKNAWLSPDO-UHFFFAOYSA-N 306.749 3.070 0 40 DGAB O=C(/C=C/c1ccccc1F)Nc1nnc(C(F)(F)F)s1 6884405 VMLQIBZPAMIJPO-AATRIKPKSA-N 317.267 3.348 0 40 DGAB Cc1cc(C)cc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)c1 7928706 ZSTWVEKPYBWHKF-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB COc1ccc(CN(C)CC(=O)Nc2ccccc2F)cc1F 8132093 AJBHBFNRABRCBO-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB CC1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccncc2)N1 8742753 ISJDOVDEEAJOEH-MRXNPFEDSA-N 323.787 3.425 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2cc(C)cc(C)c2)C1 8828970 VNHISLSKUFMGDN-AWEZNQCLSA-N 320.458 3.275 0 40 DGAB O=C1c2ccccc2C(=O)N1c1cccc(OC[C@@H]2CCCO2)c1 10296279 KMKPOWQTPKDJQL-HNNXBMFYSA-N 323.348 3.045 0 40 DGAB COc1cccc(-c2ocnc2C(=O)N[C@@H](C)c2ccncc2)c1 12115164 NAMQDUBRCDGWOV-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB CC[C@H](NC(=O)C1Oc2ccccc2O1)c1ccc(F)cc1 12199858 JELMGOWLEKEQMX-ZDUSSCGKSA-N 301.317 3.191 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2cccnc2)c1OC(F)F 12516899 STRKNUHZVDIPCF-BQYQJAHWSA-N 320.295 3.344 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@H]2COc3ccccc3O2)c(C)c1 12760914 KICKXGCSBIPULH-FVNWOWOISA-N 323.392 3.273 0 40 DGAB O=C(Cc1ccccc1)NCCC(=O)Nc1cccc(Cl)c1 12765657 UZIPIMHNVWBSPM-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@H](c1ccc(F)cc1)N2 13131381 IPTAKXBCVHXFHW-HUUCEWRRSA-N 309.348 3.146 0 40 DGAB aggregator CCCCC(=O)N[C@H](C)c1nc(-c2ccc(OC)cc2)no1 13495091 NUGYICKEGQMXAW-LLVKDONJSA-N 303.362 3.113 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14117644 XODDFPKWXOMQQH-GXSJLCMTSA-N 309.291 3.486 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)OCCCO3)c1 16789817 ITQFDHUBZHTPMC-UHFFFAOYSA-N 311.337 3.303 0 40 DGAB CSc1nc2nc(-c3ccc4ccccc4c3)cc(O)n2n1 18240873 XRZHMTGBKRUITM-UHFFFAOYSA-N 308.366 3.372 0 40 DGAB CCOC(=O)c1ccoc1COc1ccc2ccc(=O)oc2c1 18956435 LPWBLXZNLMNNTG-UHFFFAOYSA-N 314.293 3.142 0 40 DGAB COc1cc2ccccc2cc1C(=O)NCCCN1CCCC1 20045634 VQQQMGGSFAWWOP-UHFFFAOYSA-N 312.413 3.064 0 40 DGAB Cc1ccc(C)c(C(=O)COC(=O)c2cc(Cl)cn2C)c1 22003119 XKOHIMLKXVOICW-UHFFFAOYSA-N 305.761 3.335 0 40 DGAB COCc1ccccc1CNC(=O)N1CCc2ccccc2C1 26390810 VYPFPMBMDPBGGM-UHFFFAOYSA-N 310.397 3.101 0 40 DGAB CN(Cc1ccc(C(=O)NC2CC2)cc1)c1nc2ccccc2o1 30861455 LZGHAFFUPYJNII-UHFFFAOYSA-N 321.380 3.356 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCc3sccc3[C@@H]2C)cc1 31075962 MOJMJHWCFDYZKL-LBPRGKRZSA-N 307.440 3.365 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccco1 31252592 REAGAYUALFTRSV-CYBMUJFWSA-N 305.399 3.097 0 40 DGAB CC(C)(C)c1nnc2n1N1C(=CS[C@@H]1c1cccnc1)S2 36080049 GOSTVIUAIKTTGQ-LLVKDONJSA-N 317.443 3.259 0 40 DGAB COc1ccc(-c2nnsc2C(=O)Nc2ccccc2)cc1 36354341 FVOUEHYXJSULKT-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Nc1ccc(NC(=O)Cc2ccccc2)c(Br)c1 36738476 JXONEILKZRNPHZ-UHFFFAOYSA-N 305.175 3.213 0 40 DGAB Cc1csc(CCNCc2c[nH]nc2-c2cccs2)n1 42228599 UAJVSSZQTLFOHF-UHFFFAOYSA-N 304.444 3.235 0 40 DGAB NC(=S)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 45888045 KITIRQBQPWBJIR-UHFFFAOYSA-N 303.353 3.351 0 40 DGAB COc1ccc(C2=CCN(C(=O)c3cc(C(C)=O)c[nH]3)CC2)cc1 49278127 GFMPHZNJJZQDDN-UHFFFAOYSA-N 324.380 3.155 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)CCc2ccccc2)c1C 58180150 KSBMMJPQEVSFRH-UHFFFAOYSA-N 312.413 3.298 0 40 DGAB CCN1CCC(NC(=O)Cc2cc(Cl)ccc2Cl)CC1 58265325 DWPAHVLGYMPHID-UHFFFAOYSA-N 315.244 3.136 0 40 DGAB CNc1snc(C)c1C(=O)N1CCc2ccc(Cl)cc21 58932526 PPKJKHWGOFPZSK-UHFFFAOYSA-N 307.806 3.350 0 40 DGAB Cc1noc([C@@H](C)NC(=O)Cc2ccc(Cl)cc2Cl)n1 60241700 QWDRSMJVDYZUKG-SSDOTTSWSA-N 314.172 3.105 0 40 DGAB Cc1cc(NC(=O)C2CCC2)n(-c2ccc(C(F)(F)F)cn2)n1 65491459 MRVKVXAHDMKQCE-UHFFFAOYSA-N 324.306 3.333 0 40 DGAB CCN(CCC(F)(F)F)C(=O)Cc1ccc(OC)c(OC)c1 65575412 AACLRCUSGLOEAD-UHFFFAOYSA-N 319.323 3.047 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Nc2cccc(OC)c2)c1 68578236 GQMIRJIWQPBLBO-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB C/C1=N\CCCNC(C)(C)C/C(C)=N/CCCNC(C)(C)C1 68604550 MSSQKRFDIDGBSG-MXWIWYRXSA-N 308.514 3.219 0 40 DGAB CC(C)(C)c1nnc(COc2cccc3c2CCC[C@H]3O)o1 69150530 HSWGMAHWGHXWPQ-CYBMUJFWSA-N 302.374 3.316 0 40 DGAB CCCCN(CCO)C(=O)Nc1ccccc1Br 69415126 HVNOPJRIGRFVLS-UHFFFAOYSA-N 315.211 3.075 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1ccc2c(c1)OCCCO2 69421274 FSRMGRSZTUWDDM-UHFFFAOYSA-N 317.307 3.262 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c(C)o1 69454386 QVUZGCDTQIGFKO-MNOVXSKESA-N 318.421 3.368 0 40 DGAB O=C(Nc1ccnn1C1CCCC1)c1ccc(NC2CC2)nc1 69492842 YHCOYWYHIFBPCN-UHFFFAOYSA-N 311.389 3.220 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 69920090 YTTZYHUIXBROTM-OAHLLOKOSA-N 317.458 3.439 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C=CC4C=C[C@@H](C43)[C@H]21 71785632 QWWBXFAHVQNSFL-KIRHJRJHSA-N 302.009 3.337 0 40 DGAB O=C(CSC1=NCCS1)NC1(c2ccccc2)CCC1 71812738 SHHGSSHTFZESEZ-UHFFFAOYSA-N 306.456 3.018 0 40 DGAB C[C@@H](NC(=O)/C=C/c1cccnc1)c1nc2c(s1)CCCC2 71896305 GDRVSGBAHNSYNI-IDVQTMNDSA-N 313.426 3.308 0 40 DGAB CO[C@@H](C(=O)Nc1cnn(-c2ccccc2)c1)c1ccccc1 72040643 NNLUYZHXURSXCO-QGZVFWFLSA-N 307.353 3.199 0 40 DGAB Cc1ccc(F)c(NC(=O)N[C@@H](CCO)c2cccs2)c1 72294158 ALBUWEAXRGGLQK-LBPRGKRZSA-N 308.378 3.441 0 40 DGAB CNC(=O)Cc1nc(CN[C@@H]2CCCC[C@@H]2C(C)(C)C)cs1 72309161 VWBDLMMUWLIOSM-UONOGXRCSA-N 323.506 3.126 0 40 DGAB CCN(C(=O)Nc1ccccc1CS(C)(=O)=O)C1CCCC1 72314452 WTFWIQOJJGKTKZ-UHFFFAOYSA-N 324.446 3.028 0 40 DGAB Cc1ccc2c(c1)C(=O)C[C@@]1(C[C@H]3CC[C@@H]1N3C(=O)C(C)C)O2 72342952 JXZYYFPMWQQSMX-XVGQJIODSA-N 313.397 3.118 0 40 DGAB O=C(c1cncs1)N1CCC(c2cc3cccnc3[nH]2)CC1 72368395 OPEOIHRXYQGXGY-UHFFFAOYSA-N 312.398 3.039 0 40 DGAB Cc1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 72389888 DDCDEIOONSWKIP-QGZVFWFLSA-N 320.396 3.430 0 40 DGAB CC(C)(C)c1cnc(CNc2ccccc2CS(C)(=O)=O)o1 75093322 SCOFULKVZMVQEG-UHFFFAOYSA-N 322.430 3.129 0 40 DGAB C[C@H]1CCN(C(=O)COCC(F)(F)F)[C@@H]1c1cccc(F)c1 78972294 MAHFDIBRXKYZKK-HZMBPMFUSA-N 319.298 3.314 0 40 DGAB Cc1nc([C@@H](C)NC(=O)NCc2ncc(C(C)(C)C)o2)cs1 78973910 WAURIIVJKYEGJW-SECBINFHSA-N 322.434 3.297 0 40 DGAB O=C(NC[C@H]1C[C@@H]2C=C[C@H]1C2)c1cccc(Nc2ncccn2)c1 79482265 KZGNGTGNEWVFSB-IJEWVQPXSA-N 320.396 3.162 0 40 DGAB C[C@@H](c1ccccc1Cl)N1CCN(CCC(C)(C)O)CC1 81648520 VTWIWGFQCYNCEY-AWEZNQCLSA-N 310.869 3.180 0 40 DGAB Cc1noc(CNc2ccc(Cl)c(Br)c2)n1 88535357 DGHDSRPSAQZKFO-UHFFFAOYSA-N 302.559 3.406 0 40 DGAB COc1cc(F)cc(NC(=O)Nc2ccc([S@@](C)=O)cc2)c1 89423858 VHRGIWRCDZCVET-QFIPXVFZSA-N 322.361 3.216 0 40 DGAB O=C(c1cccc(-c2ccoc2)c1)N1CCN2CCCC[C@@H]2C1 89717825 JLTYSMAQUSVPLU-GOSISDBHSA-N 310.397 3.257 0 40 DGAB CC[C@H](COC)NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 89943602 GDKGTEWEQMGFPE-GOEBONIOSA-N 319.449 3.072 0 40 DGAB O=C(CNc1cccc(CO)c1)Nc1ccccc1C(F)(F)F 95351416 LNZHDRLBVTWQDA-UHFFFAOYSA-N 324.302 3.248 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCCO[C@@H]1CCOC1 95423734 RLGZRDYXYHHJKP-NVXWUHKLSA-N 317.429 3.218 0 40 DGAB CC[C@H](NC(=O)N[C@@H]1CCOC2(CCCC2)C1)c1ccncc1 95426967 VLNZHJSGIRIXFC-CVEARBPZSA-N 317.433 3.324 0 40 DGAB Fc1cc2nc(-c3cnc(-c4cnccn4)s3)[nH]c2cc1F 95442577 SOHATFISVHEZKS-UHFFFAOYSA-N 315.308 3.422 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)Nc2cnn(CC(C)C)c2)n1 95939141 NBQHXOJUSAWKRP-NSHDSACASA-N 321.450 3.229 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@@H]1C[C@@H]1c1cccc(F)c1 95947930 STRUGYIMLZEVCD-QBPKDAKJSA-N 314.360 3.463 0 40 DGAB O=C(NCc1ccc(Cl)s1)Nn1cnc2ccccc21 95950788 OTTLMYVVWVHFPL-UHFFFAOYSA-N 306.778 3.205 0 40 DGAB CC(C)CCN1CC[C@]2(CCCN(Cc3nccs3)C2)C1 96215832 QRUMDJVNZUFVSN-QGZVFWFLSA-N 307.507 3.477 0 40 DGAB CCc1noc(CN2CCC(Nc3cccc(C)c3)CC2)n1 96421212 FWKIKPUCODPFLH-UHFFFAOYSA-N 300.406 3.017 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCCc1nc(C(F)(F)F)cs1 96432810 SEEHCSNVAPVLFC-SECBINFHSA-N 304.337 3.177 0 40 DGAB Cc1nc2c(c(C(F)(F)F)n1)C[C@@H](c1nc(C3CC3)no1)CC2 96466579 RLCNENMSVXKFQY-VIFPVBQESA-N 324.306 3.337 0 40 DGAB C[C@H](NC[C@@H](C)CS(C)(=O)=O)c1cccc2ccccc12 96490752 ALHBPOGDAOMIGP-KGLIPLIRSA-N 305.443 3.171 0 40 DGAB Cc1cc(OCC(=O)N[C@H](C)C(C)C)ccc1Br 125518003 RWOQTJRNZYHPLI-LLVKDONJSA-N 314.223 3.297 0 40 DGAB OC1(c2nc(-c3ccc(Br)o3)no2)CCCCC1 125650738 IHWGTPUQTZXXSN-UHFFFAOYSA-N 313.151 3.244 0 40 DGAB Cc1cc([C@@H](C)NCC(=O)N[C@@H](C)c2cccs2)c(C)o1 183808031 ULELMASOQHJNJL-NEPJUHHUSA-N 306.431 3.486 0 40 DGAB COc1ccc(NC(=O)C23CC4CC(CC(C4)C2)C3)cc1N 193017414 NFYRGYYGOYXBCY-UHFFFAOYSA-N 300.402 3.432 0 40 DGAB O=C1NCCN1C(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206882272 HKXBQYHCUXFYSK-CYBMUJFWSA-N 321.808 3.055 0 40 DGAB S=C(NCc1cccnc1)Nc1ncc(Cl)cc1Cl 223936612 XUQTVDDNSDJCEL-UHFFFAOYSA-N 313.213 3.270 0 40 DGAB COCc1cc(C(=O)NCCC2=CCCCC2)ccc1OC 224393847 ZYTWOLUOIXBJCE-UHFFFAOYSA-N 303.402 3.462 0 40 DGAB COc1cccc(C2(F)CCN(C(=O)c3cc(C)no3)CC2)c1 225596997 CFJPKNYWDIKHMO-UHFFFAOYSA-N 318.348 3.093 0 40 DGAB Cc1cc(C)nc(Nc2ccccc2C(=O)N2CCCCC2)n1 225918168 SXEOPOHSBWBOLQ-UHFFFAOYSA-N 310.401 3.463 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc([C@H](C)O)cc2)c1 226273421 ZIWGNUNGJSAUCM-NSHDSACASA-N 301.342 3.009 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@@H](c2nccs2)C1 257210532 BVBIGNUDIGLLJV-CQSZACIVSA-N 316.426 3.318 0 40 DGAB CN(C)c1cccc(C(=O)NCc2ccc(-c3ccoc3)nc2)c1 390831058 PISDMBQHJLGKAA-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)NC1CCCCCCC1 408998683 NRMYVJDUZNTCTD-AWEZNQCLSA-N 318.417 3.393 0 40 DGAB CCOc1ccc(-c2noc(-c3cnn(C4CC4)c3)n2)cc1F 528185418 VMEFYQVCUIWBNT-UHFFFAOYSA-N 314.320 3.473 0 40 DGAB O=C(Nc1cccs1)N1CC[C@H](Oc2ccncc2Cl)C1 575607684 VTGFFSLVIUYDQI-JTQLQIEISA-N 323.805 3.482 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 579623198 BWQIHPWTHJYRPZ-ZBFHGGJFSA-N 315.344 3.244 0 40 DGAB Cc1nc(CNC2(c3cccc(OC(F)(F)F)c3)CC2)no1 585090831 QEEHDHIZBMLRJS-UHFFFAOYSA-N 313.279 3.056 0 40 DGAB Cc1ccc(O)cc1C(=O)N[C@H]1CCOC2(CCCCC2)C1 585135367 FMMLQMDOROOISY-AWEZNQCLSA-N 303.402 3.312 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@H]1C[C@@H]1[N+](=O)[O-] 47242348 LLSQNJOAJVFYEM-QWRGUYRKSA-N 313.338 3.053 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)NOCc3ccccc3)c12 8987406 IBEKKCVPVIDGBI-UHFFFAOYSA-N 323.352 3.270 0 40 DGAB CCCC[C@@H]1c2[nH]c3ccccc3c2C[C@@H](C(=O)O)N1C(C)=O 3173783 SCCFPAMTAIFDLY-CVEARBPZSA-N 314.385 3.257 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2cccnc2)c1C 12522624 KBTWDBCTPWWSOC-OAHLLOKOSA-N 311.385 3.206 0 40 DGAB O=C(c1ccccn1)N(Cc1ccccn1)c1ccc(F)cc1 79140397 STZJHGSWJJWJQR-UHFFFAOYSA-N 307.328 3.463 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1nccs1)c1ccccc1Cl 42753418 DRVBTXSLKMSNEK-LBPRGKRZSA-N 324.837 3.221 0 40 DGAB Cc1cccc(C(=O)O)c1C[C@H]1NCC[C@H]2c3ccccc3N[C@H]21 4830732 JZMNBICLWOBJHN-GDIGMMSISA-N 322.408 3.176 0 40 DGAB in-vitro O=C(Nc1cccc2ccccc12)c1ccnc(-n2cnnc2)c1 4975408 HFTPGBJJGXRADO-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB O=C(COc1cccc(C(=O)O)c1)Nc1ccc(Cl)cc1 6471696 UJNWUARVTCHUTG-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1n[nH]c(=S)n1NCc1ccc(-c2ccc(F)cc2)o1 7602152 JOLIXAROGVUYOI-UHFFFAOYSA-N 304.350 3.392 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@H](C)CC(C)C 55191323 GJCVHSJLQVBHAG-LLVKDONJSA-N 318.446 3.415 0 40 DGAB CN(C)c1ccc(C(=O)OCc2cnn(-c3ccccc3)c2)cc1 12515464 MCXBCZOHSAQOQJ-UHFFFAOYSA-N 321.380 3.295 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)N1CCN(c2ccccc2)CC1 12562712 TVJURPRIYLJCOM-RDJZCZTQSA-N 301.434 3.097 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)c2scnc2C)c1 55277614 CQKVMKIRJDFDGV-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB C[C@@H]1Oc2ccc(Nc3ncnc4sccc34)cc2NC1=O 9117833 VRWSJMOMFVIZBU-QMMMGPOBSA-N 312.354 3.154 0 40 DGAB O=C(NCCCn1ccc2ccccc21)c1ccc2[nH]cnc2c1 12627787 CSSZFMXXNCEEPT-UHFFFAOYSA-N 318.380 3.338 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)c2csc3c2CCCC3)no1 72299004 AYBVIQJUIXDHIF-CYBMUJFWSA-N 317.414 3.296 0 40 DGAB CCCCS[C@H](C)C(=O)Nc1sc(C)cc1C(N)=O 72285442 UMRUEVKQSVSYIM-SECBINFHSA-N 300.449 3.016 0 40 DGAB C[C@H]1C[C@@H](C)CN([C@@H](C)C(=O)NCc2ccc(Cl)cc2)C1 58271518 JMBFJQPPFXDILQ-MJBXVCDLSA-N 308.853 3.323 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@@H]2COc3ccccc3O2)c(C)c1 12760908 KICKXGCSBIPULH-OAGJVSPASA-N 323.392 3.273 0 40 DGAB O=C(c1ccccc1Sc1ccccc1)N1CCC(O)CC1 72297117 OMFLAEVWXOROHU-UHFFFAOYSA-N 313.422 3.435 0 40 DGAB C[C@@]12CCC[C@H]1[C@@H]1CC(=O)[C@@]3(O)C[C@@H](O)CC[C@]3(C)[C@H]1CC2 118913924 OWZBXHMGYRJJON-DAQGBAQMSA-N 306.446 3.074 0 40 DGAB biogenic,in-vitro COc1ccc(OC)c([C@H](C)NC(=O)CSC(C)(C)C)c1 28018313 BZCYWQUGXUZIKX-NSHDSACASA-N 311.447 3.413 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1F 36398862 WIBGGXPOEJMHJY-UHFFFAOYSA-N 315.348 3.082 0 40 DGAB O=C(NCc1ccc(O)cc1)N1CCC[C@@H]1Cc1ccccc1 45526967 TVFGZDJMPYZJGM-QGZVFWFLSA-N 310.397 3.309 0 40 DGAB O=C(O)CN(CCc1ccccc1)C(=O)c1ccccc1Cl 178143868 MTRLNUVEOYULBM-UHFFFAOYSA-N 317.772 3.110 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccc(F)cc1 2705759 XYIZWKCJWJBZGM-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CCOc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)noc2C)cc1 3565022 WHABMBKHXVMYEX-GFCCVEGCSA-N 317.341 3.118 0 40 DGAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(F)cc(F)c1 13024138 LOSKVCNQIDPBFQ-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB COc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)cc1 13009784 ZEFLQQSPBHWCFT-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB C[C@H](c1cnn(C)c1)N(C)C(=O)c1ccc(F)c(Cl)c1F 97137713 ZPCGLXRBCKBGTM-MRVPVSSYSA-N 313.735 3.185 0 40 DGAB O=C(O)C[C@@H](NC(=O)/C=C/c1ccccc1F)c1cccs1 13388078 WQOPBENYWXMVLE-SBDDDAINSA-N 319.357 3.233 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@@H]2c1cccc2cccnc12 71281822 APMNOZSKAJAPEC-CYBMUJFWSA-N 322.368 3.429 0 40 DGAB c1ccc2c(OCCSc3nc4ncccn4n3)cccc2c1 64927516 ROYTWZCWGMOVCQ-UHFFFAOYSA-N 322.393 3.449 0 40 DGAB COc1ccc(F)cc1COC(=O)c1n[nH]c2ccccc12 6370714 BHCFKFLXLPUACF-UHFFFAOYSA-N 300.289 3.068 0 40 DGAB C[C@@H](NC[C@H](O)COc1ccccc1Cl)c1ccccc1 6455707 ZYFHGZJQRRTHOF-HIFRSBDPSA-N 305.805 3.431 0 40 DGAB CN(C(=O)COC(=O)c1cc(F)ccc1Cl)c1ccccc1 72330124 CLGZBGBMASNDMQ-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB Cc1cc([C@H](C)NC(=O)c2cccc3c2OCCO3)c(C)o1 67077532 NZTIDDIRDWBCRO-NSHDSACASA-N 301.342 3.159 0 40 DGAB Cc1cc(N2CCC(C(N)=O)CC2)nc2c(C(C)C)cccc12 5938332 VJQIGQPVNQXKKT-UHFFFAOYSA-N 311.429 3.368 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@H]1CCSc2ccccc21 15329308 QTTGMZQKBDYHQJ-HNNXBMFYSA-N 319.451 3.343 0 40 DGAB O=C(c1c[nH]c2ccccc12)N1CCN(c2ccc(F)cc2)CC1 7130961 NICOCIANINNLHV-UHFFFAOYSA-N 323.371 3.269 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1cccc(C(F)(F)F)c1 408567897 QGCSBFMWKDVNKP-UHFFFAOYSA-N 310.275 3.320 0 40 DGAB COc1cccc(CNC2CCN(C(=O)OC(C)(C)C)CC2)c1 67800563 BIFDRMKMOMFVCU-UHFFFAOYSA-N 320.433 3.184 0 40 DGAB COCc1cccc(C(=O)N2CCN(C)c3cc(F)ccc32)c1 96432419 CQIZZWKOMGADIZ-UHFFFAOYSA-N 314.360 3.069 0 40 DGAB CCN(CCNC(=O)c1cccc(C)c1C)C(=O)OC(C)(C)C 69420060 TUQKTHPXIJUGOL-UHFFFAOYSA-N 320.433 3.290 0 40 DGAB COc1ccc(C(=O)Nc2cc(C(C)(C)C)ccc2O)cn1 17361149 AOINJGZARSFWHL-UHFFFAOYSA-N 300.358 3.346 0 40 DGAB Cc1nccn1CCCC(=O)N1CC[C@@H](c2cccc(F)c2)C1 69918345 RWDFNYZNNVOSAF-MRXNPFEDSA-N 315.392 3.127 0 40 DGAB Cc1nc2ccc(NC(=O)c3c(C)cc(=O)oc3C)cc2s1 8755536 NSRNTSKPTQEXKD-UHFFFAOYSA-N 314.366 3.427 0 40 DGAB C[C@@](CO)(NC(=O)Nc1cc(-c2ccco2)ccc1F)C1CC1 84640186 WHLMCQVZYDPMQV-KRWDZBQOSA-N 318.348 3.368 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)Oc1ccccc1F 70738753 HQAGRQYVEZPZLH-LBPRGKRZSA-N 309.337 3.131 0 40 DGAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccncc1 27920810 ZHWBDIGNWPVYDP-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB Cc1cc(CN2CCN(CC3CCC(C)(C)CC3)CC2)on1 95453932 JMPWOUVWQXKZEX-UHFFFAOYSA-N 305.466 3.317 0 40 DGAB CCS[C@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)s2)C1 95961901 XKMKDQCSNLPPDI-RYUDHWBXSA-N 319.517 3.351 0 40 DGAB Cc1csc(-c2cccc(NC(=O)Nc3cnn(C)c3)c2)n1 75126923 HMANJWBNINHRGH-UHFFFAOYSA-N 313.386 3.496 0 40 DGAB Cc1ccc2cc(C(=O)N(CCO)Cc3ccccc3)[nH]c2c1 75553694 AUEJEBFALIEPKU-UHFFFAOYSA-N 308.381 3.111 0 40 DGAB Cc1cc(C)cc(COC(=O)c2ccc(-n3cncn3)cc2)c1 25443293 FSLAVVNTJJHLQJ-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB COc1ccccc1O[C@H](C)CNC(=O)[C@@]1(C)C[C@@H]2C[C@@H]2C1 551527374 LXQZTTRDQJVVIV-ZUMXRPEOSA-N 303.402 3.015 0 40 DGAB Cc1cncnc1-c1noc([C@@H]2C[C@H]2c2ccc(F)cc2F)n1 558334910 BITLXPQTHROHNX-NWDGAFQWSA-N 314.295 3.384 0 40 DGAB Cc1nc(Cc2nn3c(-c4cccs4)nnc3s2)cs1 36353619 NPUVREXJSHPYRM-UHFFFAOYSA-N 319.440 3.270 0 40 DGAB O=C(N[C@H]1CC2(CCCCC2)Oc2ccccc21)c1cncnc1 72346617 XMEZISIKWSYTKH-INIZCTEOSA-N 323.396 3.433 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1 78403831 PCUVZXCGOLPNRR-GFCCVEGCSA-N 302.399 3.152 0 40 DGAB Cc1cc(C(=O)NCc2ccc(Cl)cc2)c2c(C)noc2n1 36358854 OGQPIESXDVHFJP-UHFFFAOYSA-N 315.760 3.423 0 40 DGAB C[C@@H](c1nccs1)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 72203942 HVCIVELHPPBFAB-RYUDHWBXSA-N 311.451 3.193 0 40 DGAB Cc1noc(Cl)c1CC(=O)N(C)[C@@H]1CCc2ccccc2C1 79311034 VRJZIEPEHFSZHO-CQSZACIVSA-N 318.804 3.195 0 40 DGAB CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)(C)C)c1 222733475 MBEDRCQXNOKEBM-LSDHHAIUSA-N 314.458 3.240 0 40 DGAB CCOc1ccccc1C[C@H](Oc1cccc(OC)c1)C(=O)O 225104908 IEEBCDUTEGSTTP-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB CN(C[C@H]1Cc2ccccc2CO1)C(=O)NCc1cccs1 225789881 UKVSIKMRHNMDMM-OAHLLOKOSA-N 316.426 3.031 0 40 DGAB COc1ccc(OC[C@@H](C)NC(=O)NC2CCCCC2)cc1 225754190 QBPGBJLSMHFEOF-CYBMUJFWSA-N 306.406 3.094 0 40 DGAB BrC1(Br)[C@H]2[C@H]3[C@H]4C[C@H]2[C@H]2[C@@H]4C[C@@H]3[C@H]21 195529080 OLRUHJPVOOXZIZ-VJVZXHFHSA-N 304.025 3.250 0 40 DGAB Nc1cc(CN2CC[C@H](Cc3ccc(F)c(F)c3)C2)ccn1 225616356 KPXDBTVTHIKKIT-CQSZACIVSA-N 303.356 3.007 0 40 DGAB O=C(NCc1ncccc1F)c1c(O)cc(Cl)cc1Cl 96483792 GASZBOOFYHHRAT-UHFFFAOYSA-N 315.131 3.163 0 40 DGAB COC[C@@H]1COCCC12CCN(Cc1ccccc1F)CC2 96106314 QWQSPCGYEGBALI-MRXNPFEDSA-N 307.409 3.091 0 40 DGAB C[C@H](Cc1ccc(F)cc1)NC[C@@H]1CCN(CC(F)(F)F)C1 95420499 WNNDRCJAHWBGGP-OCCSQVGLSA-N 318.358 3.231 0 40 DGAB CC[C@H](C)N1CCc2nc(NC(C)C)nc(NC3CC3)c2C1 96254188 CXDBEVBUMKMSCT-LBPRGKRZSA-N 303.454 3.028 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2ccc(-c3ccccc3)n2C)o1 96442089 UFYLGYRBFNSGQM-NSHDSACASA-N 311.341 3.302 0 40 DGAB CSc1ccc(/C=C/C(=O)NC[C@](C)(O)c2ccco2)cc1 81836355 LTCYCELCUBDIKP-JEJOPICUSA-N 317.410 3.039 0 40 DGAB Cc1ccc2sc(C(=O)N3CCC[C@H]4COC[C@H]43)cc2c1 585084985 DVGFHWJXAWLKAH-GXTWGEPZSA-N 301.411 3.461 0 40 DGAB CC(C)[C@@H](NCc1cc2c(O)cccc2s1)c1nncn1C 585136104 QFONYQOHDJCRLQ-OAHLLOKOSA-N 316.430 3.222 0 40 DGAB Cc1nc2sccn2c1CN1CCCC[C@@H]1c1ccn[nH]1 257217850 DAWMDPRPCGVOOR-CYBMUJFWSA-N 301.419 3.155 0 40 DGAB c1cnc2c(CN3CCC(c4cnccn4)CC3)cccc2c1 257325305 WSIPZWDOIAJXCT-UHFFFAOYSA-N 304.397 3.404 0 40 DGAB COc1ccc(Cc2nc(-c3ccnn3C)cs2)cc1OC 585090713 YATQJFRXHBYPMU-UHFFFAOYSA-N 315.398 3.152 0 40 DGAB O=C(Nc1cc(F)ccc1SCC(F)F)[C@@H]1CCOC1 72291401 AKWXSBIGLBWZLH-MRVPVSSYSA-N 305.321 3.158 0 40 DGAB NC(=O)c1ccc(NC(=O)C2=C(Cl)CCCC2)cc1Cl 46241767 ZKCCSDDQYNKDQM-UHFFFAOYSA-N 313.184 3.444 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)N[C@@H](C)C(C)C 47686005 YYWGBMGUOOLKHZ-HNNXBMFYSA-N 305.466 3.372 0 40 DGAB CC=C1C[C@@H]2CC[C@H](C1)N2c1ccc2nnc(C(F)(F)F)n2n1 1775995802 JMNXYEMXXAODES-PHIMTYICSA-N 323.322 3.221 0 40 DGAB Cc1c(-c2ccccc2)nc(SC[C@H]2CCCCO2)[nH]c1=O 97148299 BGNQCVVHMAGPKR-CQSZACIVSA-N 316.426 3.407 0 40 DGAB COc1cccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)c1OC 177218 ORAAYZMUFBSGOG-RVDMUPIBSA-N 323.348 3.357 0 40 DGAB Cc1sc(-n2cccc2)nc1C(=O)NCCCc1ccco1 11866071 ADNXJNLKULDDLB-UHFFFAOYSA-N 315.398 3.198 0 40 DGAB c1cc(-c2cnc(N3CCSCC3)nc2-c2ccoc2)ccn1 12667918 JMZMWMGPBXWHDF-UHFFFAOYSA-N 324.409 3.352 0 40 DGAB O=C(COc1ccccc1)OCc1cc(-c2ccccc2)on1 12725419 BIBVWEDFSUDXAH-UHFFFAOYSA-N 309.321 3.464 0 40 DGAB CC1CCN(CCCNC(=O)CCCOc2ccccc2)CC1 13674198 QNMAEZOTZVNOOS-UHFFFAOYSA-N 318.461 3.084 0 40 DGAB COC(=O)[C@H]1[C@@H](c2ccccc2)[C@H](c2ccccc2)[C@H]1C(=O)OC 16952543 YAQLZIKGHVLJJZ-XLAORIBOSA-N 324.376 3.146 0 40 DGAB C[C@H]1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)C[C@@H](C)O1 19497544 OGNCMPWFHKCOSE-BETUJISGSA-N 311.385 3.432 0 40 DGAB CC(C)(C)[C@@H](O)Cn1c(=N)n(Cc2ccccc2)c2ccccc21 19771450 XAIYXEPUHDXXQO-SFHVURJKSA-N 323.440 3.378 0 40 DGAB O=C(C1CC1)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 4583440 UJTRNULREPARDW-UHFFFAOYSA-N 321.833 3.008 0 40 DGAB O=C(Nc1cnc(CC2CC2)nc1)c1cc(F)ccc1Cl 520778875 YEQQNVJNWDPEGQ-UHFFFAOYSA-N 305.740 3.474 0 40 DGAB CC(C)N1CCC[C@@H](c2ccnc(Nc3nccs3)n2)C1 643550638 LKHTZLDSMLYHRF-GFCCVEGCSA-N 303.435 3.265 0 40 DGAB COCCn1cnc2c(Nc3ccc(Cl)c(C)c3)ncnc21 1888913854 XUIXYANNENBMLO-UHFFFAOYSA-N 317.780 3.178 0 40 DGAB O[C@@H](CNc1ncc(Cl)cn1)c1csc2ccccc12 1775970498 ONTQHTKPEVFVKL-LBPRGKRZSA-N 305.790 3.490 0 40 DGAB Cc1cccc(CC(=O)NC[C@@H](c2cccs2)N(C)C)c1 23105572 KUWCOKQHAPZWFN-HNNXBMFYSA-N 302.443 3.018 0 40 DGAB Cc1ccsc1CCC(=O)NC[C@H]1COc2ccccc21 585149999 KJJAEKQJXGLVBQ-ZDUSSCGKSA-N 301.411 3.282 0 40 DGAB Cc1ccc(-n2nc3cc(N)c(Br)cc3n2)cc1 6503675 BTRQWVQVVSCKLE-UHFFFAOYSA-N 303.163 3.074 0 40 DGAB Cc1ccc(N2C[C@@H](c3noc(-c4ccco4)n3)CC2=O)cc1 107218688 HKJGVZFSHDGTDA-LBPRGKRZSA-N 309.325 3.159 0 40 DGAB COc1ccccc1CNS(=O)(=O)c1c(C)cc(C)cc1C 29443 PRFUHFMKTNCRRP-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB Cc1cc(C(=O)NCCC(C)C)c2nc3n(c2n1)CCCCC3 32908060 YBLPCAZJIOHUJH-UHFFFAOYSA-N 314.433 3.242 0 40 DGAB COc1ccc(CN2C(=O)CC(c3ccccc3)CC2=O)cc1 32985350 COKBRNUSRXFEPZ-UHFFFAOYSA-N 309.365 3.128 0 40 DGAB O=C(c1cc2c(F)cccc2s1)N1CCO[C@@H]2CCC[C@@H]21 53380526 PACBPVCFRSNFOX-QWHCGFSZSA-N 305.374 3.434 0 40 DGAB CC(C)N(Cc1ccccc1)C(=O)[C@@H]1Cc2ccccc2C(=O)O1 22323279 RWDXAWOUQBZGRH-SFHVURJKSA-N 323.392 3.205 0 40 DGAB COc1ccccc1NC(=O)NC1CC(C)(C)NC(C)(C)C1 22474531 SDCIZXPCNGWNJR-UHFFFAOYSA-N 305.422 3.126 0 40 DGAB CCCCNC(=O)COC(=O)c1cc(Cl)ccc1Cl 3319345 LRMZJVXWIZKIJQ-UHFFFAOYSA-N 304.173 3.067 0 40 DGAB O=C(COC(=O)c1ccc2ccccc2c1)NCc1ccccc1 3389481 QKQJGOPMZOIQTK-UHFFFAOYSA-N 319.360 3.313 0 40 DGAB COc1ccccc1OCCNc1ncnc2sccc12 3406903 QIKCMZHHMUUGGB-UHFFFAOYSA-N 301.371 3.191 0 40 DGAB Cc1cc(C(=O)NCCCn2nc(C)cc2C)c2ccccc2n1 3444859 SCXUIQNTWYCJOC-UHFFFAOYSA-N 322.412 3.177 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 3512283 ZFILISXOIMMOIU-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB COc1ccc(OCC(=O)N[C@H](C)c2ccc(F)cc2)cc1 3606641 IMSYRJLNTAHAFG-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB CCOc1ccc2[nH]c(=O)c(CNC3CCCCC3)cc2c1 4130505 LJBXJEWETWAFFF-UHFFFAOYSA-N 300.402 3.349 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3ccccc3)o2)cc1 4276168 HZXZAVCDTGLIGG-UHFFFAOYSA-N 307.309 3.192 0 40 DGAB COc1ccccc1C(=O)Nc1ccccc1C(=O)NC(C)C 4689024 GASATZOGIKLDNX-UHFFFAOYSA-N 312.369 3.086 0 40 DGAB Cc1oc(-c2cc(Cl)ccc2Cl)cc1C(=O)NCCO 5033249 NWNMVXQULWCGNA-UHFFFAOYSA-N 314.168 3.284 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)CN3CCCC3=O)cc2)c1 8303435 BWDXWDIRMRINDB-UHFFFAOYSA-N 324.380 3.348 0 40 DGAB CCc1c(C(=O)Nc2ccccc2C)nnn1-c1ccccc1 8715271 YRKUNXIMNHOPHF-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB CCc1nnc(SCCCOc2ccc(C=O)cc2)n1CC 8731754 XSYGVASXIOCVOF-UHFFFAOYSA-N 319.430 3.234 0 40 DGAB CONC(=O)c1cc(-c2ccc(OC)cc2)nc2ccccc12 8919886 TZIKBUPKYNNXGD-UHFFFAOYSA-N 308.337 3.202 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccco2)N2CCCC2)c(C)o1 9337771 PZHNQBWXKGVSRF-HNNXBMFYSA-N 302.374 3.056 0 40 DGAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccccc1F 9495833 BVDBFZXYMXHYBW-UHFFFAOYSA-N 305.280 3.185 0 40 DGAB CC(C)n1ncc2cc(NC(=O)[C@H]3CC3(Cl)Cl)cnc21 9690091 PHDNZHWCSDTFNS-SNVBAGLBSA-N 313.188 3.145 0 40 DGAB COc1cc(NC(=O)CC2(C(=O)O)CCCCC2)cc(OC)c1 12686051 UAKKZDQKQUPBMX-UHFFFAOYSA-N 321.373 3.068 0 40 DGAB CCc1nnsc1C(=O)Nc1cccc(OC(F)(F)F)c1 12930405 VFLSUJGPTOHEKK-UHFFFAOYSA-N 317.292 3.251 0 40 DGAB O=C(/C=C/c1cccs1)NCc1ccc(Cn2cccn2)cc1 12933230 YGUMZVZPBSFRDQ-CMDGGOBGSA-N 323.421 3.323 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)NCCCC2CCCC2)cc1 12979172 REZJBWMOHKATLO-UHFFFAOYSA-N 309.431 3.138 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2cccc(F)c2)c1C 13141407 JXOUWPGOZVCKOP-UHFFFAOYSA-N 319.332 3.209 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1ccc(F)c(F)c1 14201502 JYBSVNAZERJIHM-UHFFFAOYSA-N 319.307 3.307 0 40 DGAB CC[C@H](NC(=O)c1cnccn1)c1ccc(Br)cc1 17825442 CFONWRCAXQHTGM-LBPRGKRZSA-N 320.190 3.120 0 40 DGAB CCOc1ccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)cc1 19910632 COKQNTKNHUNTFJ-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB Cc1ccc(OCc2cc(=O)n3c(C)csc3n2)cc1C 21368871 GKFLOOAZFJQMIY-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2cc(Cl)c[nH]2)c1 24030648 CFCXRGOCNPSJIE-UHFFFAOYSA-N 319.792 3.402 0 40 DGAB CC(C)CCN(CN1C(=O)NC2(CCCCCC2)C1=O)C1CC1 26626050 NGNKOPCOKDBCDN-UHFFFAOYSA-N 321.465 3.099 0 40 DGAB COC(=O)C(=O)c1c[nH]c2cc(OCc3ccccc3)ccc12 26898875 MIZNLOQJTYKTDH-UHFFFAOYSA-N 309.321 3.103 0 40 DGAB Cc1cc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)n(C2CCCC2)n1 32508847 UVABWQCNNNMKQR-KBPBESRZSA-N 319.405 3.136 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)CCCc1ccccc1 36397839 PSEUORVSTAGMIS-UHFFFAOYSA-N 310.441 3.387 0 40 DGAB O=C(O)c1[nH]nc(-c2cccc(Cl)c2)c1Br 38478093 GFAYBEBCABHUAP-UHFFFAOYSA-N 301.527 3.191 0 40 DGAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1ccc(F)c(Cl)c1 38671082 MQXRSSNAVBKJSA-VIFPVBQESA-N 321.739 3.260 0 40 DGAB Cc1cc2ccccc2n1CC(=O)NCCCOCC(C)C 39995715 XQVRJEBDDKJMON-UHFFFAOYSA-N 302.418 3.129 0 40 DGAB CCN(C(=O)CN(C)Cc1cnc(C)s1)c1ccccc1C 40554270 SVAQGPOARHEDPJ-UHFFFAOYSA-N 317.458 3.245 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2cccnc2-n2ccnc2)C1(C)C 44912246 MPRIDYHJPFMAAN-HZPDHXFCSA-N 324.428 3.122 0 40 DGAB O=C(Nc1ccc(Cl)c(F)c1)[C@@H]1CCCN(C(=O)C2CC2)C1 49244253 WISQRGIFTGAMCC-LLVKDONJSA-N 324.783 3.066 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N[C@H](C)Cc3cc(C)n[nH]3)cc2c1 55282448 RXQYQEDSVNQXQR-GFCCVEGCSA-N 322.412 3.244 0 40 DGAB Cc1cc(C)c(-c2cc(NC(=O)c3cnccn3)[nH]n2)cc1C 58160345 WMYXMPCEWPXGSD-UHFFFAOYSA-N 307.357 3.044 0 40 DGAB Cc1c([C@@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cnn1C 58245061 RFQOVKPPSLCBJC-ZYHUDNBSSA-N 321.808 3.027 0 40 DGAB O=C(N[C@H]1CCN(C2CCCCCC2)C1)c1cc(F)ccc1F 60359546 FKCBHFKWZVAHJQ-AWEZNQCLSA-N 322.399 3.492 0 40 DGAB C[C@@H](Oc1ccc(F)c(F)c1)C(=O)OCCCc1ccncc1 62676951 BTUOVLUUTTYRDR-GFCCVEGCSA-N 321.323 3.303 0 40 DGAB Nc1cccc(-c2nc(CCNc3ccc(Cl)cc3)n[nH]2)c1 62719072 DQJBMNKWCRSOBQ-UHFFFAOYSA-N 313.792 3.362 0 40 DGAB COc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1Cl 65514759 IPXVMDLPKCSOCH-NWDGAFQWSA-N 302.761 3.486 0 40 DGAB O=c1onc(-c2ccccc2)n1CCCOc1ccc(F)cc1 65723034 FXABKZHUURINIV-UHFFFAOYSA-N 314.316 3.112 0 40 DGAB O=C(NC1CCCC1)N1CCCC[C@H]1c1nc(C2CC2)no1 67350600 LOQDBSODBVEEFL-ZDUSSCGKSA-N 304.394 3.126 0 40 DGAB Cc1nnc([C@H](C)N2CCN(Cc3ccccc3)C(C)(C)C2)o1 69698856 ZROLJIHPUMLDMN-AWEZNQCLSA-N 314.433 3.035 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)Cc1c[nH]c2cc(F)ccc12 69774584 DUPGQXJZBLAAIN-LBPRGKRZSA-N 311.360 3.464 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1cccc(C(F)(F)F)n1 69778400 SCMKGJLSPPWFEE-ZETCQYMHSA-N 313.279 3.447 0 40 DGAB Cc1cc(CNS(=O)(=O)c2cccc(Cl)c2C)c(C)o1 70640427 DZLLMAFXYWPVIK-UHFFFAOYSA-N 313.806 3.337 0 40 DGAB CCn1nc(C)c(C(=O)Nc2nc(C)c(SC)s2)c1C 71882741 RYLWCAPLCQEGGE-UHFFFAOYSA-N 310.448 3.259 0 40 DGAB COc1cc(C(=O)Nc2cc(C)n[nH]2)ccc1OCCC(C)C 71962676 WEXLTKJUIMEGTJ-UHFFFAOYSA-N 317.389 3.404 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)C3=COCCC3)C2)n1 72282112 JLNUBJGRRZUKLK-GFCCVEGCSA-N 306.431 3.106 0 40 DGAB Cc1cc(N(C)C)nc([C@]2(C)CCCN2C(=O)c2ccccc2)n1 72388411 PBGPANWLGYLRIE-IBGZPJMESA-N 324.428 3.002 0 40 DGAB C[C@H](NC(=O)CCc1ccncc1)c1cccc(-n2cccn2)c1 74037620 ZGRUQJUFSZSNGM-HNNXBMFYSA-N 320.396 3.077 0 40 DGAB CON(C)C(=O)CSc1nccn1-c1ccc(C(C)C)cc1 74288783 ZDTZWJQGAINPPG-UHFFFAOYSA-N 319.430 3.108 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1cccc(C)c1 79106263 MXLAJXPSFRDJAC-KRWDZBQOSA-N 322.364 3.421 0 40 DGAB CCc1nnsc1C(=O)N(c1ccc(OC)c(F)c1)C(C)C 79338280 UKPLKFFPWCHQAL-UHFFFAOYSA-N 323.393 3.303 0 40 DGAB CNc1cc(C(=O)NC23CC4CC(CC(C4)C2)C3)cc(Cl)n1 83884216 UCDALEHZOQXLJR-UHFFFAOYSA-N 319.836 3.475 0 40 DGAB C[C@@H](C(=O)Nc1cccc2[nH]cnc12)n1cnc2ccccc21 84070340 FEPARDHNIHAWSZ-NSHDSACASA-N 305.341 3.112 0 40 DGAB CC1(C)[C@H]2CC=C(COC(=O)c3c[nH]c(=O)c(Cl)c3)[C@@H]1C2 84673968 QFXDJDDNWGDHJY-RYUDHWBXSA-N 307.777 3.178 0 40 DGAB CC(C)C[C@H](C)OCCC(=O)Nc1cccc(-n2cnnc2)c1 87098457 ZSQHOAMQKVBOCD-AWEZNQCLSA-N 316.405 3.047 0 40 DGAB COC(=O)c1csc(NC(=O)N(C)Cc2ccoc2C)c1 89540696 FWVGTGGCSBVLGM-UHFFFAOYSA-N 308.359 3.100 0 40 DGAB CC(C)c1csc(C(=O)N2CCN(C)c3ccccc32)n1 95394810 LIOKBJGBJKUTGF-UHFFFAOYSA-N 301.415 3.363 0 40 DGAB c1ccc(-c2nnc(Sc3ccc4nccnc4n3)o2)cc1 95395423 UFTZGHTZWQANPK-UHFFFAOYSA-N 307.338 3.226 0 40 DGAB C[C@@H](CO)N(C)C(=O)Nc1cccc(C2SCCS2)c1 95454879 CDWRMERBDOXGBW-JTQLQIEISA-N 312.460 3.010 0 40 DGAB O=C1C[C@@H]2[C@H](CCN2Cc2ccsc2)N1c1ccsc1 96055726 GMHWPHVOPDPUIX-UONOGXRCSA-N 304.440 3.189 0 40 DGAB Cc1cccc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)n1 96192502 UMMHWBQFSRGGOB-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB C/C(=C\C(=O)NCc1cc[nH]n1)c1ccc(C(F)(F)F)cc1 96314808 TVQPSNFZHBZYQU-CSKARUKUSA-N 309.291 3.148 0 40 DGAB Cc1ncc(CN(C)C(=O)[C@@H]2SCCc3ccccc32)s1 96430634 WZTOGYFKDMAXHT-OAHLLOKOSA-N 318.467 3.441 0 40 DGAB Cc1ccc(O[C@H](C)CNC(=O)N[C@@H](C)c2nccs2)cc1 96439962 XPZBGXPUKLBULA-OLZOCXBDSA-N 319.430 3.279 0 40 DGAB O=S(=O)(Cc1cccc(F)c1)Nc1nc(C2CC2)cs1 96462637 MKTALRUCWPXRMX-UHFFFAOYSA-N 312.391 3.102 0 40 DGAB C[C@H](CNC(=O)CCc1ccc(C(=O)O)cc1)c1ccsc1 97017804 GMOLPCGKOSLSMU-GFCCVEGCSA-N 317.410 3.299 0 40 DGAB O=C1CCCCN1CC(=O)N1CCC[C@@H]1c1ccccc1Cl 97017994 FUNWQLSZNQOPPM-OAHLLOKOSA-N 320.820 3.016 0 40 DGAB COc1ccc(NC(=O)Cc2cccnc2)cc1OC(C)C 97138124 CNJLIMBZSSPLKL-UHFFFAOYSA-N 300.358 3.059 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)C2[C@H]3CCCC[C@H]23)c1C 101401322 DGVBVADLYPLAGZ-GJZGRUSLSA-N 314.429 3.137 0 40 DGAB Cc1ccc(C)c(CC(=O)Nc2cccc(N3CCOCC3)c2)c1 102727852 PZBBPRFYDXSGMC-UHFFFAOYSA-N 324.424 3.321 0 40 DGAB CS[C@@H]1CCC[C@@H]1NC(=O)N[C@H](C)C[C@H](O)c1ccccc1 108104318 NYFSFBTVCITFPT-SYAUCNOPSA-N 322.474 3.082 0 40 DGAB C[C@H]1CCN(Cc2cnc3ccc(Br)cn23)[C@H]1C 108370254 BCTBNTYTPHDQTE-QWRGUYRKSA-N 308.223 3.327 0 40 DGAB C[C@H]1C(=O)OCN1C(=O)OCC1c2ccccc2-c2ccccc21 137884052 UTHZTGJPRFPRON-LBPRGKRZSA-N 323.348 3.140 0 40 DGAB COc1cc(CN2CC[C@]3(C2)OCc2ccccc23)ccc1O 194995356 STVOUIPZPJCIQQ-LJQANCHMSA-N 311.381 3.032 0 40 DGAB COC(=O)/C=C/c1ccc(OC(=O)c2ccc(OC)cc2)cc1 202555070 NWWKBPPPGDEDJF-LFYBBSHMSA-N 312.321 3.101 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224427795 BTJIZGQBVBLJIN-CABCVRRESA-N 313.397 3.382 0 40 DGAB CSc1nnc(NC(=O)Cc2ccc(Cl)cc2F)s1 224761764 ULACODNXCJKPBU-UHFFFAOYSA-N 317.798 3.234 0 40 DGAB Cn1ccnc1[C@H]1CCCN(CCCCC2CCOCC2)C1 225629305 CWOHKISUZQCHHM-KRWDZBQOSA-N 305.466 3.196 0 40 DGAB O=C(Cn1ccc(=O)c2ccc(Cl)cc21)NC1CCCCC1 225732344 PSBRIHHRQUZIEE-UHFFFAOYSA-N 318.804 3.104 0 40 DGAB COc1cc(/C=C/C(N)=O)cc(Cl)c1OCc1ccccc1 226335122 SJWRWFATEFEYBR-BQYQJAHWSA-N 317.772 3.426 0 40 DGAB COc1ccc(-n2cnc(C(=O)Nc3cccc(OC)c3)c2)cc1 226753373 MRVXNQCDAYGTCQ-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCOC(=O)[C@H]1[C@@H]2[C@H]1CC[C@]21CC(=O)c2cc(Cl)ccc2O1 248317793 NNSGKJRIAUOMNB-UMWDJKAUSA-N 320.772 3.263 0 40 DGAB COc1ccc(CCC(=O)N2CCC[C@@](C)(OC)CC2)cc1 253431238 QUHLIHLMTJCNMR-GOSISDBHSA-N 305.418 3.045 0 40 DGAB Cc1cn(C)c([C@H]2CCN(C(=O)c3ccc4c(c3)CCCC4)C2)n1 257250759 JNXARSOCNKLPKV-SFHVURJKSA-N 323.440 3.237 0 40 DGAB O=C(c1cccnc1-c1cncs1)N1CCC(F)(F)CC1 257328758 XHACIYIWJCTXPN-UHFFFAOYSA-N 309.341 3.076 0 40 DGAB CCOc1ccccc1[C@@H](C)NC(=O)[C@@H](O)C1CCCCC1 331245240 RJASYMZOWRIHRU-DYVFJYSZSA-N 305.418 3.204 0 40 DGAB COc1ccc(-c2ccnc(N[C@H](CO)C3CCCC3)n2)cc1 560213900 YLXOXZOKARMUPR-QGZVFWFLSA-N 313.401 3.115 0 40 DGAB O=C(Nc1ccc(F)cc1Cn1ccsc1=O)C1CC=CC1 585079659 SJGMHULJOKRWQP-UHFFFAOYSA-N 318.373 3.002 0 40 DGAB COc1cc(CN(C)Cc2ocnc2C)ccc1OC(F)F 585120898 VEZQOIIQRZNTEY-UHFFFAOYSA-N 312.316 3.225 0 40 DGAB CSC[C@@H](C)C(=O)N1[C@H]2CC[C@H]1CC(O)(c1ccccc1)C2 585130159 JLXZRYFNLMDJGI-KBMXLJTQSA-N 319.470 3.027 0 40 DGAB CSc1ccc(CCC(=O)N[C@@H]2CCC23CCOCC3)cc1 585409592 QHDZDHKSKPUSKX-MRXNPFEDSA-N 319.470 3.417 0 40 DGAB O=C(COc1ccc(Cl)cc1)N1CCC2(CC1)CC2(F)F 650599096 CUVVQSDQJAUNIC-UHFFFAOYSA-N 315.747 3.367 0 40 DGAB CN(CC1CCNCC1)C(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1 1524112037 BZBAJQGHHSXCAV-WOJBJXKFSA-N 322.452 3.401 0 40 DGAB NC(=O)N1CCCN(Cc2ccc(-c3ccccc3)s2)CC1 92754155 MZEWGIPULUJKSL-UHFFFAOYSA-N 315.442 3.002 0 40 DGAB CCC(=O)NC(=S)Nc1nc2cc(Cl)c(C)cc2s1 569410 RWSVHQLBAFFMHP-UHFFFAOYSA-N 313.835 3.481 0 40 DGAB CC(C)[C@H](OC(=O)c1cccs1)C(=O)NC1CCCCC1 1381114 CDKMRNZXKJODIX-AWEZNQCLSA-N 309.431 3.378 0 40 DGAB C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)CCCC1CCCC1 78970841 RTKXHVNSHRWAFM-AWEZNQCLSA-N 324.490 3.297 0 40 DGAB CNc1nc(CNC(=O)Nc2cccc(CSC)c2)cs1 79062834 BBIPWLKMPQEDFG-UHFFFAOYSA-N 322.459 3.370 0 40 DGAB Cc1ccccc1N1CCN([C@@H]2CCc3cc(O)ccc3C2)CC1 1846110 ZYGBSDBJSDMKLV-LJQANCHMSA-N 322.452 3.380 0 40 DGAB in-man CCCOc1ccc(-c2csc(NC(=O)COC)n2)cc1 1903778 FTUFJWBREWRMBS-UHFFFAOYSA-N 306.387 3.184 0 40 DGAB CCOc1ccc(OC(=O)c2ccc(OC(=O)OC)cc2)cc1 2522798 INRSYFXBODQZAB-UHFFFAOYSA-N 316.309 3.450 0 40 DGAB CC(C)(C)NC(=O)[C@H](OC(=O)c1ccco1)c1ccccc1F 4901597 NRBUVUCBIJFLDN-CQSZACIVSA-N 319.332 3.232 0 40 DGAB CCCCN1C(=O)S[C@@H](Cc2cc(OC)ccc2OC)C1=O 6647611 MIRCLCUSDLQDIX-AWEZNQCLSA-N 323.414 3.110 0 40 DGAB CC1(C)[C@H]2CC=C([C@@H]3NC(N)=Nc4nc5ccccc5n43)[C@@H]1C2 7738555 NPWRIMCTAVGORR-ITDIGPHOSA-N 307.401 3.077 0 40 DGAB CC(C)c1nnc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)s1 7985646 HBGWJHFBHRHCDF-NSHDSACASA-N 323.805 3.257 0 40 DGAB C[C@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1cccs1 26245271 PDBMEGPXBPNKBX-NSHDSACASA-N 318.398 3.080 0 40 DGAB C[C@@H](NC(=O)N1CCC(Cc2ccccc2)CC1)[C@H]1CCCO1 26402257 PAAGKKAFQPIHJG-CRAIPNDOSA-N 316.445 3.218 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N1CCC(c2ncc[nH]2)CC1 58159840 HWJHBCKAVHZVPR-UHFFFAOYSA-N 304.781 3.475 0 40 DGAB Cc1ccc(CNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1F 44890876 UHUUTAQRUQRCPA-INIZCTEOSA-N 313.328 3.052 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)NCc1nc(C)cs1 44967456 DTOHPUIPHDGTKY-GFCCVEGCSA-N 319.430 3.363 0 40 DGAB O=C(O)[C@@H](Cc1ccc(Cl)cc1Cl)N1CCCCC1 57630378 LYJOAPUOUNKEAB-CYBMUJFWSA-N 302.201 3.475 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@@H]1CC[C@@H]3N1Cc1cccc(O)c1 100140938 SFARDGHPXZAXQZ-YOEHRIQHSA-N 320.396 3.005 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)c2ccoc2C)cc1 48356317 COCAYJFRANAVMW-GFCCVEGCSA-N 314.385 3.046 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NCc1cnn2ccccc12 75584085 SVWVUFFKVXOPTA-INIZCTEOSA-N 323.444 3.453 0 40 DGAB COc1cccc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c1 28235403 PDELKVMJYMNUGE-SFHVURJKSA-N 310.397 3.298 0 40 DGAB COc1ccc2nc(NC(=S)NC(=O)C(C)(C)C)sc2c1 21596379 DBBQZVQHJBREPN-UHFFFAOYSA-N 323.443 3.164 0 40 DGAB OC[C@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 12818556 NLLLFXRZDRRSNR-LBPRGKRZSA-N 306.793 3.199 0 40 DGAB COCc1cccc(NC(=O)Nc2cnn(CC(C)C)c2)c1 76082467 MLZAPBSPZSBRAL-UHFFFAOYSA-N 302.378 3.330 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)CSC1CCCC1 29738174 WEQVIIDGCXGDNE-UHFFFAOYSA-N 320.458 3.439 0 40 DGAB CCc1ccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)cc1 11915460 WAQLCHGYXHZPLE-GFCCVEGCSA-N 314.385 3.379 0 40 DGAB C[C@H](NCC(=O)NC1CCCC1)c1cccc(C(F)(F)F)c1 12993079 QSRPNRQPLLQNBD-NSHDSACASA-N 314.351 3.415 0 40 DGAB O=C(c1ccoc1)N1CC[C@@H]2CCN(c3ccccc3)CC[C@@H]21 306144349 ZCZMWUSZXWVBSM-YJBOKZPZSA-N 310.397 3.411 0 40 DGAB Cc1cccc(NC(=O)CCN2C(=O)[C@@H](C)Oc3ccccc32)c1 13000396 PXOZHRXPIDIRHE-CQSZACIVSA-N 324.380 3.138 0 40 DGAB COc1ccc2o/c(=N\O)c(C(=O)Nc3ccccc3C)cc2c1 5045805 BGCNFUMDGVQETM-ZZEZOPTASA-N 324.336 3.292 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3C)cc1C 9212215 FUBRGAADABYNQH-UHFFFAOYSA-N 322.416 3.324 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)c2ccc(Cl)o2)no1 96001136 SYJPGGFBAFMCPL-SNVBAGLBSA-N 309.753 3.382 0 40 DGAB Cc1cc(NC(=O)c2cc(C3CC3)nn2-c2ccccc2)no1 14138999 FGTVSGZEYYIHNU-UHFFFAOYSA-N 308.341 3.298 0 40 DGAB CCOCc1nnc(NC(=O)/C(C)=C/c2ccccc2)s1 4681977 YGEWNQRVFTUHCP-PKNBQFBNSA-N 303.387 3.117 0 40 DGAB CCc1noc(C)c1C(=O)O[C@@H](C)c1cccc(NC(C)=O)c1 95449987 QPGAXWXZXIKXBE-JTQLQIEISA-N 316.357 3.422 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1C 7032349 NFEHZIUAKKSRPK-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1c(C(=O)N(C)Cc2cccc(F)c2)[nH]c2c1C(=O)CCC2 15480120 IQVQQPBDFSPEII-UHFFFAOYSA-N 314.360 3.253 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N(C)Cc2nc3ccccc3s2)c1 7116752 HKJNUMFXXAQKDO-UHFFFAOYSA-N 313.382 3.099 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccc(OC(F)(F)F)cc1 7734660 SDSRQNYEZJQHEO-UHFFFAOYSA-N 316.323 3.400 0 40 DGAB COc1ccc(NC(=O)N2CCC[C@H]2C(C)C)cc1NC(C)=O 64529117 KYQKVQPMQJTKKZ-HNNXBMFYSA-N 319.405 3.306 0 40 DGAB CC(=O)c1ccc(-c2ccc(C(=O)NCc3ccncc3)o2)cc1 8231016 YIPODUYKTNRLBH-UHFFFAOYSA-N 320.348 3.474 0 40 DGAB O=C(NCc1csc(CCc2ccccc2)n1)c1ccco1 81933460 VYAMORWHMYAZOY-UHFFFAOYSA-N 312.394 3.451 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@@H](n4cccn4)C3)c[nH]c12 69454616 DIDRFGBFLAGXFH-OAHLLOKOSA-N 322.412 3.404 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)Nc1nnc(C2CC2)s1 8429215 HZBLVLWCJHIFLH-UHFFFAOYSA-N 313.426 3.476 0 40 DGAB CCn1cccc1/C=C1/NC(=O)N(c2cccc(Cl)c2)C1=O 409105370 IUYFTAFNSTZBNK-GXDHUFHOSA-N 315.760 3.259 0 40 DGAB O=C(CSc1ccccn1)Nc1nc2ccccc2s1 8741260 KNUMHXUXAKPWLY-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB COc1cc2ccncc2cc1OC(=O)c1scnc1C 97047411 WTXYBLPGMQOBOX-UHFFFAOYSA-N 300.339 3.228 0 40 DGAB Cc1ccccc1[C@@H](C)NCCC(=O)Nc1cc(N)ccc1F 97032973 YGZDUDPEWDTDPX-CYBMUJFWSA-N 315.392 3.396 0 40 DGAB Cc1cccc(NC(=O)Nc2ccnc(C(=O)N(C)C)c2)c1C 72294263 PIMZBPJMWFVFCI-UHFFFAOYSA-N 312.373 3.044 0 40 DGAB CC(C)(CNC(=O)Nc1cccc(-c2cccs2)c1)C(N)=O 72230601 ICUPSVPCTXHHCE-UHFFFAOYSA-N 317.414 3.048 0 40 DGAB Cc1noc(CN[C@H](CC(F)(F)F)c2ccc(F)cc2)n1 95984551 XFZLJUOHPVAMJT-LLVKDONJSA-N 303.259 3.300 0 40 DGAB O=C(NCCc1cscn1)Nc1ccc2c(c1)C(=O)CCC2 95973955 QSVMRHLKGZLQKJ-UHFFFAOYSA-N 315.398 3.026 0 40 DGAB CC(=O)Nc1ccc(NCc2nnsc2Cl)c(Cl)c1 89104611 UDFCUHKGPLPNQJ-UHFFFAOYSA-N 317.201 3.415 0 40 DGAB Cc1ccc2oc(N[C@@H](C(N)=O)c3ccc(Cl)cc3)nc2c1 75145869 TWLACNPHDNKPSI-CQSZACIVSA-N 315.760 3.428 0 40 DGAB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1cccnc1 408786738 VTVHYJCZUGXQQP-RIYZIHGNSA-N 313.382 3.155 0 40 DGAB Cc1cncc(N(Cc2ncc[nH]2)C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)c1 555513207 XYDZWADSQLKJGQ-HRCADAONSA-N 324.428 3.473 0 40 DGAB CO[C@@H]1C[C@H](c2ccccc2)CC[C@H]1NC(=O)c1ccsn1 566660407 NMFLYEFXYVSNKB-IIAWOOMASA-N 316.426 3.224 0 40 DGAB CCc1nc(Nc2cc(C)ccc2OC)c2c(n1)c(C)nn2C 32650879 UYXQMYUUUXYVHH-UHFFFAOYSA-N 311.389 3.295 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 79043807 ZSDHVHGODMJTFG-SECBINFHSA-N 311.744 3.225 0 40 DGAB CC(C)(C)NC(=O)C1CCN(c2nc3ccccc3s2)CC1 35315110 ZLHUOWNKPONBOU-UHFFFAOYSA-N 317.458 3.427 0 40 DGAB OCC[C@@]1(CNC2c3ccccc3-c3ccccc32)CCOC1 195555523 JOZMSQOGULSTAX-FQEVSTJZSA-N 309.409 3.135 0 40 DGAB CCc1nc2ccc(NC(=S)NC[C@H]3CCCO3)cc2s1 225207381 OHFMSSMQWNKRBC-LLVKDONJSA-N 321.471 3.324 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccn1 225433301 VPALDYYDNCLOPS-IBGZPJMESA-N 324.424 3.434 0 40 DGAB CC(C)n1cc(NC(=O)[C@]2(C)CC(c3cccs3)=NO2)cn1 226749520 PQJNDMNWHGDLMQ-HNNXBMFYSA-N 318.402 3.047 0 40 DGAB Cc1nc(CNCCOc2ncc(Cl)cc2Cl)cs1 95416726 UKHMMMVWNZEACS-UHFFFAOYSA-N 318.229 3.322 0 40 DGAB Cn1cc(C(=O)N[C@@H]2CCCOc3c2ccc2ccccc32)cn1 96460401 GTOZZQZIWVKNTO-QGZVFWFLSA-N 321.380 3.217 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@H]1C[C@H]1c1ccccc1 96486114 IRHSTXGBFHZAEQ-GJZGRUSLSA-N 316.401 3.175 0 40 DGAB CS(=O)(=O)c1sc(N)nc1-c1ccc(Cl)cc1Cl 96532983 LSEVLYWJRXIGLY-UHFFFAOYSA-N 323.226 3.103 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)NCc2ncccc2C)C1 96452345 RBJUZOOJPFERCT-KBPBESRZSA-N 307.463 3.254 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)O[C@@H](C)c2nnc(C)o2)cc1 96442074 VRMYABKPJPAAMP-JTQLQIEISA-N 313.313 3.259 0 40 DGAB CCc1cnc(CN[C@H](C)c2cccc(N3CCOC3=O)c2)o1 96491272 UTXKNBWHYHJZHG-GFCCVEGCSA-N 315.373 3.044 0 40 DGAB CO[C@@H]1CC2(CCN(c3nncs3)CC2)c2ccc(C)cc21 96241855 KNDFGZGNFRQOCS-OAHLLOKOSA-N 315.442 3.476 0 40 DGAB CC(C)COC1CCN([C@@H](C(=O)O)c2ccc(F)cc2)CC1 580955573 HXGHYLXNLPZJNK-MRXNPFEDSA-N 309.381 3.088 0 40 DGAB O=C(N1CCc2[nH]ncc2C1)C1(c2cccs2)CCCCC1 96414258 OWNQPQVJFVQOAS-UHFFFAOYSA-N 315.442 3.258 0 40 DGAB COCCCN1CCCC12CCN(Cc1cccc(F)c1)CC2 96075267 QTXLKASXFJIXPC-UHFFFAOYSA-N 320.452 3.293 0 40 DGAB CO[C@@H]1CC[C@H](NC(=O)N[C@H](c2ccccc2)c2ccco2)C1 249024619 KUKGAHWTSVVQRS-ZMSDIMECSA-N 314.385 3.236 0 40 DGAB C[C@H](Cc1ccoc1)NS(=O)(=O)c1cccc2ccccc12 84953097 SBXSJOCHPAOMTO-CYBMUJFWSA-N 315.394 3.342 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccc3nccn23)cn1 257235291 GXFLPULVJSUCPC-INIZCTEOSA-N 306.369 3.015 0 40 DGAB CCn1cc(C(=O)N2CCC[C@H]2c2cnccn2)c2ccccc21 257251294 JQDBUISGTZZMJN-SFHVURJKSA-N 320.396 3.429 0 40 DGAB Cc1ccnc([C@H]2CCN(C(=O)c3cc4ccc(F)cc4[nH]3)C2)n1 257260953 LFEQMUCEQFOVGW-ZDUSSCGKSA-N 324.359 3.035 0 40 DGAB CC(C)n1ccnc1CN1CCC(C)(c2nccs2)CC1 257224029 DZZDCKIKGWXNBW-UHFFFAOYSA-N 304.463 3.474 0 40 DGAB Cc1ccc(Cn2ccc(NC(=O)c3csc(C)n3)n2)cc1 257173026 ALPHYAHLLMQKCG-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cccc(C(F)F)c1 263519395 GKNVMUBNWPDULP-ZDUSSCGKSA-N 311.328 3.484 0 40 DGAB CO[C@](C)(CNC(=O)c1c(F)cccc1F)c1ccccc1F 96123461 FBXCLIKARSHVLZ-QGZVFWFLSA-N 323.314 3.396 0 40 DGAB COC(=O)c1cn(Cc2ccc(Cl)cc2)nc1C(F)F 575441304 BBQUTHFZATYQCE-UHFFFAOYSA-N 300.692 3.309 0 40 DGAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)c1ccc(O)nn1 36700928 STSZZADUSOTYKB-UHFFFAOYSA-N 303.321 3.006 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)C[C@@H]1C(=O)Nc2ccccc21 103276398 OLSRFCGVXRZSFQ-WFASDCNBSA-N 306.365 3.090 0 40 DGAB Cc1cc(=O)c(C(=O)N2CCC(c3ccccc3C)CC2)c[nH]1 95405562 GZOZRPOPQBJMBY-UHFFFAOYSA-N 310.397 3.012 0 40 DGAB Cc1ccc(NC(=O)COc2ccccc2-c2nc[nH]n2)cc1C 89643217 FOYCSXXNDMBCSQ-UHFFFAOYSA-N 322.368 3.106 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC[C@H]1CNc2ccnn2C1 96316225 LKNJSUGIGLMUTH-ZFWWWQNUSA-N 314.433 3.130 0 40 DGAB CCOc1cccc(CS(=O)(=O)c2ccc(C)c(C)c2)n1 97085290 MRJWOGDPPNHQHF-UHFFFAOYSA-N 305.399 3.071 0 40 DGAB CN1CCC[C@H](NC(=O)C2c3ccccc3Oc3ccccc32)C1 83877747 FDPFHCWCCCFFJV-AWEZNQCLSA-N 322.408 3.135 0 40 DGAB CCCC(=O)C[C@H](C)C(=O)C(=O)NC12CC3CC(CC(C3)C1)C2 5722357 WDNIRTXOFGWTEX-UHSVVUDUSA-N 319.445 3.036 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1csc2c1CC[C@@H](C)C2 13000135 HTRJMFBTCTWUMA-BXUZGUMPSA-N 323.458 3.190 0 40 DGAB Cc1cccc(CC(=O)NC[C@H](c2ccsc2)N(C)C)c1 13011232 LYIYHVKMCKZPHU-MRXNPFEDSA-N 302.443 3.018 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)Nc1c(F)cccc1F 15330028 OBVRJNNUTWBJCU-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB CC(C)(C)c1noc([C@H]2CCN(Cc3ccccc3F)C2)n1 19084654 FXFWKZDZKLYTBV-ZDUSSCGKSA-N 303.381 3.496 0 40 DGAB O=C(NCCc1ccco1)c1ncoc1-c1ccc(F)cc1 19342275 FHIYFBLHLLKISR-UHFFFAOYSA-N 300.289 3.046 0 40 DGAB C[C@H]1CN(Cc2c([C@H]3CCCO3)[nH]c3ncccc23)C[C@@H](C)O1 19497532 KQZPATQNVMNTKR-DVOMOZLQSA-N 315.417 3.024 0 40 DGAB Fc1ccc(Cc2nc3n(n2)N=C(c2ccccc2)CS3)cc1 19910204 MLZYWMBJKIVCHG-UHFFFAOYSA-N 324.384 3.366 0 40 DGAB CC[C@@H]1Oc2ccc(N)cc2N(Cc2ccc(F)cc2)C1=O 19954209 CJENEWGKUARVAI-HNNXBMFYSA-N 300.333 3.112 0 40 DGAB COc1ccc(/C=C2\N=C(S)N(c3ccccc3)C2=O)cc1 1468131 NSVSDYCWRPBVAF-PTNGSMBKSA-N 310.378 3.369 0 40 DGAB in-vitro NC(=O)c1ccc(OC(=O)c2ccc(Cl)cc2Cl)cc1 25970209 IFKZDSWBJVTNGZ-UHFFFAOYSA-N 310.136 3.312 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)c1ccc(Cn2cncn2)cc1 11202386 FJJKYMONRDOQMB-HNNXBMFYSA-N 320.396 3.160 0 40 DGAB CC[C@@H]1c2ccsc2CCN1CC(=O)Nc1c(C)n[nH]c1C 50276582 OSXNTYJJLWXWTH-CYBMUJFWSA-N 318.446 3.036 0 40 DGAB CCN(C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1ccccc1 100266716 TTYWVWGFQQCIML-QZTJIDSGSA-N 301.386 3.161 0 40 DGAB O=C(NCCc1ccccn1)c1cccc2c3c([nH]c12)CCCC3 31893499 VBLSBGZBKAFPKR-UHFFFAOYSA-N 319.408 3.414 0 40 DGAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)NCCc1cccs1 102399707 SVPJWQTUECAPNS-JDPPGYRCSA-N 319.470 3.128 0 40 DGAB COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCCC[C@H]1C 32862902 SHWXEELVULJFTQ-GDBMZVCRSA-N 304.434 3.424 0 40 DGAB Cc1ccc([C@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)cc1 523486 ROTSEPYSVIYKMQ-QGZVFWFLSA-N 314.410 3.106 0 40 DGAB CCN(CC)C(=O)Cn1cc(C(=O)C(C)C)c2ccccc21 560926 CNTDXRXKLMWYIA-UHFFFAOYSA-N 300.402 3.348 0 40 DGAB FC(F)(F)C1=CC(c2ccc(Br)cc2)=NCCN1 60978 VHYCMJJCSBOKKQ-UHFFFAOYSA-N 319.124 3.288 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CSC1=NCCS1 416676 BZDLGZQZQGXACB-UHFFFAOYSA-N 300.836 3.423 0 40 DGAB COc1ccccc1/C=C1/N=C(c2ccccc2OC)OC1=O 430634 RLGUTXLWZAYDKX-SDNWHVSQSA-N 309.321 3.048 0 40 DGAB CN1C(=O)/C(=C\c2ccc(Cl)cc2Cl)N(C)C1=S 473788 URGPVRIIALDAOR-BJMVGYQFSA-N 301.198 3.023 0 40 DGAB Cn1c(SCc2ccccc2)nc(C(F)(F)F)cc1=O 1400810 WRUCVIHPOOBJCI-UHFFFAOYSA-N 300.305 3.091 0 40 DGAB COc1ccc(CNC(=O)c2cnc(Cl)c(Cl)c2)cc1 3355655 ZPFMSEHGMMGINS-UHFFFAOYSA-N 311.168 3.327 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)cc1 3388039 OITGWJOWBGACLD-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Nn1cc(-c2ccccc2)nc1SCc1cn2ccccc2n1 4251812 AMYJGKWVNRXYCD-UHFFFAOYSA-N 321.409 3.204 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccc(OC)c(OC)c1 5701508 LPFWKOKVMCQKPW-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB Cc1nnc(CSc2nnc3c(Cl)cc(Cl)cn23)o1 6099210 UWWOJISRCMVVDY-UHFFFAOYSA-N 316.173 3.020 0 40 DGAB Cc1cc(-c2nnc3sc(-c4ccc(Cl)cc4)nn23)[nH]n1 6382242 DCOJOLUSPPWEAW-UHFFFAOYSA-N 316.777 3.205 0 40 DGAB C[C@H](Sc1ncccn1)C(=O)N[C@@H]1CCCc2ccccc21 6913182 TXUUDZOWVOXOBL-SWLSCSKDSA-N 313.426 3.151 0 40 DGAB CCOC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])c(Cl)cc1Cl 6954556 FLXDNMMVRFPBQE-FPYGCLRLSA-N 315.112 3.372 0 40 DGAB COc1ccc(CN(C)[C@H](C)C(=O)Nc2ccc(C)cc2)cc1 8130927 DUGKPTGBIZYQPN-OAHLLOKOSA-N 312.413 3.463 0 40 DGAB COc1ccc(-c2n[nH]c(SC[C@@H]3CCCCO3)n2)cc1 8343297 GAPDSWLOMGQJOU-ZDUSSCGKSA-N 305.403 3.142 0 40 DGAB CCc1c(C(=O)Nc2ccc(OC)cc2)nnn1-c1ccccc1 8715269 DUSCLJOTDOVDQY-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB CCCCc1nnc(NC(=O)c2cnc3ccccc3n2)s1 8754537 PDKGOQGTJYSEQS-UHFFFAOYSA-N 313.386 3.076 0 40 DGAB Cc1[nH]c2c(C(=O)NCCC[C@@H]3CCOC3)cccc2c1C 12204126 WUEJIVVFBTXOHS-CQSZACIVSA-N 300.402 3.331 0 40 DGAB COC(=O)C1(Cc2ccccc2-c2ccncc2)CCOCC1 12222481 XPZLDIJPCQWFPV-UHFFFAOYSA-N 311.381 3.261 0 40 DGAB CCCn1ccnc1SCC(=O)Nc1ccccc1OCC 12629171 USKLOBFMYUMQNS-UHFFFAOYSA-N 319.430 3.423 0 40 DGAB COc1cccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c1 12754494 BHVTUSUJWJWNKA-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB COC(=O)c1cccc(Oc2c(F)c(F)nc(F)c2F)c1 13718915 XQDITHYIVVZPSQ-UHFFFAOYSA-N 301.195 3.217 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N(C)C1CCCCC1 13986065 UHTULDCJQUXTNW-UHFFFAOYSA-N 313.401 3.286 0 40 DGAB CN(Cc1cccs1)C(=O)c1ccc(N2CCCC2=O)cc1 14083055 SJGWPTHXGOLTAX-UHFFFAOYSA-N 314.410 3.147 0 40 DGAB CCNC(=O)c1cccc(NC(=O)/C=C/c2ccccc2C)c1 14095770 WUYSTYSODCMACK-VAWYXSNFSA-N 308.381 3.397 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)NC1=NCCS1 14138399 OFVCWQLRHYJTDE-UHFFFAOYSA-N 309.441 3.013 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@H](C)c2ccc(F)c(F)c2)cc1 14574929 RZBZQGQKERYYFA-SNVBAGLBSA-N 319.307 3.242 0 40 DGAB CC(C)(C)c1cc(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)O)no1 17055313 OVTSMGWRJLRZKQ-GSNUKPDKSA-N 320.389 3.048 0 40 DGAB CNc1cc(C[C@@H](NC(C)=O)c2cccc(C)c2)nc(C2CC2)n1 19234468 OGDDGNMTPPGNNB-QGZVFWFLSA-N 324.428 3.124 0 40 DGAB Cc1csc([C@@H](Cc2cccs2)NC[C@H]2CCOC2)n1 19240064 AYVYFHARSMCODH-TZMCWYRMSA-N 308.472 3.423 0 40 DGAB Cc1nc(OCC(=O)Nc2ccccc2C)c2ccccc2n1 21361038 ZOBCHZGQAARDSA-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB Cc1nc(C2(NC(=O)c3ccc(Cl)o3)CCCCC2)no1 23508160 APRVURKNUHRRJD-UHFFFAOYSA-N 309.753 3.214 0 40 DGAB COc1cccc(C(=O)N[C@H](C)c2ccccc2F)c1OC 23544164 GVCGVRGVVPTHQK-LLVKDONJSA-N 303.333 3.334 0 40 DGAB Cn1nccc1CNC(=O)c1sc2sccc2c1Cl 24650173 CEVIVVCYOUFYAR-UHFFFAOYSA-N 311.819 3.280 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2C)nc1 24771725 HPZVDQMONYINCK-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB Cc1cccc(NC(=O)CCCNC(=O)c2ccccc2)c1C 24813433 QKELUJFHNJZGIG-UHFFFAOYSA-N 310.397 3.452 0 40 DGAB COCCN(Cc1ccco1)C(=O)c1ccc2ccccc2n1 25094798 JJHDSXVNFGRKDV-UHFFFAOYSA-N 310.353 3.117 0 40 DGAB O=C(/C=C/c1c(Cl)nc2sccn12)N1CCCCCC1 27681719 GAJAIISMSDNQEI-AATRIKPKSA-N 309.822 3.465 0 40 DGAB Cc1ccc(NC(=O)CCn2cc(Br)cn2)c(C)c1 28237849 OJCYVVONEMJQEV-UHFFFAOYSA-N 322.206 3.291 0 40 DGAB O=C(NCc1ccccc1COc1ccccc1)[C@@H]1CCCO1 30187347 IEUHRUJXMFVCGE-SFHVURJKSA-N 311.381 3.061 0 40 DGAB Cc1cc2c(nc1C)oc1c(=O)n(Cc3ccccc3)cnc12 32096172 XMVPCTNBKUNUDF-UHFFFAOYSA-N 305.337 3.203 0 40 DGAB COc1ccc(Nn2c(C(C)=O)nnc2-c2ccccc2)cc1 36649174 ITJLKHFRTLZQAB-UHFFFAOYSA-N 308.341 3.032 0 40 DGAB CN(C)[C@@H](CNC(=O)CCCc1ccccc1)c1ccco1 38629901 UPDCERSNLZCGNN-INIZCTEOSA-N 300.402 3.021 0 40 DGAB CC(C)c1cc(SCC(=O)N2CCc3ccccc32)ncn1 44225062 MADLAIYVGHGPJR-UHFFFAOYSA-N 313.426 3.281 0 40 DGAB COC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1 45957737 TUPOGINBLQZIKW-LLVKDONJSA-N 309.321 3.112 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@@H]2CCC[C@@H]21 56193873 NBCLIEABDLFMJB-DLBZAZTESA-N 314.360 3.076 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)o1 56665453 IPAYKMAMYQODLP-DOMZBBRYSA-N 323.396 3.272 0 40 DGAB NNc1nc2cc(C(F)(F)F)c(Br)cc2s1 57327554 SZKDZNYFWRDUFT-UHFFFAOYSA-N 312.114 3.363 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCCN(Cc2ccccc2F)CC1 58282592 LTBDHELNDSWWGZ-INIZCTEOSA-N 316.420 3.216 0 40 DGAB COc1ccncc1NC(=O)/C=C/c1ccccc1OC(F)F 58310226 YRZDSZXBGSEINO-VOTSOKGWSA-N 320.295 3.344 0 40 DGAB O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1cccc(Br)c1 58344379 HEUZDUNIZAHBDE-VHSXEESVSA-N 322.124 3.231 0 40 DGAB O=C(Nc1cccc(Oc2ccccc2)c1)N1CCC[C@H](O)C1 65585007 RXIXZURJISVYCO-HNNXBMFYSA-N 312.369 3.468 0 40 DGAB CCn1c(CSc2nncn2C2CC2)nc2cc(F)ccc21 66256474 WBUKJSYXLKNKLW-UHFFFAOYSA-N 317.393 3.414 0 40 DGAB C/C1=N\C[C@@H](C)NC(C)(C)C/C(C)=N/[C@H](C)CNC(C)(C)C1 68604772 VPWMRWNDCNUCTC-LVRPSKTRSA-N 308.514 3.215 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 69519425 GPNXOQUDVGNFEW-KRWDZBQOSA-N 315.392 3.045 0 40 DGAB CCc1ccc(C(=O)N(Cc2ccncc2)Cc2cccnc2)o1 69771410 RVPPQBNXDNRSKP-UHFFFAOYSA-N 321.380 3.475 0 40 DGAB CNC(=O)c1ccc(CN(C)C(=O)C[C@@H]2CCC[C@@H](C)C2)cc1 69982999 BLBMIHQPJITENB-GDBMZVCRSA-N 316.445 3.221 0 40 DGAB CCn1nc(C)cc1C(=O)N(CCc1cccc(F)c1)C1CC1 70959900 JAYPZTUVOYUJRE-UHFFFAOYSA-N 315.392 3.198 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72228093 ZZCARHSUPXOKSB-CVEARBPZSA-N 316.788 3.154 0 40 DGAB CCn1c2ccc(C(=O)OC)cc2c2cc(C(=O)OC)ccc21 73634159 UPURDXBFTMQNND-UHFFFAOYSA-N 311.337 3.388 0 40 DGAB CCOc1c(Cl)cccc1NC(=O)N[C@@H](CO)c1ccco1 76069385 BQZNVGOVKODPNI-LBPRGKRZSA-N 324.764 3.187 0 40 DGAB CCc1csc(NC(=O)N[C@H](C)Cc2c(C)noc2C)n1 76082126 CSEZUANPGHBUPS-MRVPVSSYSA-N 308.407 3.063 0 40 DGAB CC[C@H](NC(=O)NCc1cccnc1)c1cc(F)ccc1F 77517948 MKYCZJKILJDWBW-HNNXBMFYSA-N 305.328 3.310 0 40 DGAB COc1cccc(CC(=O)N[C@@H](c2ncccc2C)C(C)C)c1 79358179 CZYXZMHYVRORLS-GOSISDBHSA-N 312.413 3.455 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)OCC12CC3CC(CC(C3)C1)C2 84012070 IDKOLPOABIAYPQ-UHFFFAOYSA-N 316.445 3.339 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H]2C[C@@H]2c2cccc(F)c2)cs1 84274681 CDXCARYWZHNEIO-HUUCEWRRSA-N 319.405 3.288 0 40 DGAB CC[C@H](OC1CCCCC1)C(=O)N[C@@H](C)c1c(C)nn(C)c1C 84718715 PBHNUFIKWLIVNQ-LRDDRELGSA-N 321.465 3.342 0 40 DGAB FC(F)(F)c1ccc2[nH]nc(I)c2c1 89195890 XSVVXYXPXHNRSX-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2C)c(O)c1 89618890 KNGPRNAKXWUTFB-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB C[C@H](CC(=O)c1ccccc1)NC(=O)[C@H]1CCOc2ccccc21 89894607 FLXBWFQPQGJAGI-PBHICJAKSA-N 323.392 3.330 0 40 DGAB O=C(N[C@@H](CCCO)c1ccccc1)N1CCC[C@@H]1C1CCC1 95400341 NOMUFKLFEIOYKF-ZWKOTPCHSA-N 316.445 3.474 0 40 DGAB O=C(Cc1cccc(O)c1)N1CCC[C@H](Nc2ccccc2)C1 95427248 UUVAIHFCYWPOTO-KRWDZBQOSA-N 310.397 3.038 0 40 DGAB CCN(Cc1cccs1)C(=O)C[C@H]1CSCCS1 95433506 FDAJLQDFAWZEHY-LBPRGKRZSA-N 301.502 3.335 0 40 DGAB CN1CCC[C@@H]2CN(C(=O)CCCSC(C)(C)C)CC[C@@H]21 95436250 XMENLKXELBYEBF-CABCVRRESA-N 312.523 3.241 0 40 DGAB O=C(O)CCc1ccc(NC(=O)Cc2cccc(F)c2)cc1 95970773 PLPSBFWVKZCXOU-UHFFFAOYSA-N 301.317 3.024 0 40 DGAB CC/C=C(\C)C(=O)NC1CCN(Cc2ccccc2OC)CC1 96309344 FLPKBACCXZQUHS-VIZOYTHASA-N 316.445 3.132 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96456054 WABXYOCMXSEWGK-HOTGVXAUSA-N 320.458 3.439 0 40 DGAB Brc1ccc(CSc2ncn[nH]2)c2ncccc12 97085441 URCXTCSCJGSFFF-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB O=C(NCc1cccc(-c2ccccn2)c1)c1cc(O)cc(O)c1 97101988 MFIUIZZVWFKRBL-UHFFFAOYSA-N 320.348 3.090 0 40 DGAB O=C(c1ccc(CN[C@H]2CCCSC2)cc1)N1CCCCC1 97370921 ORQHSSCKOOMKLM-KRWDZBQOSA-N 318.486 3.298 0 40 DGAB O=C([C@@H]1CCCO1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97372158 HICBBJXMQMGBJY-OCCSQVGLSA-N 313.319 3.200 0 40 DGAB C[C@@H]1CC[C@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@@H]2C1 100623928 KGZGAVOSMRBVRK-LERXQTSPSA-N 306.793 3.131 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 102227310 VMCHLGWSINPFOR-YXMPFFBPSA-N 313.850 3.443 0 40 DGAB CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@@H]3CC[C@]12C 104056358 HLTJNNHJVDFQJM-DDVYYSQMSA-N 318.413 3.252 0 40 DGAB CO[C@@](C)(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1 106607289 RKMSFDJAMGTHOU-LJQANCHMSA-N 321.380 3.373 0 40 DGAB CC(C)n1cnc2c(N3CCCC3)nc(C3CCNCC3)cc21 107489359 BBNVSNOSWFXVSI-UHFFFAOYSA-N 313.449 3.079 0 40 DGAB CCN(CC)C(=S)Nc1nc2ccc(C(=O)OC)cc2s1 108022994 JZIWRYHLMSJMTK-UHFFFAOYSA-N 323.443 3.122 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)NC(C)(C)C 222746461 ORQGMFDHQRUPDZ-HNNXBMFYSA-N 318.461 3.427 0 40 DGAB Cc1ccc(OCCNC(=O)COc2ccccc2C)cc1C 223366019 PVWZONBRTDLEMY-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CC(=O)N1CCN(C(=O)c2ccccc2C)C[C@H]1c1ccccc1 257201229 AGULYYFPRZSQIU-IBGZPJMESA-N 322.408 3.041 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@@H](Cc2cccnc2)C1 257300021 RSOYMMDIQURZDV-HNNXBMFYSA-N 300.427 3.167 0 40 DGAB Cc1csc(C(=O)N2CCC[C@H](Cc3[nH]ncc3C)C2)c1 257313692 UTRKSKWJBDDLCZ-CYBMUJFWSA-N 303.431 3.183 0 40 DGAB CCc1ccccc1NC(=O)CN(C)Cc1ccc2c[nH]nc2c1 534335765 MZUKRTLVTGWNHW-UHFFFAOYSA-N 322.412 3.196 0 40 DGAB Cc1ncsc1CN(C)Cc1c(Cl)cccc1C(=O)O 566359475 UPLOXWMZRZXADV-UHFFFAOYSA-N 310.806 3.435 0 40 DGAB O=C(NC1CC(F)(F)C1)N[C@H]1CCOc2c(Cl)cccc21 582396785 WABNETAWZOCRAY-NSHDSACASA-N 316.735 3.261 0 40 DGAB Cc1cnc2c(NC(=O)NCCCCO)cccc2c1Cl 585119791 UVIAQKFSDPIHDV-UHFFFAOYSA-N 307.781 3.091 0 40 DGAB CCCCO[C@@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1(C)C 1543531993 BLBGLKLUZFRNHI-HZPDHXFCSA-N 315.417 3.048 0 40 DGAB Cc1ccc([C@H](CNc2ncnc3cnccc23)N(C)C)cc1 1775970323 BNLZIWMWAZHYDW-KRWDZBQOSA-N 307.401 3.048 0 40 DGAB O=C(NC(=S)Nc1cccnc1Cl)c1cccc(F)c1 248633 BXZIZGNWPPRZEG-UHFFFAOYSA-N 309.753 3.001 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@@H](c1ccccc1Cl)N2 531563 ATXKPAOARXCWDG-NWDGAFQWSA-N 315.764 3.253 0 40 DGAB Cc1cccc2c(=O)cc(C)n(CC(=O)Nc3ccccc3)c12 547734 XEGZZVCBOWSUKH-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB O=c1cc(-c2ccc(Cl)cc2)sc(N2CCOCC2)c1 1492320 WVAMXZOUPLIOOT-UHFFFAOYSA-N 307.802 3.265 0 40 DGAB CC(=O)n1cc(CCN)c2cc(OCc3ccccc3)ccc21 2572384 JZUGRANAANIGFF-UHFFFAOYSA-N 308.381 3.382 0 40 DGAB Cc1c(C(=O)Nc2cccc(F)c2)nnn1-c1cccc(F)c1 2698847 LEDXXTOENOVBCG-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB COc1ccc(CNC(=O)Cc2ccc(-n3cccc3)cc2)cc1 2928331 ZQMMNYFTKSJKIG-UHFFFAOYSA-N 320.392 3.345 0 40 DGAB O=S(=O)(NCc1ccccc1Cl)c1ccc(Cl)cc1 3374381 QRYNRPHTUBRJOP-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cccnc2Cl)cc1 3396887 TVISBWCXPFJSSP-NSHDSACASA-N 318.760 3.227 0 40 DGAB COC(=O)c1ccccc1NC(=O)CSCc1ccccc1 3438276 KQZVCRDNIUPDSU-UHFFFAOYSA-N 315.394 3.345 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2C)cc1F 3474972 UFFDGAISGCMFRF-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(CSc1ncnc2sccc12)NCC1CCCCC1 3604435 PPKAKEIWLPFMAS-UHFFFAOYSA-N 321.471 3.480 0 40 DGAB CN1O[C@@H](COC(=O)c2ccc(F)cc2)C[C@@H]1c1ccccc1 5913914 LTTXAJCOWRSHBG-IAGOWNOFSA-N 315.344 3.360 0 40 DGAB Cc1ccc(NC(=O)COC(=O)CCc2ccccc2)cc1F 6375103 PLEZUFGAGMSHPA-UHFFFAOYSA-N 315.344 3.249 0 40 DGAB COc1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 6378125 GPTNOSBCHOGQHV-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB Cn1c(NC(=O)c2cccc(OC(F)F)c2)nc2ccccc21 6402151 LVLZIPZONBPSAC-UHFFFAOYSA-N 317.295 3.427 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1C 6422820 FJZDJFMMTZUJKA-CQSZACIVSA-N 323.392 3.438 0 40 DGAB CCCC[C@@H](CC)CNC[C@H](O)COCc1ccc(OC)cc1 6939321 ALVXVTRQYGBRMM-AEFFLSMTSA-N 323.477 3.379 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(C)cc2C)cc1 7069629 ZVHMZTVVYUMKBY-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB COc1ccc(C(=O)OCc2cn3cc(C)ccc3n2)cc1F 8251734 WQCKUGNKGPPVFV-UHFFFAOYSA-N 314.316 3.147 0 40 DGAB CC[C@H](C)NCc1cc(Br)c(OC)c(OC)c1 8326627 GPFTWELMAUCNTD-VIFPVBQESA-N 302.212 3.354 0 40 DGAB CC(=O)N[C@H](CC(=O)N[C@@H](C)c1ccccc1)c1cccs1 8734529 IVKARGKZICWBIH-SWLSCSKDSA-N 316.426 3.193 0 40 DGAB CN1C[C@@H](c2nc3ccccc3n2Cc2ccccc2F)CC1=O 8845098 HXNUMGSGPHJQHH-AWEZNQCLSA-N 323.371 3.169 0 40 DGAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccco1 8969201 YAACPROIKGSQEL-MRXNPFEDSA-N 323.352 3.460 0 40 DGAB Cc1cccc(CN2C(=O)N[C@]3(CCCc4ccccc43)C2=O)c1 9762166 NDVJOOXMLDQPQS-FQEVSTJZSA-N 320.392 3.279 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cc(=O)[nH]c2ccccc12 12808189 CXDXVTWMXHLOOZ-LBPRGKRZSA-N 322.364 3.028 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)cc1F 12988812 SJKWMSSVIZTLNA-CYBMUJFWSA-N 324.359 3.206 0 40 DGAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccc(F)cc2)c1 13010194 LEOQBYRGGRKDMS-UHFFFAOYSA-N 314.360 3.350 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CC2(C(=O)O)CCCCC2)cc1 13255828 NMZLQOSHMZZYSX-UHFFFAOYSA-N 318.373 3.009 0 40 DGAB Cc1noc(C)c1Cc1ccc(C(=O)N2CCC(C)CC2)o1 13641058 QFRVSXPZSXLYHP-UHFFFAOYSA-N 302.374 3.347 0 40 DGAB Cc1ccc(Nc2nnc(SCCO)s2)cc1Cl 14141732 HEMPVMJQVMHVKU-UHFFFAOYSA-N 301.824 3.328 0 40 DGAB COC(=O)c1ccccc1NCc1nc2ccccc2nc1C 16265264 HJRQPDJKJFENSI-UHFFFAOYSA-N 307.353 3.337 0 40 DGAB Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCCN4C[C@H]3C)c2)n1 19574820 CDDJIMDNYZXHOL-XLIONFOSSA-N 324.472 3.158 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1F)CC(O)=N2 20731540 CNYHXOUXOLJPAA-LBPRGKRZSA-N 323.331 3.233 0 40 DGAB COc1ccc(CC(=O)Nc2cccc3cnccc23)c(OC)c1 21218145 GOUQTCNXRIIRQR-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB CCOC(=O)c1cn(-c2ccc(F)cc2)c(=O)c2ccccc12 21360103 YTOPUFDCGVUZBL-UHFFFAOYSA-N 311.312 3.307 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)c2ccco2)C1 25315707 KGJCYJHFPWONEC-CQSZACIVSA-N 312.369 3.079 0 40 DGAB CON(C)C(=O)c1cccnc1Sc1cc(C)ccc1C 25715098 ZOFIUADXJNLVHB-UHFFFAOYSA-N 302.399 3.483 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccccc3F)CC2)cc1F 26937610 BMOWBEFNDIQJHY-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB Cc1cc2oc(C(=O)N3CCN(C)CC3)c(C)c2cc1Cl 27991758 PHUOYHYUQXMRFG-UHFFFAOYSA-N 306.793 3.091 0 40 DGAB Cn1cc(C(=O)N2CCc3sccc3[C@@H]2c2ccccc2)cn1 29280223 KWMCAFKILYGGHF-KRWDZBQOSA-N 323.421 3.270 0 40 DGAB COc1ccc(CCC(=O)N(C)Cc2ccccc2)cc1OC 30848319 WFRLFDKOEMEOKQ-UHFFFAOYSA-N 313.397 3.295 0 40 DGAB CN(CN1C(=O)C(=O)c2ccccc21)[C@@H]1CCCc2ccccc21 32899410 RYTKIRWAAXJKNI-QGZVFWFLSA-N 320.392 3.183 0 40 DGAB O=C(NCc1ccc(Cl)cc1Cl)Nc1nncs1 40095147 IOZRCAQAQOQKRF-UHFFFAOYSA-N 303.174 3.167 0 40 DGAB Cc1ccc2cnn(CCC(=O)N3CCc4ccccc4C3)c2c1 40759239 COLHDVAJKVQUIM-UHFFFAOYSA-N 319.408 3.320 0 40 DGAB O=C(COc1ccc(F)cc1)NCCSCc1ccccc1 41007988 MVNBYJZBKYTHSK-UHFFFAOYSA-N 319.401 3.254 0 40 DGAB Cc1ccccc1OC(=O)[C@@H]1CC(=O)N(c2ccccc2F)C1 44717703 TVUGYDSFTONTOM-CYBMUJFWSA-N 313.328 3.093 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1cc(C)on1 48206665 KHVDIJAPAYZDGF-CQSZACIVSA-N 316.361 3.146 0 40 DGAB Cc1ccc(CNC(=O)CCOc2ccc(Cl)cc2)cn1 49195848 HVENDHKPKAIIEH-UHFFFAOYSA-N 304.777 3.129 0 40 DGAB O=C(NCc1ccccn1)N[C@H]1CCOc2c(Cl)cccc21 55084951 ITCMQWFTVFNTJU-AWEZNQCLSA-N 317.776 3.058 0 40 DGAB CCN(CC)c1ccc(NC(=O)NCCc2ccccc2)cn1 58018254 KGEMWPAMORTMDL-UHFFFAOYSA-N 312.417 3.292 0 40 DGAB O=c1c2nc(-c3ccccc3)cn2ccn1-c1ccc(F)cc1 64670275 UUOMGNAUESORQJ-UHFFFAOYSA-N 305.312 3.291 0 40 DGAB CCn1cc(C2CCN(Cc3ccc(OC)c(F)c3)CC2)cn1 65466632 QSFOQWNZFNSXSB-UHFFFAOYSA-N 317.408 3.430 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(OC(F)F)cc1 65550287 FPPJAVCEZRUWMX-ZDUSSCGKSA-N 314.332 3.321 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2)C1)c1ccccn1 65564523 ZPHZFCYRNMOPNO-AEFFLSMTSA-N 323.440 3.171 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)[C@@H](C)Oc2ccccc2)c1 65697848 GQJUQUWANALOEI-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCO[C@H](C)C(=O)NCCc1csc(-c2ccc(C)cc2)n1 69483913 BDOPETMSSMTRPM-CYBMUJFWSA-N 318.442 3.202 0 40 DGAB Cn1cnc(-c2ccc(F)cc2)c1NC(=O)CC[C@H]1CCCO1 69562291 QJYZCIWCKNUOJL-CQSZACIVSA-N 317.364 3.124 0 40 DGAB CC[C@](C)(O)CNCc1ccc(OCc2csc(C)n2)cc1 69739607 KUVVLWMYWQHFFP-KRWDZBQOSA-N 320.458 3.281 0 40 DGAB O=C(c1cccc2cccnc12)N1CCCC[C@@H]1Cn1cccn1 69929658 LBOVZOYELJGMEC-MRXNPFEDSA-N 320.396 3.126 0 40 DGAB O=C(Nc1ccccc1Cl)N1CCC2(CC1)OCCS2 70637402 TZDRUWZTILWXJN-UHFFFAOYSA-N 312.822 3.427 0 40 DGAB CC(=O)c1c(C)nc(C)nc1SCc1noc2c1CCCC2 71888720 RPKSZXTTWLODSV-UHFFFAOYSA-N 317.414 3.455 0 40 DGAB Cc1noc([C@@H](C)N2CCC[C@H](c3nc4ccccc4[nH]3)C2)n1 71892930 HCEOHCZQVPSMLR-YPMHNXCESA-N 311.389 3.195 0 40 DGAB COc1c(C)cc(CNCCCNC(=O)OC(C)(C)C)cc1C 72274453 BWPXQKVTVRMBPK-UHFFFAOYSA-N 322.449 3.316 0 40 DGAB CCc1ccc(NC(=O)C2(N(C)C)Cc3ccccc3C2)cc1 72292854 GBHJZJHVHVOEOO-UHFFFAOYSA-N 308.425 3.287 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H]1C[C@@H]1c1ccccc1 75123062 UBMXCKYJBAOCPQ-VXGBXAGGSA-N 322.286 3.136 0 40 DGAB CCS[C@@H]1CCCC[C@H]1NC(=O)NCc1cc(CC)no1 78333684 ZMFVURBRLZIQMZ-ZIAGYGMSSA-N 311.451 3.101 0 40 DGAB FC(F)(F)c1ccnc(Oc2cncc(Br)c2)n1 78836364 JIKOJOTYQRGYIC-UHFFFAOYSA-N 320.068 3.445 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)N[C@H](C)c1ccc(Cl)cc1 84072193 QXUJEFZATGAELS-LLVKDONJSA-N 319.792 3.230 0 40 DGAB O=C(c1cccnc1Oc1cccnc1)N1C[C@H]2CCC[C@@H]2C1 89794083 VEONKVKFMGKGHS-ZIAGYGMSSA-N 309.369 3.141 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC[C@@]2(O)CCc3ccccc32)c1 90780107 DOGDSMWIVWTNCD-VLIAUNLRSA-N 324.424 3.130 0 40 DGAB COc1ccc(CCN[C@@H](C)c2ccccc2N)cc1OC 95097488 CFNIJPNYVCOJHA-ZDUSSCGKSA-N 300.402 3.179 0 40 DGAB Cc1nc(-c2ccc(NC(=O)c3cscn3)cc2Cl)n[nH]1 95463306 JTVDVBRDBMVVQX-UHFFFAOYSA-N 319.777 3.142 0 40 DGAB COc1cccc(CNC(=O)C(C)(C)c2ccc(Cl)cc2)n1 95957711 JXHQWQDZDFZHSV-UHFFFAOYSA-N 318.804 3.338 0 40 DGAB FC(F)c1nnc(N2CCC[C@H](c3nccs3)C2)s1 95994714 VKPWVNAIESJLKE-ZETCQYMHSA-N 302.375 3.316 0 40 DGAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@@H]12 96058447 PETNXQAXLXPEDC-WOJBJXKFSA-N 324.424 3.044 0 40 DGAB CC(C)[C@@H]1CO[C@]2(CCN(c3nccc(C(F)(F)F)n3)C2)C1 96072039 LOESOPJPJRGQTL-SMDDNHRTSA-N 315.339 3.137 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccncc2)C[C@@H]1Cc1cccc(C)c1 96110525 RXDDRDGQDZUHDS-OALUTQOASA-N 324.424 3.110 0 40 DGAB C[C@]1(C(=O)NCc2ccccc2)CC(c2ccccc2F)=NO1 96192524 XYVJCBHHFOHPHL-GOSISDBHSA-N 312.344 3.025 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1ccccc1C)CC2 96207306 PBQFWBWBBVIBKE-SFHVURJKSA-N 303.446 3.260 0 40 DGAB CCOC(=O)c1ccc(Cc2nc(C(=O)OCC)cs2)cc1 96345670 WTUUBPFPVLWZAX-UHFFFAOYSA-N 319.382 3.087 0 40 DGAB Cc1cc(CSc2nnc(N)n2C2CC2)c2ccccc2n1 96409767 ZRNGGJHJZZTLMN-UHFFFAOYSA-N 311.414 3.344 0 40 DGAB O=C(CCCc1ccccn1)NCCc1cc2ccccc2[nH]1 96483108 QCWYOLITPPVQKI-UHFFFAOYSA-N 307.397 3.245 0 40 DGAB CC(C)OCCCn1c(S)nc2cc(Cl)ccc2c1=O 96682210 OFQRLPNNNHOAJE-UHFFFAOYSA-N 312.822 3.154 0 40 DGAB Cc1occc1S(=O)(=O)Cc1ncc(-c2ccccc2)o1 97163183 LOTKYGMENJWOOY-UHFFFAOYSA-N 303.339 3.217 0 40 DGAB Cc1ccc([C@@H](C)NCC(=O)N2CCC[C@@H](C(F)(F)F)C2)o1 97374001 YOTPKVHCBROHRC-VXGBXAGGSA-N 318.339 3.040 0 40 DGAB C[C@@H](NC(=O)c1cc(O)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999160 IQZIOBLUWYVRBK-BHPKHCPMSA-N 310.397 3.495 0 40 DGAB Clc1ccc(-c2ccc3nnc([C@@H]4CCCCN4)n3n2)cc1 217563488 WUACSLUSLZPQIQ-AWEZNQCLSA-N 313.792 3.259 0 40 DGAB CN(C)C(=O)c1ccc(NC(=S)NC2CCCCCC2)cc1 225354280 KGXMBYTXXXWCSE-UHFFFAOYSA-N 319.474 3.398 0 40 DGAB Cc1cccc(CC(=O)N[C@H](c2cccnc2)C2CCOCC2)c1 225617289 LEMHJZGHAUGDMC-FQEVSTJZSA-N 324.424 3.217 0 40 DGAB O=C(C[C@@H](C(=O)O)N1CCCCC1)c1ccc2c(c1)CCCC2 256027891 IMOMGQDYGQERTJ-KRWDZBQOSA-N 315.413 3.077 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1Cc1nc2ccccc2n1C 257230922 GEMWBJKAKPMTFJ-MRXNPFEDSA-N 309.417 3.332 0 40 DGAB COc1cc(/C=C(/C)[N+](=O)[O-])ccc1OC(=O)c1ccco1 408528982 YPVVYIBMDAPZPT-NTMALXAHSA-N 303.270 3.145 0 40 DGAB CCCn1cc(I)c(CO[C@@H](C)CC)n1 408717367 YXUCSTDXKDVBLA-VIFPVBQESA-N 322.190 3.213 0 40 DGAB COc1ccccc1O[C@H](C)CNC(=O)C1(C)C[C@@H]2C[C@H]2C1 551527373 LXQZTTRDQJVVIV-RDBSUJKOSA-N 303.402 3.015 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2c(C3CCC3)cnn2C)C1 585102481 CMTDARBUQCKIIM-CQSZACIVSA-N 321.490 3.435 0 40 DGAB Cc1cc2nccc(Cl)c2n1S(=O)(=O)c1ccccc1 642882852 DSPZYTKDSNAGFK-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB CO[C@@H]1CCN(Cc2cscn2)C[C@H]1Cc1ccc(F)cc1 643914863 YGIFLONXZVJQTO-RHSMWYFYSA-N 320.433 3.362 0 40 DGAB Cn1nccc1-c1ccc(CNC(=O)c2cc3ccccc3o2)o1 1888914084 ZPOBQFYZIIKKKZ-UHFFFAOYSA-N 321.336 3.356 0 40 DGAB COc1ccc2nccc(C(=O)NCCc3ccc(F)cc3)c2c1 1889264326 UCTMMCJNYBJELF-UHFFFAOYSA-N 324.355 3.355 0 40 DGAB CC(C)CO[C@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc(Cl)n1)C2 2055738800 RFRHRNVNKSGKSK-LNSITVRQSA-N 308.809 3.011 0 40 DGAB CCCn1c(CCNC(=O)c2ccccc2)nc2ccccc21 200999 MBMVTXBPTFXWKA-UHFFFAOYSA-N 307.397 3.419 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2C)cc1Cl 567053 ASDRKILBVYZAGQ-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CCOc1ccc(C(=O)N2CCn3c2nc2ccccc23)cc1 804415 IZRIJZIALGZHAL-UHFFFAOYSA-N 307.353 3.095 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)Nc2nc(C)cs2)c1 1925529 URMXGZVNHFIVOC-QPJJXVBHSA-N 304.371 3.121 0 40 DGAB COc1ccccc1C(=O)[C@@H](CCCO)[C@H]1CCOC(C)(C)C1 2116049 RGGBBFDNXPKSLS-GJZGRUSLSA-N 320.429 3.472 0 40 DGAB biogenic CSc1ccccc1C(=O)NC[C@H](c1ccco1)N(C)C 3340448 NJKFWJPMPFXJQC-CYBMUJFWSA-N 304.415 3.034 0 40 DGAB Cc1ccc(N2C(=O)c3[nH]nc(C)c3[C@H]2c2cccnc2)cc1 4040174 NJRWOMKXIDBZMC-QGZVFWFLSA-N 304.353 3.171 0 40 DGAB O=C(c1cc2cc(Cl)cc(Cl)c2oc1=O)N1CCCC1 4966002 QLAIUXVGDXKVAF-UHFFFAOYSA-N 312.152 3.336 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1ccc(CN2CCCC2)cc1 5817149 LMQIFMWDYFIOBR-UHFFFAOYSA-N 319.474 3.142 0 40 DGAB C[C@@H]1CCc2sc(NC(=O)C3CCCCC3)c(C(N)=O)c2C1 5919955 CYXQWYGJLCZZBR-SNVBAGLBSA-N 320.458 3.491 0 40 DGAB CCOc1ccc(C(=O)O)cc1/C=N/c1ccc([N+](=O)[O-])cc1 6963878 XPFOKQCJWOMIFF-LICLKQGHSA-N 314.297 3.442 0 40 DGAB Cc1cnc(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cn1 7987553 PRGWNICJMNYCRT-SFHVURJKSA-N 317.392 3.499 0 40 DGAB COc1cc(CNC(=O)C[C@H]2C=CCC2)ccc1OC(F)F 8127824 WGCZIIKVXYICQF-NSHDSACASA-N 311.328 3.269 0 40 DGAB COc1cc2c(cc1/C=C/C(=O)Nc1nccs1)O[C@H](C)C2 8734283 VDRCBSJCTMAQSZ-HMDXOVGESA-N 316.382 3.127 0 40 DGAB COc1ccc(OCCCn2c(C=O)nc3ccccc32)cc1 11735051 MLQNZMLJJQFLTP-UHFFFAOYSA-N 310.353 3.327 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NCC2(c3ccccc3)CCCC2)c1 12101402 CPGSWJQOXFNNPN-UHFFFAOYSA-N 310.397 3.459 0 40 DGAB CC(C)(C)c1ncc(C(=O)NCCCc2ccc(F)cc2)cn1 12193257 PMTABHOLPICNNE-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB COC(=O)c1ccc(NCC(=O)Nc2ccc(C)cc2)c(C)c1 12737134 CGHQCLNAVCVATK-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB Cc1cc(C)c(NCC(=O)NCCOc2ccccc2)c(C)c1 12768075 IIRFWKSNQJEALW-UHFFFAOYSA-N 312.413 3.219 0 40 DGAB COc1ccc([C@@H]2CCCN2[C@@H](C(N)=O)c2ccccc2)cc1 12796073 JNUDRXJXTSTTNA-ZWKOTPCHSA-N 310.397 3.059 0 40 DGAB Cc1ccccc1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 13000512 BATZXDLDEANSLR-LJQANCHMSA-N 308.425 3.447 0 40 DGAB CCCNC(=S)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 13555859 BHKIISXBZLKOPG-LBPRGKRZSA-N 302.447 3.027 0 40 DGAB Cc1ccc2nc(C)c(NC(=O)Nc3cccs3)c(=O)n2c1 13707875 LMKMJIBGPWVLKJ-UHFFFAOYSA-N 314.370 3.017 0 40 DGAB COc1ccccc1CNCc1cc2c(C)cc(C)cc2[nH]c1=O 13999140 CDMOTNNCKPTUEF-UHFFFAOYSA-N 322.408 3.443 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc(C)c(OC)c2)c1 14185822 HIEGOUKFKZWZCZ-UHFFFAOYSA-N 312.369 3.006 0 40 DGAB C[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@H](C)O1 14235625 GWPMMNBUUSRRTC-GJZGRUSLSA-N 323.392 3.167 0 40 DGAB Cc1csc2nc(CNc3cccc(Cl)c3)cc(=O)n12 15289142 FGHDHESKCHNKGV-UHFFFAOYSA-N 305.790 3.330 0 40 DGAB COc1ccc(OCCNC(=O)/C=C/c2ccc(C)cc2)cc1 16517078 BACYOHCEQCBDLA-KPKJPENVSA-N 311.381 3.212 0 40 DGAB CC(C)CCSc1nc(N)c2c3c(sc2n1)CN(C)CC3 20358710 ZATNXJGUCQXYND-UHFFFAOYSA-N 322.503 3.400 0 40 DGAB C[C@H]1CCCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)C1 22010058 KWCRWJRVNFIOBF-NSHDSACASA-N 316.474 3.384 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1ccc2[nH]cnc2c1 22641092 IUPSHKUICVCEGX-UHFFFAOYSA-N 306.369 3.415 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)Cc1coc(-c2ccccc2)n1 23198389 QHIIMHUHUBRXCO-LVZFUZTISA-N 321.380 3.335 0 40 DGAB COC(=O)c1ccoc1CSc1nc2ccc(OC)cc2[nH]1 23395959 CXKWPYPPNDFBGZ-UHFFFAOYSA-N 318.354 3.243 0 40 DGAB Cc1cccc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1C 25330042 OGEWWDMZGJQKRX-INIZCTEOSA-N 302.443 3.398 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N2CCCc3ccccc32)c1 30853521 IRMXHISWCVSVIF-AWEZNQCLSA-N 311.381 3.442 0 40 DGAB Fc1cc(CSc2nc3ncccn3n2)c2ncccc2c1 31620396 KKEAVUJWLGQMDS-UHFFFAOYSA-N 311.345 3.104 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCOCC(C)C 31747169 DVXJKRNKRQICDQ-AWEZNQCLSA-N 320.433 3.216 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1)c1ccc2c(c1)OCCCO2 32284980 HVOMHBZSLALRFP-LBPRGKRZSA-N 315.344 3.478 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N(Cc2cccnc2)C2CC2)c1C 32335955 XTZRGXPMXGJFPE-UHFFFAOYSA-N 311.385 3.034 0 40 DGAB CCC(C)(C)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 35655440 MVTQDGYFRAZDJW-UHFFFAOYSA-N 300.358 3.450 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccccc1Cn1cccn1 36759878 XLZPLROQFWHMPY-UHFFFAOYSA-N 305.381 3.421 0 40 DGAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 37301102 DGBGFGWNHQEAGU-LLVKDONJSA-N 304.777 3.357 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)NCc1cccnc1Oc1cccc(F)c1 43050143 NLYHVGNPVAWQMT-ABAIWWIYSA-N 300.333 3.285 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)s1 45834733 JAVJYEKQHGWIDQ-SNVBAGLBSA-N 303.387 3.038 0 40 DGAB Cc1ccccc1SCC(=O)N1CCn2cccc2[C@H]1C 48325901 YDEHPSSEZNGSBD-CQSZACIVSA-N 300.427 3.492 0 40 DGAB Cc1nn(C)cc1[C@@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49549914 HZQWLBWDGUVSIW-CYBMUJFWSA-N 319.434 3.104 0 40 DGAB CO[C@H](C)C(=O)N1CCCC[C@H]1c1nc2ccccc2s1 55051424 KKKHQSIEKQSLCD-YPMHNXCESA-N 304.415 3.385 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@@H]2c2ccccn2)c1C 55515467 KHSVDUZFOXAOFQ-OAHLLOKOSA-N 311.385 3.206 0 40 DGAB CCOc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 55768502 QHVKWGPCCICQOX-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=C(Nc1ccccn1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 57197753 FGVQWNPJBJAOOF-HOCLYGCPSA-N 315.348 3.263 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)c1ccnc(-n2ccnc2)c1 58063303 DWTUDRIIFHKBCF-UHFFFAOYSA-N 318.380 3.169 0 40 DGAB CCn1c(SCCO)nnc1-c1ccc(C(C)(C)C)cc1 60657006 QCLPYUHYOFGFQL-UHFFFAOYSA-N 305.447 3.347 0 40 DGAB COc1ccc(N(C)C(=O)c2cccc(N(C)C)c2)cc1OC 64814735 XIAGZMXIXBOZAM-UHFFFAOYSA-N 314.385 3.046 0 40 DGAB Cc1cc(N)nc(S[C@H](C)c2nnc(-c3cccs3)o2)n1 65568369 RPAUNFXTFOXBPO-MRVPVSSYSA-N 319.415 3.332 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)c(F)c1)c1cc(C2CC2)on1 65729491 NBEQSPRBFIBBJQ-UHFFFAOYSA-N 312.304 3.129 0 40 DGAB CCN(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H](C)C(C)C 67678902 HTJVMBYNKJCZQY-SECBINFHSA-N 319.327 3.292 0 40 DGAB Cc1noc(C)c1CN1CCN(c2ccc(Cl)cc2)CC1 69036602 NBADCRKCURHURW-UHFFFAOYSA-N 305.809 3.267 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(C(=O)N[C@H](C)CC)cc1C 69202045 ZAZODLYPWQBDRP-OLZOCXBDSA-N 305.422 3.443 0 40 DGAB CN1CCC(Nc2ccccc2NC(=O)Cc2ccccc2)CC1 69585123 DJCYBBFSEMIQLW-UHFFFAOYSA-N 323.440 3.374 0 40 DGAB CCc1noc(CN2CCC(c3ccc(F)c(F)c3)CC2)n1 69617369 LBSFHYMLLRODAD-UHFFFAOYSA-N 307.344 3.290 0 40 DGAB COc1cccc(-c2nsc(NC(=O)c3occc3C)n2)c1 69892705 LBDVHDNSHRTGQO-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CCCO1 71069908 ACJWBRYRSJCDBO-JTQLQIEISA-N 323.698 3.399 0 40 DGAB O=C(C[C@@H]1OCCc2ccccc21)N(CC(F)(F)F)C1CC1 71908508 LQXGUIWTUSPYNH-AWEZNQCLSA-N 313.319 3.244 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)c3c(C)oc(C)c3C)C2)no1 72232345 OCOMZHXCHFNXFL-CYBMUJFWSA-N 317.389 3.170 0 40 DGAB C[C@@H](CC(N)=O)NC(=O)Nc1ccccc1SC1CCCC1 72295164 YIMCOQSAQLYVJK-NSHDSACASA-N 321.446 3.107 0 40 DGAB Cc1cc(CCC(=O)Nc2cccnc2)cc([C@H]2CCCN2C)n1 72360558 LQHZODQUILMVMM-GOSISDBHSA-N 324.428 3.123 0 40 DGAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)NCC(C)C 72414535 PDMPISKTRUWUPB-UHFFFAOYSA-N 313.463 3.451 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)Nc2cnc(C(C)(C)C)nc2)C1 73187043 CUUGFALJSVPVNI-CYBMUJFWSA-N 320.437 3.055 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)Nc2ccc(OC)cc2)c1 74935098 SVSYMENDROMQIA-UHFFFAOYSA-N 321.398 3.067 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ccc3c(c2)nc(C)n3C)c1 74957500 BIVVKCLQLXTFKG-UHFFFAOYSA-N 307.353 3.337 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2Cc2c(C)noc2C)n1 75131836 ISLOMAYRQBDUGC-INIZCTEOSA-N 302.422 3.159 0 40 DGAB Cc1cc(C(=O)N(C)C2CCCCCCC2)c2cnn(C)c2n1 95407086 FGHVDXMXDBVHMX-UHFFFAOYSA-N 314.433 3.462 0 40 DGAB Cc1noc2nc(C(C)C)cc(C(=O)NCCc3ccncc3)c12 95964654 KRRNNCPVPPTCPS-UHFFFAOYSA-N 324.384 3.022 0 40 DGAB CCOC(=O)c1ccc(CN[C@@H]2CCOC3(CCCCC3)C2)o1 95988475 SNGCPVVUQFOZHB-CQSZACIVSA-N 321.417 3.428 0 40 DGAB CC(C)c1ccc(CN2C[C@@H]3OCCN(C(C)C)[C@@H]3C2)cc1 96248690 ZYNICZSJINQBDR-MOPGFXCFSA-N 302.462 3.103 0 40 DGAB Ic1c(-c2ccccc2)nc2ncccn12 96536904 ADUADKKEDIHZAK-UHFFFAOYSA-N 321.121 3.001 0 40 DGAB COc1ccc(CN2CCN(C[C@@H]3C[C@H]4C=C[C@H]3C4)CC2)cc1 100621878 XSVHECDLKBVVBE-FHWLQOOXSA-N 312.457 3.025 0 40 DGAB Cn1/c(=N\C(=O)Cc2noc3ccccc23)sc2ccccc21 105264464 GJBYEBKUXZOCTH-ISLYRVAYSA-N 323.377 3.051 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N1CCCCC[C@@H]1c1ccco1 110681685 AKZKVMXNFZVFRJ-LXTVHRRPSA-N 304.390 3.226 0 40 DGAB Cc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)cc1Cl 216955323 ZKENZCOXQKJZLX-UHFFFAOYSA-N 312.756 3.391 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SC)s1 224265439 LTTYQHFLAJWKDY-NSHDSACASA-N 323.443 3.365 0 40 DGAB CCc1ccc(N(CC)S(=O)(=O)c2ccc(OC)cc2)cc1 224856618 ZNPCBTCHJUJKIB-UHFFFAOYSA-N 319.426 3.473 0 40 DGAB COc1ccc([C@@H]2CCCCN(S(=O)(=O)C(C)C)C2)cc1 225658951 XRVVNNKFWQKTMW-OAHLLOKOSA-N 311.447 3.003 0 40 DGAB CC(=O)c1c(F)cc(F)cc1OCc1ncnn1C(C)(C)C 225749684 KZUKOOWPVRBHLZ-UHFFFAOYSA-N 309.316 3.093 0 40 DGAB CSc1cccc(F)c1C(=O)N[C@@H](CO)CCC(C)(C)C 252489880 KEBNBLHGOJBLFD-LLVKDONJSA-N 313.438 3.465 0 40 DGAB c1cnc(N2CCC[C@@H]2c2cccc(Oc3cccnc3)n2)nc1 257238853 HMUFKOPWIHGTBQ-MRXNPFEDSA-N 319.368 3.400 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](c3cccc4nccn34)C2)cn1 257338171 YWGXESBCXQGDKJ-MRXNPFEDSA-N 320.396 3.058 0 40 DGAB CN(CCCO)C(=O)Nc1ccc(Oc2cccc(F)c2)cc1 390835144 DPEUVNQJUOOPSW-UHFFFAOYSA-N 318.348 3.464 0 40 DGAB CN(C(=S)Nc1ccc2ncnc(O)c2c1)c1ccccc1 409002201 ZAIWIKKRPBJIHQ-UHFFFAOYSA-N 310.382 3.169 0 40 DGAB O=C(N[C@H]1C[C@@H]1Cc1ccccc1)c1cc(O)nc(C2CC2)c1 547780763 HDWCXRXENIPZAC-YOEHRIQHSA-N 308.381 3.026 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(F)cc3cccnc23)CC2(CCC2)O1 570967304 AZGQYGOLLDEUDX-GFCCVEGCSA-N 314.360 3.158 0 40 DGAB Cc1cc(-c2cccc([C@H]3CCCN3C(=O)C(C)(C)C)n2)n[nH]1 585180205 VZQGOPHTVVAMPF-MRXNPFEDSA-N 312.417 3.490 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 585181399 MCQJGETVBBPFNN-HNNXBMFYSA-N 322.412 3.230 0 40 DGAB Cn1cncc1C1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 1337772828 BQFFXXAVIRRWNF-UHFFFAOYSA-N 317.820 3.022 0 40 DGAB COc1ccc2cc(C(=O)Nc3ccccc3F)c(=O)oc2c1 191979 NHXHSGHCCWJATH-UHFFFAOYSA-N 313.284 3.193 0 40 DGAB O=C(CCc1nc(-c2cccs2)no1)NC1CCCCC1 428801 HBAXFVKGHMDFNX-UHFFFAOYSA-N 305.403 3.180 0 40 DGAB CCOc1ccccc1NC(=O)c1[nH]c(C)c(C(C)=O)c1C 429514 LQUYLDNNTWVFPG-UHFFFAOYSA-N 300.358 3.485 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cc1)c1ccc2c(c1)OCCO2 558409 GUQQOJKBSHFNSO-UHFFFAOYSA-N 324.380 3.310 0 40 DGAB COc1ccc(N2C(=O)/C(=C/c3cccs3)N=C2S)cc1 1010469 OVQGUZGGWJZSBV-LCYFTJDESA-N 316.407 3.430 0 40 DGAB CCCc1nn(C)c(C(=O)Nc2cccc(C(C)=O)c2)c1Cl 1018172 YYBBHMGMPRVRSK-UHFFFAOYSA-N 319.792 3.481 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(OC(F)F)cc1 3550963 AGFPZAYIAIFYIY-UHFFFAOYSA-N 311.313 3.269 0 40 DGAB COc1ccc2[nH]cc(C(=O)CN3C[C@@H](C)C[C@@H](C)C3)c2c1 4812246 YXARWBMJFNHNLH-BETUJISGSA-N 300.402 3.337 0 40 DGAB O=c1[nH]c(CNC2CCCCC2)nc2sc3c(c12)CCCC3 4848700 RRBDOGPNRDVRFA-UHFFFAOYSA-N 317.458 3.286 0 40 DGAB CC(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(=O)O 5163398 UJBXQXKEZWALKE-JTQLQIEISA-N 305.161 3.224 0 40 DGAB COc1ccc(NC(=O)CCc2cc(C(C)(C)C)[nH]n2)cc1 5500958 HYVMARKFMHAXIR-UHFFFAOYSA-N 301.390 3.287 0 40 DGAB O=C(COc1ccccc1Cl)Nc1ccc(C(=O)O)cc1 5584202 XLCAUPSLNAMKBT-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB CN(C)c1ccc(C2=N/C(=C\c3ccc(F)cc3)C(=O)O2)cc1 6396202 DWVKPFHOQQMONZ-WJDWOHSUSA-N 310.328 3.236 0 40 DGAB Cc1nc(-c2cccc(NC(=O)[C@H]3CCCN(C)C3)c2)oc1C 6500435 OTWIXRCVXOCPEA-HNNXBMFYSA-N 313.401 3.239 0 40 DGAB O=S(=O)(NCc1ccccc1F)c1ccc(F)c(Cl)c1 6510475 CINKZUGJJBKZQT-UHFFFAOYSA-N 317.744 3.097 0 40 DGAB NC(=O)c1ccccc1NC(=O)c1cccc(C(F)(F)F)c1 6884442 RRLGNOAUMYKDLU-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB Fc1ccc(-c2cnc(CSc3nnnn3C3CC3)o2)cc1 8231269 NORULQKVHGGXHQ-UHFFFAOYSA-N 317.349 3.094 0 40 DGAB Cc1cccc2c(=O)[nH]c(COC(=O)CCC3CCCC3)nc12 8458440 GPHCDFLCJAKISN-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB Cc1ccc(-c2[nH]ncc2[C@H]2NC(=O)c3ccccc3N2)cc1 8778841 GUZUMXKUJKNTGN-QGZVFWFLSA-N 304.353 3.239 0 40 DGAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@H](O)CC(C)(C)O2 8879691 OUPCWVFBGFLVPT-CQSZACIVSA-N 300.354 3.185 0 40 DGAB biogenic CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1cccc[n+]1[O-] 12604151 CJNYKFHESKKCEE-KFWWJZLASA-N 323.458 3.416 0 40 DGAB Cc1ccccc1CNC(=O)NC[C@@H](c1ccsc1)N(C)C 12984155 KLUFJKOTOYUHHC-INIZCTEOSA-N 317.458 3.159 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)Nc1nccs1 12999884 CSRNXVOXRPMMGH-UHFFFAOYSA-N 316.361 3.337 0 40 DGAB Cc1nc(NC(=O)NC2CCCCC2)nc2c1C(=O)C[C@@H](C)C2 13636315 LBEYVCNQQHTNQD-JTQLQIEISA-N 316.405 3.004 0 40 DGAB Cc1ccc(SCCNS(=O)(=O)c2ccccc2)cc1 14185967 FIMORFYTRHJZKG-UHFFFAOYSA-N 307.440 3.066 0 40 DGAB O=c1c2ccsc2ncn1Cc1cc(-c2cccs2)on1 14255429 WIPLLBGZFFESMZ-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB CC(C)O[C@H]1O[C@H](OC(C)C)[C@H](OC(C)C)O[C@@H]1OC(C)C 17284017 GMBSISAMOWPLPY-YHUYYLMFSA-N 320.426 3.038 0 40 DGAB CC(C)n1cc(CN2CC[C@H](C(=O)N(C)C)C2)c2ccccc21 19747877 DMYXIFOLTVYZIX-HNNXBMFYSA-N 313.445 3.132 0 40 DGAB CCCc1nnc(SCC(=O)Nc2c(C)cccc2C)o1 20033854 FHHZIBLRFVWVBF-UHFFFAOYSA-N 305.403 3.370 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccccc2C(C)(C)C)nc1 22960171 HNGZLBWAZOPHCB-UHFFFAOYSA-N 312.369 3.418 0 40 DGAB CCc1ccc([C@@H](CNC(=O)/C=C/c2ccco2)N(C)C)cc1 32735579 UPZYMXGXEQPWBT-IENJSVCTSA-N 312.413 3.274 0 40 DGAB CSc1ccccc1C(=O)Nc1ccc(NC(N)=O)cc1 32901843 AXBRNIVOEOKBDF-UHFFFAOYSA-N 301.371 3.151 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)c2ccc(C)o2)c(OC)c1 40526291 DODBMGHLKGYQLS-NSHDSACASA-N 304.346 3.488 0 40 DGAB Fc1ccccc1N1CCN(c2cnnc3ccccc23)CC1 41122891 HHVVRMLWBYCLMT-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)Cn1cccn1 46464390 RJDNACCQZXSIAV-GXTWGEPZSA-N 318.446 3.052 0 40 DGAB Cc1noc(C)c1C(=O)NCc1ccnc(Oc2ccccc2)c1 47166347 ODQCRMKQCPVNGS-UHFFFAOYSA-N 323.352 3.409 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1sccc1-n1cccc1 48263346 DYMPAEYWKJOPMP-CYBMUJFWSA-N 304.415 3.037 0 40 DGAB c1ccc2oc(N3CCC[C@@H]3c3nnc4n3CCCCC4)nc2c1 48345572 KWHKHAMKFOPDFX-CQSZACIVSA-N 323.400 3.487 0 40 DGAB Cc1cccc(CNCc2ccc(-n3nc(C)cc3C)nc2)c1 48742490 WBHCSYFSZLSVLH-UHFFFAOYSA-N 306.413 3.482 0 40 DGAB O=C(Nc1nccs1)[C@H](c1ccccc1)N1CCCCC1 52534205 YHAPKGVGAGARFK-AWEZNQCLSA-N 301.415 3.309 0 40 DGAB O=C(c1cc(Cl)sc1Cl)N1CCO[C@H]2CCC[C@@H]21 53376133 ZCCIASCKDAVAEB-IUCAKERBSA-N 306.214 3.448 0 40 DGAB Cn1cc(CNC(=O)Nc2ccccc2-c2cccs2)cn1 54386700 DKFLXBGJTUQYIG-UHFFFAOYSA-N 312.398 3.470 0 40 DGAB CCSCc1ccc(C(=O)N(C)C2CCN(C)CC2)cc1 56057573 AWWMJJOVLKTYST-UHFFFAOYSA-N 306.475 3.106 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)[C@H]1CCCN(c2ccccn2)C1 58070729 DGXMVLZMASSPIY-FUHWJXTLSA-N 321.424 3.102 0 40 DGAB COc1cccc(CSCc2nc3ccccc3c(=O)[nH]2)c1 58368031 BLRCDDBUQCRHAH-UHFFFAOYSA-N 312.394 3.365 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)c1cc(-c2ccco2)on1 58901405 SQLLZTQHBNVYQH-UHFFFAOYSA-N 307.309 3.346 0 40 DGAB CC(C)n1cc(NC(=O)c2ccccc2Br)cn1 61683849 FQKNSYLUKXWHSN-UHFFFAOYSA-N 308.179 3.479 0 40 DGAB CC(C)Cc1nc(C(=O)N2CCc3ccc(O)cc3C2)cs1 63809872 LPPMGNDZWFJILU-UHFFFAOYSA-N 316.426 3.246 0 40 DGAB CC(C)(C)C(=O)NCc1cccnc1-n1cnc2ccccc21 65575294 AIOGGEGUJQCXDP-UHFFFAOYSA-N 308.385 3.083 0 40 DGAB Cc1ccc2cccc(NS(=O)(=O)c3cccc(F)c3)c2n1 66587601 XOPUJLYMSUURPV-UHFFFAOYSA-N 316.357 3.483 0 40 DGAB CC(C)(C)c1ccc(=O)n(CN(Cc2ccsc2)C2CC2)n1 66793199 VEOVRHRRIPNCLQ-UHFFFAOYSA-N 317.458 3.224 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1ccc(Cl)s1 68727107 GAMKOMUPPBECHF-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB CCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 69172255 YCGXLRGDQOKFPF-STQMWFEESA-N 310.388 3.344 0 40 DGAB Cc1cccc([C@H]2C[C@@H]2C(=O)Nc2cccc(C(N)=O)c2C)c1 69419095 KDOPLXZKVFMMDI-CVEARBPZSA-N 308.381 3.145 0 40 DGAB CC(C)Oc1cc(C(=O)N2CCSCC2)cc2occc12 71195362 JKBURRKFUKGWFC-UHFFFAOYSA-N 305.399 3.409 0 40 DGAB CC(C)CCNC(=O)[C@@H](NC(=O)C1CCC(C)CC1)C(C)C 71787458 TXFLUFVSGUCODJ-GPANFISMSA-N 310.482 3.116 0 40 DGAB C[C@@H](CC[C@@H]1CCCO1)NC(=O)NCc1cc(F)ccc1F 71856676 FDIRWFHVGHKBSD-FZMZJTMJSA-N 312.360 3.112 0 40 DGAB C[C@@H](c1c(F)cccc1F)N1CCN(c2ccccn2)CC1 71948883 MVESJHABYSRETA-ZDUSSCGKSA-N 303.356 3.243 0 40 DGAB C[C@H](c1ccccn1)N1CCC(NC(=O)OC(C)(C)C)CC1 72203850 AYFNPRZQJBDNGG-CYBMUJFWSA-N 305.422 3.132 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1cccc(Oc2ccccc2C(N)=O)c1 72309385 IMSGGSDXLQKGES-ABAIWWIYSA-N 310.353 3.172 0 40 DGAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1cccnc1 72403830 PALUELFIGNVJCK-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 73656819 SVRFXOKOXZLDFC-VXGBXAGGSA-N 314.426 3.299 0 40 DGAB O=C(NCc1cccc2ccccc12)[C@H]1COc2ccccc2O1 74376626 BHUPXKBSBKGIRW-LJQANCHMSA-N 319.360 3.296 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2ccc3[nH]c(C)nc3c2)c1 74705302 DQEVBERGJGVCSV-UHFFFAOYSA-N 308.341 3.082 0 40 DGAB O=C(NC[C@](O)(c1ccco1)C1CC1)c1c(F)cccc1Cl 75154897 VOOQCKBMLIFCPF-MRXNPFEDSA-N 323.751 3.100 0 40 DGAB CCn1ncc2c1CCC[C@@H]2N[C@H](C)c1nc(C(C)C)no1 76047075 CWROFAJSQKOSTP-YPMHNXCESA-N 303.410 3.138 0 40 DGAB Cc1[nH]c(C(=O)N2CCCC2(C)C)c(C)c1C(=O)OC(C)C 77353900 QOVJUYOMUNXOKR-UHFFFAOYSA-N 306.406 3.211 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N[C@H]1CCc2c(F)cccc21 79320611 IVSPHKCFVBILHK-HWPZZCPQSA-N 315.392 3.083 0 40 DGAB Cc1ncsc1C(=O)OCCN1CCCc2ccccc21 84065671 OXUCLYTZIMAXHG-UHFFFAOYSA-N 302.399 3.061 0 40 DGAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccccc1Br)C1CC1 84636344 QNYVOFSWXUJYNV-ZWKOPEQDSA-N 308.219 3.467 0 40 DGAB COC(=O)c1cc(N2CCC[C@H]2c2cccc(OC)c2)ccn1 89469924 KMEIMNPVHUFMHC-KRWDZBQOSA-N 312.369 3.218 0 40 DGAB O=C(Nc1ccc(NCc2csc(C3CC3)n2)cn1)C1CC1 89794283 ZURCCXXPMDSPFV-UHFFFAOYSA-N 314.414 3.376 0 40 DGAB O=C(COCc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1 89836676 ROSGUBKZIPXQSZ-UHFFFAOYSA-N 319.744 3.194 0 40 DGAB c1cc2occc2c(N2CCC[C@@H](c3nncn3C3CC3)C2)n1 91627746 CLDIOTJOYIPLJO-GFCCVEGCSA-N 309.373 3.138 0 40 DGAB CC(C)(C)n1cc(CN2CCO[C@@H](c3cccc(F)c3)C2)cn1 92975891 WBTTUNMFFBREMZ-QGZVFWFLSA-N 317.408 3.351 0 40 DGAB CCCCc1noc([C@H](C)N2CCc3c(ncn3C3CC3)C2)n1 95373397 JLOWUSPURPCUGM-LBPRGKRZSA-N 315.421 3.063 0 40 DGAB O=C(N[C@H](CCCO)c1ccccc1)c1cccc2cc[nH]c12 95445714 YRODYSXJDMIPHR-QGZVFWFLSA-N 308.381 3.412 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)s2)C1 95961902 XKMKDQCSNLPPDI-VXGBXAGGSA-N 319.517 3.351 0 40 DGAB O=C(c1ccncc1)N(c1cccc(F)c1)C1CCOCC1 95991105 GAMGOCOWZIUKBI-UHFFFAOYSA-N 300.333 3.047 0 40 DGAB CN1C[C@@H](c2ccccc2)C2(CCN(Cc3ccco3)CC2)C1=O 96100279 IIGPUBGFLMPJLK-SFHVURJKSA-N 324.424 3.118 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N1c2ccccc2C[C@H]1C 96659692 YLCHEVTWYSKCQI-GFCCVEGCSA-N 305.374 3.274 0 40 DGAB CC[C@H](NCc1ccc(N2CCCC2)nc1)c1cnn(CC)c1 97014416 OEGPUOCLBVGHHM-KRWDZBQOSA-N 313.449 3.139 0 40 DGAB Cc1ncccc1OCC(=O)N1CCC[C@H]1c1cccs1 97082612 QZLBVYSDWPITMK-ZDUSSCGKSA-N 302.399 3.194 0 40 DGAB CCCc1cc(NC(=O)NC[C@H](C)c2nc(C)cs2)n(C)n1 97113720 WBLSYAIRTJUARE-JTQLQIEISA-N 321.450 3.063 0 40 DGAB COc1cc(Br)cc(OC)c1OCc1ccccn1 97148479 UELNOJJYCUSLBM-UHFFFAOYSA-N 324.174 3.440 0 40 DGAB Cc1cccc(N2CCC[C@H](CNC(=O)c3ccccc3)C2)n1 97163352 NFMMJQNXXBMSEK-MRXNPFEDSA-N 309.413 3.036 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](N(C)c3ccccc3)C2=O)cc1 100852167 CJJKAUOIGYHAKK-QGZVFWFLSA-N 308.381 3.017 0 40 DGAB CCOc1ccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106519759 LWPHRFLXYGBXNO-YRBFXIGRSA-N 317.429 3.405 0 40 DGAB CC[C@H](C)Oc1ccc(NC(=O)NCC2(C)OCCCO2)cc1 192208150 VARPHTAQJCKGRF-ZDUSSCGKSA-N 322.405 3.139 0 40 DGAB COC[C@](C)(NCc1ccc(O)c(OC)c1)c1ccccc1 194992996 XKZIDWHDMHBMRP-SFHVURJKSA-N 301.386 3.052 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)NCC(C)(C)C)n1 225817264 XWGFORPPYZIAEZ-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB Cc1cc(N2CCCCCC2)nc(NC(=S)NC(C)(C)C)n1 225896222 OXJRBSHNUOZDCM-UHFFFAOYSA-N 321.494 3.250 0 40 DGAB Fc1cccc(CNCc2ccnn2CC(F)(F)F)c1F 256053949 UHRZYNDYOPUSOI-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB Cc1c[nH]c([C@H]2CCN(Cc3ccccc3N3CCCC3)C2)n1 257220431 DKVCBFCYIGTKKN-KRWDZBQOSA-N 310.445 3.308 0 40 DGAB Nc1nccc([C@H]2CCCCN2Cc2ccc(F)c(F)c2)n1 257261315 LGRQDDCHIXNJNK-OAHLLOKOSA-N 304.344 3.064 0 40 DGAB Cc1nc([C@H]2CCCCN2Cc2cscn2)cc2cncn12 257267209 MGJPHSHIATZDQL-MRXNPFEDSA-N 313.430 3.221 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 257319863 VUJDOJQOSPEFOC-NSHDSACASA-N 305.328 3.016 0 40 DGAB O=C([C@H]1CC=CCC1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830824 NRXWXSINXWICCG-JYJNAYRXSA-N 312.413 3.339 0 40 DGAB O=C(Nc1ccc(Nc2ncccn2)cc1)c1ccc(O)cc1F 390835418 NFHNEEYNGIDSJD-UHFFFAOYSA-N 324.315 3.317 0 40 DGAB CCN1C(=O)/C(=C\c2ccc(C(=O)OC)cc2)c2ccccc21 409117814 OFLYWDXTXCBGPG-VBKFSLOCSA-N 307.349 3.380 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccccc1F 409241656 LFIXXCTXXYOBKN-ZHACJKMWSA-N 301.317 3.495 0 40 DGAB CCc1nocc1CSc1nnc(-c2ccco2)n1CC 521394498 ABVRMLONTPZSJI-UHFFFAOYSA-N 304.375 3.401 0 40 DGAB CC(=O)Nc1cc(C(=O)N[C@H]2CCCC(F)(F)C2)ccc1C 532631070 PQGTYOYGKAPMNB-ZDUSSCGKSA-N 310.344 3.261 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)o1)c1noc2c1CCCC2 575609398 BJJDNAODFODHLN-UHFFFAOYSA-N 312.325 3.336 0 40 DGAB CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@H](CCF)C1 952852436 UWKVINWCFOVNFO-RHSMWYFYSA-N 321.440 3.030 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(Cc3c(C)noc3C)C2)n1 1849485364 GGLNVPZOGSUEMT-MRXNPFEDSA-N 315.417 3.286 0 40 DGAB CC(C)c1ccc(-n2ccn(CC3CCCC3)c(=O)c2=O)cc1 1888930690 PRKYSVKETNRJGQ-UHFFFAOYSA-N 312.413 3.313 0 40 DGAB CN(C)c1ncn(Cc2c(Cl)cccc2Cl)c2ncnc1-2 204158 IOTBXDSQHQPUNI-UHFFFAOYSA-N 322.199 3.199 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)CCc1ccccc1 382676 NULAPWXFYGRINF-UHFFFAOYSA-N 310.397 3.396 0 40 DGAB CCOc1ccccc1NC(=O)c1cccc(OC)c1OC 383697 YEUNJFAGNYAMKO-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB C[C@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1 416199 LXBWUUSXBZGCOB-JTQLQIEISA-N 323.443 3.291 0 40 DGAB CCOc1ccc2c(c1)CN(c1ccc(NC(C)=O)cc1)CO2 541452 NUNNNXXPGZJGGQ-UHFFFAOYSA-N 312.369 3.400 0 40 DGAB O=C(c1cccnc1)[C@@H](CCc1ccccn1)c1ccccn1 1562922 XBMDTOXOSDJIGO-KRWDZBQOSA-N 303.365 3.471 0 40 DGAB Cc1cc(Cl)ccc1OCCCC(=O)NC1=NCCS1 2091865 ABNHJSFQAQDVHI-UHFFFAOYSA-N 312.822 3.026 0 40 DGAB Cc1cc(C)cc(O[C@H](C)C(=O)NC(=O)Nc2ccccc2)c1 2380877 CZWRDRXEHVIQLY-CQSZACIVSA-N 312.369 3.419 0 40 DGAB C[C@H]1CN1C(=O)c1ccc(-c2ccc(C(=O)N3C[C@@H]3C)cc2)cc1 4802269 FMIDQOJJFFHKGV-KAJWEHKCSA-N 320.392 3.042 0 40 DGAB COc1cccc(-c2ccc(=O)n(Cc3ccccc3F)n2)c1 5399958 BSVMFHQDHBUHSN-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB CCn1c(S)nnc1CSc1nc2ccccc2s1 6343564 PLNMBESTBNRYQM-UHFFFAOYSA-N 308.457 3.489 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1CCCC[C@@H]1CO 6862931 XLWHKBQJNFAUPK-SNVBAGLBSA-N 303.189 3.372 0 40 DGAB O=c1c(NCc2ccc(Cl)cc2)nccn1-c1ccccc1 6914831 LOUNZDXIHLUACE-UHFFFAOYSA-N 311.772 3.498 0 40 DGAB CCOC(=O)CSCC(=O)Nc1c(C)cccc1C(C)C 7506523 OMPRYNGUFHXGHS-UHFFFAOYSA-N 309.431 3.353 0 40 DGAB Fc1ccc(CNn2c(-c3ccccc3)n[nH]c2=S)cc1 7601464 KYABWJGBIFWAAR-UHFFFAOYSA-N 300.362 3.490 0 40 DGAB COc1cc(N[C@H](C)C(=O)N(C)C2CCCCC2)cc(OC)c1 8194393 ZIYFMLNZWKITEN-CYBMUJFWSA-N 320.433 3.295 0 40 DGAB CC1CCN(Cc2csc(NC(=O)c3ccccn3)n2)CC1 9502700 ROKJMDATRWPZPI-UHFFFAOYSA-N 316.430 3.022 0 40 DGAB Cc1ccc(N2C[C@@H](C(=O)NC3CCCC3)CC2=O)cc1Cl 9667452 KWZXGAKISKDFFE-LBPRGKRZSA-N 320.820 3.060 0 40 DGAB CSc1cccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)c1 9913289 FJXRREUADKBCMZ-GFCCVEGCSA-N 314.410 3.224 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OC 10040714 AGJGYUFHDIMVAJ-UHFFFAOYSA-N 301.342 3.442 0 40 DGAB O=C1C[C@H](c2ccccc2O)Cc2c1cnn2-c1ccccc1 10156797 HWMHQOJPWZXGBT-CYBMUJFWSA-N 304.349 3.491 0 40 DGAB NC(=O)c1ccc(CN(Cc2ccco2)Cc2ccco2)cc1 11471111 YJDCSWLIPXRXDB-UHFFFAOYSA-N 310.353 3.174 0 40 DGAB CCC(CC)C(=O)N[C@H]1CCCc2nc(-c3ccncc3)ncc21 12241902 RVUDUVJJEZREMX-KRWDZBQOSA-N 324.428 3.468 0 40 DGAB Cc1nc(C(=O)NCCC2CCCC2)nn1-c1ccc(F)cc1 13008599 TWGVISMLTDKHGX-UHFFFAOYSA-N 316.380 3.025 0 40 DGAB CSC1=NN(C(C)=O)[C@@H](c2ccc3ccccc3n2)S1 13214528 HEOJSIMNWJWQDZ-CYBMUJFWSA-N 303.412 3.463 0 40 DGAB COCCN(CCOC)C(=O)c1ccc(C2CCCCC2)cc1 14170857 QNQVGZFLRNCTRA-UHFFFAOYSA-N 319.445 3.469 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3C)cc1C 17052655 QWVFCWHHXUDUHP-UHFFFAOYSA-N 308.381 3.465 0 40 DGAB Cc1csc(C(=O)N2CCC(c3cc(O)cc(C)n3)CC2)c1 19124482 HNHFOXLEJGECAM-UHFFFAOYSA-N 316.426 3.485 0 40 DGAB C[C@H](C1CC1)n1nccc1NC(=O)COc1ccc(F)cc1 21149214 CDNYPPNFLIQYRT-LLVKDONJSA-N 303.337 3.011 0 40 DGAB O=C(Nc1ccccc1)c1cc(-c2ccc3c(c2)OCCO3)on1 21786122 HDEAOOJPHZTPTK-UHFFFAOYSA-N 322.320 3.365 0 40 DGAB CCN(CC)Cc1ccc(CNC(=O)c2occc2C)cc1 21960342 FTNLJKWOYFZNQH-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB Cn1ncc2c(Oc3ccc(F)cc3Br)ncnc21 21970397 PVEBTOVFLUKNIC-UHFFFAOYSA-N 323.125 3.057 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1ccccc1Nc1ccccc1 24476614 YUQGZFSKGDXCPR-UHFFFAOYSA-N 320.396 3.436 0 40 DGAB Cc1cc(C(=O)NCc2cccnc2)c(C)n1Cc1ccco1 25377713 NLSRGBUZPMOXQF-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(C)nc3c2c(C)nn3C)cc1 30898380 HZBYNQMSPCQNKX-UHFFFAOYSA-N 322.412 3.166 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)Nc1ccc(F)cc1 31036483 IPHGFASLQCNQDH-AWEZNQCLSA-N 316.332 3.129 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(-c2cc[nH]n2)c1 32828126 NSGLMXDJOZBZLU-CYBMUJFWSA-N 307.353 3.483 0 40 DGAB CC[C@H](C)NC(=O)[C@H]1CCCN(c2nc3ccccc3s2)C1 32933153 KZCFRNSWFPZAKJ-STQMWFEESA-N 317.458 3.427 0 40 DGAB COc1ccc(CNC(=O)NCc2cc(C)c(O)c(C)c2)cc1 32936993 QNFNPSLOAUOJQX-UHFFFAOYSA-N 314.385 3.017 0 40 DGAB CC1CCN(c2nccnc2Oc2ccc(C(=O)O)cc2)CC1 32951431 YZRQPNPHZVXFQO-UHFFFAOYSA-N 313.357 3.203 0 40 DGAB Cn1c(SCCN2CCCCC2)nnc1-c1ccc(F)cc1 36612098 JTFYWXBKAAZWCV-UHFFFAOYSA-N 320.437 3.199 0 40 DGAB CCCCNC(=S)NCc1ccccc1CN(C)C(C)C 36847613 WIPDCVGWLFKGKR-UHFFFAOYSA-N 307.507 3.291 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)c1ccsc1 40089446 IXDCBLYFOYWSRL-UHFFFAOYSA-N 302.399 3.395 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H](C)c2cccs2)n1 40120700 PKVZSAQTDGAPTB-RISCZKNCSA-N 320.462 3.258 0 40 DGAB COC(=O)C1(NC(=O)CCCc2ccccc2)CCCCC1 40132521 ZCHFERHBMBZPOS-UHFFFAOYSA-N 303.402 3.001 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3cnsn3)n2)cc1 40150773 BVQPHSUEEKKQCV-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB Cn1c(C(=O)NCCc2c[nH]c3ccccc23)cc2occc21 40309987 INNDATMDHWZNFS-UHFFFAOYSA-N 307.353 3.225 0 40 DGAB biogenic O=C(CSc1ccc(C(F)(F)F)cn1)Nc1cccnc1 40461212 HOVWMRFOKDMADP-UHFFFAOYSA-N 313.304 3.226 0 40 DGAB CCCCNC(=O)N1CCC[C@H](c2nc([C@@H](C)CC)no2)C1 41123203 RVVYTSQQJPQLIA-STQMWFEESA-N 308.426 3.272 0 40 DGAB Cc1cccc(N2CCN(c3ncnc4c(F)cccc34)CC2)c1 41475887 VYJVBQFLQWGFEK-UHFFFAOYSA-N 322.387 3.404 0 40 DGAB S=C(NC[C@H]1CCCO1)Nc1ccc(OC2CCCC2)cc1 44665516 CTBCYMURTGAKRZ-MRXNPFEDSA-N 320.458 3.473 0 40 DGAB Cc1cnc(NC(=O)c2csc(NCc3ccco3)n2)s1 44918396 JTJZHXWLIAGIOQ-UHFFFAOYSA-N 320.399 3.365 0 40 DGAB COc1ccccc1OCCN1CCC[C@@H]1c1cc(C)no1 44975826 VYADMCLLLDQWTI-CQSZACIVSA-N 302.374 3.208 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1C[C@H](C)OC[C@@H]1C 45448607 NDRLRFSVHOZZJP-UWVGGRQHSA-N 322.455 3.429 0 40 DGAB CCc1oc2ccccc2c1/C=C/C(=O)N1CCCn2ncnc21 48354641 JXDDBEKARSZAHE-CMDGGOBGSA-N 322.368 3.037 0 40 DGAB COc1ccccc1-c1nnc([C@H]2CCN(CC(C)C)C2)o1 49170022 OIFNPRBOVNOIQA-ZDUSSCGKSA-N 301.390 3.191 0 40 DGAB biogenic,in-vitro COc1cccc(CN(C)[C@@H](C)c2nc(C3CC3)no2)c1OC 51475803 RZVAGAWSOXMMRX-NSHDSACASA-N 317.389 3.157 0 40 DGAB CCc1nc(CC(=O)Nc2cccc(N3CCCC3)c2)cs1 55290005 GJJBTZTXYXFSQS-UHFFFAOYSA-N 315.442 3.487 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@@H](C)Nc2ncnc3sccc23)C1 58173596 WGOXKOHSIWMOAW-FRRDWIJNSA-N 304.463 3.470 0 40 DGAB COc1cccc(CS[C@@H](C)C(=O)Nc2cc(C)no2)c1 58378291 YHXXSDWKMJVOBN-NSHDSACASA-N 306.387 3.252 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1C[C@@H](C)C[C@@H](C)C1)c1ccc(C)cc1 62580717 GSDDTWPRKZHYRY-DAYGRLMNSA-N 316.445 3.067 0 40 DGAB Cc1cc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)no1 64811449 LCXAGRDLIGMNDL-FQEVSTJZSA-N 303.305 3.451 0 40 DGAB Cc1cccc(-c2nnc(Cc3nc(-c4ccncc4)no3)o2)c1 65185523 TURRIIYEXZFIIU-UHFFFAOYSA-N 319.324 3.081 0 40 DGAB COc1ccccc1SCC(=O)NCc1ccccc1F 65621758 HVAJMRRPLMJMCA-UHFFFAOYSA-N 305.374 3.243 0 40 DGAB c1csc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)c1 69510984 IBQSZMOSORCGOT-LBPRGKRZSA-N 316.455 3.173 0 40 DGAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1ccc(=O)n(C)c1 69564687 MZXQEPVVSDVCSI-MSOLQXFVSA-N 324.424 3.184 0 40 DGAB CCc1cc(SCc2cc(F)ccc2OC)n2ncnc2n1 69740619 MWBMTKZFRQMQSH-UHFFFAOYSA-N 318.377 3.127 0 40 DGAB Cc1csc(C(=O)NCC2CCN(c3ccncc3)CC2)c1 70928354 JFOALQUBNIQOMG-UHFFFAOYSA-N 315.442 3.098 0 40 DGAB CSc1nccc(N[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203276 OVMMVKZTEOEFIN-LLVKDONJSA-N 324.450 3.010 0 40 DGAB CC(C)(C)c1cc(NC(=O)Nc2cnn(CC(F)F)c2)no1 72944616 IZDCOBWFGWABCP-UHFFFAOYSA-N 313.308 3.078 0 40 DGAB CCn1cc(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)cn1 74435530 OQJIKECJUKOAGG-ZDUSSCGKSA-N 301.390 3.181 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)c1ccc(C)[nH]c1=O 75118170 FGZRVROGPLDGMC-UHFFFAOYSA-N 310.806 3.061 0 40 DGAB COc1cccc(N2C[C@@H](c3nc4ccccc4o3)CC2=O)c1 76555362 VDXCTDSXLHBWHX-LBPRGKRZSA-N 308.337 3.357 0 40 DGAB CCN(C)[C@@H](C(=O)N(C)Cc1csc(C)n1)c1ccccc1 78402380 OPNIBWOZWVBYQX-MRXNPFEDSA-N 317.458 3.103 0 40 DGAB C[C@H](NCc1ccco1)c1cc(F)ccc1N1CCN(C)CC1 78553316 WBCWDGWVYPPERP-AWEZNQCLSA-N 317.408 3.021 0 40 DGAB COc1c(Cl)cccc1NC(=O)NCC(C)(C)C[C@@H](C)O 78936816 PVXIIJCUQKTDDP-SNVBAGLBSA-N 314.813 3.267 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2sc(C)cc2OC(F)F)o1 79350274 WTCGDBIBXCLDCY-ZCFIWIBFSA-N 318.301 3.267 0 40 DGAB CC(C)C[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2cccs2)C1 84456953 ZIABCUFHGNSRHT-UONOGXRCSA-N 322.474 3.151 0 40 DGAB CO[C@H](C)c1nc(COc2ccccc2NC(C)=O)cs1 84667572 KPDGBEPCPUDMSO-SNVBAGLBSA-N 306.387 3.388 0 40 DGAB Cn1cccc1CNC[C@@H]1CCCn2cc(C(C)(C)C)nc21 89725147 GJENHFKYOGKLBQ-AWEZNQCLSA-N 300.450 3.186 0 40 DGAB O=C(CCCn1ccnc1)Nc1c(F)cccc1NC1CC1 89768175 DOWKCUFBWSQNJL-UHFFFAOYSA-N 302.353 3.015 0 40 DGAB O=C(Oc1cccc(N2CCCC2=O)c1)c1ccc(Cl)cn1 89780645 HALNFWOBSBGAKR-UHFFFAOYSA-N 316.744 3.081 0 40 DGAB O=C(c1ccccc1Cn1cncn1)N1CCC2(CCCCC2)C1 95403600 GAGJVOLGWIJSQL-UHFFFAOYSA-N 324.428 3.123 0 40 DGAB COC[C@@H](NCc1cccc(NC(=O)C2CCCC2)c1)C1CC1 95420595 AQPQFNISEDXAGV-GOSISDBHSA-N 316.445 3.330 0 40 DGAB Cc1c(C[S@@](C)=O)cccc1NCc1cccc2c1OCO2 95429137 ZTGHTMLWKYWDIP-QFIPXVFZSA-N 317.410 3.214 0 40 DGAB CC(C)N(CCc1nccs1)C(=O)c1ccc2[nH]cnc2c1 95450588 WISGPYOOQGCRKK-UHFFFAOYSA-N 314.414 3.113 0 40 DGAB Cc1ccc(-c2noc(CN3CCC(n4ccnc4)CC3)n2)cc1 95955984 UELDGTWYXXPEFZ-UHFFFAOYSA-N 323.400 3.079 0 40 DGAB CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(OC)cc1)CCO2 96051873 KRNWIHBREPCKPX-PKOBYXMFSA-N 319.445 3.103 0 40 DGAB CN(C)c1cccc([C@H]2CCCN2C(=O)CC[C@@H]2CCCO2)c1 96410184 IQGPCFUYANHWLD-ZWKOTPCHSA-N 316.445 3.375 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)CC[C@@H]1CCOC1 97145687 VYBZCMLQCCTPIN-GDBMZVCRSA-N 317.429 3.048 0 40 DGAB CN(Cc1cccnc1)C(=O)Nc1cc(Cl)cc2c1OCC2 97379756 HDVHFNBDYSSOFI-UHFFFAOYSA-N 317.776 3.334 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 101009432 QCKPIKBKCZBMEY-MHWZDGSBSA-N 321.298 3.407 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 102402462 LSMRYOJBUVLCQT-IHRRRGAJSA-N 317.385 3.003 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2C[C@]3(C)CC[C@@H]2C3(C)C)cc1 104219734 RXLBHJGTNPNLEM-ZOBUZTSGSA-N 307.459 3.488 0 40 DGAB COc1cc(Cl)ccc1C(=O)N1CCC[C@@H]1[C@H]1CCCN1C 106779253 RSAYYYLRMFCXQR-HUUCEWRRSA-N 322.836 3.047 0 40 DGAB O=C1[C@H]2[C@@H]3C[C@@H](c4ccccc4)[C@@H](C3)[C@@H]2C(=O)N1c1nccs1 136063410 SKUIOZKPGFUHDJ-SEBNEYGDSA-N 324.405 3.072 0 40 DGAB Cc1csc(C(=O)NCC[C@@H](CCO)c2ccccc2)c1 206624590 RBFCEUPGTPPZSZ-HNNXBMFYSA-N 303.427 3.343 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(C)cc1 224093615 XQVFVMFRSHFJEC-CQSZACIVSA-N 319.426 3.184 0 40 DGAB COc1ccc(CCC(=O)NCCCc2ccco2)cc1C 224411774 ORPBUWOBLCZRGC-UHFFFAOYSA-N 301.386 3.278 0 40 DGAB Cc1ccc(C(C)C)c(OCC(=O)N(C)[C@@H]2CCCC[C@H]2O)c1 224822939 YPDFRBASYSAUOU-IAGOWNOFSA-N 319.445 3.259 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(N3CCOCC3)cc2)c(C)c1 225016278 VKGPALBNJZMWFA-UHFFFAOYSA-N 324.424 3.321 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCc1cccc(F)c1)c1ccccc1 227115049 GOVACRHGHMRMSP-OAHLLOKOSA-N 315.344 3.091 0 40 DGAB OCC1CCN(c2ccc3ccc(Br)cc3n2)CC1 357308365 DDYLHPLCGDKVFH-UHFFFAOYSA-N 321.218 3.206 0 40 DGAB CCc1ncoc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1583983946 BSULTOLCCQGVKX-UHFFFAOYSA-N 310.357 3.292 0 40 DGAB Clc1ccc([C@@H]2C[C@@H](c3ccccc3)Nc3nnnn32)cc1 113672 BPSAFOAGAPTQHS-GJZGRUSLSA-N 311.776 3.473 0 40 DGAB CC(=O)NC(C)(C)c1noc(C2CCC(n3cccc3)CC2)n1 72546751 IZBGSCZLWZXJFH-UHFFFAOYSA-N 316.405 3.141 0 40 DGAB CCC(=O)Nc1cc(C(=O)OCC(=O)C(C)(C)C)ccc1C 578958 GJQTUWQJVKJHRO-UHFFFAOYSA-N 305.374 3.116 0 40 DGAB CC[C@H](NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccccc1 1002712 NXKDKEVNETWTOP-YXMSTPNBSA-N 301.386 3.001 0 40 DGAB O=C(CCc1ccncc1)Nc1cc(CCc2ccccc2)n[nH]1 77036675 FWQJBMXKVOEIKT-UHFFFAOYSA-N 320.396 3.161 0 40 DGAB Cc1nc(CNc2nnc(CCc3ccccc3)o2)cs1 97045483 DQZCGFFPKVAWFF-UHFFFAOYSA-N 300.387 3.232 0 40 DGAB CC(C)NC(=O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814913 VBZAOZYYNITHDH-GFCCVEGCSA-N 301.173 3.011 0 40 DGAB CC/C=C/C(=O)OCC(=O)N[C@H](C)c1ccc2c(c1)CCCC2 23328980 CEEJSAHKGOGIQL-CEOUIICOSA-N 315.413 3.252 0 40 DGAB O=C(O)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)Nc1ccc(F)c(Cl)c1 4614595 ZGTPSBXINNLAJG-BCWBERDBSA-N 311.740 3.165 0 40 DGAB CC[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CCO1 23894124 GRKXYPUQHPFBAL-MRXNPFEDSA-N 323.392 3.169 0 40 DGAB CCn1c(S[C@@H](C(N)=O)c2ccccc2)nc2ccccc21 8719711 ODLBJCXKCCFJTQ-OAHLLOKOSA-N 311.410 3.375 0 40 DGAB Cc1ccc(C(=O)O[C@H]2CCS(=O)(=O)c3sccc32)cc1 1393988 VLGOTRLFCVIVAE-ZDUSSCGKSA-N 322.407 3.132 0 40 DGAB CN(Cc1nccn1C)C(=O)Cc1ccc(-c2ccccc2)cc1 12507169 QOZZUPXAJKHCBZ-UHFFFAOYSA-N 319.408 3.288 0 40 DGAB COc1ccc2nc(-c3ccc4c(c3)OCO4)cc(C(=O)O)c2c1 1459147 ZUDVFDNJNAOVQK-UHFFFAOYSA-N 323.304 3.337 0 40 DGAB COc1ccc(/C=C/C(=O)N2C[C@H](C)C[C@@H](C)C2)cc1OC 1466500 DOFNLCXGUFDUKO-RTIZMKJZSA-N 303.402 3.222 0 40 DGAB O[C@H]1C[C@@H](C2CCCCC2)N(C[C@H](O)c2ccc(Cl)cc2)C1 108159936 POSTXSRYADKAGM-BZSNNMDCSA-N 323.864 3.389 0 40 DGAB O=C(NCCc1cn2ccccc2n1)c1ccc(Cl)cc1F 12670150 LAFDBAQGNVVKLR-UHFFFAOYSA-N 317.751 3.099 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)[C@@H](C)Cc3cccs3)C2)no1 72295334 FTWBECJBCIHMJX-AAEUAGOBSA-N 319.430 3.024 0 40 DGAB O=C(NCCc1cccs1)Nc1ccccc1-n1cccn1 48150077 BSEFOPMXDNDLSV-UHFFFAOYSA-N 312.398 3.298 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)CCOCc1ccccc1 58218315 UDVNVIIIOWQRBH-UHFFFAOYSA-N 323.396 3.128 0 40 DGAB c1ccc(Oc2ccc(CNc3ncnc4[nH]cnc34)cn2)cc1 58217246 XNNBUTMEVNNUTE-UHFFFAOYSA-N 318.340 3.152 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2Cc2ccccc2)C1 48287051 SUFHBUXYCQHAMA-ZHALLVOQSA-N 314.473 3.198 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2ccc3nc(C)[nH]c3c2)c1 10896061 PARLDOGHBNPTNC-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB COc1ccc2c(c1)c1ncnc(N3CCC[C@H](C)C3)c1n2C 2364949 BZPZXJHVBRCMSD-LBPRGKRZSA-N 310.401 3.366 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)[C@H](C)CO1 45525058 AMTPVOARFAKGHQ-ZJUUUORDSA-N 308.428 3.121 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(C)cc2)cc1 20492845 YDYRZSDQQCAQGI-AWEZNQCLSA-N 319.426 3.184 0 40 DGAB CN(C(=O)c1ccnc(-n2ccnc2)c1)[C@H]1CCc2ccccc21 48317441 HJQKGOOFTUAELV-KRWDZBQOSA-N 318.380 3.027 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)Cc1ccccc1NC2=O 51943336 IMTSIRGIMYGZCV-UHFFFAOYSA-N 316.401 3.199 0 40 DGAB CC(=O)C1(C(C)=O)[C@@H]2CC[C@@H]1c1c(F)c(F)c(F)c(F)c12 101049682 FKMRWILCPVDYRN-HTQZYQBOSA-N 300.251 3.382 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)cc1)C1=Cc2ccccc2OC1 29277728 UUYLQMYEKNZCRA-UHFFFAOYSA-N 317.348 3.287 0 40 DGAB COCCn1nc(C)c(NCc2cnc3ccsc3c2)c1C 97137780 PLWZOTWQGKPGQX-UHFFFAOYSA-N 316.430 3.368 0 40 DGAB O=C(OC/C=C/c1ccccc1)c1ccccc1N1CCOCC1 64196184 SSQHLGZTVUBQLF-RMKNXTFCSA-N 323.392 3.393 0 40 DGAB COc1ccc([C@H]2CC(c3ccccc3)=NN2C(C)=O)c(OC)c1 4194583 NIJUSBFWIMOEIS-GOSISDBHSA-N 324.380 3.401 0 40 DGAB CN(Cc1cnc2cnccn12)[C@@H](c1ccc(F)cc1)C1CC1 93596565 KWVWJHRRMLAWED-GOSISDBHSA-N 310.376 3.452 0 40 DGAB c1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 65467221 ATYDNINEHFWTFB-AWEZNQCLSA-N 308.385 3.157 0 40 DGAB CCCC[C@@H]1CCC[C@@H]1NC(=O)Cn1c(CCC)n[nH]c1=S 65575978 JYMJQDNPZZRFIM-OLZOCXBDSA-N 324.494 3.368 0 40 DGAB O=C(Cc1cccc2cccnc12)Nc1ccc2cn[nH]c2c1 65520169 SABMDWLLTCZGDU-UHFFFAOYSA-N 302.337 3.292 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@H]1CCCc2ccccc21 65543054 DQWKSOSNLXYPHB-SJCJKPOMSA-N 311.429 3.334 0 40 DGAB Cc1oc(C)c(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 9364886 WUNAKMZCMVDTIG-LLVKDONJSA-N 314.341 3.177 0 40 DGAB COc1ccc2oc(=O)c(-c3nc4cc(OC)ccc4[nH]3)cc2c1 4626034 BDNHZVAHQVOFBA-UHFFFAOYSA-N 322.320 3.354 0 40 DGAB O=C(CCc1ccc(OC(F)(F)F)cc1)NCC(F)(F)F 66285361 CSWJSQOYXYXRQN-UHFFFAOYSA-N 315.213 3.196 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccccc3O)no2)cc1 6873299 WXNSGCYYKDCCBK-UHFFFAOYSA-N 310.309 3.308 0 40 DGAB COc1ccccc1CC(=O)Nc1nc2c(s1)C[C@@H](C)CC2 6995148 LIBFQITXHQNBGH-NSHDSACASA-N 316.426 3.458 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1 7050457 SNVNFJLTRCRDDS-UHFFFAOYSA-N 315.398 3.316 0 40 DGAB O=C(NCCc1ccccn1)N(Cc1ccccc1F)C1CC1 67356896 AISLKVNSEOSSNX-UHFFFAOYSA-N 313.376 3.137 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1CC(F)(F)F 7113175 IJCDKAMNWDCTLR-CYBMUJFWSA-N 307.275 3.210 0 40 DGAB CC[C@H](C)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 7307816 ZUGDWVCYNPTYGP-ZETCQYMHSA-N 315.744 3.436 0 40 DGAB Cc1cnc(CNC(=O)N[C@H](C)c2csc(C3CC3)n2)s1 96440214 LERCPUTTWYGULV-SECBINFHSA-N 322.459 3.346 0 40 DGAB c1ccc(-n2ccc(CN[C@@H]3CCOC4(CCCC4)C3)n2)cc1 91063193 XGUKCQMZCDINCS-MRXNPFEDSA-N 311.429 3.454 0 40 DGAB O=C(c1cnccn1)N1CCC(c2nc3ccccc3s2)CC1 8086342 MQAPXPZSKFAUQO-UHFFFAOYSA-N 324.409 3.106 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2Cl)nc1 8195585 VMKFDGZZTLOMLG-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN[C@@H](C)Cn1cccn1 69393325 YMZKSXZDPLEDAP-NSHDSACASA-N 302.403 3.086 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cc2F)nnn1-c1ccccc1 19910903 KFPRCKZHZNUDDD-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CCN(C(=O)Cc1nc(-c2ccco2)oc1C)c1cccnc1 69595242 WKVCZOWTVTXICL-UHFFFAOYSA-N 311.341 3.234 0 40 DGAB O=C(C[C@H]1CCCO1)NCCCO[C@@H]1CCCc2ccccc21 70874898 CLFPMDCAWXDJTL-SJLPKXTDSA-N 317.429 3.156 0 40 DGAB C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccs1 95348762 YJLIYSTYDMDGIF-LLVKDONJSA-N 302.378 3.319 0 40 DGAB Cc1ccc(-c2nnc(CN3CCCC[C@H]3c3cn[nH]c3)o2)cc1 84174718 XEIYWADPFYVIGQ-INIZCTEOSA-N 323.400 3.495 0 40 DGAB O=C(Nc1cc(-c2ccsc2)n[nH]1)c1ccncc1Cl 95405436 KUZYEPDPTCHNGF-UHFFFAOYSA-N 304.762 3.439 0 40 DGAB C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1CO)c1cccs1 95417071 LUAPDFGANKDTCW-DOMZBBRYSA-N 316.426 3.110 0 40 DGAB Cc1nnc(-c2ccccc2NC(=O)CC[C@H]2CC[C@H](C)O2)o1 74244423 XZYVZEBSUMEPDC-WCQYABFASA-N 315.373 3.331 0 40 DGAB Cc1cccc(CN(Cc2ccccc2)C(=O)[C@H]2CCO[C@H]2C)n1 95983312 AQRIWMFEQCEZSH-LPHOPBHVSA-N 324.424 3.344 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)c1ccc2ncccc2c1 95959432 RRKFTDBVTFSMTM-UHFFFAOYSA-N 320.348 3.205 0 40 DGAB Cn1ncc2c(N[C@@H]3c4ccccc4CCC3(C)C)ncnc21 89919509 BOMUVIYWMWSYQH-OAHLLOKOSA-N 307.401 3.489 0 40 DGAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1ccccc1 3035105 YEDJESIABWTDMM-INIZCTEOSA-N 322.364 3.015 0 40 DGAB biogenic Cc1cccc(NC(=O)c2sc(-c3ccncc3)nc2C)n1 71281123 IAFFNQBSAKLZAY-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB Cc1cc(C)cc(NC(=O)Nc2ccnc(C(=O)N(C)C)c2)c1 77722295 GSSOWNSPAUKJMP-UHFFFAOYSA-N 312.373 3.044 0 40 DGAB CCc1ccc([C@H](NC(=O)c2ccn(C)c(=O)c2)C(C)(C)C)o1 71072084 ZOLZZYJWSVMAOJ-INIZCTEOSA-N 316.401 3.058 0 40 DGAB Cc1cc([C@@H](O)CNC(=O)Nc2ccccc2Cl)c(C)o1 1565520265 KRFMQWPKRFOQNE-AWEZNQCLSA-N 308.765 3.405 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)NCc1ccc(F)cc1 32402479 PQKASIDCLUZWDV-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB CCCO[C@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)CC1 78671245 DUVHCMOLYUZXCZ-KRWDZBQOSA-N 304.434 3.174 0 40 DGAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1C 38771451 KCHZSBJOCMITDO-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB COCCOc1cccc(C(=O)Nc2nc(C(C)(C)C)co2)c1 566426907 LPTCLXPAQODHTB-UHFFFAOYSA-N 318.373 3.250 0 40 DGAB CCC(=O)N1CCC[C@@H](c2nnc(-c3ccccc3F)s2)C1 44204378 YSPXTTNTUQFLEO-LLVKDONJSA-N 319.405 3.460 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccc(C)cn1 225584870 POYXCCVPBFAWPK-HNNXBMFYSA-N 320.506 3.331 0 40 DGAB O=C(NC[C@@H](O)c1ccoc1)c1ccc(-c2ccccc2)cc1 75171734 ICKVGWPLWPCJJE-GOSISDBHSA-N 307.349 3.410 0 40 DGAB Clc1cnc(N2CCO[C@@H](c3nccs3)C2)c(Cl)c1 225819028 QNIBMUCUVDNWED-SNVBAGLBSA-N 316.213 3.423 0 40 DGAB Cc1ccc(C[C@H](C)NC(=O)CSCc2ccncc2)s1 96414568 KBLXENBTOKDDRB-LBPRGKRZSA-N 320.483 3.432 0 40 DGAB COc1ccsc1C(=O)N[C@@H](C)CC(=O)c1cccs1 95435147 IAPIPYYGSJLTMU-VIFPVBQESA-N 309.412 3.210 0 40 DGAB COc1cccc(-n2cnnc2SCC[C@H]2CCCC2=O)c1 95407111 ZMUSOKMVEPTGRN-GFCCVEGCSA-N 317.414 3.127 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)c1cc(F)c(F)c(O)c1F 97374757 NHXYVAUIXYQNLK-UHFFFAOYSA-N 320.270 3.221 0 40 DGAB COc1cccc(NC(=O)[C@]2(C)CC(c3ccccc3)=NO2)c1 96192563 KONGAACBJOCJHA-SFHVURJKSA-N 310.353 3.217 0 40 DGAB O=S(=O)(c1ccccc1N1CCC[C@@H](C2CC2)C1)C(F)F 585083415 CENGTTYXRDTDOX-GFCCVEGCSA-N 315.385 3.309 0 40 DGAB Cc1nc2c(NC(=O)CSC[C@H]3CCCCO3)cccc2o1 585124701 NWQAUOLQIMSSDB-GFCCVEGCSA-N 320.414 3.377 0 40 DGAB Cc1nn(C(C)C)cc1CN(C)[C@@H](c1ccccc1)c1nc[nH]n1 585116782 IJBIQDZSSOXWLO-KRWDZBQOSA-N 324.432 3.112 0 40 DGAB CC(C)C[C@@H](C(=O)Nc1cccc(-c2nc[nH]n2)c1)n1cccc1 575443253 REILQYQIECGLHO-INIZCTEOSA-N 323.400 3.499 0 40 DGAB O=C(Nc1cccc2[nH]cnc12)C1=NO[C@@H](c2ccccc2)C1 72288819 MKPVFKPZSLFNJH-OAHLLOKOSA-N 306.325 3.019 0 40 DGAB O=C(CC[S@@](=O)Cc1cccc(F)c1)Nc1ccccc1 58098670 XLISFCPXOUUKFI-NRFANRHFSA-N 305.374 3.103 0 40 DGAB Cc1cc(C)n(CCOC(=O)/C=C/c2ccc(Cl)cc2)n1 59259962 YXQXJMONMMZQBZ-VMPITWQZSA-N 304.777 3.410 0 40 DGAB CC[C@H]1N(C(=O)OCc2ccccc2)CCC[C@]12CCCN2 91303088 JRDBKLGLOKKWDZ-SJLPKXTDSA-N 302.418 3.320 0 40 DGAB Cc1cccnc1NC(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 97378327 FOOZRSRFDBWNFY-HZPDHXFCSA-N 311.385 3.432 0 40 DGAB O=C(NCc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)OCO2 12623740 WWHWJMBSFYJFEW-UHFFFAOYSA-N 323.270 3.364 0 40 DGAB NC(=O)c1cccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)c1 12700004 IYGJDNWKJYFNGH-UHFFFAOYSA-N 312.413 3.331 0 40 DGAB CC(=O)Nc1ccccc1OS(=O)(=O)c1ccc(C)c(C)c1 16091890 WEFUXAPXUCSSKD-UHFFFAOYSA-N 319.382 3.030 0 40 DGAB COc1cccc(/C=C/C(=O)Oc2ccc(-c3nnco3)cc2)c1 6261604 DADBRFXGLNQRQV-BJMVGYQFSA-N 322.320 3.364 0 40 DGAB O=C(CNc1ccccc1OC(F)(F)F)NC1CCCCC1 22811673 XKKYUFXSHZIGPX-UHFFFAOYSA-N 316.323 3.446 0 40 DGAB Cc1ccc(NC(=O)CC2(CC(=O)O)CCCCC2)c(O)c1 6847301 SACUDHPHHMLWQV-UHFFFAOYSA-N 305.374 3.454 0 40 DGAB C[C@H](c1ccccc1)N1CC(Cn2cc(Br)cn2)C1 1889130588 YQVNZWFIKRTQTP-GFCCVEGCSA-N 320.234 3.339 0 40 DGAB COc1cc(CN[C@@H](C)c2ccc(C)o2)cc2c1OCCO2 22794407 SBCNWYOGSFYOTK-LBPRGKRZSA-N 303.358 3.219 0 40 DGAB CCOc1c(Br)cc(C(=O)O)cc1Br 7604049 AEAHIAGEQXNSMO-UHFFFAOYSA-N 323.968 3.309 0 40 DGAB O=C(Cn1ccc2ccccc21)NCc1ccc(C2CC2)nc1 1565523826 XVHUSNWTXWDKAO-UHFFFAOYSA-N 305.381 3.230 0 40 DGAB Cc1cccc(C(=O)Nc2ccc(CC(=O)N3CCCC3)cc2)c1 13714326 FVYGVPFFEFAUSE-UHFFFAOYSA-N 322.408 3.412 0 40 DGAB O=C(NC1CCC(n2cccn2)CC1)c1cccc(Cl)c1 618257415 VSTWUEYVUORXKO-UHFFFAOYSA-N 303.793 3.450 0 40 DGAB Cn1nc(-c2ccncc2)cc1NC(=O)c1cccc(F)c1F 96431410 WHUHUILVGRMWCP-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB CN(Cc1cccs1)C(=O)CN(C)[C@H]1CCc2ccccc21 40049900 BDWGVDOSMAKCMU-KRWDZBQOSA-N 314.454 3.326 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1 44322 CTZLASZXJKOGKZ-ZDUSSCGKSA-N 312.344 3.126 0 40 DGAB c1cnc(-c2nc(CN3CCc4sccc4C3)cs2)nc1 51530920 PMZSCZPMQACUES-UHFFFAOYSA-N 314.439 3.220 0 40 DGAB Cc1ccc(-n2ncc3c(N4CCCCC4)ncnc32)c(C)c1 535954 WEVZMHADUKCQPP-UHFFFAOYSA-N 307.401 3.423 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)on1 53400207 NBDPFOGUKWSGIF-QGZVFWFLSA-N 310.397 3.378 0 40 DGAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1 121383 FOAAVVLCIUVANP-UHFFFAOYSA-N 316.744 3.277 0 40 DGAB CCOc1ccc(NC(=O)[C@@]23CC[C@@H](C2)C(C)(C)C3=O)cc1 352961 AGVMVKZCSSFSJN-SGTLLEGYSA-N 301.386 3.419 0 40 DGAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)n3nc(N)nc3N2)cc1 528099 FJFKHXSUEFNERA-JKSUJKDBSA-N 323.375 3.454 0 40 DGAB Cc1cc(NC(=O)c2noc3c2C[C@@H](C(C)(C)C)CC3)no1 2498150 BGSNJBVRIOSWGY-JTQLQIEISA-N 303.362 3.374 0 40 DGAB O=C(Nc1cccc(Br)c1)c1ccc(CO)cc1 2620567 UJRUBQVQQHOAGP-UHFFFAOYSA-N 306.159 3.194 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(C)c(C)c1 3619262 LCFBNXTWBKVDII-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCCOc1ccc(CSC(=N)N)cc1Br 4008330 MRQDMKPWDNDPKW-UHFFFAOYSA-N 303.225 3.365 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCCC[C@H]1NC(=O)N[C@H]1C 4520552 NRYDTMPYVQXREL-LSDHHAIUSA-N 317.433 3.262 0 40 DGAB CC(=O)Nc1ccc(NC[C@H](O)Cn2ccc3ccccc32)cc1 4932029 AZJGVFYHZMANFI-SFHVURJKSA-N 323.396 3.073 0 40 DGAB Cc1ccc(CNC(=O)c2cc(-c3ccc(C)cc3O)[nH]n2)cc1 5342971 PATBFLINEPLPAH-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB C[C@H](Sc1nccn1C)C(=O)N[C@@H]1CCCc2ccccc21 5359405 HBCXOMCCIIVBTL-SWLSCSKDSA-N 315.442 3.095 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)C1CCCCC1)CC2 6786355 WMXWOLZTWDMLIF-UHFFFAOYSA-N 303.402 3.169 0 40 DGAB O=C(COc1ccccc1-c1ccccc1)NCc1ccccn1 7765618 SGIUWCVPUSNYPF-UHFFFAOYSA-N 318.376 3.444 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1ccccc1OC 8041558 YULSDEQLUJIGLK-CQSZACIVSA-N 315.369 3.500 0 40 DGAB COc1ccc(CNC(=O)CCc2ccccc2F)cc1OC 8304199 AHWVDIIFNVPISM-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB O=C1Cc2cc(-c3csc(NC4CC4)n3)cc3c2N1CCC3 9690585 JVLXXQWALKBYQB-UHFFFAOYSA-N 311.410 3.220 0 40 DGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1nccs1 11326628 ZRQKMYYWPNBQNG-UHFFFAOYSA-N 307.400 3.114 0 40 DGAB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccsc1 12766570 JVKBFEAKHRBONC-CQSZACIVSA-N 322.430 3.308 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@@H](C)O[C@H](C)C1 12781204 BVUPMWDDSKVKPX-VXGBXAGGSA-N 316.426 3.368 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccsc1)c1ccc(Cl)cc1 13256794 ZIJGECADEICSFF-GFCCVEGCSA-N 309.774 3.347 0 40 DGAB CCOc1ccccc1OS(=O)(=O)c1ccc2c(c1)CCC2 16094086 PQWCTQNSCJRCHH-UHFFFAOYSA-N 318.394 3.342 0 40 DGAB COc1cccc2cc(C(=O)Nc3ccccc3C)/c(=N/O)oc12 17779163 SJGZOGUJPBDKHO-ZZEZOPTASA-N 324.336 3.292 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCN(Cc2ccccc2)CC1 20623555 IKKXRHVVWDOOGY-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB CCOC(=O)C[S@](=O)C(c1ccccc1)c1ccccc1 22058194 XQVZQTKFGQJNTO-OAQYLSRUSA-N 302.395 3.088 0 40 DGAB in-vitro CC(C)(C)OC(=O)N[C@@H](C(=O)O)c1ccc(F)c(Cl)c1 22112741 FGKFRJIBXJOTLF-SNVBAGLBSA-N 303.717 3.130 0 40 DGAB CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCc1ccco1 23492734 CDEFZLBLUWJAOS-GFCCVEGCSA-N 300.358 3.194 0 40 DGAB Cc1ccc(-c2nc(COc3cc(C)ccc3C(N)=O)no2)cc1 25584708 QEEKJOVKZGTHPU-UHFFFAOYSA-N 323.352 3.031 0 40 DGAB O=C(NCc1cccnc1)c1ccccc1C(=O)c1cccs1 25706025 PNOYRFBSQJADMG-UHFFFAOYSA-N 322.389 3.304 0 40 DGAB CC[C@H]1CCCCN1C(=O)c1cnc2c(cnn2C(C)C)c1 25949471 ZAYGJRCGELUSRA-HNNXBMFYSA-N 300.406 3.417 0 40 DGAB COc1ccc(CCNc2cnc3ccccc3n2)cc1OC 26134933 DDWLXIJBGQFFNJ-UHFFFAOYSA-N 309.369 3.302 0 40 DGAB O=C(CCc1ccccc1)Nc1cccc(CN2CCCC2=O)c1 30525912 YGFCGAOQDVANHQ-UHFFFAOYSA-N 322.408 3.380 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCOc2ccc(F)cc2)c1 30526437 JOIYWGULXOHXAS-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB COc1ccc(OC)c(CCC(=O)Nc2ccc(Cl)cn2)c1 30894610 JQIVWIDEUPWJDC-UHFFFAOYSA-N 320.776 3.324 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NCc1ccc2c(c1)OCO2 30994569 RCCJMNIRADZWGR-NSHDSACASA-N 318.398 3.379 0 40 DGAB Cc1cc(CN2CCC[C@@H]2c2ccc3c(c2)OCCO3)on1 32769011 KGEJTZYLTGCFEN-OAHLLOKOSA-N 300.358 3.091 0 40 DGAB COC(=O)c1ccoc1COC(=O)c1ccccc1SC 32894878 CMSJMWSXEYBFBV-UHFFFAOYSA-N 306.339 3.145 0 40 DGAB CCc1ccc(C(=O)NC[C@H](C)N2CCc3sccc3C2)o1 40082277 MBDAXLUUMNNFSM-LBPRGKRZSA-N 318.442 3.080 0 40 DGAB O=C(Nc1ccccc1F)c1ccc(N2CCOC2=O)cc1 40523248 OQFCRGJNVGBKGP-UHFFFAOYSA-N 300.289 3.035 0 40 DGAB Cc1cc(C)cc(OCCC(=O)NC2CCN(C(C)C)CC2)c1 45055196 VDNUVOOXMNFLDU-UHFFFAOYSA-N 318.461 3.061 0 40 DGAB COc1cccc(CC(=O)Nc2cccc(N3CCCC3)c2)c1 47192046 MBTUMLPOFYATGD-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB CCOc1ccccc1CNC(=O)c1ccc(OC)c(F)c1 53163086 CZJINNWDSBDSSC-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1ccc(F)cc1Cl)C1CCCC1 53464076 CNSWEWMLOMPIOQ-AWEZNQCLSA-N 312.772 3.113 0 40 DGAB Cc1cccc([C@H]2CCCN2CC(=O)Nc2nccs2)c1 55910180 CGZWQTHCBBSLQA-CQSZACIVSA-N 301.415 3.227 0 40 DGAB Cc1cnc(C(=O)Nc2cnccc2Oc2ccccc2)cn1 58158279 SJHUIFCSMFKPSG-UHFFFAOYSA-N 306.325 3.225 0 40 DGAB c1cnc(-c2nc(CN[C@H]3CCOc4ccccc43)cs2)nc1 58201515 RQPQGILVLYIYHZ-AWEZNQCLSA-N 324.409 3.214 0 40 DGAB O=C(Nc1cccc(NC(=O)c2cnsn2)c1)c1ccccc1 58407798 DKDVVALOQMJIAC-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB O=C(Nc1cccc2ncccc12)c1cc2c([nH]c1=O)CCCC2 61719325 VJLHJNHLGKEPOB-UHFFFAOYSA-N 319.364 3.054 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3cc(C4CC4)on3)c2)no1 64330739 QERLEUIDOAQOHB-UHFFFAOYSA-N 310.313 3.163 0 40 DGAB CCOC1CCN(Cc2ccn(-c3cccc(F)c3)n2)CC1 64557641 UTBFMXYJOHNCCS-UHFFFAOYSA-N 303.381 3.012 0 40 DGAB COc1ccc(N(C(=O)c2cc(C)no2)[C@@H](C)C2CC2)cc1 65613654 FUDSJMLNJNXONN-LBPRGKRZSA-N 300.358 3.437 0 40 DGAB Cc1ccc(C)c(C[S@@](=O)CC(=O)Nc2ccccc2)c1 66293717 IUXKKSOVRFPBOP-NRFANRHFSA-N 301.411 3.191 0 40 DGAB Cn1ccnc1CN1CCC([C@H](O)c2ccc(Cl)cc2)CC1 67401135 KFLGVYNYQUJPQQ-QGZVFWFLSA-N 319.836 3.019 0 40 DGAB Cc1cc(NC(=O)[C@H](OC2CCCC2)c2ccccc2)n(C)n1 69347932 GNQYXUHAFGCNDM-QGZVFWFLSA-N 313.401 3.368 0 40 DGAB CCSCc1ccc(C(=O)N2CCCN(CC)CC2)cc1 69461103 ZQJYDUAUAQFEGJ-UHFFFAOYSA-N 306.475 3.108 0 40 DGAB CCSc1ccccc1NC(=O)N1CCC[C@@H](CCO)C1 69776379 FTKKKDKEVQUELD-ZDUSSCGKSA-N 308.447 3.425 0 40 DGAB COc1ccc(NC2=NC(=O)S/C2=C\c2cnn(C)c2)cc1 71284403 PJCOHOJMAPERQC-QPEQYQDCSA-N 314.370 3.147 0 40 DGAB O=C1Cc2cc(NC(=O)N[C@H](c3ccccc3)C3CC3)ccc2N1 71905423 QPDNCLUVCXLVJK-GOSISDBHSA-N 321.380 3.454 0 40 DGAB C[C@H]1C[C@@H](Nc2cccc(NC(=O)c3ccccc3)c2)C(=O)O1 72281411 QPMVWQSKKAKOBT-BLLLJJGKSA-N 310.353 3.055 0 40 DGAB O=c1oc2ccccc2c(O)c1CNCc1ccccc1Cl 72422422 FJGDSQFGOJYTSR-UHFFFAOYSA-N 315.756 3.442 0 40 DGAB CC1CCN(C(=O)[C@H](C)Sc2nnc(C3CC3)s2)CC1 74796988 YQYJCSQJGPXRRO-JTQLQIEISA-N 311.476 3.155 0 40 DGAB CCN(CC)C(=O)CN(C)c1nc(-c2ccc(F)cc2)cs1 75105826 JLRFQWSRRVLCJZ-UHFFFAOYSA-N 321.421 3.254 0 40 DGAB CS(=O)(=O)CCCN1CCCCC[C@H]1/C=C/c1ccccc1 75109030 NKOYBCRXVPGQSA-HHNLSAEISA-N 321.486 3.379 0 40 DGAB Cc1ccsc1[C@@H](O)CNC(=O)Cc1ccccc1Cl 75155227 OOCSIAZFIXSHQJ-ZDUSSCGKSA-N 309.818 3.102 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CO)c1 78384865 APTFVHGXMCVYAU-HOTGVXAUSA-N 322.474 3.042 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H]1CCOc2ccccc21 79000901 GQILDEGNNCOPDS-IJEWVQPXSA-N 305.443 3.343 0 40 DGAB COC(=O)[C@@H]1CCN(C(=O)c2ccc(F)cc2)c2ccccc21 89227944 FLBCMCCHFABQEJ-OAHLLOKOSA-N 313.328 3.133 0 40 DGAB COc1ccc(C)cc1CC(=O)N1CCCC[C@H]1c1cn[nH]c1 89616484 PLPFHYXWYVVESH-INIZCTEOSA-N 313.401 3.023 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@H](c3ccccc3OC)C2)c1 89930424 BUKOYPUBCSKNRK-SFHVURJKSA-N 324.380 3.401 0 40 DGAB Fc1cc(F)cc(Cc2nc3nccc(-c4cccnc4)n3n2)c1 95478033 GSZMSGWLDZHNBH-UHFFFAOYSA-N 323.306 3.055 0 40 DGAB Cc1nc(C(C)(C)NCC(=O)N2C[C@@H](C)C[C@@H](C)C2)sc1C 96443584 SAMAKDJDZBWTGJ-TXEJJXNPSA-N 323.506 3.089 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)[C@H](C)COC 97048617 XBWMQHNSHIRYBC-SECBINFHSA-N 315.211 3.102 0 40 DGAB Cc1cc(Cl)c(C(=O)Nc2nccn(C3CC3)c2=O)cc1C 97080334 WXMDCDNLRJQNCS-UHFFFAOYSA-N 317.776 3.101 0 40 DGAB CC(C)c1cc(CNC2CCN(c3nccs3)CC2)on1 97081028 LILUOQMBTRASQS-UHFFFAOYSA-N 306.435 3.013 0 40 DGAB O=C(c1cc[nH]c1)N1CCO[C@@H](c2ccc(C(F)(F)F)cc2)C1 97238624 BSXDQMBBDBWJFT-CQSZACIVSA-N 324.302 3.247 0 40 DGAB CCN(CC)CCNC(=O)c1ccc(-c2cccs2)nc1C 121845223 ZDZAJEPKFHLRSB-UHFFFAOYSA-N 317.458 3.190 0 40 DGAB COC1(CN[C@@H]2CC[C@@](C)(c3ccccc3)C2)CCOCC1 188255477 XSFYHRLZONTXIS-QZTJIDSGSA-N 303.446 3.282 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CC[C@H](C)[C@@H]1CO 190012951 OCEPCEQMVVIAGM-GUYCJALGSA-N 320.433 3.155 0 40 DGAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1ccc(C)cc1 199525007 FXNLODVDHBUFIQ-CYBMUJFWSA-N 300.291 3.475 0 40 DGAB CCOC(=O)C1=Cc2ccccc2O[C@@]1(OCC)C(F)(F)F 217808748 PEAOTZXWEQEGAL-CQSZACIVSA-N 316.275 3.321 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NCc1ccccc1 222748211 KORKQTIQCXECPE-MRXNPFEDSA-N 324.424 3.130 0 40 DGAB COc1cc(Br)c(OCC(C)C)c(C(=O)O)c1 225280301 UDFKELNCSIJBNP-UHFFFAOYSA-N 303.152 3.191 0 40 DGAB CO[C@@H](CNC(=O)c1c(C)noc1C)c1ccc(Cl)s1 225704962 GTNDETAEQGRUEX-VIFPVBQESA-N 314.794 3.124 0 40 DGAB CCOCCOc1ccc(NC(=O)C2(C)CCCC2)c(C)n1 225880997 SZTRSGALYKJEPP-UHFFFAOYSA-N 306.406 3.324 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@@H](CC(=O)O)c2ccccc2)C1 226750804 IJDRUHJABQUVLE-LZWOXQAQSA-N 303.402 3.140 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@H]12 253595509 FJZKBPUBWKYMHG-KSPULMHRSA-N 302.414 3.346 0 40 DGAB CCCN1CCCc2cc(I)ccc21 256054487 WMQOPVLLQVKICF-UHFFFAOYSA-N 301.171 3.454 0 40 DGAB Cc1cc(C)c2c(N[C@@H](C)C3CCC(CN)CC3)n[nH]c2n1 257264490 LUPSTFAMEUUQQA-HSBZDZAISA-N 301.438 3.140 0 40 DGAB Cc1cccnc1CN1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257289385 PYJRJNOEIPOFNS-HNNXBMFYSA-N 307.401 3.041 0 40 DGAB Cc1nc(C)c(C(=O)NCc2cncc(-c3ccoc3)c2)s1 575620785 PYDUYSPTFWNDMM-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB CN(C)CCCC(C)(C)NC(=O)Cc1cncc2ccccc12 585121042 DEADLVROLWRZJN-UHFFFAOYSA-N 313.445 3.014 0 40 DGAB Cc1ccc(C)c(CN2CCC(NC(=O)C(C)(C)C)CC2)c1 1004021480 VZRRIKXAUNWUKF-UHFFFAOYSA-N 302.462 3.430 0 40 DGAB CCC(=O)N1CCC(COc2cccc(C(F)(F)F)n2)CC1 1775995232 JFXRLUCARGHJHT-UHFFFAOYSA-N 316.323 3.128 0 40 DGAB Cc1cnccc1OCC1CCN(Cc2c(C)noc2C)CC1 1889091911 OYGWAANAPGPDKD-UHFFFAOYSA-N 315.417 3.286 0 40 DGAB CC(C)(C)OC(=O)n1ccc2c(-c3cccc(N)c3)ncnc21 2362804415 YXPWGFOKSWKZAR-UHFFFAOYSA-N 310.357 3.464 0 40 DGAB COc1ccc(-c2nc3c(=O)n(C)c4ccccc4c3o2)cc1 424514 LDVZOYCEVBLITE-UHFFFAOYSA-N 306.321 3.355 0 40 DGAB O=C(O)c1ccc(NC(=O)c2ccc3ccccc3c2O)cc1 1727155 SWKXCTAJZNFNOX-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB O=C(CCC(=O)c1cccs1)Nc1nnc(C2CC2)s1 2616510 OJIZFQSAOWZTGN-UHFFFAOYSA-N 307.400 3.079 0 40 DGAB O=Cc1ccccc1OC(=O)c1ccccc1Br 3098715 AQGPNUNJJQXFNL-UHFFFAOYSA-N 305.127 3.481 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1ccccc1F 3511148 UUMKTCWVVJBPHQ-LLVKDONJSA-N 317.316 3.018 0 40 DGAB Cc1ccc(C)c(C(=O)COC(=O)c2ccc3c(c2)OCO3)c1 3517389 ZMXQYHKZPFYUCA-UHFFFAOYSA-N 312.321 3.072 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccccc1Cl 4135026 DTETUKOSOIUTKP-UHFFFAOYSA-N 314.728 3.437 0 40 DGAB C[C@@H]1C[C@@H](NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)CC(C)(C)C1 4614628 BRLOPWYLXBHZKT-KYFQHEKYSA-N 307.434 3.064 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccc(N3CCOCC3)cc2)cc1 6248705 IKXDDOIFPUJPRB-IZZDOVSWSA-N 322.408 3.484 0 40 DGAB CC(=O)N[C@@H](CC(=O)N(C)C1CCCCC1)c1ccccc1 6602031 GSNWPSDWNRWDEV-KRWDZBQOSA-N 302.418 3.045 0 40 DGAB Cc1nnc(S/C(=C\c2cn(C)c3ccccc23)C(=O)O)o1 7365701 CQYHXQPQWDNDNK-QPEQYQDCSA-N 315.354 3.088 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c2sc(C(=O)NC3CC3)cc12 7952752 OZPQFEARNMPUNT-UHFFFAOYSA-N 315.373 3.427 0 40 DGAB Cc1c(C(=O)Nc2c(F)cccc2F)nnn1-c1ccccc1 8715121 SYXGLWDTBPHZCU-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@@H](C)c2cccs2)c1C 8726883 IEDOEWHMVPEMEE-JTQLQIEISA-N 320.414 3.361 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2O)cc1 9064147 MWZLGVMJJLSNJF-UHFFFAOYSA-N 300.383 3.081 0 40 DGAB CSc1ncc(C(=O)Nc2nccs2)n1-c1ccccc1 9115281 MOACVJHRTWDNEM-UHFFFAOYSA-N 316.411 3.303 0 40 DGAB Cn1c(SC[C@@H]2CC2(Cl)Cl)nnc1-c1cccnc1 9154677 WUGSJJSQEGEJRR-VIFPVBQESA-N 315.229 3.163 0 40 DGAB Cc1cc(CNC(=O)CCc2nc3ccccc3[nH]2)ccc1F 12802942 LEJMYUHZGURSEN-UHFFFAOYSA-N 311.360 3.259 0 40 DGAB CC[C@@H](Oc1cc(C)cc(C)c1)C(=O)N1C[C@H](C)O[C@H](C)C1 13745608 XTDJRHNMWOHEGI-HLLBOEOZSA-N 305.418 3.097 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCO1 14139210 GUOMOAFHPDJYOA-ZDUSSCGKSA-N 315.344 3.479 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)Cc3cccc(F)c3)ccc12 14721979 WVXAZLBOVZVCFN-UHFFFAOYSA-N 311.312 3.422 0 40 DGAB Cc1ccc(S(C)(=O)=O)cc1NC(=O)CCc1ccsc1 15816431 KZIFYSJMKMWUBF-UHFFFAOYSA-N 323.439 3.031 0 40 DGAB COc1cc(C)c(NC(=O)c2ccc3nccnc3c2)cc1OC 15948731 UXFGNCDNVKFFCQ-UHFFFAOYSA-N 323.352 3.208 0 40 DGAB CC(=O)Oc1ccc(C(=O)C2CCCCC2)c(OC(C)=O)c1 16321812 ASDXMJKWMIPSSM-UHFFFAOYSA-N 304.342 3.300 0 40 DGAB CCn1ncc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c1C 19523944 MGGUYLHHPTYYJR-MRXNPFEDSA-N 323.444 3.467 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2c(c1)OCO2 20104604 HAENOKZIJQPSFN-AWEZNQCLSA-N 317.316 3.351 0 40 DGAB Nc1ccc(S(=O)(=O)Nc2cccc(Cl)c2Cl)cc1 20130424 DUAASAVOKXBDLI-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB O[C@H](CN1CCN(c2ccccc2)CC1)c1ccc(Cl)cc1 20218760 RCZMDFYYEUDPLB-GOSISDBHSA-N 316.832 3.196 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 21343743 ROYAYUGRYGJSTN-RAIGVLPGSA-N 309.431 3.297 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccs2)o1 22246058 RYZDNEZHPPTYKS-JQWIXIFHSA-N 311.428 3.285 0 40 DGAB CC(C)(C)NC(=O)Cn1c(SC(F)F)nc2ccccc21 23013245 KDBDACOVODGQHP-UHFFFAOYSA-N 313.373 3.266 0 40 DGAB CN(C)[C@H](CNC(=O)c1c(F)cccc1F)c1cccs1 23105528 HAKQWOQHQKDQKS-GFCCVEGCSA-N 310.369 3.059 0 40 DGAB CC(=O)Nc1ccc(OS(=O)(=O)c2ccc(C)c(C)c2)cc1 23862004 WZIODFMGWDRAII-UHFFFAOYSA-N 319.382 3.030 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)NCCC1=CCCCC1 24613437 RZQPWAVTKRWMKJ-UHFFFAOYSA-N 315.413 3.397 0 40 DGAB CC(C)(C)c1nc(CSc2nc(-c3ccccc3)n[nH]2)no1 28012110 RFAVUJDDEGCQLB-UHFFFAOYSA-N 315.402 3.445 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2ccnc(N3CCCC3)c2)c1 30012114 DTRUKTNLGUGORZ-UHFFFAOYSA-N 309.413 3.229 0 40 DGAB Cc1cccn2c(=O)cc(CN3CC[C@@H]4CCCC[C@@H]4C3)nc12 32511175 MPTQRAIMBWSTCP-JKSUJKDBSA-N 311.429 3.015 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@H](c1cccs1)N1CCCC1 32763391 LUXZEXMUWCMMAZ-MVGZEHJDSA-N 316.426 3.308 0 40 DGAB CCN1C[C@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1=O 32816473 XVOHPNMTRVTSNR-CZUORRHYSA-N 322.836 3.022 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CC1)[C@H]1CC(c2ccccc2)=NO1 33163420 JYXNYIXCGNLCSD-MOPGFXCFSA-N 320.392 3.447 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(Br)c[nH]2)cc1 35179635 OAEAEFXXSUWFSJ-UHFFFAOYSA-N 307.191 3.358 0 40 DGAB CCc1noc([C@H]2CCCCN2C(=O)/C=C/c2ccccc2)n1 40714490 OBPRWDHQEBAKGS-AYJWMTRPSA-N 311.385 3.399 0 40 DGAB CC(=O)Nc1ccc(NC(=O)NCc2ccc(F)c(C)c2)cc1 43653322 UHZWCDCQQVPVQQ-UHFFFAOYSA-N 315.348 3.414 0 40 DGAB Cc1ccc(C)c(NC(=O)NCCCN(C)CC(F)(F)F)c1 45948110 FQBDJTRPQQITKY-UHFFFAOYSA-N 317.355 3.309 0 40 DGAB O=C(Nc1cccc(F)c1)c1ccc2c(O)[nH]c(=S)nc2c1 47074958 RMEOPTRSVWSPTA-UHFFFAOYSA-N 315.329 3.389 0 40 DGAB COc1ccc(F)cc1[C@H](C)NCc1cnc2[nH]nc(C)c2c1 48260460 NXQGUMLWFWERRK-JTQLQIEISA-N 314.364 3.265 0 40 DGAB CC(C)c1cccc(O[C@H](C)C(=O)N(C)C2CCN(C)CC2)c1 56057488 SPWIDOHVTCHHCG-OAHLLOKOSA-N 318.461 3.130 0 40 DGAB CCn1nc(C)c2ncnc(NCc3ccc(Cl)cc3)c21 57312416 SMNPGNXEDQRFGW-UHFFFAOYSA-N 301.781 3.420 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)NC[C@@H]1CCCO1 57913129 OXZWACLYBIIAKR-LBPRGKRZSA-N 302.399 3.027 0 40 DGAB CCCN1CCC(CNC(=O)/C=C/c2ccccc2F)CC1 58169129 XUGATMWHQYAUQP-BQYQJAHWSA-N 304.409 3.077 0 40 DGAB Cc1cc(C(=O)Nc2ccc(N(C)C)c(C)c2)c2c(C)noc2n1 58392071 GYFMCUYBYOSWBI-UHFFFAOYSA-N 324.384 3.466 0 40 DGAB O=C(OCc1csc(-c2ccsc2)n1)C1(O)CCCC1 58502218 QIWADGKFSNBPGQ-UHFFFAOYSA-N 309.412 3.220 0 40 DGAB O=C(CCc1ccc(F)cc1)N1CCN(c2ccccc2)CC1 60866242 XIQDLHYRMIJAEN-UHFFFAOYSA-N 312.388 3.107 0 40 DGAB CONC(=O)c1csc(-c2cccc(C(F)(F)F)c2)n1 65519200 XITBLORLUCXJGQ-UHFFFAOYSA-N 302.277 3.120 0 40 DGAB Cc1ccn2cc(CNC(=O)c3nccc4ccccc34)nc2c1 69443544 RLFNPLZUOBWKNF-UHFFFAOYSA-N 316.364 3.121 0 40 DGAB C[C@@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@H]1CCCO1 69533171 OLQQBLWUQZGRGG-MAUKXSAKSA-N 310.397 3.350 0 40 DGAB CCCNC(=O)[C@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl 69538219 LOPJHECNSTYGOW-UGZDLDLSSA-N 322.257 3.157 0 40 DGAB Cc1cccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)n1 69892997 LGCXQKHGIQKBQG-MRXNPFEDSA-N 316.788 3.257 0 40 DGAB Cc1cc(C)n(Cc2cccc(NC(=O)c3ccnc(F)c3)c2)n1 71888892 SZIJAKJBMMQZHB-UHFFFAOYSA-N 324.359 3.335 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72298801 WUJVCMIZBNNRBZ-CYBMUJFWSA-N 304.415 3.383 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1ccc(-n2cccn2)cc1 75347082 KCXNXXPUZPOGRW-ZWNOBZJWSA-N 324.211 3.243 0 40 DGAB CSC[C@H](CCO)Nc1nc(C(F)F)nc2ccccc12 77236814 VJTGFLZVEJUWAB-VIFPVBQESA-N 313.373 3.093 0 40 DGAB COc1ccc(CN(C(=O)C2CC2)c2nccs2)c(OC)c1 78985784 VNHKMWBRAGXLHO-UHFFFAOYSA-N 318.398 3.104 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2cc3ccccc3o2)cc1 79269729 RXQKTWNMZQSGTK-UHFFFAOYSA-N 301.367 3.220 0 40 DGAB O=C(NCc1ccc(-c2ccccc2)o1)[C@@H]1CCc2cn[nH]c2C1 79670819 LKNQDCCTAVJZEA-CQSZACIVSA-N 321.380 3.091 0 40 DGAB CC(C)C[C@@H](C)OCCC(=O)Nc1cccc([S@](C)=O)c1 87303551 OOAGRFDZHKEXAE-LRTDBIEQSA-N 311.447 3.204 0 40 DGAB COc1cccc([C@@H]2C[C@H]2C(=O)Nc2cnc(C3CC3)nc2)c1 89469905 YAMNMSQBWYNQSI-JKSUJKDBSA-N 309.369 3.105 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)O[C@@H](C(C)(C)C)C(F)(F)F 89505789 JCGJSYPOQJJGES-ZDUSSCGKSA-N 320.355 3.490 0 40 DGAB CCn1c(CN2CC[C@@H](Oc3ccncc3)C2)nc2ccccc21 93866303 JQRMJNLYVJIYOM-MRXNPFEDSA-N 322.412 3.105 0 40 DGAB COc1cc(OC)cc([C@@H](O)CN[C@@H](C)c2ccc(F)cc2)c1 95422671 FWXFGNMKMLDFDO-SGTLLEGYSA-N 319.376 3.227 0 40 DGAB C[C@H](C[C@@H](O)c1ccc(F)cc1)NCc1cccc2cn[nH]c12 95448872 PARWPPNKMDJBLT-SJKOYZFVSA-N 313.376 3.304 0 40 DGAB Cc1nc(CN2CCN(Cc3ccc(Cl)cc3)CC2)cs1 95950334 BKWOHZBGSVSZNK-UHFFFAOYSA-N 321.877 3.423 0 40 DGAB CSc1sc(NC(=O)CCc2cncc(F)c2)nc1C 95985765 LZKPAFGZYSBBPC-UHFFFAOYSA-N 311.407 3.279 0 40 DGAB C[C@H]1C[C@H]2CN(C(=O)CCc3ccccc3Cl)CC[C@H]2O1 96043625 BBKUQXXOJDRTBT-DUVNUKRYSA-N 307.821 3.299 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccc(C)nc2)C[C@@H]1Cc1ccccc1 96110480 KAGVWFCXIUJYJQ-OALUTQOASA-N 324.424 3.110 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1cccc(F)c1 96121763 QWQNACUABPLFPW-UHFFFAOYSA-N 313.376 3.207 0 40 DGAB Cc1cccc(NC(=O)CN2C(=O)CC(C)(C)c3ccccc32)n1 96183199 JJHULYSQSMZOHZ-UHFFFAOYSA-N 323.396 3.043 0 40 DGAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1cccs1)C2 96198008 JWGPTMMFNZGUTF-OAHLLOKOSA-N 317.458 3.008 0 40 DGAB CCOc1ccccc1C(=O)N1C[C@@H](C)C(=O)Nc2ccccc21 96418393 VDRBFBGUBNEELC-CYBMUJFWSA-N 324.380 3.320 0 40 DGAB COC[C@@H](NC(=O)Nc1cc(C(C)(C)C)on1)c1ccco1 96445962 SCYVIBDKMIFGTO-SNVBAGLBSA-N 307.350 3.074 0 40 DGAB CCn1nc(C)cc1C(=O)O[C@@H](C)c1nc2ccccc2n1C 96456247 NLNUYPMWUJVWMB-LBPRGKRZSA-N 312.373 3.016 0 40 DGAB O=c1ccn(Cc2nc3cc(F)ccc3o2)c2ccsc12 97014263 IEWCYSCOBFNUJH-UHFFFAOYSA-N 300.314 3.392 0 40 DGAB Cc1cnc(CN[C@@H](C)c2c(C)nn(CC(F)(F)F)c2C)o1 97110937 MTBBSZUBPBWQLL-VIFPVBQESA-N 316.327 3.209 0 40 DGAB N[C@@H]1CN(Cc2cccc3cccnc23)C[C@@H]1c1ccc(F)cc1 97163511 LVRFBBPCNSGUFR-RTBURBONSA-N 321.399 3.301 0 40 DGAB O=C(OC[C@H]1C[C@H]2CC[C@H]1C2)[C@H](c1ccccc1)n1cccn1 107348544 BPBVHCHPDFNBIB-OWLYRPNTSA-N 310.397 3.452 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2)cc1C 171477266 ISIZEEAIXCSEDQ-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB C[C@H](NC[C@H](O)c1ccc(F)cc1)[C@H]1COc2ccccc21 185639584 DNPANLOIBCNKEY-VUCTXSBTSA-N 301.361 3.013 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccccc2CNC(=O)[C@H]2C[C@@H]2C)C1 195529226 NETOMWBLWZCCJP-RCJHGTSTSA-N 314.473 3.437 0 40 DGAB Nn1c(SCc2c(F)cccc2Cl)nnc1C(F)F 216927051 ZGKOWQXIFUPPDY-UHFFFAOYSA-N 308.716 3.014 0 40 DGAB COc1ccc(C(=O)NCc2ccco2)cc1COCC(C)C 224446618 PRJKRACEXJBZKM-UHFFFAOYSA-N 317.385 3.391 0 40 DGAB C[C@H]1CSc2ccccc2CN1C(=O)CCOCC(F)F 225635794 XXVAVMBIHDKJJT-NSHDSACASA-N 315.385 3.181 0 40 DGAB Cn1nc2c(c1CNC(=O)c1cc(Cl)cc(Cl)c1)CCC2 225817495 LSSFUSZKAOCRMA-UHFFFAOYSA-N 324.211 3.146 0 40 DGAB CC1CCN(C2CCC(N[C@@H]3C[C@@H](C)N(C)C[C@H]3C)CC2)CC1 245287292 BVJNWHFPUQUQPY-MQPDGSBLSA-N 321.553 3.348 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251218892 MGEIFWGOINWVLT-XQLPTFJDSA-N 303.402 3.157 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)c2cccc(Cl)c2)C1 257274917 NNESWCYQCDXKNF-CYBMUJFWSA-N 317.820 3.466 0 40 DGAB Cc1ccc(-c2cnc3n2C[C@@H]2CN(CC4CC4)C[C@H]2C3)cc1 306140225 UNIZCVOBSDJNGN-MSOLQXFVSA-N 307.441 3.373 0 40 DGAB CCCc1c(NC(=O)CC)cnn1-c1cc(F)c(OC)cc1F 390834383 XSQWEEZXYHLPQQ-UHFFFAOYSA-N 323.343 3.460 0 40 DGAB C=CC(=O)N1CCC[C@H]1c1cc(Nc2ncccc2C)nc(C)n1 585292663 QCEMFMCANVTCCK-HNNXBMFYSA-N 323.400 3.082 0 40 DGAB O=C(NCc1ccc(Cl)cc1)N[C@H]1CCC12CCOCC2 585409947 XLKXHCLHHJDSDU-AWEZNQCLSA-N 308.809 3.098 0 40 DGAB Cc1csc(C(=O)NCc2cc(-c3cccs3)nn2C)c1 1775966583 MUAXAABLBGFKFM-UHFFFAOYSA-N 317.439 3.449 0 40 DGAB O=Cc1nc(Br)c(-c2ccc(F)c(F)c2F)[nH]1 1857794635 FBXDWLWVDCSFLF-UHFFFAOYSA-N 305.053 3.069 0 40 DGAB COCc1cc(C)nc2sc(C(=O)O)c(-n3cccc3)c12 54557 YQXAVQZFNHDKRS-UHFFFAOYSA-N 302.355 3.240 0 40 DGAB COc1ccc(C(=O)n2cnc3cc(C)c(C)cc32)cc1OC 288096 BNLXHXQRTLKOIL-UHFFFAOYSA-N 310.353 3.359 0 40 DGAB biogenic,in-vitro C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@H]1COc2ccccc2O1 319544 FKWAHQSNYFFTKX-BDJLRTHQSA-N 317.772 3.298 0 40 DGAB COc1ccc(CCC(=O)OCC(=O)c2ccc(C)cc2)cc1 384560 YYWZIXGHTWUEAX-UHFFFAOYSA-N 312.365 3.362 0 40 DGAB CC(=O)c1cnn(-c2cc(Oc3ccccc3C)ncn2)c1C 385172 DMYNXIJWALEMKV-UHFFFAOYSA-N 308.341 3.274 0 40 DGAB Nn1c(SCc2ccccc2F)nnc1-c1ccccc1F 532760 JTYAKRPXDSDDAP-UHFFFAOYSA-N 318.352 3.229 0 40 DGAB CCCc1ccc(C(=O)C[C@@]2(O)C(=O)Nc3ccc(C)cc32)cc1 1320290 XQFBEZLQGKXWJU-FQEVSTJZSA-N 323.392 3.360 0 40 DGAB CCCCOC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3196772 ZFKDYUOZMLNIOH-UHFFFAOYSA-N 323.348 3.444 0 40 DGAB NCCSc1nc(C2CCCCC2)n(-c2ccccc2)n1 3305593 URWAMRSFMYPXOS-UHFFFAOYSA-N 302.447 3.366 0 40 DGAB O=C(COC(=O)C1CC1)Nc1cc(C(F)(F)F)ccc1Cl 3348718 RGUDPWPVRYCKBL-UHFFFAOYSA-N 321.682 3.251 0 40 DGAB COc1ccccc1[C@@H](O)[C@@H](CCCO)c1ccccc1OC 3844237 HQCMJVBZTNVFBP-KXBFYZLASA-N 316.397 3.294 0 40 DGAB biogenic CCN(CC)CCCNC(=O)c1ccc(Cl)c(Cl)c1 5453058 RGPMSIDNUVIROO-UHFFFAOYSA-N 303.233 3.455 0 40 DGAB C[C@H](Sc1nncs1)C(=O)Nc1ccc(F)c(F)c1F 6862101 IMLBOYFIXOULDJ-YFKPBYRVSA-N 319.333 3.075 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2cccc(F)c2)c1 7492413 QOKKRMUVCMESIL-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB S=c1[nH]ncn1NCc1ccccc1OCc1ccccc1 7602520 FQCHWAHZKRPKFS-UHFFFAOYSA-N 312.398 3.263 0 40 DGAB CCOc1ccccc1NC(=O)c1cccc(N2CCCC2=O)c1 7920438 JZCMPBCCUUDWNO-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C)c(C)c1 8040762 ATMSJKZNEIIKGZ-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB CCCNC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 8476535 GIICXIPAHFMVCM-UHFFFAOYSA-N 306.369 3.074 0 40 DGAB O=C(Nc1ccc2c(c1)CN(C(=O)c1ccccc1)CC2)C1CC1 9038415 DJCJPRFZWUYLSO-UHFFFAOYSA-N 320.392 3.234 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)c1cnn(Cc2ccccc2)c1 9454856 NIYBYOBSZMQOOL-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB O=C1N[C@@H](c2ccc(F)c(Br)c2)Nc2ccccc21 9549360 AADRIAGIRNHURV-ZDUSSCGKSA-N 321.149 3.442 0 40 DGAB O=C(O)[C@@H]1CCCN1C(=O)c1cc2c(s1)CCCCCC2 9550263 NUBUYHVANAQQRL-LBPRGKRZSA-N 307.415 3.096 0 40 DGAB CCCn1ccnc1SCc1cc(=O)oc2cc(O)ccc12 12538817 AWCBTRCIHZCAHG-UHFFFAOYSA-N 316.382 3.397 0 40 DGAB O=C(OC1(C(=O)O)CCC1)C(c1ccccc1)c1ccccc1 12583058 CUCWDEGNRFGMHB-UHFFFAOYSA-N 310.349 3.369 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccc(F)cc1 12884849 DGYKRQDEQVMXED-AWEZNQCLSA-N 323.414 3.341 0 40 DGAB CC(=O)c1c[nH]c(C(=O)OCCOc2cccc(Cl)c2)c1 14200303 GGNHPAVRVGBTNY-UHFFFAOYSA-N 307.733 3.107 0 40 DGAB CC(=O)c1ccc(NC(=O)c2cc(C)nc3c2c(C)nn3C)cc1 14898263 VUUXNFDMJFWDRS-UHFFFAOYSA-N 322.368 3.040 0 40 DGAB Cc1csc2nc(CNc3ccc(F)cc3Cl)cc(=O)n12 15293221 LPPNIOQYBDMHKT-UHFFFAOYSA-N 323.780 3.469 0 40 DGAB Cc1nn(C)cc1CN(Cc1ccccc1F)C[C@H]1CCCO1 19583713 COMFFMRHLBNWPY-QGZVFWFLSA-N 317.408 3.049 0 40 DGAB CN(C)Cn1cc(CC(=O)N2CCCCCC2)c2ccccc21 20650014 MLHATYWAYWNJRK-UHFFFAOYSA-N 313.445 3.106 0 40 DGAB O=C(Cn1cnc2cc(F)c(F)cc21)NCCC1=CCCCC1 24425301 UPBBRIOURXAXLH-UHFFFAOYSA-N 319.355 3.321 0 40 DGAB O=C(CCN1CCCCCCC1)Nc1ccc2c(c1)OCCO2 24716545 MDWHWZJLJKCKJW-UHFFFAOYSA-N 318.417 3.053 0 40 DGAB O=C(Nc1cccc(OCc2ccc(F)cc2)c1)c1cnccn1 27279613 YHGFADCOHIJXCN-UHFFFAOYSA-N 323.327 3.447 0 40 DGAB CC(=O)c1sc(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)nc1C 28573097 HAYVAGVGKRZPSS-CHWSQXEVSA-N 300.383 3.396 0 40 DGAB O=c1oc(-c2ccc(F)cc2)nn1Cc1cccc2cccnc12 29902676 CDQQQPSOKIKZAB-UHFFFAOYSA-N 321.311 3.239 0 40 DGAB C[C@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F 30982886 JGLBOWJZFBEHMB-NSHDSACASA-N 316.332 3.115 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCc3ccccc32)cc1 31254249 KLRKPJBHIMYERA-UHFFFAOYSA-N 308.425 3.107 0 40 DGAB CCOc1ccc(S(=O)(=O)NC(C)(C)C)cc1C(C)(C)C 32601764 NHJSBELDILUIPX-UHFFFAOYSA-N 313.463 3.460 0 40 DGAB O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCc2ccccc21 40478379 FCWXVHYKMDCOAE-UHFFFAOYSA-N 307.328 3.419 0 40 DGAB CCCCC[C@@H](C)NC(=O)c1ccc(N2CCOC2=O)cc1 40523305 UILPAWNEYXKQAM-CYBMUJFWSA-N 304.390 3.342 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(Cl)s2)C1 43584223 SVBDSVXOELYYOQ-SECBINFHSA-N 301.795 3.119 0 40 DGAB Cc1csc(CNC(=O)c2cc(Cl)c(Cl)n2C)n1 44914957 QMFAVJUBSNWVRM-UHFFFAOYSA-N 304.202 3.027 0 40 DGAB C[C@H](NC(=O)c1cnns1)c1cccc(C(F)(F)F)c1 48771427 IVEZDYSVFHIIBO-ZETCQYMHSA-N 301.293 3.048 0 40 DGAB CC(C)(C)c1ccc(NC(=O)NCCC(=O)N2CCCC2)cc1 53977399 KTLIIJPVNINFIK-UHFFFAOYSA-N 317.433 3.118 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@H]2CCc2ccccc2)c1 56331790 WJMAUIZHDILWRD-KRWDZBQOSA-N 310.397 3.455 0 40 DGAB O=C(Nc1cccnc1)N1CCC(Nc2ccc(F)cc2)CC1 58015584 OBVBRYOWVNXZGD-UHFFFAOYSA-N 314.364 3.329 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1nccs1 58051768 DQVUQWZKQAJHGJ-LLVKDONJSA-N 319.434 3.294 0 40 DGAB O=C1OCC[C@@H]1NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 58077434 RZLWCSRHOWDWRY-LPHOPBHVSA-N 320.392 3.205 0 40 DGAB O=C(CCNc1ccccc1)NCc1ccc(-c2ccn[nH]2)cc1 58276123 UCUMGLSKJFSWPU-UHFFFAOYSA-N 320.396 3.195 0 40 DGAB CO[C@H](CNC(=O)c1coc(Br)c1)c1ccccc1 61499497 CDRODOXMNMWTRS-GFCCVEGCSA-N 324.174 3.160 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)NC1CCCCC1)c1ccccc1 65607608 NKZFIMPBUVPRMO-INIZCTEOSA-N 312.417 3.141 0 40 DGAB O=C1C[C@H](c2ccc(O)cc2)c2c(ncn2-c2ccc(F)cc2)N1 66091407 DMZDEEXMBXTJEK-OAHLLOKOSA-N 323.327 3.191 0 40 DGAB C[C@H](c1ccccn1)N(C)C(=O)c1ccc(Cn2ccnc2)cc1 68268931 SYVUSKKBDYHUBL-OAHLLOKOSA-N 320.396 3.160 0 40 DGAB Cc1ccc(NC(=O)N2CCCC[C@H]2C2OCCO2)c(Cl)c1 69623662 GBRJYMUGNOUVJD-AWEZNQCLSA-N 324.808 3.408 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc3ccccc3c2)cn1 69628388 OJILFOOGDOVLBH-IBGZPJMESA-N 319.408 3.480 0 40 DGAB Cc1noc(C2CCN(C(=O)Nc3c(F)cccc3F)CC2)n1 69654375 ITMOVHMCAVYHDQ-UHFFFAOYSA-N 322.315 3.068 0 40 DGAB Cc1ccc(C(C)(C)CNC(=O)NCc2cscn2)cc1 69658472 KPSYNZDJWWMYMJ-UHFFFAOYSA-N 303.431 3.229 0 40 DGAB O=C(OCc1cn2cc(Cl)cc(Cl)c2n1)c1ccccn1 69816344 CQTRXGKUWINVAM-UHFFFAOYSA-N 322.151 3.393 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)[S@@](=O)Cc1cccc(F)c1 69818693 PCBWMVXKQUZMGM-XUSGNXJCSA-N 305.374 3.102 0 40 DGAB Cc1nc(-c2ccc3ccccc3c2)n(CC(=O)N2CCCC2)n1 69971149 HYZFWRQGGHXMPD-UHFFFAOYSA-N 320.396 3.029 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2cccs2)c1 71865689 XPHVFCLWTKWTAH-HNNXBMFYSA-N 317.458 3.267 0 40 DGAB CCn1nc(C)cc1C(=O)O[C@@H](c1cccnc1)C(F)(F)F 71886121 ONYSKQMABAWABP-LBPRGKRZSA-N 313.279 3.067 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccoc1 71886301 KLFIBVWEXWKUPK-ZDUSSCGKSA-N 305.305 3.229 0 40 DGAB CSc1ccc(N(C)C(=O)c2c(C)nn3cccnc23)cc1 71902902 KKQVALMGOPVCGI-UHFFFAOYSA-N 312.398 3.036 0 40 DGAB Cn1c(CNC(=O)c2ccc(-c3ccco3)o2)nc2ccccc21 72265267 OJRLOZVZNDIRLN-UHFFFAOYSA-N 321.336 3.356 0 40 DGAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1ccc(F)cc1 72286777 ZJZFINIMNRXHAW-OAQYLSRUSA-N 305.374 3.265 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)c2ncoc2C(C)C)C12CCCC2 72303465 DYORIJRXYYYNFO-CHWSQXEVSA-N 306.406 3.266 0 40 DGAB O=C(NCCSCc1ccccc1)c1ccncc1Cl 72936045 NHVYRLMNJFBNHP-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C(=O)c2cnsn2)c1 75610662 AYSYJAHWXAUOOI-UHFFFAOYSA-N 324.409 3.084 0 40 DGAB CC(C)Cc1nnc([C@@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 76083701 ADAGSSWQFWJMAT-VXGBXAGGSA-N 317.389 3.409 0 40 DGAB CCCCn1c(SCC(=O)c2cnn(C)c2)nc(C)c1C 78056071 OCBLNDYRAQXNMI-UHFFFAOYSA-N 306.435 3.009 0 40 DGAB CC[C@H](C)C(=O)Nc1cc(C(=O)OC)n(Cc2ccccc2)c1 78947326 TYTQOSNAMWUGSF-ZDUSSCGKSA-N 314.385 3.308 0 40 DGAB Cn1nc(C2CCC2)cc1NC(=O)c1ccn(-c2ccccc2)n1 84303623 OKZAYYSEDJDQEF-UHFFFAOYSA-N 321.384 3.126 0 40 DGAB CSCc1cc(F)ccc1CNC(=O)CC[C@H]1CCCO1 87435490 PYBDQTLOKUWPOZ-OAHLLOKOSA-N 311.422 3.264 0 40 DGAB CCc1n[nH]c(S[C@@H](C)c2nnc(-c3cccs3)o2)n1 89279789 UHIPIGUOYJLGRW-ZETCQYMHSA-N 307.404 3.332 0 40 DGAB CCc1nc(C(=O)N2CCn3cccc3[C@H]2c2ccccc2)c[nH]1 89279880 QDQBLDPEILSODP-GOSISDBHSA-N 320.396 3.019 0 40 DGAB COc1ccc([C@@H](O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1 89438799 MIGVAHUJHPJGMP-QZTJIDSGSA-N 317.429 3.300 0 40 DGAB Cc1cnn(CCN[C@@H](C)c2ccc(Br)cc2)c1 89702497 IJLOGWKCNOJAAN-LBPRGKRZSA-N 308.223 3.305 0 40 DGAB CCOc1ccc(OCCn2ccc(=O)c3ccccc32)cc1 89991171 UBJCQQUUNQGSKF-UHFFFAOYSA-N 309.365 3.479 0 40 DGAB Cn1ccnc1-c1cccc(NC(=O)CCCn2cccc2)c1 92118405 CBYPDJKCAILFRS-UHFFFAOYSA-N 308.385 3.308 0 40 DGAB O=Cc1cc(C(F)(F)F)ccc1I 95080198 CRKFYUIXVLHGLN-UHFFFAOYSA-N 300.017 3.123 0 40 DGAB O=C(O)CO[C@@H](c1cccc(Br)c1)C(F)(F)F 95096411 MDGKTPQCPLPTJL-VIFPVBQESA-N 313.069 3.154 0 40 DGAB O=C(O)c1c(Br)c(Cl)nc2ccc(F)cc12 95096646 OUHOYBBGMRTWSY-UHFFFAOYSA-N 304.502 3.488 0 40 DGAB C[C@@H](N[C@@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 95968490 HHTLSUVGQNATNS-TZMCWYRMSA-N 302.349 3.453 0 40 DGAB Cc1cccc(CN2CC[C@@H]3OCCC[C@]3(COC(C)C)C2)n1 96040505 ZBZVUIRSKQEMEE-RBUKOAKNSA-N 318.461 3.186 0 40 DGAB Cc1occc1C(=O)N[C@@H](C)[C@@H](O)c1c(F)cccc1Cl 96449152 BQPGIQZSNORGRL-RMLUDKJBSA-N 311.740 3.232 0 40 DGAB CC(C)[C@@H](NC(=O)[C@H](C)n1cncn1)c1ccc(Cl)cc1F 97081578 JYRNMHMUKVVODP-IINYFYTJSA-N 324.787 3.145 0 40 DGAB O=C(Nc1nc(Cc2ccccc2)cs1)C1CCOCC1 97086040 AYQNCDLENOBAAW-UHFFFAOYSA-N 302.399 3.099 0 40 DGAB COc1ccc(-c2nnc(NCc3ccsc3)o2)cc1OC 97114555 QBEBWNMQLYGNNY-UHFFFAOYSA-N 317.370 3.427 0 40 DGAB O=[S@](Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cn1 97115196 HBCVJJGWNXZQCU-NRFANRHFSA-N 317.801 3.229 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(C)(C)C)nn2)c1 97117317 GBEKBGRVATYXET-UHFFFAOYSA-N 319.430 3.192 0 40 DGAB O=C(NCc1ncccc1F)c1ccc(F)c(Cl)c1F 97138797 MHKXCOADKRQYCQ-UHFFFAOYSA-N 300.667 3.082 0 40 DGAB c1cnn(Cc2ccc(N[C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cc2)c1 97138975 DTJGJBKMSZRHBQ-KURKYZTESA-N 309.413 3.301 0 40 DGAB Cc1ccc(C2=C[C@@H](c3cccs3)n3nnnc3N2)cc1C 101353406 VJSFXOREYYZPPE-AWEZNQCLSA-N 309.398 3.407 0 40 DGAB CCOc1cc(NC(=O)N2CCOC3(CCC3)C2)ccc1C 104332971 AREIJDDADWQZCC-UHFFFAOYSA-N 304.390 3.181 0 40 DGAB O=C(NC1CC1)[C@H](N[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1 106147506 NIPYEECYHMYYOX-GUDVDZBRSA-N 306.409 3.152 0 40 DGAB C[C@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cncnc1 188755191 MDWBPIIPXSCBSY-BLLLJJGKSA-N 303.793 3.092 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)Nc1cnn(CC(F)F)c1 195563533 XSRBNOWDNYEVGH-LBPRGKRZSA-N 322.359 3.204 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCCC(C)C)cc1C(C)C 224524513 VQUFTLJOWGBCPV-UHFFFAOYSA-N 313.463 3.451 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccccc1F 224611534 LMTGFFHJVUOHTA-GFCCVEGCSA-N 323.389 3.015 0 40 DGAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)NC1CCCC1 225435746 UZHUFXVUIHXQSN-JTQLQIEISA-N 318.348 3.206 0 40 DGAB biogenic,in-vitro COc1ccc(C(=O)NCCCOC2CCCC2)cc1Cl 225860322 JAXAFETVNRGUFI-UHFFFAOYSA-N 311.809 3.428 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2Cl)cc1 226238248 FCLVBILDESKXRN-UHFFFAOYSA-N 319.817 3.357 0 40 DGAB CCOc1cc(NC(=O)c2ccco2)cc2sc(N)nc12 226311157 IFQUMNCYXRBFRO-UHFFFAOYSA-N 303.343 3.123 0 40 DGAB COC1(CNC(=O)c2ccc(F)cc2Cl)CCSCC1 252522856 BHVCHNQBYZEASA-UHFFFAOYSA-N 317.813 3.121 0 40 DGAB Cc1cc(N2CCC(c3cccc4nc(C)cn34)CC2)ncn1 257272183 NBIVUADCBDPXRA-UHFFFAOYSA-N 307.401 3.125 0 40 DGAB Cn1ccc2ccnc(CC3CN(C(=O)c4cccc(F)c4)C3)c21 257329739 XLIGDPNTJCNIJE-UHFFFAOYSA-N 323.371 3.027 0 40 DGAB O=C1[C@@H]2CCCCN2C(=O)N1c1ccc2nc(C3CC3)oc2c1 278234339 VMVNFMCLMSKOLR-ZDUSSCGKSA-N 311.341 3.026 0 40 DGAB CS(=O)(=O)c1ccc(N2CCC=C(c3ccccc3)C2)cc1 376483632 FUMCQJYUMIDIQJ-UHFFFAOYSA-N 313.422 3.384 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N(C)CCCN2CCCC2)c1 390835463 OIXFSXRYHKFPSE-OAHLLOKOSA-N 319.449 3.344 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@@H]([C@H]4C[C@H]43)[C@H]2C1=O 408726839 CMIUHJOORKOJFX-XMDOAZLISA-N 313.784 3.206 0 40 DGAB FC(F)(F)c1cccc(OCc2noc([C@@H]3CCOC3)n2)c1 528231548 KKBBLCHVPGSBLN-SECBINFHSA-N 314.263 3.171 0 40 DGAB COc1cncc(CNC(=O)C[C@H](C)Cc2cccc(F)c2)c1 585128131 SWPLOVFYRRODOR-CYBMUJFWSA-N 316.376 3.114 0 40 DGAB CCC[C@@H](OCC)C(=O)N1CC(Cc2c(F)cccc2F)C1 1545067785 VHGCSKOMIQCSMF-MRXNPFEDSA-N 311.372 3.171 0 40 DGAB Cc1c(-c2nnnn2-c2ccc(F)cc2)cnc2ccccc12 161116 SQLWPRUWSSKYOS-UHFFFAOYSA-N 305.316 3.325 0 40 DGAB CCOC(=O)CNc1c(-c2ccccc2)nc2cc(C)ccn12 319491 IVNCBTDWTNUGHI-UHFFFAOYSA-N 309.369 3.285 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@H]2CCc3ccccc3C2=O)cc1 1563763 ZDYNPRWTOHZAFT-OAHLLOKOSA-N 314.406 3.214 0 40 DGAB CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1ccccc1 3035107 YEDJESIABWTDMM-MRXNPFEDSA-N 322.364 3.015 0 40 DGAB biogenic CCC(CC)C(=O)OCC(=O)Nc1cc(Cl)ccc1OC 3228518 DTGOKTCRABHIAJ-UHFFFAOYSA-N 313.781 3.267 0 40 DGAB CCOC(=O)C1=C(C)N=C2SCCN2[C@@H]1c1ccc(F)cc1 4050660 YRPLEIZQOMJXFQ-CQSZACIVSA-N 320.389 3.122 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)OCC(=O)c1ccc[nH]1 4580669 PYUMABYQIWAVCE-UHFFFAOYSA-N 310.309 3.018 0 40 DGAB COc1ccc(OC)c(/C=C2\N=C(c3ccccc3C)OC2=O)c1 4644447 NNNORNFDQKMANA-WJDWOHSUSA-N 323.348 3.357 0 40 DGAB CCCc1nnc(NC(=O)COc2ccc(Cl)cc2)s1 4694988 ZIEBSZHSHBNEEV-UHFFFAOYSA-N 311.794 3.162 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(c2ccc(F)cc2)=NO1)c1ccccc1 5029916 CSBOPSYQDDROIM-YVEFUNNKSA-N 312.344 3.196 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1cc2cc(Cl)ccc2[nH]1 5345335 JIWJUFBYJVGTGE-CYBMUJFWSA-N 305.809 3.035 0 40 DGAB Nc1ccccc1-c1nc2c3c4c(sc3ncn2n1)CCCC4 5345771 WKHZAQQVPCXZJX-UHFFFAOYSA-N 321.409 3.467 0 40 DGAB COc1ccccc1CSc1nnnn1-c1ccccc1C 5353685 VYDSKMIXHLCXMY-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=S)Nc1ccccc1 6275202 UGKLSFCUBRBGRY-UHFFFAOYSA-N 302.355 3.202 0 40 DGAB O=CNCc1nc2ccccc2n1Cc1cccc2ccccc12 8643161 UHIKCDKNMRPAQB-UHFFFAOYSA-N 315.376 3.484 0 40 DGAB O=C(NC1CC1)c1cccc(NC(=O)c2c(F)cccc2F)c1 9750144 HOBYEXKBKFCEAA-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB NC(=O)c1cccc(NC(=O)c2csc(-c3ccccc3)n2)c1 9884525 JPRZLZZLMFYYGJ-UHFFFAOYSA-N 323.377 3.161 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(C3SCCCS3)cc2)CCO1 11497315 PYZNICUUPUGZEM-LBPRGKRZSA-N 323.483 3.416 0 40 DGAB CC(C)C(=O)N[C@@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12220081 JHLYSOMXKKYQCX-MRXNPFEDSA-N 324.428 3.324 0 40 DGAB Cc1ccc(/C=C(\C(=O)N2CCCCC2)n2ccccc2=O)cc1 12463809 XOFLPNYOZFKEAQ-OBGWFSINSA-N 322.408 3.167 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(Cl)cn2)cc1 12592695 RBAFBWCJTGONQA-SNVBAGLBSA-N 305.765 3.183 0 40 DGAB Cc1nc2cc(NC(=O)Cc3noc4ccccc34)ccc2o1 13022144 QAZPFBQXMIWNJD-UHFFFAOYSA-N 307.309 3.459 0 40 DGAB COCCCN(Cc1ccccn1)C(=S)Nc1ccccc1 13725164 NRUTZNHVLACKKX-UHFFFAOYSA-N 315.442 3.317 0 40 DGAB Cc1ccc2cc(CNCc3ccc(F)cc3)c3nnnn3c2c1 13998161 WRNOVNUEIMJUEO-UHFFFAOYSA-N 321.359 3.015 0 40 DGAB CCCc1ccc(NC(=O)c2ccc3c(c2)NC(=O)CO3)cc1 14137393 KZRURIMUXBLHPT-UHFFFAOYSA-N 310.353 3.222 0 40 DGAB O=C(C[C@@H]1Nc2ccccc2OC1=O)Nc1ccccc1Cl 14608255 JSSFWKAMVCBVRM-ZDUSSCGKSA-N 316.744 3.068 0 40 DGAB Cc1cccc(OCc2nn3c(=O)c4ccccc4nc3s2)c1 17056492 CZDSKOCBTVXMOP-UHFFFAOYSA-N 323.377 3.192 0 40 DGAB Cc1ccc(CN(CCCn2ccnc2)Cc2c[nH]cn2)s1 19217149 WRLCRKLWLQJPLD-UHFFFAOYSA-N 315.446 3.069 0 40 DGAB O=C(N[C@@H](Cc1cccs1)c1nccs1)c1cccnc1 19337853 JOLKNELLJPEYHB-ZDUSSCGKSA-N 315.423 3.313 0 40 DGAB CCc1cc(C(=O)N2CCC[C@H](c3cc4cccnc4[nH]3)C2)on1 19522731 BGRNXZOEHNXASI-ZDUSSCGKSA-N 324.384 3.133 0 40 DGAB O=C(NCCc1csc(-c2ccccn2)n1)C1CCCCC1 19942238 BXRXYABMBVPLOK-UHFFFAOYSA-N 315.442 3.444 0 40 DGAB CCCCSc1nc(N)c2c3c(sc2n1)CN(C)CC3 20358354 NHRBYSIASFENFJ-UHFFFAOYSA-N 308.476 3.154 0 40 DGAB O=C(Nc1nc2ccccc2nc1N1CCCC1)c1ccoc1 21553306 IOHZZEZRLXCXJZ-UHFFFAOYSA-N 308.341 3.075 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](CO)C1 22009057 ALBDGYQRKQAUJW-UKRRQHHQSA-N 309.381 3.159 0 40 DGAB Cc1nc(NC(=O)C(C)C)sc1Cc1ccc2c(c1)OCO2 22925223 XKMCINGCLBJPGH-UHFFFAOYSA-N 318.398 3.366 0 40 DGAB CC/C=C/C(=O)OCC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 23328977 CEEJSAHKGOGIQL-MDDUGHTDSA-N 315.413 3.252 0 40 DGAB O=C(Cc1ccccc1F)Nc1cccc(Cn2ccnc2)c1 25183698 PHFQJRXFSXRAJS-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB CCOC(=O)c1c(N)c(-c2nc3ccccc3[nH]2)c2ccccn12 28047635 RLKNOUADTFXGGB-UHFFFAOYSA-N 320.352 3.242 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccoc2)CC1 30768835 KGAGDPPSZLGBAA-CQSZACIVSA-N 320.433 3.073 0 40 DGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)Nc1cccnc1 32889662 DQQKVMGFLFTKII-UHFFFAOYSA-N 315.373 3.153 0 40 DGAB O=C(O)c1ccc(N2CCCN(Cc3cccs3)C2=O)cc1 34798152 ZFJITJNRFPQCCO-UHFFFAOYSA-N 316.382 3.279 0 40 DGAB Cc1nn(C)cc1-c1cc(C(F)F)nc(N2CCC(C)CC2)n1 36618659 VMIWGHGEXRQOOE-UHFFFAOYSA-N 321.375 3.359 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@H](Nc3ccccc3)C2=O)c(C)c1 36635180 UMIISVFRNSFHHX-INIZCTEOSA-N 308.381 3.356 0 40 DGAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)C(=O)CC[C@H]12 40720102 WSCUHXPGYUMQEX-QSHQZYPVSA-N 302.414 3.058 0 40 DGAB CSc1nnc(NC(=O)CCCOc2ccccc2)s1 40989557 NGZKMXQGQSYXRI-UHFFFAOYSA-N 309.416 3.058 0 40 DGAB Cc1ccc(C(=O)NCCN2CCc3ccccc3C2)cc1C 45076655 RZTJLYLPZHBFFO-UHFFFAOYSA-N 308.425 3.092 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)N(C)Cc1cnn(C)c1 47765957 OIJMJHPOHDDUDD-UHFFFAOYSA-N 316.405 3.181 0 40 DGAB CCOc1cccc(CNC(=O)[C@@H](C)Oc2cccc(C)c2)c1 48373686 HPVSPZHUYLVMAB-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB Cc1noc2nc3c(c(C(=O)N(C)Cc4ccccc4)c12)CCC3 49551469 YZYAFJNSCYBCFD-UHFFFAOYSA-N 321.380 3.292 0 40 DGAB O=C(c1ccccn1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 50379980 UNDWVCDIWLXVRY-INIZCTEOSA-N 314.360 3.042 0 40 DGAB O=C(c1c[nH]c(=O)c(Cl)c1)N1CCC[C@@H]1C1CCCCC1 55600823 HTEITHQFRFFFJI-CQSZACIVSA-N 308.809 3.213 0 40 DGAB CCc1ncc(CN(Cc2ccc(C)o2)C[C@@H]2CCCO2)cn1 57811241 ZSCLIYFPLAJFJB-INIZCTEOSA-N 315.417 3.122 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2ccc3cnn(C(C)C)c3c2)c1 58249274 MEONZYHTLJLVDT-UHFFFAOYSA-N 310.357 3.400 0 40 DGAB O=C(CSC[C@@H](O)c1ccccc1)Nc1ccc(F)c(F)c1 58264223 QVQBYIIJUGWJBZ-OAHLLOKOSA-N 323.364 3.370 0 40 DGAB c1ccc(-c2nnc(OCc3cccc4c3OCCO4)o2)cc1 63562929 KARSKLBCLBHTTH-UHFFFAOYSA-N 310.309 3.087 0 40 DGAB Cc1nc(-c2ccc(CCNCc3ncc[nH]3)s2)cs1 67667219 RJPXLPMRCCUPNN-UHFFFAOYSA-N 304.444 3.235 0 40 DGAB COCCCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 68755581 XGVIFRWHSJJSEF-CYBMUJFWSA-N 301.386 3.105 0 40 DGAB Cc1ccccc1CNC(=O)CN1CC[C@@H](c2ccccc2)C1 69653482 LVGIVSZYRKOSQA-LJQANCHMSA-N 308.425 3.101 0 40 DGAB COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69697179 RSAYYYLRMFCXQR-CABCVRRESA-N 322.836 3.047 0 40 DGAB O=C(c1csc(-c2cccc(Cl)c2)n1)N1CCC(O)CC1 69702409 ISHRJSJAHIIBNQ-UHFFFAOYSA-N 322.817 3.060 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)NC2CCC(O)CC2)cc1 69972668 JPCZIBOVENBOTB-GRTSSRMGSA-N 322.474 3.462 0 40 DGAB C[C@H]1C[C@H](C)CCN1C(=O)c1ccc(N2CCCC2=O)cc1 71920659 UINNFBJPLWZSMY-KGLIPLIRSA-N 300.402 3.074 0 40 DGAB O=c1nc(Nc2nccc(-c3ccccc3)n2)[nH]c2ccsc12 72467820 OCSAQTZNZJMRMM-UHFFFAOYSA-N 321.365 3.185 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2cc(C)ccc2C)CC1 73743192 JSTSUSGDXSCUSA-UHFFFAOYSA-N 302.418 3.327 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccc(F)c(F)c2)ccc1F 74932689 FAMNBKLGYLKULL-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)Nc1ccc(OCC2CC2)cc1 77712994 WQEZTSMJZWBGHV-STQMWFEESA-N 306.406 3.004 0 40 DGAB O=C(CSc1ccncc1)Nc1ccc2c(c1)C(=O)CCC2 79022214 ZUGMOFZIIOKCEX-UHFFFAOYSA-N 312.394 3.331 0 40 DGAB C[C@@H]1CN(C(=O)NCc2ccco2)C[C@H](c2ccsc2)O1 89936969 CMMNYBYGERPHOB-BXUZGUMPSA-N 306.387 3.013 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2N[C@H]1CCSc2ccccc21 90223344 SMMBBKWJKCKNOV-KBPBESRZSA-N 300.431 3.248 0 40 DGAB C1=C(CN2CCC[C@H](N3CCCC3)CC2)COc2ccccc21 93563913 SYQJNGBULIRUIQ-IBGZPJMESA-N 312.457 3.413 0 40 DGAB Cc1cnc(CN2CCN([C@@H](C)c3ccccc3F)CC2)o1 95405127 QOMHFMPIPICTGY-AWEZNQCLSA-N 303.381 3.001 0 40 DGAB O=C(N[C@@H]1CCCc2cn[nH]c21)C1(Cc2ccccc2)CCC1 95423940 NIWSGQKYFUSDNO-MRXNPFEDSA-N 309.413 3.316 0 40 DGAB Cc1ccccc1C1(CN[C@@H]2C[C@H](C)OC2=O)CCCCC1 95958792 QCIOSGRLRXIHLB-DOTOQJQBSA-N 301.430 3.491 0 40 DGAB C[C@H](C[C@H](O)c1ccco1)N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 95988021 PZLWGTHUHUFOFC-PYOKUCOHSA-N 305.418 3.029 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)/C=C/c2ccsc2)cc1 96103148 STBZTSYYRRBOCK-MCFICARUSA-N 319.451 3.333 0 40 DGAB Cc1ncc(NS(=O)(=O)Cc2ccccc2)c(C)c1Cl 96182468 FTZNWTKTZNNXJZ-UHFFFAOYSA-N 310.806 3.294 0 40 DGAB COc1cccc([C@H](CNC(=O)/C=C/c2cccs2)OC)c1 96389795 VNIZOSLZBPFDCC-FDMDGMSGSA-N 317.410 3.274 0 40 DGAB COC(C)(C)C[C@H](C)NC(=O)N[C@@H](c1ccccn1)C(C)C 96440623 PUSFECARALSWPC-DZGCQCFKSA-N 307.438 3.282 0 40 DGAB Cc1nc(C[S@](=O)Cc2csc(-c3ccco3)n2)oc1C 97083592 SJKCIWIPFGVRSG-NRFANRHFSA-N 322.411 3.457 0 40 DGAB CCOCCCn1ccnc1-c1cncc(Br)c1 97085727 NBBOKLZEUFQWAQ-UHFFFAOYSA-N 310.195 3.134 0 40 DGAB CC1(C)C[C@@H](NCc2csc([C@H]3CCCO3)n2)C(C)(C)O1 97103341 WTRHASNVJYVSTF-CHWSQXEVSA-N 310.463 3.430 0 40 DGAB CC1(CNC(=O)C2CC=CC2)CCN(C(=O)OC(C)(C)C)CC1 97372281 BCZYLEXLNADUSC-UHFFFAOYSA-N 322.449 3.106 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)no1 106917798 LBECWOBLFVTLCX-XQQFMLRXSA-N 317.414 3.215 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@H]1C[C@@H]2CC[C@@H]1C2 113951237 LKLAZQTUPPBQSF-OMNBBPDLSA-N 303.402 3.157 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4C[C@H](O)CC[C@]34C)[C@@H]1CCC2=O 118914867 ONVVZSHYQMOXLN-TVAXZMIWSA-N 304.430 3.138 0 40 DGAB COc1ccccc1O[C@@H](Cc1cc(C)cc(C)c1)C(=O)O 225037077 AZYCQCANUUSHJI-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CN(C)[C@H](Cc1ccccc1Sc1ccccc1)C(=O)O 225150296 BPWHWTYZPXSSTH-OAHLLOKOSA-N 301.411 3.395 0 40 DGAB Cc1cccc(NC(=O)N[C@@H](Cn2nccn2)c2ccccc2)c1 238922103 UCSXMQRGVIWYLW-KRWDZBQOSA-N 321.384 3.150 0 40 DGAB CC(C)(CNC=O)OC(=O)Nc1ccc(Cl)c(Cl)c1 255187729 GLWKMNPEDCALAV-UHFFFAOYSA-N 305.161 3.067 0 40 DGAB O=C(C1=CCCC1)N1CC2(C[C@H](OCC3CCCC3)CCO2)C1 306141487 VXTUQTLLEAAIDV-QGZVFWFLSA-N 319.445 3.064 0 40 DGAB CC(C)[C@@H](NC(=O)c1sccc1Cl)C1(CO)CCC1 581439027 HTORWZPMNVJGEZ-GFCCVEGCSA-N 301.839 3.319 0 40 DGAB CCOC1(c2nc([C@@]34OCCC[C@H]3C4(F)F)no2)CCCC1 585120373 KAZRRTNKRVKBRN-YGRLFVJLSA-N 314.332 3.146 0 40 DGAB O=C(NC[C@H](O)c1cc(-c2ccco2)cs1)c1ccoc1 1775968751 UMUYNKWXTDPFBN-LBPRGKRZSA-N 303.339 3.065 0 40 DGAB OC[C@@]12CCCC[C@H]1CN(c1nc3ccc(F)cc3s1)C2 1888869993 IEKRUKFMBUPNEF-ZBEGNZNMSA-N 306.406 3.424 0 40 DGAB CC(C)c1nnc(N2CCC(N(C)c3ccccn3)CC2)s1 1889090926 FRNYJNOZRUJIHP-UHFFFAOYSA-N 317.462 3.162 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2Cc3ccccc3C(=O)O2)cc1Cl 1887465 FMYNGGPPMLGVQS-HNNXBMFYSA-N 315.756 3.369 0 40 DGAB COc1ccccc1C(=O)O[C@@H](C)C(=O)Nc1ccc(F)cc1 1981109 UOAXPIILHWAVCY-NSHDSACASA-N 317.316 3.018 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1 2615831 BTCMLQAJIZPACB-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1)Nc1c(F)cccc1F 3224922 AZNOJKLUAOAIPS-MDZDMXLPSA-N 317.291 3.160 0 40 DGAB CCc1ccc2nc(Cl)c(CN(CCOC)C(C)=O)cc2c1 4880669 DKBUQSPSNZKIJI-UHFFFAOYSA-N 320.820 3.446 0 40 DGAB FC(F)(F)c1cnc(-n2cccc2-c2nc[nH]n2)c(Cl)c1 5763719 AIDMJWXGMYZWQN-UHFFFAOYSA-N 313.670 3.330 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)o1 5795568 JVTUESRFIBVIDJ-UHFFFAOYSA-N 304.434 3.059 0 40 DGAB COCc1nnc2sc(Cc3cccc4ccccc34)nn12 6662040 GIFPGYCTRIHLBT-UHFFFAOYSA-N 310.382 3.076 0 40 DGAB CCOc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1 6963348 OQODFCKQRNPTCR-UHFFFAOYSA-N 300.314 3.458 0 40 DGAB CCOc1ccccc1CCC(=O)Nc1nnc(CC)s1 7278781 DUFNQMRCPMSSNC-UHFFFAOYSA-N 305.403 3.071 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccccc2C(F)(F)F)nc1 8184994 BFZPZQFFXRHTQE-UHFFFAOYSA-N 316.304 3.210 0 40 DGAB O=C(CN1C(=O)CC2(CCCC2)C1=O)c1ccc2ccccc2c1 8879638 FTBUUNHYFLMDIA-UHFFFAOYSA-N 321.376 3.342 0 40 DGAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCC1 10051298 QOFAIWULZCDCMA-JTQLQIEISA-N 302.296 3.008 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)c1ccccc1Cl 10737200 WOJBVLJONLIHBS-UHFFFAOYSA-N 313.788 3.428 0 40 DGAB Cc1ccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)cc1 10763108 PPGMKBQGVNDPON-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB CN1C(=O)C(C)(C)COc2cc(NC(=O)C(C)(C)C)ccc21 10971864 UQTSWAQLJLKUKT-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB O=C(N[C@@H]1CC2(CCCC2)Oc2ccccc21)[C@H]1CCCO1 12144741 KPYILEUQJVCYME-GDBMZVCRSA-N 301.386 3.118 0 40 DGAB Cc1c(S(=O)(=O)c2ccc(F)cc2)c(N)n(CC2CC2)c1C 12372582 QDLNBZGEGNHXAZ-UHFFFAOYSA-N 322.405 3.069 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(C)cc1O 12541188 XWALUAUVWUVYAC-UHFFFAOYSA-N 309.369 3.251 0 40 DGAB C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC4)[C@H]3C=C12 12661610 CEOLCSAOVYREMC-DMXPTSQMSA-N 303.446 3.396 0 40 DGAB biogenic C[C@@H](NC(=O)c1ccc(C(N)=O)cc1)c1cc2ccccc2o1 12749894 MWAIXIYMXAAUBI-LLVKDONJSA-N 308.337 3.023 0 40 DGAB CCCCCNC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 12885369 LLKBSCYQGCDUCU-UHFFFAOYSA-N 315.392 3.420 0 40 DGAB O=C(NC1=NCCS1)c1ccc(Oc2ccc(F)cc2)cc1 12973630 JRTXLPWADPOIEV-UHFFFAOYSA-N 316.357 3.451 0 40 DGAB NC(=O)c1ccccc1OCc1ccc(OC(F)(F)F)cc1 13012141 QTUVRESMVDIXFB-UHFFFAOYSA-N 311.259 3.263 0 40 DGAB COC(=O)Nc1scc(-c2ccc(C)c(C)c2)c1C(N)=O 13328753 JHZDSMRJIBDUKB-UHFFFAOYSA-N 304.371 3.309 0 40 DGAB COc1ccc(/C=C2\N=C(C(C)(C)C)OC2=O)c(OC)c1OC 14177371 MBVRRYHKJOIBKT-LUAWRHEFSA-N 319.357 3.055 0 40 DGAB O=C(Nc1ccc(OCc2ccccc2)cc1)c1ccc(=O)[nH]c1 16050265 KESBRNHEZYGSOH-UHFFFAOYSA-N 320.348 3.206 0 40 DGAB CC(C)C(=O)N1CCC[C@H](n2c(=O)oc3ccc(Cl)cc32)C1 19085554 LBYAKFKYLIJMPX-LBPRGKRZSA-N 322.792 3.067 0 40 DGAB CCn1c(C)nc2cc(NC(=O)Cc3c(C)noc3C)ccc21 19657477 SOMQUGPRHMWYEV-UHFFFAOYSA-N 312.373 3.151 0 40 DGAB O=C1CN=C(Nc2ccccc2Cl)N1Cc1cccs1 20143195 QTTRQXUUOHGBKH-UHFFFAOYSA-N 305.790 3.212 0 40 DGAB O=C(Cc1ccc(OC(F)F)cc1)NCc1ccccc1F 20911079 QAUMQVXXIIUUHD-UHFFFAOYSA-N 309.287 3.286 0 40 DGAB O=C(NCCc1ccccn1)c1ccc(-c2ccc(F)cc2)o1 21774138 AKCKRVHQQOCLQT-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)N[C@H](C)c2ccc(F)cc2)c1 22540800 QHHNDIHYKYTVGI-CYBMUJFWSA-N 314.360 3.258 0 40 DGAB CCOCc1cc(C(=O)NCCc2ccccc2)ccc1OC 22836362 GNSZVQANOMOEPI-UHFFFAOYSA-N 313.397 3.204 0 40 DGAB COc1cc2oc(=O)cc(-c3ccccc3)c2cc1CCC(=O)O 23127144 SJBWTUCBGAUSSF-UHFFFAOYSA-N 324.332 3.486 0 40 DGAB biogenic CC(C)(C)C(=O)Nc1ccc(C(=O)COC(=O)C2CCC2)cc1 24046677 RRPARTZKWMKAEU-UHFFFAOYSA-N 317.385 3.197 0 40 DGAB COc1cc(F)ccc1NC(=O)COc1ccc(C)cc1C 25309200 BRROOCIREJOTIA-UHFFFAOYSA-N 303.333 3.469 0 40 DGAB COc1ccc(CC(=O)OCc2nc(C)c3ccccc3n2)cc1 25363224 BGQKVXSUCRGHHA-UHFFFAOYSA-N 322.364 3.233 0 40 DGAB COc1cc(CNC(=O)N[C@H](C)c2ccc(Cl)cc2)ccn1 26306704 DEEPSHSDFXDMHM-LLVKDONJSA-N 319.792 3.304 0 40 DGAB CC(C)Nc1nnc(SCc2nnc(C(C)(C)C)o2)s1 31839811 XHLMGJWTYTYDGP-UHFFFAOYSA-N 313.452 3.331 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)c1cccc(-n2cccc2)c1 32555891 LZWGGHONBONVSY-UHFFFAOYSA-N 316.364 3.284 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2sccc2C)c1 33188370 QNQNVKVUIFGJOV-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB c1cc2c(cc1-c1csc(C3CCNCC3)n1)OCCO2 36179019 ZITHAEYCBVDJLB-UHFFFAOYSA-N 302.399 3.048 0 40 DGAB Cc1nc2sccn2c1CNc1cc(C(=O)O)ccc1F 37305145 CJXMEPSZFALFHO-UHFFFAOYSA-N 305.334 3.154 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1ccc2nsnc2c1 38935433 MQACKXJOBLXPHO-SECBINFHSA-N 303.412 3.114 0 40 DGAB O=C(NCc1ccc(N2CCCCC2)nc1)c1ccccc1F 40539486 VMTPRLVKMOUOLH-UHFFFAOYSA-N 313.376 3.141 0 40 DGAB CC(C)CCC(=O)N1CCN(C(=O)c2cccc(Cl)c2)CC1 43777341 HTJUTMAGOXPXRY-UHFFFAOYSA-N 322.836 3.061 0 40 DGAB Cn1c(C(=O)N2CCO[C@H]3CCCC[C@H]32)cc(Cl)c1Cl 46495119 GUAFDFNKRFQJTL-PWSUYJOCSA-N 317.216 3.116 0 40 DGAB O=C(N[C@@H](c1ccccc1)C1CC1)c1ccnc(-n2ccnc2)c1 48224106 FJXLAGHWPHPKFL-SFHVURJKSA-N 318.380 3.148 0 40 DGAB CN(C(=O)c1ccnc(-n2ccnc2)c1)[C@@H]1CCc2ccccc21 48317439 HJQKGOOFTUAELV-QGZVFWFLSA-N 318.380 3.027 0 40 DGAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@H]3C2)c2c(C)noc2n1 54375459 VEIJEWDCLHFMOT-KGLIPLIRSA-N 313.401 3.492 0 40 DGAB Cc1nccc(-c2cccc(NCC(=O)N3CCC[C@@H](C)C3)c2)n1 57854243 OJMASFRXIGPKQZ-CQSZACIVSA-N 324.428 3.122 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)Oc1cccc2[nH]ncc12 58381074 RQMCPUFKOWYHNH-UHFFFAOYSA-N 308.337 3.036 0 40 DGAB Cc1cc(NC(=O)CS[C@H](C)c2ccccc2F)n(C)n1 64376884 KSFLJWXMXHPBOI-LLVKDONJSA-N 307.394 3.301 0 40 DGAB CC(=O)N1CCC(N(C)Cc2cccc(C(F)(F)F)c2)CC1 64448239 BEUOJHVNTAFDPO-UHFFFAOYSA-N 314.351 3.148 0 40 DGAB O=C1COc2ccccc2CN1Cc1ccc(F)c(Cl)c1 65184346 PRBZGZHRLLZERO-UHFFFAOYSA-N 305.736 3.400 0 40 DGAB COC(=O)C[C@@H](NC(=O)C=C(C)C)c1ccc(SC)cc1 69812113 SZHNUUBDOCYXQC-CQSZACIVSA-N 307.415 3.095 0 40 DGAB CC[C@H]1CCCCN1CCNC(=O)N(C)[C@@H](C)c1ccccn1 71904758 GMUXCGUQLIDVPV-HOTGVXAUSA-N 318.465 3.049 0 40 DGAB CC[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccc(F)cc1 71915836 VYJPNPRSHYNLRD-MRXNPFEDSA-N 302.349 3.320 0 40 DGAB Cc1nc(-c2cccc(NC(=O)N[C@H](C)[C@@H](C)CO)c2)oc1C 71921140 DGNUNBFSTOKFMO-WDEREUQCSA-N 317.389 3.097 0 40 DGAB Cc1cccc(NC(=O)Nc2ccccc2S(C)(=O)=O)c1C 72282526 OGAKQSZBWHWCFI-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB Cc1cc(C(=O)Nc2cnccc2SCCCO)c(C)o1 77014005 NIGNWQQPCWZFGT-UHFFFAOYSA-N 306.387 3.018 0 40 DGAB C[C@@H](NCc1csc(C(C)(C)C)n1)c1nnc2n1CCCC2 84668014 GIQLCJFKPKXUFX-LLVKDONJSA-N 319.478 3.219 0 40 DGAB CSC[C@H](C)NC(=O)c1c(F)cc(Br)cc1F 87315049 JNKLAXHOUBMBDO-LURJTMIESA-N 324.190 3.209 0 40 DGAB COC[C@H]1CCCN(Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 89409932 GVYYTXWDAVHTAW-HKUYNNGSSA-N 319.445 3.103 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@H]1CCC[C@H](C2CC2)C1 89598059 ZAIXUDSYZQGJQN-GJZGRUSLSA-N 317.433 3.355 0 40 DGAB OCC[C@@H]1COCCN1Cc1sc2ccccc2c1Cl 89866547 DIMOFUNOHXHVTG-LLVKDONJSA-N 311.834 3.138 0 40 DGAB Cc1ccc(C)c(OCCc2nnc(NC(=O)C(C)C)s2)c1 95116416 JXBLAAPAXCMOIE-UHFFFAOYSA-N 319.430 3.371 0 40 DGAB O=C(Nc1cnn(-c2ccccc2)c1)N1Cc2ccccc2C1 95401065 WYNQMTLDIVUCPZ-UHFFFAOYSA-N 304.353 3.420 0 40 DGAB CCc1ccc(CNC2CCN(Cc3cscn3)CC2)o1 95415451 UNFFSJHSDRIZGN-UHFFFAOYSA-N 305.447 3.053 0 40 DGAB O=C(N1CCO[C@@H](c2cccc(O)c2)C1)C1(c2ccccc2)CC1 95423996 PUGZSTXCYQLHSO-GOSISDBHSA-N 323.392 3.024 0 40 DGAB Fc1cc(N2CC[C@H](NCc3cscn3)C2)ccc1Cl 95448943 LIMBZKDEKCDLMD-JTQLQIEISA-N 311.813 3.304 0 40 DGAB CCOC[C@H]1CCN(C(=O)NCc2ccc(Cl)c(C)c2)C1 95939525 WAPPHIUNKHNAOE-AWEZNQCLSA-N 310.825 3.216 0 40 DGAB Cc1cccc(CN2CC[C@H]3OCCC[C@]3(COC(C)C)C2)n1 96040504 ZBZVUIRSKQEMEE-RTBURBONSA-N 318.461 3.186 0 40 DGAB CC(C)(CNC(=O)[C@@H]1C[C@@H]1c1cccnc1)c1cccc(F)c1 96411081 DJEIYPRIOJGROG-IAGOWNOFSA-N 312.388 3.418 0 40 DGAB C[C@H](NC(=O)NCCc1cc2ccccc2o1)c1nccs1 96417733 HZIHEOBUDXTEDU-NSHDSACASA-N 315.398 3.492 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc2ncccc2c1 97000749 WPLNFDHDDSQWIX-OAHLLOKOSA-N 312.369 3.094 0 40 DGAB O=C(Nc1c(F)cccc1Oc1ccccc1)N1CC[C@@H](O)C1 97085208 QRDGYGFDYBYEQQ-GFCCVEGCSA-N 316.332 3.217 0 40 DGAB O=[S@@](Cc1ccc(-n2cccn2)cc1)c1ccc(Cl)cn1 97115197 HBCVJJGWNXZQCU-OAQYLSRUSA-N 317.801 3.229 0 40 DGAB CCN1C(=O)CCc2cc(N[C@@H](C)CCn3cccn3)ccc21 97138180 ACCBBQNSSKAIHX-AWEZNQCLSA-N 312.417 3.073 0 40 DGAB CSCc1ccccc1NC(=O)Cc1c(C)nn(C)c1C 97376357 ZNRUNSJPLPIGFG-UHFFFAOYSA-N 303.431 3.081 0 40 DGAB CC1CCN(C[C@H](O)CO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213725 SQZMIYJHRNBYLK-DWRORGKVSA-N 309.494 3.311 0 40 DGAB O=C(CCc1ccc(C(F)(F)F)cc1)Nc1nncs1 107104852 GPPIRHGIZYYKLE-UHFFFAOYSA-N 301.293 3.128 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)CC(=O)C[C@@H]12 118928569 WQROQKOXYPXVEQ-VLWIUUQDSA-N 302.414 3.346 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 141679985 QCKPIKBKCZBMEY-JYILRKAJSA-N 321.298 3.407 0 40 DGAB CCOCCN(CC)C(=O)c1cnc(C)c(Cl)c1Cl 153588823 OZFDSUIPMFSEJC-UHFFFAOYSA-N 305.205 3.195 0 40 DGAB CCn1cc(C(=O)N2CCCCC2)c(=O)c2cc(Cl)ccc21 154749546 FCACWHPQXBUXCE-UHFFFAOYSA-N 318.804 3.301 0 40 DGAB O=C(c1c(F)cccc1Br)N1CCc2cnccc21 183651173 NISDNJABMUWDQB-UHFFFAOYSA-N 321.149 3.186 0 40 DGAB C[C@@H](CN1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 187352280 UEJPCSIBTXKEOM-HNNXBMFYSA-N 322.880 3.240 0 40 DGAB C[C@@H]1C[C@H](CNC(=O)c2cccc(O)c2)CN1Cc1ccccc1 195556823 ZJRLWPBKBXIZCK-NVXWUHKLSA-N 324.424 3.033 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@@H]1CC[C@@H](O)C1)c1cccs1 195578262 GWTTWCCWJFQFIX-MCIONIFRSA-N 310.463 3.296 0 40 DGAB CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)C(C)C 222832963 HKWQUHFKRIQNSX-CYBMUJFWSA-N 324.852 3.239 0 40 DGAB C[C@@H](Sc1nnc(-c2ccc(Cl)cc2Cl)[nH]1)C(=O)O 224974228 XWJBGAYLAPGODF-RXMQYKEDSA-N 318.185 3.344 0 40 DGAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccccc2C)ccc1F 225609662 FLBAQGSWUZTRFV-CYBMUJFWSA-N 307.390 3.482 0 40 DGAB Cn1cnc2cc(C(=O)Nc3ccc4sncc4c3)ccc21 225891051 GRIGBCRKHAJFTI-UHFFFAOYSA-N 308.366 3.435 0 40 DGAB Cc1cc(N2CCCCCC2)nc(NC(=S)NCC(C)C)n1 225892855 GMDNAUXQEBTMNF-UHFFFAOYSA-N 321.494 3.108 0 40 DGAB O=C(Nc1ccc2c3c(cccc13)CC2)N[C@H]1CC[C@H](O)CC1 245534934 YVEIWKIQCDMOCG-SHTZXODSSA-N 310.397 3.363 0 40 DGAB Cc1cn(C(C)C)nc1NCc1cnn(CC(F)(F)F)c1 256050910 GZAMESOHKWZBPW-UHFFFAOYSA-N 301.316 3.143 0 40 DGAB CCCCc1nc(CN2CCC[C@H](Cc3[nH]ncc3C)C2)c[nH]1 257248280 JCXXSRYKNSZKKX-OAHLLOKOSA-N 315.465 3.239 0 40 DGAB O=C(c1cccnc1)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257327344 XAZXRSCWDVUNIT-QYZOEREBSA-N 321.424 3.180 0 40 DGAB Cc1cc(C(F)(F)F)nc([C@]2(C)CCCN2c2ncccn2)n1 257329569 XKMXOPRICUTOHJ-AWEZNQCLSA-N 323.322 3.109 0 40 DGAB O=C1COc2cc(NC(=O)[C@@H]3CCCc4ccccc43)ccc2N1 298883259 YUFLYXPWOARAAM-OAHLLOKOSA-N 322.364 3.076 0 40 DGAB Cc1nc2ccc(NC(=S)N3CCSCC3)cc2s1 408978167 KWYWMPSADHINFV-UHFFFAOYSA-N 309.485 3.350 0 40 DGAB C[C@@H](CC(=O)O)CC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 571060122 JFPOPFQFBXITGN-CJNGLKHVSA-N 321.392 3.250 0 40 DGAB O=C(O)[C@@H]1CCCN1C[C@H]1C[C@@H]1c1ccc(Br)cc1 575424144 VVVQQYBZHHIMOZ-BNOWGMLFSA-N 324.218 3.102 0 40 DGAB CO[C@@H]1CCCN(C(=O)NCC(C)(C)Oc2ccccc2)CC1 584908523 UGOYANSTBXHZMN-OAHLLOKOSA-N 320.433 3.055 0 40 DGAB CN(Cc1ncc[nH]1)Cc1cc(Cl)ccc1OC(F)F 585094325 JOCGOJMASARALT-UHFFFAOYSA-N 301.724 3.297 0 40 DGAB CC(C)c1ncc2c(n1)C[C@@H]1CN(C(=O)c3cccs3)C[C@@H]21 585110025 WAXZWJVSGRHINM-DGCLKSJQSA-N 313.426 3.073 0 40 DGAB C[C@@H](C[C@@H](C)N[C@H]1CCc2ncnn2C1)SC1CCCC1 585135078 WOGFOGIGIULZOD-RDBSUJKOSA-N 308.495 3.025 0 40 DGAB C[C@@H]1OCCC[C@H]1C(=O)Nc1cc(Cl)c(Cl)cc1O 585140179 NSJARYOWCAPKSI-JGVFFNPUSA-N 304.173 3.453 0 40 DGAB O=C(OCc1cccc(Cl)c1)c1cc2c(nc1O)CCC2 585145896 NBLQMZGWXCPDDI-UHFFFAOYSA-N 303.745 3.286 0 40 DGAB O=C(/C=C/c1cccs1)N[C@@H]1CCN(Cc2ccsc2)C1 618257025 PJECBNURROMBLQ-RDFMZFSFSA-N 318.467 3.214 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccccc2OC)cc1 130700 BLTFZZBXIOOZAG-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CC[C@H](C(=O)O)n1cnc2sc(-c3ccccc3)cc2c1=O 144655 AEWDMEJCOMCECV-GFCCVEGCSA-N 314.366 3.161 0 40 DGAB Cc1ccc2[nH]c3c(=O)n(CCc4ccccc4)cnc3c2c1 500622 PJLRTJTXWPDXEU-UHFFFAOYSA-N 303.365 3.429 0 40 DGAB COc1ccc2ccc3c(c2c1)CC[C@H](C(=O)O)[C@H]3CC(=O)O 1596014 TXKQSMYGJLDMBI-HOCLYGCPSA-N 314.337 3.054 0 40 DGAB COc1ccc([C@H](C)c2cc3c(cc2O[C@H](C)O)OCO3)cc1 1612184 WBLLBEGTYCAWSR-NWDGAFQWSA-N 316.353 3.293 0 40 DGAB CCOC(=O)C(C(=O)OCC)c1cnc2ccccc2c1Cl 2022393 JGELNWDYBOKLIS-UHFFFAOYSA-N 321.760 3.098 0 40 DGAB CCCCC(=O)OCc1cc(=O)n2c(n1)sc1ccccc12 3349566 QZPLTCOSALRSOP-UHFFFAOYSA-N 316.382 3.143 0 40 DGAB CSc1ccc(CN2C(=O)NC3(CCCCC3)C2=O)cc1 3505636 NIIUPOTWVXFJCI-UHFFFAOYSA-N 304.415 3.163 0 40 DGAB CCSc1nnc(NC(=O)CCCOc2ccccc2)s1 3517126 JNCUCEFYBFHOET-UHFFFAOYSA-N 323.443 3.448 0 40 DGAB COc1cccc(/C=C2\N=C(c3cccc(C)c3)OC2=O)c1OC 4611339 ORAAYZMUFBSGOG-PTNGSMBKSA-N 323.348 3.357 0 40 DGAB O=C(Nc1cccc2ncccc12)[C@H]1COc2ccccc2O1 4745780 PERFALYUVLKLGO-QGZVFWFLSA-N 306.321 3.013 0 40 DGAB O=C(Nc1cccc(F)c1)c1cccn(Cc2ccccc2)c1=O 4940213 OPTIBXJLYJMLNF-UHFFFAOYSA-N 322.339 3.288 0 40 DGAB c1cncc(CSc2nnc3ccc(-c4ccco4)nn23)c1 5141887 XKAORSCBVZYBHD-UHFFFAOYSA-N 309.354 3.072 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2cc(C)c(Cl)cc2OC)n1 5182437 QEZGCVHEDLWVMN-UHFFFAOYSA-N 307.781 3.436 0 40 DGAB O=C(Cc1coc2ccc3ccccc3c12)NC[C@@H]1CCCO1 6402144 NOPOTUDYAVAYIC-HNNXBMFYSA-N 309.365 3.424 0 40 DGAB Cc1ccc(SCC(=O)Nc2c(C)nn(C)c2C)c(C)c1 6845176 GYBATKSEQMZGRZ-UHFFFAOYSA-N 303.431 3.385 0 40 DGAB CNc1snc(C)c1C(=O)O[C@H](C)C(=O)c1ccc(F)cc1 8132216 CCVLYHXIKNRWLS-SECBINFHSA-N 322.361 3.061 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)N2CCN(c3ccccc3)CC2)cc1 9114771 LGYURHIQXCZADH-QGZVFWFLSA-N 323.440 3.144 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CC=C(c2ccccc2)CC1 9115415 VFMVCXJOXNIECD-UHFFFAOYSA-N 323.421 3.254 0 40 DGAB NC(=O)c1cc(Br)ccc1OCCc1ccccc1 12137793 HJDJPTAEXGYFEZ-UHFFFAOYSA-N 320.186 3.170 0 40 DGAB O=C(NCCCc1ccccc1)c1cn2cc(Cl)ccc2n1 12324076 AQBBZGIKONNRGT-UHFFFAOYSA-N 313.788 3.350 0 40 DGAB Cn1ncc2c(NCc3csc(-c4ccccc4)n3)ncnc21 12777916 IBDFUVNWAJHCRA-UHFFFAOYSA-N 322.397 3.099 0 40 DGAB CCc1cccc(NC(=O)CCNC(=O)c2ccsc2)c1 12939693 WTZGMNICTGNZAG-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB C[C@H](NCc1ccc(OC(F)F)cc1)c1nnc2ccccn12 12980757 LHOJKGGFONOJRY-NSHDSACASA-N 318.327 3.182 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Sc2ccccc2N)cc1 13578921 TWUYAPKWCKTXLI-NSHDSACASA-N 302.399 3.397 0 40 DGAB CCn1c(CN2CC[C@@H]3NCCCCC[C@H]32)nc2ccccc21 19712167 BYTLRSIPKQNBPP-DOTOQJQBSA-N 312.461 3.163 0 40 DGAB CC(C)[C@H]1Oc2ccc(N)cc2N(Cc2ccccc2F)C1=O 20276415 VTLPGEPHFLSVRT-QGZVFWFLSA-N 314.360 3.358 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1cnc2ccccc2n1 21897701 XKRYHGNKCUOWII-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB C[C@@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 22792729 BBKMLEHXXPKAOY-LLVKDONJSA-N 304.777 3.357 0 40 DGAB C[C@]1(C(=O)NCCOc2ccc(Cl)cc2)CC1(Cl)Cl 23746512 PHBHJHYXHBPHGM-GFCCVEGCSA-N 322.619 3.419 0 40 DGAB COC(=O)C[C@@H](NC(=O)Cc1ccc(C)cc1)c1cccs1 25084452 SMWXUBAFIVPDBN-CQSZACIVSA-N 317.410 3.020 0 40 DGAB Cc1ccc(CC(=O)N2CCN(Cc3ccccc3)CC2)cc1C 26114366 CXZKFAYTWSGILV-UHFFFAOYSA-N 322.452 3.190 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@@H](C)[C@H]1CCCO1 27898385 YGMKDASNPLHXQG-GXSJLCMTSA-N 306.387 3.009 0 40 DGAB Cc1cccnc1NS(=O)(=O)c1ccc2c(c1)CCCC2 28247963 GVEPYHXYLGENFP-UHFFFAOYSA-N 302.399 3.070 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)c2ccc3[nH]nnc3c2)c1 28814170 KOQXKJNFADHOJC-UHFFFAOYSA-N 310.357 3.213 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2)cc1C 30287857 HABAASWSUGDVMK-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB Cc1ccc(C(=O)NCCc2cccc3cccnc23)c(O)c1 31420499 LXDQYEHKUZJHNV-UHFFFAOYSA-N 306.365 3.221 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCOCC(C)C)cc1Cl 31750725 GYNMQIDGJVQJJM-UHFFFAOYSA-N 312.797 3.300 0 40 DGAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1ncccc1O 32845112 HIEPWMCZXYXYNG-UHFFFAOYSA-N 324.380 3.268 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)Cc1cccc(Cl)c1 36391665 OIJBKAVHHDCPKJ-JTQLQIEISA-N 306.793 3.235 0 40 DGAB CCOC(=O)c1cnc2cc(C(F)(F)F)ccc2c1N(C)C 40164040 UXFQOZUWNVTLFB-UHFFFAOYSA-N 312.291 3.496 0 40 DGAB Cc1nc(CNCc2csc(-c3ccccn3)n2)cs1 40443891 PSFAOMGHWMIMLR-UHFFFAOYSA-N 302.428 3.260 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1cccnc1S 42852874 QSSABJHBJRORMR-RKDXNWHRSA-N 304.337 3.221 0 40 DGAB Cc1ccc(Cc2cnc(NC(=O)c3cnccn3)s2)cc1C 44631910 ZBIYZFHYQGQCKP-UHFFFAOYSA-N 324.409 3.393 0 40 DGAB Cc1cc(C)n(C(=O)CCc2nc(-c3ccccc3C)no2)n1 44842147 FREMKEJNKOFXAG-UHFFFAOYSA-N 310.357 3.131 0 40 DGAB O=C(CNc1cc(F)ccc1F)NCC1(c2ccccc2)CC1 50782679 RRZJHTMMBSBVMG-UHFFFAOYSA-N 316.351 3.225 0 40 DGAB NC(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(Cl)cc1 64604804 WFDOJBSPLAFVFG-UHFFFAOYSA-N 314.772 3.032 0 40 DGAB c1cc(Oc2ccc3nnnn3n2)ccc1NC1CCCCC1 65547865 BFTCLOJMRRPNFJ-UHFFFAOYSA-N 310.361 3.056 0 40 DGAB C[C@@H](Cn1cccn1)NCc1cccc(OCc2ccccn2)c1 69375390 DCLDWEUVKWGAML-INIZCTEOSA-N 322.412 3.035 0 40 DGAB O=C(NCc1ccccn1)c1cc(-c2cccc(Cl)c2)no1 69389531 VDXNXCGQOGLPRJ-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB O=C1CC[C@@H](CNc2ncnc3sc(-c4ccccc4)cc23)N1 69773341 QPQLBLQMBUMXQU-LBPRGKRZSA-N 324.409 3.049 0 40 DGAB Cn1c(SC[C@@H]2CCCCO2)nnc1-c1ccccc1F 69898344 TVAURJCVJNIRCO-NSHDSACASA-N 307.394 3.282 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@H]1Cn1cccn1 70039872 NHCGYEJTTFDTSB-ZDUSSCGKSA-N 301.415 3.127 0 40 DGAB Cc1nc(-c2ccc(N(C)Cc3ccccc3)nc2)[nH]c(=O)c1C 71882451 BPEJGUNHFPGBIG-UHFFFAOYSA-N 320.396 3.085 0 40 DGAB COc1ccc(-c2cc(-c3cccs3)nc(N)n2)c(OC)c1 71977495 TTYSBPRZJBZDST-UHFFFAOYSA-N 313.382 3.472 0 40 DGAB COC(=O)c1cc(Cl)cc(NC(=O)CCc2cscn2)c1 72290155 GEBUVJPHICCDBH-UHFFFAOYSA-N 324.789 3.154 0 40 DGAB C[C@H](SCc1ccccc1)C(=O)NCCC1CCN(C)CC1 78578738 LNNJYKWWVCPCDA-HNNXBMFYSA-N 320.502 3.156 0 40 DGAB C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@H]1N(C)C 78896678 DROJLFJQKLIIQH-ORAYPTAESA-N 323.440 3.134 0 40 DGAB C[C@H](CCNC(=O)[C@@H]1CCOC1)c1cccc(C(F)(F)F)c1 78966933 RIYGUDWSHHKEEU-DGCLKSJQSA-N 315.335 3.352 0 40 DGAB Cc1ccc(C(=O)N(C)[C@@H](c2ccccc2C)C(C)C)c(=O)[nH]1 78997461 JZVZWUOQLWEAFT-QGZVFWFLSA-N 312.413 3.461 0 40 DGAB Cc1cccn2cc(CCNc3ncc(Cl)cc3F)nc12 79301993 SFVDTWCALPPIOG-UHFFFAOYSA-N 304.756 3.485 0 40 DGAB CCc1cccc(NC(=O)NC2CCC(CN(C)C)CC2)c1 83825714 WQAWLKQKDFBIKK-UHFFFAOYSA-N 303.450 3.491 0 40 DGAB Cc1[nH]c(=O)ccc1C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2 84028820 XPWYVGNJHFQBBT-LBPRGKRZSA-N 310.397 3.053 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C1CC1 84823530 PMUKNVLMXDIVJT-LBPRGKRZSA-N 316.184 3.065 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)c2ccc(Cl)cc2)c(C)o1 85561295 SNVVIHUXWUOLID-OAHLLOKOSA-N 307.777 3.403 0 40 DGAB Cc1noc(C)c1N(C)C(=O)Nc1cccnc1OC(C)C 89532482 HKDUUVJTRUUJKY-UHFFFAOYSA-N 304.350 3.142 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCC[C@H]1NC1CCSCC1 89662580 DRLNDFUTPYYWAA-TZMCWYRMSA-N 314.495 3.165 0 40 DGAB CC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@H](C)C1 89937665 VHVFHTLSFCAHDU-WBMJQRKESA-N 302.443 3.248 0 40 DGAB Cc1ncc([C@@H](C)N[C@H](C)c2cn(-c3ccccc3)nn2)c(C)n1 90449925 OZYFYKGFYWFBJI-TZMCWYRMSA-N 322.416 3.086 0 40 DGAB Cc1ccc(NC(=O)NC2CC=CC2)cc1O[C@H]1CCOC1 95414282 ZJVILHFEUXHVNN-HNNXBMFYSA-N 302.374 3.003 0 40 DGAB Oc1cccc2c1CC[C@H]2NC1CCN(Cc2ccccn2)CC1 95421931 VWIWOHLYHYZFMD-LJQANCHMSA-N 323.440 3.029 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)CCc1ccc(F)cc1F 95433950 RBLVUBWEPGYYRR-UHFFFAOYSA-N 305.324 3.262 0 40 DGAB COc1cc([C@@H](C)NCCc2cn3ccccc3n2)ccc1F 95982153 DAJAQSMZQQLOCW-CYBMUJFWSA-N 313.376 3.375 0 40 DGAB CC(C)OC[C@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 96040513 LAPUEBVKYADKKT-NVXWUHKLSA-N 323.458 3.184 0 40 DGAB C1CCC(N2CC[C@@H]3O[C@@H](c4nnc(C5CC5)o4)C[C@H]3C2)C1 96045987 WVIRFXJWXYZHAI-AEGPPILISA-N 303.406 3.042 0 40 DGAB Cc1ccc(CN2C[C@H]3C(=O)N(c4ccccc4)C[C@H]3C2)s1 96053582 XXPYSZHYRBUERZ-RHSMWYFYSA-N 312.438 3.151 0 40 DGAB CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(C)s1)C2 96056797 DTQQCEULVMFKQV-IRXDYDNUSA-N 309.475 3.464 0 40 DGAB COCc1cc(C)nc2sc(-c3snnc3C)c(N)c12 96336492 WHXCJXGQCVYCJP-UHFFFAOYSA-N 306.416 3.160 0 40 DGAB Cc1ncsc1CNC(=O)NCCc1cc2ccccc2o1 96417723 SGNSBIKRIPEWOV-UHFFFAOYSA-N 315.398 3.240 0 40 DGAB CO[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1 96426593 HOHAKEUXRNWUEA-HNNXBMFYSA-N 320.776 3.323 0 40 DGAB O=C([C@@H]1C[C@H]1c1cccnc1)N(Cc1ccccc1)CC(F)F 96432657 NQYWOHKZKLMKSD-JKSUJKDBSA-N 316.351 3.479 0 40 DGAB COc1ncc(C)cc1NC(=O)C[C@@H]1OCCc2ccccc21 96445014 JRIHEZNFIZDPJL-INIZCTEOSA-N 312.369 3.041 0 40 DGAB COc1ncc(C)cc1NC(=O)c1ccc(Br)o1 96445030 PGUOUYDCBJDEAN-UHFFFAOYSA-N 311.135 3.006 0 40 DGAB CC1(C)C[C@@H](NC(=O)Nc2ccc3c(c2)COC3)C(C)(C)O1 96496575 KGUWZBMDTPYVLO-CQSZACIVSA-N 304.390 3.184 0 40 DGAB CNS(=O)(=O)c1cccc([C@@H](C)Nc2ccc(C)cc2)c1 97037042 FJUMAUCNXBGDQC-CYBMUJFWSA-N 304.415 3.076 0 40 DGAB Cc1nc(CNC(=O)N(C)C[C@@H](C)c2nccs2)c(C)s1 97086409 MAYSOFFTZMLPTH-SECBINFHSA-N 324.475 3.162 0 40 DGAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)Nc1ccncc1F 97135722 RJARNZOHJBIGCT-UHFFFAOYSA-N 313.254 3.302 0 40 DGAB O=C(Nc1ccncc1F)N1CCc2c(F)cc(F)cc2C1 97136082 QRTUROZSSDEVQA-UHFFFAOYSA-N 307.275 3.089 0 40 DGAB O=C(NC1C[C@H]2CCC[C@H](C1)N2Cc1cccs1)C1CC1 100425618 LVXGCGTZFCANHR-HUUCEWRRSA-N 304.459 3.160 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)C2)CC1 100768862 FMQDMQUOYGUJQW-JQHSSLGASA-N 300.446 3.158 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1C 101276576 FQSHNRPKNNGNJZ-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB O=C(N[C@@H](c1cc(F)ccc1F)C1CC1)N[C@@H]1C[C@H]2CC[C@H]1O2 108106057 CYNKYAOHECPYCO-RAEVTNRLSA-N 322.355 3.035 0 40 DGAB CN(C)C(=O)NC1CC2(CCN(CC3CCCCC3)CC2)C1 108524439 XXMBRPAPRYJWCD-UHFFFAOYSA-N 307.482 3.083 0 40 DGAB Cc1cccnc1CN1CCC2(CC1)CC(Nc1ncccn1)C2 108527660 YKJWJTZMQZVEHH-UHFFFAOYSA-N 323.444 3.037 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)NC[C@H](C)c2nc(C)cs2)C1 110714673 SZOLNFVSYWFELV-ZMLRMANQSA-N 313.492 3.138 0 40 DGAB C[C@@H](N[C@@H]1C=C[C@H](CO)C1)c1ccc(Br)cc1F 127784165 CXUGOEDRMDKTOM-JFGNBEQYSA-N 314.198 3.176 0 40 DGAB C[C@H](CN(C(=O)c1cc2cc(Cl)ccc2[nH]1)C1CC1)C(=O)O 195551919 QXYYQMVMGXPISQ-SECBINFHSA-N 320.776 3.147 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)NC(C)C 222945453 YKAUGHQUQFTFDD-QGZVFWFLSA-N 318.461 3.161 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NCC(C)C 224591612 FQHZLYXZPMJTJO-QGZVFWFLSA-N 318.461 3.284 0 40 DGAB O=C(NCCSCc1ccccc1Cl)c1cccnc1 225427951 IMVRZLYJZOTKHC-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB O=S(=O)(NCc1ccco1)c1ccc2c3c(cccc13)CC2 226861771 JKBMCOQSNGPTPY-UHFFFAOYSA-N 313.378 3.010 0 40 DGAB C[C@H](C(=O)NCc1ccccc1)N1C(=O)CCCc2ccccc21 227168541 MRQSYKNQWZYEST-OAHLLOKOSA-N 322.408 3.061 0 40 DGAB Cc1nc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(=O)N3)cs1 257173610 SFZXNTBKUXKKSQ-UHFFFAOYSA-N 315.398 3.324 0 40 DGAB CN(C)c1nc([C@H]2CCCN2C(=O)C(C)(C)C)cn2cccc12 257279918 OISGAMXZEUTLAS-CQSZACIVSA-N 314.433 3.110 0 40 DGAB CC(=O)CC(C)(C)Cc1nc(Cc2ccc3c[nH]nc3c2)no1 585084272 WEXUYZIAVADFQW-UHFFFAOYSA-N 312.373 3.085 0 40 DGAB Cc1oc(C(C)(C)C)cc1C(=O)N1CCC[C@]2(CCN2C)C1 585101845 IWUXNTVJSSXQOU-SFHVURJKSA-N 304.434 3.196 0 40 DGAB Cc1cc(-c2cnc3ccc(Cl)cn23)nc([C@H]2CCCN2)n1 643550836 OSUJFHYHOPYDGC-GFCCVEGCSA-N 313.792 3.178 0 40 DGAB CCc1cc(C(F)(F)F)nn1[C@H](CC(=O)O)C(F)(F)F 675031756 MFGYMHRELSOAPP-SSDOTTSWSA-N 304.190 3.042 0 40 DGAB CN(C)c1ccc(C(=O)N2CC[C@@H](c3cccs3)C2)cc1 828157986 JMCPSBWVTNGVQN-CQSZACIVSA-N 300.427 3.444 0 40 DGAB CCOC(=O)c1sc(COc2ccc(C=O)cc2)nc1C 953019474 AUCHZVMFPWFPMV-UHFFFAOYSA-N 305.355 3.020 0 40 DGAB CN(C[C@H]1CCCN2CCCC[C@@H]12)C(=O)Nc1ccccc1 1565519546 CPBGZZHMGMCDSR-WBVHZDCISA-N 301.434 3.415 0 40 DGAB biogenic Cc1cc(C(=O)NC[C@H](N)c2ccc(C(C)C)cc2)ns1 1579564058 SMRBDBGVSCELCJ-AWEZNQCLSA-N 303.431 3.005 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CC(COc2cccnc2)C1 1776001703 HJNQXEPCMKZQJD-UHFFFAOYSA-N 317.776 3.278 0 40 DGAB O=Cc1nc(Br)c(-c2ccc(F)cc2Cl)[nH]1 1857794918 VNJKWQBXVWHKIA-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB CC(C)c1nc2ccccc2n1C1CN(c2ncc(F)cn2)C1 1888879064 NLJAIGQWOCFGBW-UHFFFAOYSA-N 311.364 3.150 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(C(C)=O)cc2)cc1 245610 AFTLFNJKDSCURE-UHFFFAOYSA-N 311.337 3.318 0 40 DGAB O=C(NC[C@@H]1CCCO1)[C@H]1CC1(c1ccccc1)c1ccccc1 553039 QOZSPGKNMOQHOC-RBUKOAKNSA-N 321.420 3.288 0 40 DGAB Brc1ccccc1[C@@H]1NC(c2ccccc2)=NO1 3238316 WRHPNBSQUJFECI-CQSZACIVSA-N 303.159 3.429 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)c1 3443010 RMGUYFPKAXAFAL-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@H]2CCCc3ccccc32)c1 3519529 VOHFACDMJMHQHP-IBGZPJMESA-N 323.392 3.462 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc(Oc2ccccc2)c(N)c1 3886657 ZRQLYUUWIWGBPH-UHFFFAOYSA-N 320.414 3.092 0 40 DGAB CC(C)CCn1cnc2c(cnn2-c2cccc(Cl)c2)c1=O 4479093 YULXRWSJEXMKJT-UHFFFAOYSA-N 316.792 3.282 0 40 DGAB CCCCOCCCNC(=O)c1ccc(NC(=O)CCC)cc1 4696275 VSDNLWRJDBUVEU-UHFFFAOYSA-N 320.433 3.362 0 40 DGAB Cc1cc(C)c(C)c(S[C@@H](C(=O)NC(N)=O)C(C)C)c1C 5039741 UMUWXUHFGOSYCN-CYBMUJFWSA-N 308.447 3.232 0 40 DGAB O=C1N/C(=C/c2cccc(F)c2)C(=O)N1Cc1ccc(F)cc1 6526442 RLQMYLLAGLGYFG-OQLLNIDSSA-N 314.291 3.058 0 40 DGAB CC[S@@](=O)c1ccccc1C(=O)NCc1ccc(C)cc1 6882017 XCPNPNCGRKEGDG-NRFANRHFSA-N 301.411 3.053 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccccc2F)c1 7217496 HNVFEVXNOPSKLA-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB O=C(NC1CCCCCC1)[C@@H]1CC(=O)N(c2ccccc2F)C1 7397751 LMWPTOCLAIASAX-CYBMUJFWSA-N 318.392 3.018 0 40 DGAB S=C(NC[C@@H]1CCCO1)Nc1cc(Cl)cc(Cl)c1 7559357 PCWFIGSGOOCNPI-NSHDSACASA-N 305.230 3.459 0 40 DGAB Oc1ccc(-n2nnnc2SC/C=C/c2ccccc2)cc1 8516128 DFRUADGVQZUISY-QPJJXVBHSA-N 310.382 3.173 0 40 DGAB O=C(CCc1nnc(-c2ccccc2)o1)N1CCc2ccccc21 8924329 BUISJOVOFJOHDR-UHFFFAOYSA-N 319.364 3.259 0 40 DGAB O=C(Cc1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 9899876 NUBCRBFTLJRBEA-UHFFFAOYSA-N 308.356 3.434 0 40 DGAB Cc1ccc(-n2ccnc2S[C@H]2CCCCNC2=O)cc1C 10271233 DKFSVQLTVIPHNG-HNNXBMFYSA-N 315.442 3.250 0 40 DGAB CCOCCCNC(=S)Nc1ccnn1C1CCCCC1 11077953 AHQRSLZNJAJVTA-UHFFFAOYSA-N 310.467 3.101 0 40 DGAB CCCC(=O)Nc1nonc1-c1ccc(Br)cc1 11917297 UFSQTLPJPRRVHV-UHFFFAOYSA-N 310.151 3.238 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Cn2nc(C)c(C)c2C)cc1 12420449 DXOMSZYQHDDYPR-NSHDSACASA-N 313.401 3.286 0 40 DGAB OC[C@@H]1CCCN(Cc2ncc(-c3ccc(Cl)cc3)o2)C1 12818544 NLLLFXRZDRRSNR-GFCCVEGCSA-N 306.793 3.199 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C)c2nc3ccccc3c(=O)[nH]2)n1 14162686 IJFDNJRSHCQBOW-SECBINFHSA-N 315.402 3.018 0 40 DGAB CCC(=O)N1C[C@@H](c2ccccc2)[C@H]2[C@H]1CCCCCN2C 19499213 FGRXXZGIBAJEMN-SCTDSRPQSA-N 300.446 3.265 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)OCc1nnsc1Cl 21251002 IIEWRHQQEFOVOB-UHFFFAOYSA-N 321.789 3.349 0 40 DGAB Oc1c([C@H](c2ccccc2)N2CCCCC2)sc2ncnn12 23643581 LZHOGGNPJVKSLR-ZDUSSCGKSA-N 314.414 3.072 0 40 DGAB Cn1cc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)cn1 25306435 BJXVZYQUVMSYCZ-UHFFFAOYSA-N 316.361 3.019 0 40 DGAB Cc1cccc(N2CCN(c3ncnc4ccsc34)CC2)c1 28625031 NHSYRLGYQZLEEL-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCC[C@@H]1c1cccnc1 29304091 ZNHBXEQVXKJVJA-CYBMUJFWSA-N 321.302 3.473 0 40 DGAB C[C@H](NC(=O)Cn1ccnc1)c1ccc(-c2ccccc2)cc1 29594224 IOAZCULGEXQIID-HNNXBMFYSA-N 305.381 3.428 0 40 DGAB O=C(OCc1ccc(-n2cccn2)cc1)c1ccc2c(c1)CCO2 31060137 UVZKRNJKCCEHJD-UHFFFAOYSA-N 320.348 3.164 0 40 DGAB COc1ncccc1CNC(=O)c1cc2cc(C)ccc2nc1C 31321474 UKLBSIUAQJWYIJ-UHFFFAOYSA-N 321.380 3.185 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(Cl)c[nH]1 32777127 IFAYIMKXUUDSLL-UHFFFAOYSA-N 307.733 3.236 0 40 DGAB COc1ncccc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33215165 QPLDVMLORJNZGO-UHFFFAOYSA-N 309.325 3.361 0 40 DGAB Cc1noc2nc3c(c(C(=O)Nc4ccccc4F)c12)CCC3 36358592 NRSHTKDGGXJLLD-UHFFFAOYSA-N 311.316 3.411 0 40 DGAB CCOC(=O)[C@H](NC(C)C)c1ccc(Br)cc1 37446373 DTOANJXXAAASEK-GFCCVEGCSA-N 300.196 3.051 0 40 DGAB biogenic,in-vitro O=C(/C=C/c1ccc2c(c1)CCO2)NCC1(c2ccccc2)CC1 40047008 FCADTJTXLKYQIZ-VQHVLOKHSA-N 319.404 3.483 0 40 DGAB CCCOc1ccccc1NC(=O)CCCCCNC(C)=O 40461932 RXCOBNIEIGQFNY-UHFFFAOYSA-N 306.406 3.110 0 40 DGAB COc1cccc(OCC(=O)Nc2ccc(OC(C)C)cc2)c1 40946379 KTRRVUKXYVUZNU-UHFFFAOYSA-N 315.369 3.500 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1)c1cc(-c2ccno2)cs1 44922048 BIFGLFULTUEPEG-UHFFFAOYSA-N 324.358 3.343 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)NCc2ccc(N(C)C)nc2)C1(C)C 46387276 QSFDTRIMHCFJMA-GDBMZVCRSA-N 301.434 3.002 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC=CCC2)c1 48342650 XJAASDGZUCRXRM-ZBFHGGJFSA-N 314.429 3.187 0 40 DGAB O=C(CC[S@@](=O)Cc1ccc(F)cc1)Nc1ccccc1 58098701 BKBDQSPICSIPSG-NRFANRHFSA-N 305.374 3.103 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1c(F)cccc1F 58289754 LWMIJWYWVSPYPS-UHFFFAOYSA-N 313.307 3.081 0 40 DGAB CC1(C)CC[C@H](NC(=O)CCNc2ncccn2)c2ccccc21 58417897 HWUIWDJEMMBCPC-INIZCTEOSA-N 324.428 3.208 0 40 DGAB Cc1noc(NC(=O)CSCc2cccc3ccccc23)n1 58485529 QDAPXHNGHKJELN-UHFFFAOYSA-N 313.382 3.403 0 40 DGAB COCc1cccc(N[C@@H](C)C(=O)NCc2cccs2)c1 62640076 DDYRMDXJFCICBK-LBPRGKRZSA-N 304.415 3.011 0 40 DGAB Cc1nc(C(=O)N(C)CCC(C)C)nn1-c1ccccc1Cl 63928527 BQEDKSBAHSQVRQ-UHFFFAOYSA-N 320.824 3.347 0 40 DGAB CC(C)[C@H](NC(=O)Cc1ccccc1F)c1nc(C2CC2)no1 65476794 RNZDRTCKMQCRFF-HNNXBMFYSA-N 317.364 3.142 0 40 DGAB CCC(=O)N1CCC[C@H]1[C@H]1CCCN1c1nc2ccccc2o1 69601390 LMWMPQOOQIVMIA-LSDHHAIUSA-N 313.401 3.198 0 40 DGAB CC(=O)Nc1cc(C(=O)Nc2ccc(Cl)nc2)ccc1F 69775857 CMPCWFGBWVCHBT-UHFFFAOYSA-N 307.712 3.085 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@H]2[C@H]2CCCN2C)c1 69973921 XWRYPKRUCXHHBA-SJORKVTESA-N 318.486 3.248 0 40 DGAB Cc1cc(CNS(=O)(=O)Cc2ccccc2Cl)c(C)o1 70640429 KYPWRFOYFCNBQL-UHFFFAOYSA-N 313.806 3.169 0 40 DGAB Cc1occc1C(=O)NCCCn1ncc2c(Cl)cccc21 71196082 DHOSSMVVLFBIBU-UHFFFAOYSA-N 317.776 3.411 0 40 DGAB O=C(c1cn(Cc2ccccc2)nn1)N1CCC[C@@H]1C1CCCC1 71818540 WQHVGMSVGAKITF-GOSISDBHSA-N 324.428 3.121 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@H]2CCCC[C@H]21 71826691 MLZGOOQPAJKGPN-NVXWUHKLSA-N 324.424 3.183 0 40 DGAB COc1ccccc1OCC(=O)N1CCCc2cccc(F)c21 71835922 YLNXTXNJSABBFH-UHFFFAOYSA-N 315.344 3.193 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1ccc(F)cc1 71859213 BCBMMJLHJPYWPQ-MCMMXHMISA-N 319.401 3.126 0 40 DGAB Cc1csc(CNC(=O)N(Cc2ccccc2F)C2CC2)n1 72301253 NPISJICCABUEHR-UHFFFAOYSA-N 319.405 3.465 0 40 DGAB CC(=O)N1CCC(c2csc(Nc3ccccn3)n2)CC1 72363487 YOOVPFARGQSPMM-UHFFFAOYSA-N 302.403 3.008 0 40 DGAB Cc1cccnc1Nc1cncc([C@H]2CCCN2CC2CC2)n1 72376296 SGAQDXHPPYBQQI-MRXNPFEDSA-N 309.417 3.471 0 40 DGAB Cc1cnc(CN(C)[C@H](c2ccc(F)cc2)c2ncccn2)o1 72630003 ATKIIOGHQBARRQ-MRXNPFEDSA-N 312.348 3.134 0 40 DGAB CCc1nc([C@@H]2CCCN2Cc2nc(C)c3ccccc3n2)no1 75573230 SFACMINXPQXUER-HNNXBMFYSA-N 323.400 3.221 0 40 DGAB C[C@H](CNC(=O)Nc1ccccc1)CN(C)C(=O)OC(C)(C)C 78644765 FAOIYSGTETVAJG-CYBMUJFWSA-N 321.421 3.311 0 40 DGAB O=C(OC1CCN(C(=O)c2ccccc2F)CC1)C1CCCC1 78989067 BBCITRMUXLQYDW-UHFFFAOYSA-N 319.376 3.164 0 40 DGAB COCCCn1cnnc1S[C@H]1CCc2ccc(F)cc21 79001382 FEBFHFZGUZQIHG-AWEZNQCLSA-N 307.394 3.233 0 40 DGAB CC(C)CNC(=O)CN1C[C@H]2CCCC[C@@]21c1ccccc1 79103700 DMXWLEXAWLMSNQ-IEBWSBKVSA-N 300.446 3.160 0 40 DGAB CCn1cc([C@H]2OCC[C@@H]2CNCc2ccc(C)s2)cn1 83843514 CTJVURCZVWOREV-CJNGLKHVSA-N 305.447 3.140 0 40 DGAB COc1cc(CCNC(=O)[C@H](C)c2ccc(C)s2)ccc1O 84403601 WPKSUTCHFQXXPA-GFCCVEGCSA-N 319.426 3.233 0 40 DGAB COc1cccc([C@H](C)CC(=O)Nc2nc(C(C)C)nn2C)c1 84542761 LAWZIUQKCCHALQ-GFCCVEGCSA-N 316.405 3.079 0 40 DGAB Cc1nc(CCNC(=O)N[C@H](C)Cc2cccs2)sc1C 89559343 POXZNYKHQXPIFN-SNVBAGLBSA-N 323.487 3.294 0 40 DGAB CCC[C@H](NC(=O)NCc1nccn1C)c1ccc(F)cc1F 89949733 GQHBMXJPWJDSOA-AWEZNQCLSA-N 322.359 3.039 0 40 DGAB CCCn1ccnc1-c1cccc(NC(=O)[C@@H]2CCCOC2)c1 89960760 IUFBTNQJDZYOSU-OAHLLOKOSA-N 313.401 3.325 0 40 DGAB CCCc1nc(NC(=O)N2CCC(OC)CC2)sc1CC 95404006 YEUOPPOSZYNTNE-UHFFFAOYSA-N 311.451 3.301 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)Nc2cnc(C3CC3)nc2)C1 95411756 ZKKQOXPXKXVBLO-KGLIPLIRSA-N 320.462 3.492 0 40 DGAB COc1cc(C(=O)N(C)C)ccc1NC(=O)CC1=CCCCC1 95963973 NEGLGMQVCRRADK-UHFFFAOYSA-N 316.401 3.226 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@H](C)N[C@@H](C)Cn1cncn1 95967512 IXFBHKAVRNKNLE-QWRGUYRKSA-N 307.467 3.080 0 40 DGAB CCc1ccc([C@H](C)NCCc2ccc(S(C)(=O)=O)cc2)o1 95968554 PSHKQVVORFPVSS-ZDUSSCGKSA-N 321.442 3.139 0 40 DGAB Cc1cccc([C@H](NC(=O)Nc2cccnn2)c2ccccn2)c1 95980589 LIPHEQOXWBOCKZ-KRWDZBQOSA-N 319.368 3.091 0 40 DGAB C[C@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccccc1C(=O)O 95991810 IGVAKTSETRULGA-BBRMVZONSA-N 303.402 3.355 0 40 DGAB CC(C)(C)c1nnc(NCc2c[nH]nc2-c2cccnc2)s1 95992294 JPWJYHRNXCINEU-UHFFFAOYSA-N 314.418 3.233 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2-c2nncn2CC)o1 96404124 UMWAQIDRVWLCKE-UHFFFAOYSA-N 310.357 3.373 0 40 DGAB COc1ccccc1C[C@H]1CCCN1c1cnnc(O)c1Cl 96452669 FTYVWVWOGSQJND-GFCCVEGCSA-N 319.792 3.056 0 40 DGAB Cc1ccnc([C@@H](NC(=O)Nc2ccc(F)cc2F)C2CC2)n1 96502801 HZQSUERWNRSRKH-AWEZNQCLSA-N 318.327 3.336 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)C[C@@H](C)c2ccccc2)[C@@]12CCCO2 97115742 VWCXRSMXFMPBQP-XZKMEQPCSA-N 317.429 3.023 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)Nc3cccc(C)n3)C2)cc1 97142747 DXNBJVQUXKZQDF-HNNXBMFYSA-N 311.385 3.420 0 40 DGAB C[C@@H](O)CCN(C)C(=O)N[C@@H](c1cc2ccccc2o1)C1CC1 97228812 RBJVWKQEBXRPEO-SJKOYZFVSA-N 316.401 3.296 0 40 DGAB COc1c(N)cc(F)c(OC(F)(F)F)c1Br 98211088 CIKFNPSYVUOVCB-UHFFFAOYSA-N 304.037 3.078 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@H]3[C@H](C2=O)[C@H]2C=C[C@H]3C23CC3)c(C)c1 101110522 QBBAWFDMPDVLTB-KLHDSHLOSA-N 307.393 3.313 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 105697767 CGTQUDZXKYLKLL-WIRVQXDCSA-N 315.413 3.209 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1C[C@@H]2CC[C@@H]1C2 113951232 LKLAZQTUPPBQSF-KFZJALRRSA-N 303.402 3.157 0 40 DGAB COC(=O)c1cnc(OCC(F)(F)F)c(C2CCCC2)c1 146189639 TYUKMLGFHNLQRT-UHFFFAOYSA-N 303.280 3.467 0 40 DGAB CO[C@@H]1CC[C@@H](NC(=O)N[C@@H](c2ccccc2)c2ccco2)C1 190109475 KUKGAHWTSVVQRS-INMHGKMJSA-N 314.385 3.236 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 223385925 DQVXNVWKXBCIJI-UHFFFAOYSA-N 323.371 3.179 0 40 DGAB Cc1cc(C)cc(C(=O)NCc2nccc(N3CCCCC3)n2)c1 224160854 HBMXGBYALFOVAA-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)N[C@H](C)CC 225090883 SGIOUKOTNBGMRG-CABCVRRESA-N 304.434 3.037 0 40 DGAB Cc1cccnc1NC(=S)NCc1ccc(-n2ccnc2)cc1 225455335 GVQRKNJTESMUKX-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB COc1ccc(C(=O)NCc2cccnc2-c2cccnc2)cc1 225641956 QCBDZHMJCZQCTG-UHFFFAOYSA-N 319.364 3.082 0 40 DGAB CCCCOc1ccc(NC(=O)[C@](C)(OC)C2CC2)c(C)n1 225891642 IUKASUOCKFNXPK-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)CCc2ccccc2F)n1 257339658 ZCQVQKXVBJHCKB-HNNXBMFYSA-N 301.365 3.154 0 40 DGAB O=C(O)c1ccc(CSc2nnc(-c3ccccn3)o2)cc1 408580888 FDRVJZMNFOKUJE-UHFFFAOYSA-N 313.338 3.122 0 40 DGAB c1cn(-c2ccc(CN3CCC[C@H]3[C@H]3CCCOC3)cc2)cn1 516766592 ZAWFEWHDSIFSLN-HKUYNNGSSA-N 311.429 3.263 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1ccc(OC(F)(F)C(F)F)cc1 575361021 NWSVRJABUNFDDA-UHFFFAOYSA-N 322.254 3.448 0 40 DGAB CCOCC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2o1 585087716 KNVULXCHWXQXIJ-INIZCTEOSA-N 324.380 3.264 0 40 DGAB C=CC(=O)N[C@H](C(C)C)[C@@H](O)c1cccc(C(F)(F)F)c1 585124851 VVVSAHPYHKXFAE-KGLIPLIRSA-N 301.308 3.066 0 40 DGAB C[C@@H](CC(=O)N1CC[C@H](c2ncc[nH]2)C1)Cc1cccc(F)c1 585126730 GYVFWKSIEHSZQB-HIFRSBDPSA-N 315.392 3.134 0 40 DGAB Cc1cc(C)nc(N2CCC(COc3ncccc3C)CC2)n1 585525737 AVTUIUWFMKJFBL-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB O=C(c1cccc(F)c1I)C(F)(F)F 604221517 GWFANURJUAQLRM-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 1775995515 APUYECZUVMQLGK-CYBMUJFWSA-N 324.371 3.053 0 40 DGAB O=C(CC1CC1)N1CCC(COc2ccncc2Cl)CC1 1848735330 FEFULGJIRGCROD-UHFFFAOYSA-N 308.809 3.153 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)NCc1ccc(C)cc1 574356 ILDCSVJETBSTJV-VAWYXSNFSA-N 311.381 3.342 0 40 DGAB CCN(CC)c1ccc(NC(=S)NC(=O)C2CCC2)cc1 1003840 MLJQRFJOPRGMKO-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB O=c1c2cc(Br)ccc2nc(-c2ccccc2)n1O 1401805 BDEXPOXRURNOLM-UHFFFAOYSA-N 317.142 3.063 0 40 DGAB Cc1ccccc1NCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C 2255717 GJQRSVANRABPSC-ACJLOTCBSA-N 300.402 3.176 0 40 DGAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)NC1CCCC1 2649621 MARIJBMBPKHEEM-ZDUSSCGKSA-N 311.381 3.444 0 40 DGAB COc1ccc(Nc2nnc(S[C@H](C)C(C)=O)s2)cc1 3348031 ATKGWXADUUNACS-SECBINFHSA-N 309.416 3.360 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2cccc(N(C)C)c2)cc1 3400124 ZXRVQTNVNQNYMC-CQSZACIVSA-N 311.381 3.489 0 40 DGAB Cc1cccc(C(=O)OCC(=O)NC2CCCCCCC2)c1O 3457993 XQWOVVOBZDPQSV-UHFFFAOYSA-N 319.401 3.087 0 40 DGAB COc1cccc(-c2nn(Cc3ccccc3)cc2C(=O)O)c1 3491492 NKPCQTXTFOCIHP-UHFFFAOYSA-N 308.337 3.305 0 40 DGAB O=C(Nc1nccs1)c1ccc(Br)cc1F 4070175 NWTORYMGBBOMDG-UHFFFAOYSA-N 301.140 3.297 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2ccccc2C)cc1 5086837 UFASZOZXBRMTRO-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB Cc1cc(C(=O)COC(=O)c2cccn2C)c(C)n1C(C)C 5204988 JTGYZIKQWHVUGV-UHFFFAOYSA-N 302.374 3.064 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cccc(Br)c1 5555395 YSDBIPXKHCILAQ-UHFFFAOYSA-N 320.142 3.430 0 40 DGAB Cc1cc(C)cc(OCC(=O)c2c(O)c3ccccc3oc2=O)c1 5730327 KRDMAVVKHGDJRG-UHFFFAOYSA-N 324.332 3.377 0 40 DGAB COc1cccc(C2=Nn3c(nnc3-c3ccccc3)SC2)c1 6647360 RDVVSYBCBDREFT-UHFFFAOYSA-N 322.393 3.312 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1 7068574 PBJYQMSIQXUBQL-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB O=C(Nc1cccc(-c2nc3ncccc3o2)c1)C(F)(F)F 7387517 PUWHOBFYSHVVIU-UHFFFAOYSA-N 307.231 3.391 0 40 DGAB COc1cc(/C=C/C(=O)Nc2nccs2)cc(Cl)c1OC 7654857 GMZBJQKVMYUNFJ-ONEGZZNKSA-N 324.789 3.466 0 40 DGAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(C)cc2C)CC1 8679608 PKSNDPDEPATJHY-UHFFFAOYSA-N 319.405 3.046 0 40 DGAB CCc1cccc(NC(=O)c2cnn(-c3ccccn3)c2C)c1 8715152 JGLJWFBKXFLKRW-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB CC(=O)Nc1cccc(C(=O)O[C@H](C)C(=O)c2ccccc2)c1 9449464 FNEUPONHDSZEFA-GFCCVEGCSA-N 311.337 3.073 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2ccccc2Cl)cc1 10670427 RGKKOGROWILRQJ-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2C)cn1 11574496 AGABRSFFGFGYAF-UHFFFAOYSA-N 311.385 3.251 0 40 DGAB COc1cccc(-c2cc(CC(=O)NCCC(C)C)no2)c1 11693173 CTXZPAKIUUAFAK-UHFFFAOYSA-N 302.374 3.055 0 40 DGAB CCN(CC)C(=S)SCC(=O)Nc1nc(C)c(C)s1 11725878 QIUHWPPBSICPDN-UHFFFAOYSA-N 317.505 3.058 0 40 DGAB Cc1ccc(-c2nnc([C@H](C)N3C[C@H](C)O[C@H](C)C3)o2)cc1 13164097 VMKDHCXPMCCRML-MJBXVCDLSA-N 301.390 3.215 0 40 DGAB CCc1nnc(NC(=O)Cc2ccc(C(F)(F)F)cc2)s1 14016778 DDPZGDURYAINKC-UHFFFAOYSA-N 315.320 3.301 0 40 DGAB NC(=O)c1ccccc1NC(=O)/C=C/c1nc2ccccc2s1 14129073 XABYSZMCXHAVAV-MDZDMXLPSA-N 323.377 3.047 0 40 DGAB C/C=C/c1ccc(OCC(=O)NCc2ccco2)c(OC)c1 16020800 UVBMENQZQBEMEO-HWKANZROSA-N 301.342 3.017 0 40 DGAB Cc1nn(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@@H]1C 16022743 JTXLUWWJDPQIGX-ZDUSSCGKSA-N 318.380 3.167 0 40 DGAB CN(CCCNC(=O)C1CCCCC1)C(=O)C1CCCCC1 19074957 HOCCGGBSYJFRGG-UHFFFAOYSA-N 308.466 3.112 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1cccc(C(F)(F)F)c1 24069743 BPBCWZNGCZJRKH-UHFFFAOYSA-N 312.291 3.169 0 40 DGAB COc1cc(CNC(=O)c2cccs2)ccc1OC(F)F 24076854 QBMBVNXUMBLJIX-UHFFFAOYSA-N 313.325 3.288 0 40 DGAB CC(C)n1ncc2cc(C(=O)NCCc3cccs3)cnc21 24924223 PTNJSUOUYVWBFI-UHFFFAOYSA-N 314.414 3.046 0 40 DGAB Cc1[nH]c2c(C(=O)N[C@H]3CCCc4c3cnn4C)cccc2c1C 24995177 TUQURXCMXRDYMS-INIZCTEOSA-N 322.412 3.326 0 40 DGAB CN(Cc1ccsc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 26301404 HWLRUNGCASGLKH-UHFFFAOYSA-N 319.817 3.270 0 40 DGAB COC(=O)c1cc(Cl)c(C)c(I)c1 26508430 YLJUMFCAQGZAIZ-UHFFFAOYSA-N 310.518 3.040 0 40 DGAB CNc1nc(S[C@H](C)C(=O)NC(C)(C)C)nc2ccccc12 26593493 RWDLQZSJAOJONA-SNVBAGLBSA-N 318.446 3.067 0 40 DGAB Cc1cccnc1NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1 27936707 VVJXYYNNTKZUDS-UHFFFAOYSA-N 324.306 3.121 0 40 DGAB Cc1cccc2nc(COc3cccc(Cl)c3)cc(=O)n12 28139884 KNDPRAIWDMEMJB-UHFFFAOYSA-N 300.745 3.235 0 40 DGAB Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccccc2C[C@H]1C 28226574 GNEMULMETKIILV-LLVKDONJSA-N 323.318 3.188 0 40 DGAB O=c1[nH]ncc(NCc2ccc(Cl)cc2Cl)c1Cl 29162753 NYENCNHKMYOPGX-UHFFFAOYSA-N 304.564 3.342 0 40 DGAB O=C(CC1CCCC1)N1CCN(c2nc3ccccc3o2)CC1 29529154 BDZVOKOPHQCMJZ-UHFFFAOYSA-N 313.401 3.057 0 40 DGAB CCc1nc(COC(=O)c2cc(Br)c[nH]2)cs1 30687030 LLHNSKKSJLCJAO-UHFFFAOYSA-N 315.192 3.153 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cccnc2Cl)c(Cl)c1 32895076 KMUABTGHKMJQJH-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB O=C(NCCOc1cccc(Cl)c1)c1ccc2c(c1)CCO2 36391325 HQYDNUJJDLHNST-UHFFFAOYSA-N 317.772 3.084 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1ccc(-c2ccccc2)cc1 40115318 QBMGHVKXZBQGDT-HNNXBMFYSA-N 305.381 3.369 0 40 DGAB CCc1ccc2c(CNc3cccc(C(N)=O)c3)cc(=O)oc2c1 40460101 ZNYXMYKAQCXNLB-UHFFFAOYSA-N 322.364 3.066 0 40 DGAB CCNC(=O)c1cccc(CNC(=O)C[C@@H](C)c2ccccc2)c1 40536109 MKALJZOAVRGKKR-OAHLLOKOSA-N 324.424 3.246 0 40 DGAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)N1CCCCC1 41184783 OLWIUQWFGJQYHY-UHFFFAOYSA-N 319.792 3.335 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1cc2c(s1)CCCCC2 42532342 CTDWKWPZJZIXPY-LBPRGKRZSA-N 303.431 3.032 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccccc2)c1C 44625171 XKCIPRPMLVYBBO-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB Cc1nc(C2CC2)nc2sc(C(=O)NCC3CC3)c(C)c12 44907293 GIZXGVQRWJXTMW-UHFFFAOYSA-N 301.415 3.325 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)NCc1nc(C)cs1 44967446 QSGZNFGREWEADA-SNVBAGLBSA-N 323.393 3.160 0 40 DGAB COc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1 47691199 ATSRQTBEHINKMH-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CCCOC(=O)c1ccc(NC(=O)NCc2ccco2)cc1 48020394 AAYYOPXWYNLHOO-UHFFFAOYSA-N 302.330 3.168 0 40 DGAB CN(C)c1nc2sc(C(=O)N(C)C3CCCC3)cc2s1 48890392 NMPDHCPUDPVHST-UHFFFAOYSA-N 309.460 3.438 0 40 DGAB CN1CC[C@H](CN(C)Cc2ccc3cccc(Cl)c3n2)C1 56682337 DFNIKCRYFFWXPL-ZDUSSCGKSA-N 303.837 3.272 0 40 DGAB CCOC(=O)c1ccoc1CN1CCC[C@H]1c1cc(C)no1 69445107 VKIZIDVPENKLKM-ZDUSSCGKSA-N 304.346 3.090 0 40 DGAB Cc1ccc2oc(C(=O)N3CCC[C@H]3Cn3cccn3)cc2c1 69876632 NIZLTZSWEGNVCX-HNNXBMFYSA-N 309.369 3.243 0 40 DGAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@H]1c1ccccn1 71841465 CJLLMYLLGBFKCF-AWEZNQCLSA-N 319.792 3.328 0 40 DGAB O=C(Cc1c[nH]c2cc(Cl)ccc12)Nc1ccc(Cl)nn1 72281618 BHZHIWYHGBPETD-UHFFFAOYSA-N 321.167 3.446 0 40 DGAB CCOc1c(F)cccc1C(=O)N(C)[C@H](C)c1ccccn1 74725009 RLYGEQNJAGXPFS-GFCCVEGCSA-N 302.349 3.453 0 40 DGAB CSC[C@@](C)(O)CNC(=O)c1ccc(-c2ccccc2)cc1 75157262 QYGRDIFSLLARMI-SFHVURJKSA-N 315.438 3.197 0 40 DGAB O=C(NCc1cnn2ccccc12)c1c(F)cccc1Cl 75162741 HFCSFVQKMBHZBU-UHFFFAOYSA-N 303.724 3.057 0 40 DGAB CSc1ccc(NC(=O)NCC(C)(C)C[C@H](C)O)cc1F 76082019 CHQZOIJWAXOCGG-JTQLQIEISA-N 314.426 3.466 0 40 DGAB C[C@@H](CNC(=O)NC[C@@H](O)c1ccsc1)Cc1cccs1 76088997 MCPSSQOJWNOBEY-BXUZGUMPSA-N 324.471 3.021 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H]1C[C@@H]2NCc1ccccc1 77031813 HFIAICRLCXYAAE-OAGGEKHMSA-N 302.418 3.174 0 40 DGAB C[C@@H](C(=O)Nc1ncccn1)N(C)Cc1cccc2ccccc12 77169536 GJLHZSJENLZLLN-AWEZNQCLSA-N 320.396 3.089 0 40 DGAB O=C1NCCCC[C@@H]1SCc1cc(F)cc2cccnc12 78555722 GLDCQFZANPYUMJ-AWEZNQCLSA-N 304.390 3.276 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@@](C)(CO)C2CC2)c1 84656160 GDUMKCXAJJOTPD-BZNIZROVSA-N 308.447 3.393 0 40 DGAB C[C@H](C(=O)N1CCCCC[C@@H]1/C=C/c1ccccc1)n1cncn1 84838994 WBJFMJVWKNWQTN-OFHUKCQUSA-N 324.428 3.324 0 40 DGAB Cc1ccsc1-c1cc(NC(=O)c2ncncc2Cl)[nH]n1 85517685 IVLUBVNAAHYXGO-UHFFFAOYSA-N 319.777 3.142 0 40 DGAB FC(F)(F)COc1cccc(CN2CCOC[C@@H]2C2CC2)c1 90009128 FVLVOFSLJRTGCX-OAHLLOKOSA-N 315.335 3.239 0 40 DGAB COC(=O)CC1CCN(Cc2cnc3ccsc3c2)CC1 92434861 DHFLSJBCIDRLDU-UHFFFAOYSA-N 304.415 3.071 0 40 DGAB COc1ccc(CN2CCCN([C@@H]3CC[C@@H](C)C3)CC2)cc1 95455302 NJINLYLLAGYQDW-SJLPKXTDSA-N 302.462 3.392 0 40 DGAB CCc1cc2c(N3CC[C@@H](C(C)(C)C)[C@H](O)C3)ncnc2s1 95467558 GBSWORCXEXGTOI-ZIAGYGMSSA-N 319.474 3.487 0 40 DGAB Cc1cccc(Cl)c1NC(=O)COC(=O)Cc1ccsc1 95471787 LQMQPDMHKJZHHN-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB COCC1(C)CCN(c2nc(Cc3ccc(F)cc3)no2)CC1 95983786 JNCQLNPWYLJFCM-UHFFFAOYSA-N 319.380 3.052 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1c(F)cccc1Cl 95985946 ZYRHLXJFECYEDY-QMMMGPOBSA-N 324.787 3.108 0 40 DGAB Cn1nccc1C(=O)Nc1ccc(-n2ncc3ccccc32)cc1 95987072 VOXLGWYQNAETDY-UHFFFAOYSA-N 317.352 3.011 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@@H]21 96008095 WOSSNUQWYOUKGV-MJEQTWJJSA-N 319.449 3.444 0 40 DGAB CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(OC)cc1)C2 96056799 HGJXULPVWFKQRR-MOPGFXCFSA-N 319.445 3.103 0 40 DGAB COC(=O)N1CCc2ccc(NC(=O)c3ccsc3)cc2C1 96096238 XEFRDMFPGXCSJU-UHFFFAOYSA-N 316.382 3.125 0 40 DGAB CO[C@H]1CCN(C(=O)c2cccnc2)C[C@@H]1Cc1cccc(C)c1 96110526 WETPJGLQOOIUAA-OALUTQOASA-N 324.424 3.110 0 40 DGAB Cc1cccnc1CNc1nc(-c2ccccn2)nc2c1CCC2 96408668 XXRVUPHCKLOKOX-UHFFFAOYSA-N 317.396 3.343 0 40 DGAB c1cc(-c2noc(C3CC3)n2)cc(-c2nc([C@H]3CCOC3)no2)c1 96462704 VAWHGHKCKXSOHQ-ZDUSSCGKSA-N 324.340 3.168 0 40 DGAB CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@@H](O)c1ccco1 96475271 WNPLOITWEFNGCZ-CQSZACIVSA-N 321.804 3.352 0 40 DGAB O=C(O)CCc1ccc(NC(=O)Cc2noc3ccccc23)cc1 97018969 INHBHPVUKJJSBQ-UHFFFAOYSA-N 324.336 3.026 0 40 DGAB c1csc(-c2n[nH]cc2CN2CCC[C@H](c3ccn[nH]3)C2)c1 121204431 PJJFSXWVZJEKPW-LBPRGKRZSA-N 313.430 3.241 0 40 DGAB NC(=O)c1cc(NCc2cnc(Cl)s2)ccc1Cl 195546489 QMFSAOOFRUSVAG-UHFFFAOYSA-N 302.186 3.161 0 40 DGAB CCOc1ccc(C)cc1NC(=O)c1ccc(OC)c(N)c1 216877420 IVHDTPHOZKVLEW-UHFFFAOYSA-N 300.358 3.237 0 40 DGAB O=C(C1CCOCC1)N1CCS[C@H](c2cccs2)CC1 219513464 POACYXLBNGZOEG-AWEZNQCLSA-N 311.472 3.181 0 40 DGAB COC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1C 225760636 FGAHTORXVDQVQZ-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB O=C(NCc1ccncc1)c1ccc2nc(Cl)sc2c1 225977022 YBFZYOZQDDDUNL-UHFFFAOYSA-N 303.774 3.275 0 40 DGAB CCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1Cl 227153645 VBZIXBMAAAZXGN-UHFFFAOYSA-N 321.808 3.209 0 40 DGAB O=C(CCC1CCNCC1)NCCc1csc2ccccc12 237956970 SMAWQSQZODFKEA-UHFFFAOYSA-N 316.470 3.340 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@@H](c4ccn[nH]4)C3)coc2c1 257241761 HZMQVCBLBHVKSZ-CQSZACIVSA-N 323.396 3.413 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(C(=O)Cc3cccs3)C2)c1 257283349 OXXIUYOYOCBRGR-CYBMUJFWSA-N 315.442 3.052 0 40 DGAB Cc1ccc(C(=O)N2CCC(C)(c3nccs3)CC2)cn1 257329567 XKMNQEDUNPIYAY-UHFFFAOYSA-N 301.415 3.040 0 40 DGAB Cc1ccc(C(=O)N2CCCC[C@]3(C)NC(=O)CCC[C@H]23)s1 257343579 ZTOBNDOZOWEMDO-YOEHRIQHSA-N 320.458 3.110 0 40 DGAB Cc1ccc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)cc1 306143292 XXYJWNJRDLGYEY-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB C[C@@]1(C2CCNCC2)CCCCN(Cc2ccccc2)C1=O 585169370 DRCBBDRJZRBDHM-IBGZPJMESA-N 300.446 3.205 0 40 DGAB Cc1ncsc1C(=O)Nc1cnc(Oc2ccccc2)nc1 585432879 ARJYMYRGEAGKHJ-UHFFFAOYSA-N 312.354 3.286 0 40 DGAB Cc1ccc(C(=O)N2CC[C@@H](C)[C@@H](C(=O)O)C2)c2ccccc12 1594345077 XSFPWABDRINEIR-DYVFJYSZSA-N 311.381 3.331 0 40 DGAB c1ccc(CCNc2ncnc3c2cnn3-c2ccccc2)cc1 97650 WATVEGJMUSVOKA-UHFFFAOYSA-N 315.380 3.470 0 40 DGAB CC1CCN(C2CCN(Cc3ccc4c(c3)OCO4)CC2)CC1 207748 FUYMIQWXQMLGDE-UHFFFAOYSA-N 316.445 3.112 0 40 DGAB C[C@H]1C[C@H](C)CN(c2ncnc3c2cnn3-c2ccccc2)C1 544673 DBVCYPVFCZUJDE-KBPBESRZSA-N 307.401 3.298 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccccc1 2645140 PLCOWYWDBBRCQR-KRWDZBQOSA-N 316.832 3.302 0 40 DGAB O=C(Nc1ncc(Br)cn1)c1cc2ccccc2o1 2751139 WFEUHFRUTZLJDR-UHFFFAOYSA-N 318.130 3.238 0 40 DGAB O=C(COC(=O)C1CCC1)Nc1cccc(Cl)c1Cl 3228055 DVEGZPOIVWZSSR-UHFFFAOYSA-N 302.157 3.275 0 40 DGAB O=C(c1ccc(N2CCCC2=O)cc1)N1CCc2ccccc2C1 3429048 CRBVMJHWQQUJMA-UHFFFAOYSA-N 320.392 3.012 0 40 DGAB COc1ccccc1CNC(=O)CSc1ccc(F)cc1 3492382 XKDJGAUPOOBHBM-UHFFFAOYSA-N 305.374 3.243 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1CCCc1ccccc1 4287872 FIWZIRWSWIGWIN-UHFFFAOYSA-N 300.402 3.264 0 40 DGAB O=C(NCCc1ccccc1)C1(c2cccs2)CCOCC1 4478972 NHIISYZIHQCDMN-UHFFFAOYSA-N 315.438 3.155 0 40 DGAB COc1cc2nc(NC(=O)c3ccco3)sc2cc1OC 4479903 QDDOREJQNHHIRD-UHFFFAOYSA-N 304.327 3.159 0 40 DGAB COC(=O)c1cn(C(=O)COc2ccccc2)c2ccccc12 4599391 XHJXUQFCGSBMNW-UHFFFAOYSA-N 309.321 3.147 0 40 DGAB CC[C@H](C)NC(=O)C1CCN(CCCc2ccccc2)CC1 4691572 FENCWBAKEAQKTN-INIZCTEOSA-N 302.462 3.246 0 40 DGAB Oc1ccc(-c2nnc(S[C@@H]3CC3(Cl)Cl)o2)cc1 4735860 OVPNSZIDIJUZFR-MRVPVSSYSA-N 303.170 3.481 0 40 DGAB CC(=O)Oc1cccc2c1CC[C@H]1C[C@@H](OC(C)=O)CC[C@@H]21 4825746 SAIMRXPMKMAUGJ-SOUVJXGZSA-N 302.370 3.374 0 40 DGAB CCCn1cnc2cc(NC(=O)COc3ccccc3)ccc21 4941509 XMRHVCMAZNUCHN-UHFFFAOYSA-N 309.369 3.464 0 40 DGAB CN(Cc1ccccc1)c1ccc2nnc(-c3ccccc3)n2n1 5051379 KPHIZDWHJHCYJM-UHFFFAOYSA-N 315.380 3.428 0 40 DGAB CCc1cccc2c(C(=O)COC(=O)c3cccc(O)c3)c[nH]c12 5076721 QMGKJAMFNBJFCH-UHFFFAOYSA-N 323.348 3.476 0 40 DGAB CC(=O)Nc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1 5120620 RPVANYFBDSPRRR-UHFFFAOYSA-N 324.446 3.036 0 40 DGAB CN1CCC(N(C)C(=O)c2cc(Cl)cc(Cl)c2)CC1 5446842 VPBAKDUMLHRTMB-UHFFFAOYSA-N 301.217 3.160 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=S)NCc1ccccc1 6966881 LTKRWNQEFYDJRW-UHFFFAOYSA-N 300.383 3.180 0 40 DGAB Cc1ccc2c(CC(=O)Nc3ccc(C(N)=O)cc3)coc2c1C 7769725 CIYHGRRABNZRGH-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CC(=O)Nc1ccccc1F 7947055 USYGVVAKUDONEC-UHFFFAOYSA-N 303.381 3.476 0 40 DGAB C[C@@H](NC(=O)c1cc2ccccc2oc1=O)c1ccc(F)cc1 8285628 RJXHSUONPSLRMU-LLVKDONJSA-N 311.312 3.423 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)N2CCCCCC2)o1 8342664 CVTJXELGZYDASA-UHFFFAOYSA-N 321.402 3.133 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2occc2C)c1C 9050841 WGWDLNGHVXRFFV-GFCCVEGCSA-N 317.341 3.164 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@@H]1C2)C1CCN(Cc2ccccc2)CC1 9062539 ACHAGXCFPCJKQR-UHOSZYNNSA-N 312.457 3.203 0 40 DGAB Cc1ccc(C)c(-n2ncc3c(N4CCCCC4)ncnc32)c1 9627534 LBLZUHWWGUPDSE-UHFFFAOYSA-N 307.401 3.423 0 40 DGAB O=C1c2ccccc2C(=O)N1c1cccc(OC[C@H]2CCCO2)c1 10296284 KMKPOWQTPKDJQL-OAHLLOKOSA-N 323.348 3.045 0 40 DGAB CCOc1ccccc1-c1nn2c(CC(C)C)nnc2s1 11278607 QJSNHAUXXJLJCK-UHFFFAOYSA-N 302.403 3.450 0 40 DGAB Cc1nnsc1C(=O)NC1(c2ccc(F)cc2)CCCC1 12143130 ZDMBRLWARHHIEY-UHFFFAOYSA-N 305.378 3.185 0 40 DGAB COc1ccc(CSc2nc3ccccc3c(=O)[nH]2)cc1F 13683008 QOHWEXSOIQNRLI-UHFFFAOYSA-N 316.357 3.363 0 40 DGAB Cc1ccc(CN2C[C@@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 16028487 YJBBNFPNYQPTRN-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)c1cc(=O)[nH]c2ccccc12 16043956 TZXHFRRZIIJJOB-UHFFFAOYSA-N 318.254 3.198 0 40 DGAB O=C(Cc1csc(Nc2cccc(Cl)c2)n1)NC1CC1 16850328 NXTPUCDLSKSAGT-UHFFFAOYSA-N 307.806 3.361 0 40 DGAB Cc1ccccc1NC(=O)c1ncn(-c2ccc(Cl)cc2)n1 17193673 YINJASFIXKCYSG-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Fc1cccc(CN2CC[C@H](c3nc(-c4cccnc4)no3)C2)c1 19293786 PDSMFJJFGNRRGH-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB CCCCCOc1ccc(C(=O)CCN2CCOCC2)cc1 19313996 AAMQJFZBGZTKIG-UHFFFAOYSA-N 305.418 3.161 0 40 DGAB O=C(CN1CCOCC1)Nc1ccc(C2CCCCC2)cc1 19333094 NWZOPWPFPPJILN-UHFFFAOYSA-N 302.418 3.005 0 40 DGAB Cc1cc(OCC(=O)N[C@@H](C)c2cccc3ccccc23)no1 23433841 WDFQBUQANNUQLV-ZDUSSCGKSA-N 310.353 3.392 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H](c2ccsc2)N(C)C)cc1 25330866 FSVXLPUHQFFQIA-INIZCTEOSA-N 302.443 3.018 0 40 DGAB Cc1cc(-c2nnc(SCc3c(F)cccc3F)o2)nn1C 28579032 JTODZZSHMGLKLO-UHFFFAOYSA-N 322.340 3.349 0 40 DGAB CCCCN(CC)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1 29606366 ISPROXSJTFKDMK-MRXNPFEDSA-N 318.417 3.066 0 40 DGAB CN(Cc1cnn(-c2ccccc2)c1)C(=O)NCCC(C)(C)C 31143191 DRFIGBFXJVBYME-UHFFFAOYSA-N 314.433 3.450 0 40 DGAB COCCN(Cc1ccccc1)C(=O)c1cc2ccccc2[nH]1 31481861 NBYUZNNCNQMNDU-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2cccs2)no1 32797232 HSAKZHBGZCDLTC-VXGBXAGGSA-N 305.403 3.209 0 40 DGAB COCc1cccc(C(=O)NC[C@H](C)N(C)c2ccccc2)c1 32931206 IXSUMDHMEJPBSY-HNNXBMFYSA-N 312.413 3.088 0 40 DGAB Brc1nc(Br)c(Br)s1 39208371 HIHZUHHBVUBFIS-UHFFFAOYSA-N 321.819 3.431 0 40 DGAB CC[C@@H](C)c1ccc(S(=O)(=O)N(C)c2ccccn2)cc1 40030663 ZVXYYABHKOMSFX-CYBMUJFWSA-N 304.415 3.420 0 40 DGAB O=C(C[C@H]1C=CCC1)NCc1ccc(N2CCCCCC2)nc1 40122083 YGHYZKOGSXQYIA-INIZCTEOSA-N 313.445 3.435 0 40 DGAB CC(C)(C)c1cn2nc(NCCc3ccccn3)sc2n1 40490522 DZXOMMGQBVICQN-UHFFFAOYSA-N 301.419 3.138 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc(F)cc2Cl)cn1 43262846 QIMYXKIHIHIDSC-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB Cc1ccc(CCC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 44902699 AYMNKTGZNRVCMF-UHFFFAOYSA-N 319.408 3.430 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@@H]1Cc1cccc(F)c1 46626808 RFCUSXYXDJDBPL-SJORKVTESA-N 305.393 3.318 0 40 DGAB CC(C)(C)c1nc(CN2CCN(c3nccs3)CC2)cs1 48058975 ZUOKJXBZYGGDFP-UHFFFAOYSA-N 322.503 3.219 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CCO1 48310469 VTFQCTAPOSGPTP-JTQLQIEISA-N 322.817 3.324 0 40 DGAB C[C@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(C(N)=O)c1 53264385 ASCUJGUZTZYGRJ-ZDUSSCGKSA-N 319.408 3.386 0 40 DGAB Cc1ccc(C(=O)C2CCN(C(=O)NCC(C)C)CC2)cc1 56781415 VAYBOORUSUQEFQ-UHFFFAOYSA-N 302.418 3.255 0 40 DGAB CCN(CC)CCOc1ccccc1NC(=O)c1ccccn1 57996401 QUVQMYNTIYDVLN-UHFFFAOYSA-N 313.401 3.055 0 40 DGAB Cn1ccnc1SC[C@@H](O)COc1ccc2ccccc2c1 58159842 HXIYLTGRDUAFRE-HNNXBMFYSA-N 314.410 3.105 0 40 DGAB FC(F)(F)c1nc(Br)cc(Br)n1 62151857 TXYFNXKWKULTFM-UHFFFAOYSA-N 305.879 3.020 0 40 DGAB O=C(NC1CCN(c2nc3ccccc3s2)CC1)C1CCC1 64457786 YSVSTEYYYDUIEZ-UHFFFAOYSA-N 315.442 3.181 0 40 DGAB CCCCNC(=O)COc1ccccc1-c1nc(C(C)C)no1 64579750 HPUPJXHJNYDYDO-UHFFFAOYSA-N 317.389 3.155 0 40 DGAB O=C1COc2ccc(Cl)cc2CN1Cc1ccc(F)cc1 65184383 FUUCIWOXQQBOJQ-UHFFFAOYSA-N 305.736 3.400 0 40 DGAB C/C(=C/c1ccccc1)CNCCc1nnc2n1CCCCC2 67698235 FKJMJDZTNZYJQO-PEZBUJJGSA-N 310.445 3.240 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)[C@H](C)OCC2CC2)CC1 69416633 FANWYJFWALBUMK-HNNXBMFYSA-N 316.445 3.213 0 40 DGAB C[C@H](c1ccc(C(F)(F)F)cc1)N1CCC(CC(N)=O)CC1 69518651 SUXAXPVCYOOIRO-LLVKDONJSA-N 314.351 3.354 0 40 DGAB Cc1noc(C)c1Cc1nn2c(-c3cccs3)nnc2s1 71288351 GSZKFZZLCLLMKN-UHFFFAOYSA-N 317.399 3.110 0 40 DGAB Cn1ncc2c1CCC[C@H]2NCc1csc(C(C)(C)C)n1 71825216 DKLCAWXSZXCNQQ-CYBMUJFWSA-N 304.463 3.341 0 40 DGAB CCOc1ccc(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72211819 ZEEWPZDWHVSGGO-UHFFFAOYSA-N 322.405 3.358 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)n1 72273882 KZQXXEQCTRMUIM-GXTWGEPZSA-N 308.447 3.320 0 40 DGAB O=C(NCCc1nc(C2CCCCC2)cs1)C1CCOCC1 72275264 IAEDNMDXXIWGCI-UHFFFAOYSA-N 322.474 3.276 0 40 DGAB O=C(Cc1ccccc1)N1CC[C@H](Cc2cnc3[nH]ccc3c2)C1 72368680 RFYGEPNZMBVWKJ-MRXNPFEDSA-N 319.408 3.197 0 40 DGAB O=C(O)[C@]1(Cc2cccc(-c3cccs3)c2)CCCNC1 72391787 GPHZCCSRUQJSSL-KRWDZBQOSA-N 301.411 3.412 0 40 DGAB Clc1ccc2c(N3CCO[C@H]4CCCC[C@@H]43)ncnc2c1 75103503 PMLGQPZVNQQXIP-GJZGRUSLSA-N 303.793 3.431 0 40 DGAB CCOc1ccc(CCNC(=O)C(C)=C(C)C)cc1OCC 75106442 KQGICLNSLADVGS-UHFFFAOYSA-N 305.418 3.499 0 40 DGAB CO[C@H]1CCC[C@@H](OC(=O)c2ccccc2-c2cncnc2)C1 76020682 ABXOHOVCEVNNJP-LSDHHAIUSA-N 312.369 3.258 0 40 DGAB CC1(C)[C@@H](OC(=O)CCC(=O)c2ccccc2)[C@@H]2CCO[C@H]21 76090499 UXGMBKDINCDIER-XYPHTWIQSA-N 302.370 3.006 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)CSC(C)(C)C)cc2)CCO1 76445065 KBSGYIBNNXNUJB-ZDUSSCGKSA-N 322.474 3.382 0 40 DGAB O=C(OCCCc1cccnc1)c1ccccc1-c1cncnc1 78060440 CZXXKUVTMJWKSL-UHFFFAOYSA-N 319.364 3.328 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CSc1ccnc2ccccc12 79021240 CLXXJMHJZSSVSG-UHFFFAOYSA-N 312.398 3.306 0 40 DGAB CCOC(=O)c1ccc(CNC(=O)Nc2ccc(F)cc2C)o1 79777175 RSIRMFWUMNUTKW-UHFFFAOYSA-N 320.320 3.226 0 40 DGAB CCOC(=O)Cn1c(-c2ccc(N)cc2)nc2cc(C)c(C)cc21 82238018 YZZXHUUWLIZOGL-UHFFFAOYSA-N 323.396 3.465 0 40 DGAB Cc1ccc(Oc2ccccc2)c(NC(=O)N2CC[C@@H](O)C2)c1 84144990 MUHPNBVFELEIKZ-CQSZACIVSA-N 312.369 3.386 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1c(F)cccc1Br 84246276 ZPAQZHZAKXUXMI-QMMMGPOBSA-N 302.143 3.096 0 40 DGAB CC(C)[C@@H]1CN(C(=O)c2ncncc2Cl)c2ccccc2N1 85545903 CACXTJNFVAIDDL-ZDUSSCGKSA-N 316.792 3.227 0 40 DGAB Nc1cccc(CC(=O)NC2CCC(C(F)(F)F)CC2)c1 87845792 QADMNRACQFMKNZ-UHFFFAOYSA-N 300.324 3.049 0 40 DGAB CSc1cc(C)ccc1CNC(=O)NCc1nc(C)c(C)o1 89626310 DHORRFHSPXYALP-UHFFFAOYSA-N 319.430 3.321 0 40 DGAB O=C1CC[C@H](Nc2nc3cc(C(F)(F)F)ccc3s2)CN1 95389641 WQBPGYWLWINIDY-QMMMGPOBSA-N 315.320 3.006 0 40 DGAB CCS[C@H]1CC[C@@]1(O)CNCc1cc(F)cc2cccnc12 95415534 MURDABJJTHXTMO-DOTOQJQBSA-N 320.433 3.110 0 40 DGAB CN(C)c1nc2cc(NC(=O)Cc3cccs3)ccc2o1 95967574 SRMHLHPBXRVTFE-UHFFFAOYSA-N 301.371 3.137 0 40 DGAB C[C@H](NC[C@@H](C)c1cccs1)c1ccc(-n2cnnn2)cc1 95968222 RRHBUBIPJQHDSD-OLZOCXBDSA-N 313.430 3.178 0 40 DGAB O=C(O)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC=CCC1 95970087 WTKAWTULBNSGFQ-CYBMUJFWSA-N 323.339 3.124 0 40 DGAB C[C@@H]1CN(c2ccc(N[C@@H]3CCCOC3)cc2F)C[C@@H](C)O1 95983191 RKSYTGPUJSFSOB-UMVBOHGHSA-N 308.397 3.030 0 40 DGAB OC[C@H](NCc1ccc(F)cc1C(F)(F)F)c1ccco1 95988364 FDSOMASJTKSHEU-LBPRGKRZSA-N 303.255 3.261 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccco1)c1ccc(Cl)c(F)c1 95989780 STRDILKBAVKRSJ-NSHDSACASA-N 311.696 3.018 0 40 DGAB CCN1C(=O)CCC[C@@]12CCCN(C(=O)c1ccc(C)cc1)C2 96077029 ATYYUFCXWZUQFO-IBGZPJMESA-N 314.429 3.002 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccc(C)cn2)C[C@@H]1Cc1ccccc1 96111186 RVOZIJFBUOLHKI-HKUYNNGSSA-N 324.424 3.110 0 40 DGAB CO[C@H]1CC2(CCN(c3nncs3)CC2)c2ccc(C)cc21 96241856 KNDFGZGNFRQOCS-HNNXBMFYSA-N 315.442 3.476 0 40 DGAB O=C(Nc1ccc(NC[C@@H]2CCCO2)c(F)c1)c1ccccn1 96417258 GGGRZEQAWFUKSM-ZDUSSCGKSA-N 315.348 3.064 0 40 DGAB Cc1csc([C@@H](C)NC(=O)N[C@H](C)CCc2cccn2C)n1 96439756 JIKNHLDFZKBTIW-DGCLKSJQSA-N 320.462 3.172 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)NC[C@@H](C)Cc1cccs1 96439797 MJXIXFWRXGLPMO-RYUDHWBXSA-N 320.462 3.029 0 40 DGAB COc1ccnc(C(=O)N2C[C@H](C(C)C)Nc3ccccc32)c1 96449921 BYYIFRAVZKZOLN-MRXNPFEDSA-N 311.385 3.187 0 40 DGAB CS[C@H](C)CNC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 97080640 KLUXNCMSPKPFNV-RISCZKNCSA-N 324.494 3.405 0 40 DGAB COc1cccc([C@@H]2[C@@H](N[C@@H]3CCSC3)CCN2C2CC2)c1 97234016 XYEMDGFQZUDOKC-FHLIZLRMSA-N 318.486 3.068 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cccnc1)[C@@H](C)C2 97236792 OZFRJIGVWBPUHO-KSSFIOAISA-N 309.413 3.465 0 40 DGAB Cc1ccc(CNC[C@@H]2CCN(CC(F)(F)F)C2)cc1F 106410128 LCJYLOSMGRERNY-ZDUSSCGKSA-N 304.331 3.108 0 40 DGAB O=C(Nc1ccccc1-c1nnnn1C1CC1)[C@@H]1C[C@H]2CC[C@H]1C2 108059921 SGIZGLIVIGLMEC-SLEUVZQESA-N 323.400 3.050 0 40 DGAB O=C(c1ccoc1)N1CCC(O)(c2ccccc2Cl)CC1 192406237 TVBSHKIVEIXRFO-UHFFFAOYSA-N 305.761 3.057 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC(C)(C)C 223222245 IUTUESVOURHWBF-INIZCTEOSA-N 318.461 3.427 0 40 DGAB CCOc1ccccc1CNC(=O)Cc1ccc(OC)c(C)c1 223305920 XOQMZPLKQZOLQM-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)Nc1nnc(SC)s1 223741160 HRCHVKUDAYWSQV-SECBINFHSA-N 323.443 3.228 0 40 DGAB O=C(OCc1ccccc1F)c1snnc1-c1cccnc1 223851293 QZZUVIIRDCCHSD-UHFFFAOYSA-N 315.329 3.096 0 40 DGAB COCc1cc(C(=O)NCc2ccccc2Cl)ccc1OC 224394082 YDVRXFSLAUKRAA-UHFFFAOYSA-N 319.788 3.425 0 40 DGAB Fc1cccc(F)c1NC(=S)NCCCN1CCCCC1 225410319 NEAOJLTVKWHUCE-UHFFFAOYSA-N 313.417 3.127 0 40 DGAB COCCNC(=O)c1ccc(Nc2ccc(C)cc2C)c(N)c1 225418506 CRBMZDCZYREXSH-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)N[C@H](C)CC 225584673 PBTXTNJJZLFNLG-WBVHZDCISA-N 318.461 3.427 0 40 DGAB COc1ccc(CCC(=O)N2CCC[C@](C)(OC)CC2)cc1 253431246 QUHLIHLMTJCNMR-SFHVURJKSA-N 305.418 3.045 0 40 DGAB CCn1nccc1-c1cncc(CC2CCN(C(C)C)CC2)n1 257288370 PTYSNILRABWDGX-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB Cc1cc(C)nc([C@@]2(C)CCCN2C(=O)Cc2ccccc2)n1 257325849 WUSAKYYADHONMA-LJQANCHMSA-N 309.413 3.174 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)n(C)n1 563175910 NEVAZUDOSYIKAH-SFHVURJKSA-N 315.392 3.105 0 40 DGAB O=C(CSc1nnc(-c2ccco2)o1)Nc1cccc(F)c1 418113 WLRAEPDXDRATEB-UHFFFAOYSA-N 319.317 3.200 0 40 DGAB COc1cccc(OC)c1C(=O)n1cnc2cc(C)c(C)cc21 531315 NMZKRPKPNUPJAA-UHFFFAOYSA-N 310.353 3.359 0 40 DGAB Cc1ccccc1N1CCN(c2cc(=O)oc3ccccc23)CC1 984010 GGVRGCCNLNUDCZ-UHFFFAOYSA-N 320.392 3.428 0 40 DGAB CN(CC(=O)NCc1ccccc1Cl)Cc1cccc(F)c1 3348443 AHUNZPMORSCWBJ-UHFFFAOYSA-N 320.795 3.227 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)N[C@H](C)c2ccccc2)o1 3407852 QEYVOGJGEQLXFA-PLSXKVAHSA-N 313.353 3.022 0 40 DGAB CCOC(=O)C1=C(C)N=C2SCCN2[C@H]1c1ccc(F)cc1 4050663 YRPLEIZQOMJXFQ-AWEZNQCLSA-N 320.389 3.122 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)C12CC3CC(CC(C3)C1)C2 4262996 IHVKROPZRZOWMQ-UHFFFAOYSA-N 313.397 3.248 0 40 DGAB O=C(NC1CCCCC1)N1CCn2cccc2[C@H]1c1cccnc1 4329773 QIPCAHTVPMHTRO-GOSISDBHSA-N 324.428 3.330 0 40 DGAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C1CC1 4861189 JKEPWQMODGFGHK-UHFFFAOYSA-N 320.393 3.045 0 40 DGAB C[C@H](NC[C@H](O)COc1ccccc1Cl)c1ccccc1 6454936 ZYFHGZJQRRTHOF-ZFWWWQNUSA-N 305.805 3.431 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NCCSC(C)(C)C 8495111 KYLJLHHRGGJNKH-LBPRGKRZSA-N 311.447 3.110 0 40 DGAB Cc1ccccc1NC(=O)COc1ccc(C=O)cc1Cl 8571352 URAMQPYXLYIMOD-UHFFFAOYSA-N 303.745 3.478 0 40 DGAB CC(=O)Nc1ccc(CC(=O)NCC2(c3ccccc3)CC2)cc1 8705103 FURUEVJQKOKUFZ-UHFFFAOYSA-N 322.408 3.036 0 40 DGAB CCCOc1cc(S(=O)(=O)NC(C)(C)C)ccc1Cl 8714698 SRDPREUYKQAZCC-UHFFFAOYSA-N 305.827 3.206 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(SC(F)F)cc2)no1 9315984 QLJVQHLPBYOEDU-UHFFFAOYSA-N 313.329 3.348 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1)c1cccc(F)c1 9317613 FWRKIUJGHGFFQR-INIZCTEOSA-N 324.359 3.470 0 40 DGAB CC(=O)Nc1nc(CC(=O)Nc2ccc(C(C)C)cc2)cs1 9814669 BQXXAVUHKJEQNC-UHFFFAOYSA-N 317.414 3.406 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)Cn1cc(C=O)c2ccccc21 11612376 OHTDILXTEPRBOP-UXLLHSPISA-N 314.429 3.078 0 40 DGAB COc1cccc2cc(C(=O)Nc3cccc(C)c3)/c(=N/O)oc12 13896268 XSTTULMZKYDLCA-ZZEZOPTASA-N 324.336 3.292 0 40 DGAB c1csc([C@H](c2nnnn2C2CCCCC2)N2CCCC2)c1 20098497 MGJFUBWPOACCBA-OAHLLOKOSA-N 317.462 3.425 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CC[C@H]2CCCC[C@H]2C1 21972759 LEYHMIKPSSGOAJ-CVEARBPZSA-N 315.413 3.387 0 40 DGAB Oc1cccc2ccc(N3CCN(c4ccccc4)CC3)nc12 22405193 NLEBIHHGSQJBTM-UHFFFAOYSA-N 305.381 3.267 0 40 DGAB COC(=O)C[C@H](NC(=O)c1sccc1C)c1cccs1 22502373 IOLQPGHIKMQZQT-JTQLQIEISA-N 309.412 3.152 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1cccs1 23105470 ZYIGPGVKRCABEE-CYBMUJFWSA-N 308.834 3.434 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)Cc2cccc(Cl)c2)c1 24613860 RIEDUUXBBQZIDM-UHFFFAOYSA-N 323.801 3.485 0 40 DGAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@@H](C)[C@H]1CCCO1 27904043 NNUZMNWWDQQGQS-IINYFYTJSA-N 318.348 3.086 0 40 DGAB O=C(NCc1ccccc1Cn1ccnc1)Nc1ccccc1 31661711 NVQZGNABQSHNBM-UHFFFAOYSA-N 306.369 3.253 0 40 DGAB CC(=O)N1CCc2ccccc2[C@@H]1[C@H]1NCCc2ccccc21 31750745 AVKSIFQMKNTASD-VQTJNVASSA-N 306.409 3.019 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)Nc2ccc(F)cc2)n1 32643662 FUODFXBRVOKJNS-UHFFFAOYSA-N 305.353 3.468 0 40 DGAB COC(=O)c1cc2c(=O)n([C@@H]3CCCC[C@H]3C)ccc2nc1C 38784148 DTDOMISNAOSZDE-BDJLRTHQSA-N 314.385 3.243 0 40 DGAB O=C(COc1ccc(Cl)c2ccccc12)Nc1cn[nH]c1 40087189 FMLQLMZECSSWPL-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB CC1CCN([C@@H](CNC(=O)Cc2cccc(F)c2)C(C)C)CC1 40089288 DUQRMMRZZVHVQS-SFHVURJKSA-N 320.452 3.241 0 40 DGAB Cn1ccc2cc(C(=O)N3CCO[C@@H](c4ccccc4)C3)ccc21 40287543 GUQVBACBWYFOHA-LJQANCHMSA-N 320.392 3.392 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)N3CCCC3)cc2F)C[C@H](C)O1 40541407 FIMJWYAHZVLWSM-STQMWFEESA-N 321.396 3.067 0 40 DGAB C[C@H](NC(=O)Nc1ccncc1)c1ccc2c(c1)OCCCO2 46070252 AMGLCFVJYBZZTI-LBPRGKRZSA-N 313.357 3.126 0 40 DGAB C[C@@H]1c2ccsc2CCN1Cn1c(=O)oc2ccccc21 52583885 LNKYQTGRSOXXMT-LLVKDONJSA-N 300.383 3.233 0 40 DGAB CC[C@@H](NC(=O)c1cccc[n+]1[O-])C12CC3CC(CC(C3)C1)C2 57128865 ZINIVJQEFDSZTG-MUGCCGGLSA-N 314.429 3.045 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)c1ccc(O)cc1O 57973888 HPKCTVHMSNFPQY-UHFFFAOYSA-N 312.243 3.378 0 40 DGAB CC(C)c1noc(COc2nc(-c3ccccc3Cl)no2)n1 58299172 CWIGBHCFALUKTG-UHFFFAOYSA-N 320.736 3.475 0 40 DGAB C[C@@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 63193307 NCTFUGXKQYIQQV-ZWNOBZJWSA-N 300.324 3.047 0 40 DGAB O=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCCO1 68146753 WSEHFHSLQUBMER-GOSISDBHSA-N 321.380 3.202 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccccc1OC(F)F 69520724 YXFHDTWKDYUUQZ-LLVKDONJSA-N 314.332 3.321 0 40 DGAB C[C@@H](c1ccccc1)[C@@H](CO)Nc1nccc(C(F)(F)F)n1 69669746 FGPBCDNXHYLMMT-CMPLNLGQSA-N 311.307 3.072 0 40 DGAB CC1CCC(OC2CCN(C(=O)Nc3cn[nH]c3)CC2)CC1 69737848 HOSDFBMRWLDCIG-UHFFFAOYSA-N 306.410 3.001 0 40 DGAB C[C@@H](OC(=O)c1cnn(C)c1)c1nc(-c2ccccc2)cs1 69740090 SBFUZFPZFIAYLC-LLVKDONJSA-N 313.382 3.462 0 40 DGAB Cc1ccc(CN2CCOCC2)cc1NC(=O)CC(C)(C)C 71915283 JCMGHEXBTKTJRF-UHFFFAOYSA-N 304.434 3.202 0 40 DGAB COC(=O)c1cc(Cl)cc(NC(=O)c2scnc2C)c1 72290154 HCIKQTQLVSWKGC-UHFFFAOYSA-N 310.762 3.144 0 40 DGAB C[C@H](CC(=O)Nc1cccc2[nH]ccc12)NC(=O)OC(C)(C)C 72302843 NUKMKRCNHORIFS-LLVKDONJSA-N 317.389 3.410 0 40 DGAB CC(=O)c1cccc(NC(=O)Nc2cnn(CC(C)C)c2)c1 75536857 PYLXODMDULFVCE-UHFFFAOYSA-N 300.362 3.386 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)Cc2cnn(CC)c2)cs1 76730802 QMEQAZOODIGPCF-LBPRGKRZSA-N 308.451 3.089 0 40 DGAB O=S(=O)(c1cccs1)N(CCc1cccs1)C1CC1 77171907 ZPVRZRPUVDCUKK-UHFFFAOYSA-N 313.469 3.205 0 40 DGAB COC[C@@H]1CCCN1C(=O)c1cccc(C(F)(F)F)c1F 79547525 ZPZQQUDVQTVYMR-VIFPVBQESA-N 305.271 3.096 0 40 DGAB Cc1nc(C)c(C(=O)N2CCSC[C@@H]2c2ccccc2)o1 89558103 MNEMLJFNQJYRMT-CQSZACIVSA-N 302.399 3.222 0 40 DGAB CC[C@@H](Sc1ncc(CO)n1C)C(=O)c1ccc(Cl)cc1 89941919 MOBKPSXWSCLUNV-CYBMUJFWSA-N 324.833 3.319 0 40 DGAB CCC1(CC)[C@@H](OC)C[C@H]1NC(=O)Nc1ccc2c(c1)COC2 92162695 YJQNJYYGRKNWRO-CVEARBPZSA-N 318.417 3.432 0 40 DGAB C[C@H]1CO[C@@H](c2ccccc2)CN1C(=O)c1ccc2[nH]ncc2c1 95405834 UABCDYDWRJFFFJ-SCLBCKFNSA-N 321.380 3.165 0 40 DGAB Cc1nn(Cc2cccc(Cl)c2)cc1C(=O)N1CCCC1 95407170 HHCLAAXYJNALNF-UHFFFAOYSA-N 303.793 3.129 0 40 DGAB C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCn3cncc3C2)c2ccccc21 95434791 VHNIDGAKDHPMLX-LBTNJELSSA-N 309.413 3.200 0 40 DGAB CSc1cc(NC(=O)N2CCCC[C@H]2c2cn[nH]c2)ccn1 95939215 ZFYIGXZWIQZTIR-ZDUSSCGKSA-N 317.418 3.286 0 40 DGAB CC[C@@H](NC[C@@H](c1cccc(F)c1)N1CCOCC1)C(C)C 95967481 VMYOBNBJFDWTMW-MSOLQXFVSA-N 308.441 3.223 0 40 DGAB CC[C@@](C)(CC(=O)O)NC(=O)Cc1ccc(C(F)(F)F)cc1 95970239 QPHAYCVAZRDOKO-AWEZNQCLSA-N 317.307 3.008 0 40 DGAB C[C@H](O)C(=O)Nc1ccc(Oc2ccnc3ccccc23)cc1 95979958 AMOKGICYSAXKJQ-LBPRGKRZSA-N 308.337 3.346 0 40 DGAB COC(C)(C)C[C@H](C)NC(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95984025 UFHGTAZCULRERM-SMDDNHRTSA-N 322.453 3.077 0 40 DGAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1ccsc1)C2 96198009 ZKLRFJSACOTKCS-INIZCTEOSA-N 317.458 3.008 0 40 DGAB CN1CCC(c2nc3ccc(-c4cccc(F)c4)cn3n2)CC1 96267266 UZEJMEOOQGVYAY-UHFFFAOYSA-N 310.376 3.345 0 40 DGAB CN(C(=O)Cc1ccc(Cl)cc1)[C@H]1[C@H]2CCO[C@@H]2C1(C)C 96418840 FSMVEDIJUIIGRV-KBMXLJTQSA-N 307.821 3.154 0 40 DGAB C[C@H](CC(=O)c1cccs1)NC(=O)Cc1cccc(F)c1 96483848 HVKQWVGSOYZWQL-LLVKDONJSA-N 305.374 3.207 0 40 DGAB C[C@@H](NC1CCN(C(=O)C2CCCCC2)CC1)c1nccs1 96490285 NUQNVLPEALZUOC-CYBMUJFWSA-N 321.490 3.365 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCC(=O)N2)c1nc2ccccc2o1 96496039 BSXWUPYFVWSYSV-SNVBAGLBSA-N 309.325 3.332 0 40 DGAB C[C@H]1C[C@@H](NC(=O)N(C)Cc2nccn2C(F)F)CC[C@H]1C 96502895 SWSKWWRQKNSNKY-WOPDTQHZSA-N 314.380 3.244 0 40 DGAB CC(=O)c1ccc(N2C(=O)C[C@H](c3ccc(F)cc3)C2=O)cc1 102742257 PQOVSLNMJNMRPO-MRXNPFEDSA-N 311.312 3.075 0 40 DGAB CCN(C(=O)c1cccnc1)[C@H]1CCN([C@H](C)c2ccccc2)C1 106630787 KYFVMMLIPLEDTF-APWZRJJASA-N 323.440 3.379 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2cccc(F)c2)C1 143789408 KYLSRFZKDUJGJF-CYBMUJFWSA-N 307.365 3.194 0 40 DGAB C=CC(=O)Oc1ccc(C)cc1C(=O)c1ccc(N(C)C)cc1 218251496 SRFQNSGTTMQRAA-UHFFFAOYSA-N 309.365 3.383 0 40 DGAB in-vitro CCCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)NC(C)(C)C 222782466 GZMHBUABMSHXLU-HNNXBMFYSA-N 318.461 3.427 0 40 DGAB Cc1cccc(NC(=S)NCCCc2ccc(F)cc2)n1 223965441 FQVXZYDRJHJKBO-UHFFFAOYSA-N 303.406 3.448 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(Cl)c1)C(=O)CC 225166903 NVXRXCTWUWOMFP-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@@H]2CC[C@@H]1C2 225810041 NTUPIDBSZLTFNM-JTNHKYCSSA-N 313.319 3.389 0 40 DGAB CCN(CC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@H](C)C1 226323948 HXKOVRJIDISJDF-KBPBESRZSA-N 303.450 3.233 0 40 DGAB C[C@@H](C(=O)NC1CCCCC1)N1C(=O)CCCc2ccccc21 227168995 BPDHQHDDOYJGKR-AWEZNQCLSA-N 314.429 3.193 0 40 DGAB C[C@]12CC[C@@H]3[C@H](CC[C@@H]4CC(=O)[C@@H]5O[C@@H]5[C@@]43C)[C@H]1CCC2=O 239562575 CSOPPJRLYYLIIJ-QUJYCBQSSA-N 302.414 3.155 0 40 DGAB CCCN(CCC)c1nn(-c2cccc(C)c2C)nc1C(=O)O 256048061 QLBALWQLDWSCMO-UHFFFAOYSA-N 316.405 3.209 0 40 DGAB CC(C)Oc1cncc(C(=O)N[C@@](C)(C2CC2)C(F)(F)F)c1 332181815 WWLCCSCYHCJVRC-AWEZNQCLSA-N 316.323 3.330 0 40 DGAB O=C(CCN1CCC[C@@H](c2cccnc2)C1)Nc1ccccc1 585089988 VGOMCYXBSFFIJZ-QGZVFWFLSA-N 309.413 3.290 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)c1[nH]nnc1-c1ccccc1)C1CC1 1548525570 SSEKBSNZAFWCAK-LBPRGKRZSA-N 322.368 3.431 0 40 DGAB Brc1ccc(OCc2cn3cccnc3n2)cc1 97871 SVWMWBWTYYETHJ-UHFFFAOYSA-N 304.147 3.071 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 116294 KTGRLSXXHCQYOI-LLVKDONJSA-N 309.774 3.347 0 40 DGAB COC(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 134481 ALAHMHNLCMOYDO-UHFFFAOYSA-N 304.346 3.421 0 40 DGAB Cc1ccc(-c2c3c(nc4ncnn24)-c2ccccc2C3=O)cc1 185269 YNYVMNAHGMELGM-UHFFFAOYSA-N 312.332 3.311 0 40 DGAB Clc1ccc([C@H]2C[C@@H](c3cccnc3)Nc3ncnn32)cc1 221849 ZWDSITQGTDZQNH-LSDHHAIUSA-N 311.776 3.473 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cccnc2Cl)c1 3301928 YDOWWPZSPUCYKO-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1ccccc1S(=O)(=O)Nc1ccc(F)c(Cl)c1 3420094 GWLONCIMRIBISJ-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2cc(C)oc2C)cc1 3464017 QLZNJQOTZJNNCW-ZDUSSCGKSA-N 301.342 3.389 0 40 DGAB COC(=O)c1c(NC(=O)[C@@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCC2 3900001 UYDGUDMMEGWQTI-HOSYDEDBSA-N 319.426 3.398 0 40 DGAB Cc1c(C(=O)C(=O)Nc2ccc(F)cc2)c2ccccc2n1C 4062607 NWGVQOQGYLUFAZ-UHFFFAOYSA-N 310.328 3.447 0 40 DGAB COc1cccc(/C=C2\N=C(c3ccccc3C)OC2=O)c1OC 4611342 FWGLUESNYUQCHB-PTNGSMBKSA-N 323.348 3.357 0 40 DGAB Sc1nnc(-c2ccncc2)n1-c1cccc2ncccc12 4710596 YYGMQYNHNZTXQI-UHFFFAOYSA-N 305.366 3.166 0 40 DGAB O=C(O)c1ccc(Nc2c(C(=O)O)cnc3ccccc23)cc1 5510861 FEXHYQGEBCCKAG-UHFFFAOYSA-N 308.293 3.375 0 40 DGAB O=C(NCc1ccccn1)c1ccc(C(=O)c2ccccc2)cc1 5687508 OKHXOAHEDONZDD-UHFFFAOYSA-N 316.360 3.243 0 40 DGAB COc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)n1 7253528 YQZSOMWUZMTBJJ-UHFFFAOYSA-N 317.414 3.141 0 40 DGAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccccc1 7604175 LEPXQVPIZYCEIM-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB COc1ccc(-c2nc(CC(=O)NCC(C)C)cs2)cc1 8728710 JULSFBNNCUVQJF-UHFFFAOYSA-N 304.415 3.133 0 40 DGAB CCc1ccc(-c2n[nH]c(SCC(=O)c3ccc[nH]3)n2)cc1 9335749 DMEYQNXKYXYENX-UHFFFAOYSA-N 312.398 3.337 0 40 DGAB Cc1cccn2cc(CSc3nnnn3C3CCCC3)nc12 9367149 JGOYICUBFSOWIA-UHFFFAOYSA-N 314.418 3.037 0 40 DGAB Cc1ccc(C2=CCN(c3cnnc(O)c3Cl)CC2)cc1 9748781 IRCLIFXHNWHLQN-UHFFFAOYSA-N 301.777 3.438 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccc(C)cc2C)cc1 9888523 DNLUFNGHANRAMR-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB C[C@H]1CCC[C@H](C)N1C[C@@H](O)Cn1cc(C=O)c2ccccc21 11612377 OHTDILXTEPRBOP-ZOBUZTSGSA-N 314.429 3.078 0 40 DGAB O=C(NC1(c2ccc(F)cc2)CCCC1)c1cnn2cccnc12 12155401 DGYKRGLYXFKOFG-UHFFFAOYSA-N 324.359 3.068 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccc(C)cn1 12523394 KUKBAMXIYGOOKQ-QGZVFWFLSA-N 321.380 3.293 0 40 DGAB COc1ccc(-n2cnn(CN3CCC(C)CC3)c2=S)cc1 12534148 RJHHDPJRNKIZTK-UHFFFAOYSA-N 318.446 3.101 0 40 DGAB Cc1cccc([C@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)c1 13131596 FCTTYNTXDHFHFS-HZPDHXFCSA-N 323.375 3.454 0 40 DGAB aggregator Cc1nc(NC(=O)c2cc(Br)cn2C)sc1C 14019270 QNFNXTXGJLEIGU-UHFFFAOYSA-N 314.208 3.113 0 40 DGAB COc1ccc(-c2cnn3c(=O)c(-c4ccccc4)c[nH]c23)cc1 15108161 USTDXIPBQJEHGT-UHFFFAOYSA-N 317.348 3.365 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 20040907 PULBMXAFOLIKBA-STQMWFEESA-N 317.360 3.479 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1ccccc1C 20107654 UGPUNGOQEUVOGR-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB Cc1cc(C)cc(Cc2nc(N)nc(Nc3ccccc3)n2)c1 20345272 CDLTVSAIENDNHQ-UHFFFAOYSA-N 305.385 3.405 0 40 DGAB O=C(NCc1c(F)cccc1F)C1(c2ccc(F)cc2)CC1 21695650 KABJPFSNRJTFOC-UHFFFAOYSA-N 305.299 3.452 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1cccnc1 22435812 GGYKEMGSCVCBSA-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB CN(Cc1c(F)cccc1Cl)c1cc(Cl)nc(N)n1 24056420 PMQDGLDJRZPTQK-UHFFFAOYSA-N 301.152 3.141 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc3c(c2)OCCCO3)s1 25031035 PXVBDOQAOMAKGU-UHFFFAOYSA-N 304.371 3.174 0 40 DGAB C[C@@H](C(=O)N[C@H]1CCSc2ccc(Cl)cc21)n1cccn1 28500515 JUOFNJLDZYDMPY-GWCFXTLKSA-N 321.833 3.451 0 40 DGAB CCc1ccc(NC(=O)CSc2nnc(C(C)C)o2)cc1 32883618 BLHARIMBELDEEZ-UHFFFAOYSA-N 305.403 3.486 0 40 DGAB Nc1ccc2ncn(Cc3ccc(Cl)c(Cl)c3)c(=O)c2c1 35328423 JZAIFTGBCQQODC-UHFFFAOYSA-N 320.179 3.334 0 40 DGAB COCCNC[C@@H]1C=C(C)[C@H](Cc2nnc(C)o2)C[C@H]1C(C)C 35442621 FUXBJSFYKPGDPL-ULQDDVLXSA-N 321.465 3.011 0 40 DGAB biogenic,in-vitro Cc1cc(C(=O)N[C@H](C)CCc2ccco2)c2c(C)noc2n1 36613691 PYRNCWZSHNYOLJ-SNVBAGLBSA-N 313.357 3.184 0 40 DGAB COCCCC(=O)Nc1nc(-c2ccccc2)c(C(C)=O)s1 40543606 RCAFWIREXDJNLC-UHFFFAOYSA-N 318.398 3.378 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)Nc2nccs2)cc1OC 43160182 NFXNKIUWOLVGEA-JTQLQIEISA-N 321.402 3.433 0 40 DGAB CCOCc1ccc(CNC(=O)Cc2ccccc2F)cc1 45848686 XCELOQKUGGJFGP-UHFFFAOYSA-N 301.361 3.221 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccccc2Cl)C1 48310075 XHNZOXFEHDBGBT-GASCZTMLSA-N 322.880 3.367 0 40 DGAB C[C@H](CCc1ccccc1)Nc1ncc(C(N)=O)cc1Cl 48366117 LYWIURUWRIQPRC-LLVKDONJSA-N 303.793 3.267 0 40 DGAB COc1ccc(CN(C)C(=O)COc2cccc(Cl)c2)cc1 49535499 LLJZJKQZWVRLFL-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB C[C@H](Sc1nnc(-c2ccco2)o1)c1nc(C2CC2)no1 53414607 MDPMPMUTTHMUHH-ZETCQYMHSA-N 304.331 3.443 0 40 DGAB CCOc1ccccc1OC1CCN(C(=O)c2ccco2)CC1 55614522 ALCSRWNLRVDJSI-UHFFFAOYSA-N 315.369 3.362 0 40 DGAB CC(=O)Nc1ccc(C)c(NC(=O)N2C[C@H](C)C[C@@H](C)C2)c1 57561998 DJLFODMVSWPYJO-VXGBXAGGSA-N 303.406 3.463 0 40 DGAB CCc1nc(NC(=O)[C@H](C)c2c(C)nn(C)c2C)sc1C 58332848 ZMHQACKRLOLBMX-MRVPVSSYSA-N 306.435 3.106 0 40 DGAB CC(C)(NC(=O)CCc1ccco1)c1ccc2c(c1)OCCO2 58343735 QALBTCKHEOZEBH-UHFFFAOYSA-N 315.369 3.035 0 40 DGAB C[C@H]1C[C@@H](OC(=O)C2c3ccccc3Oc3ccccc32)C(=O)O1 60878837 LBZDDBAUOMWBSB-MEDUHNTESA-N 324.332 3.171 0 40 DGAB CCN(CC)C(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63888061 SGRJIASUZZTAMH-UHFFFAOYSA-N 302.374 3.151 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@H](C)n1c(S)nnc1-c1cccs1 65513197 CMTJVRWAZNYJJG-ZJUUUORDSA-N 324.475 3.017 0 40 DGAB C[C@@H](OC[C@H]1CCCO1)C(=O)N1CCCSc2ccccc21 68759801 GBNXQZCZANAUMV-ZIAGYGMSSA-N 321.442 3.100 0 40 DGAB C[C@@H](NCc1ccnc(-c2ccccc2)n1)[C@@H](C)n1cccn1 69372202 RSDBWRFKXXCWMT-HUUCEWRRSA-N 307.401 3.079 0 40 DGAB CCc1nc(CC(=O)N[C@H]2CCCOc3ccccc32)cs1 69419554 WZFKAXGKIWHRFX-AWEZNQCLSA-N 316.426 3.278 0 40 DGAB CN(C(=O)c1ccc(-c2ccco2)[nH]c1=O)c1ccccc1F 69456899 MYDKCJDXQYWEFO-UHFFFAOYSA-N 312.300 3.051 0 40 DGAB C[C@@H](Cc1ccc2ccccc2c1)NC(=O)[C@@H](C)n1ccnc1 69462200 LCHWBZGJJZEJAN-LSDHHAIUSA-N 307.397 3.345 0 40 DGAB Cc1nccn1-c1ccc(CNCc2cccc(O)c2)cc1F 69871813 KUQMPDNKUBUTLV-UHFFFAOYSA-N 311.360 3.315 0 40 DGAB Cc1nc(C)n(C[C@@H]2CCCCN2c2nc3ccccc3o2)n1 69872237 MZYKVCXNHCTEHA-AWEZNQCLSA-N 311.389 3.095 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2ccoc2C)n1 71865461 WONCPTWQVOTWRY-HNNXBMFYSA-N 301.390 3.096 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cnn(-c2ccccc2Cl)c1 71882881 XVWZBMWZBDHUMT-UHFFFAOYSA-N 316.748 3.383 0 40 DGAB C[C@@H](c1ccccc1F)N(C(=O)COC[C@H]1CCCO1)C1CC1 71904424 FNRLHERZYCKYEZ-DZGCQCFKSA-N 321.392 3.073 0 40 DGAB CSC[C@@H](C)C(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 71910577 FUMOERGXSUVHMO-CJNGLKHVSA-N 306.475 3.415 0 40 DGAB COc1cccc(N2CC[C@H](CNCc3ccsc3)C2)c1 71924606 MADYOUUGBJKJDJ-CQSZACIVSA-N 302.443 3.373 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ncccc2C)cc1 72211141 LWZCBVJNSIRMJI-MRXNPFEDSA-N 316.426 3.224 0 40 DGAB O=C(Cn1ccc2ccccc21)Nc1cnn(CC(F)(F)F)c1 72243680 NWOVPXMUXWFJLZ-UHFFFAOYSA-N 322.290 3.039 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)Cn2nc(C)cc2C)n1 72273764 IZPWVGNQNJGXIK-AWEZNQCLSA-N 318.446 3.019 0 40 DGAB COCCN1CCC[C@@H]1c1csc(Nc2ccccn2)n1 72384647 GPERPTVPYUKLEC-CYBMUJFWSA-N 304.419 3.065 0 40 DGAB CC[C@](C)(NCC(=O)N[C@@H]1CCCC[C@@H]1C)c1nccs1 72685062 WWVUEMHBYYKWBE-ZENOOKHLSA-N 309.479 3.053 0 40 DGAB CCOC(=O)c1ccc(-c2ccc(N)cc2Br)o1 73640339 YFJMFKXCVLORHR-UHFFFAOYSA-N 310.147 3.468 0 40 DGAB COCCCCCN1CCC[C@H](C(=O)Nc2ccccc2)C1 76016831 DOWVNNUVUNKZBF-INIZCTEOSA-N 304.434 3.154 0 40 DGAB COC(=O)c1ccsc1NC(=O)[C@H]1CCOc2ccccc21 76795433 FZRKVPOLUPOQJV-NSHDSACASA-N 317.366 3.040 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2ccc3[nH]ccc3c2)c1 79043166 VZFSHGBCBYWZHQ-UHFFFAOYSA-N 308.337 3.388 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)CCc1c[nH]c2ccccc12 79726812 GTIYGNXELATMNO-UHFFFAOYSA-N 308.381 3.465 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)NCCSC(C)(C)C 89263007 UIDOTJHKIPSDDW-CYBMUJFWSA-N 324.494 3.405 0 40 DGAB COc1cc(CN[C@@H]2CCCCC[C@@H]2CO)c2c(c1)C[C@@H](C)O2 95410528 OPPGHKUGMBFOAI-HBUWYVDXSA-N 319.445 3.049 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCC(c2ccccc2)CC1 95955139 VTKFZXLXHIMXDZ-UHFFFAOYSA-N 313.401 3.381 0 40 DGAB O=C(CCN(CCc1cccc(F)c1)C1CC1)N1CCCCC1 95959502 ATGMUHBZZRJPIM-UHFFFAOYSA-N 318.436 3.235 0 40 DGAB c1ccc(OC[C@@]23CCC[C@@H]2CN(Cc2nccs2)C3)nc1 96208396 OEIZUUFTFUQWEO-PBHICJAKSA-N 315.442 3.219 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@H]3NC(=O)c1cccnc1 96221888 RXVMTSRPZCRHTK-QGZVFWFLSA-N 321.380 3.379 0 40 DGAB biogenic COc1cc(F)ccc1N(C)Cc1nnc(-c2ccco2)o1 96415737 YQAAHHYSJWDVQQ-UHFFFAOYSA-N 303.293 3.114 0 40 DGAB C[C@@H]1C[C@@H]1[C@H](NC(=O)Cc1cnn(C)c1)c1ccc(Cl)cc1 96425763 YTPSAVQKARNDPK-XQAQDONZSA-N 317.820 3.130 0 40 DGAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cc2cnn(C)c2)o1 96433294 WQMLSOIBBGTHBF-CJNGLKHVSA-N 315.417 3.118 0 40 DGAB Cn1c(-c2ccccc2)cnc1Sc1nccn(C2CC2)c1=O 96494523 HKOPUOJRZNJUOX-UHFFFAOYSA-N 324.409 3.130 0 40 DGAB CC[C@H](Cc1ccc(C)cc1)NC1CCN(C(=O)N(C)C)CC1 97033371 MOBXHCCYSISAFO-QGZVFWFLSA-N 317.477 3.052 0 40 DGAB C[C@@H](CCC[C@@H](C)C(=O)O)NCc1cnn(-c2ccccc2)c1 97212617 DQYYQWNHBZGBTE-CABCVRRESA-N 315.417 3.241 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCCCC[C@@H]2c2ccco2)o1 97231571 WEUYVFQLPPKOSO-LLVKDONJSA-N 303.314 3.328 0 40 DGAB O=C1Nc2ccccc2[C@H]1Cc1cccc(Br)n1 101109916 FTJSCSOZNXJFCG-LLVKDONJSA-N 303.159 3.123 0 40 DGAB COc1ccccc1CN1CCN(C[C@@H]2C[C@H]3C=C[C@H]2C3)CC1 101262947 UOKVAMYHHWWGJP-LNLFQRSKSA-N 312.457 3.025 0 40 DGAB CCN(C(=O)C[C@@H]1C(=O)Nc2ccccc21)c1ccccc1C 103456161 DSXJLAWXSQBNSH-HNNXBMFYSA-N 308.381 3.474 0 40 DGAB Cc1nc(CN2CCCN(C(=O)C3CCCCC3)CC2)cs1 105819068 VTWRXDNYKLDWPI-UHFFFAOYSA-N 321.490 3.066 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@]2(C1)C(=O)Nc1ccc(F)cc12 169272070 AZWYEZJMZSITFA-QGZVFWFLSA-N 320.364 3.047 0 40 DGAB C[C@H](NC(=O)N1CCSCC[C@@H]1C)[C@@H]1COc2ccccc21 189673903 ZIZRYZUAKOENEV-YDHLFZDLSA-N 320.458 3.088 0 40 DGAB CC(C)CO[C@]1(C(F)(F)F)Oc2ccccc2C=C1C(=O)O 217809662 VWZNXGHZCXTUMG-AWEZNQCLSA-N 316.275 3.478 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC(C)C 222410661 WVFKIMMZRGCOHH-QGZVFWFLSA-N 318.461 3.427 0 40 DGAB Cc1noc(-c2cncnc2NCc2ccc(F)c(Cl)c2)n1 253408904 YXRSRZYIVYRTAT-UHFFFAOYSA-N 319.727 3.240 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(Cc3csc(C)n3)C2)c1 257302097 SBNNGSQLXPDMTR-CYBMUJFWSA-N 302.447 3.186 0 40 DGAB COc1cccc(CC(=O)N2CCC(Cc3ccncc3)CC2)c1 257332827 XYVOBADVJXXADY-UHFFFAOYSA-N 324.424 3.114 0 40 DGAB N[C@@H]1C[C@@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 261637919 HYZZGQJOAHUDLM-RTBURBONSA-N 321.424 3.048 0 40 DGAB CC1CCC(OCC(=O)NCc2nc(C(C)C)cs2)CC1 280008462 SQHKWVKSORAKMX-UHFFFAOYSA-N 310.463 3.478 0 40 DGAB O=C(Nc1ccnnc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 567219067 XQBRZPNRTVDCSI-OAHLLOKOSA-N 322.372 3.112 0 40 DGAB Cc1nc([C@H]2CCCN(CC3(CC(=O)O)CC3)C2)sc1C 579967501 MSJVDASGJXBGOC-ZDUSSCGKSA-N 308.447 3.194 0 40 DGAB c1cc(CN2CCC3(CC2)OCC[C@H]3CCOCC2CC2)co1 585103383 AWFVMAQBXQPAQJ-GOSISDBHSA-N 319.445 3.467 0 40 DGAB C[C@@H](CC(=O)N1CCC(N2CCC2)CC1)Cc1cccc(F)c1 585127663 GRSXCDYJAXYLII-OAHLLOKOSA-N 318.436 3.091 0 40 DGAB CCOC(=O)CCC[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C 1772714987 LTSSSSOLASENDX-LBPRGKRZSA-N 315.410 3.092 0 40 DGAB O=C(c1ccccc1)c1cc(Cl)ccc1N1C(=O)C=CC1=O 71157 NJMSTNJRQFSDPW-UHFFFAOYSA-N 311.724 3.000 0 40 DGAB CCN(CC)C(=O)Nc1ccc(I)cc1 152055 JRXVCZBRTWJNKQ-UHFFFAOYSA-N 318.158 3.165 0 40 DGAB CCOc1ccc2cc(C(N)=O)/c(=N/c3ccc(C)cc3)oc2c1 197569 KKSPDYJJBAEYAO-VZCXRCSSSA-N 322.364 3.471 0 40 DGAB O=C(C[C@@H](Cc1ccccc1)C(=O)O)Nc1ccc(F)cc1 203014 FWIQVBCMXHWGTN-CYBMUJFWSA-N 301.317 3.098 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2cccc(F)c2)cn1 1358319 QDIJMBSZTMFCPZ-UHFFFAOYSA-N 301.321 3.212 0 40 DGAB COc1cc(N[C@H](C)CCCN(C)C)c2ncccc2c1OC 1843144 GZBXZZJSARMYPE-CYBMUJFWSA-N 317.433 3.394 0 40 DGAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2291964 WWPYVKGNBYMDKE-BXUZGUMPSA-N 321.373 3.241 0 40 DGAB Cc1nn2c(C(F)F)cc(-c3cnn(C)c3C)nc2c1Cl 2786767 MCUPMLINPRPRBB-UHFFFAOYSA-N 311.723 3.338 0 40 DGAB COC(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 3264360 LAMPZJWBUPENIG-UHFFFAOYSA-N 319.401 3.081 0 40 DGAB CCCN(CC1CC1)Cn1ncn(-c2ccccc2)c1=S 3347646 SCHXARSWKMFFHX-UHFFFAOYSA-N 302.447 3.483 0 40 DGAB C/C(=C/C(=O)O)C(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 4393819 DZFSZFLGDVYYHK-VURMDHGXSA-N 322.773 3.433 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1ccccc1Cl 5086783 UKYGCWUAZBGWFN-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CCN1CCN(c2c(Cl)cccc2NC(=O)CC(C)C)CC1 5823060 OMFIOILLSCVUGG-UHFFFAOYSA-N 323.868 3.467 0 40 DGAB c1ccc(OCCSc2n[nH]c3nc4ccccc4n23)cc1 6506753 ASHABBIKJHWPON-UHFFFAOYSA-N 310.382 3.382 0 40 DGAB C[C@H]1CCCCN1S(=O)(=O)c1ccccc1Br 7377704 IAMLGHHIDGPQGY-JTQLQIEISA-N 318.236 3.012 0 40 DGAB Cc1cccc(Nc2nc(N3CCCCC3)c3cnn(C)c3n2)c1 7449981 AKAATTSJNBVURC-UHFFFAOYSA-N 322.416 3.406 0 40 DGAB Cc1ccc2nc(CN3CCSc4ccccc43)cc(=O)n2c1 7493227 RAWFWSADRODJGH-UHFFFAOYSA-N 323.421 3.115 0 40 DGAB Cc1ccc(-c2nn3c(=O)c(-c4ccccc4)nnc3s2)cc1 8393658 AWNXBMOSFXAHQK-UHFFFAOYSA-N 320.377 3.188 0 40 DGAB COc1cc(C)c(C)cc1S(=O)(=O)N(C)C1CCCCC1 8714569 XUJUEWGJDCZSFZ-UHFFFAOYSA-N 311.447 3.265 0 40 DGAB COc1ccccc1CNC(=O)c1cc(-c2ccccc2)on1 9497828 JDNAIBCYTQGWFC-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB Cc1ccc2c(CC(=O)N3CCc4ccccc43)cc(=O)oc2c1 9704859 ULQIKQDXJMUFCC-UHFFFAOYSA-N 319.360 3.233 0 40 DGAB COc1ccc(O[C@H](C)C(=O)Nc2ccc(F)c(F)c2)cc1 11610170 CFDGXLWEAAHUSH-SNVBAGLBSA-N 307.296 3.379 0 40 DGAB Cc1ccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)o1 12183911 XYVZLTCOLOOOOA-AWEZNQCLSA-N 312.369 3.333 0 40 DGAB Cc1cc(NC(=O)N(C)CCOc2cccc(Cl)c2)no1 12999849 TVYNQOLZLBCKGV-UHFFFAOYSA-N 309.753 3.179 0 40 DGAB CCOc1ccccc1C(=O)N[C@H](CC(=O)O)c1cccs1 13389111 KUOYLONFHZHIMU-GFCCVEGCSA-N 319.382 3.093 0 40 DGAB Cc1ccc(NC(=O)N[C@H](C)c2nc(-c3ccncc3)n[nH]2)cc1 13565335 HKXCOFRBGOHBPP-GFCCVEGCSA-N 322.372 3.058 0 40 DGAB COc1cc(NC(=O)c2ccc(C)c(F)c2)cc(OC)c1OC 14196901 VSEYODNNCAEYMZ-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB CC(=O)NC(=O)c1cc2ccccc2o/c1=N\c1ccccc1F 16890411 ANAXZQKLDLSFEM-UZYVYHOESA-N 324.311 3.081 0 40 DGAB Cc1nc2ccc(Cl)cc2cc1C(=O)N1C[C@H](C)O[C@H](C)C1 17837507 DMXIIWGIZUTZPO-PHIMTYICSA-N 318.804 3.446 0 40 DGAB Cc1cc([C@@H]2CCCCCN2Cc2c(C)nn(C)c2C)on1 19120204 BWRJZJZLZMNXBO-INIZCTEOSA-N 302.422 3.451 0 40 DGAB C[C@@H]1CCc2sc(C(=O)NCCc3ccccn3)cc2C1 21183593 ADOJHGRKSRDBEQ-GFCCVEGCSA-N 300.427 3.240 0 40 DGAB CCOc1cc(CNCCN(CC)CC)cc(Cl)c1OC 22076074 AUMYCJTVWRHUKV-UHFFFAOYSA-N 314.857 3.179 0 40 DGAB C[C@@H](Cc1ccco1)NC(=O)CCCc1nc(C(C)(C)C)no1 25300921 CVJQATPTKGADGQ-LBPRGKRZSA-N 319.405 3.030 0 40 DGAB CON(C)C(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 27070115 BENGEJQWVLJNGX-UHFFFAOYSA-N 303.745 3.204 0 40 DGAB O=C1CCN(C(=O)OCc2ccccc2)C[C@@H]1Cc1ccccc1 27626558 LQKIVCPLRBDVNT-SFHVURJKSA-N 323.392 3.457 0 40 DGAB CC(C)c1ccc(S[C@H](C)c2nc(N)nc(N(C)C)n2)cc1 28190885 LKXVPATYOBZDRP-LLVKDONJSA-N 317.462 3.497 0 40 DGAB Cc1cccc(C(=O)NCCc2nc(-c3ccccc3)no2)c1 32593640 NPJYKMBVBILJCP-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB O=C(/C=C/c1ccco1)Nc1cccc(OC[C@@H]2CCCO2)c1 32776615 ODPFOSSCXSMWHT-IJDCCNJMSA-N 313.353 3.489 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@@H]1CC(c2ccccc2)=NO1 32912187 ONFVERFRPSGGDM-AWEZNQCLSA-N 323.377 3.428 0 40 DGAB Cc1ccc(/C=C/C(=O)OCc2cnn(-c3ccccc3)n2)cc1 32928630 MKGQVEGSHAZPOH-VAWYXSNFSA-N 319.364 3.332 0 40 DGAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 35179107 URTGJBQAKBYFFQ-AWEZNQCLSA-N 300.745 3.084 0 40 DGAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)s1 38666511 PUFGBYBBUQSCPO-SNVBAGLBSA-N 323.368 3.145 0 40 DGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1ccccc1Cl 38790663 JLKADVGKWPHNFW-GFCCVEGCSA-N 309.793 3.146 0 40 DGAB CN(C)c1cc(C(=O)N2CCC[C@@H]2c2cccs2)ccn1 40535451 DAJGVCIHLQYYDF-CYBMUJFWSA-N 301.415 3.186 0 40 DGAB COc1ccc(NC(=O)c2cc(C)n(-c3ccccc3)n2)cc1 41453964 FAPDNYCUBOOTFQ-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB Cc1cc2ccccc2n1CC(=O)N1CCc2ccc(O)cc2C1 41661594 HGMALFFXOAOLAZ-UHFFFAOYSA-N 320.392 3.240 0 40 DGAB Cc1occc1CN(C)C(=O)c1cncc(Br)c1 42397044 OVIUJSDJHMIPEB-UHFFFAOYSA-N 309.163 3.018 0 40 DGAB O=C(NCc1cccc(Cn2ccnc2)c1)NC1CCCCC1 47579217 ZWFMGSXCOMFSLM-UHFFFAOYSA-N 312.417 3.063 0 40 DGAB COc1ccc2nc(NC(=O)NCc3ccncc3)sc2c1 48248508 OXQGWRVVQKYGMN-UHFFFAOYSA-N 314.370 3.022 0 40 DGAB CCOC(=O)/C=C/c1ccc(NC(=O)OCC(F)(F)F)cc1 48375347 JGIUFERWANVZGR-VMPITWQZSA-N 317.263 3.374 0 40 DGAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)Nc1ccccc1 57178328 CLPXCVFZKRNPAX-CQSZACIVSA-N 313.376 3.474 0 40 DGAB CC(C)Oc1ccc(Cn2cnc3sccc3c2=O)cc1 58306818 ASRALCMFDGGFHL-UHFFFAOYSA-N 300.383 3.294 0 40 DGAB C[C@H](CC(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 58391647 QRBXIJFRLAVZNN-CHWSQXEVSA-N 322.399 3.344 0 40 DGAB COc1ccc2c(c1)CCN2C(=O)COc1cc(C)ccc1C 58715873 PVPWUQJTJJLMTK-UHFFFAOYSA-N 311.381 3.280 0 40 DGAB CCCNC(=O)c1sc(Nc2ccc(Cl)cn2)nc1C 65306231 QZODUYQIJXPZSD-UHFFFAOYSA-N 310.810 3.383 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)[C@H]2CCC(=O)NC2)c(C)c1 65606831 KQADWRUHEUVENK-STQMWFEESA-N 320.458 3.350 0 40 DGAB O=C(CCCc1cccs1)N1CCC[C@H](n2ccnc2)C1 69701492 DOTVPRBLCDOMLP-AWEZNQCLSA-N 303.431 3.131 0 40 DGAB Cc1csc(-c2ccc(NC(=O)NC[C@H]3CCCO3)cc2)n1 71854019 IMRLRTUPBZXBCP-CQSZACIVSA-N 317.414 3.419 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 72293653 JAFJMOUOYGAKJZ-NEPJUHHUSA-N 313.825 3.021 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)[C@H]1C[C@@H]1C)CC1(CCOCC1)O2 72334214 WNWBDFOCJJTNMC-DZKIICNBSA-N 315.413 3.140 0 40 DGAB C[C@@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)nc1 72630915 ROVAONIWCNWJIA-NSHDSACASA-N 313.829 3.080 0 40 DGAB COC(=O)c1cc(C(C)C)ccc1NC(=O)Cc1cc(C)on1 74537778 WIZRXKOKTKDTOF-UHFFFAOYSA-N 316.357 3.074 0 40 DGAB CCCCNS(=O)(=O)c1cc(Cl)c(OC)cc1Cl 74935813 WFGJLRLQGDURSX-UHFFFAOYSA-N 312.218 3.080 0 40 DGAB Cc1nc([C@H](C)NC(=O)N2CCS[C@@H](C(C)C)C2)cs1 76086132 XFKJRMZJFYMXDX-GXFFZTMASA-N 313.492 3.296 0 40 DGAB CCN(C(=O)COc1ccc(C(F)(F)F)cc1)C1CCC1 78825011 YWVLLKUBZGMFCQ-UHFFFAOYSA-N 301.308 3.485 0 40 DGAB Cc1cnc([C@@H](NC(=O)c2cc(C3CC3)on2)C2CC2)s1 89702391 WMCOTGPSZWXHLL-ZDUSSCGKSA-N 303.387 3.198 0 40 DGAB C[S@@](=O)c1cccc(NCc2ccc(-n3ccnc3)cc2)c1 95428789 IXRWXYKHHZHBQC-QFIPXVFZSA-N 311.410 3.222 0 40 DGAB Cc1cnc([C@@H](C)CNC(=O)Nc2cnn(CC(C)C)c2)s1 95939143 GVWZEUQZYXDJBL-NSHDSACASA-N 321.450 3.229 0 40 DGAB Cc1c(O)cccc1C(=O)NCCCOCCc1ccccc1 95978345 VFDFGTWOLHSKCG-UHFFFAOYSA-N 313.397 3.080 0 40 DGAB CCS[C@@H]1CC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1 95990131 RQWMXCXPHCRTDA-HUUCEWRRSA-N 302.447 3.236 0 40 DGAB O=C(NCCn1ccc(-c2cccs2)n1)[C@@H]1CC=CCC1 96103858 CWPFLFUEBNCAAE-CYBMUJFWSA-N 301.415 3.084 0 40 DGAB CC(C)CN1CC[C@@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244355 MQIKXAUVRNIUHZ-FQEVSTJZSA-N 323.440 3.273 0 40 DGAB CO[C@H](CNC(=O)CCc1ccccc1F)c1cccc(F)c1 96388342 WYVGKBCKFFQPCM-QGZVFWFLSA-N 319.351 3.401 0 40 DGAB CCc1noc(CN(C)C(=O)[C@@H](c2ccccc2)[C@H](C)CC)n1 96408420 CZTHEDBZCOSPOC-CXAGYDPISA-N 315.417 3.420 0 40 DGAB COCCOCCC(=O)N[C@@H](C)c1cccc(Cl)c1Cl 96409996 YEXCDDJNOGPSKX-JTQLQIEISA-N 320.216 3.224 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)NC1CCC(O)CC1 96454144 SEUXKEMNJYVYCN-UHFFFAOYSA-N 311.809 3.162 0 40 DGAB Cc1nc(C)c(CN[C@@H](C)CC(=O)N2CCCCCC2)s1 96478494 LGFJYQLDGLIJPJ-LBPRGKRZSA-N 309.479 3.031 0 40 DGAB CCNC(=O)N1CCC(Nc2cccc(N(C)C(C)C)c2)CC1 97084621 QYGDMSLISFBPCT-UHFFFAOYSA-N 318.465 3.137 0 40 DGAB O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccncc1F 97135683 LSJZMRBXNLHWTF-UHFFFAOYSA-N 320.271 3.018 0 40 DGAB CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 97233920 WXHQVTDONXKUOQ-KGLIPLIRSA-N 323.412 3.271 0 40 DGAB Cn1cc(-c2csc(CCCNC(=O)OC(C)(C)C)n2)cn1 194542431 GPKWFMGBFLQVMP-UHFFFAOYSA-N 322.434 3.001 0 40 DGAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cc(C)no1 195570130 FCYRDKDKRHWSOZ-UHFFFAOYSA-N 302.374 3.050 0 40 DGAB CCC1(CC)NC(=S)N(c2ccc(Br)cc2)N1 225352300 CAFGLCRJCHNXQK-UHFFFAOYSA-N 314.252 3.165 0 40 DGAB COc1ccc([C@@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225467199 MHZMDMCAQIUJKV-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB CC(=O)N[C@H](C)C1CCN(Cc2ccc(C)c(Cl)c2)CC1 225585743 UXALGOKOZJQPLB-CYBMUJFWSA-N 308.853 3.385 0 40 DGAB CCOCCNC(=O)c1ccc2c(c1)nc(Cl)n2C(C)C 225987706 ZPSXUISZKHBVCP-UHFFFAOYSA-N 309.797 3.037 0 40 DGAB Cc1cc(N)ccc1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 226301760 WANYFWKVFBBMSE-BETUJISGSA-N 314.385 3.087 0 40 DGAB NC(=O)c1cc(N)ccc1OCc1ccc(Cl)c(Cl)c1 226327724 TXHBXUIYWMRMMG-UHFFFAOYSA-N 311.168 3.254 0 40 DGAB CC[C@H](Oc1ccc(OC)cc1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251225263 OKLADSGWKVVMSH-CLROSIBMSA-N 303.402 3.157 0 40 DGAB Cc1cc(C)c2c(N[C@H](C)C3CCC(CN)CC3)n[nH]c2n1 257264491 LUPSTFAMEUUQQA-IYXRBSQSSA-N 301.438 3.140 0 40 DGAB C[C@]12CCCN(C(=O)c3ccc4ccccc4n3)[C@H]1CCCCN2 257343455 ZTCPJUIDYLMFOL-ICSRJNTNSA-N 323.440 3.372 0 40 DGAB O=C(O)c1cc(-c2c(F)cc(Br)cc2F)on1 258633519 GHCYFERAFNFTGV-UHFFFAOYSA-N 304.046 3.081 0 40 DGAB CC(C)(NC(=O)Cc1ccccc1C(F)(F)F)c1ncc[nH]1 565780521 ZJFIXWRRHVAZJY-UHFFFAOYSA-N 311.307 3.023 0 40 DGAB O=S(=O)(NCc1ccccc1OC1CCC1)c1ccsc1 585081684 GPUQEUWXEDGMIV-UHFFFAOYSA-N 323.439 3.158 0 40 DGAB COc1ccc2c(c1)N(C(=O)CC(C)(C)CC(=O)O)CCCC2 630300562 XGEJLYYDDQERDI-UHFFFAOYSA-N 319.401 3.256 0 40 DGAB CCCC(=O)Nc1c(C(=O)OCC)[nH]c2ccc(OC)cc12 326020 XCHBEYUSENWHMH-UHFFFAOYSA-N 304.346 3.092 0 40 DGAB Cc1nc(C)c(CNC(=O)N[C@@H](C)Cc2ccsc2)s1 78940525 ONMIYKCPTHLMTC-VIFPVBQESA-N 309.460 3.252 0 40 DGAB Cc1cc(N(C)C)ccc1NC(=O)N(C)Cc1cccc(O)c1 79676067 ZIQXTBAPVMGGTA-UHFFFAOYSA-N 313.401 3.431 0 40 DGAB O=CNc1cc2c(cc1Br)-c1ccccc1[C@H]2O 1569593 RNPWOLNTFGSOBZ-CQSZACIVSA-N 304.143 3.080 0 40 DGAB COc1ccc(CCNC(=O)CSc2ccccc2)cc1 2634975 XIDOXVQFUKRFSX-UHFFFAOYSA-N 301.411 3.146 0 40 DGAB O=C(Nc1cccc(Cl)c1F)[C@H]1CC(=O)N(C2CCCC2)C1 23224330 PMYSJHNHFKYJGT-JTQLQIEISA-N 324.783 3.209 0 40 DGAB CN(CC(C)(C)NS(=O)(=O)c1ccccc1)C1CCCCC1 3178791 ZEHPOJIVVBSKIB-UHFFFAOYSA-N 324.490 3.008 0 40 DGAB O=C(NCc1ccccc1)c1ccc(OC[C@H]2CCCO2)cc1 3480405 ILIMMMILXIHNCA-GOSISDBHSA-N 311.381 3.174 0 40 DGAB Cc1cc(C)c(C)c(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)c1 4305125 NIMLFKFFHIODPF-MPGHIAIKSA-N 305.462 3.329 0 40 DGAB COc1cccc2cc(C(=O)Nc3cccc(C)c3)c(=N)oc12 4637265 APQGRBSSMMLJTM-UHFFFAOYSA-N 308.337 3.482 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)Cc1ccsc1 23972061 XOQSNNZWZNBLMZ-GFCCVEGCSA-N 303.383 3.169 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 12552364 JPQYYNFUJFKDIY-UHFFFAOYSA-N 313.279 3.188 0 40 DGAB COc1ccc(NC(=S)NCc2ccc(F)cc2)cc1OC 7351428 JKLMYRIJMDTYFB-UHFFFAOYSA-N 320.389 3.330 0 40 DGAB COc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2C)C1=O 101275290 SIHAJQLFIZICTA-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB CCOc1ccc(CN(C)C(=O)c2n[nH]c3ccccc23)cc1 12530828 ZUFRHQUTWUJGIN-UHFFFAOYSA-N 309.369 3.234 0 40 DGAB CC(=O)c1csc(NC(=O)CCCOc2ccc(C)cc2)n1 25256286 BXUYYOLUUAQRTA-UHFFFAOYSA-N 318.398 3.452 0 40 DGAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@@H](CC2)[C@H]1C(=O)OCC(C)C 104365960 BISLPGDYPCUSGZ-YHUYYLMFSA-N 308.418 3.213 0 40 DGAB O=C(c1ccc(C(F)(F)F)nc1)N1CCc2ccccc2C1 26154566 KPMIUAWNKQVILX-UHFFFAOYSA-N 306.287 3.299 0 40 DGAB CC(C)c1ocnc1C(=O)OC[C@H]1Cc2cc(F)ccc2O1 95399983 IRMDEYAWYYPHDH-GFCCVEGCSA-N 305.305 3.098 0 40 DGAB CC(C)c1nnc2n1N1C(=CS[C@@H]1c1cccnc1)S2 36080047 ZPLYOIBHOWTREV-GFCCVEGCSA-N 303.416 3.085 0 40 DGAB Cc1cc(C(=O)CCC(=O)NCCc2ccccn2)c(C)s1 12634086 PFDXSBJSNVTNJE-UHFFFAOYSA-N 316.426 3.082 0 40 DGAB Cc1csc(CNC(=O)N(Cc2cccc(O)c2)C2CC2)n1 44967458 QWDYKJLFIQVHKF-UHFFFAOYSA-N 317.414 3.031 0 40 DGAB CC(C)C(=O)NCc1cn(-c2ccccc2)nc1-c1ccncc1 58420252 UMGBEIFURGTXRP-UHFFFAOYSA-N 320.396 3.207 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)c1ccc(C(F)(F)F)nc1 28665583 NTXYETQRVQHOTL-LBPRGKRZSA-N 322.286 3.354 0 40 DGAB Cc1ccc2nc(CNc3ccc(F)c(F)c3F)cc(=O)n2c1 11041479 LPVWQDDRWQNAEV-UHFFFAOYSA-N 319.286 3.032 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)Sc1nc(C2CC2)n[nH]1 11473123 GCCCWUCESBRCBL-SNVBAGLBSA-N 302.403 3.110 0 40 DGAB CCc1c(C(=O)Nc2cccc(F)c2)cnn1-c1ccccn1 46083258 NYDGFEVXNXSGHJ-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB COc1ncccc1C(=O)Nc1ccc(-c2coc(C)n2)cc1 29953984 VUCHOWSWABDUIH-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB COc1ccccc1C(=O)Nc1cnc2c(cnn2C(C)C)c1 12931662 OROIZNSUHNDIJK-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)NCc2nc(C)cs2)cc1 63071087 FMICRRRQQDJCBK-GFCCVEGCSA-N 319.430 3.027 0 40 DGAB CC(C)(C)OC(=O)N1N=C2CCCCC[C@@H]2[C@]1(O)C(F)(F)F 4503227 KPWCHMCWGLGPEW-ZANVPECISA-N 322.327 3.424 0 40 DGAB Cn1cc(CC(=O)N2CCCc3ncccc32)c2ccccc21 65859653 YTBYXQCUUQQWGF-UHFFFAOYSA-N 305.381 3.095 0 40 DGAB C[S@](=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 14349768 YGVKLLKEIGJMII-JOCHJYFZSA-N 310.378 3.225 0 40 DGAB COC(=O)CN1c2ccccc2Oc2nc3ccccc3nc21 5798238 FLLYTNVFVAFPHF-UHFFFAOYSA-N 307.309 3.047 0 40 DGAB NC(=O)c1cccc(NC(=O)c2cc3c(s2)CCCCC3)c1 15567155 IMIQIZGGXPUQBM-UHFFFAOYSA-N 314.410 3.368 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCc2ncccc2C)C1 95411251 REIVQHQQDYCKRB-UONOGXRCSA-N 307.463 3.206 0 40 DGAB O=C1N(CC2CC2)[C@@H](c2csc(C3CC3)n2)NC12CCCC2 95408374 RQCJJSIQWMZKNO-AWEZNQCLSA-N 317.458 3.174 0 40 DGAB CC(=O)NCc1ccc(-c2nc(Cc3ccccc3)no2)s1 71890295 BYNXYGVSWPEFII-UHFFFAOYSA-N 313.382 3.025 0 40 DGAB Cc1nc2cc(NC(=O)Cc3cn4ccsc4n3)ccc2o1 8279884 CJCRGGAFIKZWMG-UHFFFAOYSA-N 312.354 3.027 0 40 DGAB COCc1cccc(C(=O)N[C@H]2C[C@H]2c2ccccc2OC)c1 69517652 JVNAZWNMRPWFJT-IRXDYDNUSA-N 311.381 3.128 0 40 DGAB CCOc1ccc(NC(=O)c2cc(Cl)ccn2)cc1OC 8724804 XKGGFTWBEZIOCU-UHFFFAOYSA-N 306.749 3.395 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(C)c(F)c2)c1C 8877199 AVHVWTVNZSAYOS-UHFFFAOYSA-N 302.349 3.212 0 40 DGAB COc1ccc([C@H](C)NCc2cnccc2N(C)C)cc1F 97049524 KCSZFLRNUYXPSY-LBPRGKRZSA-N 303.381 3.146 0 40 DGAB Cc1c(C(=O)OC[C@H]2CC=CC[C@@H]2C)cnn1C1CCOCC1 97032288 JSTYXCZQXMJZAS-DZGCQCFKSA-N 318.417 3.302 0 40 DGAB CCC[C@@H]1SCCN1C(=O)[C@@H](C)OCc1cccc(OC)c1 72288335 WJTZCSBQMWOHOY-CJNGLKHVSA-N 323.458 3.302 0 40 DGAB CCN(Cc1cccc(NC2CCN(C(C)C)CC2)c1)C(C)=O 97238255 PUUHUJCYUJCVAP-UHFFFAOYSA-N 317.477 3.340 0 40 DGAB O=C(NCCn1ccnc1)N(C1CC1)[C@H]1CCCc2ccccc21 89858276 WMBRBCTZYGQABG-SFHVURJKSA-N 324.428 3.135 0 40 DGAB CC(C)c1noc(CN2CCC[C@H]2c2noc(C(C)C)n2)n1 75573289 FNHYXIKKCSZMFU-NSHDSACASA-N 305.382 3.037 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)O)[C@H]1c1ccccc1 66354365 ORQZQOCBEQAYBJ-ZIAGYGMSSA-N 305.374 3.459 0 40 DGAB CCn1nc(C)c2c(C(=O)NC3CCCCC3)cc(C)nc21 28245971 JYKFMLCMGUFOKY-UHFFFAOYSA-N 300.406 3.131 0 40 DGAB COc1ccc(CN(C)C(=O)[C@@H](C)Oc2ccccc2C)cc1 20453253 HEKIQMUVINERBX-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)cn1 25014020 BEMQAEOSKCZJAF-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccc(Cl)s1)c1cccs1 33471915 ALYLJGKHXWSSIB-SECBINFHSA-N 314.863 3.496 0 40 DGAB C[C@@H](NS(=O)(=O)c1cccc(Cl)c1)c1cccs1 74856766 QUOXUGDGEZTJDM-SECBINFHSA-N 301.820 3.441 0 40 DGAB COc1ccccc1C(=O)N1CCC[C@H](Cc2nccs2)C1 72385161 YWMDCEJDUHIFDZ-CYBMUJFWSA-N 316.426 3.247 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1C(C)C 72219421 VIDJGQUFTPNBTP-QGZVFWFLSA-N 303.450 3.162 0 40 DGAB O=C(Nc1cc(Cl)ccc1O)c1cnc(C(F)(F)F)nc1 187068540 CTCCFWRBTUOGDH-UHFFFAOYSA-N 317.654 3.107 0 40 DGAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1F 72227537 ROKHSQSYZOFPDX-KGLIPLIRSA-N 324.277 3.260 0 40 DGAB CC[C@H](C)NC(=O)c1ccn(COc2ccccc2Cl)n1 32648080 XAJQOBQDQHENQX-NSHDSACASA-N 307.781 3.101 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1ccc(F)cc1OCC(F)(F)F 70868006 XCTKYRNQNGDTFA-SNVBAGLBSA-N 321.270 3.274 0 40 DGAB COc1ccc([C@@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225467025 DUZRVZHPHQQZLC-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB Cc1cccc(NC(=S)NCc2ccc(-n3ccnc3)cc2)n1 225455436 YPOOLWUTBIIZBX-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)N[C@@H](C)c1ccc(Cl)cc1 84072190 QXUJEFZATGAELS-NSHDSACASA-N 319.792 3.230 0 40 DGAB C[C@@H](CCc1ccc(O)cc1)Nc1ccc2c(c1)OCC(=O)N2 136915274 JQSNKWIHFIASOK-LBPRGKRZSA-N 312.369 3.156 0 40 DGAB c1ccc(Oc2ncccc2-c2noc(-c3cnc[nH]3)n2)cc1 19640557 UKYBPEZLFGNHMM-UHFFFAOYSA-N 305.297 3.314 0 40 DGAB CC[C@@H](CNC(=O)N(C)CC1CC(O)C1)c1ccc(Cl)cc1 195575717 MNCGVMQODBGKRX-UYJPIKCFSA-N 324.852 3.246 0 40 DGAB CCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCCCCC1 225899603 HGKLTKPODWIFMQ-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cccc(F)c1 199524707 REEMZMCGBSYVKU-GFCCVEGCSA-N 304.254 3.306 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)c(C)c1 95915135 LWVPCFZEXWIMSJ-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB COC(=O)C1(c2ccccc2)CCN(C(=O)OC(C)(C)C)CC1 95496264 FNIDBKCXXQZEMA-UHFFFAOYSA-N 319.401 3.128 0 40 DGAB C[C@H](CNC(=O)c1cc2cc(F)ccc2o1)CC1(C)OCCO1 96437334 OGUFEBSJIWDVRF-NSHDSACASA-N 321.348 3.091 0 40 DGAB O=C1CCOC[C@H]2[C@H]1[C@@H](c1ccccc1)CN2Cc1ccccc1 95951712 ZYNSKBKVJJHUEL-SVFBPWRDSA-N 321.420 3.260 0 40 DGAB Cc1cccc(CO[C@H]2CSC3(C2)CN(C2CCC2)C3)n1 247880931 QYFJQAFFBVOPPK-MRXNPFEDSA-N 304.459 3.019 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@H](Cc2ccccn2)C1 257292604 QMGOLUNZPLODPF-CQSZACIVSA-N 300.427 3.167 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cnc3ccccc3c2)n1 257323276 WJLWAZWQPRJOHD-QGZVFWFLSA-N 320.396 3.254 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccnc(-c2ccncc2)c1 390828809 UMUCDYHVJALGQB-VOTSOKGWSA-N 315.376 3.473 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)NCC[C@]1(C)C[C@]1(F)Cl 685938997 WOFNMSURSFZCLT-NWANDNLSSA-N 320.836 3.148 0 40 DGAB Brc1cnc(Oc2cccc(-c3nnco3)c2)nc1 67349697 GPTHHPYHBHNDEN-UHFFFAOYSA-N 319.118 3.081 0 40 DGAB Cc1noc(C)c1CSCC(=O)N1Cc2ccccc2C1 69416101 IRGMIFIDTHMBEP-UHFFFAOYSA-N 302.399 3.067 0 40 DGAB COCCC(=O)Nc1cccc(Cn2cnc3ccccc32)c1 68146614 JFZAPELCWZCKDS-UHFFFAOYSA-N 309.369 3.060 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CN(Cc1cccs1)C1CC1 32778645 ZNZRALDFYZIBQB-CZUORRHYSA-N 306.475 3.407 0 40 DGAB CCN1C[C@@H](C(=O)N(Cc2ccccc2)c2ccccc2)CC1=O 58735904 CDEIJFHIAOCKDO-KRWDZBQOSA-N 322.408 3.088 0 40 DGAB FC(F)(F)Oc1c(I)ccnc1Cl 118605082 MHDNSZPBNHYUHH-UHFFFAOYSA-N 323.439 3.238 0 40 DGAB CN(C)CCCNc1ncc(-c2ccncc2)c(-c2ccco2)n1 12222332 YZDBNDZOZTUMGR-UHFFFAOYSA-N 323.400 3.162 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 12802938 YRSCGTUURXPCNA-WMLDXEAASA-N 322.408 3.254 0 40 DGAB C[C@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1ccccc1 15671179 PMCZQOFYTOBCHT-GETOMWPZSA-N 306.365 3.464 0 40 DGAB Cc1ccc(N2C[C@@](O)(c3cccs3)[N+]3=C2CCCC3)cc1 15953373 JVOFNBBDUCBYOB-GOSISDBHSA-N 313.446 3.317 0 40 DGAB CC(=O)c1c(C)nc2nc(-c3ccc(Cl)cc3)nn2c1C 16249418 PMOAZIYHYUGHBS-UHFFFAOYSA-N 300.749 3.264 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cccc(N2CCCC2=O)c1 18076806 QNSILQMMZSAQLC-CQSZACIVSA-N 320.392 3.405 0 40 DGAB Cc1cccc(-c2cc(CC3(C(=O)O)CCOCC3)on2)c1 19235309 LWHUNRRITJFKGX-UHFFFAOYSA-N 301.342 3.074 0 40 DGAB COC(=O)[C@@H](OP(=O)(OC(C)C)OC(C)C)C(F)(F)F 3118478 ZDYIYMOKTDFBPT-MRVPVSSYSA-N 322.216 3.065 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NCc2ccco2)cc1C 3456738 NDGWYGAGHOKTCG-UHFFFAOYSA-N 318.398 3.015 0 40 DGAB c1ccc(N2CCN(Cc3nc4ccccc4s3)CC2)nc1 23763754 USWVYBOOEILWIH-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB O=C(Nc1cccc(O)c1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4504977 HPTUIUXNCRHRTH-OAHLLOKOSA-N 316.744 3.177 0 40 DGAB COc1ccccc1-c1nnc2n1N=C(c1ccccc1)CS2 4851848 YXRYSMIDUVPSFP-UHFFFAOYSA-N 322.393 3.312 0 40 DGAB c1ccc2nc(N3CCC[C@H](COc4cnccn4)C3)ccc2c1 2298224360 ZGUMQWNQMXZUPD-HNNXBMFYSA-N 320.396 3.320 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCN(C)C[C@H]2c2ccccc2)o1 30029302 UGWASGKXJVFIMA-ZGKFYVQTSA-N 310.397 3.117 0 40 DGAB CN(C(=O)Cc1cn2ccsc2n1)[C@@H]1CCc2ccccc21 30978306 ICILIGMKHXLGLO-OAHLLOKOSA-N 311.410 3.084 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1ccccc1Br 341635 YBAPBZBRVLVODD-UHFFFAOYSA-N 320.142 3.430 0 40 DGAB CN(C(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1CCc2ccccc21 32905310 XBLFDZIXMTWRKF-GOSISDBHSA-N 320.392 3.331 0 40 DGAB COc1ccc(C2=NCC(=O)Nc3c2oc2ccccc32)cc1 487498 ANQOMEKGPGAGJF-UHFFFAOYSA-N 306.321 3.231 0 40 DGAB biogenic CCOC(=O)c1c(NC(=O)C(F)(F)F)sc(C)c1CC 483753 VKTJWIUOYNSBQS-UHFFFAOYSA-N 309.309 3.296 0 40 DGAB Cc1ccc(C(=O)Nc2cc3c(cc2Cl)OCCO3)cn1 22697845 UWFLWSQVYIGFIP-UHFFFAOYSA-N 304.733 3.067 0 40 DGAB CCOc1cc(CN2CCN(C(CC)CC)CC2)ccc1OC 19361716 HSZUIEJPLGPHDG-UHFFFAOYSA-N 320.477 3.400 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)CCc2cccnc2)o1 78934777 IZAOYVBYTFDEIN-OAHLLOKOSA-N 316.426 3.232 0 40 DGAB Cc1cccc(CSc2nnc(NC(=O)C3CC3)s2)c1 6837403 XVEMJBVHCRJKMU-UHFFFAOYSA-N 305.428 3.487 0 40 DGAB O=C(O)c1ccc(F)c(NC(=O)c2ccn(C3CCCC3)n2)c1 97231279 BGYHKECWRHLBSW-UHFFFAOYSA-N 317.320 3.088 0 40 DGAB Cc1cccn2cc(COc3ccccc3C(=O)NC3CC3)nc12 12559855 PHOFLDAXNTXADN-UHFFFAOYSA-N 321.380 3.114 0 40 DGAB COc1ccc(OCCCC(=O)NCc2cccc(C)c2)cc1 10448367 PEFMLIYMUHBHPT-UHFFFAOYSA-N 313.397 3.479 0 40 DGAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCOc2ccccc21 24585816 KSZKFLZHLLHCDU-UHFFFAOYSA-N 317.728 3.108 0 40 DGAB C[C@](O)(CS(=O)(=O)Cc1ccccc1)c1ccccc1Cl 1388753 NTHVAGLKFSCQPI-INIZCTEOSA-N 324.829 3.163 0 40 DGAB O=C(NCc1ccc(OCc2ccccn2)cc1)C1CCCC1 55649596 GNGPCDYSYBVDNQ-UHFFFAOYSA-N 310.397 3.467 0 40 DGAB C[C@@H]1CCCCN1C[C@H](O)CO[C@@H]1C[C@@H]2CC[C@]1(C)C2(C)C 101213709 CJWMPMQBXURRSF-RDHIYWLCSA-N 309.494 3.453 0 40 DGAB Cc1ccc2nc(CNC(=O)c3ccc4ccccc4n3)[nH]c2c1 72305525 IZDVHRMXIJCTKS-UHFFFAOYSA-N 316.364 3.350 0 40 DGAB CCOc1ccc(NC(=O)C(=O)Nc2cc(C)cc(C)c2)cc1 9910969 CELKCLQDLJBVPO-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB c1cnn(Cc2ccc(N[C@@H]3[C@H]4CCO[C@H]4C34CCC4)cc2)c1 108472487 DTJGJBKMSZRHBQ-KZNAEPCWSA-N 309.413 3.301 0 40 DGAB O=C(COC(=O)c1cccs1)Nc1cc(F)ccc1Cl 57471787 VTYZULGCVFQQIT-UHFFFAOYSA-N 313.737 3.336 0 40 DGAB CCCOc1ccccc1C(=O)NCC1(N(C)C)CCCCC1 27579728 SKGQZLVLNQNTAE-UHFFFAOYSA-N 318.461 3.470 0 40 DGAB O=C(O)c1cnc(/C=C/c2cnc(-c3ccccc3)nc2)s1 58391951 HTQLPUKYDKWYTK-VOTSOKGWSA-N 309.350 3.469 0 40 DGAB C[C@H](NC(=O)c1cc(-c2cccc(Cl)c2)on1)[C@H]1CCCO1 27908145 OTNVZVJTERVLDI-IINYFYTJSA-N 320.776 3.292 0 40 DGAB CN(C(=O)c1ccc(CN2CCCC2=O)cc1)c1ccccc1 20040168 OVCCXRAYSBIUMF-UHFFFAOYSA-N 308.381 3.086 0 40 DGAB CCN(CC)[C@](C)(C(=O)O)c1ccc(F)c(Br)c1 61689643 WJZCQAQYIUJANC-ZDUSSCGKSA-N 318.186 3.230 0 40 DGAB Cc1ccc(Cc2c(C)nn(-c3nc(C)cc(C)n3)c2O)cc1 100129698 FYWVIFPIMLPFDC-UHFFFAOYSA-N 308.385 3.192 0 40 DGAB C[C@H](SCc1ccccc1)C(=O)Nc1ccccc1C(N)=O 54372167 GICFHRQMHSMVGM-LBPRGKRZSA-N 314.410 3.046 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CC=C(c2ccc(O)cc2)CC1 45613393 WDAGAPKNCYDWSI-UHFFFAOYSA-N 312.413 3.380 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1cc(F)cc(F)c1 9053488 AWVJDMWGMJIJAC-UHFFFAOYSA-N 316.263 3.062 0 40 DGAB Cc1ccc(C)c(NC(=O)CCCNC(=O)c2ccco2)c1 12894295 NNBUZHDSTYIKFC-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB O=C(c1ccc(CN2CCC3(CC2)OCCO3)cc1)C1CCC1 2514761 KJOSQNOIHWKPFR-UHFFFAOYSA-N 315.413 3.008 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)Nc1ccccc1O 12885074 UVAMURMYEINSMQ-QGZVFWFLSA-N 322.364 3.295 0 40 DGAB Cc1noc(C)c1CNC(=O)Cc1ccc(CC(C)C)cc1 60064130 KVVOUIIGBBNUOE-UHFFFAOYSA-N 300.402 3.349 0 40 DGAB CC(C)N(C)CC1CCN(C(=O)c2cc3c(s2)CCC3)CC1 60395436 QDJHCYSRLWTKJO-UHFFFAOYSA-N 320.502 3.429 0 40 DGAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)nc(C)c1C 2623354 UYZBMZLPZBBTIN-UHFFFAOYSA-N 305.378 3.272 0 40 DGAB Cc1ccccc1Cn1cnc(NC(=O)c2ccc(F)cc2)n1 2795309 QKJQPIHQANHVAS-UHFFFAOYSA-N 310.332 3.026 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCC(C)CC2)c1C 3459766 OPJNHWYWVQKGES-CQSZACIVSA-N 320.433 3.111 0 40 DGAB O=C(CSC1CCCC1)Nc1ccc(N2CCOCC2)cc1 3440906 SSQWVIUGKXPEFT-UHFFFAOYSA-N 320.458 3.138 0 40 DGAB Cc1ccc(C(=O)N(C)CC(=O)Nc2ccc(Cl)cc2)cc1 3553706 ZRVORYPRUZZITN-UHFFFAOYSA-N 316.788 3.359 0 40 DGAB COC[C@H](C)NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 12919304 XOLPZBVQUAPLFB-AEZGRPFRSA-N 320.389 3.114 0 40 DGAB C/C=C/c1cc(C(=O)OCc2cc(C)on2)cc(OC)c1OC 12914357 RJEVAWMXDIKJEK-AATRIKPKSA-N 317.341 3.390 0 40 DGAB C[C@@H]1C[C@@H](C)CN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 13040388 MFGURFUNWWVTSX-GHMZBOCLSA-N 305.809 3.467 0 40 DGAB O=C([C@H]1C[C@H]2CC[C@@H]1C2)N1CCN(c2cccc(Cl)c2)CC1 4044713 RYUWZDKWBSDILW-VBQJREDUSA-N 318.848 3.425 0 40 DGAB Cc1noc(Cl)c1CCC(=O)Nc1ccc(F)c(F)c1 64363468 RALKPPDEZQGXLO-UHFFFAOYSA-N 300.692 3.486 0 40 DGAB Cc1nnc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)s1 96003206 MICYNXWERXPUHK-NSHDSACASA-N 313.430 3.191 0 40 DGAB O=C(Cc1n[nH]c2ccccc12)N(Cc1cccs1)C1CC1 65564218 FAHMAYNXOBAPNG-UHFFFAOYSA-N 311.410 3.358 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)/C=C/c1cccs1 5505760 FEVLIGPHPYEDSP-TYDXBBDOSA-N 307.415 3.094 0 40 DGAB Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)C(C)(C)C 5724172 SNTFDIWQZQTNDR-UHFFFAOYSA-N 315.417 3.226 0 40 DGAB CN(C)[C@H](CNc1ncnc2sccc12)Cc1ccccc1 15128907 NSRJNKGSEVLFPI-AWEZNQCLSA-N 312.442 3.276 0 40 DGAB C[C@H](NC1CC(c2ccc(F)cc2)C1)C(=O)N1CCCCC1 97084826 XYWDFAQFVUMUJR-KTAKPFMOSA-N 304.409 3.062 0 40 DGAB COc1ccc(CNC(=O)c2cc(-c3ccccc3)n[nH]2)cc1 7774558 KHMPUYNJHNMWRF-UHFFFAOYSA-N 307.353 3.015 0 40 DGAB biogenic Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@H]3C)cc1 26897359 VLHKJWOJQBGFAX-OLZOCXBDSA-N 317.410 3.278 0 40 DGAB C[C@H]1C[C@@]2(CO)[C@@H](CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]32)CC1=O 118928800 OXYCLRYUYLGPSO-JSDJAJSQSA-N 320.473 3.178 0 40 DGAB Cc1ncc(C(=O)N2CCC([C@H](O)c3ccccc3)CC2)s1 69389632 AAZQYALSDQAXIF-MRXNPFEDSA-N 316.426 3.037 0 40 DGAB CC(C)[C@H](C)NC(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 69389781 CREWBBMJYHPACJ-WDEREUQCSA-N 320.368 3.280 0 40 DGAB CCC[C@@H](NC(=O)c1cccc(OC)c1)c1nnc2ccccn12 69457085 SPPXZUFAKQMZMR-OAHLLOKOSA-N 324.384 3.009 0 40 DGAB COc1ccccc1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 72298865 BIQJDFJATTWHFT-CYBMUJFWSA-N 316.426 3.480 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCCc1ccccc1 69739748 VVSSICUYBXFLLN-RTBURBONSA-N 300.446 3.095 0 40 DGAB Cn1ccs/c1=N/C(=O)c1ccccc1C(=O)c1ccccc1 29650115 LZVXPKNWOQAZMY-VHEBQXMUSA-N 322.389 3.059 0 40 DGAB CCOc1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1C(N)=O 19111703 NAKRVDQXFOQTLL-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1cc(Cl)cn1C 72234042 ONPOFEHSTBKAKQ-CYBMUJFWSA-N 320.824 3.006 0 40 DGAB Cc1nc2cc(NC(=O)[C@H]3CC(=O)Nc4ccccc43)ccc2o1 9709886 CWXNKWKLCACQTQ-ZDUSSCGKSA-N 321.336 3.201 0 40 DGAB CC[C@H](C)[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)C(N)=O 84721392 FIZHMUHFFHKYNE-IMTBSYHQSA-N 309.719 3.066 0 40 DGAB CCn1c([C@H]2CCCN2CCn2ccnc2C)nc2ccccc21 95446902 UECFKMGUVHKAJO-GOSISDBHSA-N 323.444 3.398 0 40 DGAB CCc1ccccc1NC(=O)C[C@H](C)NCc1cc(C)on1 95420853 STJYGFMVCGRAGU-LBPRGKRZSA-N 301.390 3.052 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCC[C@]2(C)CCCO)c1 95455389 LUGWUISMVYCDQE-QGZVFWFLSA-N 304.390 3.048 0 40 DGAB O=C(O)c1ccc(C(F)(F)F)c(I)c1 95917673 WNJDSOAQPKABJD-UHFFFAOYSA-N 316.016 3.008 0 40 DGAB in-vitro CSCc1cccc(NC(=O)c2cnc3c(c2)ncn3C)c1 95997799 XMWZVXVEUNGDKD-UHFFFAOYSA-N 312.398 3.084 0 40 DGAB O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1sccc1C1CC1 95956179 GPYNXQVQPACOCN-CQSZACIVSA-N 314.410 3.121 0 40 DGAB O=C(NCc1ccc(-c2cccnc2)cc1)Nc1cccnc1 89794105 DTXPBZXSGGMVLA-UHFFFAOYSA-N 304.353 3.465 0 40 DGAB COc1ccc([C@H](C)NC(=O)N(CC(F)F)C2CC2)cc1F 75606864 SCAWQYCJMLKVLU-VIFPVBQESA-N 316.323 3.334 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@H](O)CC[C@]34C)[C@@H]1C[C@H](CO)C2=O 118924046 KQHKUOHLCRQQSG-AQUYJVJHSA-N 320.473 3.178 0 40 DGAB C[C@@H](NC(=O)c1cccc(F)c1F)c1ccc2c(c1)OCO2 28305244 ZZOYQZMTBJLTBZ-SECBINFHSA-N 305.280 3.185 0 40 DGAB O=C(NC[C@@H]1C[C@@H]2C=C[C@@H]1C2)c1snnc1-c1ccccc1 170610781 HTNFDZYPJCNEPI-BNOWGMLFSA-N 311.410 3.147 0 40 DGAB C[C@H](NC(=O)c1cccnc1S)c1ccc(-n2cccn2)cc1 75348206 INQIRNJUNMCEDB-LBPRGKRZSA-N 324.409 3.047 0 40 DGAB O=C(NCCc1cccs1)c1cc(-c2ccc(F)cc2)[nH]n1 70749381 BUNBMVPIYGMFDF-UHFFFAOYSA-N 315.373 3.250 0 40 DGAB O=C(O)c1csc(CN(C2CC2)[C@H]2CCc3ccccc32)n1 568061936 XQPQJUBOOZNXBV-HNNXBMFYSA-N 314.410 3.493 0 40 DGAB CCOC(=O)c1cnc2ccc(Br)nc2c1Cl 33359103 ZDZHIZAZXZRZOS-UHFFFAOYSA-N 315.554 3.222 0 40 DGAB Cc1cc(Nc2ncccc2C)nc([C@H]2CCN(C(C)C)C2)n1 72382384 PBKRMHRIGZXMGV-HNNXBMFYSA-N 311.433 3.430 0 40 DGAB O[C@@H](c1cccc(-c2ccc3c(c2)CCOC3)n1)C(F)(F)F 527589542 HZYWSZMBZSVFEY-HNNXBMFYSA-N 309.287 3.417 0 40 DGAB Cc1ccc(F)cc1NC(=O)C(=O)NCCC1CCCCC1 42646127 YNTSPYJVBVGONG-UHFFFAOYSA-N 306.381 3.159 0 40 DGAB Cc1cccc(CNC(=O)c2cncnc2-c2ccccc2)c1 82305718 LLSKUFINDLZDHN-UHFFFAOYSA-N 303.365 3.382 0 40 DGAB CC1(C)Oc2cc(NC(=O)c3cccs3)ccc2NC1=O 46088406 GAPMSPGXHZGLHD-UHFFFAOYSA-N 302.355 3.110 0 40 DGAB COc1ccc(C(=O)NC2(c3nccs3)CCCC2)cc1 96407341 OEAVBBCYMXKHBR-UHFFFAOYSA-N 302.399 3.351 0 40 DGAB CC1(C)CC(=O)N(CC(=O)NCc2ccccc2)c2ccccc21 96183228 YXFBUUPSSZJJMW-UHFFFAOYSA-N 322.408 3.017 0 40 DGAB CCc1nnc(NC(=O)N[C@@H](c2ncccc2C)C(C)C)s1 96406967 WOIKPFUGKUBQBN-GFCCVEGCSA-N 319.434 3.323 0 40 DGAB CC1(C)C[C@@H](NCc2nc(-c3cccs3)no2)C(C)(C)O1 97100422 JQUTWDUJQLKRPP-LLVKDONJSA-N 307.419 3.234 0 40 DGAB C[C@H](CNC(=O)NC[C@H](C)c1nccs1)c1ccsc1 96502691 DDHUCTVJUCDXJD-MNOVXSKESA-N 309.460 3.411 0 40 DGAB O=C(NC1CCOCC1)N1C[C@@H]2CCCC[C@]21c1ccccc1 96491797 KHCOZPXIAHNHOC-LPHOPBHVSA-N 314.429 3.276 0 40 DGAB C[S@@](=O)C[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1 96445384 AHNOQKLSRITQEB-IERDGZPVSA-N 305.443 3.113 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@@H](Cc2ccn[nH]2)C1 257294340 QTRGFBHINNGWFR-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB C1=C(CN2CCC[C@H](c3ccncn3)C2)COc2ccccc21 257251697 JRVIUOWKYYOHDP-KRWDZBQOSA-N 307.397 3.132 0 40 DGAB COc1ccc(CCNc2ncnc3c2CCCC3)cc1OC 129091709 ATNGXHQGIPZERH-UHFFFAOYSA-N 313.401 3.027 0 40 DGAB CN(C)CCCCCCCNC(=O)NCCc1cccs1 65542321 OOMYIOXMBWNILC-UHFFFAOYSA-N 311.495 3.102 0 40 DGAB Clc1cccnc1N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 1776008470 HEDXHTDFGVQVBM-HZPDHXFCSA-N 313.832 3.303 0 40 DGAB CC(=O)c1c(F)cccc1N1CCC(C2(C)OCCO2)CC1 89265757 JQRJZNOQRKULIR-UHFFFAOYSA-N 307.365 3.008 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)Nc2cnn(C(C)(C)C)c2)s1 95446334 NHSBKDNSYFQEKV-UHFFFAOYSA-N 321.450 3.460 0 40 DGAB COCCCNC(=O)Nc1sc(-c2ccccc2)nc1C 96010730 MODZIGBQDPQOKV-UHFFFAOYSA-N 305.403 3.277 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1C 13673893 DZSTYFKRMZMMDX-ZDUSSCGKSA-N 317.410 3.144 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C(=O)Nc1ccc(F)cc12 169271989 AZWYEZJMZSITFA-KRWDZBQOSA-N 320.364 3.047 0 40 DGAB Cc1c(C(=O)NC[C@H]2CCCO[C@H]2C(C)C)cnn1CC(C)C 163976056 FFDVCKRPJPMETC-WBVHZDCISA-N 321.465 3.029 0 40 DGAB O=C(CNC(=O)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1 1467530 RXSGDIDPFIFXLG-UHFFFAOYSA-N 323.179 3.362 0 40 DGAB CCOc1cccc(C(=O)Nc2cccc(/C=C/C(=O)O)c2)c1 226322608 BXZZFCMZMHSBSI-MDZDMXLPSA-N 311.337 3.435 0 40 DGAB CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8959091 ZZTXZNLFANQXTL-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB COc1cccc(OCC(=O)Nc2ccc(OC(F)F)cc2)c1 3196507 YBESJPJVBFPDJR-UHFFFAOYSA-N 323.295 3.314 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@]3(C)[C@@H]2CCCCN3C)on1 1848353228 JZHJYJZWVWZBRC-WMZOPIPTSA-N 319.449 3.277 0 40 DGAB Cc1cc(C(=O)N(Cc2ccco2)Cc2cccs2)on1 24461032 PVYDCKLOFOQDQJ-UHFFFAOYSA-N 302.355 3.480 0 40 DGAB CCc1ccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)cc1 5154390 RXHPMWOANPQPLO-UHFFFAOYSA-N 324.359 3.201 0 40 DGAB Cc1cc(Cl)cc2sc(NC(=O)c3ccn(C)n3)nc12 12444396 PTEYPRFMLKXHLV-UHFFFAOYSA-N 306.778 3.244 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCC2(c3cccs3)CC2)c1 22686591 GAVCGPIFKKGTRO-UHFFFAOYSA-N 321.467 3.375 0 40 DGAB Fc1ccc(-c2nnc(N3CCOCC3)c3ccccc23)cc1 126633 KEOANQZPZIXGCH-UHFFFAOYSA-N 309.344 3.273 0 40 DGAB CCc1noc(C)c1C(=O)Nc1ccc(NC(=O)C(C)C)cc1 20682068 XHKOQTINFAGQDJ-UHFFFAOYSA-N 315.373 3.392 0 40 DGAB CCCCOC(=O)c1ccc(NC(=O)c2cc(C)no2)cc1 32740575 NVCSFNPJRUSTBH-UHFFFAOYSA-N 302.330 3.192 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCCCc1nc2ccccc2[nH]1 21528456 FVESJHFFSKQOGF-CQSZACIVSA-N 323.396 3.079 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@@H]1c1ccncc1 32907484 XNOXYWZPVSYXEJ-MRXNPFEDSA-N 320.348 3.165 0 40 DGAB Cc1ccc(-c2csc3nc(-c4nnc[nH]4)[nH]c(=O)c23)cc1C 102747994 IKSBBEDBVAWKHQ-UHFFFAOYSA-N 323.381 3.054 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1ccccc1Cl)c1ccccc1 21869645 ROFGNFCRKGSAIU-KRWDZBQOSA-N 316.832 3.302 0 40 DGAB O=c1sc(N2CCc3ccccc3C2)nc2ccsc12 248602 NYABQKMVYLVFOE-UHFFFAOYSA-N 300.408 3.281 0 40 DGAB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@@H]2c1ccsc1 1427878 KBHWAKLTNNXQAT-GFCCVEGCSA-N 311.362 3.041 0 40 DGAB COc1cc(CC[C@@H](N)c2cccc(O)c2)cc(OC)c1OC 1666305 BEBIZWHEBNNDHM-OAHLLOKOSA-N 317.385 3.051 0 40 DGAB CCOC(=O)[C@H](C)Sc1nnc2cc(C)c3ccccc3n12 1924382 XEPWVPDWIQTNSR-NSHDSACASA-N 315.398 3.235 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=S)NC[C@@H]1CCCO1 2781327 AQHXDFNAYCDZNN-ZDUSSCGKSA-N 322.474 3.458 0 40 DGAB CCc1ccc(-c2n[nH]c(SCC(=O)NC(C)(C)C)n2)cc1 3551233 HBIINXGBYRFTKG-UHFFFAOYSA-N 318.446 3.041 0 40 DGAB C[C@@H]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 4525590 ICZSHQHXDHAXIS-RFAUZJTJSA-N 314.410 3.433 0 40 DGAB CCCN1[C@H]2CCC[C@@H]1CC(NC(=O)c1ccc(OC)cc1)C2 4887027 WVBLWCCUEQTIIH-ALOPSCKCSA-N 316.445 3.221 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)c1ccccc1F)CC2 5323153 GNNPMLJVWCTFRX-UHFFFAOYSA-N 315.344 3.041 0 40 DGAB ClC(Cl)(Cl)[C@H]1CCO[C@H]1n1nnc2ccccc21 5822713 AZWFGWXLPYOQGI-OIBJUYFYSA-N 306.580 3.337 0 40 DGAB CCOC(=O)[C@@H](CC(=O)O)C(c1ccccc1)c1ccccc1 5830745 YWNUBNVUDLXUJP-INIZCTEOSA-N 312.365 3.473 0 40 DGAB Cc1ccccc1-c1noc(COC(=O)/C=C/c2ccco2)n1 6012175 ZKSXWIIJGAUYPE-CMDGGOBGSA-N 310.309 3.395 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2O)C1=O 6394491 XTSAAJVTMVDWSH-KWINOFQJSA-N 307.371 3.236 0 40 DGAB CCCOC(=O)c1ccc(NC(=O)Cc2csc(C)n2)cc1 6767555 FTBFUTSVBRFVKE-UHFFFAOYSA-N 318.398 3.200 0 40 DGAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2N2CCOCC2)o1 6912639 NLZPLDKPCABVKA-UHFFFAOYSA-N 320.776 3.330 0 40 DGAB CCn1c(S[C@H](C(N)=O)c2ccccc2)nc2ccccc21 8719710 ODLBJCXKCCFJTQ-HNNXBMFYSA-N 311.410 3.375 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCCOC2)c2cccc(Cl)c2n1 12194424 IGQAPRBUJHDMTH-LLVKDONJSA-N 304.777 3.105 0 40 DGAB CNc1ncc(CN2CCC(CCc3ccccc3)CC2)cn1 12240924 SYQGRVIBJVEWMS-UHFFFAOYSA-N 310.445 3.363 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCc1ccc2c(c1)OCCO2 14181556 GLAKTBAQXTWQFJ-UHFFFAOYSA-N 315.344 3.477 0 40 DGAB CCc1c(C)sc(NC(=O)Cc2ccccc2C)c1C(N)=O 14562256 LZOJAFNGAQNRDB-UHFFFAOYSA-N 316.426 3.207 0 40 DGAB CCOC(=O)C1=C(C)N(CC)C(=O)N[C@@H]1c1cc(C)ccc1C 15016918 BKNNDDXGKVUXBZ-MRXNPFEDSA-N 316.401 3.227 0 40 DGAB Cc1nn(Cc2ccc(Cl)nc2)c2nc3ccccc3nc12 16266478 PDYOLJAWDZEWHH-UHFFFAOYSA-N 309.760 3.385 0 40 DGAB CC(=O)c1c(O)cc(C)n(-c2ccc(Cl)c(Cl)c2)c1=O 16769440 LIXCIZBAVMYPJU-UHFFFAOYSA-N 312.152 3.361 0 40 DGAB Cn1cnnc1SCC(=O)c1ccc2c(c1)Cc1ccccc1-2 19854813 NZMNZWIXVFAQEN-UHFFFAOYSA-N 321.405 3.361 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2ccccc2OC)cc1 21596400 ISAQKPOEDHCIQO-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB Cc1ccccc1-c1noc(-c2ccccc2OCC(=O)O)n1 22119834 WXTTYTQYZQSWJN-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB CC[C@H](Oc1cc(C)ccc1C)C(=O)NCCCN1CCCC1 22518034 NRNOHBAAIHDXKG-KRWDZBQOSA-N 318.461 3.063 0 40 DGAB Cc1ccc(CC(=O)NC[C@@H](c2cccs2)N(C)C)cc1 24987156 RZVUSHGMHFYZSA-HNNXBMFYSA-N 302.443 3.018 0 40 DGAB CC(C)Oc1ccc(CCNC(=O)/C=C/c2cccnc2)cc1 25891336 KJEAVESPEAAUOC-JXMROGBWSA-N 310.397 3.241 0 40 DGAB CCn1nc(C)c2c(C(=O)Nc3ncc(C)s3)cc(C)nc21 28222253 PGTYSBJFNPCCKA-UHFFFAOYSA-N 315.402 3.085 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)cc1C 28224146 OODHHJVHTBUJBI-NSHDSACASA-N 322.206 3.462 0 40 DGAB CC[C@@H]1CN(C(=O)c2sc(-c3ccsc3)nc2C)CCO1 30853575 IDCHQFVMUUDQQG-GFCCVEGCSA-N 322.455 3.431 0 40 DGAB CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1Cl 32601769 ICTLQWIHYUNUIN-UHFFFAOYSA-N 302.610 3.335 0 40 DGAB COC(=O)CCCCCCNC(=O)c1ccc2ncsc2c1 32900477 GUQHCRJMGLOZTR-UHFFFAOYSA-N 320.414 3.150 0 40 DGAB COCc1cccc(CNC(=O)[C@]2(C)CC2(Cl)Cl)c1 36395816 RIRVQZBBNHGFAU-ZDUSSCGKSA-N 302.201 3.033 0 40 DGAB C[C@H](NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O)c1ccccc1F 36684707 QEMDEGNGVRCZAZ-ICIURTGMSA-N 303.377 3.398 0 40 DGAB O=C(c1ccco1)N1CCC(c2nnc(C3CC3)s2)CC1 38666594 DNVUJGBCGJSKAH-UHFFFAOYSA-N 303.387 3.028 0 40 DGAB COc1ccccc1CN(C)C(=O)[C@@H](C)Oc1cccc(C)c1 38753094 NAPCJQWHCMCBDO-OAHLLOKOSA-N 313.397 3.430 0 40 DGAB CC[C@H](c1ccccc1)N1Cc2nc(N3CCCC3)ncc2C1=O 41123051 DDCBLYNYIMKJRQ-QGZVFWFLSA-N 322.412 3.184 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)C(=O)NC1CCCCC1 42646518 GPFZRBYVQYYTAK-UHFFFAOYSA-N 302.418 3.372 0 40 DGAB COCCNC(=O)N1CCCC[C@H]1c1nc2ccccc2s1 42842664 TXNAPZMOSVQJEN-ZDUSSCGKSA-N 319.430 3.179 0 40 DGAB COCc1ccccc1CNC(=O)Nc1cc(F)ccc1F 44935523 MKLHJOJKXHBTKR-UHFFFAOYSA-N 306.312 3.433 0 40 DGAB C[C@@H](NCc1ccc(OCc2nccn2C)cc1)c1cccnc1 48683238 INLACHUSXPCIKR-OAHLLOKOSA-N 322.412 3.245 0 40 DGAB CN(C)c1ccc(NC(=O)c2cc(-c3cccs3)[nH]n2)cc1 51315660 PGEORCOVDWTWNM-UHFFFAOYSA-N 312.398 3.457 0 40 DGAB C[C@H](Nc1ncnc2c1cnn2C)c1cccc(OC(F)F)c1 52218165 WNHIDLPAWSNOQJ-VIFPVBQESA-N 319.315 3.138 0 40 DGAB Cc1cc(C)c(CNC(=O)c2cc(=O)c3ccccc3[nH]2)c(C)c1 53456764 BOYVNLYFELJMLE-UHFFFAOYSA-N 320.392 3.383 0 40 DGAB COc1ccc(CCNc2nc(C)nc3sccc23)cc1O 55576126 RCJLRFVBAPVARX-UHFFFAOYSA-N 315.398 3.369 0 40 DGAB CCc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)cc1 58179699 SLPWWJUMIKZMLF-UHFFFAOYSA-N 323.440 3.385 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2Sc2nccn2C)no1 58365594 KBAKTMGLDUWOLQ-UHFFFAOYSA-N 314.370 3.120 0 40 DGAB CC(C)(C)c1ncc(CN[C@@H]2c3ccccc3C[C@@H]2O)s1 65274874 QMLMXCHPWTYHFD-LSDHHAIUSA-N 302.443 3.189 0 40 DGAB C[C@@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccc(F)cc1 65522252 WUWKEGSSEPWYBO-BZNIZROVSA-N 320.339 3.059 0 40 DGAB CC1(C)CN(C(=O)c2ccc(Oc3cccnc3)cc2)CCO1 65588698 VXPBMQUTZSQTID-UHFFFAOYSA-N 312.369 3.125 0 40 DGAB CCc1[nH]ncc1C(=O)N[C@@H](C)c1ccccc1C(F)(F)F 65874634 RUCKZORKYAFQSJ-VIFPVBQESA-N 311.307 3.482 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2c2cccc3c2OCCO3)cn1 66770809 SOSPNELFWHCYMQ-INIZCTEOSA-N 324.380 3.139 0 40 DGAB CC(C)(C)c1nc(CNC(=O)c2ccc3[nH]cnc3c2)cs1 69328064 JRTMSVZIUOLNLQ-UHFFFAOYSA-N 314.414 3.247 0 40 DGAB CCCN1CCC[C@@H]1C(=O)Nc1cc(F)cc(N2CCCC2)c1 69527574 UHFWOXOCVDFNNR-QGZVFWFLSA-N 319.424 3.239 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@H](n2ccnc2C)C1 69894507 RXZRHFVJCHNTPW-AWEZNQCLSA-N 316.405 3.089 0 40 DGAB COc1ccccc1CC(C)(C)NC(=O)Cc1csc(C)n1 71847662 TYFKERPZWGGKDN-UHFFFAOYSA-N 318.442 3.140 0 40 DGAB Cc1ccccc1C[S@](=O)CC(=O)Nc1ccc(F)cc1F 71858837 RIGWCOVMKNTGST-JOCHJYFZSA-N 323.364 3.161 0 40 DGAB CCOc1ccccc1-c1nc(CN2CCCC2=O)c(C)o1 72329959 DNCNRAVBHXSTQP-UHFFFAOYSA-N 300.358 3.171 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2Cc2ccn(C(C)C)n2)no1 76016843 ZHCJBIYNAURXIE-AWEZNQCLSA-N 303.410 3.308 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)CC[C@@H]2CCCO2)[C@H](C)CO1 76041107 RBYFDCRDLQLTHZ-RYRKJORJSA-N 317.429 3.243 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H](C)c3ccsc3)C2)n[nH]1 76060085 QMHIEHHEXVZYDT-QWHCGFSZSA-N 303.431 3.289 0 40 DGAB O=C(NC[C@@H](O)c1ccsc1)C1(c2ccccc2)CCC1 79019733 QHVHRIZLJGYXGF-OAHLLOKOSA-N 301.411 3.020 0 40 DGAB OCC1(COc2ccc(Cl)cc2Cc2ccccc2)COC1 79094659 TWMUJMSSAGOAPM-UHFFFAOYSA-N 318.800 3.319 0 40 DGAB O=C(CCCc1ccc(F)c(F)c1)NCc1cccc(CO)c1 89774556 VYSXQMXZAPTAGG-UHFFFAOYSA-N 319.351 3.096 0 40 DGAB O=C(NCC[C@H](O)c1ccoc1)c1cccc(C(F)(F)F)c1 90612918 VLDYFWBAKDMSTL-ZDUSSCGKSA-N 313.275 3.152 0 40 DGAB COc1ccc([C@@H](C)NC[C@](C)(O)c2ccc(C)o2)cc1F 95423191 BHDWSRDIUFGQGF-PXAZEXFGSA-N 307.365 3.294 0 40 DGAB CCc1onc(C)c1NC(=O)[C@@H](c1ccccc1)N(C)CC 95460634 RZUXLOQJXTURNR-MRXNPFEDSA-N 301.390 3.177 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@@H]2C[C@H](O)c2ccco2)c1 95973183 PLOWNNUOBVLJHY-CVEARBPZSA-N 316.401 3.127 0 40 DGAB CCOC[C@H]1CCN(C(=O)N[C@@H]2CCCc3cc(F)ccc32)C1 95980877 YHNPYLGPZNAWJK-SUMWQHHRSA-N 320.408 3.271 0 40 DGAB O=C(NCCCn1ccc2cccnc21)c1ccc(F)c(F)c1 96353347 HHJXKWVYXMBKDU-UHFFFAOYSA-N 315.323 3.135 0 40 DGAB O=C(NCc1cn2ccsc2n1)N1CCC2(CCCC2)CC1 96416066 ULGSEWYISDOJSZ-UHFFFAOYSA-N 318.446 3.262 0 40 DGAB Cc1ccc2cccc(C(=O)NC[C@@H]3CCN(C(C)C)C3)c2n1 96420710 AJMNELWDCVNSFE-HNNXBMFYSA-N 311.429 3.003 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@@H]1CCC[C@H]1O 96435322 MCFYNBZXAPVFTI-WMLDXEAASA-N 320.433 3.203 0 40 DGAB C[C@@H]1CCc2c(F)cccc2[C@@H]1NCc1ccc(C(N)=O)cc1 96456811 MTAGOELAQZZPDT-KZULUSFZSA-N 312.388 3.338 0 40 DGAB Cc1cc(-c2csc(CS(C)(=O)=O)n2)c(Cl)cc1F 96471484 KWUASLNKRDRFER-UHFFFAOYSA-N 319.810 3.456 0 40 DGAB C[C@@H](CO)N(C)C(=O)Nc1cccc(-c2c(F)cccc2F)c1 96499577 XJZCRWCZCRAWDF-NSHDSACASA-N 320.339 3.476 0 40 DGAB O=C(O)CCc1ccc(OCc2noc(-c3ccccc3)n2)cc1 97166004 BCRQKJRLDYPHSM-UHFFFAOYSA-N 324.336 3.333 0 40 DGAB CCCn1/c(=N/C(=O)C2CC2)sc2c(C)ccc(OC)c21 101061490 LTMWYNGJHJMOBM-MSUUIHNZSA-N 304.415 3.267 0 40 DGAB C[C@@H]1CC[C@@H](OC(=O)CCC(=O)Nc2nccs2)C[C@H]1C 103009265 QOTJCLZJYOZYKD-IJLUTSLNSA-N 310.419 3.230 0 40 DGAB CO[C@@]1(C)O[C@@]2(C)c3ccccc3C(=O)[C@]2(c2ccccc2)O1 104272078 GGVQPBKXWZTTJW-FHWLQOOXSA-N 310.349 3.361 0 40 DGAB C[C@@H]1CCCN(S(=O)(=O)N[C@H](C)c2cc3ccccc3o2)C1 105774052 UZPWFZXHYBVLCY-CHWSQXEVSA-N 322.430 3.060 0 40 DGAB COc1ccccc1[C@@H]1CCN(C(=O)Cc2ccccc2F)C1 153112941 GCWSGIASPQOXFB-OAHLLOKOSA-N 313.372 3.393 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccn(C(C)C)c1 222771995 GWZBXWCOEGKAMM-JKSUJKDBSA-N 314.458 3.456 0 40 DGAB CCOc1ccc(CNC(=O)COc2ccc(C)cc2C)cc1 222827179 GEHPIVWVUYRMRL-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CCOc1ccc(C[C@@H](Oc2cccc(OC)c2)C(=O)O)cc1 225107631 BLTWOODGSYYZTQ-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB CCCCNC(=O)C(C)(C)Oc1nn(-c2ccccc2)cc1C 227151211 LCRQLCAUVIWWDK-UHFFFAOYSA-N 315.417 3.254 0 40 DGAB CC1(C)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]12)[C@@](O)(CO)C3 247999285 CNEAFYADRZPYEP-WXTOSUBFSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro O=C(c1cc2c(s1)CCC2)N1CCC[C@H](c2cnccn2)C1 257208101 BKTJWLCVTCQVML-ZDUSSCGKSA-N 313.426 3.047 0 40 DGAB CC(C)c1nccc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1 546635235 JSNZRGDEQJJCMQ-AWEZNQCLSA-N 317.355 3.130 0 40 DGAB CN1C(=O)CC[C@]12CCCN(Cc1ccc3c(c1)CCC3)CC2 585100642 RKOWQUCUQMNJBB-FQEVSTJZSA-N 312.457 3.152 0 40 DGAB OC1(Cc2c(Cl)cccc2Br)CCOCC1 1083806954 FEUYPGNOVWNACC-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB Clc1nsc(Br)c1I 1505839843 IXILZDUZKVQBID-UHFFFAOYSA-N 324.368 3.164 0 40 DGAB Cc1cc(OC[C@H]2CCCN(C[C@@H]3CCCCO3)C2)ccn1 1888842706 WJMWPAZTLACBKL-WMZOPIPTSA-N 304.434 3.050 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)[C@H]3CC=CCC3)s2)cn1 1889103535 GNZSJSBVCUHEBL-ZDUSSCGKSA-N 315.442 3.164 0 40 DGAB CCOC(=O)c1csc(NC(=O)Nc2ccc(C)cc2)n1 179394 SSHGDFKFKNGWQY-UHFFFAOYSA-N 305.359 3.272 0 40 DGAB CCOc1cccc2cc(C(=O)Nc3ccccc3)c(=O)oc12 180534 HLKKKBJIKIKHKZ-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB O=C(Nc1nc2ccccc2n1Cc1ccccc1)C(F)F 296131 PCKJOTOTRPIMDH-UHFFFAOYSA-N 301.296 3.288 0 40 DGAB CCOC(=O)[C@]12C(=O)Oc3ccccc3[C@@H]1C(C)(C)C2(C)C 339674 PLNNXAVEFSXDEX-ACJLOTCBSA-N 302.370 3.305 0 40 DGAB O=C(OCC(Cl)(Cl)Cl)c1cc(=O)c2ccccc2o1 480309 LAVJPCQVLWLKNW-UHFFFAOYSA-N 321.543 3.320 0 40 DGAB COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@@H](C)C3)CC2)c1 783082 IPVDLPHKSIXDEZ-NVXWUHKLSA-N 316.445 3.032 0 40 DGAB COc1ccc(CCNC(=S)c2ccc(N(C)C)cc2)cc1 1443843 IIKCVDDOUDVSRE-UHFFFAOYSA-N 314.454 3.269 0 40 DGAB CC(C)[C@@](O)(C(=O)O/C=C1\CC2CCN1CC2)c1ccccc1 1641849 QFEXWEJQBDXMOT-UMEYKSNOSA-N 315.413 3.031 0 40 DGAB Cc1ccc(OCCCC(=O)Nc2nnc(C)s2)c(C)c1 1914024 RJOOBHYMLMKFFQ-UHFFFAOYSA-N 305.403 3.261 0 40 DGAB O=c1[nH]c2c(oc3ccc(Cl)cc32)c(=O)n1-c1ccccc1 2602004 QXVJUQIDFNGBIP-UHFFFAOYSA-N 312.712 3.079 0 40 DGAB COc1ccc(COC(=O)Nc2ccc(OC)c(OC)c2)cc1 3147908 YOJFECODDCGBLH-UHFFFAOYSA-N 317.341 3.461 0 40 DGAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C)ccc1C 3329318 XYDXUFUNKMAJBE-LJQANCHMSA-N 322.408 3.215 0 40 DGAB Cc1cccc(Nc2nnc(Cc3ccc(F)cc3)c(=O)[nH]2)c1C 5154372 GSWSQFSGGQCRDL-UHFFFAOYSA-N 324.359 3.255 0 40 DGAB O=c1c2cnn(-c3ccc(F)cc3)c2ncn1C1CCCCC1 6661237 POFHDIDJZKSEBP-UHFFFAOYSA-N 312.348 3.227 0 40 DGAB CN(C)C(=O)[C@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 6847650 FBXMVUFKRUBLIR-QGZVFWFLSA-N 322.364 3.154 0 40 DGAB CCNC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 6882359 MDUZWLIHBUKMLZ-UHFFFAOYSA-N 308.385 3.429 0 40 DGAB COCCNC(=S)Nc1ccc(Nc2ccccc2)cc1 7518649 HGPNSYNYWKJBNS-UHFFFAOYSA-N 301.415 3.363 0 40 DGAB CCCCCNC(=O)[C@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 8218279 JRIDMXOBBVANSY-ZDUSSCGKSA-N 322.836 3.308 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)NCCc1ccco1 8727460 YMWSUMFEPSGDDB-UHFFFAOYSA-N 308.381 3.346 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)OC(=O)c2ccc(C(C)C)cc2)no1 8777622 OKBUFCYATOZTAK-GFCCVEGCSA-N 316.357 3.290 0 40 DGAB CCOc1nn(CC)cc1C(=O)Nc1ccc(F)c(Cl)c1 9070447 NKHPIKUARYMDSQ-UHFFFAOYSA-N 311.744 3.347 0 40 DGAB Cc1ccc(-c2n[nH]cc2[C@H]2Nc3ccccc3C(=O)N2C)o1 11035785 NJZPGBDNANVNCQ-INIZCTEOSA-N 308.341 3.174 0 40 DGAB Cc1ccc(-c2nc(N3CCCC3)ncc2-c2cnccn2)o1 12186309 ZFSRMAPAQNLARX-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB O=C(N[C@@H]1CC2(CCOCC2)Oc2ccccc21)c1ccco1 12337404 QCGSALSNQHVNFY-CQSZACIVSA-N 313.353 3.082 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)c1ccc2[nH]cnc2c1 12530683 CEIMHAXJCQBKGQ-LBPRGKRZSA-N 309.369 3.371 0 40 DGAB COc1ccc(CN(C(=O)c2cc(C(C)=O)c[nH]2)C2CC2)cc1 12599137 HTDDGIMZVWJMDG-UHFFFAOYSA-N 312.369 3.031 0 40 DGAB Cc1cc(C)c2[nH]c(=O)c(CNCCc3ccccc3)cc2c1 13566543 JOBHRVZYHWKVOE-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB CCN1CCN(C(=O)c2ccccc2OCc2ccccc2)CC1 13687257 FPPGASREPGPIAB-UHFFFAOYSA-N 324.424 3.043 0 40 DGAB CN1CCn2c(nc3cc(NC(=O)C4CCCCC4)ccc32)C1 13731753 IUEHDOVDMJIDJL-UHFFFAOYSA-N 312.417 3.001 0 40 DGAB C[C@H]1CCCCN1C(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 14085676 QUOKKMDKZUKMGY-NEPJUHHUSA-N 319.376 3.295 0 40 DGAB Cc1nc2cc(NC(=O)c3cc(Br)c[nH]3)ccc2o1 14236371 XDQKGSMPDQWEHV-UHFFFAOYSA-N 320.146 3.479 0 40 DGAB Nc1ccccc1C(=O)OCC(=O)c1cccc2ccccc12 16526233 UCGOZHXWXPGCSY-UHFFFAOYSA-N 305.333 3.462 0 40 DGAB Cc1csc2c([C@H]3CCCN(C(=O)C4CC4)C3)nc(C)n12 19240387 ZLXQNFPBVZQEQZ-ZDUSSCGKSA-N 303.431 3.129 0 40 DGAB CCOC(=O)CCC(=O)NC(c1ccccc1)c1ccccc1 19679663 RIEGFWFMBZQJQM-UHFFFAOYSA-N 311.381 3.236 0 40 DGAB O=C(Nc1ccc(Cl)c(C(=O)O)c1)c1ccc2c(c1)OCO2 20140701 HLEUXGISMWQBFV-UHFFFAOYSA-N 319.700 3.019 0 40 DGAB CCOCCCNC(=O)c1ccc(CN2CCC[C@@H](C)C2)cc1 20493040 BFQNIOXUKSTTLD-MRXNPFEDSA-N 318.461 3.075 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)Nc2nnc(C3CC3)s2)cc1 20914596 BETKXKHXQVROGX-SNVBAGLBSA-N 303.387 3.130 0 40 DGAB COc1ccc(CC(=O)N2CCc3sccc3C2)cc1F 22597621 NNBQMAWZLOMBHQ-UHFFFAOYSA-N 305.374 3.023 0 40 DGAB CC(C)Cn1nnnc1SCCCC(=O)c1ccc(F)cc1 24831493 LXTXENBEAXGDSW-UHFFFAOYSA-N 322.409 3.223 0 40 DGAB CC[C@@H](CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1 28343013 CDDVCEFXDYCSEQ-KRWDZBQOSA-N 324.424 3.246 0 40 DGAB CN(Cc1nc(C2CC2)no1)Cc1nc2ccccc2s1 29429529 WUGRTAJHTUIQLV-UHFFFAOYSA-N 300.387 3.189 0 40 DGAB COc1ccc([C@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 30854421 SNYCILBQYONGJN-QWHCGFSZSA-N 317.360 3.479 0 40 DGAB Cc1cccc2c1NC(=O)[C@]21CC(O)=Nc2c1cnn2C(C)(C)C 32102538 HXLLFTYYWBMLJV-GOSISDBHSA-N 324.384 3.176 0 40 DGAB COCc1ccc(C(=O)NC[C@@H](C)N(C)c2ccccc2)cc1 32931199 CJYVGDMWOWIKLP-OAHLLOKOSA-N 312.413 3.088 0 40 DGAB NC(=O)c1ccc(Oc2ncnc3c2oc2ccccc23)cc1 33010778 ASAWBQKJSCTZLN-UHFFFAOYSA-N 305.293 3.267 0 40 DGAB CNC(=O)N1CCCCCN=C1c1ccc(Br)cc1 35682870 PZGXECUBMZPMAT-UHFFFAOYSA-N 324.222 3.021 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 36640992 CXCIIOFKOZCDSR-UMNHJUIQSA-N 317.355 3.276 0 40 DGAB O=C(NC1CCC(C(=O)O)CC1)c1c(Cl)cccc1Cl 37561256 ZABSXDOTOJXEIV-UHFFFAOYSA-N 316.184 3.367 0 40 DGAB O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1cccc(F)c1 38580537 LIGYJYQYGUIKOE-OAHLLOKOSA-N 317.316 3.268 0 40 DGAB O=C(Cc1ccc(NC(=O)Oc2ccccc2)cc1)NC1CC1 38678380 WPTRNKGJNWQTOP-UHFFFAOYSA-N 310.353 3.119 0 40 DGAB CN(Cc1ccc(-c2ccccc2)cc1)Cc1nnnn1C1CC1 40091294 HKHHHLRFKQIBAL-UHFFFAOYSA-N 319.412 3.307 0 40 DGAB COC(=O)[C@H](C)NC(=O)c1ccc(-c2ccccc2Cl)s1 40284155 ZWWGQTAGENOUAV-VIFPVBQESA-N 323.801 3.360 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)[C@H]2COc3ccccc3O2)cc1 42161863 HXIPQTIRBHIGSZ-FZKQIMNGSA-N 311.381 3.266 0 40 DGAB CCC(=O)N1CCc2cc(C(=O)N3CCCCCCC3)ccc21 44820485 COOMTIRSJRIJOI-UHFFFAOYSA-N 314.429 3.392 0 40 DGAB Cc1ccncc1C(=O)c1cccc(I)c1 45029003 GDBDFDCLZPPMNN-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB Cc1cc(-c2cc(C(=O)O)nn2-c2cccc(Cl)c2)no1 45929804 OFXCGJQUXXTGBN-UHFFFAOYSA-N 303.705 3.187 0 40 DGAB O=C(Nc1ccc(F)cc1)Nc1cccc(Cn2cncn2)c1 47274941 BAFYGRYKMIUSDQ-UHFFFAOYSA-N 311.320 3.110 0 40 DGAB Cc1nc(-c2ccc(CN(C)Cc3ccoc3)cc2)[nH]c(=O)c1C 48307210 NFKYFICFIGYSJU-UHFFFAOYSA-N 323.396 3.279 0 40 DGAB Cc1cc(NC(=O)Nc2ccc(OC[C@@H]3CCCO3)cc2)no1 48354284 TWFVUOQDTGSMEW-AWEZNQCLSA-N 317.345 3.185 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 49305329 ZNCULHIAOWFQJV-MRVPVSSYSA-N 319.279 3.100 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@H](C)Cc1c(F)cccc1F 54575298 JBNDYCLVFVKFHQ-SNVBAGLBSA-N 322.355 3.250 0 40 DGAB Cc1nc(CCNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cs1 56359742 YAOUPTDKJAUQEJ-NEPJUHHUSA-N 320.380 3.479 0 40 DGAB CCOc1cccc(-c2nc3cc(-n4cnnc4)ccc3o2)c1 57326863 YYDZEUUKZFHZBQ-UHFFFAOYSA-N 306.325 3.474 0 40 DGAB C[C@@H](NC[C@H]1CNc2ccnn2C1)c1ccc(F)c(Cl)c1 58315923 IHHCAAIKXOCMNA-MNOVXSKESA-N 308.788 3.068 0 40 DGAB Cc1ccsc1C(=O)N(C)C1CCN(c2ccccn2)CC1 58327806 ACJGSXCNPYWFAQ-UHFFFAOYSA-N 315.442 3.193 0 40 DGAB O=C(O)c1[nH]c2cccc(Cl)c2c1I 62709374 PAQBSOBNWNSDCH-UHFFFAOYSA-N 321.501 3.124 0 40 DGAB CC[C@H](C)N(C)CCNC(=O)CCc1nc2ccccc2s1 66137521 CMRLXLRBHXLWAK-ZDUSSCGKSA-N 319.474 3.075 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COc2ccccc2N)CC1 67800901 DXCNEFPTRTVCEQ-UHFFFAOYSA-N 306.406 3.295 0 40 DGAB CCn1cc(NC(=O)N[C@H](c2ccccc2)C2CC2)ccc1=O 68597207 BNDAHMLHEHATIE-QGZVFWFLSA-N 311.385 3.141 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccccc2-c2nncn2C)c1 68727217 HXDNXRIBJJSCQD-UHFFFAOYSA-N 306.369 3.351 0 40 DGAB CCC(=O)Nc1cccc(NC(=O)NCCOCCC(C)C)c1 69413798 BFZSAXPUWWYPQT-UHFFFAOYSA-N 321.421 3.219 0 40 DGAB COc1cccc(SCC(=O)N[C@@H](C)c2cccnc2)c1 69925361 KVJGCKCZNLEMAT-LBPRGKRZSA-N 302.399 3.060 0 40 DGAB Cc1[nH]c2ccc(CNC(=O)N(C)C[C@H]3CCCO3)cc2c1C 71796088 KTEVYTLOOYTCPR-OAHLLOKOSA-N 315.417 3.105 0 40 DGAB CCCc1noc(CNc2cc(NC(C)=O)ccc2Cl)n1 71896907 ZPTNMJKLMQQIKR-UHFFFAOYSA-N 308.769 3.246 0 40 DGAB Cc1cc(NC(=O)[C@@H]2C[C@H]2c2ccccc2C(F)(F)F)[nH]n1 71962777 ZBLRJWPUGUNTCN-WDEREUQCSA-N 309.291 3.479 0 40 DGAB Cc1[nH]c(=O)ccc1[C@H]1CCCN1C(=O)OCc1ccccc1 72218196 IJWDEHSFXNTAGU-MRXNPFEDSA-N 312.369 3.157 0 40 DGAB CC(C)(C)[S@](=O)CCNCc1ccccc1C(F)(F)F 72286935 XASFSLMPZSFPHD-FQEVSTJZSA-N 307.381 3.342 0 40 DGAB CC(C)N1CCC[C@H](c2nccnc2Nc2nccs2)C1 72364728 GRRZYFMLRPBDII-LBPRGKRZSA-N 303.435 3.265 0 40 DGAB Cc1nnc(COC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)o1 84291562 PZGYKMTZZXWKAC-UHFFFAOYSA-N 311.341 3.095 0 40 DGAB Cc1cc(NC(=O)c2cccnc2SC(F)F)sn1 89608930 DEJUVBGTFALQDP-UHFFFAOYSA-N 301.343 3.414 0 40 DGAB C[C@@H]1C[C@H](NC(=O)CCC(F)(F)F)CN1Cc1ccccc1 89920325 JRDBICHPJLHHPH-OCCSQVGLSA-N 314.351 3.108 0 40 DGAB CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)c1ccncc1Cl 89967558 RZCQVAQXJBLDHL-MRXNPFEDSA-N 318.804 3.239 0 40 DGAB Cc1ccc(N2CCN([C@@H](C(=O)O)c3ccccc3)CC2)cc1C 91690121 FKFNZUCBOXRSDN-LJQANCHMSA-N 324.424 3.251 0 40 DGAB CC(C(=O)N(CCN(C)C)Cc1cccc(O)c1)=C1CCCC1 95445867 DBMKDRIIFIKDTE-UHFFFAOYSA-N 316.445 3.173 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C[C@H]2CCOCO2)c1 95963829 IUGVFFLPSQACGU-LJQANCHMSA-N 312.413 3.155 0 40 DGAB OCC1CCN(c2ccccc2NC2CCSCC2)CC1 95995857 CKCVLNRIKIMCCX-UHFFFAOYSA-N 306.475 3.203 0 40 DGAB CC[C@@H]1N(Cc2ccc(OC)cc2)CCC[C@]12CCC(=O)N2C 96052419 OKVUEGFWSLZMCD-HKUYNNGSSA-N 316.445 3.061 0 40 DGAB C[C@H]1SCCN(C(=O)c2cccc(NC(=O)C3CC3)c2)[C@@H]1C 96411127 FNSHBKZRUSJKJO-VXGBXAGGSA-N 318.442 3.001 0 40 DGAB COc1ccc(C2CCN([C@@H](C)c3nnc(C)o3)CC2)cc1 96444348 BXKCEKGFQPNUOA-LBPRGKRZSA-N 301.390 3.327 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 96451422 BAKVSYRIUWYHGH-HOTGVXAUSA-N 320.458 3.439 0 40 DGAB CC/C=C(\C)C(=O)N1CCC[C@H](c2nnc3n2CCCCC3)C1 98054731 WSDTWCJYZPDCAE-NHXNDTTKSA-N 316.449 3.067 0 40 DGAB Cc1noc(C)c1C(=O)NCc1cncc(-c2ccsc2)c1 206946641 UQJSFTDNEMWSDT-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB COc1ccc(NC(=S)NCc2cccc(C)c2)c(OC)c1 225426249 FUJQAHQNGMUEKA-UHFFFAOYSA-N 316.426 3.499 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1ccc(F)cc1F 225597267 SNTPIKGMCUGGLJ-NSHDSACASA-N 317.335 3.261 0 40 DGAB Cc1ccc(NC(=S)NCCOc2ccccc2Cl)nc1 225780873 PNQULPGTQJTLMC-UHFFFAOYSA-N 321.833 3.409 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(N)cc2C)cc1C 226238378 UAFLEQWXFMJLFR-UHFFFAOYSA-N 313.426 3.321 0 40 DGAB CCn1nc(C)c(NC(=O)c2cn(-c3ccc(C)cc3)cn2)c1C 226754294 QWOLAQLKKJHWLN-UHFFFAOYSA-N 323.400 3.266 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC(c2cnccn2)CC1 257224828 FDOMIKXMHIIFBM-UHFFFAOYSA-N 321.424 3.375 0 40 DGAB Cn1cncc1-c1cccc([C@H]2CCCN2c2ccccn2)n1 257328147 XEIYRKNXNAZCJW-MRXNPFEDSA-N 305.385 3.219 0 40 DGAB Brc1cncc([C@@H](NCc2ccccn2)C2CC2)c1 283824996 DIHKUBDJVLTKAM-HNNXBMFYSA-N 318.218 3.480 0 40 DGAB CC(C)COCc1c(Br)cnn1CC(F)(F)F 408715731 CYXBWAPEPDXQAC-UHFFFAOYSA-N 315.133 3.381 0 40 DGAB CC(C)N1[C@H]2CC[C@H]1CN(C(=O)[C@@H]1C[C@H]1c1ccsc1)CC2 528733363 UWFKCYRBSPLDDQ-LUKYLMHMSA-N 318.486 3.325 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccc(F)cc1)CC2 585102608 CAEJJRKMYFHADR-INIZCTEOSA-N 307.409 3.233 0 40 DGAB CC(C)CO[C@@H](C)C(=O)NCc1cccc(-c2cnco2)c1 585130086 HEAZZGMHRWUJMW-ZDUSSCGKSA-N 302.374 3.019 0 40 DGAB Cc1cnc(OC2CCN(Cc3cc(C)ccc3C)CC2)nc1 653799358 WNRKMXVXJXIHSB-UHFFFAOYSA-N 311.429 3.445 0 40 DGAB CNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CCCN1 953030392 RDIZYXCBABGNRZ-FQEVSTJZSA-N 308.425 3.073 0 40 DGAB CCc1ccc(NC(=S)NC(=O)c2cccc(OC)c2)cc1 361181 UGNNSZAZWCHQNZ-UHFFFAOYSA-N 314.410 3.384 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@@]21/C=C/c1cccs1 517275 UPHBKKIPTKMFFS-BBVFFXRHSA-N 310.422 3.385 0 40 DGAB biogenic O=C1CCCC(O)=C1[C@@H]1c2ccccc2O[C@@H]2CCCC(=O)[C@@H]12 1103255 FXSPXKAISVIGJI-ZIFCJYIRSA-N 312.365 3.466 0 40 DGAB CC(=O)c1ccc2c(c1NC(=O)c1ccc(C)cc1)OCCO2 1440191 PYUXOYSHMKVMPP-UHFFFAOYSA-N 311.337 3.221 0 40 DGAB COc1cc(OC)c2c(c1)Oc1cc(OC)cc(OC)c1C2 1581502 ZMZLPIYHNKRTEG-UHFFFAOYSA-N 302.326 3.418 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(OC)cc2)cc1 1987239 YVXXRQFFXMZULG-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CCCCC(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 2069521 YGYUBUHIOHIBLB-UHFFFAOYSA-N 305.403 3.266 0 40 DGAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1CCC[C@@H](C)C1 2779124 LFZDYCACTAEJRV-MRVPVSSYSA-N 305.756 3.041 0 40 DGAB CCn1nc(C)c(NC(=O)CCn2nc(C)c(Cl)c2C)c1C 2782571 LIDHEFWZPMOLCU-UHFFFAOYSA-N 323.828 3.015 0 40 DGAB O=C(CSc1ccccc1C(=O)O)NC1CCCCCC1 3223088 LRJYRHQWRBTLFJ-UHFFFAOYSA-N 307.415 3.316 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccccc1F 3384122 LBIMQRPPIOAEKJ-JTQLQIEISA-N 307.346 3.380 0 40 DGAB COc1ccccc1-c1nnc(SCC(=O)C(C)(C)C)n1C 5131056 VQTWXRLGIROXGN-UHFFFAOYSA-N 319.430 3.198 0 40 DGAB CC[C@@H](NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O)c1ccc(C)cc1 6168555 QTSNAOXHHDBVOD-HRCADAONSA-N 301.386 3.229 0 40 DGAB O=C(Nc1cccc(Br)c1)[C@H]1CC=CC[C@H]1C(=O)O 6330678 KABYKUULLJDORI-NWDGAFQWSA-N 324.174 3.055 0 40 DGAB CCOCCn1cnc2scc(-c3ccc(F)cc3)c2c1=O 7375547 JPLMYXBCAZBXIH-UHFFFAOYSA-N 318.373 3.301 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1cccc(Cl)c1 7405055 GQKUPJILOYHDFA-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2nc(-c3ccccc3)no2)cc1 7720195 GLJWUUOETNDFML-UHFFFAOYSA-N 307.353 3.317 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)NCc2ccccc2C)c1 8053255 HZWNWKPFHZVQEL-UHFFFAOYSA-N 312.369 3.493 0 40 DGAB O=C(Cn1ccccc1=O)Nc1ccccc1-c1ccccc1 8186336 DGPDQQMPUFGGFY-UHFFFAOYSA-N 304.349 3.154 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)CCC2CCCC2)cc1 8375634 OXKIJIFTNQPXTN-UHFFFAOYSA-N 302.418 3.362 0 40 DGAB CC[C@H](C)Cn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O 9481861 NWQQIAUMXVTPBN-VIFPVBQESA-N 308.403 3.122 0 40 DGAB Cc1cccc(C)c1NC(=O)COc1cccc2c1CCC2=O 10197621 SUWJYGDUQBOPNJ-UHFFFAOYSA-N 309.365 3.450 0 40 DGAB Cc1ccn2cc(C(=O)NCCCOC3CCCCC3)nc2c1 10737594 UDOVXJJWFCRHLF-UHFFFAOYSA-N 315.417 3.112 0 40 DGAB C[C@@H]1CCc2noc(NC(=O)COc3ccc(Cl)cc3)c2C1 11915726 OFEVMCPFNBJGSV-SNVBAGLBSA-N 320.776 3.470 0 40 DGAB CC(C)OC(=O)c1ccc2c(=O)n3c(nc2c1)CCCCCC3 12765980 IDBFFRAWGKDBTF-UHFFFAOYSA-N 314.385 3.078 0 40 DGAB O=C(O)Cc1csc(NC(=O)/C=C/c2cccc(Cl)c2)n1 13406192 GGWANJUONPDCPZ-SNAWJCMRSA-N 322.773 3.076 0 40 DGAB Cc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)cc1 13547576 HZYJUQGYIDHIOY-PTNGSMBKSA-N 300.427 3.385 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@H](C)Nc2ccc(F)cc2)c1 15461957 ZRHMEOGANMSSFK-NSHDSACASA-N 318.348 3.282 0 40 DGAB O=C(C1CCC1)N1CCC[C@@H]1c1nnc(-c2ccsc2)o1 19406749 JCJPHUQPUUFRGH-GFCCVEGCSA-N 303.387 3.262 0 40 DGAB CCCC(=O)N1CCCC[C@H]1c1nn(C)cc1-c1cc(C)no1 19501361 AGWRJFMROWRBRZ-AWEZNQCLSA-N 316.405 3.237 0 40 DGAB O=C(CCc1ccco1)OCc1nc(-c2ccc(F)cc2)no1 21099437 MKNGCSTYZXHJCT-UHFFFAOYSA-N 316.288 3.145 0 40 DGAB C[C@H]1CN(Cn2nc(-c3cccs3)oc2=S)C[C@H](C)O1 21318459 QRRDFPPVPLZBDE-UWVGGRQHSA-N 311.432 3.001 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(OC)c1 22530357 WQFKMTASFOZJAY-QGZVFWFLSA-N 315.369 3.500 0 40 DGAB CCCn1nccc1C(=O)N1CCC(Cc2ccccc2)CC1 28240909 JYIDFQXAEGBQHV-UHFFFAOYSA-N 311.429 3.388 0 40 DGAB CN1CCN(C(=O)c2cccc(Cl)c2)[C@@H](c2ccccc2)C1 30028978 ICTAGYGJNXRUEX-QGZVFWFLSA-N 314.816 3.469 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1c(C)noc1C)c1ccsc1 31988528 ANVLPPMLYLSJQU-AWEZNQCLSA-N 321.446 3.166 0 40 DGAB COc1ccc([C@H](C)Nc2nc(C)nc3c(C)nn(C)c23)cc1 32650627 GICCZLWTAGEBGP-JTQLQIEISA-N 311.389 3.162 0 40 DGAB Cc1ccc(NC(=O)c2ccc(C(N)=O)cc2)cc1C(F)(F)F 32859873 SGLACOTYOBRJBQ-UHFFFAOYSA-N 322.286 3.365 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(C(=O)NC2CC2)cc1 32869265 JXGOVRQHMLPUJI-UHFFFAOYSA-N 308.381 3.068 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C1 33185057 GXJYXYMBBVXDOQ-WCQYABFASA-N 319.430 3.426 0 40 DGAB Oc1nc2nnc(SCc3ccccc3)n2c2ccccc12 33373493 NGUQKDVUKCZPRO-UHFFFAOYSA-N 308.366 3.275 0 40 DGAB CCOC(=O)c1cnc2c(OC)cccc2c1N(CC)CC 34925904 VUNRGYQNYQVCHO-UHFFFAOYSA-N 302.374 3.266 0 40 DGAB O=C(O)[C@@H]1CCCN1Cc1ncc(-c2cccc(Cl)c2)o1 35302980 WCQHDDRJXDDEQE-LBPRGKRZSA-N 306.749 3.044 0 40 DGAB O=C(NCc1ccccc1F)N(Cc1cccc(O)c1)C1CC1 36398325 SERVYAQAXDZMSZ-UHFFFAOYSA-N 314.360 3.406 0 40 DGAB CSc1nnc(NC(=O)COc2ccc(C(C)C)cc2)s1 39989096 JYVOWBCRMDPSPN-UHFFFAOYSA-N 323.443 3.401 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 42534105 OOYMILUIKUTPMU-CQSZACIVSA-N 315.392 3.039 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2cc3c(s2)CCC3)c1 42670879 JPZFHRVKZMQHOQ-UHFFFAOYSA-N 314.410 3.239 0 40 DGAB CCCN(Cc1ccsc1)S(=O)(=O)c1ccccc1F 44447276 UFYWGVYAYWQMFH-UHFFFAOYSA-N 313.419 3.488 0 40 DGAB Cc1nc(C)c(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)s1 44869239 VSTGCLQDDXRNGF-VIFPVBQESA-N 300.387 3.127 0 40 DGAB O=C(C[C@H]1OC(=O)c2ccccc21)Nc1cnc2ccccc2c1 44896399 KDBCDTDDWRXACI-QGZVFWFLSA-N 318.332 3.475 0 40 DGAB O=C(NCCc1cn2ccccc2n1)N1CC[C@@H]1c1ccccc1 45425803 HSVMTEUKNHQGTN-QGZVFWFLSA-N 320.396 3.033 0 40 DGAB Nc1cc(Nc2ccc(Br)cc2)nc(C2CC2)n1 49467606 JSBCQJKZESNYQJ-UHFFFAOYSA-N 305.179 3.442 0 40 DGAB CC(C)N(C)C(=O)c1ccc(CNc2cncc(Cl)n2)cc1 53558975 XHMHFYYMAYAIFL-UHFFFAOYSA-N 318.808 3.223 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)c2c(C)noc2n1 54375457 VEIJEWDCLHFMOT-KBPBESRZSA-N 313.401 3.492 0 40 DGAB CCOc1ccc(-c2csc(NC(=O)[C@H]3CCOC3)n2)cc1 58355914 ITYYVSDBCQFGIO-LBPRGKRZSA-N 318.398 3.184 0 40 DGAB COc1ccccc1-c1ccccc1C(=O)NC[C@@H](C)N(C)C 58377635 NINMEURMFHMIFI-CQSZACIVSA-N 312.413 3.042 0 40 DGAB C[C@@H](CNC(=O)c1cc2ccccc2o1)CN1CCCCC1 58393568 GBKXGSILUMATFF-AWEZNQCLSA-N 300.402 3.285 0 40 DGAB Cc1nc(-c2ccccc2)sc1CSc1n[nH]c(N)n1 58434194 LRKFVTQXTMATQF-UHFFFAOYSA-N 303.416 3.111 0 40 DGAB COC(=O)c1ccc(NCc2nc(-c3ccco3)no2)c(C)c1 58438395 PICLJCCOGLDPIJ-UHFFFAOYSA-N 313.313 3.037 0 40 DGAB CCOc1cccc2c1OCC(=O)N(c1ccc(F)c(F)c1)C2 65184503 VTQAUGMCEZAWBU-UHFFFAOYSA-N 319.307 3.289 0 40 DGAB CCN(C(=O)CCc1ccc(OC)c(OC)c1)c1cccnc1 65530612 ZIZZCLIWGZILSH-UHFFFAOYSA-N 314.385 3.085 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1cc(F)cc(F)c1 68726722 XDGLSUKYJSKODI-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@H]3[C@@H]3CCCN3C)[nH]c2c1 69490167 HXIZDZJKZAOJEA-ROUUACIJSA-N 311.429 3.175 0 40 DGAB O=c1[nH]c(-c2csc(Br)c2)nc2ccccc12 69492766 XDBZOVBFANVQJR-UHFFFAOYSA-N 307.172 3.414 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCc1nc2c(s1)CCCC2 69655400 PSCCWYKKYCNQJP-UHFFFAOYSA-N 318.417 3.062 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNCc1cccc2c1OCO2 71821850 FNCILCHAQDXIGL-UHFFFAOYSA-N 321.808 3.215 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 71870772 KZOWZWYIHXEKDR-INIZCTEOSA-N 315.461 3.435 0 40 DGAB Cc1ccc(C2(C(=O)NCc3ccccc3)CCOCC2)cc1 72265208 OOKMXACJWAMHMM-UHFFFAOYSA-N 309.409 3.360 0 40 DGAB FC(F)(Br)[C@](F)(Cl)I 72265610 RAVFYHBLDJHLGL-UWTATZPHSA-N 323.277 3.271 0 40 DGAB Cc1ccccc1CC(=O)Nc1cccc(N2CCCNC2=O)c1 72300936 ZPWFRCBGFUXSSL-UHFFFAOYSA-N 323.396 3.096 0 40 DGAB Cc1cc(Br)c(S(=O)(=O)NCC(C)C)cc1C 72414530 BSAFLYVWYMSOMK-UHFFFAOYSA-N 320.252 3.000 0 40 DGAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-n2cccn2)cc1 75347575 KBHCMXBYTXMZHU-PBHICJAKSA-N 313.401 3.009 0 40 DGAB CCN1CCc2ccc(NC(=O)N(C)[C@H](C)CSC)cc21 77443338 PWIMKXYKWIRUGR-GFCCVEGCSA-N 307.463 3.284 0 40 DGAB CCc1nc(CNC(=O)N[C@@H](C)Cc2cccs2)cs1 78663429 NFEAEELRFVWSOR-JTQLQIEISA-N 309.460 3.197 0 40 DGAB CCc1ccc(C(=O)Nc2ccccc2N2CCOC2=O)o1 83825369 BVJQZPBFDPDOAA-UHFFFAOYSA-N 300.314 3.051 0 40 DGAB CN(C)c1ncccc1C(=O)NCc1ccc(-c2ccccc2)o1 83852401 RMHNJDMCRODNIX-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB Cc1cc(C)n(C[C@@H](C)NC(=O)CCn2ccc3ccccc32)n1 84102256 OGRDJRJTFLKRON-OAHLLOKOSA-N 324.428 3.050 0 40 DGAB Cc1oncc1NS(=O)(=O)c1ccc(C(C)(C)C)s1 89495125 QQLBJKUVAYKOFO-UHFFFAOYSA-N 300.405 3.143 0 40 DGAB COc1ccccc1CCNC(=O)CCCC[C@H](C)C(C)=O 89895377 VKULSDMRALMLJN-AWEZNQCLSA-N 305.418 3.139 0 40 DGAB O=C(O)CO[C@H](c1ccccc1Br)C(F)(F)F 95096410 MBXWFUFNSBRWCD-SECBINFHSA-N 313.069 3.154 0 40 DGAB O=C(NC1CCSCC1)[C@@H]1CCCCN1Cc1ccccc1 95400377 WHZDWOSBUIYWJM-KRWDZBQOSA-N 318.486 3.053 0 40 DGAB COc1ccccc1-c1nc([C@H](N)c2ccc(Cl)cc2)n[nH]1 95533998 COMPKOMZFLQGKZ-CQSZACIVSA-N 314.776 3.182 0 40 DGAB C[C@@H](CO[C@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 95975168 POQKKXHVMWEZGH-JQWIXIFHSA-N 321.314 3.128 0 40 DGAB C[C@@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1O 95983107 KSEGISMBZJVSLA-SSDOTTSWSA-N 304.173 3.453 0 40 DGAB CO[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079141 IXRWEXJWBDKBLW-QGZVFWFLSA-N 310.397 3.280 0 40 DGAB Fc1ccccc1CN1CC[C@@]2(C[C@@H](N3CCCC3)CCO2)C1 96207662 CYGQTVHSXNFQDC-PKOBYXMFSA-N 318.436 3.045 0 40 DGAB O=C(CSc1nncn1C1CC1)c1ccc(F)c(Cl)c1 96411900 SDKMUPHTXRJXEY-UHFFFAOYSA-N 311.769 3.381 0 40 DGAB Cn1cccc1C(=O)Nc1ccc(NC[C@@H]2CCCO2)c(F)c1 96417198 SHGLLADKZSEDCH-ZDUSSCGKSA-N 317.364 3.007 0 40 DGAB Cc1ncccc1OCC(=O)N1CCC[C@@H]1c1cccs1 97082611 QZLBVYSDWPITMK-CYBMUJFWSA-N 302.399 3.194 0 40 DGAB C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 97136463 DAKCTRQDDYAIRC-SRVKXCTJSA-N 324.387 3.298 0 40 DGAB CN(C)C(=O)[C@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 100625435 MVOPGXWXHAQHAY-OALUTQOASA-N 309.413 3.047 0 40 DGAB CN(C)[C@@H](c1ccccn1)[C@H]1CC[C@H](CNC(=O)C2CC2)CC1 100750191 MTCCMEDODPNOBJ-RVKKMQEKSA-N 315.461 3.017 0 40 DGAB COc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 101275524 GNIKBTLSAAXDGU-INIZCTEOSA-N 324.380 3.056 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105697298 QUPRTTZFKZNIHY-WIRVQXDCSA-N 315.413 3.209 0 40 DGAB Cc1cccc(C(=O)NC[C@@](C)(C(=O)O)c2ccccc2)c1C 193062962 OZGVLVJUVHFJFH-LJQANCHMSA-N 311.381 3.076 0 40 DGAB Cc1c(C(=O)O)c2ccccc2n1C(=O)COc1ccccc1 216722086 XGVGVNLTIOBMPB-UHFFFAOYSA-N 309.321 3.367 0 40 DGAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccc(Cl)cc1 216954012 QDEOZGDNPBMSNO-UHFFFAOYSA-N 312.756 3.391 0 40 DGAB CC(C)CO[C@@H](Cc1cccc(Br)c1)C(=O)O 225064810 OQCKEOOVJXDPAV-LBPRGKRZSA-N 301.180 3.117 0 40 DGAB COc1c(C)cc(NC(=O)C(C)(C)Br)cc1C 225595541 YASZNFOBTBOQML-UHFFFAOYSA-N 300.196 3.424 0 40 DGAB COc1ccccc1NC(=O)Nc1ccc(C(=O)N(C)C)cc1 225770196 SJTFOHXSUGQIIE-UHFFFAOYSA-N 313.357 3.041 0 40 DGAB CCCOc1ncc(NC(=O)[C@](C)(OCC)C2CC2)cc1C 225902540 OUFMFHQPULXHSB-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB CCN1CC[C@H](c2cc(Nc3nc(C)cs3)nc(C)n2)C1 257276283 NTCJVWFUVOWCJK-LBPRGKRZSA-N 303.435 3.103 0 40 DGAB Cc1cccc(N2CCC[C@@H](N(C)C(=O)c3ccsc3)C2)n1 257316530 VFZREPAEYQFLBA-OAHLLOKOSA-N 315.442 3.193 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)c2sc(C)nc2C)ccn1 257327041 WZQKSGJOVPJHSH-ZDUSSCGKSA-N 316.430 3.174 0 40 DGAB Cc1oc2nc(-c3ccsc3)nn2c1C(=O)NCC(C)(C)C 306132194 LBKNZUFXRWAAKY-UHFFFAOYSA-N 318.402 3.135 0 40 DGAB C[C@@H](c1nnc(S)n1-c1ccc(F)cc1)N1CCCCC1 19229999 KNOGJOJWLPDNRE-NSHDSACASA-N 306.410 3.242 0 40 DGAB O=C(N[C@H]1CCN2CCCC[C@H]12)C1(c2cccc(Cl)c2)CC1 46992983 UWOJASUKCIJFRO-JKSUJKDBSA-N 318.848 3.115 0 40 DGAB C[C@H](C(=O)NCCc1cccc(Cl)c1Cl)n1ccnc1 53965139 YBNWOGPKARRDOI-SNVBAGLBSA-N 312.200 3.110 0 40 DGAB O=C(c1ccoc1)N(Cc1ccccc1)C[C@H](O)c1ccco1 79054258 DQVSZLUFMWIPQB-INIZCTEOSA-N 311.337 3.249 0 40 DGAB COC(=O)C(=O)C1(CCC(C)=O)c2ccccc2-c2ccccc21 1618273 VAHWVVUIAHIRMX-UHFFFAOYSA-N 322.360 3.064 0 40 DGAB Cc1ccc(CCCC(=O)N2CC(=O)Nc3ccccc32)s1 79388282 OTZBAZQMJCAASM-UHFFFAOYSA-N 314.410 3.365 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(F)c(F)c(F)c1F 3166620 JXRUNMPHKKOVSY-UHFFFAOYSA-N 313.206 3.224 0 40 DGAB Cc1nn(C)c2sc(C(=O)N[C@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)cc12 104819302 DWFMIKZYBZZVCM-IXOXFDKPSA-N 317.458 3.498 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C32CC2)c1 4595230 BMXJAVIZWRDJMQ-CLWVCHIJSA-N 311.381 3.155 0 40 DGAB O=C(/C=C/c1ccco1)OCC(=O)c1ccc(OC(F)F)cc1 6551666 ZUFCCUXVKYRQMW-BQYQJAHWSA-N 322.263 3.320 0 40 DGAB Cc1nc(N2CCC[C@@H](O)C2)c2c3c(sc2n1)C[C@@H](C)CC3 12542908 IMTFJDJCPIZHNX-CMPLNLGQSA-N 317.458 3.086 0 40 DGAB CN(Cc1nc2ccccc2s1)C(=O)c1n[nH]c2ccccc12 8133808 PZBXRLDCKATSMW-UHFFFAOYSA-N 322.393 3.445 0 40 DGAB O=c1oc2c3c(ccc2c2c1CCC2)OCN(Cc1ccco1)C3 55393784 OMOJGIDJPZGDCP-UHFFFAOYSA-N 323.348 3.227 0 40 DGAB biogenic Cc1ccc(-c2nnc([C@@H](C)Sc3nnc(N)s3)o2)cc1 8293680 ZMYVFTVLEMXVSZ-MRVPVSSYSA-N 319.415 3.332 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2cc(F)ccc2[nH]1 25012336 GWQSHJLPMTYLNL-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB Cc1cccc(Nc2nnc(S[C@@H]3CCOC3=O)s2)c1C 3255735 YQRKJAZNVZEZDA-LLVKDONJSA-N 321.427 3.306 0 40 DGAB O=c1c2c3c(sc2nc2[nH]nc(-c4ccccc4)n12)CCCC3 100748835 FPVDZPZKLVKFQE-UHFFFAOYSA-N 322.393 3.178 0 40 DGAB Cc1cccc(OCCCCC(=O)Nc2cc(C)nn2C)c1 57386475 VHNIMCKFHCGMJX-UHFFFAOYSA-N 301.390 3.225 0 40 DGAB CC1CCN(C(=O)c2ccc(CSc3nccn3C)o2)CC1 48236966 MYSUULWNRORMKH-UHFFFAOYSA-N 319.430 3.178 0 40 DGAB O=C(CC[S@](=O)Cc1ccc(F)cc1)Nc1ccc(F)cc1 58098035 WSYVSUCVEULTFC-JOCHJYFZSA-N 323.364 3.242 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)c2nc(-c3ccccc3)c[nH]2)no1 58014195 IWVYEAUSUFEPEE-LLVKDONJSA-N 311.345 3.256 0 40 DGAB Cc1noc(C)c1NC(=O)c1cc(F)ccc1Br 58194809 NKJMUJKAJDOLMJ-UHFFFAOYSA-N 313.126 3.445 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2)o1 22246114 ALSZFQQAWCIOQR-NHYWBVRUSA-N 323.389 3.363 0 40 DGAB CN(CCCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 53211107 MWLUDDRJPVOKLX-UHFFFAOYSA-N 322.412 3.209 0 40 DGAB COc1cc2c(cc1OC)CN(C(=O)/C=C/c1ccccc1)CC2 2136405 MUBJWURUFCOPLW-CMDGGOBGSA-N 323.392 3.302 0 40 DGAB biogenic COC[C@@H](C)Nc1nc(-c2ccc(OC)cc2OC)cs1 3326576 DTVHMJNRHXLAQB-SNVBAGLBSA-N 308.403 3.274 0 40 DGAB O=C(Nc1nnc(SCc2ccc(F)cc2)s1)C1CC1 3305834 PXHDALLPJCLNIL-UHFFFAOYSA-N 309.391 3.318 0 40 DGAB COc1ccc(OC)c(CC(=O)NCCC2=CCCCC2)c1 20447750 XVRVHFJNNVLWBI-UHFFFAOYSA-N 303.402 3.253 0 40 DGAB Cc1cc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)no1 10806082 XNYOTHLWKPVNHA-UHFFFAOYSA-N 311.297 3.081 0 40 DGAB CC(=O)c1cccc(OCCCC(=O)N2CCCSCC2)c1 58809038 RBZNXQUJVQHHKB-UHFFFAOYSA-N 321.442 3.014 0 40 DGAB O=C(c1ccccc1)N1CCN(Cc2ccc3[nH]ccc3c2)CC1 55255101 OZAQVULEJVSZMP-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)cc1Cl 12894300 MNAFWFYJPNNGBL-UHFFFAOYSA-N 320.776 3.390 0 40 DGAB CCN(CC(=O)N1CCc2sccc2C1)c1ccc(F)cc1 59418937 AYYVQFQLOHDYMQ-UHFFFAOYSA-N 318.417 3.298 0 40 DGAB CCCC(=O)Nc1ccc2c(c1)N(C(=O)c1cccnc1)CC2 11695798 KXCKNDKGFJJBJN-UHFFFAOYSA-N 309.369 3.023 0 40 DGAB COc1cccc2c1C[C@@H]1c3c(cc4c(c3-2)OCO4)CCN1C 2561271 UEAPAHNNFSZHMW-CQSZACIVSA-N 309.365 3.176 0 40 DGAB biogenic,in-vitro CCC[C@@H](C)NC(=O)/C=C/c1ccc(OC)c(OC)c1OC 10127869 FDWUIMRRLWYAQP-LMMOQWNQSA-N 307.390 3.030 0 40 DGAB O=S(=O)(NCC1(c2ccccc2)CC1)c1ccc(Cl)cc1 11901498 LZAXPKXQTKETDY-UHFFFAOYSA-N 321.829 3.350 0 40 DGAB CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[C@@H]1CCc2ccccc21 46875408 JGBVXCLDYGHRPU-FUHWJXTLSA-N 322.408 3.319 0 40 DGAB C/C=C/C[S@@](=O)CCC(=O)Nc1cccc(C(F)(F)F)c1 83035487 PDOPUGNYNKXQTB-ATKOVBFVSA-N 319.348 3.359 0 40 DGAB N=c1sccn1CC(=O)c1ccc(SC(F)F)cc1 4069945 PAPVOLGDQMIOAH-UHFFFAOYSA-N 300.355 3.227 0 40 DGAB CC(=O)COC(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 4563744 XTPBJZRMVHQGJJ-UHFFFAOYSA-N 320.348 3.285 0 40 DGAB COc1cc(NC(=O)c2c(C)oc(C)c2C)cc(OC)c1OC 14200661 QVMAGTMBVKZITK-UHFFFAOYSA-N 319.357 3.483 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2cccs2)cc1 5451491 BRCFJMFXLZUCSJ-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB COc1ccc(Nc2nc(C)c3cc4c(cc3n2)OCO4)cc1 9357238 AKOPAMZFZJHQSK-UHFFFAOYSA-N 309.325 3.419 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1cccc(Cl)c1 84714920 JDSSHSRMXBDRBV-BLLLJJGKSA-N 306.837 3.077 0 40 DGAB Cc1csc(NC(=O)[C@H]2COc3ccc(Cl)cc3C2)n1 9497269 XQQHAJGVVGFXHJ-SNVBAGLBSA-N 308.790 3.295 0 40 DGAB NC(=O)c1csc(CN[C@H](c2ccccn2)C2CCCC2)c1 95427552 FLOKENQTQYYJDO-INIZCTEOSA-N 315.442 3.263 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)o1 71796464 QMDDBZLWEBXXAH-ZFWWWQNUSA-N 301.390 3.060 0 40 DGAB O=C(CN1CCCC1)Nc1ccc(Cl)cc1C(F)(F)F 5938841 SBQMYGVRXGHUEX-UHFFFAOYSA-N 306.715 3.393 0 40 DGAB c1ccc(-c2nnn(Cc3coc(-c4ccccc4)n3)n2)cc1 7016266 FVFLTOGSOQCPFA-UHFFFAOYSA-N 303.325 3.043 0 40 DGAB CC[C@@H](O)CN1CCN(c2ccc(C3CCCC3)cc2)CC1 19802304 VNIWYEKFNDXMBT-LJQANCHMSA-N 302.462 3.237 0 40 DGAB O=C(NCc1cccnc1)N[C@@H](Cc1ccccc1)C(F)(F)F 95419090 MQYVBGXJDOXJBB-AWEZNQCLSA-N 323.318 3.054 0 40 DGAB CCCSCC(=O)Nc1ccc(C)c(C(=O)NC(C)C)c1 71888898 BZJSBHIDFZOMGZ-UHFFFAOYSA-N 308.447 3.215 0 40 DGAB c1ccc2c(c1)oc1c(N3CC[C@@H](N4CCCC4)C3)ncnc12 95469696 HCIONTDFXZASLL-CYBMUJFWSA-N 308.385 3.051 0 40 DGAB Cc1ccnc(NC(=O)c2[nH]nc(C(C)C)c2Br)c1 69741120 XVDXFDXYPPXQED-UHFFFAOYSA-N 323.194 3.251 0 40 DGAB CC(C)(C)SCCNC(=O)c1cccc(N2CCCC2=O)c1 66738616 UDFYKQSOMIPYSI-UHFFFAOYSA-N 320.458 3.075 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)on1 8757313 HHGCAXORJQYDNI-AWEZNQCLSA-N 311.385 3.099 0 40 DGAB C[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)c1cccnc1 9742589 AEZUYWIMZYBFTJ-SNVBAGLBSA-N 310.275 3.471 0 40 DGAB CC(C)c1nccn1CCC(=O)N1C[C@@H](C)Oc2ccccc21 73584907 SWALWDCHODYJAQ-CQSZACIVSA-N 313.401 3.211 0 40 DGAB CC(C)(C(=O)O)c1ccc(NC(=O)c2cc(Cl)c[nH]2)cc1 95965571 BDOOHJNZIHRJBL-UHFFFAOYSA-N 306.749 3.283 0 40 DGAB Cc1ccc(CNC(=O)C2CC=CC2)c(OC[C@@H]2CCCO2)c1 95965139 LRVZLFYDMJORMK-KRWDZBQOSA-N 315.413 3.135 0 40 DGAB COc1cc(CCC(=O)Nc2nc(C)cs2)cc(OC)c1 9908746 JDEYTVBOQPQAGQ-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB CNC(=O)c1ccc(O[C@@H](C)c2nc(-c3ccccc3)no2)cc1 75147084 GNTPLSMKSCZCSK-LBPRGKRZSA-N 323.352 3.236 0 40 DGAB CCc1ccc(NC2=NCC(=O)N2Cc2ccc(OC)cc2)cc1 20143138 MQGGJZZBOCVMJE-UHFFFAOYSA-N 323.396 3.068 0 40 DGAB Cc1cc(NC(N)=S)cc(-c2nc3cccc(C)c3o2)c1O 20154589 KTMHADMHFGIJDU-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB C[C@H]1C[C@H](c2ccc(F)cc2)CN1Cc1occc1C(=O)O 516872686 KZSIPTDWJANFBP-AAEUAGOBSA-N 303.333 3.495 0 40 DGAB Cn1cc(NC(=O)CCc2ccnc3ccccc23)c(C2CC2)n1 517638688 BHKCXHUPLHFKHE-UHFFFAOYSA-N 320.396 3.417 0 40 DGAB CC(=O)Nc1ccc(SCCc2ccc3c(c2)CCO3)nc1 524735310 RAVHPHFOVSNCOZ-UHFFFAOYSA-N 314.410 3.310 0 40 DGAB CCn1ncc(C(=O)Nc2nc3ccc(OC)cc3s2)c1C 32611672 IIWZITDTNHDUCM-UHFFFAOYSA-N 316.386 3.082 0 40 DGAB Cc1ccc([C@@H]2CCCCN2Cc2cnc(C(=O)O)cn2)cc1 530162684 QYZPDCGXYNVFDP-KRWDZBQOSA-N 311.385 3.210 0 40 DGAB Cc1ccccc1-c1noc([C@@H]2CCN(Cc3ccncc3)C2)n1 72369935 FMXKRAWFBGNUCN-MRXNPFEDSA-N 320.396 3.430 0 40 DGAB CC(=O)N1CCO[C@H](c2cccc(Oc3ccc(C)cc3)n2)C1 72387173 KCRKMSDWGSNVIO-KRWDZBQOSA-N 312.369 3.102 0 40 DGAB Cc1ccc(C)c(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1 78403849 MKSUNJPKZOINIC-CYBMUJFWSA-N 316.426 3.461 0 40 DGAB CC(=O)N1CCC(Cc2ccc(-c3ccccc3F)nn2)CC1 72360718 FXBHHYCWKPLIRT-UHFFFAOYSA-N 313.376 3.084 0 40 DGAB CC(C)(C)OC(=O)Cn1nc(Br)c2ccccc21 218821788 BCKIXSOKSBORLR-UHFFFAOYSA-N 311.179 3.141 0 40 DGAB C[C@](O)(CCc1ccccc1)CNC(=O)Nc1ccccc1F 62021525 ZNSPHCWCFQTBTK-SFHVURJKSA-N 316.376 3.331 0 40 DGAB O=C(NC[C@@]1(O)CCCc2occc21)c1c(F)cccc1Cl 1565522462 QYJGMRDIJYNOHR-INIZCTEOSA-N 323.751 3.026 0 40 DGAB Clc1ccc(N2CC[C@H](NC3CCOCC3)C2)c(Cl)c1 188934700 LMLRYSQUAYRYJB-ZDUSSCGKSA-N 315.244 3.341 0 40 DGAB CC(C)CN1CCCC[C@H]1c1ccc(N2CCN(C)CC2)nc1 72216545 LAWOIOBXQBVBHF-SFHVURJKSA-N 316.493 3.016 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CCC 224775493 DRPBMLOLMQLWHJ-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB Cc1[nH]ncc1-c1nn2c(-c3ccc(Cl)cc3)nnc2s1 49547649 ITQBYJFJWPNDIO-UHFFFAOYSA-N 316.777 3.205 0 40 DGAB Cc1cccnc1NC(=S)NCCSCc1ccco1 225349257 XZRRJMUPWXAFFI-UHFFFAOYSA-N 307.444 3.203 0 40 DGAB CSc1nnc(NC(=O)CCc2ccc(Cl)cc2)s1 41018859 PGLPNDIYCPSPCX-UHFFFAOYSA-N 313.835 3.485 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CNCc1ccc(CS(C)(=O)=O)cc1 134015562 RZOPONRKNVQZFV-QAPCUYQASA-N 321.486 3.313 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CCC 225192940 CXKRBLVXRBDTCH-QGZVFWFLSA-N 318.461 3.429 0 40 DGAB O=C(NCc1nnc(C2CC2)o1)c1cc2cc(F)ccc2s1 193995747 QJXQZVSUZSCISL-UHFFFAOYSA-N 317.345 3.231 0 40 DGAB COC(=O)[C@@H](Sc1nnc(C2CC2)s1)c1ccsc1 225571927 DQQUEWAWTXNASY-VIFPVBQESA-N 312.441 3.483 0 40 DGAB O=C(Cc1cncnc1)N(C1CC1)[C@H]1CCCc2ccccc21 225557966 HHOABKCLPFBROV-SFHVURJKSA-N 307.397 3.088 0 40 DGAB Cc1cccc(C(=O)NCCc2nc(-c3cccs3)no2)c1 41097262 OAEQEBYRYKOQIN-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB Cc1noc(C)c1CN[C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 192136994 KSISSHJTRMEYAB-CVEARBPZSA-N 308.328 3.189 0 40 DGAB CC[C@H](C(=O)N1CCC[C@H](COC)C1)c1ccc(OC)cc1 96492898 AQYFXRPHXFRMDI-YOEHRIQHSA-N 305.418 3.074 0 40 DGAB Cc1ccnc(NC(=O)CCn2ncc3ccc(Cl)cc32)c1 96181960 KSPQELCZEWMFEJ-UHFFFAOYSA-N 314.776 3.422 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccoc2)C[C@@H]1Cc1cccc(C)c1 96110524 FDXSKHCKGHHEGL-ROUUACIJSA-N 313.397 3.308 0 40 DGAB COc1cccc(Cl)c1C(=O)N[C@@H](C)c1c(C)nn(C)c1C 96425172 ADFZQZOAZMZNNL-VIFPVBQESA-N 321.808 3.190 0 40 DGAB CCOC1(c2nc(Cc3ccc4c[nH]nc4c3)no2)CCCC1 585084196 IHPHKPVZOIFVSB-UHFFFAOYSA-N 312.373 3.343 0 40 DGAB O=C(NC[C@@H]1CCc2cccnc21)c1cc(F)c(F)c(F)c1F 585122643 KGBXDTSMEKEMHJ-VIFPVBQESA-N 324.277 3.098 0 40 DGAB CCOP(=O)(CCCNCc1ccccc1OC)OCC 585116696 FZSNIMLDNVKASC-UHFFFAOYSA-N 315.350 3.441 0 40 DGAB O=C(c1cccs1)N1CCC(Oc2ccncc2Cl)CC1 253471081 AYYMDJRUABXHGQ-UHFFFAOYSA-N 322.817 3.480 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(Cc3c(C)nc4sccn34)C2)n1 257260312 LCHDOCNWINRCCQ-ZDUSSCGKSA-N 315.446 3.115 0 40 DGAB COc1cccc(CN2CCCC[C@@H]2c2ccncn2)c1F 257261372 LHAFHTHXVCBTIC-OAHLLOKOSA-N 301.365 3.352 0 40 DGAB Cc1ccc(OCc2nc(CNCC3CSC3)cs2)cc1 585135974 KXGRXAJDRBQUFZ-UHFFFAOYSA-N 320.483 3.483 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1n[nH]c2ccccc12 40087327 LMUNOXQKZYGQQZ-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB Cc1nc([C@@H](C)NC(=O)N2CCS[C@@H](C(C)C)C2)cs1 76086127 XFKJRMZJFYMXDX-ZWNOBZJWSA-N 313.492 3.296 0 40 DGAB COc1ccccc1[C@@H]1CCCN1C(=O)CCc1cscn1 75694172 ZVVHVMXEHMDPBN-HNNXBMFYSA-N 316.426 3.448 0 40 DGAB O=C(Nc1ccccc1)c1cnc(Cl)nc1C(F)(F)F 2570223 JLOWJSCEKDRUFL-UHFFFAOYSA-N 301.655 3.401 0 40 DGAB O=C1OC(c2ccco2)=N/C1=C\c1cccc(Br)c1 430238 BICKVUMHWTWFKA-FLIBITNWSA-N 318.126 3.387 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)c1cccs1 1775965403 ILHYRPPBCNDLEE-SNVBAGLBSA-N 303.339 3.065 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 5973678 ROYAYUGRYGJSTN-DRZSPHRISA-N 309.431 3.297 0 40 DGAB C[C@H](OC(=O)c1ccc(O)cc1)C(=O)c1ccc2c(c1)CCC2 5693781 JLZDTGLTEXVLBH-LBPRGKRZSA-N 310.349 3.309 0 40 DGAB Fc1ccc(CNC(=S)Nc2ccc3c(c2)OCCO3)cc1 13790799 YKPBNNYBGPXINF-UHFFFAOYSA-N 318.373 3.084 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CC[C@@H](OCC2CC2)C1 390830304 KBUXWNPBFXDENX-CQSZACIVSA-N 313.319 3.347 0 40 DGAB Cc1cc(C(=O)COC(=O)/C=C/c2cccc(F)c2)c(C)n1C 3427370 ICPCKDAUQJCHLI-BQYQJAHWSA-N 315.344 3.220 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 87612864 SOQWQZZNPGBTQR-DAQGBAQMSA-N 304.430 3.138 0 40 DGAB Cc1csc(SCCCn2c(=O)[nH]c3ccccc32)n1 6653233 KUISJNXKHALINT-UHFFFAOYSA-N 305.428 3.277 0 40 DGAB CC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@@H](C)c1ccccc1 2278761 UCNOMWONTGPGPR-HOTGVXAUSA-N 324.424 3.377 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@@H](C)c3ccncc3)c12 32873731 ZGFJJXVCFDEKPY-JTQLQIEISA-N 322.368 3.295 0 40 DGAB Cc1ccc(OC[C@@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 40160686 PXTZHWZXNNTDBM-KBPBESRZSA-N 317.351 3.009 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cc(-c2cccs2)[nH]n1 51315957 WFUAUYNJPZNXOC-UHFFFAOYSA-N 301.346 3.207 0 40 DGAB Cc1cc(NC(=O)C2=C(c3ccccc3)SCCO2)no1 32074652 BHKPQBJOPSJYMX-UHFFFAOYSA-N 302.355 3.054 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)C2[C@@H]3CCCC[C@@H]23)c1C 101401332 DGVBVADLYPLAGZ-HUUCEWRRSA-N 314.429 3.137 0 40 DGAB CC(C)Oc1cccc([C@H](C)Nc2ncnc3c2cnn3C)c1 52280467 YEPKRIYMLCKCKK-LBPRGKRZSA-N 311.389 3.324 0 40 DGAB CCN1CCC[C@H](OC(=O)c2ccccc2Br)C1 32962580 GFDMNBUOKYWOJB-NSHDSACASA-N 312.207 3.090 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc(-n3ccnc3)nc2)c(C)c1 32909609 UTRQLCYARIHQBQ-UHFFFAOYSA-N 320.396 3.156 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 32973840 OGJQYGFTIBGRJV-UHFFFAOYSA-N 313.357 3.045 0 40 DGAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1Cc1ccccc1 427459 GZJZKBOYJCADNT-BEFAXECRSA-N 324.380 3.460 0 40 DGAB CC(=O)N1N=C(c2ccc(Br)cc2)OC12CCCC2 531365 KFVKDMMTVBMDAP-UHFFFAOYSA-N 323.190 3.260 0 40 DGAB CCc1nc2ccccc2n1C[C@@H](O)COc1cccc(C)c1 242727 WJQIAUVDTZBZBJ-OAHLLOKOSA-N 310.397 3.347 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N3CCC(C)CC3)CC2)cc1 317670 PQHDICARZGGWII-UHFFFAOYSA-N 314.473 3.466 0 40 DGAB c1ccc2c(NC[C@@H]3CCCO3)nc(N3CCCCC3)nc2c1 383026 ZPWNVDMZEZGFML-AWEZNQCLSA-N 312.417 3.211 0 40 DGAB C[C@@H]1CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C[C@@H](C)O1 529333 VEDWFODMAFVAQP-NXEZZACHSA-N 316.792 3.378 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)Sc2cc(C)ncn2)cc1 1286600 NMIWNHCZFKLARD-GFCCVEGCSA-N 301.415 3.467 0 40 DGAB Cc1ccc(NC(=O)N2CC2(C)C)cc1NC(=O)N1CC1(C)C 1593186 SGNCEJKNJBDGND-UHFFFAOYSA-N 316.405 3.247 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)Cc2ccsc2)c1 2629547 NVCMWUTTXMSHJG-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)s1 3384735 YCPCIRMHNCGGSM-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2)c1 3398292 LRQYWDCPJNWFCZ-CYBMUJFWSA-N 311.337 3.073 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H](C)OC(=O)c2ccco2)c(C)c1 3556352 YVSHTASFOYMDNG-CYBMUJFWSA-N 301.342 3.389 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc(Cl)ccc2OC)c1 3559075 BTHWLVSEMDSJMV-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB CCOc1ccc2oc(C(=O)O[C@@H]3CCCC3=O)c(C)c2c1 3562553 GXSZIXQJWAGCIL-OAHLLOKOSA-N 302.326 3.418 0 40 DGAB CCc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 6168819 KQHXNKOGBMJFGW-LJQANCHMSA-N 311.425 3.047 0 40 DGAB C[C@H]1C[C@@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 6641532 LVDYVPKRXRFDHE-CBAPKCEASA-N 302.157 3.131 0 40 DGAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CC3)n2)cc1 7406626 QMPLDDHKVGVXAB-UHFFFAOYSA-N 301.371 3.117 0 40 DGAB Cc1ccc(NS(=O)(=O)N2CCCCCC2)cc1Cl 7615185 UNGQGPBQNRNYFT-UHFFFAOYSA-N 302.827 3.181 0 40 DGAB Fc1ccc(-n2ncc3c(N4CCCCCC4)ncnc32)cc1 8582986 DFHLSZNIMJRCJA-UHFFFAOYSA-N 311.364 3.335 0 40 DGAB CCOc1cc(C=O)ccc1OCCCSc1nnc(C)o1 8731610 AUYLJOVTVGPOCX-UHFFFAOYSA-N 322.386 3.150 0 40 DGAB CCOC(=O)C1CCN(C(=S)c2ccc(Cl)cc2)CC1 9188291 MBJJHXMFLIRULR-UHFFFAOYSA-N 311.834 3.291 0 40 DGAB CCOc1ccc2nnc(-c3ccc(Cl)cc3Cl)n2n1 9305827 YSLSSWFPZZBOEA-UHFFFAOYSA-N 309.156 3.497 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1ccc2[nH]cnc2c1 9896613 SLRLCZSBTXSNHR-UHFFFAOYSA-N 320.352 3.164 0 40 DGAB O=C(NCc1ccccc1)c1nc(-c2ccc3cc[nH]c3c2)no1 12323157 LDJYRMVPKLPJDO-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CSc1nc2ccccc2[nH]1 12616390 CGYHRVGCEWKHPJ-TXEJJXNPSA-N 303.431 3.445 0 40 DGAB Fc1cc(F)cc(NC(=S)NCc2ccc3c(c2)OCO3)c1 12651819 GDQVDLFZTQCIPU-UHFFFAOYSA-N 322.336 3.180 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1 12860613 HYSIHJCHNYHXIR-CABCVRRESA-N 300.402 3.223 0 40 DGAB OC[C@H](CNc1ncnc2cc(Cl)ccc12)Cc1ccco1 12912687 AZDMQVQXILWVQE-NSHDSACASA-N 317.776 3.139 0 40 DGAB O=C(NCc1ccc(Cl)cc1)[C@H]1COc2ccccc2C1 12925811 HWEPWHUJICWPAJ-CQSZACIVSA-N 301.773 3.208 0 40 DGAB CCc1ccccc1NC(=O)CCNC(=O)c1ccsc1 12927190 VKXNXWKNZINMKM-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=S)Nc2ccc(C)cc2C)C1 13470931 TZBYMJWEZMEWGU-CQSZACIVSA-N 320.458 3.275 0 40 DGAB O=C(Nc1ccc(SCc2ccc(F)cc2)nn1)C1CC1 13701896 CYFUMIDACIKLKI-UHFFFAOYSA-N 303.362 3.257 0 40 DGAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1C[C@H](C)O[C@@H](C)C1 13745614 XTDJRHNMWOHEGI-ZOBUZTSGSA-N 305.418 3.097 0 40 DGAB CCc1ccccc1O[C@H](C)C(=O)NCc1ccc(F)cc1 20034695 UHYAWEYVLSWZPK-CYBMUJFWSA-N 301.361 3.472 0 40 DGAB O=C(O)c1ccc(NC(=O)C(Cl)(Cl)Cl)cc1Cl 20136943 HCAZKYHKLMQGDH-UHFFFAOYSA-N 316.955 3.347 0 40 DGAB Cc1cc(F)ccc1NC(=O)[C@@H](C)NC(=O)c1ccccc1F 20252043 PRJOHIQLBLBJBS-LLVKDONJSA-N 318.323 3.030 0 40 DGAB COCCN[C@@H](C(=O)c1c[nH]c2ccccc12)c1ccccc1 23230153 BSXAEGXIQZDLNC-GOSISDBHSA-N 308.381 3.328 0 40 DGAB COC(=O)c1ccoc1COc1ccc2c(C)cc(=O)oc2c1 23446867 WZZNMQQMQULPPT-UHFFFAOYSA-N 314.293 3.060 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccco1 24559964 SJFSEVSMGORGNH-MRXNPFEDSA-N 321.380 3.332 0 40 DGAB Cc1csc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1 24708474 JZLDQNDFNGSYOE-UHFFFAOYSA-N 321.833 3.067 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)Cc1noc2ccccc12 24876223 HBFPHMPLSHHSEJ-UHFFFAOYSA-N 322.364 3.358 0 40 DGAB CN(Cc1nc2ccccc2s1)C[C@H](O)Cc1ccccc1 27406499 IPMURAOMTDBMON-OAHLLOKOSA-N 312.438 3.332 0 40 DGAB COc1ccc([C@@H](NCc2ccc(C)o2)c2nccn2C)cc1 30650879 ORWOJWUGAVBZDF-QGZVFWFLSA-N 311.385 3.209 0 40 DGAB CC(C)c1noc(CCC(=O)Nc2nc(C3CC3)cs2)n1 30850652 OHDAKXDXGCSGBC-UHFFFAOYSA-N 306.391 3.098 0 40 DGAB CCOC(=O)c1ccc(C(=O)N[C@H](C)c2ccccc2)nc1C 32809580 QLLVTSHYCMXDOI-GFCCVEGCSA-N 312.369 3.058 0 40 DGAB CCCc1n[nH]c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)n1 32907143 YJVFILZWQFHZCZ-STQMWFEESA-N 322.478 3.031 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)CN1CCc2ccccc2C1 35564958 POVUFKZWIFBOOV-HNNXBMFYSA-N 306.409 3.023 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N[C@H](C)CCC(C)C 36661581 JZECQQWMKYMBAU-CQSZACIVSA-N 315.417 3.435 0 40 DGAB Cc1nc(CCNC(=O)C2(c3cccc(F)c3)CCC2)cs1 43791229 CNFMMGOUFASOKJ-UHFFFAOYSA-N 318.417 3.371 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCC[C@@H](C)C2)cc1 44080794 JMMNMIWRNGHKBC-OAHLLOKOSA-N 305.491 3.403 0 40 DGAB Cc1nc(N2CCC(O)CC2)c2c(CC(C)C)csc2n1 44974504 NSYHNVBKWULZSR-UHFFFAOYSA-N 305.447 3.159 0 40 DGAB Cc1ccccc1CC(=O)NCCCN1C[C@@H](C)C[C@H](C)C1 47416447 OWXWYTWJOMLZDQ-HOTGVXAUSA-N 302.462 3.022 0 40 DGAB Cc1ccc(C(=O)NCCCN2C[C@@H](C)C[C@@H](C)C2)c(C)c1 48332023 WLDZXCFQZUTRHG-IYBDPMFKSA-N 302.462 3.401 0 40 DGAB CCCOc1ccc(CNc2cncc(-n3cccn3)n2)cc1 48355473 YRXPSQGANWZYHQ-UHFFFAOYSA-N 309.373 3.063 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)Cc1cccs1 56172891 RQCGWBDSKBHIBA-UHFFFAOYSA-N 316.426 3.458 0 40 DGAB CCOC(=O)NCCC(=O)N[C@H](C)c1oc2ccccc2c1C 57035903 MSOHQANQDXENON-GFCCVEGCSA-N 318.373 3.055 0 40 DGAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)c1cccs1 58177777 XLKJCZIVTXVKKX-UHFFFAOYSA-N 318.417 3.282 0 40 DGAB COc1ccccc1-c1nnc(CN2CCc3ccccc32)o1 62650449 YEXUPLNUYOEBHB-UHFFFAOYSA-N 307.353 3.308 0 40 DGAB Cc1ccccc1NC(=O)CCc1nc(-c2cccnc2)no1 64799511 RLGCJZHNAUFOBP-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB COc1cc(C(=O)Nc2ccccc2-c2nncn2C)ccc1C 68726904 VMARCLDKKJDLQJ-UHFFFAOYSA-N 322.368 3.051 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)COCCOC)c(C)c1 69415097 OWLVIPVLRMLILH-ZDUSSCGKSA-N 311.447 3.487 0 40 DGAB O=C(NCC1CCN(c2ccncc2)CC1)Nc1ccccc1 70928873 VQLUAHKQLJVJEH-UHFFFAOYSA-N 310.401 3.120 0 40 DGAB O=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@H]1CCOC1 71890102 OEARHIHRIBMTAA-HNNXBMFYSA-N 321.380 3.060 0 40 DGAB C[C@@H](Nc1ccc2c(c1)n(C)c(=O)n2C)c1ccc(F)c(F)c1 71902634 OUCXLEAMPXWLTE-SNVBAGLBSA-N 317.339 3.328 0 40 DGAB C[C@H](c1ccccc1F)N(C(=O)COC[C@@H]1CCCO1)C1CC1 71904423 FNRLHERZYCKYEZ-HIFRSBDPSA-N 321.392 3.073 0 40 DGAB CC[C@@H](Nc1ccc(OCC(N)=O)cc1)c1ccc(F)cc1F 71915830 IPDCUAFKZLAWHA-MRXNPFEDSA-N 320.339 3.392 0 40 DGAB Cc1nnc(-c2ccc(NC(=O)c3ccnc(Cl)c3)cc2)o1 72292765 XLWODBWHJMOMOD-UHFFFAOYSA-N 314.732 3.346 0 40 DGAB COC(=O)[C@@H](NC(=O)c1ccc(C)s1)c1ccc(C)cc1 72305473 YFXZAMWBOBNAMO-AWEZNQCLSA-N 303.383 3.009 0 40 DGAB c1cc(-c2cc(N3C[C@@H]4CCC[C@H]3C4)n3nccc3n2)ccn1 72418983 GCMFKCIFMMZRMX-HIFRSBDPSA-N 305.385 3.170 0 40 DGAB CCC1(C(=O)NCc2ccc(-n3nc(C)cc3C)nc2)CCC1 75107010 LRXHCYAMNDADJT-UHFFFAOYSA-N 312.417 3.081 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2Cc2nnc(C3CCC3)o2)no1 75610498 HHCDZGZQBLOGQE-LBPRGKRZSA-N 317.393 3.181 0 40 DGAB CSC1(CNC(=O)NCc2ccc(C)cc2C)CCOCC1 76086235 UOTFOVFKVNYLHE-UHFFFAOYSA-N 322.474 3.015 0 40 DGAB COc1ccc2c(c1)[C@@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302956 SGKSNEXYMMIQKE-PQENSZJKSA-N 302.414 3.403 0 40 DGAB in-vitro CSC[C@@H](C)C(=O)Nc1ccc(Cl)c(C[S@@](C)=O)c1 79361022 AZHJCILEERRLGW-HOGDKLEQSA-N 319.879 3.156 0 40 DGAB Cc1cc(CC(=O)N[C@H]2c3cccc(F)c3CC[C@@H]2C)no1 79712615 PVLXFOJRZFLSOS-DYZYQPBXSA-N 302.349 3.104 0 40 DGAB Cc1csc2[nH]c(-c3ccc(Br)cn3)nc(=O)c12 89708864 VEIAMLNSTRUVGC-UHFFFAOYSA-N 322.187 3.118 0 40 DGAB O=C(Cc1ccon1)N[C@H]1CCCOc2c1ccc1ccccc21 89873162 WBPVKHCKCUNQLL-KRWDZBQOSA-N 322.364 3.400 0 40 DGAB c1ccc2sc(CN3CC[C@H](CN4CCOCC4)C3)cc2c1 93664181 NSOOGKAFMMNYDN-OAHLLOKOSA-N 316.470 3.055 0 40 DGAB CCOc1c(C)cc(-c2noc(C3CCNCC3)n2)cc1C 95095369 XJPQXIZXHRWTMW-UHFFFAOYSA-N 301.390 3.219 0 40 DGAB c1ccc(CCCc2nnc(SC[C@H]3CCOCO3)o2)cc1 95403433 QWYHZVKFHSPGIL-CQSZACIVSA-N 320.414 3.100 0 40 DGAB Cc1cccn2c(CN[C@H](C)C[C@H](O)c3cccs3)cnc12 95448916 ZNFYZMLMVXJKMT-HIFRSBDPSA-N 315.442 3.306 0 40 DGAB C[C@@H]1CN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2C(=O)N1 95458310 KQLRRPLWXHJKJV-RUNBWSAHSA-N 324.355 3.004 0 40 DGAB COc1ccc(C(=O)N(c2ccccc2)C2CCCCC2)nn1 95960603 YDWHGZUPLWKNRC-UHFFFAOYSA-N 311.385 3.465 0 40 DGAB CC(C)(CNC(=O)[C@@H]1C[C@H]1c1cccnc1)c1cccc(F)c1 96411083 DJEIYPRIOJGROG-DLBZAZTESA-N 312.388 3.418 0 40 DGAB COCCCCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 96439094 CUGOOGLHLUFDLT-CJNGLKHVSA-N 308.397 3.345 0 40 DGAB O=C(NC1CCOCC1)NC1(Cc2ccccc2)CCCC1 96502806 HPTHAJSTWSYXQS-UHFFFAOYSA-N 302.418 3.020 0 40 DGAB CCCCOc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 96590765 UBFOFWFPRQTXCO-AWEZNQCLSA-N 318.417 3.061 0 40 DGAB c1ccc(CN2C[C@H]3[C@@H](NCc4cscn4)CC[C@H]3C2)cc1 97057025 JJFLPMDGVBKHKC-JQHSSLGASA-N 313.470 3.143 0 40 DGAB CC(C)(C)c1cc(N/C=C\c2nnnn2-c2ccccc2)no1 100951414 LHIGJMFRHCVHGZ-KTKRTIGZSA-N 310.361 3.031 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CC 223091581 PEKBPFJZNOYGGC-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB CCCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CC 223605895 INCSDCPYHPXONG-INIZCTEOSA-N 304.434 3.120 0 40 DGAB CC(=O)NC1CCC(N[C@H]2CC[C@@H](c3ccccc3)C2)CC1 225420705 RTJXJVPOBFPLOS-UGXKVIGPSA-N 300.446 3.360 0 40 DGAB COCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225607701 QMQHTMJHBWZTHZ-QGZVFWFLSA-N 309.406 3.102 0 40 DGAB COc1ccc(NC(=O)[C@@](C)(OC)C2CC2)cc1C(F)(F)F 225811518 FTHDOMMHOLIQCW-AWEZNQCLSA-N 317.307 3.468 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)NCC(C)(C)C)n2)c1 225815024 PRQCKHNQDOVFMK-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB C[C@H]1CCCCN1c1ccc(-n2cnnc2)cc1Br 226275998 COJWGZMPXFWPBW-NSHDSACASA-N 321.222 3.409 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)c1cccc(C)c1 226357038 YDHOYMZSHOVJSK-VQHVLOKHSA-N 311.337 3.354 0 40 DGAB CC[S@](=O)[C@@H]1CCC[C@H](N[C@H]2CCc3ccccc3C2)C1 252485826 AUFAZGJAZBFXIX-UGNRZPKXSA-N 305.487 3.213 0 40 DGAB CO[C@H]1CCN(Cc2cccc3cccnc23)C[C@@]12CCCO2 257318093 VMMHVTCJJVRUEE-HKUYNNGSSA-N 312.413 3.005 0 40 DGAB CN1CCCC[C@@H]2N(Cc3ccc(C(=O)O)cc3)CCC[C@@]21C 257321273 WAXRSFYERXPFMR-HKUYNNGSSA-N 316.445 3.224 0 40 DGAB Fc1ccc2c(C3CCN(C[C@@H]4CCOC4)CC3)noc2c1 351998470 VEOWNCFVCWAPAZ-LBPRGKRZSA-N 304.365 3.183 0 40 DGAB O=C(NC1CC1)C1CCN(Cc2ccc3ccccc3c2)CC1 361799974 SLHDSSXNPMQQPY-UHFFFAOYSA-N 308.425 3.330 0 40 DGAB O=C(Nc1ccc(-c2nn[nH]n2)cc1)c1coc2cc(F)ccc12 390833623 KMYSFLZSSVQQJI-UHFFFAOYSA-N 323.287 3.004 0 40 DGAB COC(=O)CCCCC(=O)c1ccc(Cl)cc1C(=O)OC 575361668 DCENQDCSSKROBZ-UHFFFAOYSA-N 312.749 3.043 0 40 DGAB CN(C)[C@H](CNC(=O)/C=C/c1ccco1)c1cc2ccccc2o1 575620944 NDEHOCDMZWGDOQ-ZNFPLGDCSA-N 324.380 3.458 0 40 DGAB C[C@H](NCc1cn(C)cn1)c1ccc(OCC2CC2)c(F)c1 585083565 GHJVRHWMMOELEY-LBPRGKRZSA-N 303.381 3.199 0 40 DGAB CC[C@H](C)Cc1nc(C2(COCc3ccccc3)COC2)no1 585120512 RXEOTSCAPWCYTN-AWEZNQCLSA-N 316.401 3.143 0 40 DGAB Cc1ccccc1-c1cc(NCc2cnc(Cl)n2C)n(C)n1 585140690 IUUJVAAFEIFKFR-UHFFFAOYSA-N 315.808 3.395 0 40 DGAB CC(=O)N1CC[C@H](NCc2ccccc2)[C@H](Cc2ccccc2)C1 585269322 PDGURGUFUKQZDZ-RTWAWAEBSA-N 322.452 3.256 0 40 DGAB CCOc1ccc(/C=C2/N=C(c3cccc(OC)c3)OC2=O)cc1 176369 XIYNPJZZPWWNNM-GZTJUZNOSA-N 323.348 3.438 0 40 DGAB O=Cc1ccc(OCCCN2CCN(c3ccccc3)CC2)cc1 2021451 XMSPQPFYDDBQAV-UHFFFAOYSA-N 324.424 3.090 0 40 DGAB Cc1c(Cl)c(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCC1 2775070 NAGLACKNZCSXRZ-QMMMGPOBSA-N 309.719 3.047 0 40 DGAB Cc1nc2c(C)cccn2c1C(=O)Nc1ccc(F)cc1F 3029446 YSDOVIXROGMZDE-UHFFFAOYSA-N 301.296 3.482 0 40 DGAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2ccccc2)C(C)C)cc1 3222636 PTIOVVBLBKGIGG-KRWDZBQOSA-N 310.397 3.388 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1COc2ccccc2O1 3346389 JBVFZVZPSDMMLA-YJBOKZPZSA-N 309.365 3.020 0 40 DGAB CC(=O)N1CCN=C1SCc1ccc(C(F)(F)F)cc1 4120455 OZQAPPQULULNIX-UHFFFAOYSA-N 302.321 3.157 0 40 DGAB O=C1O[C@H](c2ccc(Cl)cc2C(=O)O)Nc2ccccc21 4710270 QGJTZCGEGQYTAR-CYBMUJFWSA-N 303.701 3.319 0 40 DGAB C[C@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 5090645 LSYXCKUHHISOFW-ZDUSSCGKSA-N 322.364 3.030 0 40 DGAB COc1ccc(/C=C/C(=O)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 5670821 QOHWCXHMFPUIFH-VSOAQEHZSA-N 301.386 3.022 0 40 DGAB C[C@@H](Sc1nnc2n1CCCCC2)C(=O)Nc1ccccc1 6097725 DXVRVJOLTJCKKS-GFCCVEGCSA-N 316.430 3.124 0 40 DGAB COc1ccc(NC(=O)CNc2cc(C)ccc2C)cc1OC 7952518 PHKIDIRMGOQMIU-UHFFFAOYSA-N 314.385 3.371 0 40 DGAB O=c1oc2ccc(Cl)cc2n1CN1CCc2ccccc2C1 8782297 VTUGFYALYJCIJW-UHFFFAOYSA-N 314.772 3.264 0 40 DGAB CCc1cccc(C)c1Nc1nnc(S[C@@H](C)C(N)=O)s1 9364600 QTAXTZQNAYPZDA-VIFPVBQESA-N 322.459 3.118 0 40 DGAB COC(=O)CSc1cc(C(F)F)c2cn(C(C)C)nc2n1 12398501 AFSSWUPFUOWZLE-UHFFFAOYSA-N 315.345 3.215 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3cccs3)n3nc(N)nc3N2)cc1 12469142 HUXVOPOYZBZYKB-CHWSQXEVSA-N 311.414 3.377 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)Cn1c(C)nc2ccccc21 12520515 JCSIPRPPCPNEKM-CYBMUJFWSA-N 323.396 3.231 0 40 DGAB O=C(NCc1cccnc1)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2 12537068 KJZICOHBYNPBER-CBHXASLJSA-N 304.821 3.276 0 40 DGAB CN(C)C(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12775386 VWTVTMUQFBDPBJ-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB C[C@@H](Sc1ccccc1C(=O)O)C(=O)NCc1cccs1 12978315 XLSMEOORFIJBKG-SNVBAGLBSA-N 321.423 3.243 0 40 DGAB Cc1ccc(C)c(-c2csc(NC(=O)c3ccn(C)n3)n2)c1 13667447 JEYVAARVXCZZBM-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB O=C(CCc1ccccc1O)NCCc1c[nH]c2ccccc12 17295832 JWWMHFMWLLCWPR-UHFFFAOYSA-N 308.381 3.165 0 40 DGAB NC(=S)Nc1ccc(-c2nc3ccccc3s2)c(O)c1 20154653 QQSDVFRQNQXVNM-UHFFFAOYSA-N 301.396 3.324 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccccc1)CC(O)=N2 20722450 KLBXRDLHGLOEMW-CYBMUJFWSA-N 305.341 3.094 0 40 DGAB CCOc1ccccc1C(=O)Nc1noc(-c2ccccc2)n1 21800442 JIDRXGZXVGYXIJ-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB C[C@@H](NCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 21813533 GMSNIYJXMABJJS-GFCCVEGCSA-N 307.390 3.080 0 40 DGAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccoc1 21836676 FYQJWDCJZLYYEQ-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCN(C)c2ccccc2)c1 24241188 FKXZISIUZFVYNM-MRXNPFEDSA-N 312.413 3.015 0 40 DGAB C[C@]12CC[C@@]3(O)[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@@H]2O 25542459 PFKKLLXEXNNDNF-GLOHGQAKSA-N 306.446 3.074 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3ccc(OC)cc3)C2=O)cc1 27791921 NOBWLCZSPNMNQD-QGZVFWFLSA-N 324.380 3.002 0 40 DGAB O=C(Nc1cccc(Cn2cccn2)c1)c1ccc(F)cc1F 31968825 BWBRGBXMDUWICP-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB CC(C)C(=O)Nc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 31976135 NKJNBMQCFMKIOZ-UHFFFAOYSA-N 322.361 3.171 0 40 DGAB COc1ccc(CCNC(=O)[C@H](C)Oc2ccccc2C)cc1 33665356 KZKYHVHAIGPSSN-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)Cc2ccc(Br)cc2)on1 40108482 GREWOQJSCRTXOH-VIFPVBQESA-N 323.190 3.107 0 40 DGAB C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1nncs1 40141674 FLMSOWRXJAWTPB-SNVBAGLBSA-N 305.403 3.242 0 40 DGAB CC(C)CCC(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 44913418 XGISBOWGZRWLOW-CQSZACIVSA-N 304.438 3.104 0 40 DGAB CC(C)c1nc(CN2CCN(c3ccccc3O)CC2)cs1 51184316 NJEKLMGVNSDCKG-UHFFFAOYSA-N 317.458 3.294 0 40 DGAB O=C(COC1CCCCC1)NC1CCN(c2ccccc2)CC1 53264905 LCOVMARNHWPKIK-UHFFFAOYSA-N 316.445 3.121 0 40 DGAB COc1ccc(CCCNC(=O)N[C@H](C)c2ccccn2)cc1 56489032 WKFNJKOEDRCSBZ-CQSZACIVSA-N 313.401 3.083 0 40 DGAB Cc1nc(C)c([C@H](C)NC(=O)c2ccc(NC3CC3)nc2)s1 57239488 OYJZYVWPKWISSK-JTQLQIEISA-N 316.430 3.220 0 40 DGAB C[C@@H](C(=O)NC1CC1)N1CCC(c2cc3ccccc3[nH]2)CC1 58281908 BXJLVIUMZJRNLC-ZDUSSCGKSA-N 311.429 3.014 0 40 DGAB Cc1nn(C)c(Oc2ccccc2)c1CNCc1nccs1 58311016 PVQLAJDIOGCYHM-UHFFFAOYSA-N 314.414 3.267 0 40 DGAB Cc1ccn2cc(C(=O)NC3(c4ccccc4)CCC3)nc2c1 58377963 RXIDSQJOWKYRNW-UHFFFAOYSA-N 305.381 3.452 0 40 DGAB CC[C@H](OC)C(=O)Nc1nc2ccccc2n1-c1ccccc1 65512888 XZXFWRXVLRJRAI-INIZCTEOSA-N 309.369 3.389 0 40 DGAB COc1nc(C(=O)NOCc2ccccc2)cc2ccccc12 65565511 XOSGFFZZVWNJFZ-UHFFFAOYSA-N 308.337 3.105 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2nc(-c3cccs3)no2)c1 68018058 MSPMXHZVWFPZGE-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(-n3ccnc3)cc2)cc1C 69389705 QFNSRVYMFGDGDF-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB O=C(Nc1cn[nH]c1)N1CCC(c2ccc(F)c(F)c2)CC1 69588429 NUWPGLKLUBITAV-UHFFFAOYSA-N 306.316 3.099 0 40 DGAB COc1c(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)c(C)nn1C 71908892 PPVSYLZKRKSOCO-UHFFFAOYSA-N 312.373 3.088 0 40 DGAB CCCN1CCCC[C@@H]1c1cnc(N2CCOCC2)cc1C 72219418 FPQLCYJHPRPCBE-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB Cc1cc(C(=O)N2CCC(=O)Nc3cc(F)ccc32)c(C)s1 72290778 JYMIVNYYSOSEPU-UHFFFAOYSA-N 318.373 3.493 0 40 DGAB O=C(Nc1ncc(-c2ccccc2)s1)NC1(CCO)CCC1 72312963 PGBUCBFEKUWWTA-UHFFFAOYSA-N 317.414 3.237 0 40 DGAB COCc1nc2ccc(NC(=O)/C=C/c3ccccc3)cc2[nH]1 72406163 MXBUMJBBTOEYOP-JXMROGBWSA-N 307.353 3.361 0 40 DGAB Cc1nc2cc(C(=O)Nc3ccc(N(C)C)cc3)ccc2n1C 74957516 ZOXDQDBEAKKGAH-UHFFFAOYSA-N 308.385 3.200 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)cc1 78403835 OXUNTLPQMVWCKV-GFCCVEGCSA-N 302.399 3.152 0 40 DGAB C[C@H](NC(=O)NCc1ccco1)c1cccc(-n2ccnc2)c1 80634855 ULXGVDVKHUOYBH-ZDUSSCGKSA-N 310.357 3.026 0 40 DGAB Cc1nccc(C(=O)N(Cc2ccc([C@@H]3C[C@H]3C)o2)C2CC2)n1 84290683 ZMJKYGVVNIBOSQ-IAQYHMDHSA-N 311.385 3.306 0 40 DGAB O=C(Nc1cnn(-c2ccccn2)c1)N1CCC[C@H]2CCC[C@H]21 86298674 PICMBAOMIRWSJZ-UKRRQHHQSA-N 311.389 3.064 0 40 DGAB Cc1noc(C)c1[C@@H](C)NC(=O)NC1(C)Cc2ccccc2C1 92244222 UTGBXVBWYNBYML-LLVKDONJSA-N 313.401 3.209 0 40 DGAB CCCCOc1ccc(C(=O)/N=c2/sccn2C)cc1OC 95947764 PSHYMURMLWEXGW-WUKNDPDISA-N 320.414 3.015 0 40 DGAB COc1cc(CNC(=O)c2c(C)noc2C)ccc1OC(C)C 95949025 FKMVABGNWPVCAK-UHFFFAOYSA-N 318.373 3.017 0 40 DGAB CCOC[C@@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 96056801 HGJXULPVWFKQRR-OALUTQOASA-N 319.445 3.103 0 40 DGAB COCC[C@H]1COC2(CCN(C(=O)C3CCCCC3)CC2)C1 96220244 BXSVKKGVTBCQAK-OAHLLOKOSA-N 309.450 3.001 0 40 DGAB Cn1nccc1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404719 ILAVZCXMBOUKGY-QWHCGFSZSA-N 324.211 3.147 0 40 DGAB Cc1nc(C(C)(C)NC(=O)COCc2ccccc2)sc1C 96413152 LGJKXHOPXDAYQR-UHFFFAOYSA-N 318.442 3.328 0 40 DGAB CCOCc1ccccc1NC(=O)N1CC[C@H](CSC)C1 96418005 DPEBYBKUBBKVDL-ZDUSSCGKSA-N 308.447 3.440 0 40 DGAB CC(=O)c1cnc(NC(=O)c2cccc(NC(C)C)c2)s1 96436605 ABKCDTSMDUBKDY-UHFFFAOYSA-N 303.387 3.418 0 40 DGAB Cc1nnc(-c2cccc(C(=O)N(C)CCc3ccccc3)c2)o1 96444602 ZTJJSDKMPHRDNC-UHFFFAOYSA-N 321.380 3.360 0 40 DGAB O=C(CC[C@@H]1CCCCO1)Nc1ccc(Br)cn1 96474152 GIQJQZHAAVDSFX-NSHDSACASA-N 313.195 3.132 0 40 DGAB CSCCCn1ccnc1-c1cncc(Br)c1 97085723 QXEJVAJHSSPABM-UHFFFAOYSA-N 312.236 3.461 0 40 DGAB CCc1cnc(NC(=O)N2CCOC[C@H]2c2ccc(C)o2)s1 97099231 UDFHXVXKSLVJKK-LBPRGKRZSA-N 321.402 3.212 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1C(=O)c1cccs1 100141220 SJYAWMHDJJJNBV-DGCLKSJQSA-N 324.409 3.001 0 40 DGAB CCn1ccc(-c2cc(O)n3nc(-c4ccccc4)c(C)c3n2)n1 100733089 RWSODCSJSYHIMW-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB CC[n+]1c2n(c3c(oc4ccccc43)c1=O)Cc1ccccc1-2 100775131 KEHYVZMKEBWKMX-UHFFFAOYSA-N 303.341 3.084 0 40 DGAB biogenic CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC(O[C@H]3CCOC3)CC2)C1(C)C 110660914 QBJROGQJYMXXPO-BBWFWOEESA-N 321.461 3.021 0 40 DGAB C[C@@]12CCC[C@H]1[C@@H]1C[C@H](O)[C@H]3CC(=O)CC[C@]3(C)[C@H]1C(=O)C2 118932222 XQLFKXBNBBSWOD-QEBHPFHLSA-N 304.430 3.138 0 40 DGAB CC[C@H](O)CSc1nnc(Nc2ccccc2OC)s1 156110267 HPVVQEMRKYLWIK-VIFPVBQESA-N 311.432 3.153 0 40 DGAB Cc1cc(C)nc(Nc2ccc(C(=O)NCc3ccco3)cc2)n1 170569356 LIWCULCDUBFDLD-UHFFFAOYSA-N 322.368 3.360 0 40 DGAB C[C@@H](CNC(=O)N1CCC[C@@H]1c1ccncc1)c1nccs1 184236307 QZWMTUAZPQJLRB-GXTWGEPZSA-N 316.430 3.188 0 40 DGAB O=C(COc1ccccc1)Nc1cc(-c2cccc(F)c2)[nH]n1 223086443 RFXCQUBPORKLLN-UHFFFAOYSA-N 311.316 3.233 0 40 DGAB C[C@@H](Oc1cccc2c1CCCC2)C(=O)NCc1cccnc1 223419097 JHEKPDMMRYRDDZ-CQSZACIVSA-N 310.397 3.044 0 40 DGAB COCc1cccc(NS(=O)(=O)Cc2ccc(C)cc2)c1 224171204 HQSGNTQTWHTBDJ-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(OC)c(C)c1 224634291 VCSURIAVHUUIQT-UHFFFAOYSA-N 319.426 3.391 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225604819 KBIJVFLONQYCFU-LBPRGKRZSA-N 323.389 3.182 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2CCc2ccnc(C)c2)cn1 257262982 LNWGGTGCGRKSCZ-GOSISDBHSA-N 309.413 3.331 0 40 DGAB C[C@H](C(=O)O)C(=O)N1CCCC[C@H]1CCCc1ccccc1 263552964 MGHRNMMHZFNMRD-HOCLYGCPSA-N 303.402 3.111 0 40 DGAB Cc1csc2ncnc(NCCc3cnc(C4CC4)nc3)c12 551924105 KMOYQDBKYCXBDC-UHFFFAOYSA-N 311.414 3.322 0 40 DGAB CCC(CC)C(=O)N1CCC[C@@H](c2cncc3cnc(C)n23)C1 585182548 LGFJCCVKCSGPIQ-OAHLLOKOSA-N 314.433 3.180 0 40 DGAB O[C@@H](CNc1ncc(Cl)cn1)c1ccc(C(F)(F)F)cc1 808072122 WNLZWVTVKXXMKL-NSHDSACASA-N 317.698 3.294 0 40 DGAB CN(C)Cc1noc2ccc(NC(=O)Cc3ccccc3)cc12 1775968134 JYMHPMRGXOGTHW-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB COc1ccccc1[C@@H](CNc1ncnc2ccsc12)OC 1775972149 BXJVOBGHKOELTO-CQSZACIVSA-N 315.398 3.500 0 40 DGAB Cc1oncc1C(=O)NCCc1ccc(-c2ccco2)s1 2087147328 GQTAJCHCOPBQIY-UHFFFAOYSA-N 302.355 3.277 0 40 DGAB COc1cc(OC)c(C(=O)N[C@@H](C)c2ccccc2)cc1OC 365224 VKVUICXOJAJBBP-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB O=C1S/C(=C\c2ccc(O)cc2)C(=O)N1c1cccc(O)c1 1235782 TZOUQCMOFHAAMK-ZSOIEALJSA-N 313.334 3.339 0 40 DGAB O=C(CSc1nccc(C(F)(F)F)n1)NC1CCCCC1 2731275 DSBJGJKFPICNEE-UHFFFAOYSA-N 319.352 3.036 0 40 DGAB C[C@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)c1ccc(F)cc1 3389013 JMAPPVRPHUKROF-STQMWFEESA-N 312.344 3.342 0 40 DGAB CCc1cccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)c1 3430496 JEPWHPQYONDRPL-GOSISDBHSA-N 310.397 3.455 0 40 DGAB CCC1=NN(C(=O)Cc2ccccc2)[C@@](O)(c2ccc(C)cc2)C1 4578141 RBIPZIMNDYFUSY-FQEVSTJZSA-N 322.408 3.381 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N(C(C)C)C(C)C)cc1 6376098 IMVPGPCNOXRTGC-UHFFFAOYSA-N 308.447 3.383 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CSc2nnc(C)n2C)cc1 7235029 IEKSOHUHBPMZMH-NSHDSACASA-N 318.446 3.368 0 40 DGAB Cc1ccc(NC(=O)c2ccc(=O)n(Cc3ccccc3)c2)cc1 7573712 CJRCMCMQHPOROL-UHFFFAOYSA-N 318.376 3.457 0 40 DGAB Cc1cccc(OCc2nc(C)c(C(=O)NC(C)C)s2)c1 8844226 ADGZMHJMUZMDGL-UHFFFAOYSA-N 304.415 3.477 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)Nc2cccc(C(=O)O)c2)cc1C 8906769 CVUNOTZTCQTZMV-ZDUSSCGKSA-N 313.353 3.408 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1cc(Cl)cc(Cl)c1)C(C)C 8919593 PLBFBPIUZVCZEL-GFCCVEGCSA-N 303.189 3.093 0 40 DGAB O=C(CCc1cc(Cl)no1)Nc1cccc2ncccc12 9419494 DKCXQCAMZBVSGJ-UHFFFAOYSA-N 301.733 3.448 0 40 DGAB COc1ccc(NC(=O)C2CCCCC2)cc1N1CCCC1=O 10220929 BTWAXULCXJRXBC-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB CC(=O)O[C@H](C)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 10862085 YJVXQZGWLMFDFK-ZCFIWIBFSA-N 309.671 3.249 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccccc1F)c1ccccc1 12506567 SICXMJADUMQTSR-MRXNPFEDSA-N 309.344 3.079 0 40 DGAB COc1ccc(CN(C(=O)c2cn3ccccc3n2)C2CC2)cc1 12540187 SSCVVWSRDJRTST-UHFFFAOYSA-N 321.380 3.148 0 40 DGAB CCCCOc1ccc(C(=O)Nc2cccc(C(N)=O)c2)cc1 12672314 OEJBEWGGQADDDE-UHFFFAOYSA-N 312.369 3.217 0 40 DGAB CC[C@H]1CO[C@@H](C)CN1CC(=O)Nc1cccc2ccccc12 12950886 QATSPGWNXJVEJA-HOCLYGCPSA-N 312.413 3.278 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccccc1F 12983637 IIYUSSNTDHRBGE-ZDUSSCGKSA-N 323.414 3.341 0 40 DGAB CC(C)CCNC(=O)CCCNC(=O)c1ccc(Cl)cc1 14185041 WXJFSZLMWMMODD-UHFFFAOYSA-N 310.825 3.012 0 40 DGAB Cc1ccc(CN2CCc3nc([C@@H]4CCCN4)ncc3C2)cc1C 19214012 QDJOSCBNVODECI-IBGZPJMESA-N 322.456 3.076 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cc(F)ccc1F 19287480 RAHLAZRGCVNELR-SUMWQHHRSA-N 301.340 3.325 0 40 DGAB CC(C)CC[C@H](CCNCCN1CCOCC1)c1ccco1 20589708 HSBNMNSKYWWRDK-QGZVFWFLSA-N 308.466 3.111 0 40 DGAB O=C1c2ccccc2-c2cc(N3CCOCC3)nc3cccc1c23 20760068 BUWARJBQHWMPTL-UHFFFAOYSA-N 316.360 3.283 0 40 DGAB biogenic COCc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 24002537 HUECMBBQAGZHRY-UHFFFAOYSA-N 311.385 3.081 0 40 DGAB COc1cc(NC(=O)c2cccc(C)n2)c(OC)cc1Cl 24805824 FMISULGZXLTUQB-UHFFFAOYSA-N 306.749 3.313 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1cccc(N2CCCCC2=O)c1 24942791 MMCPXPRMHFCLNT-MRXNPFEDSA-N 316.401 3.101 0 40 DGAB Cn1c(NC(=O)Cc2c[nH]c3ccccc23)nc2ccccc21 27923747 ZRVOPJPSHYRSGM-UHFFFAOYSA-N 304.353 3.236 0 40 DGAB CCOc1ccccc1N(CC)S(=O)(=O)c1ccccc1 28580388 SLXUUIVEXCNSOE-UHFFFAOYSA-N 305.399 3.301 0 40 DGAB O=C(CCc1ccccc1)NCCCN1CCc2ccccc2C1 29838603 ZEGNBRIGHRPDBN-UHFFFAOYSA-N 322.452 3.184 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc(Cl)s1 30015683 MLOQJNKTLKSECC-ZETCQYMHSA-N 306.778 3.164 0 40 DGAB CCCc1n[nH]c(SCc2nc(-c3ccc(C)cc3)no2)n1 32907141 YUCMDZRPFMIJNU-UHFFFAOYSA-N 315.402 3.408 0 40 DGAB CCCCNc1nc(-c2cn(C)nc2C)cc(C(F)(F)F)n1 36613826 OIAIYCTVYUFMSK-UHFFFAOYSA-N 313.327 3.416 0 40 DGAB C/C(=C/C(=O)O)C(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 36627559 LAGIYGZNUFCEJB-FPLPWBNLSA-N 320.345 3.227 0 40 DGAB OC1CCC(Nc2ncnc3c(Br)cccc23)CC1 41470823 MXPDITZNOQUKOC-UHFFFAOYSA-N 322.206 3.108 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NC1CCC(O)CC1 42961789 QZLZQKUBGFPIFW-ORHYLEIMSA-N 308.447 3.070 0 40 DGAB COC(=O)c1cc(NC(=S)NCc2ccco2)ccc1Cl 44385542 QVFNSQHCILBTQE-UHFFFAOYSA-N 324.789 3.206 0 40 DGAB O=S(=O)(Cc1ccccc1)Cc1cc(-c2ccccc2)on1 44640760 LAPNEQVDVVTZFC-UHFFFAOYSA-N 313.378 3.457 0 40 DGAB CC(C)n1nccc1NC(=O)CN1CCC[C@@H]1c1cccs1 44889304 HKLTYYUYELUZES-CYBMUJFWSA-N 318.446 3.301 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1F 44890296 QNLOVZWNQFNRND-CXAGYDPISA-N 313.376 3.121 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1cccc(CN2CCCC2)c1 47452440 CBDOFUMHCHYNNE-CMDGGOBGSA-N 307.397 3.329 0 40 DGAB c1coc(Cn2nnnc2S[C@H]2CCCc3ccccc32)c1 48261789 JJVVSDQJEZGLLZ-HNNXBMFYSA-N 312.398 3.484 0 40 DGAB Cn1c([C@H]2CCN(C(=O)c3ccc(F)cc3)C2)nc2ccccc21 49171243 FLCCYBLMTFHYNZ-AWEZNQCLSA-N 323.371 3.342 0 40 DGAB biogenic,in-vitro O=C(NCc1cccs1)[C@@H]1CCCN(Cc2ccccc2)C1 50026169 SVHZHJMMPMFSTH-MRXNPFEDSA-N 314.454 3.277 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)NCc2ccc(F)cc2)cc1 58133238 MECNXYWPXWSWFP-GFCCVEGCSA-N 314.360 3.145 0 40 DGAB CC(C)CN(C)C(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 58431204 CFBGNFISIPTQFW-INIZCTEOSA-N 324.424 3.307 0 40 DGAB C[C@]1(C(=O)O)CCN(C(=O)c2cc(F)c(Cl)cc2Cl)C1 62913821 KONYGFNCLVSTIK-ZDUSSCGKSA-N 320.147 3.069 0 40 DGAB Cc1nc(Cl)cc(NC[C@H]2CCN(c3ccccc3)C2)n1 65475652 TUJRIHAEOCVNKP-CYBMUJFWSA-N 302.809 3.377 0 40 DGAB CC(C)N(Cc1ccccn1)C(=O)CCC(=O)c1ccccc1 65538408 HRGPPWWFCHGWLD-UHFFFAOYSA-N 310.397 3.482 0 40 DGAB Cc1cccn2c(F)c(-c3nnc(Cc4ccccc4)o3)nc12 66089213 VUZZGVJUIZUXAO-UHFFFAOYSA-N 308.316 3.423 0 40 DGAB C[C@@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccn1 68259230 JRXKLOAPWUEVRY-GFCCVEGCSA-N 324.409 3.421 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(CC)cc2)C1 69519573 SWYJUIQXVHQUFT-INIZCTEOSA-N 316.445 3.018 0 40 DGAB CC(C)Sc1ccc([C@@H](C)NC(=O)CCn2cncn2)cc1 69527779 OOHXDPZRBAITJB-CYBMUJFWSA-N 318.446 3.046 0 40 DGAB O=C(NCCc1ccco1)N[C@H](c1ccccc1)c1ccncc1 69656407 PJOXGRODOHIGIL-GOSISDBHSA-N 321.380 3.306 0 40 DGAB CC(C)CN(C(=O)c1cnc2c(cnn2C(C)C)c1)C1CC1 71798356 JHWVDIXHBLVHAE-UHFFFAOYSA-N 300.406 3.273 0 40 DGAB CC(C)N(C(=O)c1ccc(-n2cccn2)c(F)c1)c1cccnc1 71803779 NIMJIJRAABRDCB-UHFFFAOYSA-N 324.359 3.462 0 40 DGAB CC(C)c1nnc(CNC2(c3ccc(F)cc3)CCOCC2)o1 71886843 YXYHPTLSORQPFX-UHFFFAOYSA-N 319.380 3.128 0 40 DGAB C[C@@H](C(=O)N1CCC[C@H](c2nccs2)C1)N1CCCCCC1 72300311 AOTPZTFIZZQXID-GJZGRUSLSA-N 321.490 3.114 0 40 DGAB CC(C)CCn1c2ccc(C(N)=O)cc2c2cc(C(N)=O)ccc21 73634168 QBGDTYSNONJYAT-UHFFFAOYSA-N 323.396 3.038 0 40 DGAB COc1ccccc1NC(=O)N1CCCC[C@@H](N2CCCC2)C1 75134371 GQDYNYMWPVYSDA-OAHLLOKOSA-N 317.433 3.177 0 40 DGAB CCOC1CCN(C(=O)c2cc(C)ccc2N(C)C(C)C)CC1 76021739 YAZFJPPBBZOAQN-UHFFFAOYSA-N 318.461 3.481 0 40 DGAB O=C(NCC[C@@H](O)c1cccs1)c1c(F)cccc1Cl 77113692 DYEKGZGPYPFPIH-LLVKDONJSA-N 313.781 3.394 0 40 DGAB Cc1cnn(-c2ccc(NC(=O)c3ccncc3F)cc2F)c1 78869831 BBAUGOWPZVIDSP-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CCc1nnc(COc2ccc(Br)cc2C)n1C 89296142 JPYBKSVFIKCAFB-UHFFFAOYSA-N 310.195 3.027 0 40 DGAB COc1ccc(-c2nnc(CSC3=N[C@H](C)CS3)o2)cc1 89524233 JSUYMTGPZQUGPS-SECBINFHSA-N 321.427 3.470 0 40 DGAB COC(=O)CCn1nc(C)c(CN2CCCC(C)(C)CC2)c1C 93660293 APGOEFOGOXRWLI-UHFFFAOYSA-N 321.465 3.075 0 40 DGAB CN(Cc1noc(-c2ccc(Cl)cc2)n1)C[C@H]1CCCO1 95356574 IDVDIAYZACYPLO-CYBMUJFWSA-N 307.781 3.001 0 40 DGAB C[C@H](c1ccco1)N(C(=O)c1cc2ccccc2[nH]c1=O)C1CC1 95369449 QPMXFPXQEPJCNP-GFCCVEGCSA-N 322.364 3.487 0 40 DGAB CC[C@H](CNc1ccc(C(=O)N(C)C)cn1)Oc1ccccc1 95395978 YAPSRDQBDHVUBT-OAHLLOKOSA-N 313.401 3.053 0 40 DGAB Oc1c(F)cc(CNc2cccc(-c3nc[nH]n3)c2)cc1F 95437447 SYUFDNWFOMGBMR-UHFFFAOYSA-N 302.284 3.068 0 40 DGAB O=C(c1cccc(C2OCCO2)c1)N1CCC[C@@H]1c1ccncc1 95441924 QKTYQUZGIZZUSC-QGZVFWFLSA-N 324.380 3.104 0 40 DGAB Cc1ccccc1C1(CN[C@@H]2C[C@@H](C)OC2=O)CCCCC1 95958794 QCIOSGRLRXIHLB-NVXWUHKLSA-N 301.430 3.491 0 40 DGAB C[C@H](CO[C@H]1CCOC1)NCc1ccc(F)c(C(F)(F)F)c1 95975169 POQKKXHVMWEZGH-PWSUYJOCSA-N 321.314 3.128 0 40 DGAB COCc1cc(C(=O)Nc2cc(C(C)(C)C)ccc2O)no1 96435933 FFNMHVOHZWUXDJ-UHFFFAOYSA-N 304.346 3.076 0 40 DGAB COC(=O)c1cc(CN[C@@H]2CCc3c(OC)cccc32)oc1C 97035014 JEOYLQQNXIJSET-MRXNPFEDSA-N 315.369 3.160 0 40 DGAB CC(C)Sc1ccccc1C(=O)Nc1nnc2n1CCCC2 97079894 KATZUPGRASRTGR-UHFFFAOYSA-N 316.430 3.367 0 40 DGAB CCSCc1ccnc(NC(=O)NCc2ncccc2C)c1 97107694 WKQXHKGTKVVPSC-UHFFFAOYSA-N 316.430 3.360 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)o1 97142614 NVNNUAOEJRWJSQ-NVPHKHGQSA-N 324.424 3.238 0 40 DGAB COC(=O)[C@H](N[C@H](C)c1ccc(C)o1)c1cccnc1 97373959 MBVVTJVZTPHJFP-LBPRGKRZSA-N 274.320 2.548 0 40 DGAB C[C@H]1C=CC[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]12 100636958 VLJCDLYTSOJWQF-TVYUQYBPSA-N 309.287 3.407 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)c(C)c1 101276361 KOVKDAZLDGZBNH-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB COC[C@@H](NC(=O)C[C@H]1CCCCO1)c1ccc(Cl)cc1 193534271 KMVJQSSPOUBUIC-HUUCEWRRSA-N 311.809 3.103 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1 195542367 SFKVFPDMRHAPAT-PVAVHDDUSA-N 324.428 3.040 0 40 DGAB COc1ccc(O[C@@H](Cc2c(C)cccc2C)C(=O)O)cc1 225031581 ONGROMXJZOSLNC-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB Cn1ccnc1[C@@H]1CCCN(CCCCC2CCOCC2)C1 225629281 CWOHKISUZQCHHM-QGZVFWFLSA-N 305.466 3.196 0 40 DGAB O=C(NC[C@@H]1CCCN1c1ccccn1)c1cccc(Cl)c1 225630397 KRHMORRUOZRRNU-HNNXBMFYSA-N 315.804 3.134 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCC(C)(F)F 583650854 AMJBMPYWSZZSIM-JTQLQIEISA-N 309.353 3.194 0 40 DGAB CC[C@H](NC(=O)C[C@H]1NC(=O)c2ccccc21)c1ccccc1 585121513 RJBXEJOFFDJQLE-DLBZAZTESA-N 308.381 3.129 0 40 DGAB Cc1c[nH]c(-c2ccc(NC(=O)[C@H](C)OCC(C)C)cc2)n1 585130611 WIHISNBZCPPPLR-ZDUSSCGKSA-N 301.390 3.385 0 40 DGAB O=C(NCc1ccnc(-c2ccncc2)c1)c1cccc(F)c1 585350382 GJIXBKZDSOOMCY-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB CO[C@@H]1C[C@H](c2ncc[nH]2)N(CCc2ccc(Cl)cc2)C1 1548938087 IZGWOHAMVHWZAV-HUUCEWRRSA-N 305.809 3.068 0 40 DGAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1CC1CCCC1 1888890962 WTWKUGUBQCTYSY-UHFFFAOYSA-N 311.360 3.492 0 40 DGAB CCc1nc2ccccc2n1C[C@@H](O)COc1ccc(F)cc1 98719 FZGKKKSKEPXSCB-CQSZACIVSA-N 314.360 3.178 0 40 DGAB COc1cc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)cc(OC)c1 429457 CQNDIKSTDCSWLW-UHFFFAOYSA-N 316.357 3.104 0 40 DGAB CC(=O)O[C@@H](COc1ccccc1)Cn1cnc2ccccc21 787256 SNMPVIPGBNQOSS-MRXNPFEDSA-N 310.353 3.047 0 40 DGAB Cc1cncc(C(=O)N2C[C@@H](c3ccccc3)OCC2(C)C)c1 79957587 FCHQSLACMAPAQI-KRWDZBQOSA-N 310.397 3.382 0 40 DGAB O=S(=O)(Oc1ccccc1)c1ccc(-c2csnn2)s1 3104662 JVCQDDTXACHNAR-UHFFFAOYSA-N 324.408 3.034 0 40 DGAB COc1cccc(C(=O)NCCSc2ccc(F)cc2)c1 3133704 AMQCGRZBUYZEJC-UHFFFAOYSA-N 305.374 3.356 0 40 DGAB CCCCCc1nnc(NC(=O)COc2ccccc2F)s1 7724363 FBSGTVHNRUFEFH-UHFFFAOYSA-N 323.393 3.427 0 40 DGAB Cc1cccc(NC(=O)CNc2ccccc2N2CCCC2=O)c1 12516999 BZTHQAFPFQZVHB-UHFFFAOYSA-N 323.396 3.172 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]3CC(=O)[C@H](O)[C@@]3(C)CC[C@@H]21 8612448 HYTUXCLDWATLGA-QAGGRKNESA-N 300.398 3.091 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)CSc1ccccn1 12524989 OTPAPPLYOXOORC-AWEZNQCLSA-N 300.427 3.311 0 40 DGAB CC(C)c1nnc(NC(=O)N2CCc3ccccc3C2)s1 43697527 VNIXIAQJUHWZFY-UHFFFAOYSA-N 302.403 3.252 0 40 DGAB CC(C)[C@H](C)NC(=O)Nc1cc(Cl)ccc1C(=O)N(C)C 56653783 RDXOPSIDNUAGGD-JTQLQIEISA-N 311.813 3.208 0 40 DGAB COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 57406087 QOUJAPCCUKDKNR-UONOGXRCSA-N 310.397 3.473 0 40 DGAB Cc1cccc(NC(=S)NC[C@@H]2CCCN(C)C2)c1Cl 9876198 NQWAJPSIGQGFEG-LBPRGKRZSA-N 311.882 3.277 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)c1ccccc1)c1ccccc1F 12604263 NPQYGCZHXMNOEP-INIZCTEOSA-N 309.344 3.079 0 40 DGAB Cc1ccsc1CN(C)Cc1cc(=O)n2cccc(C)c2n1 48216917 HIQWUGZYBQXUSX-UHFFFAOYSA-N 313.426 3.005 0 40 DGAB COc1ccc([C@@H](Cc2ccccc2C)NC(C)=O)cc1OC 58278050 CBUZCKIXTMJRQT-QGZVFWFLSA-N 313.397 3.432 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)o1 12798818 JVHCEKNOOQTXEF-ZIAGYGMSSA-N 318.392 3.425 0 40 DGAB CN1CCCN(C(=O)c2ccccc2)c2nc3ccccc3nc21 3334928 FGSAGSLTBHULKB-UHFFFAOYSA-N 318.380 3.117 0 40 DGAB CCOCCCC(=O)NC[C@@H]1CCN(c2ccc(Cl)cc2)C1 58308786 LTSVYNPWKOYZTM-AWEZNQCLSA-N 324.852 3.099 0 40 DGAB Cc1ccc(C(=O)/N=c2\c(C)cccn2C(=O)c2ccc(C)o2)o1 102297820 BSFFGVAHLWEQBA-KNTRCKAVSA-N 324.336 3.029 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1cccc(C)n1)c1ccsc1 36397331 RBGXTFXRZNOGSD-INIZCTEOSA-N 317.458 3.264 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1 10900422 OVAZEGQXNVPABT-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB O=C(Nc1n[nH]c(-c2ccc(F)cc2)n1)c1cc(F)cc(F)c1 12850958 MBTNNQBOJSAYJS-UHFFFAOYSA-N 318.258 3.141 0 40 DGAB Cc1ccc2[nH]cc(CCNC(=O)COc3ccccc3)c2c1 2441569 QLHYQZDILANZSX-UHFFFAOYSA-N 308.381 3.214 0 40 DGAB biogenic CC(=O)c1cccc(NC(=O)COc2cccc(C(C)=O)c2)c1 3499961 SDMJFACQLAUAIV-UHFFFAOYSA-N 311.337 3.109 0 40 DGAB Cc1cccc(NC(=O)N[C@@H](C)C[C@H](O)c2cccs2)n1 97378554 XXTBDPPFHJLXQM-RYUDHWBXSA-N 305.403 3.085 0 40 DGAB CC[C@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 27978161 HWOIBRAALWLWPI-AWEZNQCLSA-N 317.316 3.351 0 40 DGAB CCOc1ccc(C(=O)Nc2ccccc2N2CCCC2=O)cc1 12994936 GLCZZNGQQHWKIE-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB CC1(c2ccccc2)CCN(Cc2cc(C(N)=O)cs2)CC1 93133781 FXNFQLMHCMLIJZ-UHFFFAOYSA-N 314.454 3.401 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@@H](C)CCc2ccco2)c1 9154484 YQBVZRASNZMRMC-LBPRGKRZSA-N 303.358 3.048 0 40 DGAB O=C(Nc1ccc(F)cc1)N1CCCN(c2nccs2)CC1 64412435 UOIYMGIVCCPFHG-UHFFFAOYSA-N 320.393 3.026 0 40 DGAB Cc1cc(N2CCOCC2)nc(Nc2ccc(Cl)cc2)n1 9201265 VVXJWFDSOGGVHN-UHFFFAOYSA-N 304.781 3.019 0 40 DGAB Cc1cc(NC(=O)Cc2nc(-c3cccs3)oc2C)on1 65565251 OZXGCPBRVFQHOG-UHFFFAOYSA-N 303.343 3.189 0 40 DGAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1cccs1 5322689 LCZNJWSUQZQZSS-UHFFFAOYSA-N 315.394 3.435 0 40 DGAB COC(=O)c1ccc(CSc2nc(C)c3c(n2)CCCC3)o1 14162095 GRRHOYNJVRKEOU-UHFFFAOYSA-N 318.398 3.336 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccco1)N1CCCC1 6432363 CAJPZRINKDFCST-DVQDXYAYSA-N 310.397 3.246 0 40 DGAB COC(=O)c1ccc2c(C)cc3c(C)ccc(c1C(=O)OC)n23 4666805 GHCJQVNFWJORPD-UHFFFAOYSA-N 311.337 3.283 0 40 DGAB Fc1ccc(OCc2nc(-c3ccc4c(c3)OCO4)no2)cc1 4744839 KWKNHWIUSMXWFV-UHFFFAOYSA-N 314.272 3.183 0 40 DGAB CCc1cccc(NC(=O)COC(=O)c2cccc(C)c2O)c1 4922432 JBIAUVSRTDOAHP-UHFFFAOYSA-N 313.353 3.059 0 40 DGAB Cc1ncc(CNc2cnn(CC(F)F)c2)n1-c1ccccc1 90190216 UWKIDAOQWWTHEO-UHFFFAOYSA-N 317.343 3.254 0 40 DGAB S=C(NC[C@@H]1CCCO1)N1CCCSc2ccccc21 7101783 CZWQQCMDTCOOLI-LBPRGKRZSA-N 308.472 3.042 0 40 DGAB Cc1cc(O[C@@H](C)c2ccccc2)ccc1NC(=O)NCCO 71795672 FTBAZRWUGZXXKC-AWEZNQCLSA-N 314.385 3.249 0 40 DGAB O=C(Nc1nc[nH]n1)c1ccccc1SCc1ccccc1 7684809 NHLJDTBWHLNBFX-UHFFFAOYSA-N 310.382 3.349 0 40 DGAB Cc1nc(CNc2ncnc3oc(-c4ccccc4)cc23)no1 95434867 UTQACFGWWPHYSQ-UHFFFAOYSA-N 307.313 3.193 0 40 DGAB Cc1ccccc1[C@H](O)CSc1nc(-c2ccncc2)n[nH]1 95404016 KNQLMFOMURBVNP-CQSZACIVSA-N 312.398 3.001 0 40 DGAB CCN(C)c1ccccc1NC(=O)CCCn1ccnc1C 71896708 OCKRMRCHUCCMIN-UHFFFAOYSA-N 300.406 3.067 0 40 DGAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2cc[nH]n2)cc1 69623324 VYYBARNUVDTFQT-KRWDZBQOSA-N 320.352 3.189 0 40 DGAB OCc1ccc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)o1 91963116 GZIXAZMYVVCAJR-RHSMWYFYSA-N 319.401 3.233 0 40 DGAB CO[C@](C)(C(=O)Nc1ccc2c(c1)CCC(=O)N2)c1ccccc1 71882642 CRGJPSGVVSVWBY-IBGZPJMESA-N 324.380 3.072 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 69874504 JTAHLBRKUNFCQH-HUUCEWRRSA-N 304.434 3.074 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)Cn2ccc3ccccc32)C1 69981938 MHCXWZXUPRKWLK-QGZVFWFLSA-N 322.412 3.010 0 40 DGAB CC[C@H](N[C@@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O 71902571 YCODENVLHVCKIP-GWCFXTLKSA-N 303.431 3.033 0 40 DGAB Cc1ccc(C)c(NC(=O)CCc2nc(-c3cccnc3)no2)c1 9699700 XLIJZQDBNQEADS-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB O=C(c1nnsc1-c1ccc(Cl)cc1)N1CCCCC1 72242942 UYTMUAZSBLRRLT-UHFFFAOYSA-N 307.806 3.485 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc21 72234177 DOLCCTXZEVZWMC-MSOLQXFVSA-N 323.440 3.430 0 40 DGAB O=C(CCc1ccsc1)N1CC[C@H](CN2CCCCC2)C1 72297637 CFYZQGJCZUTEFH-MRXNPFEDSA-N 306.475 3.015 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1cnn(Cc2ccccc2)c1 97159144 XJJCZLPWEUZNJO-UHFFFAOYSA-N 323.444 3.242 0 40 DGAB C[C@H](NC(=O)CN(C)[C@@H](C)c1cccnc1)c1cccs1 95977297 REFSBVXITHUNSX-STQMWFEESA-N 303.431 3.013 0 40 DGAB CCCN(C(=O)NCC(F)(F)F)[C@@H]1C[C@H](OCC)C1(C)C 72305975 VJFSJBQPQAIXOD-MNOVXSKESA-N 310.360 3.174 0 40 DGAB CC(=O)c1ccc(CNC(=O)c2ccccc2Cl)nc1C 95977914 MPMRSMIVGRXBGT-UHFFFAOYSA-N 302.761 3.176 0 40 DGAB Fc1ccc2c(c1)[C@@H](NCCc1nnc3ccccn13)CCC2 95987746 LEUHYSMJVLRNEF-INIZCTEOSA-N 310.376 3.078 0 40 DGAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(CC(C)C)on2)C1(C)C 67890007 VQELSRGIWPKACQ-DOMZBBRYSA-N 307.438 3.149 0 40 DGAB biogenic,in-vitro C[C@H](NC[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 95967849 VUYCHCVDPUQMKS-UGSOOPFHSA-N 300.377 3.095 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NCc1nc2ccccc2n1C 95978164 MMTMZEVHAJUWKP-KSSFIOAISA-N 309.413 3.175 0 40 DGAB CO[C@H]1CCC[C@@H]1OC(=O)CCC(=O)c1ccc(F)cc1F 69665394 AMRWISRQJGAMGO-GJZGRUSLSA-N 312.312 3.038 0 40 DGAB CCOC(=O)/C(=C/c1ccc[nH]1)P(=O)(OCC)OCC 31840943 LLQRYQKRAKLSDM-BENRWUELSA-N 301.279 3.185 0 40 DGAB COc1cccc(C(=O)NCc2cccc(CN3CCCC3)c2)c1 32462031 UWFFQYVUCWDUDM-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB Cc1nc(NC(=O)N[C@H](CCCO)c2ccccc2)sc1C 77516846 YYQVETSCAAMKJZ-CQSZACIVSA-N 319.430 3.395 0 40 DGAB COc1ccccc1O[C@H](Cc1cc(C)ccc1C)C(=O)O 225028741 DDZPISCVQIJHMF-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1F 224182819 PEMDZSJTFGXTRF-UHFFFAOYSA-N 301.427 3.460 0 40 DGAB FC(F)c1nc(N2CC[C@@]3(CCCNC3)C2)c2ccccc2n1 575029881 VAQCISKAPFVEHB-QGZVFWFLSA-N 318.371 3.147 0 40 DGAB CC(C)(C)c1cc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)no1 88379839 CJAGSUDSEIBAHU-NSHDSACASA-N 317.393 3.454 0 40 DGAB Cc1cc(NC(=O)c2sc(C)nc2-c2ccccc2)n(C)n1 193029564 UHQYRAJBBCXULI-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCC[C@@H](C)NS(=O)(=O)c1cc2c(cc1OC)CCCC2 225272411 VVTQDRPCFGVLIH-GFCCVEGCSA-N 311.447 3.041 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCCc1ccccc1 42646543 ZAHPFZXERYSMEC-UHFFFAOYSA-N 324.424 3.282 0 40 DGAB CCOCCCNC(=O)[C@H](CC)Oc1ccc2c(c1)CCCC2 225681681 WKJAPOBXRRDSEU-SFHVURJKSA-N 319.445 3.266 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1ccc(C)cc1C 225464654 FLBKMCHAIUKCFP-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB Cc1ccc(CNC(=O)c2snnc2-c2ccccc2)cc1 225758570 MMHBVNQUQIRLRH-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CCc1ccc(CC(=O)NCCCN2CCc3ccccc32)cc1 222882907 AEVXBGZXGHEGLB-UHFFFAOYSA-N 322.452 3.361 0 40 DGAB CCc1ccc([C@H]2CCCCCN2C(=O)CCNC(=O)OC)o1 96416738 UBUVMFLYPCWHLK-CQSZACIVSA-N 322.405 3.032 0 40 DGAB Cc1ccc(-n2cnnc2SCCn2ccnc2)cc1Cl 95446204 IXFJXISFSJFIMO-UHFFFAOYSA-N 319.821 3.218 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@@H](C)c1ccc(F)c(Cl)c1 97033148 OFJZIGIXVAIKIF-QMMMGPOBSA-N 324.787 3.108 0 40 DGAB Cc1csc([C@@H]2C[C@@H]3CCN(Cc4cc(C)on4)C[C@H]3O2)n1 96046306 RCTVXVYCMJRVBT-AEGPPILISA-N 319.430 3.100 0 40 DGAB CC1CCC(CN(C)C(=O)c2cccc(-n3ccnc3)n2)CC1 96501427 HBBBUPWQELRNTM-UHFFFAOYSA-N 312.417 3.166 0 40 DGAB COc1cccc([C@@H](N)c2nc(-c3ccc(Cl)cc3)n[nH]2)c1 95533529 DFPCEOHLRIDSLQ-CQSZACIVSA-N 314.776 3.182 0 40 DGAB COCc1nc(C(=O)NC[C@H](C)Sc2ccccc2)cs1 96431731 UHNRYWFMDWHITI-NSHDSACASA-N 322.455 3.200 0 40 DGAB COC[C@@H]1CCN(C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1 96417943 LPRSQSRAJHLBPU-OAHLLOKOSA-N 317.433 3.095 0 40 DGAB C[C@@H](SC(=S)N1CCCC1)C(=O)N(C)C1CCCCC1 97603796 IDILVJIQKKFQEU-GFCCVEGCSA-N 314.520 3.280 0 40 DGAB COc1ccc(CN[C@H](c2ccc(C)nc2)c2cncn2C)cc1 585085408 IACCFFVJEYLLAS-LJQANCHMSA-N 322.412 3.011 0 40 DGAB O=C(COc1cccc(F)c1)N1CCC[C@H](c2nccs2)C1 257322565 WGMRBVDSVUXGRA-LBPRGKRZSA-N 320.389 3.067 0 40 DGAB CNc1nccc([C@H]2CCCCN2Cc2ccccc2OC)n1 257297632 RIFBYDWCBDYSJD-MRXNPFEDSA-N 312.417 3.254 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)c2cc(C)n(C3CC3)c2C)no1 76043330 WXBPFOTWAHDYIO-HNNXBMFYSA-N 314.389 3.109 0 40 DGAB Cc1noc(C2CCN(C(=O)CCCc3ccccc3)CC2)n1 41121821 MZRARLFJTIYOSH-UHFFFAOYSA-N 313.401 3.107 0 40 DGAB c1ccc(CN2CCO[C@@H](c3nc(C4CCCC4)no3)C2)cc1 98013153 NEIKSUWXEXWPRC-MRXNPFEDSA-N 313.401 3.301 0 40 DGAB CO[C@H](C)CCC(=O)N(C)Cc1sccc1Br 195557961 UBAHKYBZOIZDDK-SECBINFHSA-N 320.252 3.284 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)N[C@H](C)C(C)C)o2)cc1 5862625 ZFQNFTYTIGGVHD-GFCCVEGCSA-N 319.430 3.298 0 40 DGAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@H](C)C3)[nH]n2)cc1 13366622 BYEJUYVFMBRMII-STQMWFEESA-N 313.401 3.203 0 40 DGAB Cc1cc(OCC(=O)NCCOc2ccccc2)ccc1Cl 16010456 CHWVAULMQCQCAD-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB Cc1ccc2[nH]c3nc(SC[C@H]4CCCO4)nnc3c2c1 35312188 UXARFVVCXQPUEP-SNVBAGLBSA-N 300.387 3.086 0 40 DGAB CC[C@H](C)NC(=O)c1cc2cc(Br)ccc2oc1=O 5656339 FXFUSNUHNSVOEN-QMMMGPOBSA-N 324.174 3.084 0 40 DGAB Cc1ccccc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 7216385 LIWFVUXVOXQAAA-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB COc1ccccc1[C@H]1CC(c2cc3ccccc3oc2=O)=NN1 5362009 LQRRQOGFUQNNTI-OAHLLOKOSA-N 320.348 3.240 0 40 DGAB COc1ccc2[nH]c(CN3CC[C@H](c4nc(C)cn4C)C3)cc2c1 1848352248 UPJFOTCHZGRIDN-AWEZNQCLSA-N 324.428 3.208 0 40 DGAB CN(Cc1ccncc1)C(=O)c1csc(Br)c1 36324019 WRPOIVPJOOCXLK-UHFFFAOYSA-N 311.204 3.178 0 40 DGAB COc1ccc(CC(=O)NCCc2cccc(Cl)c2)cc1F 19310616 UJDUFTOXACXTAO-UHFFFAOYSA-N 321.779 3.389 0 40 DGAB OC[C@@]12CCCC[C@@H]1CN(c1nc3ccc(F)cc3s1)C2 1888869991 IEKRUKFMBUPNEF-BZNIZROVSA-N 306.406 3.424 0 40 DGAB CN(c1ccccn1)C1CCN(c2ccncc2Cl)CC1 1889109982 ILFNAQUONDIXNJ-UHFFFAOYSA-N 302.809 3.235 0 40 DGAB COc1cc(C(=O)OCc2ccccc2)cc(OC)c1OC 1960528 YFDWNFNMVLFDRW-UHFFFAOYSA-N 302.326 3.069 0 40 DGAB COC(=O)c1ccc(-c2ccc3c(c2)C2(CCOCC2)CN3)cn1 2056226037 IGDUUWIMJDGVKY-UHFFFAOYSA-N 324.380 3.009 0 40 DGAB CCc1cc(N2CCC(O)(c3ccc(Cl)cc3)CC2)ncn1 2086928197 TYVRCIIZGMLYFV-UHFFFAOYSA-N 317.820 3.180 0 40 DGAB Cc1cccc(CN2C=NS(=O)(=O)c3ccc(C)cc32)c1 15826790 IYBBHPLAAVHPMX-UHFFFAOYSA-N 300.383 3.041 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@@](C)(O)c2cccs2)cc1 75155876 KAOFAKWDRGZVOS-QGZVFWFLSA-N 319.426 3.173 0 40 DGAB O=C(NC[C@@](O)(c1ccco1)C1CC1)c1c(F)cccc1Cl 75154896 VOOQCKBMLIFCPF-INIZCTEOSA-N 323.751 3.100 0 40 DGAB CCOc1ccccc1N[C@H](C)C(=O)N1CCc2ccccc2C1 40005416 NOOOTQSQWNBIJZ-OAHLLOKOSA-N 324.424 3.471 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)N2CCO[C@H](C)C2)c1C 40024469 HBWYUPGBYLNKSY-LLVKDONJSA-N 304.415 3.017 0 40 DGAB CCn1c(=O)c(C(=O)Nc2ccccc2C)c(O)c2ccccc21 100086744 WVIJKEMCEMMVLC-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB COc1ccc(CN(C)Cc2nc3ccccc3o2)c(OC)c1 32751379 QNXRBLPMDCHBFK-UHFFFAOYSA-N 312.369 3.477 0 40 DGAB O=c1[nH]ncc(NCCOc2cccc3ccccc23)c1Cl 52486364 RBUXERPYDKSALR-UHFFFAOYSA-N 315.760 3.067 0 40 DGAB CCOc1nc(-c2ccccc2)ccc1-c1noc(COC)n1 498675 RYJFKUBNZBDBSA-UHFFFAOYSA-N 311.341 3.344 0 40 DGAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccc2nccnc2c1 87344 PYXWPLYBOVIMLX-IBGZPJMESA-N 316.364 3.327 0 40 DGAB CC(=O)Oc1ccc2c(=O)c(-c3csc(C)n3)coc2c1 178264 ZINPLBKIFGCZCM-UHFFFAOYSA-N 301.323 3.150 0 40 DGAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1cccc(F)c1 47214170 JFOZOYLGZOTPQY-INIZCTEOSA-N 305.374 3.182 0 40 DGAB O=C(COc1ccc(-c2ccccc2)cc1)NCc1cccnc1 12496148 OXYXCEGCRYUSHE-UHFFFAOYSA-N 318.376 3.444 0 40 DGAB CCN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=O)c1ccco1 8964425 ABCNCZQJZZWMEQ-UHFFFAOYSA-N 310.353 3.092 0 40 DGAB Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@@H]1CCOC1 78666519 NJQFXPASCXJDCP-GFCCVEGCSA-N 315.373 3.143 0 40 DGAB COC(=O)CCCCCCNC(=O)Nc1cccc(C(C)=O)c1 79542746 WXYHRFXZFQDYPK-UHFFFAOYSA-N 320.389 3.134 0 40 DGAB COc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccccc2C)cc1 1977367 CBUFRMGECYJHFY-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB COc1ccc([C@@H](Cc2ccc(Cl)cc2)NCCO)cc1 6484426 ZRBBTNAWVCKGTC-QGZVFWFLSA-N 305.805 3.214 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N[C@H]1CCOc2ccccc21 7214751 OKYAMAXILTZWRB-KRWDZBQOSA-N 306.365 3.350 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc2ccccc12 100178249 VIUCACLIKCQYBA-AUTURXRWSA-N 315.372 3.397 0 40 DGAB CC(C)COCCC(=O)Nc1cccc(NC(=O)C(C)C)c1 42916973 RIRTVXSPHJLFFN-UHFFFAOYSA-N 306.406 3.282 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCS[C@H](C)[C@H]2C)cc1 104095026 IAXFEWBPDHNVRQ-BHAGLWOSSA-N 318.442 3.011 0 40 DGAB Cc1ccc(NC(=O)CCC(=O)c2ccc3c(c2)CCC3)nc1 12528653 NBCUIEPVSUNCNW-UHFFFAOYSA-N 308.381 3.480 0 40 DGAB CCN(Cc1ccc(Cl)s1)C(=O)[C@H](N)c1ccccc1 37799992 UJZVKDUSTNAMHL-CQSZACIVSA-N 308.834 3.450 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@@H](O)c1ccc(C)cc1 43332461 LMMPLIPSAAACGA-MRXNPFEDSA-N 314.385 3.249 0 40 DGAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1cccc(-c2nnco2)c1 44087581 GJZIMSUEYNCWIW-TXEJJXNPSA-N 315.377 3.036 0 40 DGAB COc1ccc(OC)c(NC(=O)C2=Cc3ccccc3OC2)c1 9645581 CJKBEONZYNHXJE-UHFFFAOYSA-N 311.337 3.118 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2ccccc2F)cc1OC 12681096 GEZVZJUOUVUNLC-NSHDSACASA-N 319.332 3.249 0 40 DGAB CC[C@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 36022402 ZSJSVCGUSBTCKC-SMDDNHRTSA-N 310.825 3.009 0 40 DGAB Cc1cccc(-c2nnc(S[C@H](C(=O)N(C)C)C(C)C)o2)c1 58209594 DERAAYNXYSPVKZ-ZDUSSCGKSA-N 319.430 3.250 0 40 DGAB COc1ccccc1N(C)Cc1nnc(Cc2ccccc2)o1 58426426 JBIYLIBNBQGIHX-UHFFFAOYSA-N 309.369 3.305 0 40 DGAB C[C@H]1CCc2onc(C(=O)NCCc3ccc(Cl)cc3)c2C1 20572084 IKBYJQKFWWELOJ-NSHDSACASA-N 318.804 3.425 0 40 DGAB COc1cccc(NC(=O)CN2CCSc3ccccc32)c1 3326017 HVHOTHLPAHEDTO-UHFFFAOYSA-N 314.410 3.246 0 40 DGAB C[C@@H](CCCO)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1 95995575 VPUGUCSEJGHPDY-GXTWGEPZSA-N 316.367 3.035 0 40 DGAB CCOC(=O)c1sc(NC(=S)Nc2cccnc2)cc1C 3332601 KHKWTWOFOVUKGW-UHFFFAOYSA-N 321.427 3.437 0 40 DGAB O=C(NCCSCc1ccsc1)[C@H]1Cc2ccccc2O1 28803978 GRDDAOWDDPKKGT-OAHLLOKOSA-N 319.451 3.101 0 40 DGAB CCOc1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 2692759 VSERFZGCTGWNQH-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=C(CCC(=O)c1cccs1)OCCOc1ccc(F)cc1 2616250 SRQVAVXDKUGIDG-UHFFFAOYSA-N 322.357 3.472 0 40 DGAB COc1ccc(OCCCC(=O)Nc2ncc(C)s2)cc1 3555817 LXZXTQXMDMMNBP-UHFFFAOYSA-N 306.387 3.258 0 40 DGAB O[C@@H]1Cc2ccccc2[C@@H]1NCc1cnc(C2CCC2)s1 95415558 WIBXKNPTIGWJMP-CVEARBPZSA-N 300.427 3.159 0 40 DGAB C[C@]12CCC[C@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@@H]32 4114563 JPYUXOAHWUWNMR-LYSGOOTNSA-N 324.207 3.216 0 40 DGAB CS(=O)(=O)c1ccccc1[S@](=O)CCCC1CCCC1 95419255 NTNJVCICUGTEPH-IBGZPJMESA-N 314.472 3.168 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)N(C(C)C)C(C)C)cc1 28844137 GWVWVIJQPSTPQY-ZDUSSCGKSA-N 305.422 3.091 0 40 DGAB Cc1ccccc1OCC(=O)Nc1nc2c(s1)CCCC2 6342602 WIQNPDVEDVEUDE-UHFFFAOYSA-N 302.399 3.348 0 40 DGAB CC(C)=CC(=O)NCCc1cc(Br)ccc1F 65568497 DGCXNUASCZCTCO-UHFFFAOYSA-N 300.171 3.213 0 40 DGAB Cc1ccc2cc(CN(C)C(=O)c3ccc(F)cc3)c(=O)[nH]c2c1 9308213 ILBMYWHYLMJNOR-UHFFFAOYSA-N 324.355 3.248 0 40 DGAB CC[C@H](CNC(=O)c1csnc1C)Oc1cccc(F)c1 95458644 KBWXXKFWXQTKJJ-GFCCVEGCSA-N 308.378 3.178 0 40 DGAB COc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1C 409233336 VADQKGBHCILNDZ-LFIBNONCSA-N 322.364 3.097 0 40 DGAB C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)c1ccccc1F 96404936 UIBCVILTCVICCE-WBMJQRKESA-N 315.344 3.261 0 40 DGAB Cc1ccccc1-c1nnn(Cc2ncc(-c3ccccc3)o2)n1 7586631 AGXRNYDQVXICTN-UHFFFAOYSA-N 317.352 3.352 0 40 DGAB O=C(Nc1cccc2cnccc12)[C@H]1COc2ccccc2O1 7655396 USRNWJKDXKDIEF-QGZVFWFLSA-N 306.321 3.013 0 40 DGAB C[C@H]1C[C@H](C)n2nccc2N1C(=O)c1cnn(-c2ccccc2)c1 71884178 GIKQICAFGNQRIO-KBPBESRZSA-N 321.384 3.069 0 40 DGAB COc1cc(F)c(NC(=O)[C@@H](OC)c2ccccc2)cc1OC 71884416 OZMOILLJNQGZRJ-INIZCTEOSA-N 319.332 3.169 0 40 DGAB C[C@@H](Cc1ccccc1F)NC(=O)N[C@H](C)c1nccs1 71879781 WXHSRLTWZJGFTO-WDEREUQCSA-N 307.394 3.274 0 40 DGAB Cc1nnc(NC(=O)Cc2csc(-c3ccccc3)n2)s1 7995718 UKNVNHFPEGVXMU-UHFFFAOYSA-N 316.411 3.151 0 40 DGAB O=C1Cc2cc(NC(=O)N[C@@H](c3ccccc3)C3CC3)ccc2N1 71905422 QPDNCLUVCXLVJK-SFHVURJKSA-N 321.380 3.454 0 40 DGAB CC[C@H](c1ccc(F)cc1F)N1CCC(C(=O)NC2CC2)CC1 71915639 VCVIJCPDQGSBOU-QGZVFWFLSA-N 322.399 3.407 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCCC[C@H]1Cn1cccn1 70038744 YIEGTDSZDNWHGE-AWEZNQCLSA-N 315.442 3.128 0 40 DGAB Cc1nnc(CN(CCc2ccc(Cl)cc2)CC2CC2)o1 71909872 LXNCYTYCOXEPFX-UHFFFAOYSA-N 305.809 3.486 0 40 DGAB C[C@H](N)[C@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 70172976 UNKKWMMFZAGSBC-UWVGGRQHSA-N 301.217 3.193 0 40 DGAB CCC[C@@H](NC(=O)c1ccccc1C)c1nnc2ccccn12 69518699 FVAIWDSLMWVZTK-OAHLLOKOSA-N 308.385 3.309 0 40 DGAB COC(=O)c1cccc(C(=O)Nc2cccc([C@H](C)OC)c2)c1 72087182 OWRGREUCELACSH-LBPRGKRZSA-N 313.353 3.433 0 40 DGAB COc1ccc(CCC(=O)OCCc2ccccc2)cc1OC 83960106 XVCOJORPMOVNQE-UHFFFAOYSA-N 314.381 3.422 0 40 DGAB C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1cccs1 97018504 NKSGXCIMLYSTAW-NSHDSACASA-N 303.383 3.208 0 40 DGAB CC[C@@H](Cc1ccc(C)cc1)NC1CCN(C(=O)N(C)C)CC1 97033370 MOBXHCCYSISAFO-KRWDZBQOSA-N 317.477 3.052 0 40 DGAB Cc1nc(CN2CCC[C@@H](c3noc(C(C)C)n3)C2)cs1 72290824 RYYWTFUQAFGOGK-GFCCVEGCSA-N 306.435 3.338 0 40 DGAB Cc1ccc2c(n1)OCCN2Cc1csc([C@H]2CCCO2)n1 97109932 QINOJZDYWPNGFT-CQSZACIVSA-N 317.414 3.097 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccn2)C[C@@H](c2ccsc2)O1 89936989 PGIFTWFAFZHRRA-AAEUAGOBSA-N 303.387 3.137 0 40 DGAB C[C@H](Oc1cc(Cl)cc(Cl)c1)C(=O)N1CCCOCC1 75582478 ZMKYTNCLITUWEO-JTQLQIEISA-N 318.200 3.010 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@H]1c1c(C)nn(C)c1Cl 75602336 MBZYWQQSUIVQRK-JTQLQIEISA-N 324.837 3.124 0 40 DGAB C[C@@H](c1cccnc1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 76021555 RPVQSEXFCXTHPU-AWEZNQCLSA-N 321.384 3.492 0 40 DGAB CCOc1ccc(NCc2ccccc2OCC(=O)O)cc1 409113335 HVROJGOKZJXHCG-UHFFFAOYSA-N 301.342 3.161 0 40 DGAB COc1ccc(CCNC[C@@H](O)c2ccccc2)cc1Cl 4687169 LCMIMDHMUFQBMC-MRXNPFEDSA-N 305.805 3.214 0 40 DGAB C[C@H](Oc1ccc(F)cc1F)C(=O)Nc1ccc2c(c1)OCO2 27975532 OHIJKDOHPPUAAQ-VIFPVBQESA-N 321.279 3.100 0 40 DGAB Cc1cc(C)n2c(SCc3nc4ccccc4o3)nnc2n1 21242178 QCFGGABIHKOTMN-UHFFFAOYSA-N 311.370 3.175 0 40 DGAB C[C@@H]1CCC[C@H](C(=O)OC(C)(C)C)N1Cc1nc(C2CC2)no1 521396507 MERZHCLXUTVDRE-DGCLKSJQSA-N 321.421 3.032 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)cc1C 72227862 ZPDUVLYBGIBTJN-JKSUJKDBSA-N 300.789 3.372 0 40 DGAB C[C@](O)(CCc1ccccc1)CNC(=O)c1ccc(Cl)cc1 62021429 MHOHWHGNLLUURH-SFHVURJKSA-N 317.816 3.454 0 40 DGAB Cc1cc([C@H](C)NCc2cc(=O)n3c(C)csc3n2)c(C)o1 183789695 VFKPPUGXWNRZFE-NSHDSACASA-N 317.414 3.125 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccccc1)c1ccc(OC)cc1 30754256 VKMUOQIYWITBLA-INIZCTEOSA-N 305.399 3.125 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](C)N(c2ccc3nnc(C)n3n2)C1 77983994 IZHSIHFROKBQDE-DZGCQCFKSA-N 307.401 3.124 0 40 DGAB CCNC(=O)CCc1ncc(-c2ccc(Br)cc2)o1 224873789 FCDRXEHJXBKHCY-UHFFFAOYSA-N 323.190 3.173 0 40 DGAB Cc1cccc(S(=O)(=O)NC23CC4CC(CC(C4)C2)C3)c1 47032197 ZJXPWCGQFNJALN-UHFFFAOYSA-N 305.443 3.242 0 40 DGAB COC(=O)c1cc(N)ccc1Nc1ccc(OC)c(Cl)c1 41080244 PFERNABJZHFDGO-UHFFFAOYSA-N 306.749 3.461 0 40 DGAB O=C(NCC1CCc2ccccc2CC1)c1ncoc1C1CC1 529609224 DRCDLHGQTJPZKR-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@H]1c1ccc(O)nn1 530077820 XHYKIJOTCXHOCI-NFAWXSAZSA-N 303.406 3.062 0 40 DGAB C[C@@H]1CCCN1C(=O)Nc1ccc(S(=O)(=O)C(C)(C)C)cc1 195575702 VIWPVMIFSMWPAN-GFCCVEGCSA-N 324.446 3.275 0 40 DGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)c1ccc(F)cc1C 96484778 FCCJFCOWRXNKFO-MRXNPFEDSA-N 318.344 3.458 0 40 DGAB FC(F)(F)c1cccnc1NCCc1n[nH]c(-c2ccco2)n1 96456216 BBRSYXBVIZWVCB-UHFFFAOYSA-N 323.278 3.133 0 40 DGAB Cc1occc1C(=O)N[C@H](C)[C@H](O)c1c(F)cccc1Cl 96449151 BQPGIQZSNORGRL-CLAHSXSESA-N 311.740 3.232 0 40 DGAB CN(C)C(=O)Cc1ccccc1NCc1cccc2[nH]ccc12 95428769 NVUWKXSTKVCXHC-UHFFFAOYSA-N 307.397 3.411 0 40 DGAB CCN1C(=O)CCC[C@]12CCCN(C(=O)c1sccc1C)C2 96229799 ZFPVMYDGCQPGNO-QGZVFWFLSA-N 320.458 3.064 0 40 DGAB C[C@@H](S[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccs1 96424934 XFKNNMBJMCLRAI-BXUZGUMPSA-N 321.471 3.471 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@H](c2nccs2)C1 257278964 OEKBKTBTLLLVGC-NSHDSACASA-N 305.403 3.022 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2cnc(C3CC3)s2)C1 69779539 WCPOQABCTBXGRP-ZDUSSCGKSA-N 316.430 3.003 0 40 DGAB CN(c1ccncn1)C1CC2(CCN(Cc3ccsc3)C2)C1 257301229 RXNYMIJEBLDUNW-UHFFFAOYSA-N 314.458 3.029 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)c1ccccc1Cl)OC 96384481 GTBMVPQBHZHPRJ-MRXNPFEDSA-N 319.788 3.466 0 40 DGAB O=S(=O)(Cc1ccccc1)NCc1ccc(-c2ccco2)o1 575609571 YMHQMTZWVDNEKJ-UHFFFAOYSA-N 317.366 3.159 0 40 DGAB CN(CCOc1ccc(Cl)cc1)Cc1nc(C2CC2)no1 43999715 ZSADIGDBHGQNKE-UHFFFAOYSA-N 307.781 3.111 0 40 DGAB O=C(Cc1cn2ccsc2n1)NC1(c2ccccc2)CCC1 58356853 GKNGJNRSLATBFC-UHFFFAOYSA-N 311.410 3.134 0 40 DGAB Cc1nc(C(=O)N2CCC(C)CC2)nn1-c1ccccc1Cl 58431177 LUIFJUSJQOFNAS-UHFFFAOYSA-N 318.808 3.101 0 40 DGAB Cc1nnc([C@@H](C)N[C@@H]2CCCc3c2cnn3C(C)(C)C)o1 76046801 ZAZCAILNUVBVEE-ZWNOBZJWSA-N 303.410 3.058 0 40 DGAB O=C(O)c1ccc(CNCc2ccc(Br)cc2)cc1 5184907 QQEDNOIBAISCMT-UHFFFAOYSA-N 320.186 3.437 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NCCC1=CCCCC1 5936207 BRAMLQBKHHBWHA-CQSZACIVSA-N 303.402 3.469 0 40 DGAB CCSc1nnc(NC(=O)COc2ccc(CC)cc2)s1 7264393 BQVVFNYKKYACOG-UHFFFAOYSA-N 323.443 3.230 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N1CCOc2ccc(C)cc2C1 585082411 PJGNCLDEPRURNQ-QGZVFWFLSA-N 317.429 3.454 0 40 DGAB O=C(NCCc1ccc(-c2cccs2)s1)[C@H]1CCOC1 1889109025 XFJILLXDGKBPMZ-NSHDSACASA-N 307.440 3.172 0 40 DGAB Cc1cnc(C(=O)Nc2nc(-c3ccccn3)cs2)c(F)c1 1889152004 CQKMPAVIQQLBIO-UHFFFAOYSA-N 314.345 3.300 0 40 DGAB CCOc1ccc(-c2cn3c(CC(=O)O)csc3n2)cc1 33418661 HZLNFGNOUNFISW-UHFFFAOYSA-N 302.355 3.089 0 40 DGAB Cc1cc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)no1 1206818457 SRSQMTXULHQMCG-UHFFFAOYSA-N 306.793 3.120 0 40 DGAB CCOc1cccc(CNC(=O)COc2ccc(Cl)cc2)c1 20107866 IIEQDYAZFFERCU-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB NC(=O)c1ccc(OCc2nc3ccccc3n2C(F)F)cc1 31673605 MJLKYSCYWKOJOH-UHFFFAOYSA-N 317.295 3.109 0 40 DGAB O=c1c(Cl)c(Cl)cnn1Cc1c(F)cccc1Cl 153040 HBPHPFABRZLERP-UHFFFAOYSA-N 307.539 3.391 0 40 DGAB O=C(c1cc(-c2cccnc2)on1)N1CC[C@H]2CCCC[C@@H]2C1 40553228 IOBBQTBKVACFBM-UKRRQHHQSA-N 311.385 3.389 0 40 DGAB O=C(OCc1nc(-c2ccccc2)no1)c1cc(F)ccc1F 51315046 YZRHSDZYFXPLNH-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB O=C(CC1CCCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 32809401 UJGPVZWRASYLKM-INIZCTEOSA-N 316.401 3.323 0 40 DGAB COc1ccc(CCC(=O)N2CCC[C@H]2c2cc(C)on2)cc1 21718859 FOMPDSRUOXLGOW-KRWDZBQOSA-N 314.385 3.288 0 40 DGAB CCOc1ccccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 32922781 ANMCVRPQTIUKNQ-QGZVFWFLSA-N 310.353 3.217 0 40 DGAB COc1cccc2c1O[C@@]1(C)C[C@H]2NC(=O)N1c1ccccc1 102732757 RQKJCDBCXABTAN-KDOFPFPSSA-N 310.353 3.465 0 40 DGAB CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCCC4)[C@H]3C=C12 526777 DCJBMWWPSZAUKA-LORHWOILSA-N 301.430 3.317 0 40 DGAB biogenic CCOc1cc2c(cc1CSc1nnc(N)s1)O[C@H](C)C2 22357386 DCYDFOZMKNWVKE-MRVPVSSYSA-N 323.443 3.135 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2nnc(CC(C)C)s2)c1 73986 LFHPZXGAKBLCRH-UHFFFAOYSA-N 321.402 3.006 0 40 DGAB biogenic,in-vitro COc1ccc2[nH]c3c(c2c1)CCn1c-3nc2ccccc2c1=O 784580 JNHSRGXMKPJTEV-UHFFFAOYSA-N 317.348 3.110 0 40 DGAB biogenic CCCCNC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 2308649 FXGJJISRMQLRAI-UHFFFAOYSA-N 308.385 3.235 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3317684 VQSIIMPNJURVEY-SWLSCSKDSA-N 323.820 3.121 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1ccc(Cl)cn1 3384183 FBPUHONPFNZFBF-SECBINFHSA-N 324.789 3.289 0 40 DGAB COc1ccc(CCNC(=O)COc2cccc(Cl)c2)cc1 3516045 SUPLAQJXUCHXTC-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C)c(C)c1 4526317 XAHVVDWTTCCPCY-LDADJPATSA-N 308.381 3.419 0 40 DGAB S=C(NC[C@H]1CCCO1)N1CCCSc2ccccc21 7101785 CZWQQCMDTCOOLI-GFCCVEGCSA-N 308.472 3.042 0 40 DGAB O=C(NC1CCCCCC1)[C@H]1CC(=O)N(c2ccccc2F)C1 7397752 LMWPTOCLAIASAX-ZDUSSCGKSA-N 318.392 3.018 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cccnc2Cl)c1 8051435 YZZPNOBFSNZKHX-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)N[C@H]2CCCC[C@@H]2C)cc1 8328271 SDAWAFPNWRNNSF-DCGLDWPTSA-N 317.433 3.140 0 40 DGAB COc1ccc([C@H]2CC(C)=Nc3c([nH]c(=S)[nH]c3=O)N2)cc1 8653252 UHEXDARYZIFOCU-LLVKDONJSA-N 316.386 3.090 0 40 DGAB CCCC(=O)Nc1ccc2c(c1)N(CC)C(=O)C(C)(C)CO2 8959432 FYYMDPCBDNMKCL-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB CCc1ccccc1NC(=O)CCNC(=O)c1cccc(C)c1 9300053 WCRMBSKKYZSYST-UHFFFAOYSA-N 310.397 3.316 0 40 DGAB CC(=O)N1N=C(c2ccccc2)C[C@H]1c1nc2ccccc2[nH]1 9378252 TTWKEPSURNIKIE-KRWDZBQOSA-N 304.353 3.261 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N[C@@H]2CCc3ccccc32)c1 10752396 XRLCEEMJMHCFOU-MRXNPFEDSA-N 301.411 3.269 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@H]2CCSc3c(F)cccc32)c1 12622551 VZVIMYVLPFCAEK-ZDUSSCGKSA-N 318.373 3.323 0 40 DGAB CC(C)=CCc1c2c(cc3ccc(=O)oc13)C[C@@H](C(C)(C)O)O2 14679164 AOUZZRQCLQLQIF-HNNXBMFYSA-N 314.381 3.376 0 40 DGAB biogenic,in-vitro CC(C)(C)c1ccc(C(=O)Oc2ccc(-n3cnnn3)cc2)cc1 14791002 ROLBNBFYHOARRQ-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB O=C(Nc1ccc(C(=O)N2CCCC2)cc1)NC1CCCCC1 14834321 AAZPAKLORGSMGS-UHFFFAOYSA-N 315.417 3.377 0 40 DGAB CC(C)(C)c1csc(CCN2C(=O)c3ccccc3C2=O)n1 15083148 YHOHISHVJRWKSE-UHFFFAOYSA-N 314.410 3.279 0 40 DGAB Cc1c(-c2ccccc2)oc2c(C(=O)N(C)C)cccc2c1=O 17395656 ZGZLXVZMSDXLQG-UHFFFAOYSA-N 307.349 3.470 0 40 DGAB O=S(=O)(NCCc1ccccc1F)c1ccccc1Cl 18940641 RHJCKACXCVUIJM-UHFFFAOYSA-N 313.781 3.000 0 40 DGAB COc1ccc(CN(Cc2ccccn2)Cc2cncn2C)cc1 19291816 ZSUFDBIJVIKNQZ-UHFFFAOYSA-N 322.412 3.026 0 40 DGAB O=C(NCc1nnc(-c2ccsc2)o1)c1cccc(Cl)c1 19293351 AHVHTSYYOUPUPL-UHFFFAOYSA-N 319.773 3.382 0 40 DGAB CCc1nc(N)sc1-c1nc(-c2ccccc2OC)no1 22121350 OLOWTRKACNSRJE-UHFFFAOYSA-N 302.359 3.013 0 40 DGAB Cc1nn(C)c2nc(-c3ccco3)cc(C(=O)N[C@H](C)C3CC3)c12 23042250 HGFMBBCDXRESLZ-SNVBAGLBSA-N 324.384 3.065 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1ccc2c(c1)CCC(=O)N2 25470349 KMBACELNJZAWOM-LBPRGKRZSA-N 306.365 3.163 0 40 DGAB C[C@H](N(C)Cc1cc(=O)n2cc(Cl)ccc2n1)C(C)(C)C 27135906 ZJBMJEPKEFQVGF-NSHDSACASA-N 307.825 3.214 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccn(COc3ccccc3)n2)C1 27971744 LXAAIKHQECIKBR-GJZGRUSLSA-N 313.401 3.038 0 40 DGAB O=C(Nc1nncs1)c1cc2cc(Br)ccc2o1 28250223 JFLNPHBHSFEXCH-UHFFFAOYSA-N 324.159 3.299 0 40 DGAB Cn1ccc(C(=O)N[C@@H](c2cccs2)C2CCCC2)cc1=O 32397790 WFKIBSBDZDIJHZ-MRXNPFEDSA-N 316.426 3.108 0 40 DGAB C[C@]1(C(=O)OCc2ccc(F)cc2)Cc2ccccc2C(=O)O1 32721665 PYZTXZSZMCGDRR-GOSISDBHSA-N 314.312 3.041 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](c1ccccc1)c1ccccn1 36836076 ZNJSJKXRCXDOFF-QGZVFWFLSA-N 307.353 3.206 0 40 DGAB CN(C)C1(CNC(=O)CCc2ccccc2Cl)CCCC1 40092700 YMDNBGYLYXGYNX-UHFFFAOYSA-N 308.853 3.263 0 40 DGAB COc1ncccc1CNC(=O)Nc1cc(Cl)ccc1C 43357106 JJZHJVSXPCGJKS-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB CCCCCCNC(=O)Nc1cccc(C(=O)NC2CC2)c1 43875224 SVNVRTQDERBMIR-UHFFFAOYSA-N 303.406 3.281 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C)CC(=O)Nc1nccs1 44894688 VCHAKXCHALDHLE-SNVBAGLBSA-N 309.822 3.428 0 40 DGAB Cc1c(COC(=O)CCc2ccc(C#N)cc2)cccc1[N+](=O)[O-] 50874996 BXNGMAHLDIUGJV-UHFFFAOYSA-N 324.336 3.451 0 40 DGAB COc1ccc(C(C)=O)cc1CN1CCO[C@H]2CCCC[C@@H]21 51996224 KKNSJRABVKCQCR-WMZOPIPTSA-N 303.402 3.041 0 40 DGAB CCSc1ccc(NC(=O)NCc2csc(C)n2)cn1 58437882 GXYSVXOVYHOWKM-UHFFFAOYSA-N 308.432 3.280 0 40 DGAB O=S(=O)(NCc1cccc2ccccc12)c1cccs1 63764548 HCBYSHJGKBOPOL-UHFFFAOYSA-N 303.408 3.380 0 40 DGAB Fc1ccc(-c2cc3c(N4CCSCC4)nccn3n2)cc1 67284986 SQQFSPKOQOKPMX-UHFFFAOYSA-N 314.389 3.089 0 40 DGAB CCc1nc([C@H]2CCCN(C(=O)c3ccccc3Cl)C2)no1 67888506 QSJROEQSEXHFOI-NSHDSACASA-N 319.792 3.305 0 40 DGAB Cc1cccn2cc(CC(=O)NCc3ccc(Cl)s3)nc12 69329821 DJJSVFPOLKYXSS-UHFFFAOYSA-N 319.817 3.217 0 40 DGAB Cc1ccccc1C(C)(C)CNC(=O)c1c[nH]c(=O)c(Cl)c1 69350632 YUOPBSMIIZGQQZ-UHFFFAOYSA-N 318.804 3.044 0 40 DGAB Cc1cnn(C[C@H](C)NCc2nc(-c3ccsc3)oc2C)c1 69521620 XHAJLVJKXBFXCD-LBPRGKRZSA-N 316.430 3.395 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)c1 69628959 QSALTYOOLSWKMU-QGZVFWFLSA-N 323.396 3.290 0 40 DGAB Cc1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)oc1C 71824660 YESZSPQRZPHPPV-HNNXBMFYSA-N 314.385 3.400 0 40 DGAB CCN(C(=O)[C@@H](C)OC)[C@H](c1ccc(C)cc1)c1cccnc1 71903066 RRHPVYCUSCYLQO-CRAIPNDOSA-N 312.413 3.363 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc(Cl)o1 72234048 RBHMXTMNBXQPLP-LLVKDONJSA-N 307.781 3.261 0 40 DGAB CSCC[C@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 72238798 XUUWCESBSHNXCW-AWEZNQCLSA-N 305.399 3.243 0 40 DGAB CCc1nnc([C@H](C)N(C)Cc2cnn(-c3ccccc3)c2)o1 72558121 SPVFSSMKRHNPPP-ZDUSSCGKSA-N 311.389 3.011 0 40 DGAB Cc1cccc(-c2ccc(C(=O)N3CCCCCC3)c(=O)[nH]2)c1 75117409 AYEYADOBDILETE-UHFFFAOYSA-N 310.397 3.367 0 40 DGAB COc1ncc(C)cc1NC(=O)c1nc(Cl)ccc1Cl 76093554 BECYAYYFDKLGKJ-UHFFFAOYSA-N 312.156 3.353 0 40 DGAB CCCc1noc(CCCC(=O)N2C[C@H](C)c3ccccc32)n1 77216457 SMVWGLAWUJFASN-ZDUSSCGKSA-N 313.401 3.495 0 40 DGAB Cc1cnc([C@@H](C)NC(=O)N[C@@H]2CCOc3ccccc32)s1 78309481 FKRWSOUWTZTUBH-DGCLKSJQSA-N 317.414 3.336 0 40 DGAB Cc1ncc(CN2CCC[C@H](c3noc(C4CC4)n3)C2)s1 78890839 GREGXXLUBANQTP-LBPRGKRZSA-N 304.419 3.092 0 40 DGAB CCc1nc([C@H](C)NC(=O)N[C@@H](C)Cc2ccco2)cs1 78924854 GNSVKKRIYLHVNR-QWRGUYRKSA-N 307.419 3.290 0 40 DGAB O=C(Nc1ccncc1)[C@H]1CCCCN1Cc1ccc(F)cc1 80498723 DHLXDRKHXHFFQP-QGZVFWFLSA-N 313.376 3.214 0 40 DGAB CCOCc1ccc(NC2CCN(C(=O)OCC)CC2)cc1 89157898 BEHDZBNVTQYTLP-UHFFFAOYSA-N 306.406 3.256 0 40 DGAB CCc1onc(C)c1NC(=O)N[C@H]1CCc2cc(F)ccc21 89412964 NVLJBTOQFUXLBK-ZDUSSCGKSA-N 303.337 3.494 0 40 DGAB CC[C@H](C)c1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)on1 95424064 BUUDLNQXGTXPFW-SMDDNHRTSA-N 316.357 3.134 0 40 DGAB CN(C)c1ccccc1NC(=O)NCCC[C@H]1CCCCO1 95940607 PNZXFUVTISXIFT-CQSZACIVSA-N 305.422 3.223 0 40 DGAB Cc1ncc([C@H](C)N[C@H](C)COc2ccc(F)cc2)c(C)n1 95967391 NWGROKZJMITEEY-NEPJUHHUSA-N 303.381 3.351 0 40 DGAB CC[C@@H](C)OCC(=O)Nc1cncc(Br)c1Cl 95980708 FPCVZXCMOVCEMN-SSDOTTSWSA-N 321.602 3.251 0 40 DGAB CCCCN(C(=O)c1cnc2scc(C)n2c1=O)[C@@H](C)CC 95988762 DSHJAJKSZOQJOG-NSHDSACASA-N 321.446 3.105 0 40 DGAB C[C@@H]1CCC[C@@H](Cn2c(CS(C)(=O)=O)nc3ccccc32)C1 96005596 MFPDTEDPALZHKV-ZIAGYGMSSA-N 320.458 3.407 0 40 DGAB CCOC[C@@H]1CCC[C@]12CN(C(=O)c1sccc1C)CCO2 96160878 OGGACXGTGVSUIV-YOEHRIQHSA-N 323.458 3.104 0 40 DGAB COC[C@@H]1COCCC12CCN(Cc1ccc(C)s1)CC2 96206289 JLSLKTJAXWTGLI-OAHLLOKOSA-N 309.475 3.322 0 40 DGAB C[C@H](NC(=O)[C@@H]1CCCOC1)c1ccc(-c2ccncc2)cc1 96444842 GSELMMLKKJPGCS-KBXCAEBGSA-N 310.397 3.352 0 40 DGAB CCCOc1ccc(N2C(=O)C[C@H](Nc3ccccc3)C2=O)cc1 100883655 DZAXMHSIZFUEAF-KRWDZBQOSA-N 324.380 3.219 0 40 DGAB CC(C)/N=c1/ccccn1C(=O)Cc1c(F)cccc1Cl 102826902 NWTXAYQLUZQFPJ-CYVLTUHYSA-N 306.768 3.473 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103769142 MRDDKGSOAPBVGT-UMSGYPCISA-N 311.376 3.070 0 40 DGAB C[C@@H]1c2ccccc2CCN1CCc1nc2ccccc2c(=O)[nH]1 106862659 NDSWTNRXSQVDOE-CQSZACIVSA-N 319.408 3.085 0 40 DGAB Cc1cc([C@H]2CCCN(C[C@@H](O)c3ccccc3Cl)C2)n[nH]1 107505791 PRKSZJHTIRGYNU-SUMWQHHRSA-N 319.836 3.285 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1ccc(F)cc1 113960362 UFMLRMYHXLWMSF-OAHLLOKOSA-N 317.360 3.308 0 40 DGAB Cc1cnc(S[C@H](C)c2ccc(S(C)(=O)=O)cc2)nc1 189836711 ULHQPVIXBAACDH-LLVKDONJSA-N 308.428 3.042 0 40 DGAB C[C@H]1C[C@H](c2cccnc2)N(C(=O)CCC(=O)OC(C)(C)C)C1 192355507 VAVXDNXOFZNVCT-DZGCQCFKSA-N 318.417 3.113 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)C1(NC(=O)OC(C)(C)C)CC1 193030743 ZDZJITULMFZVCF-ZDUSSCGKSA-N 318.417 3.263 0 40 DGAB COc1ccccc1CCCNC(=O)[C@@H](C)Oc1ccccc1 219484819 AKMISQOWFZIZBH-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB COc1cccc(OCCNC(=O)c2ccc(C)cc2Cl)c1 225004486 ASTUFNAVEULOLK-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CCc1nc2ccc(NC(=S)NC[C@@H]3CCCO3)cc2s1 225207341 OHFMSSMQWNKRBC-NSHDSACASA-N 321.471 3.324 0 40 DGAB CCC[C@@H](C)NC(=O)CCc1nc(-c2cccc(F)c2)no1 225801210 AUTXQMOPFVKNBF-LLVKDONJSA-N 305.353 3.113 0 40 DGAB O=C(c1ccccc1F)N1CC[C@@H](N2CCc3ccccc3C2)C1 238811215 AIYNANIMJATURU-QGZVFWFLSA-N 324.399 3.099 0 40 DGAB CO[C@@H]1CC[C@@H](NC(=O)N[C@H](c2ccccc2)c2ccco2)C1 249024615 KUKGAHWTSVVQRS-BFYDXBDKSA-N 314.385 3.236 0 40 DGAB CC(C)Cc1ccc(C(=O)C2CCN(CCC(=O)O)CC2)cc1 252507923 WXEHKKUQZASBBS-UHFFFAOYSA-N 317.429 3.255 0 40 DGAB Nc1nccc([C@@H]2CCCCN2Cc2c(F)cccc2F)n1 257223293 DWRTWLULERAVIT-HNNXBMFYSA-N 304.344 3.064 0 40 DGAB CC(C)[C@@H]1OCCC[C@@H]1CNC(=O)Nc1ccn(C(C)C)n1 280647044 BTKAQDVWCKMZGA-HIFRSBDPSA-N 308.426 3.037 0 40 DGAB Cc1nc(NC(=O)N2[C@H]3CC[C@H]2COC3)ccc1-c1ccccc1 333825188 JVHUDDGYLLKOMQ-HOTGVXAUSA-N 323.396 3.452 0 40 DGAB Cc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc(C(=O)O)c1 450545688 ZXZHANDJCXBOIK-CQSZACIVSA-N 311.381 3.396 0 40 DGAB COCc1cc(Cl)ccc1NC(=O)N[C@@]12C[C@@H]1COC2(C)C 529124772 SXZLEYHDDLLUMB-BZNIZROVSA-N 324.808 3.175 0 40 DGAB CCN(CC)CCN1CCCC[C@@H]1c1nnc(C2CCC2)o1 583615173 NRQAHKUVIDFQRS-OAHLLOKOSA-N 306.454 3.206 0 40 DGAB CC[C@H](CO)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 584908778 GZIXZDYIATXJGX-CXAGYDPISA-N 301.361 3.050 0 40 DGAB COCCCCC(=O)Nc1ccc(-c2nc3ccccc3[nH]2)cn1 585124721 OTNCIYJQCUKBCR-UHFFFAOYSA-N 324.384 3.380 0 40 DGAB Cc1ncn(-c2ccc(OC(F)(F)F)c(Br)c2)n1 2362803568 LKFYUADZBUUMOC-UHFFFAOYSA-N 322.084 3.237 0 40 DGAB Clc1ccc([C@@H]2C[C@H](c3ccccc3)Nc3nnnn32)cc1 113668 BPSAFOAGAPTQHS-CABCVRRESA-N 311.776 3.473 0 40 DGAB O=C(CSc1ccccc1)N1CCC(n2cccc2)CC1 170750 PLPBOIWVLDBLOW-UHFFFAOYSA-N 300.427 3.444 0 40 DGAB O=C(NC(=S)Nc1cccnc1Cl)c1ccc(F)cc1 248611 YQWPGAHESDWAMO-UHFFFAOYSA-N 309.753 3.001 0 40 DGAB c1ccc(Cn2c(C[n+]3ccccc3)nc3ccccc32)cc1 792401 ZTQPQILBDNYONT-UHFFFAOYSA-N 300.385 3.420 0 40 DGAB COc1cc(NC(=O)c2sccc2C)cc(OC)c1OC 2621664 RWYFAHUCODKOLL-UHFFFAOYSA-N 307.371 3.335 0 40 DGAB Cc1cccn2cc(CNC(=O)CCCc3ccccc3)nc12 2960827 XCMNBKUSGAUVFI-UHFFFAOYSA-N 307.397 3.282 0 40 DGAB CC(=O)c1ccc(NC(=S)N2CCn3cccc3[C@@H]2C)cc1 3358002 BBNKAHKYPPRULB-LBPRGKRZSA-N 313.426 3.464 0 40 DGAB O=C(OCC(=O)c1ccc[nH]1)c1ccc(-c2ccc(O)cc2)cc1 4562790 VCSMSIMQHOVAGF-UHFFFAOYSA-N 321.332 3.427 0 40 DGAB CCN(CC)CCN(C(=O)C1CC1)c1nc2ccccc2s1 4585314 RDGNOWPRJYRHSJ-UHFFFAOYSA-N 317.458 3.381 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C/c2cccc(OC)c2O)C1=O 6390826 XTSAAJVTMVDWSH-YXYQAXARSA-N 307.371 3.236 0 40 DGAB CCOc1ccc(-c2nnc(NC(=O)c3ccco3)s2)cc1 6727297 PGQHERICPRXIAM-UHFFFAOYSA-N 315.354 3.449 0 40 DGAB CC(=O)Nc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1 7885981 PFNBAOQECHKZOB-SFHVURJKSA-N 321.380 3.374 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc(=O)c2ccccc2o1 8772170 MJMPQVNZZZIKDZ-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB CN(C)[S@@](=O)(=NC(=O)c1ccccc1)c1ccc(Cl)cc1 12564735 UAHFFXKVUCAADS-NRFANRHFSA-N 322.817 3.484 0 40 DGAB O=c1oc2ccc(Cl)cc2n1CCOc1ccc(F)cc1 12980416 SKQFSWHRXUFHBY-UHFFFAOYSA-N 307.708 3.466 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)Nc3ccccc3O)c12 14815319 FTFJSUBNRVDLHZ-UHFFFAOYSA-N 322.368 3.112 0 40 DGAB c1cc(CNc2ccc(Cn3cnnc3)cc2)c2cc[nH]c2c1 15423558 PLNIHTNKKGMNKK-UHFFFAOYSA-N 303.369 3.420 0 40 DGAB O=C(c1ccccc1)N1[C@H]2CC[C@H](C2)N1C(=O)c1ccccc1 17969407 DVOFIXKNLVBNET-CALCHBBNSA-N 306.365 3.121 0 40 DGAB COc1ccc(OC)c(NC(=O)CCc2ccccc2F)c1 19164028 VBFXKPSJKXRXOK-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB CCCC12CN3CC(C)(CN(C1)C3c1ccc(CC)cc1)C2=O 19323321 YFANOIYJIMRHQM-UHFFFAOYSA-N 312.457 3.254 0 40 DGAB biogenic CC(=O)N1CCCC[C@@H]2[C@H]1CCN2Cc1ccc(C)c(C)c1 19712477 YLJAAVBUAZIDHI-RTBURBONSA-N 300.446 3.279 0 40 DGAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)C1CCNCC1 20010848 ZFCDJBFOKKRXMZ-UHFFFAOYSA-N 306.715 3.297 0 40 DGAB CCCOc1ccccc1NC(=O)CCNC(=O)OC(C)(C)C 22355448 KHHJYMNEROUJDE-UHFFFAOYSA-N 322.405 3.329 0 40 DGAB CCN(C(=O)c1nn(-c2ccccc2)nc1C)c1ccc(F)cc1 23323562 IMVGCFGLAMFIHW-UHFFFAOYSA-N 324.359 3.382 0 40 DGAB CN(Cc1ccc(Cl)s1)CN1C(=O)c2ccccc2C1=O 24045511 DZCFRVGPAGLTLE-UHFFFAOYSA-N 320.801 3.087 0 40 DGAB O=C(NCc1ccc(Cl)s1)c1ccc2c(c1)OCCO2 25522308 OVDYGZVOYPTOGR-UHFFFAOYSA-N 309.774 3.103 0 40 DGAB Cc1ccsc1CNC(=O)N1CCN(c2ccccc2)CC1 26177899 VIIIHYMTSHDGEG-UHFFFAOYSA-N 315.442 3.088 0 40 DGAB O=C1/C(=C/c2cc3c(cc2[N+](=O)[O-])OCO3)Cc2ccccc21 28498262 QVOOZENWKGAPOC-WUXMJOGZSA-N 309.277 3.146 0 40 DGAB CNC(=S)Nc1ccc(-n2nc(C(F)(F)F)cc2C)cc1 28579850 IZRFBDDAFHNRTN-UHFFFAOYSA-N 314.336 3.116 0 40 DGAB COc1ccc(CCNC(=O)c2c[nH]nc2-c2ccccc2)cc1 29001316 VHEGQFTUHDHCJV-UHFFFAOYSA-N 321.380 3.058 0 40 DGAB CCc1noc(CSc2nnc3sc4ccccc4n23)n1 29139108 WBPFGNIJOOBBIQ-UHFFFAOYSA-N 317.399 3.182 0 40 DGAB Cc1ccccc1SCC(=O)N1CCn2c1nc1ccccc12 30793315 WRIYGPNLRBGHAA-UHFFFAOYSA-N 323.421 3.484 0 40 DGAB O=S(=O)(Nc1cncc(Cl)c1)c1ccc(Cl)cc1 32611420 HIFBJTQICYYCGD-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB Cc1cc(C)c2[nH]c(C)c(CCNC(=O)c3ccncc3)c2c1 32611466 NUIZXCLAMIWZGE-UHFFFAOYSA-N 307.397 3.461 0 40 DGAB COC[C@@H](C)NC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 32903254 SBKMXNYZJIAAMI-VHODGJRUSA-N 319.348 3.463 0 40 DGAB O=C(CSC(F)(F)F)Nc1cc2c(cc1Cl)OCO2 33162846 IHWQRKPPBVXUCV-UHFFFAOYSA-N 313.684 3.260 0 40 DGAB CCOC(=O)C[C@H](O)c1ccc(OCc2ccccc2)cc1 34758894 JLOHCJGAMMDPLV-KRWDZBQOSA-N 300.354 3.252 0 40 DGAB CCCc1nnc2sc(NC(=O)CCC3CCCC3)nn12 35511174 PZQYPUVQPHJYHG-UHFFFAOYSA-N 307.423 3.047 0 40 DGAB CCOCCCNC(=O)c1c(C)noc1-c1ccc(Cl)cc1 35681735 YITKYEGBNQYPIF-UHFFFAOYSA-N 322.792 3.460 0 40 DGAB Cc1ccc(NCCCNC(=O)N[C@@H](C)c2cccs2)nc1 40139465 DVAGZHHMMYDZEI-ZDUSSCGKSA-N 318.446 3.314 0 40 DGAB Cc1ccc(OCCSc2nnc3n2CCCCC3)cc1 40159036 YBAVTRIPLSBEBB-UHFFFAOYSA-N 303.431 3.484 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@@H]21 41907290 YGVHLGWIBPQMQF-MJEQTWJJSA-N 303.450 3.007 0 40 DGAB CCOC(=O)c1csc(NC(=O)CCCc2ccccc2)n1 42215273 HMRDDCGEEOCEBA-UHFFFAOYSA-N 318.398 3.281 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CCO1 43727352 ZYYNKBODFRXOBE-CYBMUJFWSA-N 312.413 3.298 0 40 DGAB CSCc1cccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)c1 44941259 ZQHZRMQJORWJOQ-AWEZNQCLSA-N 305.443 3.191 0 40 DGAB Cc1noc(CCCC(=O)N2CCC[C@@H]2c2ccsc2)n1 46914466 CXZFTNRJTHHQQS-CYBMUJFWSA-N 305.403 3.126 0 40 DGAB COC(=O)Nc1cccc(NC(=O)NCCc2ccccc2)c1 47710685 FTTNBDHVEOPCTD-UHFFFAOYSA-N 313.357 3.229 0 40 DGAB OC1=Nc2c(cnn2Cc2ccccc2)[C@H](c2cccnc2)C1 49550361 GPMNLDGYQLGKGG-HNNXBMFYSA-N 304.353 3.450 0 40 DGAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1cccs1 55966686 LYCNFNZJHKURIS-LBPRGKRZSA-N 303.383 3.400 0 40 DGAB O=C(NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)c1cccs1 58200771 JEAXXBYCIANJRY-NSHDSACASA-N 322.380 3.283 0 40 DGAB O=C(CCCOc1cccc2ccccc12)Nc1c[nH]ccc1=O 58358141 IFRFTNYQWYXYKO-UHFFFAOYSA-N 322.364 3.326 0 40 DGAB Cc1oc(-c2ccccc2)nc1CCNC(=O)c1ccccc1O 58428265 OCEKDVXTJUAKIY-UHFFFAOYSA-N 322.364 3.328 0 40 DGAB Cc1ccc(Nc2nc(NCc3ccco3)nc3n[nH]nc23)cc1 62022648 LIJYQNHCSWIYKI-UHFFFAOYSA-N 321.344 3.005 0 40 DGAB COc1cccc(CC(=O)Nc2cccc(-c3noc(C)n3)c2)c1 64329790 QKUYROKRTHWELP-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB Cc1ccc(CNC(=O)N2CCC[C@@H]2c2ccsc2)n1C 65446451 MHUAKJMKEPLPBJ-OAHLLOKOSA-N 303.431 3.442 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)c2c[nH]c3ccccc23)no1 65568037 NLJXIVQOULFXIZ-KRWDZBQOSA-N 309.369 3.484 0 40 DGAB C[C@H]1c2ccsc2CCN1Cn1nc(C(C)(C)C)ccc1=O 66792200 KVFUSOSTMLTCAG-LBPRGKRZSA-N 317.458 3.179 0 40 DGAB Cc1noc(Cl)c1CC(=O)NCCSCc1ccccc1 69349633 GOTJJZCAPVQJEM-UHFFFAOYSA-N 324.833 3.229 0 40 DGAB CNC(=O)c1cc(NC(=O)C[C@H](C)n2cccc2)ccc1Cl 69622875 SNEKGGGEJITLGK-NSHDSACASA-N 319.792 3.091 0 40 DGAB Cc1cc(NC(=S)Nc2cccc(C(N)=O)c2)ccc1F 71326128 SVWJIACJEXSVMG-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB C[C@H](C(=O)Nc1ccccc1N(C)c1ccccc1)n1cncn1 71903445 MMRFGVOMZMUKQD-CQSZACIVSA-N 321.384 3.246 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCCC[C@H]2c2ccccn2)cc1 72211003 LDKSNHAVAXYIDM-KRWDZBQOSA-N 316.426 3.306 0 40 DGAB CC1CCN(S(=O)(=O)c2cccc(COC(C)C)c2)CC1 72264812 MCDIVARBDWVFOY-UHFFFAOYSA-N 311.447 3.032 0 40 DGAB O=C(NC[C@@H]1COc2ccccc21)C12CC3CC(CC(C3)C1)C2 74913639 PJKFBJSNPUEKOE-FYMRZPMTSA-N 311.425 3.495 0 40 DGAB O=C(NCc1ccc(Cl)cc1Cl)[C@H]1CSCCS1 75567885 BIPKWSHTFKZQCK-LLVKDONJSA-N 322.282 3.458 0 40 DGAB C[C@H](c1cccnc1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 76021557 RPVQSEXFCXTHPU-CQSZACIVSA-N 321.384 3.492 0 40 DGAB C[C@](O)(CNC(=O)c1cc2cccc(F)c2o1)c1cccs1 76084459 PPROPPOJNZSWOQ-INIZCTEOSA-N 319.357 3.271 0 40 DGAB CC[C@@H](NC(=O)N[C@H](C)c1ccncc1)c1nc(C)cs1 78518457 SVVMLMUGJKATAZ-DGCLKSJQSA-N 304.419 3.358 0 40 DGAB Cn1cc(NC(=O)[C@H]2C[C@@H]2c2ccccc2C(F)(F)F)cn1 78604173 AKCODCZVAXSFMB-NEPJUHHUSA-N 309.291 3.181 0 40 DGAB CN(C)Cc1cc(CNC(=O)c2cccc(Cl)c2)ccc1F 78735203 OHRPFNQGJUSCLG-UHFFFAOYSA-N 320.795 3.471 0 40 DGAB CCOC(=O)[C@H](C)N(C)C(=O)c1cc2c(s1)CCCCCC2 79095040 FYJLJZMQNUOGIA-LBPRGKRZSA-N 323.458 3.431 0 40 DGAB C[C@H](c1cccnc1)N1CCN(Cc2cccnc2Cl)CC1 84661136 PLDJABRFIZTTBZ-CQSZACIVSA-N 316.836 3.009 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc2C1)c1cc2ccccc2o1 85559855 GGDBVWTXBFNSQW-HXUWFJFHSA-N 321.376 3.083 0 40 DGAB COC(=O)c1ccc([C@H](C)N2CCO[C@@H](c3ccc(C)o3)C2)o1 89266692 WUAJKNNCYMKXNV-BLLLJJGKSA-N 319.357 3.102 0 40 DGAB O=C(c1ccc2ccc(Cl)cc2n1)N1CCCC[C@@H]1CCO 90164565 ZJXDFCJRWUVDJD-CQSZACIVSA-N 318.804 3.265 0 40 DGAB c1ccc2c(c1)CC[C@@H]2NCc1ccnc(O[C@@H]2CCOC2)c1 90954241 UZNNTYNTDBESKI-AEFFLSMTSA-N 310.397 3.026 0 40 DGAB c1ccc(-c2nccc(NCc3nnc4n3CCCCC4)n2)cc1 95350235 OGJAXLMQPSQBRR-UHFFFAOYSA-N 320.400 3.074 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccoc2C)C[C@@H]1Cc1ccccc1 96110157 QLVWEQDZRCFUMK-FUHWJXTLSA-N 313.397 3.308 0 40 DGAB CO[C@](C)(CNC(=O)NCc1cccs1)c1ccccc1F 96123655 JZZBYYFCEZFXOQ-MRXNPFEDSA-N 322.405 3.248 0 40 DGAB CN1CCN(C(=O)c2ccc(Oc3ccccc3Cl)o2)CC1 96183868 IIWANZCSNBELFE-UHFFFAOYSA-N 320.776 3.113 0 40 DGAB c1cc(CN2CC[C@]3(CCC[C@H](CN4CCCC4)O3)C2)cs1 96208150 GNBJYPUNZQPLMQ-QZTJIDSGSA-N 320.502 3.358 0 40 DGAB COc1cccc([C@@H](CNC(=O)/C=C/c2ccsc2)OC)c1 96390094 JBVBSSJRMWNTBW-FYCOFBDGSA-N 317.410 3.274 0 40 DGAB CCC(=O)Nc1cccc(C(=O)N2CCS[C@H](C(C)C)C2)c1 96432248 PXKNDAJIPSPIDO-HNNXBMFYSA-N 320.458 3.249 0 40 DGAB C[C@H](NCc1nc(C2CC2)no1)c1ccc(-c2cncnc2)cc1 96492206 MWCHVMAWSKYANG-LBPRGKRZSA-N 321.384 3.255 0 40 DGAB CSc1ccc(NC(=O)[C@@H](C)N[C@@H](C)c2ccncc2)cc1 97084039 BZIXENADTDHBAX-QWHCGFSZSA-N 315.442 3.481 0 40 DGAB CN(Cc1nccs1)c1nnc(Cc2ccccc2)s1 97085980 FGRGTCIGSSUZPC-UHFFFAOYSA-N 302.428 3.222 0 40 DGAB COc1cccc([C@H]2C=C(c3ccccc3)Nc3ncnn32)c1 100994381 WYQSVMRCNZXJDB-QGZVFWFLSA-N 304.353 3.343 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCO[C@@H](c2ccc(F)cc2)C1 106832835 YMXPDSNMTUSPFW-ZMSDIMECSA-N 315.344 3.122 0 40 DGAB CC(C)OCCC[S@@](=O)c1cccc(Br)c1 195579594 ZBQNJMLESHZYHJ-MRXNPFEDSA-N 305.237 3.372 0 40 DGAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1cccc(Cl)c1 216953738 WESFOWSYIUVRSM-UHFFFAOYSA-N 312.756 3.391 0 40 DGAB CCOc1nc(C)c(NC(=O)Cc2ccc(Cl)cc2)c(C)n1 224335276 KUFRYXSOTQLSBN-UHFFFAOYSA-N 319.792 3.327 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccc(-c2nc3ccccc3[nH]2)cc1 225254940 CJZDALNAKJLTDG-OAHLLOKOSA-N 321.380 3.139 0 40 DGAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1cccs1 225584755 LZAXYZHSKQRAHE-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB O=C(NCCc1ccccc1)NCc1ccnc(-c2ccco2)c1 225657696 KCFJTPQPGAGQRV-UHFFFAOYSA-N 321.380 3.384 0 40 DGAB Cc1ccccc1CSc1nnc(Cc2ccccc2C)n1N 226299305 DOWGOYLGZNJTAK-UHFFFAOYSA-N 324.453 3.492 0 40 DGAB CN(C)[C@H](CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccs1 245264215 CAZNOBGEIPLBKJ-XDQVBPFNSA-N 323.531 3.004 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257302592 SDMOHWOVBKQLSF-LBPRGKRZSA-N 301.415 3.246 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(F)ccc3F)C2)n1 257310973 UHKJPKMCCTXJBS-LLVKDONJSA-N 305.328 3.016 0 40 DGAB C[C@H]1CNCC[C@]1(O)Cc1cc(Cl)ccc1Br 379841156 BSHWRFXOUAQTAK-ZANVPECISA-N 318.642 3.006 0 40 DGAB O=C(O)c1cn(Cc2ccc(F)cc2Cl)nc1C(F)F 408717443 AJNAFTVLAQBVFZ-UHFFFAOYSA-N 304.655 3.360 0 40 DGAB Cc1nc2cc(C(=O)N3CCOC[C@H]3CC3CCC3)ccc2o1 515326050 PPHKLMPLNUVTSJ-OAHLLOKOSA-N 314.385 3.167 0 40 DGAB Cc1sc(C(=O)O)cc1CN1CC[C@@H](c2cccnc2)C1 574763136 KIQBMFDXYACGAD-CYBMUJFWSA-N 302.399 3.139 0 40 DGAB CC(C)[C@H](SCCn1cccn1)C(=O)N1CCCC[C@@H]1C 585118493 QUJVUZMZEUUNNQ-GJZGRUSLSA-N 309.479 3.042 0 40 DGAB C=CC(=O)N1CCC[C@H](c2csc(Nc3ccccn3)n2)C1 585293115 XEANSYHTBFOEGI-LBPRGKRZSA-N 314.414 3.174 0 40 DGAB O=C(NCC1(c2ccsc2)CC1)c1ccc2nsnc2c1 1888947717 DBEOYKJNYZQMAI-UHFFFAOYSA-N 315.423 3.214 0 40 DGAB CCC(=O)NCCc1nc2ccccc2n1Cc1ccccc1C 201022 XLGODMJPCOJJBI-UHFFFAOYSA-N 321.424 3.462 0 40 DGAB O=C(Cn1nnc2ccccc21)Nc1ccc(Cl)c(Cl)c1 411403 JAAWHJMZPKYKOP-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB CSc1nnc(-c2cccc(NC(=O)c3ccccc3)c2)n1C 543080 LQEIQESQQCQWIC-UHFFFAOYSA-N 324.409 3.456 0 40 DGAB CCOc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1 3403190 VMGDAOKOLWKORD-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CCn1c(C)nc2cc(C(=O)OCCC(F)(F)F)ccc21 4057912 XUFVNOALQNDDRB-UHFFFAOYSA-N 300.280 3.474 0 40 DGAB C[C@H]1CN1C(=O)Nc1cccc2c(NC(=O)N3C[C@@H]3C)cccc12 4720978 NYKKLLVRAIGAAC-VLQRZLKFSA-N 324.384 3.312 0 40 DGAB COc1ccc(NC(=O)C[S@@](=O)c2ccccc2Cl)cc1 5210763 NEOAMWWFRUIBEX-NRFANRHFSA-N 323.801 3.095 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)NCc1ccc(F)cc1 5341525 JMAMUYBYHQKWNM-UHFFFAOYSA-N 307.752 3.483 0 40 DGAB CCCc1cc(=O)[nH]c(Nc2ccc(C(=O)OC(C)C)cc2)n1 5625383 HCYNWJIRJAOBOW-UHFFFAOYSA-N 315.373 3.031 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2)cc1 6314526 WTZLQRKTASYSDR-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB Fc1ccc(-n2nnnc2Cc2ccccc2Cl)c(F)c1 6668592 OZNNZZAREZGOOY-UHFFFAOYSA-N 306.703 3.185 0 40 DGAB O=C(COc1ccc(F)c(Cl)c1)NCCc1cccs1 7757331 YRRQBNJSVGXZLU-UHFFFAOYSA-N 313.781 3.278 0 40 DGAB O=C(Nc1ncc(Cl)cc1Br)c1ccco1 8873544 ODNQAPHAQGYMPE-UHFFFAOYSA-N 301.527 3.343 0 40 DGAB COC(=O)c1occc1/C=C1\C(=O)Nc2ccc(Cl)cc21 9255517 GPJPOOYFGXLZCZ-WDZFZDKYSA-N 303.701 3.212 0 40 DGAB Brc1cc2c(cc1CNCc1ccco1)OCO2 9377870 WBJLRRODROOGOP-UHFFFAOYSA-N 310.147 3.061 0 40 DGAB CCc1ccc(NC(=O)[C@H](C)Sc2nnc(CC)[nH]2)cc1 11711633 NXHPUHRUXIXAGN-JTQLQIEISA-N 304.419 3.049 0 40 DGAB CN(C)c1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 12596026 QLDMEOVNDOFPEL-UHFFFAOYSA-N 323.396 3.132 0 40 DGAB Cc1csc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)n1 12804606 LQJHBUNVALVJGC-UHFFFAOYSA-N 314.370 3.426 0 40 DGAB O=C(O)[C@H]1CCCN(C(=O)c2cc(-c3ccccc3)cs2)C1 13260696 JGLFDGUKDKEHPW-ZDUSSCGKSA-N 315.394 3.352 0 40 DGAB CN(C)c1cccc(C(=O)NCc2ccccc2OC(F)F)c1 14127254 JOQKKZJRWWOPKA-UHFFFAOYSA-N 320.339 3.284 0 40 DGAB CC(C)c1nnc(SCCCOc2cccc(C(=O)O)c2)o1 15418588 PTXFURKOFSOCPV-UHFFFAOYSA-N 322.386 3.452 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)OCc1ccc(C(N)=O)cc1 16817919 XKLDETYRMYRRGD-GFCCVEGCSA-N 315.394 3.010 0 40 DGAB O=C(CCc1ccccc1O)NCCSc1ccccc1 18214588 FOBPDIMAFSFLTI-UHFFFAOYSA-N 301.411 3.233 0 40 DGAB Cc1csc2c(C3CCN(C(=O)C4CC4)CC3)nc(C)n12 19240535 NEBQEXIXUZYELQ-UHFFFAOYSA-N 303.431 3.129 0 40 DGAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@@H](C)C3 20632330 MQWXXUXWSZDMNJ-JTQLQIEISA-N 304.419 3.028 0 40 DGAB Cc1cccc(OCCNC(=O)CSc2ccccc2)c1 21785601 VVSKDMUKRUUCJU-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB COc1ccc(Nc2nc(N3CCCCC3)nc3[nH]ncc23)cc1 23135997 VUGVSQLVQWKERT-UHFFFAOYSA-N 324.388 3.095 0 40 DGAB O=C(NCc1cccnc1)c1ccc(COc2ccccc2)o1 23979586 YDRULXPYOZIWBZ-UHFFFAOYSA-N 308.337 3.184 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1)c1ccccc1F 24837624 LJMRVMXSLOEMPD-SFHVURJKSA-N 323.371 3.008 0 40 DGAB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@H]1c1ccccc1 24991372 FTKXGTMFTTYYNN-INIZCTEOSA-N 316.401 3.246 0 40 DGAB CCOc1ccc(-c2cc(C(=O)Nc3cccnc3)no2)cc1 27580047 UVCUYICDCSUFDN-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cnn(C)c1 27919544 PQODYOUKTXUCSV-SECBINFHSA-N 312.295 3.322 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1nnc(C2CCCCC2)s1 28227405 ZEZYMOQGPDARMG-UHFFFAOYSA-N 319.434 3.188 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@@H]1CC(c2ccccc2)=NO1 33149999 CNGKOFJLBQOSHE-KRWDZBQOSA-N 308.337 3.021 0 40 DGAB CS[C@H](C)C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 33231171 JAFQQUBIDQQSJD-LLVKDONJSA-N 303.431 3.020 0 40 DGAB Cc1ccc(C)c(NC(=S)NCc2cccnc2N(C)C)c1 36845820 WZQDSXNFWWJJJV-UHFFFAOYSA-N 314.458 3.251 0 40 DGAB COc1ccc(C(N)=O)c(OCc2coc(-c3ccccc3)n2)c1 39663054 XHNRXJRXWAGQFX-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB COc1ccc([C@H](NC(=O)c2cc(C3CC3)on2)C2CC2)cc1 40485452 QSNDZYFAKKOYOS-QGZVFWFLSA-N 312.369 3.442 0 40 DGAB CC[C@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646441 FHRCXFMJWRIPBZ-ZETCQYMHSA-N 322.714 3.212 0 40 DGAB C[C@H](Nc1ccccc1)c1ccc(S(=O)(=O)N(C)C)cc1 44493767 DZAWJZWXFLPVCU-ZDUSSCGKSA-N 304.415 3.110 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(Cl)cc1F 44913230 ZKEPMAPHSNHXLC-MRVPVSSYSA-N 316.760 3.331 0 40 DGAB COc1cccc(C(=O)NCCCCN2C[C@H](C)C[C@@H](C)C2)c1 47038479 RQZRQDRWGILPMV-HZPDHXFCSA-N 318.461 3.183 0 40 DGAB Cc1csc(=O)n1CCN1CCC[C@@H]1CCc1ccccc1 48251938 PQFMHRZBPCURKU-QGZVFWFLSA-N 316.470 3.315 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)CCc2ccco2)cc1F 48265742 OWTYMZRJACAINW-GFCCVEGCSA-N 305.349 3.107 0 40 DGAB Cc1cc(C)n(-c2ccc(CNCc3ccc(F)cc3)cn2)n1 48742364 DLHWYCXPOWUXCP-UHFFFAOYSA-N 310.376 3.313 0 40 DGAB COc1cccc(CN(C)C(=O)c2sc(C)nc2C)c1OC 49939819 BBGXECKAWCIFTA-UHFFFAOYSA-N 320.414 3.049 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N(C)c2ccc(F)cc2)c(C)c1 51356851 QNNSBGUQWMPLPM-UHFFFAOYSA-N 315.344 3.262 0 40 DGAB O=C(c1cccc2cccnc12)N1CCc2ccc(O)cc2C1 52865659 VVFGADHCOZWKCJ-UHFFFAOYSA-N 304.349 3.139 0 40 DGAB Cc1c(C(=O)N(C)C2CCN(C)CC2)oc2c(C)cccc12 53058711 UNPVHWWRCWFUHQ-UHFFFAOYSA-N 300.402 3.216 0 40 DGAB Cc1oc(-c2cccs2)nc1C(=O)N1CCO[C@@H]2CCC[C@H]21 53384737 RWGIXUSOOINRLK-VXGBXAGGSA-N 318.398 3.105 0 40 DGAB Cc1noc(C2CCN(Cc3ncc(C(C)(C)C)o3)CC2)n1 53639455 QLQBVLMYTMPQNX-UHFFFAOYSA-N 304.394 3.043 0 40 DGAB CN1c2ccccc2C(=O)N[C@H]1c1csc(-c2ccccn2)n1 54680867 IBNBWIGPKNUSGQ-OAHLLOKOSA-N 322.393 3.084 0 40 DGAB O=C(CSCc1ccccc1F)NCCc1ccccc1 57679905 QKRCXBSYCGEHJB-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB O=C(CC1CCCC1)NC1CCN(Cc2ccc(F)cc2)CC1 58407577 ABMMCQLGOQLSGR-UHFFFAOYSA-N 318.436 3.487 0 40 DGAB Brc1ccc(CN2CCCN3CCC[C@@H]3C2)cc1 60079752 VTYAERNNICBBRO-OAHLLOKOSA-N 309.251 3.119 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@@H]1C1CCCC1 65488428 GLZRNPFOICLVTP-MRXNPFEDSA-N 310.401 3.062 0 40 DGAB O=C(c1cc2ccccc2[nH]c1=O)N1CCC[C@@H]1C1CCCC1 65488475 IEYREXIVJUDMQK-QGZVFWFLSA-N 310.397 3.323 0 40 DGAB c1cc(-c2nnc3sc(-c4cc(C5CC5)[nH]n4)nn23)cs1 66088299 QTEUDHPPNNFBOD-UHFFFAOYSA-N 314.399 3.182 0 40 DGAB CN(C(=O)C1CC1)[C@@H](c1cccnc1)c1ccc(F)cc1F 69581356 HXNULIRKOYSNHZ-INIZCTEOSA-N 302.324 3.318 0 40 DGAB Cn1ccnc1SC[C@@H](O)c1ccc(Br)cc1 69900667 HNZJVKQLEBJADI-LLVKDONJSA-N 313.220 3.008 0 40 DGAB Cc1cc(C(=O)N2CCCN(c3nccs3)CC2)c(C)s1 71830697 UDFAOCVKLIMFNC-UHFFFAOYSA-N 321.471 3.174 0 40 DGAB Cc1nc(Nc2nnc(C)s2)cc([C@@H]2CCCN2C(C)C)n1 72360157 WUKSFIKMVSXEGU-ZDUSSCGKSA-N 318.450 3.234 0 40 DGAB COc1ccc(/C=C/c2ncc(/C=C/C(=O)O)s2)cc1C#N 75106271 RPACFBIGGIUNSX-XOKGJFMYSA-N 312.350 3.292 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n[nH]1 76060110 WMRYCJJNFZBDMF-DOTOQJQBSA-N 309.413 3.154 0 40 DGAB CC[C@H]1CCCCN1C(=O)c1ccc(-c2ccccc2)[nH]c1=O 77912874 XRZQZQZQNTVMGQ-HNNXBMFYSA-N 310.397 3.447 0 40 DGAB COC(=O)CCC(=O)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F 78190818 WGRGIRRELMXTMA-LBPRGKRZSA-N 323.698 3.013 0 40 DGAB CC(C)(C)C(=O)NCC(=O)N(Cc1ccoc1)C1CCCCC1 78875089 HOZLQOVIZSVYRJ-UHFFFAOYSA-N 320.433 3.103 0 40 DGAB Cc1nc2cc(C(=O)N3CCO[C@H](c4ccccc4)C3)ccc2[nH]1 79487071 WVVOGMRFGVTDLU-SFHVURJKSA-N 321.380 3.085 0 40 DGAB O=C(c1cc(-n2cccc2)ccn1)N1CCCc2ccccc21 85472830 MLDBJAGFHQNIDG-UHFFFAOYSA-N 303.365 3.465 0 40 DGAB CCC[C@H]1CN(C(=O)Nc2cnn(CC(C)C)c2CC)CCO1 89274909 ZCNKXHIDYYTQKM-AWEZNQCLSA-N 322.453 3.134 0 40 DGAB CCc1ccsc1CNC(=O)N[C@H](C)C[C@@H](O)c1ccco1 95413616 MDUVESYOOZFATF-DGCLKSJQSA-N 322.430 3.215 0 40 DGAB COc1cc(C(=O)OCC2CCCCC2)ccc1OC(C)=O 95428592 IFBGIYCYXAXCIF-UHFFFAOYSA-N 306.358 3.358 0 40 DGAB Cc1[nH]c2c(C(=O)NCCCCCC(=O)O)cccc2c1C 95956895 FSPUDLKDDQOWMT-UHFFFAOYSA-N 302.374 3.160 0 40 DGAB COc1cccc(CN2CCOC[C@@H]2c2csc(C)n2)c1 96218587 FGMNUDAWSAAFIO-MRXNPFEDSA-N 304.415 3.034 0 40 DGAB CC(C)CN1CCC2(C=C(C(=O)N(C)C)c3ccccc32)CC1 96241598 DNUHVQYRBHFJLH-UHFFFAOYSA-N 312.457 3.161 0 40 DGAB O=C(C1CCC1)N1CC[C@@H](OCC2CC2)[C@@H]1Cc1ccccc1 96261343 LWGHDKHNJOZSAM-RBUKOAKNSA-N 313.441 3.425 0 40 DGAB CCCN(C)C(=O)Nc1ccc(OC2CCOCC2)c(C)c1 96416048 UDIRCSDKRBBVGC-UHFFFAOYSA-N 306.406 3.427 0 40 DGAB C[C@H](NC(=O)CCCOc1cccnc1)c1ccc(F)c(F)c1 96430485 CPYFNJMHLSVMDB-LBPRGKRZSA-N 320.339 3.396 0 40 DGAB CCCn1ccc2ccc(NC(=O)NCc3nccn3C)cc21 96435094 JXEBZLWRJSQAPG-UHFFFAOYSA-N 311.389 3.107 0 40 DGAB CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)Nc1c(C)nn(C)c1OC 96443127 AZEOPSQOABOTAT-YUTCNCBUSA-N 323.437 3.050 0 40 DGAB O=C(CO)Nc1cccc(NCc2ccc(Cl)c(F)c2)c1 96482861 OCHTXECMENFSQQ-UHFFFAOYSA-N 308.740 3.022 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2cccc(C)c2)c(C)c1 96658859 SJLACRXSRYBVLN-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB Cc1ncc(CNc2cc(CN(C)C)ccn2)n1-c1ccccc1 97045290 UMIAYJBVLPVCKD-UHFFFAOYSA-N 321.428 3.249 0 40 DGAB Cc1cccc(NC(=O)N2CCOC[C@H]2C)c1Br 97162607 YUJIJONNJZDRKW-SNVBAGLBSA-N 313.195 3.010 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)cc1C 102073069 BCPLDXUYTFDQDJ-MDOLAMBHSA-N 311.381 3.011 0 40 DGAB CO[C@@](C)(C(=O)Nc1cnn(-c2ccccc2)c1)c1ccccc1 106635367 WWJFBTUCTDGAMP-LJQANCHMSA-N 321.380 3.373 0 40 DGAB O[C@@H](COc1ccc(F)cc1)CN1CC[C@H](c2ccccc2)C1 106757588 QQCVWKKXEXZSFV-FUHWJXTLSA-N 315.388 3.055 0 40 DGAB C[C@H](C[C@@H](O)c1ccco1)NC(=O)NC[C@H](C)c1ccsc1 108106109 FZULUSGSOIJSDA-OUCADQQQSA-N 322.430 3.256 0 40 DGAB CC(C)c1nc2cc(NC(=O)N[C@H]3C[C@H]4CC[C@H]3O4)ccc2o1 110680994 VNUAXNSATMKTCW-KWCYVHTRSA-N 315.373 3.393 0 40 DGAB CO[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1Cl 121823352 KKFQWBBBGTVSMN-XVJNWHFHSA-N 305.761 3.450 0 40 DGAB C[C@H]1C[C@H](NCc2ccc(CS(C)(=O)=O)cc2)CC[C@H]1C 129036392 GKHHNHMTTRLLJF-JKIFEVAISA-N 309.475 3.146 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CNCc1ccc(CS(C)(=O)=O)cc1 134015982 RZOPONRKNVQZFV-CRAIPNDOSA-N 321.486 3.313 0 40 DGAB CN(c1ccc(F)c(Cl)c1)S(=O)(=O)c1cccs1 182845823 PJKPAISZLXEFQF-UHFFFAOYSA-N 305.783 3.366 0 40 DGAB COC(=O)c1cccc2c(C=O)cn(C(=O)OC(C)(C)C)c12 199741380 VZKPKNNNSLLRFR-UHFFFAOYSA-N 303.314 3.024 0 40 DGAB O=C(Cn1cccc1)N1CCS[C@@H](c2ccccc2F)CC1 219118091 MDJFJRHAFRWOSM-MRXNPFEDSA-N 318.417 3.334 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccccc2C)cc1C 225130286 RIISKUSJIADFQC-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccc(F)cc2)C1 225727750 PUGLPAVARNALLA-OKILXGFUSA-N 323.481 3.480 0 40 DGAB CCOc1ccc(NC(=O)[C@](C)(CC)OC)c2cccnc12 225882656 NCNSFEJXVZPNEB-KRWDZBQOSA-N 302.374 3.387 0 40 DGAB CCOc1ccc(NC(=O)COc2ccc(Cl)cc2)c(N)c1 226359024 YBEBKIJGWALWOQ-UHFFFAOYSA-N 320.776 3.338 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](C(F)(F)F)C2(CCC2)C1 252478091 ACZAZCYPYCNAQV-SNVBAGLBSA-N 304.337 3.338 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3ccc(F)cc3F)CC[C@@]2(C)C1 257313319 URWUNXHTSTZWSY-VMGRFDJRSA-N 309.356 3.385 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3cc(F)ccc3F)CC[C@@]2(C)C1 257316286 VEYCHEQFZAOREY-VMGRFDJRSA-N 309.356 3.385 0 40 DGAB O=C(c1ccc2cc[nH]c2n1)N1CCC(Cc2cccnc2)CC1 329272887 ITOHPVXGYNYTQJ-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB COc1cccc(C(=S)NCc2ccc(C)cc2)c1OC 408576201 VUTLNAOOSZRTTB-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(C)ccc21 408713187 NLDDZUXEDAXOFC-UHFFFAOYSA-N 300.402 3.106 0 40 DGAB Cc1cc2c(c(=O)n1C)[C@H](c1cccc3ccccc13)CC(=O)O2 524734538 PHUGBHYACJGRSW-INIZCTEOSA-N 319.360 3.288 0 40 DGAB COC(=O)CCc1c(C)nc(-c2ccc(OC)cc2)nc1Cl 584904604 QZBKRHDYZJUZRF-UHFFFAOYSA-N 320.776 3.220 0 40 DGAB O=C(CSC[C@H]1CCCCO1)OCc1cc(Cl)ccn1 584907822 SCGRRHWRXTZBRZ-CYBMUJFWSA-N 315.822 3.081 0 40 DGAB Cc1cn2c(CNCCCO[C@@H]3CCCCO3)c(C)nc2s1 585118236 HXMJGHJNMSFDFE-OAHLLOKOSA-N 323.462 3.036 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)c1ocnc1C(F)(F)F 585141046 OQATZVDSOSSMOJ-UHFFFAOYSA-N 310.275 3.155 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Cl)cc1Br 1083806945 BXSZMGPJPHCSQR-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB c1ccc(CN=c2cc(C3CCOCC3)nc(C3CC3)[nH]2)cc1 1888875900 DLULSKBSEBQRSU-UHFFFAOYSA-N 309.413 3.282 0 40 DGAB CN(c1nc2ccc(Cl)cc2o1)C1CN(c2ccccn2)C1 1889186634 FWUZDOLDUYKXLU-UHFFFAOYSA-N 314.776 3.201 0 40 DGAB CCNC(=O)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1889917150 DHFJSXLOKUNJEZ-UHFFFAOYSA-N 318.808 3.192 0 40 DGAB CC(C)C(=O)Nc1ccc(-c2nc3ccccc3c(=O)o2)cc1 89117 CEYYMKAFNNDWMD-UHFFFAOYSA-N 308.337 3.450 0 40 DGAB biogenic O=C(CCc1ccccc1)Nc1nnc(C(F)(F)F)s1 268388 VNAOPXCFPWSPIP-UHFFFAOYSA-N 301.293 3.128 0 40 DGAB Cc1ccc(OCC(=O)NCc2ccco2)c(Br)c1 577754 SKEXYLQDCJSDMK-UHFFFAOYSA-N 324.174 3.046 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)Nc1ccc2c(c1)OC(C)(C)O2 47551998 RSBYCDJTWDJUHO-GFCCVEGCSA-N 320.389 3.084 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccc2OC2CCCC2)CCO1 47600294 RHXDRYOQQRUEKH-ZDUSSCGKSA-N 304.390 3.261 0 40 DGAB COc1ccc(C)cc1[C@@H](C)NC(=O)c1ccc2[nH]cnc2c1 12530678 CEIMHAXJCQBKGQ-GFCCVEGCSA-N 309.369 3.371 0 40 DGAB Cc1ccccc1OCC(=O)NCCc1ccc(Cl)cc1 3606581 OEVHXTRSXFAQIV-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB C[C@@H](c1ccc(F)cc1)N1CCN(c2ccccc2O)CC1 23654122 KXHCJHSDBOVGOC-AWEZNQCLSA-N 300.377 3.415 0 40 DGAB O[C@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 23709399 LEODGPWOQOXXSW-LBPRGKRZSA-N 311.410 3.319 0 40 DGAB COc1ccc(CN(C)[C@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 23814453 VJWPBACGWJXCST-CYBMUJFWSA-N 323.396 3.125 0 40 DGAB O=C(O)C1CCC(CNc2cc(=O)oc3ccccc23)CC1 4487879 OSGLECOTWMIJLC-UHFFFAOYSA-N 301.342 3.096 0 40 DGAB O=C(N[C@@H]1CCOc2ccccc21)c1ccc(-n2ccnc2)cc1 24050246 DGSGKLCRXQNSSF-QGZVFWFLSA-N 319.364 3.126 0 40 DGAB CCOC(=O)[C@@H](CC)[C@]1(C)NN=C(c2ccc(C)cc2)S1 7076541 NSLVFVURPJWIEP-CZUORRHYSA-N 306.431 3.299 0 40 DGAB O=C(N[C@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc[nH]1 73785611 YLWCHDIINGIKDL-INIZCTEOSA-N 320.396 3.067 0 40 DGAB CCCN(CC1CC1)C(=O)CSc1ncnc2sccc12 3256813 BVQOVUVCWVBRGO-UHFFFAOYSA-N 321.471 3.432 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1nc(-c2ccco2)sc1C 48262876 XPEWFEZKKUUWLV-GFCCVEGCSA-N 320.414 3.210 0 40 DGAB O=C(CSC[C@H](O)c1ccccc1)Nc1ccc(F)c(F)c1 58264224 QVQBYIIJUGWJBZ-HNNXBMFYSA-N 323.364 3.370 0 40 DGAB COc1ccc(NC(=O)N2CCCC[C@H]2c2ncc[nH]2)cc1 58401299 XELRJATYLRMJPB-AWEZNQCLSA-N 300.362 3.177 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@@H](C)O1 12781228 QNEIYICIKBIRDD-TXEJJXNPSA-N 302.399 3.060 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)c(C)c2)s1 3384688 GERXRCXDDIILSZ-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB CCNc1nnc(S[C@H](C)c2nc(-c3ccco3)no2)s1 29740178 KEEXQULISVFIIP-SSDOTTSWSA-N 323.403 3.466 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2nc(C)cs2)cc1 2638466 QNNOUDLYFRWWPD-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(NC2CC2)nc1 60562694 YIDFLLWIQYZNDN-LLVKDONJSA-N 313.426 3.477 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(C)oc2C)c1 3464561 AJTRJICHESENPV-UHFFFAOYSA-N 301.342 3.309 0 40 DGAB O=C(Cc1ccsc1)NC[C@H](c1ccco1)N1CCCCC1 3504523 JAVBDEYKCUKKTE-OAHLLOKOSA-N 318.442 3.227 0 40 DGAB CC(=O)N1CCC[C@H](Cc2cncc(Br)c2)CC1 72344010 KRSMNGQSGPGZTR-LBPRGKRZSA-N 311.223 3.035 0 40 DGAB Cc1cc(C(=O)Nc2nc(Cc3ccccc3)cs2)n(C)n1 96009767 PKRGMGHVYMWZAO-UHFFFAOYSA-N 312.398 3.028 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)s1 21343749 JGOSNRLIWWEQBW-RAIGVLPGSA-N 309.431 3.297 0 40 DGAB CCCN1CCC(NC(=O)C2(c3cccc(F)c3)CCC2)CC1 65591388 MPAQCKDUAQCUEH-UHFFFAOYSA-N 318.436 3.238 0 40 DGAB CN(C)C1(CNC(=O)CCC(=O)c2cccs2)CCCCC1 14185179 XPWITGKDCJMPSJ-UHFFFAOYSA-N 322.474 3.092 0 40 DGAB CN(Cc1ccc(C(N)=O)cc1)Cc1c(F)cccc1Cl 14196490 JAIRRADVKHXTAS-UHFFFAOYSA-N 306.768 3.210 0 40 DGAB CCOc1c(Cl)cc(C(=O)NCc2ccccn2)cc1OC 6650200 KPPFPOUTFDNTLB-UHFFFAOYSA-N 320.776 3.072 0 40 DGAB Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 9427020 FIOJRMOAWKRGLT-CYBMUJFWSA-N 313.353 3.438 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCc1csc(C)n1 15832268 ROGFAXURIGPJDW-AWEZNQCLSA-N 308.378 3.064 0 40 DGAB C[C@@H]1C[C@@H](C)n2nccc2N1C(=O)Cc1cc(F)ccc1F 96443102 NPRQDQYEEVCFFS-GHMZBOCLSA-N 305.328 3.090 0 40 DGAB CC(C)n1nc(C(=O)OC2(C3CC3)CC2)c2ccccc2c1=O 83770992 NPWHYDYLIIEYDJ-UHFFFAOYSA-N 312.369 3.077 0 40 DGAB Cn1ccnc1[C@@H]1CCCN1CCSc1ccccc1F 95456030 LHXXEWQLWDDKCB-AWEZNQCLSA-N 305.422 3.488 0 40 DGAB COc1cc2cc(C(=O)c3cc(C)ccc3O)cnc2cc1OC 7714885 IQGKXCISYTZFRY-UHFFFAOYSA-N 323.348 3.497 0 40 DGAB Cc1ccc([C@H](C)N[C@H](C)Cn2ncc3ccccc3c2=O)o1 90937982 YSOPFTAXKUVMQR-OCCSQVGLSA-N 311.385 3.037 0 40 DGAB C[C@H](Cc1cccc(F)c1)C(=O)N1CCO[C@H]2CCCC[C@@H]21 68793726 AGRPOGFOIOTPGI-COXVUDFISA-N 305.393 3.174 0 40 DGAB Cn1c(S)nnc1-c1cc(-c2ccncc2)nc2ccccc12 17054948 CODFZJRAWCPXSN-UHFFFAOYSA-N 319.393 3.381 0 40 DGAB O=C1CCCC[C@@H]1Sc1nc(=O)cc(-c2ccccc2)[nH]1 8464181 PRSDZVZASDQOMI-AWEZNQCLSA-N 300.383 3.041 0 40 DGAB CCCCCC[C@H](CC)C(=O)NCCc1nnc2ccccn12 71909730 HDYBQCJYPHWEDH-HNNXBMFYSA-N 316.449 3.385 0 40 DGAB CC[C@H](Sc1nnc(Nc2ccc(C)c(C)c2)s1)C(N)=O 72086464 FLGWRXNAPCGGFM-NSHDSACASA-N 322.459 3.255 0 40 DGAB COc1ccc(OCc2nc(-c3cn(C)nc3C)cs2)cc1 69896829 ITVKHEAQROQNGG-UHFFFAOYSA-N 315.398 3.440 0 40 DGAB Cc1c(C(=O)N2CC[C@H](CN(C)C)C2)oc2ccc(Cl)cc12 69971579 WMDDRPASWMHJIV-GFCCVEGCSA-N 320.820 3.418 0 40 DGAB C[S@@](=O)Cc1cccc(NCc2c[nH]nc2C(C)(C)C)c1 95429167 WJKBMLUQANPIQX-NRFANRHFSA-N 305.447 3.198 0 40 DGAB C[C@H](NC(=O)N1CCSCC1)c1cccc(N2CCCC2)c1 87281546 FBJNCFTVUBZWOE-AWEZNQCLSA-N 319.474 3.106 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)N(C)C(C3CC3)C3CC3)cn2)n1 84105110 VZQCSUKHAUMYNY-UHFFFAOYSA-N 324.428 3.145 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCCO[C@@H]2CCC[C@@H]21 72286738 QFHDGWITZYSIFQ-JKSUJKDBSA-N 312.369 3.125 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1 95954886 ZPMAOYROHQKOOD-HZPDHXFCSA-N 318.380 3.318 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1c1cccc(CCC(=O)O)n1 74941253 UVYRREJXGKUNRH-AWEZNQCLSA-N 320.389 3.171 0 40 DGAB CC[C@@H](NC(=O)NCc1c(C)cc(C)[nH]c1=O)c1cccs1 75121224 SONSLUYXGHAECW-CYBMUJFWSA-N 319.430 3.004 0 40 DGAB COC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1ccc(C(C)C)cc1 23779500 GRGNZWDJHMGGTE-OAHLLOKOSA-N 318.442 3.118 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCCN1CCCCC1 20486170 OFFCDIRKODXGDY-GOSISDBHSA-N 318.461 3.145 0 40 DGAB CCCC1=NN(C(=O)c2ccccc2F)[C@@](O)(C(F)(F)F)C1 408738522 LHSLIJOSASOLAF-ZDUSSCGKSA-N 318.270 3.079 0 40 DGAB Clc1ccc(C2=CSC3=NNC4(CCCC4)NN23)cc1 39307417 LVTQNSHTOKEZEN-UHFFFAOYSA-N 306.822 3.336 0 40 DGAB O=C(O)c1conc1[C@H](O[C@@H]1CCCCO1)c1ccccc1 504659479 CTEKQMBDOVQCNP-UKRRQHHQSA-N 303.314 3.005 0 40 DGAB c1ccc(C2=NN(CN3CCOCC3)[C@H](c3ccccc3)C2)cc1 33393287 CFIQAFPJEXGKLU-FQEVSTJZSA-N 321.424 3.127 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)Nc2ccc(OC)c(C)c2)C1 73184800 BHPKYWCTVINKQP-CQSZACIVSA-N 306.406 3.284 0 40 DGAB C[C@@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCO)c2)C1 77694649 KORYFLJUJCBGEZ-RHSMWYFYSA-N 320.433 3.238 0 40 DGAB CCS[C@H]1CCCC[C@H]1NC(=O)NCc1cc(CC)no1 78333677 ZMFVURBRLZIQMZ-KGLIPLIRSA-N 311.451 3.101 0 40 DGAB Cc1cccc(CNC(=O)COC(=O)c2ccc(C)c(C)c2)c1 72333900 QRSLGKMNBOKIKV-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCCC[C@@H]1c1cc[nH]n1 286072940 RYMOKXGUAQDHSX-QGZVFWFLSA-N 308.385 3.187 0 40 DGAB CCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1OC 225481973 XLNZFXXQUPPLNW-UHFFFAOYSA-N 313.401 3.469 0 40 DGAB C[C@H](Cc1ccc(F)cc1)Nc1ccc2c(c1)OCC(=O)N2 136917876 JFSZTHPNINUMCL-LLVKDONJSA-N 300.333 3.200 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@@H](C)C(=O)N[C@@H](C)CC 225169075 NSUHDTKPZRETJJ-STQMWFEESA-N 324.852 3.382 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(OC)cc2)cc1COC 224686082 DDZYMANPSZQDKP-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB COC(=O)c1sccc1CN1CCC[C@H]1c1cc(C)on1 195537832 ISYSWUOLVBJAGP-ZDUSSCGKSA-N 306.387 3.168 0 40 DGAB COc1ccc2ccccc2c1-c1noc(C2CCNCC2)n1 199783371 ZUMLMVXSWDFLKM-UHFFFAOYSA-N 309.369 3.365 0 40 DGAB CC(=O)Oc1cccc(C(=O)c2cncc(Br)c2)c1 43210686 HCSMIMIAHKNUMC-UHFFFAOYSA-N 320.142 3.000 0 40 DGAB CCC(=O)N1CCN(c2ccc(Cl)cc2-n2cccc2)CC1 226246264 JOZAWHYBOZFMEQ-UHFFFAOYSA-N 317.820 3.189 0 40 DGAB C[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccnc1 224021720 DQGVHDWALBYMPE-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB CCN(c1ccccc1F)S(=O)(=O)c1ccc(OC)cc1 224857275 DHNCIBDDRVKMLY-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CC[C@@H](C)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225272127 SGQYMGILRDULHO-MRVPVSSYSA-N 300.811 3.212 0 40 DGAB CC(C)(C)Oc1ccc(NCC(=O)NCc2ccco2)cc1 96427566 FALJQHHHKCHXDQ-UHFFFAOYSA-N 302.374 3.185 0 40 DGAB CC[C@@H](CSC)N(C)C(=O)Nc1cccc([S@](C)=O)c1 91174849 NJKBCOMICXZOTN-FKIZINRSSA-N 314.476 3.029 0 40 DGAB C[C@H](CO)N(C)C(=O)Nc1cccc(-c2c(F)cccc2F)c1 96499578 XJZCRWCZCRAWDF-LLVKDONJSA-N 320.339 3.476 0 40 DGAB COc1cccc2c1N(CCn1c(=O)oc3ccccc31)CCC2 26339328 KOCFTEKXVFZIAC-UHFFFAOYSA-N 324.380 3.056 0 40 DGAB Cc1ccc(CN2CCc3c(c(=O)c4ccccc4n3C)C2)cc1 85345703 NZDIVCGZGVHQHH-UHFFFAOYSA-N 318.420 3.405 0 40 DGAB CCCn1ccnc1CN1CCCC[C@@H]1c1ccn2nccc2n1 257201064 AGBAJIXDCNTZNE-MRXNPFEDSA-N 324.432 3.063 0 40 DGAB COc1ccccc1CNCc1ccccc1OCCCCO 585117631 OKHMZHIAKLNYKY-UHFFFAOYSA-N 315.413 3.136 0 40 DGAB O=C(c1cc(F)ccc1F)N1CCC(Cc2ccncc2)CC1 257334173 YEVIQIZPFYCWEZ-UHFFFAOYSA-N 316.351 3.455 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251225266 OKLADSGWKVVMSH-MGBSGCIJSA-N 303.402 3.157 0 40 DGAB COc1cccc([C@@H](CNC(=O)c2cc3ccccc3[nH]2)OC)c1 96389818 YNCSVCMJPFSKQO-GOSISDBHSA-N 324.380 3.294 0 40 DGAB CN1CCCN(C(=S)Nc2ccc(Cl)cc2Cl)CC1 15584045 JIWMGBJXYNPOQK-UHFFFAOYSA-N 318.273 3.328 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N[C@H]1CCC[C@@H](C)C1 58087265 IEYICNHPSOPDAL-DOMZBBRYSA-N 317.433 3.397 0 40 DGAB O=C1[C@H]2CCCC[C@@H]2C(=O)N1c1ccc(Br)cc1 90450605 NNHSWFBCLSVZED-RYUDHWBXSA-N 308.175 3.129 0 40 DGAB O=C(Nc1ccc2c(c1)COC2)N1CCc2ccccc2CC1 92150129 KMRVOQNWGMLTHK-UHFFFAOYSA-N 308.381 3.350 0 40 DGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccccc1Cl 5120465 YALCTQQTBUNOHN-LLVKDONJSA-N 307.802 3.480 0 40 DGAB CCN1CCN(c2ccc(NC(=O)c3cccc(C)c3)cc2)CC1 5823064 SDEBPJUROZRIBX-UHFFFAOYSA-N 323.440 3.389 0 40 DGAB Cc1ccc(Cl)cc1S(=O)(=O)n1cnc2ccccc21 5942687 JWZQEWMJPFNDKC-UHFFFAOYSA-N 306.774 3.235 0 40 DGAB Cc1ccccc1CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2C 12146186 COZKAMDEPMRFKU-INIZCTEOSA-N 311.429 3.101 0 40 DGAB O[C@@H](CN1CCC(Oc2cccc(F)c2)CC1)c1cccs1 19294224 XQDRUIJWPFCBBG-INIZCTEOSA-N 321.417 3.464 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCN(c2nc3ccccc3s2)C1 1889114199 XHFRUWYFFJNRKP-NSHDSACASA-N 303.431 3.037 0 40 DGAB Cc1nc(C(=O)N[C@H]2CCCC[C@H]2C)nn1-c1ccc(F)cc1 15191839 CWWXFIAAFIWRPO-ABAIWWIYSA-N 316.380 3.023 0 40 DGAB Cc1ccc(CC(=O)Nc2c(C(N)=O)oc3ccccc23)c(C)c1 5268049 SOKMFVWOOFAVOI-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)[C@H]1CC[C@H]2[C@H](C(=O)O)C1 100127851 MOWGSPJMRSIRSG-XQQFMLRXSA-N 309.406 3.134 0 40 DGAB Cc1nc(C)c(C(=O)N2CCc3[nH]c4ccccc4c3C2)s1 32893643 DJDOBHAHKZRHFQ-UHFFFAOYSA-N 311.410 3.440 0 40 DGAB O=C(NCCCOc1ccccc1)N1CCc2ccccc2C1 32803469 BYSGASWIUJMKGL-UHFFFAOYSA-N 310.397 3.223 0 40 DGAB O=C(NC[C@H](c1ccccc1Cl)N1CCCC1)C1CCC1 33028451 WGLSNIIEPAMJHS-MRXNPFEDSA-N 306.837 3.393 0 40 DGAB CC(C)c1noc(CCCC(=O)Nc2nc3c(s2)CCC3)n1 41690721 VXLLZIJEAQHZJP-UHFFFAOYSA-N 320.418 3.100 0 40 DGAB O=C(CSc1nc2ccccc2s1)Nc1ccncc1 33408 PBUUHKBLQTZWQE-UHFFFAOYSA-N 301.396 3.422 0 40 DGAB CCN(CC)C(=O)CSc1ccc(-c2ccc(F)cc2)nn1 255213 ZGZXJPPOVMGCKL-UHFFFAOYSA-N 319.405 3.243 0 40 DGAB CN(C)c1nc(-c2ccccc2)c(C(=O)N2CCCC2)s1 343163 BHUPPQCRZLAJBJ-UHFFFAOYSA-N 301.415 3.112 0 40 DGAB Cc1cccc(NC(=O)C2=NN(c3ccccc3)C(=O)CC2)c1C 536723 XEDSLGDMNYCQDB-UHFFFAOYSA-N 321.380 3.425 0 40 DGAB CCOC(=O)CSC(=O)c1cccnc1Oc1ccccc1 1579729 DCJQHAMCLBTEFL-UHFFFAOYSA-N 317.366 3.310 0 40 DGAB O=C(OCC(=O)N1CCCCCC1)c1cccc2ccccc12 3316642 QBTQVLNGLIBGNJ-UHFFFAOYSA-N 311.381 3.399 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2CCC(C)CC2)c1C 3459769 OPJNHWYWVQKGES-AWEZNQCLSA-N 320.433 3.111 0 40 DGAB O=C(OCc1nnc(-c2cccs2)o1)c1cccnc1Cl 3535743 FRHBQXHYWHEYSO-UHFFFAOYSA-N 321.745 3.204 0 40 DGAB CCCc1ccc(C(=O)Cn2nnc(-c3ccccc3C)n2)cc1 4956769 UKKZIJGHXPUBSB-UHFFFAOYSA-N 320.396 3.484 0 40 DGAB Cc1nc(S[C@H](C)C(=O)NC2CC2)n(C2CCCC2)c1C 5090229 LAWZBDCCMMOSMF-GFCCVEGCSA-N 307.463 3.374 0 40 DGAB Cc1cc2oc(-c3ccco3)c(OCC(=O)O)c(=O)c2cc1C 5580570 UDRKEYZAPPLFNS-UHFFFAOYSA-N 314.293 3.133 0 40 DGAB O=C(Cc1cccs1)Nc1nc(-c2cccnc2)cs1 6508113 NUQAPMAYMXOOAJ-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC)o1 6678273 ZQSGJTCCWCBTLH-RKDXNWHRSA-N 301.412 3.403 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c(C)c1 6948220 ZAYWBBXTARDCKG-HNNXBMFYSA-N 318.442 3.179 0 40 DGAB O=C(Cn1cnc2sccc2c1=O)c1ccc(Cl)s1 7495056 AFTPWWAQALFQEX-UHFFFAOYSA-N 310.787 3.056 0 40 DGAB CCN(CC(=O)Nc1cc(C)on1)Cc1ccc(Cl)s1 8705347 PPAJFIQCGGUZPV-UHFFFAOYSA-N 313.810 3.159 0 40 DGAB O=C(NOCc1ccccc1)c1cccnc1SC(F)F 8993934 LAMRBIXLVBQJOH-UHFFFAOYSA-N 310.325 3.258 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1ccccc1Cl 9183979 XLEVFJNODJWCDX-OAHLLOKOSA-N 318.804 3.500 0 40 DGAB O=C(Cc1cn2ccsc2n1)Nc1cccc2cccnc12 9318986 TXMUXDRQFASBLU-UHFFFAOYSA-N 308.366 3.125 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C)o2)cc1 11542035 RVKVZVIPXKCSRS-DHZHZOJOSA-N 319.382 3.034 0 40 DGAB C[C@@H](Oc1ccccc1F)C(=O)Nc1onc2c1CCCC2 11914996 IUQIYICENMVXFA-SNVBAGLBSA-N 304.321 3.099 0 40 DGAB CCOc1cccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11915443 BDRANEFLPJXIJK-NSHDSACASA-N 300.358 3.450 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2nc3c(s2)CCCCC3)c1 12829209 OFWBJDLVHIFNCY-UHFFFAOYSA-N 303.387 3.195 0 40 DGAB COC(=O)c1cccc(NC(=O)Cn2ccc3ccccc32)c1 14137337 GEFAFMZNZAICLC-UHFFFAOYSA-N 308.337 3.067 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CC2)cc1)c1n[nH]c2ccccc12 14361862 JDWZSROSPIFSIB-UHFFFAOYSA-N 320.352 3.164 0 40 DGAB COc1ccc(OC)c(NC(=O)CCc2ccc(F)cc2)c1 18116081 NKRVMUFFLPNOCH-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB O=C(Nc1ccccc1F)[C@H]1CCCN1C(=O)c1cccs1 20400227 APGUMSIACMPUQQ-CYBMUJFWSA-N 318.373 3.131 0 40 DGAB O=C1CS[C@H](c2cccc(Cl)c2Cl)c2c[nH]nc2N1 20731678 RVALIYZLWQWJOT-LLVKDONJSA-N 314.197 3.491 0 40 DGAB C[C@@H](CC(=O)NCCc1cn2ccccc2n1)c1ccccc1 23318845 IYYCSAJIFJVXKO-HNNXBMFYSA-N 307.397 3.187 0 40 DGAB Cc1ccccc1OCn1ccc(C(=O)N2CCCC[C@@H]2C)n1 27972160 DXSIFECYEDMIKY-HNNXBMFYSA-N 313.401 3.243 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)CSC(C)(C)C)c1 28018308 BZCYWQUGXUZIKX-LLVKDONJSA-N 311.447 3.413 0 40 DGAB CCCCS(=O)(=O)Nc1ccc(-n2cc(Cl)cn2)cc1 28220246 YXJMULZRVUTBJM-UHFFFAOYSA-N 313.810 3.068 0 40 DGAB O=C(NC1=NCCCN1c1ccccc1)c1ccccc1Cl 28527643 HZISTZNELCCYME-UHFFFAOYSA-N 313.788 3.336 0 40 DGAB O=C(CCc1ccco1)NCc1csc(Br)c1 31422445 LORMCEYQWOBQOS-UHFFFAOYSA-N 314.204 3.353 0 40 DGAB Cc1cc(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)n(C2CCCC2)n1 32508846 UVABWQCNNNMKQR-KGLIPLIRSA-N 319.405 3.136 0 40 DGAB O=C(O)c1cnn(-c2ccc(Br)cc2)c1C(F)F 32627338 YQUBAYCPIYXGMD-UHFFFAOYSA-N 317.089 3.271 0 40 DGAB in-vitro CCC(C)(C)NC(=O)COC(=O)c1cc(C)n(C(C)C)c1C 32745298 SMZQRHYZDDGZLY-UHFFFAOYSA-N 308.422 3.147 0 40 DGAB C[C@@H](CNC(=O)/C=C/c1cccs1)N1CCc2ccccc21 33055359 UQWRKOMWVZVDPM-VFNNOXKTSA-N 312.438 3.329 0 40 DGAB CCCCN[C@@H](CN1CCCCC1)Oc1ccccc1OC 33619183 XGVSPFYWCCLYBO-GOSISDBHSA-N 306.450 3.276 0 40 DGAB O=C1CCc2c(Br)cc(Br)cc2C1 34438360 ALUHKAAEBQKYPC-UHFFFAOYSA-N 303.981 3.269 0 40 DGAB O=C(O)[C@H]1CCCN(CCOc2c(Cl)cccc2Cl)C1 35296755 RPMAYBQDRBKEKF-JTQLQIEISA-N 318.200 3.169 0 40 DGAB CCc1cc(C(=O)N(C)C2CCCCC2)c2c(C)noc2n1 36621740 TYAURQJNYSWLBQ-UHFFFAOYSA-N 301.390 3.498 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCCCCC1 36874450 ZACSJIYXURIWPF-SFHVURJKSA-N 312.413 3.353 0 40 DGAB O=C(O)c1cccc(CNC(=O)c2cc(Cl)ccc2F)c1 37716474 FTVGTYSQRWHLGT-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2c(C)cc(C)cc2C)cn1 40062382 BGJBWHMFXDLPDV-AWEZNQCLSA-N 313.401 3.455 0 40 DGAB Cc1c(C(=O)NCC2(c3ccccc3)CCCCC2)cnn1C 40082955 WIIHNYHINNUTEA-UHFFFAOYSA-N 311.429 3.360 0 40 DGAB COc1coc(C(=O)Nc2cc(Cl)ccc2Cl)cc1=O 40285182 UYKHSKBVXGNOJI-UHFFFAOYSA-N 314.124 3.208 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccc(N2CCOC2=O)cc1 40523328 VNOMYXFFHKMSCK-UHFFFAOYSA-N 314.385 3.264 0 40 DGAB NC(=O)Cc1ccc(NC(=O)Nc2cccc(Cl)c2)cc1 45775495 JNJPCLPSLZZNKO-UHFFFAOYSA-N 303.749 3.012 0 40 DGAB O=C(c1ccccc1)C1CCN(C(=O)CC[C@@H]2CCCO2)CC1 46326395 NLSLHOOYIFGROU-KRWDZBQOSA-N 315.413 3.067 0 40 DGAB C[C@@H](NCc1cccc2c1OCO2)c1ccc2c(c1)CCC(=O)N2 47826891 MYCPVTFATUTBGZ-GFCCVEGCSA-N 324.380 3.151 0 40 DGAB CCOC(=O)C1(NC(=O)c2oc3ccccc3c2C)CCCC1 48309694 RTVFTPYNBYFVEM-UHFFFAOYSA-N 315.369 3.347 0 40 DGAB CSCC(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48354077 QAHKGXQSLYUUPK-GJZGRUSLSA-N 320.502 3.144 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@H]1CCSc3ccccc31)CN2 58304964 DCJCYBHPVQBMKW-ZFWWWQNUSA-N 314.458 3.060 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1C[C@@H](C)C[C@H](C)C1 58421015 NJHKQSQLYODQOR-STQMWFEESA-N 317.433 3.207 0 40 DGAB CCN(CC)CCC[C@H](C)NC(=O)/C=C/c1csc(C)n1 64317498 VBJDMXYTDUMRHC-LXKVQUBZSA-N 309.479 3.091 0 40 DGAB CCN1CCc2ncnc(N3CCc4sccc4[C@@H]3C)c2C1 65512423 WEIMZEZECDCMNF-LBPRGKRZSA-N 314.458 3.040 0 40 DGAB O=C(OCCOc1cccc2ccccc12)C1(O)CCCC1 65634966 YAUNSVPNTJWBDM-UHFFFAOYSA-N 300.354 3.067 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1cc(OC)c(C)c(OC)c1 69350291 AXLRNCXDZSYGFH-UHFFFAOYSA-N 319.323 3.427 0 40 DGAB O=C(NC[C@@H](O)c1ccc(F)c(F)c1)c1sccc1C1CC1 69581789 UXHONPVCBWABRK-CQSZACIVSA-N 323.364 3.367 0 40 DGAB Cc1ccc(N2CCC[C@@H](NC/C=C/c3ccccc3)C2)nn1 69892476 QKWODQBZXBGAJE-QKYXPGDISA-N 308.429 3.057 0 40 DGAB COc1ccc(OC)c(CNCc2c[nH]nc2C(C)(C)C)c1 71819527 LPYRZPCLTYFFEC-UHFFFAOYSA-N 303.406 3.014 0 40 DGAB CCCO[C@H]1CCCN(C(=O)c2ncoc2-c2cccs2)C1 71886259 LVMXGQJBVAWRKV-LBPRGKRZSA-N 320.414 3.434 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)Nc1ccncc1 71921038 AIRPCBGRWJMIRK-INIZCTEOSA-N 324.428 3.210 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccccc2Cl)cc1 72228084 DWEZHNPWWDMAAM-HZPDHXFCSA-N 316.788 3.154 0 40 DGAB Cc1ccc(-c2csc3ncnc(NCc4cn[nH]n4)c23)cc1 72312224 GXDCUNZGOGWTRS-UHFFFAOYSA-N 322.397 3.397 0 40 DGAB O=C(Nc1ccccc1C(=O)NCc1ccc[nH]1)c1ccccc1 74123382 RCMOLDKSIDWDIP-UHFFFAOYSA-N 319.364 3.197 0 40 DGAB O=c1ccn(Cc2ccc(-n3cccn3)cc2)c2ccsc12 75146485 NVVQTHVPOLDIBV-UHFFFAOYSA-N 307.378 3.297 0 40 DGAB O=C(Nc1cccnc1Cl)N[C@@H](CCO)c1cccs1 76019913 BMSWGXVVRIHMHS-VIFPVBQESA-N 311.794 3.042 0 40 DGAB CSC[C@H](CCO)NC(=O)Nc1cccc(Cl)c1Cl 77659280 ZUNWLHXLRGSHOD-QMMMGPOBSA-N 323.245 3.229 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc3cc(F)ccc3o2)[C@H](C)C1 78897523 BMMHAQMJIKXXJH-WBMJQRKESA-N 318.392 3.309 0 40 DGAB CCc1nc(CCNC(=O)N2C[C@H]3CC=CC[C@@H]3C2)sc1C 78940983 WSNXZEBCWGGTRW-ZIAGYGMSSA-N 319.474 3.164 0 40 DGAB COc1c(C)cnc(Cn2ccc(=O)c3sccc32)c1C 78988024 HCMAUDLCBFIRMB-UHFFFAOYSA-N 300.383 3.132 0 40 DGAB Cc1cc(C)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1 79495197 DPAKCOJMPXEBRF-UHFFFAOYSA-N 319.430 3.365 0 40 DGAB CSC[C@@H](CCO)NCc1ccc(Cl)c2cccnc12 89493434 HLODNHMYSIDFBN-GFCCVEGCSA-N 310.850 3.092 0 40 DGAB Cc1ccc(-c2n[nH]c(NS(=O)(=O)c3ccccc3)c2C)o1 89656132 CANNRJCRNWQZLV-UHFFFAOYSA-N 317.370 3.087 0 40 DGAB O=Cc1cccc(Br)c1N1CCCC(F)(F)C1 95081194 AUMDKDFUCLVSQA-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)NCc2ncc(C)s2)cc1 95404529 IBWMTFTZXWMGRP-GFCCVEGCSA-N 319.430 3.027 0 40 DGAB CSCCN1C[C@H](O)C[C@@H]1c1ccc(C(F)(F)F)cc1 95436581 BIHHLAJTWWDWQH-CHWSQXEVSA-N 305.365 3.176 0 40 DGAB C[C@@H](C(=O)N[C@]1(C)CCc2ccccc2C1)C1CCOCC1 95439594 GUECHZVALNAWRM-AUUYWEPGSA-N 301.430 3.113 0 40 DGAB CC(C)Oc1cccc(CN(C)C(=O)NCc2ccn(C)c2)c1 95440296 BXGMBIVFLDKZBO-UHFFFAOYSA-N 315.417 3.154 0 40 DGAB C[C@@H](CCc1ccccc1)CN1CCN(Cc2ccncc2)CC1 95468608 FGCPYRFCQDSNJZ-IBGZPJMESA-N 323.484 3.468 0 40 DGAB COc1ccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)cc1 95915166 TXONPOXAAMBPHA-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1ccncc1Cl 95980961 QYZMKENCTGACHT-SNVBAGLBSA-N 320.751 3.265 0 40 DGAB O=C(CSC1CCCC1)N1CCC(Oc2ccccn2)CC1 96024650 MXMXWIUXMHSKJA-UHFFFAOYSA-N 320.458 3.127 0 40 DGAB Cc1ccc(CN2CC[C@H]3C[C@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 96046155 YYMDUOIGRXZJHW-DFQSSKMNSA-N 323.440 3.446 0 40 DGAB CCOC[C@@]12CCCO[C@@H]1CCN(Cc1ccc(C)s1)C2 96056795 DTQQCEULVMFKQV-SJORKVTESA-N 309.475 3.464 0 40 DGAB O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(CC1CC1)CC2 96100277 JOIBAWINBPTLMV-IBGZPJMESA-N 324.468 3.472 0 40 DGAB COCCCNC(=O)c1ccc(Oc2ccccc2Cl)o1 96183857 AJSZZQUHHOFLKI-UHFFFAOYSA-N 309.749 3.492 0 40 DGAB C[C@@]1(C(=O)N2CCCCCC2)CC(c2cccc(F)c2)=NO1 96193011 GANQGRKWDHRBEY-KRWDZBQOSA-N 304.365 3.111 0 40 DGAB CCC(CC)CN1CCc2nc(N3CCCC3)nc(C)c2C1 96253855 DJAPCRUAYAQFQE-UHFFFAOYSA-N 302.466 3.180 0 40 DGAB COCC[S@@](=O)Cc1cccc(NC(=O)C2(C)CCCC2)c1 96408236 YFIYSKFPFFRJFA-QFIPXVFZSA-N 323.458 3.101 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)NCc2csc(C(C)C)n2)C1 96439946 NOZIPSWUVDARFY-CMPLNLGQSA-N 313.492 3.350 0 40 DGAB CCc1cc(CNC(=O)N(C)Cc2cc3ccccc3o2)on1 96446146 BIFPTWDUTHSLTC-UHFFFAOYSA-N 313.357 3.325 0 40 DGAB Oc1nncc(N2CCC[C@H]2Cc2cccc(F)c2)c1Cl 96452662 KUUHANIOTPTAJR-LBPRGKRZSA-N 307.756 3.186 0 40 DGAB CCOc1cccc(NC(=O)Nc2cnn(-c3ccccn3)c2)c1 97103658 OLRZVKYCNWXQRP-UHFFFAOYSA-N 323.356 3.310 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)c1C 101749696 VAKLKLKPGNNVLR-CDSWZMAWSA-N 311.381 3.011 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103097155 LNDBOYAKFWSGQU-ZJIFWQFVSA-N 317.429 3.405 0 40 DGAB O=C(Nc1cccc(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)c1)NC1CC1 107341597 LSFPGRKTJPSDLV-MKBNYLNASA-N 314.385 3.316 0 40 DGAB CN(C)C(=O)[C@H]1CCC[C@]12CCN(Cc1cc(F)ccc1F)C2 108531976 PAPNJUCNURORGR-CRAIPNDOSA-N 322.399 3.045 0 40 DGAB COC(=O)c1cc(NCc2cccnc2)ccc1Br 195555836 POEWYOKXBJBZLQ-UHFFFAOYSA-N 321.174 3.243 0 40 DGAB CC(C)C[C@H](NC(=O)NC[C@H]1CC[C@@H](O)C1)c1cccs1 195578265 GWTTWCCWJFQFIX-MJBXVCDLSA-N 310.463 3.296 0 40 DGAB CCSCc1cccc(NC(=O)N2CC[C@@H](C)[C@H]2CO)c1 225507603 QOEZBKRXWUVSAA-IUODEOHRSA-N 308.447 3.174 0 40 DGAB CCCCOc1ccc(NC(=O)C(C)(C)OC)cc1C(=O)OC 225788961 SKQHBFHXFIMJJP-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB Cc1ccc(C)c(Nc2ncnc3c2cnn3C2CCNCC2)c1 228937059 GFYZDXOMVROCMZ-UHFFFAOYSA-N 322.416 3.111 0 40 DGAB Cc1cc(-c2nccn2C)nc([C@H]2CCCN(CC(C)C)C2)n1 257210106 BTERBNZXRUTMQH-HNNXBMFYSA-N 313.449 3.021 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@H](Cc2cccc3ncccc23)C1 257222472 DTLAATUPIBKQIY-CQSZACIVSA-N 320.396 3.053 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)NC1(c2ccccc2)CC1 262074735 GAAGNKABLACAAO-UHFFFAOYSA-N 309.365 3.123 0 40 DGAB CCOC(=O)c1cccc(NC(=O)CNc2ccc(F)cc2)c1 409392248 OKRCMVAICRXPCM-UHFFFAOYSA-N 316.332 3.053 0 40 DGAB CC(C)n1cnnc1CNC(=O)/C=C/[C@@]1(C)CC[C@@H](C)C1(C)C 521394819 BOWHDQBAHPGWLQ-QPGDCOPXSA-N 318.465 3.494 0 40 DGAB Cc1ncc(CNc2cccc(-c3n[nH]c(C4CC4)n3)c2)n1C 564351723 PSOITIDYYXGTAA-UHFFFAOYSA-N 308.389 3.003 0 40 DGAB CC(C)(C)c1nc(CN2CCOC[C@H]2c2ccc(F)cc2)no1 584213766 PLJSUGQRHLLVKQ-AWEZNQCLSA-N 319.380 3.080 0 40 DGAB O=C1CC(C(=O)Nc2cc(Cl)ccc2OC(F)(F)F)C1 585087852 XIRFWNWWVJKAKT-UHFFFAOYSA-N 307.655 3.156 0 40 DGAB CC(=O)O[C@@H]1CCC2=C[C@@H](OC2=O)c2c(C)coc2C=C1C 1078928924 POZFTWCDGVFNCC-UKRRQHHQSA-N 302.326 3.241 0 40 DGAB biogenic,in-vitro COc1cccc(CN2C[C@@H]3CN(Cc4ccccc4)C[C@H]3C2)c1 1203822156 BMMRQWVVLNAWBY-PMACEKPBSA-N 322.452 3.259 0 40 DGAB COC(=O)c1ccc2c(c1)CCc1cc(C(=O)OC)ccc1CC2 1857794490 NNBZNHONZITIQW-UHFFFAOYSA-N 324.376 3.144 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(Cc2cc(C3CC3)on2)C1 2087130952 POFUOIOABGWNKF-HNNXBMFYSA-N 319.449 3.021 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN2C(=O)C(C)(C)C)c1 51912 YQDIGNSHZYGLSY-HNNXBMFYSA-N 302.418 3.279 0 40 DGAB COc1cccc2cc(C(=O)N[C@H](C)c3ccccc3)c(=O)oc12 105776 CCYSVTGNISFBAD-GFCCVEGCSA-N 323.348 3.293 0 40 DGAB COc1ccc(NC(=S)NC(=O)c2cc(C)cc(C)c2)cc1 505893 MWEQGYZQOBEJCS-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB Cc1cccc(CSc2nnc(CCc3ccccc3)n2N)c1 2770794 LYFMTVUSUNVCIB-UHFFFAOYSA-N 324.453 3.378 0 40 DGAB NC(=O)c1ccc(NC(=O)CCCSc2ccccc2)cc1 3430372 NDEDKWNSXOZFEF-UHFFFAOYSA-N 314.410 3.297 0 40 DGAB CCn1cc(SCC(=O)NC[C@H]2CCCO2)c2ccccc21 4060530 AXWYYLPYIUBAKN-CYBMUJFWSA-N 318.442 3.049 0 40 DGAB Cc1ccc2oc(=O)c(S(=O)(=O)c3ccc(F)cc3)cc2c1 4484135 PATMJVJOOHDDGS-UHFFFAOYSA-N 318.325 3.073 0 40 DGAB CO[C@](F)(C(=O)Nc1ccc(F)c(Cl)c1)C(F)(F)F 4725036 XDVPPVJPICVBKD-SECBINFHSA-N 303.614 3.292 0 40 DGAB COc1ccc(NC(=O)c2ccco2)cc1N1CCCCC1=O 5441945 YVXGOMCWCSVLGZ-UHFFFAOYSA-N 314.341 3.057 0 40 DGAB CCCC(=O)NC(=S)Nc1ccc(CN2CCCCC2)cc1 5822742 QZMGKAQILLEFNX-UHFFFAOYSA-N 319.474 3.286 0 40 DGAB CCOC(=O)C1=C(C)NN=C(Nc2cccc(C)c2C)S1 6318954 OEXBNOPWMOUSKQ-UHFFFAOYSA-N 305.403 3.117 0 40 DGAB COc1ccccc1-c1noc(CCC(=O)Nc2ccccc2)n1 6785959 YWTUIZTYOASJRW-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB CCOP(=O)(CN(C)P(=O)(OCC)OCC)OCC 6943411 YHKOTNCTXCRKPI-UHFFFAOYSA-N 317.259 3.323 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2ccc(C)cc2)cc1 7069414 BDEDCFGHLMRGGP-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB Cc1occc1-c1nnc(S[C@H](C)C(=O)NC2CCCC2)o1 7194841 MIUOBYOZBNLCDG-SNVBAGLBSA-N 321.402 3.177 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N[C@@H]1CCOc2ccccc21 7214747 OKYAMAXILTZWRB-QGZVFWFLSA-N 306.365 3.350 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@@H](C)C(=O)NC(C)(C)C)n2)cc1 7456041 OHJGXHIYSMPNFP-NSHDSACASA-N 318.446 3.175 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)[C@@H]1CC(=O)N(C2CCCC2)C1 7474508 DYRDXRSJWQQCTQ-SNVBAGLBSA-N 324.783 3.209 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)NCCC1CCCC1 8278273 PNDPMRXJQUVRCU-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB Cc1nnc(NC(=O)[C@@H](C)Nc2ccc(F)c(Cl)c2)s1 8389619 MJPPSVHEWVVNKW-ZCFIWIBFSA-N 314.773 3.078 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](O)c1ccc(C(F)(F)F)cc1 8699529 QRVMLXMOYYJIEC-LLVKDONJSA-N 305.296 3.264 0 40 DGAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2ccccc2s1 8944587 CSHMWVGIPNXDMZ-UHFFFAOYSA-N 318.442 3.278 0 40 DGAB Cc1nc2nc(C(C)C)c(-c3ccc(Cl)cc3)c(N)n2n1 9290089 FEIJJLAKAHLMGN-UHFFFAOYSA-N 301.781 3.459 0 40 DGAB Cc1cc(SCC(=O)NCc2ccccn2)nc2ccccc12 9322585 COQVSXDWHFOCNP-UHFFFAOYSA-N 323.421 3.347 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cccs2)N1C[C@H]1CCCO1 9477550 ISYQCVHASZADHP-MLGOLLRUSA-N 314.410 3.494 0 40 DGAB C[C@@H](C(=O)Nc1ccc(OC(F)(F)F)cc1)N1CCCCC1 9547024 GSZNTINQNJDHPT-NSHDSACASA-N 316.323 3.398 0 40 DGAB NC(=O)[C@@H](Sc1ccc(C(F)(F)F)cn1)c1ccccc1 10320852 DWSKARACLNTWRH-LBPRGKRZSA-N 312.316 3.419 0 40 DGAB COc1cc([C@H]2CC(=O)Nc3ccsc32)cc(OC)c1OC 12418695 UXRFCKHUQHHFQC-SNVBAGLBSA-N 319.382 3.248 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)Cn1c(C)nc2ccccc21 12520516 JCSIPRPPCPNEKM-ZDUSSCGKSA-N 323.396 3.231 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)C(=O)c1cccnc1O 12551995 DPKRBTLITZEEON-UHFFFAOYSA-N 310.275 3.078 0 40 DGAB Cc1ccc(CC(=O)NC[C@H](c2cccc(F)c2)N(C)C)cc1 12890326 KORSPLZLYVGXAV-GOSISDBHSA-N 314.404 3.096 0 40 DGAB Cc1cc(C)cc(C(=O)N2CCN(C3CCCCC3)CC2)c1 13745530 MKPFWLHUCIPIMV-UHFFFAOYSA-N 300.446 3.394 0 40 DGAB COc1ccccc1COC(=O)c1ccc(Cn2cccn2)cc1 14149820 QJEITXQEKHMLQM-UHFFFAOYSA-N 322.364 3.297 0 40 DGAB C[C@H](NC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)OCCO2 14165336 NHQYQUVAYPCYHP-LBPRGKRZSA-N 322.364 3.430 0 40 DGAB Cc1cc(C)c(NC2=NCC(=O)N2Cc2cccs2)c(C)c1 20143203 QJTQHRGXIKBJLF-UHFFFAOYSA-N 313.426 3.484 0 40 DGAB COc1ccc(Cl)cc1-n1c(S)nnc1[C@@H]1CCCO1 20726447 YTXUMCQEJRGFNX-NSHDSACASA-N 311.794 3.070 0 40 DGAB O=C(CCc1ccsc1)NCCCc1nc2ccccc2[nH]1 21528545 CQRRCMYFFWBCGG-UHFFFAOYSA-N 313.426 3.306 0 40 DGAB Cc1cccc(C)c1C(=O)c1cccc(CN2CCN(C)CC2)c1 22028026 BGGMMOFBKWPJEK-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCOC 22511485 AWUVNVVAGGYGTM-KRWDZBQOSA-N 301.386 3.150 0 40 DGAB CCCOc1c(Cl)cc(C(=O)Nc2ccn(C)n2)cc1OC 24473088 MSSUJRWDILLMOC-UHFFFAOYSA-N 323.780 3.123 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)[C@@H]2C[C@@H]2c2ccccc2)s1 27920239 GBIPSPLBDOKUGS-CHWSQXEVSA-N 314.410 3.152 0 40 DGAB Cc1cccnc1NC(=O)c1ccc(Cn2cc(Cl)cn2)o1 27982138 RVKXDJMNZWQEOZ-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB C[C@H](NC(=O)c1cccnc1N(C)C)c1cccc(Cl)c1 31695480 MWYYISYBGLJDMM-NSHDSACASA-N 303.793 3.292 0 40 DGAB COc1cc(CNCc2cccnc2)ccc1OCC(C)C 32185536 GWJREVQHOJFZHM-UHFFFAOYSA-N 300.402 3.415 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1C[C@@H](C)C[C@@H](C)C1 32648364 CXCIIOFKOZCDSR-JFGNBEQYSA-N 317.355 3.276 0 40 DGAB CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)c1ccccc1 32714740 MHEFXXCPAFZOCH-UHFFFAOYSA-N 321.380 3.223 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CN(Cc1cccs1)C1CC1 32778646 ZNZRALDFYZIBQB-XJKSGUPXSA-N 306.475 3.407 0 40 DGAB COC(=O)c1ccoc1COc1ccc(F)c2c1C(=O)C[C@H]2C 32899452 ZJHSKOGVICQPQR-SECBINFHSA-N 318.300 3.474 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2)c(N)c1-c1ccccc1 35571999 VUJDQYIYGWKSIG-UHFFFAOYSA-N 307.353 3.298 0 40 DGAB O=C(c1c(F)cccc1F)N1CCO[C@H](c2ccccc2)C1 35594945 YRUQDHJKZXEJIY-HNNXBMFYSA-N 303.308 3.179 0 40 DGAB CCN(CC)CCNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1 38640099 RTBVIZYDVQWAHS-INIZCTEOSA-N 304.478 3.447 0 40 DGAB Cc1cc(Cl)ccc1NS(=O)(=O)c1c[nH]c2ncccc12 40158022 MAWNTHQUYXEBFU-UHFFFAOYSA-N 321.789 3.326 0 40 DGAB COc1ccc(Cl)cc1CC(=O)Nc1nc(C(C)=O)cs1 40468742 BHBQYZOFOUPOAR-UHFFFAOYSA-N 324.789 3.189 0 40 DGAB CCCCN(CC)C(=O)Nc1cccc(CN2CCCC2=O)c1 40527036 SLJHMUMMCZBURD-UHFFFAOYSA-N 317.433 3.463 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)[C@@H]1CCCc2ccccc21 40543140 TWXAUZFIFQOIRT-MRXNPFEDSA-N 305.399 3.284 0 40 DGAB CC1CCN(CCCNC(=O)c2c(F)cccc2Cl)CC1 41836776 KFVUDBNWWVZHAL-UHFFFAOYSA-N 312.816 3.331 0 40 DGAB O=C(CNc1cc(Cl)ccc1Cl)NCC(F)(F)F 42207945 YPBZXNWTDPCJRW-UHFFFAOYSA-N 301.095 3.084 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)C1(c2cccc(Cl)c2)CCC1 42688037 JDBHTXQTQVKNHO-UHFFFAOYSA-N 317.820 3.154 0 40 DGAB Clc1ccc2cccnc2c1CN1CCN(CC2CC2)CC1 53238104 QHMDXDJIPFSHAD-UHFFFAOYSA-N 315.848 3.416 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc3ccccc3s2)C1 58203093 RXTRKGJRFWGIID-ZDUSSCGKSA-N 317.410 3.317 0 40 DGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCc3ccccc3)c12 61721368 ZYEXQOQSVCFENK-UHFFFAOYSA-N 322.412 3.330 0 40 DGAB Cc1ccc(C)c(C[S@@](=O)CC(=O)Nc2ccccc2C)c1 69326636 FUCUFAHCDOXOQV-QFIPXVFZSA-N 315.438 3.499 0 40 DGAB CSc1ccc(NC(=O)CSCc2ccncc2)cn1 69379069 WXPSEXDQEAYVMG-UHFFFAOYSA-N 305.428 3.070 0 40 DGAB Cc1nnc2n1CCN(Cc1sc3ccccc3c1Cl)C2 69492376 ZCJDTIGCLJSDAS-UHFFFAOYSA-N 318.833 3.470 0 40 DGAB O=C(NC1CCN(C2CC2)CC1)N(CC1CC1)C1CCCCC1 69762509 ZURIHPUWVFUSMZ-UHFFFAOYSA-N 319.493 3.368 0 40 DGAB NC(=O)c1ccc2[nH]c(-c3ccc(Br)cc3)nc2c1 70461542 XGNVZXDXMQBCDK-UHFFFAOYSA-N 316.158 3.091 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 72298846 TUFKWRBCBHWMGS-HNNXBMFYSA-N 315.442 3.185 0 40 DGAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3C3CCC3)n2)c(F)c1 72322028 CIOCVIKBHIEDID-INIZCTEOSA-N 319.355 3.281 0 40 DGAB biogenic,in-vitro CC(=O)N1CCCC[C@@H]1c1ccnc(Nc2ncc(C)s2)n1 72377496 LXZVKROHVLHQPW-CYBMUJFWSA-N 317.418 3.059 0 40 DGAB O=C(Nc1cnc(-c2ccccc2)nc1)c1ccncc1Cl 73847318 MLLXPTMESZZLDA-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB Cc1cccnc1CNC(=O)NC[C@@H](C)Cc1cccs1 74106137 CQIHZOIQTIHERG-LBPRGKRZSA-N 303.431 3.130 0 40 DGAB COc1ccc(NC(=O)NCC[C@@H](O)c2ccccc2)cc1F 76094415 XTNHZXNZHFNXJE-OAHLLOKOSA-N 318.348 3.080 0 40 DGAB CCn1nc(C)c(C(=O)OCc2ccnc(Cl)c2)c1Cl 76911636 XKFFDELDQIEXOU-UHFFFAOYSA-N 314.172 3.270 0 40 DGAB CCc1nc([C@@H](C)NC(=O)N[C@@H](C)Cc2ccco2)cs1 78924845 GNSVKKRIYLHVNR-WDEREUQCSA-N 307.419 3.290 0 40 DGAB CC(=O)c1ccc2cc(OCC(=O)N[C@H](C)C3CC3)ccc2c1 79013835 DUJRHFVNYLRIQG-GFCCVEGCSA-N 311.381 3.336 0 40 DGAB Cn1c(C2CC2)nc2c1CCN(Cc1nc3ccccc3s1)C2 84310943 RCRUZSNALZCYKG-UHFFFAOYSA-N 324.453 3.466 0 40 DGAB COCc1cc(C(=O)Nc2cc(Cl)ccc2NC2CC2)no1 89420320 PXSIOVBIACNYPW-UHFFFAOYSA-N 321.764 3.301 0 40 DGAB CCOC(=O)c1sc([C@@H](C)NC(=O)c2occc2C)nc1C 89984808 WHBCZUQVWXQIAR-SNVBAGLBSA-N 322.386 3.021 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@@H]2C(=O)Nc3ccccc32)CC1 91302985 NMTIYHCGPJFXTJ-HNNXBMFYSA-N 316.401 3.369 0 40 DGAB C[C@H](NC(=O)C1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 95412791 UMHQLGXBJKVTIL-OPFPJEHXSA-N 324.465 3.232 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NCCCn1ccnc1 95419107 NSFQWDUXIOZWMG-CYBMUJFWSA-N 300.431 3.104 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC(Oc2ccc(Cl)cn2)CC1 96024942 SXRWDAAWPWFIKE-ZDUSSCGKSA-N 320.820 3.461 0 40 DGAB Cc1cccc(CN2CC[C@]3(CCCN(c4ncccn4)C3)C2)c1 96216929 NCOUIDAYEMYHRY-HXUWFJFHSA-N 322.456 3.278 0 40 DGAB Cc1ccsc1CN1CC[C@@H](OCC2CC2)[C@H]2OCC[C@@H]21 96220604 AVMDFRGZWOLOFR-UXLLHSPISA-N 307.459 3.215 0 40 DGAB CO[C@@H](CNC(=O)c1cc2ccccc2[nH]1)c1cccc(F)c1 96388019 OVFMOCRDRUWAPW-KRWDZBQOSA-N 312.344 3.425 0 40 DGAB CN(C)c1cccc([C@H]2CCCN2C(=O)COC2CCCC2)c1 96410168 AHHJJHAJEQFTRF-GOSISDBHSA-N 316.445 3.375 0 40 DGAB C[C@H](NC(=O)[C@H](C)CCOc1ccccc1)c1nccs1 96443680 MRLGWKPLVMMDCL-OLZOCXBDSA-N 304.415 3.426 0 40 DGAB CC(C)(O)[C@H]1CCCN1C(=O)c1cncc(-c2ccccc2)c1 96487210 HLDRFDVMRKRARP-QGZVFWFLSA-N 310.397 3.124 0 40 DGAB C[C@@H](NC(=O)c1cc(Cl)c(N)c(Cl)c1)c1ccccn1 97022777 BJQGMWIUIVXSAL-MRVPVSSYSA-N 310.184 3.462 0 40 DGAB CCSCc1cccc(NC2CCN(C(=O)N(C)C)CC2)c1 97033032 KDXGQSSQIYYOLI-UHFFFAOYSA-N 321.490 3.498 0 40 DGAB Cc1ccc(C(=O)/N=c2\sc3cccc(F)c3n2C)cc1 100909162 LTPFSLDTCKAHNO-VLGSPTGOSA-N 300.358 3.428 0 40 DGAB COCc1nn2c(O)cc(C)nc2c1-c1ccc(Cl)cc1 101053835 LBYMCYMBGCOSLZ-UHFFFAOYSA-N 303.749 3.210 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccc(F)cc1)C=C(c1ccccc1)N2 101501269 ZZLSUZIQBVOKLN-OAHLLOKOSA-N 307.332 3.055 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c2c(C)noc2n1 103157449 BCULXEWUHNBOIE-DOERSZECSA-N 313.401 3.394 0 40 DGAB CCn1ccc2ccc(NC(=O)N3CC[C@@H](CN(C)C)C3)cc21 127044053 FCKSYWRVRTVIMY-AWEZNQCLSA-N 314.433 3.077 0 40 DGAB CC[C@]1(CO)CCCN1C(=O)Nc1cc(C)cc2cccnc12 190351321 FZBWLSGEMLQJAQ-GOSISDBHSA-N 313.401 3.312 0 40 DGAB C[C@H](CCc1ccc(O)cc1)NC(=O)N1CCSCC[C@H]1C 190701210 YEQJQBQHPGOPJE-ZIAGYGMSSA-N 322.474 3.250 0 40 DGAB C[C@H]1CN2C(=N[C@@H](c3ccccn3)[C@@H]2c2cccc(O)c2)S1 222579333 VITZMJKQILECTF-UVBJJODRSA-N 311.410 3.377 0 40 DGAB Cc1cc(C)c(C(=O)NC[C@H]2COc3ccccc3O2)cc1C 225284280 ZJIDUNLIVHNWLZ-HNNXBMFYSA-N 311.381 3.182 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccccn1 225433257 VPALDYYDNCLOPS-LJQANCHMSA-N 324.424 3.434 0 40 DGAB CCNC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 225434585 IIUCXFAHKMAWQH-UHFFFAOYSA-N 319.792 3.424 0 40 DGAB CC(=O)N[C@H](C)C1CCN(Cc2sccc2Cl)CC1 225625471 DGBICOLUUFSUNX-SNVBAGLBSA-N 300.855 3.138 0 40 DGAB CN(C)c1ccc(N)cc1C(=O)Nc1ccccc1OC(F)F 226324848 MEOOYHAKAKSCKG-UHFFFAOYSA-N 321.327 3.189 0 40 DGAB COC[C@@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 247843884 LVSNKKGPEDRFRD-SFHVURJKSA-N 307.397 3.240 0 40 DGAB CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(Cl)cc1 257264458 LULZIVQBVJXIKP-ZBFHGGJFSA-N 322.836 3.118 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3oc4ccccc4c3C)C2)n1 257341905 ZMJKYQAYEYZXNV-ZDUSSCGKSA-N 309.369 3.402 0 40 DGAB Cc1ccc(NCc2ccc(OCC(N)=O)c(Cl)c2)cc1 408557210 NQVNRMXAYCGKHQ-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB CC(=O)c1ccc(-c2ccc(/C=C3/SC(=N)NC3=O)o2)cc1 408718471 PTKMUKZKQWPMMS-RIYZIHGNSA-N 312.350 3.288 0 40 DGAB CCc1nccn1[C@@H]1CCCN(c2nccc(C(C)(C)C)n2)C1 549121288 CKMKSGVPRVUKTD-CQSZACIVSA-N 313.449 3.375 0 40 DGAB CC(C)(C)c1noc(CCC(=O)N2CC(C)(C)[C@@H]3CCC[C@@H]32)n1 571792450 HNFALJBPKSJPOQ-OLZOCXBDSA-N 319.449 3.337 0 40 DGAB CC(=O)Nc1cc(Cl)c(NC(=O)[C@H]2CCCO2)c(Cl)c1 585125369 POZCFLAQCVYWGE-LLVKDONJSA-N 317.172 3.069 0 40 DGAB O=C(Nc1cccc2ncccc12)c1cc2c(nn1)CCCC2 1888906392 GBJKCAMDBMKHHK-UHFFFAOYSA-N 304.353 3.156 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccc(C)cc2)nc1C 188298 NFHYSHACEWOXGL-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB O=C(O)CCCC(=O)Nc1cccc(-c2nc3ccccc3[nH]2)c1 259887 XXBIWPWZSNCBJM-UHFFFAOYSA-N 323.352 3.423 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)cc1C 260532 BHCKJDARRZYXRT-INIZCTEOSA-N 318.417 3.499 0 40 DGAB c1ccc(Nc2nc3nonc3nc2N2CCCCCC2)cc1 357502 HVZKLRDIBJHZAP-UHFFFAOYSA-N 310.361 3.137 0 40 DGAB CC1(C)Cc2c(c(-c3ccccc3)nc3ncnc(N)c23)CO1 1273808 FTLSKCCTYQFDIO-UHFFFAOYSA-N 306.369 3.125 0 40 DGAB CCOC(=O)C(C(=O)OCC)(c1ccccc1)c1ccccc1 1646365 ZHOJJKNZPQSYQP-UHFFFAOYSA-N 312.365 3.099 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccccc2F)c1 1943792 SRSWWJULQGHJMZ-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB Cc1cccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)c1 2706828 QHQHCYGDIDSNLX-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB Cc1ccnc(SCC(=O)N[C@H](C)CCc2ccccc2)n1 3243801 FPCHWNGCSCOOQN-CYBMUJFWSA-N 315.442 3.015 0 40 DGAB COc1ccc(CCNC(=O)/C=C/c2cccc(OC)c2)cc1 3608355 SAGRSFBSVIPQNJ-DHZHZOJOSA-N 311.381 3.076 0 40 DGAB Cc1nc2ncnn2c(N2CCC(C)CC2)c1Cc1ccccc1 4999405 GRDJNNJHEILZKG-UHFFFAOYSA-N 321.428 3.260 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccc(OC)nc3)c(C)c2c1 5199203 LWIRIHNXEUHFGI-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB NC(=O)c1ccc(NC(=O)CC23CC4CC(CC(C4)C2)C3)cc1 5636756 STXCUIAISDYKFF-UHFFFAOYSA-N 312.413 3.331 0 40 DGAB CCOc1cc([C@@H]2NN=C(c3ccccc3)S2)ccc1O 6464499 XVMUQCOSFXTXPI-MRXNPFEDSA-N 300.383 3.488 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1 6472254 IZOMAFQKDRLAKP-UHFFFAOYSA-N 314.410 3.205 0 40 DGAB CCOc1ccccc1[C@@H]1S[C@@H](C)C(=O)Nc2[nH]nc(C)c21 6678518 ORDMDCPFAAQQGP-HZMBPMFUSA-N 317.414 3.280 0 40 DGAB Cc1ccc(NC(=O)Cn2c(=O)oc3ccc(Cl)cc32)cc1 6759996 PITSVIWKBNHPMX-UHFFFAOYSA-N 316.744 3.195 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc2c(c1)CCC2 6905971 LMKAWULPOBFVSS-UHFFFAOYSA-N 315.394 3.179 0 40 DGAB CCc1ccccc1NC(=O)CSc1nc(C)cc(C)n1 6960153 VRLHLNIREQSXDH-UHFFFAOYSA-N 301.415 3.387 0 40 DGAB Cc1cc(N)nc(SCC(=O)Nc2ccc(C)c(Cl)c2)n1 7047915 GJZUPJCRHXPKGL-UHFFFAOYSA-N 322.821 3.060 0 40 DGAB CCOCc1cc(C(=O)Nc2ccc(OC)cc2)ccc1OC 7071557 MEJOTRPHYMGUFF-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB C[C@H](NC(=O)Cc1ccc2c(c1)OCCO2)c1ccc(F)cc1 7304062 HKDQQWONAJAJIA-LBPRGKRZSA-N 315.344 3.017 0 40 DGAB Cc1ccccc1NC(=S)NCCCOCc1ccco1 7465203 YDKNTZJFBCHCOQ-UHFFFAOYSA-N 304.415 3.481 0 40 DGAB Cc1ccc(NC(=O)CN(C)Cc2cccc(F)c2)c(F)c1 7843462 FYXGNCMXTHEYQV-UHFFFAOYSA-N 304.340 3.344 0 40 DGAB Cc1ccc(CNC(=O)Cc2csc(-c3cccnc3)n2)cc1 8061424 HQHTWIWLOPEHJK-UHFFFAOYSA-N 323.421 3.372 0 40 DGAB O=S(=O)(Nc1ccc2c(c1)CCC2)c1cc(F)cc(F)c1 8195477 PJBFIIBYNMLNFX-UHFFFAOYSA-N 309.337 3.254 0 40 DGAB O=C(NCc1ccccc1Cl)[C@H]1COc2ccccc2C1 8273590 CSDFPSZXCLNNJM-CQSZACIVSA-N 301.773 3.208 0 40 DGAB COc1ccc(CNC(=O)CCc2ccc(N(C)C)cc2)cc1 9118530 FETVCBFJDAHWIY-UHFFFAOYSA-N 312.413 3.010 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H](C)O1 12687969 ZOTSLULDLOHCRD-AOOOYVTPSA-N 317.216 3.041 0 40 DGAB Cc1ccc(C(=O)Nc2cc(C)nn2Cc2ccccc2)cn1 13008855 JPDIKAXAOKCOKL-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1cc(C)ccc1C 13710380 XDSFCFNUCGBXGK-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](Cc2ccccc2)CC[C@H]1C(=O)O 15442630 FDOLGKUYGFYUTN-CABCVRRESA-N 319.401 3.329 0 40 DGAB Cc1cccn2c(=O)c(C=O)c(Oc3ccc(Cl)cc3)nc12 16735749 KWEOKSWXHXUZJU-UHFFFAOYSA-N 314.728 3.261 0 40 DGAB Cc1ccc([C@H](Cc2ccccc2)NCCN2CCOCC2)cc1 19365967 JPWJDMZLHLFVQL-NRFANRHFSA-N 324.468 3.201 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1ccc(OC(F)F)cc1 19601086 UJNFEHQRJFBNTL-UHFFFAOYSA-N 309.287 3.286 0 40 DGAB CCn1c(C)nnc1SCc1nnc(-c2cccc(C)c2)o1 20034236 NYXCRDVJJOMYNB-UHFFFAOYSA-N 315.402 3.257 0 40 DGAB COc1ccc(CN2COc3ccc4ccc(=O)oc4c3C2)cc1 20403885 WZZFJUBOVAHKCX-UHFFFAOYSA-N 323.348 3.154 0 40 DGAB biogenic Cc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)c1 21148664 JSTNSJRAAFHBGE-GOSISDBHSA-N 300.446 3.476 0 40 DGAB C[C@@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(F)cc1 22605995 QWFYQTFDYOWYKR-GFCCVEGCSA-N 324.355 3.169 0 40 DGAB CCc1ccc(-c2noc(CCC(=O)Nc3ccccn3)n2)cc1 23055364 MFVVTHRUXCLJLG-UHFFFAOYSA-N 322.368 3.265 0 40 DGAB Cc1cc2ncn(CC(=O)NCCCc3ccccc3)c2cc1C 25218890 HBFVNCPAXKMLHP-UHFFFAOYSA-N 321.424 3.402 0 40 DGAB Cc1noc(C)c1CSc1ccccc1C(=O)NC1CC1 27769378 KQSFCVGZOYEISW-UHFFFAOYSA-N 302.399 3.476 0 40 DGAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccco1 27920714 IJTVOYQTJKPMGF-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB COc1ccc2[nH]cc(CNCc3ccc4c(c3)OCO4)c2c1 30714475 QYYGQZJCBVVOBB-UHFFFAOYSA-N 310.353 3.195 0 40 DGAB biogenic CN(C)c1ccc(CCCNC(=O)NCc2ccccc2)cc1 31664718 BKVNQQMIRAXCFZ-UHFFFAOYSA-N 311.429 3.185 0 40 DGAB COC(=O)CNc1ccc(Br)c(C(F)(F)F)c1 32810876 RYARRXKVAGRMSV-UHFFFAOYSA-N 312.085 3.053 0 40 DGAB c1cc(OC2CCCCC2)ncc1-c1noc([C@@H]2CCCN2)n1 35425543 PMMNKDHGHHKLTK-AWEZNQCLSA-N 314.389 3.268 0 40 DGAB biogenic,in-vitro COc1cccc(N2C(=O)C[C@@H](Nc3cccc(C)c3C)C2=O)c1 36635606 VLFVXDJOQBLDFL-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB O=C(NCCCOCc1ccco1)c1ccc(Cl)cc1F 40024506 YTMNLHALKOGORG-UHFFFAOYSA-N 311.740 3.409 0 40 DGAB Cc1cccc(/C=C/C(=O)NCCN2C[C@@H](C)C[C@@H](C)C2)c1 40107575 HEDMPZXLXUPWHV-COCHJFRFSA-N 300.446 3.102 0 40 DGAB Cc1noc(CN2CCC(c3nc4ccccc4s3)CC2)n1 40487907 VVRFYPUYBBPTAP-UHFFFAOYSA-N 314.414 3.367 0 40 DGAB Cc1cccc(C(=O)Nc2nnc(-c3sc(C)nc3C)o2)c1 41155209 VIZUZZAUWMOXRD-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB CC[C@H](C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 41184662 CIUOTKFPFTUMQU-JTQLQIEISA-N 307.781 3.237 0 40 DGAB Cn1ccnc1[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1 48710492 OAEPZKVKHKXRLK-QGZVFWFLSA-N 323.444 3.251 0 40 DGAB COc1ccc(C(=O)Nc2ccn(C)n2)cc1-c1ccccc1 50294077 RMCSUNXUEDDCBN-UHFFFAOYSA-N 307.353 3.348 0 40 DGAB COc1cc(C)ccc1OC(=O)c1ccc(F)c(NC(C)=O)c1 52955023 FPCKYQVWECZHEL-UHFFFAOYSA-N 317.316 3.320 0 40 DGAB O=C(Nc1cccc(CNCc2ccccn2)c1)c1ccncc1 55171677 SUSUKSKUDVQYJU-UHFFFAOYSA-N 318.380 3.019 0 40 DGAB CC(C)(C)c1cnc(Cn2nc(-c3ccccc3)ccc2=O)o1 58084905 WQWYSFBSHKGMFB-UHFFFAOYSA-N 309.369 3.244 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)c1cnn(C)c1C 58378824 YVBLMMPTTWNEKT-AWEZNQCLSA-N 301.390 3.073 0 40 DGAB NC(=O)c1ccc(C(=O)N(C2CC2)[C@@H]2CCc3ccccc32)cc1 58430974 BHNLPKKJGWHCBO-GOSISDBHSA-N 320.392 3.078 0 40 DGAB O=C(NCCc1cccc(O)c1)c1ccc(-c2cnco2)cc1 63866581 ZCQJAEINPNONGB-UHFFFAOYSA-N 308.337 3.020 0 40 DGAB O=C(CNc1ccccc1SCC(F)(F)F)NC1CC1 65537625 QDYQCOBNGFIHLN-UHFFFAOYSA-N 304.337 3.032 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(N(C)C)c(F)c2)no1 65541914 VWFXDZCXTGMXIS-MRXNPFEDSA-N 317.364 3.165 0 40 DGAB CC(C)Cn1ccnc1NC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1 65565545 IYJGHTYTDSGDDZ-LSDHHAIUSA-N 301.365 3.420 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3cccn3)C2)s1 65614363 KUGGTJVHAOBVFB-ZNMIVQPWSA-N 315.442 3.220 0 40 DGAB CCc1ccc(/N=c2\oc3cc(O)ccc3cc2C(N)=O)cc1 67298262 FFZRUCYETDITKI-ZZEZOPTASA-N 308.337 3.032 0 40 DGAB C[C@@H](OC[C@@H]1CCCO1)C(=O)N1CCCSc2ccccc21 68759786 GBNXQZCZANAUMV-KGLIPLIRSA-N 321.442 3.100 0 40 DGAB CC(=O)N1CCC[C@H]1[C@H]1CCCN1Cc1cccc2cccnc12 69929863 GPJHKHZOWNTIST-MOPGFXCFSA-N 323.440 3.210 0 40 DGAB CCn1nc(C)c(CCC(=O)Nc2nc(C)c(C)s2)c1C 71195396 RKXWYAGOGPQQGZ-UHFFFAOYSA-N 306.435 3.164 0 40 DGAB Cc1cccc(OC2CCN(C(=O)c3cscn3)CC2)c1 72351099 OTCQBFHSNAABGK-UHFFFAOYSA-N 302.399 3.135 0 40 DGAB COc1cc([C@H](C)Nc2ccc(Cl)cn2)ccc1OCCO 78653481 WLFWTWCYPOFJBB-NSHDSACASA-N 322.792 3.288 0 40 DGAB C[C@@](O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1cccs1 79000617 UJBDDQHAFCIYNV-GFCCVEGCSA-N 319.213 3.021 0 40 DGAB CCC(=O)Nc1ccc([C@@H](C)N[C@H](C)c2nc(CC)no2)cc1 79354836 SENGRVPLPYNSCX-VXGBXAGGSA-N 316.405 3.392 0 40 DGAB Cc1cnc(C(C)(C)NS(=O)(=O)c2ccc(C)c(C)c2)s1 80282425 FFOPUEPSIGMJMZ-UHFFFAOYSA-N 324.471 3.282 0 40 DGAB NC(=O)CC[C@@H]1CCCN(c2ccnc3ccc(Cl)cc23)C1 84459294 CNNCEGAFIJTOMQ-LBPRGKRZSA-N 317.820 3.370 0 40 DGAB COC(=O)c1ncccc1OCc1coc(-c2cccs2)n1 89401317 ZUDNBSJDHURGPS-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB Cc1nc([C@@H](C)NC(=O)c2ccc(-c3ccccc3)nc2C)no1 89537042 HPJDAAAOQIWUIZ-GFCCVEGCSA-N 322.368 3.239 0 40 DGAB CC[C@@H](C)c1cc(C(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)on1 95401287 AWODHISTUSTYMZ-DOMZBBRYSA-N 318.421 3.229 0 40 DGAB Cc1nnc(CSCc2cc(Cl)cc3c2OCOC3)o1 95412871 ZYYYBNSAPIQVLN-UHFFFAOYSA-N 312.778 3.331 0 40 DGAB COc1ccc(NC(=O)N2CCOC(C)(C)[C@H]2C)cc1Cl 95422016 HEBWUTUYKKGXET-SNVBAGLBSA-N 312.797 3.380 0 40 DGAB COc1c(Cl)cc(NC(=O)N[C@]2(C)CCOC2)cc1Cl 95440651 RTTDWAFSROBHAI-CYBMUJFWSA-N 319.188 3.303 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1ccc2[nH]c(C(F)F)nc2c1 95443770 ACNXOWOHVAKGEK-SNVBAGLBSA-N 309.316 3.398 0 40 DGAB Cc1ccc(F)c(NC(=O)N2CCCC[C@@H]2c2nc[nH]n2)c1 95468891 ZYOPIYKLHBCJGQ-CYBMUJFWSA-N 303.341 3.011 0 40 DGAB N[C@H](c1ccc(F)cc1)c1nc(-c2ccccc2Cl)n[nH]1 95533304 FAERXYISUOOTEH-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@@H]2O 95869822 QXFYDCQIFPOPPV-LMYJXFHDSA-N 304.430 3.138 0 40 DGAB c1cncc(C[C@H]2[C@@H](OCC3CC3)CCN2Cc2ccco2)c1 96200543 VZDANAUXTXQWEY-OALUTQOASA-N 312.413 3.287 0 40 DGAB O=C(CC(F)(F)F)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1 96496355 LYZDORGRALLJQX-QMMMGPOBSA-N 324.705 3.126 0 40 DGAB Cc1ccnc([C@@H](NC(=O)Nc2ccc(F)c(F)c2)C2CC2)n1 97164284 PZPFKVOXVBQSMR-AWEZNQCLSA-N 318.327 3.336 0 40 DGAB CC[C@H](C)[C@](C)(O)CNC(=O)c1c(C)noc1-c1ccccc1 97378179 LXVBWZYMPLCGCP-KPZWWZAWSA-N 316.401 3.177 0 40 DGAB CCc1cccc(C)c1NC(=O)N1CCN2CCCC[C@@H]2C1 104970638 WAYSQXOHQWGJLX-MRXNPFEDSA-N 301.434 3.259 0 40 DGAB C[C@H]1CC(=O)c2cnn(-c3cccc(Br)c3)c2C1 199730702 PQUBZRJYIYXTQK-SECBINFHSA-N 305.175 3.400 0 40 DGAB COc1ccc(N(C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1 222975137 MOKHZOROUWOVNI-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB CCOCC(=O)Nc1ccc(OCC(F)(F)F)c(Cl)c1 225712042 LZDPQXKKWGDCKS-UHFFFAOYSA-N 311.687 3.256 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccc(C=O)cc2)C1 228910948 ODSIAVYKEFVCRN-OAHLLOKOSA-N 318.417 3.240 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccc(Br)cc3)=NN[C@@H]2C1 228939269 ZVDYUHLWFOFRDR-YPMHNXCESA-N 321.218 3.130 0 40 DGAB Cn1nc(-c2ccc(F)cc2)c2c(C(F)(F)F)cc(O)nc21 257197735 HUWLJQGGTRIJON-UHFFFAOYSA-N 311.238 3.499 0 40 DGAB CC[C@]1(CO)CCCN(C(=O)C2CCc3ccccc3CC2)C1 529078537 JZYOKXJJOHOGNK-FQEVSTJZSA-N 315.457 3.193 0 40 DGAB Cc1c[nH]cc1C(=O)NC1(CC(=O)OC(C)(C)C)CCCC1 585087988 FXRNVPMZCWPICJ-UHFFFAOYSA-N 306.406 3.098 0 40 DGAB CCC[C@H](CCCO)C(=O)Nc1cccc(N2CCCC2)c1 585135487 MSGZUZXNEJTIKF-OAHLLOKOSA-N 304.434 3.414 0 40 DGAB Cc1cnc([C@H]2CCCN2C(=O)c2cc3cc(F)ccc3[nH]2)[nH]1 585181411 HJVXCPJXKCCTFT-OAHLLOKOSA-N 312.348 3.316 0 40 DGAB Cc1cn(C)nc1C(=O)Nc1cc(Cl)cc2cccnc12 1525931641 UEVHHXXXVZJWDI-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB CC(C)C[C@H](C(=O)N[C@H](CF)C(=O)O)c1ccc(Cl)cc1 1591118668 XGXDPJSPDSORCU-QWHCGFSZSA-N 315.772 3.009 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@@H](c3ccno3)C1)CCCC2 1615141398 KXYKNHZBXJPYAN-CYBMUJFWSA-N 314.385 3.475 0 40 DGAB Cc1cc(F)cnc1C(=O)NCc1cccc(C(F)(F)F)c1 1889136198 ZAPJVQLLHXRZOU-UHFFFAOYSA-N 312.266 3.478 0 40 DGAB FC(F)(F)C1CN(c2ncc(Cl)cc2Br)C1 2298074405 MZIXAHUWEMZXPR-UHFFFAOYSA-N 315.520 3.496 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1 1972442 ZCFJHVLSHUKHMJ-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CSCC[C@H](NC(=O)OC(C)(C)C)c1nnc(SC)o1 2196368 PAJAUXSCSFVFHV-QMMMGPOBSA-N 319.452 3.110 0 40 DGAB CCCn1c(=O)c2ccccc2n2c(SCC(C)C)nnc12 3375614 ILNVVPZEESSAGD-UHFFFAOYSA-N 316.430 3.202 0 40 DGAB CC(C)C[C@H]1NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 3487797 GNIPAHIZRKVVHM-GFCCVEGCSA-N 314.307 3.172 0 40 DGAB CCc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 5262277 INOWCEUHYFDISI-ZDUSSCGKSA-N 301.411 3.389 0 40 DGAB C[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 5559306 DYUHPHOZLPTTOC-ZBEGNZNMSA-N 317.772 3.357 0 40 DGAB CC[C@H]1CCc2c(sc(NC(=O)C(C)(C)C)c2C(N)=O)C1 6122273 HZGDXAJGKYUGOH-VIFPVBQESA-N 308.447 3.347 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)Nc2ccc(C)cc2)cc1 6204743 IHGOBGGHUSCPKD-UHFFFAOYSA-N 311.385 3.406 0 40 DGAB CCCN1C(=O)S/C(=C/c2cc3ccccc3oc2=O)C1=O 6323921 BETTUFDIBFUXIS-UKTHLTGXSA-N 315.350 3.239 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2cc(F)ccc2C)c1 6539944 QCWMZVIGMJKNFX-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB CSc1nc(NCCCN)c2sc3c(c2n1)CCCC3 6669889 LLAGHWVMSAGSTI-UHFFFAOYSA-N 308.476 3.053 0 40 DGAB O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 7055965 LYZDWFRBWDEBAX-UHFFFAOYSA-N 317.288 3.386 0 40 DGAB C[C@H](NS(=O)(=O)c1cccs1)c1ccccc1Cl 7305096 UEJOMMZXWADANV-VIFPVBQESA-N 301.820 3.441 0 40 DGAB COc1cccc(CCC(=O)NCc2ccccc2F)c1OC 8011382 FGYYGYYLFBNJFF-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB O=C(CSc1nc(C2CCCC2)n[nH]1)Nc1ccccc1F 8749309 KESJGWGKXAAGHR-UHFFFAOYSA-N 320.393 3.332 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c(C)s1 8777758 MHJLJNQSYFXIIP-SECBINFHSA-N 316.382 3.337 0 40 DGAB CN(CC(=O)NC(C)(C)C)C(=O)c1cc(Cl)sc1Cl 9691547 WZSQILLEIVWEFJ-UHFFFAOYSA-N 323.245 3.042 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NCCCc2ccccc2)cc1 11557995 RXEVELHGCPMKEA-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB CCOc1ccccc1OCCn1c(CO)nc2ccccc21 11735020 KWFRURNVLTVHHC-UHFFFAOYSA-N 312.369 3.006 0 40 DGAB CCc1cccc(C)c1NC(=O)c1ccc2c(c1)NC(=O)CO2 12680844 APCPRSMZCBXCSP-UHFFFAOYSA-N 310.353 3.141 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1nc2c(s1)CCCC2 12770364 DHBVLYQVUGYUDF-UHFFFAOYSA-N 313.382 3.344 0 40 DGAB CSCC[C@H]1NC(=S)N(c2cccc3ccccc23)C1=O 14188911 LVERHIRXWDZCIZ-CYBMUJFWSA-N 316.451 3.183 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCc2ccc(F)cc2)cc1 14683256 CGYDMFNGVGSLLJ-CQSZACIVSA-N 301.361 3.260 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1cc(=O)[nH]c2ccccc12 16051026 PEYUPJSLBFGADY-UHFFFAOYSA-N 312.756 3.112 0 40 DGAB O=[N+]([O-])/C(Br)=C\c1ccc(Br)cc1 16400166 FTLHRZGCLWEIAT-YVMONPNESA-N 306.941 3.419 0 40 DGAB O=C(NCCc1ccc(N2CCCC2)cc1)c1cccs1 16847214 RVFVZQPXMVNZJD-UHFFFAOYSA-N 300.427 3.321 0 40 DGAB Cc1nc(Nc2ccc(C(=O)O)cc2)cc(N2CCCCC2)n1 20136011 SWRVDLFWDHMGDE-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB Cc1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1cc(C)on1)CC3 24745731 VWOHXCZPRVOXDL-UHFFFAOYSA-N 310.357 3.363 0 40 DGAB CN(C/C=C/c1ccccc1)S(=O)(=O)c1ccc(F)cc1 25044213 MNPRUGMGXYRMTL-VMPITWQZSA-N 305.374 3.160 0 40 DGAB O=C(NCc1ccccc1)Nc1cccc(N2CCCC2=O)c1 25094332 XTEJYWCWWMCTHB-UHFFFAOYSA-N 309.369 3.135 0 40 DGAB O=C(NCc1ccc(Br)s1)[C@@H]1CC=CCC1 25471730 IYBSBMLKXDJTNF-SECBINFHSA-N 300.221 3.483 0 40 DGAB Cc1cccc(OC(=O)CN2C(=O)CSc3ccccc32)c1 25720861 SBIHHHSVMYFUPD-UHFFFAOYSA-N 313.378 3.039 0 40 DGAB CC(C)Nc1nc(NC(C)C)nc(Oc2ccc(O)cc2)n1 26951520 VBEDXLSTQQWQLX-UHFFFAOYSA-N 303.366 3.010 0 40 DGAB CC(=O)c1csc(NC(=O)[C@H](C)Oc2cccc(C)c2C)n1 31709782 SSARJHKPCGEQCN-LBPRGKRZSA-N 318.398 3.369 0 40 DGAB O=C(NCCSCc1ccc(Cl)cc1)c1cccnc1 32341495 PIRHERZOCGZOBY-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB C[C@H](CCc1ccco1)NC(=O)NCCc1ccccc1F 32779694 FYLTWCBPVNQILX-CYBMUJFWSA-N 304.365 3.282 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)/C=C/c1ccc2c(c1)OCO2 33203735 FTZFCHGBVMXNAW-HOSRBBHYSA-N 315.394 3.237 0 40 DGAB Oc1nc(CN2CC[C@H]3CCCC[C@@H]3C2)nc2ccsc12 35301255 QMMSDZOFNUYZQF-VXGBXAGGSA-N 303.431 3.409 0 40 DGAB COc1ccc(OCCNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1 36644358 JXEUDDZJCRJDBD-IRXDYDNUSA-N 317.429 3.429 0 40 DGAB Cn1ccc(CNC(c2ccccc2)c2ccccc2)cc1=O 42112310 KFHXHQYIILLZJD-UHFFFAOYSA-N 304.393 3.265 0 40 DGAB Cc1cc(O[C@@H]2CCNC2)c(Br)c(C)c1Cl 42774458 WRDGRLQUIQECGU-SECBINFHSA-N 304.615 3.460 0 40 DGAB S=C(NC[C@H]1CCCO1)N1CCCCC[C@@H]1c1ccncc1 44082708 LGHYCPMRIVJWCO-HZPDHXFCSA-N 319.474 3.052 0 40 DGAB O=C(NCc1ccc2ccccc2c1)[C@@H]1COc2ccccc2O1 45201521 DAJGXWJDDIUZKD-IBGZPJMESA-N 319.360 3.296 0 40 DGAB O=C(NCc1ccccc1F)Nc1ccccc1-n1cccn1 48152474 SKODXAPNLBLRBN-UHFFFAOYSA-N 310.332 3.333 0 40 DGAB O=c1nc(CN2CCC[C@@H]2c2ccsc2)[nH]c2ccccc12 48367676 ZUGHTIWFVRNUDD-OAHLLOKOSA-N 311.410 3.322 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1c[nH]cc1-c1ccc(Cl)s1 48990127 BLYJDMNKGBOVTK-VIFPVBQESA-N 310.806 3.305 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1C 51357373 MXTCAGYMQFYFAY-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB COc1ccc([C@H](O)CNCc2ccc(F)c(Cl)c2)cc1 53157652 LLWKTVWHHUCNTP-MRXNPFEDSA-N 309.768 3.311 0 40 DGAB CC1=C[C@H](C)[C@H]([C@@H]2NC(N)=Nc3nc4ccccc4n32)[C@H](C)C1 53944166 MPVKDSOURSACLP-SHUKQUCYSA-N 309.417 3.323 0 40 DGAB O=C(CCCc1c[nH]c2ccccc12)NC[C@H]1CCCOC1 54041333 HIJHGWQPZLUGAE-CQSZACIVSA-N 300.402 3.033 0 40 DGAB Fc1ccccc1N1CCN(Cc2nc3ccccc3o2)CC1 55530969 QAPMMBSZPNOMSI-UHFFFAOYSA-N 311.360 3.289 0 40 DGAB O=C(NCc1ccccc1-n1cccn1)c1c(F)cccc1F 58283285 RRPWMKVTHZTBIU-UHFFFAOYSA-N 313.307 3.081 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccccc1N1CCOCC1 61110656 IEQJQJJLIOCVOB-UHFFFAOYSA-N 314.429 3.144 0 40 DGAB C[C@@H]1Sc2ccc(C(=O)N3CCC[C@@H](C)CC3)cc2NC1=O 65479368 XOCWIGFYSUMRBT-NEPJUHHUSA-N 318.442 3.382 0 40 DGAB Cc1cccc(N2CCN(CC(=O)c3ccc(F)cc3)CC2)c1 67206386 DHZGRPLVKSFJBH-UHFFFAOYSA-N 312.388 3.139 0 40 DGAB Cc1cc(C)cc(CNCc2ccc(CS(C)(=O)=O)cc2)c1 67449248 JPSHNGMPBFVCTC-UHFFFAOYSA-N 317.454 3.138 0 40 DGAB Cc1ccc2c(CNc3cccc4c3OCCO4)cc(=O)oc2c1 68781537 SYPCCIFVPBBDLF-UHFFFAOYSA-N 323.348 3.485 0 40 DGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@H]1[C@H]1CCCN1C 69872373 FYPVPNGQKGWZRX-CABCVRRESA-N 322.836 3.047 0 40 DGAB COCCOCC(=O)N1CCCCC[C@H]1c1cccc(C)c1 71910497 JQNFXMGLOGPWGQ-KRWDZBQOSA-N 305.418 3.102 0 40 DGAB OCCN1CCC[C@@H](c2cccc(-c3ccccc3F)n2)C1 72357527 AHBWCGDEILKPAY-CQSZACIVSA-N 300.377 3.059 0 40 DGAB O=C(Nc1nncs1)[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 73516249 DBGKAIHISPVGLJ-RKDXNWHRSA-N 313.304 3.299 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)c2cccnc2NC(C)C)C1 74120102 UNNCUHUDILLQKC-QWHCGFSZSA-N 307.463 3.258 0 40 DGAB COc1cc(CCNC(=O)N2C[C@@H](C)CCC[C@H]2C)ccc1O 74265038 NITZLUUZPRZWJV-UONOGXRCSA-N 320.433 3.163 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)Cc2ccc(C(=O)NC)cc2)C1 76071030 YGJOXARZKXWZHF-HZPDHXFCSA-N 306.475 3.152 0 40 DGAB O=C(NCC[C@@H](O)c1cccs1)c1nc2ccccc2s1 77113717 BAUPUVWKYZOPPP-LLVKDONJSA-N 318.423 3.211 0 40 DGAB CSC[C@H](C)N(C)C(=O)Nc1ccc(-c2csnn2)cc1 77284603 FWMPVZCBFIVWGJ-JTQLQIEISA-N 322.459 3.420 0 40 DGAB Cc1ccsc1C(=O)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 79439560 ZMGFUUMSRPGNRO-GFCCVEGCSA-N 324.446 3.138 0 40 DGAB Cc1cc(NC(=O)Cc2ccc3c(c2)CCC(C)(C)O3)nn1C 79478881 XWTDRQIBBPYLRF-UHFFFAOYSA-N 313.401 3.013 0 40 DGAB O=C(NCCc1ccccn1)N1CCSC2(CCCCC2)C1 79941393 DMSUTOXYVUMMSE-UHFFFAOYSA-N 319.474 3.085 0 40 DGAB CO[C@@H](C(=O)N[C@@H](C)CCc1ccc(O)cc1)c1ccccc1 84637489 CJYCTLMHJTVXTC-KBXCAEBGSA-N 313.397 3.217 0 40 DGAB CCc1ccc(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2CC)cc1 89284866 JUYGDERNQSLQJV-IEBWSBKVSA-N 314.473 3.376 0 40 DGAB O=C(C[C@H](O)c1cc(Cl)cc(Cl)c1)NC1CC=CC1 89321361 MXEMJZRBJATWIJ-ZDUSSCGKSA-N 300.185 3.252 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)N[C@@H]2CCc3c(O)cccc32)C1 89334691 ORSCDEGVAQMRHC-YWPYICTPSA-N 320.458 3.305 0 40 DGAB O=C(c1ccco1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 89368268 HCZCDPJWCOBDQA-AWEZNQCLSA-N 323.295 3.095 0 40 DGAB Cc1ccc(-c2cc(C(=O)N(C)CCO)c3ccccc3n2)cc1 95360830 GUNRXJLWXKQFAI-UHFFFAOYSA-N 320.392 3.275 0 40 DGAB O=C(c1ccc(Cn2cccn2)o1)N1CCC2(CCCCC2)C1 95401716 GEQHNGHBCPUPHA-UHFFFAOYSA-N 313.401 3.321 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)NC[C@@H](C)c2ccncc2)s1 95409046 ZEYIJHXYAOHUKU-LLVKDONJSA-N 318.446 3.185 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 95915154 PMWWKZNVLVQIGG-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB CCCn1c(C)nnc1CSc1nc2cc(F)c(F)cc2[nH]1 95978034 FAAPGVKZKNOHCY-UHFFFAOYSA-N 323.372 3.443 0 40 DGAB c1ccc(CN2CCO[C@H]3[C@@H](OCc4ccncc4)CC[C@@H]32)cc1 96042206 HHBZSQHXEYLFTR-SLFFLAALSA-N 324.424 3.030 0 40 DGAB CC(C)COC[C@@H]1CN(Cc2ccsc2)Cc2ncn(C)c21 96044842 QFWVVAAABNRYJA-HNNXBMFYSA-N 319.474 3.254 0 40 DGAB c1ccc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)nc1 96111033 NVLKLZOZGUHGFR-QUCCMNQESA-N 323.440 3.296 0 40 DGAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1cc2ccccc2s1 96123195 UVQWUTSBFPNBBC-ZDUSSCGKSA-N 313.382 3.312 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)[C@@H]2CCCN2C(C)=O)c1 96404946 VCNHJWRLHVLACF-NHYWBVRUSA-N 306.431 3.060 0 40 DGAB Cc1c(NC(=O)N2CCCN(C)CC2)cccc1C(F)(F)F 97052237 OZCXWVFSAZYLEI-UHFFFAOYSA-N 315.339 3.183 0 40 DGAB COC[C@@H](C)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086532 STRWWHJOAFKFDI-YPMHNXCESA-N 315.335 3.304 0 40 DGAB CCc1ccc([C@H](NC(=O)N2CC[C@H]([C@@H](C)O)C2)C(C)(C)C)o1 97107954 ALWDHJTXNRTJPC-WWGRRREGSA-N 322.449 3.342 0 40 DGAB Cc1n[nH]c(C)c1CNCc1ccnc(OC2CCCC2)c1 97159316 AUVXLGZRLZYOIB-UHFFFAOYSA-N 300.406 3.033 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2CCN(Cc3ccccc3)[C@H]2C1 100451520 YESBJFJJWMHILD-CVEARBPZSA-N 302.418 3.128 0 40 DGAB in-vitro O=C1[C@@H]2CC=CC[C@H]2C(=O)N1Cc1cccc(C(F)(F)F)c1 102701472 VYVIGLNTLFJCNV-CHWSQXEVSA-N 309.287 3.157 0 40 DGAB CCCC[C@@H](CC)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C1=O 104315702 MBNUDOVYZALAPP-PYXYIPKBSA-N 309.837 3.371 0 40 DGAB CC(C)(C)c1cnc(Cn2ccnc2[C@@H](O)c2ccccc2)o1 133694754 WUEFZSKETTVDCU-INIZCTEOSA-N 311.385 3.299 0 40 DGAB C[C@@H](Sc1nnc(COc2ccccc2)n1C)C(F)(F)F 157493090 YSNYFJHELDYLDU-SECBINFHSA-N 317.336 3.437 0 40 DGAB CCn1c(C)cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C)c1C 222734378 UNFXCNWHGKHYIX-HZPDHXFCSA-N 314.458 3.122 0 40 DGAB CCNC(=S)Nc1ncc(Br)c(C)c1Cl 223866980 MKKCPCCSACNVKC-UHFFFAOYSA-N 308.632 3.112 0 40 DGAB O=C(Cc1ccccc1F)NCCSCc1ccccc1 225444422 SBTIFHBYFRGRMN-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB CC(=O)N[C@H]1CC[C@@H](C[C@H]2CC[C@@H](NC(C)=O)[C@@H](C)C2)C[C@H]1C 247948848 PSNMSNPGJXNYAJ-RMCFBFJYSA-N 322.493 3.258 0 40 DGAB COc1ccccc1N1CCN(c2cc(C)c(C)cc2N)CC1 256053261 QTAOBSIFQNHRLC-UHFFFAOYSA-N 311.429 3.221 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257233070 GNPWGWBJEJUCTH-MRXNPFEDSA-N 323.440 3.166 0 40 DGAB CN1CC=C(CNC(=O)Nc2ccccc2C(C)(C)C)CC1 271893601 FKRLZGJYBYCSIU-UHFFFAOYSA-N 301.434 3.368 0 40 DGAB CCc1nc(Cc2noc(COc3ccccc3F)n2)cs1 273763915 DLZGGNFHPGXXPA-UHFFFAOYSA-N 319.361 3.397 0 40 DGAB CC1CCC(NC(=O)C(=O)NC2CCC(C(C)(C)C)CC2)CC1 408709928 ISXGXURGTVADCI-UHFFFAOYSA-N 322.493 3.402 0 40 DGAB CC[C@@H](C)n1cc(I)c(COC(C)C)n1 408717005 USPSBJFQNWFLOM-SECBINFHSA-N 322.190 3.384 0 40 DGAB Cc1cccnc1CN1CCC(Oc2cncc(Cl)c2)CC1 516310056 DXIDXDZWIPIKNJ-UHFFFAOYSA-N 317.820 3.482 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)c2ccc(F)cc2O1 525677565 IBZZHBWZMALIBD-LLVKDONJSA-N 313.328 3.188 0 40 DGAB CCc1ccc([C@@H]2CCN([C@@H](C(=O)O)c3cccnc3)C2)cc1 564583581 DUYODDQWAWFBFT-QZTJIDSGSA-N 310.397 3.259 0 40 DGAB Cc1ccc2ncc(CN3CC[C@H](c4nccn4C)C3)cc2c1 568164829 BEFLFSFJSFRSTR-INIZCTEOSA-N 306.413 3.266 0 40 DGAB Cc1oncc1CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 575604759 FEHKKDCOJAHMLJ-UHFFFAOYSA-N 308.765 3.110 0 40 DGAB CC(C)Cc1ncc(-c2cnc(C[C@H]3CCN(C)C3)cn2)s1 585261164 VZVOBUPTSNTDQR-CYBMUJFWSA-N 316.474 3.293 0 40 DGAB Brc1ccc(I)c2ncoc12 642887165 SNHZGDVWYFRWAG-UHFFFAOYSA-N 323.915 3.195 0 40 DGAB CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@@H](CCF)C1 952852438 UWKVINWCFOVNFO-YOEHRIQHSA-N 321.440 3.030 0 40 DGAB CC[C@H]1CO[C@@]2(CCN(C(=O)c3ccc(OC)cc3C)C2)C1 1565550428 CUSBUIVYFBHSJG-KDOFPFPSSA-N 303.402 3.035 0 40 DGAB FC(F)(F)c1cccnc1N1CC(N2C[C@@H]3CCC[C@H]3C2)C1 1889074439 NMCPGORYMJXRGP-RYUDHWBXSA-N 311.351 3.021 0 40 DGAB C[C@@H](CN1CCCC1)OC(=O)c1cccc(Br)c1 210683 HJOOJWKRWJMXAK-NSHDSACASA-N 312.207 3.090 0 40 DGAB O=C1c2ccc(F)cc2C(=O)N1c1ccccc1Br 290316 KREZYOISPMKAEB-UHFFFAOYSA-N 320.117 3.389 0 40 DGAB CCCN(Cc1ccccc1)C(=O)Nc1ccc2c(c1)nnn2C 469819 ADSBZJYRJIHUGG-UHFFFAOYSA-N 323.400 3.412 0 40 DGAB Cc1nc(SCC(=O)Nc2ccccc2)nc2c1CCCC2 479856 ORGVSIDQKPNPQY-UHFFFAOYSA-N 313.426 3.395 0 40 DGAB CC(=O)n1cc([C@H]2C(=O)Oc3ccccc3C2=O)c2ccccc21 518134 GTJORMGEUQRCAP-QGZVFWFLSA-N 319.316 3.187 0 40 DGAB biogenic O=C(O)[C@@H]1CCCC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1 575978 CSQVMZHWIQNHBW-DLBZAZTESA-N 315.413 3.284 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1ccc(C(F)(F)F)cc1 1400455 WZPRPDFZIQXXOR-UHFFFAOYSA-N 321.254 3.433 0 40 DGAB O=C1C(=O)N(c2ccc(Cl)cc2)C(=S)N1c1ccccc1 2123044 YSFCBRMRJGQIHO-UHFFFAOYSA-N 316.769 3.005 0 40 DGAB COc1ccccc1OS(=O)(=O)c1c(C)cc(C)cc1C 3204779 FAFIELWCJFJJOP-UHFFFAOYSA-N 306.383 3.388 0 40 DGAB COc1ccc(C(C)=O)cc1COc1ncnc2ccccc12 3346236 BDCNFPUZUMDOSJ-UHFFFAOYSA-N 308.337 3.420 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)OCC(=O)C(C)(C)C 3550766 BQMLDHGYWZHQRM-UHFFFAOYSA-N 314.385 3.261 0 40 DGAB NC(=O)c1ccc(NC(=O)Cc2c(Cl)cccc2Cl)cc1 3609978 CMCOJSNNRJMJID-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB Cc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2C=O)cc1 4723727 SUOYFDHCYGPFPS-UHFFFAOYSA-N 310.758 3.229 0 40 DGAB COc1ccccc1C(=O)N1CCN([C@@H]2CCC[C@H](C)C2)CC1 4745989 SQUUOBNSBPLQNM-JKSUJKDBSA-N 316.445 3.032 0 40 DGAB CCCCCCC1=NN(C(=O)C2CC2)[C@@](O)(C(F)(F)F)C1 5007965 LUWSKGWDRBUQGV-ZDUSSCGKSA-N 306.328 3.206 0 40 DGAB CN1CCN(c2ccccc2NC(=O)CCc2ccccc2)CC1 7105715 WTHQUVXFXMZGLY-UHFFFAOYSA-N 323.440 3.010 0 40 DGAB C[C@@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 8264781 XLOFOCLJKDBQEV-BXKDBHETSA-N 302.296 3.394 0 40 DGAB CC(C)Cn1c(-c2ccc(F)cc2)cnc1S[C@H](C)C(N)=O 9115813 GCFWQTPQKSXNPZ-LLVKDONJSA-N 321.421 3.311 0 40 DGAB CN(C)CCCNC(=O)c1ccc2noc(-c3ccccc3)c2c1 9305710 VHKPTJMZZADNEG-UHFFFAOYSA-N 323.396 3.176 0 40 DGAB COc1ccc(OC)c([C@@H](O)c2nccn2Cc2ccccc2)c1 9421584 FLKORGNGAWZQTM-GOSISDBHSA-N 324.380 3.030 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)NCCCc1nc2ccccc2[nH]1 9756351 HVBHYNNWYIWQGZ-KGLIPLIRSA-N 314.433 3.373 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1F)c1ccccc1 12531135 ALHRPSOBCXRFMI-GOSISDBHSA-N 323.371 3.008 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CC2)cc1 12741521 LQCJVVMWONICAA-UHFFFAOYSA-N 308.381 3.107 0 40 DGAB C[C@@H]1CCc2nc(NC(=O)[C@H]3Cc4ccccc4O3)sc2C1 13011035 DJSMJQIFBNXWRR-QMTHXVAHSA-N 314.410 3.210 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)c3cccc(F)c3)c[nH]2)cc1 13610184 UVHORUWHHCKFEO-UHFFFAOYSA-N 323.371 3.497 0 40 DGAB Oc1cc(-c2cccnc2)nc2cc(-c3ccc(F)cc3)nn12 19340241 IUGBJFMMWXHXII-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB CCCOc1ccccc1NC(=O)c1csc(NC(C)=O)n1 19525175 RHLPHMTTYDXUDF-UHFFFAOYSA-N 319.386 3.143 0 40 DGAB Cc1cc(Nc2ccccc2C(=O)O)nc(N2CCCCC2)n1 19798011 ZWYOHFZMAUITIK-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB Cc1cc2nc(-c3ccc(NC(N)=S)cc3O)oc2cc1C 20154563 HSALCAFXUMOSRB-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB CCOc1ccc(OCC)c(NC(=O)CN2CCC[C@@H](C)C2)c1 22057232 FXJGBWQQNDDVNW-CQSZACIVSA-N 320.433 3.154 0 40 DGAB Cc1cn2nc(N(C)CCOc3ccc(Cl)cc3)sc2n1 28069096 QXJRFTLAQMTQCX-UHFFFAOYSA-N 322.821 3.268 0 40 DGAB CCCSc1nc2ccc(NC(=O)/C=C\C(=O)O)cc2s1 31769032 OFSGXTWZAYZXMC-WAYWQWQTSA-N 322.411 3.378 0 40 DGAB CN1CCC(N[C@H](c2ccccc2)c2ccc3c(c2)OCO3)CC1 31811010 ZUXPDOXLRTVBLN-HXUWFJFHSA-N 324.424 3.189 0 40 DGAB O=C(Nc1cccc2cnccc12)[C@@H]1COc2ccccc2C1 32784512 OPHVBNSECDSMOU-HNNXBMFYSA-N 304.349 3.425 0 40 DGAB Cc1cccc(/C=C(/C(=O)N2CCOCC2)c2cccs2)c1 32906737 ZVIUOCZJRFHUME-DTQAZKPQSA-N 313.422 3.456 0 40 DGAB CCN1CCC[C@@H](OC(=O)c2ccccc2Br)C1 32962578 GFDMNBUOKYWOJB-LLVKDONJSA-N 312.207 3.090 0 40 DGAB CN1C(=O)S/C(=C\Nc2cccc(C(F)(F)F)c2)C1=O 36636146 UADYMARQNNPIQV-TWGQIWQCSA-N 302.277 3.284 0 40 DGAB COc1c(Cl)cc(Cl)cc1CNCCCn1ccnc1 39279939 UPZSJPYZHASUHV-UHFFFAOYSA-N 314.216 3.378 0 40 DGAB CCc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1 40097909 RYRMXOULTKTACX-INIZCTEOSA-N 302.349 3.243 0 40 DGAB CCOC(=O)Cc1csc(SCC(=O)c2ccccc2)n1 40456978 ABIJMXPMKHIHIS-UHFFFAOYSA-N 321.423 3.224 0 40 DGAB CC[C@@H](C)c1noc([C@H]2CCCN(C(=O)c3ccco3)C2)n1 41123199 MYBGILCCIMUXAT-NEPJUHHUSA-N 303.362 3.196 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2cccnc2)ccc1OC(C)C 44868936 JIHUUFMXMOQKFK-CYBMUJFWSA-N 314.385 3.368 0 40 DGAB COc1cc2c(cc1C(=O)Nc1ccc(F)cc1)OCCCO2 46077906 ZBYGOYMWORNCMM-UHFFFAOYSA-N 317.316 3.248 0 40 DGAB CCN(CC(C)C)C(=O)c1[nH]nc(C2CC2)c1Br 49158243 BJHBXUXALUETCQ-UHFFFAOYSA-N 314.227 3.168 0 40 DGAB c1cc2c(cc1SCc1noc(C3CC3)n1)OCCCO2 52888351 WNKNUWWFWUZLHD-UHFFFAOYSA-N 304.371 3.401 0 40 DGAB O=C(c1cn(-c2cc(Cl)cc(Cl)c2)nn1)C(F)(F)F 53647995 RLPATWCKSNYTFO-UHFFFAOYSA-N 310.062 3.319 0 40 DGAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1cccc(F)c1 55649158 DPUNIZYPKQIGPA-UHFFFAOYSA-N 311.382 3.021 0 40 DGAB O=C(Nc1cccc(CN2CCOC2=O)c1)NC1CCCCC1 58157583 VBZADKFSRWMGKY-UHFFFAOYSA-N 317.389 3.093 0 40 DGAB CC(C)CO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 58196574 UDQYWCYJLAOFRE-AWEZNQCLSA-N 305.422 3.072 0 40 DGAB C[C@H](CC(=O)Nc1ccc(Sc2nncn2C)cc1)C1CC1 58283136 OKJQHYMHSFJNRA-LLVKDONJSA-N 316.430 3.341 0 40 DGAB CCc1ccc(-n2cc(C(=O)NCc3ccccc3C)nn2)cc1 67262133 UEGOIROQUTXAQU-UHFFFAOYSA-N 320.396 3.068 0 40 DGAB CCOc1ncccc1NC(=O)[C@H]1C[C@H]1c1ccccc1OC 69392958 FAGVSVCQAOFGOX-KBPBESRZSA-N 312.369 3.231 0 40 DGAB CCc1noc([C@@H](C)N(C)Cc2ccc(OC(F)F)cc2)n1 69414881 YSINSTPZSCBOBB-SNVBAGLBSA-N 311.332 3.426 0 40 DGAB Cc1cccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@@H]2C)c1C 69419797 QWUBMGZZCPSSRB-SUMWQHHRSA-N 322.408 3.311 0 40 DGAB C[C@H](NCc1coc(-c2cccs2)n1)[C@H](C)n1cccn1 69951948 GMLWFJVXRYILIH-RYUDHWBXSA-N 302.403 3.339 0 40 DGAB COc1ccc(CNC(=O)c2cn[nH]c2-c2cccs2)cc1 71115953 MIMUXBJAYIEKHI-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)[C@@H]1C[C@@H]1c1ccccc1 72243860 IUAYONMOXWSNHB-CHWSQXEVSA-N 309.291 3.188 0 40 DGAB COCCn1ccc2cc(NC(=O)NCc3cccnc3)ccc21 72271079 YPQGRFOIQLVVOL-UHFFFAOYSA-N 324.384 3.004 0 40 DGAB C[C@H](O)C[C@H](C)CNC(=O)C(C)(C)Oc1ccc(Cl)cc1 72293652 JAFJMOUOYGAKJZ-RYUDHWBXSA-N 313.825 3.021 0 40 DGAB c1cn(-c2nccnc2[C@@H]2CCCN(C3CCCCC3)C2)cn1 72350475 ZJAUAOZWWIGJQU-OAHLLOKOSA-N 311.433 3.174 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)OCc1ccnc(-n2ccnc2)c1 75104126 JXKXPFSTDLXRLH-ZZXKWVIFSA-N 323.327 3.163 0 40 DGAB CC(C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@@H](C)C2)cc1 75109897 AVRPKPWQNWIYHS-KBPBESRZSA-N 305.422 3.172 0 40 DGAB Cc1ncc2c(n1)CN(Cc1ccc(Br)s1)CC2 75128785 MXVLVRWRZRPQOS-UHFFFAOYSA-N 324.247 3.167 0 40 DGAB Cc1cnc([C@@H](NC(=O)[C@H](C)c2c(C)noc2C)C2CC2)s1 75147762 OFXODUAZERJZRT-OTYXRUKQSA-N 319.430 3.427 0 40 DGAB COC(=O)c1ccnc(NC(=O)c2cc3cccc(F)c3o2)c1 76041486 DHRHGVNYQPCYBF-UHFFFAOYSA-N 314.272 3.006 0 40 DGAB O=C(Nc1ncc(Cl)s1)c1cncc(Br)c1 76042248 KWWQBQUFPZQINR-UHFFFAOYSA-N 318.583 3.206 0 40 DGAB Cc1ccc2cccc(C(=O)N3CC(=O)Nc4ccccc43)c2n1 79000042 VZBSTPXRIURTBB-UHFFFAOYSA-N 317.348 3.142 0 40 DGAB C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc2ccccc12 79097603 BLKQWNLNPLSKKL-ACJLOTCBSA-N 309.413 3.444 0 40 DGAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@@H]1COc2ccccc21 84563774 VXSADCIEDUGSMQ-MRXNPFEDSA-N 319.364 3.295 0 40 DGAB CCOc1ccc(CSc2nc(O)c3ccccc3n2)nc1 88510731 QTWRUVYMLSNVJO-UHFFFAOYSA-N 313.382 3.421 0 40 DGAB O=C(OCCCn1cccn1)c1ccc(-c2cscn2)cc1 88810473 HXZZOXUNKHCPSI-UHFFFAOYSA-N 313.382 3.254 0 40 DGAB COC(=O)[C@H](C)[C@H](NCc1sc(C)nc1C)c1ccccc1 89559218 CJRQHRBXQDSJKE-BZNIZROVSA-N 318.442 3.400 0 40 DGAB FC(F)(F)Sc1ccc(I)nc1 91252794 BVYATXSJMKHWHB-UHFFFAOYSA-N 305.062 3.298 0 40 DGAB Cc1cccc(C)c1CNC[C@@H]1CCN(CC(F)(F)F)C1 95428444 NFUDUVDGZSWFRK-AWEZNQCLSA-N 300.368 3.277 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)N1CCOC2(CCC2)C1 95451655 TVMUATUVDGIWSO-AWEZNQCLSA-N 318.417 3.029 0 40 DGAB Cn1ccnc1[C@@H]1CCCN1Cc1nccn1Cc1ccccc1 95456032 VSBRFBCWEMLQEB-KRWDZBQOSA-N 321.428 3.002 0 40 DGAB CC(C)[C@H](NS(=O)(=O)Cc1ccccc1)c1ccccc1N 95944683 YSLXBJNLYCEKPD-KRWDZBQOSA-N 318.442 3.086 0 40 DGAB Cc1c(C(=O)OCCC2OCCO2)oc2c(Cl)cccc12 95945142 NWMTTWDTCYVOCK-UHFFFAOYSA-N 310.733 3.314 0 40 DGAB C[C@H](CN[C@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 95968224 RRHBUBIPJQHDSD-CHWSQXEVSA-N 313.430 3.178 0 40 DGAB Cc1ccc(CCCCC(=O)Nc2cncnc2N(C)C)cc1 95971643 GVFZWFNVUOCCET-UHFFFAOYSA-N 312.417 3.203 0 40 DGAB O=C(NCc1ccccc1N1CCCCC1)NCC(F)(F)F 95994027 NHOLGTPOYANEBB-UHFFFAOYSA-N 315.339 3.038 0 40 DGAB COC(=O)c1ccc(Cl)c(CN2CCC(NC(C)C)CC2)c1 96004548 QZUHWGAETINOIR-UHFFFAOYSA-N 324.852 3.089 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2c(C)noc2C)o1 96184666 TVBBAILCYUPFFO-ZWKOTPCHSA-N 315.417 3.042 0 40 DGAB O=C(NCc1ccccc1OCC1CC1)[C@H]1C[C@@H]1c1cccnc1 96416764 AKCFOQNGHPLJON-MSOLQXFVSA-N 322.408 3.290 0 40 DGAB Cn1cccc1[C@@H]1CCCCN1C(=O)Cc1noc2ccccc12 96445057 SPXZAOTVJUKEIO-KRWDZBQOSA-N 323.396 3.463 0 40 DGAB COc1ccc(Cn2ccnc2-c2cnccn2)c(Cl)c1 96450942 IDCXXNKTMUEKJY-UHFFFAOYSA-N 300.749 3.050 0 40 DGAB C[C@@H](CCn1cncn1)NCc1ccc(F)c(C(F)(F)F)c1 96484925 AVNJUAXBGLPBLF-JTQLQIEISA-N 316.302 3.004 0 40 DGAB Cc1c(C(=O)OC2CCCCCC2)cnn1C1CCOCC1 97032286 PKJAULIDZIFSFS-UHFFFAOYSA-N 306.406 3.423 0 40 DGAB CCc1nnc(CN2CCC(Cc3cccc(OC)c3)CC2)o1 97086248 TYTZWNDMUVWDLI-UHFFFAOYSA-N 315.417 3.095 0 40 DGAB CC(=O)c1ccc(N(C)C)cc1OCc1noc(C(C)C)n1 97114902 VUUKNZLYOSOGKC-UHFFFAOYSA-N 303.362 3.041 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 97231726 AVRKSGPITMRFJH-HYVNUMGLSA-N 315.413 3.202 0 40 DGAB CC[C@H](N[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 97233923 WXHQVTDONXKUOQ-KBPBESRZSA-N 323.412 3.271 0 40 DGAB O=c1[nH]c(N[C@@H]2CCC[C@H](C(F)(F)F)C2)nc2ccccc12 97994980 FZEIKMFYOGLYDG-VHSXEESVSA-N 311.307 3.456 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1cc(Cl)cc(Cl)c1)[C@H]1C=C[C@H]2C1 100394569 YBLZXUZBJJSUKZ-XMUKKISLSA-N 308.164 3.305 0 40 DGAB C[C@H]1C[C@@H](NCc2ccc(F)c(C(F)(F)F)c2)CCN1C 163458776 CPFZBVXJBWDCCL-JQWIXIFHSA-N 304.331 3.417 0 40 DGAB C[C@H](C1CC1)N(C(=O)Nc1cnn(-c2ccccn2)c1)C1CC1 195531167 IRLCPENOMBZLTB-GFCCVEGCSA-N 311.389 3.062 0 40 DGAB Cc1ccc(OCC(=O)n2cc(C(=O)O)c3ccccc32)cc1 216721504 DQMLGESUOIVIFV-UHFFFAOYSA-N 309.321 3.367 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)s1 222768843 BQFXISOACWYRQX-UONOGXRCSA-N 303.456 3.444 0 40 DGAB O=S(=O)(Cc1c(F)cccc1Cl)NCC1CCCCC1 224182584 NJOYPPVKAYDAJV-UHFFFAOYSA-N 319.829 3.479 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)N[C@@H](C)CC 225010390 WEAYDXYSPPSKJB-GJZGRUSLSA-N 304.434 3.119 0 40 DGAB O=C1CCCN1c1cccc(NC(=S)NC2CCCC2)c1 225278494 BFXVYCDCPOWPED-UHFFFAOYSA-N 303.431 3.042 0 40 DGAB Cc1cc(CCCNC(=O)c2cccc(Br)c2)on1 239593104 DPOALLDSSYZXAQ-UHFFFAOYSA-N 323.190 3.108 0 40 DGAB O=C(Nc1cccs1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252549476 RHNFIQRSTSJAGJ-HAQNSBGRSA-N 318.402 3.050 0 40 DGAB CC(C)C[C@H](NC(=O)[C@H]1CO[C@@H](C)C1)c1nc2ccccc2[nH]1 252553298 VJIOLNXBWILUGP-ZENOOKHLSA-N 315.417 3.191 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)CC2CCCC2)nc(C)n1 257237109 HFEUCINPYLVKCO-OAHLLOKOSA-N 302.422 3.071 0 40 DGAB O=C(c1cnco1)N1CCC[C@H](Cc2cccc3cccnc23)C1 257256278 KKULZZNOHGTBNH-CQSZACIVSA-N 321.380 3.318 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccncn1 257327020 WZOBJFIHBHUBOG-LJQANCHMSA-N 321.424 3.262 0 40 DGAB COCC1(C(=O)Nc2cnc3c(cnn3C(C)C)c2)CCCC1 575225694 KDLJOYDARCVALD-UHFFFAOYSA-N 316.405 3.158 0 40 DGAB COc1cc2c(cc1F)CC[C@@H]2NC(=O)c1cc(C)c(C)o1 577161789 WBRJOKBYPGSEMF-AWEZNQCLSA-N 303.333 3.461 0 40 DGAB CCC(CC)(CNC(=O)c1cc2cccc(F)c2o1)C(=O)O 678991600 VESLPXRALSPFRJ-UHFFFAOYSA-N 307.321 3.193 0 40 DGAB Cc1ccc(CNc2c(NCc3ccc(C)cc3)c(=O)c2=O)cc1 1889211650 QARLYXRROLLTLV-UHFFFAOYSA-N 320.392 3.124 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc(OC)c(F)c2)c1 8943488 CCFQSIQEPYPKMV-UHFFFAOYSA-N 305.305 3.104 0 40 DGAB Cc1ccc(-c2nnn(Cc3nc4ccccc4s3)n2)cc1 416879 DKBDSJKFNOLVGJ-UHFFFAOYSA-N 307.382 3.307 0 40 DGAB CC(C)NCc1cc(-c2ccc(F)c(Br)c2)[nH]n1 61690656 QQEFZULUYMDRGL-UHFFFAOYSA-N 312.186 3.476 0 40 DGAB COc1ccc(SCC(=O)NCCc2ccc(F)cc2)cc1 7135878 BNWCVZROGXUMQV-UHFFFAOYSA-N 319.401 3.285 0 40 DGAB COc1cccc(C(=O)NCCSCc2ccccc2)c1 7642432 ZMQKRYHVEOWHIY-UHFFFAOYSA-N 301.411 3.358 0 40 DGAB Cc1nc(C(F)(F)F)ccc1C(=O)Nc1ccc(N(C)C)nc1 24749616 MWTDQFWGTFSBMB-UHFFFAOYSA-N 324.306 3.122 0 40 DGAB Cc1c([C@H](C)NC(=O)/C=C/c2ccc([C@@H]3C[C@H]3C)o2)cnn1C 25001843 XBUGHCFKYQWQGM-IUAYASOTSA-N 313.401 3.336 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)CCc1cc(F)ccc1F 56133759 GLCZYTPCQRJROI-UHFFFAOYSA-N 321.371 3.068 0 40 DGAB CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 72287119 BEXXSEKTKUWGPF-CHWSQXEVSA-N 324.421 3.188 0 40 DGAB C[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1cccnc1 58266703 UNSXSDCIMQHXOJ-PWSUYJOCSA-N 322.459 3.377 0 40 DGAB C=Cn1ncc(CN(Cc2ccccc2)C[C@H]2CCCO2)c1C 57811015 JWQPQGWTVLYFQU-LJQANCHMSA-N 311.429 3.473 0 40 DGAB Cc1nc(C(=O)N2CCCCC2)nn1-c1ccccc1C(C)C 58357322 YVADEHPFVJQIDU-UHFFFAOYSA-N 312.417 3.325 0 40 DGAB CCN(c1ccc(-c2csc(C3CC3)n2)cc1)S(C)(=O)=O 28335169 GGTSFUKBYUDCCQ-UHFFFAOYSA-N 322.455 3.473 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1C[C@@H](C)OC[C@H]1C 45448610 NDRLRFSVHOZZJP-NXEZZACHSA-N 322.455 3.429 0 40 DGAB C[C@@H](CNC(=O)Nc1ccc(C(C)(C)C)nn1)c1nccs1 97113405 CPBGKDULYQMJGO-JTQLQIEISA-N 319.434 3.156 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1cccnc1Cl 2747507 KVHGGYIQSFGECG-GQCTYLIASA-N 302.717 3.116 0 40 DGAB CN(C)[C@H]1CC[C@@H](NCc2cn(C)nc2C2CCCCC2)C1 97106909 FNVGDSFFIAXCEL-SJORKVTESA-N 304.482 3.040 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)cc1F 3536940 XCLSECDDEXFFEJ-LLVKDONJSA-N 302.324 3.355 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCC(C)CC1 3538689 YBRAGDDDSGOSFR-UHFFFAOYSA-N 310.825 3.327 0 40 DGAB CCN(CC)c1nc(Nc2ccc(C)cc2)c2cnn(C)c2n1 9273246 ZYGMXHCXZWVTQU-UHFFFAOYSA-N 310.405 3.262 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(F)cc1)OCCO2 13946012 YKUVDVQRQBIXTF-UHFFFAOYSA-N 315.300 3.052 0 40 DGAB CN(Cc1cccc(Cl)c1)Cc1nc(=O)c2sccc2[nH]1 14018326 IGVIDJUKOMVGJV-UHFFFAOYSA-N 319.817 3.270 0 40 DGAB CCn1nc(NC(=O)[C@H]2CCCO2)c2cc3cccc(C)c3nc21 5478444 HRJDRHBPHVPJSM-CQSZACIVSA-N 324.384 3.030 0 40 DGAB Cc1nnc(NC(=O)c2ccc(F)cc2Br)s1 14634801 NMTBUWUIMMXRMD-UHFFFAOYSA-N 316.155 3.000 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C3CCCC3)cc2C)CC1 9368953 WACBSWBCCSELRM-UHFFFAOYSA-N 315.461 3.266 0 40 DGAB O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccco1)CCC3 5928472 QCZYEDSQWTTXCA-UHFFFAOYSA-N 304.396 3.251 0 40 DGAB Cc1ccc(C(=O)NCCCn2cnc3ccccc32)cc1F 7256656 NMWRPPTYUXZDIF-UHFFFAOYSA-N 311.360 3.304 0 40 DGAB Fc1cccc(Cc2nnc(SC[C@@H]3CCCCO3)o2)c1 67754751 MFKBYCQPGALOBG-ZDUSSCGKSA-N 308.378 3.461 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)cc1 9499944 BHFVNQLQYQZIOV-MRXNPFEDSA-N 315.756 3.485 0 40 DGAB CCN(c1ccc2nnc(C)n2n1)[C@@H](c1cccnc1)C(C)C 96490226 AJRVZYRHSFWFPZ-QGZVFWFLSA-N 310.405 3.051 0 40 DGAB O=C(O)CCSc1nnc(-c2ccc3ccccc3c2)o1 8362738 CGMRUPMJEZMTDV-UHFFFAOYSA-N 300.339 3.457 0 40 DGAB Cc1cc(COC(=O)Cc2csc(-c3ccsc3)n2)on1 8546414 RAJCWKUROAOJOC-UHFFFAOYSA-N 320.395 3.454 0 40 DGAB CCCc1nnc(NC(=O)c2cnc(-c3ccco3)s2)s1 69771603 IQCVXCUIVUKAFL-UHFFFAOYSA-N 320.399 3.459 0 40 DGAB CC(=O)Nc1ccc(Cl)c(NCC(=O)NC2CCCCC2)c1 71896908 KDIMWZOWUGGXMW-UHFFFAOYSA-N 323.824 3.159 0 40 DGAB CCc1ncc2c(n1)CN(Cc1cc(-c3ccccc3)no1)CC2 69951052 RWLOORHAUXDLKY-UHFFFAOYSA-N 320.396 3.252 0 40 DGAB Cc1cn2c(/C=C/C(=O)Nc3nccs3)c(C)nc2s1 8719946 PHVKEHLQMZMSJA-ONEGZZNKSA-N 304.400 3.121 0 40 DGAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(Cc2ccco2)CC1 95406236 YDXUPPYABOWVCQ-AWEZNQCLSA-N 317.433 3.444 0 40 DGAB CC(C)n1cc(NC(=O)N[C@H]2CCOC3(CCCC3)C2)cn1 98020596 OOMGHXBNSPGOOB-ZDUSSCGKSA-N 306.410 3.077 0 40 DGAB COC[C@H]1CCCN(C(=O)Nc2cc(-c3ccccc3)on2)C1 85606162 ZPXZPITWFOGPGV-ZDUSSCGKSA-N 315.373 3.232 0 40 DGAB O=C(N1C[C@@H]2CCCC[C@H]2C1)C1(c2ccccc2)CCOCC1 89827747 ZHYAQKDMSIYPCF-IRXDYDNUSA-N 313.441 3.383 0 40 DGAB CCC(CC)c1cc(CNC(=O)Cc2ccccc2O)on1 75459131 LMFJTAAPSMEVAV-UHFFFAOYSA-N 302.374 3.143 0 40 DGAB Nc1ccc(C(F)(F)F)cc1C(=O)Nc1cc2cc[nH]c2cn1 1557288811 VPGRKPTVTJPESS-UHFFFAOYSA-N 320.274 3.416 0 40 DGAB Cc1cccc(C(=O)NCc2ccccc2-n2ccnc2C)c1 20047894 AOMJNCNXEZWVJR-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB CCc1ccc(NCCc2n[nH]c(-c3cccc(N)c3)n2)cc1 62719420 SIKCVKXLECYHSJ-UHFFFAOYSA-N 307.401 3.271 0 40 DGAB COc1ccc(CC(=O)Sc2nnc(-c3ccco3)o2)cc1 408527219 FLMMOVWIQROCIO-UHFFFAOYSA-N 316.338 3.200 0 40 DGAB COCCn1cc(NC(=O)Nc2ccccc2C(C)(C)C)cn1 127941794 QTFBEGJLQOIKIV-UHFFFAOYSA-N 316.405 3.471 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N2CCC[C@](C)(F)C2)c(OC)c1 1520021581 MJLPTNNPFIQBSN-PXAZEXFGSA-N 324.396 3.298 0 40 DGAB CSc1nc(C(F)F)cc(N2C[C@H](C3CC3)O[C@H](C)C2)n1 521395293 WQHYQBOWGWXXNW-LDYMZIIASA-N 315.389 3.140 0 40 DGAB O=C(NCc1ccccc1)NC[C@@H](O)c1cccc2ccccc12 70636281 PDCVGYQKXIJMGP-LJQANCHMSA-N 320.392 3.373 0 40 DGAB O=C1NCCCC[C@H]1SCc1ccc(F)c2cccnc12 78555723 MBJQBOFDGNZREW-CQSZACIVSA-N 304.390 3.276 0 40 DGAB COc1ccc(-c2nnc(-c3c(C)nc4ccccn34)o2)cc1 216612094 KVZOJLGWSDGPDI-UHFFFAOYSA-N 306.325 3.368 0 40 DGAB Cc1cc(C)cc(-n2ccc(Br)c(C=O)c2=O)c1 218805774 NYJRFOHUEBAKEA-UHFFFAOYSA-N 306.159 3.029 0 40 DGAB O=C(Nc1cn[nH]c1)Nc1nc(-c2ccccc2Cl)ns1 184388028 AHLGOKDASFGWCV-UHFFFAOYSA-N 320.765 3.226 0 40 DGAB COc1cc(C)c(C(=O)NCCCn2ccnc2)cc1C(C)C 225664939 CTIONCLWSHXNQR-UHFFFAOYSA-N 315.417 3.144 0 40 DGAB CCNC(=S)Nc1ccc(N2CCCc3ccccc32)nc1 223868483 VIILGJZKNZPQRW-UHFFFAOYSA-N 312.442 3.472 0 40 DGAB Cc1cscc1C(=O)Nc1cccc2c1CN([C@H](C)CO)C2 195560346 ZOJJMSKVBSWEEI-GFCCVEGCSA-N 316.426 3.005 0 40 DGAB CCc1ccccc1C[C@H](Oc1cccc(OC)c1)C(=O)O 225040604 CQAURISWDVFOHD-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB COc1cccc(O[C@H](C)C(=O)Nc2ccccc2OC)c1 40945980 PGLILWOKNMDELU-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB CC(=O)c1ccc(C(=O)O[C@H]([C@H]2CCCO2)C(F)(F)F)cc1 96485260 ACDQHMJCEMUDSB-CHWSQXEVSA-N 316.275 3.156 0 40 DGAB Cc1nc(COCc2cnc3n2CCN(C(C)C)[C@@H]3C)cs1 96206017 YHJDUCCSAGXNMX-GFCCVEGCSA-N 320.462 3.150 0 40 DGAB Cc1nc2c(s1)[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)CCC2 96476811 UCKITJSSOUWCIV-ZYHUDNBSSA-N 319.396 3.055 0 40 DGAB CN(C)C(=O)C[C@@H](NCc1cc(F)cc(F)c1)c1ccccc1 97229831 TUCOQUADQDJPPP-QGZVFWFLSA-N 318.367 3.274 0 40 DGAB O=C(Nc1nccn1Cc1ccccc1Cl)c1ccncc1 96406399 NBKMGTOWGWDOQJ-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB OCCn1cc(-c2cc(OC(F)(F)F)ccc2Cl)cn1 96140115 OLCNKIVMHADNAH-UHFFFAOYSA-N 306.671 3.094 0 40 DGAB CCc1nsc(SCc2nnc(C3CC3)n2C2CC2)n1 96501465 DQTYIDHTKKZMGC-UHFFFAOYSA-N 307.448 3.197 0 40 DGAB CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(C)s1)CCO2 96051871 DNZCVOFYOLJAFX-DOTOQJQBSA-N 309.475 3.464 0 40 DGAB Cc1ccc(C(=O)N2CC[C@@]3(C)OC(C)(C)CC[C@H]3C2)nc1 585286709 UGVSKAIRPDCKCE-KBXCAEBGSA-N 302.418 3.200 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(Cc2ccn(C)c(=O)c2)C2CC2)o1 51183386 YOXXOAKGMSENNH-DYVFJYSZSA-N 312.413 3.266 0 40 DGAB O=C(Nc1ccccn1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 57197756 FGVQWNPJBJAOOF-GDBMZVCRSA-N 315.348 3.263 0 40 DGAB CN(C(=O)[C@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 40017164 DLZXMQRRVMHGEZ-GOSISDBHSA-N 324.405 3.278 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)c(C)c1CNCC1(CO)CC1 80246785 UXEXUCNMMQUJTE-UHFFFAOYSA-N 319.836 3.005 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NCc2cncs2)C1 97095781 FFJLTUBFEBEPSM-NEPJUHHUSA-N 311.451 3.069 0 40 DGAB CC[C@@]1(c2ccc(Cl)cc2)O[C@H](COC(N)=O)CS1 5469203 FINMYRAPEGYUCL-DGCLKSJQSA-N 301.795 3.130 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccc2c(c1)OC(F)(F)O2 13012892 FLTDRSBMEWRETQ-UHFFFAOYSA-N 309.243 3.328 0 40 DGAB c1cncc(CN(Cc2ccnc(-c3cccnc3)n2)C2CC2)c1 19338714 DMVIEYZWSDUMHY-UHFFFAOYSA-N 317.396 3.098 0 40 DGAB CCCc1nnc(S/C(=C\c2sccc2C)C(=O)O)[nH]1 7342355 ZSJFGYZZBHHMHF-YFHOEESVSA-N 309.416 3.345 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3cccs3)cc2NC1=O 8016008 FCIGLFOJLVWPLZ-STUBTGCMSA-N 314.366 3.119 0 40 DGAB Cc1cn2nc(C(=O)Nc3ccc(Cl)cc3F)ccc2n1 1888909506 KGIVEHZKOGAMPP-UHFFFAOYSA-N 304.712 3.083 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ncnc3sccc23)C1 1889139261 YYQCRFPPWQDLKL-LBPRGKRZSA-N 312.398 3.052 0 40 DGAB COc1ccccc1CCNC(=O)Cc1ccccc1Cl 14603501 GEKBGHAPDHNEOB-UHFFFAOYSA-N 303.789 3.250 0 40 DGAB CCCCSCC(=O)Nc1cc2c(cc1C(C)=O)OCO2 24645027 RAGDWAGRMSKBIX-UHFFFAOYSA-N 309.387 3.090 0 40 DGAB NC(=O)c1ccc(NC(=O)c2cc(Cl)sc2Cl)cc1 12621630 YUKVMXGOTCJLTK-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB Cc1csc(SCCCNC(=O)Nc2cc(C)on2)n1 4941572 SCTCLZGZDDOZJB-UHFFFAOYSA-N 312.420 3.052 0 40 DGAB CC(=O)c1sc(NC(=O)c2ccno2)nc1-c1ccccc1 10253835 STNFXJQSKXWSKB-UHFFFAOYSA-N 313.338 3.253 0 40 DGAB COc1cc(F)c(C(=O)C(F)(F)Br)cc1F 309203892 ZVGJVDRIHXYGAD-UHFFFAOYSA-N 301.033 3.144 0 40 DGAB O=C(Nc1nnc(SCc2ccccc2F)s1)NC1CC1 35590139 HQWRJRQCUPJHSI-UHFFFAOYSA-N 324.406 3.253 0 40 DGAB CCOc1ccc(-c2nnc(NC(=O)C(C)C)o2)cc1OCC 36680612 QVYBFYIRMHDLBA-UHFFFAOYSA-N 319.361 3.129 0 40 DGAB COc1ccc(CNC(=O)Nc2nc(CSC)cs2)cc1 38486291 BPUQUNBDRIXZOB-UHFFFAOYSA-N 323.443 3.336 0 40 DGAB COc1ccc(NC(=O)c2c(N)sc(C(C)=O)c2C)cc1 8536138 ZOLIGAMMCRPKJS-UHFFFAOYSA-N 304.371 3.102 0 40 DGAB O[C@](/C=C/c1ccc(F)cc1)(Cn1ccnc1)c1cccnc1 4626498 JXJYOUPEMAQRAH-LKGOPFMKSA-N 309.344 3.018 0 40 DGAB O[C@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1 36264047 FAFMFJPPHBNUEZ-ZDUSSCGKSA-N 311.410 3.319 0 40 DGAB CCOc1ccc(NC(=O)NCCc2ccccc2OC)cc1 40095557 GZBYEGFZDRIUIZ-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCCN1CCc2ccccc2C1 30363171 ZRZJMOBALJATAT-JXMROGBWSA-N 324.399 3.013 0 40 DGAB O=C(NCCc1ccccc1)Nc1ccc(N2CCCC2)nc1 31030423 OYVGQFRSGIVDHE-UHFFFAOYSA-N 310.401 3.046 0 40 DGAB O=C(CCc1ccccc1O)NCc1cccc(OC(F)F)c1 50378473 FFZVDOGARXJNFO-UHFFFAOYSA-N 321.323 3.243 0 40 DGAB O=C(c1c[nH]c2ccccc12)N1CCN(Cc2ccccc2)CC1 20405087 KGJKHWBESJPEQO-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB C[C@H](NC(=O)Cc1cccs1)c1ccc2c(c1)CCC(=O)N2 40553545 DFLAEKPZTXYRSS-NSHDSACASA-N 314.410 3.053 0 40 DGAB Cc1ccccc1C(=O)Nc1ncc2c(n1)CC(C)(C)CC2=O 547066 RZSPXSHEMJTBDA-UHFFFAOYSA-N 309.369 3.192 0 40 DGAB CCOC(=O)[C@@H](Cc1ccc(OC)cc1)c1nc2ccccc2[nH]1 549500 BFJAEPUBISXQCV-HNNXBMFYSA-N 324.380 3.461 0 40 DGAB COc1ccc2oc(C)c(C(=O)N3CCO[C@H]4CCC[C@@H]43)c2c1 53385812 YOJAESHTIVLJEF-HOCLYGCPSA-N 315.369 3.143 0 40 DGAB CN(C)c1ccc(NC(=O)c2cc3ccccc3cc2O)cn1 22396346 BOFVWOSPCIHMBF-UHFFFAOYSA-N 307.353 3.259 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccc(N2CCOCC2)cc1 146286 WGWWYAAAGWDTJM-IZZDOVSWSA-N 308.381 3.175 0 40 DGAB CC(C)COC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCC1 260588 MCPPBRQXAJMTNO-OAHLLOKOSA-N 310.438 3.082 0 40 DGAB Cc1sc2ncnc(SCC(=O)N3CCCCC3)c2c1C 303509 QXQZHMMNFMUNFD-UHFFFAOYSA-N 321.471 3.413 0 40 DGAB COC(=O)c1ccccc1NC(=O)CSc1ccc(F)cc1 480325 UFCFVZHVBSNATK-UHFFFAOYSA-N 319.357 3.343 0 40 DGAB CCc1ccc(OCCCC(=O)Nc2nnc(C)s2)cc1 1773452 KPIYWLGOSBLOHK-UHFFFAOYSA-N 305.403 3.207 0 40 DGAB Cn1cccc1C(=O)OCc1nnc(-c2ccc(Cl)cc2)o1 2644308 AGVVTBXAGFDBCX-UHFFFAOYSA-N 317.732 3.086 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccsc2)c1 3347365 IPNRKYBWWCKXFE-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB COc1ccc(NC(=O)/C=C/c2cccc(F)c2)c(OC)c1 3615227 XYEJRAOVLYPLMM-RMKNXTFCSA-N 301.317 3.495 0 40 DGAB C[C@H](n1c(=O)[nH]c2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 3851484 SKCULMWIJAJXJP-PGBBXINNSA-N 324.424 3.467 0 40 DGAB O=C(Cc1ccccc1)NCc1c(F)c(F)c(F)c(F)c1F 4851395 LEHHGDXVZGCMBK-UHFFFAOYSA-N 315.241 3.241 0 40 DGAB CCOC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 5034287 UIQILMLLDZCAND-UHFFFAOYSA-N 323.348 3.278 0 40 DGAB CN(C)c1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 5452332 GZABCTQOBQXZPM-UHFFFAOYSA-N 308.385 3.200 0 40 DGAB CCOc1ccc(C(=O)NC(=S)OC(C)C)cc1Cl 6488399 VNWWKYJDNKHZBH-UHFFFAOYSA-N 301.795 3.178 0 40 DGAB O=C(COC(=O)c1ccc(Cl)nc1)c1ccc2c(c1)CCC2 6633910 CIVOGKDQQNLGCX-UHFFFAOYSA-N 315.756 3.263 0 40 DGAB CN1C[C@H](c2nc3ccccc3n2Cc2ccccc2)CC1=O 6664242 AGMVYQFWYJCVGK-OAHLLOKOSA-N 305.381 3.030 0 40 DGAB CCc1n[nH]c(=S)n1NCc1ccccc1C(F)(F)F 8339404 ZPMZPNUOXPBFRW-UHFFFAOYSA-N 302.325 3.266 0 40 DGAB O=C(NC1CC1)[C@@H](Sc1ccc(Cl)nn1)c1ccccc1 10653640 KJGIZXCJBXRMGZ-AWEZNQCLSA-N 319.817 3.242 0 40 DGAB Cc1ccc(OCCNc2cc(S(C)(=O)=O)ccc2C)cc1 11037981 TYVKJOBUGZBKHH-UHFFFAOYSA-N 319.426 3.198 0 40 DGAB Cc1ccc(OCC(=O)Nc2cc(C(C)(C)C)nn2C)cc1C 14116122 MYPBTOSELYLNBC-UHFFFAOYSA-N 315.417 3.352 0 40 DGAB Cc1ccc(OC[C@H](O)Cn2c(C)nc3ccccc32)cc1C 15860725 NFGDGWKRMMNGEW-MRXNPFEDSA-N 310.397 3.401 0 40 DGAB COc1ccc(CN2CCCCC[C@@H]2c2ccn(C)n2)cc1O 19291067 DSKOUAAKAHRFDP-MRXNPFEDSA-N 315.417 3.252 0 40 DGAB CCc1ccc(C2N3CC4(CC)CN2CC(CC)(C3)C4=O)cc1 19323336 FFNRSVFIFPGHQX-UHFFFAOYSA-N 312.457 3.254 0 40 DGAB biogenic O=C(NCCc1csc(-c2cccnc2)n1)C1CCCCC1 19942433 NJKCOQNORUGVOJ-UHFFFAOYSA-N 315.442 3.444 0 40 DGAB CCC(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1 22330796 ODZAAIZAZBSRSK-UHFFFAOYSA-N 308.425 3.330 0 40 DGAB C[C@H](NC(=O)c1ccc(Br)cc1F)c1ccncc1 22622109 ABHRREKLSNLSMQ-VIFPVBQESA-N 323.165 3.474 0 40 DGAB CCc1noc(C)c1C(=O)NCCOc1ccc(Cl)cc1 23272282 ZPUOBWAYKVIKAB-UHFFFAOYSA-N 308.765 3.008 0 40 DGAB O=C(Cc1ccccc1)NCc1ccc(CN2CCCC2)cc1 24115157 JTGKVIKNCKIQGL-UHFFFAOYSA-N 308.425 3.141 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCSc1ccccc1 24383401 MPEFIBQCROTOHY-AWEZNQCLSA-N 301.411 3.362 0 40 DGAB Cc1ccccc1OCCOC(=O)c1cn2c(C)cccc2n1 24963644 VYIREUGEZGSGTD-UHFFFAOYSA-N 310.353 3.187 0 40 DGAB OCCCSc1nnc(-c2c[nH]c3ccccc23)n1C1CC1 26614878 UIKWBTLUOXVDIJ-UHFFFAOYSA-N 314.414 3.236 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H]2[C@@H](C=C(Cl)Cl)C2(C)C)C[C@@H](C)O1 27024674 OIELKWRUCPJWBR-BFLSOPEQSA-N 306.233 3.213 0 40 DGAB COc1ccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)cc1OC 27216430 NRRSKDAOMHQJGK-OAHLLOKOSA-N 318.760 3.211 0 40 DGAB COCCN(Cc1cccs1)C(=O)NCCc1ccccc1 27357742 GIQBOCSNEYCPJP-UHFFFAOYSA-N 318.442 3.149 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nccs1 27975855 AZYYWHHMGADEFE-AWEZNQCLSA-N 302.399 3.428 0 40 DGAB Cc1cccc(OCCOC(=O)c2cc(Br)c[nH]2)c1 28176998 WCTFGJQEEVCCNG-UHFFFAOYSA-N 324.174 3.321 0 40 DGAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 28284916 MLAREOQAQHPNDM-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CC(C)=CC(=O)O[C@@H](C)C(=O)N[C@@H](C)CCc1ccccc1 32910001 MAYSGQHVEAJCNK-GJZGRUSLSA-N 303.402 3.022 0 40 DGAB COc1ccc(NC(=O)N2CCC(N3CCCCC3)CC2)cc1 35311669 IRYOBRSCIUPJRY-UHFFFAOYSA-N 317.433 3.177 0 40 DGAB COc1ccc2c(C(=O)CN3CCc4ccccc4C3)c[nH]c2c1 35830071 XHWUSSLCRKWQMQ-UHFFFAOYSA-N 320.392 3.418 0 40 DGAB biogenic Nc1cccc(C(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)c1 40817544 GLHGJZDGPQOWMK-UHFFFAOYSA-N 320.396 3.165 0 40 DGAB CCOC(=O)CCCC(=O)c1sccc1Br 43214431 QOWLYHMPXWTAMU-UHFFFAOYSA-N 305.193 3.427 0 40 DGAB O=C(O)/C=C/c1ccc(Br)c(Br)c1 44214775 NTDOAJXXSDMGBQ-DUXPYHPUSA-N 305.953 3.309 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCCc3c2cnn3C)oc2ccccc12 47490195 QQFBAKSKAYNNFV-CQSZACIVSA-N 309.369 3.282 0 40 DGAB c1cnc(N2CCC[C@@H](Nc3ccc4ccccc4n3)C2)nc1 48326618 BHHZQQZSQWZBCP-OAHLLOKOSA-N 305.385 3.106 0 40 DGAB CN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 51356105 MZWPNVPZQTZMGG-UHFFFAOYSA-N 303.745 3.160 0 40 DGAB COc1ccccc1S(=O)(=O)N(C)[C@H](C)c1ccc(F)cc1 53698827 SJJLBIARXHQOFO-GFCCVEGCSA-N 323.389 3.216 0 40 DGAB CC(C)(C)OC(=O)NC(C)(C)C(=O)Nc1ccc(F)cc1F 58063131 HUAXLTBXUKAHHO-UHFFFAOYSA-N 314.332 3.207 0 40 DGAB COC(=O)c1ccc(NC(=O)NCc2cccs2)c(C)c1 58368025 FFNGWHOQXCQCCZ-UHFFFAOYSA-N 304.371 3.165 0 40 DGAB C[C@@H](NC(=O)Nc1ccccn1)c1nc(-c2ccccc2)c[nH]1 58433295 SRCCMUDIZNVOCG-GFCCVEGCSA-N 307.357 3.354 0 40 DGAB Cc1cc(C)n(CC2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 62017835 DLGLBLDSFOXOGG-CMDGGOBGSA-N 323.440 3.452 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)CC(F)(F)F)cn1 66510530 XXOCPKIDIKWNRE-UHFFFAOYSA-N 319.283 3.320 0 40 DGAB Cn1cnc2c1CCN(Cc1cc(Cl)cc3cccnc13)C2 69919995 UUPSVGGHZHHKMR-UHFFFAOYSA-N 312.804 3.180 0 40 DGAB Cc1ccc([C@H](NC(=O)CCN2CCSC2=O)C(C)(C)C)o1 70005436 IPYCZVDLOXHBRP-AWEZNQCLSA-N 324.446 3.350 0 40 DGAB Cc1ccc(F)cc1C(=O)Nc1sc(C)c(C)c1C(N)=O 71795839 CFMPGCXLRRUIFB-UHFFFAOYSA-N 306.362 3.164 0 40 DGAB COCCS(=O)(=O)N[C@H](c1ccc(C(C)C)cc1)C(C)C 72230427 BJTNNXBGNNPBBX-INIZCTEOSA-N 313.463 3.073 0 40 DGAB Cc1ccc(CC(=O)Nc2cccc(C[S@](C)=O)c2C)cc1 72286775 VPVFTIMQEFJEHH-JOCHJYFZSA-N 315.438 3.363 0 40 DGAB Cc1cccc(CC(=O)Nc2cccc(C[S@@](C)=O)c2C)c1 72286788 TWOUYORPMPRXRF-QFIPXVFZSA-N 315.438 3.363 0 40 DGAB CC(=O)N1CCC(c2nccnc2Oc2ccc(C)cc2)CC1 72361737 LDLVJDSHSPRPCN-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB O=C(c1cncs1)N1CC[C@@H](Cc2cnc3ccccc3c2)C1 72368459 RCGAMBWLRVTFCR-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB Cc1cnc2[nH]c(C(F)(F)F)c(CN3CCSCC3)c2c1 72395399 NRDWDRHZLZAKQC-UHFFFAOYSA-N 315.364 3.439 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc(F)cc2Cl)c1O 75094447 JMDYYQAILIQDDF-UHFFFAOYSA-N 315.753 3.294 0 40 DGAB O=C(CCc1cccs1)Nc1cc(C(F)(F)F)c[nH]c1=O 75111039 LHNLOMIHOFKAEV-UHFFFAOYSA-N 316.304 3.027 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1cccc(C(F)(F)F)c1)C1CC1 79421076 MCLBUCDXGZKWSA-AWEZNQCLSA-N 314.351 3.180 0 40 DGAB CCO[C@@H](C)c1noc(C2=Cc3cc(OC)ccc3OC2)n1 84800599 HDCHBPOVSKNQBQ-JTQLQIEISA-N 302.330 3.109 0 40 DGAB CCc1ccc(CC)c(NC(=O)NCCc2cnn(C)c2C)c1 89284679 QVMBLDTZNSLACL-UHFFFAOYSA-N 314.433 3.218 0 40 DGAB CCn1c([C@H]2CCCN2Cc2cnn(C)c2)nc2ccccc21 89305478 LKEZZYGIRKBROA-QGZVFWFLSA-N 309.417 3.127 0 40 DGAB O=C(N1C[C@H]2CCC[C@H]2C1)C1(c2ccc(F)cc2)CCOCC1 89783119 WUQLGAZOLMHBKH-GASCZTMLSA-N 317.404 3.132 0 40 DGAB O=C1COc2cc(NC(=O)c3ccc4sccc4c3)ccc2N1 89807751 ABTCRBXIFRKTAT-UHFFFAOYSA-N 324.361 3.485 0 40 DGAB CC(C)[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1Cl 91280640 UDWBKVRRRCNTON-DOMZBBRYSA-N 315.866 3.061 0 40 DGAB c1cc(-c2noc(COCC3CC3)n2)cc(N2CCCCC2)n1 95394448 PRNQDNFVWDWUJB-UHFFFAOYSA-N 314.389 3.049 0 40 DGAB CC[C@@H](CCNCc1cnc(C2CCC2)s1)N1CCCC1=O 95415462 DYIPFZFWCTVHDJ-AWEZNQCLSA-N 321.490 3.291 0 40 DGAB CC(=O)N1CCC(CCN[C@H](C)c2cc(F)cc(F)c2)CC1 95423685 JATOJGVCYLUMCH-GFCCVEGCSA-N 310.388 3.264 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCO[C@H](C)C1 95457849 SBCOCDVQXRFUSF-YPMHNXCESA-N 318.392 3.089 0 40 DGAB CCOC(=O)C(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 95634650 FUHUKGAFWDZSMM-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB COc1ccc(CN[C@@H]2CCCc3cn(C(C)C)nc32)cc1O 96002632 CTEUJZYDNYWRNT-OAHLLOKOSA-N 315.417 3.345 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCS[C@@H](C)[C@H]2C)cc1 96411130 IAXFEWBPDHNVRQ-RXFWDACYSA-N 318.442 3.011 0 40 DGAB CC(C)C[C@H](NC(=O)[C@@H](C)C1CCOCC1)c1ccccn1 96484902 GHGKKPCUMULYEO-YOEHRIQHSA-N 304.434 3.348 0 40 DGAB CC[C@@H](NCc1ccc(N2CCCC2)nc1)c1cnn(CC)c1 97014418 OEGPUOCLBVGHHM-QGZVFWFLSA-N 313.449 3.139 0 40 DGAB C[C@H](CC1CCOCC1)Nc1ccccc1O[C@@H]1CCOC1 97037972 FPHOXZJQPITFDG-GDBMZVCRSA-N 305.418 3.471 0 40 DGAB CC[C@@H]1C[C@H](C(=O)Nc2ccnn2Cc2ccsc2)CCO1 97053260 XYTPOAKOMKLVGL-ZIAGYGMSSA-N 319.430 3.137 0 40 DGAB Cc1ccc(-c2noc(-c3nc(-c4ccccn4)no3)n2)cc1 98212381 BQJZOPFAONTTBV-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB CCOc1ccc([C@H]2C3=C(O)CCCC3=Nc3ncnn32)cc1 102669726 MOBJKCMODXDCRH-INIZCTEOSA-N 310.357 3.348 0 40 DGAB O=C(CCn1cccn1)N[C@@H](c1ccc(F)cc1)C1CCC1 104425679 GKRYAWGAXVDQSX-QGZVFWFLSA-N 301.365 3.070 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118926467 SOQWQZZNPGBTQR-YSQGUYPVSA-N 304.430 3.138 0 40 DGAB C[C@H]1C[C@@H](c2cccnc2)N(C(=O)CCC(=O)OC(C)(C)C)C1 192355516 VAVXDNXOFZNVCT-ZFWWWQNUSA-N 318.417 3.113 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C\c2cccc(OC)c2O)C1=O 208531878 XTSAAJVTMVDWSH-ZPBHHCQCSA-N 307.371 3.236 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2C)s1 223297480 FVFUQZWZNUVHEI-SNVBAGLBSA-N 323.443 3.283 0 40 DGAB COc1ccccc1OC[C@H](C)NC(=S)Nc1ccccc1 225784914 FUGCPBHNHNAECK-ZDUSSCGKSA-N 316.426 3.449 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@H]1C[C@H]1c1ccco1 245344201 YBYKPWDGYXBMPF-BMFZPTHFSA-N 310.397 3.250 0 40 DGAB Clc1cccc2c1OCCC[C@@H]2Nc1nccn2cnnc12 253417702 ISPWQJSWSNXMAN-LBPRGKRZSA-N 315.764 3.104 0 40 DGAB Cc1cc(CC[C@@H]2CCCN2C(=O)c2c(C)noc2C)ccn1 257295969 RAQJKPPVYCCSSJ-INIZCTEOSA-N 313.401 3.232 0 40 DGAB Cc1ccc(C(=O)N2C[C@H]3CCC(=O)c4cccc2c43)nc1C 298674972 UIYXVCHXZHMNDG-CYBMUJFWSA-N 306.365 3.419 0 40 DGAB COc1cccc(N2CCN(c3ncc(Cl)cc3F)CC2)c1 301576035 YTNHFQGHEJTTLK-UHFFFAOYSA-N 321.783 3.209 0 40 DGAB CCN(C(=O)c1oc2c(c1C)C(=O)CCC2)c1ncccc1C 332255592 UWJAKSYYIYPFHJ-UHFFFAOYSA-N 312.369 3.477 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccc(CC)cc1 408707966 UAXWWZMAYBHATD-INIZCTEOSA-N 318.461 3.198 0 40 DGAB O=C(Nc1ccc(Cl)cc1)[C@H](c1ccccc1)n1cncn1 408734466 SNBREQIOWUGVIF-HNNXBMFYSA-N 312.760 3.160 0 40 DGAB CCOc1c(F)cccc1C(=O)N1CCC(F)(F)C[C@H]1C 530018887 WVEBZNIBCRFSFT-SNVBAGLBSA-N 301.308 3.484 0 40 DGAB CN1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1(C)C 550117091 SLMMDFKOAAPZAA-UHFFFAOYSA-N 322.452 3.371 0 40 DGAB c1csc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)c1 585103250 SJIDNWPLBBVIRK-HNNXBMFYSA-N 307.459 3.156 0 40 DGAB C[C@@H](NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1ccc(F)cc1 1539329506 VGCSMDUEXMKLEI-QFSBIZTOSA-N 315.344 3.231 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2cccs2)cc1)c1ccco1 1775976499 AQFLENLWQVMBRK-AWEZNQCLSA-N 313.378 3.472 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)C3CC(F)(F)C3)C2)n1 1775995516 APUYECZUVMQLGK-ZDUSSCGKSA-N 324.371 3.053 0 40 DGAB Clc1cnn(C2C[C@@H]3CC[C@H](C2)N3CC2CCOCC2)c1 1776009071 SZCCBXDQNUSZTJ-XYPWUTKMSA-N 309.841 3.131 0 40 DGAB CCOC(=O)c1sc(=S)n(-c2ccc(OC)cc2)c1N 89979 ZDHSODVAAWIGSA-UHFFFAOYSA-N 310.400 3.036 0 40 DGAB CC1CCN(S(=O)(=O)c2ccc(Cl)cc2Cl)CC1 297410 VVEGNIMEODLLFJ-UHFFFAOYSA-N 308.230 3.414 0 40 DGAB Cc1ccc2c(c1)[C@@](O)(CC(=O)c1ccccc1Cl)C(=O)N2 1320293 SITSYGASBXJFMA-KRWDZBQOSA-N 315.756 3.061 0 40 DGAB CCN[C@H](C1CCCCC1)[C@H](C)OC(=O)c1ccc(N)cc1 1711724 AAHFSQZVCCRFLB-GUYCJALGSA-N 304.434 3.373 0 40 DGAB CC(C)OCCCNc1ncnc2c1cnn2-c1ccccc1 2367768 MOSZDNKNHYZIFJ-UHFFFAOYSA-N 311.389 3.043 0 40 DGAB CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)NC1CCCCC1 2634676 JMCZWBAXYCCCDO-INIZCTEOSA-N 320.408 3.029 0 40 DGAB Cc1cc(C(=O)COc2ccc3ccc(=O)oc3c2)c(C)n1C 2645866 UBIUQYVNNHPBFW-UHFFFAOYSA-N 311.337 3.010 0 40 DGAB Cc1occc1-c1nnc(SCC(=O)N2CCCC[C@@H]2C)o1 2662842 YWMILLCFXYKZMI-JTQLQIEISA-N 321.402 3.131 0 40 DGAB Cc1cccc(NC(=S)N[C@H](CC(=O)O)c2ccccc2)c1 2747734 YMGXPKGSIFFGTA-OAHLLOKOSA-N 314.410 3.497 0 40 DGAB CCCCCCN[C@@H](CC(=O)Nc1ccc(CC)cc1)C(=O)O 4279960 HMQSMQXURNXLCW-INIZCTEOSA-N 320.433 3.201 0 40 DGAB COc1ccc(OC)c(NCc2nnc(-c3ccccc3)o2)c1 4384708 BPKSIWCQKHZDEA-UHFFFAOYSA-N 311.341 3.366 0 40 DGAB CCC(=O)Nc1ccc2nc(C)n(Cc3ccccc3)c(=O)c2c1 4847945 YVJGCDFPDHNEOI-UHFFFAOYSA-N 321.380 3.102 0 40 DGAB O=C(Nc1cccc(Cl)c1)Nc1ccc(O)c(C(=O)O)c1 5375240 CGAXWKUADJLTDA-UHFFFAOYSA-N 306.705 3.388 0 40 DGAB O=C(CCc1ccccc1)Nc1cccc(N2CCCC2=O)c1 5440500 CGUZROLNPNGZJR-UHFFFAOYSA-N 308.381 3.385 0 40 DGAB COc1cccc(C(=O)Nc2cccc(N3CCCCC3=O)c2)c1 5441656 JDYMAVDRLRGGLO-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(F)c(F)c2)cc1OC 5514297 YKGMPEIFPHEHKF-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB CC1(C)c2ccccc2N2CCC(=O)N[C@]21/C=C/c1ccncc1 5645083 KLXNXZNHAAOSGH-WUTDNEBXSA-N 319.408 3.109 0 40 DGAB COc1cc(/C=C2/C(=O)N(C)c3ccccc32)ccc1OC(C)=O 6551760 MYNQKKNFYBGQKK-XNTDXEJSSA-N 323.348 3.138 0 40 DGAB NC(=O)c1ccccc1OCc1ccccc1Br 7425259 BVVZRWTVKDMLCN-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB CN(Cc1cccs1)S(=O)(=O)c1ccc(Cl)cc1 8395331 AZOXGEALLSQHRA-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB Cc1cc(NC(=O)CNc2ccccc2N2CCCCC2)no1 8721234 MWGDNFBQZGVIIR-UHFFFAOYSA-N 314.389 3.024 0 40 DGAB C[C@H](CNC(=O)C(=O)Nc1cccc(Cl)c1)c1ccccc1 9232438 ALXNZNCVVDWZRE-GFCCVEGCSA-N 316.788 3.198 0 40 DGAB O=C(Nc1ccccc1C(=O)NC1CC1)c1cc(F)ccc1F 9645111 RBMIQMWLMIGJGU-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)Nn1cnc2ccccc21 10402628 PFVMNAIGZPZGCL-UHFFFAOYSA-N 314.776 3.485 0 40 DGAB COc1ccc(OC[C@H]2[C@H]3CC[C@H](C3)N2C(=O)C(C)C)cc1 12219990 IINRNKLFRNRMKT-VBQJREDUSA-N 303.402 3.110 0 40 DGAB O=C(CNCc1ccccn1)Nc1ccccc1-c1ccccc1 12547100 HYMNGJLIENUONU-UHFFFAOYSA-N 317.392 3.477 0 40 DGAB CCNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 12760299 MFWFAUIKGFOQQT-UHFFFAOYSA-N 315.373 3.490 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N[C@@H](C)c1ccccc1 12986640 PMALXMLAXMSWJI-AWEZNQCLSA-N 321.380 3.372 0 40 DGAB Cc1ncc([C@@H](O)c2ccc(N(C)C)cc2)n1Cc1ccccc1 13281622 BZMRQEWXHXRKPM-FQEVSTJZSA-N 321.424 3.388 0 40 DGAB CCc1ccc(CCC(=O)NCCCN2CCC(C)CC2)cc1 13671099 OHBXLBNFUGFAHB-UHFFFAOYSA-N 316.489 3.420 0 40 DGAB CCN1CCC(NC(=O)[C@H](C)Oc2cc(C)ccc2Cl)CC1 13744974 WEDPMLGAWIVAQW-ZDUSSCGKSA-N 324.852 3.016 0 40 DGAB Cc1nc2c3ccccc3nc(SCC(=O)C(C)(C)C)n2n1 14113173 KABUOFLLPXKQQX-UHFFFAOYSA-N 314.414 3.293 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)N2CCCC2)c(Br)c1 14914551 BZBSCCHPDDNFHR-LLVKDONJSA-N 311.223 3.180 0 40 DGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccc2[nH]cnc2c1 16103838 MXZKBJQDUHFBES-UHFFFAOYSA-N 317.251 3.137 0 40 DGAB c1ccc(CN2CCO[C@H](c3nc(-c4ccccc4)no3)C2)cc1 19372255 SUGGAZNMFRPJMF-KRWDZBQOSA-N 321.380 3.310 0 40 DGAB Cc1ccc(OCc2ccc(C(N)=O)cc2)c2c1[C@H](C)CC2=O 22187298 PJESWULMIJUGOP-GFCCVEGCSA-N 309.365 3.363 0 40 DGAB O=C(Nc1ccccc1)c1cn2c3c(cccc3c1=O)CCC2 22235183 GBKLADDOXJAETR-UHFFFAOYSA-N 304.349 3.200 0 40 DGAB Cc1ccoc1C(=O)NCc1ccc(OCC(F)(F)F)cc1 22418209 LEFHXOZGQWPRJO-UHFFFAOYSA-N 313.275 3.459 0 40 DGAB Cc1ccc(NC(=O)[C@@H](c2ccccc2)N2CCO[C@H](C)C2)cc1 24014626 MXAWRYWCLSYROU-VQIMIIECSA-N 324.424 3.396 0 40 DGAB COc1ccc(NC(=O)c2ccc(-n3ccnc3)cc2)c(OC)c1 24049726 VCNNDAJHRIJPHF-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCOc1ccccc1NC(=O)c1ccc(Cn2cccn2)o1 27981358 YVZGWSHAZUFIIB-UHFFFAOYSA-N 311.341 3.175 0 40 DGAB CC(=O)c1c(C)cc(C)c(COc2ccccc2C(N)=O)c1C 28186616 OANJUZMQVNFSLJ-UHFFFAOYSA-N 311.381 3.492 0 40 DGAB COc1ccccc1CCC(=O)N1CCC[C@@H]1c1cc(C)on1 29236370 XOHLNCWOAXCQQM-MRXNPFEDSA-N 314.385 3.288 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccc(F)c(F)c2)cc1C 32754059 ZWEOFKBJILIQLT-UHFFFAOYSA-N 304.296 3.484 0 40 DGAB O=C(NCC1CCCCC1)[C@H]1CC(c2cccc(F)c2)=NO1 33146838 VSYXJKMLFLPHJV-MRXNPFEDSA-N 304.365 3.015 0 40 DGAB Cc1ccc(OCC(=O)N2CCOC23CCCCC3)cc1C 35671150 DAEJGMULZXSDEM-UHFFFAOYSA-N 303.402 3.201 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)CSc1cccs1 37420037 JTZHVPTXUKFTJH-UHFFFAOYSA-N 307.396 3.486 0 40 DGAB O=C(Cn1ccc2ccc(F)cc21)NC1Cc2ccccc2C1 40267888 LTIKOWVZSILBQX-UHFFFAOYSA-N 308.356 3.064 0 40 DGAB Cc1ccnc(NCC2CCN(C(=O)OC(C)(C)C)CC2)c1 40434844 FZOKXFGFBYXZRT-UHFFFAOYSA-N 305.422 3.449 0 40 DGAB CC(C)c1noc(CCCC(=O)Nc2ccc(F)c(F)c2)n1 40515674 XYHDPOWJTSWPPM-UHFFFAOYSA-N 309.316 3.433 0 40 DGAB O=C(NCc1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1 41124408 NKXQKXXZEDGBSQ-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C)cc1 42646696 QVXUSQFRHFBGDE-CJNGLKHVSA-N 302.418 3.443 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)N[C@H](C)c2ccc(C)o2)on1 43722616 IZCSGSAOZQXGCN-OLZOCXBDSA-N 303.362 3.492 0 40 DGAB Cc1cc(Br)oc1C(=O)Nc1nc2ccccc2[nH]1 44253152 ODLYJODZUVYKTK-UHFFFAOYSA-N 320.146 3.479 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C)c(C)c1 47454257 SUBKGJKRXKVOQA-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CCOC(=O)CN(C(=O)c1ccc(F)cc1)c1ccccc1F 48234269 SLJIWRQXVUVPCT-UHFFFAOYSA-N 319.307 3.175 0 40 DGAB O=C(CCc1cccs1)Nc1cccnc1N1CCCC1 48235716 CGWXJPWPUMQYQP-UHFFFAOYSA-N 301.415 3.315 0 40 DGAB CC(=O)c1ccc(C(=O)NCc2cccnc2OC(C)C)s1 48285837 CDJKFOUUPBALJZ-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CCCCCNC(=O)c1ccc(N2CCN(C(C)C)CC2)cc1 48355350 NSNQMYXQBNZOSY-UHFFFAOYSA-N 317.477 3.137 0 40 DGAB NC(=O)c1cccc(OC(=O)c2cc3c(s2)CCCCC3)c1 51829151 AJRQMBWBRJOYBC-UHFFFAOYSA-N 315.394 3.335 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)s1 52928570 XZFIERQNGNYXOB-QMMMGPOBSA-N 307.396 3.267 0 40 DGAB COc1ccc2oc(C)c(C(=O)N3CCO[C@@H]4CCC[C@@H]43)c2c1 53385814 YOJAESHTIVLJEF-GOEBONIOSA-N 315.369 3.143 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3CCO[C@H]4CCC[C@@H]43)cs2)o1 56197908 NUOPLGPIOQPSKI-STQMWFEESA-N 318.398 3.105 0 40 DGAB Cc1noc(C)c1CNC(=O)[C@@H](C)Oc1cccc(Cl)c1 60064117 LWCDRZDROJXKLF-LLVKDONJSA-N 308.765 3.029 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CC(=O)Nc2cccnc2)CC1 60141639 IUDWDGOBBUXZIE-UHFFFAOYSA-N 319.405 3.057 0 40 DGAB Cc1cc(NC(=O)CS[C@H](C)c2ccc(F)cc2)n(C)n1 62697213 DDYKRBQIVHFWIR-LLVKDONJSA-N 307.394 3.301 0 40 DGAB CN(Cc1ccccn1)C(=O)c1c[nH]c(=S)n1-c1ccccc1 65504517 FBQXMMVIELKDIN-UHFFFAOYSA-N 324.409 3.202 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCC[C@H](C)CC1 65534478 NYVRSECLAHQJPD-DZGCQCFKSA-N 312.413 3.150 0 40 DGAB C[C@@H]1c2cccn2CCN1C(=O)c1cccc(CN2CCCC2)c1 66410419 GXQROGXCHXVHJZ-MRXNPFEDSA-N 323.440 3.301 0 40 DGAB CC(C)N(C)CC(=O)N1CCC[C@H]1c1nc2ccccc2s1 67571749 YGENYCGJRDBUKN-AWEZNQCLSA-N 317.458 3.300 0 40 DGAB CCSCCC(=O)NCc1cccc(OCC(F)F)c1 69373192 YZXZYCSGBWGIFT-UHFFFAOYSA-N 303.374 3.090 0 40 DGAB Cc1cc(NC(=O)NCC(C)(C)N[C@@H](C)c2ccccc2)on1 69486078 ARTGJKHZNRKYCI-ZDUSSCGKSA-N 316.405 3.234 0 40 DGAB Cc1ccc([C@H]2C[C@H]2C(=O)NCc2cn3ccccc3n2)s1 69488188 XQYZHBGNQYOAFQ-UONOGXRCSA-N 311.410 3.124 0 40 DGAB Cc1nnc([C@H](C)N2CCC(COc3ccccc3)CC2)o1 69607453 QYHLZTASWSJAIQ-ZDUSSCGKSA-N 301.390 3.230 0 40 DGAB Cc1nc2ccccc2nc1CN1CCCC[C@H]1Cn1cccn1 69920239 GWWNMIGKNQWMCL-INIZCTEOSA-N 321.428 3.189 0 40 DGAB O=C(/C=C/c1cccs1)NC[C@](O)(c1ccccc1)C1CC1 70966131 OAWKCSOHRZVAOB-ZGKFYVQTSA-N 313.422 3.175 0 40 DGAB Cc1ccc(-c2snnc2C(=O)N2CCC[C@H](C)C2)cc1 71195330 FBKOVPXFTZWDEN-LBPRGKRZSA-N 301.415 3.386 0 40 DGAB Fc1cc(CN2CCC[C@@H]2Cn2cccn2)c2ncccc2c1 71875655 QIVUCWGKSHKMFA-QGZVFWFLSA-N 310.376 3.235 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)OC(=O)c2c[nH]c(C(C)C)n2)c1 71921383 ZSJQCQYUTHZFEN-GFCCVEGCSA-N 315.373 3.026 0 40 DGAB O=C(c1ccc(-c2ccc(=O)[nH]c2)s1)N1CCCCCC1 72260066 QYSQFDXOAYEECW-UHFFFAOYSA-N 302.399 3.120 0 40 DGAB Cc1ccc(-n2ncc(C(=O)O)c2-n2cccc2)cc1Cl 72265073 YYTHGBPRCKIKGC-UHFFFAOYSA-N 301.733 3.323 0 40 DGAB CC[C@@H](C)C(=O)NC[C@H](NC(=O)OC(C)(C)C)c1ccccc1 72297672 NJSRNBJAQMAVNV-HIFRSBDPSA-N 320.433 3.415 0 40 DGAB CSc1ccccc1C(=O)NC[C@@H](O)c1sccc1C 75155222 LWCBXIMVPYILPY-GFCCVEGCSA-N 307.440 3.242 0 40 DGAB O=C(Nc1ccccc1)c1cccc(COc2cccc[n+]2[O-])c1 77330923 IEWOWRHFTNOVER-UHFFFAOYSA-N 320.348 3.151 0 40 DGAB Cc1ccc(NC(=O)C(=O)N(C)Cc2cccs2)cc1Cl 80253199 MNBYSOHYHJKQGA-UHFFFAOYSA-N 322.817 3.307 0 40 DGAB COc1cc(C(=O)N2CCC[C@H](c3cc(C)[nH]n3)C2)ccc1C 84187953 ZQVBEKWMZHUFEK-HNNXBMFYSA-N 313.401 3.055 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)[C@@H]3C[C@H]3c3ccco3)c2)cn1 89756564 UVTQIRFANJNXRA-HZPDHXFCSA-N 322.368 3.499 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C1CCN(Cc2ccncc2)CC1 95401520 ZVTSKOIBVJVBLL-CQSZACIVSA-N 319.449 3.207 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1 95411178 RVZNKDCMPCBSKQ-CHWSQXEVSA-N 311.451 3.107 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1csc(CC(C)C)n1 95956794 OGJXROFNCXTEHE-UHFFFAOYSA-N 307.419 3.219 0 40 DGAB CCOC[C@@H]1COCCC12CCN(Cc1ccsc1)CC2 96106386 RVVUWPGITWPXHT-MRXNPFEDSA-N 309.475 3.403 0 40 DGAB Cc1ccc(CN2CCO[C@@]3(CCC[C@@H]3COC(C)C)C2)o1 96160064 NXQDDGLAROASRG-AEFFLSMTSA-N 307.434 3.384 0 40 DGAB c1cn2c(n1)CN(Cc1ccsc1)C[C@H](COCC1CC1)C2 96187881 OWYHGNNXTNZTAG-INIZCTEOSA-N 317.458 3.003 0 40 DGAB CO[C@@H]1CCN(Cc2c(C)noc2C)[C@H]1Cc1ccccc1 96200056 HHVKDQIUHULYPR-ZWKOTPCHSA-N 300.402 3.123 0 40 DGAB COc1ccc(NC(=O)c2nc(Cl)sc2C)c(OC)c1 96223455 DSDAPEYBFMYVOZ-UHFFFAOYSA-N 312.778 3.374 0 40 DGAB Cc1cccc(NC2CCN(C(=O)Cc3ccccc3O)CC2)c1 96421772 GYTNXRUNOQLSQU-UHFFFAOYSA-N 324.424 3.346 0 40 DGAB COC[C@H]1CCCN(C(=O)C[C@H](C)c2cccc(OC)c2)C1 96460753 DAKGNGHXKLEDRP-GJZGRUSLSA-N 305.418 3.074 0 40 DGAB O=C(N[C@@H](CC(F)(F)F)c1ccc(Cl)cc1)[C@H]1CCOC1 96486554 JNKSMMFNVVINLH-JQWIXIFHSA-N 321.726 3.486 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2ccc3cc[nH]c3c2)C2CC2)n1 96487324 JTWZDDABDKGFPE-MRXNPFEDSA-N 306.369 3.147 0 40 DGAB Cc1nnc([C@H](C)N[C@@H](C)c2ccc(-n3ccnc3C)cc2)o1 97081924 RBYQKXBFUZPKOS-RYUDHWBXSA-N 311.389 3.284 0 40 DGAB Cc1ccc(CN[C@@H](CO)c2ccco2)c(Br)c1 97229633 WLHMANBXJLGAKI-ZDUSSCGKSA-N 310.191 3.174 0 40 DGAB Cc1cc(C)nc(N2CCC[C@H]2CC(=O)c2cccs2)n1 97233400 MVLZHXUFAAISPW-ZDUSSCGKSA-N 301.415 3.397 0 40 DGAB COc1ccc(C)nc1NC(=O)NCc1nc(C2CC2)cs1 97378614 LIVXWSOXMLZOQO-UHFFFAOYSA-N 318.402 3.054 0 40 DGAB O=C(NC1CCCCC1)[C@H](Sc1cnn[nH]1)c1ccccc1 98086758 YITJFOAVCGSIOR-OAHLLOKOSA-N 316.430 3.087 0 40 DGAB Cc1cccc(NC(=O)[C@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2[C@H]2C[C@H]32)c1C 101749701 VAKLKLKPGNNVLR-ZIQGKUQCSA-N 311.381 3.011 0 40 DGAB Cc1csc(SCC(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)n1 102089061 RHAXHHTZOWWQJW-UMSGYPCISA-N 310.488 3.485 0 40 DGAB Cc1cc(N)nc(SCCC(=O)Nc2cccc(Cl)c2)n1 106008831 MNXUTDLJJIGLGC-UHFFFAOYSA-N 322.821 3.142 0 40 DGAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1ccncc1F 191315699 SPRYJBWOKWRHAV-UHFFFAOYSA-N 316.376 3.288 0 40 DGAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@@H]2CCOC2)s1 192082925 SPFLRKQXIKBVEF-CQSZACIVSA-N 302.399 3.196 0 40 DGAB CCSc1nnc(NC(=O)Cc2cccc(Cl)c2)s1 224082136 CXFJUYQRZOLUTD-UHFFFAOYSA-N 313.835 3.485 0 40 DGAB Cc1ccc(NC(=S)NC(C)(C)C)cc1N1CCCC1=O 225275326 DVQCRNPQVFPQHT-UHFFFAOYSA-N 305.447 3.207 0 40 DGAB Cc1cc(C)c(NC(=O)c2ccc(Br)o2)c(N)c1 226347725 AZYFQVNWTHBHCJ-UHFFFAOYSA-N 309.163 3.493 0 40 DGAB Cc1ccc(O[C@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nc1 238812859 ASOWLVSJQHFBRU-INIZCTEOSA-N 321.380 3.165 0 40 DGAB CCOCC[C@H]1CCOC12CCN(C(=O)c1occc1C)CC2 253478698 MOVHYKTXAVPCRH-HNNXBMFYSA-N 321.417 3.026 0 40 DGAB c1cc2n(c1)C[C@@H](OCc1ccncc1)CN(CC1CCC1)C2 253588395 BBAVJVKNQBTLGJ-IBGZPJMESA-N 311.429 3.084 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257238384 HKSYVVSZZVPWLK-CQSZACIVSA-N 301.415 3.091 0 40 DGAB Cc1ccc2c(CC(=O)N3CCC[C@H](c4ccn[nH]4)C3)coc2c1 257241760 HZMQVCBLBHVKSZ-AWEZNQCLSA-N 323.396 3.413 0 40 DGAB Cc1ccnc([C@@H]2CCN(c3ccc(C(F)(F)F)cn3)C2)n1 257298411 RLMODHWXTIGAMB-LLVKDONJSA-N 308.307 3.193 0 40 DGAB CC(C)[C@@H]1OCCC[C@H]1CNC(=O)Nc1ccn(C(C)C)n1 280647048 BTKAQDVWCKMZGA-ZFWWWQNUSA-N 308.426 3.037 0 40 DGAB COCCCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 409231067 IAHMGBWYUGVOPH-VQHVLOKHSA-N 317.819 3.474 0 40 DGAB C[C@H](CC(=O)NC(C)(C)c1ncc[nH]1)Cc1cccc(F)c1 517035393 HVJYNJGUVRQKPD-LBPRGKRZSA-N 303.381 3.169 0 40 DGAB O=C(c1ccnc(Oc2ccccc2)c1)N1CCOC[C@@H]1C1CC1 535577870 YSWQIKKLBGTUCW-QGZVFWFLSA-N 324.380 3.125 0 40 DGAB CC(=O)OCC(=O)c1cc(C(F)(F)F)ccc1C(F)(F)F 575361301 XCNBIDMJTRWNGA-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB CO[C@H]1CN(Cc2cscn2)CC[C@@H]1Cc1cccc(F)c1 643913831 IVWBQASOAWFHPM-PBHICJAKSA-N 320.433 3.362 0 40 DGAB CC(C)N(C(=O)C[C@@H]1CCOc2ccccc21)C1CCOCC1 78182738 HTYFEHNIUCKLAK-HNNXBMFYSA-N 317.429 3.359 0 40 DGAB Cc1nc(C)c(CN2C[C@@H](C)C(=O)Nc3ccccc32)s1 78954056 URCCBMZMXWSKOP-SNVBAGLBSA-N 301.415 3.355 0 40 DGAB Cc1csc(CNc2ccccc2CN2CCC(O)CC2)n1 78989882 XKCPEVFFJQQMCC-UHFFFAOYSA-N 317.458 3.020 0 40 DGAB O=S(=O)(NCCCC1CCCCC1)N1CCCCCC1 84544070 LWZKCSQRWIUXML-UHFFFAOYSA-N 302.484 3.057 0 40 DGAB CCc1n[nH]c(SCC(=O)Nc2ccc3ccccc3c2)n1 7605008 CWCNXEJCWPMZDI-UHFFFAOYSA-N 312.398 3.251 0 40 DGAB Cc1ccc(CN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)cc1 7974636 VVZBQDWIAOCXDQ-HXUWFJFHSA-N 322.408 3.438 0 40 DGAB Cc1nc(=O)c(-c2ccccc2)c(C)n1CCc1ccc(O)cc1 8990137 JNFWBKGSQARRLY-UHFFFAOYSA-N 320.392 3.475 0 40 DGAB COc1cc(C)ccc1S(=O)(=O)Nc1cc(C)cc(C)c1 54363329 HMOLYDBDEOPKAK-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2[nH]c3ccccc3c2Cl)cnn1C 56882622 PCWDJKPCPFXKMC-SECBINFHSA-N 316.792 3.354 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H]3[C@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 102985987 RWMYBCJSDRVINF-CWLKWCNXSA-N 323.392 3.343 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2cc(C)nc3ccccc23)c1 10031937 OTOSEJJIUDLZLZ-UHFFFAOYSA-N 319.364 3.155 0 40 DGAB CN(Cc1c(F)cccc1Cl)C(=O)c1ccc2c(c1)OCO2 21197548 UTWQTGDORCVYES-UHFFFAOYSA-N 321.735 3.480 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)o1 12798823 JVHCEKNOOQTXEF-KGLIPLIRSA-N 318.392 3.425 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(CN3CCCCC3)cc2)n1 26310461 HOBMMTZLSXUWLH-UHFFFAOYSA-N 323.440 3.306 0 40 DGAB O=C(Cn1ccc2ccc(OCc3ccccc3)cc21)NC1CC1 36366417 LGFMBEBVPWSAJT-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB O=C1COc2cc(NC(=O)c3ccccc3F)c(Cl)cc2N1 36752377 GEQGCHMRBUQVIM-UHFFFAOYSA-N 320.707 3.062 0 40 DGAB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(C)cc3)c2)c1 12906618 WMCDPJROISIEEM-UHFFFAOYSA-N 308.337 3.126 0 40 DGAB CC(C)OC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 4056207 SBFCXYBUWCLEFC-NSHDSACASA-N 316.353 3.001 0 40 DGAB COC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccccc1OC 4061395 JMXOIDJMADPXNT-ZVZYQTTQSA-N 319.401 3.130 0 40 DGAB biogenic C[C@@H]1CC[C@@H](CCC(=O)N(C)C[C@@H]2OCCc3ccccc32)O1 110635953 OJWQLUGFFODLKU-HFTRVMKXSA-N 317.429 3.107 0 40 DGAB Cc1cccc2nc(COc3ccc(F)cc3Cl)cc(=O)n12 39995733 BGCILVYXIQGVJJ-UHFFFAOYSA-N 318.735 3.374 0 40 DGAB Cc1nc([C@H]2CCCN2Cc2cc(Cl)c3c(c2)OCO3)no1 84281024 WYGUDKDZVVRNFO-GFCCVEGCSA-N 321.764 3.097 0 40 DGAB Cc1nnc(NC(=O)CN(C)c2ccc(C(C)(C)C)cc2)s1 84291790 DKLJHTFXVSGUAL-UHFFFAOYSA-N 318.446 3.219 0 40 DGAB CC(C)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)O)cc1 5234956 LEPVVVNGFNERGV-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nc(-c3ccccc3)n[nH]2)C1(C)C 65475517 HSBDKNVVZRHBIM-ZBFHGGJFSA-N 324.428 3.326 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cccnc1N1CCCC1 14019156 OYHZTFGUZHHIHT-UHFFFAOYSA-N 311.385 3.251 0 40 DGAB COc1ccc(N)cc1NC(=O)c1cccc(OC(C)C)c1 19736741 HQLGQNSJBZDTMC-UHFFFAOYSA-N 300.358 3.317 0 40 DGAB O=C(Cn1cnc2c(Cl)cc(Cl)cc2c1=O)c1ccco1 14254144 DRMZBBJAUMKQLU-UHFFFAOYSA-N 323.135 3.179 0 40 DGAB CCOC(=O)CCC(=O)Nc1nc2ccc(Cl)cc2s1 14241088 DUUQSZDEMIGXJP-UHFFFAOYSA-N 312.778 3.232 0 40 DGAB CCC(=O)c1ccc(OC(=O)c2cccc(NC(C)=O)c2)cc1 9365266 CXICKJPXOBHEKM-UHFFFAOYSA-N 311.337 3.457 0 40 DGAB Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)on1 66671953 GJBNZQMQNIWQSB-UHFFFAOYSA-N 304.394 3.484 0 40 DGAB CN(C)CCCN1C(=S)c2cccc3cccc(c23)C1=S 26897391 URHREJMUPDBWID-UHFFFAOYSA-N 314.479 3.458 0 40 DGAB O=C(CSc1ccc(C(F)(F)F)cn1)NCc1ccco1 9469514 LPYDDLVAVNFXIV-UHFFFAOYSA-N 316.304 3.102 0 40 DGAB O=C1C[C@@H](C(=O)N2CCCc3ccccc32)CN1c1ccccc1 4975486 CMCWWLWGRWZWIS-MRXNPFEDSA-N 320.392 3.019 0 40 DGAB Cc1cc(Sc2nnc(NCc3ccco3)s2)nnc1C 97163747 QVYQHQJLTJOYBJ-UHFFFAOYSA-N 319.415 3.301 0 40 DGAB CN(CCOc1ccccc1)C(=O)c1cnn(-c2ccccc2)c1 9479013 XIBZIPZRTUFOKC-UHFFFAOYSA-N 321.380 3.023 0 40 DGAB COc1ccc(-c2c(C)nn3c4c(cnc23)C(=O)CCC4)cc1 9418884 WIDYKKQEZOISRT-UHFFFAOYSA-N 307.353 3.232 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccc(F)cc3)cc2c1 9478412 HDPYBFDHFBGDAU-UHFFFAOYSA-N 324.355 3.248 0 40 DGAB C[C@@H]1CCc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCO2 7619139 RMOFOLRIQKGYQM-CYBMUJFWSA-N 324.380 3.195 0 40 DGAB CN(Cc1nc(-c2ccccc2)no1)C(=O)/C=C/c1ccccc1 7759132 JGWZIWXEPXZDNZ-OUKQBFOZSA-N 319.364 3.408 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2cccs2)cc1 8232725 LSRSNAYXFFQAFG-LLVKDONJSA-N 302.399 3.126 0 40 DGAB NC(=O)c1ccccc1OCCCOc1ccc(Cl)cc1 8286411 BEDJRGQRPFHLSE-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CCN(C(=O)c1cccnc1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69460514 KYFVMMLIPLEDTF-LPHOPBHVSA-N 323.440 3.379 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)[C@@H](C)OCC2CC2)CC1 69416632 FANWYJFWALBUMK-OAHLLOKOSA-N 316.445 3.213 0 40 DGAB CCOc1c(OC)cc(CNCc2cccc(O)c2)cc1OC 71850035 ZCDPPLZVTOHSJH-UHFFFAOYSA-N 317.385 3.098 0 40 DGAB COc1ccc(NC(=O)C[C@H](C)n2nc(C)c(C)c2C)cc1 8714555 DFPLDPZFDFEZQE-NSHDSACASA-N 301.390 3.407 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)[C@@H]2CCCOC2)c2ccccn2)cc1 71908751 RBLSBHOPVXBJDN-IEBWSBKVSA-N 324.424 3.217 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)sc1C 72297498 WZYJZGRMMHXDNW-CABCVRRESA-N 322.474 3.425 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2nc(C)c(C)o2)C1 95411177 RVZNKDCMPCBSKQ-STQMWFEESA-N 311.451 3.107 0 40 DGAB Cc1cnc(COC(=O)c2ccccc2NCc2cccnc2)o1 95989277 CGFAQNPYIULTKQ-UHFFFAOYSA-N 323.352 3.347 0 40 DGAB Cc1cc(CNC(=O)N(C)CCc2ccncc2)ccc1Cl 95939522 XCVHEXHSMDFMFR-UHFFFAOYSA-N 317.820 3.428 0 40 DGAB Cc1cnc([C@@H](NC(=O)[C@H](C)N2CCCCCC2)C2CC2)s1 89702369 IKSKXXFNHVIDTF-ZFWWWQNUSA-N 321.490 3.283 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)NCc1ccc(CC)cc1 408707967 UAXWWZMAYBHATD-MRXNPFEDSA-N 318.461 3.198 0 40 DGAB Cc1ccccc1OCC(=O)n1c(C)c(CO)c2ccccc21 216720607 DCNQKPBIFPJGBO-UHFFFAOYSA-N 309.365 3.470 0 40 DGAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1F 32586612 HEWLFTBVCFYNCL-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB CCN(CC)CCn1c(S)nnc1-c1ccc(Cl)cc1 33785335 FMQNBVFRSGLEEX-UHFFFAOYSA-N 310.854 3.229 0 40 DGAB FC(F)(F)CN1CC[C@@H](Nc2cncc(-c3ccccc3)n2)C1 537410035 DLWIZXMFVVPJSR-CYBMUJFWSA-N 322.334 3.192 0 40 DGAB COc1ccc(N[C@H](C)C(=O)NCCc2cccs2)cc1F 79029608 GNXJNPNLSKVXPY-LLVKDONJSA-N 322.405 3.055 0 40 DGAB Cn1cnc(-c2cc(Br)ccc2OC(F)(F)F)n1 2362801846 VGKIUMIQHVWIJP-UHFFFAOYSA-N 322.084 3.143 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(C)C)cnc1N1CCOCC1 72219343 IUAHONFVGHPSKC-KRWDZBQOSA-N 303.450 3.020 0 40 DGAB CCc1cc(-n2cnnc2)cc(C)c1NC(=O)Cc1ccccc1 72228941 HMZCRGPTAPJKQY-UHFFFAOYSA-N 320.396 3.319 0 40 DGAB CC(C)(C)OC(=O)N(c1ncccc1[C@@H]1CCCN1)C1CC1 72215364 RFPWTBACUUBBNG-AWEZNQCLSA-N 303.406 3.410 0 40 DGAB C[C@H](CN1CCN(C2CCOCC2)CC1)c1cccc(Cl)c1 187352303 UEJPCSIBTXKEOM-OAHLLOKOSA-N 322.880 3.240 0 40 DGAB O=C(CCc1ccncc1)Nc1cccc(Oc2cccnn2)c1 81740143 ZGRBEEWHJIFCRU-UHFFFAOYSA-N 320.352 3.235 0 40 DGAB COC(=O)CCc1csc(N[C@H]2CCOc3ccccc32)n1 225556480 AXXWVORDQWJMGC-ZDUSSCGKSA-N 318.398 3.184 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)NCc2ccc(F)cc2)cc1 44932119 XUPHEQWIRJYVDN-UHFFFAOYSA-N 323.371 3.309 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CCCC[C@@H]2CO)c1 81612929 VEVKTKBOYYZOFX-XNRPHZJLSA-N 306.406 3.067 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)n1C 222867025 LTUKRWJUVLSLCC-JKSUJKDBSA-N 314.458 3.111 0 40 DGAB COCCn1c(CCCCC(=O)O)nc2cccc(Cl)c21 95095648 UUJOBFMVUJQLKI-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB Cc1noc(C)c1C(=O)N1CCCN(C)c2ccc(Cl)cc21 96425531 FVIZVUHTEUUCRV-UHFFFAOYSA-N 319.792 3.432 0 40 DGAB O=C(c1ccsc1)N1CC[C@@H](COCc2ccccc2)C1 96426037 ZSGPMQXTCMAUBO-OAHLLOKOSA-N 301.411 3.427 0 40 DGAB COc1cc(C)c(S(=O)(=O)N(C)Cc2ccccc2)cc1C 96658889 QOMQDMHRGKDHKD-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB CCc1cc(C(=O)N(CC)[C@H](C)c2ccc(F)cc2)cc(=O)[nH]1 96496448 ILCHALYOJUSESU-GFCCVEGCSA-N 316.376 3.300 0 40 DGAB CC(=O)c1csc(NC(=O)c2cccc3c2OCC3(C)C)n1 331558094 ZPUVVHOQVKULKM-UHFFFAOYSA-N 316.382 3.268 0 40 DGAB CC[C@@H](NC(C)=O)c1ncnn1-c1ccc(C(C)(C)C)cc1 91663674 MDMUSUZDCDUQTQ-OAHLLOKOSA-N 300.406 3.152 0 40 DGAB CSCCCCNC(=O)N1CCO[C@@](C)(c2ccccc2)C1 96469948 WBVJYHNAUUQMLD-QGZVFWFLSA-N 322.474 3.087 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)N[C@H](C)c2cccnc2)c1 96408373 FGYNBSCDFRRSNT-OAHLLOKOSA-N 309.413 3.481 0 40 DGAB CN(CCc1ccccc1)Cc1cnc([C@H]2CCCCO2)nc1 257202871 ANUDPRQVBVIJBQ-GOSISDBHSA-N 311.429 3.393 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2ccc3ccccc3n2)n1 257233082 GNRHZOJGJDAFTN-INIZCTEOSA-N 306.369 3.244 0 40 DGAB Cc1ccc([C@@H]2CN(Cc3cccc4[nH]ccc34)CCO2)nc1 257284019 PAXXSEZSCONSRN-IBGZPJMESA-N 307.397 3.445 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)CCCc2ccccc2)c(C)o1 85561343 YWHCQSDYEZIJRK-GOSISDBHSA-N 315.413 3.459 0 40 DGAB CSCCCN(C)C(=O)NC[C@H]1CCN(C)c2ccccc21 252485259 GPSRZQLEZMAXHM-CQSZACIVSA-N 321.490 3.005 0 40 DGAB Cn1nccc1C1CCN(Cc2ncc(-c3ccccc3)o2)CC1 58290010 WOPSFDSPGUZSLZ-UHFFFAOYSA-N 322.412 3.455 0 40 DGAB CCC(CC)NC(=O)CNc1cc(NC(=O)C(C)C)ccc1C 55844732 ALXJFLKDMMXIED-UHFFFAOYSA-N 319.449 3.306 0 40 DGAB CC(C)=C(C)C(=O)Nc1ccc(S(=O)(=O)N(C)C(C)C)cc1 75106273 WLSDMYYEMZKTCP-UHFFFAOYSA-N 324.446 3.010 0 40 DGAB CCOc1cc(-c2nnc(S)o2)cc(OCC)c1OCC 5753745 JIJZORVXNFXVIL-UHFFFAOYSA-N 310.375 3.221 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)NCCC2=CCCCC2)c(C)o1 5992251 RDCJVDWRBYMHFO-CQSZACIVSA-N 319.401 3.448 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2nc3ccccc3[nH]2)[nH]n1 12144783 GKOMWELJZZIYQD-INIZCTEOSA-N 323.400 3.387 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 17054744 YSPLWIOKNGFKMH-GHMZBOCLSA-N 314.223 3.377 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](N)c1ccccc1C(F)(F)F 19796174 FDHWWVABOPXSGH-LLVKDONJSA-N 304.312 3.230 0 40 DGAB O=C(CN1CCc2sccc2C1)Nc1cccc(Cl)c1 10341061 XXTPOFNSSMQDAL-UHFFFAOYSA-N 306.818 3.398 0 40 DGAB O=C(OCc1nc2ccccc2[nH]1)c1cc(F)c(F)c(F)c1F 1424164 AIUYATPXXDRZFA-UHFFFAOYSA-N 324.233 3.476 0 40 DGAB Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)on1 13596663 QDYWOBIQVJXHFJ-UHFFFAOYSA-N 306.321 3.466 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)C1CC1)CC2)c1cccc(F)c1 13695895 VSDJTAWFDBPDSI-UHFFFAOYSA-N 324.355 3.377 0 40 DGAB O=C(Cc1ccc(Cl)cc1Cl)NC1(C(=O)O)CCCC1 36969405 HYOXFXYZOAGOHS-UHFFFAOYSA-N 316.184 3.050 0 40 DGAB O=C(NCc1ccc(OC(F)(F)F)cc1)Nc1nccs1 40050642 BOFPFMUFXLYFBP-UHFFFAOYSA-N 317.292 3.363 0 40 DGAB C[C@@H](NC(=O)CCCc1nc(-c2cccs2)no1)C1CC1 40523514 JRWWBLUTLZGPFK-SNVBAGLBSA-N 305.403 3.036 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2ccc(Cl)cn2)c1 20722256 BXNBJDIOXIGLNI-UHFFFAOYSA-N 315.760 3.337 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)cn1 32776672 JZIVFCVEYBESPS-QGZVFWFLSA-N 312.369 3.200 0 40 DGAB O=C(Nc1ccccc1Br)c1ccc2c(c1)OCO2 568336 FSMOKACDGRMDBH-UHFFFAOYSA-N 320.142 3.430 0 40 DGAB CCn1c(SCc2cccc(C)c2)nnc1-c1cnccn1 532805 UNHGCUPCZQRRNN-UHFFFAOYSA-N 311.414 3.356 0 40 DGAB CC1(C)CC(=O)C2=C(C1)O[C@H](c1ccc(F)cc1)C(C#N)=C2N 177350 GDNRDEFTAKCCPE-QGZVFWFLSA-N 312.344 3.277 0 40 DGAB CC(C)COc1ccc(S(=O)(=O)NCc2ccccc2)cc1 346311 CHCCNTWZBRFKKT-UHFFFAOYSA-N 319.426 3.200 0 40 DGAB O=C1N[C@H](c2ccc(OC3CSC3)cc2)Nc2ccccc21 347297 GTIRMXGBNAUKIT-MRXNPFEDSA-N 312.394 3.035 0 40 DGAB CNc1sc(C(=O)c2ccc(OC)cc2)c(C)c1C(=O)OC 386796 OGEPTSFOHVRUKH-UHFFFAOYSA-N 319.382 3.124 0 40 DGAB CCCN1CCN(S(=O)(=O)c2ccccc2)c2ccccc21 1696115 YCAMHAPQLVJKMM-UHFFFAOYSA-N 316.426 3.112 0 40 DGAB CCc1ccc(NC(=O)CSc2nc3ncccc3[nH]2)cc1 2216595 OSDLJTPGLJFULH-UHFFFAOYSA-N 312.398 3.251 0 40 DGAB O=c1c2ccccc2nnn1COc1cccc(Cl)c1Cl 2625301 SGJFWVVMADRWME-UHFFFAOYSA-N 322.151 3.135 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)cc1C 3263711 LVSPFYCREDNVHJ-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1ccc(C(=O)OCC(=O)NC2CCCCCCC2)cc1 3392439 QIWYOFHYRLLQJJ-UHFFFAOYSA-N 319.401 3.081 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)COC(=O)c1ccco1 3514512 WDGNWVJFTQAWHT-UHFFFAOYSA-N 301.342 3.373 0 40 DGAB O=C(CSc1nnc2ccccn12)c1ccc(Cl)s1 3531883 IWZWOQPLTLNKCG-UHFFFAOYSA-N 309.803 3.419 0 40 DGAB COCCCN(C(C)=O)c1nc(-c2ccc(OC)cc2)cs1 4169373 AALQZTJWQWHSPB-UHFFFAOYSA-N 320.414 3.208 0 40 DGAB CCOC(=O)c1c(C)nc(O)nc1SCc1ccc(F)cc1 4317554 VLTKSKXQPIWUPF-UHFFFAOYSA-N 322.361 3.099 0 40 DGAB Cc1nnc2sc(COc3ccc(C(C)(C)C)cc3)nn12 4487499 KEOAFYVOTWGQLC-UHFFFAOYSA-N 302.403 3.371 0 40 DGAB COc1cccc(N2C(=O)C[C@@H](Nc3cc(C)ccc3C)C2=O)c1 7212527 BKMDOXFTSVHXII-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB CCc1ccc(NC(=O)C[C@@H](NC(C)=O)c2ccccc2)cc1 8080687 WCBIGRNUNDTYER-GOSISDBHSA-N 310.397 3.455 0 40 DGAB S=C(NCc1cccnc1)Nc1cccc(Br)c1 8104321 ODFFQWWDXNVABZ-UHFFFAOYSA-N 322.231 3.331 0 40 DGAB CN(C)CCCNCc1ccccc1OCc1ccc(F)cc1 8373911 ZJFNKSPFZVPAGH-UHFFFAOYSA-N 316.420 3.446 0 40 DGAB c1ccc(Oc2ccc(Oc3ccc4nnnn4n3)cc2)cc1 8734275 VJVUNLSYYMVQEN-UHFFFAOYSA-N 305.297 3.104 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nc2ccc(F)cc2s1 8776506 VHICYDPCRCNFKD-UHFFFAOYSA-N 305.334 3.221 0 40 DGAB CC(=O)Nc1ccccc1OCc1nc(-c2cccs2)no1 9477608 MEJHQBAYIYSRFK-UHFFFAOYSA-N 315.354 3.336 0 40 DGAB CN(Cc1ccc(Cl)cc1)Cn1ncc2ccccc2c1=O 9724938 WENOOHHICCOWSD-UHFFFAOYSA-N 313.788 3.139 0 40 DGAB C[C@H](Nc1nc2ccccc2s1)C(=O)NCc1ccccc1 9908798 KAYNTGGULWREQL-LBPRGKRZSA-N 311.410 3.413 0 40 DGAB CN(C)c1ncnc2c1cnn2-c1ccc(Cl)c(Cl)c1 10386605 QRMLWRIUNBFPKH-UHFFFAOYSA-N 308.172 3.188 0 40 DGAB O=C1C[C@@H](C(=O)Nc2cccc(Cl)c2)c2ccccc2N1 10641866 BIQDFSFUQMTWNT-CYBMUJFWSA-N 300.745 3.405 0 40 DGAB CCOc1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 11636411 WERXTGZPUDNTMY-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB O=C(CSc1nccn1C1CC1)Nc1ccc(F)c(F)c1 11891298 RGWQUAJZMGJWST-UHFFFAOYSA-N 309.341 3.227 0 40 DGAB Cn1ncc2c(NCCNc3cccc4ccccc34)ncnc21 12486315 ZVBZHUPEAMEUGK-UHFFFAOYSA-N 318.384 3.041 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3ccc(Cl)s3)cc2NC1=O 12975260 GXFOIRFPTZBQBB-SSDOTTSWSA-N 322.773 3.373 0 40 DGAB Cc1cccc(-c2noc(CCCC(=O)NCC(C)C)n2)c1 13483853 PYSFVSDCAGYFQQ-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB CCCCn1nc(C)c2c(C(F)(F)C(F)(F)F)cc(=O)[nH]c21 13961200 IAENOLWDUSOWMV-UHFFFAOYSA-N 323.265 3.487 0 40 DGAB COc1ccc(NC(=O)c2cnccn2)cc1Cc1ccccc1 14018299 IJQFTFHEYFSJND-UHFFFAOYSA-N 319.364 3.328 0 40 DGAB C[C@@H]1CCCN(Cc2csc(NC(=O)c3ccncc3)n2)C1 14167534 GPLYXBQXVYAMKH-GFCCVEGCSA-N 316.430 3.022 0 40 DGAB Cc1csc(NC(=O)CSc2cc(F)ccc2F)n1 14185500 YKHCGECYAJLPNL-UHFFFAOYSA-N 300.355 3.461 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NCCSC(C)(C)C)cc1 14401790 QZCXYHJKSMVDOI-LBPRGKRZSA-N 311.447 3.110 0 40 DGAB Cc1ccc(CNc2nccn(-c3ccc(C)cc3)c2=O)cc1 15732386 JXNCUONWSPNNAP-UHFFFAOYSA-N 305.381 3.461 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3cn[nH]c3c2)c(C)c1 16130626 QLMBFNGBYOBBBJ-UHFFFAOYSA-N 315.398 3.289 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1ccccc1Cl 19736209 YHNCJDKABVPKDU-JTQLQIEISA-N 320.776 3.337 0 40 DGAB Cc1cc(C)cc(-n2nnnc2SCC(=O)c2ccccc2)c1 21507257 XGSKCWWTOAWOFS-UHFFFAOYSA-N 324.409 3.254 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)c1ccc2c(c1)CCCC2 22368813 YPSHFAOMHGPDSF-UHFFFAOYSA-N 319.408 3.414 0 40 DGAB COc1cc2c(cc1OC)[C@H](COc1ccc(F)cc1)NCC2 22405262 OWLXVRYRDSZRJB-INIZCTEOSA-N 317.360 3.109 0 40 DGAB CN(C)CCN(Cc1ccncc1)Cc1ccccc1Cl 22913775 TUGLOUVMCPSYFU-UHFFFAOYSA-N 303.837 3.299 0 40 DGAB Cc1cccc(-n2nnnc2SCC(=O)c2ccccc2)c1C 23265871 WAVYHUSYQIKEAT-UHFFFAOYSA-N 324.409 3.254 0 40 DGAB C[C@H]1CCC[C@H](C)C12NC(=O)N(C/C=C/c1ccccc1)C2=O 24379900 AUPXEQZBHGDDRD-FVLQDRJJSA-N 312.413 3.447 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)C1(c2cccc(F)c2)CCCC1 24481844 KSVUEKSONUVJDI-UHFFFAOYSA-N 315.392 3.030 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N(Cc2ccccc2F)C2CC2)c1 24716442 HADNYLYQOXIHLZ-UHFFFAOYSA-N 300.333 3.161 0 40 DGAB C[C@]12CC[C@@]3(O)[C@@H](CC[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 25542112 UXZGHAVOAACUIL-FQRJZAEESA-N 306.446 3.074 0 40 DGAB CCOc1ccc(C(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 29329656 XPPFHWYDBMIJSZ-UHFFFAOYSA-N 309.369 3.234 0 40 DGAB C[C@H](CCc1ccc(O)cc1)NC(=O)NCc1ccc(F)cc1 31030290 BIDUAQRKOGIKOO-CYBMUJFWSA-N 316.376 3.352 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1C[C@@H](C)C[C@H](C)C1 32648366 CXCIIOFKOZCDSR-JBLDHEPKSA-N 317.355 3.276 0 40 DGAB CCCCCC[C@@H](C)NC(=O)CSc1nnc2ccccn12 32745195 XDTWQNMJITYBBB-CYBMUJFWSA-N 320.462 3.297 0 40 DGAB O=C(Nc1ccccc1O)c1c[nH]c(=S)n1-c1ccccc1 32843649 BCBXUCHKUQIEFM-UHFFFAOYSA-N 311.366 3.493 0 40 DGAB COc1cccc(CNC(=O)c2cc(-c3ccccc3)no2)c1 32913610 VTTDYEAHOLUQRF-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CSc1ncccc1C(=O)NCCO[C@H]1CCCC[C@H]1C 32931285 MQWYYQXHKVJIRA-OCCSQVGLSA-N 308.447 3.129 0 40 DGAB CCOc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O 36635342 MACYRRSGRWHFGT-MRXNPFEDSA-N 324.380 3.138 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832338 FMMQXCVWFQZAGL-AWEZNQCLSA-N 308.853 3.467 0 40 DGAB O=C(CN1CCC[C@@H]1Cc1ccccc1)NCCc1ccccc1 40040774 ALCYETYYRQTRMT-HXUWFJFHSA-N 322.452 3.052 0 40 DGAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1cccnc1 40108502 YDSJLBSGCIBAOM-NSHDSACASA-N 319.202 3.205 0 40 DGAB Cc1cccc(C(=O)NCc2ccc(N3CCCCCC3)nc2)n1 40122102 UYOGHPFVNWGPQD-UHFFFAOYSA-N 324.428 3.095 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c(C)o1 40461957 RNYQIGXTMLCDDR-MRXNPFEDSA-N 304.365 3.068 0 40 DGAB CCOc1ccc(C(=O)N(C)Cc2ccc(O)cc2)cc1OC 41676651 QQPQUMDOZNKYJG-UHFFFAOYSA-N 315.369 3.072 0 40 DGAB NC(=O)c1cccc(OCc2coc(-c3cccc(F)c3)n2)c1 42113354 KYZXLDVLXQXTDN-UHFFFAOYSA-N 312.300 3.159 0 40 DGAB CCCCOCCCNC(=O)Nc1cccc(-c2nnco2)c1 44087349 ICDKVZIFWUPSDI-UHFFFAOYSA-N 318.377 3.065 0 40 DGAB C/C=C1\CN2CC[C@H]1C[C@H]2[C@H](O)c1ccnc2ccc(O)cc12 45229185 VBKQRUUVDAWDIP-JPRQZJFESA-N 310.397 3.014 0 40 DGAB CCOC(=O)c1c(F)c(F)c(Br)c(F)c1F 47203075 FNVRTJMGFDPXLC-UHFFFAOYSA-N 301.033 3.182 0 40 DGAB C[C@H]1CCCN(C[C@@H](C)NC(=O)C(F)(F)c2ccccc2)C1 55405272 BTMDDCNPVWZPLY-UONOGXRCSA-N 310.388 3.015 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)N(C)Cc3ccco3)ccc12 57974418 KQPXQGMTZZORBO-UHFFFAOYSA-N 312.325 3.358 0 40 DGAB CC1(NC(=O)Nc2cccc(C(=O)NC3CC3)c2)CCCC1 58393710 HOHPRZPMBKEKOX-UHFFFAOYSA-N 301.390 3.033 0 40 DGAB CCOc1ccc(C2(CNC(=O)[C@H](C)CC)CCOCC2)cc1 58431256 AVPRMWQOTQRHIV-OAHLLOKOSA-N 319.445 3.296 0 40 DGAB CC(=O)NC1(c2noc(CCc3ccccc3)n2)CCCCC1 69513979 KAJUZLWNVOJEFO-UHFFFAOYSA-N 313.401 3.150 0 40 DGAB COCC(=O)N(Cc1ccco1)C12CC3CC(CC(C3)C1)C2 69844914 MYNHMVNUQRFKIV-UHFFFAOYSA-N 303.402 3.223 0 40 DGAB COc1cccc(-c2nc(CN[C@@H](C)[C@H]3CCCO3)cs2)c1 71793581 CCSRKGZCJJFYRN-BLLLJJGKSA-N 318.442 3.476 0 40 DGAB Cc1noc(C)c1C(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 71819998 JFVWWXCRZXJKDJ-AWEZNQCLSA-N 320.776 3.159 0 40 DGAB Cc1c(NC(=O)N[C@H](C)[C@@H]2CCCO2)cccc1OC(F)F 71854982 WSCPRMZPYZAUNV-MFKMUULPSA-N 314.332 3.285 0 40 DGAB CCc1ccc2[nH]c(C)c(I)c(=O)c2c1 72207206 ZQGACJLFUUVTMS-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB N[C@H]1C(=O)N(c2cccc(F)c2)[C@H]1c1ccc(C(F)(F)F)cc1 72227657 PCHIHNKCUXGBPI-KGLIPLIRSA-N 324.277 3.260 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72298671 PPAXYXPELBZGIZ-ZIAGYGMSSA-N 308.447 3.117 0 40 DGAB OC1=Nc2c(cnn2Cc2ccco2)[C@@H](c2cccc(O)c2)C1 72404036 KCOJYXCNACJHTM-CQSZACIVSA-N 309.325 3.354 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCc1ccsc1 75130038 JNWRXPGDNPJQPL-HNNXBMFYSA-N 317.458 3.395 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n[nH]1 76060107 WMRYCJJNFZBDMF-NVXWUHKLSA-N 309.413 3.154 0 40 DGAB C[C@H](NC(=O)CCc1ccccn1)c1cccc(-n2ccnc2)c1 76067556 HTUWUNFEBSDUNK-HNNXBMFYSA-N 320.396 3.077 0 40 DGAB Cc1cnc(CNC(=O)Nc2ccc(OC(F)F)cc2)s1 76069006 JQWXMAIRCBZHOR-UHFFFAOYSA-N 313.329 3.375 0 40 DGAB CC(=O)NCCCCCC(=O)NC1(c2cccc(Cl)c2)CC1 76935146 GXGRBHUELGGRMP-UHFFFAOYSA-N 322.836 3.142 0 40 DGAB Cc1c(C(=O)N2CCC[C@@H]2c2ccc[nH]2)[nH]c2c1C(=O)CCC2 78637125 GYEUOPWWICWCPJ-CQSZACIVSA-N 311.385 3.148 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCCCC[C@@H]2C(N)=O)cc1Cl 79097478 VSWJDTBHRIEZFS-JSGCOSHPSA-N 323.824 3.204 0 40 DGAB CN(C[C@H]1CCOC1)C(=O)c1cc(Cl)c2ccccc2c1O 80035978 XHERSCSOWWWQAX-LLVKDONJSA-N 319.788 3.307 0 40 DGAB COc1c(F)cc(NC(=O)N2CCSC(C)(C)C2)cc1F 83559055 AABUCZPGBAVFAU-UHFFFAOYSA-N 316.373 3.333 0 40 DGAB Cc1nn(C)c(Oc2cccnc2)c1NC(=O)c1ccccc1 84013763 QMROVSKPWKNGPG-UHFFFAOYSA-N 308.341 3.168 0 40 DGAB CN(Cc1nccs1)C(=O)Nc1ccc(-c2cc[nH]n2)cc1 89364919 LQUWZNBNZCRRSO-UHFFFAOYSA-N 313.386 3.197 0 40 DGAB Cc1cc(CS[C@H]2CCN(c3c(F)cccc3F)C2=O)no1 89605014 PPUVFBSAXCNUQG-ZDUSSCGKSA-N 324.352 3.300 0 40 DGAB O[C@H](CN(Cc1ccccc1)Cc1ccncc1)c1ccco1 89832642 DWYRHEKFLSTLGK-GOSISDBHSA-N 308.381 3.410 0 40 DGAB COCCC1(CNC(=O)Nc2cccc([C@H](C)OC)c2)CC1 89905247 KSUYVNLGJNDQMV-ZDUSSCGKSA-N 306.406 3.332 0 40 DGAB C[C@H](NC1CCN([C@H]2CCCC[C@@H]2O)CC1)c1cccs1 90525502 BKAVWVJASLENQG-BPUTZDHNSA-N 308.491 3.167 0 40 DGAB Cc1ccc2ncnc(Oc3ccc(-n4cncn4)cc3)c2c1 92655973 BLNOSMZUICCUJZ-UHFFFAOYSA-N 303.325 3.311 0 40 DGAB CN(C(=O)Nc1ccc(OC[C@@H]2CCOC2)cc1)C1CCC1 95403983 SPBDJLMKRSPQJC-CYBMUJFWSA-N 304.390 3.118 0 40 DGAB FC(F)(F)[C@H](Cc1ccncc1)NC[C@H]1Cc2ccccc2O1 95419703 SDQIXHZZIPBAFI-ZBFHGGJFSA-N 322.330 3.148 0 40 DGAB O=C(N[C@H]1CCCc2cn[nH]c21)C1(Cc2ccccc2)CCC1 95423941 NIWSGQKYFUSDNO-INIZCTEOSA-N 309.413 3.316 0 40 DGAB CCOC(=O)CCCCn1nc(C)nc1-c1ccccc1C 95960729 AMKUOIFTTBDACP-UHFFFAOYSA-N 301.390 3.295 0 40 DGAB CC(C)CN1CCC2(CCN(Cc3ccsc3)CC2)C1=O 96046765 GVPWDEMJGQOUBK-UHFFFAOYSA-N 306.475 3.219 0 40 DGAB Cc1ccc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)nc1 96192975 IBCBXWWKSOJBDR-QGZVFWFLSA-N 313.332 3.051 0 40 DGAB CC(C)(C)OC(=O)N1Cc2nc(Br)sc2C1 96307087 CDSSEIKIKLGYMP-UHFFFAOYSA-N 305.197 3.156 0 40 DGAB CN(C)c1cc(CNC(=O)CCc2ccco2)c2ccccc2n1 96441237 UXPWKVMXOYOZEE-UHFFFAOYSA-N 323.396 3.143 0 40 DGAB C[C@H](CNC(=O)Nc1ccc(C(C)(C)C)nn1)c1nccs1 97113406 CPBGKDULYQMJGO-SNVBAGLBSA-N 319.434 3.156 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNCCc2csc(C)n2)o1 97159592 OCVFOFXUIWSWTL-UHFFFAOYSA-N 302.403 3.075 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)Nc1ccc([S@@](C)=O)cc1 97162325 PLTXBLDUTMXIGI-QFIPXVFZSA-N 319.386 3.242 0 40 DGAB CCn1ccc2cc(NC(=O)c3cnc4c(c3)ncn4C)ccc21 97235017 WMGVWNSJYNJIBK-UHFFFAOYSA-N 319.368 3.195 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1cccc(F)c1 97377261 HVXKDGZNDNMRIU-NSHDSACASA-N 304.369 3.216 0 40 DGAB Cc1ccnc(N[C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)n1 100105920 MNNROZVCALRQGZ-BETUJISGSA-N 306.410 3.033 0 40 DGAB CC(=O)C(C(C)=O)C(c1ccccc1Cl)C(C(C)=O)C(C)=O 101403623 JKINXRIZQOOXPI-UHFFFAOYSA-N 322.788 3.012 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)c2c(C)noc2n1 102128140 BCULXEWUHNBOIE-IGHBBLSQSA-N 313.401 3.394 0 40 DGAB O=C(CC12C[C@H]3C[C@@H](CC(O)(C3)C1)C2)Nc1ccccc1O 102518719 GJJLUPVJMCHPTO-LGBHXNNWSA-N 301.386 3.052 0 40 DGAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCO[C@@H](C)C2)cc1 103428591 MXAWRYWCLSYROU-LPHOPBHVSA-N 324.424 3.396 0 40 DGAB CO[C@@H]1CCC[C@H](OC(=O)c2ccc([S@@](=O)C(C)C)cc2)C1 107358141 SEPGYKWQSGDRQX-ZCCHDVMBSA-N 324.442 3.317 0 40 DGAB COC(=O)c1ccc([C@@H](C)N2CCO[C@H](c3ccc(C)o3)C2)o1 108373879 WUAJKNNCYMKXNV-WBMJQRKESA-N 319.357 3.102 0 40 DGAB CC(=O)N1CC[C@H](CN(C)[C@@H]2CC[C@@](C)(c3ccccc3)C2)C1 187478312 MELNFCCFLNXFLW-MISYRCLQSA-N 314.473 3.297 0 40 DGAB CCOC(=O)[C@H](C)[C@H](C)NC(=O)Nc1cccc(C(F)F)c1 192943832 QKMRDUFFNBHBPC-ZJUUUORDSA-N 314.332 3.333 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C 222779902 BLSLRQPQWUCVPF-HZPDHXFCSA-N 314.458 3.029 0 40 DGAB S=C(Nc1ccc(N2CCCCC2)nc1)NC1CCCC1 224034660 XVBLIQUUFLGFAR-UHFFFAOYSA-N 304.463 3.301 0 40 DGAB COC(=O)c1ccc(OC)c(NC(=O)c2cc(C)ccc2C)c1 224993327 WYRAAYWHZNDKBJ-UHFFFAOYSA-N 313.353 3.351 0 40 DGAB Cc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 225183537 UPNHARQNVHTXAM-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB COc1ccc(C)cc1Nc1ccc(C(=O)NC2CC2)cc1N 225434210 FZGSPZFFNCZPBE-UHFFFAOYSA-N 311.385 3.222 0 40 DGAB CC(=O)c1cccc(Nc2ccc(C(=O)N3CCCC3)cc2N)c1 225435930 HYWWDYFUDQVVGH-UHFFFAOYSA-N 323.396 3.451 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)NCC(C)(C)C)n2)cc1 225813162 UWVFCJWWDSKTQB-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@@H](C)O[C@H](C)C3)o2)cc1N 226304206 JFZBYYJQHIOINH-CHWSQXEVSA-N 314.385 3.087 0 40 DGAB O=C1c2ccccc2-c2ccc(S(=O)(=O)O)c3cccc1c23 227174128 SZGWREBXEBDZAA-UHFFFAOYSA-N 310.330 3.298 0 40 DGAB Cc1cccc(O[C@@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)n1 238970777 ZJWHVTVIKSAKOY-OAHLLOKOSA-N 316.788 3.337 0 40 DGAB Cc1cnc([C@@H]2CCCN(S(=O)(=O)c3ccccc3)C2)s1 257323086 WISDDYXCKWEYMU-CYBMUJFWSA-N 322.455 3.020 0 40 DGAB Cc1nc(SCc2ccc(C(=O)O)o2)nc2c1CCCC2 408558016 RMUOLFNXCZYOQB-UHFFFAOYSA-N 304.371 3.247 0 40 DGAB COc1ccc(C(=S)NCc2cccc(C)c2)c(OC)c1 408572326 GFRMLZDYQPTYCQ-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB C[C@]1(O)CCCC[C@@H]1[C@@H]1CCCN1C(=O)COC1CCCCC1 502099446 SJWCUYSUCKVUKP-AOIWGVFYSA-N 323.477 3.268 0 40 DGAB COCC1(C)CCN(C(=O)Nc2cnn([C@@H](C)C3CC3)c2)CC1 547997259 ZCQAIWAVCMRKNL-ZDUSSCGKSA-N 320.437 3.135 0 40 DGAB O=C(c1cc(Br)ccc1Cl)N1CC(C(F)F)C1 585391177 IYBQOXCHPREDMM-UHFFFAOYSA-N 324.552 3.440 0 40 DGAB CC(C)C[C@H]1COc2ccccc2C(=O)N(C)CCCCCN1 643564199 VZKNAQATHFVDRK-INIZCTEOSA-N 318.461 3.326 0 40 DGAB COCc1nccc(NC(=O)NC[C@]2(C)CC[C@H](C)C2(C)C)n1 667960570 QBVZMXOLKYXRTB-SJCJKPOMSA-N 320.437 3.207 0 40 DGAB O=C(O)c1cc2ccc(Br)cc2nc1OCC1CC1 685937084 KFBRHMGKBQTEBG-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB CCc1ccc(CN2CCC(Oc3ncc(F)cn3)CC2)cc1 1204179638 WSUDTRMPNNJMJT-UHFFFAOYSA-N 315.392 3.222 0 40 DGAB Cc1cnc(C)c(OC2CCN(Cc3ccccc3F)CC2)n1 2087136684 TVNYRBOWYOUELV-UHFFFAOYSA-N 315.392 3.276 0 40 DGAB CC(=O)Nc1c[nH]c2ccoc2c1=N[C@@H]1CCCCC1(F)F 2362804394 UMKVMXVNXRDBIJ-GFCCVEGCSA-N 309.316 3.198 0 40 DGAB Cc1cc(NC(=O)c2cccnc2)ccc1NC(=O)c1ccco1 238096 RHKCPTJIDSINEA-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB COc1ccc(N2C(=O)C[C@H]([C@H](C)c3ccccc3)C2=O)cc1 281874 AXRGWJWMPSXWHE-CXAGYDPISA-N 309.365 3.378 0 40 DGAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@H]1c1ccc[nH]1 84525303 IXAOTZUEGVCWFQ-IRXDYDNUSA-N 309.369 3.196 0 40 DGAB Cc1ccc(CNC(=O)c2ccccc2Br)cn1 47556598 WGURHPJBCJZIFB-UHFFFAOYSA-N 305.175 3.083 0 40 DGAB Cc1cc(=O)oc(C)c1C(=O)Nc1cccc(-c2cnco2)c1 78985128 DRHSPXZVJMOWJS-UHFFFAOYSA-N 310.309 3.164 0 40 DGAB C[C@@]1(C(=O)Nc2ccc3c(c2)OCCCO3)CC1(Cl)Cl 23039775 LJNFCOXEGDXAQL-ZDUSSCGKSA-N 316.184 3.370 0 40 DGAB COc1ccccc1CN(Cc1cccnc1)C[C@@H]1CCCO1 57811331 DHOOCONXZPWIQD-SFHVURJKSA-N 312.413 3.271 0 40 DGAB O=C(c1c[nH]c(=S)n1-c1ccc(F)cc1)N1CCCCC1 12553186 KBJUYHATYDWAOT-UHFFFAOYSA-N 305.378 3.300 0 40 DGAB CCc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)cc1 9235179 XSBLBPKUJKMJML-UHFFFAOYSA-N 324.424 3.327 0 40 DGAB C[C@@H](NC(=O)[C@@H]1C[C@H]2CC[C@H]1O2)c1ccc(-c2ccncc2)cc1 108352920 JDMPCDQRZCXDOC-BYNBJNPRSA-N 322.408 3.493 0 40 DGAB O=C(c1sccc1-c1ccccc1)N1CC(n2cccn2)C1 57821852 HHAXQCWJCGAMBA-UHFFFAOYSA-N 309.394 3.309 0 40 DGAB Fc1cccc(OC(F)F)c1CNCc1cn2ccccc2n1 72926996 NVMZHSGXKKIYSK-UHFFFAOYSA-N 321.302 3.365 0 40 DGAB CN(c1ccccc1)c1ccc(CNC(=O)c2ccco2)cn1 44797485 IBSNNFVKGYNTTD-UHFFFAOYSA-N 307.353 3.373 0 40 DGAB C[C@@H]1CN(CC(=O)C23CC4CC(CC(C4)C2)C3)CC(C)(C)O1 84705759 MSHFNHZBVPJOKN-PGBRGIIUSA-N 305.462 3.271 0 40 DGAB Cn1ccnc1SCC1CCN(C(=O)OC(C)(C)C)CC1 58162861 MWTAPLXHBQHELR-UHFFFAOYSA-N 311.451 3.159 0 40 DGAB NC(=O)c1ccccc1OCc1csc(C2CCCC2)n1 58184180 HAQDIEZVVSTXCS-UHFFFAOYSA-N 302.399 3.479 0 40 DGAB CCN(C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)nc2Cl)C1 84760841 ZEHOCHSALUMQDJ-CYBMUJFWSA-N 324.856 3.157 0 40 DGAB Cc1cc2ncc(C(=O)N[C@@H](C)CCc3ccccc3)c(C)n2n1 27800876 BXRQEMBAINVNEC-ZDUSSCGKSA-N 322.412 3.097 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1cc(C)oc1C 3319977 SZRLMIPYRQNHND-UHFFFAOYSA-N 317.341 3.091 0 40 DGAB O=C(Nc1cccc(NC(=O)c2cccc(F)c2)c1)NC1CC1 36398178 ZODWOADNILJEMG-UHFFFAOYSA-N 313.332 3.362 0 40 DGAB CS[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426191 MTDXJJSFTJWELA-HZSPNIEDSA-N 312.479 3.062 0 40 DGAB Cc1ccc(Cl)c(O[C@@H](C)C(=O)N2C[C@H](C)O[C@@H](C)C2)c1 103409092 FVGVBHAANRXPMK-AVGNSLFASA-N 311.809 3.052 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2cccc3cccnc23)cc1 10913302 UXQWIYKCNTUYNM-UHFFFAOYSA-N 319.364 3.374 0 40 DGAB O=C(CSc1nc2ccccc2o1)N[C@H]1C[C@@H]2CC[C@@H]1C2 100647607 UDXWSHXOKQVZDV-WZRBSPASSA-N 302.399 3.225 0 40 DGAB Cc1cccn2cc(C[S@](=O)Cc3ccc(F)c(F)c3)nc12 95409385 ZJXYBKCDLSABDE-QFIPXVFZSA-N 320.364 3.370 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@H]1c1nnc2n1CCCCC2 29247110 KSAOEHLVFHSCPU-INIZCTEOSA-N 324.428 3.290 0 40 DGAB CC(C)n1nccc1NC(=O)CCCOc1cccc(F)c1 59877645 FFWZEMZPWHVZGR-UHFFFAOYSA-N 305.353 3.401 0 40 DGAB C[C@H](OC(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2o1 95461466 SBSMQQHDJZGFMI-JTQLQIEISA-N 311.293 3.475 0 40 DGAB C[C@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(N)=O)C1 2749049 WHXYLSPRAGLDDA-VIFPVBQESA-N 306.431 3.101 0 40 DGAB Cc1cc(C(=O)NCc2ccnc(Oc3ccccc3)c2)on1 46916063 UNFAWMCCFATIFC-UHFFFAOYSA-N 309.325 3.100 0 40 DGAB COc1cc(C(=O)Oc2ccc(C(C)=O)cc2)cc(OC)c1C 3452718 IZJYIWYUKQAOAS-UHFFFAOYSA-N 314.337 3.434 0 40 DGAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccc2nccnc2c1 95445820 QJOKNFMJAKLTRB-CYBMUJFWSA-N 321.380 3.039 0 40 DGAB CSc1ccc(NC(=O)c2ccc(-n3cncn3)cc2)cc1 12999816 VGTFOQNJDIJACJ-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB CC(C)(C)CCNC(=O)[C@@H]1CC(c2ccc(Cl)s2)=NO1 48702991 QESJTWCDWUQRPN-JTQLQIEISA-N 314.838 3.447 0 40 DGAB CC(=O)Nc1ccccc1OCc1nc(CCC(C)C)no1 63429156 SRVCXGUMQMTTGJ-UHFFFAOYSA-N 303.362 3.196 0 40 DGAB C[n+]1ccc(CNC(=O)c2cccc(Oc3ccccc3)c2)cc1 4106326 DLWJWEROUIMBLP-UHFFFAOYSA-O 319.384 3.233 0 40 DGAB c1ccc2c(c1)CCSC[C@@H]2NCCCOC[C@H]1CCOC1 95423024 LEPITJVDHUTJRA-QAPCUYQASA-N 321.486 3.050 0 40 DGAB COCc1cccc(NC(=O)c2cn(-c3ccccc3)cn2)c1 226754113 QIPYFDHAYZUXMZ-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1cnc2ccccc2n1 5425125 WRWIFJYMXRGZJS-OAHLLOKOSA-N 303.365 3.437 0 40 DGAB CCCc1cc(=O)oc2cc(OCC(=O)OCC)c(Cl)cc12 4749548 DJXPARCZURELJI-UHFFFAOYSA-N 324.760 3.341 0 40 DGAB COc1ccc(NC(=O)CCN2C[C@@H](C)C[C@@H](C)C2)c(OC)c1 4744628 SWWAYZZLBLKRTF-OKILXGFUSA-N 320.433 3.010 0 40 DGAB O=C(Nc1nc(-c2cccnc2)cs1)c1cn2ccccc2n1 6909676 WSOONBVECGSSIV-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB Cc1cccc(NC(=O)COc2cccc(N3CCCC3=O)c2)c1 7063683 DPYCPGSWIAVUOC-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB O=S(=O)(Nc1ccccc1OC(F)F)c1cccc(F)c1 7409128 GALBSBHBDJDQLD-UHFFFAOYSA-N 317.288 3.228 0 40 DGAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)c(OC)c1 7735512 RYBXTSUYEXUTBJ-UHFFFAOYSA-N 311.381 3.374 0 40 DGAB COc1csc(C(=O)NCc2ccc(-c3ccn[nH]3)cc2)c1 96446249 BTIXMYDCUQRDGS-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB CCc1nc([C@@H](C)NC(=O)Nc2cnn(CC(C)C)c2)cs1 96435529 FXDZLZSJJYTWJI-LLVKDONJSA-N 321.450 3.441 0 40 DGAB CC[C@@H](NC(=O)c1ccc(O)c(Cl)c1)c1c(C)nn(C)c1C 96441068 QPHNBRAMIIXPRU-CYBMUJFWSA-N 321.808 3.277 0 40 DGAB CCCN1C(=O)CCc2cc(NC(=O)C3=COCCC3)ccc21 91154298 MIHMFFYBWMGHRV-UHFFFAOYSA-N 314.385 3.009 0 40 DGAB C[C@@H]([C@@H](C)NCc1c[nH]nc1-c1cccs1)n1cccn1 69368647 ZVSWDFXKYJTFKU-NEPJUHHUSA-N 301.419 3.074 0 40 DGAB COc1ccc(-c2nnc3n2N=C2CCCC[C@H]2S3)cc1 8342566 QIJWISTZIFBMHW-CYBMUJFWSA-N 300.387 3.206 0 40 DGAB C[C@H](NCc1c[nH]nc1-c1ccc(F)cc1)[C@@H](C)n1cccn1 69418021 WITUHJXCXMWRDI-QWHCGFSZSA-N 313.380 3.152 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](n3ccnc3)C2)c(C)n1C(C)C 69919173 GWHJIDCJBZGZIL-INIZCTEOSA-N 314.433 3.360 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1F 96892162 LRKBBMDJAZTNTG-XNTDXEJSSA-N 311.312 3.487 0 40 DGAB CCn1ccc2ccc(NC(=O)N[C@@H]3CCc4[nH]ncc4C3)cc21 95975252 GSBLMRSMJCFPOP-CQSZACIVSA-N 323.400 3.063 0 40 DGAB CSc1ccc(NC(=O)[C@@H](C)N[C@H](C)c2ccncc2)cc1 97084040 BZIXENADTDHBAX-CHWSQXEVSA-N 315.442 3.481 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@H](C)C[C@@H](O)c3ccco3)c2c1 97059821 RYZXCOUCZUMCLL-MLGOLLRUSA-N 312.369 3.311 0 40 DGAB C[C@@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)c1ccsc1 97017393 SHGRMVGBWMNOKD-RISCZKNCSA-N 303.383 3.184 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1ccccc1-n1ccnc1 84241074 VTTMWFWVLJMRQD-UHFFFAOYSA-N 309.417 3.183 0 40 DGAB CC(=O)NC1CCC(NC[C@@H](C)c2ccc(F)c(F)c2)CC1 97102562 WVPVVDBAWUPZMO-VCANKDNSSA-N 310.388 3.105 0 40 DGAB Cc1ccc2c(n1)OCCN2Cc1csc([C@@H]2CCCO2)n1 97109930 QINOJZDYWPNGFT-AWEZNQCLSA-N 317.414 3.097 0 40 DGAB CCOc1ccc(C(=O)N2CCCCC2)cc1Br 21315462 KFKNDZUWBBAMKH-UHFFFAOYSA-N 312.207 3.474 0 40 DGAB CC[C@H]1CCN1C(=O)c1cnn(-c2ccc(F)cc2F)c1C 558163129 SWOVWZDTPRMGAC-LBPRGKRZSA-N 305.328 3.083 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2OC)C1=O 36635548 JURNWNSOXKEVJP-OAHLLOKOSA-N 324.380 3.002 0 40 DGAB CN1CCC[C@@H](c2cnc(NCc3cccc(F)c3)cn2)C1 72365088 DVORBGXVFQCSKA-CQSZACIVSA-N 300.381 3.037 0 40 DGAB O=C(O)Cc1csc(COc2cccc(C(F)(F)F)c2)n1 72228342 SIWOPQFWOSLYLX-UHFFFAOYSA-N 317.288 3.368 0 40 DGAB CNC(=O)c1sc2ccccc2c1[C@H]1CCN(C(C)C)C1 72370209 CMEYGQKQGDAWAL-LBPRGKRZSA-N 302.443 3.459 0 40 DGAB C[C@@H](O)CN[C@@H](c1ccc(Br)cc1)c1ccco1 183924232 LAVSZOXLHXLWAD-YGRLFVJLSA-N 310.191 3.102 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc(-c2ccco2)[nH]n1 30513259 BBADTNWWJCMSAV-UHFFFAOYSA-N 301.733 3.253 0 40 DGAB Nc1ccccc1SCC(=O)Nc1ccc(F)c(F)c1F 37022349 LLXXVNOOOHVSBP-UHFFFAOYSA-N 312.316 3.417 0 40 DGAB C[C@H]1Cc2cc(S(=O)(=O)Nc3ccccc3Cl)ccc2N1 78403893 MZZGCQHUDUFSRK-JTQLQIEISA-N 322.817 3.497 0 40 DGAB c1ccc(Oc2ncccc2-c2noc(-c3cnccn3)n2)cc1 78774551 BXPZLIDXFBRSMG-UHFFFAOYSA-N 317.308 3.381 0 40 DGAB CN[C@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C1CC1 79437932 WFOLKPOXBYICIS-IRXDYDNUSA-N 302.418 3.318 0 40 DGAB N[C@@H]1C(=O)N(c2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227386 WEWPEWXTXJDILC-UONOGXRCSA-N 306.287 3.121 0 40 DGAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccc1 226853050 YASZBFMQUUGUCW-AWEZNQCLSA-N 307.353 3.278 0 40 DGAB COc1cccc(OC)c1CCC(=O)Nc1ccccc1F 225994042 MAICXQHLUUNBOG-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)C3CCCC3)C2)n1 41123211 BRKKGXKFYZPXAQ-TZMCWYRMSA-N 305.422 3.479 0 40 DGAB COc1ccc(C(=O)Nc2cccc([C@H](C)O)c2)cc1OC 226274573 ABPPBUYGZNBDNR-NSHDSACASA-N 301.342 3.009 0 40 DGAB CN(C)C(=O)CNC1(c2cc(C(F)(F)F)ccc2Cl)CC1 191250371 HNJZZZVTUUUQNO-UHFFFAOYSA-N 320.742 3.026 0 40 DGAB CN1CCC[C@H]1CCSc1nnc(Cc2cccs2)n1C 96485289 XHOBQOFRNRUNEE-LBPRGKRZSA-N 322.503 3.044 0 40 DGAB CCC(=O)N1CSC[C@@H]1c1nc(-c2ccc(C)cc2)no1 585133367 GQHFIFFHZHCMHS-GFCCVEGCSA-N 303.387 3.029 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2ccc3ncccc3c2)C2CC2)n1 96487319 ALAPHEOCVHKJCW-KRWDZBQOSA-N 318.380 3.214 0 40 DGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CCC(O)CC1 96446769 RXNILDLWYAXNHA-CQSZACIVSA-N 304.434 3.048 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1ccc(OC(F)F)c(F)c1 96434144 NDPIMPUUVIITBH-SNVBAGLBSA-N 318.295 3.070 0 40 DGAB c1ccc2c(c1)CC[C@@H]2NCc1ccnc(O[C@H]2CCOC2)c1 90954245 UZNNTYNTDBESKI-WMZOPIPTSA-N 310.397 3.026 0 40 DGAB Cc1cccc(CN2CC[C@]3(CCN(Cc4ccco4)C3)C2=O)c1 96050559 HBGXOYYQNHVLJF-FQEVSTJZSA-N 324.424 3.213 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2cccc(F)c2)C1 143789202 KYLSRFZKDUJGJF-ZDUSSCGKSA-N 307.365 3.194 0 40 DGAB COCc1ccccc1CNC(=O)Nc1cnn(CC(C)C)c1 96435536 NUJZCIMZZZEHCK-UHFFFAOYSA-N 316.405 3.007 0 40 DGAB O=C(/C=C/c1cc(Br)cs1)NCc1ccccn1 96430441 NMVJMLDOEZWTGP-SNAWJCMRSA-N 323.215 3.235 0 40 DGAB COc1ccc(CCNC(=O)[C@H]2CCC(=O)[C@@H](C)C2)c(Cl)c1 330514034 DHXKTMWGTLDVPJ-AAEUAGOBSA-N 323.820 3.013 0 40 DGAB Cn1ccc2cc(C(=O)NCCc3nc4ccccc4[nH]3)ccc21 96116596 HCLRNIRSYLPSRK-UHFFFAOYSA-N 318.380 3.027 0 40 DGAB Cc1cc(-c2noc(CN)n2)cc(C)c1OCc1ccccc1 95095343 BVLJATOMEYQOEL-UHFFFAOYSA-N 309.369 3.391 0 40 DGAB CCc1nc2n(n1)CCC[C@@H]2NCc1ccc([C@@H]2C[C@H]2C)o1 246164623 DVPBFXUQDZHPCX-BNOWGMLFSA-N 300.406 3.182 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](Cc2cncc(Cl)n2)C1 257294321 QTOSITXTVUHATK-LLVKDONJSA-N 311.813 3.320 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)N[C@H]1C[C@H]2CC[C@H]1C2 251218885 MGEIFWGOINWVLT-AJNGGQMLSA-N 303.402 3.157 0 40 DGAB O=C(c1ccccc1Cl)N1CCC[C@@H](Cc2ccn[nH]2)C1 257228794 FVGAOJLWKWMOBA-LBPRGKRZSA-N 303.793 3.158 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N2CCCC[C@H]2c2cn[nH]c2)C1 253370490 RMBYJXADCZLHKX-KFWWJZLASA-N 322.478 3.321 0 40 DGAB CC(=O)N1CCC[C@H](c2ncc(Cc3ccccc3F)o2)C1 257308394 TWOMSCSGOCSMJE-AWEZNQCLSA-N 302.349 3.130 0 40 DGAB CCn1ccc(-c2nc(C(=O)O)cc3c4ccccc4n(C)c23)n1 575410899 PWKGDDOFUJOTBG-UHFFFAOYSA-N 320.352 3.308 0 40 DGAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc2c(c1)CCC2 31564884 MQPZPBNIYLRVJV-UHFFFAOYSA-N 313.304 3.298 0 40 DGAB Cc1cccc(C[S@@](=O)[C@@H](C)C(=O)NC2CCCCC2)c1 71858890 IYXFKRGTRXMACB-QKKBWIMNSA-N 307.459 3.081 0 40 DGAB COc1cc(-c2noc([C@@H]3C[C@H]3c3ccccc3OC)n2)ccn1 73339202 XTVGBZPZOHMCRG-UONOGXRCSA-N 323.352 3.420 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)c2ccc(Cl)cc2F)C1 43583623 GNPQIOWSEQNFKF-SNVBAGLBSA-N 313.756 3.196 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC(Oc2ccncc2)C1 1776008825 PFEZQXGEPNSSNK-UHFFFAOYSA-N 303.749 3.030 0 40 DGAB CC[C@H](NC(=O)NCCCCCC(=O)OC)c1cccs1 57242300 BATFQLKPKVOACV-LBPRGKRZSA-N 312.435 3.232 0 40 DGAB CCc1ccc(CNCC2CN(C(=O)OC(C)(C)C)C2)cc1 95447458 VYGFEOMZBWLCLS-UHFFFAOYSA-N 304.434 3.206 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc(F)cc(F)c2)c1C 12872599 UEAIKQIGOGIKBF-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB Cc1nc2ccccc2nc1SCc1cn2cccnc2n1 16265537 LSBCPXCIITXEOR-UHFFFAOYSA-N 307.382 3.273 0 40 DGAB O=C(CCc1nc(-c2ccc(F)cc2)no1)NC1CCCCC1 17357281 ZRPNFOJBBLDGFT-UHFFFAOYSA-N 317.364 3.257 0 40 DGAB CCOc1nc(C)c(NC(=O)c2ccc(Cl)cc2)c(C)n1 206719645 WEFIPOYPQYDWSD-UHFFFAOYSA-N 305.765 3.398 0 40 DGAB CC(C)[C@H](NCC(=O)NCc1ccco1)c1ccc(F)cc1 16695463 QVCGUUPUKLDRIL-KRWDZBQOSA-N 304.365 3.022 0 40 DGAB O=C(Nc1ccccc1-c1cn2ccccc2n1)c1ncccn1 206899890 RWMKCXLFBDPVLT-UHFFFAOYSA-N 315.336 3.044 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)Nc1ccc2c(c1)CCC2 10442855 CTRNBYRYWMXPAN-UHFFFAOYSA-N 309.365 3.475 0 40 DGAB C[C@H](NC(=O)COCCOc1ccccc1)c1ccccc1F 40130383 NQDGGKIQIHXHRV-AWEZNQCLSA-N 317.360 3.099 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccc(F)c(F)c2)cn1 40142431 CAPMLFVUBNULIQ-UHFFFAOYSA-N 305.328 3.458 0 40 DGAB Cc1ccc(CN[C@H]2CCN(CCc3ccccc3)C2)s1 50225376 PLEYYHQBFZRUOA-KRWDZBQOSA-N 300.471 3.463 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1ccncc1)N1CCN(C)CC1 20192856 BLYAYCLKDQAOOO-HXUWFJFHSA-N 320.440 3.208 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)OCC(F)(F)F)c2cccnc12 31728150 QRVNZBZTQQOIAR-SNVBAGLBSA-N 312.291 3.449 0 40 DGAB CCOC(=O)c1c(N)sc(C(=O)OC2CCCCC2)c1C 151388 JWTJBVNVEQMNJZ-UHFFFAOYSA-N 311.403 3.305 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)c1cc(=O)[nH]c2ccccc12 32124479 UONPJKDPDCWGJH-UHFFFAOYSA-N 303.321 3.262 0 40 DGAB biogenic O=C(CSc1nnc(-c2ccccc2O)o1)c1ccccc1 80781 ZESIYWZBVFUUAD-UHFFFAOYSA-N 312.350 3.417 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1 130695 JLMNKFSDVWUFPN-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB OCc1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2[C@H]1O)CCC3 1646178 BSHZCNKXGSJSNV-NHCUHLMSSA-N 306.405 3.042 0 40 DGAB COc1ccc2c(c1)CCN(c1ccc(F)cc1)[C@H]2C(=O)O 2527034 GGONKEAAHKUABZ-MRXNPFEDSA-N 301.317 3.023 0 40 DGAB Cc1cccc(OCC(=O)n2nc(C)c(Br)c2C)c1 2763023 IYNVDUAQWSPJRP-UHFFFAOYSA-N 323.190 3.290 0 40 DGAB CCn1ncc(C(=O)Nc2cccc(Br)c2)c1C 2764819 IIOFMLOYQHSBFZ-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB COc1ccc(-c2nnc(NC(=O)c3ccc(C)cc3)o2)cc1 3073304 HELCVDMOEAZLRA-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB COP(=O)(OC)C(NC(=O)C(C)(C)C)=C(Cl)Cl 3124307 BCZGHMIITOTJRG-UHFFFAOYSA-N 304.110 3.239 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 3440785 VZTZMCYGIZFKGH-UHFFFAOYSA-N 316.332 3.110 0 40 DGAB COc1ccc(Cc2nnc(Nc3ccccc3C)nc2O)cc1 4032408 UUDYDDIQVIPXEE-UHFFFAOYSA-N 322.368 3.229 0 40 DGAB CC(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 5034325 KGISUBKQZUVDMG-UHFFFAOYSA-N 308.337 3.060 0 40 DGAB C[C@@H](Sc1nc(-c2ccccc2)n[nH]1)C(=O)NC1CCCC1 5209854 BCROMKYRMDEYLH-LLVKDONJSA-N 316.430 3.011 0 40 DGAB CC(C)c1ccc(/C=C/C(=O)NCc2nnc3ccccn23)cc1 7898723 QUDDSUUAEZWSND-DHZHZOJOSA-N 320.396 3.182 0 40 DGAB Cn1cc(C(=O)N[C@@H]2CCOc3ccccc32)c2ccccc21 8029361 SCUMZTNVNPYMDH-MRXNPFEDSA-N 306.365 3.432 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)o2)c1 8327583 YTOKHPLSWJSMSL-UHFFFAOYSA-N 300.358 3.322 0 40 DGAB O=C(c1ccccc1)c1cc2c(cc1NC(=O)C1CC1)OCCO2 9028558 RPRVBTGCEPRWTJ-UHFFFAOYSA-N 323.348 3.037 0 40 DGAB Clc1ccc(-n2nnnc2SCc2ccccn2)cc1 9367897 NOPMEUBIMANXAC-UHFFFAOYSA-N 303.778 3.003 0 40 DGAB CCc1ccc(CCC(=O)NCCN2CCCCCC2)cc1 10325036 KVVCZLHMHPMTJO-UHFFFAOYSA-N 302.462 3.174 0 40 DGAB Cc1ccc(OCCNc2ccccc2C(=O)NC2CC2)cc1 10765856 YMPXWVDALQLBBJ-UHFFFAOYSA-N 310.397 3.378 0 40 DGAB CCN(CC)C(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11596817 OBGRFRUWJAZQQQ-UHFFFAOYSA-N 324.428 3.300 0 40 DGAB O=c1c2ccc(Cl)cc2ncn1C[C@@H]1CC1(Cl)Cl 12751065 BYOGNXJYWZRJRH-ZETCQYMHSA-N 303.576 3.244 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1C 12755671 WHZKGNALAINGHY-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB Cc1csc(=O)n1CCC(=O)Nc1ccc(F)cc1Cl 14796681 SQPJSTXXLSLLTF-UHFFFAOYSA-N 314.769 3.040 0 40 DGAB O=C(c1cc(F)ccc1F)N1CCN(c2ccc(F)cc2)CC1 16494139 FFMYNHLXLDOGKU-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2cccs2)cc2c1OCCO2 17842402 WJFVNNYZEHDPCB-JTQLQIEISA-N 319.382 3.019 0 40 DGAB CCCn1ncc(CN[C@@H]2CCC[C@H]2Cc2cc(C)no2)c1C 19525964 PPVCNWFGBIZOFA-MAUKXSAKSA-N 316.449 3.399 0 40 DGAB CCCCN[C@@H](NC(=O)C(C)(C)C)C(Cl)(Cl)Cl 19879158 JFFMHQQWYCXVHG-QMMMGPOBSA-N 303.661 3.235 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NCCSC(C)(C)C)c1 20110167 GSVJAVFSHGLDDR-GFCCVEGCSA-N 311.447 3.110 0 40 DGAB Cc1cccc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1 21800329 KTJIEXKDIJHUIW-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(CCNc1ccccc1)NCc1nc2ccccc2s1 24474415 LNGOPEHYWAXYGX-UHFFFAOYSA-N 311.410 3.415 0 40 DGAB CCC(C)(C)NC(=O)CN[C@H](c1ccccc1)c1ccccn1 26880090 FYQOSSSNPYWIJR-GOSISDBHSA-N 311.429 3.065 0 40 DGAB CC[C@H](C)NC(=O)COc1ccc(-c2nc(C(C)C)no2)cc1 32579084 OMKLNWIBVVSKBG-LBPRGKRZSA-N 317.389 3.154 0 40 DGAB CC(C)(C)c1ccc(CNS(=O)(=O)c2ccccc2)cc1 33862664 YOGVRNPVXGBYRC-UHFFFAOYSA-N 303.427 3.463 0 40 DGAB CCS(=O)(=O)c1ccc(NCc2ccc(OC)cc2)cc1 35348242 CKFMFJGGHXDLFC-UHFFFAOYSA-N 305.399 3.101 0 40 DGAB Cc1cc(C(=O)N2CCCC2)c2cnn(-c3ccccc3F)c2n1 36616701 PGBBDZODGJEHIK-UHFFFAOYSA-N 324.359 3.104 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2C[C@@H]1C 39538650 BCFKGTXJOAGWGS-ZDUSSCGKSA-N 318.376 3.091 0 40 DGAB O=C(NCc1cccc(C(F)(F)F)c1)Nc1nccs1 40050609 SWOJSAUZIZQVAI-UHFFFAOYSA-N 301.293 3.484 0 40 DGAB C[C@@H](NC(=O)NCCc1ccc2c(c1)OCO2)c1cccs1 40120697 VKCGKZYWUNYBNU-LLVKDONJSA-N 318.398 3.080 0 40 DGAB CCCc1noc(C2CCN(C(=O)c3cccs3)CC2)n1 41121849 PVXAWNIOQMWSCE-UHFFFAOYSA-N 305.403 3.103 0 40 DGAB O=C(CSCc1cccnc1)N1CCC[C@@H]2CCCC[C@H]21 41774942 SPZASPUAGKAEGY-JKSUJKDBSA-N 304.459 3.496 0 40 DGAB O=c1[nH]ncc(NCc2cccc(C(F)(F)F)c2)c1Cl 44874362 USXOSTXPHWZONC-UHFFFAOYSA-N 303.671 3.054 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)on1 44972500 NMIFJIBDRMMQKG-SNVBAGLBSA-N 321.406 3.327 0 40 DGAB Cc1nnc2sc(-c3cc(Cl)c(N)c(Cl)c3)nn12 45920134 ZOJAXCLBJUIFDF-UHFFFAOYSA-N 300.174 3.050 0 40 DGAB C[C@@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)C1CC1 48230141 QITKONQDIDXZIP-SNVBAGLBSA-N 304.390 3.406 0 40 DGAB Cc1csc(CNC(=O)NC2CCC(C(F)(F)F)CC2)n1 48350094 HGMMZBFGEHCFTC-UHFFFAOYSA-N 321.368 3.372 0 40 DGAB COc1ccccc1CN(Cc1nc(CC(C)C)no1)C1CC1 52165770 HXFJDWASFPIBOY-UHFFFAOYSA-N 315.417 3.441 0 40 DGAB Cc1ccc(-c2nc(C(=O)OCCn3cccn3)cs2)cc1 52766084 ZDSQQMKIZINCPC-UHFFFAOYSA-N 313.382 3.172 0 40 DGAB O=c1cc(CN2CCC[C@@H]2C2CCCCC2)nc2sccn12 53211312 UWNGVNFPRYCMLF-OAHLLOKOSA-N 317.458 3.301 0 40 DGAB C[C@H]1CN(C(=O)CNc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 57525210 RFTASZSODBXHOO-AOOOYVTPSA-N 317.216 3.041 0 40 DGAB CC(CNC(=O)c1cnsn1)(c1ccccc1)c1ccccc1 58345385 CDGZMKDHZURALJ-UHFFFAOYSA-N 323.421 3.274 0 40 DGAB Cc1ncc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)s1 58413090 WMKBAXGGMPPRMN-UHFFFAOYSA-N 324.409 3.257 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCCCN1CCCC1 61238620 PCWMKNNTPNBZSP-UHFFFAOYSA-N 322.452 3.498 0 40 DGAB Cc1c(Cl)c(CN2CC[C@H](C(=O)O)C2)nc2ccccc12 62133836 DYEJHZFXAAOZHO-NSHDSACASA-N 304.777 3.103 0 40 DGAB C[C@@H](O)c1ccc(CNC(=O)c2nccc3ccccc23)cc1 65474832 HPWZGAGLIZZFPX-CYBMUJFWSA-N 306.365 3.218 0 40 DGAB CCc1noc(CNc2ccc(C(=O)N[C@H](C)CC)cc2C)n1 65566485 WSUNGHRLFRJBBV-GFCCVEGCSA-N 316.405 3.081 0 40 DGAB CCN(C(=O)Nc1ccccc1CC(=O)N(C)C)[C@@H](C)C(C)C 67679753 FKEWBAHGNUJSMN-AWEZNQCLSA-N 319.449 3.216 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN1CCC2(CCCCC2)CC1 69451951 FKRHKWAPXJJUCW-UHFFFAOYSA-N 304.438 3.011 0 40 DGAB O=C(C[C@H]1CCCO1)NCc1ccc(Oc2ccccc2)nc1 69452672 ZFDDVAMJZYVKLK-MRXNPFEDSA-N 312.369 3.059 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)N1CCOC(C)(C)C1 69484516 GXDTVHAKVMNUFW-UHFFFAOYSA-N 316.426 3.370 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)c2ccc(=O)[nH]n2)c(C)c1 69615766 XMDKEIKEVFHQGJ-NSHDSACASA-N 317.414 3.221 0 40 DGAB O=C(CCSc1ccccc1)NC[C@@H](O)C1CCCCC1 70636661 VOLNTWQERWSLFX-MRXNPFEDSA-N 307.459 3.226 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)c(F)c2)[C@@H](N)C1 71790653 SHDNLRJVAIEXBN-RISCZKNCSA-N 312.360 3.017 0 40 DGAB Cc1ccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)cc1 72228950 QUACHQPZLUWQJH-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CCN(CC)CCNc1nc(C(C)C)nc2c(C)nn(CC)c12 72238352 FMHJRVSXTGFHHT-UHFFFAOYSA-N 318.469 3.032 0 40 DGAB Cc1ccc(C(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cn1 74447897 NSJVMQCSWOCDAF-IBGZPJMESA-N 323.440 3.127 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1nc2c(s1)COCC2 75443500 UFCFGPARDJPMDI-UHFFFAOYSA-N 324.402 3.086 0 40 DGAB Cn1cc(CCC(=O)N(Cc2ccoc2)C2CCCCC2)cn1 76021924 OYKVKVUHHUQLLJ-UHFFFAOYSA-N 315.417 3.307 0 40 DGAB O=C1CCCc2ccc(NS(=O)(=O)c3cccs3)cc21 79020521 TVBWMNWMLPQFGK-UHFFFAOYSA-N 307.396 3.068 0 40 DGAB OCCCOC1CCN(Cc2ccc(Cl)cc2Cl)CC1 79093055 UKALDUZIURQVIT-UHFFFAOYSA-N 318.244 3.357 0 40 DGAB CCOC(=O)[C@H](C)Nc1ccc(OCc2cccnc2)cc1 79355015 SAQHMAAUXGXRNE-ZDUSSCGKSA-N 300.358 3.024 0 40 DGAB CN(C)c1ncccc1N(C)C(=O)[C@H]1C[C@@]12CCc1ccccc12 79726327 JWDDUXAUORVTHG-OXQOHEQNSA-N 321.424 3.015 0 40 DGAB CC(=O)Nc1cc(C(=O)O[C@H](C)c2nccs2)ccc1F 80353951 TXSJBYAPPUSCMY-MRVPVSSYSA-N 308.334 3.159 0 40 DGAB c1ccc([C@H]2OCC[C@@H]2CNCc2cccc3cn[nH]c23)cc1 84047649 FQNSYTBUHHEXEI-IEBWSBKVSA-N 307.397 3.430 0 40 DGAB O=C(NC1CCOCC1)N[C@@H](c1cccs1)C1CCCC1 84436925 OHIOELXFMIXTEG-OAHLLOKOSA-N 308.447 3.458 0 40 DGAB O=C(NCc1ccc([C@@H](O)c2cccs2)s1)c1ccco1 85562164 QDRHKSNXVXSUOF-AWEZNQCLSA-N 319.407 3.414 0 40 DGAB CC(=O)c1ccc(NC(=O)c2ccc(-n3cnnc3)cc2)cc1C 89944215 YEKNHGRLJBMCJO-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)NC[C@H](C)c2ccncc2)s1 95409047 ZEYIJHXYAOHUKU-NSHDSACASA-N 318.446 3.185 0 40 DGAB COc1ccsc1C(=O)NC[C@H](C[C@H](C)O)c1ccccc1 95413160 FUIKVDZWRKIKDC-JSGCOSHPSA-N 319.426 3.041 0 40 DGAB O=C(COc1ccccc1O)NCc1csc2ccccc12 95430551 OGLBVEFMHOEUKM-UHFFFAOYSA-N 313.378 3.302 0 40 DGAB CCN(Cc1cccs1)C(=O)[C@@H](C)[C@@H](N)c1ccccc1 95965553 UMTRBIKZTWMGPA-XJKSGUPXSA-N 302.443 3.433 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@@H]1OCC[C@H]1C 95971494 HYXRWUMLLLYDMD-ZWNOBZJWSA-N 317.307 3.016 0 40 DGAB CC1(c2ccccc2)CCC(NC[C@]2(CCO)CCOC2)CC1 95982194 TUTMDZRAIGNLQR-MHJFOBGBSA-N 317.473 3.266 0 40 DGAB CN(C)C(=O)COc1ccccc1CNc1ccc(F)c(F)c1 95988523 PGTIZDICPGPCDA-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB CCc1nn(C)cc1CN1CCN(C)c2ccc(Cl)cc21 96003703 LQJMMLGFRICHSZ-UHFFFAOYSA-N 304.825 3.092 0 40 DGAB Cc1cc(C)n(CC(=O)N(CC(F)(F)F)c2ccccc2)n1 96409892 FBLUAAVYQZEHPS-UHFFFAOYSA-N 311.307 3.095 0 40 DGAB Cc1cc([C@H](C)NC(=O)Nc2nc3c(s2)COCC3)c(C)o1 96410702 MGBZQBPJGPSCOF-VIFPVBQESA-N 321.402 3.308 0 40 DGAB Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NC[C@@H]1CCOC1 96436214 QUDYKWLVEDFTBX-CABCVRRESA-N 304.434 3.218 0 40 DGAB Cn1cccc1[C@@H]1CCCCN1C(=O)c1ccc(Cl)cn1 96445083 ZSVDSACGQDPYQG-HNNXBMFYSA-N 303.793 3.441 0 40 DGAB O=C(NCCSc1ccccc1)N[C@H]1CCO[C@@H](C2CC2)C1 97378892 BNABOZKYFWRCHK-GOEBONIOSA-N 320.458 3.036 0 40 DGAB O=C([C@H]1C[C@@H]2CC[C@@H]1C2)N1CCN(c2ccc(Cl)cc2)CC1 101384666 UQYYTQBIBUHQGU-CPUCHLNUSA-N 318.848 3.425 0 40 DGAB C[C@@H](NC(=O)Nc1ccc2c(c1)OCO2)[C@@H]1C[C@H]2CC[C@H]1C2 104560917 HOXQYWDWZORVRA-UHXUPSOCSA-N 302.374 3.362 0 40 DGAB CN(Cc1ccccc1)C(=O)CCc1ccc2c(c1)OCCO2 193631628 AWPQOVGKHJZLTK-UHFFFAOYSA-N 311.381 3.049 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1 216423777 KHKGVSSBFXUAIU-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB COc1ccc(C(=O)NCCOc2ccccc2Cl)cc1C 223133952 QVHRTJLACNSKRY-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB Cc1cc(C)cc(NC(=O)Cn2ccc(=O)c3cc(F)ccc32)c1 225749397 BLLIWISNKDCKDO-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 242688261 VMLLEPXLBJUKPD-DYVFJYSZSA-N 305.374 3.001 0 40 DGAB Cc1noc(-c2cncnc2Nc2ccc(F)cc2Cl)n1 253399799 JYZNQNOGRHUXDF-UHFFFAOYSA-N 305.700 3.371 0 40 DGAB O=C(c1ccccc1Cl)N1CCC[C@H](Cc2ccn[nH]2)C1 257228793 FVGAOJLWKWMOBA-GFCCVEGCSA-N 303.793 3.158 0 40 DGAB CCC(CC)C(=O)N1C[C@H]2CC[C@@H](Oc3cccnc3)[C@H]2C1 257272254 NBRCILMULMDFRM-HYVNUMGLSA-N 302.418 3.134 0 40 DGAB Cc1ccc(C2(c3noc([C@@H]4CCCO4)n3)CCOCC2)cc1 289028574 GDRFOTLIBLHBSK-HNNXBMFYSA-N 314.385 3.326 0 40 DGAB CC(C)[C@@H](C(=O)NCCc1cc(F)cc(F)c1)c1cccnc1 390835653 UDHSUIDTOBTBOC-QGZVFWFLSA-N 318.367 3.458 0 40 DGAB COCCNC(=O)c1ccc(CSCc2ccccc2)cc1 408772984 OQEYBHHDSLCQKI-UHFFFAOYSA-N 315.438 3.496 0 40 DGAB O=C(c1nc2cccnc2s1)N1CCC[C@@H]1c1ccccn1 549102376 KVQZQKWGALQHGD-CYBMUJFWSA-N 310.382 3.064 0 40 DGAB COc1ccccc1CC(=O)NCc1cncc(-c2ccco2)c1 575618945 RWMKKQCOIDTQNP-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB C[C@@H]1Cc2c(Br)ccc(Br)c2CN1 1082890321 PZYJPCAPHOEZFD-ZCFIWIBFSA-N 305.013 3.246 0 40 DGAB CC(=O)N1CC(C)(C)[C@@H]1c1nccn1COCC[Si](C)(C)C 1558563106 CTKHSYVQLGWTEI-AWEZNQCLSA-N 323.513 3.125 0 40 DGAB Cc1nc(CN2CCC[C@H](O)[C@@H]2Cc2ccccc2)cs1 1615190180 CDNIPOZZNZLLKX-IRXDYDNUSA-N 302.443 3.020 0 40 DGAB Fc1ccc(CN2CCC[C@H](c3nc(C4CC4)no3)C2)cc1 1889108890 LFMNBKCHAPNKGN-AWEZNQCLSA-N 301.365 3.466 0 40 DGAB COc1ccccc1-n1cnc2sc3c(c2c1=O)CCCC3 503830 RKAVADZLNICDGW-UHFFFAOYSA-N 312.394 3.335 0 40 DGAB CC(=O)Nc1cccc(OCC(=O)Nc2c(C)cccc2C)c1 575744 ZOJFHLBTBOUMQC-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB O[C@H](CNCCc1ccccc1)COc1cccc2ccccc12 1688569 WGWCQQJDGPKRGN-LJQANCHMSA-N 321.420 3.412 0 40 DGAB CN(CCO)c1nc(-c2ccccc2)c2cc(Cl)ccc2n1 2710093 CEZFASPVOPOLHR-UHFFFAOYSA-N 313.788 3.379 0 40 DGAB Fc1ccccc1N1CCN(c2cnc3ccccc3n2)CC1 3116832 VXVGANJCDDDWQK-UHFFFAOYSA-N 308.360 3.096 0 40 DGAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1cccc(Cl)c1 3311835 QRZMRAYWOMVOEQ-JTQLQIEISA-N 319.744 3.230 0 40 DGAB Cc1cccc2c1N(CCOc1ccccc1Cl)C(=O)C2=O 3647799 OBUMSMQEKJJUMJ-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(Cl)s1 4135073 GFDAIJMZWHSFSW-UHFFFAOYSA-N 320.757 3.499 0 40 DGAB Cc1cc(O)c(Cc2cc(Cl)c3cccnc3c2O)c(=O)o1 4140129 XFLYFPDILXHGSK-UHFFFAOYSA-N 317.728 3.152 0 40 DGAB Cc1cccc(C(=O)O)c1C[C@@H]1NCC[C@H]2c3ccccc3N[C@@H]12 4830733 JZMNBICLWOBJHN-ZOCIIQOWSA-N 322.408 3.176 0 40 DGAB in-vitro CCc1ccc(Nc2nnc(SCC(=O)N(C)C)s2)cc1 6319624 XBPAUBRXYYTJKE-UHFFFAOYSA-N 322.459 3.024 0 40 DGAB CCOCCCNC(=O)CSCc1ccccc1Cl 6464158 WDAOZEQHBPFYGM-UHFFFAOYSA-N 301.839 3.116 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c1 7057352 YEDBEJSVGXHPAI-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CCN1CCN(c2ccccc2NC(=O)c2ccccc2)CC1 7107275 KMRMXZVRKZQYRB-UHFFFAOYSA-N 309.413 3.081 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CSCc1ccc2c(c1)OCO2 7149648 VIXCORGCIXLJID-TZMCWYRMSA-N 321.442 3.343 0 40 DGAB C[C@@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1F 7374982 LYJHKJKWEWOHAW-ZDUSSCGKSA-N 307.390 3.125 0 40 DGAB COC(=O)CSc1nnc(Nc2cccc(Cl)c2)s1 7578381 ZRLDWRZQYXGWBC-UHFFFAOYSA-N 315.807 3.200 0 40 DGAB CCOc1cc(CNC[C@H](C)O)ccc1OCc1cccs1 8254748 UDNLOXJGNCHVNV-ZDUSSCGKSA-N 321.442 3.196 0 40 DGAB CC(C)Nc1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1 8296943 FUGPZZGSSHLDBK-UHFFFAOYSA-N 313.426 3.466 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(C)cc1 8478290 CBFHRLUTKJGZST-INIZCTEOSA-N 313.397 3.477 0 40 DGAB Cc1cc(C)n(CCc2nc(-c3ccc(Cl)cc3)no2)n1 9530440 PXEVUKSBYKLQTI-UHFFFAOYSA-N 302.765 3.446 0 40 DGAB C[C@H](NC(=O)CNC(=O)c1ccco1)c1ccc2ccccc2c1 9690213 OWVRLBWVJPQPBR-ZDUSSCGKSA-N 322.364 3.040 0 40 DGAB CC(C)(C)SCCNS(=O)(=O)Cc1ccc(Cl)cc1 9694940 KFMRNEWDEKNJEK-UHFFFAOYSA-N 321.895 3.291 0 40 DGAB CSc1cccc(NC(=O)C(=O)NCCC2=CCCCC2)c1 10326383 OZDJEEHFZUZRBV-UHFFFAOYSA-N 318.442 3.354 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1cccc(C)c1 12680859 IISJGHAMKYBXOP-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CCC(CC)NC(=O)c1cc(C)nc2c1nc1n2CCCCC1 12760760 DNUKXMCUGQLIPR-UHFFFAOYSA-N 314.433 3.385 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)NC2CCCCC2)cc1F 12852376 ZNEVBYGQYGKCLZ-UHFFFAOYSA-N 321.396 3.095 0 40 DGAB Cc1sc2ncnc(NCCc3nnc4ccccn34)c2c1C 12896011 AJRAJWKINPUEDP-UHFFFAOYSA-N 324.413 3.005 0 40 DGAB Cc1ccc(NC(=O)C[C@@H](C(=O)O)c2ccccc2)cc1F 13253766 LWLAEWRMCMXBCV-CQSZACIVSA-N 301.317 3.331 0 40 DGAB O=C(Nc1ccccn1)C1CCN(c2nc3ccccc3o2)CC1 14304604 AXWPYHDEHZNZMM-UHFFFAOYSA-N 322.368 3.078 0 40 DGAB O=C(c1ccc(Cl)cc1)c1ccc(O[C@@H]2CCNC2)cc1 14632233 KOFXPJYSNZZLHH-MRXNPFEDSA-N 301.773 3.312 0 40 DGAB in-vitro O=S(=O)(NCc1ccc(C(F)(F)F)cc1)c1cccs1 16737266 FOCYBNQYLJRNJI-UHFFFAOYSA-N 321.345 3.245 0 40 DGAB O=c1nc(Nc2cccc(Cl)c2)[nH]nc1Cc1ccccc1 16777358 XVFSUHXHOTTWEO-UHFFFAOYSA-N 312.760 3.153 0 40 DGAB C[C@@H](Oc1ccccc1)c1nn2c(=O)c3ccccc3nc2s1 17056500 AWPXXMAIVZIGKS-LLVKDONJSA-N 323.377 3.444 0 40 DGAB CCn1nc(C)c(-c2cncn2CCCN2CCCCC2)c1C 19719549 GJVXXDRAJPYRSV-UHFFFAOYSA-N 315.465 3.259 0 40 DGAB CC1CCN(Cc2ccc(C(=O)NCc3ccccn3)cc2)CC1 20493017 MOGVGBWWSLLHBS-UHFFFAOYSA-N 323.440 3.244 0 40 DGAB CC[C@@H](Oc1cccc(Cl)c1)C(=O)NCc1ccncc1 22532156 KUUCIOABUMOONK-OAHLLOKOSA-N 304.777 3.209 0 40 DGAB Cc1cc(C)c([C@H](C)NC(=O)C(=O)NCc2ccccc2)cc1C 22540504 SYWJWTYFSYVLTC-INIZCTEOSA-N 324.424 3.105 0 40 DGAB COCCNC(=O)/C=C/c1cccc(OCc2ccccc2)c1 24989717 GSHQRZPRCJYIJF-ZHACJKMWSA-N 311.381 3.041 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)Cc1ccc(F)cc1 25047642 LAFFHVMLYRKGEA-GFCCVEGCSA-N 323.389 3.015 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 25716620 YHJXMPQZBBSJGM-GDBMZVCRSA-N 313.397 3.478 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1 28224031 XYQUBGZCQDFHOX-SNVBAGLBSA-N 308.179 3.154 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3csc(C)n3)no2)cc1 32624405 BQHVIHDHFJIOCE-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)Cc3cccs3)C2)cc1 38935483 TWIRHNGSBSVAKR-AWEZNQCLSA-N 301.411 3.315 0 40 DGAB Cc1ccc(N[C@H](C(=O)N2CCOCC2)c2ccccc2)c(C)c1 39983747 VQIYFSSETIXJGZ-IBGZPJMESA-N 324.424 3.315 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccccc1C)c1cccs1 45865476 BZFUJNFUTCTPRB-ZDUSSCGKSA-N 303.383 3.091 0 40 DGAB CCc1ccc(CNC(=O)NC[C@@H](c2ccco2)N(C)C)s1 47792534 SVULNYSTPMUYLS-AWEZNQCLSA-N 321.446 3.006 0 40 DGAB O=C1c2ccccc2N[C@H](c2cscn2)N1Cc1cccnc1 57771306 VLJKUMBWAUOVIU-INIZCTEOSA-N 322.393 3.305 0 40 DGAB O=C(c1cnccn1)N1CCC[C@H]1Cc1cccc2ccccc12 58227739 RUVBRRVWOXBTLF-KRWDZBQOSA-N 317.392 3.477 0 40 DGAB O=C(Cc1cccs1)NCCc1ccc(OC(F)F)cc1 58245518 FPGPVMPAFJDTNW-UHFFFAOYSA-N 311.353 3.251 0 40 DGAB COCCN(Cc1ccccn1)C(=O)c1oc2ccccc2c1C 58304590 PEQSQMHHBIZVED-UHFFFAOYSA-N 324.380 3.425 0 40 DGAB Cc1cc(C)cc(NCCc2n[nH]c(-c3cccc(N)c3)n2)c1 62719038 ZOIKIXVNRRQFIQ-UHFFFAOYSA-N 307.401 3.325 0 40 DGAB COc1ccc2c(c1)CN(c1nccc(C(F)(F)F)n1)CC2 65574970 MWLLYESDKABVGH-UHFFFAOYSA-N 309.291 3.067 0 40 DGAB O=C(NOCc1cc(F)ccc1Br)C1CCCC1 67449124 JZDLSKMBHNLMCW-UHFFFAOYSA-N 316.170 3.326 0 40 DGAB CCc1c(C(=O)N2CCC[C@@H]2Cn2cccn2)[nH]c2ccccc12 67655046 MFJZLVSTOPHPKE-CQSZACIVSA-N 322.412 3.232 0 40 DGAB COc1ccc(F)cc1C(=O)C(=O)N(C)[C@@H]1CCCC[C@@H]1C 69535228 BFNALIXLPLDVEY-SMDDNHRTSA-N 307.365 3.054 0 40 DGAB CCOCCCC(=O)n1ncc(-c2cccc(Cl)c2)c1N 71185202 GOYYSYIZZZDSPN-UHFFFAOYSA-N 307.781 3.243 0 40 DGAB Cc1cc(=O)[nH]cc1-c1ccc(C(=O)N2CCCCC2)s1 72243450 RZQTXVCECBLDRE-UHFFFAOYSA-N 302.399 3.038 0 40 DGAB Cc1ccnc(-c2ccc(NC(=O)Nc3cccnc3)cc2)n1 72286275 SKGKCUHEOMNZQC-UHFFFAOYSA-N 305.341 3.491 0 40 DGAB O=C(O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCCNC1 72391786 GPHZCCSRUQJSSL-QGZVFWFLSA-N 301.411 3.412 0 40 DGAB C[C@@H]1CN(Cc2c(C(C)(C)C)[nH]c3ncccc23)C[C@@H](C)O1 72393638 LSQWDHBMIYNWHR-CHWSQXEVSA-N 301.434 3.470 0 40 DGAB C[C@](O)(CNC(=O)c1cc2ccccc2o1)c1cccs1 75155854 VXUWDNMTZOLYRR-INIZCTEOSA-N 301.367 3.132 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)CCc3ccsc3)C2)n[nH]1 78902068 RGKQFQQCPJWXRI-AWEZNQCLSA-N 303.431 3.118 0 40 DGAB COc1ccc(NC(=O)N2CCC[C@@H]2C(C)C)cc1NC(C)=O 79085263 KYQKVQPMQJTKKZ-OAHLLOKOSA-N 319.405 3.306 0 40 DGAB COc1ccc(CCCC(=O)NCc2c(C)noc2C)cc1F 84532942 KYKVPBCHTMXGSU-UHFFFAOYSA-N 320.364 3.078 0 40 DGAB CC[C@H](Sc1nnnn1C[C@@H]1CCCO1)c1ccccc1 84734718 NNYKVZOJDVMCQT-KBPBESRZSA-N 304.419 3.096 0 40 DGAB CC(C)(C)c1cnc(CNc2cccc(Cn3cnnc3)c2)o1 85280475 MKZZLJHRYRFCJP-UHFFFAOYSA-N 311.389 3.224 0 40 DGAB Nc1ncccc1-c1nc(-c2ccccc2C(F)(F)F)no1 89263312 DRSSQSQJQCMKNB-UHFFFAOYSA-N 306.247 3.400 0 40 DGAB Cc1cc(C(=O)N(C)[C@@H](c2ccccc2)C(F)(F)F)ncn1 89600817 UVDZUYBEWGMRMJ-ZDUSSCGKSA-N 309.291 3.161 0 40 DGAB O=C(CCc1cccc(F)c1F)N1CC[C@]2(O)CCCC[C@H]2C1 89768153 QTKIWXHHMBBEMF-KBXCAEBGSA-N 323.383 3.051 0 40 DGAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)Cn1cc(C2CC2)nn1 89905452 HQNRWLABLNNTQQ-AWEZNQCLSA-N 324.428 3.155 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@H]1NCc1cc2cc(F)ccc2o1 89948851 JJAHZZOMSOGPDC-CXAGYDPISA-N 318.392 3.309 0 40 DGAB COC(=O)c1ccc(CSc2ccc(N)cc2Cl)nc1 94757145 LSWNLFANINFDLI-UHFFFAOYSA-N 308.790 3.396 0 40 DGAB C[C@@H](NCc1ccnn1C)c1cc(Br)ccc1F 95420181 QPMYNJSTEKTPIC-SECBINFHSA-N 312.186 3.173 0 40 DGAB O=C(Cc1cccnc1)NC1(c2ccc(F)cc2F)CCC1 95447552 BOTVPBBMIARSBY-UHFFFAOYSA-N 302.324 3.098 0 40 DGAB CC1(C)C[C@H]1C(=O)OC[C@@H]1CCCN(C(=O)c2ccccc2)C1 95973259 PUTQYNCLSDVATP-ZBFHGGJFSA-N 315.413 3.128 0 40 DGAB CCCn1c(C)nnc1CN(C)c1ccc(C)c(N(C)C)c1 95980399 HIIHEGINUYXFTP-UHFFFAOYSA-N 301.438 3.007 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccnn2C2CCCC2)c(C)o1 95988609 PKPPMRQSFRTWOW-UHFFFAOYSA-N 309.391 3.009 0 40 DGAB CCOc1nnc(CN2CCSC[C@@H]2c2ccccc2)s1 96406623 KMCHZQZXNOQCGQ-CYBMUJFWSA-N 321.471 3.227 0 40 DGAB CO[C@H](C)CCC(=O)NCc1cc(F)cc(Br)c1 96501004 QJEKGSUPCLRELC-SECBINFHSA-N 318.186 3.020 0 40 DGAB Cc1c([C@@H](C)Nc2ccc(N(C)C)cn2)cnn1-c1ccccn1 97037995 TWXUJLAOEUAHFT-CYBMUJFWSA-N 322.416 3.210 0 40 DGAB CC(C)(C)c1n[nH]cc1CNC[C@@H]1CCN(c2ccccc2)C1 97159136 HTOCDZFKHHTWAH-HNNXBMFYSA-N 312.461 3.323 0 40 DGAB Cc1cccc(NC(=O)N[C@@H](C)C[C@@H](O)c2cccs2)n1 97378556 XXTBDPPFHJLXQM-NWDGAFQWSA-N 305.403 3.085 0 40 DGAB O=C([C@H]1C[C@H]2C=C[C@H]1C2)N(Cc1cccnc1)Cc1ccco1 102188202 GNEMWIXQHFZTRQ-ZVZYQTTQSA-N 308.381 3.416 0 40 DGAB C[C@@H](NC(=O)c1cc(O)nc2ccccc12)[C@H]1C[C@@H]2CC[C@@H]1C2 102999164 IQZIOBLUWYVRBK-RGCMKSIDSA-N 310.397 3.495 0 40 DGAB CCOC(=O)[C@H](CN)[C@@]1(N(CC)CC)C[C@@H]2CC[C@]1(C)C2(C)C 103635804 OCKDPBVSIVVMTJ-SAKMYQHLSA-N 324.509 3.051 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2ccccc2N)C1 221962213 WREQTXNTOLNBPK-ZDUSSCGKSA-N 305.422 3.010 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccccc3F)=NO2)C1 222277708 VOZOCYBNYWMPJZ-FHSNZYRGSA-N 318.392 3.213 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 222898915 CYKQWQQVRDUPBO-CABCVRRESA-N 300.431 3.101 0 40 DGAB O=C(COc1cccc2c1CCCC2)NCc1ccc(F)cc1 224153393 QUTOKBBQUUVUFU-UHFFFAOYSA-N 313.372 3.400 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2C)cc1 224577264 MRHWYRLPONMBHZ-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1cccs1 225134425 NTPDEJHUEJBWBQ-UHFFFAOYSA-N 303.355 3.242 0 40 DGAB C[C@](O)(CNC(=O)c1cc2ccccc2s1)c1ccco1 225621795 AYSOZHYAKLCLLI-INIZCTEOSA-N 301.367 3.132 0 40 DGAB CCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cn1 225888987 UUPQBXRUSMFYSL-CXAGYDPISA-N 306.406 3.404 0 40 DGAB CC(C)[C@H](NC(=O)N1CCS[C@H](C)[C@H]1C)c1ccncc1 245358605 ZSUPHJNTDZEIKH-NFAWXSAZSA-N 307.463 3.314 0 40 DGAB O=C(NC[C@@H]1CSc2ccccc21)c1noc2c1CCCC2 518315055 OVEYTBUGZAJIQR-LLVKDONJSA-N 314.410 3.173 0 40 DGAB Clc1cccc(-c2cc(N3CCn4nccc4C3)ncn2)c1 1559245196 RXAFWUGJCVZZKE-UHFFFAOYSA-N 311.776 3.014 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccccc2OC)c(OC)c1 147274 OHDWLOPEJACKPB-PKNBQFBNSA-N 313.353 3.364 0 40 DGAB CC[C@H](C)[C@H](Nc1ncnc2sc3c(c12)CCCC3)C(=O)O 237071 KGIKKKJCUWULNJ-ZANVPECISA-N 319.430 3.481 0 40 DGAB Cc1ccc(C(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)cc1 248882 VMYTXKPFGCFAHE-AWEZNQCLSA-N 314.307 3.104 0 40 DGAB Cc1ccc([C@H]2SCCN2S(=O)(=O)c2ccccc2)cc1 520891 RGPFHKQBGFDMSZ-MRXNPFEDSA-N 319.451 3.431 0 40 DGAB COCC(=O)Nc1nnc(-c2ccc(C(C)(C)C)cc2)s1 1356152 HXEITSCBQYERQP-UHFFFAOYSA-N 305.403 3.088 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Oc1c(C)cccc1C 2182579 HQTQYWIAHFLJKE-UHFFFAOYSA-N 306.383 3.388 0 40 DGAB CCCOc1ccc(OCCSc2nnc(N)s2)cc1 3340176 LRRRYXZLPAIBPP-UHFFFAOYSA-N 311.432 3.080 0 40 DGAB Cc1ccc([C@@H]2SC[C@@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 4085510 LTCDNRNJGSQRKJ-STQMWFEESA-N 323.414 3.431 0 40 DGAB CCC(=O)Nc1ncc(-c2ccc(Br)cc2)n1C 4678330 BNOUSXAPZYBDJU-UHFFFAOYSA-N 308.179 3.198 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccco1 4700458 TYACPVZUDVFEEX-CQSZACIVSA-N 308.422 3.009 0 40 DGAB CCSc1ccccc1C(=O)Nc1sccc1C(=O)NC 5240809 PSLCILXECGQYAA-UHFFFAOYSA-N 320.439 3.472 0 40 DGAB O=C(OC[C@@H]1CCCN2CCCC[C@H]12)c1cc(F)ccc1F 5511660 XJOIBUJGSSKITJ-BLLLJJGKSA-N 309.356 3.386 0 40 DGAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1cccc(F)c1 6115028 NATAOHGBWGNJLQ-UHFFFAOYSA-N 312.300 3.103 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2C(=O)NC(C)C)cc1 6306676 GUWLDZQFGAFVLQ-UHFFFAOYSA-N 312.369 3.086 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2cc(C)n(C)c2C)c1 8051908 OFANSTUZKTZPPT-UHFFFAOYSA-N 300.358 3.071 0 40 DGAB CCc1n[nH]c(=S)n1NCc1cccc(Br)c1 8339326 FVADNCQAWLKVBB-UHFFFAOYSA-N 313.224 3.009 0 40 DGAB CN1CCC2(CC1)Nc1ccccc1C(=O)N2Cc1ccccc1 8394156 FQHYKXOCXNPSAK-UHFFFAOYSA-N 321.424 3.176 0 40 DGAB CC(=O)Nc1ccccc1OCc1nc(-c2ccccc2)no1 8537739 WZLXEPOCJPWZOI-UHFFFAOYSA-N 309.325 3.274 0 40 DGAB Nc1ccc(N2CCN(Cc3ccccc3)CC2)c(Cl)c1 8701195 GASJCBVHHUXXCQ-UHFFFAOYSA-N 301.821 3.244 0 40 DGAB CCOC(=O)CCC(=O)Nc1nc(-c2cccc(F)c2)cs1 8881185 UOGHMWWGNOVTMP-UHFFFAOYSA-N 322.361 3.231 0 40 DGAB Cc1csc2nc(CNc3cccc(Cl)c3F)cc(=O)n12 11624236 OLLDWEZQSNBCKH-UHFFFAOYSA-N 323.780 3.469 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3)cc2N(C)C1=O 12082786 DICKQNOOHDFCRA-RUNBWSAHSA-N 322.364 3.082 0 40 DGAB Cc1cc([C@@H]2CCCCCN2C(=O)c2c(C)noc2C)on1 12154141 OXRUJZKPNGRGTF-ZDUSSCGKSA-N 303.362 3.345 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)c1ccc2c(c1)OCCO2 12375055 GIPROITVYCCDPI-UHFFFAOYSA-N 310.349 3.208 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2ccccn2)ccc1OC(F)F 12635127 YKYDUSBNFDBTGY-JTQLQIEISA-N 322.311 3.183 0 40 DGAB CC(C)N(Cc1ccccc1)CN1C(=O)c2ccccc2C1=O 12941462 NQDTWAIAANHOTR-UHFFFAOYSA-N 308.381 3.151 0 40 DGAB CCOc1ccccc1O[C@@H](C(=O)NC1CC1)c1ccccc1 12985739 LKOLSXVRZBVTFV-GOSISDBHSA-N 311.381 3.484 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2ccc(F)cc2F)c(O)c1 18014573 CKNZXFTYQUFNJA-SECBINFHSA-N 307.296 3.170 0 40 DGAB COc1ccc(NC(=O)CC(C)C)cc1-c1ccc(CO)o1 20136844 ISXBRSGSDCYQAT-UHFFFAOYSA-N 303.358 3.432 0 40 DGAB O=C(Nc1cc(=O)oc2ccccc12)C(Cl)(Cl)Cl 20729448 OXKDJHKLYHMZHG-UHFFFAOYSA-N 306.532 3.102 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2ccc(C)nc2)c1 22472095 CAYJJIDURLUXIW-UHFFFAOYSA-N 311.385 3.124 0 40 DGAB O=C(Nc1cccnc1-n1cccn1)c1ccc(Cl)s1 23171083 QDIWGKXNMKZZJR-UHFFFAOYSA-N 304.762 3.235 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1cc2c(s1)CCCCC2 24476571 ZULQUEGIRYUUDZ-UHFFFAOYSA-N 303.431 3.023 0 40 DGAB Cc1nc(NC(=O)[C@@H](C)Nc2ccc(F)c(F)c2)sc1C 32579469 XRVOWTZMHLIOTE-MRVPVSSYSA-N 311.357 3.477 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CN1CCCc2cccc(F)c21 32906854 VWKLUCKOHOGBMQ-BBRMVZONSA-N 304.409 3.273 0 40 DGAB Nc1ncc(NC(=O)OCc2ccccc2)cc1Br 33414761 GLCAKGFYVNXENH-UHFFFAOYSA-N 322.162 3.175 0 40 DGAB O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@@H]2CCCC[C@@H]21 35154665 YSGCNQFVYUXBOV-AAEUAGOBSA-N 314.838 3.078 0 40 DGAB C[C@H]1CCCN(CCCCNC(=O)/C=C/c2ccccc2)C1 40108163 NNVJUKVKNOTNSW-FLVLSHQESA-N 300.446 3.328 0 40 DGAB Cc1cc(C(=O)N(C)Cc2cc(Br)cs2)on1 40541081 PGUBTTWCEFXLTM-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSC1CCCC1 46450915 SEKHODHBZYWZRO-LBPRGKRZSA-N 311.422 3.385 0 40 DGAB CSCc1ccc(C(=O)N(C[C@@H]2CCOC2)C2CC2)cc1 46936682 HCIULUVBGIZXAT-AWEZNQCLSA-N 305.443 3.191 0 40 DGAB COc1cccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)c1 47419663 DCUIHURVAYSQFF-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB CCOc1ccccc1C(=O)N1CCC(CN(CC)CC)CC1 49076341 ODQFXDSTKHPHNX-UHFFFAOYSA-N 318.461 3.279 0 40 DGAB Cn1c([C@H]2CCN(C(=O)C3CCCCC3)C2)nc2ccccc21 49171235 MNWXYHPRWMLMJI-HNNXBMFYSA-N 311.429 3.470 0 40 DGAB biogenic,in-vitro O=C(c1cn(-c2ccc(C(F)(F)F)cc2)nn1)C(F)(F)F 53647942 DQHDWTANVZYRND-UHFFFAOYSA-N 309.169 3.031 0 40 DGAB Oc1nncc(N2CCC(COc3ccccc3)CC2)c1Cl 54981380 RNKXJNSYDKWWQA-UHFFFAOYSA-N 319.792 3.131 0 40 DGAB CCc1ccc(C(=O)Nc2ccc3nc(NN)sc3c2)cc1 57351207 ILQDEAJQJWPUMG-UHFFFAOYSA-N 312.398 3.397 0 40 DGAB CCC[C@H]1CCCN(Cc2cc(=O)n3c(C)csc3n2)CC1 57909415 VPBRHUYYQNRLHC-AWEZNQCLSA-N 319.474 3.467 0 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COc1ccc([C@@H](CC(C)C)NC(=O)C2CCN(C)CC2)cc1 78578651 VCBGIVLLQXDAFE-GOSISDBHSA-N 318.461 3.240 0 40 DGAB Cc1cc(C)c(NC(=O)N[C@H](CO)c2ccccc2)c(Cl)n1 78988642 PCSZWKCJUFAOAR-CYBMUJFWSA-N 319.792 3.207 0 40 DGAB Cc1sc2ncnc(N3CCC(N4CCCC4)CC3)c2c1C 79936034 JUNJKFLXLGHCQP-UHFFFAOYSA-N 316.474 3.373 0 40 DGAB C[C@H](NC(=O)/C=C/CN(C)C)c1ccc(-c2cccnc2)cc1 81992493 VEWFUUCXZWPFIU-ZKKXHLJNSA-N 309.413 3.044 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NC(=O)C1=CCCCO1 83854352 YXRXNKOHHNJRRW-UHFFFAOYSA-N 314.307 3.404 0 40 DGAB COc1cccc(C[S@@](=O)Cc2cn3cccc(C)c3n2)c1 83944729 FJXOYUPGSXLVCO-QFIPXVFZSA-N 314.410 3.100 0 40 DGAB C[C@H]1CN(CCCNCc2ccc3ccccc3c2)C[C@@H](C)O1 84706299 YIJIIFAXJSPIFU-CALCHBBNSA-N 312.457 3.429 0 40 DGAB CCCC12CN3CC(C)(CN(C1)C3c1c[nH]c3ccccc13)C2=O 85572416 KJTWNVCTQQGZSI-UHFFFAOYSA-N 323.440 3.173 0 40 DGAB biogenic COc1ccccc1[C@@H](N[C@@H]1CCC(=O)N(C)C1)C1CCCC1 91344100 AKEWYXYTFMEQLO-BEFAXECRSA-N 316.445 3.137 0 40 DGAB c1cncc([C@@H]2C[C@@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 95394473 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Fc1cccc(C(F)(F)F)c1-c1noc(C2CCNCC2)n1 199783341 KEIBQZGTIUQQBT-UHFFFAOYSA-N 315.270 3.362 0 40 DGAB Cc1cc(NC(=S)NC2CCCCC2)cc(C(=O)O)c1O 216928220 OXYOMMOJNHFKDL-UHFFFAOYSA-N 308.403 3.018 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)NCC(C)C 224313779 KRJRGEIOFOXPKO-CQSZACIVSA-N 322.424 3.115 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1ncc2ccccn12 225416250 VMDURFJCFWWOML-VNHYZAJKSA-N 317.458 3.367 0 40 DGAB Cc1csc(C(=O)NCC2CCN([C@@H]3CCSC3)CC2)c1 225567353 DDURZXLPHYKYBC-CQSZACIVSA-N 324.515 3.004 0 40 DGAB CC[C@H](C)NC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 227115148 YZTINIZANLIYCZ-JTQLQIEISA-N 311.307 3.419 0 40 DGAB Cc1csc(NC(=O)C2(Cc3ccccc3)CCOCC2)n1 257226169 FJLDXFTWOCPIIS-UHFFFAOYSA-N 316.426 3.430 0 40 DGAB CC(=O)N1CCCC[C@H]1c1cc(C)nc(-c2c(C)noc2C)n1 257287926 PSBNKYQJBAOBAW-HNNXBMFYSA-N 314.389 3.130 0 40 DGAB Cc1cc(C(=O)NCCc2ccc(-c3ccoc3)s2)no1 390831711 UHVSOAAAGNDWHF-UHFFFAOYSA-N 302.355 3.277 0 40 DGAB N#Cc1ccc(CC(=O)NC2(C(F)(F)F)CCCCC2)cc1 390833332 GETCIZQKFJTKEJ-UHFFFAOYSA-N 310.319 3.482 0 40 DGAB CC[C@H](C(=O)N[C@@H](CO)c1cccc(F)c1)c1ccccc1 390834497 ZTXLCIMNEPYUJK-IRXDYDNUSA-N 301.361 3.169 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 408706851 GBCIXSDYYSZORI-YOEHRIQHSA-N 316.445 3.121 0 40 DGAB Oc1cccnc1CN1CCC[C@H](c2nc3ccccc3o2)C1 585084412 WWYNXRBSGHWCGR-ZDUSSCGKSA-N 309.369 3.308 0 40 DGAB O=c1n(Cc2ncc(C3CC3)o2)ccn1-c1ccccc1Cl 585090035 ZHGLWOLSUQDXHY-UHFFFAOYSA-N 315.760 3.206 0 40 DGAB COCC[C@@H]1CN(Cc2ccccc2F)Cc2cccn2C1 585095323 PSILUXCBMJUYOI-OAHLLOKOSA-N 302.393 3.296 0 40 DGAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3ccccc3)C[C@@H]21 585110009 OWCXHUZDONHVBZ-GOEBONIOSA-N 307.397 3.012 0 40 DGAB C[C@@H](CC(=O)NCC(C)(C)n1ccnc1)Cc1cccc(F)c1 585127770 JCVCPVBNSRUOAG-CQSZACIVSA-N 317.408 3.142 0 40 DGAB Cc1ccc(OCC2CCN(c3nc4ccccc4o3)CC2)nn1 1775966276 WFFZYMFOEUOZAA-UHFFFAOYSA-N 324.384 3.222 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)o1)c1ccco1 1888930498 FNENWPMDKQQOEL-SNVBAGLBSA-N 303.339 3.065 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1c1ccc(Br)cc1 66499 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OEAUINXDGBUCOI-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc3nccnc23)cc1C 9074487 TWYPFWJLEOMVAG-UHFFFAOYSA-N 320.400 3.380 0 40 DGAB Oc1ccc(-c2nc3cnccn3c2NC2CCCC2)c(O)c1 12113804 XGPRKXDOILUDAT-UHFFFAOYSA-N 310.357 3.162 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(Br)cc2)nc1 12526912 JYRJZXDKVIZFMX-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB COc1ccccc1NC(=O)C[C@H](C)N[C@H](C)c1ccco1 12796211 GCXFEDYWJNMCGX-QWHCGFSZSA-N 302.374 3.356 0 40 DGAB CC(C)n1ncc2cc(NC(=O)Cc3ccc(F)cc3)cnc21 12936196 NKULUPQPPAROEU-UHFFFAOYSA-N 312.348 3.333 0 40 DGAB COc1cc(C(=O)NCc2nccc3ccccc23)ccc1C 14389854 GXHMGNXWUKJJPN-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB COc1cc2c(cc1[C@@H]1Nc3ccccc3C(=O)N1C)O[C@@H](C)C2 15250772 OCLBNEDXVITZEO-BBATYDOGSA-N 324.380 3.215 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1cccs1 16971469 WVYSILKUFYBMCH-UHFFFAOYSA-N 319.401 3.365 0 40 DGAB CC1CCN(CCCNC(=O)Nc2ccc(F)cc2F)CC1 17742562 WYZBSCOCVOMCBA-UHFFFAOYSA-N 311.376 3.208 0 40 DGAB COc1ccc([C@H]2C=C(c3ccccc3)N=C3NC(C)=NN32)cc1 17831978 KNOJNJQLTNKRAZ-GOSISDBHSA-N 318.380 3.386 0 40 DGAB Fc1ccccc1O[C@@H]1OCCO[C@@H]1Oc1ccccc1F 18269815 FWTVEIMDHYXUST-IYBDPMFKSA-N 308.280 3.122 0 40 DGAB Fc1ccccc1CN1CCN(Cc2ccccc2F)CC1 19349161 QILXKEAVDMKETI-UHFFFAOYSA-N 302.368 3.283 0 40 DGAB CCOc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1C 20029936 WILNBQFPNKKCPB-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2C)c1 20460654 GVCRBZOBUZXXPY-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB Cc1cccc(C(=O)NCC2CCN(C3CCCC3)CC2)c1 23127976 MLTAJYHGDQQJJG-UHFFFAOYSA-N 300.446 3.379 0 40 DGAB CN1c2ccccc2C(=O)N[C@@H]1c1csc(Br)c1 28922959 MKXOGTGOTHKMIV-LBPRGKRZSA-N 323.215 3.389 0 40 DGAB CC(C)c1ccc(C(=O)N(CCC(N)=O)c2ccccc2)cc1 32848084 DIVAWEPQKPFYGU-UHFFFAOYSA-N 310.397 3.332 0 40 DGAB CCOc1ccc2nc(NCCCn3ccnc3)sc2c1 34936056 RNAVPEOLFDLLRM-UHFFFAOYSA-N 302.403 3.394 0 40 DGAB Cc1cc(C)c(OC[C@@H](O)CN2C[C@@H](C)C[C@H](C)C2)c(C)c1 37530311 KNQHFBWODOQHRM-MPGHIAIKSA-N 305.462 3.329 0 40 DGAB CCOC(=O)C1=Cc2ccccc2CN1C(=O)OC(C)(C)C 39025978 KZBYOKMQBXTJRR-UHFFFAOYSA-N 303.358 3.341 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccc(-n2cccn2)cc1 40106966 FRUJZIGUAYVHEW-FMIVXFBMSA-N 303.365 3.202 0 40 DGAB COc1cc(OC)cc(-c2nnc3sc(C4CCC4)nn23)c1 40285054 PBBFEPRIPIGTMQ-UHFFFAOYSA-N 316.386 3.138 0 40 DGAB Nc1c(-c2cc(Br)ccc2O)nc2ccccn12 44229690 RZISKWBAFQDDNE-UHFFFAOYSA-N 304.147 3.052 0 40 DGAB C[C@H]1CCCC[C@H]1OCCNC(=O)c1cccc(N(C)C)c1 47188720 MQOBVOAIKOHULV-WMLDXEAASA-N 304.434 3.078 0 40 DGAB Cc1nc(NC(=O)[C@@H]2CCCO2)sc1Cc1ccccc1F 48374669 MALXYJABJMOZNW-ZDUSSCGKSA-N 320.389 3.299 0 40 DGAB COc1ccccc1NC(=S)N[C@H]1COc2ccccc21 58466761 DSDAEZYNJDTUHP-ZDUSSCGKSA-N 300.383 3.115 0 40 DGAB C[C@@](O)(CNC(=O)C1c2ccccc2Oc2ccccc21)C1CC1 62021690 ZCTCYGQUPWUWLL-HXUWFJFHSA-N 323.392 3.201 0 40 DGAB COC(=O)c1sc(NC(=O)[C@@H](C)c2cc(C)oc2C)nc1C 65594438 ANKQLFOEZQCJFV-QMMMGPOBSA-N 322.386 3.190 0 40 DGAB COc1ccc(/C=C/c2cc3c(cc2OC)OCCO3)cc1O 66088605 SNGUNCZJWVLFNI-HWKANZROSA-N 314.337 3.351 0 40 DGAB COc1ccc(-c2csc(-c3cnc(C)nc3N)n2)cc1F 67699717 JAFLDJREAFBXIR-UHFFFAOYSA-N 316.361 3.305 0 40 DGAB Cc1nc(C)c(C(=O)Nc2ccc(-c3nnco3)cc2C)s1 67722911 NURBEMRGLHDZPA-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)CC[C@H]2CCCO2)cc1 69416926 SHZAUMLHSINCEV-RHSMWYFYSA-N 305.418 3.044 0 40 DGAB C[C@@H](C(=O)NCc1cccc(COC(C)(C)C)c1)n1ccnc1 69490485 WFOMFBSSDBPFQR-AWEZNQCLSA-N 315.417 3.076 0 40 DGAB O=C(Nc1cccc(Cl)c1)N1CCC[C@@H]1[C@H](O)C(F)(F)F 69702599 UYEQWRMTRQEIBM-MNOVXSKESA-N 322.714 3.260 0 40 DGAB O=C(Cc1ccccc1C(=O)O)Nc1cnc2ccccc2c1 71279984 AFCNEWMMZQPZSG-UHFFFAOYSA-N 306.321 3.114 0 40 DGAB CN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCSc2c(F)cccc21 71796079 VAUBKDOQEOWBOF-SMDDNHRTSA-N 324.421 3.183 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N(C)Cc1nc2ccccc2[nH]1 71903766 NVFMFAQNKMCHDZ-INIZCTEOSA-N 315.417 3.259 0 40 DGAB COc1c(C)cc(CN[C@H](C)c2nnc3ccccn23)cc1C 72032365 NYLCBZAMHFLVJM-CQSZACIVSA-N 310.401 3.206 0 40 DGAB Cc1ccccc1CN1CCC[C@@H]1c1cccc(CCC(N)=O)n1 72367123 YWWWIPZGCLRXPI-LJQANCHMSA-N 323.440 3.145 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)Nc1cccc(F)c1 74931881 IHXQFUDCTFGCRK-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CC1(C)SC(=O)N(Cc2cccc(Br)c2)C1=O 79061262 NHDBEZPEULRGMK-UHFFFAOYSA-N 314.204 3.423 0 40 DGAB CC(C)c1cc(CNC(=O)NCCCOC2CCCCC2)on1 79349219 WUQGSGWOPBVYGS-UHFFFAOYSA-N 323.437 3.337 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2c2noc(C3CC3)n2)s1 84205383 WBLIEBIHBIQRSG-ZDUSSCGKSA-N 317.414 3.223 0 40 DGAB c1ccc(CN2CCCCC2)c(CNc2ccc3nccn3n2)c1 84505922 XSFGYIPTABDXCV-UHFFFAOYSA-N 321.428 3.327 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cccc3[nH]ccc23)[C@H](CC)C1 89949063 HACAQIDAPGULLZ-RHSMWYFYSA-N 313.445 3.295 0 40 DGAB CCc1nc(C)c([C@@H](C)N[C@H]2CCN(c3ccccn3)C2)s1 90801379 UTFKZIWHNOIEDE-OCCSQVGLSA-N 316.474 3.338 0 40 DGAB C[C@H]1C[C@@H](N(C)C(=O)C(C)(C)F)CCN1Cc1ccccc1 92354886 ULTWBMROEDROAQ-HOCLYGCPSA-N 306.425 3.246 0 40 DGAB FC(F)c1nnc2ccc(N3CCC[C@@H]4CCCC[C@@H]43)nn12 92582798 KYHYRMUQPLHGOY-QWRGUYRKSA-N 307.348 3.221 0 40 DGAB C[C@H](NC(=O)N1CC[C@@H](Oc2cccnc2)C1)c1cccs1 95416753 VCNKPJSXSOWMBC-GXTWGEPZSA-N 317.414 3.067 0 40 DGAB CC(C)c1nc(CN(C)Cc2nc(-c3ccccc3)c[nH]2)no1 95432343 IYGRMIQGECMGEL-UHFFFAOYSA-N 311.389 3.215 0 40 DGAB c1ccc(CNCc2ccc(COC3CCOCC3)cc2)nc1 95434149 XZNYIVALHJTYGV-UHFFFAOYSA-N 312.413 3.067 0 40 DGAB Cc1noc(C)c1[C@H](C)CNC(=O)Nc1cccc(F)c1F 95434404 YETRSVMATYWLLJ-MRVPVSSYSA-N 309.316 3.495 0 40 DGAB CCOc1cccc([C@H]2C[C@H]2Nc2cc(-n3ccnc3)ncn2)c1 95463045 RDCJETLOISJFHF-HZPDHXFCSA-N 321.384 3.029 0 40 DGAB O[C@H]1CCCC[C@@H]1NC1CCN(Cc2ccccc2Cl)CC1 95967958 YJUDVJKXFHVFQC-ROUUACIJSA-N 322.880 3.198 0 40 DGAB CCn1ccc2ccc(NC(=O)N[C@H]3CCc4[nH]ncc4C3)cc21 95975253 GSBLMRSMJCFPOP-AWEZNQCLSA-N 323.400 3.063 0 40 DGAB COc1cc2cc(C(=O)Nc3nc(C)cs3)[nH]c2cc1OC 96118563 FXTCQORJLSPHIB-UHFFFAOYSA-N 317.370 3.202 0 40 DGAB O=C(Nc1ccccc1Cc1nc(-c2ccco2)no1)C1CC1 96119661 MNTQCYNRNWYXRM-UHFFFAOYSA-N 309.325 3.269 0 40 DGAB C[C@@]1(C(=O)NCc2cccc(F)c2)CC(c2ccccc2)=NO1 96192549 XMVXTVYECRWTQC-SFHVURJKSA-N 312.344 3.025 0 40 DGAB C[C@@H](NC(=O)NCCOC1CCCCCC1)c1nccs1 96411443 PIPUGDNVSQAPJZ-GFCCVEGCSA-N 311.451 3.243 0 40 DGAB CSC[C@@H](NC(=O)Cc1c(C)noc1Cl)c1ccccc1 96412781 PIDFSBRJTBDQQC-CYBMUJFWSA-N 324.833 3.399 0 40 DGAB O=C(NCc1nccs1)N[C@H]1CCC[C@H]1Cc1ccccc1 96415300 UIGINLJWYZBFAS-GJZGRUSLSA-N 315.442 3.354 0 40 DGAB COCCOc1ccc(Cl)cc1C(=O)Nc1ccncc1C 96451270 WMVNRSAWGCGBAI-UHFFFAOYSA-N 320.776 3.321 0 40 DGAB COc1ccccc1C[S@@](=O)Cc1cn2cccc(C)c2n1 96459896 FOPJLCXSRLFHRC-QFIPXVFZSA-N 314.410 3.100 0 40 DGAB C[C@H](C(=O)N[C@H](CC(=O)O)c1cccs1)c1cccs1 96479655 VBFWOXNOOZQLDI-VHSXEESVSA-N 309.412 3.245 0 40 DGAB C[C@@H](NCc1ccncc1Cl)c1ccc(-n2cncn2)cc1 96490798 CHCLHQMKKFWMSA-GFCCVEGCSA-N 313.792 3.167 0 40 DGAB CCNc1ccc(Br)cc1NC(=O)[C@@H](C)COC 97048616 XBWMQHNSHIRYBC-VIFPVBQESA-N 315.211 3.102 0 40 DGAB COc1ccc(-c2nnc(NCc3ccc(C)o3)o2)cc1OC 97375447 QXUSFMXZQQKUPB-UHFFFAOYSA-N 315.329 3.267 0 40 DGAB CC1=NN(c2ccccc2)C(=O)[C@H]1C(=O)c1ccc(F)c(F)c1 101348349 ZCIWAXBCKLVYEF-OAHLLOKOSA-N 314.291 3.186 0 40 DGAB CSC[C@H](C)NC1C[C@@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 102015191 PMYWTZXRZFIFIO-UBHSHLNASA-N 314.495 3.258 0 40 DGAB CCN1C(=O)C2(CCN(Cc3ccco3)CC2)c2ccccc21 103462683 RPSOSYAKTLBSGY-UHFFFAOYSA-N 310.397 3.180 0 40 DGAB C[C@@H](NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1cccc(Cl)c1 107065805 VUCHHHOHVMLBGM-LMXXTMHSSA-N 320.820 3.220 0 40 DGAB COc1ccccc1C(=O)COc1ccc(C(C)=O)cc1F 170854253 DSQRBXXBHWVNTH-UHFFFAOYSA-N 302.301 3.299 0 40 DGAB COCCOc1cc(C(=O)Nc2ccc(F)c(Cl)c2)ccn1 182266574 GLFYEOOJLMKMHK-UHFFFAOYSA-N 324.739 3.152 0 40 DGAB CC(C)Cc1nnc(NC(=O)NC2Cc3ccccc3C2)s1 184169063 FSKKXQDXEHTQJV-UHFFFAOYSA-N 316.430 3.026 0 40 DGAB CN(Cc1ccccc1)C(=O)CSC(=S)N1CCCCC1 215680241 RBETXQWLVMCPBX-UHFFFAOYSA-N 322.499 3.149 0 40 DGAB O=C(OCc1ccc(F)cc1)c1snnc1-c1cccnc1 223851370 PWMUHVGZWSNMAD-UHFFFAOYSA-N 315.329 3.096 0 40 DGAB Cc1cc(C)c(C)c(OCC(=O)NCCOc2ccccc2)c1 224266460 YEPHCHBVVHOCEA-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1ccnc(NC(=S)N[C@@H](C)CCc2ccccc2)n1 225175114 BIQFHJRSQKPNQF-LBPRGKRZSA-N 300.431 3.093 0 40 DGAB O=C(NC[C@@H]1CCCN1c1ccccn1)c1cc2ccccc2o1 225629600 MXFQJIGDIRYJFI-HNNXBMFYSA-N 321.380 3.227 0 40 DGAB CCCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1 225896454 CZLMQSRJOVFMIL-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB NC(=O)c1cc(Cl)c(OC(=O)c2ccccc2)c(Cl)c1 226365524 KETGSOQBUBGBPA-UHFFFAOYSA-N 310.136 3.312 0 40 DGAB Nc1n[nH]c(-c2ccc(OCc3ccc(Cl)cc3)cc2)n1 226762132 GVYHJVQJSBGCPT-UHFFFAOYSA-N 300.749 3.286 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cn1ccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 248253686 NKANWDGDUPTOFE-DRMAHVMPSA-N 323.440 3.486 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(Cc3scnc3C)C2)c1 257231368 GGKGVTLINALTOD-CYBMUJFWSA-N 302.447 3.186 0 40 DGAB Cc1nccc([C@@H]2CN(Cc3ccc(F)cc3Cl)CCO2)n1 257237934 HIXBIDNGSWGOKZ-INIZCTEOSA-N 321.783 3.151 0 40 DGAB CCOc1ccccc1[C@H](C)NC(=O)[C@@H](O)C1CCCCC1 331245242 RJASYMZOWRIHRU-GUYCJALGSA-N 305.418 3.204 0 40 DGAB CC(C)c1ccc(-n2ccnc2SC[C@H]2CNC(=O)C2)cc1 521394954 FYOYJWURCASBKM-CYBMUJFWSA-N 315.442 3.224 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@H]2c2nc3ccccc3o2)ncn1 536221797 QJKVDUUCYFLQOG-HNNXBMFYSA-N 322.368 3.294 0 40 DGAB CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)C1(C(F)F)CCCC1 585084074 ZDIMMZGQHPEABE-UHFFFAOYSA-N 313.392 3.491 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@H]1c1ccncn1 585120867 RNILDZDCRVZFEM-HNNXBMFYSA-N 301.777 3.036 0 40 DGAB O=C(N[C@H]1CCCN(CCCC2CCC2)C1)c1ccccc1 1006612753 GEWBWHWYGFFVQP-SFHVURJKSA-N 300.446 3.461 0 40 DGAB CCCCCC(=O)Cc1cc(O)c(OC)cc1CCC(=O)O 1772591015 AFZNOEVOHFFEMH-UHFFFAOYSA-N 308.374 3.110 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2nnc(C(C)C)s2)C1 1889091500 BDDCGBGFABAHPE-LBPRGKRZSA-N 304.419 3.023 0 40 DGAB Cn1nccc1-c1ccc(CCNC(=O)[C@@H]2CC=CCC2)cc1 1889128312 LZFIZCIONPLGTF-QGZVFWFLSA-N 309.413 3.102 0 40 DGAB CCOC(=O)Nc1ccc(C(=O)Oc2ccccc2)c(O)c1 116399 FAKOKJBRBSMSSZ-UHFFFAOYSA-N 301.298 3.180 0 40 DGAB Cc1cccc(NC(=O)COc2cccc(Br)c2)n1 138509 IFOWMXSPQGDOIN-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB COC(=O)c1cccc(NC(=O)/C=C/c2ccccc2OC)c1 1918861 RRRKAOBEUJYWKG-ZHACJKMWSA-N 311.337 3.134 0 40 DGAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3cn(C)nc3C)nc21 2732567 NECJRZJNYSLFHF-UHFFFAOYSA-N 323.322 3.487 0 40 DGAB O=C1Cc2ccccc2C(=O)N1c1cccc(C(F)(F)F)c1 3201190 WRSIWKWKAZBXHE-UHFFFAOYSA-N 305.255 3.435 0 40 DGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(F)cc1F 3262711 UCEGEBPZWZHXNX-SNVBAGLBSA-N 309.337 3.105 0 40 DGAB CCN(CC(=O)NC(C)(C)C)C(=O)c1cc2c(s1)CCCC2 3323261 KVGKUPWMQLZKEN-UHFFFAOYSA-N 322.474 3.004 0 40 DGAB COc1ccc(NC(=O)COc2c(C)cccc2C)cc1OC 3611651 KLVNMCLQCSKJFU-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB O=C1C2=C(CCCC2)C(=O)N1c1cccc(Br)c1 4723498 JSTBSVFFVHWUGK-UHFFFAOYSA-N 306.159 3.193 0 40 DGAB CC(C)(C)NC(=O)CC[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)NC(C)(C)C 5062813 RUIKDRLQLOUVDC-CTASWTNQSA-N 320.477 3.034 0 40 DGAB O=S(=O)(c1ccccc1Cl)N1CCCc2ccccc21 5120474 HFIQSUSBKNZGAJ-UHFFFAOYSA-N 307.802 3.482 0 40 DGAB CCCc1cc(O)nc(S[C@H](C(=O)O)c2ccccc2)n1 6380043 BBPVBBRAZXUBHR-ZDUSSCGKSA-N 304.371 3.053 0 40 DGAB Cc1cccc(OCCC(=O)N2CCN(c3ccccc3)CC2)c1 6510037 MPUDJHCSUSYCTH-UHFFFAOYSA-N 324.424 3.113 0 40 DGAB COc1ccc(C(=O)N[C@@H]2CCCC[C@@H]2C)c(OC)c1OC 6648779 QQNOQZHTSVRVFT-WCQYABFASA-N 307.390 3.021 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)NC[C@H]1CCCO1 6759062 ZPNCROQYGHGLSR-CYBMUJFWSA-N 302.399 3.027 0 40 DGAB Cc1cc(C)cc(OCCOC(=O)c2n[nH]c3ccccc23)c1 6975545 ZCROYPIKNAWETN-UHFFFAOYSA-N 310.353 3.416 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7406727 FCFQQIXULJZJBA-WFASDCNBSA-N 324.833 3.041 0 40 DGAB CCCCc1ccc(NC(=O)CSc2cccc[n+]2[O-])cc1 7507477 FTARTOHIEBTHMR-UHFFFAOYSA-N 316.426 3.393 0 40 DGAB O=C(Cc1cccc(F)c1)Nc1ccc(N2CCCC2=O)cc1 7640695 JVYKQHATWWNBLN-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(N3CCCC3)cc2)cc1 7951242 SXLJLGJNALRJQW-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB Cc1cc(NC(=O)CN2CCCC[C@H]2C)ccc1N1CCCC1 8720786 CQVIKFCHNYTDPP-MRXNPFEDSA-N 315.461 3.408 0 40 DGAB O=C(O)c1nc(-c2ccc(F)cc2)n(-c2ccc(Cl)cc2)n1 8730835 OWIZJQRFDNIIRY-UHFFFAOYSA-N 317.707 3.425 0 40 DGAB Cc1nnc(SC[C@@H](O)c2ccccc2)n1-c1ccccc1 9155928 OUYKWFMEWBXBIA-MRXNPFEDSA-N 311.410 3.401 0 40 DGAB COc1ccc(OCC(=O)NCCCc2ccc(C)cc2)cc1 10110365 RZYJCQVIWVHMHJ-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB O=C(Cn1ccnc1)Nc1ccc(Cl)c(C(F)(F)F)c1 10809273 BRJBLUXQEVQMCJ-UHFFFAOYSA-N 303.671 3.194 0 40 DGAB C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)NC1CC1 10986200 GLMUAQLOSGUBKC-LLVKDONJSA-N 315.394 3.239 0 40 DGAB O=C(Nc1nnc(-c2ccno2)o1)c1ccc2ccccc2c1 12234499 RYVDBLWAGGPINM-UHFFFAOYSA-N 306.281 3.130 0 40 DGAB O=C(O)C[C@@H](NC(=O)[C@H]1CC=CCC1)c1ccc(Cl)cc1 13175820 IDRSQNRIKMTWKX-GXTWGEPZSA-N 307.777 3.328 0 40 DGAB c1ccc(CCc2nnc3sc(-c4ccncc4)nn23)cc1 13655257 YQZWIVCYGKUOSM-UHFFFAOYSA-N 307.382 3.033 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2c(=O)oc3ccccc32)cc1F 14106495 MCSJQPYAXLJMAW-LLVKDONJSA-N 314.316 3.242 0 40 DGAB O=C(c1cc(-c2ccc(Br)cc2)n[nH]1)N1CCCC1 15721646 MREFCPYJKPRMJZ-UHFFFAOYSA-N 320.190 3.075 0 40 DGAB NC(=O)c1ccc(COC(=O)c2cc3ccccc3s2)cc1 16126403 QKFSWXSOINREOR-UHFFFAOYSA-N 311.362 3.357 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccc2nsnc12 19108601 YFBSIYRBMSQKJY-LLVKDONJSA-N 324.409 3.081 0 40 DGAB CCc1ncc(CN2CCC(c3cc4ncccc4[nH]3)CC2)cn1 19523356 CTQXTFABDPZHNY-UHFFFAOYSA-N 321.428 3.295 0 40 DGAB CCOc1cccc(CNC(=O)COc2ccccc2Cl)c1 20485024 YHYLZXPTSSNZPA-UHFFFAOYSA-N 319.788 3.434 0 40 DGAB C[C@H](NC(=O)COc1ccc(F)cc1Cl)c1cccnc1 22692824 XFUGCRLDSCGEOT-JTQLQIEISA-N 308.740 3.130 0 40 DGAB O=C(CCCC1CCCCC1)NCCc1nnc2ccccn12 22694848 GVXONCIWCRLXBL-UHFFFAOYSA-N 314.433 3.139 0 40 DGAB C[C@]1(C(=O)N2CCO[C@H](c3ccccc3)C2)CC1(Cl)Cl 23897031 DNQIGBLBMUXVRH-GXTWGEPZSA-N 314.212 3.170 0 40 DGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NC(C1CC1)C1CC1 24475170 INZFHROHMKOHQX-MDZDMXLPSA-N 311.834 3.419 0 40 DGAB Cc1cccc(C(=O)NC2=NCCCN2c2cccc(F)c2)c1 28535668 KBWZWZWYUPYEQK-UHFFFAOYSA-N 311.360 3.130 0 40 DGAB CC(=O)c1sc(NC(=O)[C@H]2C[C@H]2c2ccccc2)nc1C 28573100 HAYVAGVGKRZPSS-STQMWFEESA-N 300.383 3.396 0 40 DGAB O=C(NCc1ccccn1)c1cc(-c2ccc(Cl)cc2)[nH]n1 29516997 CLRDJNGBOCBIBG-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB COc1ncccc1CNC(=O)c1cc2ccc(C)cc2nc1C 33017324 LHMSOIFWJGMWNL-UHFFFAOYSA-N 321.380 3.185 0 40 DGAB CC(C)[C@H](NC(=O)CCSc1ccc(Cl)cc1)C(=O)O 33456175 ZRYCUODJUIAJCI-ZDUSSCGKSA-N 315.822 3.048 0 40 DGAB O=C(Nc1cccc(N2CCNC2=O)c1)c1cccc(Cl)c1 40108548 ZUCWWBZXJFYQHX-UHFFFAOYSA-N 315.760 3.122 0 40 DGAB CN(Cc1ccco1)C(=O)CN1CCC[C@@H]1c1cccs1 41106769 NQVFQAGEXFJBDD-CQSZACIVSA-N 304.415 3.137 0 40 DGAB CC(C)(C)c1ccc(C2(C(=O)NC[C@@H]3CCOC3)CC2)cc1 41940088 XLKAYIUJWNPQIQ-AWEZNQCLSA-N 301.430 3.168 0 40 DGAB CCOc1cccc(CNC(=O)[C@H](C)Oc2cccc(C)c2)c1 48373687 HPVSPZHUYLVMAB-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB CCN(CC)C(=O)C(=O)Nc1cc(Cl)c(Cl)cc1Cl 48724810 BYVRUNHUIGMWFF-UHFFFAOYSA-N 323.607 3.454 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2occc2C)c1 49121884 LCZMHGUADMQKHL-CYBMUJFWSA-N 314.385 3.046 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)N[C@@H](C)C(C)C)CC1 60322502 QHDVLCQPBLLMGY-INIZCTEOSA-N 302.462 3.368 0 40 DGAB O=C(NCc1cccs1)Nc1ccc(N2CCCCC2)nc1 61398865 KLHCUNOHPLGGFN-UHFFFAOYSA-N 316.430 3.455 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@@H]1c1ccsc1 65449195 QSCTYQKKKWAJFE-OAHLLOKOSA-N 318.446 3.259 0 40 DGAB CCO[C@H]1CCCN(C(=O)Nc2ccc(NC(=O)CC)cc2)C1 65585182 OHTYCRHQBNYRPW-HNNXBMFYSA-N 319.405 3.068 0 40 DGAB CCCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@@H](C)CC 69414484 XKNVRQHDPPOTQB-ZDUSSCGKSA-N 311.447 3.131 0 40 DGAB COc1ccccc1CC1CCN(C(=O)CC(F)(F)F)CC1 69530194 BLKANNMRQBYOPG-UHFFFAOYSA-N 315.335 3.429 0 40 DGAB O[C@@]1([C@]2(O)C[C@H]3CC[C@H]4CC[C@@H]2[C@H]43)C[C@@H]2CC[C@H]3CC[C@H]1[C@H]32 71785676 RWAAWFINOVJONO-XQGGFPAYSA-N 302.458 3.361 0 40 DGAB COc1ccc(OC(C)C)c(NC(=O)c2ccnc(F)c2)c1 71882789 NPPHLPVOUIYUHM-UHFFFAOYSA-N 304.321 3.269 0 40 DGAB O=C(CCc1ccncc1)N1CCCC[C@H]1c1nccs1 72285814 LUKGMRKLODOAGQ-AWEZNQCLSA-N 301.415 3.225 0 40 DGAB CCOC(=O)C[C@@H](CC(C)C)c1c(O)c2ccccc2[nH]c1=O 72325297 LVNPLKGFERSDCX-GFCCVEGCSA-N 317.385 3.317 0 40 DGAB biogenic CS[C@@H]1CC[C@H](N(C)C(=O)c2cccc(CN(C)C)c2)C1 74120328 SOAXGBJOVPNHGL-JKSUJKDBSA-N 306.475 3.104 0 40 DGAB C[C@H](CNC(=O)N(C)Cc1ccncc1)c1ccc(F)cc1F 74886187 VXDJIZDVKQVQGG-GFCCVEGCSA-N 319.355 3.305 0 40 DGAB CSC[C@H](CCO)NC(=O)Nc1c(C)cccc1C(C)C 77659948 XUXAINZEGPELRS-ZDUSSCGKSA-N 310.463 3.354 0 40 DGAB CCS[C@H]1CCCC[C@@H]1NC(=O)NCc1cnc(C)s1 78317775 IOBFMESIXAFFKB-STQMWFEESA-N 313.492 3.315 0 40 DGAB Cc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78403826 KUVHPPVKPUXFSB-GFCCVEGCSA-N 302.399 3.152 0 40 DGAB Cc1ccc2nc(-c3cncc(Br)c3)[nH]c(=O)c2c1 84208039 FKDJDENSEOQCNP-UHFFFAOYSA-N 316.158 3.056 0 40 DGAB Cc1ncsc1CNC(=O)[C@@H](C)CCOc1ccccc1 89565513 YUEKYMXLULNJEA-LBPRGKRZSA-N 304.415 3.173 0 40 DGAB Clc1cccc(OCCN2CCC(n3ccnc3)CC2)c1 89774666 FQSIZEMHSDUUJK-UHFFFAOYSA-N 305.809 3.252 0 40 DGAB C[C@@H](NCCNc1nccc(C(F)(F)F)n1)c1cccs1 95422769 UCVCYKJQKWVMSQ-SECBINFHSA-N 316.352 3.320 0 40 DGAB CCc1nsc(NCCc2ccc(Br)o2)n1 95970855 RCNKOJFTIFJSON-UHFFFAOYSA-N 302.197 3.111 0 40 DGAB CC(C)[C@H]1C[C@H](CNc2cccc(-c3nc[nH]n3)c2)CCO1 95994934 RXLQMUGXJXNVAG-CZUORRHYSA-N 300.406 3.335 0 40 DGAB CN(C)c1cnccc1NC(=O)[C@H]1CCCc2sccc21 96011089 FVBYYCCIXCQWFM-LBPRGKRZSA-N 301.415 3.268 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H](C)c2cccs2)c(F)c1 96413811 NYKNCVRNPKUQQI-VIFPVBQESA-N 307.346 3.416 0 40 DGAB C[C@@H]1CN(C(=O)CCCc2ccccn2)[C@H](c2ccccc2)CO1 96433361 RFIQVSBLRLLTQP-APWZRJJASA-N 324.424 3.393 0 40 DGAB Cc1cccc(O[C@H](C)CNC(=O)NCc2csc(C)n2)c1 96439161 AYKIIIUBXKBEHB-GFCCVEGCSA-N 319.430 3.027 0 40 DGAB O=C([C@@H]1CCCOC1)N(CC(F)F)c1cccc(Cl)c1 96460951 MJIJXGAMFNQLAY-SNVBAGLBSA-N 303.736 3.365 0 40 DGAB O=C(O)[C@@H]1CCC(=O)N(CC2CCCC2)[C@H]1c1ccccc1 96515686 COANTQJOBMJGGR-WBVHZDCISA-N 301.386 3.241 0 40 DGAB Cc1cc(N[C@H]2C[C@@H](C)N(C3CC3)C2)ccc1C(=O)NC(C)C 97050977 SQIPHGIMHYJRKT-ZBFHGGJFSA-N 315.461 3.170 0 40 DGAB COC(=O)N(C)c1ccc(NC(=O)c2cc(Cl)ccn2)cc1 97728838 RHFVZVSCTOLBKO-UHFFFAOYSA-N 319.748 3.190 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 106096939 DBLBFYMITJBUON-OFQRWUPVSA-N 314.429 3.462 0 40 DGAB C[C@@H](C(=O)N1C[C@H](C)C[C@@H]1c1cccc(F)c1)n1cccn1 107054569 WGXCDPBUECEFJN-DVOMOZLQSA-N 301.365 3.193 0 40 DGAB CC(C)c1nnc(CN2CCC[C@H]2C[C@@H](O)c2ccccc2)o1 107584885 REBLMNPNYVNPHD-JKSUJKDBSA-N 315.417 3.281 0 40 DGAB Cc1cc(NC(=O)NC2(c3nccs3)CCCC2)ccn1 120133007 HWGSAXJHRLBBLW-UHFFFAOYSA-N 302.403 3.438 0 40 DGAB CCN(Cc1cnn(C)c1)C(=O)Nc1cc(Cl)ccc1C 122164729 ZGGATXVWZAQPCL-UHFFFAOYSA-N 306.797 3.436 0 40 DGAB COc1cccc(CNC[C@H](O)c2cc3ccccc3s2)n1 191316464 WGMAYCCJHURUEL-AWEZNQCLSA-N 314.410 3.128 0 40 DGAB Cc1nc(C)c(C(=O)NC[C@@H]2CCCN2c2ccccc2)s1 207991522 SXACIQVBJOURRD-HNNXBMFYSA-N 315.442 3.159 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)COc2cccc(C)c2)cc1 222755950 JSJHLGMLARSYHX-INIZCTEOSA-N 313.397 3.266 0 40 DGAB Cc1ccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)cc1C 224297355 MFKUIMUYCIOVDW-UHFFFAOYSA-N 313.405 3.420 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CCC 225280366 NCRJCDMPMHVSQX-INIZCTEOSA-N 322.424 3.259 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)cc2C)cc1 225594771 PXTBHYFDWZJAJG-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB C[C@@H](CS[C@@H]1CCNC1=O)c1ccc(C(F)(F)F)cc1 225702914 VDCYTIKORITDIG-JOYOIKCWSA-N 303.349 3.431 0 40 DGAB CCN(CC)C(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152747 RACXJLYVJHJEID-GFCCVEGCSA-N 321.808 3.161 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@@H]1c1ccncn1)CCCC2 257213255 CGUOIKDDXMOADZ-OAHLLOKOSA-N 311.385 3.234 0 40 DGAB CC1(c2nccs2)CCN(C(=O)Cc2ccsc2)CC1 257325385 WSSTWRPCLMEDFO-UHFFFAOYSA-N 306.456 3.327 0 40 DGAB Fc1ccc(C[C@H]2CC3(CO2)CN(Cc2ccncc2)C3)cc1 257339293 ZBCCZSIAIXHQMK-SFHVURJKSA-N 312.388 3.054 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1C[C@@H](O)[C@@H]1[C@@H]2C(=O)C[C@@]2(C)CCC[C@H]12 257346030 OWSDKGMPDGHRFF-VWTTZANCSA-N 304.430 3.138 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1 339378974 MWQAFPWDXKZHFE-HNNXBMFYSA-N 324.424 3.304 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)CC2=O)c1 408708630 RSQTVHDRVGXTKM-UXLLHSPISA-N 314.429 3.043 0 40 DGAB COc1cc(/C=C\C(N)=O)ccc1OCc1ccccc1Cl 409416200 DZDRRQIKMZUJSD-CLFYSBASSA-N 317.772 3.426 0 40 DGAB C[C@H](CN(C)C(=O)c1c[nH]nc1-c1cccnc1)c1ccccc1 521653499 JHQZQZFJDIGKGR-CQSZACIVSA-N 320.396 3.347 0 40 DGAB COCCC1(CNC(=O)c2c(Cl)ccnc2C)CCCC1 585125842 HFYRZHNPEJYTJJ-UHFFFAOYSA-N 310.825 3.370 0 40 DGAB O=C1CC2(CCCCCC2)N(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)N1 585126098 OJYKGVSIRGIOOB-KKUMJFAQSA-N 304.434 3.169 0 40 DGAB C[C@@H]1C[C@@H](C(=O)N2CCC[C@H](n3ccnn3)CC2)CC(C)(C)C1 585131261 QHGHHWMCNZAFHP-OAGGEKHMSA-N 318.465 3.294 0 40 DGAB CCc1cc(C(F)(F)F)nn1[C@@H](CC(=O)O)C(F)(F)F 675031757 MFGYMHRELSOAPP-ZETCQYMHSA-N 304.190 3.042 0 40 DGAB C[C@H](Cc1nc(-c2ccccc2)no1)NC(=O)C1(C)CC=CC1 1548449112 SMYADKABZVFCNQ-CYBMUJFWSA-N 311.385 3.140 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3c2ccnc(C(C)C)n2)c1 1889078123 CMUDXMTUSWHDQE-XYPWUTKMSA-N 311.433 3.477 0 40 DGAB Cc1cnccc1OCC1CCN(Cc2cncs2)CC1 2086950819 BZWUILRIVRCSRF-UHFFFAOYSA-N 303.431 3.138 0 40 DGAB O=C1S/C(=C\c2ccco2)C(=O)N1CCOc1ccccc1 976738 IEDKAKZRPRQQSV-KAMYIIQDSA-N 315.350 3.395 0 40 DGAB OCc1ccc2c(c1)C[C@@]1(C2)Cc2cc3c(cc2[C@H]1O)CCC3 1646177 BSHZCNKXGSJSNV-RTWAWAEBSA-N 306.405 3.042 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N1c2ccccc2C[C@H]1C 2764747 CMGWQZOMNUWEJA-LLVKDONJSA-N 305.328 3.107 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Oc1ccc2c(c1)OCO2 3393842 QTKUSJBNQFTSCR-UHFFFAOYSA-N 309.321 3.435 0 40 DGAB O=C(COC(=O)/C=C/c1ccc(Cl)cc1)NC1CCCCC1 3398031 PHIVVGCXUNFWMY-DHZHZOJOSA-N 321.804 3.345 0 40 DGAB Cc1cccc(NC(=O)C2CCN(C(=O)c3ccco3)CC2)c1 4998822 ILHNXQFXJWNNBP-UHFFFAOYSA-N 312.369 3.079 0 40 DGAB O=C(OCc1ccccc1Br)c1ccc(CO)cc1 5184122 IKDXAZMZOKMXMR-UHFFFAOYSA-N 321.170 3.298 0 40 DGAB COc1ccc(/C=C2\CCn3c2nc(=O)c2ccccc23)cc1 5484389 XNHQNVRBQDSNIM-WYMLVPIESA-N 304.349 3.349 0 40 DGAB CCc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 6168820 KQHXNKOGBMJFGW-IBGZPJMESA-N 311.425 3.047 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2O1)c1c(F)cccc1Cl 6847493 FXIPPTXIMGGHBT-SNVBAGLBSA-N 321.735 3.049 0 40 DGAB O=S(=O)(Nc1ccccc1)c1cccc(Br)c1 7052501 JPSZUSKQOMHYRI-UHFFFAOYSA-N 312.188 3.250 0 40 DGAB COc1cccc(NC(=O)/C=C/c2cc(OC)cc(OC)c2)c1 7070046 XDOWDOAMRBDZCJ-BQYQJAHWSA-N 313.353 3.364 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCc1cccc(F)c1 7124004 NXZOUMKDXVAOAK-UHFFFAOYSA-N 307.752 3.460 0 40 DGAB COc1ccccc1-c1noc(COC(=O)c2cccs2)n1 7128321 SRFHUWVQAKERMA-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)c(O)c1 7284980 VRCKPIVXYFQSEO-UHFFFAOYSA-N 324.380 3.075 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 7941110 LWQDVSCNWDIQQR-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB biogenic CCOc1c(C)cc(S(=O)(=O)N2CCCCC2)c(C)c1C 8131865 MRRNXUOYONBGGU-UHFFFAOYSA-N 311.447 3.185 0 40 DGAB CCOc1cc2c(cc1CNC(=O)c1ccsc1)O[C@H](C)C2 8273310 IVLYGIDEBAKIIL-LLVKDONJSA-N 317.410 3.400 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccccc21)c1ccccc1 8395364 SBVZLOZDECNZBC-AWEZNQCLSA-N 305.424 3.202 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(OC(F)(F)F)cc1 9367250 MQDJPPZXQBLOQM-UHFFFAOYSA-N 321.258 3.319 0 40 DGAB C[C@@H](Sc1nc2ncccn2n1)C(=O)c1ccc(Cl)cc1 10074621 SOMMORRNOADUPS-SECBINFHSA-N 318.789 3.141 0 40 DGAB COc1cc(OC)cc(C(=O)NCCCc2cccc(C)c2)c1 10110645 NMBAMPJISLEIHH-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CCOc1ccccc1NC(=O)CCc1ccc2c(c1)OCO2 10412680 NQUUYEGZUJGKTE-UHFFFAOYSA-N 313.353 3.385 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)c2cccc(Cl)c2)C1 10542845 VAHGQBRGGDWMFM-OKILXGFUSA-N 308.853 3.438 0 40 DGAB Cc1ccc(C)c2nc3c(cc12)CN(Cc1ccco1)C(=O)CO3 12113095 SXOBIUQKJUWBQI-UHFFFAOYSA-N 322.364 3.366 0 40 DGAB O=C(CNC(=O)c1ccccc1Br)c1ccccc1 12346507 JGFFKXIMRMLSJZ-UHFFFAOYSA-N 318.170 3.062 0 40 DGAB CCc1ccc(C(=O)O[C@@H](CC)C(=O)Nc2cc(C)on2)cc1 12603052 MMBLNOFZYMSSLM-AWEZNQCLSA-N 316.357 3.120 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)Nc1cc(C)on1 12902046 MBNHQQXEJPXDTN-UHFFFAOYSA-N 316.405 3.147 0 40 DGAB Cc1ccc(Sc2ncccc2C(=O)N2CCOCC2)cc1 12926480 XBAIBZUVXFQXME-UHFFFAOYSA-N 314.410 3.014 0 40 DGAB COc1ccc(OC)c(NC(=S)NCCc2cccs2)c1 17056200 JCUUALPLVAVMPW-UHFFFAOYSA-N 322.455 3.294 0 40 DGAB CCn1cnc2cc(NC(=O)c3ccc(C(C)C)[nH]c3=O)ccc21 19578281 NGBYCFSNARFKJO-UHFFFAOYSA-N 324.384 3.120 0 40 DGAB Cc1cc(NC(=O)c2cc(-c3ccc(C)c(F)c3)on2)no1 21787819 NCYPJMPRNJKJLE-UHFFFAOYSA-N 301.277 3.338 0 40 DGAB CC(=O)c1csc(NC(=O)c2cccc(OC(F)F)c2)n1 25250602 ILYBONKPXRPOAP-UHFFFAOYSA-N 312.297 3.199 0 40 DGAB COC(=O)c1cccc(NC(=O)c2c(C)noc2C(C)C)c1C 29157382 PDCAWPYFEHFYQI-UHFFFAOYSA-N 316.357 3.454 0 40 DGAB COc1cccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)c1OC 29278495 UUXBKYJGDRMCBZ-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB O=C(COc1ccccc1Cl)NCCOc1ccc(F)cc1 29294136 OTVOPUIHELBUJJ-UHFFFAOYSA-N 323.751 3.053 0 40 DGAB C[C@H](NC(=O)NCCc1ccc(Cl)cc1)c1ccccn1 29317295 RRNIITIXNDZENS-LBPRGKRZSA-N 303.793 3.338 0 40 DGAB Cc1cc(C(=O)NC(C2CC2)C2CC2)c(C)n1-c1cccnc1 32952570 GUQIKCCVAKGOPN-UHFFFAOYSA-N 309.413 3.408 0 40 DGAB CC1(C)COCCN1C(=O)C(c1ccccc1)c1ccccc1 36101983 MVNXPNACJUFWCZ-UHFFFAOYSA-N 309.409 3.456 0 40 DGAB O=C1C[C@@H](c2nc(-c3ccccc3)no2)CN1Cc1ccccc1 38671095 KRNICKZMXZVARN-MRXNPFEDSA-N 319.364 3.253 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Oc2cccc(C)c2C)s1 39989075 MCDCXOGWTZTQOP-JTQLQIEISA-N 323.443 3.283 0 40 DGAB CCCOc1ccc([C@@H](C)NC(=O)c2cc(C)on2)cc1OC 40541273 OMJQGERCNQCAGY-GFCCVEGCSA-N 318.373 3.271 0 40 DGAB CC[C@H](C)c1noc([C@H]2CCCN(C(=O)c3ccco3)C2)n1 41123201 MYBGILCCIMUXAT-RYUDHWBXSA-N 303.362 3.196 0 40 DGAB O=C(NCc1ccccc1F)c1csc(-n2cccc2)n1 44448422 VNIWRDGARRTENS-UHFFFAOYSA-N 301.346 3.003 0 40 DGAB c1csc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)c1 49169615 UHZDGGHFTCZEGL-ZDUSSCGKSA-N 312.398 3.183 0 40 DGAB biogenic,in-vitro Cc1c(C)c2ccc3c(c2oc1=O)CN(Cc1ccncc1)CO3 57105640 ZMHYTGOOJPXQAO-UHFFFAOYSA-N 322.364 3.157 0 40 DGAB COc1ccc(Cl)cc1C(=O)OCC(=O)c1ccccc1 58097888 PUGFIKWDOKLCKM-UHFFFAOYSA-N 304.729 3.388 0 40 DGAB Cc1ccccc1NCCC(=O)N1CCN(c2ccccc2)CC1 58246862 TUWXYWFFSVRHSH-UHFFFAOYSA-N 323.440 3.146 0 40 DGAB CCC(=O)CSc1nnc(Nc2cccc(OC)c2)s1 58327249 XQAPQXZOBDJUFW-UHFFFAOYSA-N 309.416 3.362 0 40 DGAB O=C1COc2ccc(Br)cc2CN1c1ccccc1 65184317 ASKYTOXOCYIIPK-UHFFFAOYSA-N 318.170 3.375 0 40 DGAB CNC(=O)c1cnc(/C=C/c2cnc(-c3ccccc3)nc2)s1 65589890 IKEKOAKYSLEIGT-BQYQJAHWSA-N 322.393 3.130 0 40 DGAB O=C(NCc1ccncc1)C1(c2cccc(C(F)(F)F)c2)CC1 66266926 VFAQWGGVQHJFSA-UHFFFAOYSA-N 320.314 3.448 0 40 DGAB O=c1c2sccc2ncn1Cc1ncc(-c2cccs2)o1 67428973 IZCDEIDVTGNDRM-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB C[C@@H](CCc1c[nH]c2ccccc12)NCc1n[nH]c2c1CCC2 67758206 VUHFEBVEQJGIPA-ZDUSSCGKSA-N 308.429 3.491 0 40 DGAB COCc1nc(C(=O)Nc2nc3c(s2)CCCCC3)cs1 68413529 PQMSEPJFLZNHBK-UHFFFAOYSA-N 323.443 3.267 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@H]3CCCC[C@@H]3C)CC2=O)cc1 69049149 ROSYSCXPUIENSA-UXLLHSPISA-N 314.429 3.043 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2c[nH]nc2-c2cccs2)c1 69463577 PKSOPHXPQJZRPH-STQMWFEESA-N 315.446 3.382 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2nccn2Cc2ccccc2)cn1 69871394 LTDYDNPDYTVUFA-GOSISDBHSA-N 321.428 3.002 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCCCc2ccccc21 71799400 OGMPODMPQXUUBG-UHFFFAOYSA-N 318.380 3.250 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2C2CCCCC2)cn1 71841417 DGXNXMZPBHMHIZ-YESZJQIVSA-N 301.434 3.095 0 40 DGAB Cc1occc1C(=O)NCCc1nc(-c2ccccn2)cs1 71893140 DVHQHPYMKDNJCF-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB COc1ccc(Cc2nc(-c3ccccc3)c3n2CCNC3)cc1 72233723 SIYOHSNOUUOGHU-UHFFFAOYSA-N 319.408 3.253 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)c3cc(F)ccc3C)C2)n1 72235679 TUNJQUWJQORMJI-MRXNPFEDSA-N 315.392 3.425 0 40 DGAB Cc1cc(=O)[nH]cc1-c1ccc(C(=O)Nc2nccs2)s1 72243442 DVJLOBOAFTXDPR-UHFFFAOYSA-N 317.395 3.121 0 40 DGAB COc1cccc(C(=O)Nc2cccc(C[S@@](C)=O)c2C)c1 72286762 GXERRCQZBPQMIS-QFIPXVFZSA-N 317.410 3.134 0 40 DGAB COc1cccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)c1 72298956 UHTCBGGURJSECV-AWEZNQCLSA-N 316.426 3.480 0 40 DGAB O=C(CCCc1nnc2ccccn12)Nc1cccc(Cl)c1 72402291 KLESESUSHKZBNM-UHFFFAOYSA-N 314.776 3.344 0 40 DGAB CN(Cc1cccnc1)Cc1cc2c(cc1OC(F)F)OCO2 76040358 UASWUIUMNRATAG-UHFFFAOYSA-N 322.311 3.044 0 40 DGAB c1ccc(Cn2ccnc2CNc2cccc3c2OCCO3)cc1 78975391 YLGPRDJOMXIASP-UHFFFAOYSA-N 321.380 3.315 0 40 DGAB CC(C)c1nsc(NCC2(N3CCOCC3)CCCCC2)n1 80763336 YBTGEQZBIVMEMJ-UHFFFAOYSA-N 324.494 3.109 0 40 DGAB CCc1cnc(CN(C)C(=O)Nc2cnn(CC(C)C)c2)s1 83827886 BDHRFFTWWRZWGP-UHFFFAOYSA-N 321.450 3.222 0 40 DGAB Cc1ncc(CNC[C@H](O)c2cccs2)n1-c1ccccc1 84045548 SAJKXQNPUQZDGW-INIZCTEOSA-N 313.426 3.065 0 40 DGAB C[C@@H](Cc1ccoc1)NC(=O)c1cccc(Br)c1 84829354 LZMBDGGQARGUBQ-JTQLQIEISA-N 308.175 3.403 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)N[C@@H]2CCCc3occc32)C1 89870061 WMUVOEYLTGTTGR-GOEBONIOSA-N 319.449 3.077 0 40 DGAB CCc1ccc([C@@H](NC(=O)NCc2ccon2)C(C)(C)C)o1 95406332 JTFDUJZCRVLINT-CQSZACIVSA-N 305.378 3.417 0 40 DGAB O=C1N(CC2CC2)[C@H](c2csc(C3CC3)n2)NC12CCCC2 95408373 RQCJJSIQWMZKNO-CQSZACIVSA-N 317.458 3.174 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H]2CCO[C@H](C)C2)cc1C 95458138 FLZKJBDIBOQQIA-ZIAGYGMSSA-N 306.406 3.330 0 40 DGAB O[C@@H](c1ccc2c(c1)OCO2)c1ccccc1Br 95730098 FDXJBZASIMJWRO-AWEZNQCLSA-N 307.143 3.260 0 40 DGAB C[C@H](C(=O)Nc1ccc2c(cnn2C(F)F)c1)C1CCOCC1 95975139 NVPOJCJKTCXEOQ-JTQLQIEISA-N 323.343 3.433 0 40 DGAB CCc1cc(NC(=O)CCc2cnn(C)c2)c2ccccc2n1 95997567 FIXCQILDWXXUPM-UHFFFAOYSA-N 308.385 3.102 0 40 DGAB C[C@]1(C(=O)N2CCCCCC2)CC(c2ccccc2F)=NO1 96192685 QWBNETHHHYSLOJ-QGZVFWFLSA-N 304.365 3.111 0 40 DGAB COc1ccccc1[C@H](CNC(=O)/C=C/c1ccsc1)OC 96384774 CNGYCSQXCFMAAJ-WAVCKPEOSA-N 317.410 3.274 0 40 DGAB CN(C)c1ccc(Cl)cc1NC(=O)NCCc1cccnc1 96413424 IJNKWDSWICMSFH-UHFFFAOYSA-N 318.808 3.165 0 40 DGAB Cc1sc(=O)n(Cc2nnc(-c3cccc(Cl)c3)o2)c1C 96428933 ITPJDRTVZCRRDI-UHFFFAOYSA-N 321.789 3.278 0 40 DGAB Cc1ccc(Cl)c2ccc(NC[C@@]3(CCO)CCOC3)nc12 96496718 RMFFFCTUWZMLMJ-QGZVFWFLSA-N 320.820 3.398 0 40 DGAB O=C(Cn1ccnc1-c1cccs1)NCc1ccccc1F 97037381 VRRWUUGMMOUEAO-UHFFFAOYSA-N 315.373 3.067 0 40 DGAB Cc1noc([C@@H](C)SCc2nnc(C3CC3)n2C2CC2)n1 97083829 XVDRMMQTIVXVBU-MRVPVSSYSA-N 305.407 3.176 0 40 DGAB CCN(CC)[C@@H](CNc1nccc(OC)n1)c1ccsc1 97286645 ZPZDBSPZNLAEGK-ZDUSSCGKSA-N 306.435 3.042 0 40 DGAB CCN(Cc1ccoc1)C(=O)c1cc(Cl)c(O)c(OC)c1 97377917 ZKHMHVIRILUOPY-UHFFFAOYSA-N 309.749 3.310 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](Nc2ncnc3ccccc23)C1 98214185 FYMPGBPHCBIAAO-LBPRGKRZSA-N 314.389 3.051 0 40 DGAB OC1(c2ccc(F)cc2)C[C@H]2CC[C@H](C1)N2Cc1ccccn1 100159811 XHWFQYLHIBEOQQ-QZTJIDSGSA-N 312.388 3.235 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)O 100793587 SYDQUWUBPNHBMA-JQOWZUPLSA-N 311.381 3.011 0 40 DGAB O=C(OC[C@@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)n1cccn1 107348542 BPBVHCHPDFNBIB-LEUOFYLZSA-N 310.397 3.452 0 40 DGAB C[C@H](c1ccccc1F)N(C)C(=O)[C@@H]1CCC[C@H](C(=O)O)C1 108657269 QUNKEZSMBNOLRJ-UPJWGTAASA-N 307.365 3.236 0 40 DGAB C[C@]1(c2ccccc2)CC[C@@H](N2CCC(n3cncn3)CC2)C1 189826505 RLGYUUYQIYMJSI-MOPGFXCFSA-N 310.445 3.425 0 40 DGAB Cc1cccc([C@@H]2CCCN2C(=O)CCC(=O)OC(C)(C)C)n1 192396664 SQEVKSWEJZDNQO-HNNXBMFYSA-N 318.417 3.175 0 40 DGAB O=C(CCc1ccc(O)cc1)NC[C@H]1CCOc2ccccc21 195563006 WRVWCLFOPUWQMD-OAHLLOKOSA-N 311.381 3.007 0 40 DGAB O=C(NC[C@H](O)c1cccc(Cl)c1)OCc1ccccc1 199812173 BIVMIFLRWIVCQU-HNNXBMFYSA-N 305.761 3.300 0 40 DGAB O=C1NCCN1C(=O)N1CCCC[C@H](c2ccc(Cl)cc2)C1 206882313 HKXBQYHCUXFYSK-ZDUSSCGKSA-N 321.808 3.055 0 40 DGAB CC(C)N1CCC[C@@H]1c1cncc(-c2cccc(C(=O)O)c2)n1 257285578 PHVWJVBSQBZBFK-QGZVFWFLSA-N 311.385 3.387 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2cncc(Cl)n2)C1 257294322 QTOSITXTVUHATK-NSHDSACASA-N 311.813 3.320 0 40 DGAB Cn1ncc2ccc([C@@H]3CCCN(Cc4cccs4)C3)nc21 257328723 XGVSOIWORJMOHZ-CQSZACIVSA-N 312.442 3.409 0 40 DGAB CCOc1ccc(N(Cc2ccccc2C)S(C)(=O)=O)cc1 408623244 DXNSGSYCOXPUSZ-UHFFFAOYSA-N 319.426 3.360 0 40 DGAB COc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 409246860 FLQGVHIKVSRFFE-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB CCn1cnc2c(NCCc3ccc(Cl)cc3)ncnc21 517635707 BXYVZBOVLXRYIE-UHFFFAOYSA-N 301.781 3.154 0 40 DGAB CN(Cc1c(F)cccc1Cl)C(=O)C1(C(=O)O)CCCC1 566286220 IFKLMMCUADRGAM-UHFFFAOYSA-N 313.756 3.083 0 40 DGAB Cc1ncccc1OC[C@H]1CCCN1Cc1ccc2c[nH]nc2c1 576450455 HICROLSZUFSEQP-QGZVFWFLSA-N 322.412 3.310 0 40 DGAB CC(C)(C)OC(=O)Nc1cnn(C2CCNCC2)c1C(F)F 1554713324 QPZVJWQYMISDEO-UHFFFAOYSA-N 316.352 3.092 0 40 DGAB Cc1cnn(CC2CN(C(=O)c3ccc(C(C)(C)C)cc3)C2)c1 1848800595 GZRFLJXFBABDLR-UHFFFAOYSA-N 311.429 3.261 0 40 DGAB c1ccc(CCN2CCN(c3nc4cnccc4s3)CC2)cc1 1889186990 RMCWGTAJPPZDSK-UHFFFAOYSA-N 324.453 3.056 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccc(N2CCCC2=O)cc1 260261 ARCAUIMZZZFCSS-UHFFFAOYSA-N 312.413 3.434 0 40 DGAB Cc1sc(C)c([C@H]2C=CN=CN2)c1I 480761 MODBQEYIHCDMET-MRVPVSSYSA-N 318.183 3.156 0 40 DGAB Cn1c(SCc2ccccc2Cl)nnc1-c1cnccn1 525709 IYSWAECPRGIBLP-UHFFFAOYSA-N 317.805 3.218 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CC2)cn1)c1ccccc1Cl 1353408 JVDXEZUEYIQVDS-UHFFFAOYSA-N 315.760 3.336 0 40 DGAB COCCOC(=O)c1c(C)oc2ccc(OC(=O)C(C)C)cc12 2126600 JDGAXEAFGBICDV-UHFFFAOYSA-N 320.341 3.106 0 40 DGAB biogenic NCc1c(-c2ccc(Br)cc2)nc2sccn12 2510954 RBHGFZMBPWDIAR-UHFFFAOYSA-N 308.204 3.284 0 40 DGAB Cc1ccc(SCC(=O)Nc2sccc2C(N)=O)cc1C 2637323 RKVRRRRCSPDPOC-UHFFFAOYSA-N 320.439 3.195 0 40 DGAB CC(C)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)C[C@H](C)C2)cc1 2734532 ZIAKERNVJPYIDG-KBPBESRZSA-N 302.418 3.399 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)c(C)c1 3237800 NXHHBXRVMWGSCW-UHFFFAOYSA-N 309.365 3.050 0 40 DGAB NC(=O)CSc1cn(Cc2cccc(F)c2)c2ccccc12 4060719 UYHIYXOXHOUVEA-UHFFFAOYSA-N 314.385 3.406 0 40 DGAB C[C@@H](O)c1cccc(NS(=O)(=O)c2ccc(Cl)cc2)c1 4660765 SKXNDWHMFPVEGT-SNVBAGLBSA-N 311.790 3.194 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)N1CCc2ccccc2C1 4876056 XROSLWBORUQKNC-UHFFFAOYSA-N 305.381 3.080 0 40 DGAB CCOc1ccccc1C(=O)OCc1cc2ccccc2[nH]c1=O 5218457 KAVMWEMLFBPKMM-UHFFFAOYSA-N 323.348 3.284 0 40 DGAB COc1ccccc1CC(=O)Nc1ccccc1OC(F)F 5512255 BWNQUWLAOPYEIV-UHFFFAOYSA-N 307.296 3.478 0 40 DGAB Cc1sc2ncn(CC(=O)c3ccc(F)cc3)c(=O)c2c1C 6110685 BTNFLUNVJJBMBY-UHFFFAOYSA-N 316.357 3.097 0 40 DGAB CCOc1cc(C(=S)N2CCOCC2)ccc1OCC(C)C 6155519 FOXZJZOUPYQUBP-UHFFFAOYSA-N 323.458 3.128 0 40 DGAB Cc1ccc(-c2nc(CSc3n[nH]c(N)n3)cs2)cc1 6712999 VNCFGEJSJSTAFF-UHFFFAOYSA-N 303.416 3.111 0 40 DGAB O=C1CCCN1c1ccc(OCc2ccc3c(c2)OCO3)cc1 7063256 NCAFPUPIRIYBIZ-UHFFFAOYSA-N 311.337 3.121 0 40 DGAB CC(=O)Nc1ccc(OC(=O)COc2ccc(Cl)cc2)cc1 7066074 DRWQRBYGJQFQIH-UHFFFAOYSA-N 319.744 3.283 0 40 DGAB O=C(CN1CCC[C@H]1c1cccs1)NCCc1ccccc1 8184007 CZZJVXWDNZDUKN-INIZCTEOSA-N 314.454 3.244 0 40 DGAB Nn1c(SCc2cccc(C(F)(F)F)c2)nnc1C1CC1 8855900 SDBZABRWEXRTQY-UHFFFAOYSA-N 314.336 3.180 0 40 DGAB O=C1N[C@H](c2ccc(F)c(Br)c2)Nc2ccccc21 9549359 AADRIAGIRNHURV-CYBMUJFWSA-N 321.149 3.442 0 40 DGAB CC(=O)c1cc(CCC(=O)Nc2ccc3c(c2)OCO3)oc1C 9608020 GKGDWNNGBXUEGX-UHFFFAOYSA-N 315.325 3.091 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cnn(-c3ccccc3)c2)c1 9645137 LIWTXWFIBROPQO-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)c1ccc(Cn2cncn2)cc1 11202399 FJJKYMONRDOQMB-OAHLLOKOSA-N 320.396 3.160 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)cc(F)c2)cc1F 11385752 RBWOPPHPSZHKCW-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB COc1cc(NC(=O)CCC(C)C)ccc1N1CCCC1=O 12074265 RLAOPNQSYOHCFW-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB CCCCOC(=O)Cn1c(C(F)(F)F)nc2ccccc21 12410677 URINXLUSRDCBMW-UHFFFAOYSA-N 300.280 3.398 0 40 DGAB Cc1c(C(=O)NCC(F)(F)F)cnn1-c1ccc(Cl)cc1 12553574 VZCGZOUYPJQSAZ-UHFFFAOYSA-N 317.698 3.126 0 40 DGAB CCOC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1 12873874 JLBJUEQLIMYYMY-ZIAGYGMSSA-N 319.401 3.032 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(C)cccc2C(=O)O)cc1C 13464577 VVGFGKDNSGKFAJ-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1c(C)n(C2CCCCC2)c2ncn(CCN(C)C)c(=N)c12 13653996 WRZNZMHPMQPIPX-UHFFFAOYSA-N 315.465 3.001 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2ncc(C)s2)c1 13692164 TUEWFLKVHPHKIT-UHFFFAOYSA-N 315.398 3.444 0 40 DGAB CN(C)c1cccc(C(=O)n2cccc/c2=N\C2CCCCC2)c1 14903710 ZTHXDVLYOYISLL-XUTLUUPISA-N 323.440 3.476 0 40 DGAB NC(=S)N1N=C(c2ccc(F)cc2)C[C@H]1c1cccs1 15830544 MFIIBVJFPXSJJX-LBPRGKRZSA-N 305.403 3.282 0 40 DGAB CCN(C(=O)c1cc(C)nc2ccccc12)C1CCN(C)CC1 19657074 SZFPETVWBYWDNB-UHFFFAOYSA-N 311.429 3.100 0 40 DGAB C[C@H]1CN([C@H](CN)c2cccc(Cl)c2Cl)C[C@@H](C)O1 20009120 VWNPDOBODKGLFJ-GBIKHYSHSA-N 303.233 3.102 0 40 DGAB CC(C)[C@@H](CCNCCN1CCOCC1)c1ccc(Cl)cc1 20590732 MDTPLFLJCZRVKH-GOSISDBHSA-N 324.896 3.392 0 40 DGAB O=C(Cc1ccsc1)OCc1nc(-c2ccccc2)no1 23487237 LRDSJOXIMMELKK-UHFFFAOYSA-N 300.339 3.084 0 40 DGAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)nc1 24765590 LVBQIJXAQCXHRQ-JTQLQIEISA-N 313.382 3.075 0 40 DGAB COCc1ccccc1CNC(=O)Cc1ccccc1Cl 25302914 NXVVASZURCJVKG-UHFFFAOYSA-N 303.789 3.345 0 40 DGAB C[C@H](NC(=O)c1ccn(COc2ccccc2)n1)c1ccccc1 28229552 KVQFLNDUNBRFNJ-HNNXBMFYSA-N 321.380 3.411 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1ccn(Cc2ccccc2)n1 28247489 VXQCWNTYPZIUMV-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)Nc1ccc(CN(C)C)cc1 30861795 IRQHSWRXHFMUDT-OAHLLOKOSA-N 312.413 3.292 0 40 DGAB Cc1ccc(Oc2ccccc2NC(=O)[C@@H]2CCC(=O)N2)cc1 31294944 WMNKGDMKVSCGJE-HNNXBMFYSA-N 310.353 3.004 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)Cc2cc(Cl)cc3c2OCOC3)C1 32029502 DJBZQZAHOBLBFL-NHYWBVRUSA-N 323.820 3.444 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)NCCc2cccs2)cc1 32902497 QHMYNDJSMVZNQZ-RMKNXTFCSA-N 314.410 3.079 0 40 DGAB CC(C)=CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 33051901 GLLBXXRVWXDZSU-UHFFFAOYSA-N 307.415 3.308 0 40 DGAB COc1ccc(CC(=O)NCc2nc3ccccc3s2)cc1 36835625 LEFDWMQRQOBRRC-UHFFFAOYSA-N 312.394 3.164 0 40 DGAB CN1C(=O)CN2CCc3ccccc3[C@H]2c2cc(Cl)ccc21 37246129 YAQKGZXXQNKEET-SFHVURJKSA-N 312.800 3.264 0 40 DGAB in-man O=C(O)CSc1nc2ccccc2nc1N1CCCCCC1 37408022 BASCJVLIXXTWOK-UHFFFAOYSA-N 317.414 3.187 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N1c2ccccc2C[C@H]1C 39538649 BCFKGTXJOAGWGS-CYBMUJFWSA-N 318.376 3.091 0 40 DGAB O=C(NCCCc1ccccc1)[C@H]1CCCN1Cc1ccccc1 40158580 GOHSLVRYHIFWIE-HXUWFJFHSA-N 322.452 3.400 0 40 DGAB CC(C)CC[C@H](C)NC(=O)Nc1cccc(C(=O)N(C)C)c1 40526912 DKWHFTCBBIRMJJ-ZDUSSCGKSA-N 305.422 3.335 0 40 DGAB O=C(OCc1cccnc1)c1cc2c(nc3sccn32)s1 42619826 UISQBRVEEWPPSX-UHFFFAOYSA-N 315.379 3.363 0 40 DGAB O=C(Cn1ccc2ccccc21)Nc1cccc2nsnc12 44225144 CMXRSWLAJKYJRR-UHFFFAOYSA-N 308.366 3.285 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc(-c2cccc3ccccc23)[nH]n1 44839394 RJZUSCLUFJPXME-CQSZACIVSA-N 321.380 3.139 0 40 DGAB CCCNC(=O)[C@@H](C)SCc1nc(-c2ccc(C)cc2)no1 45821379 UKAPZLABFBTBOY-GFCCVEGCSA-N 319.430 3.193 0 40 DGAB NC(=O)c1ccc(NCCOc2ccccc2F)cc1Cl 46501001 CLJXQYUCNSRIDK-UHFFFAOYSA-N 308.740 3.069 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1oc2ccc(F)cc2c1C 52819790 VJFNZHGADGMRBC-ZDUSSCGKSA-N 304.365 3.094 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](CC(=O)O)c1ccccc1 57658259 SIJWNQUWKPGGLA-AWEZNQCLSA-N 313.353 3.282 0 40 DGAB COc1ccc(CN(C)C(=O)Nc2cccc(F)c2)cc1O 58244318 BWSMEQUCFLEEFW-UHFFFAOYSA-N 304.321 3.204 0 40 DGAB CC(C)CC[C@@H]1CCC[C@H]1Nc1nn2c(=O)ccnc2s1 58432533 SOIWRYFGSKKSDM-NWDGAFQWSA-N 306.435 3.168 0 40 DGAB CC(C)c1[nH]ncc1C(=O)OCc1cc(Cl)c2c(c1)OCO2 59955560 NUWTVDDNSSAWKL-UHFFFAOYSA-N 322.748 3.272 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(NC(=O)c2ccoc2)cn1 66510895 NREPGDKYZXUITD-UHFFFAOYSA-N 303.318 3.274 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3cc(C)cc(C)c3)oc12 67292608 MNMRPKYIXGYXDY-VZCXRCSSSA-N 322.364 3.390 0 40 DGAB COc1ccc(CN[C@H](c2ccccc2)c2nc(C)n[nH]2)cc1 69169026 JOTHVBSAFBSXCH-QGZVFWFLSA-N 308.385 3.001 0 40 DGAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H]1c1cnn(C)c1 69628191 LESWQYPLXUBCIY-SFHVURJKSA-N 322.412 3.047 0 40 DGAB c1ccc(-c2cnc(CN3CCC[C@@H]3Cn3cccn3)o2)cc1 69893084 MOBMIMCQFLTBCS-MRXNPFEDSA-N 308.385 3.203 0 40 DGAB Cc1cn2ccc(C(=O)Nc3ccc(N4CCCC4)cc3)cc2n1 71529205 ONRIWWRFIGAEQO-UHFFFAOYSA-N 320.396 3.495 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N2CCC(CO)CC2)cc1 71803469 QYSDHJMGZYXFCE-CYBMUJFWSA-N 322.474 3.274 0 40 DGAB C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]2c2ccco2)C[C@@H](c2ccccc2)O1 71836538 MJWMKDDPNZRZRH-VUNQQRPYSA-N 311.381 3.372 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)c2ccc3cc[nH]c3c2)c1 71865902 WBRPZEKWNONXGW-QGZVFWFLSA-N 322.412 3.368 0 40 DGAB COc1ccccc1Nc1ncccc1C(=O)Nc1cc(C)on1 71878491 YFAQMFQLCASOFG-UHFFFAOYSA-N 324.340 3.383 0 40 DGAB Cc1cccc(C)c1OCCCN1CCC(n2cncn2)CC1 71903162 MHTUMANFIGZHBU-UHFFFAOYSA-N 314.433 3.001 0 40 DGAB CCOC[C@H]1CCCN(C(=O)N[C@@H]2CCc3ccc(F)cc32)C1 71905360 LHNJVNXCYVHORZ-SUMWQHHRSA-N 320.408 3.271 0 40 DGAB CCCN1CCN[C@H](Cc2cccc(-c3ccccc3)c2)C1=O 72352730 BPFWVFULZROXGD-LJQANCHMSA-N 308.425 3.107 0 40 DGAB Cc1ccc(-c2noc([C@H]3CCN(Cc4cccnc4)C3)n2)cc1 72369982 ASGGXSIOFWYGLZ-KRWDZBQOSA-N 320.396 3.430 0 40 DGAB CCCN1CCC(NC(=O)Nc2ccc3c(c2)CCCO3)CC1 76069437 VOQMYPBEMYTIFT-UHFFFAOYSA-N 317.433 3.008 0 40 DGAB COc1ccc(-c2noc([C@@H]3C[C@@H]3c3cccnc3)n2)cc1OC 78773615 MTNKWECNGFMYTQ-ZIAGYGMSSA-N 323.352 3.420 0 40 DGAB CCn1cc([C@H]2OCC[C@@H]2CNCc2cccc3[nH]ccc23)cn1 78880582 WJUVALKYSXEMCN-BEFAXECRSA-N 324.428 3.252 0 40 DGAB CC(C)N(C)C(=O)NC[C@@H]1CCCC[C@H]1OCC(F)(F)F 86402914 GQVAYLNDQAGFSP-NWDGAFQWSA-N 310.360 3.174 0 40 DGAB C[C@H](C(=O)Nc1cccc2oc(C(F)(F)F)nc12)n1cccn1 89573967 XHHKLOAHJNYUJV-MRVPVSSYSA-N 324.262 3.243 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NCc2nncn2C(C)C)cc1 90037754 YFKAOWVLBSGYKO-AWEZNQCLSA-N 324.432 3.204 0 40 DGAB CC(C)c1cnc(-c2ccc(NC(=O)NC(C)(C)CO)cc2)o1 95410922 BAAGQUVGGXATCB-UHFFFAOYSA-N 317.389 3.357 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)S(=O)(=O)CC1(O)CCCCC1 95988323 RHXCJQNSVUBFAW-NSHDSACASA-N 318.385 3.136 0 40 DGAB CCn1cc(C(=O)N[C@@H](c2cc(F)ccc2F)C2CC2)cn1 96432690 WPUKZCJOOBXHGL-OAHLLOKOSA-N 305.328 3.062 0 40 DGAB Cc1cc(NC(=O)N2C[C@H](C)O[C@H](c3ccsc3)C2)no1 96469309 LYTHYUHEGHGIKD-JQWIXIFHSA-N 307.375 3.038 0 40 DGAB CC1(CNc2nnc(Cc3ccccc3F)o2)CCOCC1 97102139 QMISWTCZSIYVMW-UHFFFAOYSA-N 305.353 3.028 0 40 DGAB Cc1ccc([C@@H](C)NCC(=O)N2CCC[C@H](C(F)(F)F)C2)o1 97373997 YOTPKVHCBROHRC-NEPJUHHUSA-N 318.339 3.040 0 40 DGAB CC(C)(C)c1cc(/C=C2/NC(=O)NC2=O)cc(C(C)(C)C)c1O 101383224 AVKZHMHSYRISOT-UKTHLTGXSA-N 316.401 3.168 0 40 DGAB O=C(NCCc1ccccn1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 103579951 BOFYPXBCNQCVKZ-JDPPGYRCSA-N 318.848 3.318 0 40 DGAB CN(C)c1nc(N)c(Cc2cccc(Br)c2)s1 103700451 BAFMUHKECMPZBT-UHFFFAOYSA-N 312.236 3.145 0 40 DGAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)[C@@H]1C[C@H]2CC[C@H]1C2 104105487 GRYUGPXMSBXWJZ-XSWJXKHESA-N 309.413 3.427 0 40 DGAB CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(Cl)s1 222723529 ZXSYDIJIUYERMO-RYUDHWBXSA-N 309.847 3.399 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)COc2ccccc2)cc1C 223493602 MYWJEMPBBIGWRO-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB Cc1cc(Br)cnc1NC(=S)NC(C)(C)C 223881597 SCVMKGNSOMGFOA-UHFFFAOYSA-N 302.241 3.237 0 40 DGAB COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@@H]3C4)CC2)cc1 224087318 XSVHECDLKBVVBE-QRVBRYPASA-N 312.457 3.025 0 40 DGAB CCCC[C@@H](CC)CNS(=O)(=O)Cc1ccc(F)cc1 224183959 UORUPXKNDDBSMB-CYBMUJFWSA-N 301.427 3.462 0 40 DGAB C[C@H]1C[C@@H](C)CN(C[C@@H](O)COCC2=CC[C@H]3C[C@H]2C3(C)C)C1 241965644 UUSLBHXQPNJXLF-BSWVEEBUSA-N 321.505 3.334 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1CCc1ccncc1 257232962 GNDBRHVGVPDJNE-OAHLLOKOSA-N 320.396 3.195 0 40 DGAB Cc1cc(-c2ccccc2C(=O)O)nc([C@H]2CCCCN2C)n1 257285580 PHVYKKHKKNGZMF-MRXNPFEDSA-N 311.385 3.307 0 40 DGAB COCCN1C(=O)S/C(=C\c2ccccc2OC(C)C)C1=O 409338146 DWDRNPXEXPNJQL-UVTDQMKNSA-N 321.398 3.157 0 40 DGAB Cc1cccc(-c2ccc(C[C@]3(C(=O)N(C)C)CCCN3)cc2)c1 953049263 FZRDPSIMNVECOZ-NRFANRHFSA-N 322.452 3.415 0 40 DGAB C[C@@H]1CN(c2ccccc2)CCN1C(=O)c1cccnc1Cl 1550006563 MPQHLYUJBPUAEG-CYBMUJFWSA-N 315.804 3.086 0 40 DGAB Cn1nccc1[C@@H]1CCCCN1C(=O)/C=C/c1cccs1 1775966458 FSNFHANGEPOHIO-KIUWMYQTSA-N 301.415 3.249 0 40 DGAB Cc1ccc(C(=O)N2CC(Cn3ccnc3C(C)C)C2)s1 1849636746 ZYMUKUKBFUUDLT-UHFFFAOYSA-N 303.431 3.149 0 40 DGAB FC(F)(F)c1ccc(N2CC(COc3cccnc3)C2)cn1 2298048967 VVBRBHUCTRNEBJ-UHFFFAOYSA-N 309.291 3.011 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NCc1cccs1 129909 CDQOXNFHMMHVGV-UHFFFAOYSA-N 301.820 3.021 0 40 DGAB COC(=O)C(CC(=O)c1ccccc1)CC(=O)c1ccccc1 506865 UZPNYAPYXULUSH-UHFFFAOYSA-N 310.349 3.322 0 40 DGAB COc1ccc(OC)c(NC(=O)/C=C/c2ccc(F)cc2)c1 512641 MQKFFRJYAPQPGO-BJMVGYQFSA-N 301.317 3.495 0 40 DGAB CC(C)NC(=O)CSCc1ccc(Br)cc1 582887 DQSJKXWWFHBXFP-UHFFFAOYSA-N 302.237 3.207 0 40 DGAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccccc1Cl 789812 NSEVIPBEZZUTJR-UHFFFAOYSA-N 307.684 3.463 0 40 DGAB CN1CCc2c(sc3c2C(O)=N[C@H](c2cccs2)N3)C1 1249963 GIWGUGKYSSLEOP-LBPRGKRZSA-N 305.428 3.226 0 40 DGAB CCCc1nc(SCC(=O)N2CCCC2)c2ccccc2n1 1342698 JNFHBRYMDHBLQB-UHFFFAOYSA-N 315.442 3.297 0 40 DGAB CCCC[C@H]1SC2=NCCN2[C@@]1(O)c1ccc(Cl)cc1 1575114 OFULIMNERCHOMM-UKRRQHHQSA-N 310.850 3.462 0 40 DGAB CNC1=Nc2ccc(Cl)cc2[C@@H](c2ccccc2)N(O)C1 1677758 YMPXMTJJHMOCFO-MRXNPFEDSA-N 301.777 3.384 0 40 DGAB CCN(CC)CCNC(=O)C(c1ccccc1)c1ccccc1 1734035 HQVIMCDEPSJKLO-UHFFFAOYSA-N 310.441 3.277 0 40 DGAB CCOc1ccccc1NC(=S)NC(=O)c1ccc(F)cc1 2134987 AEPNSDFSJLNKLZ-UHFFFAOYSA-N 318.373 3.351 0 40 DGAB COc1ccc2c(c1)c1ncnc(N3CCC[C@@H](C)C3)c1n2C 2364950 BZPZXJHVBRCMSD-GFCCVEGCSA-N 310.401 3.366 0 40 DGAB O=C(CCSc1ccc(Cl)cc1)NC1=NCCS1 2623081 HXGSPKPWVAKHDF-UHFFFAOYSA-N 300.836 3.041 0 40 DGAB O=C(COC(=O)c1ccccc1)Nc1ccc(Cl)cc1F 3231398 YNRIPKLNBNWOIQ-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)cc1F 3316995 ACNFKUOGSLBQAI-UHFFFAOYSA-N 307.346 3.300 0 40 DGAB CNc1ccccc1C(=O)OCC(=O)c1c[nH]c2ccccc12 3441414 LYFHULBWJOXJFX-UHFFFAOYSA-N 308.337 3.249 0 40 DGAB O=C(CNCc1cccs1)Nc1ccccc1C(F)(F)F 4454852 PIELTTSFDORNLN-UHFFFAOYSA-N 314.332 3.495 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]1C(=O)Nc1ccc(Cl)cc1)C21CC1 4477881 ASDPUUJYSFIGGI-RQJABVFESA-N 317.772 3.192 0 40 DGAB O=c1nc(SCc2c(F)cccc2Cl)nc2ccccn12 4499799 MVBHLGJXINMKDR-UHFFFAOYSA-N 321.764 3.174 0 40 DGAB CCCCNC(=O)c1csc(Nc2ccc(OC)cc2)n1 4674879 QINGKFQGOHQQJM-UHFFFAOYSA-N 305.403 3.425 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2c(C)noc2C)cc1C 5197147 ZJUKZIWPMIRYAQ-ZDUSSCGKSA-N 301.342 3.336 0 40 DGAB COc1ccc(-c2nnc(SCC(=O)C(C)(C)C)n2C)cc1 5848725 NBQZMGFOLLJAFR-UHFFFAOYSA-N 319.430 3.198 0 40 DGAB COc1cc(C)c(NC(=O)c2cccnc2SC)cc1OC 6259187 KLWMGNPKSWSTPV-UHFFFAOYSA-N 318.398 3.381 0 40 DGAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccccc2O)no1 6873314 CJKQCHCJDZSBDN-UHFFFAOYSA-N 308.337 3.319 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCCSCc1ccco1 7015343 KCIXQDZPCYBKBB-UHFFFAOYSA-N 314.410 3.353 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc(N2CCCC2)cc1 7951431 JBAVIJOXOBOGOF-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB O=C(NCc1ccccc1F)[C@H]1COc2ccc(Cl)cc2C1 7960904 QZUDVXPLOYBDMM-CYBMUJFWSA-N 319.763 3.347 0 40 DGAB COc1ccc(NCc2cc3cc(OC)ccc3[nH]c2=O)cc1 8579195 MLNPHRCUBXIGFA-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB COC(=O)c1ccc2nc(C)c(CN3CCCCC3)c(O)c2c1 8714039 JXOLXNLDPDQLJQ-UHFFFAOYSA-N 314.385 3.021 0 40 DGAB Cc1ccc2oc(C(=O)NCc3c(F)cccc3F)cc2n1 8798609 CLFJLLPLSFAQIH-UHFFFAOYSA-N 302.280 3.344 0 40 DGAB Cc1nn(CC(C)C)c(C)c1CC(=O)NCc1ccc(F)cc1 9497279 YWVGFQYNGOSHQX-UHFFFAOYSA-N 317.408 3.154 0 40 DGAB CC(C)Cc1ccc([C@@H](C)C(=O)N[C@@H](CC(C)C)C(N)=O)cc1 12401496 JGBGRKVWIMSUHP-PBHICJAKSA-N 318.461 3.005 0 40 DGAB Cn1ncc2c(N[C@@H]3CCSc4c(F)cccc43)ncnc21 12486711 YBUTZYIXIGMHSZ-GFCCVEGCSA-N 315.377 3.151 0 40 DGAB S=C(NCc1ccccc1)Nc1ccc(Br)cn1 13838097 YHWFOMNJJYBDNP-UHFFFAOYSA-N 322.231 3.331 0 40 DGAB COc1cc(NC(=O)c2ccc(C)c(OC)c2)cc(OC)c1 14167118 QFBIVGWVXDWDGJ-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB CC(C)[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 16027000 FIPVFXKEYUCTQL-INIZCTEOSA-N 311.385 3.471 0 40 DGAB CN1N=C(C(=O)Nc2ccc(Oc3ccccc3)cc2)CCC1=O 16705651 GMKGGOIRJAVKLT-UHFFFAOYSA-N 323.352 3.026 0 40 DGAB O=C(NCCc1ccco1)c1ccc(Br)cc1F 17910403 JIZWGWYRSCEMOA-UHFFFAOYSA-N 312.138 3.154 0 40 DGAB Cc1cc(C)cc(Nc2nc3ccccc3n3c(N)nnc23)c1 20059004 OSMHKVXZLWPVCH-UHFFFAOYSA-N 304.357 3.220 0 40 DGAB CCc1ccc2c(CC(=O)NCCc3ccccn3)coc2c1 21044936 RPFWZLDPUGVVIA-UHFFFAOYSA-N 308.381 3.292 0 40 DGAB COc1ccc([C@H](CNC(=O)c2sccc2C)N(C)C)cc1 22414226 UPFSSJQFYGTSKQ-HNNXBMFYSA-N 318.442 3.098 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1ccc(Cl)nc1 23689303 MYBIVCLCXQQGLL-UHFFFAOYSA-N 317.776 3.127 0 40 DGAB Cc1cc(COC(=O)c2cc(C3CC3)nc3onc(C)c23)no1 24969121 QVMCRQFBQCJCRL-UHFFFAOYSA-N 313.313 3.062 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221053 OHEIXLBMIIKYCY-UKRRQHHQSA-N 308.853 3.467 0 40 DGAB C[C@H](Nc1ccc2c(c1)CCO2)C(=O)Nc1ccc(Cl)cn1 28342973 QUXCPQNIPYYWJJ-JTQLQIEISA-N 317.776 3.109 0 40 DGAB CC(=O)c1sc(NC(=O)[C@@H]2C[C@H]2c2ccccc2)nc1C 28573099 HAYVAGVGKRZPSS-QWHCGFSZSA-N 300.383 3.396 0 40 DGAB CC(C)c1n[nH]c(S[C@H](C)c2nc(-c3ccco3)no2)n1 29739157 CQBMBSPPFSCWRP-MRVPVSSYSA-N 305.363 3.424 0 40 DGAB O=C(Nc1cccc2cn[nH]c12)c1ccn(-c2ccc(F)cc2)n1 30869224 KOLYNVAEPRAXGT-UHFFFAOYSA-N 321.315 3.140 0 40 DGAB O=C(NCCCOCc1ccccc1)NCc1ccc(F)cc1 31037630 ANBKAWKHKSHNDP-UHFFFAOYSA-N 316.376 3.232 0 40 DGAB COc1ccc2ccccc2c1CNC(=O)c1cc(C2CC2)[nH]n1 31190102 ZSMHCBYDWSMNTG-UHFFFAOYSA-N 321.380 3.379 0 40 DGAB O=C(c1cnccn1)N1CCC[C@H]1c1nc2ccccc2s1 31389352 AODMMPBOPLGGBA-ZDUSSCGKSA-N 310.382 3.064 0 40 DGAB CCCCNCc1ccc(Oc2nnnn2-c2ccccc2)cc1 32616942 QYJPPSQLTAGLLC-UHFFFAOYSA-N 323.400 3.344 0 40 DGAB O=C(NCc1ccccc1)c1cccc(-n2cc[nH]c2=S)c1 32628437 ZSRVMUIXFOJUDM-UHFFFAOYSA-N 309.394 3.465 0 40 DGAB in-vitro CCCCCNC(=O)NCC(=O)Nc1cccc(Cl)c1C 32795108 VQKVIGKEYOKMJL-UHFFFAOYSA-N 311.813 3.076 0 40 DGAB COc1ccc(C)cc1CCNC(=O)N[C@@H]1CCCC[C@@H]1C 32862898 SHWXEELVULJFTQ-GOEBONIOSA-N 304.434 3.424 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H]1c1ccncc1 32907463 CEVZUUAKDUBVKV-AWEZNQCLSA-N 302.761 3.418 0 40 DGAB O=C(CCc1ccco1)Nc1ccc(OCC(F)(F)F)nc1 32931157 MQLANMWRRNEPQW-UHFFFAOYSA-N 314.263 3.187 0 40 DGAB Cc1nccn1C[C@H](O)COc1ccc(-c2ccccc2)cc1 35170673 GKCMHCVNBWPDEK-SFHVURJKSA-N 308.381 3.298 0 40 DGAB CN(C)c1ccc(C(=O)NCCOc2cccc(Cl)c2)cc1 36391280 YATNZCAAZMKYHU-UHFFFAOYSA-N 318.804 3.215 0 40 DGAB Nc1ccc(Br)cc1C(=O)OCCc1ccccc1 39951677 JKBKYJKZULIJMP-UHFFFAOYSA-N 320.186 3.431 0 40 DGAB O=C1Nc2ccccc2[C@@H]1Cc1cccc(Br)n1 40267744 FTJSCSOZNXJFCG-NSHDSACASA-N 303.159 3.123 0 40 DGAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)C1=COCCO1 40457537 DCNIMHHEYNXVRX-BQYQJAHWSA-N 308.337 3.079 0 40 DGAB CCOc1ccccc1/C=C/C(=O)Nc1ccc(C(N)=O)cc1C 40513609 TXHVWLADEAKXCO-PKNBQFBNSA-N 324.380 3.145 0 40 DGAB Cc1n[nH]cc1CNc1ncnc2sc3c(c12)CC[C@@H](C)C3 48364825 QACBLBGVOUKFOZ-SECBINFHSA-N 313.430 3.460 0 40 DGAB Cc1cc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c2c(C)noc2n1 54375455 VEIJEWDCLHFMOT-ZIAGYGMSSA-N 313.401 3.492 0 40 DGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)CC1CCCCC1 55448269 KYPGXDHSENTGOI-PMPSAXMXSA-N 307.434 3.290 0 40 DGAB Cc1cc([C@H](C)NCc2c(C)nn(C)c2N(C)C)c(C)s1 58391811 YMSPJTLUETVBLW-NSHDSACASA-N 306.479 3.324 0 40 DGAB CCN(CC(=O)Oc1ccc(NC(C)=O)cc1)c1ccccc1 58418862 YOTBNIDEMIFLTC-UHFFFAOYSA-N 312.369 3.077 0 40 DGAB CCCC[C@H](CC)CNS(=O)(=O)Cc1ccccc1F 60357318 WLCURRBFCCGFKO-ZDUSSCGKSA-N 301.427 3.462 0 40 DGAB CCc1noc(C)c1C(=O)Nc1ccc(Oc2ncccn2)cc1 65475569 FUKADOLTAXIXGL-UHFFFAOYSA-N 324.340 3.380 0 40 DGAB CCNC(=O)c1cn(-c2ccccc2)nc1-c1ccc(OC)cc1 65514983 OSJFSYCMTMANEB-UHFFFAOYSA-N 321.380 3.298 0 40 DGAB CCc1csc(CN[C@H]2CCc3ccc(OC)cc3C2)n1 67785072 HFMARCXUBWUAEW-HNNXBMFYSA-N 302.443 3.361 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)Nc2ccc3oc(C4CC4)nc3c2)cn1 68251174 ODQNNMYBXSXZBL-UONOGXRCSA-N 322.368 3.181 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H]1Cn1cccn1 69741922 DPLNICZWQIOXHK-CQSZACIVSA-N 315.442 3.128 0 40 DGAB Cn1c(CN[C@@H](c2ccc(F)cc2)C2CCC2)nnc1C1CC1 69845157 ILEMOGGZNYTSDY-QGZVFWFLSA-N 314.408 3.463 0 40 DGAB O=C(c1cc2c(F)cccc2[nH]1)N1CCO[C@H]2CCCC[C@@H]21 71821213 QPQDXDHOJDSODB-HOTGVXAUSA-N 302.349 3.091 0 40 DGAB COc1ccccc1C(=O)Nc1cc(N(C)C)c(N)cc1Cl 72229546 QLRZXCKMGAEUHF-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB C[C@H]1CCCN1CC(=O)Nc1cccc(COCC2CC2)c1 73081912 BZCWRQSNQWFXMQ-AWEZNQCLSA-N 302.418 3.036 0 40 DGAB CCc1ccsc1C(=O)Nc1ccc(S(C)(=O)=O)cc1C 74629303 KRVSTLDJKCMSPQ-UHFFFAOYSA-N 323.439 3.275 0 40 DGAB CSc1cccc(NC(=O)COc2cccc([C@H](C)O)c2)c1 75094577 UMQSKGXNHDLQGQ-LBPRGKRZSA-N 317.410 3.479 0 40 DGAB CSC[C@@H](CCO)NC(=O)Nc1cccc(Cl)c1Cl 77659279 ZUNWLHXLRGSHOD-MRVPVSSYSA-N 323.245 3.229 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2ccc3c(c2)nnn3C)cc1 79105527 KJUFAVFZTUHBHJ-GOSISDBHSA-N 322.412 3.314 0 40 DGAB O=C(NC1CC1)N(CCN1CCCC1)Cc1ccc(Cl)cc1 79107187 QRRMWDISTKXAIR-UHFFFAOYSA-N 321.852 3.110 0 40 DGAB COc1cc(N[C@@H]2CCCN(C(=O)CC(C)C)C2)cc(OC)c1 79111540 PFFWACDHWRTITC-CQSZACIVSA-N 320.433 3.153 0 40 DGAB CCN(CC)C(=O)Nc1cc(OC)ccc1Br 79334939 NRAIRTWZVBSWIF-UHFFFAOYSA-N 301.184 3.331 0 40 DGAB O=C(NCCc1cccnc1)N1CCSC2(CCCCC2)C1 80066616 JZQOZCXNIFKIIC-UHFFFAOYSA-N 319.474 3.085 0 40 DGAB CCc1noc(CC)c1CC(=O)N(c1cccnc1)C(C)C 87200687 YLMPJINHFVNDJO-UHFFFAOYSA-N 301.390 3.179 0 40 DGAB Cc1cc(NC(=O)CN2c3ccccc3CC[C@H]2C(C)C)on1 89608777 KXVXXRYJWNETPI-HNNXBMFYSA-N 313.401 3.399 0 40 DGAB O=C(CCc1ccccc1)Nc1nc(CCc2ccccc2)n[nH]1 95116139 NQMHIFUNLPRTFL-UHFFFAOYSA-N 320.396 3.161 0 40 DGAB CCC(=O)Nc1nnc(CCOc2ccc(C)c(C)c2)s1 95116426 IGJRSIBSUIXZCU-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB O=S(=O)(CCc1ccccc1)N1CCCCc2ccccc21 95364933 XQXYJWGRCNFKMP-UHFFFAOYSA-N 315.438 3.402 0 40 DGAB CSC[C@@H](NC(=O)NCc1ccc(C)nc1)c1ccccc1 95399014 FIZMLOQZZRGEGH-MRXNPFEDSA-N 315.442 3.294 0 40 DGAB CCOc1cccc([C@H]2C[C@@H]2Nc2cc(-n3ccnc3)ncn2)c1 95463043 RDCJETLOISJFHF-CVEARBPZSA-N 321.384 3.029 0 40 DGAB Brc1ccc(-c2ccnc3nc(C4CC4)nn23)s1 95473996 HKABJBCEUFILIA-UHFFFAOYSA-N 321.203 3.493 0 40 DGAB CCc1cc(NC(=O)/C=C/COCc2ccccc2)nc(C)n1 95941722 HFUCXWLXLIRRFE-JXMROGBWSA-N 311.385 3.059 0 40 DGAB COc1ccc2c(c1)[C@H](NC[C@H](O)c1ccsc1)CCCO2 95968291 ZOHKSHNINHQTOI-CVEARBPZSA-N 319.426 3.294 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(C(=O)O)c(Cl)c1 95969671 HTVMTWATQBZIQP-SSDOTTSWSA-N 322.748 3.385 0 40 DGAB CCS(=O)(=O)CCS[C@@H]1CCc2c(F)cc(F)cc21 95982021 SNCYWOGQCOZZGL-CYBMUJFWSA-N 306.399 3.120 0 40 DGAB COc1ccc(C(=O)CCC(=O)N2CCCC2(C)C)cc1F 96459219 SQQLCFJUWLHZDF-UHFFFAOYSA-N 307.365 3.198 0 40 DGAB Cc1cc(C)n(C[C@H](C)CN[C@H](C)c2cnn(C(C)C)c2)n1 96476629 RWMXGOZQJTUSCI-CZUORRHYSA-N 303.454 3.264 0 40 DGAB Cc1csc([C@H](NC(=O)c2ccc(C(=O)O)cc2)C2CC2)n1 96479856 BIDIYXDTNANKGQ-CYBMUJFWSA-N 316.382 3.031 0 40 DGAB COC(=O)[C@H](N)CSC(c1ccccc1)c1ccccc1 98181640 DNLBQBYLDNFKGK-OAHLLOKOSA-N 301.411 3.010 0 40 DGAB CCc1nn2c(O)cc(COC)nc2c1-c1ccc(Cl)cc1 100163403 BWVGRZLSMWINHE-UHFFFAOYSA-N 317.776 3.464 0 40 DGAB CCN1C(=O)[C@@H](Cc2cc(OC)ccc2OC)c2ccccc21 101014400 NMQUVTACCQRELS-INIZCTEOSA-N 311.381 3.397 0 40 DGAB CC(C)c1noc([C@H](C)N2CCO[C@H](c3cccs3)C2)n1 157822177 WAILRKFUWJGGHR-RYUDHWBXSA-N 307.419 3.389 0 40 DGAB CC(C)[C@H](N[C@@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F 182136722 ARZOXSNVATYEHM-HZMBPMFUSA-N 321.845 3.199 0 40 DGAB COC(=O)c1cccc(-c2nc3cc(C(=O)OC)ccc3o2)c1 216793316 KYYPHKYPGDFXBG-UHFFFAOYSA-N 311.293 3.068 0 40 DGAB Cc1ccccc1OCC(=O)Nc1nnc(SC(C)C)s1 225721040 XNHIRZRQIFEVKM-UHFFFAOYSA-N 323.443 3.365 0 40 DGAB O=C(NCc1ccc(-c2cccnc2)nc1)c1ccccc1F 225763913 XRDXQMXGWVUSCT-UHFFFAOYSA-N 307.328 3.213 0 40 DGAB Cc1ccccc1CN1CC2(C[C@H](Oc3cccnc3)CCO2)C1 248165024 RDTDJYDEJUPGHY-GOSISDBHSA-N 324.424 3.202 0 40 DGAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3cccs3)C2)n1 257199586 AAAJLDMBFADSRZ-CYBMUJFWSA-N 315.442 3.147 0 40 DGAB Cn1ccnc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 257278557 OCRYBMARKRHVFE-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB O=C(c1ccc(F)cc1F)N1CCC(Cc2ccncc2)CC1 257319762 VTYUYXBVFXXJIC-UHFFFAOYSA-N 316.351 3.455 0 40 DGAB Cn1cc2c(n1)-c1ccn(C)c1CN(Cc1ccc(F)cc1)C2 306123170 AGCDGNPNCVEVOS-UHFFFAOYSA-N 310.376 3.081 0 40 DGAB c1ccc(-c2cnc3n2C[C@H]2CN(Cc4ccoc4)C[C@@H]2C3)cc1 306133953 NAFLIOPQGUPNNO-ZWKOTPCHSA-N 319.408 3.447 0 40 DGAB Cc1cccc(-c2cnc3n2CCN(C(=O)c2ccc(C)o2)C3)c1 306139666 TWZWZBBUWIFREM-UHFFFAOYSA-N 321.380 3.416 0 40 DGAB c1cncc(CO[C@@H]2CSC3(C2)CN(CC2CCCC2)C3)c1 585103952 FAKAGKKVOVNDEC-KRWDZBQOSA-N 318.486 3.348 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Br)c(Cl)c1 1083806277 CVNGMMJQYDYSGZ-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB CCCCO[C@H]1C[C@@H](NC(=O)c2cccn3nccc23)C1(C)C 1543531989 BLBGLKLUZFRNHI-CVEARBPZSA-N 315.417 3.048 0 40 DGAB O=C(NC1CC2(CCN(Cc3ccccc3)CC2)C1)OCCF 2056226747 YYPJNKATFUEAMR-UHFFFAOYSA-N 320.408 3.127 0 40 DGAB CCOc1ccccc1OCC(=O)N(C)Cc1ccc(F)cc1 47078190 UQEMLSSFLCGORZ-UHFFFAOYSA-N 317.360 3.262 0 40 DGAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)cc1F 12488734 BZSMQLPMKUOLSU-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)c1ncoc1[C@@H]1CCCO1 79013991 MPHQCWGWINSRTC-UPJWGTAASA-N 306.406 3.471 0 40 DGAB CCNC(=O)c1cc(-c2ccc(OC)cc2)n(-c2ccccc2)n1 42566237 MBSQVUCTQPITDQ-UHFFFAOYSA-N 321.380 3.298 0 40 DGAB C[C@H](NC(=O)c1ccccc1-n1cccn1)[C@@H]1C[C@H]2CC[C@H]1C2 105668294 XQUQYJXZBKUKAX-JKQORVJESA-N 309.413 3.427 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(OC)c([N+](=O)[O-])c2)C1=O 6656967 IXKMWHOFXLQXMB-XYOKQWHBSA-N 322.342 3.050 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2ccccc2F)cc1 7217486 YHBLMMAGMUEOTD-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB CCOC(=O)c1c(NC(=O)c2cc(CC)on2)sc(C)c1C 8592844 FXUUILPGDSAHRV-UHFFFAOYSA-N 322.386 3.344 0 40 DGAB c1ccc(-c2nnc(Nc3ccc(N4CCOCC4)cc3)[nH]2)cc1 8904535 QSGQPHIVFLZUDP-UHFFFAOYSA-N 321.384 3.052 0 40 DGAB O=C(C=C1CCCCC1)N(Cc1cccnc1)C[C@H]1CCCO1 56985347 UPFBMSGKSNWXMR-GOSISDBHSA-N 314.429 3.480 0 40 DGAB CCOC(=O)[C@H]1[C@@H]2C[C@H]([C@]3(C)C[C@H]3C(=O)OCC)CC[C@]21C 104051773 DVMQQAMKHPKYQE-RACNXDKBSA-N 308.418 3.191 0 40 DGAB c1cnc(-n2cccn2)c(NCc2cnc3ccsc3c2)c1 97114452 POTIPKBVIQQLSS-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB CCN(C(=O)CSc1ccc(C(F)(F)F)cn1)C1CC1 44545572 DLAXHNQZARLHSU-UHFFFAOYSA-N 304.337 3.203 0 40 DGAB CC[C@@H](C)NC(=O)[C@H](NC(=O)c1ccccc1Cl)C(C)C 36022401 ZSJSVCGUSBTCKC-BXUZGUMPSA-N 310.825 3.009 0 40 DGAB Cc1nn(C)c2c(N3CCc4ccccc4C3)nc(C3CC3)nc12 57356013 ZSWURDDCJLIEOD-UHFFFAOYSA-N 319.412 3.112 0 40 DGAB COCCCNC(=O)CCc1ncc(-c2ccccc2Cl)o1 27689888 YPRZWXMTDSVCJX-UHFFFAOYSA-N 322.792 3.080 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(F)c1)[C@@H]1C=C[C@@H]2C12CC2 100950136 LHZZXNXZKJHZKB-NUZBWSBOSA-N 317.747 3.181 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2cc3cc(Cl)ccc3o2)n1 58246275 MXOGUVRXHKYKQW-SSDOTTSWSA-N 305.721 3.269 0 40 DGAB O=C1N[C@H](c2cc(Br)cs2)Oc2ccccc21 2232830 SGMPMXZOYIJSJW-LBPRGKRZSA-N 310.172 3.332 0 40 DGAB CCNc1nc(CSc2ccccn2)c(C(=O)OCC)s1 36615218 WJAFRYWUENZRJG-UHFFFAOYSA-N 323.443 3.439 0 40 DGAB COC(=O)Nc1ccc(NC(=O)N2C[C@H](C)C[C@@H](C)C2)cc1 84686271 SLYKMPWJJKSEAP-VXGBXAGGSA-N 305.378 3.375 0 40 DGAB CC(C)n1cnnc1S(=O)(=O)Cc1ccc(C(C)(C)C)cc1 48354434 MWRNDYCRXBIUJX-UHFFFAOYSA-N 321.446 3.130 0 40 DGAB Cc1cc(NC(=O)c2cccnc2)ccc1-c1ccc(CO)o1 20143479 SUMZGMAMROCEEC-UHFFFAOYSA-N 308.337 3.395 0 40 DGAB COc1ccccc1[C@H](N)C(=O)N(C)Cc1ccc(Cl)s1 95427987 RRQYPFWXHXADHY-AWEZNQCLSA-N 324.833 3.069 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)c(C)c1 3424919 RYKLABZDJQGQKN-OAHLLOKOSA-N 311.381 3.338 0 40 DGAB CC(C)CCN1Cc2cc(Br)ccc2OCC1=O 65184412 ZRRJBKJBFONQRO-UHFFFAOYSA-N 312.207 3.216 0 40 DGAB Cc1ccc(-c2nc(CN3CCn4ccnc4C3)co2)c(C)c1 97201126 LOZQUUWYLXNMHK-UHFFFAOYSA-N 308.385 3.171 0 40 DGAB O=C(Nc1cccc(I)c1)c1ccco1 6284940 RRSJDTFUXOKDFG-UHFFFAOYSA-N 313.094 3.137 0 40 DGAB CCc1ccc(C(=O)N2CCc3ccccc3[C@H]2C(=O)O)cc1 95955623 KSCPGPNNAZSPNH-KRWDZBQOSA-N 309.365 3.073 0 40 DGAB O=C(Nc1cccc(I)c1)C1CCC1 5443539 IAWAUYPGACMPQS-UHFFFAOYSA-N 301.127 3.030 0 40 DGAB Cc1ccc(OCC(=O)c2c(O)c3ccccc3oc2=O)cc1C 5730602 CGQJJPRMCYZMBU-UHFFFAOYSA-N 324.332 3.377 0 40 DGAB O=C(c1ccco1)N(Cc1ccccc1F)C[C@H]1CCCO1 28250904 KOXVEXCNSXBEIX-CQSZACIVSA-N 303.333 3.240 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1 9450586 APPDUSNYGPPCQQ-OAHLLOKOSA-N 308.809 3.282 0 40 DGAB CC(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)CCC2)c1ccccc1 7802119 PAUFBAKVBMXXOQ-IBGZPJMESA-N 322.408 3.381 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cc(Cl)c2c(c1)OCO2 9548796 YVDALISEQDRXGU-UHFFFAOYSA-N 315.716 3.197 0 40 DGAB O=C(NCCc1nc(-c2ccccn2)cs1)[C@@H]1CC=CCC1 71893143 DJAPXXYMNHTAQN-CYBMUJFWSA-N 313.426 3.220 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NCCCc2c[nH]c3ccccc23)c1 71886458 AUHAILQTTIUFNE-UHFFFAOYSA-N 309.369 3.061 0 40 DGAB CCOc1ncccc1NC(=O)[C@@H]1C[C@@H]1c1ccccc1OC 69392941 FAGVSVCQAOFGOX-ZIAGYGMSSA-N 312.369 3.231 0 40 DGAB COc1cccnc1NC(=O)c1cc(C2CC2)n(C(C)(C)C)n1 69370222 QGMXRABCKSWEQA-UHFFFAOYSA-N 314.389 3.171 0 40 DGAB C[C@@H](CCc1ccco1)NC(=O)c1ccc2c(c1)OCCCO2 69569295 YSYYNPCXNXBOHU-ZDUSSCGKSA-N 315.369 3.192 0 40 DGAB C[C@@H](c1ccccc1F)N(C(=O)COC[C@@H]1CCCO1)C1CC1 71904422 FNRLHERZYCKYEZ-ZFWWWQNUSA-N 321.392 3.073 0 40 DGAB Cc1cccc(OCC(=O)Nc2nonc2-c2ccccc2)c1C 8868551 QDFFYPZBYXPGPC-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Fc1ccc(-c2nnc(COc3ncnc4ccccc34)o2)cc1 8877779 NVYMZAPIDIDUEG-UHFFFAOYSA-N 322.299 3.398 0 40 DGAB CC(C)c1sc(Cl)nc1C(=O)NCC1CCOCC1 95477025 UMMNPFCMBHLUCF-UHFFFAOYSA-N 302.827 3.076 0 40 DGAB CCc1nn(C)cc1CN1CCC[C@@H](n2cnc3ccccc32)C1 95986663 AEXPMSPHKBIKAL-MRXNPFEDSA-N 323.444 3.169 0 40 DGAB CS(=O)(=O)c1ccccc1SCc1cn2ccsc2n1 89493004 WXSVZIANJXRLHW-UHFFFAOYSA-N 324.452 3.092 0 40 DGAB CCOc1ccc(/C=C2/NC(=O)N(CC)C2=O)c2ccccc12 409220795 FXXKMZMUCGGPSZ-RVDMUPIBSA-N 310.353 3.151 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)c1ccccc1Cl 20137763 SBQRUUGVDPYYLS-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB CN(C(=O)c1ccc(NC(=O)NC2CC2)cc1)c1ccccc1 32642566 XNPFRQGRKAOHHE-UHFFFAOYSA-N 309.369 3.247 0 40 DGAB C[C@@H]1CCCN1Cc1cccc(-c2ccc3ncnc(O)c3n2)c1 521398600 TWNZUYWFJKNRIK-CYBMUJFWSA-N 320.396 3.382 0 40 DGAB CN1CCC[C@H](c2cnc(NCc3cccc(F)c3)cn2)C1 72365087 DVORBGXVFQCSKA-AWEZNQCLSA-N 300.381 3.037 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N[C@H]2C[C@H]3CC[C@@H]2C3)cc1 38849153 CCHXFRAQAFGXOH-JQHSSLGASA-N 309.413 3.158 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)NCCC(C)C)n1 41184346 HIWVEXBIXRLOLU-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB Cc1n[nH]cc1CNCC1(c2ccccc2Cl)CCOCC1 78602421 VFYXCKQHUIWDPB-UHFFFAOYSA-N 319.836 3.210 0 40 DGAB CN(C)c1ccc(NC(=O)c2cccnc2Br)cc1 41107466 DIRSRLIVYUBHGS-UHFFFAOYSA-N 320.190 3.162 0 40 DGAB CCCCC[C@@H](C)NC(=O)Nc1ccccc1S(C)(=O)=O 40104355 KZOYBFXGQYTWBZ-GFCCVEGCSA-N 312.435 3.180 0 40 DGAB COc1ccccc1C[C@@H](Oc1ccc(Cl)cc1)C(=O)O 225096475 HYPIYUNJJCQFAQ-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cc1nccn1-c1ccc(CNC(=O)Cc2ccccc2)cc1 44901695 UGSVKENEXMZFLF-UHFFFAOYSA-N 305.381 3.040 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)c(F)c1)c1ccncc1 225712004 IKAVSXUMHBEAJZ-UHFFFAOYSA-N 314.238 3.414 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1C 222928713 ORGRVKKCALFJHU-JKSUJKDBSA-N 314.458 3.049 0 40 DGAB Cc1ccc(CN2C[C@H]3CN(Cc4cccc(F)c4)C[C@@H]3C2)o1 96053862 BJPPALGUHJGSHI-IAGOWNOFSA-N 314.404 3.291 0 40 DGAB Cc1csc(C(=O)NCC2CCN(CC(F)(F)F)CC2)c1 295407580 XBBONFWXUJNJMX-UHFFFAOYSA-N 320.380 3.061 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)C1CCC(F)(F)CC1 96487327 DHRZVJRUVWFDPD-UHFFFAOYSA-N 318.364 3.196 0 40 DGAB Cc1csc([C@H]2C[C@@H]3CCN(Cc4ccccn4)C[C@H]3O2)n1 96046083 DSDXVUTXRLCNMD-NUEKZKHPSA-N 315.442 3.199 0 40 DGAB c1ccc(-c2nnc(CSCc3nc(C4CC4)no3)o2)cc1 96433426 MXPCAEDLYGUWTM-UHFFFAOYSA-N 314.370 3.430 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)n1 96432882 ATMCEPFAQIECFH-WMZOPIPTSA-N 310.397 3.118 0 40 DGAB Cc1nn(C(C)C)cc1CN(C)[C@H](c1ccccc1)c1nc[nH]n1 585116783 IJBIQDZSSOXWLO-QGZVFWFLSA-N 324.432 3.112 0 40 DGAB C[C@H](SC(=S)N1CCCC1)C(=O)N[C@@H]1CCCC[C@H]1C 252140181 MDHIUKYGAOAUCQ-FRRDWIJNSA-N 314.520 3.184 0 40 DGAB CN(C)[C@H](CNc1ncnc2ccsc12)c1cccs1 53496574 JAYNTLRMHJHWMA-LLVKDONJSA-N 304.444 3.468 0 40 DGAB Clc1cccc2c1OCCC[C@H]2Nc1nccn2cnnc12 253417700 ISPWQJSWSNXMAN-GFCCVEGCSA-N 315.764 3.104 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@@H]1C[C@H]2CC[C@H]1C2 260801810 NTUPIDBSZLTFNM-COPLHBTASA-N 313.319 3.389 0 40 DGAB Cc1cnc([C@@H](C)NC(=O)N2Cc3ccccc3O[C@@H](C)C2)o1 644219984 UZMFXLWVOGDIGF-QWHCGFSZSA-N 315.373 3.037 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1ccc2[nH]ccc2c1 390826687 BEFNRRBFXFFBDN-INIZCTEOSA-N 324.384 3.186 0 40 DGAB CC(C)N1CCC2(CC1)OCC[C@H]2CCOCc1cccnc1 585104300 GYVGPIJWDKSGNP-GOSISDBHSA-N 318.461 3.268 0 40 DGAB CCOc1ccc(/C=C/c2ncc(C(=O)O)s2)cc1OC 58391607 JPNZDSCUVHTIGR-FNORWQNLSA-N 305.355 3.419 0 40 DGAB Cc1cccc(NCc2c(C)noc2C)c1C(=O)N1CCCC1 55846161 WLBYMTQKNJANPD-UHFFFAOYSA-N 313.401 3.448 0 40 DGAB C[C@@H](NCc1ccc(F)c(Br)c1)[C@H]1CCOC1 95961932 PMYVMJIWPJCPOW-KOLCDFICSA-N 302.187 3.103 0 40 DGAB CCCN1CC[C@H]2CC(=O)Nc3cc(F)ccc3OCC[C@H]2C1 1534646924 WMZPTDLRURXYDW-KBPBESRZSA-N 320.408 3.285 0 40 DGAB O=Cc1ccc(O[C@H]2CCCCO2)c(O[C@H]2CCCCO2)c1 34113652 BNBFKXFYXJETEM-IRXDYDNUSA-N 306.358 3.310 0 40 DGAB in-vitro O=C(c1cccnc1)N1CCC[C@H](n2cnc3cc(F)ccc32)C1 13266153 YOTNJXHOYPRGJH-HNNXBMFYSA-N 324.359 3.048 0 40 DGAB O=C(c1ccccc1)[C@](O)(CN1CCCCC1)c1ccccc1 17299238 ZYMMGYFMZMBYCB-FQEVSTJZSA-N 309.409 3.243 0 40 DGAB O=C(Nc1cc(Cl)cc(Cl)c1)c1cnn2cccnc12 211036 XNXMPFNJHRKXMU-UHFFFAOYSA-N 307.140 3.288 0 40 DGAB NC(=O)CCc1ccc(OCc2ccc(F)cc2Cl)cc1 226345273 PDUFGRFZWVEFDM-UHFFFAOYSA-N 307.752 3.476 0 40 DGAB CCOC(=O)c1sc(NC(=O)CCc2cccs2)nc1C 14084747 PUGSLUFVBYDOLV-UHFFFAOYSA-N 324.427 3.261 0 40 DGAB CC(C)C(=O)N1CCN(Cc2ccc(Cl)cc2Cl)CC1 13745180 KNMIBQJQPVYOLO-UHFFFAOYSA-N 315.244 3.294 0 40 DGAB COc1cccc2sc(NC(=O)COc3ccccc3)nc12 6794225 AZFCTXDAAZERNT-UHFFFAOYSA-N 314.366 3.322 0 40 DGAB O=C(NC[C@H](c1ccsc1)N1CCCC1)c1ccccc1F 12355729 PKHIAIFJKFPBLG-MRXNPFEDSA-N 318.417 3.454 0 40 DGAB O=C(Cc1ccccc1Cl)N1CCO[C@H](c2ccccc2)C1 23895949 KWWLMOQPYAUMGD-KRWDZBQOSA-N 315.800 3.483 0 40 DGAB CCOc1ccccc1-n1c(N)c(C(=O)OC)sc1=S 425169 JLNZIYJMFUXXQX-UHFFFAOYSA-N 310.400 3.036 0 40 DGAB CCOc1ccc(Sc2nn3c(=O)cc(C)nc3s2)cc1 40083058 JGBXAJYMMGHQBU-UHFFFAOYSA-N 319.411 3.009 0 40 DGAB Cc1cc2ncn(C[C@H](O)Cn3cnc4ccccc43)c2cc1C 51086472 QNZKOYLYZPAHHC-OAHLLOKOSA-N 320.396 3.064 0 40 DGAB O=C(c1ccccn1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 40817715 VAKWBBYXAZKWNZ-INIZCTEOSA-N 306.369 3.325 0 40 DGAB O=C(c1ccc2nncn2c1)N(C1CC1)[C@@H]1CCc2ccccc21 102375491 FZKFAXAYXIITOG-QGZVFWFLSA-N 318.380 3.021 0 40 DGAB COc1ccccc1NC(=O)Cc1ccc(-n2cccn2)cc1 32930965 SDPRSMHQUUWGFN-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB Nn1c(SCc2ccccc2)nnc1-c1ccccc1F 527650 QYTYXJLAFBUOJP-UHFFFAOYSA-N 300.362 3.090 0 40 DGAB COc1ccc(NC(=O)c2cncc(Br)c2)cc1 120418 NAJILZSPLHAMNY-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB Cc1nnc(COC(=O)c2cccc(N[C@H](C)C(C)C)c2C)o1 75146630 VLMWJADCGGYZSS-GFCCVEGCSA-N 317.389 3.500 0 40 DGAB COc1ccccc1NC(=O)c1cn2cc(Cl)ccc2n1 12324071 IZILMNUDDJORBY-UHFFFAOYSA-N 301.733 3.249 0 40 DGAB CCn1nc(C)c(NC(=O)Nc2cc(F)c(OC)c(F)c2)c1C 78936741 WAGVOESOEWYJKX-UHFFFAOYSA-N 324.331 3.451 0 40 DGAB CC(C)[C@H](NC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1 23771685 ZNZAMAWWKKMLCO-INIZCTEOSA-N 321.380 3.050 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@H]1CC=CCC1 6290958 HWXHNFPFFSKJHL-LBPRGKRZSA-N 307.777 3.486 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)NCCc1ccccn1 42963969 SFIUROQZAQSZIV-OAHLLOKOSA-N 315.442 3.405 0 40 DGAB Oc1ccc(-c2nc(COc3ccc(Cl)cc3)n[nH]2)cc1 8048396 KGPGMOWNVSJAQY-UHFFFAOYSA-N 301.733 3.410 0 40 DGAB COc1ccc(-n2nnnc2-c2c[nH]c3c(C)c(C)ccc23)cc1 8702079 CULCUXNFWSXFFZ-UHFFFAOYSA-N 319.368 3.436 0 40 DGAB Cc1nc(CCNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)cs1 56359745 YAOUPTDKJAUQEJ-NWDGAFQWSA-N 320.380 3.479 0 40 DGAB CC(C)c1ccc(C(=O)NC(C)(C)C(=O)NCC(C)(C)C)cc1 89893388 PLOFHTWGQWSMLX-UHFFFAOYSA-N 318.461 3.481 0 40 DGAB C/C=C/C=C/C(=O)OCC(=O)c1ccc(Br)s1 9746832 LZUDHPURSMWFCR-MQQKCMAXSA-N 315.188 3.369 0 40 DGAB COCc1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 44548979 HEEKERIBTQKKJH-UHFFFAOYSA-N 324.380 3.212 0 40 DGAB CC(C)N(C(=O)COC(=O)c1cccs1)c1ccccc1 3261013 RMSUDULLMRQRGY-UHFFFAOYSA-N 303.383 3.347 0 40 DGAB Cc1cccc(C[S@@](=O)CCC(=O)Nc2ccc(F)cc2)c1 58098056 KMUBXKRHMCYORH-JOCHJYFZSA-N 319.401 3.412 0 40 DGAB CC(=O)c1ccc(C(=O)NCc2ccc(OC(C)C)nc2)s1 44953811 DJLYFAADPYSSGI-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB CC(C)C[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 3301878 DTECEZFVWOGNMM-NSHDSACASA-N 318.204 3.015 0 40 DGAB Cc1nc2ccc(NS(=O)(=O)c3cccs3)cc2s1 3320952 AIXFIEKUGNCLKZ-UHFFFAOYSA-N 310.425 3.467 0 40 DGAB Cc1ccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c(C)c1 100281912 INSNIXCGMCWKIP-QZTJIDSGSA-N 301.386 3.364 0 40 DGAB O=C(CNc1cc(F)ccc1F)NCc1ccc(Cl)cc1 11621811 KJGRIXMYEVNPLB-UHFFFAOYSA-N 310.731 3.347 0 40 DGAB COc1ccc(C(=O)COC(=O)c2sccc2C)cc1OC 2643187 AGERANKULBSDRW-UHFFFAOYSA-N 320.366 3.113 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3cccc(F)c3)c2C)cc1 2692769 JLOZIYRBWYPPSA-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB O=C(CSc1nnc2ccccn12)c1c[nH]c2ccccc12 2649651 PAQUFOKHIGYWRC-UHFFFAOYSA-N 308.366 3.186 0 40 DGAB Cc1cc(CSc2nnc(COc3ccc(F)cc3)o2)no1 48353707 AHIIKRLJGWUVGU-UHFFFAOYSA-N 321.333 3.376 0 40 DGAB Cn1cc(C(=O)N2CCC[C@H]2Cc2c(F)cccc2Cl)cn1 46635419 ICYXYIFEFAYAJR-LBPRGKRZSA-N 321.783 3.060 0 40 DGAB CC1=NN2[C@@H](C1)c1ccccc1O[C@@]21C(=O)Nc2ccccc21 12193178 IZQJQGFPFAKZIU-YJBOKZPZSA-N 305.337 3.007 0 40 DGAB Cc1ccc(CNCc2ccc(CS(C)(=O)=O)cc2)c(C)c1 48779614 KTPPCCNQZHNPIT-UHFFFAOYSA-N 317.454 3.138 0 40 DGAB O=C(NC1CC1)c1cccc(NC(=O)c2ccc(Cl)o2)c1 13017052 OSDOIZBAWJHKSC-UHFFFAOYSA-N 304.733 3.078 0 40 DGAB CCC[C@](C)(NCc1cccc2c1OC(C)(C)C2)C(=O)OC 95467740 ICGMNILIYIGSHT-SFHVURJKSA-N 305.418 3.222 0 40 DGAB CCc1ccc(CNc2cc3c(cc2C)n(C)c(=O)n3C)cc1 13364810 DELFBGFMFPLHCD-UHFFFAOYSA-N 309.413 3.360 0 40 DGAB CSc1ccc(OCC(=O)NCc2ccc(F)cc2)cc1 6127555 DSQPZRJAYDREPC-UHFFFAOYSA-N 305.374 3.243 0 40 DGAB C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NCCc1nccs1 83202424 HQMYRJXSZPEWGM-CHWSQXEVSA-N 303.431 3.177 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)cc1O 14020778 GTZWULRNMHKJIW-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB COc1cccc(NC(=O)COC(=O)CC2CCCCC2)c1 6654375 CZNAGRXFQQTONB-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1 6757765 TUTQZHOFNWMGFE-UHFFFAOYSA-N 321.380 3.397 0 40 DGAB Cc1cc(C(=O)Nc2ccccc2Cl)c2c(C)nn(C)c2n1 14898357 VNFUCQFTLHFVLT-UHFFFAOYSA-N 314.776 3.491 0 40 DGAB O=C(c1cscn1)N1CCCCC[C@H]1C[C@@H](O)c1ccco1 95418206 FWXLOIZBFIRVIF-GXTWGEPZSA-N 320.414 3.245 0 40 DGAB CCOC(=O)CCC(=O)Nc1ccc2nc(SC)sc2c1 15896752 DDIGGXNZHRPMPU-UHFFFAOYSA-N 324.427 3.300 0 40 DGAB CCc1cc(S(=O)(=O)NCc2cccc(C)c2)ccc1OC 113970777 USWXVTUCALZVKM-UHFFFAOYSA-N 319.426 3.045 0 40 DGAB Cc1nc(C)c(CNc2cnccc2SCCCO)s1 95430889 PCTCAIYCCHIGNV-UHFFFAOYSA-N 309.460 3.242 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@H]1Oc2ccccc2O[C@@H]1C 9478458 ARHYUPXSRXVECX-BZNIZROVSA-N 301.317 3.301 0 40 DGAB O=C(Cc1ccc(N2CCCC2=O)cc1)Nc1ccc(F)cc1 7915531 LPDTUNLJVNZZBD-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB CCOc1ccc(NC(=O)N(C)C[C@H]2CCCO2)cc1Cl 69032572 IMXQMBJYAONEJO-GFCCVEGCSA-N 312.797 3.381 0 40 DGAB Cc1cn(CC(=O)N2CCC[C@H]2c2cnn(C)c2)c2ccccc12 69628243 UFNZCXOIASSJHF-KRWDZBQOSA-N 322.412 3.047 0 40 DGAB O=C(CCc1ccccc1F)N1CCCC[C@@H]1Cn1cccn1 71865025 UODSRBSLTUAYQH-MRXNPFEDSA-N 315.392 3.036 0 40 DGAB COc1ccc(CC(=O)Nc2ccccc2C(C)=O)cc1F 9691229 ORRDOXHTAJJORO-UHFFFAOYSA-N 301.317 3.218 0 40 DGAB C[C@H](CCc1ccccc1F)NC1CCC2(CC1)OCCO2 97016552 YFIXQVXULQIRSV-CQSZACIVSA-N 307.409 3.422 0 40 DGAB CC(C)c1cc(C(=O)N2CCCC[C@H]2c2nccs2)n[nH]1 72285840 KFIFLTDWFBPIAK-ZDUSSCGKSA-N 304.419 3.357 0 40 DGAB COC(=O)CCCC(=O)N1C[C@H](C)C[C@H]1c1ccccc1F 97141993 FBBRUNXSBBYSCH-DOMZBBRYSA-N 307.365 3.079 0 40 DGAB Cc1nn(C)cc1CN1CCC(OCc2ccc(F)cc2)CC1 97235487 PGRAFBRUBUZFHO-UHFFFAOYSA-N 317.408 3.049 0 40 DGAB Cn1cc(C2CCN(Cc3ncc(-c4ccccc4)o3)CC2)cn1 97203553 HUMKONFMIPOOHP-UHFFFAOYSA-N 322.412 3.455 0 40 DGAB FC(F)(F)c1ccnc(Oc2ccc(-n3cccn3)cc2)n1 75142936 PJQOTIUSWMQHGQ-UHFFFAOYSA-N 306.247 3.473 0 40 DGAB CN(CC1CCC1)C(=O)NCc1ccnc(N2CCCCC2)c1 89340247 FFDOVTOTPZFVAF-UHFFFAOYSA-N 316.449 3.013 0 40 DGAB O=C(NCc1cccnc1)c1cc(-c2cccc(Cl)c2)[nH]n1 24962692 XCJQYXNHTBEBAR-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB CNc1ccc(-c2noc([C@@H]3CCCN3CC(C)(C)C)n2)cn1 35426146 QVAZDUQDJPUMOS-ZDUSSCGKSA-N 315.421 3.356 0 40 DGAB biogenic,in-vitro COc1cc2c3c(c1)-c1c(ccc(OC)c1O)C[C@@H]3N(C)CC2 2028000 TWHQHABOPHKTTM-HNNXBMFYSA-N 311.381 3.162 0 40 DGAB biogenic CCOc1cccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 30857061 WQZBWGUYPLCETB-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB O=C(OC[C@@H]1CCN1Cc1ccccc1)c1nccc2occc12 1525937517 SHQSMRFSBKWJKZ-HNNXBMFYSA-N 322.364 3.259 0 40 DGAB C[C@H]1CCCN(Cc2c(C3CCNCC3)[nH]c3ncccc23)C1 72394685 GWZYCPNARHGSEZ-AWEZNQCLSA-N 312.461 3.262 0 40 DGAB O=C(c1cncs1)N1CC[C@@H](Cc2ccc3ncccc3c2)C1 72368463 MWBCGSQMFLBERA-AWEZNQCLSA-N 323.421 3.396 0 40 DGAB CSCc1cccc(S(=O)(=O)Nc2ccccc2F)c1 72240340 VNNNHFPPVYQAPB-UHFFFAOYSA-N 311.403 3.490 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cccc(Nc2nc(C)cs2)n1 72375126 OUVIXTDLJOYMRM-CYBMUJFWSA-N 302.403 3.274 0 40 DGAB c1ccc(-c2nccc([C@@H]3CCCN3c3ncccn3)n2)cc1 72376476 ODLLIUNEDFRKJC-INIZCTEOSA-N 303.369 3.275 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3)C2=O)cc1 36635565 KQGDWPMIMLCXDK-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB Cc1ccc(-n2nc3cc(Br)c(N)c(C)c3n2)cc1 73740148 LSUJTWIUZYNCKX-UHFFFAOYSA-N 317.190 3.382 0 40 DGAB COCCN1CCC[C@H](c2nccnc2-c2cccc(F)c2)C1 72358497 XCHQKRHWJZKLBQ-HNNXBMFYSA-N 315.392 3.109 0 40 DGAB CCOc1ccc(NC(=O)N2[C@H]3CC[C@H]2c2cncnc2C3)cc1 238923680 UKHXEFVPNKQFDT-GUYCJALGSA-N 324.384 3.169 0 40 DGAB CCc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@@H]2CO)cc1 81471133 HLXZBUQCAFATTJ-XKQJLSEDSA-N 304.434 3.160 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=S)NC2CCCC2)c1 225277893 UVBRZJJGGJWNTB-UHFFFAOYSA-N 306.431 3.401 0 40 DGAB C[C@H](Oc1cccc2c1CCCC2)C(=O)NCc1ccccn1 224547716 HXHQKCNMUFWCIR-AWEZNQCLSA-N 310.397 3.044 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2nccc(N3CCCCC3)n2)c1 224160703 KJKUTNHCOHZFQJ-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB Cc1ccc(-n2ncc(C(=O)O)c2Br)cc1Cl 85392596 ISRHEWWAULSISS-UHFFFAOYSA-N 315.554 3.295 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2ccccc2CC)cc1 224580361 JMRVKWYXKWYYFS-UHFFFAOYSA-N 319.426 3.473 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)NC[C@H]1CCSC1 225584985 NNLCMANKVMJREU-OAHLLOKOSA-N 322.474 3.034 0 40 DGAB COC(=O)c1cnc(OCC(F)(F)F)c(C2=CCCC2)c1 145981640 CZJKDHSZCAAJGU-UHFFFAOYSA-N 301.264 3.377 0 40 DGAB CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)OC)OCC3=O 22057426 NPOCOYDGCIJCKR-GOSISDBHSA-N 315.369 3.112 0 40 DGAB biogenic,in-vitro C[C@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 96461092 XYVGAOSMACTSKE-GXTWGEPZSA-N 301.415 3.254 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)Nc2ccnc(C)c2)o1 97100063 IGVBEHWXXSVSRG-OAHLLOKOSA-N 315.373 3.151 0 40 DGAB CCOC(=O)c1nc(Br)n(Cc2ccccc2)c1C 96524088 XLXDSGQQTOPPTN-UHFFFAOYSA-N 323.190 3.179 0 40 DGAB CC[C@H](CSC)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 91174852 NJKBCOMICXZOTN-ODXCJYRJSA-N 314.476 3.029 0 40 DGAB CC(C)CCC(=O)NCC(=O)N1CCCCC[C@H]1c1ccco1 96413200 YVRIATFFOACLEF-HNNXBMFYSA-N 320.433 3.276 0 40 DGAB OCCCN(Cc1cscn1)[C@H]1CCCc2ccccc21 96455360 DAVIZYKBVDKXLH-KRWDZBQOSA-N 302.443 3.405 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccsc2)[C@H]1Cc1ccccc1 96200061 YVBPHFIUEUEUTR-JKSUJKDBSA-N 301.411 3.220 0 40 DGAB Cc1cc(=O)c(C(=O)Nc2cccc(NC3CCCC3)c2)c[nH]1 96475871 RSQYFKQTTTUPFX-UHFFFAOYSA-N 311.385 3.290 0 40 DGAB Cc1ccsc1CN1CC[C@H]2C[C@@H](c3ccncn3)O[C@@H]2C1 96046340 WNYALPVWUZZYGB-CWRNSKLLSA-N 315.442 3.199 0 40 DGAB Cc1ccc(OCCc2nnc(NC(=O)C(C)(C)C)s2)cc1 95116379 UJTXFWVONWLJDZ-UHFFFAOYSA-N 319.430 3.453 0 40 DGAB CCc1nccn1Cc1ccc(-c2ccccc2C(=O)O)nc1 257208692 BNGGGWGMGLKECI-UHFFFAOYSA-N 307.353 3.254 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)COc3ccc(F)cc3)CC[C@@]2(C)C1 257205479 AZGVEIDVJVMKQS-NUJGCVRESA-N 321.392 3.011 0 40 DGAB COc1cc(NC(=O)NCc2ccccc2C)cc(OC)c1 32862323 GOTFLNWSKDIJIG-UHFFFAOYSA-N 300.358 3.334 0 40 DGAB O=C([C@@H](Sc1nncs1)c1ccccc1)N1CCCCC1 57851362 FKNWVDRHXJCWMF-ZDUSSCGKSA-N 319.455 3.384 0 40 DGAB Cc1ccc([C@@H](C)N(C)C(=O)CNC(=O)c2ccsc2)s1 55313570 QAYANTMHASOJOD-LLVKDONJSA-N 322.455 3.067 0 40 DGAB O=C(NC[C@@H](O)c1cccs1)NC12CC3CC(CC(C3)C1)C2 75170607 NSCDOGYMINJNOZ-DLUQRMLASA-N 320.458 3.050 0 40 DGAB CCCn1cc(NC(=O)c2cccc3cccnc23)ccc1=O 57143720 NCQNBTQODFIPRO-UHFFFAOYSA-N 307.353 3.059 0 40 DGAB Cc1ccc2c(c1C)OC[C@@H]2NC(=O)Cc1noc2ccccc12 77295645 JUPNPSWLEGVQJJ-INIZCTEOSA-N 322.364 3.237 0 40 DGAB CC(C)(C)NC(=O)N1CCC(c2ccc3cccnc3n2)CC1 653477872 KFNALCWSFVTCMW-UHFFFAOYSA-N 312.417 3.317 0 40 DGAB Cc1ncsc1CN1CCC[C@H](O)[C@@H]1Cc1cccc(F)c1 1615143253 KVEZZUXFPCROEL-HOTGVXAUSA-N 320.433 3.159 0 40 DGAB CCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccccc1O)N2 17031701 CBTVPTHCWMESGO-ZDUSSCGKSA-N 308.341 3.195 0 40 DGAB Ic1cccc(CN2CCCCC2)c1 12370295 DCRZUICHKJGHQK-UHFFFAOYSA-N 301.171 3.277 0 40 DGAB Cc1cc(N(C)C)cc([C@@H]2CCN(C(=O)c3ccccc3)C2)n1 1848356836 YEOJOJSBDDXDLV-MRXNPFEDSA-N 309.413 3.086 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2cccc3ncccc23)cc1 12942248 MAGVFMMHNNMHGY-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB CCO[C@H]1CCN(C(=O)C2CC(F)(F)C2)[C@H]1Cc1ccccc1 1565553208 ODERHPXXCRYGBR-HOTGVXAUSA-N 323.383 3.280 0 40 DGAB O=C(CSc1nc(-c2ccccc2)cc(=O)[nH]1)c1ccccc1 5045351 ZNYULHGMIFEMHP-UHFFFAOYSA-N 322.389 3.412 0 40 DGAB Cc1ccc(NC(=O)COc2ccccc2)cc1N1CCCC1=O 5440649 URWPYMXUVSRBQN-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB CC(C)CO[C@@H]1[C@H]2CC[C@H]1N(C(=O)c1cccc(Cl)n1)C2 2055738801 RFRHRNVNKSGKSK-NJZAAPMLSA-N 308.809 3.011 0 40 DGAB CC(C)NC(=O)CSCc1cc(-c2ccc(F)cc2)no1 30529045 LPOJKEPRCSLCAL-UHFFFAOYSA-N 308.378 3.239 0 40 DGAB COc1ccc(C[C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 100548022 FZHXBXKVCHGELH-OAHLLOKOSA-N 309.365 3.126 0 40 DGAB CCCOc1ccc([C@H](C)NC(=O)c2cc(C)on2)cc1OC 40541274 OMJQGERCNQCAGY-LBPRGKRZSA-N 318.373 3.271 0 40 DGAB COc1cc(OC)c(C(=O)Nc2ccccc2C)cc1OC 365310 LSPUXPBRJFWIQW-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2ccc(F)cc2)cnn1-c1ccccn1 32816075 ZWKPRWGLPCGXMK-LBPRGKRZSA-N 324.359 3.206 0 40 DGAB Cc1nc(-c2ccccc2)sc1[C@H](C)NC(=O)[C@@H]1CCCO1 53423947 KMHKHKSLRWQVQS-FZMZJTMJSA-N 316.426 3.475 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)Nc2cc(C)on2)cc1 53754556 FVGOJKDEWZKMEF-UHFFFAOYSA-N 318.333 3.220 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2c(C(C)(C)C)nnc32)cc1C 540076 QGBCLOVLEQKRDZ-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB Cc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)c(C)c1 546260 ILMNAQCAARWHLM-LJQANCHMSA-N 309.365 3.414 0 40 DGAB C[C@H]1[C@@H]2C[C@H](C3(C)OCCO3)CC[C@]2(C)CCC12OCCO2 1723695 CJQUVXLNJSJHHG-XUWVNRHRSA-N 310.434 3.345 0 40 DGAB O=c1c2[nH]c3ccccc3c2ncn1CCc1ccc(F)cc1 2325142 DGLQSVARHABUHR-UHFFFAOYSA-N 307.328 3.260 0 40 DGAB C[C@H](O)CCNC(=O)OCC1c2ccccc2-c2ccccc21 2541570 MHRZCRSLZGBEAG-ZDUSSCGKSA-N 311.381 3.296 0 40 DGAB in-vitro C[C@H](NC(=O)COC(=O)C1(c2ccccc2)CC1)c1ccccc1 2650650 GENGDIIQOZAEMT-HNNXBMFYSA-N 323.392 3.139 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3ccccc3F)c2C)cc1 2713189 SBBGBAJEGVGCHA-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB COc1ccc(C)cc1Nc1nnc(SCC(C)=O)s1 3266350 YKQNSVWZQOLIEL-UHFFFAOYSA-N 309.416 3.280 0 40 DGAB Cc1c(C(=O)C(=O)Nc2ccccc2F)c2ccccc2n1C 4062604 GEKSPPHSTYCREF-UHFFFAOYSA-N 310.328 3.447 0 40 DGAB CCOc1ccccc1NC(=O)c1nnn(-c2ccccc2)c1C 4511617 QEMVHRZTPUCHFR-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=c1[nH]c2c(s1)[C@@H]1c3cc(Cl)ccc3OC[C@H]1CS2 4540114 RATQJCFBIKCPOR-WKEGUHRASA-N 311.815 3.336 0 40 DGAB O=C1OC(/C=C\c2ccccc2)=N/C1=C/c1ccc2c(c1)OCO2 5328245 RSFMSMNQXDGDAA-MLZDJZNWSA-N 319.316 3.425 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5512107 PCOLBCMHAOKZBO-XJKSGUPXSA-N 303.402 3.353 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C 5973688 ROYAYUGRYGJSTN-UHTWSYAYSA-N 309.431 3.297 0 40 DGAB COc1ccc(-c2csc(NC(=O)c3ccccn3)n2)cc1 6182119 VLQYAOPRYCLQFB-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1ccccc1CC(=O)NCCc1c[nH]c2ccccc12 6946882 GJYJVQFJKCPBMT-UHFFFAOYSA-N 308.381 3.078 0 40 DGAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c1 7166345 KJIPXRVHODTXFI-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 7308931 CJFXQNBYKVIGOB-QMMMGPOBSA-N 303.355 3.066 0 40 DGAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2cccc(F)c2)c1 7573799 RXJNXSHWBQWPDO-UHFFFAOYSA-N 322.339 3.288 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1F 8016993 ANMAFUMBGJKXNW-SNVBAGLBSA-N 314.316 3.106 0 40 DGAB C[C@@H]1CCc2c(C(=O)Nc3sccc3C(N)=O)csc2C1 8733841 UZJDNUQCIHBKDK-MRVPVSSYSA-N 320.439 3.286 0 40 DGAB COc1ccc([C@H](NC(=O)c2c(C)noc2C)C2CC2)cc1 8993891 CJMVEAXRTLUEGN-MRXNPFEDSA-N 300.358 3.181 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C1=O 9096088 HFPGREXJLCMVAK-HGSJOUDDSA-N 301.773 3.350 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cc(Cl)c2c(c1)OCO2 9112554 LIONZHTVSAKZEQ-CQSZACIVSA-N 315.756 3.486 0 40 DGAB C[C@@H](NC(=O)Nn1cnc2ccccc21)c1ccc(F)c(F)c1 10402835 AXEXONSUIAUISU-SNVBAGLBSA-N 316.311 3.329 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2)C1 10542840 UGXOMHIGGYIGMX-KBPBESRZSA-N 308.853 3.438 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)c(C)c1 12979853 BCSRDCGCXVVSGS-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB O=C(Nc1cccc2cccnc12)c1ccc2nccnc2c1 14095748 PRXMTXLCIZRCST-UHFFFAOYSA-N 300.321 3.430 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H]1CCSc2ccccc21 14109289 PKZOCTXFPYTFFY-AWEZNQCLSA-N 302.399 3.187 0 40 DGAB CCCNC(=O)c1sc(COc2ccc(F)cc2)nc1C 14197705 OGQRXKPXCZGWSV-UHFFFAOYSA-N 308.378 3.309 0 40 DGAB CC(C)c1ccc(C(=O)NC(=S)NCc2ccco2)cc1 14257811 NLGOFTKBTSOWPH-UHFFFAOYSA-N 302.399 3.208 0 40 DGAB COc1ccccc1CNC(=O)c1cc(-c2ccc(C)cc2)n[nH]1 14282892 XXNUMZPPKABINF-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB Cc1ccn2c(=O)cc(COc3cccc(Cl)c3)nc2c1 14738172 URDCTCXKCXXMTR-UHFFFAOYSA-N 300.745 3.235 0 40 DGAB O=C(c1ccccc1)c1ccc2nc(CC3CCNCC3)[nH]c2c1 15423958 WGDHNFZUNMAGKX-UHFFFAOYSA-N 319.408 3.336 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@@H](C)Oc1ccc(Br)cc1 17054746 YSPLWIOKNGFKMH-WDEREUQCSA-N 314.223 3.377 0 40 DGAB CCCNc1ncnc2sc3c(c12)[C@H](C(=O)OCC)CC3 19797286 JPGNNYDKLOUZNC-SECBINFHSA-N 305.403 3.106 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2F)o1 22246177 VLNNTHJNUDHDEB-AAEUAGOBSA-N 323.389 3.363 0 40 DGAB Cc1cc(C)c(OCC(=O)Nc2ccc(N(C)C)nc2)c(C)c1 22394440 LBPFALIQDHOQDT-UHFFFAOYSA-N 313.401 3.090 0 40 DGAB CCCCn1nc(C(=O)Nc2c(C)cccc2CC)ccc1=O 22913936 MGCVMXQIINCNTH-UHFFFAOYSA-N 313.401 3.167 0 40 DGAB CNC(=O)[C@H](C)OC(=O)c1cc2sc3ccccc3c2s1 23224830 GLIDFOQQDOQHHJ-QMMMGPOBSA-N 319.407 3.407 0 40 DGAB Cc1cc(CNC(=O)c2ccc(-n3ccnc3)cc2)ccc1F 24050770 NSPANPPCAVFXST-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB COc1cccc(Cn2cc(NC(=O)Cc3ccccc3)cn2)c1 28220679 ZSCOSDOBHAKYET-UHFFFAOYSA-N 321.380 3.121 0 40 DGAB CC[C@H](C)NC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221065 OHEIXLBMIIKYCY-ZFWWWQNUSA-N 308.853 3.467 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2c(C)nn(C)c2C)cc1 28236158 AGLFRQFNYIZFQO-UHFFFAOYSA-N 300.406 3.135 0 40 DGAB Cc1cc(=O)n(CC(=O)Nc2ccc(F)cc2)c2ccccc12 32530399 VSAIQZJMZHOPCH-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB CN1CCS/C1=C\C1=C/C(=C/C2=[N+](C)CCS2)CCC1 39440246 ZARGRFHDJNYMOZ-UHFFFAOYSA-N 307.508 3.331 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCc2cccnc2-n2ccnc2)C1(C)C 44912250 MPRIDYHJPFMAAN-JKSUJKDBSA-N 324.428 3.122 0 40 DGAB Cc1c([C@H](C)NC(=O)c2cccnc2)cnn1-c1ccc(F)cc1 45517751 SANJACRAPYZJNS-LBPRGKRZSA-N 324.359 3.206 0 40 DGAB CONC(=O)c1cc(C2CC2)nc2onc(-c3ccccc3)c12 47064323 YVURPOWQMVQDBP-UHFFFAOYSA-N 309.325 3.058 0 40 DGAB CCCCNc1c(C(=O)OCC)c(=O)[nH]c2c(C)cccc12 49001442 DFVOIUNRNRBVNR-UHFFFAOYSA-N 302.374 3.225 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 49275879 YADXNSZRILNMRB-ONGXEEELSA-N 301.745 3.002 0 40 DGAB CCCc1n[nH]c(SCC[S@@](=O)c2cc(C)ccc2C)n1 53683396 FZIQBGDJBICOCB-NRFANRHFSA-N 323.487 3.274 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(F)cc2)cc1C 55547181 OEGZYKHMRCWVGK-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(Cc1cccs1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55943983 OTTNGFQTYORLSR-NVXWUHKLSA-N 319.401 3.466 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NCc1ccccc1CO 58046567 UOTKPDWYKDIMGX-UHFFFAOYSA-N 320.776 3.163 0 40 DGAB CC(=O)N[C@H](CC(=O)NCCC1=CCCCC1)c1ccccc1 58342141 FNKAFSOQGIXAKB-GOSISDBHSA-N 314.429 3.261 0 40 DGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)NCCC(C)C)c12 61721560 VUPRJWNYJCRRDS-UHFFFAOYSA-N 302.422 3.176 0 40 DGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)c1ccnc(F)c1 65554515 RBTYDJXFZTTXEN-LLVKDONJSA-N 309.344 3.462 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)Nc3ccccc3)C2)no1 69219271 IUQPIKVTXVEUMD-GFCCVEGCSA-N 300.362 3.044 0 40 DGAB O=C(Nc1ncn(Cc2ccccc2)n1)c1cc2ccccc2[nH]1 69486361 QWQQSWRVEHAANS-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB C[C@@H]1CCC[C@@H]1NC(=O)Nc1cc(N2CCOC2=O)ccc1F 69627003 ZBFGWVKMOVARCG-MFKMUULPSA-N 321.352 3.092 0 40 DGAB CC[C@H](C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1 69632677 LBJOTSIMOHVTCI-LIRRHRJNSA-N 324.424 3.483 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)c2ccc(-c3cnco3)cc2)cn1 71796724 LHYFUKZGWWXEAR-MRXNPFEDSA-N 322.368 3.052 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(C3CC3)nn2C(C)(C)C)CC(C)(C)O1 71831196 JWASSQUWJXPZOL-GFCCVEGCSA-N 319.449 3.155 0 40 DGAB CC(C)N(C)CC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 71841796 ASYHOSXRGQEVBT-UHFFFAOYSA-N 313.445 3.214 0 40 DGAB CC[C@H](N[C@H](C)c1sc(-c2ccccc2)nc1C)C(N)=O 71902573 YCODENVLHVCKIP-MFKMUULPSA-N 303.431 3.033 0 40 DGAB N[C@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227389 WEWPEWXTXJDILC-KGLIPLIRSA-N 306.287 3.121 0 40 DGAB COc1ccccc1/C=C/C(=O)OCC[C@@H]1CCCCN1C 78253959 OUTHWWNIOKLDRR-OFAQMXQXSA-N 303.402 3.126 0 40 DGAB O=c1[nH]c(NCc2coc(-c3ccccc3)n2)nc2ccccc12 78341090 ZUQJCMLMVAHRNH-UHFFFAOYSA-N 318.336 3.190 0 40 DGAB CCCn1nnnc1CNc1cc(Cl)c(OC)c(Cl)c1 79016719 MPOODPZFVZHVLS-UHFFFAOYSA-N 316.192 3.011 0 40 DGAB Cc1nc2ccc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)cc2s1 84290359 VNUABFSYDNOHCU-NEPJUHHUSA-N 318.398 3.434 0 40 DGAB Cc1cn2c(CCC(=O)NCCC3=CCCC3)csc2n1 95435312 HLPWIOIONYLHLR-UHFFFAOYSA-N 303.431 3.253 0 40 DGAB COc1cc(C(=O)c2cc(F)ccc2C)cc(OC)c1OC 95917042 MVNFWDNUNUKWMA-UHFFFAOYSA-N 304.317 3.391 0 40 DGAB Cc1csc(-c2cccc(NC(=O)N3CCO[C@@H](C)C3)c2)n1 96403218 GSSLUIGKQWCPQY-LBPRGKRZSA-N 317.414 3.371 0 40 DGAB CCCS(=O)(=O)Nc1cccc(NC(=O)c2ccsc2)c1 96414520 VBZHUGPWBDMUNT-UHFFFAOYSA-N 324.427 3.152 0 40 DGAB CN(Cc1ccccn1)[C@@H](CO)c1cccc(Br)c1 96487662 NFVMFXPVTPAILX-HNNXBMFYSA-N 321.218 3.010 0 40 DGAB COc1cc(C)c(S(=O)(=O)NCc2ccccc2C)c(C)c1 96658846 DGQZCUTUEIZBIZ-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB Oc1nc(-c2cc(OCC(F)F)ccn2)nc2cc(F)ccc12 97371596 MKGSEOCWRVZXCD-UHFFFAOYSA-N 321.258 3.180 0 40 DGAB Nc1nc(/C=C/c2ccc(F)cc2)nc(-c2ccccc2O)n1 100164041 CHXLAEGBGVBQOB-JXMROGBWSA-N 308.316 3.136 0 40 DGAB COc1ccc([C@@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1 101028799 WSKJBUIJNZMJNE-KRWDZBQOSA-N 319.368 3.046 0 40 DGAB COc1ccc(Cl)cc1N(C)S(=O)(=O)c1cccs1 114313280 QLZPBUOLSGEDFW-UHFFFAOYSA-N 317.819 3.235 0 40 DGAB C[C@@H](c1ccsc1)N1CCN(C(=O)c2cccs2)CC1 128583168 NFGQSMLVWZURQY-LBPRGKRZSA-N 306.456 3.329 0 40 DGAB C[C@H](C(=O)NC[C@H]1[C@@H]2CCc3ccccc3[C@@H]12)C1CCOCC1 195546017 PZOKKCOIZUAGEK-ZQEOTTOMSA-N 313.441 3.141 0 40 DGAB COC(=O)CCCCc1ccc(I)cc1 200701157 MDBFKMASEIXGBA-UHFFFAOYSA-N 318.154 3.177 0 40 DGAB COc1cc(CN(C)C(=O)C2CCCCC2)cc(OC)c1OC 222971940 LQISGWZMXDDVAQ-UHFFFAOYSA-N 321.417 3.251 0 40 DGAB CCOc1ccc(CNC(=S)Nc2cc(C)ccn2)cc1 225432532 LNHXAQHOGIHBBH-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 245377369 KDADEENOYSUPPW-CWLKWCNXSA-N 305.377 3.479 0 40 DGAB COc1ccc([C@@H]2CC(=O)c3ccccc3N2)c(OC)c1OC 252494417 NUVPHLQOIAYMFC-AWEZNQCLSA-N 313.353 3.452 0 40 DGAB CCn1cnc2c(NCc3cccc(C(F)(F)F)c3)ncnc21 264686779 YEHMZXGBQSJHII-UHFFFAOYSA-N 321.306 3.477 0 40 DGAB O=C(Nc1ccccc1Cl)N1CCn2nc(C3CC3)cc2C1 390832316 YOZGQWXNCYFFKI-UHFFFAOYSA-N 316.792 3.462 0 40 DGAB CCOC(=O)CSc1nnc(C23CC4CC(CC(C4)C2)C3)o1 408582989 QLZRGMNHCIGSSB-UHFFFAOYSA-N 322.430 3.193 0 40 DGAB C[C@H](Cc1ccc(NC(=O)c2ccc3n[nH]cc3c2)cc1)C(=O)O 516947554 PTNCWVXXUKCXJP-LLVKDONJSA-N 323.352 3.078 0 40 DGAB Cc1cc(C(=O)Nc2cn(C)nc2-c2ccco2)nn1C(C)C 529839500 LGTZTNKLVOBZRI-UHFFFAOYSA-N 313.361 3.018 0 40 DGAB COc1cccc(NC(=O)N2CCOC[C@H]2CC2CCC2)c1 556530026 DQEOHUCLGWLPBP-OAHLLOKOSA-N 304.390 3.118 0 40 DGAB COc1ccc([C@@H]2[C@H](C(=O)O)CCC(=O)N2CC(C)(C)C)cc1 584906730 XFVGVWSDMFNNSS-GDBMZVCRSA-N 319.401 3.106 0 40 DGAB COC1(c2noc([C@H](c3ccccc3)n3cccn3)n2)CCCC1 585133631 NZSDRUVWRQXDRO-HNNXBMFYSA-N 324.384 3.320 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2ccco2)o1)Nc1cccs1 1775965574 DLXKEPOMCMRBLR-SNVBAGLBSA-N 318.354 3.456 0 40 DGAB Fc1ccc2nc(N3CC(N4C[C@H]5CCC[C@H]5C4)C3)sc2c1 2070376949 XGBRYAXUNHNIKJ-TXEJJXNPSA-N 317.433 3.356 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1ccccc1C(=O)O 367856 VNNNWQRQFOBLAZ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1ccc(Cn2c(=S)[nH]c3ccc(F)cc3c2=O)cc1 425294 YRQXHILMXQMZDT-UHFFFAOYSA-N 316.357 3.255 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)CCCc2ccccc2)cc1 1706779 CVYLTTWAHFGYSP-UHFFFAOYSA-N 303.427 3.248 0 40 DGAB O=S(=O)(CCc1ccccn1)Oc1cccc2ccccc12 2061680 HEIMOUJBOHZKKH-UHFFFAOYSA-N 313.378 3.186 0 40 DGAB COc1cc(SC)ccc1C(=O)OCC(=O)c1ccccc1 3229266 UNEWZQXNJARTBF-UHFFFAOYSA-N 316.378 3.457 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2cc(C)oc2C)cc1 3320073 VXPSZJWWFOLBNC-UHFFFAOYSA-N 317.341 3.091 0 40 DGAB CCOC(=O)c1sc(NC(=O)Cc2ccccc2)cc1C 3553141 UBHKXAVIZKGUDL-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB O=C(Nc1nnc(-c2ccc(F)cc2)o1)c1cccc(F)c1 4275946 XBIPTIMHYWRESV-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB Cc1ccc([C@H](OC(=O)c2ccco2)C(=O)NC(C)(C)C)cc1 4900560 DIKWQZKUIWOWRN-HNNXBMFYSA-N 315.369 3.401 0 40 DGAB CC(=O)N(CCCN(C)C)c1nc2c(Cl)cccc2s1 5122421 BVPULTFRNJBCDC-UHFFFAOYSA-N 311.838 3.254 0 40 DGAB Cc1ccccc1-c1nnn(CC(=O)c2ccc3c(c2)CCC3)n1 5169326 QAKUVTQBEBNQFR-UHFFFAOYSA-N 318.380 3.020 0 40 DGAB S=c1[nH]nc(Cc2cccs2)n1-c1ccc2c(c1)OCO2 5706065 GGDSNFBKVHYCNP-UHFFFAOYSA-N 317.395 3.311 0 40 DGAB COc1ccc(/C(=C/c2cccc(OC)c2O)C(=O)O)cc1 6181707 RTPOXZGKNFDMIY-UVTDQMKNSA-N 300.310 3.035 0 40 DGAB O=C(Nc1nc(-c2ccc(Cl)cc2)cs1)C1=COCCO1 6472613 PUNWWPUNXIGREK-UHFFFAOYSA-N 322.773 3.290 0 40 DGAB COc1cccc(CNC(=O)c2cc3cc(C)ccc3n2C)c1 8614934 HENHDOMMHLNNDQ-UHFFFAOYSA-N 308.381 3.425 0 40 DGAB CCc1ccccc1Nc1nnc(S[C@@H]2CCOC2=O)s1 9647522 AMRFUZFBGZKXBK-LLVKDONJSA-N 321.427 3.252 0 40 DGAB O=C(COc1ccc(F)cc1)N1CCc2[nH]c3ccccc3c2C1 9901437 WGIGZZBZPDXCFW-UHFFFAOYSA-N 324.355 3.271 0 40 DGAB Cc1c(C)n(CCN(C)C)c2nc3c(c(N)c12)CCCCCC3 12390659 VJPGKYCUOMUWDK-UHFFFAOYSA-N 314.477 3.456 0 40 DGAB Cc1ccc(C(=O)Nc2cc(Cl)ccc2-n2cncn2)o1 12903219 SOENOFPHHMSOCW-UHFFFAOYSA-N 302.721 3.074 0 40 DGAB O=C(NCc1ccc(Cl)cc1)[C@@H]1COc2ccccc2C1 12925807 HWEPWHUJICWPAJ-AWEZNQCLSA-N 301.773 3.208 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cncc(Br)c1 15525414 SCZXXMQAQGNNQQ-AWEZNQCLSA-N 317.186 3.261 0 40 DGAB Cc1occc1C(=O)N1CCN(c2ccccc2Cl)CC1 17119708 PUNXIKRBWSFGBC-UHFFFAOYSA-N 304.777 3.204 0 40 DGAB Cn1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)c2cccnc21 19289493 PMXFPJSMHSGDCN-HNNXBMFYSA-N 324.403 3.487 0 40 DGAB Cc1ccc(C)c(OCCCn2ncc3ccccc3c2=O)c1 19296406 HXRLAJIMQWPLOY-UHFFFAOYSA-N 308.381 3.482 0 40 DGAB CCCOc1ccccc1C(=O)Nc1cc(N)ccc1OC 19736222 XEBMMNBHQVVTMG-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB CCOC(=O)C(=O)c1cn(C(=O)OC(C)(C)C)c2ccccc12 19801344 WTQKFWUPKZHMOH-UHFFFAOYSA-N 317.341 3.170 0 40 DGAB Cc1ccc(N2CCN(C(=O)Nc3ccccc3F)CC2)cc1 19923750 AHLHMBRSQRMQML-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB O=C(NCCc1ccccn1)c1csc(-c2cccs2)n1 21774731 ARWFLDRSVYOSMP-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB CN(C)CCN(Cc1ccncc1)Cc1ccc2ncccc2c1 22913792 FROBABWYGCAWAL-UHFFFAOYSA-N 320.440 3.194 0 40 DGAB Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@@H]1CCCO1 24538930 JHXCUTQOTHCKBZ-ZDUSSCGKSA-N 304.777 3.105 0 40 DGAB CCCc1cc(=O)[nH]c(S[C@@H](C)c2nc(C(C)C)no2)n1 27774705 HWACHGLOOPSOLB-VIFPVBQESA-N 308.407 3.082 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C[C@H]1C=CCC1)c1cccc(F)c1 29082504 XZKZIAHVDQWYSV-GUYCJALGSA-N 313.376 3.121 0 40 DGAB CCN(C[C@@H]1COc2ccccc2O1)C(=O)c1ccc(Cl)o1 39972146 CVPNGKCFUBEKIW-LLVKDONJSA-N 321.760 3.235 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1ccc(O)c(Cl)c1 40464839 LATGFCYEAZGULX-UHFFFAOYSA-N 318.804 3.037 0 40 DGAB CCc1ccc(NC(=O)NC[C@H](O)c2ccccc2OC)cc1 40526016 NVARDPDZTMPLRT-INIZCTEOSA-N 314.385 3.113 0 40 DGAB CCOc1ccc(OCC)c(NC(=O)c2cncnc2CC)c1 40549784 QNBGYAKTKNKTHH-UHFFFAOYSA-N 315.373 3.089 0 40 DGAB CCN(CC)C(=O)CN(C)Cc1cccc(C(F)(F)F)c1 48368043 JVAMISVNZCYMFS-UHFFFAOYSA-N 302.340 3.006 0 40 DGAB C[C@@H](NC(=O)c1cc(Cl)ccc1F)c1nnc2ccccn12 48374481 SKHBWHWKDJPAGX-SECBINFHSA-N 318.739 3.013 0 40 DGAB O=C(Nc1ccc(SC(F)(F)F)cc1)N1CCOCC1 48488745 BQHGHXQSQIEPPZ-UHFFFAOYSA-N 306.309 3.163 0 40 DGAB Cc1cc(C)n(-c2ccc(CNCc3ccccc3F)cn2)n1 48742457 RXFUVOIDWNRGMD-UHFFFAOYSA-N 310.376 3.313 0 40 DGAB COCc1cccc(CNC(=O)c2nccc3ccccc23)c1 58433060 QEDMAMQHTMNNPE-UHFFFAOYSA-N 306.365 3.311 0 40 DGAB O=P(O)(O)[C@H](NCc1ccccc1)c1ccc(Cl)cc1 65090418 URHPWORLJYZZLJ-AWEZNQCLSA-N 311.705 3.306 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)N1CCCSc2ccccc21 66016731 GBNXQZCZANAUMV-KBPBESRZSA-N 321.442 3.100 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1ccc(Cn2ccnc2C)cc1 68101257 PEYVCQOEWLNLCL-UHFFFAOYSA-N 323.400 3.017 0 40 DGAB O=C(CSc1nncs1)N[C@H]1CCCCc2ccccc21 69493798 FAZVDOUDOUHYIV-ZDUSSCGKSA-N 319.455 3.214 0 40 DGAB Cc1csc([C@@H](C)NC(=O)Nc2cnc(C(C)(C)C)nc2)n1 69658971 TXETYHNUHPSZCV-SNVBAGLBSA-N 319.434 3.422 0 40 DGAB CCC[C@H](C)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69664457 UEYXFOMVKNOPKA-GJZGRUSLSA-N 304.434 3.074 0 40 DGAB O=C(NCC(F)(F)F)N(Cc1ccc(F)cc1F)C1CC1 69744167 AKZIGKZEUPYEOG-UHFFFAOYSA-N 308.250 3.201 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)c1 69808122 YCAGHDLWISLTBP-CADBVGFASA-N 312.457 3.184 0 40 DGAB COc1cccc(-c2nsc(NC(=O)c3ccoc3C)n2)c1 69896099 ZKLSXSPUVAHPHC-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB O=C([C@H]1CCCN(c2ccccn2)C1)N1CC[C@@H]1c1ccccc1 71827031 OTXQMEFLURICLZ-ZWKOTPCHSA-N 321.424 3.272 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@@H]2CCCC[C@H]2C1 71835127 KIEKIZTUAAZXQH-HOTGVXAUSA-N 324.424 3.040 0 40 DGAB Cc1cccc(C[S@](=O)[C@@H](C)C(=O)NC2CCCCC2)c1 71858891 IYXFKRGTRXMACB-LHSJRXKWSA-N 307.459 3.081 0 40 DGAB Cn1cc(C(=O)N2CCCC[C@H]2Cn2cccn2)c2ccccc21 71865054 LYVHNMQJJDPTRI-HNNXBMFYSA-N 322.412 3.070 0 40 DGAB COc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 71977884 ZNWXCHVUZLTKJF-UHFFFAOYSA-N 321.336 3.130 0 40 DGAB CCc1ccc(CNC(=O)COC(=O)c2ccc(C)s2)cc1 72333993 SLKBNVWTYPNNHL-UHFFFAOYSA-N 317.410 3.092 0 40 DGAB Cc1cccc(NC(=O)c2cccc(-n3nc(C)cc3C)c2)n1 72405629 DKIOFHKAGISBAL-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1ncccc1C(=O)OCc1cnc(-c2cccs2)o1 76040867 RYJGCTMIBDSWAD-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB C[C@@H](OC[C@@H]1CCCO1)C(=O)O[C@@H]1CCSc2ccccc21 78442681 VZAHCDAQVZLKRO-VNHYZAJKSA-N 322.426 3.351 0 40 DGAB Cn1c(C(=O)Nc2ccc3c(c2)OCO3)cc2cc(F)ccc21 82336236 ATLFMCPRFBSCBF-UHFFFAOYSA-N 312.300 3.298 0 40 DGAB CCCN(CC1CC1)S(=O)(=O)c1ccc(C)c2ncccc12 84755169 ZKZLLUJFYXRIPW-UHFFFAOYSA-N 318.442 3.354 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1ccc2ncccc2c1 95417758 SDVPBRHSTVHMDW-LIRRHRJNSA-N 320.392 3.477 0 40 DGAB COc1ccc([C@H](C)[C@H](C)N[C@H](C(N)=O)c2ccccc2)cc1 95419781 COLKJQJEDXWCCX-GLJUWKHASA-N 312.413 3.003 0 40 DGAB Cc1nc([C@@H](C)NC2CCN(Cc3ccccn3)CC2)cs1 95422166 LNLWYKMUSDDCEK-CYBMUJFWSA-N 316.474 3.162 0 40 DGAB CCC(CC)(CC)NC(=O)Nc1nnc(-c2nccn2C)s1 95446360 FJXMEQNZYHXVGC-UHFFFAOYSA-N 322.438 3.029 0 40 DGAB CCn1cc(N[C@@H](C)CC(=O)Nc2cccc(C)c2C)cn1 95991741 RRHZLWPEAPUHRT-ZDUSSCGKSA-N 300.406 3.349 0 40 DGAB Fc1cccc(N[C@H]2CO[C@@]3(CCN(c4nccs4)C3)C2)c1 96072588 UTGYAFNQFGKOGA-ZBFHGGJFSA-N 319.405 3.132 0 40 DGAB Cc1nc([C@@H](C)NC(=O)Nc2cccc([S@](C)=O)c2)cs1 96410680 JLMHCBFIPVQWIZ-AOUSDQRYSA-N 323.443 3.072 0 40 DGAB COC(=O)CCCCNC(=O)C1(c2cccs2)CCCCC1 96414336 YBEVJGBVGCDLGC-UHFFFAOYSA-N 323.458 3.410 0 40 DGAB Cc1nc2ccccc2n1CCSc1nncn1C(C)C 96488971 GABOHGCTIHNGQC-UHFFFAOYSA-N 301.419 3.309 0 40 DGAB Cc1cccc(C)c1N[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O 101276594 RMBPCWQJJFKETQ-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CCOC(=O)c1cnc2cc(C(F)(F)F)c(F)cc2c1O 103289234 MPXUUAGXSGWQSB-UHFFFAOYSA-N 303.211 3.275 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1ccc(Br)cc1Cl 169230093 FXAUMGSLRWIAOG-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)COc2ccc(F)cc2)cc1 222783979 VIASBVPNDVUSSP-CQSZACIVSA-N 317.360 3.097 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222905241 FMZRDOUGLOAODY-GJZGRUSLSA-N 300.431 3.038 0 40 DGAB O=C(COc1ccc2c(c1)CCCC2)NCCCc1ccco1 223542003 YDJNNZNNKCEOMS-UHFFFAOYSA-N 313.397 3.286 0 40 DGAB Cn1c(=O)sc2cc(NC(=O)/C=C/c3ccccc3)ccc21 225019761 BKQVSDUBLZUVKV-JXMROGBWSA-N 310.378 3.252 0 40 DGAB COc1ccc(C[C@@H](Oc2ccc(C)cc2)C(=O)O)c(OC)c1 225111751 BFYFYBHDGAJVHV-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB CN(C(=O)C(F)(F)F)c1ccc(N2CCCCC2)c(F)c1 226275521 YIGKPQJOWOOCJT-UHFFFAOYSA-N 304.287 3.341 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cn(-c3ccc(F)cc3)cn2)C1 227115291 MJERHZWVKLNSOR-CHWSQXEVSA-N 301.365 3.130 0 40 DGAB COc1cc(CN2CCC[C@@H](c3ccnc(C)n3)C2)ccc1F 257249961 JKKMBQNXPPJTKQ-OAHLLOKOSA-N 315.392 3.312 0 40 DGAB CCn1cnnc1NC(=O)C1(c2cccs2)CCCCC1 285827970 OCSGEQRQTZWYBY-UHFFFAOYSA-N 304.419 3.200 0 40 DGAB O=C(NCc1nc(C2CC2)cs1)[C@H]1CCc2ccccc2C1 515854626 YTVXVVNWDWQIIV-HNNXBMFYSA-N 312.438 3.442 0 40 DGAB Cc1[nH]nc(C(F)F)c1NC(=O)c1cccc2ccc(O)nc12 522036588 WZOZWYZYFOIQKV-UHFFFAOYSA-N 318.283 3.162 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN1CC[C@@H]2OCC[C@@H]2C1 567796234 LVUFUGJDLXCADN-DOMZBBRYSA-N 304.415 3.322 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)S(=O)(=O)CCC(C)(F)F 583650856 AMJBMPYWSZZSIM-SNVBAGLBSA-N 309.353 3.194 0 40 DGAB Cc1nccc([C@H]2CCCN(c3nc(C)nc4c3CCCC4)C2)n1 584908518 XXYAJZKMTNPIOP-HNNXBMFYSA-N 323.444 3.146 0 40 DGAB COc1ccc(C(=O)CNC(=O)OC(C)(C)C)cc1SC 599884704 YWSSLLHXGAEOCZ-UHFFFAOYSA-N 311.403 3.125 0 40 DGAB CC(C)(C)OC(=O)NCc1nccc(OC(F)F)c1Cl 1504244686 ATRNUJPLTBEXQN-UHFFFAOYSA-N 308.712 3.361 0 40 DGAB Cc1nnsc1C(=O)NCCc1ccc(-c2ccco2)s1 2086896834 LXNBKNGCDKGXFP-UHFFFAOYSA-N 319.411 3.141 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)O)N2CCCCC2)cc1 31478 AJNRPWSMHSXNTB-MRXNPFEDSA-N 317.429 3.496 0 40 DGAB CCOC(=O)c1ccc2c(c1)C(=O)N(c1cc(C)ccc1C)C2=O 191298 REBMXRFUQPAYQM-UHFFFAOYSA-N 323.348 3.281 0 40 DGAB COC(=O)N[C@H](Nc1ccc(C)cc1)C(Cl)(Cl)Cl 481175 FFKVQADMJIDFLX-VIFPVBQESA-N 311.596 3.459 0 40 DGAB COc1ccc(CN[C@@H](CN2CCCC2=O)c2ccccc2)cc1 47794745 VUOUDPHOGNAMNG-IBGZPJMESA-N 324.424 3.149 0 40 DGAB CCc1cnc(CN2CCC[C@@H](c3noc(C(C)C)n3)C2)o1 72299822 IDMRZRJRDJYNNT-GFCCVEGCSA-N 304.394 3.123 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)CSc1ccccc1 3499572 PRRSJGPPHSXMNG-ZFWWWQNUSA-N 321.442 3.017 0 40 DGAB C[C@@H](NC(=O)/C=C/c1ccc2c(c1)OCO2)[C@@H]1C[C@@H]2CC[C@@H]1C2 101703115 LXNOAIIBZDISFK-GXKQOCOUSA-N 313.397 3.369 0 40 DGAB Cc1cc(C)c2nc(NC(=O)c3ccc4[nH]nnc4c3)sc2c1 24761482 IVTHBCDISYFQJH-UHFFFAOYSA-N 323.381 3.437 0 40 DGAB CCOc1c(Cl)cc(Cl)cc1CNn1cn[nH]c1=S 8253446 UNVLORCMZXHRIP-UHFFFAOYSA-N 319.217 3.390 0 40 DGAB COCCCn1cnnc1SCc1c(F)cccc1Cl 43464317 KOJXBQZRQVGYHD-UHFFFAOYSA-N 315.801 3.399 0 40 DGAB CCCc1noc([C@@H](C)N2CCO[C@H](c3ccc(F)cc3)C2)n1 34865630 FWJQPKPJVFOWAS-DOMZBBRYSA-N 319.380 3.296 0 40 DGAB CCC[C@H](C)NC(=O)Nc1cc(C(=O)NC2CC2)ccc1C 47988299 FFPNMWLQFXGOPU-LBPRGKRZSA-N 303.406 3.197 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)C(=O)NC1CCCCC1 9995105 KSQRBYNULLRZJC-UHFFFAOYSA-N 314.307 3.093 0 40 DGAB O=C(c1ccccc1)N1[C@@H]2CC[C@H](C2)N1C(=O)c1ccccc1 104118785 DVOFIXKNLVBNET-IAGOWNOFSA-N 306.365 3.121 0 40 DGAB COc1ccc(OC[C@H]2[C@@H]3CC[C@H](C3)N2C(=O)C(C)C)cc1 100113907 IINRNKLFRNRMKT-CPUCHLNUSA-N 303.402 3.110 0 40 DGAB C[C@@H](NC(=O)NC[C@@H](O)c1cccc(F)c1)c1cccc(F)c1 58343970 GFXRTWNWPCDWHV-BDJLRTHQSA-N 320.339 3.059 0 40 DGAB CNc1nc(SCc2nc(C(C)C)no2)nc2ccccc12 12740337 XTNOEBSQMVHEOM-UHFFFAOYSA-N 315.402 3.470 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H]1CCCc2ccccc21 36411669 PTXWFKNFADOQRV-IYJAJMOOSA-N 323.392 3.409 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(Cl)cc2)s1 3384693 LAAWFFMIHMYDEO-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB CCCOc1cc(S(=O)(=O)N[C@H](C)CC)ccc1Cl 11614066 VJPBSFOWAQUCAU-SNVBAGLBSA-N 305.827 3.206 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2cc(C)cc(C)c2)c1 2651630 FKRGPVZGAGULCB-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB O=C(NCc1cccs1)c1ccc(OC[C@@H]2CCCO2)cc1 2664206 YLXCOEKMMBAIEP-HNNXBMFYSA-N 317.410 3.236 0 40 DGAB O=C(CNC(=O)C1CCCCC1)Nc1ccc(F)c(Cl)c1 3451764 QJLPLVGQZWYTEN-UHFFFAOYSA-N 312.772 3.114 0 40 DGAB O=C(COC(=O)c1cnc(-c2ccccc2)nc1)c1ccccc1 408531495 MBNOVIWHVURSHM-UHFFFAOYSA-N 318.332 3.183 0 40 DGAB CC(=O)c1ccccc1NC(=O)C[C@H](C(=O)O)c1ccccc1 13466744 DUMCEFDHSLERHS-HNNXBMFYSA-N 311.337 3.086 0 40 DGAB COc1ccc(CC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 4084220 XSDJRAZYDWBMQX-UHFFFAOYSA-N 320.392 3.304 0 40 DGAB biogenic CN1CCC(NC(=S)Nc2cc(Cl)cc(Cl)c2)CC1 13775563 CIAQXIAKKFXVNR-UHFFFAOYSA-N 318.273 3.374 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)c2ccc(CNC(C)=O)cc2)cc1 39977641 BPUNCVVPZPEYLP-CQSZACIVSA-N 324.424 3.376 0 40 DGAB Cc1csc([C@@H]2CN(c3ncnc4sccc34)CCO2)n1 65466143 SUQRDFKBLLWLTN-NSHDSACASA-N 318.427 3.034 0 40 DGAB Cc1ccccc1[C@@H]1CCCN1c1ncnc2c1CN(C)CC2 65474765 UREFAZAOGVKSHT-SFHVURJKSA-N 308.429 3.114 0 40 DGAB C[C@]1(c2ccccc2Cl)NC(=O)N(Cc2ccccc2)C1=O 4477839 PYSPTTSUUGKVIV-QGZVFWFLSA-N 314.772 3.307 0 40 DGAB C[C@@H](OC(=O)CCC1CCCC1)c1nc2ccccc2c(=O)[nH]1 5356177 SKQMVRDIWDYKAB-GFCCVEGCSA-N 314.385 3.498 0 40 DGAB COC(=O)c1cccc(C(=O)Nc2c(C)nn(C(C)C)c2C)c1 65626413 GUFRNVZOLUFEGV-UHFFFAOYSA-N 315.373 3.120 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)c1nc2ccccc2c(=O)[nH]1 5666350 XCFZHDYJRNWGPO-JTQLQIEISA-N 314.366 3.211 0 40 DGAB CC(C)(C)NC(=O)COc1ccc(CNC2CCCC2)cc1 6882409 MTJIMPFOLJMEBY-UHFFFAOYSA-N 304.434 3.012 0 40 DGAB O=C(CN1CC=C(c2ccccc2)CC1)NCc1cccs1 7985484 AUZVOQZKLDEJPC-UHFFFAOYSA-N 312.438 3.154 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@H]1C1CCCCC1 71819906 ZCYHQFPEZYJXRD-KRWDZBQOSA-N 324.428 3.452 0 40 DGAB O=C(OCc1nc2ccccc2o1)c1ccc2nccnc2c1 8333227 RCQBSSMXCPXGKF-UHFFFAOYSA-N 305.293 3.128 0 40 DGAB O=C(Nc1cccc(-c2nc[nH]n2)c1)c1ccc(O)c(Cl)c1 72287603 PAEUVQFXABYLHR-UHFFFAOYSA-N 314.732 3.083 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 69976372 DCMMWSZERHOZMJ-IBGZPJMESA-N 323.440 3.466 0 40 DGAB CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1cccc(C)c1 8772753 FXPLLSCGFSLNKC-UHFFFAOYSA-N 306.365 3.390 0 40 DGAB NC(=O)c1cc(-c2ccccc2)sc1NC(=O)C1CCC1 70755423 MASWNDCGXGKGBK-UHFFFAOYSA-N 300.383 3.253 0 40 DGAB Cc1nc2ccc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)O)cc2s1 84290362 VNUABFSYDNOHCU-RYUDHWBXSA-N 318.398 3.434 0 40 DGAB C[C@@H]1OCC[C@@H]1NC(=O)C1(Sc2ccccc2)CCCC1 95449903 RYSIOUXTBIQNHJ-ZFWWWQNUSA-N 305.443 3.385 0 40 DGAB O=C(NCc1cccnc1)N[C@H](Cc1ccccc1)C(F)(F)F 95419091 MQYVBGXJDOXJBB-CQSZACIVSA-N 323.318 3.054 0 40 DGAB CCc1ccsc1CNC(=O)N[C@@H](C)C[C@H](O)c1ccco1 95413613 MDUVESYOOZFATF-AAEUAGOBSA-N 322.430 3.215 0 40 DGAB CCSc1cccc(NC(=O)N(C)C[C@H]2CCC[C@H]2O)c1 95974352 PULVWXFEVVHQLG-IUODEOHRSA-N 308.447 3.423 0 40 DGAB Cc1cc(C)cc(OCCC(=O)OCc2cn3ccccc3n2)c1 89585476 WEZDDMCPPPCBLZ-UHFFFAOYSA-N 324.380 3.463 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N(C)[C@@H](C)c2ccncc2)C1 76088371 XOSDUTDKPYYULC-AEGPPILISA-N 307.463 3.458 0 40 DGAB CCCC(=O)NCCc1csc(-c2ccc(OC)cc2)n1 27994464 SLDJRDKBUGCRCU-UHFFFAOYSA-N 304.415 3.278 0 40 DGAB COc1ccc(CN2C(=O)CN=C2Nc2cccc(C)c2C)cc1 20143129 NXCQMKWJGACONV-UHFFFAOYSA-N 323.396 3.122 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N2CC[C@H](c3ccccc3)C2)cc1 121575197 DEKQULAMHDFDJQ-SFHVURJKSA-N 322.408 3.204 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@H](C)O[C@H](C)C3)c2cc1C 12537640 OQIVGHKRWFUAMN-OKILXGFUSA-N 301.386 3.019 0 40 DGAB biogenic Cc1ccsc1C(=O)N1CCC[C@@H](CC(=O)OC(C)C)C1 184281505 GRVIXCXCDQYWKU-ZDUSSCGKSA-N 309.431 3.250 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CNc1ccc(CNS(C)(=O)=O)cc1 182631605 VNNIUCCBCWDRJV-PBHICJAKSA-N 322.474 3.140 0 40 DGAB COc1cccc(C(=S)NCCc2ccccc2)c1OC 408576239 WJMMMDMHFVEDKH-UHFFFAOYSA-N 301.411 3.212 0 40 DGAB Cc1c[nH]cc1C(=O)N1CCC2(CCC(N(C)C)CC2)CC1 520395024 PDMQTBVQRLTZGK-UHFFFAOYSA-N 303.450 3.050 0 40 DGAB Cc1nc(Oc2ccc(-c3ccccc3)nc2)nc(N(C)C)n1 537685976 AUBWMDXNESRTRV-UHFFFAOYSA-N 307.357 3.100 0 40 DGAB O=C(c1cn[nH]c1-c1cccc(Br)c1)N1CCCC1 72328674 RZOGHUOSKKYRHB-UHFFFAOYSA-N 320.190 3.075 0 40 DGAB Cc1cc(C(=O)N2CCC[C@]2(C)Cc2ccc(F)cc2)ncn1 566081926 CKLWRXHSVVZBOJ-GOSISDBHSA-N 313.376 3.162 0 40 DGAB CCCNC(=S)Nc1nc(C)cc(Nc2ccc(F)cc2)n1 225202896 RHNXNPZDCPBJCV-UHFFFAOYSA-N 319.409 3.364 0 40 DGAB Cc1ccc(OCc2cc(C)no2)c(C(=O)NCC(C)C)c1 63460794 KEIJZMOBHFHSBQ-UHFFFAOYSA-N 302.374 3.256 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2cccs2)c1 225394870 JZGHFOWHSCUMTK-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB CCOc1ccccc1CNC(=S)Nc1ccc(C)cn1 225444022 KQYYFXCKJPPPDF-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB CCOC(=O)c1sc(/C=C/c2cn(C(C)(C)C)nn2)nc1C 191290680 WYUVHULQDQXBGR-BQYQJAHWSA-N 320.418 3.145 0 40 DGAB CC(C)(C)c1ccc(NC(=O)C(=O)NCc2cccs2)cc1 42646568 LTSUPXXHNQYHFI-UHFFFAOYSA-N 316.426 3.301 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cc(C)n(C)c1C 222779850 BLSLRQPQWUCVPF-JKSUJKDBSA-N 314.458 3.029 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 225988872 BVKDUKYSZLTPPI-UHFFFAOYSA-N 323.392 3.463 0 40 DGAB C[C@H]1Cc2ccccc2N1CCCNC(=O)c1cccc(F)c1 224959151 MCQMUQNMBBYZLN-AWEZNQCLSA-N 312.388 3.397 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](CNc2nnc(C3CC3)s2)C1 195575660 SBXGGBVUZJMJGD-SNVBAGLBSA-N 324.450 3.084 0 40 DGAB CCOCCCn1c(CCC(=O)O)nc2cccc(Cl)c21 95095645 LWUJRNHQJVODJQ-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB CSCc1ccccc1NC(=O)NC[C@@H]1CCC[C@@H](O)C1 97376603 IXCGGJBICISREG-TZMCWYRMSA-N 308.447 3.222 0 40 DGAB CC[C@@](C)(NC(=O)COc1ccc(C)cc1)c1nccs1 96416619 IYXGKAFKBGSEHG-MRXNPFEDSA-N 304.415 3.272 0 40 DGAB c1cc2n(n1)C[C@H](COCC1CC1)CN(Cc1ccsc1)C2 96189089 DGVJBZJIDDZUKQ-MRXNPFEDSA-N 317.458 3.003 0 40 DGAB Cc1cccc2c1nc1n2[C@@H](CNCc2ccccc2)COC1 96112639 UULWZOZHGMJEJD-INIZCTEOSA-N 307.397 3.206 0 40 DGAB biogenic,in-vitro N[C@@H](c1ccc(F)cc1)c1n[nH]c(-c2cccc(Cl)c2)n1 95533255 JDLLBPHTKOYPKZ-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB CC(C)c1cc(C(F)(F)F)n2nc(C3CCNCC3)cc2n1 257278462 OCJSCIXSYLAFND-UHFFFAOYSA-N 312.339 3.339 0 40 DGAB CCO[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)F)c(F)c1 252487094 HSKCREWISDNSGE-QMMMGPOBSA-N 309.259 3.130 0 40 DGAB O=C(Cc1ccc(Cl)cc1)N1CCC[C@@H]1c1ccncn1 585120868 RNILDZDCRVZFEM-OAHLLOKOSA-N 301.777 3.036 0 40 DGAB CC(C)[C@H]1O[C@H]2c3cccc(O)c3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257259894 LAOKIBIJAHRYEN-GBOPCIDUSA-N 320.385 3.366 0 40 DGAB CC(=O)N1CCc2cc(N[C@@H](C)c3nc(C(C)C)no3)ccc21 26984273 ULEYOJPEVZUIFW-NSHDSACASA-N 314.389 3.275 0 40 DGAB COC(=O)c1coc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)c1 97115333 BUTPNUIYNRVCSY-CQSZACIVSA-N 317.316 3.183 0 40 DGAB C[C@@H](Sc1nnc(-c2ccc(C(C)(C)C)cc2)o1)C(N)=O 5795293 YUJZUFKJISFNHN-SECBINFHSA-N 305.403 3.000 0 40 DGAB COc1ccc(-c2cc(C(=O)N3C[C@H](C)C[C@@H](C)C3)[nH]n2)cc1 13366619 BYEJUYVFMBRMII-CHWSQXEVSA-N 313.401 3.203 0 40 DGAB Cc1ccc2[nH]cc(NC(=O)N[C@H](C)c3ccncc3)c(=O)c2c1 13565942 AFLZEXFXYWQUHD-GFCCVEGCSA-N 322.368 3.114 0 40 DGAB Cc1ccc2cc(CNCCc3ccccc3)c(=O)[nH]c2c1C 13566541 RRGGBBOKJPDYMN-UHFFFAOYSA-N 306.409 3.477 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCc1ccc(C)cc1 14400938 TYWCZKWCZUXZDQ-GOSISDBHSA-N 313.397 3.477 0 40 DGAB CC(C)c1ccc(-n2ccnc2SC[C@@H]2CNC(=O)C2)cc1 521394955 FYOYJWURCASBKM-ZDUSSCGKSA-N 315.442 3.224 0 40 DGAB C[C@@H]1CCCN(C(=O)COC(=O)c2ccc3ccccc3c2)C1 6460900 SZWJDTPNLLKALW-CQSZACIVSA-N 311.381 3.255 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N)cc2Br)cc1 36738583 JJCKQYQMKDBXHF-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)Nc1ccc(F)cc1F 45866057 KUUYYYZEMQLLLK-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB COc1ccccc1C(=O)Nc1nc(-c2ccccc2)ns1 2889430 CYNWBJIDJFQIFE-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCCCOc1ccc(NC(=O)NCC2CCN(C)CC2)cc1 38573018 VKYIJSXEKFKBBL-UHFFFAOYSA-N 319.449 3.329 0 40 DGAB CCOCc1ccccc1CNC(=O)c1cc(F)ccc1F 30178950 JSPHVMLAAUMHPG-UHFFFAOYSA-N 305.324 3.431 0 40 DGAB Cc1nc(C)c2c(C)c(C(=O)Nc3nnc(C)s3)sc2n1 40488951 GUKAIIUWCKYGRB-UHFFFAOYSA-N 319.415 3.029 0 40 DGAB Cc1nc2cccc(C(=O)N3CCN(c4ccccc4)CC3)c2o1 108497 KJPPMKPDCJNNKK-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@H](c1ccccc1)CC(O)=N2 20722447 KLBXRDLHGLOEMW-ZDUSSCGKSA-N 305.341 3.094 0 40 DGAB CC(C)N(C1CC1)S(=O)(=O)c1cccc(Br)c1 32824071 WXTLWDRRNJXOIR-UHFFFAOYSA-N 318.236 3.011 0 40 DGAB COc1ccccc1CNC(=O)NCc1ccccc1Cl 32862420 RDWPTRDLOBNUAQ-UHFFFAOYSA-N 304.777 3.348 0 40 DGAB CN(C)C(=O)[C@H]1CCCN1Cc1ccc(-c2ccccc2)cc1 22014198 QRRFZVBJAMOJFL-LJQANCHMSA-N 308.425 3.406 0 40 DGAB COc1ccc(C(=O)OCC(=O)c2ccc(Cl)cc2)cc1 72805 JPIIWCDPJJHHBR-UHFFFAOYSA-N 304.729 3.388 0 40 DGAB Cc1cc(C)n(C[C@@H](O)COc2ccc(Cl)cc2Cl)n1 74278 KVOFLDCYFQEUDD-GFCCVEGCSA-N 315.200 3.247 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)Nc1ccc2c(c1)OCCO2 414143 ISTQDQWCNXPHNW-UHFFFAOYSA-N 308.337 3.120 0 40 DGAB CCN(CC)C(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 804880 RXNYETUBXGYSOA-UHFFFAOYSA-N 320.396 3.416 0 40 DGAB CCOC(=O)Cc1csc(Nc2ccc(OCC)cc2)n1 1623193 WZWKPUUQMDGQDK-UHFFFAOYSA-N 306.387 3.391 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@@H](c2ccc(F)cc2)C1(F)F 3185361 ZIXKEBBJKLUULS-AWEZNQCLSA-N 321.254 3.278 0 40 DGAB COc1ccccc1NC(=O)COC(=O)CCC1CCCC1 3321485 XGGHXMUYRDEVMQ-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)c1ccccc1 3398809 NIOCPYBBCYYMET-UHFFFAOYSA-N 301.367 3.204 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1F)NCCC1=CCCCC1 3434984 BHUUQEFOLNTAAU-UHFFFAOYSA-N 323.339 3.128 0 40 DGAB O=C(CSc1ccc(Cl)cc1)NC(=O)NCc1ccco1 3515022 YHYQKNZPPVRNOW-UHFFFAOYSA-N 324.789 3.051 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccccc2F)cc1Cl 3581480 DCXOXUUVCNZICG-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@@]2(C)C(=O)CC[C@H]12 3843863 FJZKBPUBWKYMHG-XWAIHFENSA-N 302.414 3.346 0 40 DGAB biogenic c1coc(-c2nc3nc4ccccc4nc3n2C[C@@H]2CCCO2)c1 4040003 CJYOGHXSGNXVLB-LBPRGKRZSA-N 320.352 3.419 0 40 DGAB N[C@@H]1N=C(c2cc(Cl)ccc2Cl)c2ccccc2NC1=O 4203212 LIBGJZUMLAQBNN-CQSZACIVSA-N 320.179 3.068 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCCO3)c1cccs1 4348359 IHBTZJQOEVLKSC-UHFFFAOYSA-N 318.379 3.381 0 40 DGAB CC(C)NC[C@H](O)COCC(c1ccccc1)c1ccccc1 4530112 AZXWHABBGVWNIN-IBGZPJMESA-N 313.441 3.194 0 40 DGAB O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCCC1 4744938 HDOKEMNJNUOTOS-HNNXBMFYSA-N 306.837 3.174 0 40 DGAB Cc1cccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)c1 6747740 KSVMZUKKANSLIR-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB S=c1[nH]nc(-c2ccncc2)n1NC/C=C/c1ccccc1 7601817 LQMZXLGAOZMCGG-QPJJXVBHSA-N 309.398 3.260 0 40 DGAB Cc1ccc(CC(=O)NCCn2c(C)nc3ccccc32)cc1 8173897 UCSDPMRPSOFBME-UHFFFAOYSA-N 307.397 3.012 0 40 DGAB Cc1nc(CSc2nnnn2-c2ccc(C)c(C)c2)cs1 9482364 FEEWOEXBHGAIRS-UHFFFAOYSA-N 317.443 3.336 0 40 DGAB COc1cc(NC(=O)[C@@H]2CC=CCC2)ccc1N1CCCC1=O 11447062 RQDVSQSRSVUKKH-CYBMUJFWSA-N 314.385 3.117 0 40 DGAB COc1ccc(C2(c3nc(CC(=O)O)cs3)CCC2)cc1 11833478 AZQABRSTEMOHKY-UHFFFAOYSA-N 303.383 3.249 0 40 DGAB C=C1c2ccccc2C(=O)N1CCC(=O)N[C@@H](C)c1ccccc1 12982176 NPHTVTJKPQJQLA-AWEZNQCLSA-N 320.392 3.381 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1 13938139 GNUNXVUPIWEEJW-CQSZACIVSA-N 319.426 3.433 0 40 DGAB Fc1ccc(Oc2ccc3nnc(C(F)(F)F)n3n2)cc1F 14215878 BCPGEXYOYSUNGA-UHFFFAOYSA-N 316.189 3.214 0 40 DGAB Cc1cnc2[nH]c([C@@H]3CCCN(C(=O)c4cccnc4)C3)cc2c1 19126058 XSVIFAFIHYZTHI-OAHLLOKOSA-N 320.396 3.286 0 40 DGAB COc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@H]2C3)CC1 19359710 UOKVAMYHHWWGJP-ZIFCJYIRSA-N 312.457 3.025 0 40 DGAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCc1cccnc1 20104221 NEEJTBDDLHIFLK-CQSZACIVSA-N 304.777 3.209 0 40 DGAB O=C(CNc1ccc(Cl)cc1F)NCCc1ccc(F)cc1 21887351 KUBJIRRCIDPYOJ-UHFFFAOYSA-N 324.758 3.389 0 40 DGAB COc1cc(CNCc2ccc(OC)c(OC)c2)cc(OC)c1 22772227 CBJRGVCMQKBFCX-UHFFFAOYSA-N 317.385 3.011 0 40 DGAB O=C(CCc1ccco1)N1CCC([C@H](O)c2ccccc2)CC1 23385747 ZIHHRIVZLHXZLQ-LJQANCHMSA-N 313.397 3.184 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)CSc2ncc3ccccn23)[C@@H]1C 24456958 VMDURFJCFWWOML-NFAWXSAZSA-N 317.458 3.367 0 40 DGAB O=C(NC[C@H](c1cccs1)N1CCCC1)c1ccccc1F 27582282 LUYMJCROEYTLTI-OAHLLOKOSA-N 318.417 3.454 0 40 DGAB CSc1ccc(Cl)c(C(=O)N[C@H](C)c2cnn(C)c2)c1 27919175 IZIQEOHHKVICGC-SECBINFHSA-N 309.822 3.286 0 40 DGAB CC(C)Nc1nnc(SCc2noc(C(C)(C)C)n2)s1 28008072 MUGZZOIFPGVITA-UHFFFAOYSA-N 313.452 3.331 0 40 DGAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)n1cc(Br)cn1 32611617 ALFJFXCEHMDFLV-MNOVXSKESA-N 322.206 3.084 0 40 DGAB Cc1cccc(CNS(=O)(=O)c2ccc(F)cc2Cl)c1 32760541 APOGWBKHVLYPKX-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB CCCc1n[nH]c(SCC(=O)N2CCC[C@H]3CCCC[C@H]32)n1 32907146 YJVFILZWQFHZCZ-CHWSQXEVSA-N 322.478 3.031 0 40 DGAB Cc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc32)s1 33055284 FKAXDBBDHRTWIE-LBPRGKRZSA-N 300.427 3.238 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)N(C)Cc1ccccc1F 36739176 LFHOMEVENLFDMM-SJCJKPOMSA-N 315.344 3.013 0 40 DGAB Nc1[nH]nc(C(F)(F)F)c1-c1cccc(Br)c1 36766075 GWTMFEQHFDSUIA-UHFFFAOYSA-N 306.085 3.440 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CCO1 40024228 ZXUHWKXZWKTRDZ-LLVKDONJSA-N 305.374 3.415 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)NCC(C)(C)CN(C)C 40062640 AGFMIIBXMIWVOS-UHFFFAOYSA-N 321.446 3.029 0 40 DGAB CCc1cccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1 40098809 IVFWZRCCZVMLTC-MRXNPFEDSA-N 320.339 3.382 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2cccnc2)c1 40473008 SBISOCMAKUZPDM-INIZCTEOSA-N 312.369 3.076 0 40 DGAB CCN(C(=O)C[C@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 45909619 PJUCNVSUEQAONZ-CYBMUJFWSA-N 324.833 3.154 0 40 DGAB C[C@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1F 48332674 KLYBZQVXANHCEU-LBPRGKRZSA-N 314.339 3.396 0 40 DGAB Cc1ccc(CNC(=O)CCSCc2csc(C)n2)cn1 49200787 LDKJZPLNHOPNIB-UHFFFAOYSA-N 321.471 3.095 0 40 DGAB Cn1cc(-c2nc(C(=O)N3CC[C@H]3c3ccccc3)cs2)cn1 53085784 JKCMCJYJOZQCOR-HNNXBMFYSA-N 324.409 3.131 0 40 DGAB CC(=O)c1cccc(NC(=O)NCc2ccc([C@@H](C)O)cc2)c1 58231175 OEVUVXZNMCFZPY-GFCCVEGCSA-N 312.369 3.264 0 40 DGAB CCOCCOC(=O)[C@H](C)Oc1cccc(Cl)c1Cl 58798576 FUAFHWHLXZMJSL-VIFPVBQESA-N 307.173 3.340 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3csc(C4CC4)n3)C2)c1 69415731 VLUGYRXEXBDFAU-ZDUSSCGKSA-N 316.430 3.003 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccn(CCc3ccncc3)n2)c1 69515054 AKAKOCDWTHXSNA-UHFFFAOYSA-N 320.396 3.390 0 40 DGAB CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2occc12 72240197 PPDFWYCVKJMYQO-STQMWFEESA-N 317.385 3.469 0 40 DGAB CCc1ccc(NC(=O)Nc2ccn(CCCOC)n2)cc1 72290986 YTTFXPBITVQEBK-UHFFFAOYSA-N 302.378 3.126 0 40 DGAB C[C@H]1CCCN(c2ncc(-c3nccn3C)c(-c3ccco3)n2)C1 72340759 RYDIIPINCFIXLV-ZDUSSCGKSA-N 323.400 3.373 0 40 DGAB Cc1cc(NC(=O)Nc2ccc(N3CCCCC3)nc2)no1 73360805 HKBPUQMVAXWAJC-UHFFFAOYSA-N 301.350 3.012 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)c3ccsc3)C2)n[nH]1 76060098 QMHIEHHEXVZYDT-OLZOCXBDSA-N 303.431 3.289 0 40 DGAB COC[C@@H](C)NC(=O)Nc1cccc(N2CCCCCC2)c1 77723796 AGHGBAIZWHFFBK-CQSZACIVSA-N 305.422 3.223 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc3c(c2O)OC(C)(C)C3)CC1 78441334 GLPPVXVUSGXDAN-GFCCVEGCSA-N 303.402 3.368 0 40 DGAB CNC(=O)C(=O)Nc1ccc(-c2ccccc2)c(C(F)(F)F)c1 83881776 KSENMPAXSSPZHZ-UHFFFAOYSA-N 322.286 3.057 0 40 DGAB O=C(c1ccc(Cl)s1)N1CCO[C@H](Cc2ccccc2)C1 85473044 RXIYWDXBLMCFRQ-CYBMUJFWSA-N 321.829 3.485 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@H]1c1ccc(C)o1 89652620 QHRSFNSHYBWWBB-AWEZNQCLSA-N 315.373 3.038 0 40 DGAB O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1)c1ccco1 91059629 PPJZJMBYCZFZNH-OCCSQVGLSA-N 309.724 3.332 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)[C@H]1COc2ccccc21 95396683 ZVIYSDIBXJITMN-HNNXBMFYSA-N 305.337 3.191 0 40 DGAB CN(Cc1cc(F)c(F)c(F)c1)C(=O)NC[C@H]1CCCS1 95991071 BEWIJECVFLSBOI-SNVBAGLBSA-N 318.364 3.141 0 40 DGAB CC[C@](C)(NC(=O)COc1ccc(C)cc1)c1nccs1 96416618 IYXGKAFKBGSEHG-INIZCTEOSA-N 304.415 3.272 0 40 DGAB OC1CCN(c2ccccc2NCCOc2ccccc2)CC1 96453391 YATUYHUSTSSVHD-UHFFFAOYSA-N 312.413 3.139 0 40 DGAB Cc1cc(C(=O)OCc2cncs2)c2cnn(C(C)C)c2n1 97050392 CUECXADZCVFGKJ-UHFFFAOYSA-N 316.386 3.134 0 40 DGAB COc1ccc(Cl)cc1NC(=O)NC[C@@H](C)Cn1ccnc1 97102359 NESRWCWYDYRQEH-LLVKDONJSA-N 322.796 3.003 0 40 DGAB CSc1c(F)cc(NC(=O)NC2(C)CCOCC2)cc1F 97107731 RUIWPOPARXTMOP-UHFFFAOYSA-N 316.373 3.377 0 40 DGAB CCN1C(=O)[C@@H](Cc2ccc(OC)cc2OC)c2ccccc21 101014404 KMBXGXMYHMNQRR-INIZCTEOSA-N 311.381 3.397 0 40 DGAB FC(F)(F)Oc1ccc(I)c(Cl)n1 118594163 AZPLTOZWQMTGIM-UHFFFAOYSA-N 323.439 3.238 0 40 DGAB CCc1nnc2ccc(N[C@@H](c3ccccc3)[C@H]3CCCO3)nn12 172145306 BPJHGPSCLRYIQF-KDOFPFPSSA-N 323.400 3.019 0 40 DGAB COCc1ccccc1NC(=O)Nc1cc([C@H]2C[C@H]2C)n[nH]1 192218694 GKRCICUENIAPAL-PWSUYJOCSA-N 300.362 3.324 0 40 DGAB CCCC(=O)N(Cc1ccccc1Cl)[C@@H](CC)C(=O)NCC 224309040 NYYCYUZQQHBUNA-HNNXBMFYSA-N 324.852 3.383 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(COc3ccc(Cl)cc3)=NN[C@@H]2C1 228925409 JMLZUTQGMWDMLP-DOMZBBRYSA-N 306.793 3.052 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CCO1 253369458 CUSBMZJTBYLZKV-XYJFISCASA-N 322.493 3.105 0 40 DGAB Cn1cc(CN2CCC[C@H](c3ccncn3)C2)c2cc(F)ccc21 257216032 CSURNDWXUXWRNY-AWEZNQCLSA-N 324.403 3.487 0 40 DGAB Cc1cncc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257222111 DRZGNNIZYYKDAL-OAGJVSPASA-N 307.397 3.204 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)CCc3ccccc3)CC[C@@]2(C)C1 257299507 RQJVYISWTYNXBM-LMMKCTJWSA-N 301.430 3.425 0 40 DGAB Cn1ccc([C@H]2CCCN(C(=O)c3ccc(Cl)s3)C2)n1 390830196 JKEZZIHHLNZKCS-JTQLQIEISA-N 309.822 3.155 0 40 DGAB CCOC(=O)c1c(OC)cc(C)nc1OCc1ccccc1 584634113 WQXJNMHUNVAZNK-UHFFFAOYSA-N 301.342 3.154 0 40 DGAB CCC1(CNC(=O)Cc2nc(C(F)(F)F)cs2)CCC1 1587629822 RJWAZBKEWTUDKT-UHFFFAOYSA-N 306.353 3.401 0 40 DGAB Cc1ccc(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)cc1C 1772714667 FXLQNAUJTCIMLW-AWEZNQCLSA-N 307.390 3.214 0 40 DGAB Cc1nnsc1C(=O)NCc1cc(-c2ccco2)cs1 1775968769 VEIPAAPLAANNNS-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB CC(C)CCNC(=O)C1CCN(Cc2ccccc2F)CC1 299638 XCUVSBXUKLBSOB-UHFFFAOYSA-N 306.425 3.200 0 40 DGAB COc1ccccc1[C@H]1N(c2ccccc2)C(=O)N2CCCN12 552718 LQQHZJAKNBIYGF-QGZVFWFLSA-N 309.369 3.257 0 40 DGAB CCC(=O)c1cn(CC(=O)N2CCC(C)CC2)c2ccccc12 560808 VPMXUFLNTKLJJZ-UHFFFAOYSA-N 312.413 3.493 0 40 DGAB CCCNC(=O)N[C@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649238 UMVFHMDXMXKKSU-GFCCVEGCSA-N 324.686 3.037 0 40 DGAB COc1ccc(-n2cc3cnnc(-c4ccccc4)c3n2)cc1 3282576 YGBBKAOOVSVPSZ-UHFFFAOYSA-N 302.337 3.491 0 40 DGAB S=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccccc1 3436924 MDIIRHRNFTZIPI-HNNXBMFYSA-N 315.442 3.403 0 40 DGAB CCC(C)(C)NC(=O)c1cc(OC)ccc1Br 3551704 FAHJKPURAWQQFW-UHFFFAOYSA-N 300.196 3.376 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)/C=C/c1ccco1 3553684 VUVKJRBLJWJBAF-CMDGGOBGSA-N 318.760 3.043 0 40 DGAB C/C(=C\c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 5430582 RXJVUAUDFUNCSU-GQCTYLIASA-N 306.101 3.094 0 40 DGAB S=C(c1ccc(OCc2ccccc2)cc1)N1CCOCC1 5603372 GULKRCNDFJMCHB-UHFFFAOYSA-N 313.422 3.273 0 40 DGAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)NC1CCCCC1 6063979 FQVAWPJAQNWPLH-UHFFFAOYSA-N 319.445 3.195 0 40 DGAB COCc1nnc2sc(-c3ccc(Cl)cc3Cl)nn12 6719932 QOORUHNKUTTZDF-UHFFFAOYSA-N 315.185 3.306 0 40 DGAB COc1ccc(C(=O)NCCCOC2CCCCC2)c(OC)c1 6988837 ZIPCYOJQVGOCSQ-UHFFFAOYSA-N 321.417 3.173 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)[C@@H](CC(C)C)NC(N)=O)cc1 7785347 OXXQVRRKZVQWAO-IUODEOHRSA-N 305.422 3.222 0 40 DGAB O=C(NCCc1ccccn1)c1ccc2c3c(cccc13)CC2 8707798 OTZPMONQLXNZSC-UHFFFAOYSA-N 302.377 3.306 0 40 DGAB O=c1cc(CSc2ccccn2)nc2ccc(Cl)cn12 9157838 GGHBUIQIWVLDNW-UHFFFAOYSA-N 303.774 3.035 0 40 DGAB CC(C)NC(=O)c1ccc2c(c1)C[C@@H](c1ccccc1)OC2=O 10090780 BIIOTIRFEQPIBN-KRWDZBQOSA-N 309.365 3.279 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)c1 10106667 LPJTWSXYHNLHLD-CYBMUJFWSA-N 300.427 3.442 0 40 DGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccc(F)cc1 10449993 SGZVADSXZZFOIB-LBPRGKRZSA-N 305.374 3.107 0 40 DGAB Cc1cccc(CN2CCC[C@@H](n3c(=O)oc4ccccc43)C2)n1 12089309 TYZCCWXMNMOGKD-MRXNPFEDSA-N 323.396 3.135 0 40 DGAB Cc1cccc2c(O)c(C(=O)NCCc3ccccc3)cnc12 12498536 XZIPZOJQSBKXJN-UHFFFAOYSA-N 306.365 3.221 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Nc1ccccc1F)c1ccccc1 12538823 BYPIRTAWJNSWNG-INIZCTEOSA-N 324.359 3.470 0 40 DGAB Cc1nc(-c2ccccc2)sc1C(=O)N1C[C@H](C)O[C@@H](C)C1 12781216 BVUPMWDDSKVKPX-RYUDHWBXSA-N 316.426 3.368 0 40 DGAB CC(C)(C)n1nnnc1SCc1coc(-c2ccccc2)n1 14676295 KAAAHVLWVYMTDI-UHFFFAOYSA-N 315.402 3.375 0 40 DGAB CN1CCCN(C(=O)CC(C)(C)C)c2nc3ccccc3nc21 17364282 DKKUNLNCXWUONA-UHFFFAOYSA-N 312.417 3.239 0 40 DGAB O=C(NCCn1ncc(-c2ccncc2)c1C1CC1)C1CCCC1 19405775 LIBVWMHPVYCMPW-UHFFFAOYSA-N 324.428 3.129 0 40 DGAB CC(C)CCSc1nc2nc3c(cn2n1)C(=O)C[C@H](C)C3 20632327 MQWXXUXWSZDMNJ-SNVBAGLBSA-N 304.419 3.028 0 40 DGAB O[C@H](CNC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 22029971 QKQLDJIRSWQZPF-QZTJIDSGSA-N 314.429 3.130 0 40 DGAB Cc1nnc([C@H]2CCCN(C(=O)/C=C\c3ccccc3)C2)s1 23140579 NVSCPQFZJCKRCB-KVPUOBJLSA-N 313.426 3.266 0 40 DGAB C[C@@H](OCc1ccccc1)C(=O)Nc1ccc2c(c1)CCC(=O)N2 25145841 PCWUMNLEBGPMAP-CYBMUJFWSA-N 324.380 3.115 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)NCc1ccc(Cl)s1 25912249 DKTPLBVSQDXZSC-UHFFFAOYSA-N 304.202 3.027 0 40 DGAB C[C@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(C(C)(C)C)no1 27018313 LZLVWHNBRIYIGE-JTQLQIEISA-N 314.389 3.425 0 40 DGAB O=S(=O)(Cc1ccccc1)NC1(c2ccccc2)CCC1 30384612 PIPPQUNSCIWUNM-UHFFFAOYSA-N 301.411 3.185 0 40 DGAB COc1cccc([C@H](NCc2ccsc2)c2nccn2C)c1 30648124 LZZPFOMMSQHVQZ-INIZCTEOSA-N 313.426 3.369 0 40 DGAB CCOc1cccc(CNC(=O)COc2ccc(CC)cc2)c1 30862372 FBBSMGQQXPMXFJ-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2cc3occc3n2C)cc1 36360440 DUYNKAQYKPDCHA-UHFFFAOYSA-N 312.325 3.200 0 40 DGAB O=C1S/C(=C\c2ccccn2)C(=O)N1Cc1ccccc1F 37859012 GJFREZWVSJLGBX-ZROIWOOFSA-N 314.341 3.457 0 40 DGAB COc1ccc(SCC(=O)NCCSC(C)(C)C)cc1 38754224 JEZXLOUGKUJSLT-UHFFFAOYSA-N 313.488 3.435 0 40 DGAB CCCCNC(=O)N1CCC[C@@H](c2nc([C@@H](C)CC)no2)C1 41123205 RVVYTSQQJPQLIA-QWHCGFSZSA-N 308.426 3.272 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NC[C@@H](c2ccsc2)N(C)C)o1 44951240 RESQXFRBMBCMIC-OCCSQVGLSA-N 321.446 3.313 0 40 DGAB O=C(c1cncn1-c1ccccc1)N1CCC[C@H](C(F)(F)F)C1 48355358 MAVKQLOMOLCEGA-LBPRGKRZSA-N 323.318 3.287 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)[C@H]2CC=CCC2)cc1 48910211 ZNQNTEKHYPJPKX-HOCLYGCPSA-N 314.429 3.187 0 40 DGAB Cc1cc2ncn(C[C@H](O)CN(C)c3ccccc3)c2cc1C 51149442 WPMKMEMDBJLVSK-QGZVFWFLSA-N 309.413 3.150 0 40 DGAB COCCOc1ccccc1C(=O)N[C@@H](C)c1ccccc1F 52959683 SLQJSNXTQPYFPY-ZDUSSCGKSA-N 317.360 3.342 0 40 DGAB O=C(Nc1cccc(C2SCCCS2)c1)N1CCOCC1 53909618 KERQZASMCFWYAO-UHFFFAOYSA-N 324.471 3.419 0 40 DGAB Clc1cc2c(c3ncccc13)OCN(C[C@H]1CCCO1)C2 54073035 VLDRDEUNTOQZBL-GFCCVEGCSA-N 304.777 3.219 0 40 DGAB CCOC(=O)c1ccc(Nc2cnn(Cc3ccccc3)c2)nc1 58063294 HJGAAQCQXWCQPW-UHFFFAOYSA-N 322.368 3.247 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 58224863 LVXLXAVHAXDVQE-MRXNPFEDSA-N 316.445 3.072 0 40 DGAB CC(C)c1nnc(CN2CCN(c3ccccc3Cl)CC2)o1 60372788 KGJJMJRSLFZRGB-UHFFFAOYSA-N 320.824 3.169 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2C[C@@H]2c2ccco2)no1 63958705 VCIAYGFMEVTYQK-WDEREUQCSA-N 317.389 3.115 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1c1ncnc2sccc12 65531385 POXLPWJORHLQRN-CQSZACIVSA-N 324.409 3.299 0 40 DGAB CC1(C)CN(C(=O)c2ccnc(Oc3ccccc3)c2)CCO1 65593554 UZTZRDKMHJUNKZ-UHFFFAOYSA-N 312.369 3.125 0 40 DGAB O=C(Nc1ccnc(Sc2ccccn2)c1)c1ccncc1 69453760 VWEAEFSNSWYJOO-UHFFFAOYSA-N 308.366 3.275 0 40 DGAB CC(C)c1ccc(NC(=O)N2CCC(C3OCCO3)CC2)cc1 69492707 MAMOZSULTFDZBT-UHFFFAOYSA-N 318.417 3.427 0 40 DGAB Cc1nc(C2(NC(=O)Nc3nc(C)c(C)s3)CCCC2)no1 69698264 PVJUGKWZTZJWNB-UHFFFAOYSA-N 321.406 3.042 0 40 DGAB COc1cccc(C(=O)NC[C@H](O)c2cccc3ccccc23)c1 70635958 CKMJLYOKYYVVKY-IBGZPJMESA-N 321.376 3.312 0 40 DGAB O=C(c1csc(C(=O)N2CCCCC2)c1)N1CCCCC1 71186144 KTTZUINBRWKVCV-UHFFFAOYSA-N 306.431 3.000 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)Cc2cccc(C)c2)c1 71855225 IFMKDHZREMMWHM-CQSZACIVSA-N 310.397 3.373 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)N2CC[C@H]3CCCC[C@@H]32)c1 71910922 INOPSCJSSUROCS-RKFVTTHHSA-N 306.431 3.220 0 40 DGAB CC(C)(C)OC(=O)N1CCC(n2cnc3ncccc32)CC1 72190673 ZNNCVUKFZAANHY-UHFFFAOYSA-N 302.378 3.003 0 40 DGAB c1ccc(CCCN2CCC[C@H](c3n[nH]c4nccnc34)C2)cc1 72393830 KJZIXWLKJNOYFJ-INIZCTEOSA-N 321.428 3.165 0 40 DGAB c1ccc(CCCN2CCC[C@@H](c3n[nH]c4nccnc34)C2)cc1 72393831 KJZIXWLKJNOYFJ-MRXNPFEDSA-N 321.428 3.165 0 40 DGAB O=C(NC[C@H]1CCCO1)Nc1cc(-c2ccco2)ccc1F 76082457 QFPKMEVLLXBUEB-GFCCVEGCSA-N 304.321 3.386 0 40 DGAB COc1cc(OC)c(NC(=O)N2C[C@H]3CCC[C@@H]32)cc1Cl 76089446 YBQRLYXBKCVWDY-SKDRFNHKSA-N 310.781 3.373 0 40 DGAB COc1ccccc1/C=C/C(=O)OCC[C@H]1CCCCN1C 78253956 OUTHWWNIOKLDRR-SIFUEBAJSA-N 303.402 3.126 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCNCc1cccc(O)c1 78394232 OMGXJDHYFHFVTH-UHFFFAOYSA-N 318.804 3.472 0 40 DGAB CN(Cc1cccs1)C(=O)C1(c2ccccc2)CCOCC1 78765285 XXBOUUFXRFJLDN-UHFFFAOYSA-N 315.438 3.455 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)NCc3ccn(C)c3)c2)o1 81627805 BWUOWJTUZYBZHW-UHFFFAOYSA-N 310.357 3.310 0 40 DGAB CCSc1cccc(NC(=O)NCc2nncn2C2CC2)c1 85591309 SVLYGUPTFIMWJW-UHFFFAOYSA-N 317.418 3.047 0 40 DGAB CCc1nn(C)c(OC)c1CN[C@H]1[C@@H]2CCCC[C@@H]2C1(C)C 89212645 NLLXHZGQNRFMIS-INWMFGNUSA-N 305.466 3.296 0 40 DGAB Cc1nccn1CCN1CCC[C@@H](c2nc3ccccc3o2)C1 89735721 KUHVXYMXSKLAOK-OAHLLOKOSA-N 310.401 3.212 0 40 DGAB O=C(N1C[C@H]2CC=CC[C@H]2C1)C1(c2ccccc2)CCOCC1 89827739 HZEYBBZXQZPTAK-CALCHBBNSA-N 311.425 3.159 0 40 DGAB O=c1[nH]c(/C=C/c2cnc3ccsc3c2)nc2cnccc12 89884913 ZFYFFDQHBZNADW-OWOJBTEDSA-N 306.350 3.098 0 40 DGAB CC(C)Cc1ncc(CN2CCC(c3ccnn3C)CC2)s1 92810623 BQXZIPHQFKITLY-UHFFFAOYSA-N 318.490 3.455 0 40 DGAB COc1ccc([C@H](C)NCc2cn3ccsc3n2)cc1F 95421020 QQWWJKRSIFJHNW-JTQLQIEISA-N 305.378 3.394 0 40 DGAB CC(C)(CN[C@H]1CCCN(c2cccnn2)C1)c1ccccc1 95460053 RNKRTKVTHAQCHS-KRWDZBQOSA-N 310.445 3.013 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H]1CCCC[C@H]1Cc1ccco1 95947380 HWANJUQKSBIAOP-YOEHRIQHSA-N 316.401 3.345 0 40 DGAB O=C(NCCc1cscn1)Nc1cc(-c2ccccc2)on1 95973941 LOZBTXZALCGEEX-UHFFFAOYSA-N 314.370 3.162 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)[C@@H]1CCOC1 95987050 HQWORYUJAYABAP-CQSZACIVSA-N 307.353 3.001 0 40 DGAB C[C@@H]1CCCC[C@H]1N(C)C(=O)CCc1ccccc1C(=O)O 95991811 IGVAKTSETRULGA-CZUORRHYSA-N 303.402 3.355 0 40 DGAB Cc1c(NCc2cnn(C)c2)cnn1-c1cccc(Cl)c1 95994164 JSEVHCFFXZMJLS-UHFFFAOYSA-N 301.781 3.180 0 40 DGAB CO[C@@](C)(CNC(=O)/C=C/c1ccco1)c1ccccc1F 96123442 PGLCJJFSRWUUIL-FVNWOWOISA-N 303.333 3.110 0 40 DGAB Cc1cc(Cn2ncc(Cl)c(Cl)c2=O)c2ccccc2n1 96409758 HGDVSQUZZVTYKG-UHFFFAOYSA-N 320.179 3.455 0 40 DGAB Cc1ccc(N2CCC[C@H](SCc3noc(C)n3)C2=O)cc1 96433420 INCNEQLUENROOP-AWEZNQCLSA-N 317.414 3.115 0 40 DGAB CSc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1F 96435406 GVZZZMRIORYDQK-CYBMUJFWSA-N 323.437 3.250 0 40 DGAB CC(=O)N1CC[C@@H](C(=O)Oc2ccc(Cl)c3ccccc23)C1 96454115 UACGZWAHLJWADR-GFCCVEGCSA-N 317.772 3.267 0 40 DGAB CN(CCc1ccc(Br)cc1)[C@H]1CCCC[C@@H]1O 97021895 SXOQMRVJOCWDSH-GJZGRUSLSA-N 312.251 3.227 0 40 DGAB Cc1cc(C(=O)NCc2ccc(C(=O)O)o2)c(Cl)cc1F 97036078 HAZILFZYXIBAGS-UHFFFAOYSA-N 311.696 3.009 0 40 DGAB CS[C@@H]1CCC[C@@H]1N(C)CC(=O)N[C@H](C)c1cccs1 110642538 JFAKIHSRALTZPJ-MBNYWOFBSA-N 312.504 3.141 0 40 DGAB O=C(c1csnn1)N1CCc2c(Cl)cc(Cl)cc2C1 135602402 PHMINFNZWSIVQM-UHFFFAOYSA-N 314.197 3.043 0 40 DGAB C[C@@H](Cn1ccnc1)NCc1ccc(F)c(C(F)(F)F)c1 163428872 RHWGKPTUCIGSIX-JTQLQIEISA-N 301.287 3.219 0 40 DGAB C[C@@H]1CO[C@H](c2cccc(Cl)c2)CN1Cc1cncnc1 188755124 MDWBPIIPXSCBSY-WBMJQRKESA-N 303.793 3.092 0 40 DGAB CCN(CC)C(=O)[C@H](c1ccccc1)[S@](=O)c1ccoc1C 194638227 LHEKIRLPNSCVGK-KSFYIVLOSA-N 319.426 3.305 0 40 DGAB COC(=O)c1cccc(-c2noc([C@@H]3C[C@@H]3c3ccco3)n2)c1 195531190 VOOFGSNIJAAEEW-QWHCGFSZSA-N 310.309 3.387 0 40 DGAB O[C@@H](CN[C@@H](c1ccccc1)c1ccc(F)cn1)c1ccncc1 195560792 AUNIRMAGBREALY-OALUTQOASA-N 323.371 3.028 0 40 DGAB CC(C)(C)S(=O)(=O)c1ccc(NC(=O)C=C2CCC2)cc1 195576502 OTTCLXRNGAOFET-UHFFFAOYSA-N 307.415 3.308 0 40 DGAB O=C1S/C(=C/c2cccnc2)C(=O)N1Cc1ccccc1F 214381263 QMOOYWPLSIWIDH-RIYZIHGNSA-N 314.341 3.457 0 40 DGAB CCOc1ccccc1CCCNC(=S)Nc1ccncc1 225398594 VJNDXJXJDFIEBC-UHFFFAOYSA-N 315.442 3.400 0 40 DGAB COc1ccc(-c2ncc(C(=O)NCC(C)(C)C)c(C)n2)cc1 226096147 KVMFTHCKAWQVSV-UHFFFAOYSA-N 313.401 3.237 0 40 DGAB Cc1ccc(OC[C@H](O)CN[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 245240028 JZLKIRNVVWNSLK-CWLGOENISA-N 303.446 3.149 0 40 DGAB CCn1cc(C(=O)N2CCC[C@@H]2c2cnccn2)c2ccccc21 257251293 JQDBUISGTZZMJN-GOSISDBHSA-N 320.396 3.429 0 40 DGAB CCOc1ccccc1/C=C1\NC(=O)N(C2CCCCC2)C1=O 409087788 HQVWJFIDAQIOKL-QINSGFPZSA-N 314.385 3.311 0 40 DGAB C[C@@H]1CN(CC(=O)N(C)[C@@H](C)c2ccc(F)c(F)c2)CC[C@H]1C 501775663 MHPQCKFVTCRTHT-MCIONIFRSA-N 324.415 3.462 0 40 DGAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)c1ccc(F)cc1F 511889285 BFFHRHPBXBJYOF-HNNXBMFYSA-N 323.364 3.239 0 40 DGAB Cc1nc(S[C@H]2CCCN(C)C2=O)[nH]c1Cc1ccccc1 539806212 DSRSIVIFTAWJAW-HNNXBMFYSA-N 315.442 3.022 0 40 DGAB CC(C)CCSCc1nc(Cc2ccc(C(N)=O)cc2)no1 547042996 XYSBECABUIFMGO-UHFFFAOYSA-N 319.430 3.039 0 40 DGAB C[C@H]1C[C@H](N(C)Cc2cnsn2)CCN1Cc1ccccc1 585090672 NKAGPKKBVMPWLN-WMLDXEAASA-N 316.474 3.023 0 40 DGAB C[C@@H](O)CCCCCC(=O)N1CCO[C@@](C)(c2ccccc2)C1 585132003 MOSLGMABLZKHEK-VQIMIIECSA-N 319.445 3.092 0 40 DGAB COC(=O)c1ccccc1NC(=S)N(C)c1ccccc1 134301 FFJJIKXMWUUSSJ-UHFFFAOYSA-N 300.383 3.306 0 40 DGAB Cc1nc(N2C[C@H](C)O[C@@H](C)C2)c2c3c(sc2n1)CCC3 126653 DNWBNBXHRMJPTB-UWVGGRQHSA-N 303.431 3.102 0 40 DGAB C[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(F)cc1 23893051 MKNMSIYLKKLWSU-LURJTMIESA-N 306.288 3.003 0 40 DGAB CCOC(=O)c1sc(N)c(C(=O)OCC)c1-c1ccccc1 6844209 RHULHXVBOMUTGZ-UHFFFAOYSA-N 319.382 3.351 0 40 DGAB CCOc1cccc(CNCCOC)c1OCc1ccccc1 7539495 ICCMEZXDZVDMDZ-UHFFFAOYSA-N 315.413 3.400 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)Nc2cncc(C)c2)cc1 97038325 UREWSIVQUPZAOU-ZDUSSCGKSA-N 319.430 3.325 0 40 DGAB O=C(Cc1cn2ccccc2n1)Nc1ccc(OC(F)F)cc1 24843290 TYDGLJNCMGBDCC-UHFFFAOYSA-N 317.295 3.117 0 40 DGAB COc1ccc(-c2noc(COc3cccc(C=O)c3)n2)cc1 8006829 ZOAJYMQYJJNMMG-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2C[C@@H]2C[C@H]3CC[C@H]2C3)c(=O)[nH]1 106648480 HTYVEOATOASBDX-VGWMRTNUSA-N 314.429 3.114 0 40 DGAB COc1ncccc1CNC(=O)Nc1cccc(Cl)c1F 43450164 FKBZKLHZVABJDM-UHFFFAOYSA-N 309.728 3.204 0 40 DGAB O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)c1ccsc1 57064195 ZVTQUKGFXAZXSS-GFCCVEGCSA-N 304.390 3.144 0 40 DGAB Cc1ccccc1N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 9698709 ZMUYTMNDRRUCKD-RDJZCZTQSA-N 322.408 3.225 0 40 DGAB COc1ccc(NC(=O)C(=O)Nc2ccc(C)cc2)cc1Cl 9991910 FIEOLSXOIOVCPQ-UHFFFAOYSA-N 318.760 3.234 0 40 DGAB CC(C)OC(=O)c1ccccc1CS(=O)(=O)c1ccccc1 108908076 ROMCYIJJZHUSIY-UHFFFAOYSA-N 318.394 3.226 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)c(OC)c1 59267352 WQPJUJFVRLWFGW-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB COc1ccc2cc(CN(C)c3nccc(OC)n3)ccc2c1 12798962 RYRRTPQEUGXIBO-UHFFFAOYSA-N 309.369 3.283 0 40 DGAB CCN(c1ccc(C(=O)N(C)Cc2cc(C)on2)cc1)C(C)C 58342384 RPSLVLSFBHRBGH-UHFFFAOYSA-N 315.417 3.490 0 40 DGAB CCCN(CCC(=O)Nc1cc(OC)cc(OC)c1)CC1CC1 2307927 LKCKBYJFXFKLGE-UHFFFAOYSA-N 320.433 3.154 0 40 DGAB C[C@H](Sc1nnc(N)s1)C(=O)C12CC3CC(CC(C3)C1)C2 11479851 YVVVVAWWICFHNH-ITOAGHBLSA-N 323.487 3.386 0 40 DGAB O=S(=O)(N[C@H]1CCSc2ccc(F)cc21)c1ccccc1 12846378 VZVKQTKLGLMFBS-AWEZNQCLSA-N 323.414 3.341 0 40 DGAB Cc1ccc([C@@H]2C=C(C(=O)O)Nc3nc4ccccc4n32)cc1 102243765 YHGUDIDDJITDIT-INIZCTEOSA-N 305.337 3.328 0 40 DGAB CCN(C(=O)c1ccncc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 60127899 KOEHSYLEWCJSAR-QFBILLFUSA-N 323.440 3.379 0 40 DGAB Cc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(O)c1 29656177 WTKSXMXAYMNQHL-UHFFFAOYSA-N 306.365 3.380 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)C3(c4ccccc4)CCC3)cc12 24033091 VOHLGAXPCHTTPG-UHFFFAOYSA-N 320.396 3.337 0 40 DGAB CCOc1cc(NC(=O)N[C@@H]2CCO[C@H](C3CC3)C2)ccc1C 97142461 HYPZPAZLNYKXLY-WBVHZDCISA-N 318.417 3.473 0 40 DGAB Cc1ccc(C)c(NC(=O)c2nnn(-c3ccccc3)c2C)c1 2715805 CTMDVMFGACNNMV-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1nc(S[C@@H](C)c2cccc(F)c2)sc1CC(N)=O 48705819 FKKSTEZBWBSUNX-VIFPVBQESA-N 310.419 3.472 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1cccc(OC(F)F)c1 13023134 FEWIVYRNZBYROV-UHFFFAOYSA-N 310.325 3.486 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)NCCC2=CCCCC2)s1 5054189 XSEZDWXOECRSDN-JTQLQIEISA-N 311.476 3.334 0 40 DGAB Cc1oc(CSc2nnc(C3CC3)n2C2CC2)cc1C(=O)O 14086801 LZOWOOZCVROIBG-UHFFFAOYSA-N 319.386 3.382 0 40 DGAB CC(C)[C@H]1CCC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)O)C1 4654792 CZCVBLROPSHDRZ-YESZJQIVSA-N 317.429 3.261 0 40 DGAB in-vitro CCOc1ccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)cc1 6601114 NVFWBJMTBNBOPR-AWEZNQCLSA-N 324.380 3.077 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H]2Oc3ccccc3O[C@H]2C)c1 9457669 SPOSRXKOQMQOBV-SJCJKPOMSA-N 311.337 3.056 0 40 DGAB CC1CCN(C(=O)C2CCN(C[C@@H]3CC=CCC3)CC2)CC1 5614463 CKLPCDAYEILYRE-QGZVFWFLSA-N 304.478 3.313 0 40 DGAB C[C@H](CNC(=O)c1cc2ccccc2cc1O)CN1CCCC1 84638469 SWTNKYBQJJQVNW-CQSZACIVSA-N 312.413 3.007 0 40 DGAB Cc1ccc(NC(=O)c2ccc(Br)o2)c(C(=O)O)c1 4826792 TVXRXYVFOWRZNN-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB CC(=O)c1ccc(OC[C@H](O)CNCCC2=CCCCC2)cc1 6905882 KVSQRSLXIRPNBT-GOSISDBHSA-N 317.429 3.109 0 40 DGAB Cc1ccc(-n2c(=S)sc3c(=O)[nH]c(=S)[nH]c32)cc1 67172738 KBLWWOZPKLXEDC-UHFFFAOYSA-N 307.425 3.476 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1ccccc1F 7421659 AHBVFUKBYXWYLO-CYBMUJFWSA-N 316.376 3.293 0 40 DGAB CN1CCC[C@H](CSc2nnc(NCc3ccco3)s2)C1 71804182 NKIGGWINBOXSCZ-NSHDSACASA-N 324.475 3.177 0 40 DGAB C[C@H](Sc1ncnc2scc(-c3ccccc3)c12)C(N)=O 7736357 CJRSPFCWAJYYSY-VIFPVBQESA-N 315.423 3.324 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc3c2O[C@H](C)C(=O)N3)c2ccccc21 71847347 MRGDOAJIFOKPQB-VXGBXAGGSA-N 322.364 3.170 0 40 DGAB Cc1ccc(C)c(-n2cnnc2SCC(=O)c2ccc[nH]2)c1 16927933 IRJCLDDODWSQKN-UHFFFAOYSA-N 312.398 3.187 0 40 DGAB CCc1noc([C@H](C)N2CCC(OCc3ccccc3)CC2)n1 69493671 AHTVGAWQIYLBDE-AWEZNQCLSA-N 315.417 3.374 0 40 DGAB Cc1ccccc1[C@H]1CCN(C(=O)c2cnc3onc(C)c3c2)C1 69485399 VPUMZXIDROAZFA-AWEZNQCLSA-N 321.380 3.469 0 40 DGAB c1cc2c(cc1-c1csc(N3CCSCC3)n1)COC2 69445118 QWSWPPVVRJSGRW-UHFFFAOYSA-N 304.440 3.394 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)c1 69489761 WYIYFXMUDKEFKS-GDBMZVCRSA-N 315.417 3.369 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69535557 DHLWACPMRGSXDX-HZPDHXFCSA-N 321.428 3.388 0 40 DGAB CC(C)(C)n1ccc(NC(=O)C[C@H]2OCCc3ccccc32)n1 95397485 IXLDFABLIUEGMA-OAHLLOKOSA-N 313.401 3.281 0 40 DGAB CN(C)C1CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1 82348931 VVVKQCAYEUGATD-UHFFFAOYSA-N 322.452 3.371 0 40 DGAB O[C@@H]1Cc2ccccc2[C@H]1NCc1cnc(C2CCC2)s1 95415556 WIBXKNPTIGWJMP-HZPDHXFCSA-N 300.427 3.159 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)O)s2)s1 95424364 JXQJYEKCZKCSHV-QMMMGPOBSA-N 324.427 3.353 0 40 DGAB C[C@@H]1CCCC[C@@H]1N(C)C(=O)CCc1ccccc1C(=O)O 95991809 IGVAKTSETRULGA-CJNGLKHVSA-N 303.402 3.355 0 40 DGAB CCOCc1ccc(NC(=O)N(C)[C@@H]2CCN(C)C[C@@H]2C)cc1 89988658 UPIYNTCYTPKEOL-WMLDXEAASA-N 319.449 3.027 0 40 DGAB COC(=O)c1ccc(OCCn2cnc(C)c2C)c(Cl)c1 75741827 OSAKDWKGPRCAAK-UHFFFAOYSA-N 308.765 3.019 0 40 DGAB Cc1cccc(C)c1NC(=O)c1nn(C)c(C)c1Br 28222601 ZNPQHSOGTRSHAZ-UHFFFAOYSA-N 322.206 3.360 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)CCCOc1ccc(F)cc1 211078036 QCHSLUBLYDOGRH-LVZFUZTISA-N 316.376 3.436 0 40 DGAB COc1ccccc1CCC(=O)Nc1nnc(C(C)(C)C)s1 36367252 BLFAWLIYWWUPKN-UHFFFAOYSA-N 319.430 3.416 0 40 DGAB CC(C)CNc1ccc(C(=O)O)cc1I 39951770 VDDCDXUREXLOQF-UHFFFAOYSA-N 319.142 3.057 0 40 DGAB CC(C)C[C@@H](C)OC(=O)C1CCN(C(=O)c2ccoc2)CC1 78442409 BHBKCANGTDOXCQ-CYBMUJFWSA-N 307.390 3.110 0 40 DGAB CC[C@H](C)c1ccc([C@@H](C)NC(=O)c2nc3ncccn3n2)cc1 36611692 WAHTVDRTUWBVOR-QWHCGFSZSA-N 323.400 3.129 0 40 DGAB c1ccc([C@H](Cn2cncn2)Nc2nc3ccccc3o2)cc1 78334172 QGKMUDVKLGBBRD-HNNXBMFYSA-N 305.341 3.273 0 40 DGAB CCOc1ccc(-c2nc(C)cc(SCC(=O)O)n2)cc1 49468897 CUSTVQJTJBRORW-UHFFFAOYSA-N 304.371 3.027 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccccc3)=NO2)C1 222278506 UPVSBELNSKKWIP-HBUWYVDXSA-N 300.402 3.074 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CC 225252547 QMMUXXMYDSEJFY-OAHLLOKOSA-N 324.852 3.383 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)Nc1nnc(SC)s1 223741103 HRCHVKUDAYWSQV-VIFPVBQESA-N 323.443 3.228 0 40 DGAB CCOC(C)(C)C(=O)Nc1ccc(OCCOC)c(Cl)c1 225648864 IRXUFKUHUWHCDN-UHFFFAOYSA-N 315.797 3.119 0 40 DGAB CS[C@H](C)C(=O)Nc1ccc(C)c(C(=O)N(C)C(C)C)c1 193394223 JECLLLOTKLKALH-GFCCVEGCSA-N 308.447 3.165 0 40 DGAB O=C(Nc1ccc(C2CCC2)cn1)N[C@H]1CC12CCOCC2 333603631 DCHLTHRVRAMZBP-AWEZNQCLSA-N 301.390 3.040 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)c1 225321670 IXVKXGVBCOPREZ-JMSVASOKSA-N 318.442 3.257 0 40 DGAB CC(C)(C(=O)O)[C@H]1CCCN(C(=O)CCc2cccc(F)c2)C1 195552115 PJERWQZEPDGDBF-AWEZNQCLSA-N 321.392 3.108 0 40 DGAB COc1ccnc(CN[C@@H](C)c2ccccc2-n2cccn2)c1 97371966 XBYYHIWVDNBOBW-AWEZNQCLSA-N 308.385 3.127 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@@H](C)[C@H](N)c1ccccc1 96467563 ZESFKNFDMVYKPB-BBRMVZONSA-N 302.443 3.351 0 40 DGAB C[C@@H](Sc1nc2ncccn2n1)c1ncc(C(C)(C)C)o1 96447682 QYLPIEDVKXDNQR-SECBINFHSA-N 303.391 3.263 0 40 DGAB O=C(CCOc1ccccc1)NC1(c2nccs2)CCCC1 96407333 PVPBHGOXJMGMKQ-UHFFFAOYSA-N 316.426 3.498 0 40 DGAB Cc1nc(O)c2c(n1)CN(c1cc(C(C)C)nc(C(C)C)n1)C2 585132687 MILDDZUJAQNTCZ-UHFFFAOYSA-N 313.405 3.048 0 40 DGAB CCOC1(c2nc([C@]34OCCC[C@H]3C4(F)F)no2)CCCC1 585120372 KAZRRTNKRVKBRN-QMTHXVAHSA-N 314.332 3.146 0 40 DGAB CC(C)[C@@H](SCc1ccccc1)C(=O)Nc1ccc[n+]([O-])c1 585127749 IHRBKSOVVKAJLX-MRXNPFEDSA-N 316.426 3.217 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2ccc3[nH]ccc3c2)n1 257261114 LFTJZSRNJRCANO-QGZVFWFLSA-N 307.401 3.337 0 40 DGAB O=C(Cc1ccsc1)N1CCC[C@H](Cc2cccnc2)C1 257339880 ZDOGVXXEBNLGBQ-OAHLLOKOSA-N 300.427 3.167 0 40 DGAB C[C@](O)(CCc1ccccc1)CNC(=O)CSC1CCCC1 96025810 VAEUSWVLMMTTRQ-SFHVURJKSA-N 321.486 3.162 0 40 DGAB O=C(NCc1cccc(Oc2ccccn2)c1)c1ccccn1 96104532 VLNWXPRXQWUFBX-UHFFFAOYSA-N 305.337 3.199 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCC(Nc2cccnc2)CC1 68338693 BEQGDBOXCJYYBM-CMDGGOBGSA-N 307.397 3.198 0 40 DGAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)OCC(F)(F)F)c1 68585018 HCNQIHYTGJUEDN-UHFFFAOYSA-N 324.686 3.153 0 40 DGAB in-vitro CCC[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 50735740 GUGYQPHEFOSCSE-OCCSQVGLSA-N 322.474 3.214 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)COc2cc(C)cc(C)c2)C1 78934140 AQVXEUVEFHTRBE-GOEBONIOSA-N 307.459 3.425 0 40 DGAB CC(C)N(C(=O)[C@@H](C)Sc1ccc(Cl)nn1)C(C)C 73930852 SLSOBAMNSWWSIO-SNVBAGLBSA-N 301.843 3.256 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)nc1 580962276 COVVTXSCJBCWNS-ZDUSSCGKSA-N 317.316 3.144 0 40 DGAB CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CNCC1CCCCC1 5000539 XTULGTCCHMSQNX-JTDSTZFVSA-N 306.494 3.487 0 40 DGAB O=C(CCc1nc2ccccc2s1)N=c1[nH]c2ccccc2[nH]1 12538965 DYHOJKWUYUTQOQ-UHFFFAOYSA-N 322.393 3.166 0 40 DGAB CCOc1ccc2nc(NCCNC(=O)C(C)C)c(C)cc2c1 19519955 NVSSWJXYQKJTMY-UHFFFAOYSA-N 315.417 3.126 0 40 DGAB Cc1cccc(COc2ccc(C(=O)O)nc2Br)c1 19872947 TTWAGSZQFRSXRK-UHFFFAOYSA-N 322.158 3.430 0 40 DGAB Cc1ccc([C@@H]2CCCCN2Cc2nc(C(=O)O)co2)cc1 563278635 YEDYFVGFTDIETB-HNNXBMFYSA-N 300.358 3.408 0 40 DGAB Cc1ccc(NC(=O)c2ccc3nc(C4CC4)cn3n2)cc1C 1888906706 VYLIKKZIURVAAD-UHFFFAOYSA-N 306.369 3.476 0 40 DGAB Cc1ccc(NC(=O)c2nn(C)cc2Br)cc1C 362314 YGSBQXZITVRPJV-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(F)c(Cl)c1 3517255 LHAYIOAJQNUYRB-UHFFFAOYSA-N 320.707 3.026 0 40 DGAB COc1ccc(OC)c(C(=O)OCc2ccccc2)c1OC 205923046 WKTUEASUPBAIPX-UHFFFAOYSA-N 302.326 3.069 0 40 DGAB biogenic,in-vitro COC(=O)c1occc1CN1CCCc2cc(F)cc(F)c21 40086193 JSOKYLLCJGDAFA-UHFFFAOYSA-N 307.296 3.297 0 40 DGAB C[C@@H](NC(=O)CN(C)C1CC1)c1ccc(Cl)cc1Cl 31655311 YRBQRLCYCRURBP-SECBINFHSA-N 301.217 3.265 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)COC(=O)c2cccs2)C1 102165702 QDUQCACVOIORLQ-YVEFUNNKSA-N 321.442 3.332 0 40 DGAB CCOc1cc(-n2ncc(C(C)=O)c2C)nc(-c2ccccc2)n1 385423 BMDLOGZRSMWPST-UHFFFAOYSA-N 322.368 3.239 0 40 DGAB Cc1ccc(C(=O)NCCCc2ccc(N(C)C)cc2)s1 32818568 CZDWXPZAFDRXDK-UHFFFAOYSA-N 302.443 3.485 0 40 DGAB COc1ccc(-c2cc(O)n3c(n2)nc2ccccc23)cc1OC 102718773 QYWKJBGQWLSMHH-UHFFFAOYSA-N 321.336 3.272 0 40 DGAB C[C@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nncs1 33244699 HEPAHGNPXKAKOT-LURJTMIESA-N 318.185 3.251 0 40 DGAB CC[C@H](OC(=O)c1ccc2nncn2c1)c1cccc(OC)c1 78869697 RCNLSDPQSWYVAR-HNNXBMFYSA-N 311.341 3.046 0 40 DGAB CCN(CC)CCCC(=O)Nc1cc(OC)cc2cccnc12 1600066 QNTNGBBRNOHQLJ-UHFFFAOYSA-N 315.417 3.304 0 40 DGAB CCc1ccc(C(=O)N[C@@H](C)c2nnc3n2CCCCC3)s1 42496921 RNTVLARGVAVSST-NSHDSACASA-N 318.446 3.119 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1C 4173604 UGHVKKXOWDLSOH-CMZRPVNOSA-N 315.413 3.228 0 40 DGAB C[C@@H](SCc1ccc(CS[C@H](C)C(=O)O)cc1)C(=O)O 6183443 UUMQQJSRFZVGKG-NXEZZACHSA-N 314.428 3.099 0 40 DGAB C[C@@H](OC(=O)/C=C/c1cccs1)C(=O)N[C@H]1CCCC[C@H]1C 7553222 XFAYCURSJBVIJG-YJQVIICOSA-N 321.442 3.388 0 40 DGAB Cc1cc(C)cc(C(=O)c2ccccc2CN2CCOCC2)c1 43211459 QMAIRIKWZUVFHI-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB O=C(C1CCC1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106580869 SZCARAWXDWVJCR-RBUKOAKNSA-N 312.457 3.442 0 40 DGAB O=C(CCc1ccsc1)Nc1ccccc1N1CCOCC1 12543829 IVCMGPBFKRZIAI-UHFFFAOYSA-N 316.426 3.156 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)c(Cl)c1 9142004 HYXCLFSJJBEEIP-UHFFFAOYSA-N 301.733 3.070 0 40 DGAB Cc1occc1-c1nnc(-c2ccc(CN3CCCC3=O)cc2)o1 48264270 JVFWAQUHQSTSEK-UHFFFAOYSA-N 323.352 3.427 0 40 DGAB O=C(CCC1CCCC1)Nc1ccccc1C(=O)NC1CC1 12758637 LWHSUSIUGBERNZ-UHFFFAOYSA-N 300.402 3.488 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)CCCNC(=O)C(C)(C)C 58406363 HNOXLLLWDYVZKZ-CQSZACIVSA-N 304.434 3.149 0 40 DGAB CCOc1ccc(C(=O)Nc2c(C)nn(C)c2C)cc1OCC 27927176 IISGOZBYWGORIB-UHFFFAOYSA-N 317.389 3.087 0 40 DGAB CCc1ccc(C(=O)COC(=O)c2ccc(Cl)nc2)cc1 3342083 NVOUZASBPMDBMR-UHFFFAOYSA-N 303.745 3.337 0 40 DGAB C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N(C)Cc1ccco1 11230749 XFNYHWUTRUNIAG-NSHDSACASA-N 324.327 3.340 0 40 DGAB O=C(O)c1ccc(Cn2cc(Cl)c(C(F)(F)F)n2)cc1 2537845 NBNKTCZKXRYYLX-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB Cc1ccc(S(=O)(=O)NCC2(c3ccccc3)CC2)c(C)c1 11901504 JPISMKTZSGEFSL-UHFFFAOYSA-N 315.438 3.314 0 40 DGAB O=C(COC(=O)c1cccc(Cl)c1)NC1CCCCCC1 2657527 ZUORORGNQFTDQQ-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)c2cc3ccccc3o2)C1 46959558 AGEGWXXFAIZFOW-AWEZNQCLSA-N 300.402 3.285 0 40 DGAB O=C(Nc1ccc(-n2cncn2)c(C(F)(F)F)c1)c1ccco1 71186127 BDISARKDRYGEPM-UHFFFAOYSA-N 322.246 3.131 0 40 DGAB Cc1cccc(C(=O)NCC(=O)Nc2cccc(Cl)c2C)c1 9094814 HSTIFOMGLYBETD-UHFFFAOYSA-N 316.788 3.325 0 40 DGAB Cc1ccccc1NC(=O)c1ccc2c(c1)NC(=O)[C@@H]1CCCN21 9157322 XJPGLYSXQUXSHB-KRWDZBQOSA-N 321.380 3.168 0 40 DGAB Cc1onc(-c2ccccc2)c1C(=O)NCCCOC(C)C 4384606 XCLWJMJYDFTEFK-UHFFFAOYSA-N 302.374 3.195 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCNCc1c[nH]nc1-c1cccnc1 65458819 IEULIWPVPQGWJI-YOEHRIQHSA-N 314.433 3.157 0 40 DGAB CC(=O)Oc1ccccc1/C=C/c1nc2ccccc2c(=O)[nH]1 4426876 LJZKBSPEMLUGJR-ZHACJKMWSA-N 306.321 3.019 0 40 DGAB O=C(O)c1cccc(Nc2c(C(=O)O)cnc3ccccc23)c1 5510863 HSJBMEIQOSSCCA-UHFFFAOYSA-N 308.293 3.375 0 40 DGAB COc1cc(OC)c(C(=O)N[C@H](C)c2cccs2)cc1OC 14602927 RWCPVCFGNOQNRN-SNVBAGLBSA-N 321.398 3.265 0 40 DGAB CCc1nccn1S(=O)(=O)c1ccc(Cl)c(C)c1Cl 5646204 OBOUNELNCHHNSG-UHFFFAOYSA-N 319.213 3.298 0 40 DGAB COc1cccc(C2=NN(C(N)=S)[C@@H](c3ccccc3)C2)c1 19797223 WJWPQQNXZWMWBO-MRXNPFEDSA-N 311.410 3.090 0 40 DGAB CCOc1ccccc1/C=C/C(=O)Nc1nnc(CC)s1 7347866 QAMPHEUGUTUYHX-MDZDMXLPSA-N 303.387 3.151 0 40 DGAB Cc1ccsc1/C=C/C(=O)Nc1cccc(S(C)(=O)=O)c1 7944786 RDYVAAIBTHLWKI-VOTSOKGWSA-N 321.423 3.112 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 8014597 QIXMENKRRJUNOQ-UTSBKAFOSA-N 322.364 3.366 0 40 DGAB CO[C@@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 91788895 RXPNGSIWWWWNLX-TVQRCGJNSA-N 301.308 3.308 0 40 DGAB CCOc1ccccc1OCCCC(=O)Nc1ccncc1 17584838 HDAXPYNMQBQEKP-UHFFFAOYSA-N 300.358 3.278 0 40 DGAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)[C@@H]1CCc2ccccc21 69874846 INNXRNPVCBSIAT-QILLFSRXSA-N 317.429 3.107 0 40 DGAB O=C([C@H]1C[C@H]1c1ccco1)N1CCC(Oc2ccccc2)CC1 71835047 XBXCUSULIAMEEO-SJORKVTESA-N 311.381 3.453 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)c1 8816058 OTQLBFIGSRPOTK-HNNXBMFYSA-N 314.429 3.423 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H](c2ccccc2)O1 71827222 NPKMQCSRAQIFTI-WBMJQRKESA-N 318.804 3.281 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)[C@H](O)c1ccccc1Cl 95979259 HNYOWRCHUWZGLL-MRXNPFEDSA-N 314.772 3.171 0 40 DGAB C[C@H](NC(=O)N1CCC[C@@H](CO)C1)c1csc2ccccc12 72268292 BSIYONKBSOOKPE-QWHCGFSZSA-N 318.442 3.376 0 40 DGAB Cc1nc(C(=O)N(C)C[C@H]2CCCCO2)c(-c2ccccc2)o1 97115470 PXZATCZMPFRPDW-OAHLLOKOSA-N 314.385 3.291 0 40 DGAB CCCCc1nnc(SCC(=O)NC2CCCCC2)n1CC 408561032 VUKDDIASLPYYDQ-UHFFFAOYSA-N 324.494 3.182 0 40 DGAB CCc1cccnc1NCc1cc(OC)c(OC)c(OC)c1 95973199 KLTPLBONIBPHQC-UHFFFAOYSA-N 302.374 3.282 0 40 DGAB CCOC(=O)c1nn(C)c2nc(C(F)F)cc(C(F)F)c12 72336343 JYBJDQQTPPLIMH-UHFFFAOYSA-N 305.231 3.020 0 40 DGAB CC(C)(NCc1ccncc1Cl)c1ccc2c(c1)OCO2 84370367 SWXKXDLWJYBZAH-UHFFFAOYSA-N 304.777 3.489 0 40 DGAB Cc1cccc(OCCNC(=O)[C@H](C)Oc2ccc(F)cc2)c1 23733496 HAQSNAIWOQPMRC-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB COc1cccc(OCCNC(=O)Cc2cccc(Cl)c2)c1 67801668 ZEILHENAYWPHIG-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB COc1ccc(OC)c(COC(=O)[C@@H]2C[C@H]2c2ccco2)c1 121335712 XERCYRSFPWZXGB-ZIAGYGMSSA-N 302.326 3.144 0 40 DGAB O=C(O)c1[nH]nc(-c2ccc(Cl)cc2)c1Br 38478109 NCKRBKPCSIBNOK-UHFFFAOYSA-N 301.527 3.191 0 40 DGAB Cc1cnc(OC2CCN(C/C=C/c3ccccc3)CC2)nc1 653803064 FYDITADZYVITMK-VMPITWQZSA-N 309.413 3.342 0 40 DGAB O=C(O)c1nsc2c1N=C(O)C[C@H]2c1ccc(F)c(F)c1 66091369 JQVMSLKAANKAEC-LURJTMIESA-N 310.281 3.243 0 40 DGAB O=C(c1ccc(Cl)s1)N1CCC2(CC1)OCCS2 70637232 AFEOZIMQMVFISN-UHFFFAOYSA-N 303.836 3.097 0 40 DGAB Cc1ccc(OCC(=O)NCCSCc2ccco2)cc1C 31252508 ZHPLQKDITMLZIV-UHFFFAOYSA-N 319.426 3.325 0 40 DGAB CCCCOc1ccc(C(=O)NCc2noc(CCC)n2)cc1 33666532 INEPGJIHRYXEHC-UHFFFAOYSA-N 317.389 3.131 0 40 DGAB Cc1ccccc1CNC(=O)c1ccc(Cn2ccnc2C)cc1 38848742 RTTTYSJZAFXRFB-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB O=C(c1cscn1)N1CC[C@@H](Cc2cccc3cccnc23)C1 72368661 FHJHZWFMQUFHSK-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB CCc1nc(CC(=O)Nc2cc(C)c(C(=O)OC)s2)cs1 78048542 JXWYCYVPAPTSGY-UHFFFAOYSA-N 324.427 3.043 0 40 DGAB CC(C)Cc1cccc([C@H](C)C(=O)N2Cc3cncnc3C2)c1 571536524 KUQSBNBHYVZMNL-AWEZNQCLSA-N 309.413 3.321 0 40 DGAB COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)c1cccnc1 225431541 ZYROCOASVPSLIN-OAHLLOKOSA-N 312.369 3.122 0 40 DGAB CCCCNC(=O)[C@@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152676 BFCJQOWOOWBEND-GFCCVEGCSA-N 321.808 3.209 0 40 DGAB Cc1ccccc1CS(=O)(=O)NCCSC1CCCC1 225021128 KMGDNBWNYSAVGM-UHFFFAOYSA-N 313.488 3.090 0 40 DGAB O=C(NC[C@H]1CC[C@@H](O)C1)Nc1cc(-c2ccco2)ccc1F 195578952 YKPWLYURLQNWNR-WCQYABFASA-N 318.348 3.368 0 40 DGAB CCc1cnc(CNc2cc(C(=O)OC)ccc2OC(C)C)o1 95414858 AVTMJURXAJWBKE-UHFFFAOYSA-N 318.373 3.423 0 40 DGAB c1csc(CN2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@@H]32)c1 96055344 WMPMQDGVPGSFNJ-BHYGNILZSA-N 302.443 3.229 0 40 DGAB Cn1cc(C[C@H]2CCN(C(=O)c3sccc3C3CC3)C2)cn1 96445092 AMBYPZDWVXEKNJ-GFCCVEGCSA-N 315.442 3.064 0 40 DGAB C[C@@H](Sc1ncc2ccccn12)c1nc2ccccc2c(=O)[nH]1 26407349 OXDCJAKNMDLUFY-LLVKDONJSA-N 322.393 3.424 0 40 DGAB Cc1nc([C@@H]2COCCN2C(=O)CC2=CCCCC2)cs1 96220125 AIRUBGOAFVXBPD-HNNXBMFYSA-N 306.431 3.242 0 40 DGAB CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccoc1)CC2 96061326 XOCHWHAGVJHKSK-SFHVURJKSA-N 324.424 3.260 0 40 DGAB Cc1cnc(C2(C)CCN(C(=O)c3ccncc3)CC2)s1 257199925 ABHFHXOTTWAIOP-UHFFFAOYSA-N 301.415 3.040 0 40 DGAB O=C(Cc1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1cnccn1 257327177 XAHOELJPZNHGPS-LJQANCHMSA-N 321.424 3.262 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@@H](c4cnccn4)C3)cc2c1 257298837 RNLPCNDVNGMJQY-CQSZACIVSA-N 322.412 3.346 0 40 DGAB O=C(c1c(F)cccc1Cl)N1CCC[C@@H](n2ccnc2)C1 69917611 ZRSUZXJNZFAWKW-LLVKDONJSA-N 307.756 3.153 0 40 DGAB CCNC(=O)[C@@]1(Cc2ccc(-c3cccc(C)c3)cc2)CCCN1 953018376 URCGIMGOEIXHBT-NRFANRHFSA-N 322.452 3.463 0 40 DGAB COc1ccccc1-c1nc(C(=O)Nc2ccccn2)cs1 58791022 SAGUSWPKHGSXAG-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CN(Cc1ccccn1)Cc1cc2c(cc1OC(F)F)OCO2 76040193 WKKMWAGLDLWUTQ-UHFFFAOYSA-N 322.311 3.044 0 40 DGAB C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)Cc1cccs1 60354589 BENDWXOZYNFYRG-ZDUSSCGKSA-N 302.443 3.104 0 40 DGAB CCCCN(CC)C(=O)Nc1cccc(C(=O)NCCC)c1 40527127 OGGMFKAWALRGIM-UHFFFAOYSA-N 305.422 3.480 0 40 DGAB O=C(c1ccc(Cl)s1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 825566738 WSSJLAUFYZVJHX-UWVGGRQHSA-N 322.821 3.001 0 40 DGAB Cc1ncsc1CN1CC[C@H](O)[C@H](Cc2ccc(F)cc2)C1 1615191491 NKRBSGWWJTUSGT-ZBFHGGJFSA-N 320.433 3.016 0 40 DGAB O=C(COc1ccc(C(=O)O)cc1Cl)Nc1ccc(F)cc1 13084863 PBBXSMLUVNVYJK-UHFFFAOYSA-N 323.707 3.195 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)Cn1cnc2ccccc21 5198904 ABBXHLPFJKYEPP-OAHLLOKOSA-N 307.397 3.174 0 40 DGAB CCOc1ccc(C(=O)CCC(=O)Nc2cc(C)ccn2)cc1 24752269 DQRTTZIARQZBMQ-UHFFFAOYSA-N 312.369 3.390 0 40 DGAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1cncc(F)c1 1565523570 SUGAIJFAZZRWCO-HNNXBMFYSA-N 320.389 3.180 0 40 DGAB COC(=O)c1ccc(N2C(=O)CS[C@@H]2c2ccccc2)cc1 179870 KQZJJSNIZPPMRQ-MRXNPFEDSA-N 313.378 3.252 0 40 DGAB O=c1c2oc3ccccc3c2[nH]c(=S)n1Cc1cccnc1 4370970 XZIXKGFKSOOKAQ-UHFFFAOYSA-N 309.350 3.249 0 40 DGAB COc1cccc(C(=O)NCCc2ccc(N3CCCC3)cc2)c1 16847223 NMTQEGRZYDVIQY-UHFFFAOYSA-N 324.424 3.268 0 40 DGAB Nc1nc(SCc2ccccc2F)n(-c2ccccc2)n1 96191773 DLWOYWVLZRUPME-UHFFFAOYSA-N 300.362 3.281 0 40 DGAB Cc1nc2nc(-c3ccc(Br)cc3)cn2nc1C 87459 HANDQDBADDBKLH-UHFFFAOYSA-N 303.163 3.171 0 40 DGAB CCONC(=O)c1ccc(-c2nnc(-c3cccc(C)c3)o2)cc1 30891656 MKXFYHHIVGIOAK-UHFFFAOYSA-N 323.352 3.393 0 40 DGAB CCOC(=O)[C@H](C)Oc1cc2oc(=O)cc(CC)c2cc1Cl 253065 CUCGRXMACBDDMW-VIFPVBQESA-N 324.760 3.339 0 40 DGAB COc1cc(NC(=O)OCC(F)(F)F)c(OC)cc1Cl 32628732 JNJFWFQEDVLYGV-UHFFFAOYSA-N 313.659 3.468 0 40 DGAB in-vitro CCc1cc(C(=O)O[C@H](C(N)=O)c2ccccc2)sc1C 21299375 SXNPQHPWZKOFDD-AWEZNQCLSA-N 303.383 3.002 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)O[C@H]1C[C@H](C)OC1=O 32741797 ORFFXFJBPIBEAX-CBAPKCEASA-N 323.395 3.041 0 40 DGAB Cc1cccc(-c2nc(CSc3nnc4ccccn34)no2)c1 32913781 ULLMJILYUUZESK-UHFFFAOYSA-N 323.381 3.380 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCN[C@H]3c1ccccc1OC 526535 UWXBXUJBRJFVHL-SFHVURJKSA-N 308.381 3.420 0 40 DGAB biogenic O=C(CCOc1ccccc1)NCCc1c[nH]c2ccccc12 2664389 GJPHEUXRRPDEEO-UHFFFAOYSA-N 308.381 3.296 0 40 DGAB CCOC(=O)[C@@H]1[C@H]2c3ccccc3-c3ccccc3[C@@H]2C[C@H]1O 3954329 XBBKGMWUFSFRON-RDGPPVDQSA-N 308.377 3.478 0 40 DGAB in-vitro O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cccs1 4348357 NSQNWIXPNARLGN-UHFFFAOYSA-N 304.352 3.339 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)cc1 4806030 LGASZJKOZYSBIL-JKIFEVAISA-N 317.429 3.347 0 40 DGAB Cc1c(OC(=O)c2ccc(N)cc2)c(O)c2ccccc2c1O 5419379 YLMPBJUYFTWHKJ-UHFFFAOYSA-N 309.321 3.361 0 40 DGAB investigational Cc1cc(NCCCN(C)C)n2ncc(-c3ccccc3)c2n1 5556685 HUEKFCSBHFGZDL-UHFFFAOYSA-N 309.417 3.068 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCN(c2ccccc2O)CC1 5694646 RIUMMLZSNYKXEF-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB C[C@@H](Cc1ccccc1)[n+]1cc(NC(=O)Nc2ccccc2)on1 5735333 OWFUPROYPKGHMH-AWEZNQCLSA-O 323.376 3.410 0 40 DGAB in-vitro CC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)c2ccccc2)c1C 6933254 KWXIAFAEEOJGLD-CYBMUJFWSA-N 313.353 3.262 0 40 DGAB Cc1ccc(C(=O)CSc2nnc(NC3CC3)s2)s1 7413803 RIWAKEUBUFGUPQ-UHFFFAOYSA-N 311.457 3.457 0 40 DGAB COc1ccc(CCC(=O)NCc2ccccc2C)cc1OC 7976219 OLKSZKRPMZQUDG-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CCc1nnc(NC(=O)c2ccccc2Br)s1 9013292 GLBCNYGYYNVTAO-UHFFFAOYSA-N 312.192 3.115 0 40 DGAB O=C(Nc1ccccc1Br)[C@@H]1Cc2ccccc2O1 9155810 KHKXXYHTINTNSM-AWEZNQCLSA-N 318.170 3.391 0 40 DGAB CCOCCCNc1nc(-c2ccc3[nH]c(=O)oc3c2)cs1 9254215 NTSRRVDIHDBIAR-UHFFFAOYSA-N 319.386 3.083 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)N2CC[C@H]3CCCC[C@H]3C2)n1 9495378 MPEHTEQIPNQMMH-OLZOCXBDSA-N 322.478 3.059 0 40 DGAB COC(=O)[C@@H](Sc1nnc(NC(C)C)s1)c1ccccc1 9578064 DNSGQPYSJGKAQY-NSHDSACASA-N 323.443 3.365 0 40 DGAB Cc1cc(NC(=O)CN(C)Cc2ccc(C(C)C)cc2)no1 9950801 QELAFSAZOPDUSS-UHFFFAOYSA-N 301.390 3.177 0 40 DGAB CSc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 12039088 XJWOUSFSYAXLLB-UHFFFAOYSA-N 320.439 3.229 0 40 DGAB COc1ccccc1C[C@H](C)NC(=O)c1csc(C(C)=O)c1 12197001 MFRDEPOGCTXQQP-NSHDSACASA-N 317.410 3.320 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1cccnc1N1CCCC1 12622449 GMNMMHRZUJRPSH-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)Nc1cc(F)cc(F)c1 12819526 HGUNMWVHBPWVID-UHFFFAOYSA-N 319.307 3.307 0 40 DGAB CONC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12880412 URTOAUONSLZIHS-UHFFFAOYSA-N 317.732 3.077 0 40 DGAB CCNC(=O)CSc1nc(-c2ccco2)nc2ccccc12 12902854 JEMUYFREHHZRHH-UHFFFAOYSA-N 313.382 3.118 0 40 DGAB COc1ccc(NC(=O)NCCCOCc2ccco2)cc1 12912621 WENXWSYZNSKGQX-UHFFFAOYSA-N 304.346 3.017 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2ccc3c(c2)CCCC3)cc1 12975671 BEMUXGNGTVNLIH-UHFFFAOYSA-N 323.392 3.282 0 40 DGAB Cc1ccc(NCc2cc3cc4c(cc3[nH]c2=O)OCO4)cc1 13561346 ZIHLLCJAQCUGPC-UHFFFAOYSA-N 308.337 3.177 0 40 DGAB C[C@@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)C[C@@H](C)O1 14235613 GWPMMNBUUSRRTC-HUUCEWRRSA-N 323.392 3.167 0 40 DGAB CN(C)c1cccc(C(=O)Nc2ccc3c(c2)OCCCO3)c1 14386316 MMFBFFKUWBDREO-UHFFFAOYSA-N 312.369 3.166 0 40 DGAB CSc1cccc(NC(=O)CCNC(=O)c2ccccc2)c1 14428156 DLRPWDWBSLMDQS-UHFFFAOYSA-N 314.410 3.167 0 40 DGAB C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)/C=C/c1ccccc1 15671178 PMCZQOFYTOBCHT-GCZGRYASSA-N 306.365 3.464 0 40 DGAB CN(C)C(=O)c1ccc(NC(=S)Nc2ccc(F)cc2)cc1 16384877 KMFVCKZTDCIOGU-UHFFFAOYSA-N 317.389 3.336 0 40 DGAB CCOc1ccccc1Nc1nnc(Cc2ccccc2)c(O)n1 16777340 FXKGWAPWPXSFEL-UHFFFAOYSA-N 322.368 3.310 0 40 DGAB O=c1nc(NC2CCCCC2)[nH]nc1Cc1ccc(Cl)cc1 17112413 ZRRFHZKOPPUJOR-UHFFFAOYSA-N 318.808 3.154 0 40 DGAB O=C(NCc1cc(-c2ccc(F)cc2F)on1)C1CCCC1 17149747 WOLWXNAXUBEJPV-UHFFFAOYSA-N 306.312 3.426 0 40 DGAB CCCC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19501682 NFKQSANNJGNMJN-JFIYKMOQSA-N 304.409 3.014 0 40 DGAB COc1cc(Cl)cc(CN2C[C@@H]3CCCN3C[C@@H]2C)c1OC 19575724 SXWZNVJUBWKOFT-WFASDCNBSA-N 324.852 3.026 0 40 DGAB CCc1nnc(NC(=O)CCC(=O)c2ccc(C)c(C)c2)s1 21289314 IJPZKCZBQWTNOE-UHFFFAOYSA-N 317.414 3.319 0 40 DGAB O=C(Cc1ccccc1)NCCOc1cccc(C(F)(F)F)c1 23142525 AGTMJNQJWWWIHY-UHFFFAOYSA-N 323.314 3.443 0 40 DGAB CCC(CC)[C@@H](CNC(=O)Nc1cccc(OC)c1)N(C)C 24989514 PDEBIGFUFLOQDU-MRXNPFEDSA-N 307.438 3.183 0 40 DGAB Cc1cn2c(CC(=O)Nc3cc(F)ccc3C)csc2n1 25050495 MYZDZNPUAPTYHX-UHFFFAOYSA-N 303.362 3.333 0 40 DGAB O=C(Nc1ccccc1F)N1CCO[C@@H](c2ccccc2)C1 25533567 KXEVZYYYOZYSNX-MRXNPFEDSA-N 300.333 3.431 0 40 DGAB CCN1CCC[C@@H](OC(=O)c2ccc(Br)cc2)C1 32962581 REHKIFLZEBUJET-CYBMUJFWSA-N 312.207 3.090 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3C)C2)c1 39918125 HVXJYWQUDREWGR-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB O=C(NCCCOc1ccccc1F)NCCc1ccccc1 40071212 DHUMMQVWYVISHT-UHFFFAOYSA-N 316.376 3.137 0 40 DGAB CC(C)c1csc(CNC(=O)c2ccc(N(C)C)cc2)n1 41567808 BAALANDHVQJMEZ-UHFFFAOYSA-N 303.431 3.263 0 40 DGAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1cccs1 42706791 WYRFLZBXNHRFSX-UHFFFAOYSA-N 313.382 3.276 0 40 DGAB COc1cc(C(=O)CCCCCCC(=O)O)cc(OC)c1OC 43214193 ZJHDEKYFQGLVDJ-UHFFFAOYSA-N 324.373 3.320 0 40 DGAB O=C(C[C@@H]1C=CCC1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 44888986 ITPNSMADMGBOGX-GDBMZVCRSA-N 313.397 3.478 0 40 DGAB c1ccc2c(Cc3nnc([C@H]4CCN(CC5CC5)C4)o3)c[nH]c2c1 49169792 XGGGOTNATWKIIE-AWEZNQCLSA-N 322.412 3.341 0 40 DGAB biogenic,in-vitro Cc1ccc(C(=O)NCc2nc(-c3cccs3)no2)s1 49429936 WDSOCVDDVIDLTQ-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB O=C(c1noc2c1CCCC2)N1CCC[C@@H]1Cc1ccccc1 56328265 HSORSBATQYFZPV-OAHLLOKOSA-N 310.397 3.401 0 40 DGAB CC[C@@H](NC(=O)N[C@H]1CCCc2c1cnn2C)c1cccs1 57242386 NPLIQDUBSZNSNZ-OLZOCXBDSA-N 318.446 3.310 0 40 DGAB Cc1nc(CC(=O)N(C)Cc2c(F)cccc2Cl)cs1 57994689 VSLVPFVLDVHDGI-UHFFFAOYSA-N 312.797 3.445 0 40 DGAB Cc1ccccc1Cc1cnc(NC(=O)C2CCOCC2)s1 58356263 RGNAUBUVXFDREK-UHFFFAOYSA-N 316.426 3.407 0 40 DGAB Cc1noc(C)c1NC(=O)COc1ccccc1C(F)(F)F 63447177 HJNKGMXRPGZAFO-UHFFFAOYSA-N 314.263 3.328 0 40 DGAB COc1ccc(N(C(=O)c2ccnc(C)n2)[C@H](C)C2CC2)cc1 65529927 WJAWTLJXZFTSJM-GFCCVEGCSA-N 311.385 3.239 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)c1ccc(Cl)cc1 68727184 JWPQTUQGPAPJNT-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB COCCCSc1ccc(NC(=O)Nc2cn[nH]c2)cc1 69743181 GSRCOVPDTGDGEY-UHFFFAOYSA-N 306.391 3.182 0 40 DGAB Cc1cc(C[S@@](=O)Cc2cc(-c3ccccc3)on2)no1 71846904 LIDSPRQOGMQSQK-NRFANRHFSA-N 302.355 3.087 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71882151 FKLKEVIANWYPQV-HZPDHXFCSA-N 321.428 3.388 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN(C1CC1)[C@@H]1CCc2ccccc21 71908259 MYWHIVJBJHUFHS-QGZVFWFLSA-N 324.428 3.117 0 40 DGAB CC(C)(C)C1CCC(C(=O)N2CCC[C@H](n3cncn3)C2)CC1 72272361 LQBFYJITQPSICM-GPANFISMSA-N 318.465 3.294 0 40 DGAB CC(C)[C@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O 72273630 UTLPYOHMFNWAPG-UKRRQHHQSA-N 318.442 3.137 0 40 DGAB CCOc1cc(CNC(=O)c2ccc(F)cc2)ccc1OC 72331468 NTGMXMDCKCMFFE-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB C[C@](O)(CNC(=O)c1c(F)cccc1Cl)c1cccs1 75155864 ROGRKSQSBMAONL-AWEZNQCLSA-N 313.781 3.178 0 40 DGAB C[C@H](c1cccnc1)N1CCN(Cc2ccnc(Cl)c2)CC1 76040315 HVTGXLDGCYWHRE-CQSZACIVSA-N 316.836 3.009 0 40 DGAB c1ccc(OCCN2CCC[C@H](c3noc(C4CC4)n3)C2)cc1 76047230 NDBPLQBEXGXJCU-HNNXBMFYSA-N 313.401 3.205 0 40 DGAB CSc1ccc(NC(=O)NC2CCC(O)CC2)cc1Cl 78988713 SDOFORVFMHMFBI-UHFFFAOYSA-N 314.838 3.487 0 40 DGAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)NCc1nccs1 79043801 MHHSPQUTROPTKW-MRVPVSSYSA-N 314.769 3.019 0 40 DGAB CC(C)(C)OC(=O)NC1CCC(NC(=O)C2CCCC2)CC1 84200546 VMSVHAJBHVQJFN-UHFFFAOYSA-N 310.438 3.129 0 40 DGAB Cn1nc2c(c1NC(=O)c1cc3c(s1)CCCCC3)CCC2 84303485 PBTNTSWGXSMIKQ-UHFFFAOYSA-N 315.442 3.492 0 40 DGAB CCOc1ccc(-c2nc([C@@H]3CCCO3)n[nH]2)cc1OCC 85385184 ORCPGWPSLGSTPX-ZDUSSCGKSA-N 303.362 3.121 0 40 DGAB C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1cnn(C)c1 89262207 LYALRIHRUDZZOV-XYOKQWHBSA-N 303.793 3.135 0 40 DGAB CN(Cc1nccn1C)C(=O)c1occc1-c1ccc(F)cc1 89761422 LXQBFEJHCGSLDI-UHFFFAOYSA-N 313.332 3.091 0 40 DGAB c1cc2c(cc1[C@H]1CCCN1c1nc(C3CC3)no1)OCCO2 89800416 SVCZZHQSYCZYSO-CYBMUJFWSA-N 313.357 3.060 0 40 DGAB C[C@@H](NCCCn1cccn1)c1ccc(Br)s1 89905013 CYXKQWOIWRDECS-SNVBAGLBSA-N 314.252 3.448 0 40 DGAB CCCn1cc(N[C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)cn1 95944506 UQRNXKJBMVDHMG-KGLIPLIRSA-N 308.426 3.151 0 40 DGAB c1ccc([C@@H]2CN(c3ccc4nccnc4n3)CCS2)cc1 95973037 PJBBOGQHUHBPJF-HNNXBMFYSA-N 308.410 3.319 0 40 DGAB CCc1cccnc1NCc1ccc(OC)c(OC)c1OC 95973200 GHCGKLZIUQDPDZ-UHFFFAOYSA-N 302.374 3.282 0 40 DGAB CC[C@H](C)c1cc(C(=O)Nc2cc(C(=O)O)ccc2F)on1 95989572 ZPIGAHNYQXOFGF-QMMMGPOBSA-N 306.293 3.278 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)/C=C/c2cccs2)cc1 96103047 HJOHZKMTFOQLJF-HVHJFMEUSA-N 319.451 3.333 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1ccc(C)cc1)CC2 96106258 CYIJCWDIFMDDID-SFHVURJKSA-N 303.446 3.260 0 40 DGAB Cc1cc(NC(=O)CCn2ncc3ccc(Cl)cc32)no1 96181995 XKXOQOIADGWTJT-UHFFFAOYSA-N 304.737 3.015 0 40 DGAB CC(C)Sc1ccc(Cl)cc1NC(=O)N(C)CCO 96411846 VTDLDGYVFLCCRE-UHFFFAOYSA-N 302.827 3.297 0 40 DGAB CS[C@H](CO)[C@H](C)Nc1nc(C(F)F)nc2ccccc12 96417320 SAJPSYLGDMNXIS-GZMMTYOYSA-N 313.373 3.092 0 40 DGAB CCc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)Cc2cnn(C)c2)o1 96433296 WQMLSOIBBGTHBF-BBRMVZONSA-N 315.417 3.118 0 40 DGAB CCc1nc(C)c([C@@H](C)N(C)C(=O)N[C@@H](C)CSC)s1 96440471 GWQKTIWJSMLXDO-GXSJLCMTSA-N 315.508 3.468 0 40 DGAB CNC(=O)CC1CCN([C@H](C)CCSc2ccccc2)CC1 96482638 AKLQIZGJPNCFGF-OAHLLOKOSA-N 320.502 3.405 0 40 DGAB C[C@@H]1CC[C@H]1COc1ccc(I)cn1 96526328 GACFBUZVPLDDIU-BDAKNGLRSA-N 303.143 3.111 0 40 DGAB O=C(CCn1cccn1)N1C[C@H]2CCCC[C@]21c1ccccc1 97019263 OQDISPDOWPMBQX-MJGOQNOKSA-N 309.413 3.201 0 40 DGAB Cc1cc(C)nc(NC(=O)N2CCO[C@@H](c3ccsc3)C2)c1 97143109 ZTSYWOPWMNUOAC-CQSZACIVSA-N 317.414 3.365 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 97234567 WIPXQFQNCJAVMV-IAGOWNOFSA-N 310.401 3.334 0 40 DGAB Cc1ccc([C@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 101026388 LPYFSVYQLVDJQS-MRXNPFEDSA-N 307.332 3.177 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 104820965 NWEXDOSJXROGCP-JHMUCCBASA-N 314.429 3.128 0 40 DGAB Cc1cccc(CNC(=O)c2ccn(-c3ccccc3F)n2)c1 106132059 XXMRFVQVILFPPN-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB C[C@H](c1ccsc1)N1CCN(C(=O)c2cccs2)CC1 128583362 NFGQSMLVWZURQY-GFCCVEGCSA-N 306.456 3.329 0 40 DGAB CCc1nnc(S/C(=C\c2c[nH]c3ccccc23)C(=O)O)o1 213416452 IBMPZWAZIUNUKT-GHXNOFRVSA-N 315.354 3.331 0 40 DGAB CCOc1cc(CO)ccc1OC(=O)c1cccc(Cl)c1 216781820 OUWSYNKPRMUVLR-UHFFFAOYSA-N 306.745 3.450 0 40 DGAB CCO[C@]1(C(F)(F)F)Oc2ccc(C)cc2C=C1C(=O)O 217810791 NRSPRAPGORUNMB-ZDUSSCGKSA-N 302.248 3.151 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCC 223091729 GGJQYCZJOSZMEF-INIZCTEOSA-N 318.461 3.429 0 40 DGAB CCOC(=O)c1cccc(NC(=S)NCc2ccco2)c1C 225317827 ILUJHXCBAHZYCH-UHFFFAOYSA-N 318.398 3.251 0 40 DGAB O=C(c1cc2ccccc2o1)N1[C@H]2CC[C@H]1c1cncnc1C2 225670031 GGAVGIUXUJGERJ-WFASDCNBSA-N 305.337 3.125 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3ccc(F)cc3)=NO2)C1 226749261 ZFDJCLMJJJVDBJ-FHSNZYRGSA-N 318.392 3.213 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251216284 LKLAZQTUPPBQSF-CLROSIBMSA-N 303.402 3.157 0 40 DGAB Cc1nn(C)c2nc([C@@]3(C)CCCN(c4ccccn4)C3)ccc12 257258557 KUOIIZVWKWYSMA-IBGZPJMESA-N 321.428 3.230 0 40 DGAB CC(=O)N1CCC2(CC1)CO[C@H](Cc1ccc(Cl)cc1)C2 257291081 QFNWCAXXHNKYRX-MRXNPFEDSA-N 307.821 3.300 0 40 DGAB CC(C)CN1CCO[C@H](c2ncc(Cc3ccc(F)cc3)o2)C1 257295333 QXXNLNRGYINZNJ-KRWDZBQOSA-N 318.392 3.434 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)n1 257301154 RXFCDVLHLKORJM-LBPRGKRZSA-N 323.318 3.367 0 40 DGAB Fc1ccccc1-c1cncc([C@@H]2CN(CC3CC3)CCO2)n1 257313840 UUHNYZUFVIKXTG-SFHVURJKSA-N 313.376 3.066 0 40 DGAB c1csc(-c2cnc3n2CCN(Cc2nccs2)C3)c1 306123246 AIIQSGCJVBJCRK-UHFFFAOYSA-N 302.428 3.084 0 40 DGAB Cc1ncoc1C(=O)N[C@]1(C(F)(F)F)CCc2ccccc21 359140695 GHLSORNUWPPRRU-CQSZACIVSA-N 310.275 3.117 0 40 DGAB O=C(c1cnc2ccccn12)N1CC[C@@H](Cc2ccccc2)C1 535739500 RQCLCJBCURMIFQ-INIZCTEOSA-N 305.381 3.039 0 40 DGAB CC[C@@H](C(=O)NCCn1cc(-c2ccoc2)cn1)c1ccccc1 575615052 MBLZQVYWSKWIMW-GOSISDBHSA-N 323.396 3.453 0 40 DGAB CCc1cc(N2CCC[C@@H]2c2nc(C(=O)O)cs2)ccn1 582549233 QPMIKEFAVCSFDR-CYBMUJFWSA-N 303.387 3.140 0 40 DGAB Cc1ccc(S[C@H](C(=O)N2CCCC[C@@H]2C)C(C)C)nn1 585118570 UMZLCLUWFPDEDG-ZFWWWQNUSA-N 307.463 3.303 0 40 DGAB CCc1ccc(S(=O)(=O)N2CCC3(CC2)CC3(F)F)s1 651858822 DEXRGWMZQPVJPP-UHFFFAOYSA-N 321.414 3.120 0 40 DGAB O=C(c1ccccc1Cl)N1CCCC[C@H]1CCn1ccnn1 1520808467 SOUFKXNEGDZRSH-ZDUSSCGKSA-N 318.808 3.017 0 40 DGAB CC1=NC[C@@H](C)NC(C)(C)CC(C)=N[C@H](C)CNC(C)(C)C1 1547138100 VPWMRWNDCNUCTC-HZPDHXFCSA-N 308.514 3.215 0 40 DGAB biogenic Cc1ccc(NC(=O)c2cc(C3CCOCC3)ncn2)c(C)c1 1888850372 WPCYSMYJRZFBIS-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB Cc1cc(=O)oc2cc(OCC(=O)Oc3ccccc3)ccc12 62209 ZIXGSGVSFUYVQC-UHFFFAOYSA-N 310.305 3.086 0 40 DGAB C[C@@]12CC=CC[C@@H]1C(=O)N(c1ccc(Br)cc1)C2=O 376813 DZAMMUDSEINOHR-IUODEOHRSA-N 320.186 3.295 0 40 DGAB COc1cc2c(cc1OC)-c1cc(OC)c(OC)cc1CC2 382922 SCJQACPXMFUNKR-UHFFFAOYSA-N 300.354 3.487 0 40 DGAB Cc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)NC(=O)CN21 542097 KXIYVJOXUUXPPS-CSHXORCISA-N 308.381 3.225 0 40 DGAB biogenic CC(=O)Nc1ccc(-c2csc(NC(=O)[C@H]3C[C@@H]3C)n2)cc1 3336869 HAHWFNCFYDFEAM-ZANVPECISA-N 315.398 3.363 0 40 DGAB Cc1nc2ncnn2c(N2CCCCC2)c1Cc1ccccc1 4999407 GBVOJBJXLHEWPB-UHFFFAOYSA-N 307.401 3.014 0 40 DGAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC[C@H](C)C3)c2c1 5024920 WFBMUBMHEDJCGU-LBPRGKRZSA-N 300.402 3.400 0 40 DGAB CCCCCNC(=O)/C=C/c1ccc(OC)c(OC)c1OC 5978158 IEGOVBMOABQFFA-PKNBQFBNSA-N 307.390 3.032 0 40 DGAB CCN1CCc2c(sc3c2C(O)=N[C@H](c2ccc(C)o2)N3)C1 6205604 MWBHUYSLNLRFEA-AWEZNQCLSA-N 317.414 3.456 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1 6315882 LKCCDTQHPJGGIW-UHFFFAOYSA-N 317.410 3.375 0 40 DGAB Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1C 6503772 BJICGNVCCYBCAT-IBGZPJMESA-N 311.425 3.101 0 40 DGAB CNC(=O)CSc1ncc(-c2ccccc2)n1-c1ccccc1 6972779 SGCLAFMIRPYITP-UHFFFAOYSA-N 323.421 3.377 0 40 DGAB O=C(N[C@@H]1CCSc2ccccc21)c1ccc2c(c1)OCO2 7988808 QXVSWGOSJRSDKY-CYBMUJFWSA-N 313.378 3.382 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc(F)ccc2F)cc1F 8105907 CAMYKSZFSKQBIQ-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)CCc2ccccc2)c1 9154399 JNEOSQOKZURBHX-CQSZACIVSA-N 310.397 3.396 0 40 DGAB CC[C@@H](C)Cn1c(=S)[nH]c2cc(OC)c(OC)cc2c1=O 9481860 NWQQIAUMXVTPBN-SECBINFHSA-N 308.403 3.122 0 40 DGAB Cc1cc2ncn(C(=O)CCNC(=O)c3ccccc3)c2cc1C 10463353 KAVOTCNQOXTGQO-UHFFFAOYSA-N 321.380 3.113 0 40 DGAB O=C(NCCc1ccc(F)cc1)NCC1(c2ccccc2)CC1 10496453 ATECZHKLEWVAML-UHFFFAOYSA-N 312.388 3.399 0 40 DGAB CCn1c(NC(=O)c2ccc(N(C)C)cc2)nc2ccccc21 10651469 UIMBZUQGUPARQH-UHFFFAOYSA-N 308.385 3.375 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1 12860637 HYSIHJCHNYHXIR-LSDHHAIUSA-N 300.402 3.223 0 40 DGAB C[C@H](Oc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccccc1 12900849 VVQNUXQUNPPCMR-ZDUSSCGKSA-N 306.365 3.483 0 40 DGAB biogenic Cc1ccc(C(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cc1 12974191 GGWVOCXNKVLHEA-UHFFFAOYSA-N 322.408 3.161 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N2CCCCCC2)c1C 13058013 ZOPVZLGKEGPZMP-CQSZACIVSA-N 320.433 3.255 0 40 DGAB NC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2Cl)cc1 13137365 BACWYTDTXUNVRT-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)CCS2)c1ccco1 14183882 CNQASSIGWRVUPW-JTQLQIEISA-N 316.382 3.205 0 40 DGAB CCC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccco2)cc1 16601511 BHSBQVHRTSZAOH-LBPRGKRZSA-N 300.358 3.450 0 40 DGAB O=C(CCNC(=O)c1cccs1)Oc1ccc(Cl)cc1 19161710 MIXSCYSQAVEIDP-UHFFFAOYSA-N 309.774 3.127 0 40 DGAB Cc1ccc(C2(CN3CCN(Cc4ccncc4)CC3)CC2)cc1 19208424 DEHNBYQAOAZAQZ-UHFFFAOYSA-N 321.468 3.239 0 40 DGAB CC1=C(C(=O)OCC(C)C)[C@H]2C[C@@](C)(N1)Oc1ccccc12 20375170 BVVLEUXAZGKRGQ-KSSFIOAISA-N 301.386 3.345 0 40 DGAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)CCN2 20431824 ZSFNJWVIHGMCKI-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)Cc1cc(-c2ccco2)on1 23127241 DFYDIMQLXCYIHK-GFCCVEGCSA-N 308.337 3.455 0 40 DGAB C[C@@H](NC(=O)N[C@H](C)c1ccccn1)c1ccc(F)c(F)c1 26186486 YCKTUBXTIWRVDR-GHMZBOCLSA-N 305.328 3.481 0 40 DGAB CNC(=O)[C@@H](C)OC(=O)c1sccc1-c1ccc(C)cc1 26658892 JACBZTJZQITVJH-LLVKDONJSA-N 303.383 3.015 0 40 DGAB Cc1ccccc1OCn1ccc(C(=O)N2CCC(C)CC2)n1 27972264 NMNUSRXGDUTPNB-UHFFFAOYSA-N 313.401 3.100 0 40 DGAB CC(C)c1nnc(NC(=O)[C@@H](C)OCc2ccccc2)s1 30601073 RWIXANQBVYCWOR-LLVKDONJSA-N 305.403 3.205 0 40 DGAB COc1ncccc1CNC(=O)Nc1ccc(C)cc1Cl 40096876 WRRAXJBYCUCSIO-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB COc1ccc(Br)cc1CN(C)C(=O)c1ccco1 40457422 ZAFZKJCOUZHNBE-UHFFFAOYSA-N 324.174 3.323 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2cc(F)ccc2F)cc1 40525755 XRSOMVVZPCTFOA-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB S=C(NC[C@@H]1CCCO1)N1CCCCC[C@@H]1c1ccncc1 44082704 LGHYCPMRIVJWCO-JKSUJKDBSA-N 319.474 3.052 0 40 DGAB c1ccc2c(c1)CCC[C@@H]2NCc1cnc(N2CCCC2)nc1 48680984 ZDJMXCXAQOMDFI-SFHVURJKSA-N 308.429 3.244 0 40 DGAB O=C(Nc1ncn(Cc2ccccc2)n1)N1CCCCCCC1 58394320 JXLBRMFQVFZHPJ-UHFFFAOYSA-N 313.405 3.124 0 40 DGAB COC(=O)c1occc1CSc1nnc(-c2ccccc2)o1 58450593 CHHZZCKZURLBFT-UHFFFAOYSA-N 316.338 3.409 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)N(CCO)C1CC1 64563420 RXVAQDRSKGDNGQ-UHFFFAOYSA-N 300.811 3.051 0 40 DGAB O=C(NCc1ccc(F)cc1)c1nc2ccc(Cl)cn2c1F 66089175 VZQXXDSYIULGNS-UHFFFAOYSA-N 321.714 3.196 0 40 DGAB Cc1ccccc1CNC(=O)CN1CC[C@H](c2ccccc2)C1 69653480 LVGIVSZYRKOSQA-IBGZPJMESA-N 308.425 3.101 0 40 DGAB CCOc1cc(C(=O)N2CCCCCC2)nn1-c1ccccc1 72264734 GIWLMSJFGJSEQI-UHFFFAOYSA-N 313.401 3.287 0 40 DGAB COc1ccc(NC(=O)N[C@@H](CCO)c2cccs2)cc1C 72294200 QEQIEQDVWRPMHA-ZDUSSCGKSA-N 320.414 3.310 0 40 DGAB CC[C@@H]1CN(C(=O)CCn2ccnc2)CC[C@@H]1c1ccccc1 74283221 POCYRRCFZBVDHY-AEFFLSMTSA-N 311.429 3.316 0 40 DGAB C[C@H](Sc1nnc(C2CC2)s1)C(=O)N1CCCCCC1 74794940 CLJNPVDURAVQMQ-JTQLQIEISA-N 311.476 3.299 0 40 DGAB COCC(=O)Nc1ccc(Cl)cc1-c1nc(CC(C)C)no1 75108596 MRKKUYUGMUFOKR-UHFFFAOYSA-N 323.780 3.173 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc21)c1cccc2ccccc12 75155663 JGHIGVIWKFPCMA-OAQYLSRUSA-N 317.388 3.404 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2C[C@H]1C[C@@H]2NCc1ccccc1 77031816 HFIAICRLCXYAAE-JYJNAYRXSA-N 302.418 3.174 0 40 DGAB CC[C@@H]1CCC[C@H](NC(=O)N(C)Cc2nccn2C(F)F)C1 77611234 PUUCVSSTBYEZIP-NEPJUHHUSA-N 314.380 3.388 0 40 DGAB Cc1cc(NC(=O)CCOc2ccc3ccccc3c2)n(C)n1 78781244 PHNSZNZSHHVXRH-UHFFFAOYSA-N 309.369 3.289 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N1CCC[C@@H]2CCC[C@@H]21 78941690 UCRGWMAGYVGBOK-FZMZJTMJSA-N 305.447 3.495 0 40 DGAB CN1CCC(NC(=O)c2ccc(-c3ccc(F)cc3)s2)CC1 78973657 OFXPBQUDUCLHKY-UHFFFAOYSA-N 318.417 3.378 0 40 DGAB Cc1ccc(C(=O)OCc2cc3c(Cl)cccc3[nH]2)c(=O)[nH]1 79064972 WMJIKQCCSHKFAW-UHFFFAOYSA-N 316.744 3.175 0 40 DGAB COc1ccc([C@@H]2CCCN2Cc2ccc3c(c2)nnn3C)cc1 79105530 KJUFAVFZTUHBHJ-SFHVURJKSA-N 322.412 3.314 0 40 DGAB C[C@H](NC(=S)NC1CCCCC1)c1ccc2c(c1)CCO2 84651768 XUPYQBVBLWTDQV-LBPRGKRZSA-N 304.459 3.479 0 40 DGAB O=C(O)c1cc(Br)c2[nH]c(C(F)(F)F)nc2c1 85386254 OVWZULVHWHTRTQ-UHFFFAOYSA-N 309.041 3.042 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 89319426 OFFPAQDWPSWJQS-CVEARBPZSA-N 321.490 3.496 0 40 DGAB Cc1cc(CS[C@@H]2CCN(c3c(F)cccc3F)C2=O)no1 89605010 PPUVFBSAXCNUQG-CYBMUJFWSA-N 324.352 3.300 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@H]1NCc1ccc(Cl)c(F)c1 89948884 RMFOJBAZBPVBBZ-XJKSGUPXSA-N 312.816 3.216 0 40 DGAB CC(C)(C)OC(=O)NCC[C@H]1CCN(Cc2ccccc2)C1 95080827 XZRJUWDOUWQDRA-INIZCTEOSA-N 304.434 3.423 0 40 DGAB O=c1[nH]c2c(Br)cccc2cc1Br 95098174 CQJXDCXZLLOVOG-UHFFFAOYSA-N 302.953 3.053 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc(Cl)c(F)c1)[C@@H]1CCOC1 95447292 ZTZLBEPWKVSGPY-CMPLNLGQSA-N 314.788 3.046 0 40 DGAB O=C(Nc1ccc(-c2ccccn2)cn1)c1ccc2[nH]cnc2c1 95977857 OHVCBWWLAFKOSF-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CO[C@H]1CCN(C(=O)c2cc(C)ccn2)C[C@@H]1Cc1ccccc1 96111185 IQYBVFCDDCZXIV-HKUYNNGSSA-N 324.424 3.110 0 40 DGAB O=C(c1ccc(Oc2cccc(F)c2)o1)N1CCSCC1 96183964 IAUVZKHUAUCBFA-UHFFFAOYSA-N 307.346 3.400 0 40 DGAB COCC[S@](=O)Cc1cccc(NC(=O)C2(C)CCCC2)c1 96408235 YFIYSKFPFFRJFA-JOCHJYFZSA-N 323.458 3.101 0 40 DGAB CCO[C@H](C)c1nc(CSc2ncnc3nc[nH]c23)cs1 96424931 KZLHAGVDXNCSNM-MRVPVSSYSA-N 321.431 3.199 0 40 DGAB Cc1cc(C)nc(N2CCC[C@@H]2CC(=O)c2cccs2)n1 97233399 MVLZHXUFAAISPW-CYBMUJFWSA-N 301.415 3.397 0 40 DGAB CCSCc1ccnc(NC(=O)Nc2c(C)n[nH]c2C)c1 97372833 ZIKKSVZFGQRTFX-UHFFFAOYSA-N 305.407 3.319 0 40 DGAB CCCc1nc(CN2CCOC[C@@H]2c2cccn2C)cs1 97379620 LHZPJTHLMIWVBV-OAHLLOKOSA-N 305.447 3.008 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)N1CCc3ccccc3C1)CC2=O 100658648 GDTCGBFQPMGYMU-PMACEKPBSA-N 311.425 3.357 0 40 DGAB COc1ccc([C@@H](C)NCC(C)(C)C(N)=O)c2ccccc12 183642959 OEYAIPVJCRSKLV-GFCCVEGCSA-N 300.402 3.011 0 40 DGAB CC[C@@]1(C)CN(C(=O)NC[C@H](c2cccnc2)C(C)C)CCO1 188171613 OVNPOZOLIHVTLU-WMZOPIPTSA-N 319.449 3.032 0 40 DGAB CNC(=O)[C@@H]1CCCC[C@H]1N[C@@H](c1ccccc1)c1ccccn1 195553840 DXCXTBREVZEQFX-LMMKCTJWSA-N 323.440 3.065 0 40 DGAB CCOc1ccc(CNC(=S)Nc2cccc(C)n2)cc1 225432480 TXCBHQHTBHINRS-UHFFFAOYSA-N 301.415 3.275 0 40 DGAB Cc1c[nH]c([C@H]2COCCN2Cc2ccc(Cl)c(F)c2)n1 257252408 JUROHCJDSCXUEY-CQSZACIVSA-N 309.772 3.084 0 40 DGAB O=C(NCc1ccccc1F)c1ccc(-c2cncs2)nc1 257331298 XSFWBVSMBJGLLT-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB O=C(Nc1cnn(C[C@@H]2CCCCO2)c1)c1c[nH]c2ccccc12 390827377 GQYMPLNTJBDWOM-AWEZNQCLSA-N 324.384 3.186 0 40 DGAB CC(=O)OC(C)(C)C(=O)N1CCCC[C@@H](c2ccccc2)C1 390828660 SQMQJSUDPSWHMR-MRXNPFEDSA-N 303.402 3.124 0 40 DGAB COC(=O)CCCC(=O)N1CCCC[C@H]1CSC(C)(C)C 390830439 LDHHYIPYYFFDLO-ZDUSSCGKSA-N 315.479 3.243 0 40 DGAB COCCN1C(=O)S/C(=C/c2c(F)cccc2Cl)C1=O 409148625 YZCPGWYJPLVAFY-YRNVUSSQSA-N 315.753 3.162 0 40 DGAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3(CCC3)[C@@H]2c2ccncc2)[C@H]1C 529527724 QOGWAMGLYUFAGF-CTTHAOKLSA-N 314.429 3.195 0 40 DGAB O=C(N[C@H]1CC[C@@H](CO)CC1)c1ccc(SC(F)(F)F)o1 585130848 DLSAKAFDJBEJEM-DTORHVGOSA-N 323.336 3.172 0 40 DGAB CCC(CC)C(=O)N1CCC[C@H](c2cncc3cnc(C)n23)C1 585182547 LGFJCCVKCSGPIQ-HNNXBMFYSA-N 314.433 3.180 0 40 DGAB CCOC(=O)c1[nH]c2ccccc2c1CNC(=O)OC(C)(C)C 1083801411 VNPBGGGHSIBAJO-UHFFFAOYSA-N 318.373 3.369 0 40 DGAB Cc1nc(C(=O)N2c3ccccc3C[C@H]2C)cc(C(F)(F)F)n1 1888859359 UGRYRXMTOMIAMU-SECBINFHSA-N 321.302 3.395 0 40 DGAB Fc1ccc2nc(N3CCC(Oc4nccs4)CC3)oc2c1 2086866267 ZLTGRZJKUOIHDY-UHFFFAOYSA-N 319.361 3.471 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 44755 DWVZXBZZLHCNNI-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB O[C@@H](CNCc1c[nH]nc1-c1cccs1)c1ccc(F)cc1 97139681 JTXSHJXNBIAWIO-AWEZNQCLSA-N 317.389 3.101 0 40 DGAB Cc1cc(C)c2cc(CNc3ccc4c(c3)OCO4)c(=O)[nH]c2c1 412074 MQUJGGDODPWYKS-UHFFFAOYSA-N 322.364 3.486 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2ccc(C)cc2O)c(C)c1 557996 JUHRIDNUWSHTTM-UHFFFAOYSA-N 314.410 3.444 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCOCC1 23224638 GGLJXDQDSWMYGE-LJQANCHMSA-N 307.397 3.293 0 40 DGAB Cc1ccc(C(=O)OCc2nnc(-c3ccccc3)o2)s1 3526204 GEQAYYFOMPZVII-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@@H]3C[C@@H](O)[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@@]21C 4104657 HDBFDASDLMVRNX-YQUJEBIDSA-N 322.489 3.112 0 40 DGAB biogenic,in-vitro CC(C)(C)c1noc(COC(=O)Cc2c[nH]c3ccccc23)n1 23948130 VSKBZSFIWFKXFM-UHFFFAOYSA-N 313.357 3.134 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2cc(-c3ccco3)on2)cc1 54845977 XSKGMOLVNWHJJP-UHFFFAOYSA-N 312.281 3.112 0 40 DGAB CC(=O)Oc1cccc2c1CC[C@H]1C[C@@H](OC(C)=O)CC[C@H]21 4825742 SAIMRXPMKMAUGJ-KKUMJFAQSA-N 302.370 3.374 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@H]1c1cccs1 4909278 QHBUWULWJFSUTK-OAHLLOKOSA-N 313.357 3.452 0 40 DGAB Cc1ccccc1[C@H]1CC(=O)Oc2c1c(=O)[nH]c1ccccc21 4944821 IIUWKGHWSHKISY-CQSZACIVSA-N 305.333 3.278 0 40 DGAB CCCC(=O)Oc1ccc([C@@H]2NC(=O)c3ccccc3O2)cc1 4997899 HCJSLIQJRYGCCM-GOSISDBHSA-N 311.337 3.213 0 40 DGAB CC(C)(CO)NCc1ccccc1OCc1ccc(F)cc1 6883186 OIIOZMIRGDDYJY-UHFFFAOYSA-N 303.377 3.265 0 40 DGAB CCC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 25054678 DPUOAVZFRNVUNQ-OAHLLOKOSA-N 324.380 3.289 0 40 DGAB Cc1ncc(S(=O)(=O)c2ccccc2)c(-c2ccccc2)n1 1402848 MPDDDAPQTMRCCQ-UHFFFAOYSA-N 310.378 3.285 0 40 DGAB COc1ccc([C@@H]2N(c3ccccc3)C(=O)C2(F)F)cc1OC 3213649 LCELUMWCPIMRDF-HNNXBMFYSA-N 319.307 3.427 0 40 DGAB O=C(Nc1ccncc1)N1CCC(c2nc3ccccc3[nH]2)CC1 56499155 YKEBJSNWTAYRSX-UHFFFAOYSA-N 321.384 3.369 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N[C@H]2C[C@H]3CC[C@H]2O3)cc1 108105596 ZHDKJNOCEIABIG-XABYNWHXSA-N 320.458 3.479 0 40 DGAB O=C(NCc1ccco1)N1CCC(Nc2ccc(F)cc2)CC1 58162894 ANDUDGVYGAMQHB-UHFFFAOYSA-N 317.364 3.205 0 40 DGAB O=C(O)CSc1nc(Cc2ccccc2)nc2ccccc12 58133843 JZHLOJKBBXPCQQ-UHFFFAOYSA-N 310.378 3.397 0 40 DGAB O=C(O)/C=C/CC(=O)Nc1ccc(-c2cnc(C3CC3)o2)cc1 44980428 OCCPQLFLKOLWRZ-HNQUOIGGSA-N 312.325 3.188 0 40 DGAB Cc1ccc(OCC(=O)NCCOCc2ccccc2)cc1C 177051086 NPJKGMOIVPMVDM-UHFFFAOYSA-N 313.397 3.015 0 40 DGAB CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)C1CCCCC1 58392375 UJQKDRFTIQTPLG-UHFFFAOYSA-N 323.458 3.275 0 40 DGAB O=C(Nc1ccc2[nH]c(C(F)(F)F)nc2c1)c1ccccn1 36360106 BLNAZABXJLUTTM-UHFFFAOYSA-N 306.247 3.229 0 40 DGAB CCN(CC)C[C@H](C)OC(=O)c1ccccc1Br 3314834 IFQMPBHWWXUCSO-NSHDSACASA-N 314.223 3.336 0 40 DGAB O=[N+]([O-])N(Cl)C12C[C@H]3C[C@@H](CC(Br)(C3)C1)C2 100928996 AVRGXCCHOWRYSY-DKEVHCRPSA-N 309.591 3.120 0 40 DGAB CSCC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C 2541467 UVFMZIIHDVJTFO-CYBMUJFWSA-N 309.431 3.055 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)Sc2nnc3ccccn23)cc1 2645609 LXRWCWWEBXCVNG-GFCCVEGCSA-N 312.398 3.157 0 40 DGAB CCOc1ccc(C(=O)N2CCc3sccc3C2)cc1OC 12214905 BGDPGVUTASJJRH-UHFFFAOYSA-N 317.410 3.354 0 40 DGAB CCNc1nnc(SC[C@H](O)c2cc(F)ccc2F)s1 48545524 AMJUCUUUHDLHNS-JTQLQIEISA-N 317.386 3.074 0 40 DGAB Cc1cc(C)cc(NC(=O)CCNC(=O)c2cccs2)c1 12974527 AJNHJLVLMOFBEX-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CN(CCOc1cccc(Cl)c1)CC(=O)NC1CCCCC1 13003980 QXXIWTHCNLKNTH-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@H](c1ccco1)N1CCCCC1 39984935 MHIMPZZGYMWWHV-HZPDHXFCSA-N 302.418 3.279 0 40 DGAB c1ccc(CCn2cnc3c2CCN(Cc2nccs2)C3)cc1 97080433 WZOCDRPYHIDPFC-UHFFFAOYSA-N 324.453 3.141 0 40 DGAB C[C@@H]1CCCN(c2ncnc3c2cnn3-c2ccc(F)cc2)C1 4354608 GPJWZRNZSUFHOY-GFCCVEGCSA-N 311.364 3.191 0 40 DGAB COc1ccccc1NC(=O)CCn1c(C)nc2ccccc21 5210369 FBCRKOIFYAAAKI-UHFFFAOYSA-N 309.369 3.382 0 40 DGAB CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccc(F)cc2)C1=O 4477282 BPGDAMGUMKFHPX-GOSISDBHSA-N 312.344 3.183 0 40 DGAB COc1cccc(NC(=O)CSc2ncc3ccccn23)c1 14095340 PMGXODKDZGPZGZ-UHFFFAOYSA-N 313.382 3.074 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(OC)c(F)c1 14022424 BTSLGEQUHIMJJN-UHFFFAOYSA-N 317.316 3.263 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(C=O)c2ccccc21 5520941 OHTDILXTEPRBOP-HLLBOEOZSA-N 314.429 3.078 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)nc2)c(C)c1 6636417 JOAJKRGPCORILI-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB O=C(Nc1cnccc1SCCCO)c1cccc(F)c1F 72290889 SLGHJGWYSUIBAC-UHFFFAOYSA-N 324.352 3.087 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Sc2cnnc3ccccc23)no1 8329038 IIFBIDAGKBVTOC-SNVBAGLBSA-N 314.370 3.046 0 40 DGAB O=C(c1cnc[nH]1)N(CCc1ccccc1)CCc1ccccc1 69517754 OXBMGQQEGVGGGC-UHFFFAOYSA-N 319.408 3.337 0 40 DGAB O=C(C[C@H]1CCCCO1)Nc1cccc(-n2cc[nH]c2=S)c1 87066385 CGZCKQMTDWDODR-CQSZACIVSA-N 317.414 3.433 0 40 DGAB COc1ccccc1C(=O)Nc1c(C)cnn1-c1ccccc1 84265421 LJFDEBURTNBIMC-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB Cc1ccc(Oc2ccc3nnc(-c4ccccc4F)n3n2)cn1 92622958 VJIRFYRSHNKJJJ-UHFFFAOYSA-N 321.315 3.426 0 40 DGAB CC[C@@H](NC(=O)c1c[nH]nc1-c1ccccc1)c1cnn(CC)c1 95403568 XSOIKRQJYXMCSC-MRXNPFEDSA-N 323.400 3.174 0 40 DGAB Cc1cc([C@H](C)NC(=O)N[C@@H](C)C[C@H](O)c2ccco2)c(C)o1 95413425 LPZPWTBBOYLKAE-WBIUFABUSA-N 320.389 3.362 0 40 DGAB Cc1onc(-c2ccccc2Cl)c1C(=O)OCC1(C)COC1 95954938 AXYKTWLWGKVEOL-UHFFFAOYSA-N 321.760 3.497 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(C)cc1C)c1ccncc1 95961871 IBNGJUIBWVMZHC-HNNXBMFYSA-N 304.415 3.128 0 40 DGAB CCn1cc(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)cn1 74435532 OQJIKECJUKOAGG-CYBMUJFWSA-N 301.390 3.181 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)C1(c2ccccc2)CC1 75117985 NQDHMLQXUCDNMF-UHFFFAOYSA-N 322.286 3.064 0 40 DGAB CC[C@](C)(NC(=O)c1cc(C2CC2)on1)c1nc(C)cs1 75146335 CZOKVRHIMAFAHE-HNNXBMFYSA-N 305.403 3.372 0 40 DGAB Cc1cc(C)n(CCCNC(=O)c2oc3ccccc3c2C)n1 28573252 OSQHMBWIVDRWLH-UHFFFAOYSA-N 311.385 3.375 0 40 DGAB O=C(NCC(c1ccco1)c1ccco1)c1cc(C2CC2)on1 675007865 WQGSIZTWCLLBMZ-UHFFFAOYSA-N 312.325 3.300 0 40 DGAB CC(=O)N1CCC[C@H]1c1ccc(N(C)C(=O)OC(C)(C)C)nc1 72214432 WXWMNPPGWRFHDK-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(Cl)cc2)cc1C 72227868 PLHMNBYXIRIYQY-HZPDHXFCSA-N 300.789 3.372 0 40 DGAB CCOCC(=O)Nc1nc2c(C(F)(F)F)cccc2s1 75172748 NUQHXGMZECPXEB-UHFFFAOYSA-N 304.293 3.290 0 40 DGAB S=C(Nc1ncc(Cl)nc1Cl)NC1CCCCC1 224038106 GVLVIVDUSLAUPV-UHFFFAOYSA-N 305.234 3.403 0 40 DGAB COc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)cc1 225781764 POJWCHNAIBPIIT-ZDUSSCGKSA-N 316.426 3.449 0 40 DGAB Cc1ccc(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)c(Cl)c1 225003061 RYOGOAXTUGAWAZ-ZIAGYGMSSA-N 308.853 3.356 0 40 DGAB Cc1ccc(CNC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)cc1 40119883 PGFFNDMASPKTSI-IRXDYDNUSA-N 317.477 3.162 0 40 DGAB O=[S@](Cc1ccc(-n2cccn2)cc1)c1ccccc1F 195562648 BMIJIYUKOIUAKY-OAQYLSRUSA-N 300.358 3.319 0 40 DGAB COc1cccc(OCCNC(=O)/C=C/c2ccc(C)cc2)c1 223449881 XMGCIPIDEUBWKV-ZHACJKMWSA-N 311.381 3.212 0 40 DGAB CN(CCc1cccs1)C(=O)Nc1cccc2c1OCCO2 96434210 GFWMBWWJMHLEMN-UHFFFAOYSA-N 318.398 3.226 0 40 DGAB Cc1cc(S(=O)(=O)Nc2c(F)c(F)cc(F)c2F)c(C)o1 95943008 OSWYNISZHHLMKE-UHFFFAOYSA-N 323.267 3.254 0 40 DGAB Fc1ccccc1CN1CC[C@@]2(C[C@H](N3CCCC3)CCO2)C1 96206810 CYGQTVHSXNFQDC-IEBWSBKVSA-N 318.436 3.045 0 40 DGAB CC(C)(C)OC(=O)N1CCCc2ccc(C(C)(C)CO)nc21 91692664 VGCCGHDAVITPIQ-UHFFFAOYSA-N 306.406 3.039 0 40 DGAB Cc1n[nH]cc1N=c1nc(-c2cc(Cl)cc(Cl)c2)[nH]o1 579515881 LRXPQAHLLMNONN-UHFFFAOYSA-N 310.144 3.240 0 40 DGAB C[C@@H](CC(=O)c1cccc(F)c1)C(=O)N(C)Cc1ccccn1 96426251 TWVXDNFFUVNTJT-ZDUSSCGKSA-N 314.360 3.088 0 40 DGAB Cc1nnc(CSCc2ccc(OCC(F)(F)F)nc2)o1 96482619 MHVHDTUSVHBFCH-UHFFFAOYSA-N 319.308 3.148 0 40 DGAB Cc1nccc([C@@H]2C[C@@H]3CCN(Cc4ccsc4)C[C@H]3O2)n1 96046353 UFQJPTOBGCWOTG-BHYGNILZSA-N 315.442 3.199 0 40 DGAB O=C(NC1CCSCC1)N[C@@H]1C[C@H]1c1c(F)cccc1F 341973039 SRNRHTJBXMXBCS-ZWNOBZJWSA-N 312.385 3.016 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)c2cc3c(s2)CCC3)n1 257298341 RLGSCNWZIHKZSG-CYBMUJFWSA-N 315.442 3.256 0 40 DGAB CC(C)(C)c1ccc(C(=O)NCC[C@@H](O)c2ccoc2)cc1 90612894 NTRDKDGTWOGGGR-MRXNPFEDSA-N 301.386 3.431 0 40 DGAB O=C(/C=C/c1ccoc1)Nc1ccc(N2CCCCC2=O)cc1 96103527 PBQGFQLMYROZOS-RUDMXATFSA-N 310.353 3.448 0 40 DGAB COCC(=O)Nc1ccc(NC(=O)N[C@@H](C)CCC(C)C)cc1 44123959 FKAZIVGJWLICQT-ZDUSSCGKSA-N 321.421 3.218 0 40 DGAB O=C(NCC[C@H](O)c1ccco1)C1(c2cccs2)CCCC1 77111161 JMQVWCFDSRKHRZ-ZDUSSCGKSA-N 319.426 3.393 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)s1 5975349 JGOSNRLIWWEQBW-DRZSPHRISA-N 309.431 3.297 0 40 DGAB CC(C)CC(=O)N1C[C@H]2CCCN(Cc3ccccc3F)[C@H]2C1 12188217 CKFFOAOCURDLKR-AEFFLSMTSA-N 318.436 3.295 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)c(Cl)c1 13010827 YAHXTDFNALRKFM-LBPRGKRZSA-N 324.833 3.215 0 40 DGAB CN1c2ncccc2C(=O)N[C@H]1c1ccc(Cl)cc1Cl 13566713 REZFMSXTMURZKT-CYBMUJFWSA-N 308.168 3.267 0 40 DGAB in-vitro CC(=O)c1cccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)c1 17055712 TZHHQUNYLQIQEU-CYGHRXIMSA-N 321.376 3.147 0 40 DGAB O=C1N[C@@]2(CCc3ccccc31)CCN(CC1CCCCC1)C2 19375225 WJROMKHAXIPRGI-FQEVSTJZSA-N 312.457 3.387 0 40 DGAB C[C@@H]1CCc2noc([C@@H]3CCCN(C(=O)c4ccco4)C3)c2C1 19497157 HLQYTZPYJWCHLH-CHWSQXEVSA-N 314.385 3.412 0 40 DGAB CN(C)C[C@@H]1CN(Cc2ccccc2F)Cc2ccccc2O1 19582088 HCGIVETWDNALSU-QGZVFWFLSA-N 314.404 3.151 0 40 DGAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(C)cc1 4564507 ZOVKFVVVDDSYIF-PDGQHHTCSA-N 309.365 3.215 0 40 DGAB C[C@H](O)CNCc1cccc(OCc2ccc(Cl)cc2)c1 8498037 WSBRWFWCLXFYIV-ZDUSSCGKSA-N 305.805 3.389 0 40 DGAB COc1cccc(C(=O)Nc2nsc(-c3ccccc3)n2)c1 2889446 OOYQRXVIOYOGMD-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1ccc(O[C@@H](Cc2ccc(Cl)cc2)C(=O)O)cc1 13604741 RSDYZGJIEZFNJY-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COc1ccc([C@@H]2CCN(c3ncnc4cnccc34)C2)cc1 1775970937 KJKFKXQRRBTOAO-CQSZACIVSA-N 306.369 3.027 0 40 DGAB O=C(Cc1cc(-c2ccco2)on1)NCc1ccc(Cl)cc1 23127231 DGDDLXWHNPTGDG-UHFFFAOYSA-N 316.744 3.447 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 32496802 GMYUEBZYFFJSGU-MNOVXSKESA-N 323.776 3.263 0 40 DGAB Cc1noc(C)c1C(=O)OCc1cc(Cl)c2c(c1)OCCO2 32739568 VJIDGPLTLFBUOI-UHFFFAOYSA-N 323.732 3.073 0 40 DGAB CC(=O)Nc1ccc(C)c(C(O)(C(F)(F)F)C(F)(F)F)c1 48057 SBKUGFAZZKLEJF-UHFFFAOYSA-N 315.213 3.266 0 40 DGAB Cc1ccc(CNC(=O)[C@H](C)Oc2ccccc2)c(=S)[nH]1 141119 NVUFEPZCLRXDDD-LBPRGKRZSA-N 302.399 3.136 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccccc2C(=O)O)cc1 143066 GCAMMJGLUFZMCZ-UHFFFAOYSA-N 312.369 3.483 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CSC1=NCCS1 417569 HBYLAUVUPKSHNT-UHFFFAOYSA-N 316.835 3.123 0 40 DGAB O=C(c1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 1575366 YBPFUQMJALVNAF-UHFFFAOYSA-N 300.789 3.302 0 40 DGAB O=C(Cc1ccc(-n2cccc2)cc1)NCc1ccc(F)cc1 2928332 XFFDYKGWXYLMFW-UHFFFAOYSA-N 308.356 3.475 0 40 DGAB COc1cc(C(=O)Nc2ncc(C)s2)ccc1OC(F)F 3555772 BMRDOFUPDGBHES-UHFFFAOYSA-N 314.313 3.314 0 40 DGAB COc1ccc(OCc2nn3c(C(C)(C)C)nnc3s2)cc1 4487509 LQGNWYVTRQHBJU-UHFFFAOYSA-N 318.402 3.071 0 40 DGAB CC(C)(C)NC(=O)CSc1ncnc2sc3c(c12)CCC3 4538970 DGCFGBKFJQTGTP-UHFFFAOYSA-N 321.471 3.187 0 40 DGAB CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1cccs1 4550789 DLUHSJLCFZPXOP-AWEZNQCLSA-N 324.490 3.477 0 40 DGAB C[C@@H]1OP2(CN3CCCCC3)(O[C@@H]1C)O[C@H](C)[C@@H](C)O2 4785884 LZWFWEKZNLLNOD-SYQHCUMBSA-N 305.355 3.291 0 40 DGAB Cc1cc(C)c2sc(N3CCN(C(=O)C(C)C)CC3)nc2c1 5182197 LRXZFKJVNHWPJD-UHFFFAOYSA-N 317.458 3.218 0 40 DGAB C[C@@H](NC(=O)C1=COCCO1)c1ccc(Cl)c(Cl)c1 7781535 ZJLBAZSMJBOWCO-MRVPVSSYSA-N 302.157 3.059 0 40 DGAB COc1cc(OC)cc([C@H]2Nc3ccccc3C(=O)N2C2CC2)c1 7886157 DLVNRCZFPCDOQZ-SFHVURJKSA-N 324.380 3.433 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)c1ccc2c(c1)CCCC2 8061686 PLNHZKVJDKRKOQ-KRWDZBQOSA-N 323.392 3.135 0 40 DGAB CNCCCNCc1ccccc1OCc1ccc(F)cc1 8377256 XYSITXBADYQLKH-UHFFFAOYSA-N 302.393 3.104 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)c1 8882455 FFAJJEBTOYMYDX-OAHLLOKOSA-N 306.369 3.015 0 40 DGAB CC(C)C[C@@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 9364354 SZFWFAZOOZCBST-MRXNPFEDSA-N 308.385 3.475 0 40 DGAB O=C1NCCCC[C@@H]1Sc1ncc(-c2ccc(F)cc2)o1 10848863 RBWJFBHGEMRYGW-ZDUSSCGKSA-N 306.362 3.242 0 40 DGAB Cc1c(C)n(C[C@H](O)CN2CCCCC2)c2ccc(F)cc12 12421997 OQRBSWLZGASZPC-MRXNPFEDSA-N 304.409 3.244 0 40 DGAB Cc1ccc(CNC(=O)CN2CCc3sccc3[C@H]2C)cc1 12859642 NDCXJGQKQLTASU-CQSZACIVSA-N 314.454 3.292 0 40 DGAB CCc1cccc(C)c1NS(=O)(=O)c1cccc(C(=O)O)c1 13341787 NXLMUXLGMWCKKF-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB CCn1ncc2c(C(=O)N3CCCC3)cc(-c3ccccc3)nc21 14204863 AMKJZNUXJXJPAN-UHFFFAOYSA-N 320.396 3.354 0 40 DGAB CCCN1C(=O)N[C@@H](c2ccc(Cl)cc2)C(C(=O)OC)=C1C 14230939 ZFPBHJZSTGSCAQ-AWEZNQCLSA-N 322.792 3.263 0 40 DGAB Cc1csc2nc(CNc3ccccc3Cl)cc(=O)n12 15287897 APFUAKUNVQUQRB-UHFFFAOYSA-N 305.790 3.330 0 40 DGAB O=C(Nc1cccc(Cl)c1F)c1cnn(-c2ccccc2)n1 15760994 IBAZQUXPDLFTCA-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccccc2Cl)C1 16027227 UVWFLTAEYDHXOK-LBPRGKRZSA-N 314.772 3.332 0 40 DGAB COc1ccccc1CCC(=O)Nc1nnc(C(C)C)s1 16965865 XKWWTLONMOUJLD-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(F)cc1 20039224 OYHMPOODWQYXPS-QGZVFWFLSA-N 317.360 3.308 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(C(=O)O)c(Cl)c1 20143718 IQQKIXSIKALLFW-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB CCC(=O)Nc1nc(CN2CCc3ccccc3C2)cs1 21681334 GCTIQKMMYDPVDQ-UHFFFAOYSA-N 301.415 3.050 0 40 DGAB CN(CCOc1ccc(Cl)cc1)C(=O)Nc1cccnc1 24535519 CHGRLHPPWDLBRR-UHFFFAOYSA-N 305.765 3.278 0 40 DGAB O=C(Nc1cccnc1)N(Cc1cccs1)C[C@H]1CCCO1 24535777 HEUWMOUWLUEBFQ-CQSZACIVSA-N 317.414 3.356 0 40 DGAB CN1CCN(C(=O)c2ccc(F)c(F)c2)[C@H](c2ccccc2)C1 24986489 POUFCRUOHBBSLM-KRWDZBQOSA-N 316.351 3.094 0 40 DGAB Cc1cc(CN(C)C(=O)c2csc(Br)c2)no1 25138878 SEZODZIHILBRJQ-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)[C@H]1CCCO1 28786132 GXYLLZYWLDEHEJ-OAHLLOKOSA-N 305.761 3.395 0 40 DGAB CC[C@@H](Sc1nccn1C1CC1)C(=O)Nc1cc(C)on1 29075221 LAUJRBLKDKTSOJ-LLVKDONJSA-N 306.391 3.024 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCN(C)C[C@@H]2c2ccccc2)o1 30029301 UGWASGKXJVFIMA-DOJUMQAQSA-N 310.397 3.117 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)NCc1ccco1 32754446 NSNCVNZUNVEZLB-ZDUSSCGKSA-N 312.369 3.335 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N2CCC[C@@H]2c2cccs2)no1 32797233 HSAKZHBGZCDLTC-NWDGAFQWSA-N 305.403 3.209 0 40 DGAB CCCCCNC(=O)COC(=O)c1cc2c(C)cc(C)cc2[nH]1 32853989 RLZDTCJDMPTCSQ-UHFFFAOYSA-N 316.401 3.248 0 40 DGAB COC(=O)CCCCCCNC(=O)c1cc2ccccc2o1 32900476 BBHSBJQPMFFAQT-UHFFFAOYSA-N 303.358 3.286 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@H]1CC(c2ccccc2)=NO1 32912188 ONFVERFRPSGGDM-CQSZACIVSA-N 323.377 3.428 0 40 DGAB C[C@@H](OCC(F)(F)F)C(=O)Nc1ccc(N2CCCC2)cc1 32924121 ZIHGJORMHBFLQJ-LLVKDONJSA-N 316.323 3.193 0 40 DGAB CCCCOC(=O)C[C@@H](OCCCC)C(=O)OCCCC 34104273 GGAWXQQNQGESAW-CQSZACIVSA-N 302.411 3.248 0 40 DGAB CC(C)CCn1c(SCC(=O)N(C)C)nc2ccccc21 36392757 BGKVDRPUGATGPZ-UHFFFAOYSA-N 305.447 3.263 0 40 DGAB CC(C)Oc1ccc(CNC(=O)c2ccccc2C(=O)O)cc1 36559405 JAFZJNXCQURDCL-UHFFFAOYSA-N 313.353 3.102 0 40 DGAB O=C(O)Cc1csc(Cc2ccccc2Br)n1 40447939 AAITWCULMSKIBS-UHFFFAOYSA-N 312.188 3.124 0 40 DGAB NC(=O)c1cccnc1Sc1ccc(Br)cc1 40489720 LJQIJYXYBAEPJC-UHFFFAOYSA-N 309.188 3.094 0 40 DGAB COc1cccc(NC(=O)NC[C@H](O)c2cccc(Cl)c2)c1 40520736 DKUCENRIGRRRKB-HNNXBMFYSA-N 320.776 3.204 0 40 DGAB Fc1cc(Br)ccc1OCC[C@@H]1CCCNC1 42773596 HVEJOURRRNPSNX-JTQLQIEISA-N 302.187 3.357 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1)Nc1cccc2cccnc12 43529653 OVMCEVLUGSCCET-MRXNPFEDSA-N 307.353 3.090 0 40 DGAB CS(=O)(=O)c1ccccc1NC(=O)NC1CCCCCCC1 43929504 CAZXGJLGJWXTBT-UHFFFAOYSA-N 324.446 3.325 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)N[C@H](C)CCC(C)C)c1 44110516 QCMQEUUYFYTVAQ-CYBMUJFWSA-N 321.421 3.218 0 40 DGAB Cc1nnc(CN(Cc2ccccc2Br)C2CC2)o1 46782157 JFSNALKXJGJMKD-UHFFFAOYSA-N 322.206 3.305 0 40 DGAB O=C(CCc1ccccc1Br)Nc1nccs1 48180602 KNDPBFAXSVITEK-UHFFFAOYSA-N 311.204 3.477 0 40 DGAB C[C@@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@H](C)CO1 48250674 XJMWICSUMGZPBP-VXGBXAGGSA-N 311.809 3.111 0 40 DGAB CCOC(=O)c1nc(-c2ccc3c(c2)OCCCO3)cs1 48784281 CUAZNWPAPIVTGE-UHFFFAOYSA-N 305.355 3.148 0 40 DGAB CCOc1ccccc1CNC(=O)CCc1ccc(OC)cc1 53162910 DBDPHUGFQKDLSW-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB O=C(NCc1cccc(N2CCCCC2=O)c1)C1CCCC1 55662025 LGPMWGINXJYPPZ-UHFFFAOYSA-N 300.402 3.010 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55945412 RROMGLLSXIGLHD-GDBMZVCRSA-N 318.348 3.081 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)Nc1c(F)cccc1F 58160717 VVFZZIYLWWLKRS-LLVKDONJSA-N 320.339 3.263 0 40 DGAB O=C(O)C[C@@H](CNC(=O)c1ccccc1)c1ccc(Cl)cc1 58847320 IKNISNCPHZWUNB-AWEZNQCLSA-N 317.772 3.328 0 40 DGAB CCCN(CCC)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63809279 ZKRIFVCLRHUNAG-UHFFFAOYSA-N 305.403 3.260 0 40 DGAB CCc1ccc(CNC(=O)c2cn(-c3ccc(C)cc3)nn2)cc1 67261818 WLMRXZMBQFYBRX-UHFFFAOYSA-N 320.396 3.068 0 40 DGAB CCc1nnc(SCc2ncc(-c3cccs3)o2)n1C 67429864 DUIKRLBZLPZHNE-UHFFFAOYSA-N 306.416 3.386 0 40 DGAB Cc1cccc2nc(C(=O)N3CCSc4ccccc43)cn12 68731014 UMKDMUNJKMPUBS-UHFFFAOYSA-N 309.394 3.395 0 40 DGAB Cc1cc(C(=O)NCCOc2ccccc2-c2ccccc2)[nH]n1 68907590 XEIWBVSFMSCWHJ-UHFFFAOYSA-N 321.380 3.194 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@H](O)c2sccc2C)cc1 70635884 KNWTZBAIQBCWKB-CQSZACIVSA-N 320.414 3.310 0 40 DGAB CC(C)C(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 70871879 KXUQBHGSTDZYCU-ZDUSSCGKSA-N 311.385 3.167 0 40 DGAB O=C(c1cc2c(F)cccc2[nH]1)N1CCO[C@@H]2CCCC[C@H]21 71821216 QPQDXDHOJDSODB-HZPDHXFCSA-N 302.349 3.091 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@](=O)Cc1ccc(Cl)s1 71859131 FYKQAEZLMNHALL-HOGDKLEQSA-N 319.879 3.098 0 40 DGAB O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@H]1CCCO1 71909664 FKZMZRCHSFSZFN-HUUCEWRRSA-N 301.411 3.327 0 40 DGAB Cc1cc(N(C)C)nc([C@@]2(C)CCCN2C(=O)c2ccccc2)n1 72388412 PBGPANWLGYLRIE-LJQANCHMSA-N 324.428 3.002 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)NCc2ccsc2)o1 77344785 SZLCWJQVVLDVHW-CQSZACIVSA-N 320.414 3.187 0 40 DGAB C[C@@H]1CCC[C@@H](C)C1NC(=O)c1cc2c([nH]c1=O)CCCCC2 78058434 MGKFHOGDJYQGAA-CHWSQXEVSA-N 316.445 3.198 0 40 DGAB CCc1ncc(CN(C)C(=O)c2ccc(O)c(Cl)c2)s1 78775927 XSGJAOYMHNETAU-UHFFFAOYSA-N 310.806 3.337 0 40 DGAB Cc1ccc(F)cc1C(=O)Nc1cc(C2CCOCC2)[nH]n1 81094854 XYKZVSGYAKKGLW-UHFFFAOYSA-N 303.337 3.004 0 40 DGAB Cc1cc(NC(=O)[C@H]2CCCN(C)C2)ccc1Br 82336170 ARHAVZRSFSXCLQ-NSHDSACASA-N 311.223 3.038 0 40 DGAB CCc1nnc(COc2ccccc2OCC(F)(F)F)o1 83834300 MYIUTLMVNAIXOU-UHFFFAOYSA-N 302.252 3.152 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)N1CCCSCC1 84444938 PIRNATLSNJARHJ-UHFFFAOYSA-N 323.443 3.052 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N(C)CC[C@H]1CCC[C@H](C)C1 89124966 GRPOQHVFFFHRNV-SMDDNHRTSA-N 314.451 3.128 0 40 DGAB CCc1cnc(CN(C)Cc2cnc3c(C)cccn23)s1 93807639 MPNFXGOQOVBISQ-UHFFFAOYSA-N 300.431 3.294 0 40 DGAB CCO[C@@H]1C[C@@H](NC2CCC(O)(C(F)(F)F)CC2)C12CCC2 95423222 YERGNNIBUQSHJG-DNCHLWJUSA-N 321.383 3.160 0 40 DGAB C[C@H](N[C@@H]1CCN(C(=O)C2CCCC2)C1)c1cc(F)cc(F)c1 95423908 NRKKRGGMOJABBG-YVEFUNNKSA-N 322.399 3.407 0 40 DGAB O=C(Cc1cc2c(ccc3ccccc32)o1)N[C@@H]1C=C[C@H](CO)C1 95435629 ZZZVPNSUFJAOOW-DZGCQCFKSA-N 321.376 3.182 0 40 DGAB CS[C@H]1CCC[C@H](NC2CCN(C(=O)C(C)(C)C)CC2)C1 95961916 IGAVZSWEJVOTJB-GJZGRUSLSA-N 312.523 3.287 0 40 DGAB CCO[C@@H]1C[C@H](N[C@@H](C)CC(=O)OC(C)(C)C)C12CCCC2 95988048 JBDQQZCBUQMFOD-SOUVJXGZSA-N 311.466 3.434 0 40 DGAB Cc1ccnc(NC(=O)[C@]2(C)CC(c3ccccc3F)=NO2)c1 96192482 NFYQEEGRRPCFFX-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB Cc1cc(NC(=O)NCCC2CC2)ccc1OC1CCOCC1 96435101 RXAQDMWXWGZSOO-UHFFFAOYSA-N 318.417 3.474 0 40 DGAB C[C@@H](NCc1ccnc(N2CCCCCC2)c1)C1CCOCC1 96477329 FUFDKCMXOVNZQO-MRXNPFEDSA-N 317.477 3.367 0 40 DGAB C[C@@H]1CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C[C@H](C)C1 96483747 GTSYWXVUBMCYIZ-CHWSQXEVSA-N 315.417 3.471 0 40 DGAB CC(C)[C@H](NC(=O)CCSc1ccccn1)c1ccccn1 97013778 DWNJLXGSVJKRPJ-KRWDZBQOSA-N 315.442 3.472 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N[C@@H](C)[C@H]3CCOC3)s2)o1 97081311 MOIGLTGAVQAMOI-RYUDHWBXSA-N 305.399 3.471 0 40 DGAB CC(C)N(Cc1cccnc1)C(=O)c1cc(F)c(F)c(O)c1F 97112456 OAKHIVLQGUNOIB-UHFFFAOYSA-N 324.302 3.255 0 40 DGAB CCn1cc(C2CCN(Cc3nc4ccccc4o3)CC2)cn1 97202701 AENZDMGXPBXNOG-UHFFFAOYSA-N 310.401 3.424 0 40 DGAB O=C(c1cccc(CN[C@@H]2CCCSC2)c1)N1CCCCC1 97370985 ORKHAXQVSSHNSA-QGZVFWFLSA-N 318.486 3.298 0 40 DGAB Cc1noc(-c2ccccc2)c1C(=O)OCC1CCOCC1 97377551 ZJEDEFCUAFZNSR-UHFFFAOYSA-N 301.342 3.233 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCN([C@@H]2C[C@@H]3CC[C@@H]2C3)CC1 100635982 CSQIPDRJAUDPME-CKEIUWERSA-N 318.848 3.286 0 40 DGAB CCc1ccc([C@@H]2C=C(c3ccc(F)cc3)Nc3nnnn32)cc1 100958457 PPCQXYAHWQCHMD-KRWDZBQOSA-N 321.359 3.431 0 40 DGAB CCCn1nc(C(=O)N2CCCCC[C@@H]2C(C)(C)C)ccc1=O 101142372 SBRIBWHFSIBLRP-OAHLLOKOSA-N 319.449 3.084 0 40 DGAB CC/N=c1/sc(CC(=O)O)c(-c2ccc(Cl)cc2)n1CC 105777088 ICCVWRBUULMTNY-BMRADRMJSA-N 324.833 3.438 0 40 DGAB Nc1ccc(Cl)cc1N1CCN(c2ccc(F)cc2)CC1 122518105 UQCPICDPHIYWAK-UHFFFAOYSA-N 305.784 3.388 0 40 DGAB CC(=O)N1CC[C@H](CN(C)C[C@@H](C)c2cccc(Cl)c2)C1 195573094 FOVIPNKDCMSRFL-UKRRQHHQSA-N 308.853 3.244 0 40 DGAB Cc1csc(C(=O)NCC[C@H](CCO)c2ccccc2)c1 206624626 RBFCEUPGTPPZSZ-OAHLLOKOSA-N 303.427 3.343 0 40 DGAB CCCC[C@@H](CC)CNC(=O)c1ccc(N2CCOCC2)cc1 224123415 XTHQUCZPTGLCKP-MRXNPFEDSA-N 318.461 3.469 0 40 DGAB CCCC(=O)N(Cc1ccc(F)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225244910 QZAUTVJBWVDLCU-UONOGXRCSA-N 322.424 3.258 0 40 DGAB COc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1C 225821830 QFHWQUYGWXONQL-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB Fc1ccc(CN2CC3(CO[C@H](Cc4cccnc4)C3)C2)cc1 257222116 DRZOLXXJPWGIJW-GOSISDBHSA-N 312.388 3.054 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(C)c3)C2=O)cc1 409228435 ADMKTDMCLHUOBH-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB O=S(=O)(NCCSC1CCCCC1)c1cccs1 409326878 FVDVSDNPAGTHMV-UHFFFAOYSA-N 305.490 3.092 0 40 DGAB OCC[C@@H]1CCc2ccccc2N1Cc1cnc2ccccc2n1 585094521 YFWVAHCAWMDEHO-KRWDZBQOSA-N 319.408 3.334 0 40 DGAB CC(C)CC1=NN(C(=O)c2ccccc2)[C@@](O)(C(F)(F)F)C1 356216 FAYMQIOQBIXTRB-AWEZNQCLSA-N 314.307 3.186 0 40 DGAB Cc1cccc(-c2nnc(SCc3ccccc3F)n2N)c1 532423 VZJVIKDCTILLGU-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB CC(=O)Nc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1 841137 IEFMPTCWLPFBLK-UHFFFAOYSA-N 315.398 3.027 0 40 DGAB CCc1ccccc1NC(=O)[C@@H]1CCCN(c2nccc(C)n2)C1 1358047 MBSXNOVOZXJLHZ-MRXNPFEDSA-N 324.428 3.203 0 40 DGAB O=c1nc(SCc2ccc(Cl)cc2)nc2ccccn12 1384986 LEDHZJHORGLXAX-UHFFFAOYSA-N 303.774 3.035 0 40 DGAB COC(=O)[C@H]1CN(c2ccccc2)C[C@@H]1C(=O)c1ccc(C)cc1 1398628 PAGXKYMJVPYEDR-ROUUACIJSA-N 323.392 3.103 0 40 DGAB Cc1ccc(NC(=O)CCn2c(=O)oc3ccccc32)c(C)c1 4143803 AFFHWCPKEAXMLA-UHFFFAOYSA-N 310.353 3.240 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)ccc1F 4744951 RLRNIGHOFPEVMO-BXUZGUMPSA-N 315.410 3.081 0 40 DGAB CC(C)[C@H]1CCC[C@@H](C)[C@H]1NCCOC(=O)c1ccc(N)cc1 4825140 SBOOCUVWKAXDSY-ZTFGCOKTSA-N 318.461 3.476 0 40 DGAB CCOc1ccc(NC(=O)CNc2cccc(C(C)=O)c2)cc1 4904054 HAQAOZKBJBAXSD-UHFFFAOYSA-N 312.369 3.339 0 40 DGAB c1ccc(CNc2nc3sc4c(c3c3ncnn23)CCC4)cc1 5562554 WNVDNSYFCGNMAM-UHFFFAOYSA-N 321.409 3.440 0 40 DGAB COc1ccccc1NC(=O)CN1CCc2sccc2[C@H]1C 7878384 WBKFUEHLMDPBQT-GFCCVEGCSA-N 316.426 3.315 0 40 DGAB COc1ccccc1NC(=O)CN1CCc2sccc2[C@@H]1C 7878385 WBKFUEHLMDPBQT-LBPRGKRZSA-N 316.426 3.315 0 40 DGAB C[C@H]1C[C@H](Sc2nnc(-c3cccs3)n2C2CC2)C(=O)O1 8038132 SVTGQPVPLSQMGK-KWQFWETISA-N 321.427 3.138 0 40 DGAB COc1ccccc1CNC(=O)CCC(=O)c1ccc(F)cc1 8115902 BDGUNCYNGKLVHK-UHFFFAOYSA-N 315.344 3.114 0 40 DGAB Cn1c(S[C@H](C(N)=O)c2ccc(F)cc2)nc2ccccc21 8746500 UQBQYPNCGBSSNI-AWEZNQCLSA-N 315.373 3.031 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1onc2c1CCCC2 8976571 SPTDVAKFNRCQFA-UHFFFAOYSA-N 306.749 3.224 0 40 DGAB Cc1cccc(CN2C(=O)N[C@@]3(CCCc4ccccc43)C2=O)c1 9762168 NDVJOOXMLDQPQS-HXUWFJFHSA-N 320.392 3.279 0 40 DGAB COc1ccc(CNCc2ccc(-n3ccnc3)cc2)cc1OC 12530430 RRLJXFLIFAAXAR-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB COc1ccccc1CN(C)[C@@H](C(=O)NC1CC1)c1ccccc1 12867608 UCKMQPOMFAYXBB-LJQANCHMSA-N 324.424 3.147 0 40 DGAB O=[P@@H](O)[C@H](NCc1ccccc1)c1cccc2cccnc12 13690019 ULRHYSWSXIDCCO-KRWDZBQOSA-N 312.309 3.490 0 40 DGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)C1CCCC1 14125651 ZNCDJPKIKVDUBC-UHFFFAOYSA-N 308.809 3.305 0 40 DGAB Cc1nc(-c2cccs2)c(CC(=O)NC[C@@H]2CCCO2)s1 15840060 FKZHKOVUJVLKKM-NSHDSACASA-N 322.455 3.018 0 40 DGAB O=C1CN(C(=O)c2ccccc2)c2ccc(C(F)(F)F)cc2N1 16476646 JILMYGMRCOEXLT-UHFFFAOYSA-N 320.270 3.304 0 40 DGAB CC12CN3CC(C)(CN(C1)C3c1cccc3ccccc13)C2=O 19324586 XYHWNFCGVJNQFT-UHFFFAOYSA-N 306.409 3.065 0 40 DGAB CC[C@H]1Oc2ccc(N)cc2N(Cc2ccccc2F)C1=O 19954195 VNHYIXSHEGQDOH-OAHLLOKOSA-N 300.333 3.112 0 40 DGAB Nc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Cl)cc1 20061360 PQUPSQYCUSDJGL-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB O=C(Nc1cccc(NC(=O)C2CC2)c1)NC1CCCCC1 20535567 OTZWVRDMRYCULT-UHFFFAOYSA-N 301.390 3.489 0 40 DGAB COCCCn1c(-c2ccc(F)cc2)nc2ccccc2c1=O 20799325 IOMDBUJXBCBABG-UHFFFAOYSA-N 312.344 3.239 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cn1 22412855 NEKNPBHGJVLPEI-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB COc1ccccc1NC(=O)NC[C@@H](OC)c1ccccc1 25247605 BGELEXCHTGSOEF-MRXNPFEDSA-N 300.358 3.204 0 40 DGAB CNC(=O)[C@H](C)OC(=O)c1sccc1-c1ccc(C)cc1 26658897 JACBZTJZQITVJH-NSHDSACASA-N 303.383 3.015 0 40 DGAB C[C@H]1CN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)C[C@@H](C)O1 27974700 TZNCEJBBJYGMSQ-ZNMIVQPWSA-N 313.397 3.243 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NC(=O)CCc2ccccc2)c1 31306476 KUDDLRVFKLZTPB-AWEZNQCLSA-N 310.397 3.455 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1Cl 32585560 JHYANUSWXSXBGM-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CC(C)(C)c1ccc(CN2Cc3ccccc3C[C@@H]2C(N)=O)cc1 34868054 PBWTXTCJPABMRK-LJQANCHMSA-N 322.452 3.396 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@H](C)c1ccc(C)o1)c1cccs1 40485284 FAIZHRIZVNYKGV-YPMHNXCESA-N 320.414 3.094 0 40 DGAB CC(C)N(CC(=O)Nc1ccc(F)cc1F)Cc1ccccn1 40555317 FDFGBVMATSFFES-UHFFFAOYSA-N 319.355 3.209 0 40 DGAB Cc1nnsc1C(=O)Nc1nc2cc(Cl)ccc2s1 41104985 JEQHXLHVPDHORH-UHFFFAOYSA-N 310.791 3.362 0 40 DGAB CO[C@@H]1CCCC[C@H]1OC(=O)c1oc2c(c1C)C(=O)CCC2 44734924 DPGRFGJAHOOCEV-CHWSQXEVSA-N 306.358 3.221 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2C[C@@H](C)C[C@H](C)C2)c1 44950183 OSDCUKDKSBLHKL-IRXDYDNUSA-N 316.489 3.330 0 40 DGAB COc1ccccc1CN(C)C(=O)COc1cc(C)cc(C)c1 45477543 KMUJJUJUOZYKBR-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB O=C(NCc1ccoc1)N(Cc1cccs1)C[C@@H]1CCCO1 47088098 JHRDKYVINZIGBL-AWEZNQCLSA-N 320.414 3.232 0 40 DGAB Cn1cc(NC(=O)COc2ccc(Oc3ccccc3)cc2)cn1 47529681 GQIFQFVMIFHZIN-UHFFFAOYSA-N 323.352 3.230 0 40 DGAB COCCCNC(=O)Nc1ccc(Oc2cccc(F)c2)nc1 48219233 ZVWSOWHEYVNHLS-UHFFFAOYSA-N 319.336 3.171 0 40 DGAB COc1cccc([C@H]2NC(=O)c3ccc(Cl)cc3N2)c1OC 48300656 MUWLMEDDNCCFDV-OAHLLOKOSA-N 318.760 3.211 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@@H](C)c1ccco1 48368592 BLIQQPVINOWAMW-LBPRGKRZSA-N 312.373 3.405 0 40 DGAB CC(C)(C)CCNC(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1 48702993 QESJTWCDWUQRPN-SNVBAGLBSA-N 314.838 3.447 0 40 DGAB O[C@H](Cn1nc(N2CCCC2)sc1=S)c1ccccc1 49002183 WYTHWJUFABMRPT-GFCCVEGCSA-N 307.444 3.008 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1F 55667682 LDZNYPDSIAQXTR-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB CC(C)(C)NC(=O)c1ccccc1NC(=O)/C=C/c1ccccn1 56174097 WGRHNBKMSWIELW-VAWYXSNFSA-N 323.396 3.262 0 40 DGAB CCOc1ccc(-c2nc3cc(-n4cnnc4)ccc3o2)cc1 57326784 LDJMOAKVRHVDGN-UHFFFAOYSA-N 306.325 3.474 0 40 DGAB COc1cccnc1NC(=O)c1cnc(OC(C)C)c(Cl)c1 58197751 FGILHRSARDHBEJ-UHFFFAOYSA-N 321.764 3.178 0 40 DGAB O=S(=O)(Cc1ccccc1)NCc1cccc2ccccc12 63764493 JETSMKPMQLBFMI-UHFFFAOYSA-N 311.406 3.459 0 40 DGAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CCCc2ccccc21 65711489 JPWRLFJCBWXGST-UHFFFAOYSA-N 320.348 3.228 0 40 DGAB O=C(NCCc1ccccc1Cl)c1ccc2c(c1)OCO2 67084445 GJSCRMZJMONSTF-UHFFFAOYSA-N 303.745 3.041 0 40 DGAB CCCC(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 69491840 LMAMLVXWIXVKDQ-ZDUSSCGKSA-N 317.364 3.382 0 40 DGAB CCCN1CCCC[C@H]1c1cnc(N2CCOCC2)cc1C 72219419 FPQLCYJHPRPCBE-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB CC(=O)c1cccc(OCC(=O)Nc2c(F)cc(F)cc2F)c1 72305112 JNKCNOGPQVPYQW-UHFFFAOYSA-N 323.270 3.324 0 40 DGAB COc1ccc(C(=O)C2CCN(CC(F)(F)F)CC2)cc1 74233356 LUHGOZGFUOIZAZ-UHFFFAOYSA-N 301.308 3.152 0 40 DGAB COCc1nc(C)cc(N[C@@H](C)[C@@H](O)c2ccc(Cl)cc2)n1 75055750 HQOKXIRTTHBPPW-MEDUHNTESA-N 321.808 3.119 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)c2ccc(C(N)=O)cc2)C1 75143336 CXQBDXZGJJAXMR-RHSMWYFYSA-N 322.408 3.112 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCCC[C@H]1C 75612614 LLJNGNDRNWUPTP-CQSZACIVSA-N 317.433 3.493 0 40 DGAB Cc1ccc(CN(C(=O)COc2cccnc2Cl)C2CC2)o1 77494475 KQFRTXWKTJSCGF-UHFFFAOYSA-N 320.776 3.206 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 79349495 QTRBLQAQEKATLG-KDOFPFPSSA-N 316.449 3.321 0 40 DGAB CC(C)c1cc(CNC(=O)Nc2cc(C(C)(C)C)on2)on1 79350489 KVAVRJSCIVJCQF-UHFFFAOYSA-N 306.366 3.405 0 40 DGAB Cc1cnc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)cn1 89702253 XRARDGMBKGIQJI-SJORKVTESA-N 315.417 3.246 0 40 DGAB CCN1CC[C@H]2CC[C@@H](C1)N2C/C=C/c1ccccc1OC 91892651 AZTCNWBOBKVQQX-VZUWTINFSA-N 300.446 3.267 0 40 DGAB Cc1csc(-c2cccc(NC(=O)[C@@H]3CCO[C@H]3C)c2)n1 92351370 RRLCXEBKZSXULC-SMDDNHRTSA-N 302.399 3.482 0 40 DGAB CC1(C)CCN1C(=O)NCc1ccnc(N2CCCCCC2)c1 95406311 IONGEFLOAGEGCD-UHFFFAOYSA-N 316.449 3.156 0 40 DGAB CCC(CO)(CO)NC(=O)Nc1c(C(C)C)cccc1C(C)C 95454855 ANNLWYGZPOYMKE-UHFFFAOYSA-N 322.449 3.188 0 40 DGAB COc1cc(C(=O)c2cc(C)cc(F)c2)cc(OC)c1OC 95916981 ODVGGBUEVAJXCI-UHFFFAOYSA-N 304.317 3.391 0 40 DGAB O=C(C1CCCCC1)N1CCC2(CC1)CNCc1ccccc12 96156922 MLHAWVYSIOKTFK-UHFFFAOYSA-N 312.457 3.230 0 40 DGAB FC(F)(F)c1cc(NC[C@H]2CCOC2)nc(-c2ccncc2)n1 96429237 NVHFAVZMIQMAAR-SNVBAGLBSA-N 324.306 3.006 0 40 DGAB CC[C@H]1CN(C(=O)Nc2cnn(C)c2)CC[C@@H]1c1ccccc1 96445882 UNUYULGPLPTGGL-YOEHRIQHSA-N 312.417 3.468 0 40 DGAB C[C@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1ccc[nH]1 96461094 XYVGAOSMACTSKE-JSGCOSHPSA-N 301.415 3.254 0 40 DGAB CO[C@H](C)c1nc(Cl)cc(-c2ccc3c(c2)OCCO3)n1 96529180 NYDXZPXXVCCRJM-SECBINFHSA-N 306.749 3.276 0 40 DGAB O=C(O)CCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 97018950 NPWRDINYGUJEEO-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB COc1ccccc1N1C(=O)C[C@H](c2c[nH]c3ccccc23)C1=O 100745670 QCMFDRFYNIJLML-CYBMUJFWSA-N 320.348 3.224 0 40 DGAB biogenic C[C@H](O)C[C@@H]1CCCN1C(=O)N[C@H](CC(C)(C)C)C(F)(F)F 108472024 DAKCTRQDDYAIRC-SDDRHHMPSA-N 324.387 3.298 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccccc2)c(C)c1C 117227200 JLJCMFXHHZKYMK-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCOCc2ccccc2)c1 177056233 KZLZWMQYOUNYIY-MRXNPFEDSA-N 313.397 3.095 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNC1CCN(c2ncccn2)CC1 191092264 UWGVNDOOTVHTNM-DOTOQJQBSA-N 300.450 3.027 0 40 DGAB FC(F)(F)c1ccc(SCCO[C@@H]2CCCCO2)nn1 193444861 QZLDAEWQVGSRLY-LLVKDONJSA-N 308.325 3.131 0 40 DGAB Cc1ccc(CNC(=S)Nc2ncc(Cl)nc2Cl)o1 223906295 ZTQWDAYKURNDGX-UHFFFAOYSA-N 317.201 3.171 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1cccnc1 224729368 XQQMCBXETXWINY-IBGZPJMESA-N 324.424 3.434 0 40 DGAB COc1ccccc1O[C@@H](Cc1c(C)cccc1C)C(=O)O 225031365 WPRMSEYAFIZCPG-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB COc1cccc(C(=O)NCCCc2ccc(F)cc2)c1OC 225047010 PGYHCVKRFLSOOH-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB O=C(Cc1ccc(Cl)cc1F)Nc1ccc2c(c1)OCO2 225442029 ZVPOKBQPNPBALP-UHFFFAOYSA-N 307.708 3.389 0 40 DGAB Cc1cccc(NC(=S)NCCCOC2CCCCC2)n1 225618718 YNNUPPDRATUQQX-UHFFFAOYSA-N 307.463 3.416 0 40 DGAB C[C@@H]1Cc2cccc3c(=O)c(C(=O)N(C)c4ccccc4)cn1c23 225862226 QBTIJDDIOGYNLU-CYBMUJFWSA-N 318.376 3.395 0 40 DGAB CCCCC(=O)Nc1c(Br)cc(N)cc1OC 227146246 BPITWGKQOHQHHC-UHFFFAOYSA-N 301.184 3.169 0 40 DGAB CNc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)cn2cccc12 257272154 NBGZCTGBZALGGQ-CYBMUJFWSA-N 314.433 3.128 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2ccc(Cl)cc2)OC2(CCOCC2)C1 257322906 WHYMFSMKSDZIES-HZPDHXFCSA-N 323.820 3.245 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257323267 WJKQKTRFQFOLHE-QGZVFWFLSA-N 309.413 3.113 0 40 DGAB O=C(Nc1ccc([C@@H]2CCOC2)cc1)c1cc(Cl)ccn1 359038849 MISUARMFMCNIPY-GFCCVEGCSA-N 302.761 3.491 0 40 DGAB CN(C(=O)c1c2ccccc2nn1C)C1C2CC3CC(C2)CC1C3 512756243 RCPVCVBJZVSQAS-UHFFFAOYSA-N 323.440 3.470 0 40 DGAB Cc1cccc(C)c1OC[C@@H](O)CN1CC[C@H](CC2CC2)C1 559413419 BCRYYZKVEILMGK-MSOLQXFVSA-N 303.446 3.165 0 40 DGAB CCC1(CC)CN(C(=O)C2CCN(c3ccncc3C)CC2)C1 564361390 MALPMTWMJLYAQH-UHFFFAOYSA-N 315.461 3.255 0 40 DGAB CCc1ccc([C@H](NCc2cnc(C3CC3)s2)C(=O)O)cc1 570029259 OPBJGAIDEZTXIF-HNNXBMFYSA-N 316.426 3.498 0 40 DGAB CCCN1C(=O)[C@](O)(CC(=O)c2ccc(C)cc2)c2ccccc21 89297 MUFDUDIYFCCFGJ-FQEVSTJZSA-N 323.392 3.212 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)cc1C 260525 BHCKJDARRZYXRT-MRXNPFEDSA-N 318.417 3.499 0 40 DGAB O=C(Nc1cccc(O)c1)[C@H]1CC(c2ccccc2Cl)=NO1 814982 ICQHEFSLSYZUBN-OAHLLOKOSA-N 316.744 3.177 0 40 DGAB Cc1cc(NC(=O)c2ccc(NC(=O)C(C)(C)C)cc2)no1 1010692 YQZVFHPLMFEZQW-UHFFFAOYSA-N 301.346 3.220 0 40 DGAB CC[C@@H]1C[C@H](CC(=O)N[C@@H](O)C(Cl)(Cl)Cl)C1(C)C 3102264 MSTJZJHELXZLQI-MRTMQBJTSA-N 316.656 3.254 0 40 DGAB Cc1csc(NC(=O)CSc2nc3ccccc3n2C)n1 3395055 CLWGIEJSNLMJIL-UHFFFAOYSA-N 318.427 3.069 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2)c1C 3440055 FTLXYYQOYHPTLD-OUKQBFOZSA-N 322.408 3.414 0 40 DGAB Cc1cc(C)cc(NC(=O)CSc2nnc3ccccn23)c1 3505679 VFBWQBSIVYNYPG-UHFFFAOYSA-N 312.398 3.077 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)Nc2ncc(C)s2)c1 3555839 OFIXFEJSHPUADU-QPJJXVBHSA-N 304.371 3.121 0 40 DGAB COc1ccc(CC(=O)OC[C@@H]2CCCN3CCCC[C@H]23)cc1 4027443 IKCKHIMVLASZLO-FUHWJXTLSA-N 317.429 3.045 0 40 DGAB biogenic Cc1[nH]c2ccccc2c1C(=O)C(=O)N1CCc2ccccc21 4163622 AVTSUBRDFUEBIF-UHFFFAOYSA-N 304.349 3.248 0 40 DGAB O=C(NCCc1csc(-c2cccnc2)n1)c1ccccc1 4167020 SXZDIMQCNHXDIP-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccc(F)c1)C(=O)O 4240956 ZOWFREFSRRIXOC-QGZVFWFLSA-N 323.364 3.223 0 40 DGAB COc1ccc(C(=O)Nc2cc(C)ccc2OC)c(OC)c1 4691573 RCJBOSLSBHSROV-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB CCCc1nnc(SCC(=O)Nc2ccc(Cl)cc2)o1 4943108 XNENWQXKWITJOC-UHFFFAOYSA-N 311.794 3.406 0 40 DGAB CN(C[C@H](O)COc1ccc2c(c1)CCC2)C1CCCCC1 6001490 KVAAUYXCZPVBAL-SFHVURJKSA-N 303.446 3.180 0 40 DGAB C[C@@H]1CCCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)C1 6007642 VDCAHDGCQYGKRX-DGCLKSJQSA-N 318.244 3.465 0 40 DGAB Cc1cc(C)c([C@H]2NC(N)=Nc3nc4ccccc4n32)cc1C 7127837 DMCWSKNEYBXJGT-INIZCTEOSA-N 305.385 3.058 0 40 DGAB Clc1ccc(-c2noc(CSc3ncccn3)n2)cc1 7416972 QMAJNVDRHUTVCJ-UHFFFAOYSA-N 304.762 3.472 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cccs1 7420971 GSARPXXPYGFPQI-GFCCVEGCSA-N 304.415 3.216 0 40 DGAB Cc1ccc(NC(=O)c2cccc(C[S@@](C)=O)c2)c(C)c1 8265681 LORCDKZTKIMRDS-NRFANRHFSA-N 301.411 3.434 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C 8278300 DGKYJKZUFKLCMP-GWCFXTLKSA-N 308.809 3.282 0 40 DGAB CCc1ccc(OC)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)c1 8714842 VSSYWDGSENBHFK-OCCSQVGLSA-N 311.447 3.115 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1ccc(C)c(Cl)c1)C1CCCC1 9450590 APPDUSNYGPPCQQ-HNNXBMFYSA-N 308.809 3.282 0 40 DGAB CCCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 9462159 RBNCQSMLTZOBSG-UHFFFAOYSA-N 310.353 3.174 0 40 DGAB O=C1CCc2cc(NC(=O)c3ccc(F)c(F)c3)ccc2N1 9827768 AKCNMOKGOFYPIM-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB O=S(=O)(Nc1cccc2ncccc12)c1ccc(F)cc1 13113142 BNWZJXGHBYJDCK-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB Cc1ccc2oc(C(=O)NCCc3cccs3)cc(=O)c2c1 14142297 LVTRNKLRXNHQFC-UHFFFAOYSA-N 313.378 3.135 0 40 DGAB CC(C)Cc1ccc(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14196487 BCIRWRRLDVEPNL-UHFFFAOYSA-N 323.396 3.236 0 40 DGAB NC(=O)c1ccccc1NC(=O)c1ccc(N2CCCCC2)cc1 14399406 OSXLFQJPYJQZNJ-UHFFFAOYSA-N 323.396 3.028 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1 15960304 GBFFJMUTWCGFGT-GFCCVEGCSA-N 305.324 3.091 0 40 DGAB COc1cccc(C(=O)N2CCCC[C@@H]2CCN2CCCC2)c1 21148673 WWPTUHUGUDPASE-QGZVFWFLSA-N 316.445 3.176 0 40 DGAB Fc1ccc([C@H]2C[C@H](c3cccs3)n3nnnc3N2)cc1 21653305 QALOYDAHLXYTRL-VXGBXAGGSA-N 301.350 3.020 0 40 DGAB CN1CCN(Cc2cccc(C(=O)C3CCCCC3)c2)CC1 22028105 MJGULRNOAXUNLO-UHFFFAOYSA-N 300.446 3.197 0 40 DGAB Cn1cc(C(=O)Nc2cc(F)ccc2F)c(=O)c2ccccc21 22234339 YUAMBFUTNSCVND-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB COc1ccc(OC)c([C@H](C)NC[C@@H](O)c2ccccc2)c1 26714739 BTBDSUYHJYCNJB-SUMWQHHRSA-N 301.386 3.088 0 40 DGAB Cc1nc(CCNC(=O)[C@H](C)Oc2ccccc2Cl)cs1 28293792 SWBHJQHCPATDER-JTQLQIEISA-N 324.833 3.231 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)cc2Cl)nn1C 28573678 XDDBSVHPVJLZKX-UHFFFAOYSA-N 314.172 3.053 0 40 DGAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)Cc1ccccc1 30751645 PPJTZBVZHHCQKQ-UHFFFAOYSA-N 309.818 3.302 0 40 DGAB COC(=O)c1ccc(C(=O)N2c3ccccc3C[C@@H]2C)s1 32903780 JPJHHRJYHBRUSD-JTQLQIEISA-N 301.367 3.126 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)nc1)[C@@H]1CC=CCC1 32930637 OSURHZUJQOGZST-SNVBAGLBSA-N 300.280 3.318 0 40 DGAB CCCCNC(=O)Cc1csc(COc2ccc(C)cc2)n1 33326328 AXUWVCXGPPEALL-UHFFFAOYSA-N 318.442 3.489 0 40 DGAB CCCCCc1ccc(NC(=O)CCNC(=O)OCC)cc1 36391368 QGQRMSDBASRKGD-UHFFFAOYSA-N 306.406 3.494 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)s1 39989074 NEIGJDQXGILWSY-SNVBAGLBSA-N 323.443 3.283 0 40 DGAB COCCN(Cc1ccsc1)C(=O)Cc1ccc(F)cc1 42382155 YLMWCYUSDREEIN-UHFFFAOYSA-N 307.390 3.105 0 40 DGAB COc1ncccc1CNC(=O)/C=C/c1ccccc1Cl 43738935 WJLAWTJSEHFLGP-CMDGGOBGSA-N 302.761 3.073 0 40 DGAB CC(=O)Nc1cc(C(=O)N(C)Cc2cccc(F)c2)ccc1C 46903069 LMTSIZXGPUWWKB-UHFFFAOYSA-N 314.360 3.365 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2cccc(C)c2C)C1 48235884 UHKWERTWLCQKCC-CQSZACIVSA-N 304.390 3.110 0 40 DGAB O[C@@H](Cn1nc(N2CCCC2)sc1=S)c1ccccc1 49002185 WYTHWJUFABMRPT-LBPRGKRZSA-N 307.444 3.008 0 40 DGAB O=C(C[C@H]1C=CCC1)NCC1(c2cccc(F)c2)CCOCC1 55451398 RHLPQGWVPBAIHE-HNNXBMFYSA-N 317.404 3.346 0 40 DGAB CCOC(=O)CCN(C(=O)Nc1ccccc1Cl)C1CC1 58017468 VXFVQHMIGLEGCA-UHFFFAOYSA-N 310.781 3.290 0 40 DGAB COc1ccccc1SCC(=O)N1CCc2sccc2C1 58245568 RRLJHBCULMWLAC-UHFFFAOYSA-N 319.451 3.434 0 40 DGAB CC(C)OCCC(=O)NC[C@H]1CCN(c2ccc(Cl)cc2)C1 58306826 GRMBMOXNCNWKBR-CQSZACIVSA-N 324.852 3.098 0 40 DGAB CCN(CC)Cc1ccccc1NC(=O)NCC[C@@H]1CCCO1 58393665 ZLDRTXRSZIVJPA-INIZCTEOSA-N 319.449 3.219 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCCN2CCC[C@H]2C1 58406685 FWASEOPPZRGUCV-AWEZNQCLSA-N 317.820 3.132 0 40 DGAB Cc1oc(-c2ccccc2)cc1C(=O)N[C@@H](C(=O)O)C(C)C 59434494 JWFSESCCIQSBAR-OAHLLOKOSA-N 301.342 3.094 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(F)cc1F 59773241 HMLULWXYMSLIMK-LLVKDONJSA-N 312.360 3.236 0 40 DGAB Cc1cc(CN2CCSCC2)ccc1NC(=O)c1ccoc1 60331467 QWTDTSJQCHGNHA-UHFFFAOYSA-N 316.426 3.389 0 40 DGAB CS[C@@H](C)C(=O)N(C)CCCc1cc(-c2ccccc2)no1 65553237 GMVYQKDCUNYUMJ-ZDUSSCGKSA-N 318.442 3.484 0 40 DGAB Cc1nc(-c2ccccc2)n(CC(=O)N[C@H](C)c2ccccc2)n1 65565172 UNTGZGCJEIDDIS-CQSZACIVSA-N 320.396 3.131 0 40 DGAB COc1ccc(CCN2CCc3c([nH]c4ccccc34)C2=O)cc1 68605319 UFJVOUUCSQPTNT-UHFFFAOYSA-N 320.392 3.418 0 40 DGAB O=C(Nc1ccccn1)c1ccc(CNC(=O)C2CCCC2)cc1 68722210 QNPOVZSRVKAEAV-UHFFFAOYSA-N 323.396 3.140 0 40 DGAB CCN1CCC[C@@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 69627654 BMAZRRBWTXBIHK-MSOLQXFVSA-N 300.446 3.095 0 40 DGAB CC[C@H](C)[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1 69632683 LBJOTSIMOHVTCI-IFXJQAMLSA-N 324.424 3.483 0 40 DGAB Cn1ccnc1SC[C@H](O)c1ccc(Br)cc1 69900664 HNZJVKQLEBJADI-NSHDSACASA-N 313.220 3.008 0 40 DGAB CCCCCC(=O)N[C@H](c1noc(C)n1)c1ccccc1OC 70983477 IVYWQPNCROWFAL-INIZCTEOSA-N 317.389 3.173 0 40 DGAB CC(C)c1noc(-c2ccccc2C(=O)NCC(F)(F)F)n1 71185141 CHANDQSXJLZSHO-UHFFFAOYSA-N 313.279 3.152 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2ncc(-c3ccccc3)o2)cn1 71797350 SLDPNOQNTLVDSG-MRXNPFEDSA-N 308.385 3.412 0 40 DGAB CC(C)Sc1ccc([C@H](C)NC(=O)N2CCC[C@H](O)C2)cc1 71803458 ZAXJLYLZMSAJRB-ZFWWWQNUSA-N 322.474 3.414 0 40 DGAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1C(C)C 72219645 PVLUUXAKEMHSFX-KRWDZBQOSA-N 303.450 3.162 0 40 DGAB CCOC[C@H]1CCCN(C(=O)Nc2ccc(OC)c(C)c2)C1 73184802 BHPKYWCTVINKQP-AWEZNQCLSA-N 306.406 3.284 0 40 DGAB CO[C@H]1CCCC[C@H]1OC(=O)c1coc(-c2ccccc2)n1 78076518 SHLUODCGOGBWOE-LSDHHAIUSA-N 301.342 3.456 0 40 DGAB O=C([C@@H]1CCCO1)N1CCCCC[C@@H]1C[C@@H](O)c1cccs1 79066508 GYCFFTUWMQIGQZ-KFWWJZLASA-N 323.458 3.122 0 40 DGAB C[S@](=O)c1ccc(NC(=O)Cn2ccc3ccccc32)cc1 80530015 FHVRRWONLDPWQS-JOCHJYFZSA-N 312.394 3.017 0 40 DGAB C/C=C/CCNC(=O)N(C)[C@@H](C)c1ccc([S@@](C)=O)cc1 83228582 CTFREKIFFAJWOS-HXJQMUGSSA-N 308.447 3.093 0 40 DGAB CCn1cc([C@@H]2OCC[C@H]2CNCc2ccc(C)s2)cn1 83843513 CTJVURCZVWOREV-XJKSGUPXSA-N 305.447 3.140 0 40 DGAB O=C(c1cn2cccnc2n1)N1CCC[C@@H]1CC1CCCCC1 84614936 IXTZPKTUKNAMQB-OAHLLOKOSA-N 312.417 3.304 0 40 DGAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N=c1[nH]cc[nH]1 85431278 YHZIHVBFFWVYHR-UHFFFAOYSA-N 316.364 3.092 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCCC[C@H]1c1cccn1C 89529367 YGGSYBLNNPRPCY-INIZCTEOSA-N 316.405 3.067 0 40 DGAB Cc1c(NC(=O)c2cnc(C3CC3)s2)cccc1C(=O)O 89540428 BZGOPKSIDRJULY-UHFFFAOYSA-N 302.355 3.279 0 40 DGAB CC(C)(C)c1nc(COc2cccc3c2CCC[C@H]3O)no1 89725281 AHJVHBJLWUGAAJ-CYBMUJFWSA-N 302.374 3.316 0 40 DGAB CCN(C)c1ccccc1NC(=O)N1CC[C@H](OCC(C)C)C1 89960895 CRJFAVCAXFBNPY-HNNXBMFYSA-N 319.449 3.422 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)Nc2scnc2C2CC2)c1 89962808 TYIZQIVMHPUHFG-UHFFFAOYSA-N 319.361 3.370 0 40 DGAB C[C@@H](OC(=O)c1c[nH]c(=O)c(Cl)c1)c1ccc(F)c(F)c1 95449807 OKCLDQHANGDXOH-SSDOTTSWSA-N 313.687 3.225 0 40 DGAB CC(C)CN1CCC(Nc2cccc(N3CCOCC3)c2)CC1 95990939 YHTCBRJHCWHBFO-UHFFFAOYSA-N 317.477 3.056 0 40 DGAB Cc1ccc2nc(CO[C@H]3CN(CC(C)(C)C)C[C@H]3F)[nH]c2c1 96112309 MOKQTTLBOLQSQZ-CJNGLKHVSA-N 319.424 3.456 0 40 DGAB biogenic,in-vitro CSC[C@H](NC(=O)Cc1c(C)noc1Cl)c1ccccc1 96412780 PIDFSBRJTBDQQC-ZDUSSCGKSA-N 324.833 3.399 0 40 DGAB c1ccc(NC[C@H]2CCN(c3ncnc4sccc34)C2)nc1 97200862 XHCVLBQCOOSYHN-GFCCVEGCSA-N 311.414 3.025 0 40 DGAB O=c1[nH]c2ccccc2nc1CN(Cc1ccccc1)C1CC1 97201335 WLPOQFFGEKVUMK-UHFFFAOYSA-N 305.381 3.088 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc3c(c1)OCO3)CC2=O 100892222 LSXIRUGCQWDCTN-ROUUACIJSA-N 315.369 3.139 0 40 DGAB c1csc([C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)n1 157020318 DZFBSCAOOHMWGA-AWEZNQCLSA-N 316.426 3.294 0 40 DGAB C[C@@H]1CC(NC(=O)NCc2ccc(C3CC3)cc2)C[C@@H](C)O1 189740832 AWQHWIONRRNCEX-CHWSQXEVSA-N 302.418 3.319 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)NC(C)(C)C 223447146 XIUVSCYMHNDRBS-OAHLLOKOSA-N 322.424 3.258 0 40 DGAB COc1ccc2cc(S(=O)(=O)N[C@@H](C)C(C)C)ccc2c1 225233789 MHWHWZFLWZZEHX-LBPRGKRZSA-N 307.415 3.171 0 40 DGAB COCCNC(=O)c1ccc(Nc2cc(C)cc(C)c2)c(N)c1 225419779 QCNFLTKPUCSYSP-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB CCOC1(C(=O)NCCc2nc(CC)c(C)s2)CCCC1 225453563 FDNCWJHUZFNSBR-UHFFFAOYSA-N 310.463 3.022 0 40 DGAB Cc1ccc2c(c1)N1C(=O)OC[C@@H]1CCN(C(=O)CC(C)C)C2 225489051 DUIYKWOJJNBNHF-HNNXBMFYSA-N 316.401 3.099 0 40 DGAB biogenic,in-vitro Clc1cc(I)cnc1Br 238579002 UIKXWOOGAQGQNJ-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccccc1 244998644 KNPQXIJKBPHZLB-ZDUSSCGKSA-N 315.394 3.342 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257295235 QXNSQRQKNBPYSK-AWEZNQCLSA-N 323.387 3.317 0 40 DGAB Cn1ncc(C(=O)ON=Cc2c(F)cccc2Cl)c1Cl 257354474 XYOIQVFIIOULAH-UHFFFAOYSA-N 316.119 3.057 0 40 DGAB CCCN1C(=O)S/C(=C\c2coc3ccccc3c2=O)C1=O 409381604 HRUNQNYQEAPHLU-JYRVWZFOSA-N 315.350 3.239 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCn2nc(C3CC3)cc2C1 575614717 CLGMCNGGHLWSRQ-UHFFFAOYSA-N 307.353 3.163 0 40 DGAB C[C@@H]1C[C@H](C(=O)NCc2cn(C3CCC3)nn2)CC(C)(C)C1 585130183 KCKIZDQOLLROPX-OLZOCXBDSA-N 304.438 3.082 0 40 DGAB Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCCN3)cc2)cc1 953048721 ISUTYKSHLHGUGM-HXUWFJFHSA-N 308.425 3.202 0 40 DGAB CC(C)(C)OC(=O)Nc1cc(OCc2ccccc2)cnn1 1772714766 SOJWVXDHBBTEOO-UHFFFAOYSA-N 301.346 3.403 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)NC1CCCCCC1 34272 DJNILWWJYAFHBB-CQSZACIVSA-N 310.438 3.225 0 40 DGAB C[C@@H](N[C@H](CC(=O)c1ccc(F)cc1)C(=O)O)c1ccccc1 44384 KSHWGVIVSLPHCE-MLGOLLRUSA-N 315.344 3.203 0 40 DGAB CC[C@@H]1CCCCN1C(=O)c1cc(OC)c(OC)c(OC)c1 64361 XKPSELTUECNQGI-CYBMUJFWSA-N 307.390 3.117 0 40 DGAB Clc1ccc([C@H]2C[C@H](c3cccnc3)Nc3ncnn32)cc1 221848 ZWDSITQGTDZQNH-HUUCEWRRSA-N 311.776 3.473 0 40 DGAB Brc1cccc2c3c4n(c12)C[C@@H]1CO[C@]4(CCC3)O1 2104709 ZOWFPMLIIOJIMT-RFAUZJTJSA-N 320.186 3.322 0 40 DGAB Cc1cccc(NC(=O)[C@H](C)Sc2nnc3ccccn23)c1 2627447 IETRRYODODVNKQ-LBPRGKRZSA-N 312.398 3.157 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)Sc2nnnn2-c2ccccc2)cc1 2651488 HMHITLMULLRSLD-CYBMUJFWSA-N 324.409 3.334 0 40 DGAB CC(C)(C)NC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 2780639 DXDYCOWAIQJZDF-UHFFFAOYSA-N 323.746 3.347 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)COC(=O)c1cccn1C 3295432 BIADOSOWKWNQKD-ZDUSSCGKSA-N 314.385 3.334 0 40 DGAB CCOc1ccccc1OCC(=O)Nc1ccc(OC)cc1 3458278 BMGFBUSSAOTXRL-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB CC1(C)CC(=O)c2c(n3c(c/c2=N\O)-c2ccccc2CC3)C1 4029257 UWWMGPPKCFVQMJ-XSFVSMFZSA-N 308.381 3.156 0 40 DGAB biogenic O=C(Nc1nnc(-c2ccc3c(c2)CCCC3)o1)c1ccco1 4107359 SVSTXZCRGAROJH-UHFFFAOYSA-N 309.325 3.461 0 40 DGAB S=c1[nH]nc2n(CCOc3ccccc3)c3ccccc3n12 4536696 SKEISRVOOHEBPG-UHFFFAOYSA-N 310.382 3.426 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)[C@@H]1CCCC[C@@H]1C(=O)O 4600135 JKMKFVJLYBZSHJ-IMJJTQAJSA-N 303.402 3.015 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2noc3ccc(C)cc23)c1 4667836 ICVJUHHKZWUHAU-UHFFFAOYSA-N 324.336 3.104 0 40 DGAB CC(=O)Oc1cccc2ccc(/C=C\c3ccc[n+](C)c3)nc12 4896368 XVIULEJVUAILNT-NTMALXAHSA-N 305.357 3.155 0 40 DGAB O=CNc1cc2c(cc1Br)-c1ccccc1[C@@H]2O 4913662 RNPWOLNTFGSOBZ-AWEZNQCLSA-N 304.143 3.080 0 40 DGAB CC(=O)C(CC1CCC(CC(C(C)=O)C(C)=O)CC1)C(C)=O 5012272 ZCANOQIWGILEQT-UHFFFAOYSA-N 308.418 3.161 0 40 DGAB COc1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)c(C)c1 5016709 XUXBSMIDIRIEOL-ZDUSSCGKSA-N 317.410 3.144 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)CN1CCSC1=O 5298310 DXTSBEKDYXJISN-UHFFFAOYSA-N 322.430 3.100 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(F)c(Cl)c1 6378254 ARRHFZGDBMAJFS-UHFFFAOYSA-N 321.735 3.432 0 40 DGAB Cc1[nH]c2ccc(C(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)cc2c1C 6758625 JOLPLXUKVIASOI-UHFFFAOYSA-N 320.352 3.207 0 40 DGAB O=C(Nc1ccnn1Cc1cccs1)c1ccc(F)cc1 7793723 BHFVAJAQLLWROD-UHFFFAOYSA-N 301.346 3.384 0 40 DGAB COc1ccc(-c2nnc3n2N=C2CCCC[C@@H]2S3)cc1 8342564 QIJWISTZIFBMHW-ZDUSSCGKSA-N 300.387 3.206 0 40 DGAB CNCCCNCc1ccc(-c2ccc(OC)c(Cl)c2)o1 8377136 CEKLAYLPAADGAW-UHFFFAOYSA-N 308.809 3.308 0 40 DGAB CC(C)CSc1nnc(S[C@@H]2CCCCNC2=O)s1 9756888 IXBUALRGXBLLJU-SECBINFHSA-N 317.505 3.047 0 40 DGAB C[C@H]1CCCCN1C(=O)CCn1c(=O)oc2ccc(Cl)cc21 9925736 PPDPKKKXZKQVGG-NSHDSACASA-N 322.792 3.039 0 40 DGAB COc1ccccc1OCC(=O)NCCCc1cccc(C)c1 10110615 ZTVOJVUOIAXTKV-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCn1c(C)cc(C(=O)CSc2nc(C3CC3)n[nH]2)c1C 11473751 ICFMOCHUONHFMT-UHFFFAOYSA-N 304.419 3.095 0 40 DGAB COc1cc(CC(=O)N[C@@H](C)c2nc3ccccc3[nH]2)ccc1C 12538601 PYDSMIRYOXUHKN-ZDUSSCGKSA-N 323.396 3.300 0 40 DGAB Cc1ccc(OCc2nnc(S)n2Cc2ccco2)cc1 13452356 HFDJTBJEOHNEDG-UHFFFAOYSA-N 301.371 3.096 0 40 DGAB Cc1cnc(C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)cn1 14125735 RVBFEXVYSDYKFX-UHFFFAOYSA-N 311.341 3.079 0 40 DGAB Cc1[nH]c2ccc(C(=O)Nc3ccc(C(N)=O)cc3)cc2c1C 15498064 VKCUPUZUPROZBS-UHFFFAOYSA-N 307.353 3.136 0 40 DGAB CSCC[C@H](NC(=O)[C@H]1C[C@H]1C)c1nc2ccccc2[nH]1 16645687 RRERVISQDPCGNN-SUNKGSAMSA-N 303.431 3.129 0 40 DGAB COc1ccccc1[C@@H]1NC(=O)NC2=C1CCc1ccccc12 16956708 WFRYGQKUDJVAOK-SFHVURJKSA-N 306.365 3.407 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2C(=O)NC2CC2)cc1 17366249 YUGRZPUPJMMVED-UHFFFAOYSA-N 308.381 3.068 0 40 DGAB C[C@]1(O)CC(c2ccccc2)=NN1C(=O)c1ccccc1Cl 18190409 DJYLPNZVSDMBRK-KRWDZBQOSA-N 314.772 3.299 0 40 DGAB Cc1cccc(C(=O)NCC2CCN(Cc3ccco3)CC2)c1 23128038 UBXIFWBSNVRRMR-UHFFFAOYSA-N 312.413 3.230 0 40 DGAB CC(C)c1nnc(NC(=O)C2=Cc3ccccc3OC2)s1 25324156 XOZWQLCCLBQUSN-UHFFFAOYSA-N 301.371 3.076 0 40 DGAB Cc1cc(C)n(CCC(=O)Nc2ccc(-n3ccnc3C)cc2)n1 28242711 MTTRSFMORYNMJN-UHFFFAOYSA-N 323.400 3.023 0 40 DGAB CC(C)(C)CC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1 31638192 OOINSTZSRUXRNR-UHFFFAOYSA-N 318.826 3.086 0 40 DGAB Cc1nnc(NC(=O)Cn2ccc3c(Cl)cccc32)s1 31810793 RLMYMGRRWZODQL-UHFFFAOYSA-N 306.778 3.093 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2ccccc2F)c1C 32764812 WSVFKHDWCCIXPM-UHFFFAOYSA-N 301.317 3.102 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CC(=O)O)(c2ccccc2)CC1 40435109 PHZLCYDLZUDCEK-UHFFFAOYSA-N 319.401 3.430 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)o1 40478818 GPVMEZDPVALXKC-UHFFFAOYSA-N 313.382 3.366 0 40 DGAB COc1ccc(OC)c(NC(=O)NCCc2cccs2)c1 40526057 WSTGZHCXHSNBIL-UHFFFAOYSA-N 306.387 3.130 0 40 DGAB Cc1cccc(NC(=O)C(=O)NCc2cccc(Cl)c2)c1C 42646314 UXKYJONGERBEGO-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB Clc1ccc2nc(CN3CCN(C4CCCC4)CC3)cn2c1 45768081 RGLUVGQHPGCWCK-UHFFFAOYSA-N 318.852 3.048 0 40 DGAB O=C(NCCc1ccsc1)N[C@H]1CCOc2ccccc21 46907428 ABPFURCFCXCPLP-AWEZNQCLSA-N 302.399 3.114 0 40 DGAB CCCNC(=O)c1cccc(NCCOc2ccccc2F)c1 55852352 SHDFWYULDOACNK-UHFFFAOYSA-N 316.376 3.456 0 40 DGAB Cc1cccc2sc(N3CCN(c4ccccn4)CC3)nc12 56906068 JEOFCTQJZKKENF-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB C[C@@H](NC[C@@H](c1cccs1)N(C)C)c1nc(C(C)(C)C)no1 58177852 ZIHBTYHLFJUPRP-NEPJUHHUSA-N 322.478 3.382 0 40 DGAB CC(=O)N[C@H](CC(=O)N1CCCc2ccccc21)c1ccccc1 58265426 GWENUSQWTHGWPS-GOSISDBHSA-N 322.408 3.233 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)NCc1ccccc1CO 58343713 DPTSBUFVPXNSMU-UHFFFAOYSA-N 304.777 3.462 0 40 DGAB Cc1ccc(CC(=O)Nc2cccc(-n3cc[nH]c3=S)c2)cn1 58412399 FJCVBLTVQXHVAS-UHFFFAOYSA-N 324.409 3.420 0 40 DGAB COc1ccc(N(C)C(=O)Cc2ccc(-n3cccc3)cc2)cn1 58434199 YDFAKINVFXVEKR-UHFFFAOYSA-N 321.380 3.086 0 40 DGAB CC(=O)N[C@@H](CC(=O)N1CCCCCCC1)c1ccccc1 60388353 ZHJBPLLYHRASKP-KRWDZBQOSA-N 302.418 3.047 0 40 DGAB CCc1noc(C)c1C(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 63488766 DBXJMBRESPOHAS-LLVKDONJSA-N 324.384 3.427 0 40 DGAB Cc1ccc([C@H](C)Nc2nc(CCN)nc3ccccc23)cn1 65371856 BHVSAMLEHQUGOL-ZDUSSCGKSA-N 307.401 3.008 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)NC[C@H](C)N(C)c1ccccc1 65503335 LWBZPFUHXWRQPW-STQMWFEESA-N 315.417 3.036 0 40 DGAB CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccncc1 67296900 BZTXTCGVRBOUJD-UHFFFAOYSA-N 303.337 3.330 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1 69102692 MGAFUCNCJCZHNX-GFCCVEGCSA-N 307.438 3.291 0 40 DGAB Cc1cccc(-c2[nH]ncc2CN[C@@H](C)[C@H](C)n2cccn2)c1 69368409 FZNBUMQHKSPRAQ-GJZGRUSLSA-N 309.417 3.321 0 40 DGAB O=C(NCc1cccc(CO)c1)[C@H]1C[C@H]1c1ccc(Cl)cc1 69436028 ICBWXXPHHUHMJB-IRXDYDNUSA-N 315.800 3.252 0 40 DGAB Cc1noc(CCCC(=O)N[C@H]2CCCCc3ccccc32)n1 69510647 BJMBUDJOCFZMPZ-INIZCTEOSA-N 313.401 3.285 0 40 DGAB COc1ccccc1CC(=O)NCc1nc(C(C)(C)C)cs1 69529584 QFCGHZBCSPZQRK-UHFFFAOYSA-N 318.442 3.308 0 40 DGAB O=C(c1ccc2ccccc2n1)N1CCCC[C@H]1Cn1cccn1 69778627 RCLNMGMFFVEVTF-INIZCTEOSA-N 320.396 3.126 0 40 DGAB Cc1cccc(NC(=O)c2[nH]nc(C(C)C)c2Br)n1 70008220 KFOFTNDCGXEAHF-UHFFFAOYSA-N 323.194 3.251 0 40 DGAB Cc1nccn1CCCNC(=O)C[C@@H]1CCCc2ccccc21 71888252 GMNUZLIQKSIBJY-KRWDZBQOSA-N 311.429 3.208 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@@H]1c1ccccc1 72227108 XSTYFAKLOQDJDA-UONOGXRCSA-N 306.287 3.121 0 40 DGAB CC[C@@H](NC(=O)c1cccnc1)c1nc(C(F)(F)F)cs1 73279774 QIZZAQUCUZSXJY-SECBINFHSA-N 315.320 3.438 0 40 DGAB COCc1nc(C)cc(N[C@@H](C)[C@H](O)c2ccc(Cl)cc2)n1 75055748 HQOKXIRTTHBPPW-ZBEGNZNMSA-N 321.808 3.119 0 40 DGAB O=c1ccn(Cc2ccn(-c3ccccc3)n2)c2ccccc12 75142118 VYPXCUQOAYUYDF-UHFFFAOYSA-N 301.349 3.236 0 40 DGAB O=C(Nc1ccc2ccccc2n1)[C@H]1CCN1Cc1ccccc1 78875628 JJXUAVVCQSRDTI-GOSISDBHSA-N 317.392 3.448 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)c3ccc(C)nc3C)c2c1 79051023 UOKZQDHHRGSMRF-UHFFFAOYSA-N 323.396 3.161 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@@]2(CC=CCC2)C1 79349502 QTRBLQAQEKATLG-KSSFIOAISA-N 316.449 3.321 0 40 DGAB Cc1cc(CC(=O)N2CCC[C@H]2c2ccc(F)c(F)c2)no1 81393156 XGADRQHIJLCTEM-HNNXBMFYSA-N 306.312 3.167 0 40 DGAB Cc1ccccc1CC(=O)N(CC(F)(F)F)[C@H]1CCCOC1 84235559 VUGHPRHBWBXLPC-AWEZNQCLSA-N 315.335 3.107 0 40 DGAB CC(C)(C)n1cc(NC(=O)c2ccc(Br)cn2)cn1 89761602 VOSGNOCYQMNCSM-UHFFFAOYSA-N 323.194 3.048 0 40 DGAB CCCN1C(=O)CCc2cc(NC(=O)CC(F)(F)F)ccc21 91154403 VCGRLQFFJCYRDI-UHFFFAOYSA-N 314.307 3.267 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)c1ccncc1Cl 91455159 UUNMMDJHLAMCBY-VIFPVBQESA-N 308.740 3.374 0 40 DGAB CCOCCN(C)c1nc(-c2cccnc2)nc2ccccc12 92963055 AFYQMQPCZHIXNP-UHFFFAOYSA-N 308.385 3.165 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)c2ccc(C(=O)O)s2)c1 95424351 YGFPIBGEPMTKQN-SECBINFHSA-N 305.355 3.406 0 40 DGAB COc1cccc(C(=O)N(Cc2ccccc2)CC(C)(C)O)c1 95463344 LCICPIWYFZZSES-UHFFFAOYSA-N 313.397 3.109 0 40 DGAB COc1ccc(CNC[C@H](C)Oc2ccccn2)cc1Cl 95472028 BWHTXUCMKWQCDJ-LBPRGKRZSA-N 306.793 3.301 0 40 DGAB Cc1ncc(C(=O)N2CCCc3cc(Cl)ccc32)c(C)n1 95990571 XDSGNLXVBBJFEB-UHFFFAOYSA-N 301.777 3.340 0 40 DGAB O=C(Nc1cnn([C@H]2CCOC2)c1)Nc1ccccc1Cl 96123221 NYSWFLYJNVXCAF-NSHDSACASA-N 306.753 3.142 0 40 DGAB O=C(CCOCC(F)(F)F)NCCc1cc2ccccc2o1 96417072 GQXMUKSVJKMVMG-UHFFFAOYSA-N 315.291 3.061 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)c2csc(COC)n2)C1 96432360 CTVBFAMMUQZPGD-GHMZBOCLSA-N 314.476 3.036 0 40 DGAB CCO[C@@H]1C[C@@H](NCCc2cn3c(n2)CCCC3)C12CCCC2 96493351 AZHRFBZNJWBEAJ-IAGOWNOFSA-N 317.477 3.089 0 40 DGAB CC(=O)c1ccc(CNC(=O)c2c(C)cc(C)cc2C)nc1C 96495227 BAFGFBLVPMOJOG-UHFFFAOYSA-N 310.397 3.448 0 40 DGAB CC(C)c1nnc(N2CCC(c3nncn3C(C)C)CC2)s1 96496724 ODPKPGCOEHDVRO-UHFFFAOYSA-N 320.466 3.218 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)N(C)Cc1ccc(C(=O)O)cc1 97018550 WMJXVEFKZWVGNB-LBPRGKRZSA-N 317.410 3.284 0 40 DGAB C/C(=C\C(=O)NCc1cc(C)on1)c1ccccc1OC(F)F 98056406 XVPLJNDZTHDOAK-JXMROGBWSA-N 322.311 3.304 0 40 DGAB CSCCN(C)CC(=O)c1cc(C)n(CC(F)(F)F)c1C 152335362 KLVNFWVQGHXOCF-UHFFFAOYSA-N 322.396 3.145 0 40 DGAB CCC1(CC)CCCN(C(=O)NCCCc2cnn(C)c2)CC1 189279070 YLZSEPPKCKBGNT-UHFFFAOYSA-N 320.481 3.355 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1Cc1ccc(Cl)cc1 222388686 LPHDWJWQVGENST-QHSBEEBCSA-N 301.773 3.037 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)o1 222858026 OKZJLQSBZRSVLY-HUUCEWRRSA-N 301.415 3.366 0 40 DGAB CCNC(=O)CCc1ncc(-c2cccc(Br)c2)o1 224882670 MMXXZYUQNLSIOJ-UHFFFAOYSA-N 323.190 3.173 0 40 DGAB CCCNC(=S)Nc1ccc2sc(C(=O)OC)cc2c1 225211516 JBIZAZVAGLLDKK-UHFFFAOYSA-N 308.428 3.384 0 40 DGAB Cc1ccc(SCCNC(=S)Nc2ccncc2)cc1 225287407 NRQKDMCNMDZJKC-UHFFFAOYSA-N 303.456 3.469 0 40 DGAB Cc1cccc(NC(=S)N[C@@H](C)COc2ccccc2)n1 225784523 SRRJVZQVECYQFA-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB Cc1cc(N2CCC[C@@H](C)C2)nc(NC(=S)NC(C)(C)C)n1 225896065 HEHPWNMIOXIAJU-LLVKDONJSA-N 321.494 3.106 0 40 DGAB C1CCC(O[C@@H]2CCCC[C@@H]2N2CCN[C@H]3CCCC[C@@H]32)C1 242400238 ARUFQWJKFOKKNK-CADBVGFASA-N 306.494 3.473 0 40 DGAB Cc1cccc(C[C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257219254 DGDXKAOVQQYXPY-HNNXBMFYSA-N 314.454 3.475 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)Cc2c(F)cccc2Cl)n1 257222208 DSJNZQHQBOOIOI-CQSZACIVSA-N 321.783 3.417 0 40 DGAB Cc1nc2sccn2c1CN1CCCC[C@@H]1c1ccncn1 257222431 DTGUNPNPKRKLCK-CQSZACIVSA-N 313.430 3.221 0 40 DGAB CC(=O)NCc1cc([C@H]2CCCN2Cc2cccs2)ccn1 257231633 GHOSGNHDPKPOCD-QGZVFWFLSA-N 315.442 3.116 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@H]2CCN(C(C)C)C2)n1 257250631 JNJCEOVOFGZEFW-LBPRGKRZSA-N 303.435 3.183 0 40 DGAB Cc1cn2c([C@H]3CCCN(C(=O)c4cccnc4)C3)cccc2n1 257300416 RUECLLTXWWHPIV-INIZCTEOSA-N 320.396 3.058 0 40 DGAB CC[C@@H]1C[C@H](c2nc(Cc3c[nH]c4ncccc34)no2)CCO1 274228812 UXPWYRLHAVNMGJ-DGCLKSJQSA-N 312.373 3.209 0 40 DGAB Cc1cc(CCC(=O)N2CC[C@H](OCC3CC3)C2)ccc1F 390831191 QJQPRGIZVQKLBO-INIZCTEOSA-N 305.393 3.094 0 40 DGAB O=C(NCc1ccc2ccccc2n1)[C@@H]1CCc2cccc(O)c21 568583868 FLINNZUACGMTGW-MRXNPFEDSA-N 318.376 3.287 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCC[C@@H](Oc2ccncc2)C1 575605318 JKBSICSUIJLODI-MRXNPFEDSA-N 316.788 3.419 0 40 DGAB O=C(NCc1nccnc1-c1ccoc1)c1c[nH]c2ccccc12 575619394 FIJYRRKSARESPV-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB COc1ccc([C@@H](C)[C@@H](C)NC(=O)c2cc(OC)ns2)cc1 585123517 YPLBKADLWADYGS-WDEREUQCSA-N 320.414 3.082 0 40 DGAB CCc1sc(-n2cccc2)nc1C(=O)Nc1cccc(O)c1 1565524589 OJSPBMXTYYHQQU-UHFFFAOYSA-N 313.382 3.454 0 40 DGAB C[C@@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccnc1 1565550940 KDBHRXRJJXBDJK-SNRMKQJTSA-N 321.424 3.018 0 40 DGAB C/C(=C/c1ccc(OCC(=O)O)c(Cl)c1Cl)[N+](=O)[O-] 1865567 RXJVUAUDFUNCSU-XQRVVYSFSA-N 306.101 3.094 0 40 DGAB O=C(CNc1ccc(Cl)cc1F)N1CCc2ccccc21 3412196 DOYDMYKOCQOVIM-UHFFFAOYSA-N 304.752 3.480 0 40 DGAB O=C(OCC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1F 3571412 NZNWJLXAVHZJTM-UHFFFAOYSA-N 315.275 3.486 0 40 DGAB Cn1c(=S)sc2c(=O)[nH]c(-c3ccc(Cl)cc3)nc21 3627175 SSYLKRXTOWMCRC-UHFFFAOYSA-N 309.803 3.373 0 40 DGAB O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)C1=COCCO1 4136703 ODPTXCJDNMAPPW-UHFFFAOYSA-N 321.336 3.057 0 40 DGAB CCCCCN[C@@H](CC(=O)Nc1c(C)cc(C)cc1C)C(=O)O 5258414 JDYVOSNTYSUJBS-HNNXBMFYSA-N 320.433 3.173 0 40 DGAB CCOC(=O)c1c[nH]nc1NC(=O)Nc1cccc2ccccc12 6265605 LQLPAVZKKVIUQM-UHFFFAOYSA-N 324.340 3.384 0 40 DGAB Cc1nc(C)c(C(=O)O[C@@H](C)C(=O)Nc2ccc(F)cc2)s1 6367032 QOIMWDMMHJCCCL-VIFPVBQESA-N 322.361 3.083 0 40 DGAB Cc1cnn(CCCNC(=O)CC23CC4CC(CC(C4)C2)C3)c1 6790133 XCHKMQIJFRDXND-UHFFFAOYSA-N 315.461 3.304 0 40 DGAB Cc1cccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)c1C 7928653 LABDFCPCYNGEAJ-QGZVFWFLSA-N 323.392 3.258 0 40 DGAB Nn1c(SCc2ccccc2Cl)nc2ccccc2c1=O 8401210 HUBLRWPYCBGRJG-UHFFFAOYSA-N 317.801 3.056 0 40 DGAB O=C(NCc1ccncc1)c1ccccc1C(=O)c1ccccc1 8714239 MBIFRYKSOCASPL-UHFFFAOYSA-N 316.360 3.243 0 40 DGAB CC(=O)c1cccc(OCc2cc(F)cc3c2OCOC3)c1 8939482 WNEPIVKQHPDNJR-UHFFFAOYSA-N 302.301 3.474 0 40 DGAB Cc1cc(OCC(=O)N[C@@H](C)c2ccccn2)ccc1Cl 9368373 VUHNSGJTBUNGHH-LBPRGKRZSA-N 304.777 3.300 0 40 DGAB O=C1N[C@@H](c2ccc(Br)cc2F)Nc2ccccc21 9834452 APGSGGYBSRXUBC-ZDUSSCGKSA-N 321.149 3.442 0 40 DGAB C/C=C/C=C/C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1 11447549 QYRALOIKXHCLLY-CRBCFSCISA-N 312.291 3.050 0 40 DGAB COc1ccc(CCC(=O)O[C@H](C)C(=O)c2ccccc2)cc1 11565661 GHOZLVQMALJYTP-CQSZACIVSA-N 312.365 3.442 0 40 DGAB CCCCOc1cc(C)ccc1S(=O)(=O)N1CCCCC1 11565851 SNAMDACVPABQEF-UHFFFAOYSA-N 311.447 3.349 0 40 DGAB Cc1ccccc1NC(=O)CCc1nc(-c2ccncc2)no1 12618388 XLUULCPHRIGQJQ-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1nc(C2(NC(=O)c3ccc(F)cc3)CCCCC2)no1 12749491 TUNWZTZEBFUORW-UHFFFAOYSA-N 303.337 3.107 0 40 DGAB O=C(Nc1nc(CN2CCCCC2)cs1)c1ccccc1 12750192 HSZRBMBNVMQVOX-UHFFFAOYSA-N 301.415 3.381 0 40 DGAB C[C@H](CN[C@H](c1ccc(F)cc1)P(=O)(O)O)c1ccccc1 12998755 BYMKZRBMSWTANU-WBMJQRKESA-N 323.304 3.395 0 40 DGAB Cc1cnc(C(=O)Nc2cccc(-c3csc(C)n3)c2)cn1 14094056 NMIIIAOBPLANOY-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB CN(C(=O)c1ccc(=O)[nH]c1)C(c1ccccc1)c1ccccc1 16043689 AZAMHIFPFRBPHF-UHFFFAOYSA-N 318.376 3.237 0 40 DGAB O=S(=O)(Oc1ccccc1Br)c1cccs1 16086826 ZHAINSPETBMLMI-UHFFFAOYSA-N 319.201 3.278 0 40 DGAB COc1ccccc1OCCNC(=O)c1ccccc1SC 18075259 QROBGLQXGSUKTG-UHFFFAOYSA-N 317.410 3.226 0 40 DGAB COc1ccccc1CN1CCC[C@@H](N)[C@@H]1c1ccccc1F 19570431 RVCJIGCGSDDVRX-MJGOQNOKSA-N 314.404 3.499 0 40 DGAB CC(C)[C@H](NC(=O)CCc1ccccc1)c1nnc2ccccn12 20744484 KPENBIXVWFZKRY-SFHVURJKSA-N 322.412 3.175 0 40 DGAB C[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccc(Cl)cc1 22090492 GZBOKZTXZSDMNS-LLVKDONJSA-N 313.788 3.427 0 40 DGAB Cc1ccc(OC[C@H](O)Cn2cnc3cc(F)c(F)cc32)cc1 25256345 HMGXZLBUGVXKHV-GFCCVEGCSA-N 318.323 3.063 0 40 DGAB Cc1nn(C)cc1C(=O)N[C@@H](C)c1ccc(-n2cccc2)cc1 28236992 MYESYFLCYJAUDF-ZDUSSCGKSA-N 308.385 3.010 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(N(C)C)nc1 29346697 OIPBDSWKXBDWAH-CQSZACIVSA-N 315.442 3.359 0 40 DGAB Cc1cc(C(=O)NCCc2cn3ccccc3n2)c(C)n1C1CC1 29981781 IHFHTZIKSIIJEG-UHFFFAOYSA-N 322.412 3.060 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CNCc2cccnc2-n2cccn2)o1 30902310 VBRKQIZXGWSQDF-BBRMVZONSA-N 308.385 3.274 0 40 DGAB Cc1ccc(C(=O)NC[C@H]2CCN(c3ccccc3)C2)s1 31236136 MAMUCXIBASUVTE-CQSZACIVSA-N 300.427 3.313 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1 32912081 DKGVEZQPXTUMNI-LJQANCHMSA-N 308.425 3.389 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccccc1C(C)=O 36783914 WYPXWHJTSXNNJD-UHFFFAOYSA-N 321.380 3.440 0 40 DGAB O=C(CCn1ccc2c(Br)cccc21)NC1CC1 40266463 CSFSJSQLMUZCPL-UHFFFAOYSA-N 307.191 3.073 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2F)C1 43583629 QJUYPQBTGYBBAX-JTQLQIEISA-N 313.756 3.196 0 40 DGAB Cc1cc2nc(-c3cc(-n4cnnc4)ccc3O)oc2cc1C 45920586 JTMRHFXHIUKKAJ-UHFFFAOYSA-N 306.325 3.398 0 40 DGAB COc1ccc(Cc2nc3cc(-n4cnnc4)ccc3o2)cc1 57326807 LALIZFVCYVFOTQ-UHFFFAOYSA-N 306.325 3.008 0 40 DGAB NC(=O)Nc1cccc(C(=O)N(C2CCCCC2)C2CC2)c1 58289848 YQAQZCXETHQUJE-UHFFFAOYSA-N 301.390 3.115 0 40 DGAB Cc1cccc(OC[C@@H](O)CN2CC[C@H](c3ccccc3)C2)c1 58378318 QEIZAORKJXJENY-OALUTQOASA-N 311.425 3.224 0 40 DGAB Cc1csc(=O)n1CCN1CCC[C@@H]1c1cccc(F)c1 58404165 XYJOEFZHEIGOCO-OAHLLOKOSA-N 306.406 3.194 0 40 DGAB COc1ccccc1C[C@H]1CCCN([C@@H](C)c2nc(C)no2)C1 66894249 PXBJNJGZVVPXNB-DZGCQCFKSA-N 315.417 3.402 0 40 DGAB NC(=O)[C@@H](NCC1(Sc2ccccc2)CC1)c1ccccc1 68951737 XGWLRYQMRRJXOO-INIZCTEOSA-N 312.438 3.128 0 40 DGAB CCc1noc(CNc2cccc(OCC(F)(F)F)c2C)n1 68963308 MZDLESKHORZKBY-UHFFFAOYSA-N 315.295 3.494 0 40 DGAB Cc1cnn(C2CN(c3ncc(C(F)(F)F)cc3Cl)C2)c1 69616386 PMIKICZQSVLGHW-UHFFFAOYSA-N 316.714 3.320 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H](n3ccnc3C)C2)c(C)o1 69699793 IMFQAPFFHZQQOU-CJNGLKHVSA-N 315.417 3.369 0 40 DGAB O=C(COCC1CC1)Nc1ccc2nc(-c3ccco3)[nH]c2c1 71819977 AUTNHMDZCBWBAW-UHFFFAOYSA-N 311.341 3.188 0 40 DGAB O=C1[C@@H](SC2=NCCS2)CCN1c1ccc(Cl)cc1 71916009 WGCYRZZRBBSTTM-NSHDSACASA-N 312.847 3.281 0 40 DGAB Cc1cc(N2CCOCC2)ncc1[C@H]1CCCCN1CC(C)C 72219423 AIRKICCXRFMXAI-GOSISDBHSA-N 317.477 3.410 0 40 DGAB Cc1csc(C(C)(C)NCC(=O)Nc2ccc(C)c(F)c2)n1 72663020 QUVUVTSEHKNERI-UHFFFAOYSA-N 321.421 3.362 0 40 DGAB COCCc1noc(CN2[C@H](C)CCC[C@@H]2c2ccccc2)n1 75109055 ISLWXGMAOYUMJN-GDBMZVCRSA-N 315.417 3.374 0 40 DGAB Cc1nc(C)n(CC(=O)Nc2ccccc2-c2ccccc2)n1 75572336 CPVZDMOUMNHANH-UHFFFAOYSA-N 306.369 3.201 0 40 DGAB CC(C)OCc1cccc(NC(=O)NC[C@@H]2CCCC[C@@H]2O)c1 77693260 YZRCDIGIAYQIGR-RDJZCZTQSA-N 320.433 3.284 0 40 DGAB O=[S@@](Cc1nc(-c2cccs2)no1)c1cccc(F)c1 83979283 CPZCLSKDIWHLIX-HXUWFJFHSA-N 308.359 3.245 0 40 DGAB CCCOc1cccc(NC(=O)N2CCOC[C@@H]2C2CC2)c1 89857148 MISHNUUOKXQRPH-MRXNPFEDSA-N 304.390 3.118 0 40 DGAB Cc1cc(C)cc(OCCc2nnc(NC(=O)C(C)C)s2)c1 95116440 VXIPCPKOWVSFMM-UHFFFAOYSA-N 319.430 3.371 0 40 DGAB Cc1cc(C)c2c(NCCCOC3CCCC3)ncnc2n1 95377280 LCEDAXXTFIEVAK-UHFFFAOYSA-N 300.406 3.403 0 40 DGAB Cc1nccn1CCCCN[C@@H](C)c1ccc2c(c1)OCO2 95423166 NSWKLQACMZSEDR-ZDUSSCGKSA-N 301.390 3.051 0 40 DGAB O=C(c1cccc2cc[nH]c12)N1CCO[C@@H](c2cccc(O)c2)C1 95424012 KGHNWAFWWKTVIL-QGZVFWFLSA-N 322.364 3.087 0 40 DGAB CSc1nnc(COc2cc(F)cc(F)c2C(C)=O)s1 95427692 DWMFBUMNVMCYET-UHFFFAOYSA-N 316.354 3.320 0 40 DGAB CC[C@H]1CC[C@@H](C)N1C(=O)Nc1cc(C(=O)NC)ccc1C 95459121 BEGGGNKSJYVGQW-OCCSQVGLSA-N 303.406 3.149 0 40 DGAB Cc1nc(C)c(-c2nn3c(C(F)(F)Cl)nnc3s2)s1 95478597 BHHIQWFCPGHESS-UHFFFAOYSA-N 321.765 3.214 0 40 DGAB Cn1cc(NC(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cn1 95977172 HIDZSHACGFXMLP-QAPCUYQASA-N 310.401 3.353 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1cc2c(Cl)cccc2[nH]1 96118228 DIRCSRHDABGRJS-LLVKDONJSA-N 305.809 3.035 0 40 DGAB CO[C@H](CNC(=O)CCc1ccccc1F)c1ccsc1 96120641 VGFNBPJVRSUWIF-OAHLLOKOSA-N 307.390 3.324 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@@]3(CCCC(=O)N3C)C2)cc1 96229739 HLVCXICKHBVIDY-SFHVURJKSA-N 315.417 3.004 0 40 DGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)[C@H]1CCCS1 96443121 FLNSOQFAAVEBIB-LLVKDONJSA-N 324.789 3.329 0 40 DGAB O=C(CCn1cccn1)Nc1ccc(Cl)c(OC(F)F)c1 96500314 KFCJNSLEZLZYCP-UHFFFAOYSA-N 315.707 3.167 0 40 DGAB Cc1nc2n(n1)C[C@@H](NCc1ccc(Oc3ccccc3)o1)CC2 97054722 RYIGBIOLHZNVCN-AWEZNQCLSA-N 324.384 3.076 0 40 DGAB COc1ccc(Cl)cc1C[S@@](=O)Cc1nc(C)c(C)o1 97083588 UDRSXFUTUQOREQ-FQEVSTJZSA-N 313.806 3.402 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N[C@H](C)c2ccc(Cl)s2)on1 97111483 GJWARTSQRLJHDZ-RKDXNWHRSA-N 313.810 3.376 0 40 DGAB Cn1nccc1CCC(=O)Nc1ccc(Oc2ccccc2)nc1 97163694 XRBQKRJLBJFJIQ-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(F)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102328178 JYRNXDJHWBLHAC-BLFANLJRSA-N 315.385 3.068 0 40 DGAB CNC(=O)c1cccc(CN[C@H]2CCC[C@H](C(F)(F)F)C2)c1 129217859 RLDUFMIBRFXVRI-KBPBESRZSA-N 314.351 3.257 0 40 DGAB FC(F)(F)Oc1ccc(C2OCCO2)c(Br)c1 199398231 QWVYPTGLTQVOAN-UHFFFAOYSA-N 313.069 3.393 0 40 DGAB Fc1cc(-c2noc(C3CCN(C4CC4)CC3)n2)cc(F)c1F 252496729 PQFLSRKOVGMXHS-UHFFFAOYSA-N 323.318 3.496 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1[C@H]2CCO[C@H]2C1(C)C)Cc1cccs1 252581884 UQSICWPZUVGJER-ZGKBOVNRSA-N 322.474 3.039 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)C1=Cc2ccccc2OC1 257199810 AAXFJQHVBKNDLI-INIZCTEOSA-N 323.396 3.248 0 40 DGAB CNc1cc([C@H]2CCCN(C(=O)Cc3ccsc3)C2)ccn1 257235391 GXQFRQCBKUORHT-HNNXBMFYSA-N 315.442 3.134 0 40 DGAB C[C@H]1CN(Cc2ccc(-c3ccccc3C(=O)O)o2)C[C@@H](C)O1 257240352 HTCJQYBBYOERGV-BETUJISGSA-N 315.369 3.254 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H](c2ccncn2)C1 257289268 PXVORJJXVRJJJV-ZDUSSCGKSA-N 309.360 3.008 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3c(s2)CCC3)C1 257319872 VUJVZTJRXZNQJR-CYBMUJFWSA-N 315.442 3.288 0 40 DGAB CC(C)(C)[C@@H]1CCCN(C(=O)c2cnn(-c3cccnc3)c2)C1 390833585 JTIPDBZSJGJATK-OAHLLOKOSA-N 312.417 3.166 0 40 DGAB CCOc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2)C1=O 409196528 OUXNXJFGLOIIAZ-FOWTUZBSSA-N 322.364 3.178 0 40 DGAB Cn1c(SCCC(F)(F)Cl)nnc1-c1cccnc1 521395108 JZPXEABUBAOHQI-UHFFFAOYSA-N 304.753 3.191 0 40 DGAB CCC[C@@H](NC(=O)c1coc(C2CCOCC2)n1)C1CCC1 556735412 JEAAZBBCRUXGBL-CQSZACIVSA-N 306.406 3.267 0 40 DGAB Cc1cccc(C)c1NC(=O)NCCCO[C@@H]1CCCCO1 583651898 VJUJFUPKDKSNLM-OAHLLOKOSA-N 306.406 3.358 0 40 DGAB CCCCN1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 585100487 LFXAFCKPDJBALY-KRWDZBQOSA-N 321.490 3.290 0 40 DGAB CC1CCN(C(=O)COc2ccc(Br)cc2)CC1 41537 CPBOHSFXXVEQPJ-UHFFFAOYSA-N 312.207 3.086 0 40 DGAB COc1cccc([C@@H]2C[C@@H](c3ccccc3)n3nc(N)nc3N2)c1 525890 RPJMORVOBIOOAH-HOTGVXAUSA-N 321.384 3.015 0 40 DGAB COc1c(C)cccc1C(=O)Nc1ccc2oc(=O)ccc2c1 557695 IWJVSDJWYNJZEM-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB biogenic,in-vitro CCc1ccccc1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 1481025 MGDFFTXAHMZDRB-HNNXBMFYSA-N 308.381 3.241 0 40 DGAB CC(C)OCCCNC(=S)Nc1ccc(OC(F)F)cc1 2645422 AWJPOMKGORGAED-UHFFFAOYSA-N 318.389 3.390 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)cc1 3281562 OBIXHRAEUUTZOG-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB CCOc1ccc(OCC(=O)Nc2ccc(N(C)C)cc2)cc1 3321591 DDXDYKMBENLHEG-UHFFFAOYSA-N 314.385 3.169 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(C(=O)O)cc2)C1=O 4350113 CDEHCKCDXDGRSX-KWINOFQJSA-N 305.355 3.220 0 40 DGAB CNC(=O)c1ccsc1NC(=O)c1cccc(SC)c1 4517539 DVLUFUYLMYPPFP-UHFFFAOYSA-N 306.412 3.082 0 40 DGAB S=C(NCCCN1Cc2ccccc2C1)Nc1ccccc1 4823128 LCMLJICQYUXNPM-UHFFFAOYSA-N 311.454 3.379 0 40 DGAB CC[C@@H]1C[C@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C1(C)C 5247740 MSTJZJHELXZLQI-NQMVMOMDSA-N 316.656 3.254 0 40 DGAB CCN1CC[C@H](C2(C(=O)OC)c3ccccc3-c3ccccc32)C1 5640173 VTXNXLIZQOUASX-HNNXBMFYSA-N 321.420 3.468 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1F 5688065 MZZCHXGCJOQYOJ-UHFFFAOYSA-N 321.735 3.432 0 40 DGAB Fc1ccc(-c2nnn(Cc3ccc(Cl)cc3F)n2)cc1 5945120 IZWIVLMXEXISLU-UHFFFAOYSA-N 306.703 3.320 0 40 DGAB COc1ccc(/C=C/C(=O)N(C)Cc2ccc(OC)cc2)cc1 7871761 NXDIOFIUGYKSLD-MDWZMJQESA-N 311.381 3.376 0 40 DGAB O=C(NC[C@@H](c1ccsc1)N1CCCC1)c1ccccc1 8862637 QCUGYSIKPIKFDL-INIZCTEOSA-N 300.427 3.315 0 40 DGAB CC(C)C(=O)N1CCc2ccc(NC(=O)c3ccco3)cc2C1 9035933 MWYXWVBRUVWKER-UHFFFAOYSA-N 312.369 3.073 0 40 DGAB O=C(Nc1ccncc1)c1nn(-c2ccccc2)c2c1CCC2 9339233 VUUVRUDEZQMDJZ-UHFFFAOYSA-N 304.353 3.008 0 40 DGAB COc1ccc(-c2nn3c(CC(C)C)nnc3s2)cc1OC 11278590 CHBJORZMDKOQMS-UHFFFAOYSA-N 318.402 3.069 0 40 DGAB CC[C@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccs1 12680900 WBOXMPSXZLTSEL-LBPRGKRZSA-N 316.426 3.458 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)O)[C@@H]2C(=O)NCc1cccs1 13320275 OBPHHSJTTNHASM-AYRXBEOTSA-N 319.426 3.058 0 40 DGAB CCOCCCNC(=O)[C@H](C)Oc1cccc2ccccc12 13709246 ILDSCPXWIYXQLG-AWEZNQCLSA-N 301.386 3.150 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N[C@@H](C)c1ccc(F)cc1 14054247 DABDQAZICDDNCV-LBPRGKRZSA-N 324.355 3.130 0 40 DGAB COC(=O)c1c(C)cccc1NC(=O)c1cccnc1SC 14197358 JUAINZWVKCJTDG-UHFFFAOYSA-N 316.382 3.151 0 40 DGAB Cc1ccc([C@@H](CNC(=O)c2ccc(Cl)cc2)N(C)C)o1 15860096 NPWZMCOFWUKTOM-CQSZACIVSA-N 306.793 3.274 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C(=O)OCc1ccccc1 22053906 OJDLZOUHAPYVTA-XHSDSOJGSA-N 317.385 3.289 0 40 DGAB in-vitro CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc(C(=O)O)cc1 22524882 WXMZFHGTOROXKA-HNNXBMFYSA-N 317.316 3.320 0 40 DGAB CCOC(=O)c1cc(Cl)c(C)c(I)c1 26508426 NVSGLGLOTOXSKX-UHFFFAOYSA-N 324.545 3.430 0 40 DGAB COc1cccc(C(=O)Nc2ccc(-n3ccnc3)cc2)c1OC 30608427 MNDBTPBANLYNLY-UHFFFAOYSA-N 323.352 3.142 0 40 DGAB CCN(CC)[C@H](CNC(=O)Nc1cc(C)on1)c1ccsc1 31097313 MQQVZAUXRNKKAS-CYBMUJFWSA-N 322.434 3.249 0 40 DGAB O=C(CSCc1ccccc1)NCCc1cccc(F)c1 32745060 KCZDGXQKRZEVBW-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB Cc1nc(CSCC(=O)NCc2ccccc2F)cs1 32808642 DJMBVYPOVXKKQG-UHFFFAOYSA-N 310.419 3.140 0 40 DGAB Cc1cc(C)cc(OCCOC(=O)c2c(C)cc(=O)oc2C)c1 32850498 VSETVGBFRXURMG-UHFFFAOYSA-N 316.353 3.109 0 40 DGAB O=C(Cn1nc(C(F)F)c2c1CCC2)NC1CCCCCC1 36614152 AGLUEWPOVHQBAR-UHFFFAOYSA-N 311.376 3.148 0 40 DGAB Cc1ccc(S(=O)(=O)NC(C)(C)Cc2ccccc2)cc1 38228971 UVHCLBHHPPPICF-UHFFFAOYSA-N 303.427 3.295 0 40 DGAB C(=C/c1nc2ccccc2s1)\c1cnc(N2CCOCC2)nc1 44977986 XWJUHZNNFPUJKR-AATRIKPKSA-N 324.409 3.093 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@@H]2c2ccsc2)on1 48290012 XMHMQGBTSGHHHM-DGCLKSJQSA-N 305.403 3.209 0 40 DGAB O=C(CN1CCC(c2ccccc2)CC1)Nc1ccc(O)cc1 48354609 BGUODXPZKOOYAA-UHFFFAOYSA-N 310.397 3.210 0 40 DGAB O=Cc1ccc(-c2ccc(S(=O)(=O)O)c(C(F)(F)F)c2)o1 57327577 KWAYKQJAKJSYBK-UHFFFAOYSA-N 320.244 3.025 0 40 DGAB COc1ccc(C)cc1CN1CCCN(c2nccs2)CC1 60099657 FOUGWYMLXRMFLJ-UHFFFAOYSA-N 317.458 3.172 0 40 DGAB CN1/C(=C\C=N\NC(=O)c2cccn2C)C(C)(C)c2ccccc21 61460120 NKKRRAUGIJUYNP-XAJBPTSZSA-N 322.412 3.052 0 40 DGAB CCn1c(C)cc(C(=O)Nc2cccc(-c3n[nH]c(C)n3)c2)c1C 65578508 FZVFVTAUUPFLTO-UHFFFAOYSA-N 323.400 3.471 0 40 DGAB CC(=O)c1sc([C@@H]2CN(Cc3ccccc3)CCO2)nc1C 65609559 YDDRUMSDCPGOAH-HNNXBMFYSA-N 316.426 3.228 0 40 DGAB CCSc1ccc(C(=O)N(C)Cc2csc(CC)n2)cn1 68673619 RJOSSLNURVAGCG-UHFFFAOYSA-N 321.471 3.485 0 40 DGAB CCCCn1nc(C(=O)OC2CCCCCCC2)ccc1=O 69183305 YOLHYGGKLYRVPP-UHFFFAOYSA-N 306.406 3.313 0 40 DGAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@H](n2cccn2)C1 69351289 OSHQZUZHJVHKLJ-SFHVURJKSA-N 320.396 3.151 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CC[C@H](c2cccc(F)c2)C1 70040171 GDTVABNCEAIJHT-AWEZNQCLSA-N 309.344 3.332 0 40 DGAB Cc1nc(CN[C@@H](C)c2cccc(N3CCCC3=O)c2)cs1 71831342 WXEGALWEYNYLFF-LBPRGKRZSA-N 315.442 3.429 0 40 DGAB C[C@@H]1Oc2c(cccc2C(=O)N2C[C@@H](C)c3ccccc32)NC1=O 71847349 MRGDOAJIFOKPQB-NEPJUHHUSA-N 322.364 3.170 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccccc2C(F)(F)F)nc1 71920912 JMTXTJPWMQQHQT-UHFFFAOYSA-N 310.275 3.426 0 40 DGAB CCOc1cc(C(=O)N2CCCC[C@H]2C)nn1-c1ccccc1 72264711 OOJMVAKUPHVTHA-CQSZACIVSA-N 313.401 3.286 0 40 DGAB C[C@H](O)c1ccc(CNC(=O)c2ccccc2OC(F)F)cc1 72273201 WZDYEBZHXDFEAI-NSHDSACASA-N 321.323 3.271 0 40 DGAB O=C(COC(=O)c1cc(F)ccc1Cl)Nc1ccccc1 72330129 SLEGEVYJKNHGEF-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB O=C(Nc1ccc2oc(=O)ccc2c1)c1ccncc1Cl 73046685 GSYJDGIINGCMPI-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB C[C@@H]1SCCN(C(=O)N[C@@H](c2nccs2)C2CC2)[C@H]1C 74709637 XJCVAUHPFZLLDG-JBLDHEPKSA-N 311.476 3.130 0 40 DGAB Brc1cnc(N[C@H]2CCO[C@H]2c2ccccc2)nc1 75092149 LEESQGCAYKTRCM-STQMWFEESA-N 320.190 3.181 0 40 DGAB C[C@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 75145983 GYOIKJGSADEIHO-LBPRGKRZSA-N 320.339 3.380 0 40 DGAB COc1ccc(CNCCc2cc(F)cc3c2OCOC3)cc1 78552805 HFLWAABTZVHOQT-UHFFFAOYSA-N 317.360 3.033 0 40 DGAB CCC(=O)Nc1ccc([C@@H](C)N[C@@H](C)c2nc(CC)no2)cc1 79354843 SENGRVPLPYNSCX-NEPJUHHUSA-N 316.405 3.392 0 40 DGAB OC1=Nc2[nH]ncc2[C@H](c2c[nH]nc2-c2ccccc2)SC1 79480210 AMTQQZVRXZKMGT-AWEZNQCLSA-N 311.370 3.224 0 40 DGAB CN(Cc1nc(C(F)(F)F)cs1)C(=O)[C@H]1CC=CCC1 80507208 MYVUVQBRYROLBQ-VIFPVBQESA-N 304.337 3.477 0 40 DGAB COc1ncc(C)cc1NC(=O)c1scnc1C(C)(C)C 80945668 HABXLJWTCWYCPL-UHFFFAOYSA-N 305.403 3.405 0 40 DGAB CCOCCOc1c(Cl)cccc1NCc1noc(C)n1 84501780 FVYUVSFIOUURNW-UHFFFAOYSA-N 311.769 3.059 0 40 DGAB COCc1csc(NC(=O)c2cc(F)cc(Cl)c2O)n1 89420393 MLZDXRNRZYJWAT-UHFFFAOYSA-N 316.741 3.040 0 40 DGAB CCN(Cc1nc(O)n[nH]1)[C@@H](C)c1cccc(C(F)(F)F)c1 91550955 RQKAPMFKSHUPCH-VIFPVBQESA-N 314.311 3.112 0 40 DGAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccc2nccnc2c1 95348953 GBOFQAYBOIPXIG-NEPJUHHUSA-N 323.318 3.481 0 40 DGAB CCc1nc2c(s1)[C@H](OC(=O)c1ncoc1CC)CCC2 95414202 YCOIMBAUZHQSSO-LLVKDONJSA-N 306.387 3.490 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)N(C)CCc1nccs1 95435429 AUQGFSOCYUPVDE-CQSZACIVSA-N 317.458 3.261 0 40 DGAB CC1(C)C[C@H](NCc2nccn2Cc2ccccc2)C(C)(C)O1 95968685 OKBZGLUZLVORQS-INIZCTEOSA-N 313.445 3.367 0 40 DGAB Cn1ccnc1CN1CCC(Oc2ccccc2Cl)CC1 95973845 ZNJBAQUUOXFDPY-UHFFFAOYSA-N 305.809 3.117 0 40 DGAB O=C(NC1CC=CC1)N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1 95984103 YSQOXULPIJYLTH-CABCVRRESA-N 306.793 3.188 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N(C)c1cccc2ncccc12 95988346 AXLQGLHXNQSWGM-UHFFFAOYSA-N 314.385 3.177 0 40 DGAB CC[C@H](CO)NC(=O)Nc1sc(-c2ccccc2)nc1C 96010735 NYRYCPWFZZHSAN-GFCCVEGCSA-N 305.403 3.011 0 40 DGAB CC(C)(C)OC(=O)N1CC(CCOC(=O)c2ccccc2)C1 96013388 DUYCNSFGAWUBJJ-UHFFFAOYSA-N 305.374 3.100 0 40 DGAB CO[C@@H]1COC2(CCN(Cc3ccc4ccccc4n3)CC2)C1 96106541 WCSFQGXSWXZUJB-KRWDZBQOSA-N 312.413 3.005 0 40 DGAB CSc1c(Cl)cccc1NC(=O)NCc1ccnc(C)n1 96435390 MWNKELKJLKEJHU-UHFFFAOYSA-N 322.821 3.482 0 40 DGAB c1ccc2c(c1)CCSC[C@H]2NC1CCN(C2CC2)CC1 96476450 JPQVWJZPRHVWLA-GOSISDBHSA-N 302.487 3.233 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NC[C@@H](O)c2ccco2)cc1 96476536 NXUZUQOZHLISES-CXAGYDPISA-N 311.385 3.158 0 40 DGAB COC(C)(C)C[C@H](C)NC1CCN(c2nc(C)cs2)CC1 96478575 PNHDSVUSAKCWNG-LBPRGKRZSA-N 311.495 3.214 0 40 DGAB CCO[C@@H]1C[C@H](NC2CCN(CC(F)F)CC2)C12CCCC2 96478803 IIBLMRUVCYLOCR-LSDHHAIUSA-N 316.436 3.043 0 40 DGAB O=C(O)c1cccc(NC(=O)c2ncoc2-c2cccs2)c1 96480340 OGPWNJOEOKLDFN-UHFFFAOYSA-N 314.322 3.354 0 40 DGAB CCc1noc(C)c1COc1cc(N(C)C)ccc1C(C)=O 97114899 JZUNVTFVGRLJBL-UHFFFAOYSA-N 302.374 3.393 0 40 DGAB CC(C)(C)c1ccc(NC(=O)NCCC[C@H]2CCCCO2)nn1 97138315 CLQZLCYBGVASMS-CYBMUJFWSA-N 320.437 3.245 0 40 DGAB COC(=O)CCN(C(=O)c1ccc(Cl)o1)c1ccccc1C 97139699 RDRHMDJXZDAXJD-UHFFFAOYSA-N 321.760 3.451 0 40 DGAB O=C1C[C@@H](Nc2ccc(F)cc2)C(=O)N1c1ccc(Cl)cc1 100985746 UDNNFSVJWRDNBF-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CC(=O)O[C@@H]1CC[C@H]2[C@H]3CC[C@H]4OC(=O)C=C[C@@H]4[C@@H]3CC[C@@]21C 104056356 HLTJNNHJVDFQJM-AULAEIDCSA-N 318.413 3.252 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccccc1Cn1ccnc1 106554708 UNPNXGCSGRQJSL-TXPKVOOTSA-N 323.440 3.374 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)[C@@H]1C[C@H]2CC[C@H]1C2 106653161 JEOMQPNHSJAZLL-HRCADAONSA-N 323.396 3.430 0 40 DGAB Cc1ccc(CN2CC[C@H]3OCCC[C@@]3(COCC3CC3)C2)o1 107751981 CKHUCMLMMYHWJX-MOPGFXCFSA-N 319.445 3.386 0 40 DGAB CCOc1ccccc1NC(=O)c1c[nH]c2ccccc2c1=O 113731804 PTMXIWAIHJERFJ-UHFFFAOYSA-N 308.337 3.179 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@@H]4CC(=O)CC[C@]34C)[C@@H]1CC[C@H]2O 118926473 SOQWQZZNPGBTQR-WXCJWDIGSA-N 304.430 3.138 0 40 DGAB O=S(=O)(Nc1ccc2sncc2c1)c1ccc(F)cc1 190155478 KSRASDHISLSUGP-UHFFFAOYSA-N 308.359 3.236 0 40 DGAB C[C@@H](N)c1nnc2ccc(-c3ccc(Cl)cc3Cl)nn12 217554471 UDGFLLCZFMAUOF-SSDOTTSWSA-N 308.172 3.118 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1CC 222897601 AXLUDRBJUUBVDN-HZPDHXFCSA-N 314.458 3.286 0 40 DGAB COc1cccnc1NC(=S)N[C@H]1CCCc2ccccc21 225463095 UQEZKMZAIGKRAU-AWEZNQCLSA-N 313.426 3.454 0 40 DGAB Cc1ccc(NC(=O)c2cc(N3CCCC3)ncn2)c(Cl)c1 225537130 CVPIJRBXUBDWEY-UHFFFAOYSA-N 316.792 3.291 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(Cc2ccccc2N2CCCC2)C1 257269838 MRPBTARLWGDERT-KRWDZBQOSA-N 310.445 3.308 0 40 DGAB O=Cc1ccc(Sc2nnc(COc3ccccc3)o2)o1 408555312 WLLDAKADZUVXAO-UHFFFAOYSA-N 302.311 3.205 0 40 DGAB CCc1oncc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 509379405 QKJSUIQAEKHYOI-UHFFFAOYSA-N 308.403 3.335 0 40 DGAB Cc1nc(O)[nH]c1C(=O)NC1(c2cccc(Cl)c2)CCCC1 581259481 KVBDDCBADRIVOQ-UHFFFAOYSA-N 319.792 3.276 0 40 DGAB Oc1cc(CNc2nc3ccccc3s2)nc(C2CCC2)n1 585136609 MWOSJZJFYQJZPR-UHFFFAOYSA-N 312.398 3.672 0 40 DGAB Fc1ccc(F)c(CN2CCC(Oc3nccs3)CC2)c1 2086884504 CBRDWOPWDSZFMO-UHFFFAOYSA-N 310.369 3.465 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CCCN1C(=O)Oc1ccccc1 49449 VUNGPIBABRURPY-MRXNPFEDSA-N 316.401 3.099 0 40 DGAB Cc1cc(C)c(C(=O)C[C@@]2(O)C(=O)Nc3ccccc32)cc1C 71477 USRORBOLLJWNMP-IBGZPJMESA-N 309.365 3.025 0 40 DGAB CC(C)Sc1nnc([C@@H](N)Cc2c[nH]c3ccccc23)o1 527712 IXDRMQDMJJHUQN-LBPRGKRZSA-N 302.403 3.294 0 40 DGAB O=C(NC[C@H]1CCCO1)[C@@H]1CC1(c1ccccc1)c1ccccc1 553036 QOZSPGKNMOQHOC-MOPGFXCFSA-N 321.420 3.288 0 40 DGAB CC(C)(C)NC(=O)c1cccc(NC(=O)Cc2cccs2)c1 857592 FTXBPTALMVLZIL-UHFFFAOYSA-N 316.426 3.458 0 40 DGAB Clc1cccc(Cl)c1Cn1nnc(-c2ccncc2)n1 1044923 NAUYCTUEVPUODK-UHFFFAOYSA-N 306.156 3.090 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)c3cccnc3)cs2)cc1 1384543 DBVVBGALTDTJSH-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CCOC(=O)c1cnc(SC)nc1Nc1ccc(OC)cc1 3141810 HYWKNVJGIGCQKX-UHFFFAOYSA-N 319.386 3.127 0 40 DGAB S=c1[nH]nc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCO1 3342637 NBSKZRXAOBUAFJ-JTQLQIEISA-N 300.387 3.268 0 40 DGAB C/C=C/c1ccc(OCC(=O)Nc2cc(C)on2)c(OC)c1 3404628 WPVSAUXCNAELKR-SNAWJCMRSA-N 302.330 3.042 0 40 DGAB CC(=O)CCc1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 3486646 JHIHAKSGOJGXCV-RDTXWAMCSA-N 317.429 3.282 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43CO)[C@@H]1CCC2=O 4025845 XGUHPTGEXRHMQQ-MQOOWTBDSA-N 302.414 3.060 0 40 DGAB biogenic CCn1c(CCC(=O)Nc2ccccc2Cl)n[nH]c1=S 4736535 VGVCYTSGCRNAJH-UHFFFAOYSA-N 310.810 3.185 0 40 DGAB CCOc1cc([C@H]2N(C)C(=O)c3ccccc3N2C)ccc1O 4853778 ATAFWCLHDGJOBL-QGZVFWFLSA-N 312.369 3.012 0 40 DGAB CC1=C(C(=O)OC2CCCC2)[C@@H](c2ccccc2)n2ncnc2N1 4987255 BTETUASEYNEVMQ-MRXNPFEDSA-N 324.384 3.053 0 40 DGAB CC(=O)Nc1ccc(NC(=S)NCCc2ccccc2)cc1 5495532 UARGTFIDUOZXPS-UHFFFAOYSA-N 313.426 3.174 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1F 6879830 YBXAQECQGSKQFD-UHFFFAOYSA-N 321.735 3.432 0 40 DGAB Cn1c(SCCc2ccncc2)nnc1-c1ccccc1F 7034508 ZZTNNBZVFPKEML-UHFFFAOYSA-N 314.389 3.351 0 40 DGAB CC1(C)Cc2cccc(OCC(=O)NCc3cccs3)c2O1 7453446 UDWARHBFMVZVCR-UHFFFAOYSA-N 317.410 3.157 0 40 DGAB CCOc1cccc(CNCCc2ccc(OC)c(OC)c2)c1 8325227 JBIFJCQCCGEELV-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 8333301 HBOROGHAXAZFBS-WFASDCNBSA-N 302.418 3.245 0 40 DGAB COc1ccc(Cl)cc1CNc1nnc2n1CCCCC2 8493032 ZYBKVSHIFTWNCM-UHFFFAOYSA-N 306.797 3.279 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)c1ccccc1)c1cccs1 8734527 IVKARGKZICWBIH-WFASDCNBSA-N 316.426 3.193 0 40 DGAB NC(=O)c1cccc(NC(=O)CCc2ccc(Cl)cc2)c1 9217378 MBHTXQARTFYNSF-UHFFFAOYSA-N 302.761 3.010 0 40 DGAB COc1cc(C)ccc1OCC(=O)Nc1ccc(C)cc1F 10025977 WHCIYTYWDNBLIR-UHFFFAOYSA-N 303.333 3.469 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2cccc(F)c2)c2nccn2C)cc1 12507190 JQXLKUJISHRQAB-KRWDZBQOSA-N 323.371 3.387 0 40 DGAB C[C@H](NC(=O)CCc1cccnc1)c1ccc(-n2ccnc2)cc1 12582250 WBXNMSBORQDWGC-HNNXBMFYSA-N 320.396 3.077 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1ccc(NC(=O)C(C)C)cc1 12767238 ZNFTVWFZSQWFMV-UHFFFAOYSA-N 315.373 3.067 0 40 DGAB CON(C)C(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 14060797 YUWGFYZBVVGKHU-UHFFFAOYSA-N 324.384 3.313 0 40 DGAB COc1ccc(NC(=O)c2ccc(C)c(OC)c2)c(OC)c1 14092673 XKHDRNIQHXTSHV-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB COc1ccc(-c2c(C)n[nH]c2NC(=O)c2cccnc2)cc1 15081306 SPDDDUKWQCSZSS-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)C[C@H]1C=CCC1 17966658 VXAUGEFALBVAEH-LBPRGKRZSA-N 306.793 3.093 0 40 DGAB Cc1cc(C)cc(CSCC(=O)NCc2ccccn2)c1 18194359 GPRYRKYCYCOEIE-UHFFFAOYSA-N 300.427 3.248 0 40 DGAB COc1cc(N)ccc1NC(=O)c1ccccc1Br 20343249 HMNOQSATGSVCCD-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CC(C)C(=O)NC(=S)N[C@@H](C)C12CC3CC(CC(C3)C1)C2 21596340 BMXFTTDCVYMANZ-GVMDUPDNSA-N 308.491 3.238 0 40 DGAB CCCNC(=O)[C@H](C)OC(=O)/C=C/c1ccc(C(C)C)cc1 21604414 MQJMRZZTJXBQIK-ZHZWZMEUSA-N 303.402 3.281 0 40 DGAB C[C@H](NCc1ccc(F)cc1)c1ccc(S(C)(=O)=O)cc1 21813534 GMSNIYJXMABJJS-LBPRGKRZSA-N 307.390 3.080 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)c1ccc(-n2cccc2)cc1 25444731 AGDTZJHZFARMGT-UHFFFAOYSA-N 310.382 3.459 0 40 DGAB CC(C)(C)c1nc(CSc2nc(C3CCCC3)n[nH]2)no1 28016230 SWWKALZNWLSOMO-UHFFFAOYSA-N 307.423 3.435 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)nn1C 28231104 CZNFOTOILMOSRD-AWEZNQCLSA-N 308.385 3.010 0 40 DGAB Cc1ccc(OCCNC(=O)NOCc2ccccc2)c(C)c1 32779721 JRCIMRPQGCBFRI-UHFFFAOYSA-N 314.385 3.113 0 40 DGAB COC(=O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1 36470350 CWWDOSGINLYWIK-MRXNPFEDSA-N 313.353 3.217 0 40 DGAB COc1ccc(CN[C@@H](C)c2ccc3c(c2)OCCO3)cc1F 40009448 YNLDZALTIXKTLV-LBPRGKRZSA-N 317.360 3.456 0 40 DGAB O=C(NCCCOc1ccccc1)N1CCc2sccc2C1 40071315 OMSCDZYOAOGWTA-UHFFFAOYSA-N 316.426 3.285 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2c[nH]c3ccccc23)CC1 40434580 QQBQPYPBAVBBSA-UHFFFAOYSA-N 301.390 3.225 0 40 DGAB CC(C)(C)OC(=O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)OC(C)(C)C 40435295 REJIQUVHYOYYCK-AVGNSLFASA-N 311.422 3.364 0 40 DGAB in-vitro Cc1noc([C@H]2CCCN(C(=O)Nc3cccc(Cl)c3)C2)n1 40556014 BGSNPIGCZNLRRU-NSHDSACASA-N 320.780 3.443 0 40 DGAB CC(C)CN(C(=O)Nc1cccc(C(=O)N(C)C)c1)C1CC1 43989221 WBMRKRQNCCADNT-UHFFFAOYSA-N 303.406 3.041 0 40 DGAB Clc1cc(CSc2nncs2)cc2c1OCCO2 44869482 UXUARWIZKNCPHY-UHFFFAOYSA-N 300.792 3.255 0 40 DGAB COc1ccc(CN(C)C(=O)c2ccc(F)cc2)cc1OC 44949171 SMPLWEQHWNGSRB-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB COC(=O)c1ccc(OCc2noc(-c3cccs3)n2)cc1 45102415 LLZUBWQFHDCZCZ-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB COc1ccc2oc(-c3ccc(Cn4cnnc4)cc3)nc2c1 45920834 QQOPIZGZWRPPGX-UHFFFAOYSA-N 306.325 3.143 0 40 DGAB Cc1nnc(CN2CCC[C@H]2c2ccc(Br)cc2)o1 52452926 DSGAGTWYFDPNII-ZDUSSCGKSA-N 322.206 3.478 0 40 DGAB Cc1cc(NC(=O)CN2CCc3c([nH]c4ccccc34)[C@H]2C)on1 53264171 RLGZLWMEGKDSCA-GFCCVEGCSA-N 324.384 3.022 0 40 DGAB O=C(NCc1ccncc1)N[C@@H]1CCc2cc(Cl)ccc21 56909532 GBIMAYKCUICAMW-OAHLLOKOSA-N 301.777 3.222 0 40 DGAB O=C(Nc1cccc(Oc2cnccn2)c1)OCC(F)(F)F 58159390 PVSDJAJEFWCMDM-UHFFFAOYSA-N 313.235 3.380 0 40 DGAB Cc1noc(C)c1NC(=O)c1ccc(Br)cc1F 58201131 YTNHHPXIHUGMHU-UHFFFAOYSA-N 313.126 3.445 0 40 DGAB COCc1nc(-c2ccc(CC[C@H](C)NC(C)=O)cc2)cs1 58210180 YFIZNGJGKCHMPP-LBPRGKRZSA-N 318.442 3.414 0 40 DGAB C[C@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1 58230996 GWVNXIVTXQIWKL-ZDUSSCGKSA-N 310.353 3.134 0 40 DGAB CC(C)c1nc2cc(N[C@@H](C)C(=O)N3CCCC3)ccc2o1 65547545 YDFJGOPOJASLQC-LBPRGKRZSA-N 301.390 3.374 0 40 DGAB CCCN(CCC)C(=O)c1cnn(-c2ccccn2)c1CC 65613139 CRSBDOMAROGIRI-UHFFFAOYSA-N 300.406 3.092 0 40 DGAB Cc1cc(NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)n(C)n1 66302768 MWKWRIFBVFXXGT-UHFFFAOYSA-N 323.318 3.418 0 40 DGAB Cc1ccc(-c2n[nH]cc2CNC[C@H](O)C2CCCCC2)o1 69170629 TYJAWCGQILGNRP-HNNXBMFYSA-N 303.406 3.009 0 40 DGAB O=C(Cc1cccc(F)c1)NCCc1coc(-c2ccccc2)n1 69389247 PLPNLTUOVDIXRD-UHFFFAOYSA-N 324.355 3.382 0 40 DGAB CN(C(=O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CC1 70040758 FHMBEWJXSSYDIN-HXUWFJFHSA-N 320.436 3.255 0 40 DGAB CC(C)CCNC(=O)[C@H](NC(=O)C1CCC(C)CC1)C(C)C 71787459 TXFLUFVSGUCODJ-UYSNPLJNSA-N 310.482 3.116 0 40 DGAB Cc1csc(N2CCN([C@@H](C)c3cccnc3)C[C@@H]2C)n1 71863957 SAJCVKNZNHBLIA-KBPBESRZSA-N 302.447 3.118 0 40 DGAB CC(C)Oc1ccccc1CC(=O)N1CCCO[C@@H]2CCC[C@@H]21 71909674 YSXOSGWRXOZNLZ-FUHWJXTLSA-N 317.429 3.186 0 40 DGAB COCC(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 74103740 UPTWGISKJVKZGO-VIFPVBQESA-N 308.378 3.081 0 40 DGAB CC(C)n1ccc(C(=O)N[C@@H](C)c2nc(-c3ccccc3)c[nH]2)n1 75137989 RKZNYPXWQKDCFK-ZDUSSCGKSA-N 323.400 3.345 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)N(C)CC2CCC2)cc1OC 75612526 JHYPCJDFHKTJIZ-NSHDSACASA-N 324.396 3.345 0 40 DGAB Cc1nnc(-c2cccc(NC(=O)CCc3ccccn3)c2)o1 76041206 RMOJAPAHHGOXEZ-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1cccc(C)c1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78403855 YLYXZXMUMICBQF-CYBMUJFWSA-N 316.426 3.461 0 40 DGAB Cn1ccc2cc(C(=O)Nc3cccc(-c4nc[nH]n4)c3)ccc21 79477519 DDHHWTKZUZUBJX-UHFFFAOYSA-N 317.352 3.216 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)Nc2cccc(CN(C)C)c2)C1 89319429 OFFPAQDWPSWJQS-HOTGVXAUSA-N 321.490 3.496 0 40 DGAB Cc1noc(C)c1CNC1(c2noc(C3CC3)n2)CCCC1 89529375 OKGWQFIZWGOKSB-UHFFFAOYSA-N 302.378 3.111 0 40 DGAB O=C(Nc1nncn1-c1ccccc1)c1cccc(F)c1Cl 95988445 HEBPUQUDHKFABA-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CO[C@@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 96241658 VYRVGMIVYHDGCN-RHSMWYFYSA-N 305.393 3.039 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)c2csc(COC)n2)C1 96451536 CMTLPTYTKROLNI-WDEREUQCSA-N 314.476 3.084 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NCC[S@@](=O)C(C)(C)C 96477871 FKYSUXFBXZWCKH-QKVFXAPYSA-N 324.515 3.364 0 40 DGAB COCc1nc(CSc2nc3cc(Cl)ccc3[nH]2)no1 96500017 BAEKUENFSXRUSV-UHFFFAOYSA-N 310.766 3.038 0 40 DGAB O=C1CCCCN1CC(=O)N1CCC[C@H]1c1ccccc1Cl 97017993 FUNWQLSZNQOPPM-HNNXBMFYSA-N 320.820 3.016 0 40 DGAB CSC[C@H](C)NC(=O)N1CCCCC[C@@H]1c1c(C)n[nH]c1C 97080513 SWRSFOCVTOFXMA-SMDDNHRTSA-N 324.494 3.405 0 40 DGAB COc1cccc(NC(=O)NC[C@@H](C)N2CCCC[C@@H]2C)c1 106073621 YQNXDWQYWISASY-UONOGXRCSA-N 305.422 3.080 0 40 DGAB O=C(Cc1cccs1)Nc1ccc2c(c1)CCCC(=O)N2 171254272 XXSYDRCHLNVSFL-UHFFFAOYSA-N 300.383 3.204 0 40 DGAB Cc1cc(CN(C)[C@@H](C)c2ccncc2)ccc1-n1cncn1 183716302 FANOFRMLUAATIO-HNNXBMFYSA-N 307.401 3.164 0 40 DGAB COc1ccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)cc1 209339032 UHWHFZCDLNWNTK-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB CCCCCNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)C(C)C 222759875 GXVCVSXCRDEATF-INIZCTEOSA-N 318.461 3.366 0 40 DGAB CNC(=O)c1ccc(OC)c(COc2ccc(Cl)cc2)c1 224153533 HHHZDCBLIBXEOW-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB O=C(CCc1ccc2c(c1)OCCO2)NCC1CCCCC1 224944066 NTUDXTVNFDNFGT-UHFFFAOYSA-N 303.402 3.087 0 40 DGAB COc1ccc(CNC(=S)Nc2c(F)cccc2F)cc1 225314360 WDCXGTARLWGSHZ-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB Cc1nc(Cc2ccccc2)ncc1C(=O)N1CCC(C)CC1 225794784 XMZKGCRMHXDOCH-UHFFFAOYSA-N 309.413 3.248 0 40 DGAB COc1ccc(NC(=O)c2cc3cc(C)ccc3oc2=O)cc1 226036805 BRMWHPIOGSPNAY-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB Cc1ncsc1C(=O)N1CCC[C@@H]1c1cccc2nccn12 257254075 KBLOCHHOFSVCMC-CYBMUJFWSA-N 312.398 3.077 0 40 DGAB Cc1nn(C)c2nc([C@]3(C)CCCN(c4ccccn4)C3)ccc12 257258558 KUOIIZVWKWYSMA-LJQANCHMSA-N 321.428 3.230 0 40 DGAB CCOc1ccccc1NC(=O)/C=C/c1cnc(SC)nc1 408532205 NXLKROFZPPBNLJ-CMDGGOBGSA-N 315.398 3.249 0 40 DGAB CCN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409234575 NWSTXNRENMQWFZ-NTEUORMPSA-N 302.374 3.040 0 40 DGAB FC(F)(F)CN1CC[C@H](Nc2cncc(-c3ccccc3)n2)C1 537410049 DLWIZXMFVVPJSR-ZDUSSCGKSA-N 322.334 3.192 0 40 DGAB CCn1c(S[C@H]2CCC(C)(C)C2)nnc1-c1cnccn1 566207971 GVTLTFACLDWXNQ-NSHDSACASA-N 303.435 3.426 0 40 DGAB CC(C)(C)OC(=O)N1Cc2cc(Br)ccc2[C@@H]1O 575419744 JWFRDPIAIRJCMC-NSHDSACASA-N 314.179 3.191 0 40 DGAB O=C(Nc1n[nH]cc1-c1ccc(Cl)cc1)C1CCSCC1 585124037 KENPRRJTBLTPCJ-UHFFFAOYSA-N 321.833 3.812 0 40 DGAB COc1ccc([C@@H]2C[C@H]3CN(Cc4ccccc4)C(=O)[C@H]32)cc1 585138339 GJMGLZTVVYGQTA-YTQUADARSA-N 307.393 3.457 0 40 DGAB Cc1cc(C)n(-c2cc(NCc3c(F)cccc3F)ncn2)n1 1888910608 BXRNCUGAFTWMIA-UHFFFAOYSA-N 315.327 3.169 0 40 DGAB CCN(CC)C(=O)CCSc1nnc(-c2ccc(C)cc2)o1 386094 XNCPDZPXLSVSRN-UHFFFAOYSA-N 319.430 3.396 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1cc(C)c(C)o1)[C@@H]2C 488263 BQBXDBKUCMVAKZ-LLVKDONJSA-N 315.369 3.370 0 40 DGAB biogenic COc1ccccc1-c1nnc2n1N=C(C(C)(C)C)CS2 525581 XFECOTAFQNDAHZ-UHFFFAOYSA-N 302.403 3.310 0 40 DGAB CCCc1nnc(SCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1CC 1355911 LSDBDZGCGMUZPS-STQMWFEESA-N 324.494 3.132 0 40 DGAB CCOc1ccc(C(C)=O)cc1Cn1c(=O)oc2ccccc21 2653745 AFQNFIUVHKWKGD-UHFFFAOYSA-N 311.337 3.244 0 40 DGAB CC[C@H](C)NC(=S)Nc1cnn(Cc2cccc(F)c2)c1 2793804 OPJMASVLQWILRL-NSHDSACASA-N 306.410 3.155 0 40 DGAB O=C(CSc1ncnc2ccccc12)NC1CCCCC1 3262536 MGQMLTWFUDSGLO-UHFFFAOYSA-N 301.415 3.171 0 40 DGAB Cc1ccsc1C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)cn1 3384181 FBPUHONPFNZFBF-VIFPVBQESA-N 324.789 3.289 0 40 DGAB COc1ccc(C(C)=O)cc1CSc1nnc2ccccn12 3505465 ZIBPMOOZDXMBCV-UHFFFAOYSA-N 313.382 3.233 0 40 DGAB COc1ccccc1C(=O)N1CCN(C2CCC(C)CC2)CC1 4745912 VNSPAGDXDAWZBG-UHFFFAOYSA-N 316.445 3.032 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 4806021 LGASZJKOZYSBIL-GRDNDAEWSA-N 317.429 3.347 0 40 DGAB CSCC[C@H](NC(=O)c1ccco1)c1nc2ccccc2[nH]1 4812810 FCZOSUGUQHGZSO-ZDUSSCGKSA-N 315.398 3.380 0 40 DGAB O=C(NC[C@@H]1COC2(CCCC2)O1)Nc1cccc(Cl)c1 4941416 NKQSARLMTFWSHZ-CYBMUJFWSA-N 310.781 3.147 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2c(-c4ccco4)nnc32)cc1 5205594 ALVIUNDMQWPSLJ-UHFFFAOYSA-N 316.324 3.032 0 40 DGAB CN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1ccccc1 5554631 QYLRXQUAXKMXQT-OAHLLOKOSA-N 309.296 3.107 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@]3(C)CC[C@@H]2C3(C)C)cc1 5707195 RXLBHJGTNPNLEM-ZMSDIMECSA-N 307.459 3.488 0 40 DGAB CN(CC(=O)NC1CCCCC1)Cc1nc2ccccc2s1 7689100 ZABKTUPRIKLTKT-UHFFFAOYSA-N 317.458 3.177 0 40 DGAB CCNC(=O)c1ccccc1NC(=O)/C=C/c1ccc(OC)cc1 8988373 OAXCMFSTEZQJLV-JLHYYAGUSA-N 324.380 3.097 0 40 DGAB Fc1cccc(-c2nnc3sc(C(F)(F)F)nn23)c1F 12321962 JJZCRMDHTMFZHH-UHFFFAOYSA-N 306.219 3.150 0 40 DGAB Cc1csc([C@H]2Cc3ccsc3[C@@H]([C@@H]3CCOC3)N2)n1 12337986 OWDBOTJLGJDBGX-JHJVBQTASA-N 306.456 3.478 0 40 DGAB O=C(NC1CC1)[C@H](c1ccc(F)cc1)N1CCc2ccccc2C1 12485870 ZPPYSHBECAJMRO-IBGZPJMESA-N 324.399 3.204 0 40 DGAB COc1ccc2oc(=O)c(-c3ccc(OCC(C)=O)cc3)cc2c1 12902458 PCCDPNRUYJIFJA-UHFFFAOYSA-N 324.332 3.436 0 40 DGAB biogenic Cc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006712 AGAXTCCCZUHQSL-UHFFFAOYSA-N 308.425 3.350 0 40 DGAB O=C(COc1cccc(Cl)c1)Nc1ccccc1C(=O)O 13166050 QCZZSTBPSZAAMG-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB CCOC(=O)c1c(-c2ccccc2)nc2ccc(Cl)nn12 15021297 SZFUCWJLBGKEGP-UHFFFAOYSA-N 301.733 3.226 0 40 DGAB C[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1Cl 15481821 ZFDUATMFNNQLMJ-LBPRGKRZSA-N 313.788 3.199 0 40 DGAB COC(=O)c1ccc(NC(=O)N2CCC[C@@H]2c2ccco2)cc1 15837970 GKMGCQSEEQFCDI-CQSZACIVSA-N 314.341 3.435 0 40 DGAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccccc2C)cc1 20453255 HEKIQMUVINERBX-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCC1 20482633 UCAGWWVZUSVSOA-GOSISDBHSA-N 318.461 3.063 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N[C@H]2CCCC[C@H]2C)c1C 21875443 PLSHSHYPRLZHOF-MFKMUULPSA-N 306.406 3.117 0 40 DGAB CC(C)(C)CC(=O)NCCc1cc(Cl)c2c(c1)OCCO2 22520257 FGMWSZGVHGZXSE-UHFFFAOYSA-N 311.809 3.206 0 40 DGAB Cc1noc(C)c1COc1ccc(C(=O)N[C@H](C)C2CC2)cc1 25591785 KAJDOOGIEVLDAK-LLVKDONJSA-N 314.385 3.399 0 40 DGAB COCc1ccccc1CNC(=O)NCCc1ccc(F)cc1 26145210 HHHVXRCHXOAMJV-UHFFFAOYSA-N 316.376 3.014 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Cl)c(Cl)c2)n(C)n1 29275423 YINUNOVRKLZFRI-UHFFFAOYSA-N 314.172 3.053 0 40 DGAB CCOc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3)C2=O)cc1 36635367 WIEPKZHNFXPDDU-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB Clc1ccc(OC[C@H]2CCCNC2)c(Br)c1 38580894 URPAQBWFFLNKOE-VIFPVBQESA-N 304.615 3.481 0 40 DGAB COC(=O)c1cc2c(=O)n([C@H]3CCCC[C@H]3C)ccc2nc1C 38784149 DTDOMISNAOSZDE-BZNIZROVSA-N 314.385 3.243 0 40 DGAB C[C@H](Cc1ccccc1Cl)NC(=O)c1cccnc1S 40111956 JNIPHJDSDIAXHS-SNVBAGLBSA-N 306.818 3.385 0 40 DGAB COc1ncccc1CNC(=O)N[C@H](c1cccs1)C(C)C 40145351 GILNMIYETWJNNF-AWEZNQCLSA-N 319.430 3.348 0 40 DGAB Cc1nn(CC(C)C)c(Cl)c1C(=O)N[C@@H](C)Cc1ccco1 40510234 CSGIXKODJPDTMP-NSHDSACASA-N 323.824 3.455 0 40 DGAB CC(C)(C)c1ccc(OCCCN2CCC[C@H]2C(=O)O)cc1 41533702 HDHOLOWAUGBDPO-INIZCTEOSA-N 305.418 3.302 0 40 DGAB O=S(=O)(Cc1cc(Cl)c2c(c1)OCO2)c1ccccc1 43850149 RAGNNBWQDJMRQR-UHFFFAOYSA-N 310.758 3.043 0 40 DGAB C[C@H](Cn1cccn1)NC(=O)c1ccccc1-c1ccccc1 48127521 ROIKGWKWLNQIBJ-OAHLLOKOSA-N 305.381 3.369 0 40 DGAB CC(C)C(=O)NCc1ccccc1CN1C[C@@H](C)C[C@H](C)C1 48344925 CMLZZHMCJVUBBQ-HOTGVXAUSA-N 302.462 3.437 0 40 DGAB CC[C@@H](C)NC(=O)c1nnn(-c2ccc(C)c(Cl)c2)c1C 51317761 BSWXAVXJNCIKLK-SNVBAGLBSA-N 306.797 3.066 0 40 DGAB O=c1[nH]c(CN2CCC[C@H]2c2cccc(F)c2)nc2ccccc12 53717854 IQWLOGBNHGNLNF-KRWDZBQOSA-N 323.371 3.399 0 40 DGAB CCOC(=O)Nc1ccc(NS(=O)(=O)c2ccccc2)cc1 55600479 RSPJUBPMWOQKQD-UHFFFAOYSA-N 320.370 3.056 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)CN1C[C@@H](C)C[C@@H](C)C1 55748995 SGECJZIECLHGFB-HZSPNIEDSA-N 321.465 3.203 0 40 DGAB Cc1cc(C(=O)N(C)CCc2ccncc2)c2ccc(F)cc2n1 58010266 GOPIVJABTZLDQI-UHFFFAOYSA-N 323.371 3.392 0 40 DGAB Cc1ccsc1CN(C)CC(=O)N1CCc2ccccc21 58016944 ULCVUWRYRXDPQC-UHFFFAOYSA-N 300.427 3.078 0 40 DGAB O=C(Nc1nccs1)C1CCN(CCc2cccs2)CC1 58185876 ZCOXBXWLRXYIGF-UHFFFAOYSA-N 321.471 3.098 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NC[C@H](C)Cn2nc(C)cc2C)C1(C)C 61656715 YSBIWLZOVAHALN-XKQJLSEDSA-N 317.477 3.491 0 40 DGAB Cc1cccc(C[S@@](=O)CCC(=O)NC2CCCCC2)c1 66297235 XQYUPZPRMLUXAQ-OAQYLSRUSA-N 307.459 3.083 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cccc(F)c2F)c(C)c1O 69416319 OESQFRSEAADMKS-UHFFFAOYSA-N 313.325 3.088 0 40 DGAB CN(Cc1nccn1C)C(=O)C(C)(C)c1ccccc1Cl 69532073 ZNDHWVBHQXBBSN-UHFFFAOYSA-N 305.809 3.010 0 40 DGAB C1CCCN(C[C@H]2CCCN(Cc3noc(C4CC4)n3)C2)CC1 69564345 AVLXMGXADUXDJO-OAHLLOKOSA-N 318.465 3.035 0 40 DGAB COc1ccc([C@@H]2CCCN2CC2CCOCC2)c(OC)c1 69664027 FPHDLHSIMLMWBN-KRWDZBQOSA-N 305.418 3.267 0 40 DGAB Cc1cc(OC(C)C)ccc1NC(=O)c1ccc2c(c1)nnn2C 69847875 HKRGYIPRFTVVDB-UHFFFAOYSA-N 324.384 3.316 0 40 DGAB CN(C(=O)c1cccc(-n2cccn2)c1)c1cc(F)ccc1F 70020218 IXAJEYBLXICCDZ-UHFFFAOYSA-N 313.307 3.427 0 40 DGAB O=C(/C=C/c1ccccc1)NCC1CCN(c2ccncc2)CC1 70928374 CBIGOLIRBRUUQG-VOTSOKGWSA-N 321.424 3.128 0 40 DGAB CC[C@H](c1ccccc1)c1nnc(NC(=O)[C@H]2CCOC2)s1 71883186 ANHVUNMVPXGZSP-QWHCGFSZSA-N 317.414 3.055 0 40 DGAB CN(C)CCN(Cc1ccccn1)C(=O)/C=C/C1CCCCC1 71910563 AHDPULCWCUQBDH-VAWYXSNFSA-N 315.461 3.108 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2nccnc2-c2ccccc2C)C1 72365830 XRMMKHFTGALYKF-INIZCTEOSA-N 309.413 3.253 0 40 DGAB CO[C@@H]1CCC[C@H](OC(=O)c2ccccc2-c2cncnc2)C1 76020672 ABXOHOVCEVNNJP-CABCVRRESA-N 312.369 3.258 0 40 DGAB Cc1cc(CCNC(=O)c2csc(-c3ccccc3)n2)on1 77122105 IDKJLEFSQJYQJU-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB Cc1cccc(-c2n[nH]c(=S)n2CCC(=O)NC(C)(C)C)c1 78427132 PHEQNWUASMHXOV-UHFFFAOYSA-N 318.446 3.221 0 40 DGAB C[C@](O)(CNC(=O)c1c(Cl)cccc1Cl)c1ccco1 81836997 IEPVEOWZGVSPHE-AWEZNQCLSA-N 314.168 3.224 0 40 DGAB COCCN(Cc1ccoc1)C(=O)c1nc2ccccc2s1 85474282 OAMKSGAYCHMSQZ-UHFFFAOYSA-N 316.382 3.178 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Nc1ccc(OCC(C)C)nc1 89870811 RMXLUEUUFXWPSZ-UHFFFAOYSA-N 303.366 3.100 0 40 DGAB CCc1noc(C)c1Cn1nc(C(F)(F)F)c2cnccc21 92917731 OSFILBJJSYZCES-UHFFFAOYSA-N 310.279 3.357 0 40 DGAB O=C(N[C@H](CCCO)c1ccccc1)N1CCC[C@@H]1C1CCC1 95400340 NOMUFKLFEIOYKF-QZTJIDSGSA-N 316.445 3.474 0 40 DGAB CC(C)(C)c1noc(CSCc2nnc(C3CCC3)o2)n1 95412887 ZZFZLYLNAAMICG-UHFFFAOYSA-N 308.407 3.451 0 40 DGAB COc1ccc2nc(C3CC3)cc(C(=O)Nc3cc[nH]n3)c2c1 95433588 MVMZLLVZSOSLJU-UHFFFAOYSA-N 308.341 3.096 0 40 DGAB COc1ccc(-c2nnc(NCc3nc(C)cs3)o2)cc1 95943634 YOWNUNMGNAJSDA-UHFFFAOYSA-N 302.359 3.122 0 40 DGAB Cc1ccc(F)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c1 95958231 CKAOUNFSNHNWBM-HNNXBMFYSA-N 301.317 3.080 0 40 DGAB Cc1cncc(NCc2cccc(OCCn3ccnc3)c2)c1 95972290 MVVYLIWQWVOCSV-UHFFFAOYSA-N 308.385 3.278 0 40 DGAB O=C(O)CN1CCC2(CCc3cc(-c4ccncc4)ccc32)CC1 96241736 GOJLUILIDWWOIU-UHFFFAOYSA-N 322.408 3.113 0 40 DGAB C[C@H](NC(=O)N1CC[C@H](Cc2ccccc2)C1)c1nccs1 96439967 IZEHDCAHQVZQES-DZGCQCFKSA-N 315.442 3.478 0 40 DGAB C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccsc1 97018499 SZFHSYONVCSVIQ-NSHDSACASA-N 303.383 3.208 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H](NCc2cncs2)C1 97095778 FFJLTUBFEBEPSM-NWDGAFQWSA-N 311.451 3.069 0 40 DGAB Cn1c(CNC(=O)Nc2cccc3ccccc23)nnc1C1CC1 97109091 ULEAKVNQIDPFIH-UHFFFAOYSA-N 321.384 3.167 0 40 DGAB COC(=O)[C@H](C)SCc1ccc(-n2nc(C)cc2C)cc1 97213104 PLPUNINTVFBALD-ZDUSSCGKSA-N 304.415 3.284 0 40 DGAB CC[C@H]1CN(C)c2ccccc2CN1C(=O)c1ccc(CN)cc1 97229024 PXNFICQFUHTLEC-SFHVURJKSA-N 323.440 3.016 0 40 DGAB CSc1cc(C(=O)NC(C)(C)CO)c(Cl)cc1Cl 97232877 JMCCKXVXBWLYMU-UHFFFAOYSA-N 308.230 3.216 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 104803279 JDFGTTCCVKMFBL-PLNCSYRRSA-N 300.402 3.200 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)Cc1ccc(-n2cccn2)cc1 105656909 WIQNOYAIUYGHGP-RVKKMQEKSA-N 311.429 3.356 0 40 DGAB CC[C@@]1(C)CN(C(=O)Nc2cccc(N(C)C)c2C)CCO1 190216459 PVEAUXRRBGGCTL-KRWDZBQOSA-N 305.422 3.094 0 40 DGAB COCCNC(=O)N1CCCC[C@@H](c2ccc(Cl)cc2)C1 206881905 OKNIKKQKRDTHMZ-CQSZACIVSA-N 310.825 3.266 0 40 DGAB CC(C)(C)C(=O)NCc1ccc([C@H](O)c2ccccc2)s1 207968621 LJOYEWCWPSKFMG-OAHLLOKOSA-N 303.427 3.492 0 40 DGAB CCc1ccc(CC(=O)NCCCN2CCC(C)CC2)cc1 223580616 SUHGMDZKKPMFCI-UHFFFAOYSA-N 302.462 3.030 0 40 DGAB COc1ccc(S(=O)(=O)N(C)Cc2ccccc2)c(C)c1C 224913037 BDUZLJRCZVQRRT-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB COc1ccccc1C[C@H](Oc1cc(C)cc(C)c1)C(=O)O 225096824 WEQBNCXWFGMJDJ-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CCc1nc(CN2C[C@@H](c3ccc(OC)cc3)C[C@H]2C)no1 245338721 OAHQNRCJGAQHCL-OCCSQVGLSA-N 301.390 3.019 0 40 DGAB CSCCN1C[C@@H](O)C[C@H]1c1ccc(C(F)(F)F)cc1 252485882 BIHHLAJTWWDWQH-STQMWFEESA-N 305.365 3.176 0 40 DGAB CNc1cncc([C@H]2CCCN2CC2=Cc3ccccc3OC2)n1 257259388 KYDRNHMCMRIKMR-QGZVFWFLSA-N 322.412 3.131 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 257319788 VUAQQADBRUPQAI-AWEZNQCLSA-N 303.381 3.116 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)N1CCc2ccccc2C1 409220805 GBHDCVNUMMTUKD-ZHACJKMWSA-N 323.392 3.302 0 40 DGAB Cc1ncc(Cl)c(C(=O)N2CCC[C@H](c3ccccc3)C2)n1 554154338 VAODWIUMISUXJA-AWEZNQCLSA-N 315.804 3.458 0 40 DGAB CC(C)(Cc1nc(-c2ccc3nn[nH]c3c2)no1)C(F)(F)F 581978823 IZDYNAYHWHZLBW-UHFFFAOYSA-N 311.267 3.139 0 40 DGAB CN(Cc1ccccc1)C[C@H](O)COc1ccc2c(c1)CCC2 584627789 BEWXWBOECIEVBY-IBGZPJMESA-N 311.425 3.047 0 40 DGAB CC(C)(CNC(=O)COc1ccccc1F)c1ccsc1 1565523876 ZMVSUMSBDNBMAI-UHFFFAOYSA-N 307.390 3.360 0 40 DGAB Clc1cnn(CC2CN(c3nc4ccccc4s3)C2)c1 1889151730 KZJGAKPNMDYODR-UHFFFAOYSA-N 304.806 3.283 0 40 DGAB C[C@H](C(=O)O)c1ccc(C2CN(C(=O)OC(C)(C)C)C2)cc1 2362803605 OTNGNAICLSXGHL-NSHDSACASA-N 305.374 3.209 0 40 DGAB COc1ccc(C(=O)CSc2nc(C)cc(C)n2)cc1OC 53389 AGYATMXAGXBWMF-UHFFFAOYSA-N 318.398 3.086 0 40 DGAB COCc1nnc(NC(=O)Cc2cccc3ccccc23)s1 149482 SYGFQGHATUCJHU-UHFFFAOYSA-N 313.382 3.019 0 40 DGAB COc1cccc(N2C(=O)N[C@@H]3C[C@]2(C)Oc2ccccc23)c1 422965 XLPXYYQWJCMIMP-QAPCUYQASA-N 310.353 3.465 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NC(=S)NC1CCCCC1 508727 GVZWNKPLPJTMCX-DHZHZOJOSA-N 306.406 3.162 0 40 DGAB CC(=O)O[C@H](COCc1ccccc1)Cn1cnc2ccccc21 787258 DYLRGPXVJPEDGV-KRWDZBQOSA-N 324.380 3.185 0 40 DGAB O=C(COC(=O)C1CCCC1)c1ccccc1Br 3242516 YEVIHIVKYHIRBB-UHFFFAOYSA-N 311.175 3.365 0 40 DGAB COc1cc(OC)c(C(=O)OCc2ccccc2F)cc1OC 3446144 QTPFFQGDCZSXJG-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB O=C1N/C(=C\c2ccccc2F)C(=O)N1Cc1ccc(F)cc1 3463904 OSUSCTVDSOXALT-DHDCSXOGSA-N 314.291 3.058 0 40 DGAB CC(C)COc1ccc(C(=O)OCC(=O)N[C@H](C)C(C)C)cc1 3563364 RUVNCLLZNLVQDG-CQSZACIVSA-N 321.417 3.039 0 40 DGAB CSc1nc2c(c(=O)n1CCc1ccccc1)S[C@H](C)C2 4265124 OYFBUHYOSJDLIE-LLVKDONJSA-N 318.467 3.245 0 40 DGAB CCC(CC)C(=O)N1CCC2(CC1)CC(=O)c1ccccc1O2 4505478 VEQHELASZAZPRP-UHFFFAOYSA-N 315.413 3.449 0 40 DGAB CC(C)n1cnnc1S[C@H](C)C(=O)Nc1ccc(F)cc1 5417294 FPHXRPXHEKUQJB-SNVBAGLBSA-N 308.382 3.117 0 40 DGAB O=C(O)Cc1csc(NC(=O)Nc2ccc(Cl)cc2)n1 5895632 CIQSIKFBFXROON-UHFFFAOYSA-N 311.750 3.068 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(s1)CCC2 6860009 JXGORPQECLIVAX-UHFFFAOYSA-N 301.367 3.260 0 40 DGAB O[C@@H](CN[C@@H]1CCCc2ccccc21)COCc1cccs1 6936606 ILAGAXNGVKOPJC-MAUKXSAKSA-N 317.454 3.293 0 40 DGAB COc1ccc(C(=O)OCc2nc(-c3cccs3)no2)cc1 7170751 ZNXARBNPVSZYQK-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB Cc1ccc(/C=C2\NC(=S)N(C3CCCCC3)C2=O)s1 7916093 CDXJEKAHSREWRG-LCYFTJDESA-N 306.456 3.447 0 40 DGAB CCCN(CCC)S(=O)(=O)c1cc(Cl)c(C)cc1OC 9061915 GJZXPHAXLHQQFS-UHFFFAOYSA-N 319.854 3.468 0 40 DGAB O=C(c1cc(O)nc2ccccc12)N1CCc2sccc2C1 10885561 AIOFSLDCPSCIBV-UHFFFAOYSA-N 310.378 3.200 0 40 DGAB O=C(Nc1ccc2c(c1)CCCN2C(=O)c1cccnc1)C1CC1 11999051 QMIFSGBWTAUDEG-UHFFFAOYSA-N 321.380 3.023 0 40 DGAB COC(=O)c1cccc(NC(=O)CCOc2ccccc2F)c1 12569128 YIINVEJVOFCGPP-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB O=C(Nc1cccc2c(O)cccc12)[C@H]1CC=CC[C@H]1C(=O)O 12767525 DVJFMQJNMPVCAA-UONOGXRCSA-N 311.337 3.151 0 40 DGAB Cc1ccccc1NC(=O)CCN1C(=O)[C@@H](C)Oc2ccccc21 12998031 VYPWQVRQXANTSJ-CQSZACIVSA-N 324.380 3.138 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1cccc(C(=O)OC)c1 14787839 ZSTQLJOHILJDKR-MRXNPFEDSA-N 313.353 3.269 0 40 DGAB CC(=O)Nc1ccc(C(C)=O)cc1OCc1cccc(C#N)c1 15517213 SRKFUYANGYYDHS-UHFFFAOYSA-N 308.337 3.298 0 40 DGAB O=C(c1cccc(F)c1)N1CCC(c2cc3nccnc3[nH]2)CC1 19293518 JOAZNOOZCKGXOF-UHFFFAOYSA-N 324.359 3.117 0 40 DGAB CN1CCCC[C@@H]2[C@H]1[C@@H](c1ccccc1)CCN2C(=O)C1CC1 19589122 NKLONKCUFFRJFJ-GUDVDZBRSA-N 312.457 3.265 0 40 DGAB Cc1cc(C)cc(NC(=O)c2cccc(CN3CCOCC3)c2)c1 20458067 CUIVJJGBURRZHR-UHFFFAOYSA-N 324.424 3.388 0 40 DGAB COc1ccc(Cl)cc1Cn1nnc(-c2ccccc2C)n1 21249451 LHSJRQZWOYUQEA-UHFFFAOYSA-N 314.776 3.359 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H]2Cc3cc(Cl)ccc3O2)c1 21587178 GUDDVGXUYCVZAD-INIZCTEOSA-N 315.756 3.485 0 40 DGAB C[C@H](Sc1ccc2c(c1)OCCCO2)C(=O)NC(C)(C)C 25718219 IYTGVQDBCWJPSK-NSHDSACASA-N 309.431 3.243 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2ccccc2Cl)c1 25822221 FLDOFGDNEVWJDF-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2O1)c1cccs1 28405225 MMCASJCFNKXJHF-AAEUAGOBSA-N 302.399 3.112 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(N3CCCC3)nc2)cc1 36404249 KJBNENDQOJIFMK-UHFFFAOYSA-N 311.385 3.333 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2C)C1=O 36635378 PGROIEJRMVQDLR-INIZCTEOSA-N 308.381 3.356 0 40 DGAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NC[C@@H]1CCCO1 38755269 NXYBSMNCYRABQD-ZWKOTPCHSA-N 313.397 3.292 0 40 DGAB O=C(CCc1csc(-c2ccccc2)n1)NCc1cccnc1 41191930 MJOGYUDGNPRONX-UHFFFAOYSA-N 323.421 3.454 0 40 DGAB Cc1ncsc1C(=O)N1CCC([C@@H](O)c2ccccc2)CC1 43286063 RCKLBMUYMXYYRK-HNNXBMFYSA-N 316.426 3.037 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)COC2CCCCC2)c1 44471319 QVGGBCDIDYABIM-UHFFFAOYSA-N 308.353 3.072 0 40 DGAB Clc1ccc(CN2CCC3(CC2)OCCO3)c2ncccc12 52533051 MCWOPFZSZAJVIN-UHFFFAOYSA-N 318.804 3.227 0 40 DGAB O=C(O[C@@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccoc1 54213993 OAUQAPBQUBSVTA-AWEZNQCLSA-N 317.732 3.123 0 40 DGAB CC(=O)N(C)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 55319201 YHUQYZNNCFNTOB-UHFFFAOYSA-N 303.381 3.407 0 40 DGAB Cc1nnc(NC(=O)N2CCC[C@H]2CCc2ccccc2)s1 56557208 RYBILSOOXTVGNQ-AWEZNQCLSA-N 316.430 3.476 0 40 DGAB c1coc(Cn2nnnc2SCc2ccc3ccccc3n2)c1 69743341 FOKNMGQYLYIIPA-UHFFFAOYSA-N 323.381 3.155 0 40 DGAB Cc1cc(=O)c(O)c(CN2CCC(Cc3ccccc3)CC2)o1 71281477 GMLIDJVAUOVLEC-UHFFFAOYSA-N 313.397 3.109 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1cccs1 71820813 WJLICJXJIMABGT-CYBMUJFWSA-N 315.394 3.383 0 40 DGAB c1ccc(CN2CC[C@@H](c3nc(-c4cccnc4)no3)C2)cc1 72389884 DYZBXRBNBWHJHW-MRXNPFEDSA-N 306.369 3.121 0 40 DGAB C[C@@H](CNC(=O)N(C)Cc1ccncc1)Sc1ccccc1 74822850 ZNMWYZPWSSWOAA-AWEZNQCLSA-N 315.442 3.404 0 40 DGAB CN(C)C(=O)c1ccc(Cl)cc1NCCOCC(F)(F)F 76062043 AHXWMESXEBGPJU-UHFFFAOYSA-N 324.730 3.033 0 40 DGAB Cc1cc(C(=O)N(CC(F)F)C2CC2)nn1-c1ccccc1 78610889 UPJLFKJUWYFHKV-UHFFFAOYSA-N 305.328 3.050 0 40 DGAB Cc1nc([C@@H](C)NC(=O)NCCOc2ccccc2C)cs1 78663508 BSGRECGWCJPDIJ-GFCCVEGCSA-N 319.430 3.199 0 40 DGAB COCC[C@H](C)NC(=O)[C@@H](C)c1ccc(Br)s1 79889703 UPJAYHPHICPOMW-IUCAKERBSA-N 320.252 3.155 0 40 DGAB O=C1CCCN1Cc1cccc(NCc2cccc3cn[nH]c23)c1 84016596 CLIDMKYYNCJJAN-UHFFFAOYSA-N 320.396 3.297 0 40 DGAB Cc1ncsc1CNC(=O)[C@H](C)CCOc1ccccc1 89565516 YUEKYMXLULNJEA-GFCCVEGCSA-N 304.415 3.173 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 89662525 JPWGSQYQGOGOLL-LLVKDONJSA-N 305.296 3.264 0 40 DGAB COc1cc(F)c(C(=O)N(CC(F)(F)F)C(C)C)cc1OC 89869549 YFZFGDRRDPXQNU-UHFFFAOYSA-N 323.286 3.256 0 40 DGAB CC1CCN([C@H](CNCC2=CCCOC2)c2cccs2)CC1 89929956 CAFOQJJLZFQIPN-QGZVFWFLSA-N 320.502 3.457 0 40 DGAB Cc1noc([C@@H](C)SCc2nnc(-c3ccccc3)n2C)n1 91028669 TXSKAFFPGYWHFN-SNVBAGLBSA-N 315.402 3.168 0 40 DGAB C[C@H](c1nc(-c2cccnc2)no1)N1CCc2cc(F)ccc2C1 91898561 XMWIPWLJQNJALS-GFCCVEGCSA-N 324.359 3.390 0 40 DGAB O=C(C1=COCCC1)N(Cc1ccc(O)cc1)Cc1ccco1 95397908 QUBSYHZZVVCEGH-UHFFFAOYSA-N 313.353 3.208 0 40 DGAB CCOC(=O)C1(c2ccccc2)CCN(Cc2ccncc2)CC1 95401536 SILKOGXXCQPCBT-UHFFFAOYSA-N 324.424 3.179 0 40 DGAB CCOCCC1(C(=O)N2CCC[C@H](c3ncc[nH]3)C2)CCCC1 95418449 IZLFBVFWSUDGMX-HNNXBMFYSA-N 319.449 3.103 0 40 DGAB Cc1oc(-c2ccccc2)nc1CNC1(C(=O)O)CCCC1 95428035 IDIHJXGBXZQXLS-UHFFFAOYSA-N 300.358 3.137 0 40 DGAB Cn1ccnc1[C@@H]1CCCN1C(=O)CCc1ccc(Cl)s1 95456719 QDFSKVXVGQSPIK-LBPRGKRZSA-N 323.849 3.431 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H](C(N)=S)C[C@@H]1c1ccccc1 95748820 YPPICKOBKKEXLU-QWHCGFSZSA-N 306.431 3.271 0 40 DGAB COCCN(CCOC)c1ccc(Br)cc1Cl 95915819 WRPWVLQFQUWCKO-UHFFFAOYSA-N 322.630 3.202 0 40 DGAB COc1ccccc1NC(=O)c1ccc(-c2nc(C)n[nH]2)cc1 95961718 PZFFIUZIEOSIIS-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB COC1(CNC(=O)c2cc(C)oc2C)C2CC3CC(C2)CC1C3 96123834 ZCNDNCWPVWZKRP-UHFFFAOYSA-N 317.429 3.468 0 40 DGAB c1ccc(-c2nc([C@H]3COCCN3c3ncccn3)cs2)cc1 96220558 PUOCSNURJGCJDL-OAHLLOKOSA-N 324.409 3.178 0 40 DGAB CN(C)c1ccc(NC(=O)N2CCO[C@H]3CCC[C@@H]32)cc1Cl 96415946 ROJZGIOOGJLCDH-GJZGRUSLSA-N 323.824 3.191 0 40 DGAB COc1ccc([C@@H](CO)N(C)C(=O)c2ccccc2Cl)cc1 97046452 CLMMSLGZNSPGPV-MRXNPFEDSA-N 319.788 3.154 0 40 DGAB O=C(c1cc(Cl)cc2cccnc12)N1CCc2cnccc21 97084685 AQSDTSKXOVCVIK-UHFFFAOYSA-N 309.756 3.486 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)c1ccc2c(c1)CCO2 97097787 DPZUBOFKMMJYOD-LLVKDONJSA-N 313.401 3.118 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCCCC1)[C@H]2C(=O)O 102329380 HUDUFLMCJZOISQ-XOUADPBQSA-N 305.418 3.082 0 40 DGAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102971517 CAZNOBGEIPLBKJ-AAVRWANBSA-N 323.531 3.004 0 40 DGAB O=S(=O)(c1c(F)cccc1F)N1CCC[C@H]2CCCC[C@H]21 103781406 WYCMLKDHJCDEJW-BXUZGUMPSA-N 315.385 3.308 0 40 DGAB C[C@@H](NC[C@@]1(CCO)CCOC1)c1cc2ccccc2s1 188154827 AZANZNGVCDSIAA-CXAGYDPISA-N 305.443 3.341 0 40 DGAB Cc1ccc(CC(=O)NCCCN2CCCc3ccccc32)cc1 219275535 HUZHFHGBDWOGOF-UHFFFAOYSA-N 322.452 3.497 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)N[C@@H](C)CC 225525144 IXGAKHWIWZPOQC-RDJZCZTQSA-N 318.461 3.427 0 40 DGAB CCO[C@@](C)(CC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225650684 HAIOEFQNLZYURO-SFHVURJKSA-N 322.449 3.161 0 40 DGAB NC(=O)CCc1ccc(-c2ccc(Br)cc2F)o1 225688967 KROPVERVLLLPDM-UHFFFAOYSA-N 312.138 3.266 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)C1CCCCC1 226357028 QZOBYARRDATNET-CSKARUKUSA-N 303.358 3.312 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCN(C(=O)c2cc3ccccc3[nH]2)C1 257229074 FWPDMGWAJJFSEL-CQSZACIVSA-N 308.385 3.219 0 40 DGAB COc1cccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)c1 408714036 HBYOFPDIDDDTPO-UHFFFAOYSA-N 323.352 3.017 0 40 DGAB CC(C)OCc1nn(CC(F)(F)F)cc1Br 408716912 SPNFPZGFOMQRQW-UHFFFAOYSA-N 301.106 3.133 0 40 DGAB CO[C@@H]1C[C@@H](N(C)C(=O)Nc2cncc(Cl)c2C)C12CCC2 518914403 XLUFXCWBYPTDOP-ZIAGYGMSSA-N 323.824 3.465 0 40 DGAB COC(=O)c1c(F)ccc(C(F)(F)F)c1Br 575712763 PVZVIHCUXKVVFI-UHFFFAOYSA-N 301.033 3.394 0 40 DGAB Cc1cc(C)c2oc(=NCCc3cnc(C4CC4)nc3)[nH]c2c1 577823829 WLCFVXBYXGAOTO-UHFFFAOYSA-N 308.385 3.189 0 40 DGAB Cc1cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)nc(C)n1 1775971777 UTNXIPGFEYXWGU-UHFFFAOYSA-N 319.412 3.382 0 40 DGAB CCc1cc(N2CCC(COc3ccnc(C)c3)CC2)ncn1 1775995443 WJXFAUFRGOCREY-UHFFFAOYSA-N 312.417 3.038 0 40 DGAB COc1cc(-c2[nH]c(C=O)nc2Br)ccc1Cl 1857794877 PVKVIJWIKSICFQ-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB CCc1cnc(OC2CCN(Cc3ccc(C)s3)CC2)nc1 1888850275 IDDXEOOTHJXXOE-UHFFFAOYSA-N 317.458 3.452 0 40 DGAB Cc1cc(C)c(N2C=[N+]([C@H](CO)c3ccccc3)CC2)c(C)c1 1911936409 QVHCTAZFQMHOBE-LJQANCHMSA-N 309.433 3.206 0 40 DGAB Cc1cnc(N2CCN(c3cccc4sccc34)CC2)nc1 2298066453 VVLNXVREHBXVEF-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc3n2CCCCC3)cc1 93159 BZEDJSGOTQTGSQ-UHFFFAOYSA-N 316.430 3.044 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(Cl)cc1 131832 VMGLASQXWGMERX-UHFFFAOYSA-N 317.772 3.455 0 40 DGAB COc1ccccc1NC(=O)C(=O)c1c[nH]c2ccc(F)cc12 12371768 CDNHCADRPATBNQ-UHFFFAOYSA-N 312.300 3.137 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)c1ccc(-c2cnco2)cc1 71040829 JCBHKVXXMRQBRM-INIZCTEOSA-N 314.385 3.229 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(C3CC3)n2C)c1C 411079 XHSDERUPTIOWRI-UHFFFAOYSA-N 316.430 3.040 0 40 DGAB COc1ccc(NC2=NCC(=O)N2c2cc(C)ccc2C)cc1 1360510 ZBNHJAAQGXQFKZ-UHFFFAOYSA-N 309.369 3.127 0 40 DGAB O=C1c2ccccc2C[C@@H]1Sc1nnc(-c2cccnc2)o1 1378754 YZEIAXQZJXYNKE-ZDUSSCGKSA-N 309.350 3.031 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(C)c([N+](=O)[O-])c2)C1=O 6656924 SYQAFZMTODLOFC-XYOKQWHBSA-N 306.343 3.350 0 40 DGAB COc1ccc(OC)c(-c2csc(NC(=O)C3CC3)n2)c1 4200619 KESMJTVNAIEEKW-UHFFFAOYSA-N 304.371 3.176 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)cc2F)c(C)c1 43142647 BLEYMLMXOQKOJH-INIZCTEOSA-N 320.339 3.437 0 40 DGAB O=C(NC1CCCCCC1)c1cn(-c2ccc(Cl)cc2)nn1 24842806 NUJYLDRHWOUGAJ-UHFFFAOYSA-N 318.808 3.373 0 40 DGAB O=C(/C=C/c1ccccn1)Nc1ccccc1CN1CCCC1 55343782 GCEDPWWAJIKWGK-ZHACJKMWSA-N 307.397 3.329 0 40 DGAB CCCCCC[C@@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24928016 UVKZERHATWUOCS-GFCCVEGCSA-N 316.401 3.001 0 40 DGAB Nc1ccccc1-c1nn(CC(=O)c2ccccc2)c(=S)o1 8435937 LQQDCFZSRONEDN-UHFFFAOYSA-N 311.366 3.338 0 40 DGAB O=C(C1=NO[C@H](c2ccccc2)C1)N1CCC[C@@H]1c1ccc[nH]1 84525301 IXAOTZUEGVCWFQ-SJORKVTESA-N 309.369 3.196 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@@H]1C[C@H]1c1cccc(F)c1 95956161 WRHNODMTAJTULW-JKSUJKDBSA-N 302.349 3.035 0 40 DGAB CCOCCO[C@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 57421336 WUYWCDMYVQEDOC-LSDHHAIUSA-N 315.413 3.459 0 40 DGAB Cc1cc(CN2CCN(Cc3ccc(F)cc3Cl)CC2)no1 58065267 HKDWNRZDYXISRD-UHFFFAOYSA-N 323.799 3.093 0 40 DGAB COc1ccc([C@H](NC(=O)CN2CCC[C@H](C)C2)C(C)C)cc1 10051461 KLLWBTBMNOYGII-HNAYVOBHSA-N 318.461 3.240 0 40 DGAB FC(F)n1c(CSc2nnnn2C2CC2)nc2ccccc21 12629892 OMHGULZDRGJPHF-UHFFFAOYSA-N 322.344 3.045 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@@H](c2ccccc2)N(C)C)c1C 25380612 XCMCMHSGOXXFDT-INIZCTEOSA-N 300.402 3.238 0 40 DGAB Cc1nonc1NC(=O)[C@H](C)Oc1ccc(Cl)cc1Cl 27793440 YUYXHDKPXVQYHY-ZETCQYMHSA-N 316.144 3.091 0 40 DGAB CC(C)(C)c1nc(NCCO)c2c3c(sc2n1)CCCC3 2297664 BSVCBOCCSPZFRW-UHFFFAOYSA-N 305.447 3.272 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)C1(c2ccccc2)CC1 3332112 QXVPCNMWDHZJEE-MRXNPFEDSA-N 323.392 3.017 0 40 DGAB CN(C(=O)COC(=O)/C=C/c1cccc(F)c1)C1CCCCC1 3342217 HMJWKUOPPPOFBH-ZHACJKMWSA-N 319.376 3.173 0 40 DGAB Cc1cc(S(=O)(=O)NC(C)(C)C)c(C)cc1Br 11566465 XELBMKIVGFZOLZ-UHFFFAOYSA-N 320.252 3.143 0 40 DGAB Cc1cccc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1C 11915507 QDFNLGRYWWSTSM-NSHDSACASA-N 314.385 3.434 0 40 DGAB O=C(NCCc1nc2cc(F)ccc2s1)Nc1ccccn1 84613268 WYWPIPWYJZTGDZ-UHFFFAOYSA-N 316.361 3.195 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@H]1c1ccsc1 46912795 FRQYIJRVMFSSOB-BBRMVZONSA-N 315.394 3.252 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)c(N)c2)cc1 3451456 YGKQKMWGVOGBAJ-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB COc1ccc(CC(=O)NCCOc2ccc(Cl)cc2)cc1 21904459 JLTRFEIXUDGSFH-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(Cl)cc2)cc1 3512297 QHKPDFHTLIBEOM-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(C)CCCCCCNC(=O)c1ccc2c(c1)OCC(=O)N2 12901687 TYFSFSWJIYJLAO-UHFFFAOYSA-N 318.417 3.354 0 40 DGAB O=c1oc2ccccc2n1Cc1ccc(Br)cc1 13004544 UXXJKYJPVMHYGT-UHFFFAOYSA-N 304.143 3.405 0 40 DGAB CC(C)[C@H](NC(=O)CCc1nc[nH]n1)c1ccc(Cl)cc1F 96006322 YGLKUGBFYRKLSV-HNNXBMFYSA-N 324.787 3.043 0 40 DGAB CCCCCCC(=O)Nc1cc(C(=O)OC)cc(C(=O)OC)c1 4156005 FNWUNESTZSYTSL-UHFFFAOYSA-N 321.373 3.169 0 40 DGAB O=C(O)CS[C@H]1c2ccccc2C(=O)N1Cc1cccs1 4108793 RYYSBQYTDNNEGK-HNNXBMFYSA-N 319.407 3.221 0 40 DGAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)c1ccc2c(c1)CCC2 6082170 ATFQHLULDNQJDS-ZDUSSCGKSA-N 324.376 3.096 0 40 DGAB Cc1ccc(C)c(Nc2nnc(Cc3ccccc3)c(=O)[nH]2)c1 5154396 KQIMEBRFFMDKKN-UHFFFAOYSA-N 306.369 3.116 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)cc1 67208121 PIJGQRKIVFXPSW-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB COc1ccc([C@@H](O)CN2CC[C@H](c3ccccc3)C2)cc1F 71844049 IJEUTHAGWVIKGR-WMZOPIPTSA-N 315.388 3.357 0 40 DGAB CCSc1ccc(C(=O)N2CCCN(C(C)(C)C)CC2)cn1 68764325 JKMHROGJCODROS-UHFFFAOYSA-N 321.490 3.140 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 71893546 OWWUKJSVEPRJOJ-NRFANRHFSA-N 305.374 3.134 0 40 DGAB Cc1cnc(CCNC(=O)N(Cc2ccccc2)C2CC2)s1 74618318 YXWFRLUZBBHXAK-UHFFFAOYSA-N 315.442 3.368 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCC3=O)cc1 91366127 IWMLFWGTSKHTHR-UHFFFAOYSA-N 315.394 3.315 0 40 DGAB C[C@H](N)[C@H]1CCCN(C(=O)c2cccc(Cl)c2Cl)C1 70172433 XNKISXBVEYUJOE-UWVGGRQHSA-N 301.217 3.193 0 40 DGAB c1ccc2cc(OCCN3CCc4cncnc4C3)ccc2c1 69493081 NRGOTZKUIUBHIJ-UHFFFAOYSA-N 305.381 3.067 0 40 DGAB CCCSCC(=O)NCCc1coc(-c2ccc(C)cc2)n1 69416828 LXDIMSCEJBPMIL-UHFFFAOYSA-N 318.442 3.452 0 40 DGAB COc1c(C)cc(CN(C)C(=O)NCc2ccccn2)cc1C 69571612 DKTNEABHUYTFAE-UHFFFAOYSA-N 313.401 3.049 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccnn2C2CCCC2)s1 69533202 IWMUMDROWHQJGP-UHFFFAOYSA-N 319.386 3.099 0 40 DGAB COc1ccc(CNC(=O)N[C@H](c2ccccc2)C(C)C)cn1 9736622 BDZMEVKIDWRTOW-KRWDZBQOSA-N 313.401 3.287 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)CCCc2cccs2)C1 69920094 YTTZYHUIXBROTM-HNNXBMFYSA-N 317.458 3.439 0 40 DGAB COc1ccc(OC)c(NC(=O)/C=C/c2nc3ccccc3o2)c1 8745659 JLZXYSYPFAZDPQ-MDZDMXLPSA-N 324.336 3.497 0 40 DGAB COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1F 8718973 GRLWRGRHECURAA-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB Cc1noc(C)c1CNc1nnc(Cc2ccccc2F)o1 97045528 ATQLBPLYMHQSEQ-UHFFFAOYSA-N 302.309 3.016 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)Cc2c(C)noc2C)n1 72232469 DNBCTIADIJTPHP-CQSZACIVSA-N 319.430 3.353 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@@H]1O 72292019 NDIBIGAGZBSNOK-ONGXEEELSA-N 300.811 3.097 0 40 DGAB C[C@@H](NC(=O)Nc1cccc2cccnc12)C1CCN(C)CC1 72285583 KYVVIVIEOFNDJR-CYBMUJFWSA-N 312.417 3.087 0 40 DGAB CCN(C[C@H]1CCN(c2cccc(C)n2)C1)CC(F)(F)F 97163348 AXXHAOQKZDIJHB-CYBMUJFWSA-N 301.356 3.101 0 40 DGAB CCc1noc(C)c1C(=O)N1CCc2[nH]c3ccccc3c2C1 9902391 QBBTWFNOGGWCEO-UHFFFAOYSA-N 309.369 3.225 0 40 DGAB CO[C@@H](CNC(=O)CCc1ccccn1)c1cccc(Cl)c1 76067396 XQZUXUJZBPMJTR-INIZCTEOSA-N 318.804 3.172 0 40 DGAB CN(Cc1cscn1)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12 76082829 ATVVFMYZAOPTCU-FUHWJXTLSA-N 312.438 3.396 0 40 DGAB CC(C)c1nc(CNc2ccc3c(c2)S(=O)(=O)CC3)cs1 178026840 UISZBCFMVUYGLL-UHFFFAOYSA-N 322.455 3.208 0 40 DGAB CCOc1ccc(-c2nnc(Nc3cnn(C)c3C)s2)cc1 28244455 BTDWZXXTWBKQQM-UHFFFAOYSA-N 315.402 3.389 0 40 DGAB Cc1ccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)cc1 71977855 CJJDAKFYYJWINJ-UHFFFAOYSA-N 305.337 3.430 0 40 DGAB COC(=O)c1cccc(NC(=S)NC2CCCCC2)c1C 408549232 REHDSUWTNSNXPV-UHFFFAOYSA-N 306.431 3.401 0 40 DGAB Cc1ccc(Oc2cccc(C(=O)Nc3nccs3)c2)nn1 56906650 HDQPMVPODNBYGO-UHFFFAOYSA-N 312.354 3.286 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)c(N)c1 70462905 NBGRICADMILMBO-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB CC(=O)N(c1nc(/C=C(\C)c2cnccn2)cs1)C1CC1 187650277 VBRFCOGQWCNVOY-JXMROGBWSA-N 300.387 3.009 0 40 DGAB Cc1cc(Cn2cnc3ccccc3c2=O)c2ccccc2n1 73969249 WZMMBLDZBPDQJK-UHFFFAOYSA-N 301.349 3.301 0 40 DGAB CCC[C@H](C)NC(=O)CCc1nc(-c2ccc(F)cc2)no1 72841067 OIRHHPIHQJVIQV-NSHDSACASA-N 305.353 3.113 0 40 DGAB O=S(=O)(Nc1ccc(F)c(Cl)c1)c1ccc(F)s1 225388266 OUDHEIHPCJGVIB-UHFFFAOYSA-N 309.746 3.481 0 40 DGAB Cc1cc(C)c(CNC(=O)N[C@H]2CCc3ccc(F)cc32)cn1 565817006 CXAQOYMYMGKSCX-KRWDZBQOSA-N 313.376 3.324 0 40 DGAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OC)c1 225799396 NDKFOSUTPLDVRC-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB CC(C)(C)c1cnc(CN2CCC(=O)Nc3cc(F)ccc32)o1 81603950 JLYQDAKQMMBPFI-UHFFFAOYSA-N 317.364 3.460 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CC(C)C)[nH]1 222943208 RRCZODSZHBSMCE-JKSUJKDBSA-N 314.458 3.347 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3ccccc3C(F)(F)F)=NN[C@H]2C1 228924569 ZJDLHPOKCHFHHP-AAEUAGOBSA-N 310.319 3.387 0 40 DGAB CCCCCCNC(=O)C(=O)Nc1ccc(F)c(Cl)c1 42645873 SLFRCNXSETXVNS-UHFFFAOYSA-N 300.761 3.114 0 40 DGAB CC[C@H](C)NC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227166980 AIOWDISQNUQDHV-ZDUSSCGKSA-N 303.381 3.384 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc[nH]1 222949725 KOAPBBMQXRAPBF-GJZGRUSLSA-N 300.431 3.182 0 40 DGAB Clc1cccc(-c2n[nH]cc2I)c1 82565096 CDSJFFFKPZZUAH-UHFFFAOYSA-N 304.518 3.335 0 40 DGAB CC[C@H](C(=O)Nc1c(C)nc(N(C)C)nc1C)c1ccccc1 224294593 XDCGKUGUPCNHGA-HNNXBMFYSA-N 312.417 3.292 0 40 DGAB FC(F)(F)c1nnc(SCCO[C@@H]2CCCCO2)s1 193445138 YIBDSTKYKSQSFW-SSDOTTSWSA-N 314.354 3.192 0 40 DGAB CCC(=O)N[C@@H](C)c1nc(-c2ccc(Br)cc2)c[nH]1 195577497 KKNSBWXMUPJOAO-VIFPVBQESA-N 322.206 3.426 0 40 DGAB CC(C)(C)[C@H](Cn1ccnc1)NC(=O)c1scnc1C1CC1 195546683 CPYYQNFVOZOVDL-LBPRGKRZSA-N 318.446 3.062 0 40 DGAB Cn1cccc1[C@@H]1CCCCN1C(=O)[C@@H]1COc2ccccc21 96445067 LUBUQENPGSGFQS-WBVHZDCISA-N 310.397 3.255 0 40 DGAB CC(=O)N1CC[C@@H](OCc2ccncc2)[C@@H](Cc2ccccc2)C1 96110315 VYDFWUKGVWGEOM-VQTJNVASSA-N 324.424 3.078 0 40 DGAB c1cncc(CN2CCCC23CCN(Cc2ccco2)CC3)c1 96049309 UBJOZBGPLMMVBQ-UHFFFAOYSA-N 311.429 3.305 0 40 DGAB O=C(Cn1c(C2CC2)nc2ccccc21)N1C[C@H]2CC=CC[C@@H]2C1 96423503 BOIRIVOOXAGNMR-HZPDHXFCSA-N 321.424 3.338 0 40 DGAB COc1cc(-c2noc(C(F)=C(C)C)n2)cc(OC)c1OC 96487614 RHPUVZGCZNHATO-UHFFFAOYSA-N 308.309 3.483 0 40 DGAB CSC[C@@H](C)C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 96443831 KUSBKDFDWZSAPN-CHWSQXEVSA-N 315.442 3.320 0 40 DGAB Cc1cc(C)n(CCCN[C@@H](C)c2ccc3c(c2)OCCO3)n1 96476363 HFOALUBKFHVEDY-HNNXBMFYSA-N 315.417 3.012 0 40 DGAB O=C(Nc1ccccc1F)N1CCCC[C@@H]1Cn1cccn1 584907864 QDGBRSNDSVEEKQ-CYBMUJFWSA-N 302.353 3.109 0 40 DGAB Cc1ncc(/C=C/C(=O)O[C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)s1 245305049 HUXBWKPXEWNNPG-RNMDYQGISA-N 307.415 3.212 0 40 DGAB O=C(c1ccc(-c2cncs2)nc1)N1CCc2ccccc2C1 257312471 UOCBTZSTJXVRDB-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)COc3ccccc3)C2)s1 257241576 HYPBXAOYNSOKJB-AWEZNQCLSA-N 316.426 3.237 0 40 DGAB COCCC(C)(C)C(=O)N[C@@H]1C[C@H]1c1cc(F)c(F)c(F)c1 281094816 QHPIXYIAXPUVQZ-GXFFZTMASA-N 315.335 3.139 0 40 DGAB C[C@H](NC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1cccs1 43419180 LFDCDAXLCZWNIE-JTQLQIEISA-N 324.427 3.034 0 40 DGAB O=C(Nc1ccccc1-n1cccn1)C1=Cc2ccccc2OC1 40133798 BFNTVXJKZOZVCA-UHFFFAOYSA-N 317.348 3.287 0 40 DGAB CCOc1ccc(CN(C)C(=O)c2scnc2C)cc1OC 40530077 MHSRSJZLVSUTBE-UHFFFAOYSA-N 320.414 3.131 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCc2cn[nH]c2C1)c1ccccc1Cl 79292258 RNVWQCKUVCZZPT-MNOVXSKESA-N 303.793 3.045 0 40 DGAB CCN(C(=O)/C=C/c1ccc2c(c1)CCO2)c1ccc(OC)nc1 58850143 UVTFYSLRUUFEPX-WEVVVXLNSA-N 324.380 3.091 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCC[C@@H]1NCC1=CCCOC1 89662590 MBCLZKVYUYOARF-CVEARBPZSA-N 324.465 3.006 0 40 DGAB COc1cccc(NC(=S)NC(=O)/C=C/c2cccs2)c1 267093 FHHVPEMYFFWCMV-BQYQJAHWSA-N 318.423 3.283 0 40 DGAB CCn1c([C@@H](NC(=O)c2ccc(C)cc2)C(C)C)n[nH]c1=S 5445074 AQIXONUALVHLDO-ZDUSSCGKSA-N 318.446 3.396 0 40 DGAB CN=[S@](=O)(c1ccccc1)[C@]1(C)CC(C)=C(C)C[S@]1=O 5662696 MAVIGTCNEJVHOW-XPGWFJOJSA-N 311.472 3.348 0 40 DGAB C[C@@H](Sc1nnc(-c2ccco2)n1C1CCCCC1)C(N)=O 5866731 BAYLKAMUBVOCNN-SNVBAGLBSA-N 320.418 3.009 0 40 DGAB CC1(C)C[C@H]2C[C@](C)(CN2c2nc(Cl)nc3[nH]cnc23)C1 13548620 HIOBQTUVKFDNTH-VFZGTOFNSA-N 305.813 3.411 0 40 DGAB CCOc1ccc(CNC(=O)/C=C/c2ccccc2OC)cc1 13672648 YXEPVFAXMOHOTM-JLHYYAGUSA-N 311.381 3.424 0 40 DGAB CCc1nc(C)cn1S(=O)(=O)c1ccc(Cl)cc1Cl 16780341 QFJXHQYDWHORQI-UHFFFAOYSA-N 319.213 3.298 0 40 DGAB O=C1S/C(=C/c2ccc(Cl)cc2)C(=O)N1CN1CCCC1 19202212 GAGQZDICCAUMDW-UKTHLTGXSA-N 322.817 3.430 0 40 DGAB C[C@H](Cn1ccnc1)NCc1ccc(F)c(C(F)(F)F)c1 163428977 RHWGKPTUCIGSIX-SNVBAGLBSA-N 301.287 3.219 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)cc1 18048092 CTGSQMVIYMHBSF-AWEZNQCLSA-N 321.380 3.372 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CC(N2C[C@H]3CCC[C@H]3C2)C1 1888869546 SKVVROIXUSZEIR-TXEJJXNPSA-N 322.811 3.035 0 40 DGAB CCc1ccc2nc(N3CCC4(CC3)OCCO4)sc2c1 1888941763 TZGGUUVOVUCOSR-UHFFFAOYSA-N 304.415 3.202 0 40 DGAB CCc1cccc(N2C(=O)N(C)c3ccccc3S2(=O)=O)c1 1888986379 GKNYPXLEZQQFEQ-UHFFFAOYSA-N 316.382 3.014 0 40 DGAB CC(=O)N1CCc2ccc(NC(=O)Cc3cccc(C)c3)cc2C1 9034956 SRFZZVDELUURBS-UHFFFAOYSA-N 322.408 3.081 0 40 DGAB O=C(NC[C@@](O)(c1ccoc1)c1cccs1)c1ccsc1 244950833 FNODIYAEBYBCKX-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB NC(=O)[C@@H](c1ccccc1)C1CCN(Cc2ccccc2)CC1 3651570 YNMFHXLHFPQXQL-IBGZPJMESA-N 308.425 3.168 0 40 DGAB O=C(O)c1ccc(C2CCN(C(=O)c3ccccc3)CC2)cc1 82169922 VSGQBGSCXJKAOD-UHFFFAOYSA-N 309.365 3.405 0 40 DGAB CCCc1nc(CN2CCN(c3ccccc3)CC2)cs1 40050129 FSZRYMDMSVMSNF-UHFFFAOYSA-N 301.459 3.418 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)CC(C)(C)C)cn2)C[C@H](C)O1 40142640 KIELYLKTRPUEOH-STQMWFEESA-N 305.422 3.070 0 40 DGAB O=C(c1cc(-c2cccs2)[nH]n1)N1CCc2ccccc2C1 51315805 FCOVDJFJPYKORP-UHFFFAOYSA-N 309.394 3.337 0 40 DGAB CCOC(=O)c1cnc2c(Br)cc(F)cc2c1O 103289154 LDYLHGNNVQTHQH-UHFFFAOYSA-N 314.110 3.019 0 40 DGAB C[C@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccccc1 483408 DAIGQSGMXDLIHE-LBPRGKRZSA-N 305.374 3.356 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1cccc(CN(C)C)c1 33084734 CQJOBEQFAVNWEM-UHFFFAOYSA-N 315.417 3.098 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2sccc2C)n1 41408950 UVCZBPIBMXFUMP-NSHDSACASA-N 320.462 3.005 0 40 DGAB CC1CCN(S(=O)(=O)c2c(Cl)cccc2Cl)CC1 74522 VKZGZXSBGPRVQI-UHFFFAOYSA-N 308.230 3.414 0 40 DGAB NC(=S)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 1385685 NCUZCOHFHGQIHH-UHFFFAOYSA-N 305.712 3.179 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCS[C@H]2c2ccco2)cc1 2647514 GWRPTKWYAPUAGZ-AWEZNQCLSA-N 309.412 3.024 0 40 DGAB Cc1cccn2cc(CCNC(=O)CCCc3ccccc3)nc12 2960988 UVCQOWUNNOEZMQ-UHFFFAOYSA-N 321.424 3.324 0 40 DGAB CCOC(=O)C(=CNc1ccc2ccccc2c1)C(=O)OCC 3096018 XVVCXZVQLDZION-UHFFFAOYSA-N 313.353 3.262 0 40 DGAB O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1 3331875 DRNIFUNFMRSMCF-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB CC(=O)c1ccccc1OCCOC(=O)c1cccc(C)c1O 3447520 CEMONQXCEHDZLS-UHFFFAOYSA-N 314.337 3.139 0 40 DGAB CC(C)Cn1c(SCC(=O)NC(C)C)nc2ccccc21 3498613 NGWFCPKSXHIPOO-UHFFFAOYSA-N 305.447 3.309 0 40 DGAB CC(C)[C@@H](C)NC(=O)COC(=O)c1c(Cl)cccc1Cl 3529721 DZZWSMHDZWMZJH-SECBINFHSA-N 318.200 3.311 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCCCCC1 3613273 ZMARPRNSLSETEX-LBPRGKRZSA-N 322.836 3.297 0 40 DGAB Fc1ccc(C2=Nn3c(Cc4ccccc4)nnc3SC2)cc1 4144450 YLDLLMKSDOSXMN-UHFFFAOYSA-N 324.384 3.366 0 40 DGAB O=C(O)c1ccc(CSc2ncn(-c3ccccc3)n2)cc1 4777922 RWTOSAHOYJUGSF-UHFFFAOYSA-N 311.366 3.258 0 40 DGAB Clc1nc(N2CCOCC2)c2c3c(sc2n1)CCCC3 5376064 GBMHXGRFABUBPP-UHFFFAOYSA-N 309.822 3.060 0 40 DGAB O=C(CCc1nc(-c2ccccc2F)no1)Nc1ccccc1 5561040 SMDJNZQFXHACIH-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccc(C(F)(F)F)cc1 7308287 UIFUSUJONXGTPC-UHFFFAOYSA-N 315.316 3.184 0 40 DGAB CCN1CCN(c2ncnc3sc4c(c23)CCCCC4)CC1 8394424 LARHQOJGWAYKJI-UHFFFAOYSA-N 316.474 3.102 0 40 DGAB CC(C)CCN1C(=O)CCc2cc(NC(=O)C3CC3)ccc21 9164729 BDICDEXCHWVCNC-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB O=C(CN1C(=O)S/C(=C/c2ccccn2)C1=O)c1ccccc1 9235011 JLSXFEGMKDKWEA-XNTDXEJSSA-N 324.361 3.001 0 40 DGAB COC(=O)CCNC(=O)c1oc2c(ccc3ccccc32)c1C 9499947 LUNKNDHDPNNIMC-UHFFFAOYSA-N 311.337 3.187 0 40 DGAB C[C@@H]1C[C@H](Sc2nc(NC3CC3)c3ccccc3n2)C(=O)O1 9739964 WRTFTNWUKZUECV-RNCFNFMXSA-N 315.398 3.000 0 40 DGAB COc1cccc([C@H]2CCCN2Cc2ccc(C(N)=O)cc2)c1 10228873 ITXBDYMDBXJUTJ-GOSISDBHSA-N 310.397 3.131 0 40 DGAB Cc1cccc(N2CCN(C(=O)c3ccc(F)c(F)c3)CC2)c1 12544160 WKCVZLMVYOCPHV-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)Nc2cc(F)cc(F)c2)no1 12857389 DSLSYXQMTFCARQ-HNNXBMFYSA-N 321.327 3.037 0 40 DGAB Cc1cc(C)cc(NC(=O)CCNC(=O)c2ccsc2)c1 12906004 YYTWMXPOJLNWOR-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB COc1ccc(CCNC(=O)c2cc(C)sc2C)cc1OC 12911804 VZOYVIUHZYXFMS-UHFFFAOYSA-N 319.426 3.355 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H](c2n[nH]c3ncccc23)C1 13266712 ZKXJHGRNGXKUHX-ZIAGYGMSSA-N 310.401 3.020 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)N1CCCc2ccccc21 14006522 JJTGAQFQTMTTIG-AWEZNQCLSA-N 311.381 3.442 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)C1CCCCCC1 14705149 XTPZEOBDXHUDOQ-UHFFFAOYSA-N 302.418 3.482 0 40 DGAB COc1ccccc1/C=C1\NC(=S)N(C2CCCCC2)C1=O 15011305 HJUCVTAJVTUDLW-KAMYIIQDSA-N 316.426 3.086 0 40 DGAB CCCSc1nc(=O)n(-c2cccc(OC)c2)c2c1CCC2 15840570 GTPZOHZOPKWLCA-UHFFFAOYSA-N 316.426 3.232 0 40 DGAB CC(C)C(=O)Nc1nnc(Cc2c[nH]c3ccccc23)s1 18118173 PMMLHUMBVRGZHH-UHFFFAOYSA-N 300.387 3.205 0 40 DGAB CN1CCN(C(=S)NC2CCCCC2)[C@H](c2ccccc2)C1 18165978 KMWFBJGMSJUHQE-KRWDZBQOSA-N 317.502 3.182 0 40 DGAB Cc1nc(C)n(CC(=O)Nc2ccc(-c3cccc(F)c3)cc2)n1 19285803 BECUTFPYLMKICL-UHFFFAOYSA-N 324.359 3.340 0 40 DGAB c1cncc(CN2CC[C@H](c3nc(-c4cccs4)no3)C2)c1 19338873 ZIMWQOHYIUIIGX-ZDUSSCGKSA-N 312.398 3.183 0 40 DGAB CCn1c(SCC(=O)N(C)c2ccccc2)nnc1C(C)C 20034474 RMOPUJMJVMEBIZ-UHFFFAOYSA-N 318.446 3.177 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1c[nH]c2ccccc2c1=O 22234056 LKMDMFVTXLLOLT-LBPRGKRZSA-N 322.364 3.028 0 40 DGAB CC[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)C 22515106 MIZAMTAXGMHMDR-CQSZACIVSA-N 314.882 3.279 0 40 DGAB CC[C@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 23016688 MYIRUEUAURHDCS-ZFWWWQNUSA-N 302.418 3.078 0 40 DGAB COCc1ccccc1CNC(=O)Cc1ccc(C)c(OC)c1 25306609 KTSOYVBUDBPBOA-UHFFFAOYSA-N 313.397 3.009 0 40 DGAB CCn1c(SCc2noc(C)n2)nnc1-c1cccs1 27444582 UMUAMCBQESSMQB-UHFFFAOYSA-N 307.404 3.010 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCCN1CCC(C)CC1 28066399 XYXWDVDYDNFPLZ-UHFFFAOYSA-N 324.852 3.200 0 40 DGAB CCOCc1ccccc1CNC(=O)c1cccc(N(C)C)c1 30179478 UXRZSDFYYZOHLP-UHFFFAOYSA-N 312.413 3.219 0 40 DGAB O=C(CCn1cncn1)Nc1ccc(SC2CCCC2)cc1 30182418 DFOVMOUWMVPDIE-UHFFFAOYSA-N 316.430 3.342 0 40 DGAB CCN(C(=O)CCCNC(=O)c1ccccc1)c1ccccc1 32714758 DUKNKUBJKKRKRZ-UHFFFAOYSA-N 310.397 3.250 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)OCc1ccccc1 34162757 DFBLOFPQNCBVTI-CQSZACIVSA-N 305.374 3.129 0 40 DGAB O=C(O)CCCCCCNC(=O)c1csc2c1CCCC2 37411262 NQJCKTPCCZADMG-UHFFFAOYSA-N 309.431 3.392 0 40 DGAB O=C1CCSc2ccc(C(=O)Nc3ccccc3O)cc2N1 40477473 YHFQDSWDJYVOEH-UHFFFAOYSA-N 314.366 3.079 0 40 DGAB CC(=O)NCCOc1ccc2cc(Br)ccc2c1 43275436 ZCSPLHSFNHZOGC-UHFFFAOYSA-N 308.175 3.117 0 40 DGAB COCc1ccccc1NC(=O)[C@@H]1Oc2ccccc2O[C@H]1C 44550710 YYTZGBHXMNTPBZ-YVEFUNNKSA-N 313.353 3.000 0 40 DGAB COc1cc(NC(=O)Nc2ccc3c(c2)OCO3)cc(OC)c1 51354457 YVRFEGSUYVCESF-UHFFFAOYSA-N 316.313 3.077 0 40 DGAB CC(=O)/N=c1\scc(-c2ccccc2)n1-c1cccc(O)c1 54235658 ZNKXLJYMMRWCFX-ZCXUNETKSA-N 310.378 3.359 0 40 DGAB CCC(=O)Nc1ccc(C)c(NCC(=O)N2CCC[C@@H](C)C2)c1 55848592 PUTWUFSHUJMCBY-CYBMUJFWSA-N 317.433 3.014 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)Nc1cc(C(C)(C)C)n[nH]1 58135628 LONDJLVOFFUBRV-UHFFFAOYSA-N 324.384 3.318 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)Nc2ccc(F)cc2F)C1 58162928 LCWIOFBRJIXJLN-LBPRGKRZSA-N 311.376 3.207 0 40 DGAB COc1ccc(Nc2n[nH]nc2C(=O)Nc2cccc(C)c2)cc1 64871288 QTPQKISMGOEUAC-UHFFFAOYSA-N 323.356 3.118 0 40 DGAB C[C@H]1CCCC[C@H]1OCCNCc1c[nH]nc1-c1cccnc1 65458828 IEULIWPVPQGWJI-WMLDXEAASA-N 314.433 3.157 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)CCc3cccs3)C2)c1 69415686 WEBRWACXVSRDJJ-CQSZACIVSA-N 303.431 3.049 0 40 DGAB O=C1C/C(=C/c2c[nH]c3ncccc23)C(=O)N1C1CCCCC1 71279099 FVIDYWXAUCHALE-XFXZXTDPSA-N 309.369 3.038 0 40 DGAB Cc1csc(-c2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)n1 71854018 IMRLRTUPBZXBCP-AWEZNQCLSA-N 317.414 3.419 0 40 DGAB C[C@@H](Nc1cccc(NC(=O)CO)c1)c1ccccc1Cl 71902722 QDDVIXLSIKNHNL-LLVKDONJSA-N 304.777 3.444 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)c2ccco2)c(OC)c1 71928311 ZOGGQZNTGUANDP-CQSZACIVSA-N 301.342 3.274 0 40 DGAB CC(C)n1ccc(CN2CCC[C@H]2c2noc(C3CC3)n2)n1 72300046 ONCHJDVKOCQEKH-AWEZNQCLSA-N 301.394 3.062 0 40 DGAB CCCN1CCN[C@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72352835 FJIQNSGLSFQUBT-LJQANCHMSA-N 308.425 3.107 0 40 DGAB C[C@H](CNC(=O)NCc1cccnc1)Sc1ccccc1 76066469 LYUGHYSJZALEMR-CYBMUJFWSA-N 301.415 3.062 0 40 DGAB CC(C)(C)c1nc(CNC[C@H]2CCCn3ccnc32)cs1 84284819 XVYWBWVPOOWFLP-GFCCVEGCSA-N 304.463 3.304 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1C[C@@H]1c1ccccc1F 84502235 AFVDQQJYFGYGKY-MNOVXSKESA-N 303.362 3.297 0 40 DGAB Cc1ccc([C@H](C)N(C)C(=O)CCOC2CCOCC2)s1 84583798 VAWIDEATIDYKLE-ZDUSSCGKSA-N 311.447 3.162 0 40 DGAB O=C(NCc1ccsc1)N1CCC[C@H]1C[C@H](O)c1ccco1 89794400 UXYWUWOZARSOAI-KBPBESRZSA-N 320.414 3.139 0 40 DGAB c1ccc2oc(-c3noc(Cn4cc(C5CC5)nn4)n3)cc2c1 89873083 CVMMKOUQPVZHTG-UHFFFAOYSA-N 307.313 3.000 0 40 DGAB CCn1c([C@@H](C)NCC(=O)Nc2ccccc2)nc2ccccc21 91309697 PXUINDJNNPNHGS-CQSZACIVSA-N 322.412 3.346 0 40 DGAB CC(=O)Nc1nc(CN[C@H](C2CCCC2)C(F)(F)F)cs1 91712819 DXDWTHHMVVAKIA-LLVKDONJSA-N 321.368 3.312 0 40 DGAB Oc1nc(SCCCCOc2ccccc2)nc2n[nH]cc12 95402939 WDKXSFRXXDPCAS-UHFFFAOYSA-N 316.386 3.010 0 40 DGAB CC(=O)c1csc(C(=O)N[C@H](C)[C@@H]2COc3ccccc32)c1 95438297 JCGGKQSGNLYZIT-YGRLFVJLSA-N 315.394 3.245 0 40 DGAB COC(=O)C1=C(C)O[C@H](CN[C@@H](C)c2ccc(Cl)cc2)C1 95446906 XSOXYMCLBXLXSF-HZMBPMFUSA-N 309.793 3.227 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)N1CC[C@H](O)c2ccccc2C1 95467306 KDEYQJMQDALDKW-GUYCJALGSA-N 315.438 3.393 0 40 DGAB CCSc1cccc(NC(=O)N2CCOC[C@H]2C2CC2)c1 95976536 KQEVHDRPSAPLDO-HNNXBMFYSA-N 306.431 3.441 0 40 DGAB CC(C)(C)n1ncc2c(Oc3ccc4cn[nH]c4c3)ncnc21 95980570 ZBUOCRQGIWCQHB-UHFFFAOYSA-N 308.345 3.250 0 40 DGAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2cccs2)n1 96184737 YPKSFVOBNSPFIE-ZWKOTPCHSA-N 313.470 3.300 0 40 DGAB Cn1cc2c(n1)[C@H](COCC1CC1)CN(Cc1cccs1)C2 96198007 JWGPTMMFNZGUTF-HNNXBMFYSA-N 317.458 3.008 0 40 DGAB CCc1ccccc1CNC(=O)Nc1cccc([S@](C)=O)c1 96420226 RCMDUFPSLOIVNO-JOCHJYFZSA-N 316.426 3.308 0 40 DGAB CSC[C@@H](C)C(=O)N[C@H](C)c1cccc(-n2ccnc2)c1 96432073 JUYRAROOJIIQRL-CHWSQXEVSA-N 303.431 3.049 0 40 DGAB Cc1csc([C@@H](C)NC(=O)N2CCS[C@@H](C(C)C)C2)n1 96439752 DVTSJENEBPXPRW-VXGBXAGGSA-N 313.492 3.296 0 40 DGAB Cc1nn(-c2ccccc2)cc1CN(C[C@H]1CCOC1)C1CC1 96489697 RWRFTZVITDZVRB-MRXNPFEDSA-N 311.429 3.182 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)C[C@H](C)c1nccs1 97108320 OAWKLWNRABNFRF-MNOVXSKESA-N 320.462 3.239 0 40 DGAB C[C@@H]1CC[C@H](NCc2ccccc2CS(C)(=O)=O)[C@H](C)C1 97108788 YLUDAFQHMHTGRC-CPUCHLNUSA-N 309.475 3.146 0 40 DGAB C[C@H](C(=O)O)[C@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97228692 BEJRTSVYAFTALM-SJCJKPOMSA-N 322.364 3.360 0 40 DGAB O=C1OC(c2ccccc2F)=N/C1=C/c1ccc(F)c(F)c1 97995916 KNUYDTUSFSCZIP-RIYZIHGNSA-N 303.239 3.448 0 40 DGAB Cc1nn(-c2ccccc2)c(O)c1[C@@H]1OC(=O)c2ccccc21 101027498 YILNJCYMQBNALH-MRXNPFEDSA-N 306.321 3.146 0 40 DGAB O=C(OCc1ccccc1Br)[C@H]1C[C@H]2CC[C@H]1O2 108349652 NMXCDTWXFUJZEW-NTZNESFSSA-N 311.175 3.060 0 40 DGAB FC(F)(F)c1nnc(SCc2noc(C3CC3)n2)s1 187426567 HKUZSGYDLRXEPL-UHFFFAOYSA-N 308.310 3.110 0 40 DGAB Clc1ccc(N2CC[C@@H](NC3CCOCC3)C2)c(Cl)c1 188934721 LMLRYSQUAYRYJB-CYBMUJFWSA-N 315.244 3.341 0 40 DGAB COC(=O)c1ccc(N2CCCCC2=O)c(C(F)(F)F)c1 199822444 AZLFDNMRISBXGT-UHFFFAOYSA-N 301.264 3.009 0 40 DGAB COc1cc(Br)ccc1-c1ccc(/C=C\C(N)=O)o1 208756452 IFRHBBBIMDFXSA-DAXSKMNVSA-N 322.158 3.216 0 40 DGAB COc1cccc(C[C@H](Oc2cccc(Cl)c2)C(=O)O)c1 225099083 QULMHDPTBFAXKX-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB O=C(NCCc1cccs1)c1cncnc1-c1ccccc1 390833845 NWURHTNULYPIAL-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB Cc1cc(NC(=O)c2cnn(C3CC3)c2)n(Cc2ccccc2)n1 528142077 SKAPRKQHCZGCSO-UHFFFAOYSA-N 321.384 3.024 0 40 DGAB COc1cccc2c(N[C@@H]3CCCc4c3cnn4C)nccc12 565991204 CYQNXCNMWXKAIH-OAHLLOKOSA-N 308.385 3.466 0 40 DGAB CN(C)CCc1ccc(NC(=O)C(C)(C)c2nccs2)cc1 585122050 LPJLZPMSSLAOKJ-UHFFFAOYSA-N 317.458 3.164 0 40 DGAB O=C(O)[C]1CCN1C(=O)OCC1c2ccccc2-c2ccccc21 1560406765 YFTBDDZBODFDPF-UHFFFAOYSA-N 322.340 3.258 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ncccc2C(F)(F)F)C1 1889098183 VBDPFAKBSQLGBR-LBPRGKRZSA-N 323.318 3.462 0 40 DGAB Cc1ccc(N2C(=O)C(Cl)=C(N3CCCCC3)C2=O)c(C)c1 101489 UNMHYFPPTXJIGW-UHFFFAOYSA-N 318.804 3.113 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1 248607 ZXIKFSUOEMZRFU-UHFFFAOYSA-N 305.790 3.170 0 40 DGAB CS(=O)(=O)N1N=C(c2ccco2)C[C@@H]1c1ccccc1Cl 385992 HFIBYGZVGQBMBN-CYBMUJFWSA-N 324.789 3.044 0 40 DGAB O=C1[C@@H](Cc2ccc3[nH]ccc3c2)NC(=S)N1c1ccccc1 506839 XZVTXJSFTDBKFL-MRXNPFEDSA-N 321.405 3.000 0 40 DGAB C[C@]1(C(=O)Nc2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 540800 SDZATQGETSTEFC-QGZVFWFLSA-N 315.756 3.450 0 40 DGAB O=C(c1cn(CC(=O)N2CCCCC2)c2ccccc12)C1CC1 578896 HOQCTFJPJSORKU-UHFFFAOYSA-N 310.397 3.247 0 40 DGAB CC(C)Oc1ccc(/C=C2\N=C(c3ccccc3)NC2=O)cc1 2334512 LUOWXFITZKNKNA-ATVHPVEESA-N 306.365 3.391 0 40 DGAB O=C1O[C@@H]([C@@H]2CCCCC2=O)C(Cl)=C1Oc1ccccc1 3102170 HMKYFALCCRBFSO-RISCZKNCSA-N 306.745 3.201 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2ccccn2)cc1OCC 3363629 ZPUACPALSIJYQT-ZDUSSCGKSA-N 314.385 3.370 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1nnc(-c2cccs2)o1 5268463 IAVPOPJBMDOINQ-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB O=C1S/C(=C\c2cccc(O)c2)C(=O)N1c1cccc(O)c1 5376155 CNQUEMJJQRLMPG-ZSOIEALJSA-N 313.334 3.339 0 40 DGAB CCc1noc(C)c1C(=O)OCc1cc(C(C)=O)ccc1OC 5391310 AFYZKMIUUSMTOR-UHFFFAOYSA-N 317.341 3.114 0 40 DGAB Cc1cc(C(=O)OCc2csc(-c3ccccc3)n2)on1 5565815 ZOCKRHCHSODUMF-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB CCOc1ccccc1NC(=O)Cc1cc(OC)ccc1OC 6540021 COMCLNMAVORKHH-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@H](C)O1 6824600 ZXYCTPSKEGEKRP-UWVGGRQHSA-N 318.295 3.226 0 40 DGAB C[C@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)c(F)c1 7404563 QHROGYBENCTIJT-NSHDSACASA-N 323.364 3.495 0 40 DGAB Cc1cc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)no1 7422807 VYSZHCAMIMLERN-UHFFFAOYSA-N 307.158 3.091 0 40 DGAB COc1cc(C(=O)Nc2cccc(N3CCCC3=O)c2)ccc1C 7491950 WRZRLBREGCUEHN-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB COc1ccc(Cl)cc1CC(=O)NCCc1cccc(F)c1 8051276 AHVFJIHWVYGCBB-UHFFFAOYSA-N 321.779 3.389 0 40 DGAB O=C1OC(c2ccc(F)cc2)=N/C1=C\c1ccc(F)cc1F 8179726 OYHSSTINUBHQSS-AUWJEWJLSA-N 303.239 3.448 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccccc2F)cc1F 8259623 WPHJGFGBOIBBPF-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)Cc2sccc2C)cc1 8309888 HMWOJFTVXKCMBP-UHFFFAOYSA-N 316.426 3.330 0 40 DGAB CC1(C)COc2cc(NC(=O)c3ccccc3)ccc2NC1=O 8959224 RMZUWXUILPDRGX-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB Cc1ccc(N2C[C@@H](CNC(=O)Nc3ccccc3)CC2=O)cc1 9040395 YCTXVHWKPIRGQG-OAHLLOKOSA-N 323.396 3.170 0 40 DGAB Cc1csc(NC(=O)/C=C/c2c(C)nc3sc(C)cn23)n1 9367029 CGSAHBIVSDYYNW-SNAWJCMRSA-N 318.427 3.429 0 40 DGAB CC(C)NC(=O)CSc1nccn1-c1cccc(Cl)c1 12541413 YPOKABLXRGTOIP-UHFFFAOYSA-N 309.822 3.142 0 40 DGAB CC(C)Cc1ccc([C@@H](C)NC(=O)CSCCC(=O)O)cc1 12743422 KIXLMDYXJPPNFR-CYBMUJFWSA-N 323.458 3.270 0 40 DGAB NC(=O)c1ccc(OCC(=O)c2ccc3ccccc3c2)cc1 14248764 HSWXWBICDBGYFF-UHFFFAOYSA-N 305.333 3.200 0 40 DGAB CC(C)C(=O)NC(=S)Nc1cc(Cl)cc(Cl)c1O 14257545 RHIHSHCCGVGHAP-UHFFFAOYSA-N 307.202 3.168 0 40 DGAB COc1c2occc2c(OC)c2c(=O)c(C(=O)C(F)F)coc12 15109306 QSASSMNMYBONBZ-UHFFFAOYSA-N 324.235 3.004 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)Nc1ccc2nsnc2c1 15841239 SGGNIZMLKAUMSM-VIFPVBQESA-N 317.345 3.236 0 40 DGAB COCCn1c(COc2cccc(OC)c2)nc2ccccc21 16902433 RPRGZDIJOKJOAL-UHFFFAOYSA-N 312.369 3.270 0 40 DGAB COc1ccc(CN(C)C(=O)Nc2ccccc2OC)cc1 18176599 NTOSGTBGXOGVLU-UHFFFAOYSA-N 300.358 3.368 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2ccc(C)o2)cc(OC)c1OC 21839606 PIMDQISEDFXCSW-NSHDSACASA-N 319.357 3.105 0 40 DGAB CCOc1ccccc1NC(=O)Nc1ccc2c(c1)CC(=O)N2 22506534 USYBDMMHOKLGTC-UHFFFAOYSA-N 311.341 3.224 0 40 DGAB O=C(CCC(=O)c1ccc2c(c1)CCCC2)Nc1nncs1 22705053 JNRKNSREXHJEPY-UHFFFAOYSA-N 315.398 3.019 0 40 DGAB O=C(CN1CCCCCC1=O)Nc1cccc(C(F)(F)F)c1 23694672 GLTITOAOLXDYAC-UHFFFAOYSA-N 314.307 3.047 0 40 DGAB CC(C)OCCN1C(=O)N[C@](C)(c2ccc(C(C)C)cc2)C1=O 25606728 LBTNTUWLMFXDQT-GOSISDBHSA-N 318.417 3.002 0 40 DGAB C[C@@H]1CCc2ccccc2N1C(=O)CN1CCc2ccccc2C1 28901304 MZWVSIAVHFZKNN-MRXNPFEDSA-N 320.436 3.413 0 40 DGAB O=C(CNc1cccc(OC2CCCC2)c1)NCC(F)(F)F 29943884 JAQGECVWRJONOM-UHFFFAOYSA-N 316.323 3.098 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(C)c(C)c2)c(CC(=O)O)s1 31976102 OADQNKIWAVXEBF-UHFFFAOYSA-N 318.398 3.403 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(Cn2cc(Cl)cn2)o1 32648167 DIINDIMHQGOWPW-NSHDSACASA-N 307.781 3.192 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)CCc2ccsc2)c1 32817517 CQOQWAGILANWQJ-UHFFFAOYSA-N 312.398 3.115 0 40 DGAB CCCCCNC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 32909422 YYUIEQFJXHDYMB-UHFFFAOYSA-N 305.422 3.040 0 40 DGAB CCOC(=O)N1CCC(NC(=O)CCCC2CCCCC2)CC1 33028326 CTGQYYHZZUAKIS-UHFFFAOYSA-N 324.465 3.474 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(CC)c(C)s2)C1 35153084 NFAYKVIMSWVKGU-ZDUSSCGKSA-N 309.431 3.034 0 40 DGAB O=C(O)[C@@H]1CCCN(Cc2csc(-c3ccsc3)n2)C1 35296677 ACHLCJOSTFGOND-SNVBAGLBSA-N 308.428 3.168 0 40 DGAB O=C(O)c1cc(Br)cnc1OC1CCCCC1 40447911 LBBYYOCVBHONDD-UHFFFAOYSA-N 300.152 3.254 0 40 DGAB CCC(CC)NC(=O)N(C)Cc1cnn(-c2ccccc2)c1 40493399 ZWYXQLJUOBRBLI-UHFFFAOYSA-N 300.406 3.202 0 40 DGAB COc1ccc(CNC(=O)Nc2cccc(Cl)c2C)cn1 43174511 CLJILXSWRWKXFI-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB Cc1nnc(NC(=O)NCC2(c3ccccc3)CCC2)s1 43408420 ISRIXBIXGATZIO-UHFFFAOYSA-N 302.403 3.090 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H]2CCCOc3ccc(F)cc32)c1 53367722 OANYGKINHYCMBI-CQSZACIVSA-N 316.332 3.000 0 40 DGAB Cc1ccccc1OCCCN(C)C(=O)NCc1cccnc1 56358946 AQBAKLNDTLHKHP-UHFFFAOYSA-N 313.401 3.001 0 40 DGAB O[C@H](CNCc1ccccc1OC(F)(F)F)c1ccccc1 58154543 MVFAKAGBPPRHMR-CQSZACIVSA-N 311.303 3.408 0 40 DGAB Cc1ccccc1[C@@H]1CCCN1C(=O)CNC(=O)c1ccccc1 58391515 JONUBONGADLKGA-SFHVURJKSA-N 322.408 3.089 0 40 DGAB Cc1cc(C)n(-c2ccccc2NC(=O)Cc2ccccc2O)n1 60349420 NNOSXSXPYBQXIR-UHFFFAOYSA-N 321.380 3.376 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N(C)Cc1nncn1C(C)C 65406303 BVJQJFNJOXRVSV-UHFFFAOYSA-N 321.450 3.020 0 40 DGAB CN(C)C(=O)c1cccc(CSC[C@H](O)c2ccccc2)c1 69288388 KHBIPTDGJNYGDJ-KRWDZBQOSA-N 315.438 3.355 0 40 DGAB Cc1ccccc1NC1CCN(C(=O)CCOC(C)C)CC1 69625715 KCXKKYAKCNZELO-UHFFFAOYSA-N 304.434 3.213 0 40 DGAB COCCn1cc(NC(=O)Nc2ccc(C)cc2Cl)cn1 69699021 BJBJEMAPAKTHHH-UHFFFAOYSA-N 308.769 3.135 0 40 DGAB CN(C)[C@H]1CCCN(C(=O)c2ccc(F)c(C(F)(F)F)c2)C1 69771510 OLSKGRSJTGAYCX-NSHDSACASA-N 318.314 3.011 0 40 DGAB COc1cc(CSc2cccs2)ccc1S(C)(=O)=O 71909999 IIVOTUQJDZVODV-UHFFFAOYSA-N 314.453 3.453 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2C(=O)Cc2cccs2)no1 72299425 KJHDBLIKFMHNHJ-LBPRGKRZSA-N 305.403 3.161 0 40 DGAB Cc1cc(C)nc(Nc2cncc([C@@H]3CCCN3C(C)C)n2)n1 72376223 PXPTVGQDISUUTP-HNNXBMFYSA-N 312.421 3.172 0 40 DGAB C[C@H](CNC(=O)OC(C)(C)C)N(C)Cc1ccc(Cl)nc1 72630916 ROVAONIWCNWJIA-LLVKDONJSA-N 313.829 3.080 0 40 DGAB COc1ccccc1C(C)(C)NC(=O)NCc1c(C)noc1C 75127408 WUZOIENMGYVMKC-UHFFFAOYSA-N 317.389 3.035 0 40 DGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)NCc1ccsc1 75170085 STNYIYVINNPLGI-UHFFFAOYSA-N 315.373 3.218 0 40 DGAB Cc1occc1CNc1ccc(C(=O)N2CCC(C)CC2)cn1 75610890 KRMVVNCGFMPATF-UHFFFAOYSA-N 313.401 3.467 0 40 DGAB c1ccc2c(c1)N(Cc1ccno1)CCCN2Cc1ccno1 76091280 HDIUEOVCJWCBFT-UHFFFAOYSA-N 310.357 3.080 0 40 DGAB C[C@](O)(CNc1ncnc2ccc(F)cc12)c1ccsc1 77236606 AJBYJESVBQRAJJ-HNNXBMFYSA-N 303.362 3.150 0 40 DGAB CC[C@@H]1CCCN(C(=O)c2ccc(-n3cncn3)c(F)c2)CC1 78878322 OADVLDCKFXRRQP-CYBMUJFWSA-N 316.380 3.059 0 40 DGAB COc1ccccc1NCC(=O)NC[C@H](C)c1ccsc1 78951140 JRBQKEVIGZNJNE-LBPRGKRZSA-N 304.415 3.089 0 40 DGAB Cc1ccc2c(c1)N(Cc1cccc(C(=O)N(C)C)c1)C[C@H](C)O2 81571477 SJHQHSVKCJTIBC-HNNXBMFYSA-N 324.424 3.484 0 40 DGAB Cc1occc1CNC(=O)N(C)Cc1nc2c(s1)CCCC2 83196764 YBOGJZUCKHLUQO-UHFFFAOYSA-N 319.430 3.265 0 40 DGAB COC(=O)c1coc(CNC2(c3nc(C)cs3)CCCC2)c1 83215505 LFQHBBMOHJITDN-UHFFFAOYSA-N 320.414 3.390 0 40 DGAB Cn1ccs/c1=N\C(=O)CCc1ccc(-c2ccccc2)[nH]1 84334685 OTWQKHZMPFEFDY-ZPHPHTNESA-N 311.410 3.142 0 40 DGAB CN(CCCCS(C)(=O)=O)Cc1ccc(Cl)cc1Cl 95413825 ULDFVNIELUEGOW-UHFFFAOYSA-N 324.273 3.250 0 40 DGAB O=C(CCc1ccccn1)NCCc1c(F)cccc1Cl 95415588 GYRQYAZNOWVZKG-UHFFFAOYSA-N 306.768 3.166 0 40 DGAB Cc1ccnc([C@H](NC(=O)C2CCC(F)(F)CC2)C2CC2)n1 95979752 BKOZYYATQBDWLW-CYBMUJFWSA-N 309.360 3.178 0 40 DGAB Cc1cccc(CN2CC[C@@H]3[C@@H]2CCN3Cc2ccsc2)n1 96184739 OKKMGSVCPLYIFB-MSOLQXFVSA-N 313.470 3.300 0 40 DGAB COc1ccccc1[C@H](CNC(=O)c1ccc(F)c(F)c1)OC 96384494 HCOGYEQUOKHYBI-INIZCTEOSA-N 321.323 3.091 0 40 DGAB CCN(Cc1ccccn1)C(=O)NC[C@H](C)c1cccs1 96460167 QUUSPIKKJYDKMU-ZDUSSCGKSA-N 303.431 3.478 0 40 DGAB O=C(O)c1ccc(CNC(=O)c2cccc(F)c2Cl)cc1 96479415 ZPKOLUVZIOUCFI-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB Cc1ccccc1C1=N/C(=C/c2ccc(C(=O)O)cc2)C(=O)O1 96635177 PWPYVBXSENWHRJ-XNTDXEJSSA-N 307.305 3.038 0 40 DGAB Cc1nc2ncc(C(=O)N(C)c3nc4ccccc4s3)cc2[nH]1 97108755 LYQZBIHGCUVIDK-UHFFFAOYSA-N 323.381 3.153 0 40 DGAB O=C(OC1CCN(CC(F)F)CC1)c1ccc2ncccc2c1 97113138 DZDLMRILYRIBDM-UHFFFAOYSA-N 320.339 3.121 0 40 DGAB C[C@@H](NC(=O)Nc1cccc(OCC(F)F)n1)c1ccncc1 97143254 PSNRPTXLSOKWJG-SNVBAGLBSA-N 322.315 3.003 0 40 DGAB COCCN1CCC(NCC2(c3cccc(Cl)c3)CC2)CC1 97228461 ZSSJRBBUCCQAAF-UHFFFAOYSA-N 322.880 3.072 0 40 DGAB CCn1/c(=N/C(=O)C(C)(C)C)sc2c(OC)ccc(OC)c21 100908988 KRRFLOXHXZHPOF-ICFOKQHNSA-N 322.430 3.213 0 40 DGAB Cc1ccccc1[C@H](C)NCc1noc(C2CCOCC2)n1 104355066 WZRBDXFUKJRFPG-ZDUSSCGKSA-N 301.390 3.123 0 40 DGAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@@H]1c1ccncc1 107329918 LNSQCEXJVCSXNV-ARLBYUKCSA-N 301.459 3.282 0 40 DGAB CN(C(=O)[C@@H]1CCCO1)c1ccc(Br)cc1Cl 121263691 XDWGLXPGNGUIJF-NSHDSACASA-N 318.598 3.244 0 40 DGAB Cc1cccc(CNC(=O)N2CCc3cc(Cl)ccc3C2)n1 191377953 JOBJYAKTSAXSKG-UHFFFAOYSA-N 315.804 3.311 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc[nH]1 222949844 KOAPBBMQXRAPBF-LSDHHAIUSA-N 300.431 3.182 0 40 DGAB COc1cccc(C[C@H](Oc2cc(C)cc(C)c2)C(=O)O)c1 225099468 QXYXTHRYDRRWQG-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CCCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CC 225223592 ZROSHTFMBAWFMW-OAHLLOKOSA-N 324.852 3.383 0 40 DGAB CCO[C@@](C)(C(=O)Nc1ccc(OC)c2ncccc12)C1CC1 225902663 WNLJPMWVQDGIGO-GOSISDBHSA-N 314.385 3.387 0 40 DGAB CC(C)n1c(Cl)nc2cc(C(=O)NC[C@H]3CCCO3)ccc21 225988247 BQUNNMLDDJOHTE-GFCCVEGCSA-N 321.808 3.179 0 40 DGAB CSC(C)(C)CNCc1c(C(F)(F)F)nc2n1CCCC2 583651245 JJAYFHLASAGVBO-UHFFFAOYSA-N 321.412 3.469 0 40 DGAB O=C(Nc1ccc(C2CCC2)cc1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 585123630 PUPCZXGIMSGQNV-USXIJHARSA-N 300.402 3.331 0 40 DGAB Cc1ncn(-c2ccc(NC(=O)c3cn(C4CC4)cn3)cc2)c1C 1553851208 XIOOMCQODSLBCW-UHFFFAOYSA-N 321.384 3.273 0 40 DGAB Cc1ncnc(C(=O)Nc2ccc(Br)cc2F)c1C 1888860266 JIONUTSVFCPPCX-UHFFFAOYSA-N 324.153 3.247 0 40 DGAB Cc1ccsc1CN1CC[C@@H](COc2ccc(F)cn2)C1 1889109347 TXXGCEATDUHSDF-CYBMUJFWSA-N 306.406 3.492 0 40 DGAB O=C(Nc1ccc2c3c(cccc13)S(=O)(=O)N2)c1ccccc1 34330 ZUBMIXXTCIFYBW-UHFFFAOYSA-N 324.361 3.206 0 40 DGAB COC(=O)c1cn(C(=O)c2ccc(OC)cc2)c2ccccc12 87900 SLKRGEZZGZITAI-UHFFFAOYSA-N 309.321 3.125 0 40 DGAB Nc1nonc1-c1noc(-c2sc3ccccc3c2Cl)n1 89188 XDZMTQJCBFIQLY-UHFFFAOYSA-N 319.733 3.237 0 40 DGAB CC(C)C[C@@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1 1381006 IMFNENUTBZFPIW-OAHLLOKOSA-N 307.390 3.300 0 40 DGAB COc1cccc(-c2n[nH]c3c2[C@@H](c2ccc(F)cc2)NC3=O)c1 1404795 XEYCZZKJPJWHHA-OAHLLOKOSA-N 323.327 3.057 0 40 DGAB COc1cc2[nH]c(=S)n(CCC(C)C)c(=O)c2cc1OC 2739399 MBXKNKWEMBLTGG-UHFFFAOYSA-N 308.403 3.122 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)c1nc2nccc(C)n2n1 3399729 VDKLUFDVYLIRLF-NSHDSACASA-N 309.373 3.199 0 40 DGAB O=C(NCCc1ccccn1)c1ccc(COc2ccccc2)o1 3406122 JDCMCXAQWSVNSS-UHFFFAOYSA-N 322.364 3.226 0 40 DGAB O=C(CCc1ccccc1)NCC1(c2ccccc2)CCOCC1 4165844 OZXLKPYJFSZSBG-UHFFFAOYSA-N 323.436 3.484 0 40 DGAB CC(=O)N(c1nc(/C=C/C(=O)O)cs1)c1ccccc1F 4200342 FHDDGPTUSASJCA-VOTSOKGWSA-N 306.318 3.065 0 40 DGAB COc1ccc(NC(=O)c2cccc(Br)c2)cn1 5062371 IKULOZJUZNSUAT-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB CN(C[C@@H](O)COc1ccc2c(c1)CCC2)C1CCCCC1 6001533 KVAAUYXCZPVBAL-GOSISDBHSA-N 303.446 3.180 0 40 DGAB COc1cccc(-c2nnc(NC(=O)C3CCCCC3)o2)c1 6451729 LAYNSUCYWMQHHL-UHFFFAOYSA-N 301.346 3.264 0 40 DGAB Cc1ccc(C)c(NC(=O)CCNC(=O)/C=C/c2ccccc2)c1 8180631 OQFOZWWVAHCGOR-ZHACJKMWSA-N 322.408 3.462 0 40 DGAB CC(=O)O[C@H]1CC[C@H]2[C@H]3CC[C@H]4OC(=O)CC[C@@H]4[C@@H]3CC[C@]12C 8622593 SCKVBFYHMGNGQY-DDVYYSQMSA-N 320.429 3.476 0 40 DGAB C[C@@H](C(=O)N1CCCc2ccccc21)N1CCc2ccccc2C1 8748268 QGPYWVXWJSSJCA-INIZCTEOSA-N 320.436 3.413 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@H](C)OC(=O)c1cccs1 8749572 ISHOZXFSMJTZLW-NSHDSACASA-N 319.382 3.249 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nc2ccc3c(c2)OCO3)s1 9550069 OZELTYYWKYUMAV-UHFFFAOYSA-N 317.366 3.387 0 40 DGAB O=C1c2ccccc2C(=O)N1Cc1csc(-c2ccccn2)n1 10567694 RHMJOSPPQUEMMX-UHFFFAOYSA-N 321.361 3.001 0 40 DGAB Cc1ccc(CCC(=O)OCC(=O)c2ccc[nH]2)cc1Cl 10740086 KPQFTMGEZXSPAP-UHFFFAOYSA-N 305.761 3.335 0 40 DGAB O=C(/C=C/c1ccccc1Cl)Nc1nnc([C@@H]2CCCO2)o1 10970765 BOASBKLJOXRDHJ-GUOLPTJISA-N 319.748 3.226 0 40 DGAB CC(C)C(=O)N[C@H]1CC(C)(C)Cc2nc(-c3ccncc3)ncc21 12220084 NOGYUYJQCJJCDH-INIZCTEOSA-N 324.428 3.324 0 40 DGAB CC(C)Cc1ccc([C@@H](C)C(=O)N[C@H](CC(C)C)C(N)=O)cc1 12401500 JGBGRKVWIMSUHP-RHSMWYFYSA-N 318.461 3.005 0 40 DGAB CN(Cc1ccccc1F)[C@H](C(=O)NC1CC1)c1ccccc1 12999513 WECJMUWMBGZDGG-SFHVURJKSA-N 312.388 3.277 0 40 DGAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccncc1 13709105 MOVPJNVHWNJJPK-CQSZACIVSA-N 306.365 3.319 0 40 DGAB C[C@H]1CN(C2CCN(Cc3ccccc3Cl)CC2)C[C@@H](C)O1 13750110 AZDORFUDLGFHJW-GASCZTMLSA-N 322.880 3.414 0 40 DGAB O=C(CN1CCC[C@H]1c1ccccc1)Nc1ccc2c(c1)OCO2 14085968 LFHKZHXVDJWQKP-INIZCTEOSA-N 324.380 3.191 0 40 DGAB Cn1c(Cl)cnc1CN1CCC(C(=O)c2ccccc2)CC1 14813990 PIGCGWALCKQEQC-UHFFFAOYSA-N 317.820 3.168 0 40 DGAB Cc1c(C(=O)C(=O)N2C[C@@H](C)C[C@@H](C)C2)c2ccccc2n1C 18157833 QCDGFBPOSKFWNA-BETUJISGSA-N 312.413 3.174 0 40 DGAB O=C(Cc1cccc(O)c1)N1CCC[C@H]1c1nc2ccccc2[nH]1 19375802 FWQDBYLSLRSUBB-KRWDZBQOSA-N 321.380 3.175 0 40 DGAB Cc1cc(C(=O)CN2CCOCC2)c(C)n1C1CCCCC1 19910726 SITRDBHVYWJFKN-UHFFFAOYSA-N 304.434 3.125 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2cccc(C(C)=O)c2)cc1 21818787 GDKGOBFVAGAFBN-GFCCVEGCSA-N 312.369 3.337 0 40 DGAB Cc1occc1C(=O)NCCOc1cccc2c1OC(C)(C)C2 24449970 KITCONQTEGSSMF-UHFFFAOYSA-N 315.369 3.110 0 40 DGAB CCOc1ccc(C(=O)NOCc2ccccc2)cc1OCC 25037652 CGQYTGBIIUNEMZ-UHFFFAOYSA-N 315.369 3.346 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc(C)cc2Cl)cc1 25365252 UVQSSTSRUAVSOL-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CCc1nc(C)c2c(C)c(C(=O)Nc3cc(C)on3)sc2n1 26355453 UWNNTYWLYZBNBJ-UHFFFAOYSA-N 316.386 3.419 0 40 DGAB COc1cccc(-n2c(S)nnc2COc2ccccc2)c1 26439401 ADJKNIOVYVPTDT-UHFFFAOYSA-N 313.382 3.144 0 40 DGAB Cc1ccc(CNC(=O)c2cccc(Nc3ncccn3)c2)cc1 28062827 SHPMPJPVRKCCPQ-UHFFFAOYSA-N 318.380 3.459 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCn2c1nc1ccccc12 29375372 PKGVDSLNEWIKEL-UHFFFAOYSA-N 316.364 3.107 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)cc1 29483257 YXXCTKTXOVVYST-LJQANCHMSA-N 322.408 3.447 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)s1)c1nnc2n1CCCCC2 29900935 DTFWIYUMFKKMPP-VIFPVBQESA-N 324.837 3.210 0 40 DGAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC[C@@H]1CCCO1 30754707 PEUJSHDGWNHOMZ-RDJZCZTQSA-N 313.397 3.292 0 40 DGAB CC[C@H](Oc1cccc2ccccc12)C(=O)NC[C@H]1CCCO1 30754714 PEUJSHDGWNHOMZ-WBVHZDCISA-N 313.397 3.292 0 40 DGAB Cc1cc(C)c2c(-c3ccccc3)nc(SCCCO)n2n1 32672204 IQVNUPXYIFGALQ-UHFFFAOYSA-N 313.426 3.488 0 40 DGAB CCc1nnsc1C(=O)N(Cc1ccc(F)cc1)C1CC1 32744782 PNCUVLAMGZVHIH-UHFFFAOYSA-N 305.378 3.044 0 40 DGAB CC[C@H](Sc1nc(C)cc(N)n1)C(=O)Nc1ccc(F)cc1 32848744 QTCBWYPKWXLPNQ-LBPRGKRZSA-N 320.393 3.016 0 40 DGAB Cc1nc(S[C@H]2CCCCNC2=O)c2c(C)c(C)sc2n1 32871635 PJIAAHBDLSEXKH-NSHDSACASA-N 321.471 3.377 0 40 DGAB COCCCNC(=O)c1c(C)noc1-c1ccc(Cl)cc1 35673277 WUQZVBWHQNXJEV-UHFFFAOYSA-N 308.765 3.070 0 40 DGAB COc1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1F 40017323 VKINENWILXQSRC-UHFFFAOYSA-N 308.378 3.479 0 40 DGAB CCCN(Cc1ccccc1)C(=O)c1cccc(NC(N)=O)c1 40160492 SLJKGGNXOBBBRI-UHFFFAOYSA-N 311.385 3.230 0 40 DGAB O=C(NCCc1cccs1)NCc1nc2ccccc2s1 40477815 BZVVSBGYGMHCFQ-UHFFFAOYSA-N 317.439 3.400 0 40 DGAB NC(=O)c1ccc(Nc2nc(NC3CC3)c3ccccc3n2)cc1 41149616 HQJVVNDYUSZFOV-UHFFFAOYSA-N 319.368 3.047 0 40 DGAB CC[C@@H](C)NC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 42646440 FHRCXFMJWRIPBZ-SSDOTTSWSA-N 322.714 3.212 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)o2)on1 43722619 IZCSGSAOZQXGCN-STQMWFEESA-N 303.362 3.492 0 40 DGAB CCN1CCC[C@H]1CNC(=O)CCCc1c[nH]c2ccccc12 44670856 HUDDAKGMPHFFKG-INIZCTEOSA-N 313.445 3.091 0 40 DGAB CCN(Cc1cccs1)C(=O)NC[C@H](c1ccco1)N(C)C 44891241 GJQCGKNZQRVAHA-CQSZACIVSA-N 321.446 3.176 0 40 DGAB Cc1nc(NCc2ccco2)sc1C(=O)NCc1ccco1 44918543 OVWNDUKEIQQTLW-UHFFFAOYSA-N 317.370 3.180 0 40 DGAB COc1ccc2oc(-c3ccc(C)c(-n4cnnc4)c3)nc2c1 45920551 HWRTXZGXGGKBFH-UHFFFAOYSA-N 306.325 3.393 0 40 DGAB CN(C)C1(CNC(=O)c2cccc(C(F)(F)F)c2)CCCC1 46445513 QEDURKVJKHATPO-UHFFFAOYSA-N 314.351 3.310 0 40 DGAB CCC[C@@H](NC(=O)[C@@H](C)NC(=O)c1ccoc1)c1ccccc1 48229257 PCXWYGJZBDTRNY-CZUORRHYSA-N 314.385 3.056 0 40 DGAB CSc1cccc(NC(=O)[C@H](C)NC(=O)C2CCCC2)c1 48253269 ANLWDMYSVQLIDS-NSHDSACASA-N 306.431 3.042 0 40 DGAB Cc1ccoc1C(=O)Nc1cccc(OCCn2ccnc2)c1 55420386 BAZPLOKYIJBFRX-UHFFFAOYSA-N 311.341 3.116 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(-n2cccn2)nc1 55554303 MJBUPJBAQROOCA-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CCN1CCC(N(C(=O)c2cc(C)n(CC)c2C)C2CC2)CC1 58261682 ULAQCNYVUVRHMD-UHFFFAOYSA-N 317.477 3.214 0 40 DGAB Cc1ccc(C(=O)Nc2ccn(CCc3ccccn3)n2)c(C)c1 58324751 GHTWPXUKFSUATI-UHFFFAOYSA-N 320.396 3.390 0 40 DGAB CN(C)C(=O)c1cccc(NC(=O)NCCC2=CCCCC2)c1 58324760 ZTIQBRAQNVAUBJ-UHFFFAOYSA-N 315.417 3.400 0 40 DGAB CC1=NN(C(=S)c2ccc(C)cc2)[C@@](O)(C(F)(F)F)C1 59431975 UKFXGUJPRLHEBS-LBPRGKRZSA-N 302.321 3.003 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)C[C@H]1Sc2ccccc2NC1=O 63814755 UTLPYOHMFNWAPG-DZGCQCFKSA-N 318.442 3.137 0 40 DGAB Oc1ccc(C2=CCN(Cc3nnsc3Cl)CC2)cc1 65608103 YPVWTSBRJGTTSD-UHFFFAOYSA-N 307.806 3.186 0 40 DGAB CCNC(=O)c1cccc(NC(=O)NCC2(C)CCCC2)c1 66667399 FBJQCVJJZBHZDG-UHFFFAOYSA-N 303.406 3.138 0 40 DGAB Cc1nc(C(=O)N[C@H](c2ccccc2)c2ccccn2)cs1 69324819 CDXCOHDKQVKOLC-MRXNPFEDSA-N 309.394 3.366 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccccc1 69461720 VFHOLZJMMSXFPZ-OALUTQOASA-N 323.440 3.284 0 40 DGAB CN(C(=O)c1ccccn1)[C@@H](c1cccc(F)c1)c1ccccn1 69528477 UIWJOPJSLDACQK-SFHVURJKSA-N 321.355 3.477 0 40 DGAB COc1cc(Cl)c(NC(=O)CCc2ccncc2)cc1OC 69918412 UHIVVMQRVQSVLU-UHFFFAOYSA-N 320.776 3.324 0 40 DGAB Cn1cccc1-c1nnc(-c2cnc3onc(C4CC4)c3c2)o1 71890706 ABSJQJLFLPEZPN-UHFFFAOYSA-N 307.313 3.156 0 40 DGAB CCc1noc([C@@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 76046833 CURGWYRAWMYFFO-YPMHNXCESA-N 317.437 3.312 0 40 DGAB O=C1NCCCC[C@@H]1SCc1csc(-c2ccco2)n1 78758358 UOOOJWJTAJKAKD-LBPRGKRZSA-N 308.428 3.305 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)NCc2csc(C3CC3)n2)C1 78941660 ZMOGCBYRFHYZBW-JQWIXIFHSA-N 311.476 3.104 0 40 DGAB O=C(C[C@@H]1CCCCO1)Nc1cccc(-n2cc[nH]c2=S)c1 87066383 CGZCKQMTDWDODR-AWEZNQCLSA-N 317.414 3.433 0 40 DGAB O=C(/C=C/c1ccco1)Nc1cccn(Cc2ccccc2)c1=O 88267989 RJLKFGHJEWFKHP-ZHACJKMWSA-N 320.348 3.142 0 40 DGAB Cc1csc([C@H](NC(=O)Cc2ccc(C)c(O)c2)C2CC2)n1 89454060 WNKPDFJLVGHSPQ-MRXNPFEDSA-N 316.426 3.276 0 40 DGAB Cn1ccnc1-c1cccc(NC(=O)N[C@H]2CCCSC2)c1 89761493 QTKFGSUYNHPYEF-AWEZNQCLSA-N 316.430 3.104 0 40 DGAB CN1CC[C@H](NC2CCSCC2)[C@@H]1c1ccc(F)c(F)c1 90943159 BQQLRPWXHHUZQZ-HOTGVXAUSA-N 312.429 3.195 0 40 DGAB Cc1ccc(CN2CCCN(C(=O)c3ccsc3)CC2)s1 92149117 FHOMBHUBKQSQPQ-UHFFFAOYSA-N 320.483 3.466 0 40 DGAB CCCCc1csc(C(=O)Nc2cccc([S@](C)=O)c2)n1 95401655 WUSJYRAEZVMKPP-OAQYLSRUSA-N 322.455 3.475 0 40 DGAB CCc1cccc(C(=O)OC)c1NC(=O)c1ccnn1C(C)C 95427931 GHEIULQFKWTOAP-UHFFFAOYSA-N 315.373 3.065 0 40 DGAB CCn1ccnc1CNc1cc(C(=O)OC)ccc1OC(C)C 95964360 PGDMGISSIOJLOS-UHFFFAOYSA-N 317.389 3.089 0 40 DGAB Cc1cccc2c1[C@H](C)C[C@H]2NC[C@H](CO)Cc1ccccn1 95982188 IYDIFYRXURUYNQ-GPMSIDNRSA-N 310.441 3.379 0 40 DGAB C[C@@H](CS[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 95993980 QJELNOBJGMTJCJ-XJKSGUPXSA-N 315.442 3.062 0 40 DGAB CCCc1cc(C(=O)Nc2ccc(C(C)=O)c(Cl)c2)[nH]n1 96011069 RJVCIGGXKVFBQQ-UHFFFAOYSA-N 305.765 3.471 0 40 DGAB O=C(c1ccccc1F)N(Cc1ccco1)C1CCOCC1 96025006 URIBSPYOEBPERA-UHFFFAOYSA-N 303.333 3.240 0 40 DGAB CCO[C@H]1CC2(CCN([C@@H]3CCOC3)CC2)c2cc(F)ccc21 96241673 ZRJQGKGCUGUYHW-QAPCUYQASA-N 319.420 3.430 0 40 DGAB O=[S@](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 96404540 PARMUJPZTPZMEJ-NRFANRHFSA-N 306.358 3.141 0 40 DGAB CCn1nc(C)cc1C(=O)N[C@](C)(CC)c1nc(C)cs1 96423342 BYPUSHCKCKRGRY-OAHLLOKOSA-N 306.435 3.032 0 40 DGAB O=C(C1=CCCCO1)N1CCn2cccc2[C@@H]1c1ccccc1 96427158 CDMXVGHYSNUPIL-SFHVURJKSA-N 308.381 3.114 0 40 DGAB CC(=O)c1cccc(NC(=O)NC[C@H]2CCO[C@@H]2C(C)C)c1 96454091 RYBARDJCVFYEOZ-GDBMZVCRSA-N 304.390 3.072 0 40 DGAB Cc1nc(SCC[C@@H]2CCCN2C)n(C[C@@H]2CCCO2)c1C 96485294 NDZXYZJTJGUAGG-HOTGVXAUSA-N 323.506 3.255 0 40 DGAB CC[C@@H](CCO)NCc1ccc(Br)c2cccnc12 96496279 MUWJFGNWSGYBLT-LBPRGKRZSA-N 323.234 3.248 0 40 DGAB Cc1cc(Cl)cc(NC(=O)c2ccc([S@@](C)=O)cc2)c1O 97010295 UCDKNXQBIKLZPU-NRFANRHFSA-N 323.801 3.344 0 40 DGAB CSC[C@@H](C)NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 97080514 SWRSFOCVTOFXMA-RISCZKNCSA-N 324.494 3.405 0 40 DGAB Cn1nccc1CNc1nnc(-c2cc3c(s2)CCCC3)o1 97114557 GTTKAKFLBQKBJX-UHFFFAOYSA-N 315.402 3.023 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21 97218198 PFRCHRCBSDOHCN-OAHLLOKOSA-N 320.408 3.392 0 40 DGAB C[C@@]12C[C@H](NC(=O)N1c1ccc(C(=O)O)cc1)c1ccccc1O2 100262463 LKYVDEVHSWVJOR-KBXCAEBGSA-N 324.336 3.154 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)[C@@H]1C[C@@H]2CC[C@@H]1C2 102798638 XOFPARRMSVVCOW-NCXUSEDFSA-N 312.457 3.203 0 40 DGAB COc1ccc(CC[S@](=O)Cc2ccc(F)c(F)c2)cc1 190797874 CQTOBXNNTRCHRW-NRFANRHFSA-N 310.365 3.465 0 40 DGAB C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCN)C1CC1 195542307 IIDHKSGIAUAXGU-SNVBAGLBSA-N 300.324 3.106 0 40 DGAB COc1ccc(CNc2ccc3oc(=O)[nH]c3c2)cc1SC 225567400 YBRJPQPRRWJCHK-UHFFFAOYSA-N 316.382 3.464 0 40 DGAB O=C(c1cccc(F)c1)N1CC[C@@H](N2CCc3ccccc3C2)C1 238852245 JOIIEZKZAIBFON-LJQANCHMSA-N 324.399 3.099 0 40 DGAB c1cnc2[nH]c(C3CC3)c(CN3CCN4CCCC[C@H]4C3)c2c1 253588891 YDDXBZPYKLEQPH-HNNXBMFYSA-N 310.445 3.110 0 40 DGAB Cc1ncc(CN(C)C)c([C@H]2CCCN2Cc2ccsc2)n1 257274163 NJVDBGNILNUNOG-MRXNPFEDSA-N 316.474 3.245 0 40 DGAB COc1cccc(F)c1CN1CCC[C@H]1c1nc(C)cn1C 257276594 NUKLOZCWWNFXRA-HNNXBMFYSA-N 303.381 3.213 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)N=C3S[C@H](C)CN32)n1C 260786531 XZLCIGDEYJODPA-DAXOMENPSA-N 312.442 3.318 0 40 DGAB CC(C)c1nn(C)cc1NC(=O)NC(C)(C)c1nccs1 280825033 UMPBALXXBXWWCS-UHFFFAOYSA-N 307.423 3.057 0 40 DGAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)N=c1cc[nH]cc1 580191046 GERDXNWGKPBRMA-SFHVURJKSA-N 313.376 3.272 0 40 DGAB CCOC[C@@H]1CCN(Cc2ccc3ccc(F)c(F)c3n2)C1 585086296 OFSPNBRADVFZLB-GFCCVEGCSA-N 306.356 3.371 0 40 DGAB Cc1cc2c(cc1NC(=O)[C@@H]1CCN(C)c3ccccc31)OCO2 585139847 QFQFUAKZQMHRRL-CQSZACIVSA-N 324.380 3.286 0 40 DGAB NC[C@H](CN1Cc2ccccc2C1=O)c1ccc(Cl)cc1 1565524315 IUFVLUJBKCZETP-CQSZACIVSA-N 300.789 3.038 0 40 DGAB Cc1cnn(CC2CN(Cc3ccc(C(F)(F)F)cc3)C2)c1 1849138656 DYGCPAAZOZEPIO-UHFFFAOYSA-N 309.335 3.342 0 40 DGAB CN(c1ccccn1)C1CCN(c2cc(C3CCC3)ncn2)CC1 1889091903 KGIVQRBOVLLDHN-UHFFFAOYSA-N 323.444 3.244 0 40 DGAB Cc1cc2nc(C3CCN(C4CCCCC4)CC3)cc(O)n2n1 2037845990 JRZBKYTVVHEEQO-UHFFFAOYSA-N 314.433 3.255 0 40 DGAB COc1ccc(OCC(=O)N2CC[C@H](c3ccccc3)C2)cc1 203542 YDIZLORLDJAVOP-INIZCTEOSA-N 311.381 3.090 0 40 DGAB Cc1ccc(NC(=O)CN2C[C@H](c3ccccc3)CC2=O)cc1C 386339 OFTNTXWNPZIJNO-QGZVFWFLSA-N 322.408 3.258 0 40 DGAB COc1ccc2c(c1OC)C(=O)N(c1ccc(C)c(C)c1)C2=O 483951 MYHLFYNABHWRSX-UHFFFAOYSA-N 311.337 3.121 0 40 DGAB Cc1ccccc1Cn1cc(NC(=O)COc2ccccc2)cn1 1000867 ORIALTLIRBEUOL-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC(n2nnc3ccccc32)CC1 1380488 ZEYJAVMRPXLYLY-UHFFFAOYSA-N 324.359 3.048 0 40 DGAB CC(C)CNC(=O)CCc1nc(-c2ccccc2Cl)no1 2408616 PIFSAHXAXMADGM-UHFFFAOYSA-N 307.781 3.095 0 40 DGAB O=C(O)/C=C/c1cc(Br)c(O)c(Br)c1 2524646 UEQYGMAVJOIRJG-OWOJBTEDSA-N 321.952 3.015 0 40 DGAB O=S(=O)(Oc1cccnc1Cl)c1ccc(Cl)cc1 2555984 PRQKIXNGZJYLGO-UHFFFAOYSA-N 304.154 3.156 0 40 DGAB O=C(CSc1nnc2ccccn12)Nc1ccccc1Cl 2622586 PAYNKIVTKYMAHS-UHFFFAOYSA-N 318.789 3.114 0 40 DGAB O=C1[C@@H]2CCCN2C(=S)N1c1cc(Cl)ccc1Cl 2788747 CHAZEHBZDDQVEZ-VIFPVBQESA-N 301.198 3.089 0 40 DGAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccco2)cc1 3219268 CWZKWWRKSWQIOZ-UHFFFAOYSA-N 301.342 3.373 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)COC(=O)c1cccs1 3237820 YXHGIEVDZDOAGV-ZDUSSCGKSA-N 317.410 3.042 0 40 DGAB c1cc2c(cc1-c1csc(NC[C@H]3CCCO3)n1)OCO2 3351508 KICXBQXFTMKLGT-LLVKDONJSA-N 304.371 3.130 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)cc1C 3443544 BKHGRJJMLFTCQM-HNNXBMFYSA-N 311.381 3.338 0 40 DGAB CCSc1nnc(NC(=O)/C=C/c2ccccc2F)s1 3592263 RWLRYNZSSDVPJA-BQYQJAHWSA-N 309.391 3.441 0 40 DGAB COC(=O)CCC(=O)Nc1ccc2oc3c(c2c1)CCCC3 4520629 RDXYAMZKXBXZSD-UHFFFAOYSA-N 301.342 3.203 0 40 DGAB C[C@@H](CO)N1C(=O)c2ccccc2[C@H]1c1c[nH]c2ccccc12 4740096 QBEPPLKBCKJLKA-SGTLLEGYSA-N 306.365 3.094 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2CCCc3ccccc32)c1 6314662 YZJIDKZGMMWFDH-UHFFFAOYSA-N 301.411 3.445 0 40 DGAB O=C(/C=C/c1ccco1)Nc1nnc(Cc2ccccc2)s1 6334407 IIHBAAPFPGAXON-CMDGGOBGSA-N 311.366 3.374 0 40 DGAB COc1ccc(C2=NC[C@H](CSc3nccn3C)S2)cc1 6508056 GZAMTETVENSXFN-CYBMUJFWSA-N 319.455 3.083 0 40 DGAB COC[C@H](C)N[C@H](C)C(=O)Nc1ccccc1-c1ccccc1 6936871 JYRYQKRUFMXQBK-LSDHHAIUSA-N 312.413 3.305 0 40 DGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)c1cccc(F)c1 7405441 PQEMVLHHXPZMSW-UHFFFAOYSA-N 314.360 3.153 0 40 DGAB Cc1c(Cl)cccc1NC(=S)NCCCn1ccnc1 7502191 PLHZRZIJYDYFSC-UHFFFAOYSA-N 308.838 3.222 0 40 DGAB Cc1cccc(C)c1NC(=O)CSc1nnc(C)n1C1CC1 7617245 LIXAAXXWSUIBSR-UHFFFAOYSA-N 316.430 3.269 0 40 DGAB COC(=O)CCCNc1ncnc2sc3c(c12)CCCCC3 8346181 HQXVJOAWCWMHMI-UHFFFAOYSA-N 319.430 3.325 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2cccc(S(C)(=O)=O)c2)cc1 8704852 LKPFHOAMDGERGY-ZHACJKMWSA-N 315.394 3.050 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)CN(C(=O)c1ccco1)CC2 9036626 JEWCAIRHWMAXFA-UHFFFAOYSA-N 312.369 3.073 0 40 DGAB CCN(CC)c1ccc(C(=S)N2C[C@H](C)O[C@@H](C)C2)cc1 9188951 XPNUOAJHDARRLN-KBPBESRZSA-N 306.475 3.318 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC(F)F 9516527 PMFVTCYNIUFLKT-CQSZACIVSA-N 320.295 3.151 0 40 DGAB NC(=O)c1ccccc1NC(=O)/C=C/c1cc2ccccc2o1 9954528 UXLXQKRPPDIATD-MDZDMXLPSA-N 306.321 3.184 0 40 DGAB CCN(Cc1cccs1)C(=O)c1ccc(NC(C)=O)cc1 10228399 KHEUJAIRIQEOJH-UHFFFAOYSA-N 302.399 3.369 0 40 DGAB CC(C)c1cccc(NC(=O)CSc2cccc[n+]2[O-])c1 10951118 WHTONMAOVGCEBG-UHFFFAOYSA-N 302.399 3.174 0 40 DGAB Cc1cc(C(=O)N2CCCCC[C@@H]2c2nn(C)cc2Cl)on1 12133793 KYAJMZJVKIDUNC-GFCCVEGCSA-N 322.796 3.127 0 40 DGAB Cc1ccc(NC(=O)Cc2csc3nc(C)cn23)c(F)c1 12603624 JLLJTFPXMKYTRF-UHFFFAOYSA-N 303.362 3.333 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccsc1 12786331 NJXBVVYDVZSESG-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COc1ccccc1CN(C)[C@H](C(=O)NC1CC1)c1ccccc1 12867619 UCKMQPOMFAYXBB-IBGZPJMESA-N 324.424 3.147 0 40 DGAB COc1ccc(OCCCSC2=N[C@@H]3CCCC[C@@H]3N2)cc1 12971427 JRFUFLALEWPRFO-IYBDPMFKSA-N 320.458 3.468 0 40 DGAB CC(C)CNC(=S)Nc1ccc(C(=O)N2CCCCC2)cc1 13748613 WWTUKPZHXOPSJN-UHFFFAOYSA-N 319.474 3.255 0 40 DGAB CCn1cncc1CN(Cc1cccc(F)c1)C[C@@H]1CCCO1 13994049 AWEVZAVYARPMBI-SFHVURJKSA-N 317.408 3.223 0 40 DGAB CCc1[nH]c(C(=O)Nc2ccccc2C)c(C)c1C(=O)OC 14183464 FSNNHFBYSXRCIO-UHFFFAOYSA-N 300.358 3.233 0 40 DGAB O=C(CSC1=NCCS1)Nc1ccc(N2CCCC2)cc1 15480440 AHYOBFHTTUWCRX-UHFFFAOYSA-N 321.471 3.061 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)o1 16377471 KGAIKTLZMDTZQI-CABCVRRESA-N 300.402 3.286 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)C1CCCC1 16971386 MDMRCUYHJBBKNO-UHFFFAOYSA-N 305.393 3.180 0 40 DGAB Cc1ccccc1OCC(=O)OCc1cc(-c2ccco2)on1 18225562 APAPBSLJRIOZHH-UHFFFAOYSA-N 313.309 3.365 0 40 DGAB O=c1cc([C@H]2CCCCN2C2CCCC2)nc(-c2ccncc2)[nH]1 19405823 LURMFGAJCMKYGX-QGZVFWFLSA-N 324.428 3.302 0 40 DGAB COc1ccc([C@H](C)NS(=O)(=O)Cc2ccccc2F)cc1 20494980 YPAVRGKDMSYRHF-LBPRGKRZSA-N 323.389 3.015 0 40 DGAB CCOc1ccc2oc(C(=O)Nc3nncs3)c(C)c2c1 21213240 RKXMLKVNCVFQPQ-UHFFFAOYSA-N 303.343 3.244 0 40 DGAB O=C(NC1CCN(c2nc3ccccc3o2)CC1)c1ccccc1 22530662 SIFIRGIZUJVHMZ-UHFFFAOYSA-N 321.380 3.227 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCO[C@H](c2ccccc2)C1 22626744 KGKZGZYPVWAMCB-IBGZPJMESA-N 320.392 3.311 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)[C@@H]2C[C@H]2c2ccccc2)c1C 28573427 IOEJHMCIOPLYLH-DLBZAZTESA-N 311.429 3.282 0 40 DGAB COc1ccc(CNC(=O)CCCc2nc3ccccc3[nH]2)cc1 29053517 ACBLLLHEXLYJCU-UHFFFAOYSA-N 323.396 3.211 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCOc2ccc(F)cc2)cc1 30132855 JSHUYVBXFDOGHM-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB COc1cccc(CCC(=O)N2CCn3c2nc2ccccc23)c1 30795392 NRJVJVXEFUINMU-UHFFFAOYSA-N 321.380 3.024 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)NCCc2ccccc2)n1 32641461 VVROFAWCSVWMPP-UHFFFAOYSA-N 315.417 3.049 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H](C(=O)OCc2ccccc2)C1 34006967 PCDSVOCCBYCHPQ-HNNXBMFYSA-N 319.401 3.377 0 40 DGAB O=C(NC1CCCCCC1)c1ccn(-c2ccc(F)cc2)n1 36391181 OMJXTPJEXSRVMM-UHFFFAOYSA-N 301.365 3.464 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N1CCCCCC1 41103603 KOBASICAPBODGU-UHFFFAOYSA-N 301.308 3.487 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(CC(=O)N2CCCC2)cc1 41282138 ZHVBTTUWADVFFT-UHFFFAOYSA-N 322.408 3.033 0 40 DGAB CN(C(=O)c1cc(C2CC2)n(C(C)(C)C)n1)c1nccs1 42714215 GTBZXQAZBQWEGU-UHFFFAOYSA-N 304.419 3.249 0 40 DGAB CCNc1nnc(SC[C@@H](O)c2ccc(F)cc2F)s1 44262443 IJQHZLRZMFRBDQ-SNVBAGLBSA-N 317.386 3.074 0 40 DGAB COc1ccc(OCCNC(=O)c2c(C)oc(C)c2C)cc1 44874583 TWPKLOHLUNPHAT-UHFFFAOYSA-N 303.358 3.022 0 40 DGAB Cc1cc(Br)oc1C(=O)N1CCOc2ccccc21 44966793 OHDPJEWCJHMUAT-UHFFFAOYSA-N 322.158 3.390 0 40 DGAB COCCn1cc(NC(=O)N[C@@H]2C[C@@H](C)CC[C@H]2C(C)C)cn1 45637400 LILJJTCTUZRVEA-CWRNSKLLSA-N 322.453 3.112 0 40 DGAB C[C@@H](Cn1cccn1)NC(=O)c1ccccc1-c1ccccc1 48127517 ROIKGWKWLNQIBJ-HNNXBMFYSA-N 305.381 3.369 0 40 DGAB c1ccc(Cc2noc(CN3CCC[C@H]3c3ccc[nH]3)n2)cc1 48288790 CSAJYQRGTAACOM-INIZCTEOSA-N 308.385 3.326 0 40 DGAB CCC[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 50735739 GUGYQPHEFOSCSE-GXTWGEPZSA-N 322.474 3.214 0 40 DGAB Cn1ccc(CN[C@@H](Cc2ccccc2)c2ccccc2)cc1=O 51797348 DLVUXMUZYDZBHJ-FQEVSTJZSA-N 318.420 3.459 0 40 DGAB O=C(CCc1ccc(F)cc1)NCCCN1CCCCCC1 52840677 KMTQKVREWOJEFL-UHFFFAOYSA-N 306.425 3.141 0 40 DGAB Cc1cc(C)cc(N(C)C(=O)CN(C)C(=O)c2cccs2)c1 55899042 QYIWELGEKAGPMW-UHFFFAOYSA-N 316.426 3.100 0 40 DGAB COc1ccc(CCC(=O)NCCCN2CCCCCC2)cc1 57288934 LRCWLROZOUYOHU-UHFFFAOYSA-N 318.461 3.010 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2ccc(C)s2)c1C 58181814 WUKHRWQHXMBZNN-UHFFFAOYSA-N 304.415 3.349 0 40 DGAB CCn1ncc(C(=O)NCC2CCC(C)CC2)c1C(F)(F)F 58377163 TYAFEKORMLCGNE-UHFFFAOYSA-N 317.355 3.478 0 40 DGAB COCCCN(C)C(=O)C1c2ccccc2Oc2ccccc21 65610008 IPNUAOOLEVHMCH-UHFFFAOYSA-N 311.381 3.419 0 40 DGAB C[C@H](NC(=O)c1c[nH]c(=S)n1-c1ccccc1)c1ccccn1 68259227 JRXKLOAPWUEVRY-LBPRGKRZSA-N 324.409 3.421 0 40 DGAB c1ccc(-c2nccc(N3CCc4c(ncn4C4CC4)C3)n2)cc1 69387123 OXZJCJKADUPWQH-UHFFFAOYSA-N 317.396 3.238 0 40 DGAB C[C@@H](CCc1ccccc1)CC(=O)N(C)C1CCN(C)CC1 69420612 RRSJELXAZVCGII-INIZCTEOSA-N 302.462 3.198 0 40 DGAB CCc1nc(CCNC(=O)Cc2cccc(F)c2)sc1C 69533057 JIIXJDUMZIAYKI-UHFFFAOYSA-N 306.406 3.054 0 40 DGAB Cc1ccccc1[C@@H]1CCN(C(=O)c2ccnc(N(C)C)c2)C1 69662200 YVPOQUZQCFCEJC-MRXNPFEDSA-N 309.413 3.086 0 40 DGAB COc1ccc([C@@H](C)N2CCC(n3cncn3)CC2)cc1Cl 69777920 QWZNRBVJNLNGBR-GFCCVEGCSA-N 320.824 3.338 0 40 DGAB NC(=O)[C@@H](N[C@@H]1CCc2c(Cl)cccc21)c1ccccc1 71824507 DMIQJJXECSMPLV-CVEARBPZSA-N 300.789 3.144 0 40 DGAB O=C(CSCc1ccncc1)N1CC[C@@H](c2ccccc2)C1 71844397 CYKSAXLFJUYWSV-QGZVFWFLSA-N 312.438 3.331 0 40 DGAB Cn1cnc2c1CCN(Cc1csc(C3CCCC3)n1)C2 71878940 LHNCIFCXJTVQGB-UHFFFAOYSA-N 302.447 3.093 0 40 DGAB Clc1ccccc1CN[C@@H](Cn1cncn1)c1ccccc1 72242436 GMXUOZBDHMTJPA-KRWDZBQOSA-N 312.804 3.463 0 40 DGAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@@H]1c1ccccc1 72242709 JPKBMSVGCFXTJN-VKJFTORMSA-N 307.397 3.082 0 40 DGAB c1cn(-c2cncc(C3CCN(C4CCCCC4)CC3)n2)cn1 72355523 VGXXBYZMCXVTND-UHFFFAOYSA-N 311.433 3.174 0 40 DGAB CCC(=O)N1CCC(c2nccnc2Oc2ccccc2)CC1 72362194 OKWNISJWTAOELR-UHFFFAOYSA-N 311.385 3.385 0 40 DGAB COCc1nc(C)cc(N[C@H](C)[C@H](O)c2ccc(Cl)cc2)n1 75055749 HQOKXIRTTHBPPW-BZNIZROVSA-N 321.808 3.119 0 40 DGAB CC(=O)Nc1ccc(CN[C@@H]2CCN(c3ccccc3)C2)cc1 78604216 SANWWNRQVACDHZ-GOSISDBHSA-N 309.413 3.014 0 40 DGAB Cc1nc(C)c(CCNC(=O)CSc2ccccc2)s1 78713473 SVTFQVRXCFTVTC-UHFFFAOYSA-N 306.456 3.211 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)o1)[C@@H]1C[C@H]1c1ccco1 84563014 YADDZJLRYNPRNQ-ZIAGYGMSSA-N 308.337 3.355 0 40 DGAB COC(=O)CN(C(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C)c1ccccc1 84670927 UROFLUGCQFSDRE-WBVHZDCISA-N 315.413 3.431 0 40 DGAB Cc1noc(C)c1CCCNC(=O)NCc1cccc(Cl)c1 84840675 DVVRMWARQMLMBS-UHFFFAOYSA-N 321.808 3.377 0 40 DGAB C[C@H]1CCC[C@H]1NCc1cccc(C(=O)NCc2ccco2)c1 88684253 SEDNOVDHTBWYSY-KBXCAEBGSA-N 312.413 3.488 0 40 DGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)Nc1cccc(O)c1 95351079 AYTMJWLECLTGEU-CMDGGOBGSA-N 309.774 3.458 0 40 DGAB Cc1cccc(NC(=O)CCSCc2ccccn2)c1O 95443697 IWIGWNIVYQIELC-UHFFFAOYSA-N 302.399 3.358 0 40 DGAB CCc1nncn1CCN[C@H](C)c1ccccc1C(F)(F)F 95968733 WVSHBAJWBRPMOC-LLVKDONJSA-N 312.339 3.210 0 40 DGAB CN(Cc1ccc(C(=O)N(C)C)[nH]1)Cc1c(F)cccc1Cl 95982290 AXCSSCPQPLFCOG-UHFFFAOYSA-N 323.799 3.141 0 40 DGAB Cc1ncccc1CN[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 95988577 SDARCUPRKCHXFG-DLBZAZTESA-N 304.340 3.288 0 40 DGAB COc1ccc(CCC(=O)NC[C@H](OC)c2ccsc2)cc1 96097391 MGVBHCVNHTVCSO-INIZCTEOSA-N 319.426 3.193 0 40 DGAB c1coc(CN2CCC3(CCOC[C@H]3COCC3CC3)CC2)c1 96106453 KSTYHTLGGVRPLJ-KRWDZBQOSA-N 319.445 3.325 0 40 DGAB Cc1ccccc1CNC1CCN(CCc2ccncc2)CC1 96402786 KMLBFEZWBBGBMM-UHFFFAOYSA-N 309.457 3.187 0 40 DGAB Cc1nn(C)cc1C(=O)Nc1cccc(Oc2ccccn2)c1 96433221 GQQSPNHJMFRZHZ-UHFFFAOYSA-N 308.341 3.168 0 40 DGAB COC[C@H](C)CN(C)C(=O)c1ccc2ccc(Cl)cc2n1 96460173 GTRKWSNFRBHGRT-LLVKDONJSA-N 306.793 3.243 0 40 DGAB CC[C@H](NC(=O)N1CCC[C@H]2CN(C)CC[C@@H]21)c1cccs1 97049223 KXKHZAAAJIBRJR-KKUMJFAQSA-N 321.490 3.325 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1C[C@@H](c2ccsc2)C[C@@H]1C 97230957 KCNZHRHAXNSHHT-JSGCOSHPSA-N 323.458 3.432 0 40 DGAB C[C@@H](NC(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@@H]2CC[C@@H]1C2 101488433 IMJGMASRFMEFGF-RGCMKSIDSA-N 301.386 3.012 0 40 DGAB O=C(CCn1cccn1)N[C@H](c1ccc(F)cc1)C1CCC1 104425683 GKRYAWGAXVDQSX-KRWDZBQOSA-N 301.365 3.070 0 40 DGAB C[C@@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@@](C)=O 108372309 RBUMWEATONXZAT-KUUHDYPXSA-N 307.459 3.180 0 40 DGAB COc1cccc(OC)c1C(=O)N(C)Cc1ccccc1F 193193232 VAAQZDOCUUJRGO-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB COc1cccc2cc(C(=O)NC[C@H](OC)c3ccco3)oc12 206860976 JFKYZNUDOVESQC-HNNXBMFYSA-N 315.325 3.152 0 40 DGAB Cc1ccc(CCC(=O)NCCN(C)c2ccccc2)cc1C 223083445 GKAHVWVIUWPMOC-UHFFFAOYSA-N 310.441 3.489 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)Cc2ccc(F)cc2)c1 224111885 XPGWJSNNBYJMCO-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CCCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NCC 224179450 GUCOQWAEXGGUJE-MRXNPFEDSA-N 304.434 3.038 0 40 DGAB Cc1ccc(NC(=S)NCC(C)C)cc1N1CCCC1=O 225276502 BTZCJBYFZVXRQE-UHFFFAOYSA-N 305.447 3.064 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@@H](CCN3Cc3nccs3)C2)o1 248073885 GXHKPNLWTZSUHT-HOCLYGCPSA-N 317.458 3.141 0 40 DGAB Cc1cccc(N2CCC[C@@H](N(C)Cc3csc(C)n3)C2)n1 257246312 ITOHBXGISWXQGS-MRXNPFEDSA-N 316.474 3.256 0 40 DGAB CC(=O)NCc1cccc([C@@H]2CCCN2CC2CCCCC2)n1 257257547 KQBOSTPEZGAJCE-IBGZPJMESA-N 315.461 3.435 0 40 DGAB Cc1ccc(NC(=O)CN2CCC3(CC2)COC(C)(C)C3)cc1 257304883 SNMZLXLNKWJIHV-UHFFFAOYSA-N 316.445 3.215 0 40 DGAB O=C(O)[C@H]1CC[C@H](C(=O)N(CC2CCC2)CC(F)(F)F)CC1 262684208 BTSWLXNBWCXCGS-HAQNSBGRSA-N 321.339 3.068 0 40 DGAB c1ccc(N2C[C@H]3CN(c4cnc5ccccc5n4)C[C@@H]3C2)cc1 550318443 VQNCRDINFIVCLK-HOTGVXAUSA-N 316.408 3.202 0 40 DGAB CCc1ncncc1C(=O)N1C[C@H]2CCCCN2c2ccccc21 563178549 AOGIGJUGASSXPW-CQSZACIVSA-N 322.412 3.058 0 40 DGAB COc1ccc(CCNC(=O)[C@H](CC(C)C)n2cccc2)cc1 575443547 OLNPAWLHTRSQES-SFHVURJKSA-N 314.429 3.443 0 40 DGAB O=C(CSC1CCCC1)N1CCC[C@@H](Oc2ccncc2)C1 575608356 XYWQLUBDWPUKHO-OAHLLOKOSA-N 320.458 3.127 0 40 DGAB COCC[C@@H]1CCOC12CCN(Cc1cccc(F)c1)CC2 585104284 GREBRLIPQFWZSQ-MRXNPFEDSA-N 307.409 3.233 0 40 DGAB C[C@@H](C1CC1)N(C(=O)c1cnc(Br)s1)C1CC1 585125782 FLFNNCOFCLCNQR-ZETCQYMHSA-N 315.236 3.309 0 40 DGAB Cc1ccc([C@H](O)c2ccccn2)cc1NCc1nn(C)cc1C 1560470712 FSYNVKZWVVLRNK-IBGZPJMESA-N 322.412 3.126 0 40 DGAB Nc1cc2c(Br)cc(Br)cc2cn1 1848350256 HLYPZVXJZFTSHC-UHFFFAOYSA-N 301.969 3.342 0 40 DGAB CC(C)c1nnc(SCC(=O)Nc2ccccc2Cl)n1C 413071 LDUDRZNOOLAYDD-UHFFFAOYSA-N 324.837 3.323 0 40 DGAB O=C(O)CS[C@H](Nc1ccccc1C(=O)O)c1ccccc1 1608946 SQHWCKCVJMCALY-HNNXBMFYSA-N 317.366 3.313 0 40 DGAB CCCCc1cc(=O)oc2c(C)c(O[C@H](C)C(=O)OC)ccc12 2479755 QWYOPMLLBBCOTP-GFCCVEGCSA-N 318.369 3.384 0 40 DGAB CSc1ncccc1C(=O)NCCc1ccc(Cl)cc1 2653588 TVYFMVIQPQWQOZ-UHFFFAOYSA-N 306.818 3.429 0 40 DGAB CCn1cc(CN(C)C(=O)c2cc(-c3ccc(C)cc3)on2)cn1 2797797 VEKPLAWYPODWKP-UHFFFAOYSA-N 324.384 3.139 0 40 DGAB O=C(CCc1ccccc1O)NCCOc1ccccc1Cl 3151123 PHPCOMVMHMCDIJ-UHFFFAOYSA-N 319.788 3.173 0 40 DGAB COc1ccc(Br)c(C(=O)NCCC(C)C)c1 3432722 KXUUMDSMNSDKSF-UHFFFAOYSA-N 300.196 3.234 0 40 DGAB COc1ccc(OC)c(-c2nn(-c3ccccc3)cc2C=O)c1 3887941 CAULXXFRRNKBET-UHFFFAOYSA-N 308.337 3.369 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2ccncc2)cs1 4063227 GTZRWNTWJYHRKN-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB CC(C)[C@H](NC(=O)c1ccccc1Cl)c1n[nH]c(=S)n1C 6190689 CSGRIJOOFQTMAT-NSHDSACASA-N 324.837 3.258 0 40 DGAB CC[C@H](OC[C@@H](O)CN1C[C@@H](C)C[C@@H](C)C1)c1ccccc1 6355967 NKYWMAGCRMHOMJ-NBMJBFSESA-N 305.462 3.493 0 40 DGAB Cc1cc(C)c(C(=O)CN2C(=O)c3ccccc3C2=O)cc1C 6383781 LZZUARRVECPUPA-UHFFFAOYSA-N 307.349 3.091 0 40 DGAB O=C(Cc1ccccc1F)Nc1cccc(N2CCCC2=O)c1 6988122 YMBKNDUITNDEAJ-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB CN(CC(=O)NCCc1cccc(Cl)c1)Cc1ccsc1 7806382 ZYVIUFLKRIYXDF-UHFFFAOYSA-N 322.861 3.192 0 40 DGAB Cc1cc(C(=O)Cn2c(=O)cnc3ccccc32)c(C)n1C1CC1 8183902 FEPLJPMLUVOWEY-UHFFFAOYSA-N 321.380 3.033 0 40 DGAB COc1cc(C=O)c(Br)cc1OCc1cccnc1 8702336 YLTCWFAWJPLZQJ-UHFFFAOYSA-N 322.158 3.244 0 40 DGAB Cc1c(-c2ccccc2)sc2ncnc(N3CCN(C)CC3)c12 8878584 VLULKZMTQBBEHQ-UHFFFAOYSA-N 324.453 3.419 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1cccc(Cl)c1N 8919285 XSWRRHPLGZALDJ-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB COc1ccc2c(CC(=O)N[C@@H](C)c3ccccn3)coc2c1 9320189 SLEUGSJRTRBEOT-LBPRGKRZSA-N 310.353 3.256 0 40 DGAB COC(=O)Nc1sc(NC(=O)C2CC2)nc1-c1ccccc1 9420481 DRBWDOQYNACKCR-UHFFFAOYSA-N 317.370 3.337 0 40 DGAB COc1cc([C@H]2NC(=O)c3ccccc3N2)ccc1OC(C)C 9516520 NXDCHYIAZPSHIY-QGZVFWFLSA-N 312.369 3.337 0 40 DGAB O=S(=O)(N[C@H]1CCc2ccccc21)c1ccccc1Cl 10752594 GFEHFDOECZGVKB-AWEZNQCLSA-N 307.802 3.306 0 40 DGAB C[C@@H](CNC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1 13005848 ISEWNIPJKWGSSC-ZDUSSCGKSA-N 306.365 3.062 0 40 DGAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)Nc1ccccc1 13007131 DEOFYGJHBLWPFA-UHFFFAOYSA-N 316.411 3.308 0 40 DGAB COc1ccccc1OCCC(=O)Nc1nc(C)c(C)s1 14016379 ZEUZLJMUPDZRLV-UHFFFAOYSA-N 306.387 3.176 0 40 DGAB O=C(CN1CCC[C@H](C(F)(F)F)C1)Nc1ccc(F)cc1F 14139837 NWOFWFVXYZZNBY-VIFPVBQESA-N 322.277 3.178 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1C 15823347 UJPXTCQTCRAEJL-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)c2ccc3ccccc3n2)cc1 16013533 KQYIMHPYYFXWAS-UHFFFAOYSA-N 319.364 3.189 0 40 DGAB Cc1cc(N2C(=O)[C@H]3CC[C@H](c4ccccc4)C[C@@H]3C2=O)no1 18243913 GYBNSBLUKWPBKZ-KKUMJFAQSA-N 310.353 3.056 0 40 DGAB C[C@@H](OC(=O)c1cc2sc3ccccc3c2s1)C(N)=O 18655784 LFIUDLCEIWVJDN-SSDOTTSWSA-N 305.380 3.147 0 40 DGAB CCCC(=O)N[C@@H](N1CCCCC1)C(Cl)(Cl)Cl 19228699 WFPLSWOWJYPGHS-JTQLQIEISA-N 301.645 3.085 0 40 DGAB CCn1c(C)nc2cc(NC(=O)C[C@@H]3CCCCO3)ccc21 19657639 DHTBKXBRIULYHK-AWEZNQCLSA-N 301.390 3.262 0 40 DGAB CCOCCOc1ccc(C(=O)Nc2ccc(N)cc2C)cc1 19736766 JODPDEIDEQGKQF-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB O[C@H](CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12 19939948 PZKBVQZFRLKVQZ-HXUWFJFHSA-N 321.424 3.024 0 40 DGAB NC(=O)c1ccc(-c2ccc(Cl)cc2Br)o1 20160496 GPOIVKATVMVAJM-UHFFFAOYSA-N 300.539 3.461 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2cccc(F)c2)cc1 23001797 BQVZPMUNXXOVHZ-UHFFFAOYSA-N 300.377 3.254 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCC[C@H](C(F)(F)F)C1 24183218 OCZPQIDMJJFXHJ-VIFPVBQESA-N 307.699 3.460 0 40 DGAB CNC(=O)c1ccc(C)c(NC(=O)c2cc3ccccc3[nH]2)c1 24922088 AFRUBAXZPLMKPQ-UHFFFAOYSA-N 307.353 3.088 0 40 DGAB CCn1nc(C)cc1NC(=O)c1ccccc1Br 32647658 IDQRZBUHNWXOGG-UHFFFAOYSA-N 308.179 3.226 0 40 DGAB C[C@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1ccccc1 33145115 JJXCNVYEIHPTRT-LBPRGKRZSA-N 301.390 3.177 0 40 DGAB Cc1nc(-c2cccc(OCC(=O)Nc3ccccc3)c2)no1 33327465 VPTNLYHYPXKFBY-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB O=C(O)[C@@H]1CCCN(CCOc2ccc(Cl)cc2Cl)C1 35296856 CCHFPKAFXPRSHG-SNVBAGLBSA-N 318.200 3.169 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(CN)cc1 37811723 RATNHEGMJNMKBH-OAHLLOKOSA-N 300.427 3.356 0 40 DGAB CN(CCOc1ccc(Cl)cc1)C(=O)/C=C/c1ccco1 40159672 NPFOBRNOGJNRQT-CMDGGOBGSA-N 305.761 3.484 0 40 DGAB Cc1noc([C@H](C)S(=O)(=O)Cc2ccc(C(C)(C)C)cc2)n1 40528428 VXYFOAIWXATWPD-NSHDSACASA-N 322.430 3.352 0 40 DGAB COc1ccc(C(=O)NCCn2ccc3c(OC)cccc32)cc1 40819830 SABUZWUBCLLWPO-UHFFFAOYSA-N 324.380 3.089 0 40 DGAB Cc1nc(-c2c[nH]c(C(=O)NCc3ccc(O)cc3)c2)cs1 43485122 IHEQFDNRVDIHJW-UHFFFAOYSA-N 313.382 3.082 0 40 DGAB CCn1nc(-c2nn3c(-c4ccccc4)nnc3s2)cc1C 44921831 ITYHIIYIQTVSFS-UHFFFAOYSA-N 310.386 3.045 0 40 DGAB Cc1cc(C(=O)c2cccc(I)c2)ccn1 45038493 WIINDMGMPGKMMB-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB O=C(Nc1ccc(F)cc1Br)N1CCSCC1 48451512 WHGMTTUITNNVQR-UHFFFAOYSA-N 319.199 3.169 0 40 DGAB O=C(NCc1ccc(F)cc1Cl)c1n[nH]c2c1CCCC2 51319467 AAMMPTPGWDLTNR-UHFFFAOYSA-N 307.756 3.011 0 40 DGAB CCC(CC)(CNC(=O)N[C@@H](C)Cc1ccsc1)N(C)C 52528931 KLHVUNMJOFWVRE-ZDUSSCGKSA-N 311.495 3.099 0 40 DGAB Cc1ccccc1OCCNC(=O)Cc1ccc(Cl)cc1 55954497 GHTZYFFJASIZLP-UHFFFAOYSA-N 303.789 3.386 0 40 DGAB C[C@H](NCc1cccc(Cl)c1)C(=O)NCc1ccccc1 57024406 KANDBVPCKLDAQT-ZDUSSCGKSA-N 302.805 3.135 0 40 DGAB COc1nc(C(=O)N[C@H](C)c2ccccn2)cc2ccccc12 58215408 WANXDHGNXGRIRM-GFCCVEGCSA-N 307.353 3.129 0 40 DGAB CS(=O)(=O)Cc1ccc(NC(=O)NC2CCCCCC2)cc1 58461588 CMLXUBHNALMXSN-UHFFFAOYSA-N 324.446 3.076 0 40 DGAB O=C(CCOCC(F)(F)F)NCc1ccc(F)c(Cl)c1 60353433 RUDBRDKAUGBLIW-UHFFFAOYSA-N 313.678 3.064 0 40 DGAB c1ccc(OCCCN2CCN(Cc3cccs3)CC2)cc1 60995802 OIONGMVWOLKNAN-UHFFFAOYSA-N 316.470 3.335 0 40 DGAB Cc1nccn1CCCNC(=O)C[C@H](C)CCc1ccccc1 63656021 MBYFHJLTQQHWCU-MRXNPFEDSA-N 313.445 3.357 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)Nc1nc2ccccc2s1 65529553 MSPAREVTIPAGKX-NSHDSACASA-N 305.403 3.187 0 40 DGAB CN(C(=O)CSc1ccnc2ccccc12)c1nccs1 68053728 CZGLUYMPAMACJS-UHFFFAOYSA-N 315.423 3.446 0 40 DGAB CC(C)(C)OCCN(Cc1cccc(O)c1)C1CCC(O)CC1 68973025 INXSHOFZDOEMCW-UHFFFAOYSA-N 321.461 3.313 0 40 DGAB COc1cccc(NC(=O)N[C@H](C)[C@@H](O)c2ccc(F)cc2)c1 69769754 NXGNYJWHQYDPAX-BDJLRTHQSA-N 318.348 3.078 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 69874497 JTAHLBRKUNFCQH-CABCVRRESA-N 304.434 3.074 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)CC(C)(C)C 71916542 DZTZOYKTGLMZSK-UHFFFAOYSA-N 321.446 3.277 0 40 DGAB CCCCc1noc([C@H](C)N[C@H]2CCCc3c2cnn3CC)n1 76047057 DBAKDGRZWHNNNV-JSGCOSHPSA-N 317.437 3.357 0 40 DGAB Cc1csc([C@H](NC(=O)NCc2c(C)noc2C)C2CC2)n1 76086397 MBLRNRACDCYVLY-CYBMUJFWSA-N 320.418 3.007 0 40 DGAB C[C@]1(c2ccccc2)CCCN(C(=O)NCc2nccs2)C1 79098475 WGZDQRAYXYTXGH-KRWDZBQOSA-N 315.442 3.406 0 40 DGAB CCn1cc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)cn1 83843574 UALRWTJEZFIUCU-CQSZACIVSA-N 309.417 3.248 0 40 DGAB Cc1cc(Cl)c(NC(=O)N(C)CC[C@H](C)O)c2cccnc12 84076958 KEPLGKMKMCMPGS-NSHDSACASA-N 321.808 3.431 0 40 DGAB O=C(CCOC1CCOCC1)N1CCCc2cccc(Cl)c21 84540194 UESUUZHQNGZFIO-UHFFFAOYSA-N 323.820 3.205 0 40 DGAB C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 84637108 GDFRPGJCGWULAS-KBXCAEBGSA-N 320.392 3.477 0 40 DGAB O=C(N[C@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCOC1 88262922 SBDISEIDECPEAX-SJLPKXTDSA-N 313.372 3.458 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 89996890 RYOWLCNCKSFXIC-JKSUJKDBSA-N 318.804 3.417 0 40 DGAB CC[C@@H](O)c1ccc(OCc2ncn(-c3ccccc3)n2)cc1 92314863 RPFRHCDVZJBBBT-QGZVFWFLSA-N 309.369 3.290 0 40 DGAB CCn1c(NC(=O)Cc2cccnc2)nc2cc(Cl)ccc21 92570344 VYJZSSCYTCSZEX-UHFFFAOYSA-N 314.776 3.286 0 40 DGAB COc1cccc(C2=NN(C(C)=O)[C@H](c3cccc(O)c3)C2)c1 95115972 LKPRKAOZRJNDPW-SFHVURJKSA-N 310.353 3.098 0 40 DGAB c1ccc(-c2noc(NCc3ccc4c(c3)OCCO4)n2)cc1 95397025 FAGAJLXNIKXQDF-UHFFFAOYSA-N 309.325 3.120 0 40 DGAB C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1ccncc1Cl 95430449 HDWRHPGJJXGEQV-NSHDSACASA-N 304.777 3.144 0 40 DGAB CC(C)COc1ccc(CNc2cccnc2-n2cncn2)cc1 95943646 UOWGGRBUNUUTBE-UHFFFAOYSA-N 323.400 3.309 0 40 DGAB COC(=O)[C@H](C)CN(Cc1ccc(OC(C)C)cc1)C1CC1 95963734 MFBREHNJOAWSFQ-CQSZACIVSA-N 305.418 3.247 0 40 DGAB Cc1ccc(NC(=O)NC2(C)CCC2)cc1O[C@H]1CCOC1 95974363 LRTGMGQEEAPEMB-AWEZNQCLSA-N 304.390 3.227 0 40 DGAB Cc1nn(C)c(C)c1CNc1cnn(-c2ccccc2F)c1C 95995854 NHTCAJQFILHSCY-UHFFFAOYSA-N 313.380 3.282 0 40 DGAB c1cncc(COC[C@]23CCCO[C@@H]2CCN(C2CCC2)C3)c1 96040149 ZBFGURHVZVHBQB-RTBURBONSA-N 316.445 3.022 0 40 DGAB c1cnn(-c2ccc(OCc3noc(-c4ccoc4)n3)cc2)c1 96414760 IVSSCWRNDWERMP-UHFFFAOYSA-N 308.297 3.094 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)n1 96432881 ATMCEPFAQIECFH-AEFFLSMTSA-N 310.397 3.118 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)Nc1cc(C(C)(C)C)on1 96434600 ABHOCILMQUFANA-UHFFFAOYSA-N 319.409 3.146 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)ccc1F 97032932 ZRAIWOHTSNZSFB-CYBMUJFWSA-N 307.365 3.097 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)NCCOc2ccccc2)cc1C 224602519 SBOOOCHNUPDCGZ-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCOc1ccc(N(CC)S(=O)(=O)c2cccs2)cc1 225124654 PDNYLJFILCRHQM-UHFFFAOYSA-N 311.428 3.362 0 40 DGAB CCOc1ccccc1Nc1ccc(N)cc1C(=O)NC1CC1 225479347 WJBIVNJRXPUOJN-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1F 225633515 YFFKWMLFZOAUAJ-NTKGCBCNSA-N 305.736 3.181 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2cccc(F)c2)C1 225728367 VDBOTHRHRAPMRI-ZIAGYGMSSA-N 323.481 3.480 0 40 DGAB c1ccc(CO[C@H]2CN(Cc3ccoc3)Cc3cccn3C2)nc1 247959812 NWZJRUHUQUNOEP-IBGZPJMESA-N 323.396 3.077 0 40 DGAB O=C(c1ccoc1)N1CCC(Oc2ccncc2Cl)CC1 253472503 MUEVGTPDQPEWFL-UHFFFAOYSA-N 306.749 3.012 0 40 DGAB CC1(c2ncc(Cl)s2)CCN(Cc2cnccn2)CC1 257209136 BPEFLWUHIYITOW-UHFFFAOYSA-N 308.838 3.140 0 40 DGAB Cc1cc2cc(C(=O)N3CCC[C@H]3c3ccnc(O)n3)ccc2o1 257237770 HICDUPHVLSZCKN-HNNXBMFYSA-N 323.352 3.214 0 40 DGAB Cc1ocnc1C(=O)N1CC[C@H](Cc2ccnc3ccccc23)C1 257261837 LIYTXGYKBZOMAI-CQSZACIVSA-N 321.380 3.236 0 40 DGAB N[C@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 261637912 HYZZGQJOAHUDLM-OALUTQOASA-N 321.424 3.048 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1cc(Cl)ccc1Br 379841138 BSHWRFXOUAQTAK-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB Cc1cccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)c1 409221536 RQIKWDIRHQMOMG-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@]2(C)Cc2cccc(F)c2)cnn1 568515684 BRTPEIUGTHSQBI-SFHVURJKSA-N 313.376 3.162 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@H](O)C[C@H]1c1cccc(F)c1 572505456 BYASHJVVAQUUKN-MSOLQXFVSA-N 324.355 3.027 0 40 DGAB Cc1[nH]nc(-c2ccccc2)c1NC(=O)c1cnc2ccccn12 574859244 AGOKUHCCZUUFND-UHFFFAOYSA-N 317.352 3.285 0 40 DGAB O=C(/C=C/c1ccccc1)NCC[C@@H](CCO)c1cccs1 575608282 RTXNYSIMCBWHRN-FDMDGMSGSA-N 315.438 3.434 0 40 DGAB Cc1nc(-c2cc(NC(=O)C(F)F)cc(C(F)(F)F)c2)n[nH]1 585087326 OCXNJHFZPZBASD-UHFFFAOYSA-N 320.221 3.003 0 40 DGAB CC(C)(C)C(=O)NC1CCN(Cc2cc(F)cc(F)c2)CC1 1004020279 BEZYYFLEFUOTTH-UHFFFAOYSA-N 310.388 3.092 0 40 DGAB CNC1CCC2(CC1)CN(C(C)C)C(=O)c1cc(C)ccc1O2 1615125287 YPUSTQLYBQPIOJ-UHFFFAOYSA-N 316.445 3.139 0 40 DGAB CC(=O)Nc1nc([C@H]2CCCCN2Cc2cscn2)cs1 1615189382 LBXOIPRZLIPHJF-CYBMUJFWSA-N 322.459 3.285 0 40 DGAB Cn1cc(CNCC2(c3ccccc3)CC2)c(-c2cccnc2)n1 97159963 UADXJXWTXBNHRE-UHFFFAOYSA-N 318.424 3.304 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2c(C)nc3ccccn23)cc1 928581 YCHSNCZCDDQUTG-UHFFFAOYSA-N 322.368 3.244 0 40 DGAB COc1ccccc1OCC(=O)Nc1cccc(SC)c1 3608587 RHWNZJDQCMTOQC-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB COc1ccccc1CNC(=O)CCOc1cc(C)ccc1C 6288784 FQAKDSJGPVSNCF-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB Cc1cccc(CNC(=O)[C@@]2(C)CC[C@H](C(=O)O)C2(C)C)c1 6924228 FTOLYKSXUQMANK-RDTXWAMCSA-N 303.402 3.138 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cn1 12521674 KINTUGXAPCUILR-UHFFFAOYSA-N 311.385 3.333 0 40 DGAB Cc1ccc(C)n1NC(=O)c1cccc(NC(=O)c2ccco2)c1 8475638 BDQDIIBOOITMOV-UHFFFAOYSA-N 323.352 3.334 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(-n2cccc2)cc1 12531537 GSEIZRCTNGCRBL-UHFFFAOYSA-N 302.337 3.211 0 40 DGAB O=C(NCCn1ccnc1)N[C@H](c1cccs1)C1CCCC1 43311048 BUGDYOZPSJAUKG-HNNXBMFYSA-N 318.446 3.175 0 40 DGAB Cc1cc(NC(=O)N2CCC(Cc3ccccc3)CC2)n(C)n1 43435569 JGOISQITJJTHJY-UHFFFAOYSA-N 312.417 3.215 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1c1cccc(F)c1 55863130 YFFCKQCASSBQOZ-INIZCTEOSA-N 302.349 3.337 0 40 DGAB O=C(O)CCCc1nnc(-c2ccc(Cl)cc2Cl)o1 37729324 FEPZCFXCIXMZHY-UHFFFAOYSA-N 301.129 3.451 0 40 DGAB in-vitro O=C(CSc1ccncc1)NCCSCc1ccccc1 25690271 NOJJJIGXFLZUHM-UHFFFAOYSA-N 318.467 3.223 0 40 DGAB O=C(NCCOc1ccccc1)c1cc(-c2cccs2)on1 25645185 VCADIRJFLWJOCY-UHFFFAOYSA-N 314.366 3.212 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)N[C@H]2CCCc3occc32)C1 107496877 WMUVOEYLTGTTGR-HOCLYGCPSA-N 319.449 3.077 0 40 DGAB O=C(Nc1cc(Cl)ccc1NC1CC1)[C@@H]1C[C@H]2CC[C@H]1O2 107589384 FRJCDBVPNLUYPZ-LALPHHSUSA-N 306.793 3.420 0 40 DGAB CCCOC(=O)[C@H](C)Oc1ccc2c3c(c(=O)oc2c1)CCC3 1778840 CFIUNVWMENNPLU-NSHDSACASA-N 316.353 3.002 0 40 DGAB Cc1nc(NC(=O)CCSCc2ccccn2)sc1C 58226287 ODFVVTLAPXLZLE-UHFFFAOYSA-N 307.444 3.417 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)OCc2ccccc2)C1 58359284 PCDSVOCCBYCHPQ-OAHLLOKOSA-N 319.401 3.377 0 40 DGAB COc1cc(CN(C)C(=O)NCc2ccco2)ccc1SC 58483362 VLVSCBKHGSSPGN-UHFFFAOYSA-N 320.414 3.352 0 40 DGAB C[C@@H]1CCCC[C@]12NC(=O)N(Cc1cccc(Cl)c1)C2=O 3374681 BDGQCEFIPMUGPQ-BZNIZROVSA-N 306.793 3.341 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2ccc(Cl)cc2)cn1 3360391 IAPZVBNHOVAVIP-UHFFFAOYSA-N 318.760 3.345 0 40 DGAB C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1cccc2cccnc12 2465270 WUCZJWOHLQHBKD-CYBMUJFWSA-N 324.405 3.375 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)Sc2nnc(CC)[nH]2)cc1 11711625 NXHPUHRUXIXAGN-SNVBAGLBSA-N 304.419 3.049 0 40 DGAB O[C@@H](CN[C@@H]1C[C@@H]2CC[C@@H]1C2)COc1cccc2ccccc12 104148950 BVGSRENJZPUAPS-VYCZESIESA-N 311.425 3.358 0 40 DGAB O=C(Cc1ccccc1)Nc1nc(-c2cccs2)ns1 11914343 JZPVLSPOFBBHDN-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB COc1c(C)cc(S(=O)(=O)NCc2ccccc2)c(C)c1C 12042865 ZGALZRFFGKBKLE-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB CC(C)C(=O)Nc1cccc(CNC(=O)c2ccccc2F)c1 12928263 KETSIYSFLLSEBK-UHFFFAOYSA-N 314.360 3.350 0 40 DGAB CC(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(C)[C@@H](C)C[S@](C)=O)cc1 96012184 WWPJWRGNIHAZGL-ROWOMKEUSA-N 321.486 3.139 0 40 DGAB COc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3nc(N)nn32)c1 13131961 ZPYRNJDYCDSVDN-CVEARBPZSA-N 321.384 3.015 0 40 DGAB aggregator C[C@@H](CCc1cccc(F)c1)NCc1cc(C(N)=O)cs1 95427544 ARTFSPYINPPLTD-NSHDSACASA-N 306.406 3.097 0 40 DGAB Cc1ccc(NC(=O)CN2CCCCC2)c2c1CC(C)(C)O2 4110192 UIENMNKSUFAWEB-UHFFFAOYSA-N 302.418 3.133 0 40 DGAB Cc1noc(C)c1CN(C)Cc1ccn(-c2cccc(F)c2)n1 64556711 FLBWRMMFVVVMCQ-UHFFFAOYSA-N 314.364 3.248 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3)cc2NC1=O 9364929 RZSHOPRWXZETNU-PMDBQALLSA-N 308.337 3.058 0 40 DGAB O=C(O)C1=C(C(=O)NC23CC4CC(CC(C4)C2)C3)CCCC1 9435015 KKVBCNLNJMBKHD-UHFFFAOYSA-N 303.402 3.027 0 40 DGAB CC(C)c1nn(C)c(N(C)C)c1CN[C@@H]1CCc2ccccc21 65517659 DPELFOWAEZNZAH-QGZVFWFLSA-N 312.461 3.387 0 40 DGAB COC(=O)c1ccc(OCc2cc(F)ccc2OC)c(OC)c1 14316325 JIRNSFNBBGASHV-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB FC(F)Oc1ccc2c(c1)CCC[C@H]2NC(=S)NC1CC1 84490031 VOSWFAAJWFZQCS-CYBMUJFWSA-N 312.385 3.292 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H](n3ccnc3)C2)c(C)o1 71796466 QMDDBZLWEBXXAH-DZGCQCFKSA-N 301.390 3.060 0 40 DGAB COc1ccc(C(=O)Nc2cc(OC)c(OC)cc2C)cc1 5616765 YYOLNZHAIZFNGB-UHFFFAOYSA-N 301.342 3.273 0 40 DGAB Cc1nc(SCC(=O)Nc2cc(Cl)ccc2O)oc1C 19849902 VMZXILJSLYLONG-UHFFFAOYSA-N 312.778 3.381 0 40 DGAB Cc1cccc(-c2nc(CC(=O)Nc3cc(C)n[nH]3)cs2)c1 80122808 VRABURCRPXZUNQ-UHFFFAOYSA-N 312.398 3.331 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(F)c(F)c1)c1cccs1 7308934 CJFXQNBYKVIGOB-MRVPVSSYSA-N 303.355 3.066 0 40 DGAB O=C(O)c1cc(C(F)(F)F)nn1Cc1ccc(F)cc1Cl 408717727 QKEGIHWBFPFFFC-UHFFFAOYSA-N 322.645 3.441 0 40 DGAB CC1CCN([C@@H](CNC(=O)c2ccccc2)c2ccco2)CC1 15860053 QTZXADYSOWFYOY-KRWDZBQOSA-N 312.413 3.483 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 15860015 IXQIFFLCWIYUAH-MRXNPFEDSA-N 316.376 3.376 0 40 DGAB CCOc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC)c2C)cc1 7654304 MYNDLGQFGORXQS-UHFFFAOYSA-N 316.357 3.069 0 40 DGAB CC(=O)c1cccc(NC(=O)NCc2cn3c(C)cccc3n2)c1 69037529 QTFGRGCFOVHYOP-UHFFFAOYSA-N 322.368 3.167 0 40 DGAB O=C(c1cnccn1)N1CCC[C@@H](c2nc3ccccc3s2)C1 8104788 VEBPYINRZLVGIE-GFCCVEGCSA-N 324.409 3.106 0 40 DGAB CCn1c(CN[C@H](C)[C@@H](C)n2cccn2)nc2cc(F)ccc21 70018031 RUMYZRYSMCYEJT-CHWSQXEVSA-N 315.396 3.131 0 40 DGAB COc1cc(F)ccc1NC(=O)N[C@@H](C)c1nc(C)cs1 69647592 NKEOGSNQKZGSSO-VIFPVBQESA-N 309.366 3.482 0 40 DGAB Cc1cc(S(=O)(=O)N2CCC[C@@H]2c2cccnc2)ccc1F 69631808 HTPXJWRUVGZCJR-MRXNPFEDSA-N 320.389 3.055 0 40 DGAB COCCCCC[S@@](=O)c1cc2c(cc1Cl)OCCO2 95426040 PVWJRZRWAWRKKA-FQEVSTJZSA-N 318.822 3.036 0 40 DGAB CCc1ncc2c(n1)CN(Cc1nc3ccccc3s1)CC2 69899170 PYLIJEMNNVMQFG-UHFFFAOYSA-N 310.426 3.207 0 40 DGAB O=C(N[C@H](CN1CCCCCC1=O)c1ccccc1)C1CCC1 69844513 VTWXLRSAXYWNOG-QGZVFWFLSA-N 314.429 3.047 0 40 DGAB Cc1c(C(=O)Nc2cc(F)cc(F)c2)cnn1-c1ccccn1 8715144 LDOJIOWUQPAQBE-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB O=C1CN(C(=O)[C@H]2SCCc3ccccc32)c2ccccc2N1 74238681 ISRWXNABMXLDDP-KRWDZBQOSA-N 324.405 3.002 0 40 DGAB CCc1nnc(NC(=O)COc2c(C)ccc(C)c2C)s1 8994636 MTDBVSBWANTSEP-UHFFFAOYSA-N 305.403 3.043 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(CC(=O)c3ccccc3O2)C1 88613745 VXPLDEWVQHLNAA-QGZVFWFLSA-N 303.358 3.031 0 40 DGAB in-vitro CC(C)[C@@H]1C[C@H](CNc2cccc(-c3nc[nH]n3)c2)CCO1 95994933 RXLQMUGXJXNVAG-CJNGLKHVSA-N 300.406 3.335 0 40 DGAB O=C(Nc1ccccc1-n1cncn1)c1cccc2ncccc12 74435802 XHBCXELBSNJVKI-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB COc1cccc(NC(=O)Nc2ccc(C(=O)N(C)C)cc2)c1 113530311 ADSPEVCJYLRVEG-UHFFFAOYSA-N 313.357 3.041 0 40 DGAB 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@@]2(C)O 118927104 RNPQQCQDRWIESD-IWTZFFCZSA-N 320.473 3.320 0 40 DGAB C[C@H]1CC[C@H](OC(=O)CCC(=O)Nc2nccs2)C[C@@H]1C 4654030 QOTJCLZJYOZYKD-SRVKXCTJSA-N 310.419 3.230 0 40 DGAB CC[C@@H]1c2ccsc2CCN1Cc1nc(C(=O)O)cs1 517948000 AIQDDIGYZKSZHD-LLVKDONJSA-N 308.428 3.412 0 40 DGAB Cc1nccn1-c1cncc([C@@H]2CCCN2C2CCCCC2)n1 72378714 DVGZURQMZNEVCL-KRWDZBQOSA-N 311.433 3.440 0 40 DGAB CC(=O)N1CC[C@H](c2nc(C)cc(Oc3ccccc3C)n2)C1 72383531 LOYZYAHSTTXDSZ-HNNXBMFYSA-N 311.385 3.222 0 40 DGAB CCC(=O)Nc1ccc2nc(-n3nc(C)cc3C)sc2c1 72229629 UJGIAWPDJZHPBY-UHFFFAOYSA-N 300.387 3.447 0 40 DGAB CC1(C)[C@@H](C(=O)O)[C@H]1C(=O)Nc1nc(-c2cccs2)cs1 71288152 UHLOOCBRNCBVDR-VHSXEESVSA-N 322.411 3.167 0 40 DGAB CCC1(CC)CN(C(=O)CCc2nc(C3CCCC3)no2)C1 561523434 BLNJIJIHMCVGGR-UHFFFAOYSA-N 305.422 3.308 0 40 DGAB CNC(=O)c1cc(N)ccc1N1CCC(Cc2ccccc2)CC1 225485852 SNORHXBHNFOAKE-UHFFFAOYSA-N 323.440 3.088 0 40 DGAB CC(C)Oc1ccc(CNC(=O)Cc2ccc(F)cc2)cc1 45431059 BXIDMUIDYHQMRL-UHFFFAOYSA-N 301.361 3.472 0 40 DGAB Cc1nc2c(NCc3cccc(C(F)(F)F)c3)ncnc2[nH]1 46087807 MWLULFHNEHLUEJ-UHFFFAOYSA-N 307.279 3.292 0 40 DGAB COc1ccc(S(=O)(=O)NCC2=CCCCC2)c(C)c1C 225100951 ALLYKIQQRAWCAM-UHFFFAOYSA-N 309.431 3.091 0 40 DGAB Cc1occc1C(=O)N1CCC(C)(NC(=O)OC(C)(C)C)CC1 225448583 PRKCPGCANWOKQT-UHFFFAOYSA-N 322.405 3.107 0 40 DGAB Fc1ccc(-n2cncc2-c2nc(-c3ccncc3)no2)cc1 193199774 CKELBVHKBHKPCL-UHFFFAOYSA-N 307.288 3.123 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)[C@@H]1C[C@H]1c1ccccc1 96486113 IRHSTXGBFHZAEQ-LSDHHAIUSA-N 316.401 3.175 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@]2(c3ccccc3)CCC(=O)NC2)c1 578515358 BEIYGMQSFHGXTR-HXUWFJFHSA-N 322.408 3.090 0 40 DGAB Cc1nc([C@@H](C)NC(=O)N[C@@H](C)CCc2cccn2C)cs1 96440012 KGAMYWLMIVXDLD-NWDGAFQWSA-N 320.462 3.172 0 40 DGAB c1cnc(N2CCC3(CCN(Cc4ccsc4)CC3)C2)nc1 96046593 LEYSRTADWAGZQP-UHFFFAOYSA-N 314.458 3.031 0 40 DGAB CO[C@H](CNC(=O)c1cc(C2CC2)on1)c1ccc(Cl)cc1 96426594 HOHAKEUXRNWUEA-OAHLLOKOSA-N 320.776 3.323 0 40 DGAB CCc1ccc([C@H]2CCCN2C(=O)CNC(=O)CCC(C)C)o1 96410208 ZBTRWZSEJBHZFW-OAHLLOKOSA-N 320.433 3.058 0 40 DGAB CC(C)(Cc1cccc(Cl)c1)C(=O)NC[C@H](O)c1ccco1 96475268 WNPLOITWEFNGCZ-AWEZNQCLSA-N 321.804 3.352 0 40 DGAB O=C1CC2(CCCCCC2)N(C(=O)C[C@H]2C[C@H]3CC[C@H]2C3)N1 585126099 OJYKGVSIRGIOOB-SOUVJXGZSA-N 304.434 3.169 0 40 DGAB CN(C)c1cc([C@@H]2CCCN2C(=O)Cc2cccs2)ccn1 257317954 VLWSMEQMAKYTGC-HNNXBMFYSA-N 315.442 3.115 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N2CCC[C@H](c3ccccc3)C2)CC1 257226892 FMQDMQUOYGUJQW-SZMVWBNQSA-N 300.446 3.158 0 40 DGAB CN1C(=O)CCCC[C@@H]2[C@@H]1CCN2Cc1ccnc2ccccc12 257239349 HOXLPXIUHFDCEI-RBUKOAKNSA-N 323.440 3.210 0 40 DGAB C[C@H]1C[C@H](NC(=O)NCc2ccc(C3CC3)cc2)C[C@@H](C)O1 252519083 AWQHWIONRRNCEX-FVCICTRLSA-N 302.418 3.319 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccc(C)cc1)CC2 585102975 NJLOGJKGEXFNKK-SFHVURJKSA-N 303.446 3.403 0 40 DGAB O=C(O)c1c(OCC2CC2)cnc2ccc(Br)cc12 685937025 HJHHJEJBBJRSLQ-UHFFFAOYSA-N 322.158 3.484 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(NC(=O)N[C@H](C)CC)c(C)c1 69202048 ZAZODLYPWQBDRP-QWHCGFSZSA-N 305.422 3.443 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1nc(-c2cccs2)oc1C 48429217 KPDQMMCXALVBMA-LBPRGKRZSA-N 320.414 3.210 0 40 DGAB C[C@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)C1 12184621 NTZLWGRJIZONOZ-ZDUSSCGKSA-N 321.384 3.430 0 40 DGAB COc1ccccc1C(=O)NCCc1ccc(OC(F)F)cc1 15098334 OOQPRAWRURPZPA-UHFFFAOYSA-N 321.323 3.269 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1cccc(F)c1 24015089 ZFIZTZLAZANJQX-CQSZACIVSA-N 315.373 3.140 0 40 DGAB COc1ccc(Br)cc1CNCCc1ccccn1 36804142 VLHGEWKBZDSURC-UHFFFAOYSA-N 321.218 3.185 0 40 DGAB CC1CCN(C(=O)CSc2nnc(-c3ccccc3)o2)CC1 2720267 HYKLGONHGWGMNE-UHFFFAOYSA-N 317.414 3.087 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2nnc(-c3cccs3)o2)cc1 4276219 MLFUJZRSJAPSJW-UHFFFAOYSA-N 313.338 3.253 0 40 DGAB O[C@](CNc1ncnc2ccsc12)(c1cccs1)C1CC1 1775972795 WGKFFLHUGMHJLB-HNNXBMFYSA-N 317.439 3.463 0 40 DGAB CN(C)C1(CNC(=O)CCc2ccc(Cl)cc2)CCCC1 40092707 QECVHQCDTNASEU-UHFFFAOYSA-N 308.853 3.263 0 40 DGAB COc1ccc(C(=O)NC2CCC(C)CC2)c(OC)c1OC 31811646 RJTJATPJCOZQQA-UHFFFAOYSA-N 307.390 3.021 0 40 DGAB C[C@@H](c1nc(C2CC2)no1)N1CCO[C@H](c2ccc(F)cc2)C1 51689177 VOKJAWRLFWVYBF-NHYWBVRUSA-N 317.364 3.221 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(Cl)s1 32817598 BHCWQGDCBDDFAH-LURJTMIESA-N 301.824 3.306 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)OCc2ccccc2C)c1 32957564 BLQJNBWEGOWGLR-UHFFFAOYSA-N 311.381 3.167 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CC[C@H]2CCCC[C@@H]2C1 21972753 LEYHMIKPSSGOAJ-HZPDHXFCSA-N 315.413 3.387 0 40 DGAB CSCc1cccc(C(=O)NCCc2csc(C)n2)c1 22761661 MDKUDLYCENTDAA-UHFFFAOYSA-N 306.456 3.287 0 40 DGAB CC1CCN(S(=O)(=O)c2ccccc2C(F)(F)F)CC1 74711 UKOVBJSTMFARLH-UHFFFAOYSA-N 307.337 3.126 0 40 DGAB O=C(Nc1ccsc1C(=O)O)C(Cl)=C(Cl)Cl 159900 KGEXDTLUONMGRN-UHFFFAOYSA-N 300.550 3.270 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1ccc(C)o1)[C@@H]2C 485611 GPYNTLZMLIHFFR-LLVKDONJSA-N 301.342 3.062 0 40 DGAB biogenic Oc1c(Br)cc(Br)c2c1NCCC2 1440581 FZGZWPXOJFJUMT-UHFFFAOYSA-N 306.985 3.275 0 40 DGAB O=C(O)C(CCc1ccccc1)(CCc1ccccc1)C(=O)O 1748083 LKYFYQXPFFFDCD-UHFFFAOYSA-N 312.365 3.408 0 40 DGAB Cc1nnc2sc(COc3ccc(Cl)cc3Cl)nn12 2203161 NXRKAKKLJSICJE-UHFFFAOYSA-N 315.185 3.380 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1ccc(Cl)nc1 3217270 QZUPMCLOHPKOLP-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CCOC(=O)c1c(-c2ccc(F)cc2)cn2c1SCC2=O 3369768 VIGWGDMFDZJIRF-UHFFFAOYSA-N 305.330 3.217 0 40 DGAB COc1ccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)cc1 3606640 IMSYRJLNTAHAFG-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB COc1cccc(C(=O)OC[C@@H]2CCCN3CCCC[C@H]23)c1 4028167 OTJMFCGEWMTQCE-DOTOQJQBSA-N 303.402 3.117 0 40 DGAB biogenic Cc1cc(C)n(S(=O)(=O)c2ccc(Cl)cc2Cl)n1 4076645 PWVYFBFPAMAPDT-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB O=C(O)c1cccc(CSc2nnc(-c3ccco3)[nH]2)c1 4498461 MAIUGYIHOJMSLA-UHFFFAOYSA-N 301.327 3.055 0 40 DGAB Cc1cc2oc(=O)cc(CSc3nccn3C)c2cc1C 5359213 KXKGDEBTNFIXSN-UHFFFAOYSA-N 300.383 3.436 0 40 DGAB COc1cccc(C(=O)Nc2ccc(C)c(N3CCCC3=O)c2)c1 5440713 PJUNICGTIBJWRG-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB CN(C)CC(=O)N[C@@H]1c2ccccc2CSc2ccccc21 5524844 FSZVYNKALFDSNK-GOSISDBHSA-N 312.438 3.060 0 40 DGAB CC(=O)Oc1cccc2ccc(/C=C/c3ccc[n+](C)c3)nc12 5883429 XVIULEJVUAILNT-CSKARUKUSA-N 305.357 3.155 0 40 DGAB CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)CCCC2 7308259 WGHWHSLJQPKXAG-UHFFFAOYSA-N 315.438 3.386 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c(C)o1 7746450 KGEFZZVTWCTPPL-XEGUGMAKSA-N 307.390 3.137 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1C 8499714 YFVGTNIHPTVDCI-ZDUSSCGKSA-N 313.353 3.438 0 40 DGAB CC(=O)c1c(C)nn(CC(=O)Nc2cc(Cl)ccc2C)c1C 8844820 OGNCKOQKBJVBGN-UHFFFAOYSA-N 319.792 3.303 0 40 DGAB Cc1cc(COC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)on1 9335809 NIOQXRFLBQUFND-UHFFFAOYSA-N 317.732 3.384 0 40 DGAB COc1ccc2c(c1)CC[C@H]([C@@H]1OC(=O)c3ccccc31)C2=O 11691429 FEFXLFJQCQUHKV-FUHWJXTLSA-N 308.333 3.352 0 40 DGAB COc1ccc(CC(=O)NCC2(c3ccc(F)cc3)CC2)cc1 11899715 MGTLIYNECQUARD-UHFFFAOYSA-N 313.372 3.225 0 40 DGAB O=C(NC1(c2ccc3c(c2)OCO3)CCCC1)c1ccccn1 12155514 WQOHQSROBIYMRB-UHFFFAOYSA-N 310.353 3.010 0 40 DGAB CCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C(C)C 12654819 BSHPOTBTBUAWPO-UHFFFAOYSA-N 307.781 3.395 0 40 DGAB CCNC(=O)c1cc2c(C)nn(Cc3ccc(F)cc3)c2s1 12782997 FZBZOVLDLXVUIV-UHFFFAOYSA-N 317.389 3.343 0 40 DGAB COC[C@@H](C)NC(=O)/C=C/c1csc(-c2ccc(F)cc2)n1 12919299 XOLPZBVQUAPLFB-WSKFYRRCSA-N 320.389 3.114 0 40 DGAB Cc1cccc(C(=O)NCc2ccccc2Cn2cccn2)c1C 12928043 QHVKSYOQVLVBNX-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB COc1ccc(C(=O)C[C@@H]2C(=O)Nc3ccccc32)cc1OC 13654722 CRMHRVCULZIVGQ-ZDUSSCGKSA-N 311.337 3.013 0 40 DGAB Cc1ccc(OCCN(C)CC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 15102633 CSYYJUABWPZDKN-FUHWJXTLSA-N 318.461 3.001 0 40 DGAB C[C@H]1CCc2onc(C(=O)NCc3ccccc3Cl)c2C1 20572094 PTCIYJXJGCPCSU-JTQLQIEISA-N 304.777 3.383 0 40 DGAB Fc1ccc([C@@H]2C[C@H](c3cccs3)n3nnnc3N2)cc1 21653302 QALOYDAHLXYTRL-NWDGAFQWSA-N 301.350 3.020 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1ccccn1)N1CCN(C)CC1 22459112 KRNJRVDKYMRTOO-HXUWFJFHSA-N 320.440 3.208 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)Cc1cc(=O)n2ccccc2n1 27558541 OLASCPOUHXEQEC-CYBMUJFWSA-N 311.360 3.027 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2CCCO2)c(C)n1Cc1ccco1 27868395 AIMVIIRULDPTGG-GUYCJALGSA-N 316.401 3.044 0 40 DGAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1cccnc1 30461267 QIRWKQIVGUGCTA-UHFFFAOYSA-N 323.421 3.367 0 40 DGAB CCN1C(=O)c2ccccc2N[C@@H]1c1ccc(-n2cccn2)cc1 30543339 RAWSBQFFNYCQOK-SFHVURJKSA-N 318.380 3.459 0 40 DGAB CN(Cc1ccccc1)C(=O)NCCCOc1ccccc1F 32802382 LPOQNUPNBPSSCL-UHFFFAOYSA-N 316.376 3.436 0 40 DGAB Fc1ccc([C@@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1 32935722 VETTYVMJSOJQKT-KRWDZBQOSA-N 311.360 3.047 0 40 DGAB CC[C@H]1Oc2ccc(O)cc2N(Cc2cccc(F)c2)C1=O 36260491 CLFOPWMXBVMDIR-OAHLLOKOSA-N 301.317 3.236 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)N[C@H]3CCCC[C@@H]3C)cc2NC1=O 40023834 WJWALXCSBJUAEW-GVXVVHGQSA-N 317.389 3.106 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1nc(CN2CCCCC2)cs1 45754614 PHSQGGUJAOWLKZ-ZDUSSCGKSA-N 305.447 3.424 0 40 DGAB COc1ccccc1N[C@H](C)C(=O)N1CCc2sccc2C1 55618721 FVJZNWKBAHEVRS-GFCCVEGCSA-N 316.426 3.142 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NC[C@@H](C)Cn1ccnc1C 58943281 MLIUWTMKZCWXSG-GFCCVEGCSA-N 310.401 3.047 0 40 DGAB O=c1c2cc(-c3cccs3)nn2ccn1Cc1ccccc1 64775026 YEHMPIVABKRUQI-UHFFFAOYSA-N 307.378 3.273 0 40 DGAB CCSCCC(=O)NC[C@H]1CCCN(Cc2ccccc2)C1 65591281 RDHMRSQCOVQHPW-QGZVFWFLSA-N 320.502 3.158 0 40 DGAB C/C=C/C=C/C(=O)NCCc1coc(-c2ccc(F)cc2)n1 69416882 SPFHJPUYQKPGTA-MQQKCMAXSA-N 300.333 3.272 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccccc1 69627658 BMAZRRBWTXBIHK-ROUUACIJSA-N 300.446 3.095 0 40 DGAB CNC(=O)c1cnc(/C=C/c2csc(-c3ccco3)n2)s1 69977206 PEGAILRSXUVUEN-SNAWJCMRSA-N 317.395 3.390 0 40 DGAB O=C(NCCCn1ncc2c(Cl)cccc21)C1CCCC1 71196097 KACOCWJVEBCOSM-UHFFFAOYSA-N 305.809 3.386 0 40 DGAB COC(=O)[C@H]1CCCN(C(=O)c2ccc(-c3ccccc3)cc2)C1 71415967 NBLOTTFXUQVIIP-SFHVURJKSA-N 323.392 3.379 0 40 DGAB Cc1cccc(C[S@](=O)[C@H](C)C(=O)N(C)c2ccccc2)c1 71858889 WWINDQSDCWMLQA-IVZQSRNASA-N 315.438 3.295 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2ccsc12 71859633 MNVXDQFRJFRASB-ZDUSSCGKSA-N 313.430 3.383 0 40 DGAB O=C(N[C@H](Cc1ccccc1)c1cccs1)[C@@H]1CCCO1 71909662 FKZMZRCHSFSZFN-CABCVRRESA-N 301.411 3.327 0 40 DGAB O=C(C[C@H]1CCOc2ccccc21)N(CC(F)(F)F)C1CC1 71910381 HOLHYVUAHMGZJW-LLVKDONJSA-N 313.319 3.496 0 40 DGAB CCOC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)nc1C 73635698 OTKHAVYCYPHXCF-UHFFFAOYSA-N 300.145 3.059 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc3c(c2)ncn3C)cc1 74705677 VRLBTKZDHVSNGM-UHFFFAOYSA-N 323.352 3.002 0 40 DGAB Cc1ccccc1C(=O)C[C@]1(O)C(=O)Nc2ccc(Cl)cc21 75106812 XSUZUUDHTYUPAJ-QGZVFWFLSA-N 315.756 3.061 0 40 DGAB C[C@H]1[C@H](c2ccccc2)C[C@@H](C)N1C(=O)CCn1ccccc1=O 78874525 RALZUZZIAYTDMO-SOLBZPMBSA-N 324.424 3.032 0 40 DGAB Cc1ccn(-c2ccccc2NC(=O)CCCn2ccnc2C)n1 79104927 VXQHSVNGGPIPHZ-UHFFFAOYSA-N 323.400 3.105 0 40 DGAB O=C(Nc1cc(-c2ccccc2)on1)N[C@H](CO)c1ccccc1 84560120 DCFWXOQTFLFXBO-OAHLLOKOSA-N 323.352 3.197 0 40 DGAB CC[C@@H](C(=O)N(CCOC)Cc1ccoc1)c1ccccc1 85474250 GKVQYYLCGWZRBD-QGZVFWFLSA-N 301.386 3.448 0 40 DGAB O=C(c1[nH]nc2c1CCCC2)N1CCC[C@@H](Nc2ccccc2)C1 89845682 JBEVENZFRAHWNC-OAHLLOKOSA-N 324.428 3.005 0 40 DGAB Cn1ccc(C(=O)N2CCCC(C)(C)c3ccccc32)cc1=O 89849476 MPPDQWQSXKJICK-UHFFFAOYSA-N 310.397 3.104 0 40 DGAB CC(=O)N1CCC(CCN[C@H](C)c2ccccc2N(C)C)CC1 93946911 CAUWZDJEYIYHRM-OAHLLOKOSA-N 317.477 3.052 0 40 DGAB CSc1ccc(NCc2cn(C)nc2-c2ccncc2)cn1 95430877 WHWCAYZZEDLOLN-UHFFFAOYSA-N 311.414 3.211 0 40 DGAB COc1ccccc1-c1n[nH]c([C@@H](N)c2ccc(Cl)cc2)n1 95533999 COMPKOMZFLQGKZ-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB N[C@@H](C(=O)Nc1ccc(Br)cc1F)c1ccccc1 95939019 XVKWYMXOUUXLHN-CYBMUJFWSA-N 323.165 3.227 0 40 DGAB in-vitro c1csc(CN2CCO[C@H]3[C@@H]2CC[C@@H]3Cn2cccc2)c1 96055345 WMPMQDGVPGSFNJ-HYVNUMGLSA-N 302.443 3.229 0 40 DGAB COC(=O)[C@@H](Nc1ccc(CCO)cc1)c1ccccc1Cl 96410436 DPFCQXRQYUACIP-INIZCTEOSA-N 319.788 3.201 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1ccc(F)cc1OC(F)F 96425870 MOLCXIRKIUOTES-JTQLQIEISA-N 303.280 3.325 0 40 DGAB CCC(CC)c1cc(CNC(=O)c2cc(C3CC3)on2)on1 96426607 NJQRGTMRSASEAN-UHFFFAOYSA-N 303.362 3.374 0 40 DGAB C[C@@H](NC(=O)CCCOc1cccnc1)c1ccc(F)c(F)c1 96430486 CPYFNJMHLSVMDB-GFCCVEGCSA-N 320.339 3.396 0 40 DGAB CN(Cc1cscn1)C(=O)/C=C/c1cn(C)c2ccccc12 96430711 ZCOZNKGGQPCPQE-BQYQJAHWSA-N 311.410 3.307 0 40 DGAB COc1cc(CNC(=O)Nc2nccs2)c2ccccc2n1 96433652 DXPZQBUNCDEATK-UHFFFAOYSA-N 314.370 3.022 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NC[C@H](C)Cc1cccs1 96440851 RJHNTDCBKOPGCY-LLVKDONJSA-N 321.446 3.373 0 40 DGAB CCN(CC1CCOCC1)C[C@H]1CCN(Cc2ccccc2)C1 96441778 UYESUYKWKGACMD-HXUWFJFHSA-N 316.489 3.257 0 40 DGAB Cc1nc(CNC(=O)Nc2ccccc2SC(C)C)no1 96474194 GNWRMIOUKUQJRZ-UHFFFAOYSA-N 306.391 3.200 0 40 DGAB CCCC1(CNC(=O)N2CCC(O)(C(F)(F)F)CC2)CCC1 96491929 KTEILNUOUNBCQU-UHFFFAOYSA-N 322.371 3.056 0 40 DGAB C[C@H](O)c1ccccc1NC(=O)c1cnn(Cc2ccccc2)c1 97046305 VUTRCFDQCYRZQM-AWEZNQCLSA-N 321.380 3.237 0 40 DGAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2ccncc2)cc1 98014095 VQRYYGNQHWJGNQ-QZTJIDSGSA-N 310.397 3.288 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1F 102183696 YFFKWMLFZOAUAJ-LBLXLQPISA-N 305.736 3.181 0 40 DGAB CC[C@@]1(C)CN(C(=O)NC[C@@H](c2cccnc2)C(C)C)CCO1 188171568 OVNPOZOLIHVTLU-AEFFLSMTSA-N 319.449 3.032 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](C)CN1C[C@H](C)C[C@@H](C)C1 195529539 LRKHIOSVJRAHJW-KFWWJZLASA-N 319.449 3.183 0 40 DGAB CCCc1ccc(OCCNC(=O)c2cccc(OC)c2)cc1 223381596 ZVMACBUAIKMXIA-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB NNc1nc2c(Cl)cc(NC(=O)c3ccccc3)cc2s1 226309489 VLDQDQHQDFLUIB-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB CCc1nc2ccccc2c(NC[C@]2(CCO)CCOC2)c1C 252482139 CZOMKPSIIXBWGB-IBGZPJMESA-N 314.429 3.307 0 40 DGAB CCCCCCC1=C(C)C(=O)N([C@H](C(=O)O)[C@H](C)CC)C1=O 253402149 NZKFGKHNLPXKQI-RISCZKNCSA-N 309.406 3.141 0 40 DGAB biogenic,in-vitro Cc1cn[nH]c1[C@@H]1CCCCN1Cc1nc2ccccc2n1C 257230921 GEMWBJKAKPMTFJ-INIZCTEOSA-N 309.417 3.332 0 40 DGAB CC(=O)Nc1c(OCc2nccc(C)n2)n(C)c2c(C)cccc12 579819038 ZJPNKWHYLWPPIN-UHFFFAOYSA-N 324.384 3.123 0 40 DGAB COCC[C@H](C)NCc1nc(Cl)ccc1Br 585118685 YEKSORBKXOEROC-QMMMGPOBSA-N 307.619 3.012 0 40 DGAB CCOC(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@H]1C 953018926 IWWLBTIYDLXXED-ZBFHGGJFSA-N 319.401 3.234 0 40 DGAB CSc1ncc(Br)c(N2CCCCCC2)n1 1889081479 DPZJABGJFHBATN-UHFFFAOYSA-N 302.241 3.341 0 40 DGAB Cc1ccc(-n2nnnc2-c2ccccc2Br)cc1 351359 FBZCQEKBAMIYJB-UHFFFAOYSA-N 315.174 3.400 0 40 DGAB COc1cccc([C@@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)c1 525894 RPJMORVOBIOOAH-JKSUJKDBSA-N 321.384 3.015 0 40 DGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2C)C1=O 3462103 ALENYSXZBREMMX-IBGZPJMESA-N 308.381 3.352 0 40 DGAB CCOc1ccc(CNCc2ccc3c(c2)OCO3)cc1OC 4344213 AFSVCZSMHGBXJK-UHFFFAOYSA-N 315.369 3.112 0 40 DGAB Cc1cccc(-c2noc(CCCC(=O)NC(C)(C)C)n2)c1 4433736 URLSOGKCEVGBGA-UHFFFAOYSA-N 301.390 3.282 0 40 DGAB COc1ccc2c(c1)c(CC(=O)O)c(C)n2C(=O)c1ccccc1 4475078 HHVVFSZNIUHMEJ-UHFFFAOYSA-N 323.348 3.274 0 40 DGAB CCOc1ccc(C2=NN(C(C)=O)[C@@H](c3ccc(O)cc3)C2)cc1 4539045 NHUYWEXMQCJMGM-LJQANCHMSA-N 324.380 3.489 0 40 DGAB COc1ccc(C(=O)NC(=S)Nc2cccc(C)c2C)cc1 5579611 JETVOZALYKCOGE-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB S=C(NC[C@@H](c1ccco1)N1CCCC1)NC1CCCCC1 6334006 OQZMIMDWFPVLNY-HNNXBMFYSA-N 321.490 3.213 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2F)cc1 6651604 BQISMIADBJSPSQ-NSHDSACASA-N 315.348 3.223 0 40 DGAB CCCc1nnc(SCC(=O)c2ccc(OC)cc2)n1CC 7604992 CNWSXHJKCGLOEE-UHFFFAOYSA-N 319.430 3.234 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)NC(C)(C)CC(C)(C)C 7667870 GJCMBYZTKKMNKS-UHFFFAOYSA-N 313.463 3.497 0 40 DGAB Cc1ccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2)cc1 8373015 NIIRBIWTOQGUJZ-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB COC(=O)c1ccccc1NCC(=O)Nc1cccc(C)c1C 8747314 ZCFPGVXCXPJRBA-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB COc1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1OC 9455980 GOTIKFJCRDSXGW-NSHDSACASA-N 319.332 3.249 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)NCc2cccc(Cl)c2)cc1 11610115 ICRSFPMWMIEVQL-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB S=C1NCN(Cc2ccccc2)CN1c1ccc(Cl)cc1 12376430 VPZWPDNKQLAOLL-UHFFFAOYSA-N 317.845 3.452 0 40 DGAB CCc1ccc(C(=O)NCCn2c(C)nc3ccccc32)cc1 12534089 QSIJIJWLENLUBL-UHFFFAOYSA-N 307.397 3.337 0 40 DGAB Cc1cc(C(=O)Nc2nnc(-c3ccc4c(c3)CCCC4)o2)on1 12870259 UBGUTQKLFISPEM-UHFFFAOYSA-N 324.340 3.164 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1ccc(F)c(Cl)c1 12901778 FJQPJVGTCZMBQA-UHFFFAOYSA-N 324.739 3.221 0 40 DGAB Cc1cc(C)c(O)c(-c2cc(C(=O)NCc3ccccc3)n[nH]2)c1 13121835 LREJQZYPPYBBND-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)c1ccc(NC(=O)CC(C)C)cc1 14404513 AGAOWYZSPHLJJL-UHFFFAOYSA-N 314.389 3.263 0 40 DGAB Cc1ccc([C@H](CNC(=O)c2ccc(Cl)cc2)N(C)C)o1 15860095 NPWZMCOFWUKTOM-AWEZNQCLSA-N 306.793 3.274 0 40 DGAB CCOc1ccccc1[C@@H]1SCC(=O)N1c1nccs1 19927212 WCQOXSPOHFOUKU-ZDUSSCGKSA-N 306.412 3.320 0 40 DGAB C[C@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCCC1 20108775 QFYBAFMZMXFLSU-AWEZNQCLSA-N 324.852 3.100 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2NC1CCCCCC1 20227191 MRFGOWFWQJTXTP-MRXNPFEDSA-N 305.374 3.185 0 40 DGAB CCN(CC)CCNCc1ccc(-c2ccc([C@@H](C)O)cc2)o1 22108717 UVPIQTZTYCDCPE-OAHLLOKOSA-N 316.445 3.431 0 40 DGAB CCOc1c(Cl)cc(C(=O)Nc2nonc2C)cc1Cl 27664138 FNOUHLXMZIHLGY-UHFFFAOYSA-N 316.144 3.336 0 40 DGAB C[C@@H](Sc1noc(-c2cccnc2)n1)C(=O)c1ccccc1 28526996 GBCXYLBGWCTFLS-LLVKDONJSA-N 311.366 3.495 0 40 DGAB CCOCc1ccc(CNCc2ccc(NC(C)=O)cc2)cc1 30902755 BPFBBXAWBUSNEE-UHFFFAOYSA-N 312.413 3.471 0 40 DGAB CC1(C)C[C@@H](c2nn3c(-c4ccco4)nnc3s2)CCO1 32096635 DGUNMPMSHWHPBN-VIFPVBQESA-N 304.375 3.118 0 40 DGAB O=C(O)CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1O 32634049 ANHFSWPHLAPWBN-UHFFFAOYSA-N 310.305 3.183 0 40 DGAB biogenic,in-vitro CC(=O)NCc1ccc(C(=O)O[C@H](C)c2ccc(F)cc2)cc1 32736661 XTMQFITVIRRHJF-GFCCVEGCSA-N 315.344 3.380 0 40 DGAB CCCCC[C@H](C)NC(=O)NCc1ccc(-n2cccn2)nc1 32795316 JKPKYCDDLKDPFQ-AWEZNQCLSA-N 315.421 3.035 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCC[C@H]2c2cccnc2)cc1 32824383 VRHWDTLCCCDVQF-MZEUMTGBSA-N 308.381 3.467 0 40 DGAB Cc1ccc(NC(=O)c2cnn(-c3ccccn3)c2C(C)C)nc1 32912177 QTJILLFZVARETM-UHFFFAOYSA-N 321.384 3.346 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccccc1SCc1ccco1 44890483 DKWGSRXTQICCPK-CYBMUJFWSA-N 317.410 3.481 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)NCc1nc(C)cs1 44967454 DTOHPUIPHDGTKY-LBPRGKRZSA-N 319.430 3.363 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(Cl)c(Cl)[nH]1 50921537 USOWJBFTWZDYKB-QMMMGPOBSA-N 319.188 3.181 0 40 DGAB COc1ccc(CN2CCC(CNC(=O)C(C)(C)C)CC2)cc1 58210360 QIYOUKJYHBEPSX-UHFFFAOYSA-N 318.461 3.070 0 40 DGAB Cc1cc(C)cc(-n2ccnc2SCC(=O)N2CCCC2)c1 58947296 YBGOPBHYUDGRRQ-UHFFFAOYSA-N 315.442 3.204 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)OCc1ccccc1 59868319 SADGAXUGVQIJBT-KKUMJFAQSA-N 303.358 3.041 0 40 DGAB O=C(NCCCn1ccc2ccccc21)c1ccc2c(c1)COC2 64485996 HUENEHGDYXSVBO-UHFFFAOYSA-N 320.392 3.492 0 40 DGAB NC(=O)[C@H](N[C@@H]1CCc2cc(Cl)ccc21)c1ccccc1 66391494 WYHCEYAQKMWUCU-HZPDHXFCSA-N 300.789 3.144 0 40 DGAB COc1ccccc1C[C@H]1CCCN([C@@H](C)c2nnc(C)o2)C1 66894004 CQAVZZPLNINGTA-DZGCQCFKSA-N 315.417 3.402 0 40 DGAB COc1cccc2c1OCC(=O)N(c1cccc(SC)c1)C2 67323813 HIGGOZPFGFEKJX-UHFFFAOYSA-N 315.394 3.343 0 40 DGAB O=C(c1ccc(F)cc1F)N1CCC(Nc2cccnc2)CC1 69435315 ONTWHNHGRDJQAD-UHFFFAOYSA-N 317.339 3.077 0 40 DGAB CCn1c(C)cc(C(=O)N2CCCC[C@H]2Cn2cccn2)c1C 71865138 CUJVASXICWILDC-INIZCTEOSA-N 314.433 3.016 0 40 DGAB O=C(N[C@H](c1ccc(Cl)cc1)C(F)(F)F)[C@H]1CCOC1 71921747 MRGAQFQKMJSOIJ-GXSJLCMTSA-N 307.699 3.096 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)Cc3cccnc3)C2)n1 72282469 DPEZAZZCSYONOG-AWEZNQCLSA-N 315.442 3.049 0 40 DGAB Cc1cccc(-c2[nH]ncc2C(=O)NCc2ccccc2F)c1 72329116 CFUTYAUWDFSERE-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB C[C@H](NC(=O)CC1CCN(CCc2ccccc2)CC1)C1CC1 72344537 HRZXHVHVOGNQLQ-INIZCTEOSA-N 314.473 3.246 0 40 DGAB CCCCO[C@@H]1C[C@H](N(C)C(=O)Cc2cccnc2)C1(C)C 75091900 CXQSYKGYZMHRKI-JKSUJKDBSA-N 304.434 3.066 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@H](C)c2ccccn2)s1 75092057 WPHKLIMGWAAIBX-LLVKDONJSA-N 304.419 3.003 0 40 DGAB CC(C)N(C)C(=O)Nc1ccc(N2C[C@H](C)O[C@H](C)C2)cc1 75109895 AVRPKPWQNWIYHS-OKILXGFUSA-N 305.422 3.172 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N[C@H](C)[C@H](C)CO 76081729 HBWPPZPHVURCSZ-TZMCWYRMSA-N 308.422 3.058 0 40 DGAB CN[C@@H]1CCCC[C@@H]1N(C(=O)OCc1ccccc1)C1CC1 79437927 WFOLKPOXBYICIS-SJORKVTESA-N 302.418 3.318 0 40 DGAB CC[C@H]1CN(C(=O)C(C)C)CC[C@H]1NCc1ccc(Cl)o1 84736347 FKDNWEDGDOKBFT-GXTWGEPZSA-N 312.841 3.306 0 40 DGAB CCn1c(C)nnc1S[C@@H](C)c1cn(-c2ccccc2)nn1 89300574 RBEZPIKPHCWPFM-NSHDSACASA-N 314.418 3.040 0 40 DGAB CCCOCCc1nnc(NC(=O)c2ccc(C)cc2)s1 95116348 OCTPPXXEDHNFPA-UHFFFAOYSA-N 305.403 3.068 0 40 DGAB CC[C@](CO)(NCc1cc(F)c(O)c(F)c1)c1ccccc1 95409299 OLVJOVGYAZIHGC-QGZVFWFLSA-N 307.340 3.058 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 95436945 VISPBCRVSAADKV-XPKDYRNWSA-N 322.474 3.249 0 40 DGAB C[C@H](C(=O)N[C@]1(C)CCc2ccccc2C1)C1CCOCC1 95439593 GUECHZVALNAWRM-IFXJQAMLSA-N 301.430 3.113 0 40 DGAB O=c1[nH]c2c(Br)c(Br)ccc2s1 95950039 XHDJIEVHKAIUQA-UHFFFAOYSA-N 308.982 3.115 0 40 DGAB Cc1cnccc1NC(=O)NC1CCN(C2CCCCC2)CC1 95981974 HMMFQVWXERYZOB-UHFFFAOYSA-N 316.449 3.309 0 40 DGAB CC(C)(CN1CCC[C@@H]1c1cccc(Cl)c1)S(C)(=O)=O 95982574 QDZYELTXGZVMDS-CQSZACIVSA-N 315.866 3.300 0 40 DGAB C[C@H](CN[C@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O 95984207 XKPCZXJYSWHSJH-NXEZZACHSA-N 324.273 3.325 0 40 DGAB CSc1c(F)cc(NC(=O)N2CCSCC2)cc1F 96010707 QMYNEVKSJSSBFR-UHFFFAOYSA-N 304.387 3.267 0 40 DGAB c1cc(CN2CCC[C@]3(COCCN(CC4CC4)C3)C2)cs1 96049472 QMVFBUGYJAMRGZ-SFHVURJKSA-N 320.502 3.073 0 40 DGAB Cc1cnc(CNC(=O)N[C@@H]2CCc3ccc(F)cc32)s1 96439986 XUXWUYVBBZCKLY-CYBMUJFWSA-N 305.378 3.077 0 40 DGAB O=C(NCCC1CCN(CC(F)(F)F)CC1)c1ccccc1 96451660 OSCNCCORJJVAGX-UHFFFAOYSA-N 314.351 3.081 0 40 DGAB O=c1c2ccsc2ccn1Cc1nnc(-c2cccs2)o1 97053597 CBQSGFJVJYZNEN-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1CCCCCN1C(=O)NC1CC=CC1 97080596 DRPBDIMAHPKOJS-OAHLLOKOSA-N 302.422 3.372 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@@H](C)c2c(C)n[nH]c2C)cn1 97107226 MHYZBKSBUHACAU-NSHDSACASA-N 315.421 3.010 0 40 DGAB C[C@@H](C(=O)O)[C@@H](NC(=O)c1ccc2[nH]ccc2c1)c1ccccc1 97228696 BEJRTSVYAFTALM-SJKOYZFVSA-N 322.364 3.360 0 40 DGAB Cc1nc(NC(=O)N2C[C@H]3CC[C@H]2C3)ccc1Br 102248856 WYFRACYEBBYIIN-UWVGGRQHSA-N 310.195 3.169 0 40 DGAB COc1ccccc1C[C@@H]1CCCN([C@H](C)c2nc(C)no2)C1 106650541 PXBJNJGZVVPXNB-HIFRSBDPSA-N 315.417 3.402 0 40 DGAB CCOC(=O)c1ccc(-c2ccc(/C=C/C(=O)OC)o2)cc1 216885946 GWGKLMULMVLXRX-PKNBQFBNSA-N 300.310 3.310 0 40 DGAB CCOc1ccc(C(=O)NCCOc2ccc(F)cc2)cc1C 225190538 FZUYLKSEZWNJAF-UHFFFAOYSA-N 317.360 3.342 0 40 DGAB Cc1cc(S(=O)(=O)N[C@H]2CCCc3ccccc32)ccc1F 225604757 FOLUBHVKPADETE-KRWDZBQOSA-N 319.401 3.490 0 40 DGAB O=C(c1ccsc1)N1CC[C@H](N2CCc3ccccc3C2)C1 225684106 GNMOTQNULQNGCA-KRWDZBQOSA-N 312.438 3.021 0 40 DGAB CC[C@@H]1CCCCN1c1nn(-c2ccccc2C)nc1C(=O)O 256048966 XKWGNRMHJFHSQH-CYBMUJFWSA-N 314.389 3.043 0 40 DGAB CC(=O)N1CCN(Cc2ccsc2)[C@H](c2ccccc2)C1 257215361 CPTGYIPPWLKTRK-KRWDZBQOSA-N 300.427 3.154 0 40 DGAB Cc1ccc(C[C@H]2CCCN(C(=O)Cc3cccs3)C2)cn1 257325388 WSSVCRONQMCSRD-MRXNPFEDSA-N 314.454 3.475 0 40 DGAB O=C(O)c1ccc(CNC(=O)[C@@H]2CCCc3sccc32)cc1 316598704 GZKLVAFJIQUUAF-CQSZACIVSA-N 315.394 3.183 0 40 DGAB O=C1c2cccc(Cl)c2CCN1CCNCc1ccccc1 521394024 YAPXYXHLMMLMBN-UHFFFAOYSA-N 314.816 3.128 0 40 DGAB CC(C)CC(=O)OCSc1nnc(-c2cccs2)n1C 585118857 FMVFQWRQDXQWFQ-UHFFFAOYSA-N 311.432 3.183 0 40 DGAB O=C(Cc1cccc(Cl)c1)N[C@@H]1COCc2ccccc21 1584179310 SZIILMDJJNXTTF-MRXNPFEDSA-N 301.773 3.270 0 40 DGAB Cc1ccc(-n2ccn(CC3CCCC3)c(=O)c2=O)cc1Cl 1888879665 OXIAOFRSCMBBJA-UHFFFAOYSA-N 318.804 3.151 0 40 DGAB FC(F)(F)C1CN(c2ncc(Br)cc2Cl)C1 2298074406 WRXLKUSVJWGTSK-UHFFFAOYSA-N 315.520 3.496 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)cc1)[C@@H]1COc2ccccc2O1 319548 FKWAHQSNYFFTKX-BZNIZROVSA-N 317.772 3.298 0 40 DGAB CCc1cc(I)ccc1NC(=O)C(C)C 342353 BZHKVNCBAWCDJS-UHFFFAOYSA-N 317.170 3.448 0 40 DGAB COc1cccc2cc(C(=O)N3[C@@H](C)CCC[C@@H]3C)c(=O)oc12 778133 KHHMKTHXMMEWHB-RYUDHWBXSA-N 315.369 3.205 0 40 DGAB biogenic Cc1ccc(N2C(=O)[C@H](C)S[C@@]23C(=O)Nc2ccccc23)cc1 969001 BILOULZYQSERFU-SGTLLEGYSA-N 324.405 3.268 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1F 3404858 QJLHQMWAYBPQNL-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2cccc(F)c2)c1C 3451695 TYOLRPDRIPPYOC-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(COC(=O)c1ccc(Cl)s1)NCC1CCCCC1 3486975 NSOQEUSOLRZVFG-UHFFFAOYSA-N 315.822 3.255 0 40 DGAB Cc1ccc(C)c(CN2C(=O)NC3(CCC(C)CC3)C2=O)c1 3545604 PMKHIROVNDHSFL-UHFFFAOYSA-N 300.402 3.304 0 40 DGAB c1ccc(-c2nnc3sc(-c4ccc5c(c4)OCO5)nn23)cc1 4664909 SJJKQYWQMNGGFB-UHFFFAOYSA-N 322.349 3.249 0 40 DGAB CC1(C)CC(=O)c2ccc(OCCN3CCCCC3)cc2O1 5302797 ACBJKTYPIRHGJQ-UHFFFAOYSA-N 303.402 3.295 0 40 DGAB CCCN(C)CC(=O)N[C@@H](Cc1ccccc1)c1ccccc1 5784841 BLPLYMRLMNRFQY-IBGZPJMESA-N 310.441 3.428 0 40 DGAB COc1ccc(NC(=O)COc2cccc3cccnc23)cc1 6127929 UWMFDVFWGDYPHX-UHFFFAOYSA-N 308.337 3.261 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)cc1 6204365 LHPJBSOLXYNFBG-OFQRWUPVSA-N 303.402 3.093 0 40 DGAB COc1ccc(-c2csc(NC(=O)C3CC3)n2)c(OC)c1 6230208 WTGHEJJNAKYHQQ-UHFFFAOYSA-N 304.371 3.176 0 40 DGAB O=C(Cc1c(Cl)cccc1Cl)OCC(=O)c1ccc[nH]1 6234835 UCMGTJRMQZJCOD-UHFFFAOYSA-N 312.152 3.290 0 40 DGAB CCOC(=O)[C@@H]1CCCN(Cc2c(C)[nH]c3ccccc23)C1 6508888 RDDTULSDIQVWRO-CQSZACIVSA-N 300.402 3.251 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1cccc(F)c1 7709431 KBICACHAEWARBZ-UHFFFAOYSA-N 302.330 3.175 0 40 DGAB COc1ccccc1OCC(=O)N1CC=C(c2ccccc2)CC1 7724513 QMPZFNWMUNOVII-UHFFFAOYSA-N 323.392 3.390 0 40 DGAB COc1cc(NC(=O)CCc2cccnc2)c(OC)cc1Cl 8031981 UWFILZSGWHKTGX-UHFFFAOYSA-N 320.776 3.324 0 40 DGAB C[C@@H]1C[C@H](Sc2nnc(-c3cccs3)n2C2CC2)C(=O)O1 8038128 SVTGQPVPLSQMGK-KCJUWKMLSA-N 321.427 3.138 0 40 DGAB COc1ccc(CCNc2nc(-c3ccccc3)cc(=O)[nH]2)cc1 8844095 PSYJRMYDIUCGOB-UHFFFAOYSA-N 321.380 3.100 0 40 DGAB biogenic Cc1cccc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1C 11915505 QDFNLGRYWWSTSM-LLVKDONJSA-N 314.385 3.434 0 40 DGAB CC(C)c1cccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)c1 12924494 SFWIUMIKPZKIQH-YOEHRIQHSA-N 318.442 3.203 0 40 DGAB COc1ccc(Cn2c([C@@H](C)O)nc3ccccc32)cc1F 13112534 NMPIEMKSQYAZFD-LLVKDONJSA-N 300.333 3.286 0 40 DGAB COc1ccc(CCNCc2cc3cc(C)ccc3[nH]c2=O)cc1 13998938 CNEPPCUALOBDCY-UHFFFAOYSA-N 322.408 3.177 0 40 DGAB O=c1c2ccccc2ncn1Cc1ccccc1OC(F)F 14093507 UFNLFLWWJHWXQL-UHFFFAOYSA-N 302.280 3.046 0 40 DGAB Cc1cnc(C(=O)N[C@H](C)c2ccccc2Br)cn1 14425925 LHEJLVUQZYUIBL-SNVBAGLBSA-N 320.190 3.039 0 40 DGAB Nc1nc(Nc2cccc3ccccc23)nc([C@@H]2CCCC2=O)n1 18325002 BQKRFZWEWZMHLD-CYBMUJFWSA-N 319.368 3.187 0 40 DGAB CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2ccn(C)n2)no1 19452728 KBAAXXRJEBLLTN-OAHLLOKOSA-N 316.405 3.289 0 40 DGAB CC[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 20036784 JKCKFXLCHLIFGA-INIZCTEOSA-N 307.390 3.396 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1ccccc1Cl)c1ccccc1 21869649 ROFGNFCRKGSAIU-QGZVFWFLSA-N 316.832 3.302 0 40 DGAB O[C@@H](CNC[C@H](c1ccco1)N1CCCCC1)c1ccccc1 22029974 QKQLDJIRSWQZPF-MSOLQXFVSA-N 314.429 3.130 0 40 DGAB Cc1cccc(CC(=O)NCC2CCN(C3CCCC3)CC2)c1 23014537 ABDOWMMBULLMBZ-UHFFFAOYSA-N 314.473 3.308 0 40 DGAB COc1ccc(CCNCc2ccc(-n3ccnc3)cc2)cc1 23409446 VMSDWYGOPZXIOA-UHFFFAOYSA-N 307.397 3.213 0 40 DGAB CC(=O)Nc1ccc(CN[C@H]2CCN(Cc3ccccc3)C2)cc1 23480173 SIFIKXCENQXSHO-FQEVSTJZSA-N 323.440 3.009 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)[C@@H]1CC=CCC1)c1cccc(F)c1 24016001 XKVHZIGYZVBPKY-CJNGLKHVSA-N 313.376 3.121 0 40 DGAB CC(C)(C)OC(=O)NC1(CNC(=O)C2CC2)CCCCCC1 24493461 OIERFBFOMFTAHK-UHFFFAOYSA-N 310.438 3.130 0 40 DGAB Cc1c([C@@H](C)NC(=O)c2ccc(-n3cccc3)cc2)cnn1C 25001407 VYRGTKZGQWUQFV-CYBMUJFWSA-N 308.385 3.010 0 40 DGAB COCc1ccccc1CNC(=O)[C@@H](C)OCc1ccccc1 30845850 LKCCBJKODOBTHK-OAHLLOKOSA-N 313.397 3.055 0 40 DGAB CN(C)c1ccc(NC(=O)c2ccccn2)c(C(F)(F)F)c1 33176925 TWTZKLXFGWSKKG-UHFFFAOYSA-N 309.291 3.419 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)CCc2ccco2)c2c(C)noc2n1 36613690 PYRNCWZSHNYOLJ-JTQLQIEISA-N 313.357 3.184 0 40 DGAB COc1ccccc1N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1=O 36635450 UBCCZCZJQGTSST-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB CCCSc1nnc(NC(=O)COc2ccc(C)cc2)s1 39989108 VVKNNQWTVDPOCK-UHFFFAOYSA-N 323.443 3.366 0 40 DGAB CCc1nc(NC(=O)c2ccc(C(=O)OC)cc2)sc1C 40118941 QKTPRROECYLRNX-UHFFFAOYSA-N 304.371 3.053 0 40 DGAB O=c1oc2ccccc2n1Cc1coc(-c2ccc(F)cc2)n1 43584788 VEJXRHGFVIZUOB-UHFFFAOYSA-N 310.284 3.437 0 40 DGAB c1coc(Cn2nnnc2S[C@@H]2CCCc3ccccc32)c1 48261792 JJVVSDQJEZGLLZ-OAHLLOKOSA-N 312.398 3.484 0 40 DGAB CCc1noc([C@H](C)N2CCC(CN3CCCCCC3)CC2)n1 51793693 GYTPDHFXJZIUNR-HNNXBMFYSA-N 320.481 3.281 0 40 DGAB O=C(NCc1cccs1)C1(c2cccc(F)c2)CCOCC1 57182880 DRNCCKZANPVIJU-UHFFFAOYSA-N 319.401 3.252 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1ccccc1 58061452 DETKFWRDSUUNEA-KRWDZBQOSA-N 318.380 3.245 0 40 DGAB CCN1CCC[C@@H]1CNC(=S)N[C@@H]1CCCc2ccccc21 58143851 QKFCKSODGLQKOW-NVXWUHKLSA-N 317.502 3.012 0 40 DGAB O[C@@H](CNCc1ccccc1OC(F)(F)F)c1ccccc1 58154545 MVFAKAGBPPRHMR-AWEZNQCLSA-N 311.303 3.408 0 40 DGAB COc1cccc(C2=CCN(c3cnnc(O)c3Cl)CC2)c1 58201106 RHOIWKQIXGDOSY-UHFFFAOYSA-N 317.776 3.138 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)c3ccc4[nH]cnc4c3)C2)cc1 58224908 LEGWRPCSPSMYCJ-OAHLLOKOSA-N 321.380 3.201 0 40 DGAB Cc1cc(CNCc2c(C)nn(C)c2Oc2ccccc2)no1 58314855 DOAOGBZHIAYYPR-UHFFFAOYSA-N 312.373 3.107 0 40 DGAB Cc1cc(C)nc(N2CCc3ccc(OC(F)F)cc3C2)n1 65574926 RPDCPRYWIHYRFK-UHFFFAOYSA-N 305.328 3.258 0 40 DGAB COc1ccccc1S(=O)(=O)N(c1ccc(F)cc1)C(C)C 68918719 QFHIIQAEWZFVNQ-UHFFFAOYSA-N 323.389 3.438 0 40 DGAB CCn1c(CN(C)C(=O)Cc2cccs2)nc2ccccc21 69435312 RUCJREIBCPPLSU-UHFFFAOYSA-N 313.426 3.319 0 40 DGAB CCN(C)C(=O)CCc1c(C)nn(Cc2ccc(C)cc2)c1C 69621754 UHIPTWDNWXWTPC-UHFFFAOYSA-N 313.445 3.268 0 40 DGAB COCCN(CC(F)(F)F)C(=O)Nc1ccc(F)cc1F 69845318 GTRYYZLLJKEELC-UHFFFAOYSA-N 312.238 3.007 0 40 DGAB C[C@H](NCc1cc(-c2cccs2)on1)[C@H](C)n1cccn1 69951938 GZXQZTSIHYYUKQ-RYUDHWBXSA-N 302.403 3.339 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc(C(N)=O)cc2)c(F)c1 71760554 JJYDJPGTZWCSOI-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB O=C(c1cc(C2CC2)[nH]n1)N1CCCCC[C@@H]1c1ccncc1 71820906 TZACDQDYAMYTGM-QGZVFWFLSA-N 310.401 3.440 0 40 DGAB CO[C@@](C)(C(=O)Nc1ccc(-c2nnco2)cc1)c1ccccc1 71882629 HOPQTEJKQNSZOE-GOSISDBHSA-N 323.352 3.237 0 40 DGAB CCCCN1CCCC[C@H]1c1cccnc1N1CCOCC1 72216247 NEMOWILWBKWSFX-KRWDZBQOSA-N 303.450 3.245 0 40 DGAB Cc1cnn(CCNCc2nc(-c3ccsc3)oc2C)c1 72253162 CRUDVTZSOUFFFI-UHFFFAOYSA-N 302.403 3.006 0 40 DGAB Nc1cc(C(F)(F)F)ccc1N1C[C@H](C(F)(F)F)OC1=O 72295223 MAETWFOZRUBOSP-MRVPVSSYSA-N 314.185 3.175 0 40 DGAB in-vitro Fc1cc2ncn(Cc3nc(-c4ccsc4)no3)c2cc1F 73830416 XXMBFVLQTYEGNH-UHFFFAOYSA-N 318.308 3.474 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC1(Cl)Cl)c1cccc(-n2cccn2)c1 74037445 AFOFZXUSXWWXPL-GWCFXTLKSA-N 324.211 3.243 0 40 DGAB CCc1noc(C)c1C(=O)N(CC(F)(F)F)c1ccccn1 75126572 JCHJQRNJIJREDL-UHFFFAOYSA-N 313.279 3.150 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)o1 75130332 RTDAPOKKVURRQR-CQSZACIVSA-N 301.390 3.170 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 75130359 JRQHHTXAWPDKPY-QGZVFWFLSA-N 322.412 3.496 0 40 DGAB O=C(OC[C@@H]1CCCN(C(=O)c2ccccc2)C1)C1CC=CC1 79014827 YDYIYVJJQZIMLK-OAHLLOKOSA-N 313.397 3.048 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)Nc1ccc([S@@](C)=O)cc1 80128693 DXTJXJMCDAASDY-YTEVENLXSA-N 317.414 3.044 0 40 DGAB C[C@@H](NCc1cc2cc(F)ccc2o1)c1nnc2n1CCCC2 95402018 AHPLGLXKQKIIIO-LLVKDONJSA-N 314.364 3.351 0 40 DGAB COCCN1CCC(N[C@H](c2ccccc2)c2ccco2)CC1 95419549 LMVAPFLKLCRTRZ-LJQANCHMSA-N 314.429 3.069 0 40 DGAB Cc1cc(OCCC2OCCO2)cc(C)c1Br 95734232 LQHGUXSAPCFANW-UHFFFAOYSA-N 301.180 3.208 0 40 DGAB CC(C)N(C(=O)[C@H]1CC(c2ccc(Cl)s2)=NO1)C1CC1 95953192 KIRQMBPEVXNOON-LLVKDONJSA-N 312.822 3.294 0 40 DGAB O=C(c1ccccc1)N1CCC2(CC1)CCn1c(C3CC3)cnc12 96087772 GBRKDRNGYBUQJO-UHFFFAOYSA-N 321.424 3.338 0 40 DGAB COC[C@@H]1CC2(CCN(c3cccc(C)n3)CC2)CN1C(C)C 96240304 LQXNGSUKNNYXLJ-KRWDZBQOSA-N 317.477 3.106 0 40 DGAB C[C@@H](CNC(=O)c1cc2cc(F)ccc2o1)CC1(C)OCCO1 96437335 OGUFEBSJIWDVRF-LLVKDONJSA-N 321.348 3.091 0 40 DGAB CCS(=O)(=O)[C@H](C)[C@@H](O)c1ccc(-c2ccccc2)cc1 96519387 SRIKUSLQBMGGCO-CXAGYDPISA-N 304.411 3.210 0 40 DGAB C[C@@](Cl)([C@@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96520325 BODDZXVFWWOILP-UWVGGRQHSA-N 317.621 3.026 0 40 DGAB Cc1ccc(CN2CCC[C@@H](c3nnc4ccccn34)C2)s1 97032573 RMOOSVZQDQFIMS-CQSZACIVSA-N 312.442 3.479 0 40 DGAB c1ccc([C@@H](NC2CCC3(CC2)OCCO3)c2ccncc2)cc1 97233879 YJVSWYATCJHFGQ-LJQANCHMSA-N 324.424 3.446 0 40 DGAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccc(Cl)cc1 101276834 MMJYWDXOZNOZKH-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CCCCn1cnc2c(c(C)c(C)n2Cc2ccccn2)c1=N 101469953 VTAKBJODURGMGR-UHFFFAOYSA-N 309.417 3.178 0 40 DGAB CC(C)(CNC(=O)N1C[C@@H]2[C@@H](C1)C2(C)C)CC1CCOCC1 101672416 ICPXFVVWVPAMIP-HUUCEWRRSA-N 308.466 3.127 0 40 DGAB NC(=O)c1cccc(CNc2ccccc2N2CCCCC2)c1 103347018 HETDLUSDGNCDAU-UHFFFAOYSA-N 309.413 3.388 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)N1CCCN(c2nccs2)CC1 107493881 KIWKVZHHHVZYGZ-SOUVJXGZSA-N 319.474 3.008 0 40 DGAB C[C@@H]1C[C@H](NC(=O)C2[C@@H]3CCC[C@@H]23)CCN1Cc1ccccc1 110668990 XTTHEKRQQNIZNO-VDHUWJSZSA-N 312.457 3.202 0 40 DGAB C[C@@H]1C[C@H](NCc2ccc(F)c(C(F)(F)F)c2)CCN1C 163458453 CPFZBVXJBWDCCL-ZYHUDNBSSA-N 304.331 3.417 0 40 DGAB C[S@](=O)Cc1ccccc1NC(=O)C1CCC(F)(F)CC1 185968457 TYZBEAZQBRRPBP-NRFANRHFSA-N 315.385 3.329 0 40 DGAB Cc1[nH]c(SCCCC(=O)N(C)C)nc1-c1ccccc1 188192369 VBWSMGSUNQEHJB-UHFFFAOYSA-N 303.431 3.346 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C(=O)NC)c1ccccc1 223341681 BFKCSWVCSCHAHH-IBGZPJMESA-N 324.424 3.303 0 40 DGAB Cc1cc(NC(=S)NCCC(C)C)ccc1N1CCCC1=O 225380981 KUEXWUGGNGNKSZ-UHFFFAOYSA-N 319.474 3.454 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)c2ccc(F)c(C)c2)cc1 225603898 FDFSELCRNYIKFC-UHFFFAOYSA-N 321.417 3.354 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2NC(=S)Nc1cccnc1 225705724 ZVAVVVVSVBJHLM-INIZCTEOSA-N 313.426 3.454 0 40 DGAB Nc1cc(NC(=O)C(Cl)(Cl)Cl)ccc1N1CCCC1 226262508 UBJKYSVCHDFGOT-UHFFFAOYSA-N 322.623 3.178 0 40 DGAB CCCC(=O)Nc1ccc(-c2ccc(C(=O)O)o2)c(OC)c1 226352683 KKCAWRIYIHGMTD-UHFFFAOYSA-N 303.314 3.392 0 40 DGAB O=C(/C=C/c1ccc[nH]1)N1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 287740338 GPWFWXJZETXTKA-ZNGIMCQPSA-N 322.408 3.059 0 40 DGAB O=C(/C=C/c1ccoc1)NCC[C@@H](CCO)c1ccsc1 575621373 NUEHVBSOXKMADR-YUKKFKLSSA-N 305.399 3.027 0 40 DGAB Clc1cnccc1N1CC(N2CCc3sccc3C2)C1 1776001402 QONHSYPGQJVRAZ-UHFFFAOYSA-N 305.834 3.043 0 40 DGAB Cc1ccccc1CN1CCC(Oc2ncc(Cl)cn2)CC1 1888857041 UUCYXIGLSWSGJE-UHFFFAOYSA-N 317.820 3.482 0 40 DGAB OC[C@@]12CCC[C@H]1CN(Cc1ccccc1Br)C2 1888866275 ORKISOQVZKUUHV-ZFWWWQNUSA-N 310.235 3.044 0 40 DGAB COc1ccc(-c2nnc3ccc(C(F)(F)F)cn23)c(OC)c1 49475 CLDWUTZEMPVWPO-UHFFFAOYSA-N 323.274 3.432 0 40 DGAB COc1cccc(OC)c1C(=O)Nc1nnc(CC(C)C)s1 73926 LIMIVFNCRICEKT-UHFFFAOYSA-N 321.402 3.006 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1ccccc1Cl 130826 CHVRJAPBLJWGKD-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)c1cn(C)nc1C(F)(F)F 47196218 QDGBBVKBYCMEET-JTQLQIEISA-N 305.344 3.384 0 40 DGAB CCCc1nc(CNc2cccc(C(=O)NC)c2C)cs1 79065907 RMEVMFZYKYNOLY-UHFFFAOYSA-N 303.431 3.376 0 40 DGAB Cc1ccc(CNC(=O)[C@H](OC(=O)c2ccco2)C(C)C)cc1 1328613 QDDMANDQJFEJFY-MRXNPFEDSA-N 315.369 3.086 0 40 DGAB CCc1ccccc1NC(=O)C[C@H](C)NC(=O)c1ccccc1 23624209 NYJYNOGKKUCCHG-AWEZNQCLSA-N 310.397 3.396 0 40 DGAB CC(C)NC(=O)Nc1cccc(NC(=O)CC[C@@H]2CCCO2)c1 24550380 YDLXNFGVFWDRDN-HNNXBMFYSA-N 319.405 3.114 0 40 DGAB C[C@@H](NC(=O)c1cccc2c1Oc1ccccc1S2)C(=O)O 6442642 FCRUDFQNRPVFBU-SECBINFHSA-N 315.350 3.146 0 40 DGAB O=C(c1ccnnc1)N1Cc2ccccc2-c2ccccc2C1 84576835 ZVQGBPCJFFRZLY-UHFFFAOYSA-N 301.349 3.300 0 40 DGAB CCN(Cc1ccc2c(c1)OCO2)c1ncnc2ccccc12 25006876 IYPUWMRNCCBRMN-UHFFFAOYSA-N 307.353 3.385 0 40 DGAB Cc1cccc(C(=O)N2CCc3[nH]c4ccc(F)cc4c3C2)n1 25533695 JIZRLAVMJJOWSA-UHFFFAOYSA-N 309.344 3.209 0 40 DGAB O=C(COC(=O)c1cccs1)N[C@@H]1CCCc2ccccc21 3260747 YRIOFTFPXQZYSB-CQSZACIVSA-N 315.394 3.099 0 40 DGAB CC(=O)c1c(C)cc(C)c(CN2CCC3(CC2)OCCO3)c1C 26934214 FJYZUTSRBVXHIO-UHFFFAOYSA-N 317.429 3.153 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Nc1ccccn1 58085740 WXVPRNOWADAZNA-CYBMUJFWSA-N 313.405 3.232 0 40 DGAB Cc1ccccc1CN(C)CC(=O)N[C@H](C)c1cccs1 12780018 QEXUBFCKCUQSHM-CQSZACIVSA-N 302.443 3.366 0 40 DGAB Cc1c(C(=O)N[C@@H](C)CC[C@H]2CCCO2)oc2c1C(=O)CCC2 58423976 RXKKOEVNNIXUFA-WCQYABFASA-N 319.401 3.185 0 40 DGAB COc1cc(N)c(Cl)cc1C(=O)OCc1cccc(F)c1 10550953 DTYPGNPZFFWSOQ-UHFFFAOYSA-N 309.724 3.427 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1 48309533 HATJZHBAHYJBGH-WBVHZDCISA-N 318.436 3.439 0 40 DGAB C[C@H]1CN(C(=O)CCCc2nc3ccccc3s2)[C@@H](C)CO1 45446784 RRPUUVYQZUISFH-STQMWFEESA-N 318.442 3.255 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 11178440 DMBCAAAVLQLZCH-UHFFFAOYSA-N 322.408 3.497 0 40 DGAB COc1ccc2cc(CN(C)C(=O)c3cc(C)no3)ccc2c1 36877661 QYJZLYJGHDHABD-UHFFFAOYSA-N 310.353 3.417 0 40 DGAB CN(C)c1ccc(CCCNC(=O)Cc2cccs2)cc1 11693644 DJGOTIQQABLOHY-UHFFFAOYSA-N 302.443 3.106 0 40 DGAB O=C(NCCCN1CCCC1)/C(=C/c1ccco1)c1ccccc1 10450019 XZBRQOJERWORFX-KNTRCKAVSA-N 324.424 3.422 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13127495 IMAZCCKGMHERPG-HOTGVXAUSA-N 306.369 3.433 0 40 DGAB Fc1cc(Cl)cnc1N[C@H]1CCO[C@]2(CCSC2)C1 95426382 IHXAZRZIDABUGC-GXFFZTMASA-N 302.802 3.341 0 40 DGAB CCc1ccc(Cc2cnc(N3C(=N)SCC3=O)s2)cc1 5001299 OTTGYYMJDJSWEQ-UHFFFAOYSA-N 317.439 3.311 0 40 DGAB COc1cc2c(cc1O)NC(=O)C[C@@H]2COCc1ccccc1 65374128 RMCLPLNASFGYMI-CYBMUJFWSA-N 313.353 3.043 0 40 DGAB Cc1cc(C)cc(-n2ncc3c2ncn2nc(C(C)(C)C)nc32)c1 5206383 UYXHBVYDSSCCLV-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1c(F)cccc1F 9385398 VQVKVLLDOCQYHH-UHFFFAOYSA-N 320.295 3.184 0 40 DGAB COc1ccc(CN2CCC(C3CCOCC3)CC2)cc1OC 93705112 BEFATLRRRSPSJR-UHFFFAOYSA-N 319.445 3.342 0 40 DGAB O=C(CN1CCCCCCC1)N[C@@H]1CCCc2ccccc21 6561429 NUPMJULIWCEUQU-GOSISDBHSA-N 300.446 3.446 0 40 DGAB CCN(CC)c1ncc(CN2CCO[C@H](c3ccco3)C2)s1 93841140 BDCAORYKLJOOSO-HNNXBMFYSA-N 321.446 3.156 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)CSc2nc(C(C)C)n[nH]2)c1C 9452102 UILBSCWJDHUIJG-UHFFFAOYSA-N 320.418 3.051 0 40 DGAB O=C(CCc1ccccc1)NC[C@@H](c1ccco1)N1CCCC1 5704781 YGLHDGFCOVKXFC-KRWDZBQOSA-N 312.413 3.166 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3ccccc3)c3c2CCC3)nc1 15525469 JCIPILWEDYKTNG-UHFFFAOYSA-N 318.380 3.317 0 40 DGAB Cc1ccc2nc(CNc3ccc4c(c3)CCC4)cc(=O)n2c1 7242295 DUEPLDNUJYUPIV-UHFFFAOYSA-N 305.381 3.104 0 40 DGAB Cc1ccc(-n2nnnc2N2CCC(c3ccccc3)CC2)cc1 71816315 TWAUKDNWOWYLHC-UHFFFAOYSA-N 319.412 3.355 0 40 DGAB Cc1cccc(C(=O)OCc2nc(-c3ccsc3)no2)c1 15801786 KYDPJTQNPDSEAT-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB COc1cccc(C(=O)N(C)c2ccc3nc(C)[nH]c3c2)c1F 90656647 XFIIRYSQQZLPJB-UHFFFAOYSA-N 313.332 3.296 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 20143845 YCJKNMYHYGIWQQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CCOC(=O)c1sc(CC(=O)Nc2cccc(C)c2)nc1C 7845588 QHUGWAGTNGFZKG-UHFFFAOYSA-N 318.398 3.118 0 40 DGAB CCC(=O)c1cccc(S(=O)(=O)N(CC)Cc2ccoc2)c1 89941801 WWBACUPQWUDPQU-UHFFFAOYSA-N 321.398 3.083 0 40 DGAB COC[C@H](C)NC(=O)c1cc(-c2ccco2)nc2ccccc12 69006666 RODIOSFYVFBUGR-LBPRGKRZSA-N 310.353 3.260 0 40 DGAB COc1ccccc1Cc1nnc(NC(=O)C(C)(C)C)s1 9614698 AQCWRINBPQXJRR-UHFFFAOYSA-N 305.403 3.122 0 40 DGAB O=c1c2ccccc2ncn1Cc1coc(-c2cccs2)n1 8241072 FJNVFWCEMBGPIN-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1ccncc1 69536866 KFNFSDUZKYFWOX-LLVKDONJSA-N 324.302 3.184 0 40 DGAB O=C(Nc1nc(-c2c[nH]c3ccccc23)cs1)c1cnccn1 9724294 ZROOBVIGYVBAHB-UHFFFAOYSA-N 321.365 3.334 0 40 DGAB CCOC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@H]1c1ccco1 8969205 YAACPROIKGSQEL-INIZCTEOSA-N 323.352 3.460 0 40 DGAB Cc1ccc(Cl)c(OC[C@H](O)CSc2nncs2)c1 97114058 FKCRGOYATMWVPA-VIFPVBQESA-N 316.835 3.032 0 40 DGAB O=C(O)c1ccc([C@@H]2CCCN(Cc3ccccc3F)C2)nc1 72343445 AYWXHKFAIARPCK-OAHLLOKOSA-N 314.360 3.299 0 40 DGAB Cc1cnc(CN(Cc2ccccc2)CC2CCOCC2)cn1 75610356 YXPBGQRWNDGSAV-UHFFFAOYSA-N 311.429 3.214 0 40 DGAB CC[C@H](Cc1ccc(C)cc1)NC(=O)c1c(C)cc(C)[nH]c1=O 72502667 ZKOWLEZVHZILJP-MRXNPFEDSA-N 312.413 3.051 0 40 DGAB Cc1nc2ccc(F)cc2c(NCc2ccc(C(N)=O)o2)c1C 95944330 CVUVLYQZQLHEGS-UHFFFAOYSA-N 313.332 3.295 0 40 DGAB CC(C)[C@@H](O)C1(CNCc2c[nH]nc2-c2cccs2)CC1 95989210 UWADPIZYSDWFHP-OAHLLOKOSA-N 305.447 3.025 0 40 DGAB O=C(O)c1ccc(C(=O)N(CCC(F)(F)F)C2CCC2)cc1 95989980 SESABLJLZKEIDG-UHFFFAOYSA-N 315.291 3.332 0 40 DGAB Cc1cccc(C)c1CNC(=O)N[C@H]1CCO[C@H](C2CC2)C1 95943339 NCWPZVRVFXORTR-RDJZCZTQSA-N 302.418 3.060 0 40 DGAB CCn1ncc2c1CCC[C@H]2N[C@@H](C)c1nc(C(C)C)no1 76047068 CWROFAJSQKOSTP-WCQYABFASA-N 303.410 3.138 0 40 DGAB Cc1cc(NC(=O)c2cnc(Cc3ccc(F)cc3)s2)no1 69704071 LLEDEJZPMVHBJW-UHFFFAOYSA-N 317.345 3.422 0 40 DGAB O=C(COc1cccc2c1CCC[C@H]2O)Nc1cccc(F)c1 32691340 IPYNCSROMLCNPB-MRXNPFEDSA-N 315.344 3.213 0 40 DGAB CC(C)(C)SCCNC(=O)COc1cccc(Cl)c1 66739757 YEWFKQLYRLNBGM-UHFFFAOYSA-N 301.839 3.367 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2nnc(SC)s2)cc1 28048223 QFDHXJNBYLDISD-RMKNXTFCSA-N 321.427 3.311 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(CN)c2)cc1Cl 36720787 YPPZQECKCBHACY-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB C[C@H]1CC(C(=O)O)C[C@H](C)N1Cc1ncc(-c2ccccc2)o1 530180332 XSVSFGBKWQPMBW-STQMWFEESA-N 314.385 3.415 0 40 DGAB COc1ccc(C)c2sc(NCCCn3ccnc3)nc12 34936050 UVHZSTQESLUFJM-UHFFFAOYSA-N 302.403 3.312 0 40 DGAB C[C@@H]1CN2CCC[C@H]2CN1Cc1ccc(Br)s1 72324664 DHYMOBDSLLFTKQ-MNOVXSKESA-N 315.280 3.179 0 40 DGAB O=C(c1cccnc1)N1CCCC[C@H]1c1nc2ccccc2[nH]1 40817693 PKQYQHNFAZUWOD-INIZCTEOSA-N 306.369 3.325 0 40 DGAB c1ccc(-c2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 49169353 XMFMXGCJEXGYQN-INIZCTEOSA-N 306.369 3.121 0 40 DGAB biogenic,in-vitro CC(C)c1nc(NCc2cccc3cc[nH]c23)nc(N(C)C)n1 525967877 XTWNHPSORXWMAD-UHFFFAOYSA-N 310.405 3.154 0 40 DGAB O=C(CCc1ccccc1F)NCCOCc1ccccc1 225145371 PABZYDJLZPKSRG-UHFFFAOYSA-N 301.361 3.091 0 40 DGAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCOC)cc1 225731283 CTCPGBZOKKNGID-KRWDZBQOSA-N 309.406 3.246 0 40 DGAB Cc1ccnc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)c1 226747231 MJNONAUOZOOXGW-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB COc1ccccc1O[C@H](Cc1c(C)cccc1C)C(=O)O 225031410 WPRMSEYAFIZCPG-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CNC(=O)Cc1c(C)nn(-c2ccc(Cl)cc2Cl)c1C 42197026 QFVIFLXXEQSZFG-UHFFFAOYSA-N 312.200 3.084 0 40 DGAB CC[C@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)cc1C 223559801 OCDASZJQXIURPI-HNNXBMFYSA-N 322.430 3.338 0 40 DGAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@H]1CCCO1 225324067 WCSVWADHMFYIEB-LLVKDONJSA-N 302.201 3.221 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCOc1ccccc1 224447202 DYNBLRSAUPSUAL-KRWDZBQOSA-N 317.360 3.178 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@@H](c3cccnc3)N21 222649980 BILUQVGMINZHMV-FVQBIDKESA-N 310.426 3.456 0 40 DGAB F[C@H]1C[C@@H](CNC[C@H]2CC=CCC2)N(Cc2nccs2)C1 583621394 BHTJCPJIINWWEB-KKUMJFAQSA-N 309.454 3.001 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCc1c(C)noc1C 96454227 PWKPWJJEINYLGU-HNNXBMFYSA-N 302.374 3.074 0 40 DGAB Cc1nn(C)c(Cl)c1CNc1ccc2oc(CO)cc2c1 585118133 CYLNQTFAPIBNRV-UHFFFAOYSA-N 305.765 3.233 0 40 DGAB COc1ccccc1CN[C@@H](C)Cc1ccc(OC)c(OC)c1 237182236 RKXGZUWEWZYDAS-AWEZNQCLSA-N 315.413 3.433 0 40 DGAB in-vitro COc1cccc(CN2CCOC[C@H]2c2csc(C)n2)c1 96218585 FGMNUDAWSAAFIO-INIZCTEOSA-N 304.415 3.034 0 40 DGAB CC(=O)N1CCC(c2ccnc(-c3ccnn3C(C)C)c2)CC1 257214530 CMIRASNJKWHOBQ-UHFFFAOYSA-N 312.417 3.252 0 40 DGAB O=C1C[C@@H](C(=O)OCc2ccccc2)Nc2cc(F)cc(F)c21 575423886 SIGGHVKNKXKEIF-AWEZNQCLSA-N 317.291 3.075 0 40 DGAB Cc1cc(Br)ccc1NC(=O)c1ncnc(C)c1C 1889128296 AMCMUFBUHOQHDV-UHFFFAOYSA-N 320.190 3.417 0 40 DGAB CC(C)c1cc(C(=O)Nc2ccnn2Cc2ccsc2)n[nH]1 69442838 VPKSPNRRIGRROW-UHFFFAOYSA-N 315.402 3.092 0 40 DGAB O=C(NCc1nc(C2CC2)no1)[C@H]1C[C@@H]1c1cccc(Cl)c1 84367569 OXWJRVKYTXICKK-OLZOCXBDSA-N 317.776 3.020 0 40 DGAB COCCN(Cc1ccc(C)o1)C(=O)Nc1ncc(C)s1 84195431 ZEDLUCDFFXPCGZ-UHFFFAOYSA-N 309.391 3.033 0 40 DGAB COc1ccc2c(c1)CN(C(=O)Cc1c[nH]c3ccccc13)CC2 57407758 CUZOLLQPRLOOEU-UHFFFAOYSA-N 320.392 3.304 0 40 DGAB c1cc2c(c([C@@H]3CCCN3c3nc(C4CC4)no3)c1)OCCO2 76686133 UVDJKPCPWKLAOU-ZDUSSCGKSA-N 313.357 3.060 0 40 DGAB COc1cc(OC)c(NC(=O)C2SCCS2)cc1Cl 89420829 IKSMMUCBMCHILC-UHFFFAOYSA-N 319.835 3.102 0 40 DGAB CC(=O)Nc1cc(NC(=O)Nc2ccncc2F)ccc1C 97135520 JJDCPYLBSUAOAB-UHFFFAOYSA-N 302.309 3.132 0 40 DGAB COC(=O)c1c(NC(=O)/C=C/c2ccco2)sc2c1CCC2 137167 MLYPZMWBDCJUNR-BQYQJAHWSA-N 317.366 3.268 0 40 DGAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 5654367 PDPLCFMKGBFZBX-DXCKQFNASA-N 303.402 3.351 0 40 DGAB Cc1ccc2c(c1)c(C)c(C(=O)NCCC[C@H]1CCOC1)n2C 12148659 PWESDUDRCURJJI-HNNXBMFYSA-N 314.429 3.342 0 40 DGAB COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)c(OC)c1 16265915 IQURPIZLDWWROV-UHFFFAOYSA-N 316.382 3.286 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3cc(C)cc(C)c3)n2)cc1 19910543 QKVGPZFNQPHYPW-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB FC(F)(F)c1cc(N2CC(N3C[C@H]4CCC[C@H]4C3)C2)ccn1 1889074437 JRFSXICQDBIPDY-TXEJJXNPSA-N 311.351 3.021 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1nc2cnccc2s1 1889186946 SYNFMMYAQMPGPX-UHFFFAOYSA-N 313.382 3.099 0 40 DGAB CC(C)c1nsc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)n1 2087131224 IUDFBVBSJCNTNR-GFCCVEGCSA-N 324.494 3.135 0 40 DGAB CCOC(=O)c1sc(=S)n(-c2cccc(OC)c2)c1N 425172 GKKJCLSEGCQGOQ-UHFFFAOYSA-N 310.400 3.036 0 40 DGAB C[C@](O)(CNC(=O)c1ccc(Cl)s1)Cc1ccsc1 618257288 UEQJKTPNLYQJMV-CYBMUJFWSA-N 315.847 3.187 0 40 DGAB Fc1ccc(N2CCN(c3nc4ccccc4o3)CC2)c(F)c1 1458542163 CENPVUTYMWWXCD-UHFFFAOYSA-N 315.323 3.433 0 40 DGAB Cc1ccc(CNC(=O)NCc2ccn(-c3ccccc3)n2)cc1 40149969 WTVWGEJDBVWGJY-UHFFFAOYSA-N 320.396 3.180 0 40 DGAB NC(=O)CCN1CCC(c2nc3cc(Cl)ccc3s2)CC1 40477433 BYCPAYNCWXWIQV-UHFFFAOYSA-N 323.849 3.005 0 40 DGAB Cc1ccccc1-c1noc(CN2CCO[C@H]3CCCC[C@@H]32)n1 40555459 WVROLLIIZXGDJS-HOTGVXAUSA-N 313.401 3.188 0 40 DGAB C[C@H](NC(=O)CCCNC(=O)c1ccsc1)c1ccccc1 32726800 ZUDHDNZKNAMRST-ZDUSSCGKSA-N 316.426 3.136 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3ccncc3)no2)cc1F 21524853 ZWNFGTRUPOWSJZ-UHFFFAOYSA-N 311.316 3.114 0 40 DGAB Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)NC(C)(C)C 32814572 ITFDWQGJRJZBLQ-LBPRGKRZSA-N 317.458 3.475 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCC1(c2ccccc2)CC1 21869726 TUJKTJLLXZVFCA-SDNWHVSQSA-N 313.422 3.309 0 40 DGAB CCOc1ccc(NC(=S)NC(=O)c2cccs2)cc1 503224 AESIAFZXRYGYIP-UHFFFAOYSA-N 306.412 3.274 0 40 DGAB CCCCS(=O)(=O)NCc1ccnc(Oc2ccccc2)c1 53667093 GZNXJUHNXDNVLQ-UHFFFAOYSA-N 320.414 3.093 0 40 DGAB CCc1ccccc1CNC(=O)NCc1ccn(C(C)C)n1 77583326 WSSBYXUMNBXHCA-UHFFFAOYSA-N 300.406 3.026 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2ccc(F)cc2F)cs1 24959426 KULATODASRBQSU-UHFFFAOYSA-N 311.357 3.012 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1c(Cl)cccc1Cl 102439614 CNAQIPOJGFCTLA-RJVLYZLMSA-N 308.164 3.305 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2)[C@@H](C(=O)O)OC1(C)C 56955820 VAHXMEZCPGHDBJ-OLZOCXBDSA-N 321.373 3.184 0 40 DGAB in-vitro Cc1ccc2nc(SCC(=O)c3ccc(O)cc3O)[nH]c2c1 12508072 GOROKCHTQHLIIO-UHFFFAOYSA-N 314.366 3.258 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)s1 84205379 WBLIEBIHBIQRSG-CYBMUJFWSA-N 317.414 3.223 0 40 DGAB Cc1cc(NC(=O)NCc2ccc(OC3CCCC3)nc2)no1 44968771 OWGQHCAYYKCVBT-UHFFFAOYSA-N 316.361 3.021 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)N1CCN(c2ccccc2)CC1 57267269 VSQNYVAXJGPFQX-QGZVFWFLSA-N 323.440 3.144 0 40 DGAB O=C(NCc1cc[nH]n1)N[C@@H]1CCSc2ccc(Cl)cc21 48230092 GQOGGYCRWPIJGH-GFCCVEGCSA-N 322.821 3.099 0 40 DGAB COC(=O)Nc1ccc(NC(=O)NC(C2CC2)C2CC2)cc1 45437757 USFUZSQVZINLTM-UHFFFAOYSA-N 303.362 3.175 0 40 DGAB CC(C)(C)c1nnnn1CCc1ccc(OC(F)(F)F)cc1 95459943 KUDXSKFLVWIBIR-UHFFFAOYSA-N 314.311 3.112 0 40 DGAB CC(=O)c1ccccc1NC(=O)COC(=O)/C=C/c1ccccc1 3390726 XAHKDYZUBPZJDM-VAWYXSNFSA-N 323.348 3.084 0 40 DGAB CCCCOc1cccc(CNC(=O)Cc2c(C)noc2C)c1 48333737 DHUOBYQLLKWLMH-UHFFFAOYSA-N 316.401 3.329 0 40 DGAB O=c1[nH]c(/C=C/c2c(F)cccc2Cl)nc2cnccc12 95463519 URUZRYKQRNRCGG-SNAWJCMRSA-N 301.708 3.281 0 40 DGAB CCc1ccc(CCC(=O)N[C@@H](C)c2nnc3ccccn23)cc1 48374482 ACOVBKDPJSFCPA-AWEZNQCLSA-N 322.412 3.102 0 40 DGAB C[C@H](CO)[C@@H](C)NC(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003132 GRWVMLKQDRNTFO-HTQZYQBOSA-N 322.739 3.080 0 40 DGAB Cc1nn(Cc2ccc(Cl)cc2)c(=O)n1-c1ccccc1F 4072945 ZDJPCOIRDDPFSJ-UHFFFAOYSA-N 317.751 3.183 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)Cc2ccc(F)cc2)c1 6235846 GNKSLLBDQYBOLY-UHFFFAOYSA-N 301.317 3.102 0 40 DGAB CC(=O)Nc1ccc(CNc2c[nH]nc2-c2ccccn2)cc1 97377036 PYMPWNGDRNUFQF-UHFFFAOYSA-N 307.357 3.042 0 40 DGAB CNC(=O)c1cccc(NCc2cc(=O)oc3cc(C)ccc23)c1 9368704 WGFAGQQVVWZIOH-UHFFFAOYSA-N 322.364 3.073 0 40 DGAB CCOc1ccccc1NC(=S)NC(=O)Cc1ccccc1 4621840 SQYCNGMTLIXPRD-UHFFFAOYSA-N 314.410 3.141 0 40 DGAB O=C(CCc1cc(Cl)no1)NCCc1c[nH]c2ccccc12 9419862 QXLCQDIUMPYVNR-UHFFFAOYSA-N 317.776 3.101 0 40 DGAB Nc1ccc(C2(c3ccc(N)cc3)OC(=O)c3ccccc32)cc1 4713050 PLYHMRQAXIKUIV-UHFFFAOYSA-N 316.360 3.313 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NCc2nc3ccccc3n2C)c1 66970769 PQCQRDVTGJCZKX-CYBMUJFWSA-N 322.412 3.383 0 40 DGAB CCc1ccc(NC(=O)[C@@H](C)Nc2ccc3c(c2)OCO3)cc1 6910838 NRYCCVZEDSCKOQ-GFCCVEGCSA-N 312.369 3.417 0 40 DGAB O=C(CCn1ccc2ccccc21)Nn1cnc2ccccc21 22024141 IRTIXNWLDNCLCH-UHFFFAOYSA-N 304.353 3.151 0 40 DGAB Cc1cccc(N2N[C@](C)(c3cccs3)NC2=S)c1C 9553908 SJOITSCLKBNUAM-OAHLLOKOSA-N 303.456 3.437 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccc(Cl)cc1 71859175 JOPJIDWBRYYDLK-BIBXISHDSA-N 313.850 3.036 0 40 DGAB COc1cccc(C(=O)NCc2ccc(CN3CCCC3)cc2)c1 7923710 AUFRNKHESSRLAP-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB C[C@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 7909430 SQHCNAIKWBCPEW-HNNXBMFYSA-N 322.408 3.233 0 40 DGAB C[C@@H](NC(=O)CSc1ncccn1)c1cc2ccccc2o1 8069796 WHVDUDHKGAVHDP-LLVKDONJSA-N 313.382 3.192 0 40 DGAB Cc1cccc([C@@H](C)OC(=O)Cn2ncc(=O)c3ccccc32)c1 71914349 COFWHZDNWVAJEP-CQSZACIVSA-N 322.364 3.009 0 40 DGAB CCO[C@H]1C[C@H](N(C)C(=O)c2cc(C(C)=O)c[nH]2)C12CCCC2 71920835 AEWQAJCYFQEGCK-HOTGVXAUSA-N 318.417 3.027 0 40 DGAB Cc1ncc(CNC(=O)Nc2ccc(N(C)C)c(Cl)c2)s1 71915977 VCYZZFXMUXSOFK-UHFFFAOYSA-N 324.837 3.493 0 40 DGAB O=C(NCC1CCCCC1)[C@@H]1CCCN1C(=O)c1cccs1 9613711 VRBFJDQYSQNTHW-AWEZNQCLSA-N 320.458 3.049 0 40 DGAB Cc1cnn(CCC(=O)Nc2cc(-n3cccc3)ccc2F)c1 69565805 SOYWGHNAVAJNJJ-UHFFFAOYSA-N 312.348 3.150 0 40 DGAB CC[C@H](C)Oc1ccccc1/C=C/C(=O)NC1CCOCC1 69842848 YKYHRNJSBKJLAS-VFNNOXKTSA-N 303.402 3.172 0 40 DGAB COCCn1cc(NCc2coc(-c3ccc(C)cc3)n2)cn1 95427567 PMRDRSBVMPIRIK-UHFFFAOYSA-N 312.373 3.105 0 40 DGAB Cc1cc(C)c(C(=O)N(Cc2ccco2)C[C@H]2CCCO2)o1 95429534 TXHVTMBHZZUGHK-OAHLLOKOSA-N 303.358 3.311 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccc(OCCOC)cc1 85652175 PZXPDKVSVNEFGI-UHFFFAOYSA-N 308.374 3.018 0 40 DGAB CCOC(=O)N1CCC(NC[C@@H]2C[C@H]2c2ccccc2)CC1 89153728 XPDJYFXWBKJJAK-RDJZCZTQSA-N 302.418 3.001 0 40 DGAB CC(=O)N(Cc1ccc(NC(=O)CCOC(C)C)cc1)C(C)C 89869615 KLYDKQQKNUOWRF-UHFFFAOYSA-N 320.433 3.197 0 40 DGAB CO[C@H](C)c1nc(CN2CCN(C)c3ccccc3C2)cs1 89913575 USMAFKIKCKQZDY-CYBMUJFWSA-N 317.458 3.303 0 40 DGAB Cc1nnc(CN(CC(C)C)[C@H]2CCCc3cccnc32)n1C 126965140 LNGDTAPDYLCUML-INIZCTEOSA-N 313.449 3.054 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(F)cc1C 408707629 POPLQWYMYPDHML-CYBMUJFWSA-N 308.397 3.405 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72228035 IZCKXAJNPAQZSN-HOTGVXAUSA-N 300.789 3.318 0 40 DGAB Cc1cc(-c2nnc(NC(=O)Cc3cccs3)o2)c(C)o1 56907236 JSWPXIADQPDTCI-UHFFFAOYSA-N 303.343 3.189 0 40 DGAB COc1ccc(C(=O)N(C)c2nccs2)c(OC(F)F)c1 188534894 BYJIFTRYFCKFLO-UHFFFAOYSA-N 314.313 3.030 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccccc1F)N(c1ccc(O)cc1)C2=O 66088072 DBXKDJFVSIQJLW-QGZVFWFLSA-N 323.327 3.313 0 40 DGAB CSc1ccc(NC(=O)N(CCO)Cc2ccccc2)cc1 79649057 XLEYJUMSRDUKIM-UHFFFAOYSA-N 316.426 3.435 0 40 DGAB COCCc1ncc(CN2CCC[C@@H]2c2cccc(F)c2)cn1 36752895 XQQMBHVHRGDJED-QGZVFWFLSA-N 315.392 3.142 0 40 DGAB Cc1ccc(NC(=O)C2CCN(C(=O)c3ccccc3)CC2)cc1 36171600 RMTWTWDOHQLSSA-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB C[C@H](CN(C)[C@H](C(=O)O)c1ccc(F)cc1)c1nccs1 567595877 RAIOMJKQAIKTKV-MFKMUULPSA-N 308.378 3.143 0 40 DGAB C[C@@H](NCC1CCN(CCO)CC1)c1cccc2ccccc12 69875148 UYLJKTSFKOTWHC-MRXNPFEDSA-N 312.457 3.195 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(N(C)C)c1 225597460 HDNQHEVQKNWUTJ-CQSZACIVSA-N 324.424 3.049 0 40 DGAB CC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(F)(F)F)c1 225790020 IXONSTCZDFQVJT-ZDUSSCGKSA-N 305.296 3.468 0 40 DGAB CCCNC(=O)c1cc(N)ccc1Nc1cccc(C(C)=O)c1 225483528 NUHSFVDMWVTXKZ-UHFFFAOYSA-N 311.385 3.355 0 40 DGAB O=C(CSCc1ccc(F)c(Cl)c1)NC1CCOCC1 195576836 IOBPZAKEJQJEER-UHFFFAOYSA-N 317.813 3.008 0 40 DGAB Cc1cccc(Cl)c1NC(=O)NC[C@](C)(O)c1ccco1 132651871 SPPFEXKCIDJTHQ-HNNXBMFYSA-N 308.765 3.271 0 40 DGAB O=C(O)C[C@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 226750247 UTRARBCPWFGPAZ-HNNXBMFYSA-N 315.344 3.091 0 40 DGAB O=C(CCc1ccccc1F)NCCSCc1ccco1 225837251 AJMCQVMUVSNEBD-UHFFFAOYSA-N 307.390 3.401 0 40 DGAB CO[C@@H]1C[C@@H]2C[C@H](Nc3ccc(-c4n[nH]c(C)n4)cc3)C[C@@H]2C1 575603476 BBYRYTHWTJXKLP-MDBPOYHNSA-N 312.417 3.396 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(F)c(C)c2)cc1 225604795 KBIJVFLONQYCFU-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB CN1C(=O)c2cc(NC(=O)C3CCC3)ccc2Oc2ncccc21 95472598 LKXIJUNGLFLZBR-UHFFFAOYSA-N 323.352 3.203 0 40 DGAB COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1)C(C)(C)C 96411557 ZBKHHAXHTHALAJ-VWYCJHECSA-N 323.355 3.059 0 40 DGAB CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96418844 OLMKBFCEYDUCLB-UICBKCBBSA-N 303.377 3.111 0 40 DGAB c1ccc(CCN2CCC3(CC2)C[C@H](c2cncnc2)CO3)cc1 96073014 UPTCYPWIXGRCIM-SFHVURJKSA-N 323.440 3.058 0 40 DGAB c1csc(CN2CCC3(CC2)CCN(CC2CC2)CC3)n1 96047223 FGOYLJCABWMWIO-UHFFFAOYSA-N 305.491 3.231 0 40 DGAB Cc1ccc2c(c1C)N(C(=O)c1ccc3nnn(C)c3c1)CCC2 333870595 PDODQQLKDLZWTR-UHFFFAOYSA-N 320.396 3.178 0 40 DGAB Cc1ccn2ncc(C(=O)N3CCCCC[C@H]3c3ccco3)c2n1 95399034 DWPLEZIHTSJPQF-HNNXBMFYSA-N 324.384 3.388 0 40 DGAB CC(=O)N1CC[C@H](CN(C)[C@H]2CC[C@@](C)(c3ccccc3)C2)C1 249786135 MELNFCCFLNXFLW-YZGWKJHDSA-N 314.473 3.297 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257201166 AGOUGRHAGBSWCZ-LBPRGKRZSA-N 303.793 3.158 0 40 DGAB O=C(NCc1csc(=O)[nH]1)C1CCC(c2ccccc2)CC1 268750209 USQQLPHCHLFIGY-UHFFFAOYSA-N 316.426 3.027 0 40 DGAB CC(=O)N1CCCN([C@H](C)c2ccc(C(F)(F)F)cc2)CC1 69349370 OGKZMSVMFILYEB-GFCCVEGCSA-N 314.351 3.321 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CC[C@H]1NC1CCSCC1 245287303 BVSOUDSQZHHPBC-MAUKXSAKSA-N 304.503 3.382 0 40 DGAB O=C(Nc1cccnc1Oc1ccccc1)N1CCSCC1 40121146 JTUBOYQRYSLCHJ-UHFFFAOYSA-N 315.398 3.455 0 40 DGAB O=C(N[C@H]1CCN(c2ccccc2)C1)N1CCc2ccccc21 78545940 SUHKVMATVKKTSY-INIZCTEOSA-N 307.397 3.038 0 40 DGAB CO[C@@H](C(=O)NCc1nc2ccccc2s1)c1ccccc1 78781389 QTFGASNDASSJPT-MRXNPFEDSA-N 312.394 3.300 0 40 DGAB CCc1ccc(CC)c(NCc2csc(CC(=O)NC)n2)c1 89284690 LYAMLJQPGPOKLO-UHFFFAOYSA-N 317.458 3.169 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)C1CCCCC1 585300400 YXQBSJUOKMRZNC-UHFFFAOYSA-N 301.434 3.334 0 40 DGAB COc1ccc(OC(=O)OCc2ccc(OC)c(OC)c2)cc1 5064192 YYBGWWBPTVMRQY-UHFFFAOYSA-N 318.325 3.428 0 40 DGAB O=C(COC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccccc1 5127282 YWDJESFEFRLHJR-UHFFFAOYSA-N 313.397 3.385 0 40 DGAB Oc1cc(Br)cc2cc(Br)cnc12 13222632 IKRBVJIHPNQEHU-UHFFFAOYSA-N 302.953 3.465 0 40 DGAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)s1 14740031 HTYZMAZBMZXVLL-SNVBAGLBSA-N 323.443 3.365 0 40 DGAB CC(C)CCNC(=O)CSc1ncc(-c2ccc(F)cc2)[nH]1 19298267 NOQCJIMFHUJMFC-UHFFFAOYSA-N 321.421 3.470 0 40 DGAB CC(C)CC(=O)N1C[C@H](c2ccc(F)cc2)[C@@H]2[C@H]1CCCN2C 19446586 FHAUBQIGDGOHKY-ZHALLVOQSA-N 318.436 3.260 0 40 DGAB c1ccc(C2(c3ccccc3)OC[C@@H]([C@@H]3CCCCN3)O2)cc1 3080605 HGKAMARNFGKMLC-OALUTQOASA-N 309.409 3.445 0 40 DGAB in-man Cc1ccc(C)c2[nH]c(=O)c(CCNC(=O)CC(C)(C)C)cc12 8584014 PDDBAHXTCVULQP-UHFFFAOYSA-N 314.429 3.240 0 40 DGAB O=C(NC[C@@H](c1ccsc1)n1cccn1)[C@H]1CC=CCC1 575612440 AFTWOHJFDGNPMN-ZFWWWQNUSA-N 301.415 3.007 0 40 DGAB O=c1oc2c(O)cccc2cc1-c1nnc(-c2ccccc2)o1 952963003 NCUJAKFZUGKIRN-UHFFFAOYSA-N 306.277 3.216 0 40 DGAB CC(C)=CCC/C(C)=C\CC[C@H](C)NCCN1CCNCC1 20159096 UDVLXVKLNWJVCX-MAYQHFBPSA-N 307.526 3.343 0 40 DGAB Cc1ccc(CN(C)C(=O)c2ccc([S@](C)=O)cc2)cc1 30898222 LYCOIHIMCFHVMP-OAQYLSRUSA-N 301.411 3.005 0 40 DGAB O=C(NCc1ccc(F)cc1)NCc1nc2ccccc2s1 30995283 YPVJJBXLXCPKCR-UHFFFAOYSA-N 315.373 3.435 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)CCc1nc(C3CC3)no1)C2 101217221 RPXHVHQLZHIIBM-JCGVRSQUSA-N 317.433 3.211 0 40 DGAB Cc1ccccc1N1C(=O)c2ccc(C(=O)OC(C)C)cc2C1=O 341354 INSSUEOMIURGAZ-UHFFFAOYSA-N 323.348 3.361 0 40 DGAB O=C(CCSc1nnc(-c2ccco2)o1)Nc1ccccc1 386045 PSKCFUZRZWBLFM-UHFFFAOYSA-N 315.354 3.451 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc4ccccc4n3)ccc21 53280263 MWPIGDJLIWJWEB-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB Nc1nnc(CCSc2ccc(Br)cc2)s1 52902 XERKURIAUACIDH-UHFFFAOYSA-N 316.249 3.218 0 40 DGAB O=C(CNc1ncc(C(F)(F)F)cc1Cl)N1CCCCC1 76748133 XAUMLNDDCIOGMD-UHFFFAOYSA-N 321.730 3.178 0 40 DGAB CN(C)c1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cn1 47790766 KDIBDMUXLJDFBG-UHFFFAOYSA-N 323.352 3.160 0 40 DGAB CCC1=NN(C(=O)c2ccccc2OC)[C@@](O)(c2ccccc2)C1 854855 BIJIEHYFUFYPNW-IBGZPJMESA-N 324.380 3.152 0 40 DGAB O=C(CCCc1cc(Cl)sc1Cl)Nc1nc[nH]n1 79069790 GMOINTZXFLBQHP-UHFFFAOYSA-N 305.190 3.134 0 40 DGAB COc1ccccc1[C@H](CNC(=O)c1ccc(C)cc1)N(C)C 23712178 CKTRRXLQHGGWDL-KRWDZBQOSA-N 312.413 3.036 0 40 DGAB biogenic O=C(NCCCn1ncc2ccccc21)[C@@H]1C[C@@H]1c1ccccc1 72239478 OJULJCKKTRWGIF-QZTJIDSGSA-N 319.408 3.346 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)n1 72235777 SSWAJQOFWDPAJI-PKOBYXMFSA-N 323.440 3.393 0 40 DGAB O=C(CNc1cccc(F)c1)Nc1ccc(N2CCCC2)cc1 12522971 BUDXFAITTYCCEN-UHFFFAOYSA-N 313.376 3.477 0 40 DGAB C[C@H]1Cc2ccccc2N1S(=O)(=O)Cc1ccccc1F 10449991 HLEJXHIEJIPDNE-LBPRGKRZSA-N 305.374 3.107 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N(C)C[C@@H]3CCCO3)s2)o1 56984531 RFIQMAZNBNTMCS-LBPRGKRZSA-N 320.414 3.271 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)NC[C@H](O)c1ccccc1 57158311 JJFLTGPCJQQPJB-HNNXBMFYSA-N 323.314 3.098 0 40 DGAB Cc1cccc2cc(-c3nc(-c4ccccn4)no3)c(=O)oc12 9431226 RFMVRDAPFAOVLZ-UHFFFAOYSA-N 305.293 3.213 0 40 DGAB COc1ccc2cc(C(=O)NCCCOC(C)C)c(C)nc2c1 27074038 MDOCOUWHOWFSJB-UHFFFAOYSA-N 316.401 3.097 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2cccc(F)c2)cc1 1987272 OGQZQWJGYBQGNS-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CCCOc1ccc(NC(=O)NCCn2ccnc2)cc1Cl 48123412 MRGZVXRDJAUGFK-UHFFFAOYSA-N 322.796 3.147 0 40 DGAB CCc1nc(C)c2c(C)c(C(=O)N3CCCCC3)sc2n1 44896839 QEUADIOPRIWPCB-UHFFFAOYSA-N 303.431 3.497 0 40 DGAB CC(=O)Oc1c(Br)cc(C(C)(C)C)cc1C(=O)O 57339582 PELQNXMDHOLRGO-UHFFFAOYSA-N 315.163 3.370 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2ccccc2F)no1 58343544 SWRNLGCMXRZNHQ-UHFFFAOYSA-N 305.353 3.171 0 40 DGAB CNC(=O)c1ccc(NC(=O)N(C)CC2CCCC2)c(C)c1 58423092 SLSQOWHFBRKODS-UHFFFAOYSA-N 303.406 3.009 0 40 DGAB C[C@@H](Oc1ncnc2ccccc12)C(=O)Nc1ccccc1F 3354801 GRTMLJXUKWSTFQ-LLVKDONJSA-N 311.316 3.175 0 40 DGAB CCN1C(=O)[C@H]2[C@@H]3C=C[C@H](C3=C3C4CC5CC(C4)CC3C5)[C@@H]2C1=O 100630331 KGLHNUDTVFYQOY-CTDIEDKESA-N 323.436 3.176 0 40 DGAB O=C(CSc1nc(-c2cccs2)n[nH]1)N1CCCCCC1 3344133 XNKPBULJVFKQDS-UHFFFAOYSA-N 322.459 3.028 0 40 DGAB CCCCCNC(=O)N[C@@H](c1ccc(F)cc1)c1nccn1C 45586593 RCLYVPJFIAWTJB-HNNXBMFYSA-N 318.396 3.138 0 40 DGAB C[C@H]1CN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CCO1 24014489 LOZOPECOZMAPSX-HNNXBMFYSA-N 310.397 3.160 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2nnc3ccccn23)cc1F 29077125 ZGLDMEQZXKUDCB-OAHLLOKOSA-N 324.359 3.154 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)N1CCC[C@H](C)C1 36714411 MRJBVEBWQGLNNP-KSSFIOAISA-N 312.413 3.209 0 40 DGAB CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1cccs1 11923220 AFRLXWUTTNQZAE-UHFFFAOYSA-N 311.410 3.362 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)c2ccc(Cl)o2)no1 96001135 SYJPGGFBAFMCPL-JTQLQIEISA-N 309.753 3.382 0 40 DGAB O=C(c1cn2ccccc2n1)N1CCC(Nc2ccccc2)CC1 63781210 DPQIUFOCOIXFNR-UHFFFAOYSA-N 320.396 3.051 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1ccc(C)c(F)c1 6064041 KGWTZPNLSVRJOU-UHFFFAOYSA-N 316.332 3.110 0 40 DGAB O=c1c2c3c(sc2[nH]c(=S)n1C[C@H]1CCCO1)CCCC3 6279546 BQTGCYKYZJCORG-SECBINFHSA-N 322.455 3.178 0 40 DGAB C[C@H](NS(=O)(=O)/C=C/c1ccccc1Cl)c1ccncc1 65607804 JVOPFXNWLVJCAA-OBIHZWKSSA-N 322.817 3.386 0 40 DGAB C[C@H]1CC[C@H]2C(=O)N(CNc3ccc(Cl)cc3)C(=O)[C@@H]2C1 4593016 KGZGAVOSMRBVRK-ZLKJLUDKSA-N 306.793 3.131 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3F)n[nH]2)cc1 14349157 PTVQEZGBLYZREY-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB Cc1ccc(-c2nnn(Cc3coc(-c4ccccc4)n3)n2)cc1 14807094 MZCMZMORSLUUHP-UHFFFAOYSA-N 317.352 3.352 0 40 DGAB CSc1nnc(NC(=O)Cc2coc3ccc(C)cc23)s1 6809809 BYTICPWJORNXLG-UHFFFAOYSA-N 319.411 3.496 0 40 DGAB COc1cc(OC)c(C(=O)Nc2ccc(C)cc2F)cc1OC 15314085 FMAYRGXIFZQTRD-UHFFFAOYSA-N 319.332 3.412 0 40 DGAB FC(F)(F)COc1ccc(CN2CCOC[C@H]2C2CC2)cc1 90007836 QUUPSESQUSZKPR-HNNXBMFYSA-N 315.335 3.239 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1ccccc1S(C)(=O)=O 7406668 VENMCORWUXDBEJ-UHFFFAOYSA-N 323.801 3.304 0 40 DGAB C[C@@H]1CN(C(=O)NCc2ccsc2)C[C@@H](c2ccsc2)O1 96469837 DKXVLFVEUZSRMT-RISCZKNCSA-N 322.455 3.481 0 40 DGAB C[C@@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccc(F)c1 90955532 XLIBFTNSJFXGGO-CXAGYDPISA-N 316.376 3.239 0 40 DGAB COc1ccc([C@H](C)NC(=O)COc2cccc(F)c2)cc1F 7924865 HSNDXMJCTLBCFB-NSHDSACASA-N 321.323 3.230 0 40 DGAB CCN1CCC[C@H](NC(=O)CCc2ccc(C(C)C)cc2)C1 69348024 YHSWINKKEOYAAY-SFHVURJKSA-N 302.462 3.343 0 40 DGAB CO[C@](C)(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 69453726 IXNITZKRAWJFGS-IBGZPJMESA-N 312.413 3.249 0 40 DGAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)C1CCCC1 71886691 JGHSMNAQEODSMB-ZDUSSCGKSA-N 301.308 3.045 0 40 DGAB CCn1cc(CNCC(C)(C)N[C@H](C)c2ccccc2)cn1 69743607 PYTXZWNPUCDXMQ-OAHLLOKOSA-N 300.450 3.122 0 40 DGAB O=C(c1cccc(-n2cccn2)c1)N(CC(F)(F)F)C1CC1 71909650 NVIAZURGEWZGNF-UHFFFAOYSA-N 309.291 3.039 0 40 DGAB Cc1ccc(NC(=O)c2ccc(Br)o2)cc1C(=O)O 8907865 XWXYNPSFFGWJCY-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@H](C)OC[C@H]1c1ccccc1 84705582 NYGMNCKHHHDTPW-ZFWWWQNUSA-N 314.385 3.400 0 40 DGAB CCOCC1CCN(C(=O)/C=C(\C)c2cccc(OC)c2)CC1 98056375 LLOQLKBTISYRII-NTCAYCPXSA-N 317.429 3.374 0 40 DGAB Cc1ccc2cc(C(=O)N3CCCC[C@@H]3c3nc[nH]n3)ccc2n1 95989306 JBKOLXGRDRVGEV-MRXNPFEDSA-N 321.384 3.029 0 40 DGAB Cc1cc2ccccc2c(N2CCC(C(=O)N3CCCC3)CC2)n1 95994686 FRABBDHTTXJWPS-UHFFFAOYSA-N 323.440 3.382 0 40 DGAB CSC[C@H](C)N(C)C(=O)c1nc(C)oc1-c1ccccc1 95940029 RQVCDJLKSUMUNS-NSHDSACASA-N 304.415 3.474 0 40 DGAB CCC(=O)N1CC[C@H](NCc2csc(C3CC3)n2)[C@H](CC)C1 89949159 ZUJJUNHZHFKKHQ-DOMZBBRYSA-N 321.490 3.147 0 40 DGAB O=C(NCc1ccc(Cl)cc1Cl)[C@@H]1CSCCS1 75567882 BIPKWSHTFKZQCK-NSHDSACASA-N 322.282 3.458 0 40 DGAB Cc1cc(C(=O)Nc2sc(C(C)C)cc2C(N)=O)c(C)o1 27926356 NBHUHBCHTKBJNR-UHFFFAOYSA-N 306.387 3.433 0 40 DGAB CNC(=S)Nc1cc(/C=C/C(=O)O)cc(Cl)c1Cl 216930039 XOKBBVQDMMHJKX-NSCUHMNNSA-N 305.186 3.007 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1ccc(C)o1)[C@H]2C 4028808 GPYNTLZMLIHFFR-NSHDSACASA-N 301.342 3.062 0 40 DGAB biogenic CCOC(=O)[C@@H](C)Nc1ccc(OCc2cccnc2)cc1 79355010 SAQHMAAUXGXRNE-CYBMUJFWSA-N 300.358 3.024 0 40 DGAB Fc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42773538 BRALKCHOHFHKAK-SNVBAGLBSA-N 302.187 3.357 0 40 DGAB CCc1noc([C@H]2CCCCN2C(=O)c2sccc2C)n1 40714486 QMDGSSNVKGDPTR-LLVKDONJSA-N 305.403 3.369 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)NC(=O)c1cccc(N(C)C)c1 225597494 HDNQHEVQKNWUTJ-AWEZNQCLSA-N 324.424 3.049 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CC 223091517 PEKBPFJZNOYGGC-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB CCOCCCNC(=O)[C@H](C)Oc1ccc(C(C)(C)C)cc1 45291930 BZXJVAHRZJODDE-AWEZNQCLSA-N 307.434 3.294 0 40 DGAB Cc1cnc(NC(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)s1 226747398 MZEIVBXQINZZSG-HNNXBMFYSA-N 319.361 3.112 0 40 DGAB CC(C)NC(=O)C1CCN(Cc2ccc(Cl)cc2F)CC1 225573791 PDMZSUGAZLCQJQ-UHFFFAOYSA-N 312.816 3.216 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NCC(C)C 225693023 KRSIECVYTFEBAQ-AWEZNQCLSA-N 322.424 3.115 0 40 DGAB COc1cc(CNc2ccc(CCO)cc2)c2c(c1)C[C@H](C)O2 86257243 IYFQUIMHXGYZBA-ZDUSSCGKSA-N 313.397 3.166 0 40 DGAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(F)cc1 44904765 IEKIUEOWTQUXQD-ZDUSSCGKSA-N 317.360 3.308 0 40 DGAB Nc1ncc(-c2nc(-c3cccc(OC(F)F)c3)no2)s1 89263081 OUZKDCWXKMYJHR-UHFFFAOYSA-N 310.285 3.044 0 40 DGAB O=C(NCCC1=CCOCC1)c1c(O)cc(Cl)cc1Cl 95436802 GRSHHDVELGRQDS-UHFFFAOYSA-N 316.184 3.166 0 40 DGAB CC(C)(C)c1noc([C@@H]2CC(=O)N(C3CCCCCC3)C2)n1 96405244 XHUQDWNRPLTAGI-GFCCVEGCSA-N 305.422 3.406 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNCc1cccc(CS(C)(=O)=O)c1 97098602 XZLQSDKYVUYQRP-YJBOKZPZSA-N 321.486 3.313 0 40 DGAB CCc1ccc([C@H](NC(=O)N[C@@H]2C=C[C@H](CO)C2)C(C)(C)C)o1 96448379 RZGRNYIJFHFGAF-ZENOOKHLSA-N 320.433 3.165 0 40 DGAB C[C@H](NC(=O)NCC[C@@H](O)C(F)(F)F)c1cccc(Cl)c1 95399096 PWPCQUGURANXDV-GZMMTYOYSA-N 324.730 3.014 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)Nc1c(C)noc1-c1ccccc1 97376120 CIMGIRRJXAXFEK-UHFFFAOYSA-N 324.384 3.182 0 40 DGAB Cc1nc([C@@H]2CCCCN2Cc2cscn2)cc2cncn12 257267208 MGJPHSHIATZDQL-INIZCTEOSA-N 313.430 3.221 0 40 DGAB Cc1ccc2[nH]c3c(c(=O)c2c1)CN(Cc1ccccc1)CC3 85345670 IAEVZBDHUJBFNJ-UHFFFAOYSA-N 304.393 3.395 0 40 DGAB C[C@@H]1CCCN(C[C@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253479981 UGAJKEUNTZQXSB-QSUVVDIXSA-N 309.494 3.311 0 40 DGAB Cc1cccnc1CN1CCCC[C@H]1c1ccn2ccnc2n1 257239995 HRQWTMMOUQOVPB-KRWDZBQOSA-N 307.401 3.160 0 40 DGAB O=C(c1cccc2cccnc12)N1CCC[C@@H](c2cnccn2)C1 257288451 PUFWPBBUONVLSW-OAHLLOKOSA-N 318.380 3.045 0 40 DGAB O=C(O)[C@@H]1[C@@H]2CCC[C@@H]2CN1C(=O)c1ccc2sccc2c1 263300362 DCYJMUKHTFZWLV-NFAWXSAZSA-N 315.394 3.227 0 40 DGAB Cc1csc(NC2CCN(Cc3cnc(C4CC4)o3)CC2)n1 585124009 UMHCVIREUJNJBY-UHFFFAOYSA-N 318.446 3.393 0 40 DGAB O=C(O)CCCN1CCO[C@H](c2ccc(Cl)c(Cl)c2)C1 71777072 VDYYGCIOYOMVKF-ZDUSSCGKSA-N 318.200 3.232 0 40 DGAB Nc1ccc(OC(F)(F)[C@@H](F)[C@H](O)C(F)(F)F)c(Cl)c1 72265912 YLIIXVNFWPELLJ-YUMQZZPRSA-N 323.620 3.155 0 40 DGAB CSCC[C@@H](C)NC(=O)NCc1ccc(-c2ccn[nH]2)cc1 76018067 KJXSELUALZGZNU-GFCCVEGCSA-N 318.446 3.018 0 40 DGAB CCO[C@@H]1C[C@H](N(C)C(=O)c2c(C)noc2C)C12CCCC2 76019455 LRDQHTIVBKKWMP-UONOGXRCSA-N 306.406 3.101 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)no1 76043591 SMMVVFJPDXPZJG-HZPDHXFCSA-N 311.385 3.162 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)[C@@H](C)OC(=O)/C=C/c1ccccc1 6033578 LGPUFMUNOIMBHS-UUROSADMSA-N 315.413 3.326 0 40 DGAB O=C1c2ccccc2C(O)(c2ccc(O)cc2)c2ccccc21 5699184 GACDXVXIRNYJJV-UHFFFAOYSA-N 302.329 3.221 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)c1 12348734 IKVWSTBDURLXKZ-INIZCTEOSA-N 302.443 3.398 0 40 DGAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@@H]1CCCO1 12580936 BYABAFIBHMJAFG-AWEZNQCLSA-N 313.382 3.180 0 40 DGAB CSc1ccc([C@@H](NCc2ccccc2)P(=O)(O)O)cc1 12997477 UUUJSCXPTTYYCP-HNNXBMFYSA-N 323.354 3.375 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 13003369 GOXYMURSRGLSKD-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CCOc1ccccc1CCCNC(=O)c1ccccc1OC 13647235 NBWKTIMVBXYXEC-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@@H](C(=O)O)C1 15445998 UHRXHCZPUWORFZ-KGLIPLIRSA-N 305.374 3.112 0 40 DGAB COc1cc(Cl)c(C)cc1Nc1c(C)c(C)nc2ncnn12 15786641 WMDFEKVQBINIRG-UHFFFAOYSA-N 317.780 3.455 0 40 DGAB COc1ccc2sc(NC(=O)c3ccnn3C(F)F)nc2c1 19563730 LBWJRPYSFLPRCM-UHFFFAOYSA-N 324.312 3.149 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1ccc(Br)c(F)c1 575362166 KEPKLOOEJILMNC-UHFFFAOYSA-N 303.127 3.113 0 40 DGAB C[C@H]1C[C@H]1C(=O)N1CCC(c2nc3ccccc3cc2N)CC1 19462799 PQNMHZOAYOOFFR-SWLSCSKDSA-N 309.413 3.179 0 40 DGAB Cc1ccc(OC[C@H](O)CN2CCC[C@H](C(F)(F)F)C2)cc1 40160685 PXTZHWZXNNTDBM-UONOGXRCSA-N 317.351 3.009 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@H](C(F)(F)F)C2)s1 40526701 BIFAFBSIBPLWHW-QMMMGPOBSA-N 322.356 3.297 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2ccc(C(C)(C)C)cc2)C1 255118 VRUGKINYMYJVIN-OAHLLOKOSA-N 317.429 3.399 0 40 DGAB O=C(O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](CCc2ccccc2)N1 352624 UKEVAKNXUXYFDV-MSOLQXFVSA-N 320.392 3.441 0 40 DGAB biogenic C[C@@H]1CC(=O)NC(=S)N1c1ccc(Oc2ccccc2)cc1 386551 AMKSHWPNSOMRCY-GFCCVEGCSA-N 312.394 3.479 0 40 DGAB C[C@@H](Sc1nnnn1C(C)(C)C)C(=O)c1cccc(Cl)c1 32823836 MOCNKVHRUYEOOW-SECBINFHSA-N 324.837 3.445 0 40 DGAB Cc1cc(CN(C)Cc2nc(-c3ccc(C)c(F)c3)no2)no1 42132287 WHMOZHIZHCKKCK-UHFFFAOYSA-N 316.336 3.113 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)CCc3cccnc3)C2)n1 72298845 TUFKWRBCBHWMGS-OAHLLOKOSA-N 315.442 3.185 0 40 DGAB O[C@@H]1c2ccccc2CC[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 1639147 XIRXXXXJQVXTQG-VHSXEESVSA-N 314.225 3.138 0 40 DGAB COC(=O)c1c(NC(=O)[C@H]2C[C@H]3CC[C@@H]2C3)sc2c1CCC2 3900003 UYDGUDMMEGWQTI-UMNHJUIQSA-N 319.426 3.398 0 40 DGAB Cc1cc(NC(=O)c2cc3ccccc3oc2=O)ccc1N(C)C 24646064 JGUSOLAQEOHEKS-UHFFFAOYSA-N 322.364 3.420 0 40 DGAB Cc1cc2oc(=O)cc(COc3ccccc3C(N)=O)c2cc1C 4550301 JFFCKHGTLDQMPD-UHFFFAOYSA-N 323.348 3.088 0 40 DGAB c1csc(-c2noc(CSc3nnc4ccccn34)n2)c1 7214240 XGOBGMFCANQZAO-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB C[C@H](NC(=O)N[C@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 107526828 BHFJAVJJMYFHTP-QRTARXTBSA-N 320.458 3.102 0 40 DGAB Cc1cccc(N2CCN(Cc3noc4c3CCCC4)CC2)c1 108851410 VEJUYYLOHJSFQP-UHFFFAOYSA-N 311.429 3.184 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C 3247512 HILFFRZHVSAEJJ-GFCCVEGCSA-N 315.394 3.191 0 40 DGAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1cc(-c2ccco2)[nH]n1 28245808 DVVLDYXDUMALEG-UHFFFAOYSA-N 319.324 3.312 0 40 DGAB C[C@H](CCc1ccccc1)NC(=O)COC(=O)c1cccs1 3237821 YXHGIEVDZDOAGV-CYBMUJFWSA-N 317.410 3.042 0 40 DGAB CN(Cc1ccccc1N1CCOCC1)c1ccccc1C#N 12608125 KAXDLRZNNSQMFV-UHFFFAOYSA-N 307.397 3.031 0 40 DGAB COC(=O)CCCN(C)C(=O)CC12CC3CC(CC(C3)C1)C2 55438595 SYUGPTZFJYIIRL-UHFFFAOYSA-N 307.434 3.005 0 40 DGAB Cc1nc2n(n1)CCC[C@@H]2NC(=O)Nc1c(C)cccc1Cl 97161905 NCFFHSBRDOKVFF-LBPRGKRZSA-N 319.796 3.205 0 40 DGAB NC(=O)[C@H](Oc1ccccc1Br)c1ccccc1 44920320 NZOXVHHUPMJAEO-CYBMUJFWSA-N 306.159 3.055 0 40 DGAB CCC(=O)Nc1cccc(C(=O)N[C@H]2CCOc3ccccc32)c1 48227882 PKJNJWUTIYWBAN-INIZCTEOSA-N 324.380 3.289 0 40 DGAB CCc1ccc(OC[C@H](O)COc2ccc(OC)cc2)cc1 28580669 WOQAGWZSCPSWCD-HNNXBMFYSA-N 302.370 3.076 0 40 DGAB Cc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)nc1 9114068 PRFNDZJLGKRLIH-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB Cc1ccc(/C=C2/SC(=O)N(CN3CCCC3)C2=O)cc1 59457407 POERYODLYNYSOH-GXDHUFHOSA-N 302.399 3.085 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)cc1 10682995 AWVOXXQWRNXWPV-OAHLLOKOSA-N 307.440 3.486 0 40 DGAB CSc1ccc(/C=C/C(=O)OCC(=O)NC2CCCC2)cc1 3406902 CCOVXRQVIOTFKP-DHZHZOJOSA-N 319.426 3.024 0 40 DGAB CC(C)N1CC[C@H](CNC(=O)[C@H](C)SCc2ccccc2)C1 63706301 DNZVXGONVCXJPT-DOTOQJQBSA-N 320.502 3.155 0 40 DGAB CC(C)(C)c1cc(C(=O)NCCc2c[nH]c3ccccc23)n[nH]1 13570481 XAYUDZPGFLLLCU-UHFFFAOYSA-N 310.401 3.161 0 40 DGAB Cc1noc([C@@H](C)NC(=O)c2[nH]c3ccccc3c2Cl)n1 64333441 WUGJRQAXPCWVEV-SSDOTTSWSA-N 304.737 3.004 0 40 DGAB Cn1nccc1C(=O)Nc1ccc(-c2nc3ccccc3o2)cc1 13655395 VXJWDQYWQLLAKS-UHFFFAOYSA-N 318.336 3.481 0 40 DGAB CCSc1nnc([C@@H](NC(=O)OC(C)(C)C)C(C)C)o1 5047240 MYWPCCQHKMOCBT-VIFPVBQESA-N 301.412 3.403 0 40 DGAB CC(C)CN(CC(F)(F)F)C(=O)CN(C)C1CCCCC1 97466606 ZMJGGCJBFXJSKG-UHFFFAOYSA-N 308.388 3.298 0 40 DGAB CCc1noc(C)c1C(=O)N1C[C@H](c2ccccc2)O[C@H](C)C1 65498404 ZLKMQSNZEDQVRS-MLGOLLRUSA-N 314.385 3.148 0 40 DGAB CC(=O)c1cc(C(=O)N2CCCC[C@H]2Cc2ccccc2)n(C)c1 65517779 XTHFOZUGEUWLBD-SFHVURJKSA-N 324.424 3.465 0 40 DGAB CCN(CC)c1ccc(C(=O)NCc2ccc(C)c(F)c2)cn1 65540118 BSSBHTVQYMBCLY-UHFFFAOYSA-N 315.392 3.305 0 40 DGAB COc1cccc(-c2ccc(=O)n(Cc3ccc(F)cc3)n2)c1 5399964 VLTOLJHXYJMICW-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)O)c2)cc1C 5516173 NBRZZCCJFHLZHN-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CCc1cc2c(CSc3nncs3)cc(=O)oc2cc1O 7194997 SWAHIUIFPXBZMQ-UHFFFAOYSA-N 320.395 3.205 0 40 DGAB C[C@H]1[C@@H](C)SCCN1C(=O)c1cccc(NC(=O)C2CC2)c1 96411128 FNSHBKZRUSJKJO-NWDGAFQWSA-N 318.442 3.001 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N[C@@H]2CCCC[C@H]2C)cc1 7786489 XXZAYYGGTQVCGP-UMBJVVCDSA-N 301.386 3.181 0 40 DGAB Cc1nnc2n1C[C@H](CNCc1csc3ccccc13)CC2 71871881 CHMOGWTXFFRKHB-ZDUSSCGKSA-N 312.442 3.153 0 40 DGAB O=S(=O)(Cc1c(Cl)cccc1Cl)C[C@H]1CCCO1 71863010 ZAGGFLKURKMPDA-SECBINFHSA-N 309.214 3.087 0 40 DGAB c1ccc(-c2nccc(N3CCC[C@@H]3Cn3cccn3)n2)cc1 69740562 KKFIOLIGNFUTJB-MRXNPFEDSA-N 305.385 3.009 0 40 DGAB Cc1c(C(=O)Nc2ccccc2Cl)cnn1-c1ccccn1 8715141 XXLHVUGETQLYBS-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CNC(=O)c1ccccc1NC(=O)Cc1c(F)cccc1Cl 19208100 UUBMFRWVOFRMMT-UHFFFAOYSA-N 320.751 3.020 0 40 DGAB CCn1c([C@@H]2CCCN2CCn2cccn2)nc2ccccc21 84131445 WSHZNNWUQJXSNU-KRWDZBQOSA-N 309.417 3.090 0 40 DGAB CNC(=O)N[C@@H](c1ccccc1C(F)(F)F)C(F)(F)F 97053104 QXLANTUYFAXVHV-QMMMGPOBSA-N 300.202 3.238 0 40 DGAB c1ccc2c(c1)CC[C@@H]2Nc1ccc(CN2CCOCC2)cn1 97038811 ZGIOGJVQYFOUGG-SFHVURJKSA-N 309.413 3.013 0 40 DGAB Cc1noc(CCC(=O)N2CCC[C@@H]2c2ccccc2Cl)n1 97017869 BSQDAFRKKGMRGO-CQSZACIVSA-N 319.792 3.328 0 40 DGAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)[C@H]1CCOC1 95977876 XZNYTFVMHYLCIB-YFKPBYRVSA-N 310.564 3.327 0 40 DGAB O=C(O)c1ccc(C(=O)N(CC2CCC2)CC(F)(F)F)cc1 95989979 UXLAYYMNNBHZOW-UHFFFAOYSA-N 315.291 3.189 0 40 DGAB C[C@@H](NCC(=O)Nc1ccncc1)c1ccc(F)c(Cl)c1 95984587 UJTCVZGLTGDHHR-SNVBAGLBSA-N 307.756 3.163 0 40 DGAB Cc1nc([C@@H](C)NC(=O)c2ccccc2Cl)sc1C(=O)O 95997238 VMECNHODUWHEMZ-MRVPVSSYSA-N 324.789 3.294 0 40 DGAB Clc1ccc(OCCCn2ccnc2-c2cnccn2)cc1 75126783 MYDBBJCBBGFZTN-UHFFFAOYSA-N 314.776 3.463 0 40 DGAB O=C(c1ccc(Cl)cn1)N1CCC[C@H](Nc2ccccc2)C1 89845685 FVRABOVNSGJCTG-HNNXBMFYSA-N 315.804 3.452 0 40 DGAB CCOc1cc(Cl)ccc1NC(=O)N[C@@H](C)c1cnn(C)c1 89990958 AOUQZEHTYVSYNR-JTQLQIEISA-N 322.796 3.355 0 40 DGAB CCCn1cc(NC(=O)Nc2cc(F)c(OC)c(F)c2)cn1 72510147 ULUFGJAMTZDGLP-UHFFFAOYSA-N 310.304 3.224 0 40 DGAB COCCNC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 42842663 TXNAPZMOSVQJEN-CYBMUJFWSA-N 319.430 3.179 0 40 DGAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCc1ccccc1C(=O)O 539681956 HNIBCOTUVFSQMM-YJYMSZOUSA-N 323.392 3.367 0 40 DGAB CN(CC(C)(C)C)C(=O)NCc1nc(C(F)(F)F)cs1 77584509 KKBZXVNKACRSIH-UHFFFAOYSA-N 309.357 3.349 0 40 DGAB CCCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 39916626 XICHEIGJTIMNSC-UHFFFAOYSA-N 306.365 3.315 0 40 DGAB O=C(N=c1cc[nH]c2ccccc12)[C@H]1CCOc2ccccc21 545195276 FNHAOFFRIOCQJE-AWEZNQCLSA-N 304.349 3.162 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc(-c2ccc(OC)cc2)cc1 72414502 TVZSEVSJWNZAGF-UHFFFAOYSA-N 319.426 3.393 0 40 DGAB Cc1oc(-c2ccco2)nc1CC(=O)NC[C@@H]1Cc2ccccc21 79333644 ZKNGXRWPNOPSCX-AWEZNQCLSA-N 322.364 3.242 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2cccc(F)c2)C1 225728419 VDBOTHRHRAPMRI-KBPBESRZSA-N 323.481 3.480 0 40 DGAB COc1ccc2oc(=O)c(C(=O)N(C)Cc3ccccc3)cc2c1 226038287 HIWOZGWCFCOSDR-UHFFFAOYSA-N 323.348 3.074 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC1CCCCC1 224676050 CJMKYGGXVADFBZ-OAHLLOKOSA-N 316.445 3.263 0 40 DGAB COCc1cccc(N[C@H](C)C(=O)NCc2cccs2)c1 62640077 DDYRMDXJFCICBK-GFCCVEGCSA-N 304.415 3.011 0 40 DGAB C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cnnc2ccccc12 529220299 CAFOGSQXWPXILS-BXKDBHETSA-N 309.291 3.043 0 40 DGAB Cc1ccccc1[C@@H]1C[C@@H]1C(=O)Nc1ccc([S@](C)=O)cc1 80519423 HKCPXWRWRYTHDG-PNLZDCPESA-N 313.422 3.475 0 40 DGAB O=C(CCc1ccccc1F)c1ccc(N2CCOCC2)cc1 228929380 OTCXSXLLGGDPFJ-UHFFFAOYSA-N 313.372 3.478 0 40 DGAB Cc1ccnc(NC(=S)NCc2ccc(-n3ccnc3)cc2)c1 225455483 BCWWGXQPADEWRO-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB Cc1ccc(CCCNC(=O)c2ccc3c(c2)OCCO3)cc1 225399933 HMCJEYVDLQLWMN-UHFFFAOYSA-N 311.381 3.129 0 40 DGAB CC(C)c1c(C(=O)N2CCC[C@H]3C[C@H]32)cnn1-c1ccccn1 585082207 DLLUDVJXTXPMLC-DZGCQCFKSA-N 310.401 3.015 0 40 DGAB C[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1csc2ccccc12 95406644 OSHDLJQZUSIUMQ-FRRDWIJNSA-N 316.426 3.199 0 40 DGAB CCc1ccc([C@@H]2CCCCCN2C(=O)CCNC(=O)OC)o1 96416737 UBUVMFLYPCWHLK-AWEZNQCLSA-N 322.405 3.032 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)c(C)c1 95915136 LANLOUWOOUGTNK-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1ccc(CN2CCc3c(COCC4CC4)cncc3C2)o1 96189399 VYVORNZUMNAGTR-UHFFFAOYSA-N 312.413 3.468 0 40 DGAB CCN1CCC2(CC1)C[C@H](NCc1nccn1C)c1ccccc12 96241436 BPXFYPNRENOEDW-SFHVURJKSA-N 324.472 3.008 0 40 DGAB O=C(O)CO[C@@H](c1ccc(C(F)(F)F)cc1)C(F)(F)F 95096421 BEVTVZZWWLFEAF-VIFPVBQESA-N 302.170 3.410 0 40 DGAB CC(C)CC[C@H]1CCCN(C(=O)c2cnc3c(c2)ncn3C)C1 97235051 DAJJXRGLBYUIPI-CQSZACIVSA-N 314.433 3.257 0 40 DGAB O=C(CCc1ccccc1Br)NCCc1ccoc1 96120581 QOGMOKCRGHDWAP-UHFFFAOYSA-N 322.202 3.334 0 40 DGAB O=S(=O)(NCCc1ccc(-c2ccsc2)s1)C1CC1 575414103 VIPXMZPLXUOCJC-UHFFFAOYSA-N 313.469 3.101 0 40 DGAB CN(C)Cc1cc([C@H]2CCCN2C(=O)c2ccsc2)ccn1 585182246 HVHAPIKTJLQGBK-MRXNPFEDSA-N 315.442 3.182 0 40 DGAB C[C@H]1C[C@@H]2[C@@H](CC(=O)N2C2CCCCC2)[C@@H]1CNC1CCC1 1775964368 KLHPILWUAZOLSE-VIBAHUMZSA-N 304.478 3.334 0 40 DGAB biogenic,in-vitro CC(C)COC1CCN(C(=O)Cc2c[nH]c3ccccc23)CC1 55909810 IHMXMPQYTAJKDL-UHFFFAOYSA-N 314.429 3.374 0 40 DGAB O=c1[nH]ncc(NCCc2csc3ccccc23)c1Cl 76839912 BDSYAWPOCPEMQM-UHFFFAOYSA-N 305.790 3.293 0 40 DGAB Cc1ccoc1C(=O)NCc1ccc(-n2ccnc2C)c(F)c1 84251144 PAFNSKZFMKZBFK-UHFFFAOYSA-N 313.332 3.151 0 40 DGAB CCc1nn(C)cc1NC(=O)CCC(=O)c1ccc(C)c(C)c1 91157370 CJTTVFWYIMRGJO-UHFFFAOYSA-N 313.401 3.201 0 40 DGAB Cc1ccc(C)c(C[C@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 1772714752 QGJLJXOIWQHSDN-CQSZACIVSA-N 307.390 3.214 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N[C@H]1OC(=O)C(Cl)=C1Cl 5640122 IKHMESSSNCLQAP-VIFPVBQESA-N 321.547 3.034 0 40 DGAB O=C(CCSCc1ccccc1)NCCN1CCCCCC1 13688194 ICRCQORRWFFWAC-UHFFFAOYSA-N 320.502 3.302 0 40 DGAB O=C1CCc2cc(NC(=O)c3ccccc3Cl)ccc2N1 17170881 WKXPVTSCTKLVHK-UHFFFAOYSA-N 300.745 3.477 0 40 DGAB C[C@@]12CCN(Cc3ccnc4ccccc34)[C@@H]1CCCCC(=O)N2 19713722 JQKDFLFQVIWNEI-UYAOXDASSA-N 323.440 3.258 0 40 DGAB CCCCCc1cc(OC)c2c(c1C(=O)O)OC(C)(C)[C@@H](O)C2 36375308 PHGWUQBLUYCCIS-AWEZNQCLSA-N 322.401 3.201 0 40 DGAB biogenic,in-vitro COc1ccc2cc(C(=O)NCc3ccc(C4CC4)nc3)[nH]c2c1 1565523637 VOYKJKZKKSWFCN-UHFFFAOYSA-N 321.380 3.379 0 40 DGAB O=C(NCc1cc(-c2ccccc2F)on1)c1cccs1 16838507 JTPZDPYDNRUPTK-UHFFFAOYSA-N 302.330 3.472 0 40 DGAB O=C(/C=C/c1ccoc1)NC[C@H](O)c1cccc2ccccc12 206702008 HZBRTVJAQFIEAS-BLGFXRMMSA-N 307.349 3.296 0 40 DGAB COc1ccc(F)cc1C(=O)OCc1cn2cc(C)ccc2n1 31253224 YTXUBHBOVMSXSP-UHFFFAOYSA-N 314.316 3.147 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 282625 YOBSDWXUDPKZDW-GFCCVEGCSA-N 314.772 3.332 0 40 DGAB CCn1c(CCNC(=O)c2ccc(F)cc2)nc2ccccc21 200991 FMRJTUNPMWAPIF-UHFFFAOYSA-N 311.360 3.168 0 40 DGAB aggregator O=C(NC[C@H]1CCCO1)c1ccc(C2SCCCS2)cc1 32736116 SDWFQURXEYTXSA-CQSZACIVSA-N 323.483 3.464 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)CCc3ccsc3)cc2NC1=O 32772910 DSKGVXKSFFBYPX-JTQLQIEISA-N 316.382 3.039 0 40 DGAB CNC(=O)c1ccc(OCc2cc(F)cc3cccnc23)cc1 41721875 PHHQEGBTSSKCAT-UHFFFAOYSA-N 310.328 3.313 0 40 DGAB NC(=O)C(CCN1CCCCC1)(c1ccccc1)c1ccccc1 1438 UETXPGADPCBQFT-UHFFFAOYSA-N 322.452 3.334 0 40 DGAB in-man COc1cc(OC)c([C@@H]2CC(=O)Nc3ccsc32)cc1OC 12418207 IKMUPTOUENJPJH-JTQLQIEISA-N 319.382 3.248 0 40 DGAB C[C@H](Cc1nnc(NC(=O)[C@@H]2CCCO2)s1)c1ccccc1 9095490 YFQCLJUNCTZTLO-YPMHNXCESA-N 317.414 3.002 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1C[C@@H]1c1ccccc1F 84502239 AFVDQQJYFGYGKY-GHMZBOCLSA-N 303.362 3.297 0 40 DGAB O=C(Nc1ccccc1Cc1ccccc1)N1CCC[C@@H]1CO 78791071 MIHRDSXYVDPZFE-QGZVFWFLSA-N 310.397 3.266 0 40 DGAB CCOc1ccccc1CNCCc1ccc(OC)c(OC)c1 4700583 DFTRMDUORWUEAC-UHFFFAOYSA-N 315.413 3.435 0 40 DGAB OCCN(C(=S)Nc1ccc2conc2c1)c1ccccc1 7095099 VNGOXFALCAWGQP-UHFFFAOYSA-N 313.382 3.024 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(C(=O)O)c2)cc1Cl 7604159 DSSUCTRLGWRTMQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(NCc1ccccc1-n1ccnc1)N1Cc2ccccc2C1 106266290 XCKZDFZVXQHJNO-UHFFFAOYSA-N 318.380 3.098 0 40 DGAB CCn1c(C)cc(C(=O)COC(=O)c2ccc(C)c(O)c2)c1C 10981042 TZQUJNCHOSUXCY-UHFFFAOYSA-N 315.369 3.179 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(C)cccc2C)s1 3217251 MIOVKPWSLILVLF-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)CCCc2cccs2)C1 43589660 WFTAGEJXKMPBBQ-ZDUSSCGKSA-N 309.431 3.174 0 40 DGAB Cc1noc(C)c1COc1ccc(C(=O)N[C@@H](C)C2CC2)cc1 25591790 KAJDOOGIEVLDAK-NSHDSACASA-N 314.385 3.399 0 40 DGAB Cc1nc(C)c(C(=O)N2CCSC[C@H]2c2ccccc2)o1 89558105 MNEMLJFNQJYRMT-AWEZNQCLSA-N 302.399 3.222 0 40 DGAB COC(=O)c1ccccc1NC(=O)c1ccc(C(F)(F)F)nc1 26153833 QHVOHVMZHDZWNK-UHFFFAOYSA-N 324.258 3.139 0 40 DGAB CC(=O)Nc1nc(-c2ccc(NC(=O)C(C)C)cc2)cs1 12622876 CFZCLCRTJUYASH-UHFFFAOYSA-N 303.387 3.363 0 40 DGAB CCc1nc(CN2CCO[C@H](c3ccc(F)cc3)C2)cs1 44737350 HAPUZJNFIPYZOU-HNNXBMFYSA-N 306.406 3.418 0 40 DGAB Cc1cc(CN(C)C(=O)c2csc3c2CC[C@@H](C)C3)no1 48286105 WUVSCANYCXNUKW-SNVBAGLBSA-N 304.415 3.442 0 40 DGAB Cc1ccc(C(=O)N2CCC(C(=O)N[C@H](C)C(C)C)CC2)cc1 58142490 MAFIBFAFBINHFL-OAHLLOKOSA-N 316.445 3.008 0 40 DGAB O=C(Cc1ccccc1F)NCc1ncc(-c2ccccc2)[nH]1 58281800 MBOHNHLVFQYUEV-UHFFFAOYSA-N 309.344 3.075 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 44917295 YSRNKYYUPIHNTH-AOOOYVTPSA-N 317.414 3.116 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@H](C)c2ccccc2)c1 12743519 VQNWXGLXSGQUJS-LSDHHAIUSA-N 311.381 3.418 0 40 DGAB O=C(NCC1CCN(Cc2cccs2)CC1)[C@@H]1CC=CCC1 58344339 MQQULNOOCKMKIU-MRXNPFEDSA-N 318.486 3.433 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)c(C)c1 12797219 LKPPIQJBMUVZFC-UHFFFAOYSA-N 300.358 3.045 0 40 DGAB C[C@H](O)CN(Cc1nc(-c2cccs2)no1)c1ccccc1 58425708 AZHXURZWZHSUME-LBPRGKRZSA-N 315.398 3.186 0 40 DGAB CC(C)CN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)C(C)C 58779595 WHBULPJQQOHKRO-UHFFFAOYSA-N 315.417 3.062 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)Nc1ccc(F)c(F)c1 11378773 BPOWHSVNCMKMSH-GQCTYLIASA-N 311.719 3.312 0 40 DGAB COc1ccc(C(=O)NCC2(c3ccccc3)CCC2)c(O)c1 45728881 CKVMDBYSQKMQPY-UHFFFAOYSA-N 311.381 3.253 0 40 DGAB COC[C@H](C)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 62466072 JMJOVQOVNAIYPO-ZDUSSCGKSA-N 315.417 3.092 0 40 DGAB Cc1nn(Cc2cc(C(=O)O)c3ccccc3n2)c(C)c1Cl 2554027 ZZWQAHYMOUVCGN-UHFFFAOYSA-N 315.760 3.448 0 40 DGAB CSc1nc2c(c(Nc3cccc(NC(C)=O)c3)n1)CCC2 11907870 MGGYLCMUBCPQRX-UHFFFAOYSA-N 314.414 3.389 0 40 DGAB C[C@H](c1ccccn1)N1CCN(C(=O)OC(C)(C)C)[C@H](C)C1 101682169 WGIOAFJQUPMPKY-ZIAGYGMSSA-N 305.422 3.084 0 40 DGAB O=C(NC1=NCCS1)C1c2ccccc2Oc2ccccc21 2736717 VIYBRPQPBZBEJK-UHFFFAOYSA-N 310.378 3.143 0 40 DGAB Cc1cc(NC(=O)COc2cccc(Cl)c2Cl)no1 3485433 OAJLWFIGCVEFBF-UHFFFAOYSA-N 301.129 3.307 0 40 DGAB c1cc(NCc2nc(C3CCCC3)no2)c2c(c1)OCCO2 95972972 QNQIWUALYFZXAK-UHFFFAOYSA-N 301.346 3.111 0 40 DGAB CCc1cccc(C)c1NC(=O)CCNC(=O)c1cccs1 12975166 ROZMNHCEOUWBDI-UHFFFAOYSA-N 316.426 3.378 0 40 DGAB O=C(/C=C/c1cc(F)cc2c1OCOC2)NCc1ccccc1 12995650 TYUTZEVHUCNBGM-VOTSOKGWSA-N 313.328 3.022 0 40 DGAB O=C(Nc1cc(C2CC2)[nH]n1)c1ccc(Br)cc1 13580432 NUDSGDYZHKNNPW-UHFFFAOYSA-N 306.163 3.302 0 40 DGAB CCCCc1c(O)c2c([nH]c1=O)C[C@@H](c1ccccc1)CC2=O 4114649 IFRBGIPRJDKYMX-CYBMUJFWSA-N 311.381 3.336 0 40 DGAB O=C1NC(=O)/C(=C/c2ccc(Sc3ccc(Cl)cc3)o2)N1 14010108 XEZGXZOPDHWWAF-XFFZJAGNSA-N 320.757 3.265 0 40 DGAB Cc1cc(Br)ccc1NC(=O)/C=C/c1cnn(C)c1 14095850 WVGVSDIGSNPDHT-ZZXKWVIFSA-N 320.190 3.143 0 40 DGAB CCCN1CCC(NC(=O)C2(c3ccccc3)CCC2)CC1 65591116 BVARRAMBZQNFDA-UHFFFAOYSA-N 300.446 3.099 0 40 DGAB C/C=C/c1ccc(OCC(=O)OCc2cc(C)on2)c(OC)c1 5318503 BWGVBKPIDPJRED-SNAWJCMRSA-N 317.341 3.147 0 40 DGAB COc1cccc(C(=O)OCc2cc(OC)c(OC)cc2C)c1 5470884 DNOZSEJOUYUQLG-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB CC[C@H](NC(=O)N(C1CC1)[C@@H](C)c1ccco1)c1noc(C)n1 95409977 NIUDBYCXYJQUBD-GWCFXTLKSA-N 318.377 3.357 0 40 DGAB C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)C1CC1 9218900 FGWLEHOBHHELFJ-LLVKDONJSA-N 302.399 3.250 0 40 DGAB COc1cc(CN2C[C@H]3CC=CC[C@H]3C2)cc(OC)c1OC 93590723 KAXIULCRKAVSNB-GASCZTMLSA-N 303.402 3.110 0 40 DGAB COc1ccc(-c2noc(-c3cc(-c4ccco4)[nH]n3)n2)cc1 7424902 KYAFHJSBKACZNF-UHFFFAOYSA-N 308.297 3.395 0 40 DGAB Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@@H]1CCCO1 69033917 IOUANVISXYFYAN-HNNXBMFYSA-N 306.406 3.425 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1ccc(OC2CCC2)c(F)c1 96450863 TUTXUBBGJKKZHI-UHFFFAOYSA-N 317.364 3.360 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)c3cnc(C4CC4)s3)C2)c1 69418649 GGOBSIJNSLYWLA-ZDUSSCGKSA-N 316.430 3.003 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)N2CCC[C@H](O)C2)cc1 71803465 IRIWHQUSQVQMRH-OCCSQVGLSA-N 308.447 3.026 0 40 DGAB CN1CCC(N(C)c2ccccc2CNCc2ccco2)CC1 83877545 APKLRCQGCJGFCD-UHFFFAOYSA-N 313.445 3.100 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@@H]2C(C)C)c1 71910093 RSIJQLJTRXKWCY-MRXNPFEDSA-N 306.381 3.435 0 40 DGAB CO[C@H](C(=O)N[C@@H](c1nccs1)C1CC1)c1ccccc1 97059461 AFMNHDFOCNOIJJ-KGLIPLIRSA-N 302.399 3.098 0 40 DGAB O=c1[nH]c2ccccc2nc1CN1CCC[C@@H]1c1cccs1 97139473 INLNDRBFKOYQCK-OAHLLOKOSA-N 311.410 3.322 0 40 DGAB COC(=O)[C@H](Nc1ccc(N2CCSCC2)cc1C)C(C)C 95957691 ULDJKDLVKOEOPX-MRXNPFEDSA-N 322.474 3.158 0 40 DGAB O=C(Nc1ccccc1F)N1C[C@H](O)C[C@@H]1C1CCCCC1 75613017 QCQMHSUAXNTFPW-CZUORRHYSA-N 306.381 3.373 0 40 DGAB CSc1ccccc1C(=O)NCCOc1ccc(F)cc1 29299555 PIKNETIWODQKOA-UHFFFAOYSA-N 305.374 3.356 0 40 DGAB CSc1nc2nc(C(C)C)c(-c3cccs3)c(N)n2n1 20638432 RTNZYSCTANKEOW-UHFFFAOYSA-N 305.432 3.280 0 40 DGAB CCOC(=O)c1ccc(NC(=O)CNc2ccc(C)cc2)cc1 125375547 JXIGCLFTWXTHFQ-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB Cc1cc(NCCC2CCCC2)n2nc(C(F)(F)F)nc2n1 515083376 FQMHGXGLOCVGEH-UHFFFAOYSA-N 313.327 3.444 0 40 DGAB COc1ncccc1CN1CCC(Oc2cccc(F)c2)CC1 528571613 MADBQBKXEIBSKU-UHFFFAOYSA-N 316.376 3.273 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cl)cc1)S(=O)(=O)C1CCCC1 76585312 TYCXUTGXBYEJHL-SNVBAGLBSA-N 315.822 3.024 0 40 DGAB Cc1ccc(C2(C(=O)N[C@@H](C)c3ccncc3)CCOCC2)cc1 72265178 LVFMIQVREUPJTR-INIZCTEOSA-N 324.424 3.316 0 40 DGAB COc1ccc([C@@H](NC(=O)C(F)F)c2ccccc2OC)cc1 225627209 LCPLWFSFXDPJKU-OAHLLOKOSA-N 321.323 3.175 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NCC(C)C 224206048 SRLXDDOMUXBSHB-MRXNPFEDSA-N 318.461 3.284 0 40 DGAB O=C(Nc1c2c(nn1-c1ccccc1)CCC2)c1cscn1 63474329 BTJAFYZKECQKOJ-UHFFFAOYSA-N 310.382 3.070 0 40 DGAB CC(C)Oc1ccc(N(C)S(=O)(=O)c2ccccc2)cc1 194159350 QOIRKNFRGQPVTE-UHFFFAOYSA-N 305.399 3.299 0 40 DGAB CCN(C(=O)N1CCC(OC)CC1)[C@@H](C)c1ccc(F)cc1 195577544 AKOFZNRNHLUHBG-ZDUSSCGKSA-N 308.397 3.439 0 40 DGAB CC(C)(C)CNC(=S)Nc1ccc(Br)cn1 225224426 MYTIUEKZBJQQMF-UHFFFAOYSA-N 302.241 3.177 0 40 DGAB CC(C)COc1ncccc1C(=O)N1CCC(F)(F)C[C@@H]1C 530012457 IQVGXEJEGBTJOH-LBPRGKRZSA-N 312.360 3.376 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)NC1CCC(C(=O)O)CC1 49148271 NPVHZRUNNOYIKS-UHFFFAOYSA-N 314.744 3.244 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 222898960 CYKQWQQVRDUPBO-LSDHHAIUSA-N 300.431 3.101 0 40 DGAB NC(=O)c1cccc(NC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1 577184765 XXPROXJOSZZBIU-IRXDYDNUSA-N 308.381 3.308 0 40 DGAB Cc1nc2c(c(C(F)(F)F)n1)C[C@H](c1nc(C3CC3)no1)CC2 96466576 RLCNENMSVXKFQY-SECBINFHSA-N 324.306 3.337 0 40 DGAB CC[C@H](COC)NC(=O)Nc1ccc(N2CC[C@H](C)C2)cc1 96415934 ZHNBWYKJKFFDRY-UONOGXRCSA-N 305.422 3.079 0 40 DGAB CC1(C)C(=O)CC[C@]2(C)[C@H]3C[C@H]4CC[C@]3(CC[C@@H]12)C[C@]4(O)CO 1077996505 GFMRAAZMCOCUCY-NBUFYSGYSA-N 320.473 3.322 0 40 DGAB biogenic Cc1cccn2c(CN[C@@H](C)C[C@H](O)c3ccccc3)cnc12 95448813 NXWDYXDPSSRCGI-YJBOKZPZSA-N 309.413 3.245 0 40 DGAB Cc1cnc(C(=O)N2CCC3(CCCc4ccccc43)CC2)cn1 96161257 SDUVGGYHRJFGTM-UHFFFAOYSA-N 321.424 3.295 0 40 DGAB CCc1ccc2occ(C(=O)N(CC3CC(O)C3)C3CC3)c2c1 585087064 OZUOTVLFDJVRGU-UHFFFAOYSA-N 313.397 3.371 0 40 DGAB Cc1nc(Nc2nccs2)cc([C@@H]2CCN(CC(C)C)C2)n1 257278600 OCWLKCUHWPYTCZ-CYBMUJFWSA-N 317.462 3.430 0 40 DGAB Cc1nccc([C@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 257237059 HEYMOAGWKDEJNG-ZDUSSCGKSA-N 301.415 3.175 0 40 DGAB CC(=O)N1CCC[C@H](c2cccc(-c3cccc(C(=O)O)c3)n2)C1 257229879 FZVRULQDCNJKHP-INIZCTEOSA-N 324.380 3.173 0 40 DGAB O=C(NC[C@](O)(c1ccsc1)c1cccs1)c1ccoc1 253399396 JAWVNQXGKUXDEQ-HNNXBMFYSA-N 319.407 3.069 0 40 DGAB COCCN(Cc1ccoc1)C(=O)c1c(F)cccc1Cl 85474279 UPNPTZISPPFEQC-UHFFFAOYSA-N 311.740 3.361 0 40 DGAB CCc1ccc(NC(=O)NC2CCC(C(=O)O)CC2)cc1F 262991856 DPGZKVNNBVSETR-UHFFFAOYSA-N 308.353 3.153 0 40 DGAB CC(C)c1cc(NC(=O)N[C@H]2CCN(c3ccccc3)C2)no1 266347934 CZRGYMJAVGOTET-ZDUSSCGKSA-N 314.389 3.198 0 40 DGAB C[C@H](CC(=O)c1ccco1)NC(=O)c1cc(Cl)cc(F)c1N 390833152 CVXKSXLNKFRKAB-MRVPVSSYSA-N 324.739 3.046 0 40 DGAB Cc1ncnc(N2CCN(c3cccc(Cl)c3)CC2)c1C 1161974349 CHILBWUKEZBGIH-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)N3CCCCCCC3)ccc21 43827257 SEDCXDXSIGZIHT-UHFFFAOYSA-N 315.417 3.394 0 40 DGAB NC(=O)[C]1CCCC[C@@H]1C(=O)Nc1ccc(Cl)c(Cl)c1 1560403800 HVZGDQYARJUWBS-JTQLQIEISA-N 314.192 3.182 0 40 DGAB O=C(NCCCc1ccccc1)C(=O)Nc1cccc(Cl)c1 5183979 UISPGFMCTWLXFE-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB CCOc1ccccc1NC(=O)COc1ccc(OC)cc1 5467195 IDBGBGIHJBNJTG-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB CN(C)c1ncc(CNC2(c3ccccc3F)CCCC2)cn1 12328656 UAUNRSJRDJWQGS-UHFFFAOYSA-N 314.408 3.241 0 40 DGAB Nc1ccc(N2CCN(c3ccc(F)cc3)CC2)c(Cl)c1 19231452 GIBASPZPVIGLJX-UHFFFAOYSA-N 305.784 3.388 0 40 DGAB Cc1ncc(Cl)c(C(=O)N2CCC[C@@H](c3ccccc3)C2)n1 554154342 VAODWIUMISUXJA-CQSZACIVSA-N 315.804 3.458 0 40 DGAB CC(C)CSc1nnc(S[C@H]2CCCCNC2=O)s1 9756889 IXBUALRGXBLLJU-VIFPVBQESA-N 317.505 3.047 0 40 DGAB CCc1ccccc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888906238 PYMNCUYNJLTXKF-UHFFFAOYSA-N 306.369 3.421 0 40 DGAB CCOc1ncccc1C(=O)Nc1cc(OC)c(OC)cc1C 14713034 OZQBHVBKZBBBRF-UHFFFAOYSA-N 316.357 3.058 0 40 DGAB CSc1ccc(/C=C(\Sc2nnc(C)[nH]2)C(=O)O)cc1 5072386 VPVLYMDRJUFCCS-XFFZJAGNSA-N 307.400 3.053 0 40 DGAB Cc1cc(C)n(-c2ccccc2CNC(=O)C2[C@H]3CCC[C@H]23)n1 102680708 HKPWJGQZNDUFKT-HOTGVXAUSA-N 309.413 3.151 0 40 DGAB O=C(Nc1ccccc1)C1CCN(C(=O)C[C@H]2C=CCC2)CC1 10446310 ZEGNGALLJFHQHJ-HNNXBMFYSA-N 312.413 3.220 0 40 DGAB CN1CCN(C(=O)c2ccc3c(c2)CCC3)[C@H](c2ccccc2)C1 30029712 DIBRSFQYCUMOEX-FQEVSTJZSA-N 320.436 3.304 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCc3ccccc32)[nH]c2c1C(=O)CCC2 40476152 RNAVRPWWCPZMBU-CQSZACIVSA-N 308.381 3.259 0 40 DGAB Cc1nc(-c2ccccc2Cl)sc1C(=O)N1CCOCC1 31864368 FTRRQFUSYFJILP-UHFFFAOYSA-N 322.817 3.244 0 40 DGAB Cc1cc(S(=O)(=O)N2CCc3ccccc32)ccc1Cl 41091864 JPYCBUYWXRIBBX-UHFFFAOYSA-N 307.802 3.400 0 40 DGAB COC(=O)c1ccc(OC(=O)c2cccc(C)c2)c(OC)c1 365538 FSFNYLAFULGZGC-UHFFFAOYSA-N 300.310 3.009 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(F)cc1F)[C@@H]1C[C@H]2CC[C@H]1C2 102328174 JYRNXDJHWBLHAC-ZPFDUUQYSA-N 315.385 3.068 0 40 DGAB O=C(c1cc(Cl)sc1Cl)N1CCO[C@@H]2CCC[C@H]21 53376144 ZCCIASCKDAVAEB-RKDXNWHRSA-N 306.214 3.448 0 40 DGAB COCCCC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 53547561 BNGOUGOIIUCWGA-UHFFFAOYSA-N 313.401 3.252 0 40 DGAB O=C(NCCCNC1CCCCC1)c1nc2ccccc2s1 22500802 YAJRLZZDSZYVKB-UHFFFAOYSA-N 317.458 3.339 0 40 DGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1cccc(C)c1C 582054 SBJCDZBOHVXFAX-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CN(Cc1cccc(C(N)=O)c1)Cc1ccccc1N1CCCC1 47466493 JXUQNWJYYUCCOA-UHFFFAOYSA-N 323.440 3.018 0 40 DGAB CC(=O)Oc1ccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1 4714073 HOPMDEXIBPKAJI-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB CC1(C)[C@@H](C(=O)O)CC[C@]1(C)C(=O)NCc1ccc(Cl)cc1 6263483 AYNJJXTYXMESPL-CXAGYDPISA-N 323.820 3.483 0 40 DGAB CN(C)CCCNCc1cccc(OCc2ccc(F)cc2)c1 8373889 BDJHYXIDPVDSIS-UHFFFAOYSA-N 316.420 3.446 0 40 DGAB COc1cc2ncnc(NCCc3ccccc3)c2cc1OC 1386822 BSGKGRHMBXYEQS-UHFFFAOYSA-N 309.369 3.302 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3OC)C2=O)cc1 101275779 UMGGSJGBJXLEPW-INIZCTEOSA-N 324.380 3.002 0 40 DGAB O=C(c1cccc(Cl)c1)n1c(S)nc2ccccc2c1=O 103650455 LNJZHQIOYUSCAH-UHFFFAOYSA-N 316.769 3.027 0 40 DGAB CCOc1ccc(NC(=O)C(=O)Nc2cccc(Cl)c2)cc1 9910316 MRRWBAVUWNBVJE-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)CC[C@@H]2CCCO2)cc1C 58246182 WUBCJRJHZURHOR-HOTGVXAUSA-N 305.418 3.146 0 40 DGAB O=C(NCc1cc(Br)ccc1OC(F)F)C1CC1 58208728 NXMIPLRUAGVGRW-UHFFFAOYSA-N 320.133 3.077 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3389241 DYKUIXBGECBRRN-LURJTMIESA-N 314.823 3.014 0 40 DGAB CN(C)CCC[C@@]1(O)c2ccccc2C=Cc2ccc(O)cc21 65742943 LVSOPRLYYPOIMB-HXUWFJFHSA-N 309.409 3.454 0 40 DGAB in-vitro CCc1nc(CCNC(=O)c2cc(F)ccc2F)sc1C 60360355 XIOVCCPFUHELED-UHFFFAOYSA-N 310.369 3.265 0 40 DGAB C[C@H](NC(=O)CN1CCCc2c(F)cc(F)cc21)c1ccco1 29920387 JOSARFMHGKAQMR-NSHDSACASA-N 320.339 3.188 0 40 DGAB CCCc1cc(C(=O)O[C@@H](C)C(=O)NC(C)(C)C)sc1C 12045679 DWHLLFSGIJNYMC-JTQLQIEISA-N 311.447 3.469 0 40 DGAB CCn1cc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)c(C)n1 2741211 OKCKJFFGTYVJPV-UHFFFAOYSA-N 305.332 3.406 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)N[C@@H](C)c2ccccc2)o1 3407848 QEYVOGJGEQLXFA-VNDWYCCKSA-N 313.353 3.022 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1nnc(C2CC2)s1 3552790 MQPAYHCNJMHJEZ-CMDGGOBGSA-N 301.371 3.076 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1Cl 12974941 DQZIRIWNUQYTLC-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COc1ccc(NC(=O)N[C@H]2CCO[C@@H](CC(C)C)C2)c(C)n1 95464616 SZYQPMZYOFUASH-KBPBESRZSA-N 321.421 3.114 0 40 DGAB c1ccc(N2CCN(C3=Nc4ccccc4CS3)CC2)nc1 4090145 BJFWLHONJOCAKR-UHFFFAOYSA-N 310.426 3.138 0 40 DGAB Cc1csc([C@H]2CN(Cc3ncc(C(C)(C)C)o3)CCO2)n1 65466775 NLMSQEZFYGXVQQ-GFCCVEGCSA-N 321.446 3.311 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccnn1Cc1ccccc1 5256383 RNMKVQPUSVAXBA-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB CCCN(CCC)C(=O)CCCC(=O)Nc1ncccc1C 65554671 WSJKWBMSMSXDCF-UHFFFAOYSA-N 305.422 3.147 0 40 DGAB O=C1C(=O)N(CN2CCC[C@H]2c2ccccc2)c2ccccc21 14112651 JNOQVXGDSMHTMD-INIZCTEOSA-N 306.365 3.011 0 40 DGAB CCn1c(C)cc(C(=O)Nc2ccc3oc(=O)ccc3c2)c1C 65608387 RIPONCKTGFFSOY-UHFFFAOYSA-N 310.353 3.484 0 40 DGAB CN(C)c1nc2sc(C(=O)OCc3ccccn3)cc2s1 62278712 FATVLXUCXYQOTO-UHFFFAOYSA-N 319.411 3.176 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(Cl)cc2F)c1C 6583606 XGPXTBYJQOKZPI-UHFFFAOYSA-N 324.739 3.463 0 40 DGAB COc1ccc(OC)c(NC(=O)CC2(CC(=O)O)CCCC2)c1 4949116 WTMFAWFZALOHRV-UHFFFAOYSA-N 321.373 3.068 0 40 DGAB CCOc1ccc(-c2nc(CN[C@H](C)COC)cs2)cc1 7004735 JNHXBIFZNYTFSM-GFCCVEGCSA-N 306.431 3.333 0 40 DGAB CN1CCC(NC(=S)N2CCC[C@@H]2CC2CCCCC2)CC1 83877609 XYMAPTFCUNBGNI-QGZVFWFLSA-N 323.550 3.390 0 40 DGAB COCc1ccc(C(=O)NCCc2c[nH]c3ccccc23)cc1 8037663 LMOGYMWCZIXIGH-UHFFFAOYSA-N 308.381 3.287 0 40 DGAB COC(=O)[C@H](C)Sc1nnc(Nc2cccc(C)c2)s1 8091125 JIPXFKPSJRJAFL-VIFPVBQESA-N 309.416 3.244 0 40 DGAB CC(=O)c1c[nH]c(C(=O)NCC23CC4CC(CC(C4)C2)C3)c1 17062652 RSLKYTMRUVWSOR-UHFFFAOYSA-N 300.402 3.164 0 40 DGAB COc1cccc(F)c1[C@H](C)NCc1csc(NC(C)=O)n1 97033548 QELANHFXVJGGKM-VIFPVBQESA-N 323.393 3.100 0 40 DGAB OC[C@@H](CN[C@H]1CCCc2cc(F)ccc21)Cc1ccccn1 97033383 MOTLNXHLNAOIFQ-KUHUBIRLSA-N 314.404 3.039 0 40 DGAB Cc1ccc(OCC(=O)Nc2nonc2-c2ccc(C)cc2)cc1 8869600 WMALRAOKQJQFBB-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CCOCC(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 72284334 RGIPLIBOHBPSTP-SNVBAGLBSA-N 322.405 3.471 0 40 DGAB O=C(NCC1CC1)Nc1ccc2nc(-c3ccccn3)oc2c1 95992695 ADXQVTSNHDODAU-UHFFFAOYSA-N 308.341 3.421 0 40 DGAB Cc1cccc(CN(C(=O)C2CCC(CN)CC2)C2CC2)c1 95963336 PKEURFULBMKNKR-UHFFFAOYSA-N 300.446 3.251 0 40 DGAB COc1ccc(Cl)cc1CNc1ccc(C(N)=O)c(C)c1 75094697 WJHFTMQECWPJLV-UHFFFAOYSA-N 304.777 3.368 0 40 DGAB CSc1ccc(S(=O)(=O)N(C)Cc2cccs2)cc1 64572597 SFMMZUIDPOSCFY-UHFFFAOYSA-N 313.469 3.291 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)Nc1cc(F)ccc1C 408707222 LMFJPLDANKRUQY-ZDUSSCGKSA-N 308.397 3.405 0 40 DGAB O=C(COc1ccc(Cl)c(Cl)c1)NCC[C@@H]1CCCO1 29787396 BTFBNKRKVBOIGJ-JTQLQIEISA-N 318.200 3.058 0 40 DGAB CCCCNC(=O)Cc1csc(COc2ccccc2)n1 33326124 NHLIHIVIPZAKAI-UHFFFAOYSA-N 304.415 3.181 0 40 DGAB Cc1cc(CC(=O)N2CCC(CCc3ccccc3)CC2)n[nH]1 152398090 ZBTYBEZNJABMND-UHFFFAOYSA-N 311.429 3.132 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)Nc3ccc(F)cc3)CC2=O)c1 34916278 YJUKGGWEUQJVFI-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB Cc1cc(C)c(NC(=O)c2cncc(Br)c2)c(N)c1 70462816 NZRGNYIOQNQDBQ-UHFFFAOYSA-N 320.190 3.295 0 40 DGAB Cn1nc(-c2cccs2)cc1C(=O)NCCc1ccccc1 35293600 PMGNBMGXNHUPHQ-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB Cc1ccc(-c2nsc(C(=O)NC3CCCC3)c2N)cc1 62007058 OCLLWUMORWVSQA-UHFFFAOYSA-N 301.415 3.373 0 40 DGAB CC(=O)c1c(F)cccc1NCc1cccc(Cn2cncn2)c1 78393947 LSUQXUCINSIPFB-UHFFFAOYSA-N 324.359 3.280 0 40 DGAB Cc1ccc(C[C@H](NC(=O)c2ccncc2)c2ccccn2)cc1 79360523 JUHVXYINDXOFJD-IBGZPJMESA-N 317.392 3.499 0 40 DGAB O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccc(F)cc1 36635759 UDWIVSTWKGJPGU-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CC(C)n1nccc1[C@H]1OCC[C@@H]1NC(=O)CC(C)(C)C1CC1 560546253 XARPIYOGEKZWSE-YOEHRIQHSA-N 319.449 3.237 0 40 DGAB CSc1ccccc1NC(=O)c1ccc(N2CCCC2)nn1 75172566 UEHHBCPEXSWMQM-UHFFFAOYSA-N 314.414 3.051 0 40 DGAB CCc1nc([C@H](C)NC(=O)N[C@H](C)Cc2ccco2)cs1 78924872 GNSVKKRIYLHVNR-MNOVXSKESA-N 307.419 3.290 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)c1cccs1 46374508 JFUDVYUAFGZFCF-UHFFFAOYSA-N 300.427 3.274 0 40 DGAB COc1cc(Cl)nc(NC(=S)N[C@@H](C)c2ccccc2)n1 225963795 OSUJIAWQDNGKJN-VIFPVBQESA-N 322.821 3.186 0 40 DGAB Cc1nccn1-c1ccc(CNC(=S)Nc2cccnc2)cc1 225459084 YXUFWLYKLJXWEI-UHFFFAOYSA-N 323.425 3.062 0 40 DGAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc(-c3ccccc3)cc2)C1 45954022 OPWJSSBNFYEODY-MRXNPFEDSA-N 309.365 3.270 0 40 DGAB COc1cccc(C2=CCN(c3ncnc4onc(C)c34)CC2)c1 225694526 VISBSHZRSXJOBD-UHFFFAOYSA-N 322.368 3.229 0 40 DGAB CCn1cc(NC(=O)NC[C@@H](C)Sc2ccccc2)cn1 96431332 IYEGXXOXCROHSR-GFCCVEGCSA-N 304.419 3.205 0 40 DGAB Cc1ccc(CNc2ccc(N3CCC(CO)CC3)cn2)s1 96482416 ARZNWPQNIJTLQM-UHFFFAOYSA-N 317.458 3.272 0 40 DGAB CCc1oc(C(=O)Nc2ccc(C)cc2C(=O)N(C)C)cc1C 95415223 PTJXMUFNIYLCCS-UHFFFAOYSA-N 314.385 3.413 0 40 DGAB CC[C@H](NC(=O)N1CCC[C@@H]1c1cc(C)no1)c1nccs1 331373004 APZORMHNMSTLBB-NWDGAFQWSA-N 320.418 3.437 0 40 DGAB C[C@](Cl)([C@H](O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96520324 BODDZXVFWWOILP-NXEZZACHSA-N 317.621 3.026 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@@H]1C1CCNCC1 91303109 AGAPVQPPVREENV-QGZVFWFLSA-N 302.418 3.177 0 40 DGAB CC[C@H](NC[C@@H](CCO)c1ccccc1)c1ccc(OC)cn1 585085418 MAWWNWGMCAZGKB-AEFFLSMTSA-N 314.429 3.297 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2ccc(F)c(F)c2)O[C@@H]2CCCC[C@@H]12 257250970 JOUMTYUDWFTFFZ-WBQNTZJQSA-N 309.356 3.490 0 40 DGAB Cc1nccc(N2CCC[C@@](C)(C(=O)Nc3ccccc3)C2)n1 257291866 QIZBBHBDHZXUPX-GOSISDBHSA-N 310.401 3.030 0 40 DGAB Cc1cn(C(C)C)nc1NCc1cn(C)nc1C(F)(F)F 256054364 VZVBZAVDGHNBCS-UHFFFAOYSA-N 301.316 3.137 0 40 DGAB O=C(NCC[C@@H](O)c1cc2ccccc2o1)c1ccsc1 96097197 PPDUVAKDJYWNPE-CYBMUJFWSA-N 301.367 3.348 0 40 DGAB CCn1ccc(COc2ccc(C=O)cc2Br)n1 575411021 YWFIWIPTDOMSCP-UHFFFAOYSA-N 309.163 3.057 0 40 DGAB COc1cccc([C@H]2CC(=O)c3c(OC)cccc3O2)c1OC 48057099 HLDKSMAKRMIKKX-MRXNPFEDSA-N 314.337 3.419 0 40 DGAB CCOC(=O)c1cccnc1Oc1ccc(C(C)=O)cc1OC 48353666 HNJKVORLDBSDRI-UHFFFAOYSA-N 315.325 3.262 0 40 DGAB COc1ccc(C2(C(=O)NCC(F)(F)F)CCCC2)cc1 58792834 GIXSKQRLUCHOFK-UHFFFAOYSA-N 301.308 3.186 0 40 DGAB O=C1CCCN1CC(=O)N1CCC[C@@H]1c1cccc2ccccc12 56363001 FNDMYHGEUULQCI-GOSISDBHSA-N 322.408 3.126 0 40 DGAB CC[C@@H](C(=O)NC1C[C@@H]2CCC[C@H](C1)N2C)c1ccccc1 80717753 JROAROUZHHVTNL-HQSKLWIPSA-N 300.446 3.312 0 40 DGAB C[C@H]1CC=CCCCCC(=O)Cc2cc(O)cc(O)c2C(=O)O1 1772592026 WSBASKMWDAUNEI-LBPRGKRZSA-N 318.369 3.275 0 40 DGAB O=C(CSc1nnc2c(n1)CCCC2)c1ccc(F)cc1F 5059964 WDHLXYGTEUEWMK-UHFFFAOYSA-N 321.352 3.004 0 40 DGAB O=c1[nH]c2ccccc2cc1CNc1cc(Cl)ccc1O 13561623 DGVOYAMRFJHOMS-UHFFFAOYSA-N 300.745 3.499 0 40 DGAB COC(=O)c1ccc(NC(=O)CCc2ccc(F)cc2)cc1 18114514 WXGHHSUQPAWKRY-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CCCc1nnc(NC(=O)CSCc2ccccc2)s1 18173501 XQVLHVSRRZNEQH-UHFFFAOYSA-N 307.444 3.363 0 40 DGAB C[C@@H](NC(=O)CCc1cn(C)c2ccccc12)c1ccccn1 19657531 XVLGFRTWCPTVOP-CQSZACIVSA-N 307.397 3.383 0 40 DGAB Cc1ccn2ncc(C(=O)N(C[C@H]3C[C@H]4C=C[C@H]3C4)C(C)C)c2n1 101135170 SONVVHBPAMTLIC-HRCADAONSA-N 324.428 3.101 0 40 DGAB Cc1cnc(N(C)[C@@H]2CCCN(c3nccc4occc34)C2)nc1 1888890378 GOZDECWDCVLPAE-CQSZACIVSA-N 323.400 3.031 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)Cc1ccc2ccccc2c1 24725404 HQACIIQUXHMYFE-QGZVFWFLSA-N 313.397 3.086 0 40 DGAB Cc1ccc(C(=O)c2ccc(CC(=O)NC3CCCC3)n2C)cc1 2087048815 SJNNPZOEKMUOBS-UHFFFAOYSA-N 324.424 3.166 0 40 DGAB CCCc1nnc(NCc2c[nH]nc2-c2ccc(F)cc2)o1 96495368 SPUJQJDCBBJUDO-UHFFFAOYSA-N 301.325 3.163 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2ccccc2N2CCCCCC2)cn1 30993854 RGUANRIBMDNKPG-ZHACJKMWSA-N 324.428 3.452 0 40 DGAB Cc1nnc(NC(=O)CCC(=O)c2ccc(Cl)s2)s1 40489552 NSDZSDZWXLRYFB-UHFFFAOYSA-N 315.807 3.163 0 40 DGAB CCCC(=O)Nc1ccc(OC)c(OCc2ccncc2)c1 32832273 KOSXFKXBRWONAD-UHFFFAOYSA-N 300.358 3.408 0 40 DGAB COC[C@@H](C)NC(=O)c1sc(-c2ccc(F)cc2)nc1C 32841447 IMIILJJMMXZQIS-SECBINFHSA-N 308.378 3.022 0 40 DGAB Cc1cc(CN2CCN(c3cc(C)c4ccccc4n3)CC2)on1 32869677 QOFZSVSECFIHDO-UHFFFAOYSA-N 322.412 3.162 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)CC2CCCC2)CC1 32898920 BDEJEQGIGRVXFJ-UHFFFAOYSA-N 315.413 3.394 0 40 DGAB Cc1noc([C@@H]2CCCN(CCO[C@@H]3CCCC[C@@H]3C)C2)n1 52862953 ZNECNJZIMLKZIN-NUEKZKHPSA-N 307.438 3.153 0 40 DGAB Cc1ccc(C)c(C(=O)c2ccccc2CN2CCN(C)CC2)c1 22028189 FQXLVZSJMRIPNJ-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CCOc1cccc(-c2nn3c(-c4ccccn4)nnc3s2)c1 531143 WDHLBNANNNSPRX-UHFFFAOYSA-N 323.381 3.314 0 40 DGAB Cc1cccc(NC(=O)Cc2c(C)nn(-c3ccccc3)c2C)n1 53281063 QHQRQPCEVYWVLW-UHFFFAOYSA-N 320.396 3.374 0 40 DGAB O=C1CCSc2ccc(C(=O)NC(C3CC3)C3CC3)cc2N1 22885894 GBFIFBVMJMJEQT-UHFFFAOYSA-N 316.426 3.039 0 40 DGAB CC(C)(C)NC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1 327643 INVONAHFBOCTJI-UHFFFAOYSA-N 322.364 3.016 0 40 DGAB CCN(C(=O)Nc1nncs1)[C@@H](C)c1cccc(OC)c1 47320374 UGEBJYRADUOJIC-JTQLQIEISA-N 306.391 3.162 0 40 DGAB CCC(C)(C)NC(=O)[C@@H]1CCCN1C(=O)Nc1cccc(C)c1 1343028 MHLYLINMYQPKRZ-HNNXBMFYSA-N 317.433 3.296 0 40 DGAB Clc1ccccc1C(Nc1ncccn1)Nc1ncccn1 1583572 KSFDBUHAYBQMJP-UHFFFAOYSA-N 312.764 3.143 0 40 DGAB in-vitro Cn1cc(Nc2cccc(C(=O)N(CC3CC3)CC3CC3)c2)cn1 78995708 ZDCSKVRRBYVKHC-UHFFFAOYSA-N 324.428 3.426 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)COc1ccc2c(c1)CCC2 6455200 BLXHPQHXJOYOKB-RKVPGOIHSA-N 303.446 3.178 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213721 SQZMIYJHRNBYLK-FAJBIJEISA-N 309.494 3.311 0 40 DGAB COc1cccc(NC(=O)COC(=O)C[C@@H]2C[C@@H]3CC[C@@H]2C3)c1 101868413 LSMRYOJBUVLCQT-MCIONIFRSA-N 317.385 3.003 0 40 DGAB Cc1ccc(NS(=O)(=O)C[C@]23CC[C@@H](CC2=O)C3(C)C)cc1 100305763 MMFXFLKTJGHJGF-SUMWQHHRSA-N 321.442 3.132 0 40 DGAB C[C@@](O)(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 1382247 APXWRTPHLQXKBP-OAHLLOKOSA-N 310.802 3.021 0 40 DGAB O=C(O[C@H](C(=O)NC1CC1)c1ccccc1)C1CCCCC1 8291710 JDWXDWPZVIERFD-INIZCTEOSA-N 301.386 3.130 0 40 DGAB CCOC(=O)c1ccc(NCc2nc(-c3ccco3)no2)cc1 44071703 MVDVOAHHKPYLLS-UHFFFAOYSA-N 313.313 3.118 0 40 DGAB CN(C)c1nc(N)c(Cc2ccc(Br)cc2)s1 103700458 ZWAKRNRHSZLYDN-UHFFFAOYSA-N 312.236 3.145 0 40 DGAB C[C@@](CO)(NCc1nc(-c2ccsc2)no1)C1CCCCC1 71921061 BJNIXSLMYLCNHP-INIZCTEOSA-N 321.446 3.219 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C)O1 12757290 YGZOCQILAKMQKW-HTQZYQBOSA-N 306.164 3.382 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2C)s1 3384674 ZJNZSGPKQJXBMB-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)NCc1ccc(Cl)cc1 3312904 YBQSCQFXYIQBLY-UHFFFAOYSA-N 323.801 3.183 0 40 DGAB CC[C@H](CNC(=O)c1ccc(CNC(C)=O)cc1)c1ccccc1 28343019 CDDVCEFXDYCSEQ-QGZVFWFLSA-N 324.424 3.246 0 40 DGAB C[C@H](c1ccccc1F)N(C)CC(=O)N1CCc2ccccc21 52073540 YHSYXRCRYTWXDH-CQSZACIVSA-N 312.388 3.408 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cnc3ccccc3c2O)c1 11027315 RCNUJRGIKSFDCU-UHFFFAOYSA-N 324.336 3.210 0 40 DGAB C[C@H](NC(=O)COc1ccccc1C(F)(F)F)c1cccnc1 28893807 SYLCKJIRDUHTQT-NSHDSACASA-N 324.302 3.357 0 40 DGAB O=S(=O)(c1ccccc1Oc1cccnc1)C(F)(F)F 60355765 ZFLBMFARCZJAMB-UHFFFAOYSA-N 303.261 3.167 0 40 DGAB O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1cccc(F)c1 2511974 LIGYJYQYGUIKOE-HNNXBMFYSA-N 317.316 3.268 0 40 DGAB Cc1ccc(NC(=O)COC(=O)Cc2ccsc2)c(Cl)c1 3472711 NVPUEHVUFRAFED-UHFFFAOYSA-N 323.801 3.434 0 40 DGAB CC(C)c1ccc(C(=O)COC(=O)[C@@H](O)c2ccccc2)cc1 3503897 PLWAGUZRQYWOOP-SFHVURJKSA-N 312.365 3.270 0 40 DGAB O=C(CCc1nc2ccccc2s1)Nn1cnc2ccccc21 8775281 XOIAHPNKCFJYSP-UHFFFAOYSA-N 322.393 3.349 0 40 DGAB O=C(NCc1ccc(F)cc1)c1ccc(NC(=O)C2CC2)cc1 12906108 GZNKBHGJGMXUHC-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB O=S(=O)(N[C@H]1CCCc2occc21)c1ccc(Cl)cc1 12944005 PQNSWKJLTBNZLV-ZDUSSCGKSA-N 311.790 3.289 0 40 DGAB Cc1c2c(cc3c4c(c(=O)oc13)CCC4)[C@@H](O)CC(C)(C)O2 8879689 OUPCWVFBGFLVPT-AWEZNQCLSA-N 300.354 3.185 0 40 DGAB biogenic O=C(O)C[C@H](NC(=O)c1ccccc1Cl)c1cccs1 13388730 GXNULCSMEKCFGM-NSHDSACASA-N 309.774 3.347 0 40 DGAB CC(=O)c1ccc(NC(=S)NN2[C@H](C)CCC[C@H]2C)cc1 13684475 DDGISPGPIZFLAY-VXGBXAGGSA-N 305.447 3.354 0 40 DGAB Fc1ccc(/C=C/CN2CCC(OC3CCOCC3)CC2)cc1 93140827 DQNBHUUCCLUHFU-OWOJBTEDSA-N 319.420 3.499 0 40 DGAB COc1cc(Nc2ncccc2C(=O)O)c(OC)cc1Cl 21053807 PVBUVXTWNKAHTI-UHFFFAOYSA-N 308.721 3.194 0 40 DGAB COc1cccc2sc(NC(=O)c3c(C)noc3C)nc12 14021092 YRCXXMDKDVSNJI-UHFFFAOYSA-N 303.343 3.162 0 40 DGAB Cc1cc(C)cc(NC(=O)c2cccc(CS(C)(=O)=O)c2)c1 5404512 FUWWAKIKQUBMGP-UHFFFAOYSA-N 317.410 3.100 0 40 DGAB CCc1cc2c(-c3ccccc3)cc(=O)oc2cc1OCC(=O)O 5554507 ZPTZECOHANRPCV-UHFFFAOYSA-N 324.332 3.486 0 40 DGAB Cc1cccc(CN2CCC[C@@H](C(=O)N3CCCCC3)C2)c1 4746269 FSRBVJHOSUMFQA-GOSISDBHSA-N 300.446 3.220 0 40 DGAB O=C(NCc1ccc(Cl)cc1)C1C[C@@H]2CCC[C@H](C1)C2=O 15634573 VKFLZDSAKCHWRR-PBWFPOADSA-N 305.805 3.352 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 16074821 AKGPYHXWYUAVIS-MAUKXSAKSA-N 323.481 3.059 0 40 DGAB C[C@@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1cccs1 90955320 SFZKGXDZSSASOM-OCCSQVGLSA-N 304.415 3.162 0 40 DGAB Cc1nc(C)n(C[C@@H]2CCCN(CCCc3ccccc3)C2)n1 69951579 YQGBPMSLKCPOGI-LJQANCHMSA-N 312.461 3.240 0 40 DGAB CCC(=O)N1CCN(c2ccc3c(Cl)ccnc3c2F)CC1 95394811 VTKQAEZFNCUELP-UHFFFAOYSA-N 321.783 3.086 0 40 DGAB O=[S@](Cc1cn2cc(Cl)cc(Cl)c2n1)CC1CC1 97083682 BXKJEOBKJZIKQB-GOSISDBHSA-N 303.214 3.300 0 40 DGAB CCO[C@@H](C)c1nc(CN2C(=O)c3ccccc3C2=O)cs1 72292670 KNSKZJWHTOKYDA-JTQLQIEISA-N 316.382 3.037 0 40 DGAB FC(F)(F)c1cnc(I)cc1Cl 95761991 GMMOMTQLJSGSNI-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB in-vitro COc1ccc([C@@H](O)[C@@H](C)Nc2ncnc3cccc(C)c23)cc1 95975972 ROKYXDOQJNMMHS-ACJLOTCBSA-N 323.396 3.481 0 40 DGAB O=C1CCc2cc(C(=O)Nc3ccc(F)c(F)c3)ccc2N1 9952769 USKZHYVWQBQATQ-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB Cc1nc(CC(=O)N2CCCc3c(F)ccc(F)c32)cs1 89709071 GZTKJGBYCNIOAT-UHFFFAOYSA-N 308.353 3.252 0 40 DGAB CC(C)[C@@H]1CN(c2ncnc3c2cnn3C(C)(C)C)CCS1 89802144 AYIPFKNGMZBHPY-ZDUSSCGKSA-N 319.478 3.159 0 40 DGAB CCc1cc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)on1 76021083 ZBKFPZXIKITBGY-OAHLLOKOSA-N 319.792 3.377 0 40 DGAB Cc1ccc(-c2nc3cc(C)ccn3c2CN2CCNCC2)cc1 22465179 DADQFHORMDFLTE-UHFFFAOYSA-N 320.440 3.023 0 40 DGAB Cc1c(C(=O)Nc2ccc3[nH]ccc3c2)sc2nc[nH]c(=O)c12 61721985 XXWFNYVLBRZNSA-UHFFFAOYSA-N 324.365 3.027 0 40 DGAB Cc1nnc(N[C@@H]2C[C@H]2c2ccc(Br)cc2)nc1C 514772864 PFIUSLZIILHQLA-QWHCGFSZSA-N 319.206 3.219 0 40 DGAB CCOC(=O)COc1ccccc1/C=C1\C(=O)Nc2ccccc21 409121240 TZUGEWSJVFWELN-PTNGSMBKSA-N 323.348 3.121 0 40 DGAB CC(=O)O[C@@H](C)CCc1ccc(CC[C@H](C)OC(C)=O)cc1 3844812 KLOYZTASLWUIKP-KBPBESRZSA-N 306.402 3.455 0 40 DGAB biogenic CCc1nocc1C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 1527492178 ZABGXNZYUUICBZ-UHFFFAOYSA-N 310.357 3.292 0 40 DGAB O=C(O)c1ccc(C2CCN(C(=O)NC3CCCC3)CC2)cc1 32918979 BDWKCYFVGDLGJY-UHFFFAOYSA-N 316.401 3.216 0 40 DGAB Cc1nc(N2CCOCC2)ccc1[C@H]1CCCCN1C(C)C 72219646 PVLUUXAKEMHSFX-QGZVFWFLSA-N 303.450 3.162 0 40 DGAB c1cnc2[nH]c(C3CCOCC3)c(CN3CCSCC3)c2c1 72394992 YMEFTQYXQYVEHB-UHFFFAOYSA-N 317.458 3.006 0 40 DGAB COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1Cl 74946885 ANKGGGMNOIRPDX-UHFFFAOYSA-N 305.717 3.330 0 40 DGAB CCc1ncc(CN(C)c2cc(-c3nc(C)no3)ccn2)s1 77219251 XSNQAKMZTXWMHH-UHFFFAOYSA-N 315.402 3.095 0 40 DGAB COc1ccc(CCC(=O)NCc2ccccc2OC)cc1C 225316764 ZAFOLXZVQPMJPK-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB Cc1cc(C)c2c(N)c(-c3nnnn3-c3ccccc3)sc2n1 41166389 UPSWVGFXCAMPLC-UHFFFAOYSA-N 322.397 3.138 0 40 DGAB Cn1c(SCC(=O)NC2CCCC2)nc2cc(Cl)ccc21 48342807 RKSFTUJYFDKBJP-UHFFFAOYSA-N 323.849 3.378 0 40 DGAB O=C(c1cccnc1)N1CCC[C@@H](c2cc(F)ccc2F)C1 191204869 BYIQAVRKPGQARN-CYBMUJFWSA-N 302.324 3.380 0 40 DGAB CN(C)c1ncc(NC(=O)Nc2ccc3ccccc3c2)cn1 224260934 WAXIWRSEJWVZFY-UHFFFAOYSA-N 307.357 3.340 0 40 DGAB O=C(COc1ccsc1)N1CCC(F)(c2ccccn2)CC1 573498559 IVWDUFMQLIYELJ-UHFFFAOYSA-N 320.389 3.009 0 40 DGAB CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)Nc1ccccn1 227159698 QSBQNAPJRSLMOQ-UHFFFAOYSA-N 322.368 3.063 0 40 DGAB S=C(NCCCOC1CCCC1)Nc1ccc2c(c1)OCO2 225619311 DRXAVPZAPRZYBU-UHFFFAOYSA-N 322.430 3.051 0 40 DGAB CCNc1ccc(Cl)cc1C(=O)N1CCC(C)(CO)CC1 191359595 ONEXVPPAQDCGOV-UHFFFAOYSA-N 310.825 3.006 0 40 DGAB Cc1ccc(N2CCN([C@H](C(=O)O)c3cccc(C)c3)CC2)cc1 91690151 HGEVNCCXUGKFIH-IBGZPJMESA-N 324.424 3.251 0 40 DGAB CO[C@H](CNC(=O)CSC1CCCC1)c1ccccc1C 96104946 NNVJRJQUMZRVFX-MRXNPFEDSA-N 307.459 3.475 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)Cc2noc(C3CC3)n2)C12CCCC2 96419741 QNDFOCDUQMGECJ-ZIAGYGMSSA-N 305.422 3.117 0 40 DGAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2ccncc2)c1 96407252 SUMRGKKJPLJWHH-JOCHJYFZSA-N 316.426 3.381 0 40 DGAB CC(C)N(CCO)C(=O)Nc1cccc(N2CCCCCC2)c1 97375002 VKYHMLRQDOIOIA-UHFFFAOYSA-N 319.449 3.302 0 40 DGAB COCc1cc(N(C)Cc2nc(C)cs2)nc(C(C)(C)C)n1 95433651 ZYFCRNDJKSPNGU-UHFFFAOYSA-N 320.462 3.322 0 40 DGAB COC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CCCCC2)c1 96455531 BUJJSTQBZSZVJN-GFCCVEGCSA-N 304.390 3.179 0 40 DGAB CCOC(=O)[C@@H](CN)[C@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 242581716 OCKDPBVSIVVMTJ-VVWQDTPRSA-N 324.509 3.051 0 40 DGAB Cc1cc2cc(C(=O)N3CC[C@H](c4[nH]ncc4C)C3)ccc2o1 257224082 FAFLDXOVCSCVSP-AWEZNQCLSA-N 309.369 3.402 0 40 DGAB CC(C)(C)c1ncc(CN2CC(O)(c3ccccc3)C2)s1 585085043 OLFIIEGEZHVIOI-UHFFFAOYSA-N 302.443 3.144 0 40 DGAB COCCOc1ccc(Cl)cc1-c1noc([C@H]2CCCO2)n1 273784325 GXWYMRXEYZNYSM-CYBMUJFWSA-N 324.764 3.267 0 40 DGAB COc1ccc(NC(=O)C(C)(C)Br)cc1Cl 71662934 SOFOTPJHIFXUGV-UHFFFAOYSA-N 306.587 3.461 0 40 DGAB Cc1cc(NCc2cc(C)nc3c2CCCC3)cc(C(N)=O)c1 894731769 VXCZBVOUTTYBHA-UHFFFAOYSA-N 309.413 3.288 0 40 DGAB Cc1noc(CN2CCC[C@@H]2c2cccc(Br)c2)n1 48581466 PJJDTHCZOXKKOO-CYBMUJFWSA-N 322.206 3.478 0 40 DGAB O=C(NCc1ccc(Cn2cnc3ccccc32)cc1)NC1CC1 57774649 VCWBANDYYLPQFT-UHFFFAOYSA-N 320.396 3.046 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N(C)[C@H](C)C3CC3)cc2)n1 61159193 MFRPLKXDNILYPF-OAHLLOKOSA-N 311.429 3.419 0 40 DGAB C[C@H]1CN(C(=O)CNc2ccccc2-c2ccccc2)CCO1 56395163 SKGGXLXXPKNRNT-HNNXBMFYSA-N 310.397 3.013 0 40 DGAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)c1oc(C)nc1C 88201180 UESZOSYMSYKCME-OAHLLOKOSA-N 313.401 3.162 0 40 DGAB c1ccc2c(c1)CN(c1nc(C3CC3)ns1)C[C@H]2n1cccn1 97012370 SQWPUMQQAJWBIW-OAHLLOKOSA-N 323.425 3.222 0 40 DGAB Cc1ccsc1[C@@H]1C[C@@H]1C(=O)N[C@H](C(=O)O)c1ccccc1 97231340 RDJYOJKWORSUMG-RDBSUJKOSA-N 315.394 3.102 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)Nc1cccc(Cl)c1C 5251346 GADQLLFIGCPSGZ-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB CC(C)(C)c1cc(=O)n2nc(SCc3ccccc3)nc2[nH]1 14164093 WSAAULZOKQKSTJ-UHFFFAOYSA-N 314.414 3.007 0 40 DGAB CN1CCc2nc(NC(=O)c3cccc(Cl)c3)sc2C1 16916249 ZXXFLFHDYKYQEF-UHFFFAOYSA-N 307.806 3.037 0 40 DGAB CN(C)[C@@H](CCC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 521394352 GRTPCGRBEIURRX-SJORKVTESA-N 318.461 3.143 0 40 DGAB COc1cc(S(=O)(=O)NCCC2=CCCCC2)ccc1F 7616215 YNGLZQCPZOYKGA-UHFFFAOYSA-N 313.394 3.003 0 40 DGAB CCCN1C(=O)C(C)(C)COc2cc(NC(=O)C3CC3)ccc21 8958892 UNKGDQLERNRCCI-UHFFFAOYSA-N 316.401 3.197 0 40 DGAB CC[C@H](CNC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 18152675 JNMGKIPKGIDESW-CQSZACIVSA-N 311.381 3.397 0 40 DGAB O=C(Cc1cccnc1)N1CCS[C@H](c2cccs2)CC1 219516783 UCVZRWYVXHQRJO-HNNXBMFYSA-N 318.467 3.392 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1COc2cc(Br)ccc21 85210679 DFJAUBAWNZPINB-SNVBAGLBSA-N 314.179 3.407 0 40 DGAB O=C(N[C@H]1CC[C@H](Cc2ccccc2)C1)N[C@H]1CC[C@H](O)CC1 249008915 WLQBYQKDOGQGKL-ZJPYXAASSA-N 316.445 3.001 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@H](C)CCC(C)C)c1cccs1 40032262 YZKAVJAWZVXNQY-OCCSQVGLSA-N 310.463 3.256 0 40 DGAB CCOc1ncccc1CNC(=O)N1c2ccccc2C[C@@H]1C 40095122 ISHYPZNEGBYEEP-ZDUSSCGKSA-N 311.385 3.141 0 40 DGAB COc1ccc([C@@H](NC(=O)c2cc(C3CC3)on2)C2CC2)cc1 40485455 QSNDZYFAKKOYOS-KRWDZBQOSA-N 312.369 3.442 0 40 DGAB COc1cc(NC(=O)[C@@H]2CC2(Cl)Cl)c(OC)cc1Cl 21320720 OWAQIIHNXHTTNV-LURJTMIESA-N 324.591 3.490 0 40 DGAB O=C(Cc1ccsc1)Nc1ccc(C(=O)N2CCCC2)cc1 32906979 CWYKEVGJZBHKMM-UHFFFAOYSA-N 314.410 3.165 0 40 DGAB Cc1ccccc1N(C(F)F)S(=O)(=O)c1cccs1 525360 SNZRYUSAXWXDGT-UHFFFAOYSA-N 303.355 3.474 0 40 DGAB Cc1ccc(C(=O)CCC(=O)Nn2cnc3ccccc32)s1 22024093 ZFSPXODJJCIQTJ-UHFFFAOYSA-N 313.382 3.139 0 40 DGAB Brc1cc(Br)cc(C2OCCO2)c1 22003458 OBXZDDQGPKSYIL-UHFFFAOYSA-N 307.969 3.257 0 40 DGAB CC(C)Cc1nc2sc3c(NN)ncnc3c2c2c1CCC2 520353 KLZHXIRMUPKJPF-UHFFFAOYSA-N 313.430 3.212 0 40 DGAB c1ccc(N2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1 53274820 PMMMMZICRVMUKQ-UHFFFAOYSA-N 318.424 3.195 0 40 DGAB in-vitro CCOC(=O)CCCCCC(=O)c1cc(OC)cc(OC)c1 2580443 YASYRILCKARUNF-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB O=C(COC(=O)Cc1ccsc1)Nc1cccc(Cl)c1 2616777 QIPIFURUERNYBO-UHFFFAOYSA-N 309.774 3.126 0 40 DGAB O=C(CCC(=O)NCc1cccs1)NCCC1=CCCCC1 4662593 QSCJIWGFUSAEFB-UHFFFAOYSA-N 320.458 3.151 0 40 DGAB Cc1cc(C(=O)COC(=O)c2c[nH]c3ccccc23)c(C)n1C 5090651 TYAKKIGDDUFRKH-UHFFFAOYSA-N 310.353 3.163 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccccc1C(=O)NC1CC1 5550174 PSGYOUWMFZQMNQ-JLHYYAGUSA-N 306.365 3.231 0 40 DGAB Cc1cc(C)n2nc(SCc3nc4ccccc4o3)nc2n1 6880330 ZATHDQMTZAOLBV-UHFFFAOYSA-N 311.370 3.175 0 40 DGAB CCOc1c(CNCc2ccc(OC)cc2)cccc1OC 7538500 VXGQQTDEPIZIBY-UHFFFAOYSA-N 301.386 3.392 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)cc1F 8041103 YBBMGQFJLOQTJZ-JTQLQIEISA-N 307.296 3.379 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@H]1c1cccs1 8076167 DFWIXVPKYBQUCD-SWLSCSKDSA-N 315.394 3.252 0 40 DGAB CCc1ccc(CNn2c(-c3ccncc3)n[nH]c2=S)cc1 8338016 IYJDXCAKUBXQIU-UHFFFAOYSA-N 311.414 3.309 0 40 DGAB COc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1Cl 8555974 CHIBKASCCJZPBP-UHFFFAOYSA-N 300.811 3.208 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 8734968 PWLNHLNQAVWRKQ-ABAIWWIYSA-N 312.344 3.129 0 40 DGAB COc1ccc(C)cc1NC(=O)c1cncn1-c1ccccc1 8778672 AIXVXTXDRVWGJS-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CCOC(=O)c1c(N)c(C(=O)c2ccc(C)cc2)n2ccccc12 9316406 KRVSLRYDKZUXQH-UHFFFAOYSA-N 322.364 3.238 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccccc2F)c1C 9514550 PCMDUABRNWBTAO-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB O=C(CCCOc1ccccc1)NCCCN1CCCCCC1 10111317 DGYALJQHUJMUOD-UHFFFAOYSA-N 318.461 3.228 0 40 DGAB O=C(Nc1ccc2ncsc2c1)[C@@H]1COc2ccccc2O1 10217309 ZXNKERIXUGDPOE-AWEZNQCLSA-N 312.350 3.075 0 40 DGAB CCC[C@@H](C)NC(=O)c1ccc(Cn2nnc3ccccc32)cc1 11595544 UQJLWLQLEACKPJ-CQSZACIVSA-N 322.412 3.398 0 40 DGAB Cc1sc2nc(CN3CCc4ccccc4C3)nc(N)c2c1C 12542842 ORAGKYKUWCFNLE-UHFFFAOYSA-N 324.453 3.449 0 40 DGAB COc1ccc(NC(=O)CSc2ccc(F)cc2F)cn1 12544171 FTTLEBIIBXONBX-UHFFFAOYSA-N 310.325 3.099 0 40 DGAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2cccs2)c1 12980673 XXPJSDXKDMFOMT-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CCOC(=O)c1ccc(NC(=S)N2C[C@H]3CC[C@@H]2C3)cc1 15084224 YQTGXYFCOLKVSH-SMDDNHRTSA-N 304.415 3.044 0 40 DGAB CCOC(=O)c1c[nH]c2cc(OCc3ccccc3)ccc2c1=O 16124979 AJFAAXMCFXOPOM-UHFFFAOYSA-N 323.348 3.284 0 40 DGAB COC(=O)c1ccc(C)c(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c1 16274910 IXVKXGVBCOPREZ-ZOWXZIJZSA-N 318.442 3.257 0 40 DGAB COc1ccc(Nc2nnc(-c3ccc(C)cc3)c(O)n2)cc1 16777322 SVIACESEBOZKRN-UHFFFAOYSA-N 308.341 3.305 0 40 DGAB CCc1ccccc1NC1=NCC(=O)N1Cc1ccc(OC)cc1 19523044 LNYPMXZONAVEOY-UHFFFAOYSA-N 323.396 3.068 0 40 DGAB Cc1nn(C)cc1-c1cncn1[C@H](CCN(C)C)c1ccccc1 19719507 XUJJFLCJYCEQEV-GOSISDBHSA-N 323.444 3.133 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc(F)cc2F)cc1OC 20029729 UZQHPOOEINXYDF-JTQLQIEISA-N 321.323 3.473 0 40 DGAB CCN(CC)C(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 20369099 HWXPVOUVFFBKSH-UHFFFAOYSA-N 322.836 3.061 0 40 DGAB COc1cccc(-c2nc(Cl)n(-c3nc(C)cc(C)n3)n2)c1 22125579 CGJTZTHQVXXSQL-UHFFFAOYSA-N 315.764 3.003 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@H](c1ccsc1)N(C)C 23133409 OOMJFMXGJZTDBJ-CYBMUJFWSA-N 321.446 3.201 0 40 DGAB CC[C@H](C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O)c1ccccc1 24020472 CJMCDLPXVAOGNU-AWEZNQCLSA-N 322.364 3.045 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2cc(C3CC3)on2)c1 26176309 BNTYZVSAILAZHA-JTQLQIEISA-N 316.357 3.060 0 40 DGAB CCCc1noc(COc2ccc3c(C)cc(=O)oc3c2)n1 29458121 ONWYUKRPTHILDK-UHFFFAOYSA-N 300.314 3.016 0 40 DGAB O=C(CSc1ccncc1)NCCc1cccc(Cl)c1 32499001 UMXLWHHWKWMUBT-UHFFFAOYSA-N 306.818 3.186 0 40 DGAB COCc1cccc(C(=O)OCc2cn3cc(C)ccc3n2)c1 32830127 LZRZDJSWQWHEDP-UHFFFAOYSA-N 310.353 3.146 0 40 DGAB Fc1ccc(OCC[C@H]2CCCCN2)c(Br)c1 42773545 VKAGKRSEONFEMQ-LLVKDONJSA-N 302.187 3.499 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccncc1 43136980 RPBMLBNJRYPJNO-OAHLLOKOSA-N 314.389 3.023 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=S)NC1CCCCC1 44106535 ZCGYNVDCCVFFDX-UHFFFAOYSA-N 302.447 3.202 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)Nc2cccnc2)CC1 45758462 FOVKDZFRHGNMNQ-UHFFFAOYSA-N 324.428 3.176 0 40 DGAB CC(C)c1nc2cc(NC(=S)NC[C@@H]3CCCO3)ccc2o1 46111316 VEFYBWXYNHNTCQ-LBPRGKRZSA-N 319.430 3.417 0 40 DGAB CCSc1ccccc1NC(=O)N(C)Cc1cnn(C)c1 47856705 BWNIBPLGDQVTQP-UHFFFAOYSA-N 304.419 3.196 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)N(C)CC1CC1 55521354 KONWZQNPNMDIFB-VAWYXSNFSA-N 309.413 3.371 0 40 DGAB CCCc1nc(N2CCCCCC2)c2c(n1)c(C)nn2CC 57355857 PFVYOXDCVTZBAM-UHFFFAOYSA-N 301.438 3.488 0 40 DGAB C[C@H]1CN(C(=O)CNc2cc(Cl)ccc2Cl)C[C@H](C)O1 57525193 FRYLZFCILYDXMQ-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB Cc1ccc(C2(NCc3ccnc(N4CCCC4)n3)CC2)cc1 57823148 KRZJLVCSVVQELW-UHFFFAOYSA-N 308.429 3.164 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1c1nc2ccccc2o1 58402398 KRTPHZUMGWUMJU-OAHLLOKOSA-N 307.353 3.435 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NC[C@H](C)N(C)c1ccccc1 65503330 LWBZPFUHXWRQPW-QWHCGFSZSA-N 315.417 3.036 0 40 DGAB O=C(NC[C@@H](O)c1ccc2ccccc2c1)Nc1ccncc1 67408083 XHAKGDCHTMCUKB-QGZVFWFLSA-N 307.353 3.090 0 40 DGAB O=C1NC[C@H](CSc2ncc(-c3ccccc3)n2C2CC2)O1 69324794 NYUHDIJEPAMQCM-CYBMUJFWSA-N 315.398 3.086 0 40 DGAB CC(C)COCCC(=O)NCCc1coc(-c2ccccc2)n1 69439436 YDPWWECWRCJDKW-UHFFFAOYSA-N 316.401 3.063 0 40 DGAB CO[C@@](C)(C(=O)Nc1cccc(CN(C)C)c1)c1ccccc1 69453725 IXNITZKRAWJFGS-LJQANCHMSA-N 312.413 3.249 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H](n2ccnc2)C1 69901821 ONCLPYLRUDWEAL-MRXNPFEDSA-N 322.412 3.161 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccc[nH]1 71818745 NKZSNSWJHBCBEJ-HNNXBMFYSA-N 312.369 3.040 0 40 DGAB Cc1cccc(C[S@](=O)[C@H](C)C(=O)NC2CCCCC2)c1 71858893 IYXFKRGTRXMACB-SPLOXXLWSA-N 307.459 3.081 0 40 DGAB CCC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCc1cccs1 72268637 XAXNDIMJIMNTIS-HOTGVXAUSA-N 306.475 3.156 0 40 DGAB CC(=O)N1CCCC[C@H]1c1ccnc(Nc2ncc(C)s2)n1 72377495 LXZVKROHVLHQPW-ZDUSSCGKSA-N 317.418 3.059 0 40 DGAB Cc1cc(NC(=O)Cc2cn(C(C)C)c3ccccc23)nn1C 72402793 YHVAPQXEUODIBK-UHFFFAOYSA-N 310.401 3.445 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)N(C)[C@@H](C)c2cccnc2)C12CCC2 74604130 NHQZZYBTUWXGTD-CWRNSKLLSA-N 317.433 3.132 0 40 DGAB CC(C)Cc1nnc([C@H](C)N[C@H](C)c2ccc3c(c2)OCO3)o1 76083704 ADAGSSWQFWJMAT-NEPJUHHUSA-N 317.389 3.409 0 40 DGAB O=C(Cc1ccccc1Cl)NCC[C@@H](O)c1cccs1 77113657 WRJYZIWGYGTTNJ-CYBMUJFWSA-N 309.818 3.184 0 40 DGAB COc1cc(C(=O)N2CCCC[C@H]2C(C)C)cc(OC)c1OC 78769594 YCKCOPABOVVIRG-AWEZNQCLSA-N 321.417 3.363 0 40 DGAB CC(C)(CC(=O)Nc1cccc(Oc2ccccn2)c1)C(=O)O 78938403 GPLCYMJNOANFDK-UHFFFAOYSA-N 314.341 3.313 0 40 DGAB Cc1cccc([C@H](NC(=O)CN2CCCOC2=O)C(C)(C)C)c1 84617883 IPZGEHUPSFGVIO-INIZCTEOSA-N 318.417 3.041 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@@H]1C[C@@H]1C1CCCCC1 89818266 HLLJTPXNCRYWMP-HUUCEWRRSA-N 317.433 3.355 0 40 DGAB CCO[C@@H]1C[C@H](NC2CCN(C(=O)CC)CC2)C12CCCCC2 89941632 CTVRXOLIWGNOSK-DLBZAZTESA-N 322.493 3.105 0 40 DGAB Cc1[nH]ccc1C(=O)Nc1nnc(/C=C/c2ccco2)s1 95450920 GUYPDWOJGKTIMQ-SNAWJCMRSA-N 300.343 3.190 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1cccc2c1ccn2C(C)C 95474175 UCZONMSVPMFYQM-OAHLLOKOSA-N 313.445 3.436 0 40 DGAB C[C@@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1cccs1 95949573 YNCMPGGMSJDVDI-LLVKDONJSA-N 312.394 3.091 0 40 DGAB O=c1cccc(Cl)n1Cc1sccc1Br 95965601 QMAOYMRXXAYLAL-UHFFFAOYSA-N 304.596 3.374 0 40 DGAB CC(C)(CN1CCC[C@H]1c1cccc(Cl)c1)S(C)(=O)=O 95982575 QDZYELTXGZVMDS-AWEZNQCLSA-N 315.866 3.300 0 40 DGAB CCOc1ccc(NC(=O)N2CCC[C@@H]2C(C)(C)O)cc1C 95994324 FTGSNBANOCFGQE-OAHLLOKOSA-N 306.406 3.161 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)[C@H]3CC=CCC3)cc2)C1 96122231 HRTYOBYRMMYRIO-WMLDXEAASA-N 300.402 3.207 0 40 DGAB COc1ccc(-c2cn[nH]c2-c2cc(OC)c3c(c2)OCO3)cc1 96336547 NSDDVUKEERLUQI-UHFFFAOYSA-N 324.336 3.490 0 40 DGAB CCOC(=O)c1cc(C2CC2)nc2cc(-c3ccccc3)nn12 96341566 STIVJORLLBGFIZ-UHFFFAOYSA-N 307.353 3.450 0 40 DGAB COCC[S@](=O)Cc1cccc(NC(=O)C2CCCCC2)c1 96408240 LTKOGCMCUNSSBO-JOCHJYFZSA-N 323.458 3.101 0 40 DGAB CCNC(=O)N1CCc2ccc(NC(=O)c3ccsc3)cc21 96423981 XRFILUKAPWPAJQ-UHFFFAOYSA-N 315.398 3.092 0 40 DGAB O=C(OCCOc1cccnc1)c1nc(Cl)ccc1Cl 96442240 PIKHMTNCLPZUKK-UHFFFAOYSA-N 313.140 3.019 0 40 DGAB CCC[C@H](C)C(=O)N[C@H](C)c1noc(Cc2ccccc2)n1 96456505 HTQXKTUJZIXGMC-QWHCGFSZSA-N 301.390 3.274 0 40 DGAB C[C@H]1C[C@@H](C)CCN(C(=O)Nc2ccc3c(c2)NC(=O)CC3)C1 96483750 GTSYWXVUBMCYIZ-STQMWFEESA-N 315.417 3.471 0 40 DGAB Cc1cccc2nc(CSCc3cccc(C(N)=O)c3)cn12 96501503 GZPAEBKDLOWTBB-UHFFFAOYSA-N 311.410 3.175 0 40 DGAB CC[C@H]([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96519463 ILVSTMBVXONYCK-SJORKVTESA-N 304.411 3.210 0 40 DGAB c1cc(NCc2cncnc2)nc(-c2ccc3c(c2)CCO3)c1 97094824 DDRICYXKFFWHBG-UHFFFAOYSA-N 304.353 3.086 0 40 DGAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2Cl)cc1 98071584 RPUYSJLSNIUNHF-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(C)c(C)c3)C2=O)c1 101275183 RDOWLOAPIRIDDP-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB Cc1nnsc1C(=O)N1CCCC[C@@H](c2ccc(F)cc2)C1 211080093 RMWAEBUGZDDFST-CYBMUJFWSA-N 319.405 3.396 0 40 DGAB Clc1ccc(-c2ccc3nnc([C@H]4CCCCN4)n3n2)cc1 217563565 WUACSLUSLZPQIQ-CQSZACIVSA-N 313.792 3.259 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2ccc(F)cc2)c1C 224671077 IZAJDEGXOYMSLH-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB O=C(CCc1cccc(Cl)c1)N1CCC2(CC1)OCCCO2 225620460 YNEMGIPQBKHVTJ-UHFFFAOYSA-N 323.820 3.028 0 40 DGAB Nc1ccc(N2CCCC2)c(NC(=O)C(Cl)(Cl)Cl)c1 226255484 XELMCECYUCVUQF-UHFFFAOYSA-N 322.623 3.178 0 40 DGAB COCCCCN1CCC(NC(=O)[C@@H](C)CC2CCCC2)CC1 521394132 PFTVWYUXYSOFQX-INIZCTEOSA-N 324.509 3.210 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC(=O)NCc1cccnc1C 527778750 FBBDCOUNSPZNIV-GFCCVEGCSA-N 317.364 3.098 0 40 DGAB COCCn1cc(CNc2cccc3c2OC(C)(C)CC3)cn1 527814430 UYNMVQQZIIEWJD-UHFFFAOYSA-N 315.417 3.245 0 40 DGAB CC(F)(F)c1ccccc1NC(=O)N[C@]12C[C@H]1COC2(C)C 529109958 IFLUQODDRJPHFM-MGPLVRAMSA-N 310.344 3.487 0 40 DGAB COc1ccc2c(c1)OC(C)(C)CN([C@H](CC(C)C)C(=O)O)C2 576769441 RFZCMQHSGALIFL-OAHLLOKOSA-N 321.417 3.168 0 40 DGAB CC(C)[C@@]1(C)C[C@@H]1N=c1[nH]n2cc(-c3cccnc3)nc2s1 578737246 QWYUDIVMZUCHGP-XJKSGUPXSA-N 313.430 3.121 0 40 DGAB CCC1CCN(C(=O)CC2CCN(CC(F)F)CC2)CC1 585129346 GGDHEJDMRWLSGE-UHFFFAOYSA-N 302.409 3.002 0 40 DGAB CC[C@@H]1CCCN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47103242 AZIURTJSAYCDOE-SNVBAGLBSA-N 317.414 3.260 0 40 DGAB CCCNc1ccc(Cl)cc1NC(=O)c1c[nH]c(C)cc1=O 97048422 SDCLTQYETQOVHN-UHFFFAOYSA-N 319.792 3.411 0 40 DGAB O=C(NC1CCCCC1)c1ncccc1OCc1ccncc1 76945033 KQJCJMPINZMTTE-UHFFFAOYSA-N 311.385 3.118 0 40 DGAB Cc1c(Cl)ccc2sc(NC(=O)C3=COCCO3)nc12 2723868 LEUYRVIPVUQDBF-UHFFFAOYSA-N 310.762 3.085 0 40 DGAB CCCC(=O)N(CCOC)c1nnc(-c2ccccc2C)s1 4982447 BXPZWRGGRQIKQG-UHFFFAOYSA-N 319.430 3.293 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NCc2ccccc2F)c(C)c1 6844598 RTMLTMKFSCWBOE-UHFFFAOYSA-N 307.390 3.229 0 40 DGAB Cc1csc2nc(CN3c4ccccc4C[C@H]3C)cc(=O)n12 8344456 IVKMJOGKDXDHCJ-LLVKDONJSA-N 311.410 3.016 0 40 DGAB COc1cccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)c1 8367573 ZEOPCCSIDRHUAJ-UHFFFAOYSA-N 310.397 3.266 0 40 DGAB COc1ccc(-c2nnnn2-c2cccc(C(F)(F)F)c2)cc1 1402900 UCERDHSYFZGECO-UHFFFAOYSA-N 320.274 3.357 0 40 DGAB O=C(NC[C@@H]1CCC[C@@H](O)C1)N[C@@H]1CCCc2cc(F)ccc21 108150699 JSTLCONRLKGWFH-SRCQZFHVSA-N 320.408 3.053 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1sccc1C 12679639 AAQOWDDKRPRGTM-UHFFFAOYSA-N 304.371 3.276 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cc(-c2cccc3ccccc23)[nH]n1 44839389 RJZUSCLUFJPXME-AWEZNQCLSA-N 321.380 3.139 0 40 DGAB O=S(=O)(Nc1ccccc1)c1cc(-c2ccno2)cs1 44892955 QXGLDGIXQNMSOB-UHFFFAOYSA-N 306.368 3.204 0 40 DGAB COCCN1C(=O)[C@@H](Sc2ccccc2)[C@@H]1c1cccs1 58203123 LMFUXTMFBDEJSG-GJZGRUSLSA-N 319.451 3.439 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)N1[C@@H]2CC[C@@H]1COC2 101466932 MQIZBGDUQPIGTB-RTBURBONSA-N 307.393 3.286 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc3ccccc23)C1 21871824 OLKBMUIVWBXGFT-ZBFHGGJFSA-N 324.424 3.353 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)no2)s1 36390803 BMYWMWAEABUJHX-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB CN(C)C(=S)SCC(=O)Nc1cccc(C(F)(F)F)c1 3359859 WMCSGQUFAPNHCU-UHFFFAOYSA-N 322.377 3.224 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)[C@H]1CC=CCC1 29897832 MTRQLZIKACHGSQ-HOTGVXAUSA-N 302.418 3.279 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2[C@@H](C)c2nc(C3CC3)no2)c1 72253315 SAONDQLQHXDCQR-DZGCQCFKSA-N 315.421 3.068 0 40 DGAB O=C1CN(C(=O)/C=C/c2cccc(Cl)c2)c2ccccc2N1 2645973 UZGNZBSGUDRYQU-CMDGGOBGSA-N 312.756 3.339 0 40 DGAB CC(=O)NCc1ccc(C(=O)COc2ccccc2Cl)s1 60694397 XHDCWKKLRBHBSL-UHFFFAOYSA-N 323.801 3.299 0 40 DGAB CC[C@@]1(c2ccccc2)NC(=O)N(Cc2ccccc2F)C1=O 3462107 BYGGXXVGSRTTFC-SFHVURJKSA-N 312.344 3.183 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NC1CCCCCC1 3613275 ZMARPRNSLSETEX-GFCCVEGCSA-N 322.836 3.297 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)c2sc(C)nc2C)no1 96001111 UCVIOOLPYJAEQO-GFCCVEGCSA-N 320.418 3.209 0 40 DGAB O=C1CN(C(=O)Cc2c(F)cccc2Cl)c2ccccc2N1 14017871 SPEGNQNTBGKBKL-UHFFFAOYSA-N 318.735 3.007 0 40 DGAB CCn1c([C@H](C)NC(=O)c2scnc2C)nc2ccccc21 65565598 REHCRTIJJAXCAO-NSHDSACASA-N 314.414 3.312 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccccn2)c(C(F)(F)F)c1 14119900 WSYCGVQJKGOCNM-UHFFFAOYSA-N 323.274 3.311 0 40 DGAB CC[C@@](C)(O)CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 66158348 VLYDNCVEUHMTNC-MRXNPFEDSA-N 320.389 3.011 0 40 DGAB O=C(O)[C@@H]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)CCCC2 6668231 OHULBSIEGVKYJM-HZPDHXFCSA-N 301.386 3.395 0 40 DGAB Cc1ccc(-n2nnnc2-c2cn[nH]c2-c2ccc(F)cc2)cc1 5634884 ZTNKAWJJXPYVLP-UHFFFAOYSA-N 320.331 3.167 0 40 DGAB Cc1ccc(NC(=O)NC(=O)COc2ccccc2F)c(C)c1 5859549 APJZARBEVDZJIK-UHFFFAOYSA-N 316.332 3.170 0 40 DGAB O=S(=O)(Oc1ccc2ccccc2c1CO)c1ccccc1 409134299 OPQSQJMFSKRWSB-UHFFFAOYSA-N 314.362 3.100 0 40 DGAB Nc1nc(Sc2ncnc3ccsc23)nc2sccc12 9415873 DROULIIDOJARSO-UHFFFAOYSA-N 317.424 3.429 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N1CCCN(Cc2ccccc2)CC1 71794488 WVAJMFPBWOILOA-UHFFFAOYSA-N 317.820 3.016 0 40 DGAB Cc1cccc(-c2[nH]ncc2C(=O)NCCc2cccs2)c1 72329138 JOKDAMLEBUWGRC-UHFFFAOYSA-N 311.410 3.419 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)Nc2ccc(F)c(F)c2)s1 7776675 UCZWDFZZRUOBFG-ZCFIWIBFSA-N 315.370 3.244 0 40 DGAB COc1cccc(C(=O)Oc2ccc(C(C)=O)cc2OC)c1 7753381 IYNIMPCMRKGNKI-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N1CCCC[C@H]1C1OCCO1 69198886 KPLYWXZHSGWGER-ZDUSSCGKSA-N 310.781 3.099 0 40 DGAB O=C(c1occc1Br)N1CCOc2ccccc2C1 81707020 GZMQICZHMBKQTC-UHFFFAOYSA-N 322.158 3.077 0 40 DGAB COc1cccc(CNC(=O)c2cc(Cl)ccc2OC)c1 8379300 ZWLVRNDZQNBGNP-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1ccc(C[S@](=O)CC(=O)Nc2ccc(C)cc2)cc1 71801206 PBTUFSCGXXGWCQ-OAQYLSRUSA-N 301.411 3.191 0 40 DGAB CNC(=O)Cc1nc(CN[C@H]2CCCC[C@H]2C(C)(C)C)cs1 72309158 VWBDLMMUWLIOSM-KGLIPLIRSA-N 323.506 3.126 0 40 DGAB COc1ccccc1[C@@H]1SCC(=O)N1c1ncc(C)s1 17198020 URCPIAFXPQVREH-ZDUSSCGKSA-N 306.412 3.239 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3cc(F)cc(F)c3)n2)cc1 19910674 FUEMJLYJHMLQES-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CN(C[C@@H](O)c1ccc(F)cc1)C(=O)c1ccc2cc[nH]c2c1 87554586 XEXCDUVZFBPIBL-QGZVFWFLSA-N 312.344 3.113 0 40 DGAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)C(C)(C)C 8606894 FZJJDILRQGEOHX-UHFFFAOYSA-N 300.402 3.311 0 40 DGAB O=C(NCc1cccnc1)c1c2c(nc3ccccc13)CCCC2 8747395 MNOYFELMLAAXGX-UHFFFAOYSA-N 317.392 3.439 0 40 DGAB Cc1nc(NC(=O)[C@@H]2CC2(Cl)Cl)ccc1Br 72512207 RXKJCDAOWOSDRU-LURJTMIESA-N 324.005 3.285 0 40 DGAB c1ccc(C[C@@H](NCc2nnc3n2CCCCC3)C2CC2)cc1 95419382 RLJDOLBPQHYECT-QGZVFWFLSA-N 310.445 3.115 0 40 DGAB COCCC1(C(=O)Nc2nn(-c3ccccc3)cc2C)CCC1 95415183 BCOHUQRODYKFDX-UHFFFAOYSA-N 313.401 3.326 0 40 DGAB CCSCC[C@@H](C)NC(=O)C[C@@](O)(c1ccccc1)C1CC1 84812063 HDUNTAOLDCFXRF-RDTXWAMCSA-N 321.486 3.322 0 40 DGAB C[C@@H](NC[C@@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 95943531 CQDGOPJCQIYBHB-PSASIEDQSA-N 319.232 3.378 0 40 DGAB COc1ccccc1COC1CCN(CC2=CCCOC2)CC1 95999483 XTXQLDZUNKHGSH-UHFFFAOYSA-N 317.429 3.023 0 40 DGAB CO[C@@H]1[C@@H](C)[C@H](NCc2nc3ccc(Cl)cc3n2C)C1(C)C 95989224 OTTKKFMDDJIDBM-CIISACIHSA-N 321.852 3.376 0 40 DGAB COc1ccc(C(=O)CCC(=O)NCc2ccsc2)cc1F 89457575 UMNNWPUZBHVJSM-UHFFFAOYSA-N 321.373 3.175 0 40 DGAB Cc1cc(C(=O)N(C)[C@H](c2ccccc2)C(F)(F)F)ncn1 89600819 UVDZUYBEWGMRMJ-CYBMUJFWSA-N 309.291 3.161 0 40 DGAB CC(C)C(=O)Nc1ccc(OC(=O)c2ccncc2F)cc1 89775724 JOVDZJGMXXDWEY-UHFFFAOYSA-N 302.305 3.034 0 40 DGAB CCC[C@H]1C[C@@H]1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 75376646 PMNKGNVHYLPHQI-JSGCOSHPSA-N 303.402 3.040 0 40 DGAB CC(C)Oc1cncc(C(=O)OCCN(C)c2ccccc2)c1 89888003 XEWOZPBDFNQILW-UHFFFAOYSA-N 314.385 3.162 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)c2cc(C)n(C(C)C)c2C)no1 76043750 DLKDHZABTNFRNQ-OAHLLOKOSA-N 316.405 3.355 0 40 DGAB FC(F)(F)Oc1ccc(CN2CCCNCC2)cc1Cl 71978885 FZGYRHGSZNKWNQ-UHFFFAOYSA-N 308.731 3.034 0 40 DGAB CN(Cc1ccncc1Cl)Cc1nccn1CC(F)(F)F 75713593 NTURCFNCKJAJGC-UHFFFAOYSA-N 318.730 3.126 0 40 DGAB Cc1cn2ccnc(C(=O)NCCCCCCC(C)C)c2n1 1540763011 SPMWOQHVXJSGRA-UHFFFAOYSA-N 302.422 3.374 0 40 DGAB COc1ccc(CC(=O)NCCCc2ccc(F)cc2)cc1 216493280 XPJPRCKUIDHGPP-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB CN(Cc1ccccc1C(F)(F)F)[C@H](C(=O)O)c1cccnc1 568061872 UZBRASJQHSZSSU-AWEZNQCLSA-N 324.302 3.358 0 40 DGAB CC[C@](O)([C@H]1CCCCN1C(=O)OC(C)(C)C)C(F)(F)F 72208724 AFRKPSLKWVQPJF-MFKMUULPSA-N 311.344 3.479 0 40 DGAB CCC(C)(CC)NC(=O)c1cccc(NC(=O)[C@@H]2CCCO2)c1 69743524 GJNFTTOSKHVKDW-HNNXBMFYSA-N 318.417 3.113 0 40 DGAB O=C(Cc1ccccc1Cl)NC[C@H]1COc2ccccc21 74913709 FWUKFDLIBWKRIZ-ZDUSSCGKSA-N 301.773 3.175 0 40 DGAB COC(=O)[C@@H](Nc1cnn(C(C)(C)C)c1)c1ccc(F)cc1 195563487 YDSJINXLCLHIIK-AWEZNQCLSA-N 305.353 3.103 0 40 DGAB CC(=O)NC1CCC(NCC2(c3c(F)cccc3F)CC2)CC1 195565196 ASZHSLKMIMOOJL-UHFFFAOYSA-N 322.399 3.033 0 40 DGAB CCCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 41095637 MYGYZWBUMMHSBX-UHFFFAOYSA-N 311.447 3.429 0 40 DGAB COc1ccc(C(=O)Nc2cccc([C@@H](C)O)c2)cc1OC 226274565 ABPPBUYGZNBDNR-LLVKDONJSA-N 301.342 3.009 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1cccc(C)c1C 225464190 KJMJQTHOJXRKKM-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB Brc1cc(-n2cnnc2)ccc1N1CCCCC1 226275974 BEHGBBASZYDENO-UHFFFAOYSA-N 307.195 3.020 0 40 DGAB c1csc(CN2CCC[C@]3(C[C@@H](OCC4CC4)CO3)C2)c1 96107245 HTDNSBDZVMJHSC-WBVHZDCISA-N 307.459 3.298 0 40 DGAB Cc1nc(NCCc2ccccc2)cc(C(=O)N2CCCCC2)n1 96182808 VAYVBQQGFLQTSJ-UHFFFAOYSA-N 324.428 3.066 0 40 DGAB Cc1cccc([C@H](NC(=O)CCn2cccn2)C(F)(F)F)c1 96500592 JJDIUDNMJTUVIE-AWEZNQCLSA-N 311.307 3.001 0 40 DGAB CS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 96416555 DXFYJLWMNHAJBJ-DZGCQCFKSA-N 324.421 3.188 0 40 DGAB Fc1ccc(CN2CCC3(CC2)C[C@@H](N2CCCC2)CO3)cc1 96220746 WJTQRSUDHRZICH-GOSISDBHSA-N 318.436 3.045 0 40 DGAB O=C(CCC(=O)N1CCOC[C@@H]1c1ccccc1)c1ccccc1 96433013 ZCVXFNNHGZTZON-GOSISDBHSA-N 323.392 3.250 0 40 DGAB C[C@H](CCc1cccn1C)NC(=O)[C@H]1CCOc2ccccc21 96425742 NULBMSZQKNYOPI-PBHICJAKSA-N 312.413 3.029 0 40 DGAB CC(C)[C@H](N)c1n[nH]c(COc2ccc(C(C)(C)C)cc2)n1 95534792 LQAJTDHLNPBDPY-HNNXBMFYSA-N 302.422 3.337 0 40 DGAB C[C@@H]1c2c(F)cccc2CCN1C(=O)c1occ2c1CCOC2 585081785 BAOZRNWQAQIHEH-LLVKDONJSA-N 315.344 3.251 0 40 DGAB Cc1nc([C@H]2CCCNC2)nc2c1CCCN2Cc1ccccc1 257275000 NNOTZJPKDKCCAU-KRWDZBQOSA-N 322.456 3.205 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCCN1C(=O)CCc1c(C)noc1C 257222615 DUABQZBQXSGNIB-OAHLLOKOSA-N 316.405 3.009 0 40 DGAB CNc1cc(C)nc([C@@H]2CCN(C(=O)c3ccc(F)cc3)C2)c1 257219458 DGVREHFJEJKETD-CQSZACIVSA-N 313.376 3.201 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)[nH]c2c1 69490168 HXIZDZJKZAOJEA-QZTJIDSGSA-N 311.429 3.175 0 40 DGAB C[C@@H](c1cnn(C)c1)c1nc(CC[C@H]2CC2(Cl)Cl)no1 585120231 AQLXIEHRRURPJS-WPRPVWTQSA-N 315.204 3.081 0 40 DGAB Cc1ccccc1-c1ccc(CN2C(=O)CC[C@H]2C(=O)O)cc1 577006302 QSRLIRHZNJIAMM-KRWDZBQOSA-N 309.365 3.238 0 40 DGAB O=C1C[C@@H]2CCN(CC3CC3)C[C@@H]2CCOc2ccccc2N1 1534646541 NDAQALGWVPSGFK-HOTGVXAUSA-N 314.429 3.146 0 40 DGAB C[C@@H]1C[C@@H](c2ccccc2)n2nc(NC(=O)C(C)(C)C)nc2N1 5272132 LAMVUFDHLBTFEL-YPMHNXCESA-N 313.405 3.056 0 40 DGAB Cc1cc([C@@H]2CCCCCN2C(=O)c2c(C)noc2C)no1 12185812 LEGSJEJQVBLOEX-AWEZNQCLSA-N 303.362 3.345 0 40 DGAB O=C(Nc1c[nH]c2cc(Cl)ccc2c1=O)N1CCCCC1 13565955 OPMCXKQLLWSDBR-UHFFFAOYSA-N 305.765 3.199 0 40 DGAB COC(=O)c1ccc(Cl)cc1NC(=O)/C=C/c1ccco1 2708210 HSIJRVQWYKELQE-FNORWQNLSA-N 305.717 3.372 0 40 DGAB Cc1sc2ncnc(SCC(=O)NC(C)(C)C)c2c1C 933053 BCDJPNPDHWWVHX-UHFFFAOYSA-N 309.460 3.315 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1cc(F)cc(F)c1 2623180 HZQGDMOHFCQYDX-UHFFFAOYSA-N 318.323 3.054 0 40 DGAB Cc1ccc(CN2C(=O)N[C@](C)(c3cccs3)C2=O)cc1 9515524 DAXMLKPHBLAPAL-MRXNPFEDSA-N 300.383 3.024 0 40 DGAB COc1cccc(CC(=O)NCc2nccc3ccccc23)c1 14387813 UJFXDZSDEWNSRW-UHFFFAOYSA-N 306.365 3.102 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)[C@@H]1COc2ccccc2C1 23135120 RADSFDBMECJNMV-LBPRGKRZSA-N 300.383 3.210 0 40 DGAB O=C(c1ccsc1)N1C[C@@H]2CN(CC3CCCCC3)C[C@H]2C1 1201394598 YFLBXYIHNSUHCS-IRXDYDNUSA-N 318.486 3.332 0 40 DGAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1ccncc1 1565549876 HRWKYWFVLNVALM-MNEFBYGVSA-N 321.424 3.018 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccccc1Cl 4107504 ORTCTRIYQYSZQX-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB c1csc(OC2CCN(c3nccc4occc34)CC2)n1 2086886995 NAQSHQQCPUKTGI-UHFFFAOYSA-N 301.371 3.332 0 40 DGAB O=C(Cn1c(-c2ccccn2)nc2ccccc21)N1CCCCC1 38488245 LSCHSGRWWYWOKU-UHFFFAOYSA-N 320.396 3.111 0 40 DGAB CC(=O)OC(C)(C)C(=O)N[C@H](C)Cc1csc2ccccc12 575620957 NENKRAGRVWUQLY-LLVKDONJSA-N 319.426 3.290 0 40 DGAB O=C1C[C@@H](C2(c3ccc4c(c3)OCO4)SCCCS2)CO1 1859386 OWUSQWFRFADSFN-LLVKDONJSA-N 324.423 3.001 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc(C)c2C)cc1C(=O)O 13348686 AFRPIODNEUXOFP-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)NCc1ccc(O)cc1 40068201 SKKVFBABTZRHIX-UHFFFAOYSA-N 314.366 3.347 0 40 DGAB O=C(Nc1nnc2ccccn12)c1ccccc1C(F)(F)F 31775544 PTXHLAWMJHJRCV-UHFFFAOYSA-N 306.247 3.000 0 40 DGAB Cc1cc2nnc(SCc3nc4ccccc4o3)n2c(C)n1 32922548 BTIFUXSZAPYTOS-UHFFFAOYSA-N 311.370 3.175 0 40 DGAB COc1ccc(CC(=O)O[C@@H](C)C(=O)c2ccc(C)cc2)cc1 482409 RYMUCCQYHUQKCI-AWEZNQCLSA-N 312.365 3.361 0 40 DGAB CC(=O)c1sc2nc(-c3ccc4c(c3)OCO4)ccc2c1N 521161 MXQJPRYSRUOLJK-UHFFFAOYSA-N 312.350 3.477 0 40 DGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccccc1F 547398 WPLVCKVWTOTHPF-UHFFFAOYSA-N 312.300 3.346 0 40 DGAB O=C(NC1CCN(c2ccc(F)cc2)CC1)c1cccs1 53244410 YLKIBJVAXZGCIZ-UHFFFAOYSA-N 304.390 3.286 0 40 DGAB Nc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1 93789 ISHUJTCCBMWDIQ-UHFFFAOYSA-N 316.304 3.088 0 40 DGAB CN(Cc1ccccc1)S(=O)(=O)Cc1ccccc1Cl 111539 BEGIQHHTKHSLFW-UHFFFAOYSA-N 309.818 3.302 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)Nc1nncs1 804732 PABVGZJLARNOTP-LURJTMIESA-N 318.185 3.251 0 40 DGAB Cc1cc(C)c(NC(=O)CCn2nnc3ccccc32)c(C)c1 412858 BFNARURGJASIJH-UHFFFAOYSA-N 308.385 3.385 0 40 DGAB Cc1cccc2c(SCC(N)=O)nc(-c3ccccc3)nc12 422478 KSRQZXSAMQLYDW-UHFFFAOYSA-N 309.394 3.183 0 40 DGAB CN(Cc1cccc(C(N)=O)c1)CC12CC3CC(CC(C3)C1)C2 47461656 CASGGHPHDGNVJI-UHFFFAOYSA-N 312.457 3.434 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1C1CCCCC1 801977 BVXZCOGQAQHVSI-UHFFFAOYSA-N 311.451 3.389 0 40 DGAB CCCC[C@H](S[C@@](CC)(C(=O)O)c1ccccc1)C(N)=O 1751958 MYKPUUTZCNZZPJ-XJKSGUPXSA-N 309.431 3.154 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NCc1ccc(Cl)cc1 42860931 DBAVERGUNGRULE-UHFFFAOYSA-N 307.781 3.286 0 40 DGAB C[C@H](CCc1ccccc1)NS(=O)(=O)c1ccccc1F 7374985 LYJHKJKWEWOHAW-CYBMUJFWSA-N 307.390 3.125 0 40 DGAB O=C(CCC1CCCCC1)N[C@@H]1CCCc2[nH]c(=O)ccc21 43055517 DUFXSNUTBUPURW-OAHLLOKOSA-N 302.418 3.229 0 40 DGAB CN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(F)cc2)N3)C1 1251044 NUYAYOKUCWABRV-CQSZACIVSA-N 317.389 3.304 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)/N=c1/[nH]nc(-c2ccccc2)[nH]1 25155667 SIEKMMVTGNLKTQ-GFCCVEGCSA-N 324.409 3.013 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)/C=C/c1cccs1 12642125 MPDVMPWJISMSFO-XEHSLEBBSA-N 315.394 3.060 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CCCC[C@@H]1C 109351268 LGPUFMUNOIMBHS-NNZIWCLLSA-N 315.413 3.326 0 40 DGAB CCOc1ccc(N2C(=O)[C@H]3CC[C@](C)(C2=O)C3(C)C)cc1 100285999 DLTIGJNQDRWILU-RDTXWAMCSA-N 301.386 3.401 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)N[C@@H](C)c2ccc(C)o2)n1 44951308 DEYBXKZNRJXJKH-ABAIWWIYSA-N 318.421 3.098 0 40 DGAB CC1CCN(C[C@H]2CCCN(C(=O)c3ccccc3)C2)CC1 58365416 WBEOFHUCTHWKFX-QGZVFWFLSA-N 300.446 3.271 0 40 DGAB Cc1cccc(CN2[C@@H]3CC[C@@H]2c2cnc4cc(C)nn4c2C3)n1 100140990 ZHDZQEWYRMXVRO-NVXWUHKLSA-N 319.412 3.003 0 40 DGAB CSc1nnc([C@H](CC(C)C)NC(=O)OC(C)(C)C)o1 2233494 ZMHBXBXZTBZNTF-VIFPVBQESA-N 301.412 3.403 0 40 DGAB C[C@H](CCN[C@@H]1CC2(CCC2)Oc2ccccc21)[S@@](C)=O 108372305 RBUMWEATONXZAT-VWLHBSKXSA-N 307.459 3.180 0 40 DGAB O=C(NCCCN1CCc2ccccc2C1)c1ccccc1F 29838620 CTZDKECWENTMFP-UHFFFAOYSA-N 312.388 3.004 0 40 DGAB CSc1ccc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)cc1 12825029 VRSUBTCQWLTLAC-AWEZNQCLSA-N 312.394 3.473 0 40 DGAB Cn1ccnc1[C@H](NC(=O)Cc1ccccc1)c1ccc(F)cc1 12824094 LBLJVRVCRIDSKH-GOSISDBHSA-N 323.371 3.008 0 40 DGAB COc1ncccc1NC(=O)c1cc(-c2csc(C)n2)c[nH]1 49056376 JQNKJAPCVLLYEJ-UHFFFAOYSA-N 314.370 3.103 0 40 DGAB Cc1ccc(C)c([C@@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 4040468 GINHWNMIJHCFEI-MSOLQXFVSA-N 320.392 3.473 0 40 DGAB biogenic CSc1ccc(Cl)cc1NC(=O)N[C@H]1CCC[C@H]1O 72292021 NDIBIGAGZBSNOK-GXSJLCMTSA-N 300.811 3.097 0 40 DGAB COc1ccc(OCc2nccn2CC(F)(F)F)cc1F 72290803 BPEUNHMKBGVOSF-UHFFFAOYSA-N 304.243 3.172 0 40 DGAB CN(C(=O)Nc1ccccc1)C1CCN(c2ccccn2)CC1 66149174 WPWLKZVJYCHGKJ-UHFFFAOYSA-N 310.401 3.214 0 40 DGAB Cn1c(CCCCCNC(=O)c2ccccn2)nc2ccccc21 96231444 ZYULIYDKFLRYGJ-UHFFFAOYSA-N 322.412 3.111 0 40 DGAB COc1ccc(CN2CCO[C@@H](c3ccc(C)o3)C2)cc1OC 93864962 CBPOZEDMPBYVAD-GOSISDBHSA-N 317.385 3.179 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12 6992420 ADFMIJQNBVZKGP-UHFFFAOYSA-N 321.424 3.088 0 40 DGAB CCc1nc([C@H]2CCCN2C(=O)c2cc(C)sc2C)no1 72299202 PFPZUGIPTXFIKK-GFCCVEGCSA-N 305.403 3.288 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)c2sccc2C)cc1 15917069 FQDFEEVKYFUIIQ-UHFFFAOYSA-N 302.399 3.076 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)NCCC1=CCCCC1 16695471 PMZMMIGSJRREAY-HNNXBMFYSA-N 316.445 3.353 0 40 DGAB Cc1cc(Br)ccc1Nc1ncnc2c1cnn2C 9532088 JOBURUNWXCKGMD-UHFFFAOYSA-N 318.178 3.178 0 40 DGAB Cc1cc(C(=O)N2CCC(Nc3cccnc3)CC2)c(C)s1 69530107 ZZOMPMUOJPNQHP-UHFFFAOYSA-N 315.442 3.477 0 40 DGAB C[C@@H](C(=O)N(C)CCc1cccc2ccccc12)n1ccnc1 69589006 KBZWHGXHFVSYMF-HNNXBMFYSA-N 307.397 3.298 0 40 DGAB Cc1cnn([C@@H](C)[C@H](C)NCc2ccnc(-c3ccccc3)n2)c1 69535559 DHLWACPMRGSXDX-HOTGVXAUSA-N 321.428 3.388 0 40 DGAB O=C(Nc1cc(-c2ccccc2)n[nH]1)c1ccc2c(c1)OCO2 28240705 HUVRBFZBTWHMSI-UHFFFAOYSA-N 307.309 3.058 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)c2cc(Cl)c[nH]2)n1 71865480 IUUVNJNCGLIWDL-AWEZNQCLSA-N 320.824 3.176 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H]2CCCc3ccccc32)c1 8778103 CZVUMDMYJNFQBU-SFHVURJKSA-N 308.381 3.452 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CSCN2C(=O)OC(C)(C)C)c1 72089485 HXYFHUZFSWKBBX-CYBMUJFWSA-N 322.430 3.244 0 40 DGAB COC(=O)c1cc(NC(=O)C[C@@H](C)n2cccc2)cc(C)c1C 95398006 DVNDBNPGPDVTCZ-CYBMUJFWSA-N 314.385 3.481 0 40 DGAB CNc1nc(CNC(=O)Nc2cccc([C@H](C)OC)c2)cs1 84656180 YURKAPLOEHCHSN-JTQLQIEISA-N 320.418 3.214 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@@H](C)[C@H]2COc3ccccc32)cc1 95438290 OFOOOTHYRJNLEG-YVEFUNNKSA-N 309.365 3.184 0 40 DGAB CC[C@@H]1CN(C)c2ccccc2CN1C(=O)CCc1ccccn1 88200951 AHLRXDJTVTYDSR-GOSISDBHSA-N 323.440 3.271 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2CC(=O)c2ccccc2)cn1 85490009 ZSCMNWDFXPFULH-SFHVURJKSA-N 322.408 3.197 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)no1 95995197 YYAZZGSYCJPPCC-NSHDSACASA-N 321.343 3.492 0 40 DGAB NC(=O)Nc1cccc(NC2CCN(c3ccccc3)CC2)c1 95983197 ZYOPKRSFOIIWAB-UHFFFAOYSA-N 310.401 3.258 0 40 DGAB COc1ccc([C@@H]2C[C@H](C)CN2Cc2ccc(CO)o2)cc1 95982913 CNWGDKSBDHURGX-UGSOOPFHSA-N 301.386 3.364 0 40 DGAB CCn1nnc2cc(C(=O)Nc3cncc4ccccc34)ccc21 89626895 XFGKIUAJNBEQME-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CN1CC[C@H](SCc2ccccc2OCC(F)(F)F)C1=O 76068574 GWSVUMIWNLRSGO-LBPRGKRZSA-N 319.348 3.092 0 40 DGAB CCOc1ccc2c(c1)C(C)=CC(C)(C)N2C(=O)/C=C/C(=O)O 408735921 YODGXJKWENIGGV-CMDGGOBGSA-N 315.369 3.255 0 40 DGAB COc1ccc(CNc2ccc(CN3CCOCC3)cc2)cc1 120700005 MZKKBCPDPZTCQW-UHFFFAOYSA-N 312.413 3.140 0 40 DGAB Cc1ccccc1NC(=O)C1CCN(C(=O)c2ccccc2)CC1 36171595 GNEZTSDIRHCVET-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB CCc1onc(C)c1C(=O)NC1CCC(C(F)(F)F)CC1 122477993 PETNBCNFCBGUMR-UHFFFAOYSA-N 304.312 3.396 0 40 DGAB CN(Cc1ccnn1C)C(=O)c1cccc(Oc2ccccc2)c1 32609575 ZOJYIQGOZTZNKS-UHFFFAOYSA-N 321.380 3.485 0 40 DGAB CC(=O)N1CCC[C@H]1c1nccnc1-c1ccc(F)c(F)c1 72365106 HMTDRRNTYUEKBG-AWEZNQCLSA-N 303.312 3.105 0 40 DGAB CC(=O)N1CCC[C@H](Cc2ccnc(Cc3ccccc3)c2)C1 72360602 JFIXALGIEOAAHN-LJQANCHMSA-N 308.425 3.473 0 40 DGAB CCc1ccc(CC(=O)NCCCN2CCCCCC2)cc1 225515424 FKUWYSSCESVLDA-UHFFFAOYSA-N 302.462 3.174 0 40 DGAB O=C(COc1ccccc1F)NCCSC1CCCCC1 222774278 PPNOBVDBRVGCDC-UHFFFAOYSA-N 311.422 3.387 0 40 DGAB COCc1cc(Cl)ccc1NC(=O)N[C@]12C[C@H]1COC2(C)C 529124774 SXZLEYHDDLLUMB-MEDUHNTESA-N 324.808 3.175 0 40 DGAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCOC)cc1 225693697 NRFXUFGTNAMRJO-KRWDZBQOSA-N 309.406 3.246 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)Nc1ccccc1OC 225769113 CPZZXMODMNYKCA-HNNXBMFYSA-N 319.449 3.471 0 40 DGAB CCC(=O)N(C)Cc1nc(-c2ccc(C(C)(C)C)cc2)no1 223184927 VVGFABJYNOAFKS-UHFFFAOYSA-N 301.390 3.403 0 40 DGAB O=C(O)COc1c(Cl)cc(Br)c2cccnc12 225393918 ZGSDRKLDIDRTBM-UHFFFAOYSA-N 316.538 3.114 0 40 DGAB CC(C)c1ncsc1C(=O)N1CCCC[C@@H]1c1ccnn1C 333683456 BCIUFNTYUIBLSX-CYBMUJFWSA-N 318.446 3.367 0 40 DGAB CC[C@@H](C)Oc1cc(C(=O)N[C@H](C)c2c(C)noc2C)ccn1 97231476 FLEDSSRCAMJTGE-GHMZBOCLSA-N 317.389 3.355 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)c2cc(C)cs2)nc(C)n1 257263329 LPINWFSFULFNSV-ZDUSSCGKSA-N 316.430 3.174 0 40 DGAB COc1cccc(F)c1CN1CCC[C@H](c2cnccn2)C1 257295975 RAQSTLXDOYJBMW-ZDUSSCGKSA-N 301.365 3.004 0 40 DGAB CN(C(=O)c1cccc([C@H]2CCOC2)c1)C1Cc2ccccc2C1 270494404 UVLKTZYJEFJTBB-IBGZPJMESA-N 321.420 3.430 0 40 DGAB CO[C@H]1CCCN(C(=O)c2ccncc2C)[C@H]1Cc1ccccc1 585278548 UCJNRFDYQUYTOA-OALUTQOASA-N 324.424 3.252 0 40 DGAB COc1ccccc1NC1CCN(C[C@H]2CCCCO2)CC1 85905570 YCOYMRPMALTUJO-MRXNPFEDSA-N 304.434 3.141 0 40 DGAB O=C(Nc1ccc(Cl)cc1Br)[C@H]1CCOC1 95418896 YNPNAISKGSIKBV-ZETCQYMHSA-N 304.571 3.078 0 40 DGAB CCCn1cc(N[C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cn1 95944509 UQRNXKJBMVDHMG-UONOGXRCSA-N 308.426 3.151 0 40 DGAB COc1ccc(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 5029191 OZLYVCLYJVPMOE-FZKQIMNGSA-N 324.380 3.066 0 40 DGAB COc1ccccc1/N=C1/NC(=O)/C(=C/c2ccco2)S1 5662125 MLJFMSJCBXFCIG-LCYFTJDESA-N 300.339 3.180 0 40 DGAB Cc1nc2c(-c3cccs3)c(C)nn2c(NCCCO)c1C 12113370 JPTBDIUDGJDNPH-UHFFFAOYSA-N 316.430 3.177 0 40 DGAB O=C(OCc1csc(-c2ccccn2)n1)c1ccc(O)cc1 12256482 UIYXOMKOJHXLAN-UHFFFAOYSA-N 312.350 3.268 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)NCCc1cccs1 12802281 IVWULSQTVATBFY-UHFFFAOYSA-N 309.818 3.448 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)COc3ccccc3)ccc12 3558466 BUDLHGBQFUDJPX-UHFFFAOYSA-N 309.321 3.119 0 40 DGAB Cc1ccc(O)c(C(=O)c2cnc3nc4ccccc4n3c2)c1 6315074 GCHVXQBAIDCOLD-UHFFFAOYSA-N 303.321 3.128 0 40 DGAB Cc1cn2nc(C(=O)Nc3cc(Cl)ccc3C)ccc2n1 1888906813 FPCWGRCLQDJYKE-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB O=C(NCC1CC1)c1cc2ccccc2cc1NC(=O)C1CC1 22972128 BEXULEKZJKCDCI-UHFFFAOYSA-N 308.381 3.328 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)c2ccccc2Cl)cc1 5121341 RFAZOCJZLBPYFU-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB O=C(CN1CCC[C@H]1c1ccsc1)NCc1cccs1 36393231 ZNMWKTZFDFPMAU-AWEZNQCLSA-N 306.456 3.263 0 40 DGAB CC(C)c1nnc(N2CCC[C@@H](N(C)C(=O)C(C)(C)C)C2)s1 2087131090 RXCSLDYHBYOQMB-GFCCVEGCSA-N 324.494 3.135 0 40 DGAB Cc1ccc(Cc2nnc(Nc3ccc(C)cc3C)[nH]c2=O)cc1 5154386 WRYJAXSUQHSPLB-UHFFFAOYSA-N 320.396 3.425 0 40 DGAB CC(C)Cn1c(CNC(=O)c2ccccn2)nc2ccccc21 40184745 PCBDFZROOJSCSM-UHFFFAOYSA-N 308.385 3.017 0 40 DGAB COc1ccc(OCCS[C@@H](C(N)=O)c2ccccc2)cc1 50249513 IUXYPICQAIRJCL-MRXNPFEDSA-N 317.410 3.034 0 40 DGAB Cc1nc(-c2cc(C)n(CC(=O)NCC3CCC3)c2C)cs1 31438744 JTSWHMQJPWJQSC-UHFFFAOYSA-N 317.458 3.453 0 40 DGAB Cc1ccc(-c2nc(CN3CCC(CN(C)C)CC3)co2)cc1 40543226 IZQXCQCRQXSCCX-UHFFFAOYSA-N 313.445 3.424 0 40 DGAB Cc1csc(CNC(=O)c2cccc(C(F)(F)F)c2)n1 32882223 NUUGNUSFIIDPMF-UHFFFAOYSA-N 300.305 3.400 0 40 DGAB Cc1ccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c(C)c1 22027913 GQFTWGZBOQICMD-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB CC(C)Oc1ccccc1-c1[nH]c(C=O)nc1Br 1857794882 QIEZVLOINFWMDB-UHFFFAOYSA-N 309.163 3.439 0 40 DGAB Cc1nnc(CN[C@@H](C[C@H]2CCOC2)c2ccccc2)s1 97033630 AOYKXYYOCPZOKK-HIFRSBDPSA-N 303.431 3.104 0 40 DGAB Cc1ccccc1NC(=O)c1sc(NC(=O)C2CC2)nc1C 412839 VADCVJMOSZEHJD-UHFFFAOYSA-N 315.398 3.361 0 40 DGAB COc1ccc(-c2noc(-c3cccc(OC)c3OC)n2)cc1 496441 IGVGWCLHRZGTIV-UHFFFAOYSA-N 312.325 3.429 0 40 DGAB Cc1nc(SCC(=O)Nc2ccc(F)cc2)nc2c1CCC2 582774 ZPZWPFRALMWADJ-UHFFFAOYSA-N 317.389 3.144 0 40 DGAB CCN(C(=O)c1ccccc1)c1nnc(-c2ccncc2)s1 1356669 ACPAGKVQVOJDGJ-UHFFFAOYSA-N 310.382 3.267 0 40 DGAB COc1ccc2ccc3c(c2c1)CC[C@@H](C(=O)O)[C@H]3CC(=O)O 1596012 TXKQSMYGJLDMBI-ZBFHGGJFSA-N 314.337 3.054 0 40 DGAB COc1ccc(CC(=O)Nc2cc(F)ccc2F)cc1OC 3611359 XBRBZBDCTPOZLL-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB O=S(=O)(Nc1cccc2c[nH]nc12)c1cccc(Cl)c1 24425211 PQOZDLWBWHSDTO-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB CC(C)c1ccc(NC(=O)C2CCN(c3ncccn3)CC2)cc1 4965894 MSARNVBRUHWOEF-UHFFFAOYSA-N 324.428 3.455 0 40 DGAB FC(F)(F)c1ccc([C@@H]2CN(c3cnccn3)CCO2)cc1 97082701 UMCWOPHEVLCSSE-ZDUSSCGKSA-N 309.291 3.073 0 40 DGAB C[C@]1(CCc2ccccc2)NC(=O)N(Cc2ccccc2)C1=O 7989948 CAXYKZUSCGJMFI-LJQANCHMSA-N 308.381 3.130 0 40 DGAB c1ccc2c(-c3nnc(SC[C@H]4CCCO4)o3)c[nH]c2c1 25254863 UYZLKAHYHURTGC-SNVBAGLBSA-N 301.371 3.489 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(F)cc1)c1ccc(OC)cc1 8517894 VVMAJPVZUMBYOH-MRXNPFEDSA-N 323.389 3.264 0 40 DGAB Cc1ccc(C(=O)N[C@@H](C)c2ccccc2OC(F)F)cn1 25300450 KUTUIZRBNQWCSK-NSHDSACASA-N 306.312 3.482 0 40 DGAB C[C@@H](NC(=O)C=C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 55981015 JLNYLHXVYUDYBD-CYBMUJFWSA-N 321.442 3.158 0 40 DGAB O=C(O)CC[C@H]1CCCN(Cc2ccc(Br)o2)C1 43585483 GEYJSDVVVBOJRW-SNVBAGLBSA-N 316.195 3.119 0 40 DGAB Cc1ccccc1OCCNC(=O)[C@H](C)Oc1ccc(F)cc1 55954320 RYTAJIPHGSILRB-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB c1ccc(Cc2noc(CN(Cc3ccco3)C3CC3)n2)cc1 44974604 QCMJMTTYEQRQFS-UHFFFAOYSA-N 309.369 3.418 0 40 DGAB CC(=O)n1c(C(=O)N[C@H](C)c2ccccc2)nc2ccccc21 28115804 MBDRTLQQGRNTDF-GFCCVEGCSA-N 307.353 3.187 0 40 DGAB CCCCn1c(C)c(C)c(S(=O)(=O)c2ccccc2)c1N 2148052 QHBIRPJCNKCFGS-UHFFFAOYSA-N 306.431 3.320 0 40 DGAB Cc1ccc(CC(=O)NC(C)(C)c2noc(C(C)(C)C)n2)cc1 58342454 OLAGSAPOQBSNFR-UHFFFAOYSA-N 315.417 3.270 0 40 DGAB COc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1F 55526700 HCNVUZPBGIQGRA-UHFFFAOYSA-N 317.360 3.260 0 40 DGAB Cc1nnc2ccc(C(=O)N(C)[C@H]3CCCc4ccccc43)cn12 58413491 SJPYTNPXMFOHBY-KRWDZBQOSA-N 320.396 3.187 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@@H](c2ccn[nH]2)C1 72282758 RZPLVDIEFMGJCH-CYBMUJFWSA-N 315.442 3.370 0 40 DGAB Cc1nc([C@H]2CCCN(C(=O)C[C@@H]3CCCO3)C2)sc1C 72297507 WCDXDZNKDHVBEF-KBPBESRZSA-N 308.447 3.035 0 40 DGAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CC=CCC1 72286050 PSFPJPSRSBWWKP-LBPRGKRZSA-N 317.776 3.363 0 40 DGAB O=C(CCCc1cccs1)N1CCn2c1nc1ccccc12 29374295 XINZTFLWFQVOLL-UHFFFAOYSA-N 311.410 3.467 0 40 DGAB Cc1n[nH]c(SCc2nc(-c3cccc(Cl)c3)no2)n1 11705460 QPYCZDJTQJMDEQ-UHFFFAOYSA-N 307.766 3.109 0 40 DGAB COc1cc(C(=O)NCC2CC2)ccc1OCc1ccccc1 27461260 LAWOWDMCMPVEEC-UHFFFAOYSA-N 311.381 3.414 0 40 DGAB Cc1noc(-c2ccc(NC(=O)COc3ccccc3C)cc2)n1 64580040 JSXWUDZKDJIIGS-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1cc(C(=O)CSc2ccc3c(c2)OCCO3)c(C)n1C 2652332 PQHQQEJRNUKENE-UHFFFAOYSA-N 317.410 3.388 0 40 DGAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ncccn1 2742400 RWIUSRSYMFSJPX-UHFFFAOYSA-N 305.765 3.236 0 40 DGAB COc1cccc(CCCNC(=O)Cc2ccc(F)cc2)c1 66436269 OMFFHLHGKLBBKA-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB Cc1ccnn1-c1cccc(NC(=O)c2ccnc(Cl)c2)c1 48364368 PDKWQLVADXWUHF-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1csc(CN(C[C@@H]2CCCO2)C(=O)c2occc2C)n1 72303183 YSENXICPQDRNSW-ZDUSSCGKSA-N 320.414 3.174 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)cc1O 72301087 RWHITHKKCYVACC-UHFFFAOYSA-N 317.410 3.380 0 40 DGAB CCCOc1cc(CN[C@@H](C)CN2CCCCC2)ccc1OC 97287743 JWSLBCVZPRAFDB-INIZCTEOSA-N 320.477 3.448 0 40 DGAB C[C@@H](CCC[C@@H](C)NCc1cnn(-c2ccccc2)c1)C(=O)O 97212614 DQYYQWNHBZGBTE-LSDHHAIUSA-N 315.417 3.241 0 40 DGAB COc1ccc(CCNC(=O)c2cccc3cccnc23)cc1 14116729 INBWXSJLLMYZRI-UHFFFAOYSA-N 306.365 3.216 0 40 DGAB CCOc1ccc(NC(=O)c2cc(C)nc3onc(C)c23)cc1 14179822 VZLOCSWVEOOKAR-UHFFFAOYSA-N 311.341 3.491 0 40 DGAB O=C(CCn1c(=O)oc2ccccc21)Nc1ccc2c(c1)CCC2 6540201 RFJNAPWUWMZNMS-UHFFFAOYSA-N 322.364 3.112 0 40 DGAB C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(Cl)cc1 5559309 DYUHPHOZLPTTOC-BZNIZROVSA-N 317.772 3.357 0 40 DGAB Cc1ccc(C)c(N[C@H]2CC(=O)N(c3ccccc3F)C2=O)c1 6831543 QDBLDWSPLRLRIZ-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB Cc1cccc(-n2nnnc2SCc2csc(C)n2)c1 7063460 YQJOAFNQFLNEBJ-UHFFFAOYSA-N 303.416 3.028 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 16139085 FQZZKULUICLZOA-HNNXBMFYSA-N 323.348 3.467 0 40 DGAB C[C@H](OC(=O)COc1ccc2c(c1)CCC2)C(=O)c1ccccc1 7990856 OTXMSTVMUFUWLX-AWEZNQCLSA-N 324.376 3.369 0 40 DGAB Cn1cc(CNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)cn1 71896072 YEEITDYGIVJTQL-RYUDHWBXSA-N 324.211 3.147 0 40 DGAB CCc1csc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)n1 69869410 XCXXKDNSJDCPPL-CYBMUJFWSA-N 301.371 3.162 0 40 DGAB Cc1sc(=O)n(CCC(=O)Nc2ccc3c(c2)CCC3)c1C 69974829 DZVAFCIVXVEHSJ-UHFFFAOYSA-N 316.426 3.044 0 40 DGAB O=C(Nc1nccs1)c1ccc(CN2CCCCC2)cc1 9743990 ZOARDMIJKUSZDF-UHFFFAOYSA-N 301.415 3.381 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccccc1F 8917273 KESJGPNCTFBDPQ-INIZCTEOSA-N 323.323 3.497 0 40 DGAB Cc1occc1CNC(=O)c1cnc2c(cnn2C2CCCC2)c1 84044208 URMUFJZLVHXQIJ-UHFFFAOYSA-N 324.384 3.378 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 20141736 GIYXPBYVQZPLQI-UHFFFAOYSA-N 315.325 3.132 0 40 DGAB O=C(NC1CC=CC1)N[C@H]1CCO[C@H]1c1ccc(Cl)cc1 95984105 YSQOXULPIJYLTH-GJZGRUSLSA-N 306.793 3.188 0 40 DGAB COc1ccc2c(c1)C[C@@H](NCCc1csc(C)n1)CC2 95973564 LOWLRDCHQSAMOD-HNNXBMFYSA-N 302.443 3.150 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 95955415 HBKHADMPBPFLRD-UONOGXRCSA-N 301.390 3.406 0 40 DGAB Cc1ccc([C@@H](NC(=O)NC2(CO)CCCC2)C2CC2)cc1 95966411 KUSKFNVAGGTDLV-MRXNPFEDSA-N 302.418 3.050 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2csc3ccccc23)c(=O)[nH]1 75119985 UEEGDKNSBGCKBW-UHFFFAOYSA-N 312.394 3.170 0 40 DGAB CC(C)(C)C1CCC(NC(=O)C(=O)NCc2cccs2)CC1 408710203 RWBQQESBKBUNCR-UHFFFAOYSA-N 322.474 3.085 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccc(C)c3)OC2=O)cc1O 408842939 KNSUJNDNENHRQB-NTEUORMPSA-N 309.321 3.054 0 40 DGAB Cc1cc(C)cc([C@H]2CCCN2C(=O)C(=O)Nc2cccnc2)c1 79350651 KBKJBDDSCDBUID-QGZVFWFLSA-N 323.396 3.001 0 40 DGAB CCC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362203 PPXOXFMQSIQZON-AWEZNQCLSA-N 311.385 3.385 0 40 DGAB CCCNc1nnc(SCc2noc(CC(C)C)n2)s1 31446316 CXETYXASEWKIEV-UHFFFAOYSA-N 313.452 3.234 0 40 DGAB CC1(C)[C@H](C(F)(F)F)CCN1C(=O)CCc1cccnc1 527053795 YXSUXYWBPMVCGU-GFCCVEGCSA-N 300.324 3.204 0 40 DGAB C[C@@H]1Cc2cc(S(=O)(=O)NC3CCCCCCC3)ccc2N1 78404140 JDPPZJORLFPQEX-CYBMUJFWSA-N 322.474 3.434 0 40 DGAB COc1ccc(-c2cc(-c3ccccc3OC)nc(N)n2)cc1 71977348 YFDILCJTXLLSDM-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB Cn1ccc2cc(C(=O)Nc3ccc4c(c3)ncn4C)ccc21 79479555 VEAGPTAFKLQQFO-UHFFFAOYSA-N 304.353 3.317 0 40 DGAB C[C@H](Nc1cc(Cl)nc(N)n1)c1cccc(-n2ccnc2)c1 78570314 VPUABTRFEYRDBK-JTQLQIEISA-N 314.780 3.071 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2c2ccncc2)cc1 72211061 ZNNCNLYIQNGVKB-QGZVFWFLSA-N 316.426 3.306 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)COc2cccc(C)c2)cc1 222755888 JSJHLGMLARSYHX-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB Cc1ccc(Nc2ncnc3c2cnn3C2CCNCC2)cc1C 228922736 BMAGDAZDGFRUKU-UHFFFAOYSA-N 322.416 3.111 0 40 DGAB COCc1nc(C)cc(N2CCCC[C@@H]2CCOC(C)C)n1 88736976 HLVIGFXYUAJHKF-OAHLLOKOSA-N 307.438 3.105 0 40 DGAB O=C(CCc1nc(-c2cccc(Cl)c2)no1)NC1CCCC1 41184779 OSFLWUAWLYVZER-UHFFFAOYSA-N 319.792 3.381 0 40 DGAB COc1cc(OC)cc(C(=O)N(C)Cc2ccccc2F)c1 49929590 XHUOIKCLQXOXOZ-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB CSc1ccccc1COC(=O)c1cnc2c(c1)ncn2C 195567254 XXIGHCYZJWTWBF-UHFFFAOYSA-N 313.382 3.047 0 40 DGAB O=C(O)C1CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1 225466207 KZQDNSJPXONJQF-ROUUACIJSA-N 323.392 3.267 0 40 DGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(C)cc2)c1 223723074 MTJQGAGSVXNOSJ-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB O=C1Nc2ccccc2/C1=C/c1cccc(Br)n1 40282798 RDIKDWRLWAEEET-FLIBITNWSA-N 301.143 3.337 0 40 DGAB CCc1cccc(NC(=O)N[C@@H]2CCC[C@@H]([S@@](=O)CC)C2)c1 195535611 VUBVBYWMSMCYIQ-MCFFVMPBSA-N 322.474 3.450 0 40 DGAB Cc1ccc([C@@H]2CCCN2CCCS(=O)(=O)C(C)C)cc1 96467008 UCLWBJGPRNYOOL-KRWDZBQOSA-N 309.475 3.345 0 40 DGAB COC(=O)c1cc(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)ccc1F 96434169 WEODUYNLGIMIAN-RYUDHWBXSA-N 318.348 3.042 0 40 DGAB CCO[C@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 96241675 ZRJQGKGCUGUYHW-YJBOKZPZSA-N 319.420 3.430 0 40 DGAB CC(C)(C(=O)NCc1cc[nH]n1)c1cccc(C(F)(F)F)c1 96403536 WGLMOGFOKNCSEQ-UHFFFAOYSA-N 311.307 3.023 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)[C@@H]1C[C@H]1c1ccco1 245344202 YBYKPWDGYXBMPF-FVQBIDKESA-N 310.397 3.250 0 40 DGAB c1csc(CN2Cc3ccnn3[C@H](CCOCC3CC3)C2)c1 247835817 NJEZZIDPDRYRFS-MRXNPFEDSA-N 317.458 3.318 0 40 DGAB CC[C@@H](C)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 248215368 FZCHYRPQSNRAQW-KDOFPFPSSA-N 304.409 3.049 0 40 DGAB Cc1ccc(C[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)cn1 257341972 ZMPJCVAFQRJCMN-INIZCTEOSA-N 314.454 3.475 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nccnc2Cl)C1 257212884 CFIKAMCZLGTSPE-NSHDSACASA-N 311.813 3.320 0 40 DGAB Cc1ncc(C(=O)Nc2cnn(CCF)c2)c(Cl)c1Cl 628763927 ITJXKWKTTMAXPC-UHFFFAOYSA-N 317.151 3.115 0 40 DGAB CN(Cc1ccsc1)C(=O)COc1cccc2cccnc12 61083918 OCAYEHIBKSDNST-UHFFFAOYSA-N 312.394 3.334 0 40 DGAB Fc1cc(CN2CCS[C@H]3COCC[C@@H]32)ccc1Cl 91856815 XAPOTEFDGMNPIU-KBPBESRZSA-N 301.814 3.185 0 40 DGAB N[C@H](CC(=O)O)Cc1ccc(C(F)(F)F)cc1C(F)(F)F 1772714736 OJCHACUSRJFHOJ-QMMMGPOBSA-N 315.213 3.069 0 40 DGAB Cc1cc(SCC(=O)Nc2ccc(F)c(Cl)c2)ncn1 12016964 GOMCFHGMOCVPST-UHFFFAOYSA-N 311.769 3.308 0 40 DGAB CC(C(=O)N[C@@H](C)c1ccccc1)C(=O)N[C@H](C)c1ccccc1 13510756 UCNOMWONTGPGPR-MQVJKMGUSA-N 324.424 3.377 0 40 DGAB Cc1nn(C(C)C)c(C)c1CN1CC[C@@H]2NCCCCC[C@H]21 19712056 YDSCAVMMUVQROA-ZWKOTPCHSA-N 304.482 3.187 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cnc2ccsc2c1 581703630 ZZEQXELMNIQNGX-LBPRGKRZSA-N 318.398 3.156 0 40 DGAB CS(=O)(=O)c1ccc(C(=O)OCc2ccc(Cl)cc2)cc1 5620709 XVFVYFNVNOZWGV-UHFFFAOYSA-N 324.785 3.101 0 40 DGAB Cc1ccc(C)c(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 13348613 NODHOJVSTUKOAX-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB O=C(c1ccc2c(c1)CCC2)N1CCN(Cc2ccccc2)CC1 22226817 TXYRQEVCKRTBJU-UHFFFAOYSA-N 320.436 3.133 0 40 DGAB CCOc1ccc(CN(C)C(=O)Nn2cnc3ccccc32)cc1 10402932 UBIZVQBKOUQHFO-UHFFFAOYSA-N 324.384 3.231 0 40 DGAB CN(C(=O)c1cn(-c2ccc(Cl)cc2)nn1)C1CCCCC1 40079953 NELVNGGGOJMXKI-UHFFFAOYSA-N 318.808 3.325 0 40 DGAB COc1ccc(C)cc1CCNC(=O)NCCc1ccccc1 30992498 VIJLXDIXZQUFFR-UHFFFAOYSA-N 312.413 3.088 0 40 DGAB COc1cccc(C2=C[C@H](c3cccs3)n3ncnc3N2)c1 100636853 DNBYUXNTTVIEEW-CQSZACIVSA-N 310.382 3.404 0 40 DGAB Cc1ccc(NC(=O)N(C)C2CC2)cc1NC(=O)N(C)C1CC1 51405319 XGIAIWFBUPHYML-UHFFFAOYSA-N 316.405 3.247 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C(C)C)cc2Cl)CC1 342348 AJJQPMXAMINISO-UHFFFAOYSA-N 309.841 3.076 0 40 DGAB O=C(NCc1csc(Br)c1)[C@@H]1CC=CCC1 32923026 CMZHHEXQJFTASK-SNVBAGLBSA-N 300.221 3.483 0 40 DGAB CC[C@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(N)=O)C1 484042 VLYUWAUOVFWWAM-VIFPVBQESA-N 318.398 3.207 0 40 DGAB COc1ccc(CNC(=O)NCCc2c[nH]c3ccccc23)cc1 488914 YYAJYQPIGQSLEG-UHFFFAOYSA-N 323.396 3.218 0 40 DGAB biogenic COc1cc(C(=O)N[C@@H]2CCCC[C@H]2C)cc(OC)c1OC 711733 NNRJCJLPLJFNIV-DGCLKSJQSA-N 307.390 3.021 0 40 DGAB CC1=NN(C(=O)c2ccc(Cl)c(C)c2)[C@@](O)(C(F)(F)F)C1 802031 HHKPHXPRFAWSIG-LBPRGKRZSA-N 320.698 3.121 0 40 DGAB OC(c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 1395759 DTYZJPZZGIUVTM-UHFFFAOYSA-N 316.364 3.140 0 40 DGAB CC(C)[C@@](O)(C(=O)O/C=C1/CC2CCN1CC2)c1ccccc1 1641850 QFEXWEJQBDXMOT-LYDJUCFBSA-N 315.413 3.031 0 40 DGAB COc1ccc(-c2nc3ccccc3s2)cc1S(=O)(=O)O 1665937 WJENXRHKDSZJIL-UHFFFAOYSA-N 321.379 3.219 0 40 DGAB CCOCc1nnc(NC(=O)[C@@H](CC)c2ccccc2)s1 2191232 DRVUVOBKTFHQMS-LBPRGKRZSA-N 305.403 3.207 0 40 DGAB COc1ccc(OCCOC(=O)c2ccc3ccccc3n2)cc1 3513616 MDQPYZJTFNDVIU-UHFFFAOYSA-N 323.348 3.479 0 40 DGAB O=C(O)c1ccccc1SCC(=O)N1CCc2ccccc21 3887039 LEBUKXMEKYOCML-UHFFFAOYSA-N 313.378 3.066 0 40 DGAB Cc1ccccc1NC(=O)CSc1ccccc1C(=O)O 4134806 FWORAOULMJZZJL-UHFFFAOYSA-N 301.367 3.424 0 40 DGAB COC(=O)c1ccsc1NC(=O)c1ccc2ncsc2c1 4275691 NTJGQNWVOJCFTM-UHFFFAOYSA-N 318.379 3.397 0 40 DGAB CCS(=O)(=O)c1nc2ccccc2n1Cc1ccc(C)cc1 4304840 NGWCIMXNGURQQE-UHFFFAOYSA-N 314.410 3.187 0 40 DGAB O=C(NCc1cccs1)[C@@H]1CC(c2ccc(Cl)cc2)=NO1 4505030 MFGNTVXEYLFAQC-AWEZNQCLSA-N 320.801 3.211 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N[C@@H](C(=O)O)c1ccccc1 5428535 AOGOMDQWMPGWLX-GOSISDBHSA-N 322.364 3.043 0 40 DGAB Cc1ccccc1NC(=O)CSc1nc(-c2ccco2)n[nH]1 5447738 DEOBXPOYFAVPMK-UHFFFAOYSA-N 314.370 3.104 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)COc2ccccc2)c1C 5867162 MJDIKOLKZOTSKY-UHFFFAOYSA-N 301.342 3.070 0 40 DGAB Cc1nc(SCc2cccc(C(=O)O)c2)nc2c1CCC2 5956802 OVXBWRRERAKUHF-UHFFFAOYSA-N 300.383 3.264 0 40 DGAB CC(=O)Nc1ccc(-c2csc(NC(=O)C(C)C)n2)cc1 6544640 RPOCISJFFSMPFI-UHFFFAOYSA-N 303.387 3.363 0 40 DGAB CC(=O)Nc1cccc(NS(=O)(=O)c2ccccc2Cl)c1 6905614 AEWAGDYPIQGIGA-UHFFFAOYSA-N 324.789 3.099 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1 7401476 GHJRMWICSQTXSI-UHFFFAOYSA-N 309.365 3.143 0 40 DGAB COc1ccc(NC(=O)C[C@@H](C)n2nc(C)c(C)c2C)cc1 8714556 DFPLDPZFDFEZQE-LLVKDONJSA-N 301.390 3.407 0 40 DGAB CCOc1cccc2cc(C(=O)N(C)c3ccccc3)c(=O)oc12 11565776 MXKWWIDZTTWUEC-UHFFFAOYSA-N 323.348 3.468 0 40 DGAB CCc1ccc(OCC(=O)Nc2onc3c2CCCC3)cc1 11914326 AAFHDOPUTSIGBJ-UHFFFAOYSA-N 300.358 3.133 0 40 DGAB Cn1cncc1CN(CCc1ccccc1)Cc1ccncc1 12143653 FYSAGZCFYOWMOD-UHFFFAOYSA-N 306.413 3.060 0 40 DGAB CCCCNC(=O)Cn1c(SC(C)C)nc2ccccc21 12542728 RCMVQGTZBJRKIK-UHFFFAOYSA-N 305.447 3.453 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1)C(=O)NCCc1ccccc1 14006932 OGYHZEBOBSHPSV-CYBMUJFWSA-N 303.789 3.466 0 40 DGAB C[C@@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H](C)O1 14118481 DDGPJLZDSPTSDB-MDZRGWNJSA-N 324.424 3.476 0 40 DGAB CC(=O)c1ccccc1NC(=O)CNc1ccc(F)cc1C 15126968 CZQYLVYBTOVTQL-UHFFFAOYSA-N 300.333 3.387 0 40 DGAB O=C(NCc1nnc(-c2cccs2)o1)c1cccc(F)c1F 19292678 CTHWXXBTDNBXSP-UHFFFAOYSA-N 321.308 3.006 0 40 DGAB C[C@@H]1CN(C2CCN(Cc3ccccc3Cl)CC2)C[C@@H](C)O1 20329811 AZDORFUDLGFHJW-HUUCEWRRSA-N 322.880 3.414 0 40 DGAB C[C@@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 20537541 PIRDRYJTRVMREB-GFCCVEGCSA-N 304.390 3.151 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC([C@H](O)c2ccccc2)CC1 23383949 DDVQNEVIJKYPOZ-GOSISDBHSA-N 313.372 3.412 0 40 DGAB Cc1ccsc1C(=O)NC[C@H]1CCN(c2ccccc2)C1 27846501 DSYJPPXTRKRNQX-CQSZACIVSA-N 300.427 3.313 0 40 DGAB COc1ccc([C@@H](Nc2nc(C)cc(C)n2)c2nccn2C)cc1 29431063 YONUHKLQJQGKOP-MRXNPFEDSA-N 323.400 3.037 0 40 DGAB CC[C@@H](CNC(=O)NC1CCCC1)N1CCc2ccccc2C1 31050186 NOAQQSGYKOSLFL-SFHVURJKSA-N 315.461 3.065 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1ccncc1 32405188 BXIXRCPOZKXGFB-NSHDSACASA-N 310.806 3.083 0 40 DGAB Cc1ccc2nc(NC(=O)CCc3cnn(C)c3C)sc2c1 32610477 LNVKFHCLSZACLC-UHFFFAOYSA-N 314.414 3.218 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)SC(F)(F)F)cc1 32913911 JHLKYXKAUZOXMI-SSDOTTSWSA-N 306.309 3.225 0 40 DGAB Cc1ccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2F)cc1C 40095463 KZPLVNSZYVMREO-MRXNPFEDSA-N 320.339 3.437 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cccc3c2ccn3C)cc1 40284227 QYMZWKGDVCYGEM-UHFFFAOYSA-N 308.337 3.217 0 40 DGAB O=C(O)[C@H]1CC(=O)N(CC2CCCCC2)[C@@H]1c1ccccc1 40449016 YLQAJFCYCQEOCJ-DOTOQJQBSA-N 301.386 3.241 0 40 DGAB CCC[C@@]1(C)NC(=O)N(Cc2coc(-c3cccs3)n2)C1=O 40538762 QDUOTLAALANCOZ-OAHLLOKOSA-N 319.386 3.014 0 40 DGAB COc1cccc(CN(C)C(=O)Nc2nnc(C3CC3)s2)c1 43360306 JCUXEIMEUZRCFE-UHFFFAOYSA-N 318.402 3.088 0 40 DGAB O=C(Nc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1 44450092 DIOLHWMIXCYMFM-UHFFFAOYSA-N 321.730 3.052 0 40 DGAB Cc1cc(C)n(-c2ccc(NC(=O)c3ccccn3)cc2F)n1 47409308 RZLFELWETYDIPM-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB COc1ccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)cc1 47454264 GVKRLFYDYCZOTR-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2c2cccs2)C1 48324909 SFPFDTJFKBPYIZ-RBSFLKMASA-N 306.475 3.390 0 40 DGAB COC(=O)c1cccc(NC(=O)Nc2ccc(OC)cc2C)c1 51355864 PWBGBJFDJKUFAH-UHFFFAOYSA-N 314.341 3.434 0 40 DGAB C[C@@H]1CN(C(=O)CNc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 57525213 RFTASZSODBXHOO-NXEZZACHSA-N 317.216 3.041 0 40 DGAB O=C(NCc1ccco1)c1ccccc1SC[C@@H]1CCCO1 58154735 KDLJFEGAIAWVMW-AWEZNQCLSA-N 317.410 3.481 0 40 DGAB C[C@H](NC[C@@H]1CNc2ccnn2C1)c1cccc2ccccc12 58296379 SIVHCJXOISTWKQ-LSDHHAIUSA-N 306.413 3.429 0 40 DGAB CCc1ccc(C(=O)NC(=S)Nc2cccnc2Cl)cc1 59294534 IGUPCXNNXXZUNF-UHFFFAOYSA-N 319.817 3.424 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(NC(=O)NCC(C)C)c(C)c1 69201976 DJQLJHYPKYKNBI-ZDUSSCGKSA-N 305.422 3.301 0 40 DGAB Cc1nc(C2(NC(=O)Nc3ccc(F)cc3F)CCCC2)no1 69453700 XSKKCWJLLNYHLQ-UHFFFAOYSA-N 322.315 3.247 0 40 DGAB COCCOCCCC(=O)N[C@@H]1CCCCc2ccccc21 69515480 GNWXATAXYPPJDB-QGZVFWFLSA-N 305.418 3.014 0 40 DGAB CCN(CC(=O)Nc1c(C)noc1C)Cc1ccc(Cl)cc1 69633030 UKJZOFPSEVZLLR-UHFFFAOYSA-N 321.808 3.405 0 40 DGAB O=C1COc2c(cccc2C(=O)Nc2ccc3sccc3c2)N1 69812786 LPLKXIRPADTSIU-UHFFFAOYSA-N 324.361 3.485 0 40 DGAB O=C(c1csc2c1CCCC2)N1CCC[C@H]1Cn1cccn1 71866321 YINJGVISHFUEGF-ZDUSSCGKSA-N 315.442 3.128 0 40 DGAB COc1ccc(OC)c2c(S[C@@H](C)C(=O)O)cc(C)nc12 72245358 LEFDGFKZUJAJSD-VIFPVBQESA-N 307.371 3.126 0 40 DGAB CN(C(=O)c1cc([C@@H]2CCCN2C)ccn1)C1CCCCC1 72387027 LXBWGPYTBPGOBO-KRWDZBQOSA-N 301.434 3.253 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NCC[C@H](O)C1CC1 77107776 XYTSMYKAEQOSCN-IBGZPJMESA-N 309.409 3.173 0 40 DGAB O=C(NCC[C@@H](O)c1cccc2ccccc12)c1ccccn1 77116283 HBMGJBOHYOODDO-GOSISDBHSA-N 306.365 3.088 0 40 DGAB CC[C@@H](COC)NC(=O)CCc1ccc(C(F)(F)F)cc1 78843211 SGWXAXJYPOZQJO-ZDUSSCGKSA-N 303.324 3.179 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N1CCC[C@H]2CCC[C@H]21 78941697 UCRGWMAGYVGBOK-BXUZGUMPSA-N 305.447 3.495 0 40 DGAB C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccnc1)Sc1ccccc1 81111436 KXHWUTKZIALIFI-KBRIMQKVSA-N 312.438 3.482 0 40 DGAB CC1(C)CN(C(=O)Nc2cccc(-c3ncon3)c2)CCS1 83561105 PDJYRBDBASUZAJ-UHFFFAOYSA-N 318.402 3.096 0 40 DGAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)c2ccon2)CC1 84027105 FTIQUOICXCFNJG-UHFFFAOYSA-N 309.369 3.484 0 40 DGAB Cc1nc(C)n(Cc2cc(Br)cc3cccnc23)n1 84280402 IHKAFQIXHVAFEZ-UHFFFAOYSA-N 317.190 3.254 0 40 DGAB CC(C)C[C@H](OC(=O)c1ccc2nncn2c1)c1ccccn1 84509958 JWAUWZHECMGSDH-HNNXBMFYSA-N 310.357 3.069 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)c1cc(C2CC2)on1 84777466 LGEIDWPZOJSOMH-UHFFFAOYSA-N 300.358 3.223 0 40 DGAB CC(C)COC(=O)[C@H](C)NC(=O)Nc1nc2ccccc2s1 89496809 SDOYGNIEFMXHLT-JTQLQIEISA-N 321.402 3.006 0 40 DGAB Cc1cc([C@@H](C)NC(=O)N2CC[C@H](N3CCCC3)C2)c(C)s1 89582344 NXLSNWPXICPBOX-HIFRSBDPSA-N 321.490 3.306 0 40 DGAB O=C(c1csnn1)N(CCC(F)(F)F)C1CCCCC1 89764787 INTPVVWUGLBPGP-UHFFFAOYSA-N 307.341 3.265 0 40 DGAB Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@@H](c3ccco3)C2)c1 95115890 FBRDIGGTFVJXQV-AEFFLSMTSA-N 324.380 3.445 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)/C=C/c1ccsc1 95956939 PNKBZUFJXKXVGQ-QPJJXVBHSA-N 301.367 3.118 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC1CCSCC1 96479049 BVSOUDSQZHHPBC-QAPCUYQASA-N 304.503 3.382 0 40 DGAB C[C@@H](C(=O)O)[C@H](NC(=O)CCc1ccsc1)c1ccccc1 97018270 QFWSUFHDXSPXNA-WBMJQRKESA-N 317.410 3.259 0 40 DGAB CCc1ccc(C(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)O)o1 97018317 IQWZGEXXVZOOIF-ABAIWWIYSA-N 301.342 3.034 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2ccccc2OCC2CC2)[C@H]1C 97048705 XAGJFPKUURYPAB-STQMWFEESA-N 304.390 3.117 0 40 DGAB O=C([C@H]1CCCO1)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97372163 HICBBJXMQMGBJY-GXTWGEPZSA-N 313.319 3.200 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc2ccccc12 169305902 VIUCACLIKCQYBA-VTUFONIJSA-N 315.372 3.397 0 40 DGAB C[C@@H](NCc1nnc2n1CCCC2)c1cnc2ccsc2c1 183843101 ZVORHMKMBIPYFE-LLVKDONJSA-N 313.430 3.075 0 40 DGAB CO[C@@](C)(CC(C)C)C(=O)Nc1ccc(OCCN(C)C)cc1 225606218 ZBOIYEIJHXGVPV-SFHVURJKSA-N 322.449 3.017 0 40 DGAB O=C1CC2(CCN(C(=O)C3CC3)CC2)Oc2cc(Cl)ccc21 225826570 QYFPXDNJRCXSON-UHFFFAOYSA-N 319.788 3.076 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccccc2OC)cc1N 226267967 WPVJSNBSIUZLJV-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3cccc(C(F)(F)F)c3)C2)n1 257270506 MUMZUHHEVIOOLG-GFCCVEGCSA-N 323.318 3.367 0 40 DGAB CC(=O)Nc1cc(C(=O)NC2CCC3(CC2)CC3)ccc1C 582159444 HUBAPQCCVSGOTM-UHFFFAOYSA-N 300.402 3.406 0 40 DGAB CCS(=O)(=O)c1ccccc1N[C@H](C1CC1)[C@H]1CCCCO1 585091255 BBEZWPLTYSFYDK-NVXWUHKLSA-N 323.458 3.240 0 40 DGAB Cc1cccnc1OCC1CCN(c2cc(C3CC3)ncn2)CC1 585527959 ZAOQDIXWPODEAU-UHFFFAOYSA-N 324.428 3.353 0 40 DGAB CCc1ccc2c(c1)Cc1cccc(c1)CNCCOCCO2 643589597 XZSFQEDVJJOVSF-UHFFFAOYSA-N 311.425 3.338 0 40 DGAB Cc1cccnc1OCC1CCN(c2ncnc(C)c2C)CC1 1775969541 XQZCDTZVSCKYPU-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB COc1ccc([C@@H]2C=C(c3cccs3)Nc3ncnn32)cc1 98102 VMYHYLWBIARDMQ-AWEZNQCLSA-N 310.382 3.404 0 40 DGAB COc1ccc(OC(=O)/C=C/c2ccc(OC)cc2OC)cc1 147520 QOQHVYOCBYIICM-VZUCSPMQSA-N 314.337 3.331 0 40 DGAB COC(=O)c1sccc1OC(=O)C(Cl)=C(Cl)Cl 160002 OKNRHSBFBIMBSO-UHFFFAOYSA-N 315.561 3.326 0 40 DGAB CCOc1ccccc1NC(=O)c1cc(OC)cc(OC)c1 362107 HNSOSDLOSJSTAG-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(Cl)cc2)c(C(=O)O)c1 545715 DMKHOJZGXPIOEK-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CCOC(=O)c1cc2sc(C)cc2n1[C@H](C)C(=O)OCC 1338195 ZENVMJXTRMFQHI-SNVBAGLBSA-N 309.387 3.312 0 40 DGAB CC(C)NC(=O)COC(=O)c1cccc(Oc2ccccc2)c1 3283201 NWBXBPYPEGQRLS-UHFFFAOYSA-N 313.353 3.160 0 40 DGAB COc1ccccc1N[C@H]1CC(=O)N(c2ccc(C)cc2C)C1=O 3324933 FYOMZZMRODOPJW-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB NC(=O)Nc1ccc(C(=O)Nc2ccccc2OC(F)F)cc1 3340382 FCXGDXRMMXCQED-UHFFFAOYSA-N 321.283 3.031 0 40 DGAB Cc1ccccc1-n1ccnc1SCC(=O)NC(C)(C)C 4248611 RHQDZKCEQKRMIO-UHFFFAOYSA-N 303.431 3.188 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1cc(Cl)sc1Cl 4275783 UALQAZIVWPOJSQ-UHFFFAOYSA-N 321.210 3.468 0 40 DGAB Cc1ccc(-c2[nH]ncc2CN(CCO)Cc2ccccc2)cc1 4678984 SIIBSJGPWNEQMR-UHFFFAOYSA-N 321.424 3.380 0 40 DGAB C[C@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1 4814985 HQPITVSNTAFTRM-YOEHRIQHSA-N 318.380 3.307 0 40 DGAB CC(C)NC(=O)Cc1csc2nc(-c3ccc(F)cc3)cn12 5147213 LLBXVDDZOBHTOK-UHFFFAOYSA-N 317.389 3.269 0 40 DGAB COc1cccc(CNC(=O)CCc2c[nH]c3ccccc23)c1 5936587 IBTYCYKABCQFEF-UHFFFAOYSA-N 308.381 3.426 0 40 DGAB Cn1cccc1[C@@H]1Nc2ccccc2C(=O)N1Cc1ccco1 7112798 QZWRVCZKIOCYAR-QGZVFWFLSA-N 307.353 3.385 0 40 DGAB O=C(Cn1cnc2sccc2c1=O)c1ccc2c(c1)CCCC2 7495436 GXOFSNHYCWYHQN-UHFFFAOYSA-N 324.405 3.220 0 40 DGAB Cc1ccc(CC(=O)NCCCn2cnc3ccccc32)cc1 8174686 LFLVVFNKRHHIOH-UHFFFAOYSA-N 307.397 3.094 0 40 DGAB CCc1noc(C)c1C(=O)Nc1cc(C(=O)O)ccc1Cl 8191130 GPHQFLWIGWQENV-UHFFFAOYSA-N 308.721 3.149 0 40 DGAB O=C(O)CCSc1nnc(-c2cccc3ccccc23)o1 8362606 FDMNTXQPAPAJSF-UHFFFAOYSA-N 300.339 3.457 0 40 DGAB Cc1cnc(C(=O)Nc2nc(-c3cccs3)cs2)cn1 8394880 BELNBXUQXBSLTP-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB CCCCC1=NN(C(=O)OC(C)(C)C)[C@@](O)(C(F)(F)F)C1 9660064 XHVSSBRSGMGNPB-LBPRGKRZSA-N 310.316 3.424 0 40 DGAB O=C1CCc2c(OCc3nnc(-c4ccccc4)o3)cccc21 10197992 JYRPISLYDWZNMY-UHFFFAOYSA-N 306.321 3.445 0 40 DGAB CC[C@H](C)NC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 11560331 GDWQXGKCZDYCOU-LBPRGKRZSA-N 324.428 3.347 0 40 DGAB Cc1ccc([C@@H](CNC(=O)c2ccc(F)cc2)N2CCCC2)o1 15860223 BLSOOYFQUGCFJF-MRXNPFEDSA-N 316.376 3.294 0 40 DGAB Cc1ccc(NC(=O)C[C@@H]2Nc3ccccc3OC2=O)c(C)c1 17032096 OOODHVYLGDPCMX-HNNXBMFYSA-N 310.353 3.032 0 40 DGAB Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2C[C@H]1CCCN1C 19219859 CNFMLIPHTBBREQ-GFCCVEGCSA-N 324.346 3.423 0 40 DGAB CCS[C@@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 19765801 XKUNZCVOBRIDNH-SECBINFHSA-N 304.198 3.378 0 40 DGAB CSc1nc(N2CCCC2)c2c3c(sc2n1)CN(C)CC3 20436262 ZUVPDPCLAMMWBO-UHFFFAOYSA-N 320.487 3.001 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@@H](C)c2ccc(C)cc2)cc1 20483886 BVIBZBQABYLUHA-HNNXBMFYSA-N 303.427 3.484 0 40 DGAB CCCc1nnc(NC(=O)Cn2c(C)cc3ccccc32)s1 22746589 CMSRZOPXVIHEAK-UHFFFAOYSA-N 314.414 3.392 0 40 DGAB CC(C)c1ccc(OCC(=O)NCCOc2ccccc2)cc1 23142312 UMBRUZJSVXYRHX-UHFFFAOYSA-N 313.397 3.384 0 40 DGAB O=C(CSc1nc2c3ccccc3ncn2n1)c1ccccc1 24841771 GBIOHCGVUVGPCT-UHFFFAOYSA-N 320.377 3.253 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 24961083 BKMBJFSFOXAHAM-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB COc1ccc([C@@H](NC(=O)CN(C(C)C)C2CC2)C2CC2)cc1 26942872 WEOJRYKWCKNNJU-IBGZPJMESA-N 316.445 3.135 0 40 DGAB CC(C)(C)C(=O)N[C@H](N1CCCCC1)C(Cl)(Cl)Cl 27987804 UZDQWVLWPQGYDU-SECBINFHSA-N 315.672 3.331 0 40 DGAB O=C(/C=C/c1ccccc1)NCCCN1CCc2ccccc21 29520384 QSMBCGOTMXMGDU-VAWYXSNFSA-N 306.409 3.269 0 40 DGAB COCc1c(C(=O)N[C@@H](C)c2ccccn2)oc2ccccc12 29600368 GOKGMQJMILIDJY-LBPRGKRZSA-N 310.353 3.465 0 40 DGAB CC[C@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccccc1 32739818 OEXRYSRGLSLSSJ-GOSISDBHSA-N 321.424 3.400 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)cc1 36635578 QMMJUMAVPDTYHX-INIZCTEOSA-N 312.344 3.132 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N1CCc2sccc2C1 40485196 QBPWQGCNWZVLMK-LLVKDONJSA-N 311.410 3.104 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)NCCC2=CCCCC2)cc1 40526576 WAMIXXJZUDFJOM-UHFFFAOYSA-N 322.430 3.102 0 40 DGAB CC(C)(C)c1ccccc1NC(=O)C(=O)NCc1cccs1 42646706 KBCVQZMRIQMREO-UHFFFAOYSA-N 316.426 3.301 0 40 DGAB COc1ccc(OCC[C@H]2CCCNC2)c(Br)c1 42770176 NYTCDZGWYCOUGV-LLVKDONJSA-N 314.223 3.226 0 40 DGAB C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@]43C=O)[C@H]1CCC2=O 43741605 XRCFMDPVHKVRDJ-RTYCURFASA-N 300.398 3.266 0 40 DGAB O=C(NCCc1ccccc1)Nc1cccc(-c2nnco2)c1 44085499 BIAOWNVOVPCANH-UHFFFAOYSA-N 308.341 3.101 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NCCc2ccco2)cc1 48169093 AZCRLAHOEWGZGF-GFCCVEGCSA-N 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CC(=O)Nc1cc(C(=O)NCCc2cccc(C)c2)ccc1F 60323259 GZZNKQKXWULMHM-UHFFFAOYSA-N 314.360 3.065 0 40 DGAB COc1ccc(Cl)cc1-c1cc(NC(=O)COC(C)C)[nH]n1 65536688 IEMNWQAHGIMMDO-UHFFFAOYSA-N 323.780 3.102 0 40 DGAB CCCCN(CC)C(=O)c1nc(N(CC)CC)ncc1Cl 65542109 BMISUTGOWLHDJL-UHFFFAOYSA-N 312.845 3.238 0 40 DGAB COc1ccc(NC(=O)c2cc3ccccc3oc2=N)cc1OC 67350745 SOPVGQDCJXVZKX-UHFFFAOYSA-N 324.336 3.182 0 40 DGAB CC(C)NC(=O)CSCc1sccc1Br 67995986 PLQORWKEZRTOMH-UHFFFAOYSA-N 308.266 3.268 0 40 DGAB CNC(=O)Nc1ccc(NC(=O)Cc2cc(C)ccc2C)cc1 69385152 GGQPRIAAHXQFBO-UHFFFAOYSA-N 311.385 3.236 0 40 DGAB C[C@H](Cn1cccn1)NCc1coc(-c2ccccc2Cl)n1 69387395 FRFORICHQMHQHN-GFCCVEGCSA-N 316.792 3.370 0 40 DGAB CSCCc1ccc(NC(=O)N[C@H](C)[C@@H]2CCCO2)cc1 69685311 MTHJTJZJUAMKLV-DOMZBBRYSA-N 308.447 3.281 0 40 DGAB Cc1cc(F)ccc1CNC1CCN(Cc2ccncc2)CC1 71792541 YBXJPTXEUNPGQT-UHFFFAOYSA-N 313.420 3.283 0 40 DGAB Cc1cc([C@@H]2CCCCN2C(C)C)cnc1N1CCOCC1 72219360 NSVFESPTSAKIAK-KRWDZBQOSA-N 303.450 3.162 0 40 DGAB CCCCN1CCC[C@@H]1c1cnc(N2CCOCC2)cc1C 72219405 GEVJWNIUWFIIGQ-QGZVFWFLSA-N 303.450 3.164 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@H]2c2ccc(CC)cc2)cc1 72228100 GMIBBJHGJMBNKH-QZTJIDSGSA-N 310.397 3.063 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H](c3nc(C)cs3)C2)cn1 72298675 SDKCKVLWDRFZST-HNNXBMFYSA-N 315.442 3.104 0 40 DGAB CCC(CC)(NC(=O)c1cccc2c1OCCO2)C(F)(F)F 72306381 YGUFVJRGMMXPAD-UHFFFAOYSA-N 317.307 3.309 0 40 DGAB CCC(CC)(CC)NC(=O)Nc1ccccc1CC(=O)N(C)C 76023284 JFSCHLWBZWIRHT-UHFFFAOYSA-N 319.449 3.408 0 40 DGAB CS(=O)(=O)[C@@H]1CCC[C@H](Nc2ccc3ccc(F)cc3n2)C1 78301217 KIQOUZBBJCWVOC-UONOGXRCSA-N 322.405 3.142 0 40 DGAB Fc1ccc2ccc(NCCCOC3CCOCC3)nc2c1 78338950 DDYRWMFQHRYTKP-UHFFFAOYSA-N 304.365 3.372 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)cn1 78935668 YFIFLJAHKUAVNY-OALUTQOASA-N 324.424 3.047 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCSC[C@H]1c1ccc(C)o1 81345991 OUVULWHYQUDGSY-AWEZNQCLSA-N 319.430 3.043 0 40 DGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)CC2CC2)cc1 81423049 KQUQGRGIOTTYFB-UHFFFAOYSA-N 310.353 3.316 0 40 DGAB Cc1nc(C)c(CNc2ccn(CCc3ccncc3)n2)s1 89559251 WEIDVSZYFBFWPG-UHFFFAOYSA-N 313.430 3.206 0 40 DGAB C[C@H](NC[C@@H]1C[C@H](C)N(Cc2ccccc2)C1)c1cnccn1 90708721 WNVDXZJNJBPBAO-BQFCYCMXSA-N 310.445 3.038 0 40 DGAB CC1(C)C[C@H](NCc2ccc(Cn3ccnc3)cc2)C(C)(C)O1 95420165 ZKJRDJNNLWKQFL-KRWDZBQOSA-N 313.445 3.367 0 40 DGAB C[C@@H](C[C@@H](O)c1cccs1)NCc1nc2ccccc2n1C 95448909 HSFGKEDTYJPKKN-SWLSCSKDSA-N 315.442 3.237 0 40 DGAB Cc1c(CSC(C)C)cccc1NC(=O)N(C)[C@H](C)CO 95454992 ZPRLOQXPQPUNDQ-GFCCVEGCSA-N 310.463 3.481 0 40 DGAB Cn1ccc2ccc(C(=O)N[C@H]3COC4(CCCCC4)C3)cc21 95511917 SWYSOQYZECARKV-MRXNPFEDSA-N 312.413 3.400 0 40 DGAB N[C@@H](c1ccc(F)cc1)c1n[nH]c(-c2ccccc2Cl)n1 95533305 FAERXYISUOOTEH-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB Cc1cc(C)n(-c2ccc(CCN[C@H](C)c3cnccn3)cc2)n1 95967309 UHAVRUVMICTWHA-MRXNPFEDSA-N 321.428 3.172 0 40 DGAB Fc1cccc(CN2C[C@@H]3CN(Cc4ccsc4)C[C@H]3C2)c1 96053857 HOBCYVPQUSKGDG-IAGOWNOFSA-N 316.445 3.451 0 40 DGAB CC(C)CN1C(=O)[C@]2(CCN(Cc3ccoc3)C2)c2ccccc21 96100297 LZQLLFRNPORNGT-FQEVSTJZSA-N 324.424 3.426 0 40 DGAB c1cc(CO[C@H]2COC3(CCN(CC4CCC4)CC3)C2)ccn1 96106858 CJVBHSZOGROLEA-GOSISDBHSA-N 316.445 3.022 0 40 DGAB C[C@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc2NC1=O 96418499 DYKPNCWCIJXLHO-JTQLQIEISA-N 316.307 3.200 0 40 DGAB Cc1nnc(SCC[C@@H]2CCOC2=O)n1[C@H]1CCC[C@@H](C)C1 96485311 BEPQOCZPHIDQKG-XBFCOCLRSA-N 323.462 3.383 0 40 DGAB Fc1cc(F)cc(CNCc2c[nH]nc2-c2cccnc2)c1 97125320 FGPBTRSSKMDPHY-UHFFFAOYSA-N 300.312 3.040 0 40 DGAB CC[C@H](C)N(C)C(=O)c1cnc2c(cnn2Cc2ccccc2)c1 97175708 LVRNOJSPFQXPGM-AWEZNQCLSA-N 322.412 3.350 0 40 DGAB CCc1nc(CN2CC[C@H](CNc3ccccn3)C2)cs1 97200655 BIXIFDQYAQMDAI-CYBMUJFWSA-N 302.447 3.035 0 40 DGAB CC[C@H](NC(=O)N1CCCC[C@H]1c1cn[nH]c1)c1nccs1 97234484 HBWQPORVXBUWHS-STQMWFEESA-N 319.434 3.254 0 40 DGAB Cc1cc(Cl)c(NC(=O)N[C@H](C)C[S@](C)=O)cc1Cl 97372531 VLYIBGRVJRFPIQ-LILOVNGRSA-N 323.245 3.190 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)c(C)c1 100510390 QBBAWFDMPDVLTB-VGWMRTNUSA-N 307.393 3.313 0 40 DGAB CC(C)(CNC(=O)N1C[C@H]2[C@H](C1)C2(C)C)CC1CCOCC1 101672411 ICPXFVVWVPAMIP-GJZGRUSLSA-N 308.466 3.127 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2ccccc2Cl)C1 108150826 OUVCBMMAGZVMOX-AWEZNQCLSA-N 308.853 3.467 0 40 DGAB c1ccc(CN2C[C@@H]3[C@@H](CC[C@H]3NCc3cscn3)C2)cc1 108464607 JJFLPMDGVBKHKC-CGTJXYLNSA-N 313.470 3.143 0 40 DGAB CCc1c(NC(=O)c2cc(C)no2)cnn1-c1cccc(C)c1 192152381 CHCTUADRBNJZKS-UHFFFAOYSA-N 310.357 3.292 0 40 DGAB CC(C)[C@H]1CN(C(=O)N[C@H](C)CC[C@H]2CCCO2)CCS1 195531327 PWCDWQLLPVAREC-RBSFLKMASA-N 314.495 3.117 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@H](C)Nc1cnn(CC(F)F)c1 195563531 XSRBNOWDNYEVGH-GFCCVEGCSA-N 322.359 3.204 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC1CCCC1 223807162 UFLXFYPPYMKAIY-OAHLLOKOSA-N 316.445 3.181 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)NC1CCCC1 224153401 OATFZBTYCMTDFK-QGZVFWFLSA-N 316.445 3.263 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](CC)C(=O)NCC(C)C 224629185 JCQACRDGBXJMJM-QGZVFWFLSA-N 318.461 3.284 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2ncccc2OC)cc1 225467585 CVGKQCGNTUDVII-NSHDSACASA-N 317.414 3.146 0 40 DGAB COC1(CNC(=O)/C=C/c2ccsc2)Cc2ccccc2C1 225720196 OFMFYQXAYJGFBO-VOTSOKGWSA-N 313.422 3.062 0 40 DGAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Nc1ccnnc1 573089433 ILBZTCDYLLPDOH-KRWDZBQOSA-N 314.364 3.245 0 40 DGAB CSCC[C@@H](C(=O)NC[C@@H]1C[C@H]2C=C[C@H]1C2)n1cccc1 575443986 IVPUKVLRZJEFOW-VGWMRTNUSA-N 304.459 3.111 0 40 DGAB O=C(O)[C@H](c1cccc(Cl)c1)N1CC[C@@H](c2cccnc2)C1 579721731 BQHNNCWRVNYTEY-ZBFHGGJFSA-N 316.788 3.350 0 40 DGAB CO[C@H]1CCCN(C(=O)NCC(C)(C)Oc2ccccc2)CC1 584908522 UGOYANSTBXHZMN-HNNXBMFYSA-N 320.433 3.055 0 40 DGAB C[C@H](c1ccccc1)N1C(=O)C[C@H]2[C@@H]1CCN2Cc1cccnc1 1565550939 KDBHRXRJJXBDJK-MNEFBYGVSA-N 321.424 3.018 0 40 DGAB O=S(=O)(c1ccccc1)N1[C@H]2CC[C@H]1CC(=CC1CC1)C2 1775973913 PLOLYIXPJFNNBU-HOTGVXAUSA-N 303.427 3.339 0 40 DGAB Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=O)cc1F 1889108035 GCABHDZOOPVOLD-UHFFFAOYSA-N 318.325 3.073 0 40 DGAB O=C(CSc1nc2ccccc2s1)Nc1nccs1 40539 AURWHTRSUCBFRC-UHFFFAOYSA-N 307.425 3.484 0 40 DGAB aggregator COc1ccc(C(=O)n2c(=S)nc3ccc(Cl)cn32)cc1 89916 ODLXJTWMKJYDPG-UHFFFAOYSA-N 319.773 3.216 0 40 DGAB c1ccc2c3c([nH]c2c1)[C@H]1[C@@H]2CC[C@@H]([C@H]4CCCN[C@H]42)N1CC3 338156 SBGPASZOVGSOFJ-RVZUANDWSA-N 307.441 3.228 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCC[C@@H](C)C2)c(C)cc1C 384603 IEASPJAVZYLVFF-GFCCVEGCSA-N 311.447 3.123 0 40 DGAB Cc1ccc(C(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1C 568610 ZQYABMQFFDLSOL-UHFFFAOYSA-N 314.410 3.205 0 40 DGAB CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)OC)OCC3 1420680 CRRWJZHQYUTACF-SFHVURJKSA-N 301.386 3.471 0 40 DGAB in-vitro O=C(COC(=O)c1cccc(Cl)c1)Nc1ccc(F)cc1 1993760 OXPLUNHNTSPONJ-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB O=C(CSc1nccn1-c1cccc(F)c1)NC1CCCC1 5174653 QTIWAWCGECVAHC-UHFFFAOYSA-N 319.405 3.162 0 40 DGAB Cc1ccc(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1 7405620 RANIBGTVALPMLF-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB Cc1ccccc1NC(=O)c1ccc(=O)n(Cc2ccccc2)c1 7573711 YNTWWVYIRXQCRI-UHFFFAOYSA-N 318.376 3.457 0 40 DGAB O=C(Cc1ccccc1F)Nc1ccc(N2CCCC2=O)cc1 7612524 LAPMFYSGIQWYKK-UHFFFAOYSA-N 312.344 3.134 0 40 DGAB COc1ccc(CC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 8881834 VINOPMQHFOCFHZ-UHFFFAOYSA-N 324.384 3.202 0 40 DGAB Cc1sc2nc(-c3cccnc3)nc(NC[C@H](C)O)c2c1C 9387335 PXEIUAQSNUBBFF-VIFPVBQESA-N 314.414 3.163 0 40 DGAB Cc1ccc(N2CCn3c(SCc4ccccn4)nnc32)cc1 9651764 RFEWJIOIAVBECJ-UHFFFAOYSA-N 323.425 3.426 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)Nc1nc2ccccc2s1 11008800 MDELLARNVZMBPP-UHFFFAOYSA-N 301.375 3.291 0 40 DGAB CSc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1 12039233 VAVNBRUVFDYWPA-UHFFFAOYSA-N 320.439 3.229 0 40 DGAB CCCc1ccc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)cc1 12170213 WZKBTNVVFFZMCN-JFIYKMOQSA-N 305.462 3.357 0 40 DGAB Cc1cccc(Cc2cnc(NC(=O)c3cnccn3)s2)c1 12621746 LYDSGPOGLHFRLM-UHFFFAOYSA-N 310.382 3.085 0 40 DGAB Nc1nc2n(n1)[C@H](c1ccccc1)C[C@@H](c1ccc(F)cc1)N2 13131379 IPTAKXBCVHXFHW-GJZGRUSLSA-N 309.348 3.146 0 40 DGAB aggregator CN(C)C(=O)c1cccc(NC(=O)c2cccc(Cl)c2)c1 13626828 CRATVPBUNLZRQV-UHFFFAOYSA-N 302.761 3.294 0 40 DGAB CCOc1ccc(CNC(=O)/C=C/c2ccc(OC)cc2)cc1 13671522 ISWZZNMSRDDRBL-MDWZMJQESA-N 311.381 3.424 0 40 DGAB COc1cccc(C(=O)Nc2cc([C@@H](C)O)ccc2OC)c1 13957409 BAGXIPVOKJLZDL-LLVKDONJSA-N 301.342 3.009 0 40 DGAB CCCCS(=O)(=O)Nc1cccc(Cn2nc(C)cc2C)c1 14232883 WLRVCIUBNCWCAZ-UHFFFAOYSA-N 321.446 3.090 0 40 DGAB CCN(C(=O)COc1ccc2ccc(=O)oc2c1)C1=CCCC1 15554446 NEUNJPLPEFEVMP-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB O=[N+]([O-])N(Cl)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2 16137580 AVRGXCCHOWRYSY-BQKDNTBBSA-N 309.591 3.120 0 40 DGAB CCOCCOc1ccc(C(=O)Nc2cccc(N)c2C)cc1 19736748 KBTSVHPZTMPDMZ-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB Cc1cc(C)c2oc(-c3cc(NC(N)=S)ccc3O)nc2c1 20154592 NEMNNSZFGHXSJR-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccc(Br)s2)on1 24396822 SIYOBDUUFGEMIO-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB Cc1cn2nc(NCCCN(C)c3ccccc3)sc2n1 26693888 OEPJOIKTLORJRU-UHFFFAOYSA-N 301.419 3.038 0 40 DGAB CC(C)C[C@](O)(CCN1CCOCC1)c1ccc(Cl)cc1 27346190 CUKMDWHAYHTKHO-QGZVFWFLSA-N 311.853 3.296 0 40 DGAB COc1ccc2c(CC(=O)N3CCn4cccc4[C@@H]3C)coc2c1 30796575 ZTOLWAUUGSLJMC-ZDUSSCGKSA-N 324.380 3.389 0 40 DGAB Cc1ccc(CNC(=O)[C@H](C)Cn2nc(C)c(Cl)c2C)o1 32611200 ZWLANMZJNBDHJU-SECBINFHSA-N 309.797 3.007 0 40 DGAB O[C@@H](CNCc1cc(Br)cs1)c1ccccc1 35112778 JRMJXVNBFWVVCO-ZDUSSCGKSA-N 312.232 3.334 0 40 DGAB CCOCc1ccccc1CNC(=O)c1cc(F)cc(F)c1 40072072 DMONBXPOKKVQQX-UHFFFAOYSA-N 305.324 3.431 0 40 DGAB COc1cccc(NC(=O)CCCc2nc(C(C)C)no2)c1 40515638 NDUHKIILVSVYTM-UHFFFAOYSA-N 303.362 3.163 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CCCN(C(=O)C2CCCCC2)C1 41058383 AEKDQRBMNIGAFX-MRXNPFEDSA-N 320.477 3.254 0 40 DGAB Cc1ccc(-n2nc(C)c(CC(=O)NC3CC3)c2C)cc1Cl 42199611 CFFQEGCXWVDVAB-UHFFFAOYSA-N 317.820 3.272 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1c1nc2ccccc2[nH]1 44890444 AAHCGHQFFLEBMP-MRXNPFEDSA-N 324.384 3.074 0 40 DGAB CC1(C)Cc2cccc(OC3CCN(C(=O)C4CC4)CC3)c2O1 46805073 IEKWGNKJIUAXKT-UHFFFAOYSA-N 315.413 3.180 0 40 DGAB CCCNC(=O)C1CCN(Cc2csc(C(C)(C)C)n2)CC1 48056830 SBJBNUCECCLRQL-UHFFFAOYSA-N 323.506 3.179 0 40 DGAB CSc1ccc(CN(C)c2cncc(-n3cccn3)n2)cc1 48355511 ZDLLZYPANPJLIO-UHFFFAOYSA-N 311.414 3.021 0 40 DGAB CCOc1cccc(CNC(=O)c2ccc(OC)c(F)c2)c1 48373835 LZVXSQOLEAIRPV-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB C[C@]1(C(=O)NCc2cccc3cccnc23)CC1(Cl)Cl 49465832 GBWZSWWIAVZVQS-CQSZACIVSA-N 309.196 3.435 0 40 DGAB O=C(O)CC[C@H]1CCCCN1C(=O)c1ccc(Cl)cc1F 50921378 FQUOQZKJTPDKDN-LLVKDONJSA-N 313.756 3.339 0 40 DGAB O=C(Nc1nccs1)N1CCO[C@H](c2ccc(Cl)cc2)C1 52460341 VCMQJULLDRUTBK-LBPRGKRZSA-N 323.805 3.402 0 40 DGAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@H]32)oc2ccc(F)cc12 53378761 KORBOTRPQDCTKX-UKRRQHHQSA-N 303.333 3.274 0 40 DGAB O=C(C=C(C1CC1)C1CC1)NCc1ccc(-n2cccn2)cc1 55360331 VUANTSFOQPIWMK-UHFFFAOYSA-N 307.397 3.235 0 40 DGAB Cc1ccc(C)c([C@@H](C)NCc2nnnn2-c2ccccc2)c1 58049473 YOEOCUUPIAHAFU-OAHLLOKOSA-N 307.401 3.130 0 40 DGAB CCOC(=O)c1cnn(CC(=O)c2ccc(C)cc2)c1C(F)F 65536071 QFRXGVHVXKGOSX-UHFFFAOYSA-N 322.311 3.189 0 40 DGAB CCOC(=O)c1ccoc1CN1CCC[C@H](C(F)(F)F)C1 65550081 YQYFMBVVTUUNPX-JTQLQIEISA-N 305.296 3.231 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](n3cccn3)C2)c(C)n1C1CC1 69348397 OGGJKIAGGCPMPL-INIZCTEOSA-N 312.417 3.114 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@@H](n2cccn2)C1 69350225 CYOCHVFMEBYXGZ-OAHLLOKOSA-N 322.368 3.015 0 40 DGAB COc1cccc(CN[C@H](C)[C@@H](C)n2cccn2)c1OC(C)C 69368897 RCSSSUHYGBSBJY-HUUCEWRRSA-N 317.433 3.418 0 40 DGAB Cc1cccc([C@H]2C[C@H]2C(=O)Nc2cccc(C(N)=O)c2C)c1 69419097 KDOPLXZKVFMMDI-HZPDHXFCSA-N 308.381 3.145 0 40 DGAB Cc1noc(C)c1Cc1nn2c(-c3ccccc3)nnc2s1 71281222 CLZFQYSKXQLWED-UHFFFAOYSA-N 311.370 3.048 0 40 DGAB CSc1cc2c(cc1NC(=O)N1CCC(C)CC1)OCCO2 71853986 FIIZMQWTBUPGJR-UHFFFAOYSA-N 322.430 3.444 0 40 DGAB CCc1ccc([C@@H]2[C@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227986 BNBGCMKLKWBJOL-JKSUJKDBSA-N 300.789 3.318 0 40 DGAB Cc1cc(N[C@H](C)Cc2c(C)noc2C)nc(-c2ccncc2)n1 77991102 HWJHWRCDLWUTOL-LLVKDONJSA-N 323.400 3.495 0 40 DGAB C[C@@H]1CN(C(=O)CCc2cccnc2)[C@@H](c2ccccc2)CO1 84705573 AHTZXCGHKPAJDH-CRAIPNDOSA-N 310.397 3.003 0 40 DGAB CC[C@@H](C)C(=O)COc1ccccc1I 87537042 XGTPRSIOVTXIFY-SECBINFHSA-N 318.154 3.285 0 40 DGAB Cc1noc(-c2cccnc2NCc2cn3c(C)cccc3n2)n1 89689094 SBLGTKFNDUAOKX-UHFFFAOYSA-N 320.356 3.008 0 40 DGAB O=C(Cc1ccc(O)cc1Cl)N1CCC[C@H]1c1ccncc1 89769905 UKLFUGCXEAPVJE-INIZCTEOSA-N 316.788 3.347 0 40 DGAB COc1ccc2cccc(CC(=O)NCCC(F)(F)F)c2c1 95436087 LOWMJDVITXHNKM-UHFFFAOYSA-N 311.303 3.460 0 40 DGAB C[C@H]1CN(C(=O)/C=C/c2ccc(F)cc2)c2ccccc2C(=O)N1 95458311 KQLRRPLWXHJKJV-YKWSONSWSA-N 324.355 3.004 0 40 DGAB CC(C)C1CCC(NC[C@H](Cc2ccc(F)cc2)C(N)=O)CC1 95464343 KZMVZUZZPIGBQY-PQUAAJSLSA-N 320.452 3.274 0 40 DGAB CC[C@@H](C)Oc1cc(C(=O)N(C(C)C)C2CCOCC2)ccn1 95991111 GVKRSOOEFYXSRA-CQSZACIVSA-N 320.433 3.289 0 40 DGAB COC[C@H]1c2c(cnn2CC2CC2)CCN1Cc1ccsc1 96068207 DSFPKVYEMQHWOZ-INIZCTEOSA-N 317.458 3.100 0 40 DGAB O=C(C1=CCCCC1)N1CCC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107264 KTFJWDJYBYSIQN-MJGOQNOKSA-N 319.445 3.064 0 40 DGAB CCCn1ccc2ccc(NC(=O)N3CCC[C@H]3CO)cc21 96435097 NLIPMQCQESYXRM-HNNXBMFYSA-N 301.390 3.040 0 40 DGAB COC(C)(C)C[C@@H](C)NC1CCN(c2nc(C)cs2)CC1 96478577 PNHDSVUSAKCWNG-GFCCVEGCSA-N 311.495 3.214 0 40 DGAB COC(=O)c1ccc2nc(Cl)c(Br)cc2c1 96517575 UVHMBVMHCLEPLW-UHFFFAOYSA-N 300.539 3.437 0 40 DGAB COc1cc(C)c(S(=O)(=O)NC2CCCCCC2)c(C)c1 96659011 FYBVDKBNNLKIBI-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB COc1cccc([C@H](OC(=O)c2ccncc2)c2ccncc2)c1 97082770 LCQKNIAYYXEIOB-GOSISDBHSA-N 320.348 3.432 0 40 DGAB COc1ccnc(COC(=O)c2nc(C)oc2-c2ccccc2)c1 97135175 JTEUZTDGCFZNPS-UHFFFAOYSA-N 324.336 3.411 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)c3ccc(C)c(N)c3)C2)cc1 97228894 CXWHKLSVUUHUMV-MRXNPFEDSA-N 310.397 3.216 0 40 DGAB C[C@H](c1ccco1)N(C(=O)Cc1cccc(C(=O)O)c1)C1CC1 97231589 QJWQJMYZKVWICV-GFCCVEGCSA-N 313.353 3.273 0 40 DGAB CC(=O)NC1C[C@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(C)c1 100426163 OBDKWGNBNXRSAF-IAGOWNOFSA-N 315.417 3.049 0 40 DGAB CCCCn1c(C)c(C)c2c(=N)n(Cc3ccncc3)cnc21 101469797 UVTNNJPLVUDHDH-UHFFFAOYSA-N 309.417 3.178 0 40 DGAB O=C(c1ccc(-c2nc(C3CC3)no2)cc1)N1C[C@H]2CC[C@H]1C2 101502674 WFXAPBFZDGZVSW-NHYWBVRUSA-N 309.369 3.239 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 102445125 YYAJZBDJQVJNEZ-MELADBBJSA-N 316.401 3.418 0 40 DGAB O=C(N[C@H]1C[C@@H]2CC[C@@H]1O2)c1cc(C2CC2)nc2ccccc12 102682238 OAGYRBYGLGLDJP-IGNZVWTISA-N 308.381 3.162 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 106839228 AMHHVHIJJMTZAR-UPJWGTAASA-N 322.371 3.318 0 40 DGAB CC[C@H](Oc1ccc(C)cc1)C(=O)NCCOc1ccccc1 224618356 POJDHKKEGZFBFT-SFHVURJKSA-N 313.397 3.348 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc2cc(F)ccc2[nH]1 237939004 UNKZLQZGJATSAL-ZDUSSCGKSA-N 318.348 3.167 0 40 DGAB 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@]2(C)O 238736950 BFCTXQRHIFIDPO-PIMHNNBISA-N 322.489 3.112 0 40 DGAB O=C(N[C@H]1CC[C@@H](Cc2ccccc2)C1)N[C@H]1CC[C@H](O)CC1 249008912 WLQBYQKDOGQGKL-XSLAGTTESA-N 316.445 3.001 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)C[C@H](CC(=O)O)c2ccccc2)C1 252515315 IJDRUHJABQUVLE-IJEWVQPXSA-N 303.402 3.140 0 40 DGAB O=C1CCC[C@]2(CN(CC3CCC3)C[C@H]2c2ccccc2F)N1 257230526 GCSQGQGIGGATSB-QFBILLFUSA-N 316.420 3.064 0 40 DGAB c1c[nH]c(-c2cnc(C[C@@H]3CCN(C4CCCCC4)C3)cn2)n1 257280109 OJMCKIQIANXAEX-AWEZNQCLSA-N 311.433 3.064 0 40 DGAB CC[C@@H](C)[C@H](OC)C(=O)Nc1ccc(Br)c(C)n1 331194670 YHWAQLTZBNTICX-PELKAZGASA-N 315.211 3.152 0 40 DGAB COC(=O)CCCC(=O)c1ccc(OC)c(C(F)(F)F)c1 575360054 CAUJTUUHGDFBNM-UHFFFAOYSA-N 304.264 3.240 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2cccs2)o1)c1ccoc1 1775967010 BGTQSCRCTLNOFX-NSHDSACASA-N 303.339 3.065 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(c3nc(C)cc(C)n3)C2)ccn1 1775972060 BQQWLUDLULYNBL-MRXNPFEDSA-N 312.417 3.092 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)c(C)c1 260490 KKIDXXOCDCROHG-MRXNPFEDSA-N 318.417 3.499 0 40 DGAB Cc1ccccc1C(=O)N[C@@H](NC(C)C)C(Cl)(Cl)Cl 19315711 HWDYSSXOAMXZNK-GFCCVEGCSA-N 323.651 3.419 0 40 DGAB Nc1cc(N)nc(SCc2c(Cl)cccc2Cl)n1 287606 SPCMOCTWQYVGQL-UHFFFAOYSA-N 301.202 3.240 0 40 DGAB Cc1nc(COC(=O)c2sc(C3CCCC3)nc2C)no1 76914332 YKODVZPRHQYMHP-UHFFFAOYSA-N 307.375 3.158 0 40 DGAB Cc1cccc(C(=O)Nc2ccc(Br)cn2)c1O 12462947 YLXLTRQQADUWTE-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(OC(F)(F)F)cc1)c1cccnc1 47751637 OKADMENFHPUXFA-LLVKDONJSA-N 324.302 3.400 0 40 DGAB Cc1n[nH]cc1CNC[C@H](C)Oc1ccccc1Br 79014953 MQLASMJYJVGHDL-JTQLQIEISA-N 324.222 3.038 0 40 DGAB CCCCCC(=O)NC(=S)Nc1ccc(C(=O)OCC)cc1 2052181 SZTRUBOHBWLZPQ-UHFFFAOYSA-N 322.430 3.257 0 40 DGAB Fc1ccc(COc2ccc(-n3cnnn3)cc2)c(Cl)c1 3322334 XBZIZKJMGJOZBC-UHFFFAOYSA-N 304.712 3.034 0 40 DGAB O=C(O)c1ccc(CSc2n[nH]c(-c3ccco3)n2)cc1 4278155 LIYZIZRMJOSGGE-UHFFFAOYSA-N 301.327 3.055 0 40 DGAB CCCCC[C@H](C)NC(=O)CCCC(=O)Nc1ccccn1 4678128 QSCLZXKQDQWDPT-AWEZNQCLSA-N 305.422 3.275 0 40 DGAB COc1ccc(CN(C)CC(=O)Nc2ccc(F)c(F)c2)cc1 7653082 ZVQCHZLVKYSRQH-UHFFFAOYSA-N 320.339 3.044 0 40 DGAB COc1ccc(O[C@H](C)C(=O)Nc2nc(C3CC3)cs2)cc1 26052082 SHWMEJRLGHSOGX-SNVBAGLBSA-N 318.398 3.435 0 40 DGAB O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccccc1 3239698 HLVZJFDEYNOFRD-UHFFFAOYSA-N 306.264 3.328 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(F)c2)C1=O 101276520 DGXCMXVLGMRYIU-INIZCTEOSA-N 312.344 3.132 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)no1 44474519 NMNSMBHBEXEQGQ-HNNXBMFYSA-N 316.405 3.220 0 40 DGAB Cc1nn(-c2ccccc2)c(Cl)c1/C=C/C(=O)NCC1CC1 27466488 PVGBIFJWCBKQPC-MDZDMXLPSA-N 315.804 3.374 0 40 DGAB COCc1ccccc1C(=O)NC[C@]1(N(C)C)CCC[C@@H](C)C1 58155496 COQFDLHSDABPOK-BEFAXECRSA-N 318.461 3.073 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C2CCC(C)CC2)C2CC2)cs1 58329717 LKMVGOQZHSYELP-UHFFFAOYSA-N 321.446 3.285 0 40 DGAB COc1cc(OC)cc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)c1 58538200 NYYOITFRFBXMQK-IBGZPJMESA-N 324.380 3.401 0 40 DGAB Clc1ccc(OCCCn2nnc(-c3ccccc3)n2)cc1 58031963 FOCQNMGQEKGCFR-UHFFFAOYSA-N 314.776 3.463 0 40 DGAB CCCN(Cc1ccccc1)C(=O)c1ccc2c(c1)nnn2C 103732811 MIUGDQOAEPQDJX-UHFFFAOYSA-N 308.385 3.021 0 40 DGAB O=C1CCCN1C(=O)CSc1nc(-c2ccccc2)cs1 3379965 WOJYGVPSLLUMDV-UHFFFAOYSA-N 318.423 3.051 0 40 DGAB COc1ccc(Cl)cc1CN[C@H]1CCCc2c1cnn2C 37996999 FJCCKTYXGKVHRY-AWEZNQCLSA-N 305.809 3.249 0 40 DGAB COCCNc1ncnc2scc(-c3ccc(OC)cc3)c12 2653152 HKSYUPGRFJUOPZ-UHFFFAOYSA-N 315.398 3.425 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCc1ccc(F)cc1 113960358 UFMLRMYHXLWMSF-HNNXBMFYSA-N 317.360 3.308 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3ccccc23)C1 13095827 RWSWIEBZKVCNAY-BETUJISGSA-N 315.442 3.226 0 40 DGAB CN1CCC(CNC(=O)Nc2ccccc2C(F)(F)F)CC1 38573014 HOZGSZSSGCQFCT-UHFFFAOYSA-N 315.339 3.169 0 40 DGAB CC(=O)Nc1cc(NC(=O)[C@@]2(C)CC2(Cl)Cl)ccc1C 48905232 MMABESLEGNSKFR-CYBMUJFWSA-N 315.200 3.476 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2cccs2)c1 49121647 AKMMPISUOSJRTQ-GFCCVEGCSA-N 316.426 3.206 0 40 DGAB CS(=O)(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1 49336062 IREPQUQHSUQFAX-LBPRGKRZSA-N 301.820 3.040 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cccc(NC(C)=O)c1 14020149 GQZKSYQFFIIBSY-LBPRGKRZSA-N 312.369 3.145 0 40 DGAB CCc1cc2c3c(c1)C1(OCCO1)C(=O)N3C(C)(C)C[C@@H]2C 5353565 VCESACDANOPIQI-NSHDSACASA-N 301.386 3.081 0 40 DGAB COc1ccc(N(C)C(=O)CCc2c[nH]c3ccccc23)cn1 65741288 BMZPAWQPAQWKKZ-UHFFFAOYSA-N 309.369 3.167 0 40 DGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCC1 14797448 KBXSDJBDHYQPCC-AWEZNQCLSA-N 318.417 3.140 0 40 DGAB COc1ccc(-c2nnc(SC[C@H]3CCCO3)o2)c(OC)c1 7221124 WBXFLSXCGBJXNG-LLVKDONJSA-N 322.386 3.025 0 40 DGAB C[C@@H](Cc1cccc(Cl)c1)C(=O)NCC1(CCO)CCC1 95439976 CMWFNNAHHVDUOT-ZDUSSCGKSA-N 309.837 3.188 0 40 DGAB O[C@H]1C[C@H](C2CCCCC2)N(C[C@H](O)c2ccc(Cl)cc2)C1 95459090 POSTXSRYADKAGM-KSZLIROESA-N 323.864 3.389 0 40 DGAB CCOc1ccc(/C=C/C(=O)Nc2nnc(C3CC3)s2)cc1 9515020 VZHGFJBVEBJQBR-BJMVGYQFSA-N 315.398 3.466 0 40 DGAB O=C(c1ccc(F)cc1F)N1CCN(c2ccc(F)cc2)CC1 7950584 FKPWBQCJDWKBOL-UHFFFAOYSA-N 320.314 3.066 0 40 DGAB Cc1oc2cc(O)ccc2c(=O)c1Oc1ccc(C(=O)O)cc1 19902468 MJYJVCAHAFSTII-UHFFFAOYSA-N 312.277 3.298 0 40 DGAB CN(C(N)=O)c1ccc(OCc2ncc(-c3ccccc3)o2)cc1 83869403 BCDGDCVFXOTMOL-UHFFFAOYSA-N 323.352 3.436 0 40 DGAB CC(C)N1CCN(CCSc2ccc(F)cc2F)CC1 71922126 XLNWILPLLGZNFZ-UHFFFAOYSA-N 300.418 3.083 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)N[C@H]1CCCCc2ccccc21 69561199 VBYVRGXSNBDMAS-KRWDZBQOSA-N 312.417 3.029 0 40 DGAB COc1ncccc1C(=O)N(C1CC1)[C@H]1CCc2ccccc21 72039020 ZQTUZPRYZZMCCP-KRWDZBQOSA-N 308.381 3.382 0 40 DGAB CCOC(=O)Cc1ccccc1NC(=O)N(C)C[C@H](C)CC 72283399 USIWECWUMRQSNN-CYBMUJFWSA-N 306.406 3.302 0 40 DGAB COC(=O)c1coc(C(=O)N2CCC[C@H]2c2ccc(F)cc2)c1 97115334 BUTPNUIYNRVCSY-AWEZNQCLSA-N 317.316 3.183 0 40 DGAB Cc1cccc(N(C)S(=O)(=O)c2cc(Cl)ccc2C)n1 95945409 LKBVYAMUXARNQG-UHFFFAOYSA-N 310.806 3.177 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)Nc1ccc(OC)nc1 95963411 CGCPGAPULVYOSB-ZDUSSCGKSA-N 304.321 3.025 0 40 DGAB O=C(COc1ccccc1F)N1CCc2[nH]c3ccccc3c2C1 9900210 IXPUOCQCZNQGDP-UHFFFAOYSA-N 324.355 3.271 0 40 DGAB Cc1cc([C@H]2CCCN(C[C@H](O)c3ccccc3Cl)C2)n[nH]1 89599033 PRKSZJHTIRGYNU-GUYCJALGSA-N 319.836 3.285 0 40 DGAB Cc1ccc(CNC(=O)NCc2oc3ccccc3c2C)cn1 75139919 PXNXKUQKCBITGJ-UHFFFAOYSA-N 309.369 3.444 0 40 DGAB COc1cccc(NC(=O)/C=C/c2c(OC)cccc2OC)c1 409242390 UMRDLVGOOFITTH-ZHACJKMWSA-N 313.353 3.364 0 40 DGAB CC(=O)c1ccccc1NCC(=O)N[C@H]1CCCc2ccccc21 39561355 CMTFDUIQGFYICL-IBGZPJMESA-N 322.408 3.495 0 40 DGAB O=C(NC[C@H]1CCC[C@@H](CO)C1)c1cccc(C(F)F)c1F 529396301 WUGJLRSDXVDVCJ-WDEREUQCSA-N 315.335 3.292 0 40 DGAB CN1CCC[C@@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 129212903 ADNWZGXHODXRNS-CQSZACIVSA-N 302.418 3.288 0 40 DGAB COc1ccc(-c2cn3c(C)c(C(=O)O)sc3n2)cc1C 33418561 WJFPGMXKFGYINM-UHFFFAOYSA-N 302.355 3.386 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCCCc1ccc(F)cc1 219484709 BNFXMPVWYTYLHM-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=O)[C@H](C)Oc2ccccc2)cc1 219488688 QAXKJAPQLKXSDX-HOTGVXAUSA-N 313.397 3.346 0 40 DGAB O=C(c1ccc(F)cc1Cl)N1CC[C@H](Oc2ccncc2)C1 121035869 LOGJHJUXGICMHT-ZDUSSCGKSA-N 320.751 3.168 0 40 DGAB NNc1nnc(-c2cccc(OCc3ccccc3Cl)c2)o1 216801832 XNFJOBCDFDUMRI-UHFFFAOYSA-N 316.748 3.255 0 40 DGAB Brc1cccnc1SCCOC[C@@H]1CCCO1 78984563 KYWPPACAWJMSMH-JTQLQIEISA-N 318.236 3.132 0 40 DGAB CSC[C@@H](C)C(=O)NC[C@H](O)c1c(Cl)cccc1Cl 77647613 XGXUTMXUAYPOAV-KCJUWKMLSA-N 322.257 3.142 0 40 DGAB CC(C)CNC1(Cc2cc(-c3ccc(F)cc3)on2)COC1 72321917 MAPWPKYOFIYMNQ-UHFFFAOYSA-N 304.365 3.038 0 40 DGAB biogenic,in-vitro Cc1nc2cc(NC(=O)c3cc(-c4cccnc4)on3)ccc2o1 46911395 GGKANVAKMWAFFH-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB Cc1cccc(NC(=O)c2cn(C)c3ccccc3c2=O)c1C 41056947 ZVDZNLVXTNXRLE-UHFFFAOYSA-N 306.365 3.408 0 40 DGAB C[C@@H](c1ccccc1Br)N(C)C(=O)[C@@H]1CCCO1 135132025 ZDUHVMIIKFCKLK-GWCFXTLKSA-N 312.207 3.148 0 40 DGAB COC(=O)[C@@](C)(Br)c1ccc(Br)cc1 85393454 DIOWLHGFZXRYKC-JTQLQIEISA-N 321.996 3.232 0 40 DGAB CC(C)n1nc(CN(C)C)c2c1CN(Cc1cccs1)CC2 96255931 XKAVMJVXIPHSQV-UHFFFAOYSA-N 318.490 3.145 0 40 DGAB C[C@@H](N[C@H](C)c1nc2cc(Cl)ccc2n1C)c1cnn(C)c1 91346580 VFHOZUGOHIGFIS-GHMZBOCLSA-N 317.824 3.372 0 40 DGAB C[C@@H](CO)N[C@@H](c1ccc(Br)cc1)c1ccco1 97234070 HBXQXDDKKSURLU-HZMBPMFUSA-N 310.191 3.102 0 40 DGAB CCOC(=O)Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 96636374 JARNWNXIOIREKW-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB C[C@H](CC(=O)Nc1nc2ccsc2s1)c1cnn(C)c1 580406715 WTHXQWLRMKCQJN-MRVPVSSYSA-N 306.416 3.224 0 40 DGAB C[S@](=O)Cc1ccccc1NC(=O)c1cc2ccccn2c1 97377143 UOKPQSNLYHHKSS-JOCHJYFZSA-N 312.394 3.070 0 40 DGAB CCCCCOCC(=O)N[C@H](Cc1ccccc1)c1ncco1 585091161 OIGMFIIZOVVTJC-MRXNPFEDSA-N 316.401 3.281 0 40 DGAB CN1CC/C(=C\C(=O)N[C@H](c2ccccc2)c2ccc(F)cc2)C1 585120820 NFSDFOWMRJKFPH-UPTIQUDWSA-N 324.399 3.293 0 40 DGAB Cc1cc(CC2CCN(C(=O)Cc3ccsc3)CC2)ccn1 257315518 VBUGEDKHTIYAOW-UHFFFAOYSA-N 314.454 3.475 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)Cc1cc2ccccc2o1 253472775 PIIHBIFSSGQAQI-LLVKDONJSA-N 312.369 3.328 0 40 DGAB CCc1nccn1Cc1ccc(-c2ccccc2C(=O)O)cn1 257250256 JLTWWECLLIOKFR-UHFFFAOYSA-N 307.353 3.254 0 40 DGAB O=C(Nc1ccc2cn[nH]c2c1)c1cc(-n2cccc2)ccn1 85558201 HRBUORBKWOYYIY-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB Cc1ccccc1[C@H]([C@H](C)Nc1cccc(C(=O)O)n1)N(C)C 263405768 KNLVEBBQDYHYKW-GUYCJALGSA-N 313.401 3.192 0 40 DGAB Cn1ccc2c(C(=O)N(Cc3ccccn3)C3CC3)cccc21 69596996 QMWXKMREPHAPAY-UHFFFAOYSA-N 305.381 3.378 0 40 DGAB Cc1ccsc1CNC(=O)Nc1ccc(N2CCCC2)nc1 48086501 ODERQFDEQQVTHL-UHFFFAOYSA-N 316.430 3.373 0 40 DGAB CCCC(=O)NC[C@@H]1CCCN(C(=O)c2ccc(C)c(C)c2)C1 58224862 LVXLXAVHAXDVQE-INIZCTEOSA-N 316.445 3.072 0 40 DGAB CCOC(=O)[C@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 58214850 YWHQAQBVXKASCU-VIFPVBQESA-N 317.370 3.262 0 40 DGAB Cn1cc(CNC(=O)N2CCC[C@@H]2c2ccccc2Cl)cn1 54807149 MTYPYFISXJYXBU-OAHLLOKOSA-N 318.808 3.120 0 40 DGAB C[C@H](N[C@H](C)C(=O)N1CCc2ccccc21)c1ccc(F)cc1 57383654 OWAFKTDKZALUID-UONOGXRCSA-N 312.388 3.454 0 40 DGAB C[C@H](N[C@H]1C[C@@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 90115367 SNIXEVLTEKCKJS-IGCXYCKISA-N 313.376 3.065 0 40 DGAB CCC(=O)NC(=S)Nc1ccc(Br)cc1Cl 14257751 RIRNTCMHSMITFS-UHFFFAOYSA-N 321.627 3.326 0 40 DGAB O=[S@@](Cc1ncc(Cl)cc1Cl)c1ccc(O)cc1 163603864 JUDXYVQYTJXXMD-GOSISDBHSA-N 302.182 3.402 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCOc1ccc(C)cc1 8237984 WVNORMFFZQKMDP-FMIVXFBMSA-N 311.381 3.212 0 40 DGAB CCOc1ccccc1NC(=O)COc1cccc(C(C)=O)c1 3359767 HPBSNXRCOLDIMQ-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB COc1ccccc1NC(=O)[C@H]1CCCN1C(=O)OC(C)(C)C 5379675 ZNWVWVSZLXTHQK-CYBMUJFWSA-N 320.389 3.033 0 40 DGAB Cc1ccc(NC(=O)c2cccc(CN3CCCC3=O)c2)cc1 7071499 KPQDGVMQLNRDEU-UHFFFAOYSA-N 308.381 3.370 0 40 DGAB O=C(NCc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 38832768 YSBZUCBAAFRCEM-IBGZPJMESA-N 308.425 3.215 0 40 DGAB C[C@H](CN1c2ccccc2S(=O)c2ccccc21)N(C)C 1849516 OWTCLFIFAFHQIX-CYBMUJFWSA-N 300.427 3.255 0 40 DGAB in-vitro CC(C)(C)OC(=O)N[C@H](C(=O)O)c1ccc(Cl)c(F)c1 39956977 VDJNAHJXLUXEJK-JTQLQIEISA-N 303.717 3.130 0 40 DGAB C[C@@H](NC(=O)c1cccnc1N(C)C)c1cccc(Cl)c1 31695476 MWYYISYBGLJDMM-LLVKDONJSA-N 303.793 3.292 0 40 DGAB Cc1nn(C[C@H](O)c2ccccc2Cl)c(=O)c2ccccc12 51289731 QQEDTFRWVDXLNE-INIZCTEOSA-N 314.772 3.092 0 40 DGAB C[C@H](N[C@H](C)c1cccc(F)c1)c1nnnn1-c1ccccc1 51592829 USJWJHWCRGEJLB-OLZOCXBDSA-N 311.364 3.213 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCn3cccc3[C@@H]2C)cc1Cl 32404124 VOZREKZXXSZSGL-LBPRGKRZSA-N 324.833 3.215 0 40 DGAB CC(=O)O[C@@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(C)cc1 367491 UPQAHSRLTOVTQV-MSOLQXFVSA-N 309.365 3.010 0 40 DGAB c1ccc2sc(Nc3cnn(C[C@@H]4CCCO4)c3)nc2c1 52428865 NLWNWGPYDRNTPK-LBPRGKRZSA-N 300.387 3.415 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2c3ccccc3C[C@H]2C)s1 32876623 DBXSFRACGAKXHF-SNVBAGLBSA-N 300.383 3.298 0 40 DGAB CCc1noc([C@@H](C)N2CCN(c3cccc(Cl)c3)CC2)n1 32906036 GAXUWLYQYJEGLP-GFCCVEGCSA-N 320.824 3.169 0 40 DGAB COc1cc2[nH]c3c(N4CCCCC4)ncnc3c2cc1OC 486976 JEBGGGJLNDSORP-UHFFFAOYSA-N 312.373 3.119 0 40 DGAB biogenic C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NCc2cn3ccccc3n2)o1 53175338 CXGSSQXNNMRMBP-CJNGLKHVSA-N 323.396 3.300 0 40 DGAB Cc1ccc(/C=C/C(=O)OCC(=O)NC2CCCCC2)cc1 145870 ISFVALKORVIEGO-VAWYXSNFSA-N 301.386 3.000 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)NC(C)(C)C)o2)cc1 181674 BTNGXZJVLOXFMS-UHFFFAOYSA-N 305.403 3.052 0 40 DGAB O=C(NCc1ccccc1)c1cc2cc(Cl)ccc2oc1=O 354175 NDWZVYBKPDTNKY-UHFFFAOYSA-N 313.740 3.376 0 40 DGAB CC1(C)CC(=O)c2cnc(NC(=O)c3ccccc3F)nc2C1 534782 WDDGUUCMZPUOPY-UHFFFAOYSA-N 313.332 3.023 0 40 DGAB CCc1cc2c(N[C@H](C(=O)O)[C@H](C)CC)nc(C)nc2s1 572980 CUXKTIBIQATDCJ-PELKAZGASA-N 307.419 3.473 0 40 DGAB CC[C@@H](C)NC(=O)N1CCN(c2cc(Cl)ccc2C)CC1 2513664 AMSGVOHJKCOBPM-CYBMUJFWSA-N 309.841 3.279 0 40 DGAB O=C(Cc1cccs1)NC[C@H](c1ccco1)N1CCCCC1 3348694 VBTWIICTTSJDJW-OAHLLOKOSA-N 318.442 3.227 0 40 DGAB O=C1COc2ccc(Cl)cc2N1CCOc1ccccc1 4770746 IMNHTVJXCHDEJL-UHFFFAOYSA-N 303.745 3.144 0 40 DGAB CC(C)CC(=O)Nc1cccc2c1C(=O)N(c1ccccc1)C2=O 4823462 DAJOOVKNMUMRLO-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB COC(=O)c1cc(C)sc1NC(=O)CCc1ccc(C)o1 5016043 XHPHRIXSUIPXLD-UHFFFAOYSA-N 307.371 3.316 0 40 DGAB COc1ccc(-c2ccc(=O)n(Cc3ccc(C)cc3)n2)cc1 5388926 NJFIQZBXUMMISO-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB O=C(c1cccs1)N1CCN(c2ccccc2Cl)CC1 5392453 GHFZYYCWJBUVRV-UHFFFAOYSA-N 306.818 3.364 0 40 DGAB COc1cc(NC(=O)C2CCCC2)ccc1N1CCCCC1=O 5441478 GWYCHAWRACEYMJ-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB Cc1cc(C)cc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 6500838 IVCXCGOXNLBOKU-IBGZPJMESA-N 311.425 3.101 0 40 DGAB O=S(=O)(Nc1ccc2n[nH]cc2c1)c1ccccc1Cl 7050462 HYXRGIDSSXHNOO-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB Cn1cccc1C(=O)NC(=O)CSc1ccc2ccccc2c1 7779178 HVPUTQIDCDEWSF-UHFFFAOYSA-N 324.405 3.227 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)Nc1ccc(F)cc1 8184779 WBCBBKURDAISTA-HNNXBMFYSA-N 317.364 3.377 0 40 DGAB CN(Cc1ccccc1)C(=O)CSc1nc2ccccc2[nH]1 8654331 LYLUPTYYIGNMNV-UHFFFAOYSA-N 311.410 3.314 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 10449978 FRYFIJCHXVIQER-ZIAGYGMSSA-N 311.381 3.440 0 40 DGAB CC(C)[C@@H](NC(=O)CN(C)Cc1ccco1)c1ccccc1 11231007 FXLJDQMCYUFMKP-GOSISDBHSA-N 300.402 3.225 0 40 DGAB CCCCOc1c2c(nc3cc(C4CCOCC4)nn13)CCC2 12233591 NMSKKCAOEWGFRP-UHFFFAOYSA-N 315.417 3.291 0 40 DGAB C[C@H](Nc1cccc(CO)c1)C(=O)Nc1ccc(Cl)cc1 12782611 FRXMHAUBYKBQHE-NSHDSACASA-N 304.777 3.271 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1cccc(F)c1 12806111 MNTHHNOHUOQJOB-UHFFFAOYSA-N 301.317 3.218 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)[C@H]1CCCc2ccccc21 12822321 RXDCPSSWDXCALN-INIZCTEOSA-N 309.365 3.152 0 40 DGAB COc1ccc(-c2csc(NC(=O)[C@@H]3C[C@@H]3C)n2)c(OC)c1 12924236 WUFMGJCZVJWHLG-JOYOIKCWSA-N 318.398 3.422 0 40 DGAB COc1ccc(/C=C/C(=O)NCc2cccc(C)c2)cc1OC 13672233 PGUVQEBJYFBWEJ-CSKARUKUSA-N 311.381 3.342 0 40 DGAB Cc1cccc(C(=O)N2N=C(C(C)C)C[C@@]2(O)C(F)(F)F)c1 17087107 ZEUAWJYWCHSVAA-CQSZACIVSA-N 314.307 3.104 0 40 DGAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1ccc(C)cc1 19931440 HKQQOZWWKBUNRT-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB CCCn1c(NC(=O)CCc2cccnc2)nc2ccccc21 21597681 WUYCMAJAMVHCJP-UHFFFAOYSA-N 308.385 3.413 0 40 DGAB O=C(NCc1ccccc1Cl)[C@@H]1CC(c2ccccc2)=NO1 22327399 MTAUKAVYVKGCAS-INIZCTEOSA-N 314.772 3.149 0 40 DGAB O=C([C@@H]1Cc2ccccc2O1)N1CCc2[nH]c3ccccc3c2C1 22601772 UAYYJALPEDONCB-IBGZPJMESA-N 318.376 3.056 0 40 DGAB CN(Cc1cnn(C)c1)c1nc(C(F)(F)F)nc2ccccc12 25371452 ZWPXCSWSBYJADZ-UHFFFAOYSA-N 321.306 3.019 0 40 DGAB c1ccc(Cn2ncc3c2CCC[C@@H]3NCc2ccccn2)cc1 27223085 ZADIEEAIDSVPKB-IBGZPJMESA-N 318.424 3.494 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cccc(Oc2cnccn2)c1 32029150 UFNWHOFQYCFXDF-UHFFFAOYSA-N 324.340 3.055 0 40 DGAB COC(=O)C1(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)CCCCC1 32900522 GBBWBXJJTRJKLW-KGLIPLIRSA-N 307.434 3.217 0 40 DGAB CC(=O)N1CCC(NCc2ccc(Cl)cc2Cl)CC1 34995206 SNQXMUIQYFEEPG-UHFFFAOYSA-N 301.217 3.094 0 40 DGAB CC(C)CCNCC(=O)Nc1ccccc1N1CCCCC1 35311477 RIDVWJLZUXZDJF-UHFFFAOYSA-N 303.450 3.251 0 40 DGAB CCCCNC(=O)C1CCN(c2nc3ccccc3s2)CC1 35314167 SQMDXMLCNOYATF-UHFFFAOYSA-N 317.458 3.429 0 40 DGAB O=C(NCc1cc(-c2ccco2)on1)c1ccc2ccccc2n1 36662475 OEDHJCLZYFNIGK-UHFFFAOYSA-N 319.320 3.413 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCCSc2ccccc21 37104530 DIKDDOMPAXDAEL-UHFFFAOYSA-N 302.399 3.363 0 40 DGAB CC(C)N(C(=O)Cn1c(C=O)nc2ccccc21)c1ccccc1 41058267 KVMKGOIGIVMEDA-UHFFFAOYSA-N 321.380 3.290 0 40 DGAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@H]1CCCO1 42866604 NKTRPMXUSSQDQQ-NWDGAFQWSA-N 319.430 3.178 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 43584536 VGRQKMRIOWBNPO-LLVKDONJSA-N 310.781 3.449 0 40 DGAB CCC(=O)N1CCC[C@H](c2nnc(-c3ccccc3F)s2)C1 44204375 YSPXTTNTUQFLEO-NSHDSACASA-N 319.405 3.460 0 40 DGAB CC(C)N1CCC(NC(=O)CCc2ccc(Cl)s2)CC1 44985810 PYJWDMOHHKHXFT-UHFFFAOYSA-N 314.882 3.323 0 40 DGAB Cc1cccc(CNC(=O)NCCCn2cnc3ccccc32)c1 45113901 TXDIACCATSPYHA-UHFFFAOYSA-N 322.412 3.234 0 40 DGAB C[C@@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccncc1 45116704 UWJMBIMRCRARMJ-VXGBXAGGSA-N 304.777 3.380 0 40 DGAB O=C(Nc1cn[nH]c1)N[C@H]1CCSc2ccc(Cl)cc21 45269158 ASYFWVDRKXUIIR-NSHDSACASA-N 308.794 3.422 0 40 DGAB Cc1nccn1-c1ccc(CNCc2cc(F)ccc2F)cn1 48782584 CXTNURLDRMRJFC-UHFFFAOYSA-N 314.339 3.144 0 40 DGAB Cc1nc(C(F)(F)F)ccc1C(=O)NCCc1ccc(O)cc1 54116875 NBZOZGZSDMCMPN-UHFFFAOYSA-N 324.302 3.087 0 40 DGAB O=C(CN1CCC[C@H]1Cc1cccc2ccccc12)NC1CC1 60890655 BWMZPIJSEVBXGH-SFHVURJKSA-N 308.425 3.125 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)N2CCC(c3nc(C)no3)CC2)C1(C)C 65465529 WOPVLMDOODVFFF-LSDHHAIUSA-N 317.433 3.322 0 40 DGAB OC1=N[C@H](c2cc(Br)cs2)N2CCCC[C@H]12 65531453 HMQQGYVELSTUEQ-SCZZXKLOSA-N 301.209 3.334 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@@H](C)C(=O)N1CCC[C@H](C)CC1 65534485 NYVRSECLAHQJPD-ZFWWWQNUSA-N 312.413 3.150 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)Cc2cccc(Cl)c2)C1 67906881 PIHICHLMNRZMKD-AWEZNQCLSA-N 308.853 3.121 0 40 DGAB C[C@@H](Cn1cccn1)NCc1ccc(OCc2ccncc2)cc1 69452832 FHAZBSNYKFJLEM-INIZCTEOSA-N 322.412 3.035 0 40 DGAB Cc1nccn1CCCNC(=O)C(C)(C)c1ccccc1Cl 69967445 AQBQGJHXIGDCTG-UHFFFAOYSA-N 319.836 3.329 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)c1 71869974 LBDNYJNHKJDRGT-QYZOEREBSA-N 323.440 3.295 0 40 DGAB O=C(C[C@H]1CCc2ccccc2C1)NCc1cn2c(n1)CCCC2 71899408 BGDWMWCAFKMFMU-HNNXBMFYSA-N 323.440 3.031 0 40 DGAB COc1cccc(NC(=O)N2C[C@@H](O)C[C@H]2C2CCCCC2)c1 71908637 QNDSQLPUXQTMBB-RDJZCZTQSA-N 318.417 3.243 0 40 DGAB CC(C)c1nccn1[C@@H]1CCCN(C(=O)Cc2cccs2)C1 72234645 RTIYVQYAKOOOFE-CQSZACIVSA-N 317.458 3.474 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 72283081 NCNCNIUQZQUPFB-DOTOQJQBSA-N 309.413 3.236 0 40 DGAB C[C@@H](C1CC1)N(C)C(=O)NCCc1nc(C(F)(F)F)cs1 74899756 BRLSEEGDZQKQLB-QMMMGPOBSA-N 321.368 3.144 0 40 DGAB CS(=O)(=O)c1ccsc1NC(=O)C1=C(Cl)CCCC1 76040813 GVWIKSRODJIPGT-UHFFFAOYSA-N 319.835 3.157 0 40 DGAB CO[C@@H]1CCCC[C@@H]1OC(=O)c1coc(-c2ccccc2)n1 78076512 SHLUODCGOGBWOE-CABCVRRESA-N 301.342 3.456 0 40 DGAB COc1cccc(Oc2ncccc2CNC(=O)c2ccoc2)c1 78202102 GLCNOZXKLVXJCW-UHFFFAOYSA-N 324.336 3.406 0 40 DGAB C[C@@H](c1ccccc1F)[S@@](=O)Cc1nc(-c2ccco2)no1 78556222 CNSWJAVSMVPADJ-MLMJSJRWSA-N 320.345 3.479 0 40 DGAB C[C@@H]1C[C@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 78570618 NIUIYONNBJSBMH-DJIMGWMZSA-N 306.494 3.439 0 40 DGAB COCCNC(=O)N(Cc1ccccc1)[C@H](C)c1ccccn1 78613773 PFYQTCSCPNWUSZ-OAHLLOKOSA-N 313.401 3.001 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2cccc(C(F)(F)F)c2F)o1 79755164 MCFGIFRVDBTTME-ZCFIWIBFSA-N 318.226 3.454 0 40 DGAB O=C(O[C@H](C(=O)N1CCCC1)c1ccccc1)[C@H]1CC=CCC1 84519342 JFZCBCLPZJQQJH-IRXDYDNUSA-N 313.397 3.250 0 40 DGAB CC(C)(O)CCn1c(=O)n(C2=CCCCC2)c2ccccc21 85260797 IHFLDAAZRPQAFA-UHFFFAOYSA-N 300.402 3.379 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccc(Br)c(F)c1 88086141 VZWNMZDWAWBILK-UHFFFAOYSA-N 320.117 3.389 0 40 DGAB Cc1ncccc1C(=O)N(C)c1ccc(-c2ccccc2)nn1 89540528 NOPHRLIRVJYZAA-UHFFFAOYSA-N 304.353 3.124 0 40 DGAB Cc1ncc(CN(C)[C@H](C)c2ccc(-n3cncn3)cc2)s1 89730072 YFOXJWMBOKIUBK-GFCCVEGCSA-N 313.430 3.225 0 40 DGAB NC(=O)c1csc(CN2CCC(OC3CCCCC3)CC2)c1 92736205 AWAHCNFBXGYHRQ-UHFFFAOYSA-N 322.474 3.161 0 40 DGAB O=C(c1ccncc1Cl)N(Cc1ccc(O)cc1)CC1CC1 95427665 SGIOQCUXDOTNFK-UHFFFAOYSA-N 316.788 3.493 0 40 DGAB CCOc1ccc(NC(=O)NC[C@H]2CCO[C@H](C)C2)cc1C 95458139 FLZKJBDIBOQQIA-KGLIPLIRSA-N 306.406 3.330 0 40 DGAB O=C(NC1CC=CC1)c1c[nH]c2cccc(Br)c12 95979084 OJPFJBNBVANYLX-UHFFFAOYSA-N 305.175 3.379 0 40 DGAB COC(=O)[C@H](Sc1ncn[nH]1)c1cccc(Cl)c1Cl 96005544 PPGLWNSUHLNXJT-SECBINFHSA-N 318.185 3.118 0 40 DGAB COC(=O)c1ccc(-c2noc(C(C)(C)c3cccnc3)n2)cc1 96006886 LDWBYQKVMBPOHT-UHFFFAOYSA-N 323.352 3.244 0 40 DGAB COC[C@H]1CN(Cc2cccs2)Cc2ncn(CC3CC3)c21 96060265 LJGVDTFPFTWVCJ-CQSZACIVSA-N 317.458 3.100 0 40 DGAB Cc1ccc(NC(=O)NC2CCN(c3nccs3)CC2)cc1 96383890 ZCQZTZFASPQXPN-UHFFFAOYSA-N 316.430 3.242 0 40 DGAB COc1ccccc1C[C@H](C)N(C)C(=O)/C=C/c1cccnc1 96431591 BNIHQOKYANKLEH-NKSUMMKUSA-N 310.397 3.193 0 40 DGAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2cn(C)nc2C)o1 96433204 PXZRQCLTNPYVHO-ABAIWWIYSA-N 301.390 3.243 0 40 DGAB Cc1cc(Br)cnc1N1CCC(n2cccn2)CC1 96466559 MXQUMMVLNWEPHS-UHFFFAOYSA-N 321.222 3.191 0 40 DGAB C[C@@H](NC[C@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 96490998 CZNAUZLKYAURTG-ZIAGYGMSSA-N 302.418 3.112 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCC(=O)N2)c1nc2ccccc2o1 96496037 BSXWUPYFVWSYSV-JTQLQIEISA-N 309.325 3.332 0 40 DGAB COc1cc(OC)cc(C2=N/C(=C/c3ccsc3)C(=O)O2)c1 96635131 LJAJVNQHTOWKRL-LHHJGKSTSA-N 315.350 3.110 0 40 DGAB CSC[C@@H](C)C(=O)Nc1cc(C)c(Br)cn1 97012463 FDXRUKXLOMAMRN-MRVPVSSYSA-N 303.225 3.090 0 40 DGAB CN(Cc1ccc(F)c(F)c1)Cc1nnc(C2CC2)n1C1CC1 97083535 OKYUXVPMWNBHSC-UHFFFAOYSA-N 318.371 3.401 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)cc1F)OC2=O 100190156 ISLONOZKUMQREE-HOTGVXAUSA-N 309.312 3.025 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c2c(C)noc2n1 102128132 BCULXEWUHNBOIE-ASEORRQLSA-N 313.401 3.394 0 40 DGAB CCCc1cc(O)n2ncc(-c3ccc(OC)c(OC)c3)c2n1 102599760 IHNRNQREUILPOH-UHFFFAOYSA-N 313.357 3.072 0 40 DGAB O=C(NC[C@H](O)c1ccc2ccccc2c1)[C@H]1C[C@H]1c1ccco1 110583912 WGPUDRXWRAXKIW-SQNIBIBYSA-N 321.376 3.386 0 40 DGAB CCc1cc(S(=O)(=O)NCc2ccccc2C)ccc1OC 113969777 LEVWVGQGLPSAJT-UHFFFAOYSA-N 319.426 3.045 0 40 DGAB CC(C)(C)n1nccc1NC(=O)N(Cc1ccccn1)C1CC1 190435792 NUFBQBSVWREDFA-UHFFFAOYSA-N 313.405 3.230 0 40 DGAB CC(C)(C)c1ccc(-c2nnc(SCCC(=O)O)[nH]2)cc1 224972937 HJCIGBDXZWCQIT-UHFFFAOYSA-N 305.403 3.336 0 40 DGAB Cn1c(=O)sc2cc(NC(=O)NC3CCCCC3)ccc21 225073585 JIOGSJOWDNIMBD-UHFFFAOYSA-N 305.403 3.054 0 40 DGAB O=C(Nc1ccc(OCCCN2CCCC2)cc1)C(F)(F)F 225587098 XLXDXLSFRBDMPB-UHFFFAOYSA-N 316.323 3.052 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@H](Cc2cccnc2)C1 257317223 VIWRNFKBJUTSLO-GOSISDBHSA-N 324.424 3.332 0 40 DGAB COc1ccc(OCCCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 347585490 WTNMJXRGJXYIPB-ZQIUZPCESA-N 303.402 3.159 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1ccccc1Cl 390825877 LTCNKPJBQVKTKQ-CYBMUJFWSA-N 319.792 3.358 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)nc1)c1ccc2nc[nH]c2c1 390830460 LGEJAFWHNXZEAU-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@@H]2CC[C@@H]2c2ccc(F)cc2)cnn1C 527888329 XBVVQIFJLLFJIO-IUIKQTSFSA-N 315.392 3.239 0 40 DGAB O=C(O)CC12CCC(NC(=O)OCc3ccccc3)(CC1)CC2 575631036 KODAJNKUTWJAKW-UHFFFAOYSA-N 317.385 3.481 0 40 DGAB O=C(NC[C@H]1CCC[C@@H](CO)C1)c1ccc(-c2ccccc2)o1 585083236 DXPCLISPCCLMDG-LSDHHAIUSA-N 313.397 3.475 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)c2ccc(Cl)nc2F)on1 585134366 PQTRRQUTRXJZFE-JTQLQIEISA-N 309.728 3.148 0 40 DGAB Cc1cnc(OC[C@@H]2CCCN(c3ccncc3Cl)C2)nc1 1776000978 SKUCLZBFVFXVGV-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2cccc(Cl)c2)on1 22910911 WTLDWSOLEXGDOP-LLVKDONJSA-N 307.781 3.095 0 40 DGAB Cc1cc(C(=O)NCC(c2ccccc2)c2ccccc2)[nH]n1 54056928 PGMQJAGGFDCIQZ-UHFFFAOYSA-N 305.381 3.280 0 40 DGAB O=C1C=C(Nc2cccc3ccccc23)C(=O)N1Cc1ccco1 12324947 LFUXVJRFAGEFMC-UHFFFAOYSA-N 318.332 3.298 0 40 DGAB O=C(CSc1ncnc2ccccc12)N1CCc2ccccc21 3245805 UMMUZDQDWMMLSZ-UHFFFAOYSA-N 321.405 3.311 0 40 DGAB C[C@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 3402382 VLPPKCUVNPIWPW-LBPRGKRZSA-N 317.772 3.453 0 40 DGAB CC(=O)N1CCN(Cc2sc3ccccc3c2Cl)CC1 23701853 HVDHWMOIDOTTOK-UHFFFAOYSA-N 308.834 3.219 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)C1=NO[C@@H](c2ccccc2)C1 54654931 QMWUQJQAPDUASK-CYBMUJFWSA-N 313.382 3.088 0 40 DGAB COc1ccccc1[C@H](O)CNC(=O)Nc1ccc(C)cc1C 43142148 ICGPSSHTQLUOMV-MRXNPFEDSA-N 314.385 3.167 0 40 DGAB COC(=O)c1[nH]c2ccccc2c1CNC(=O)c1ccc(C)cc1 1387137 YOHQRNCNNNDXMB-UHFFFAOYSA-N 322.364 3.193 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 8051234 DJEWOMPNYGVKMR-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB CN(C)CCCNc1nc(-c2cccnc2)nc2ccccc12 1771828 PNENGZSEXRSPLA-UHFFFAOYSA-N 307.401 3.055 0 40 DGAB C[C@@H]1CCc2c(sc3ncnc(NCCCCCO)c23)C1 1778467 GBLIZCKGLAOHKA-LLVKDONJSA-N 305.447 3.391 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NCCCNc1ccccn1 44970668 KDKDNYXTDCMWHH-CYBMUJFWSA-N 318.446 3.348 0 40 DGAB CCc1ccc(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 101276605 OYLDSCQUDSBDLK-MRXNPFEDSA-N 312.344 3.132 0 40 DGAB CCCCOCC(=O)N[C@H](c1ccc(F)cc1)c1cccnc1 95398488 RQKRDEHLRZPFTE-GOSISDBHSA-N 316.376 3.243 0 40 DGAB CCOc1ccccc1CNC(=O)[C@H](C)Oc1cccc(C)c1 20481792 ZDLBZCTUVXELHF-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)NCc1csc(C)n1 45342870 SYYJAALTEXXDOW-VIFPVBQESA-N 323.393 3.160 0 40 DGAB O=C(NCc1ccoc1)c1cc2c(nc3sccn32)s1 45835526 ISGSOLVYQPZGGH-UHFFFAOYSA-N 303.368 3.134 0 40 DGAB CC(=O)Nc1cccc([C@H](C)OC(=O)c2c(C)noc2C)c1 95449993 ZRZFKMLMJULJCK-JTQLQIEISA-N 302.330 3.168 0 40 DGAB Cc1nn(CC(=O)N[C@@H]2CCCc3ccccc32)c(C)c1Cl 27982048 SWNWYXQSNLBMNA-OAHLLOKOSA-N 317.820 3.347 0 40 DGAB CC(=O)c1ccc(O[C@@H](C)C(=O)NCC2CCCCC2)cc1 3452919 HONNZTBJMORNAO-AWEZNQCLSA-N 303.402 3.353 0 40 DGAB O=C(c1ccc(Br)o1)N1CCc2sccc2C1 12215664 YXMOSYFNCXFAEV-UHFFFAOYSA-N 312.188 3.302 0 40 DGAB COc1ccc(-c2cc3ccccc3oc2=O)cc1NC(C)=O 12296450 CJNSOMFQCMRTNB-UHFFFAOYSA-N 309.321 3.427 0 40 DGAB biogenic Cn1ncc2c1CCC[C@H]2NCc1cnc(-c2ccccc2)nc1 48711653 RZQSWFGLYITRRT-QGZVFWFLSA-N 319.412 3.044 0 40 DGAB COc1ccccc1C(=O)Nc1nc(-c2cccnc2)cs1 6235408 CYTZVKNNELBLMP-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)cc1C 65415287 GVURFYHQASROAB-NSHDSACASA-N 316.405 3.237 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2ccc([C@H]3C[C@@H]3C)o2)s1 14016789 ZODWFZDZTSKQRV-JTAJDHSHSA-N 303.387 3.469 0 40 DGAB CC(C)(C)c1ccc(OC[C@H](O)CSc2nncs2)cc1 65590971 ZOCKWLXFKGCKER-LBPRGKRZSA-N 324.471 3.368 0 40 DGAB COc1ccc(OCCOc2ccc(NC(C)=O)cc2)cc1 5347068 YSUBRIGVSFIRJB-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB Cc1ccc(NC(=O)c2cnn(Cc3ccccc3)c2)c(O)c1 14169533 YRDONDVJWQKXSN-UHFFFAOYSA-N 307.353 3.198 0 40 DGAB C[C@H](c1nc2scc(-c3ccco3)c2c(=O)[nH]1)N1CCCC1 14121830 KRVFZMIAZMJIGC-SNVBAGLBSA-N 315.398 3.401 0 40 DGAB CC(=O)c1cccc(OC[C@@H](O)CNC(C)(C)CC(C)(C)C)c1 14230134 MNYKVXFQAKWTNS-INIZCTEOSA-N 321.461 3.433 0 40 DGAB CC(C)COc1cccc(C(=O)N=c2[nH]c3ccccc3[nH]2)c1 6610488 JDWQQXIBYKQPQG-UHFFFAOYSA-N 309.369 3.272 0 40 DGAB CN(C)c1cccc(C(=O)NCCc2c[nH]c3ccccc23)c1 6831988 ZDJFMALHXAPFPM-UHFFFAOYSA-N 307.397 3.206 0 40 DGAB CC(C)(CC(=O)N[C@@H]1CCN2CCCC[C@H]12)c1ccccc1 67165097 AYHIUIRSTMKVHO-IAGOWNOFSA-N 300.446 3.097 0 40 DGAB Cc1ccc(-c2noc(-c3n[nH]c(=O)c4ccccc34)n2)cc1C 67172493 JFYXPHRMVVYDDE-UHFFFAOYSA-N 318.336 3.257 0 40 DGAB COc1cc(C(=O)Nc2cc(Cl)c(OC)c(Cl)c2)on1 97108872 MBEGLBNPNQOOGU-UHFFFAOYSA-N 317.128 3.251 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)c1 7608196 PFNMENJZULIWFT-KRWDZBQOSA-N 322.408 3.291 0 40 DGAB Fc1cc2c(c(CN3CCC[C@H](C(F)(F)F)C3)c1)OCOC2 16047113 CSZGTLVJGUBFNM-LBPRGKRZSA-N 319.298 3.467 0 40 DGAB COC(=O)c1ccc(/C=C/C(=O)N[C@H]2CCCC[C@@H]2C)cc1 7786487 XXZAYYGGTQVCGP-IKRZEOFISA-N 301.386 3.181 0 40 DGAB CCCCC[C@@H](C)NC(=O)[C@@H](NC(=O)c1ccco1)C(C)C 7813917 QGXDLTLMVZLBSM-HIFRSBDPSA-N 308.422 3.119 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N[C@H]1CCCC[C@H]1C 68962521 QKTWLKCUOBOGPG-HIFRSBDPSA-N 317.433 3.060 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1C(C)C 8130446 YDXVODJEPMYRHU-UHFFFAOYSA-N 311.447 3.383 0 40 DGAB CC[C@@H](c1ccccc1)c1nnc(NC(=O)[C@@H]2CCOC2)s1 71883183 ANHVUNMVPXGZSP-OLZOCXBDSA-N 317.414 3.055 0 40 DGAB C[C@@H]1CCC[C@H]2CCCN(C(=O)c3ccc(-n4ccnc4)nc3)[C@@H]21 71830319 YYVFFQWAHUYGBI-RVKKMQEKSA-N 324.428 3.308 0 40 DGAB C[C@@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1cccc(F)c1 71859100 VOGNTIAYRMQYOE-WHEQGISXSA-N 319.401 3.126 0 40 DGAB Cc1cc(CNC(=O)N[C@@H]2CCSc3ccc(F)cc32)on1 69464704 VXAAMIQWNSKOFP-CYBMUJFWSA-N 321.377 3.158 0 40 DGAB C[C@@H](c1nc(C2CC2)no1)N1C[C@H](c2ccccc2)O[C@H](C)C1 71828253 CICNYBGRVODDJZ-DVOMOZLQSA-N 313.401 3.470 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccn(CCc2ccncc2)n1 69779487 WARMJTXNWLPAKO-VOTSOKGWSA-N 318.380 3.173 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2cc(-c3ccccc3)no2)cn1 69740484 QMBWCMQKCIKOGC-GOSISDBHSA-N 308.385 3.412 0 40 DGAB COCCNC(=O)c1ccccc1SCc1cccs1 21897595 TUQJVKSUKDBDOK-UHFFFAOYSA-N 307.440 3.417 0 40 DGAB CC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl 72302989 RHOCNDIEQINWAZ-QGZVFWFLSA-N 317.772 3.337 0 40 DGAB Cc1nc2ccccc2c(N2CCO[C@@H](c3cnn(C)c3)C2)c1C 97085997 UCWMCZYAHIPESK-GOSISDBHSA-N 322.412 3.163 0 40 DGAB Cc1nnc(CN[C@@H](C[C@@H]2CCOC2)c2ccccc2)s1 97033628 AOYKXYYOCPZOKK-ZFWWWQNUSA-N 303.431 3.104 0 40 DGAB Cc1sc2nc(C(F)(F)F)nc(NCCN(C)C)c2c1C 95948983 CVFBXRRFSHRTPX-UHFFFAOYSA-N 318.368 3.300 0 40 DGAB CCS[C@@H]1CCC[C@H](NC(=O)NCc2cccc(CO)c2)C1 89275077 RYYHROQUWSFELM-JKSUJKDBSA-N 322.474 3.042 0 40 DGAB O=C(NCC1CCCCCCC1)N1CCC[C@@H](c2ncn[nH]2)C1 89761971 KLSKKAZOGBNDIL-OAHLLOKOSA-N 319.453 3.054 0 40 DGAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)c1cccc(F)c1 408714218 LONXMZBUWVFDRH-UHFFFAOYSA-N 311.316 3.148 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)Nc1cccc2[nH]ccc12 60349711 XLOWDQNWUIWWON-UHFFFAOYSA-N 309.325 3.218 0 40 DGAB biogenic COCCCNC(=O)Nc1cccc(N2CCCCCC2)c1 77723497 DLRWZHGXPZERMK-UHFFFAOYSA-N 305.422 3.225 0 40 DGAB O=C(c1cc(-n2cccc2)ccc1Cl)N1CCSCC1 32071940 YBLCREAWSINOSE-UHFFFAOYSA-N 306.818 3.320 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccc(F)cc2)C1 225727773 PUGLPAVARNALLA-KBPBESRZSA-N 323.481 3.480 0 40 DGAB CCCCNC(=O)[C@H](C)Oc1nn(-c2ccccc2)cc1Cl 227152682 BFCJQOWOOWBEND-LBPRGKRZSA-N 321.808 3.209 0 40 DGAB C[C@](CO)(NCc1ccc(Br)o1)c1ccccc1 134320908 LEJKXUSZTGHQQM-CQSZACIVSA-N 310.191 3.039 0 40 DGAB CC[C@@H](C(=O)Nc1cc(-n2cnnn2)ccc1C)c1ccccc1 44600308 VSSDJWKBYUAZGF-MRXNPFEDSA-N 321.384 3.103 0 40 DGAB CCCOC1(C(=O)Nc2ccc(OC)nc2)CCC(C)CC1 225912184 KLQMJLGVMZICGA-UHFFFAOYSA-N 306.406 3.404 0 40 DGAB Cc1ccc2[nH]c(-c3ccc(C(=O)N4CCOCC4)cc3)nc2c1 225263373 HIQSJMZOIMHRFH-UHFFFAOYSA-N 321.380 3.011 0 40 DGAB O=C1C[C@H](CNc2ccc(OC(F)F)cn2)c2ccccc2N1 91733406 QQQZDMXDSDINSP-SNVBAGLBSA-N 319.311 3.221 0 40 DGAB CC(C)[C@@H]1CO[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96222046 FZGBTTDKJBUPJS-YJBOKZPZSA-N 303.402 3.060 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)Nc1ccc(F)cc1F 96098642 NEENNIUPUCQILK-UHFFFAOYSA-N 321.331 3.082 0 40 DGAB c1ccc(O[C@H]2COCCN(Cc3c[nH]c4ccccc34)C2)cc1 96113202 SRNPGELWCDDWAH-GOSISDBHSA-N 322.408 3.448 0 40 DGAB biogenic,in-vitro O=S(=O)(c1ccccc1)n1c(Cl)cc2c(F)ccnc21 95920002 IPWZAROOEFPHKL-UHFFFAOYSA-N 310.737 3.066 0 40 DGAB COc1cccc2c1CCCCN2C(=O)Nc1cc(C)nn1C 585119623 NOLUALGTDRUBGZ-UHFFFAOYSA-N 314.389 3.112 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@H](c4[nH]ncc4C)C3)coc2c1 257317152 VIOYGPDNWRJEKS-AWEZNQCLSA-N 323.396 3.331 0 40 DGAB O[C@H]1CCN(Cc2ccsc2)CC[C@@H]1Oc1ccc(F)cc1 257275581 NPYSZPSWNXAXKF-IRXDYDNUSA-N 321.417 3.292 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2sc(C)cc2OC)c1 72283281 BLDTXNIJHKBIRL-UHFFFAOYSA-N 318.398 3.067 0 40 DGAB CN(CCCOc1ccc(Cl)cc1)C(=O)[C@]1(C)CCCO1 79069817 UVGHYZNLQLLRRU-INIZCTEOSA-N 311.809 3.136 0 40 DGAB C[S@](=O)c1ccc(CNc2ncnc3ccc(F)cc23)cc1 79026563 AOXLNAMOCAETMO-JOCHJYFZSA-N 315.373 3.118 0 40 DGAB Cc1cccc(N2CCN(c3nc(C4CC4)ns3)CC2)c1C 301434917 IYWCGZJFMGDONJ-UHFFFAOYSA-N 314.458 3.359 0 40 DGAB Cc1ncnc(N2CC(n3c(C4CC4)nc4ccccc43)C2)c1C 1775972850 YQPRDKKQFWJVJD-UHFFFAOYSA-N 319.412 3.382 0 40 DGAB CCOC(=O)[C@H]1[C@H]2c3ccccc3-c3ccccc3[C@@H]2C[C@H]1O 5030113 XBBKGMWUFSFRON-ZSYWTGECSA-N 308.377 3.478 0 40 DGAB in-vitro CCc1ccc2c(c1)[C@@H](NC(C)=O)C(=O)N2CCc1ccccc1 5429415 NMIDVFVDNQIJDK-LJQANCHMSA-N 322.408 3.016 0 40 DGAB COCCNc1c(-c2ccccc2Cl)nc2cnccn12 12113813 KOOSLWFVOFYIAC-UHFFFAOYSA-N 302.765 3.108 0 40 DGAB C[C@@H](Oc1ccc2nc3n(c(=O)c2c1)CCC3)c1ccccc1 12900844 VVQNUXQUNPPCMR-CYBMUJFWSA-N 306.365 3.483 0 40 DGAB biogenic O=C(c1ccccc1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19368671 QPVQUCUTLWHYDU-OAHLLOKOSA-N 311.385 3.357 0 40 DGAB CCc1cc(CNC(=O)c2c(C)oc3ccc(OC)cc23)on1 19522810 LUZWEZLULPKAMW-UHFFFAOYSA-N 314.341 3.230 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@H](c2cc3cnccc3[nH]2)C1 19579979 FYVVINAATWOSFK-ZDUSSCGKSA-N 324.384 3.188 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2 5027644 UHEMHZUOJDIROT-UHFFFAOYSA-N 309.413 3.396 0 40 DGAB CCc1ccc(C(=O)N2[C@H]3CC[C@H]2CC(n2cccn2)C3)cc1 1888854083 MLMIKNGSWLRRAQ-IRXDYDNUSA-N 309.413 3.454 0 40 DGAB O[C@H](CNc1ncc(F)cn1)c1ccc(-c2ccco2)s1 1889160445 GPGHIWAXYSXTBQ-SNVBAGLBSA-N 305.334 3.083 0 40 DGAB CC1(CO)CCN(c2ncc(Cl)cc2Br)CC1 225602397 OUFNGDHNZJAJHE-UHFFFAOYSA-N 319.630 3.096 0 40 DGAB Cc1nc2ccc(NS(=O)(=O)c3ccccc3)cc2s1 7505250 ZWLRHSBUBJESSV-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB COc1cccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)c1 4061481 LUJRGHLPIGTTJP-UHFFFAOYSA-N 308.381 3.425 0 40 DGAB CN1CCCC[C@@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 2055759427 YSWYYAXTMDQURZ-IWAYRVGRSA-N 318.486 3.484 0 40 DGAB CO[C@](C)(CNc1ncnc2ncccc12)c1ccccc1F 1775970542 FHWNITQMBRYXMF-QGZVFWFLSA-N 312.348 3.138 0 40 DGAB O=C(NC[C@H](O)c1csc2ccccc12)NC1CCCC1 585372605 TWTPXAHNICVJTA-AWEZNQCLSA-N 304.415 3.177 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)cc1C 13348690 UEAZUAIWOANQGP-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1cc(C)cc(OCCNc2ncnc3c2ncn3C2CC2)c1 431020720 CZVKRSYGRSQQHQ-UHFFFAOYSA-N 323.400 3.269 0 40 DGAB CCn1c(=O)n(CCC(=O)Nc2cccc(C)c2)c2ccccc21 10403628 MEYPSOPQZWQWQR-UHFFFAOYSA-N 323.396 3.160 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)CCNc2ccccc2C)no1 30232225 RXISVPLQMVRBCL-KRWDZBQOSA-N 313.401 3.457 0 40 DGAB Cn1c(C(=O)NCCc2ccccc2F)cc(Cl)c1Cl 30672856 GQGDQCZQZHSKBL-UHFFFAOYSA-N 315.175 3.444 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@H]2COc3ccccc3O2)cc1 144440 ZFSUQCOPGFWFFB-QGZVFWFLSA-N 313.353 3.252 0 40 DGAB C[C@@H](CNC(=O)c1ccn(-c2ccccc2)n1)c1ccccc1 32699856 VVUCVHULYBIAJH-HNNXBMFYSA-N 305.381 3.406 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN2C(=O)c2ccco2)cc1C 32726854 ZPHRIUKKIIHIKQ-OAHLLOKOSA-N 312.369 3.140 0 40 DGAB O=S(=O)(NCCc1cccc(F)c1)c1ccc(Cl)cc1 32814241 GGHLDMGUDILGCZ-UHFFFAOYSA-N 313.781 3.000 0 40 DGAB CC(=O)c1cccc(NC(=O)Cc2cn3cccc(C)c3n2)c1 41284153 QCGINJLJYXLGKX-UHFFFAOYSA-N 307.353 3.027 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2c[nH]c3ccccc23)c1 414146 RNCYHAMPLDWNFO-UHFFFAOYSA-N 310.353 3.366 0 40 DGAB biogenic O=C(Nc1nc(C2CC2)cs1)[C@H]1CC(c2ccccc2)=NO1 33167655 WPIJHGRMVCVGSK-CQSZACIVSA-N 313.382 3.152 0 40 DGAB CCc1ccccc1NC(=O)[C@]1(C)Cc2ccccc2C(=O)O1 542110 AHWURWXIBGJFPJ-IBGZPJMESA-N 309.365 3.359 0 40 DGAB CC(C)CC(=O)NC(=S)Nc1ccccc1N1CCCC1 520367 UUOFTNXOMNHBLO-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB C[C@@H]1CCCN(C(=O)C2CCN(Cc3ccccc3F)CC2)C1 317547 XNPVBXLEWRYESJ-OAHLLOKOSA-N 318.436 3.296 0 40 DGAB O=c1oc2cc(Br)ccc2n1Cc1ccccc1 366294 JIHQJSPYQCOLLN-UHFFFAOYSA-N 304.143 3.405 0 40 DGAB CC(=O)O[C@@H](c1ccnc2ccccc12)[C@@H]1CC2CCN1CC2 1680260 AQPAKLCDHXUDCB-OALUTQOASA-N 310.397 3.323 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 1934050 GJUPFGGKADUMMC-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1C 3443480 BXDASJKBCCSWOF-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB COC[C@H](C)NC(=O)COc1cc(C)c(Cl)cc1C(C)C 3452953 XXRFITBKMQSNSD-LBPRGKRZSA-N 313.825 3.302 0 40 DGAB C[C@H]1CC[C@H]2C(=O)N(CNc3cccc(Cl)c3)C(=O)[C@@H]2C1 4503215 GHTCTQKZYZCPNA-ZLKJLUDKSA-N 306.793 3.131 0 40 DGAB Cc1ccc(-c2noc(CCC(=O)N3CCCCCC3)n2)cc1 4920746 LXFYRKDKYDQGEW-UHFFFAOYSA-N 313.401 3.380 0 40 DGAB O=C(CSc1ncccc1C(=O)O)c1ccccc1Cl 7002285 AAUFDGGKGLLCTP-UHFFFAOYSA-N 307.758 3.408 0 40 DGAB COc1ccccc1NC(=O)CSc1ncc2ccccn12 9467033 OVTLUXJDOSUMCN-UHFFFAOYSA-N 313.382 3.074 0 40 DGAB COc1cc(C(=O)Nc2ccccc2O)ccc1OC(C)C 9478288 ZVPUTASPBBBXLB-UHFFFAOYSA-N 301.342 3.440 0 40 DGAB O=C(NCc1cccnc1)c1cc(C2CC2)nc2ccccc12 12324582 OLZUKVJFRDBCTK-UHFFFAOYSA-N 303.365 3.437 0 40 DGAB C[C@H](NC(=O)C1(c2ccccc2)CC1)c1nc2ccccc2[nH]1 12540432 CZRCHJZZWRQGCQ-ZDUSSCGKSA-N 305.381 3.472 0 40 DGAB O=C(CSc1ccccc1C(=O)O)Nc1cc(F)cc(F)c1 12812171 XIEYAHONZVANET-UHFFFAOYSA-N 323.320 3.394 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2ccc(C)o2)cc1F 12942966 NOCNZSMSCQTUGC-VQHVLOKHSA-N 303.333 3.408 0 40 DGAB COc1ccccc1C(=O)OCc1cnn(-c2ccccc2)c1 12986820 SHYVFQAZMTUIIO-UHFFFAOYSA-N 308.337 3.238 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)c2c[nH]c3ccccc23)n1 13879024 PFBLYQRELVXBAX-UHFFFAOYSA-N 300.387 3.384 0 40 DGAB Cc1cccc(OCCOC(=O)c2cc(=O)[nH]c3ccccc23)c1 15913503 UYMSTYGDOJOSKX-UHFFFAOYSA-N 323.348 3.072 0 40 DGAB CSCC[C@@H](NC(=O)Nc1ccc(C(C)C)cc1)C(=O)O 15998893 CZDNGHJADNZLKG-CYBMUJFWSA-N 310.419 3.138 0 40 DGAB CC1=NN(c2ccc(NC(=O)Nc3ccccc3)cc2)C(=O)C1 16607325 VXZXRJQHAWIPLN-UHFFFAOYSA-N 308.341 3.443 0 40 DGAB CN(C)c1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1 18150983 DFODSPHDWZBYGK-UHFFFAOYSA-N 318.804 3.215 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)COc1ccc(F)cc1 19935087 OTRGFMAWPQSIEI-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB c1ccc(CN2CCOCC2)c(CNc2nc3ccccc3o2)c1 22530611 KCEKJBNNBPVHFF-UHFFFAOYSA-N 323.396 3.272 0 40 DGAB CCOc1cc2c(cc1CNC(=O)[C@H]1CC=CCC1)O[C@@H](C)C2 24645681 IWSRTOFJTBQQIH-KBPBESRZSA-N 315.413 3.381 0 40 DGAB Cc1ccc(CN(C)Cc2cc(=O)n3cccc(C)c3n2)c(C)c1 24811201 ZKDZBHPLBQOVHJ-UHFFFAOYSA-N 321.424 3.252 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc2c(c1)NC(=O)CCS2 25441154 GLWWRCHCIKJCPG-NSHDSACASA-N 304.415 3.136 0 40 DGAB Cc1ccc(NC(=O)Cn2c(=O)cc(C)c3ccccc32)cc1 32530288 AHCWDEYIGDOGEA-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1F)c1cccnc1Cl 32895078 MUYZLIBEGONZMV-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB CC(C)(C)c1noc(CCCC(=O)NCc2ccc(F)cc2)n1 33149066 AHMXAIOLMJDTPE-UHFFFAOYSA-N 319.380 3.145 0 40 DGAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc(F)c(F)c1 33198933 XUCBRWYHCDUIBT-UHFFFAOYSA-N 318.323 3.195 0 40 DGAB Cc1ccc(C[C@H](CC(=O)NC2CCCCC2)C(=O)O)cc1 35141879 UJRVYOJSKPTIKX-OAHLLOKOSA-N 303.402 3.077 0 40 DGAB COc1ccc(C2=NO[C@@](C)(C(=O)Nc3ccccc3)C2)cc1 35971956 ZKPSLLKPFKQSFU-GOSISDBHSA-N 310.353 3.217 0 40 DGAB Cc1cc(C(=O)Nc2nc(C)c(C)s2)c2c(C)noc2n1 36357120 WSVUKYZYAGSNMC-UHFFFAOYSA-N 302.359 3.165 0 40 DGAB Cc1cccc(CS(=O)(=O)c2nc3ccccc3nc2C)c1 40152231 IVRMPHMNONSMBK-UHFFFAOYSA-N 312.394 3.221 0 40 DGAB C/C(=C\c1cc(Br)cc(Br)c1O)CO 40544601 HGMXMYCMNDOUQN-QHHAFSJGSA-N 321.996 3.313 0 40 DGAB O=C(COc1ccc(F)cc1)N1CCSc2ccccc21 41155194 VHHUKFIDKIHKEJ-UHFFFAOYSA-N 303.358 3.343 0 40 DGAB COc1cccc(CNC(=O)N2CCC[C@H]2c2cc(C)on2)c1 42300808 OTXFPLQNQRFBCX-INIZCTEOSA-N 315.373 3.038 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NCc1ccc(Cl)cc1 42646060 GCPCJLYRFASHCD-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Cc1ccc(OCC(=O)NCc2cccc(OC(C)C)c2)cc1 46655464 ALWKBDBITQHOAL-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccccc2Cl)c(C)c1O 47383648 AWWCVKWDIFFJEW-UHFFFAOYSA-N 311.790 3.463 0 40 DGAB CCCCOCCCNC(=O)Nc1ccc(OC)c(OC)c1 48333629 GYBGNAYFIXRPRU-UHFFFAOYSA-N 310.394 3.032 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)O 48382422 RGQWVNYADJZTDK-ZIAGYGMSSA-N 317.385 3.389 0 40 DGAB C[C@H]1C[C@H](Sc2nnc(NC3CCCCC3)s2)C(=O)O1 49304910 JSOQBLOIFCWOFG-WPRPVWTQSA-N 313.448 3.079 0 40 DGAB O=C(O)/C(=C/c1cccc(O)c1)Sc1nc2ccccc2[nH]1 50547771 MHQQJGPFZOREMZ-ZROIWOOFSA-N 312.350 3.486 0 40 DGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1Cc1cccc(C(N)=O)c1 53264384 ASCUJGUZTZYGRJ-CYBMUJFWSA-N 319.408 3.386 0 40 DGAB COc1c(F)cc(NCC(=O)N[C@@H]2CCCC[C@H]2C)cc1F 55893658 RKBZQYMVHUHOQK-QMTHXVAHSA-N 312.360 3.080 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cc(F)ccc2F)c1 57472212 NEDJYBJFPPWWQT-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB O=c1c2ccccc2nc(Cc2ccccc2)n1-c1cccnc1 58160300 PWZLXRXWLQSLME-UHFFFAOYSA-N 313.360 3.372 0 40 DGAB CCOCCCNC(=O)c1ccc(CN(CC)C(C)C)cc1 58393865 PBUUFAVZKQPVRF-UHFFFAOYSA-N 306.450 3.073 0 40 DGAB O=C(c1c(F)cccc1F)N1CCC(Nc2cccnc2)CC1 68338601 QLBLQLAWVWHTPD-UHFFFAOYSA-N 317.339 3.077 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H](n3cccn3)C2)c(C)o1 69432658 SQVHBIMYCIGUEE-DZGCQCFKSA-N 301.390 3.060 0 40 DGAB CCN(CC)CC1CCN(C(=O)Nc2cccc(OC)c2)CC1 69658081 WLEDFIRLJUUZOW-UHFFFAOYSA-N 319.449 3.281 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCc1ccsc1 69928428 IBLDNLKYZPTINU-HOTGVXAUSA-N 306.475 3.156 0 40 DGAB O=C(CCn1ncc(=O)c2ccccc21)OC1CCCCCC1 70018738 ZALOTOFOAAALPH-UHFFFAOYSA-N 314.385 3.053 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2ccccc12 71859629 OQGQDXPQGUSBCL-INIZCTEOSA-N 307.401 3.322 0 40 DGAB Cc1cnn(CCNCc2coc(-c3ccccc3Cl)n2)c1 71872138 GMKSYSAPCJJNGG-UHFFFAOYSA-N 316.792 3.290 0 40 DGAB Cc1noc(C)c1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 71903513 DVYACFKLTAHWCX-SECBINFHSA-N 312.728 3.490 0 40 DGAB C[C@@H](c1ccccn1)N1CCC[C@H](CNC(=O)OC(C)(C)C)C1 72203777 RJJBZKVBRLYUMB-LSDHHAIUSA-N 319.449 3.379 0 40 DGAB NC(=S)Nc1cccc(NC(=O)c2cc3ccccc3o2)c1 72229667 UYPKRMZKAWOLPL-UHFFFAOYSA-N 311.366 3.341 0 40 DGAB COc1cccc(-c2[nH]ncc2C(=O)NCc2cccs2)c1 72329229 DUSILYRJYMNQLZ-UHFFFAOYSA-N 313.382 3.077 0 40 DGAB CC(=O)N1CCC(c2nccnc2Oc2cccc(C)c2)CC1 72361736 BMXWWCVRYWZVAC-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB CCc1ccc(C(=O)OC2CCN(CC(F)(F)F)CC2)o1 78984784 QZAKGFWOWMFOBO-UHFFFAOYSA-N 305.296 3.026 0 40 DGAB Cc1cscc1C(=O)N(C[C@@H]1CCCO1)[C@@H]1CCSC1 84271472 MIGMMVUGYACSMA-OLZOCXBDSA-N 311.472 3.183 0 40 DGAB Cc1ccncc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 85235483 PDWYEBLDIMURCJ-UHFFFAOYSA-N 304.415 3.488 0 40 DGAB O=C(N[C@@H](c1ccccc1)c1cccc(F)c1)[C@@H]1CCCOC1 88262920 SBDISEIDECPEAX-AEFFLSMTSA-N 313.372 3.458 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2cnc3ccccn23)C1 89275165 PWIMUTJIMXXYNB-CYBMUJFWSA-N 303.431 3.082 0 40 DGAB COc1ccccc1[C@H](N[C@H]1CCC(=O)N(C)C1)C1CCCC1 91344099 AKEWYXYTFMEQLO-HNAYVOBHSA-N 316.445 3.137 0 40 DGAB Cc1cc(C)n(Cc2cccc(NCc3ccc(CO)o3)c2)n1 95429073 LKXYRYIUZRAURF-UHFFFAOYSA-N 311.385 3.246 0 40 DGAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)s3)O2)n1 96041071 IZUWLZNLHGCSPZ-RBSFLKMASA-N 319.430 3.243 0 40 DGAB C[C@H]1CN(C(=O)CCCc2ccccn2)[C@H](c2ccccc2)CO1 96433362 RFIQVSBLRLLTQP-LPHOPBHVSA-N 324.424 3.393 0 40 DGAB CSC[C@H](C)NC(=O)N1CCCCC[C@H]1c1c(C)n[nH]c1C 97080512 SWRSFOCVTOFXMA-FZMZJTMJSA-N 324.494 3.405 0 40 DGAB Cc1nccn1-c1ccc([C@@H](C)NCc2noc(C3CC3)n2)cc1 97081915 QJAQKHSEMYNUOJ-GFCCVEGCSA-N 323.400 3.292 0 40 DGAB COC(=O)c1ccccc1COc1ccccc1-c1nnco1 97085710 PMCIYAXBPYNUFT-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB O=C([C@@H]1CCCO1)N1CCC[C@@]1(c1ccccc1)C(F)(F)F 97102346 RYIFKXLTTVTGPT-DZGCQCFKSA-N 313.319 3.246 0 40 DGAB C[C@]1(c2cc(-c3cncnc3)c(F)cc2F)CCSC(N)=N1 98091479 MJQMRGWYPNIERM-OAHLLOKOSA-N 320.368 3.089 0 40 DGAB in-vitro COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCc1ccc(OC)cc1 106902048 RDABJEJOYXEODW-NJAFHUGGSA-N 317.429 3.044 0 40 DGAB O=C1Nc2c(F)cccc2C12CCN(Cc1ccccc1)CC2 109839122 PCGXLOFCVPZVAZ-UHFFFAOYSA-N 310.372 3.312 0 40 DGAB COc1ccccc1C(=O)n1c(C)c(C(=O)O)c2ccccc21 216955740 WABKFBFRYMPBDY-UHFFFAOYSA-N 309.321 3.345 0 40 DGAB COCCCNC(=S)Nc1nc(C)c(Cl)cc1Cl 223887472 OKESLVMPFVNZDH-UHFFFAOYSA-N 308.234 3.020 0 40 DGAB Cc1csc(C(=O)NCC2CCN([C@H]3CCSC3)CC2)c1 225567322 DDURZXLPHYKYBC-AWEZNQCLSA-N 324.515 3.004 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc3c(c2)OCO3)cc1C 225874200 PTKXHDOGJAPBGB-UHFFFAOYSA-N 313.353 3.304 0 40 DGAB CCc1nc(CN2C[C@H](c3ccc(OC)cc3)C[C@H]2C)no1 245338722 OAHQNRCJGAQHCL-TZMCWYRMSA-N 301.390 3.019 0 40 DGAB C[C@@H]1C[C@H]1c1cc(NC(=O)Nc2cnn([C@H](C)C3CC3)c2)[nH]n1 249003632 IUASQQVBKFVKKV-GIPNMCIBSA-N 314.393 3.345 0 40 DGAB O=C(c1c[nH]cn1)N1CCC[C@H](Cc2cccc3cccnc23)C1 257210344 BUFAMDSPJVJNJJ-CQSZACIVSA-N 320.396 3.053 0 40 DGAB Cc1cncc(C2CCN(C(=O)c3ccc4c(c3)CCC4)CC2)n1 257216355 CUEUHFPCBMJEGG-UHFFFAOYSA-N 321.424 3.294 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@H](c4ccn[nH]4)C3)coc2c1 257259921 LAQZGSOFJIKQLN-ZDUSSCGKSA-N 309.369 3.023 0 40 DGAB COc1ccccc1CC(=O)N1CCC(Cc2ccncc2)CC1 257301530 RYWLHIHDUYURKP-UHFFFAOYSA-N 324.424 3.114 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)CC3(O)CCCCC3)C2)s1 257308051 TVFMCPFGRCVXEZ-CQSZACIVSA-N 322.474 3.243 0 40 DGAB CC(C)c1cc(NC(=O)N[C@@H]2CCN(c3ccccc3)C2)no1 266347932 CZRGYMJAVGOTET-CYBMUJFWSA-N 314.389 3.198 0 40 DGAB CCC[C@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408588888 ZZHXDVAYXWSUGL-JTQLQIEISA-N 305.827 3.206 0 40 DGAB CCCN1C(=O)N/C(=C/c2cc(Cl)c(O)c(Cl)c2)C1=O 409248861 RUCGRFPWLFFZGM-UXBLZVDNSA-N 315.156 3.002 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccsc1)N1CCC[C@@H](OC(F)F)C1 529000917 UAKDYZZJQTWOEA-GRYCIOLGSA-N 301.358 3.082 0 40 DGAB Cc1csc([C@H]2COCCN2CC2Cc3ccccc3C2)n1 585085037 NPTBIDPZNWHDKN-QGZVFWFLSA-N 314.454 3.240 0 40 DGAB Cn1nccc1-c1csc(-c2ccc(N3CCCC3)nc2)n1 585090651 IYBHFBXHHFOSHQ-UHFFFAOYSA-N 311.414 3.206 0 40 DGAB Cc1cc(N2CC[C@@H](Oc3ccncc3C)C2)nc(C2CC2)n1 1889095422 AMQLMTKXXFFRDB-OAHLLOKOSA-N 310.401 3.024 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)OC(C)C 136057 PRMUSLCYUHKRLC-CABCVRRESA-N 301.386 3.468 0 40 DGAB O=S(=O)(Nc1ccncc1)c1cc(Cl)ccc1Cl 854670 ZPLOIFNFWYUYER-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB O=S(=O)(NCc1ccccc1)c1cccc(C(F)(F)F)c1 3327468 AYLPMXBJOWBNTH-UHFFFAOYSA-N 315.316 3.184 0 40 DGAB CC(C)CNC(=O)COc1ccc(C(=O)c2ccccc2)cc1 3347936 XGNIMHDTIBIDLT-UHFFFAOYSA-N 311.381 3.069 0 40 DGAB O=C(c1ccco1)N1CCN=C1SCc1ccc(F)cc1 4119974 MDOIIYGQVCFJMK-UHFFFAOYSA-N 304.346 3.164 0 40 DGAB c1ccc(OCc2nnc3n2N=C(c2ccccc2)CS3)cc1 4569857 OGBLILIOLBZJAL-UHFFFAOYSA-N 322.393 3.215 0 40 DGAB CCC(=O)N(CCN(CC)CC)c1nc2ccccc2s1 4585315 SSPYAWNZMMVCOY-UHFFFAOYSA-N 305.447 3.381 0 40 DGAB CC[C@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2)c1ccccc1 4651100 NXKDKEVNETWTOP-CWVYHPPDSA-N 301.386 3.001 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccco3)c2[C@H]1c1cccnc1 4910120 NTQBRXFXOAYKEK-MRXNPFEDSA-N 308.341 3.020 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc(N2CCCC2=O)cc1 5439875 IPCPEHXTYLAYMP-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB CCn1c(SCC(=O)OC(C)C)nnc1-c1ccc(C)cc1 5501568 NJWKUSIGOMWFJW-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB CCOC(=O)c1cc(C(=O)OCC)c2cccc3cccc1-n-3-2 5759812 BHHHCTJNNXHATC-UHFFFAOYSA-N 311.337 3.373 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(F)cc1 7405017 FEKDVNXQFHESJQ-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Cc1ccc(SCC(=O)NCCOc2ccccc2)cc1 8391317 VXNTUUSEJMZMRJ-UHFFFAOYSA-N 301.411 3.282 0 40 DGAB C[C@@H](Cc1nnc(NC(=O)[C@@H]2CCCO2)s1)c1ccccc1 9095489 YFQCLJUNCTZTLO-AAEUAGOBSA-N 317.414 3.002 0 40 DGAB Cc1cc(OCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)no1 9153928 OCCJQPUYSRRXFY-QLFDAEIZSA-N 318.417 3.083 0 40 DGAB COc1cc(NC(=O)c2ccc(N(C)C)cc2)cc(OC)c1 9156524 DQBQMGJYYVBODS-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB NC(=O)c1ccc(NC(=O)CCc2ccccc2Cl)cc1 10457567 LWGKAXHHNHXSPO-UHFFFAOYSA-N 302.761 3.010 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)c1cnc2ccccc2n1 10542535 PWMGUGUWCBYBAX-UHFFFAOYSA-N 319.364 3.231 0 40 DGAB O=C(Nc1ccncc1)c1cc2nccc(-c3cccs3)n2n1 13643895 WWPMJZZMHWNAAJ-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB O=C(CCc1ccc(F)cc1)Nc1nccc(-c2ccco2)n1 13644784 NQLQMMCEZRXVIG-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CCOc1cc(Br)c(/C=C/C(=O)O)cc1OCC 13747604 ZVWUODZHGDHPNZ-AATRIKPKSA-N 315.163 3.344 0 40 DGAB CSc1ccccc1NS(=O)(=O)c1ccc(F)cc1F 14257201 VEMMXJRZRBIBOT-UHFFFAOYSA-N 315.366 3.488 0 40 DGAB Cc1cc(C)cc(NC(=O)CCNC(=O)Nc2ccccc2)c1 15076467 CINFJRJQRYPYEE-UHFFFAOYSA-N 311.385 3.454 0 40 DGAB Cc1c(C(=O)C(=O)N2[C@@H](C)CCC[C@H]2C)c2ccccc2n1C 18210530 HGWUDJQFEMKJJU-BETUJISGSA-N 312.413 3.459 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2NC1CCCCCC1 20227189 MRFGOWFWQJTXTP-INIZCTEOSA-N 305.374 3.185 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)CNc1cc(F)cc(F)c1 23626684 JGBGMBHHMOPLOQ-LLVKDONJSA-N 320.339 3.263 0 40 DGAB CCCCCC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1 25612334 GQKRNOKONAMHGC-UHFFFAOYSA-N 317.433 3.295 0 40 DGAB C[C@H](NC(=O)c1ccncc1)c1ccc(OC(F)(F)F)cc1 31953629 SEYBIAZGWJKHAH-JTQLQIEISA-N 310.275 3.471 0 40 DGAB Cc1ccc(NC(=O)CCCc2nnc(-c3ccccc3)o2)nc1 32488957 CMVXMALLHADVSG-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB COc1ccc2c(Nc3ccc(OC)c(OC)c3)ncnc2c1 32544439 VEPJOMSAVKYHHT-UHFFFAOYSA-N 311.341 3.399 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccn(C3CCCC3)n2)c1 32611576 QVLYEPHDXFFQMW-UHFFFAOYSA-N 315.373 3.268 0 40 DGAB Nc1nc(SC[C@@H](O)c2ccccc2)nc2sccc12 32854202 IKPPVHVKDQVAJX-LLVKDONJSA-N 303.412 3.099 0 40 DGAB COCCOCC(=O)Nc1cc(Cl)c(Cl)cc1Cl 32869030 YGCDICLKIPQIPE-UHFFFAOYSA-N 312.580 3.248 0 40 DGAB Cc1cc2nnc(SC[C@@H]3CC3(Cl)Cl)n2c(C)n1 33032818 JUHJYZIBZJLFPU-QMMMGPOBSA-N 303.218 3.027 0 40 DGAB C[C@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccccc12 35877798 BMFCCEQNFFZBBI-YUNKPMOVSA-N 317.392 3.288 0 40 DGAB biogenic Cc1ccc(-c2cc(C(=O)Nc3nnc(C)s3)on2)cc1 36393634 HDAIKNKLZFMVOG-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB Nc1ccc(Nc2ccc(Br)cc2)c(C(=O)O)c1 37930513 ZNUYXCLKMVSWOE-UHFFFAOYSA-N 307.147 3.473 0 40 DGAB CC(=O)c1ccc(C(=O)NCCO[C@@H]2CCCC[C@H]2C)s1 40108255 OAUDDEDJQSCFFI-DGCLKSJQSA-N 309.431 3.276 0 40 DGAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@H]2C)ccc1F 41096613 KNJHDBNYVXPNNH-GFCCVEGCSA-N 305.374 3.274 0 40 DGAB O=S(=O)(Nc1cccc(N2CCCC2)c1)c1cccs1 41371814 WVVAORIJLCOFPX-UHFFFAOYSA-N 308.428 3.149 0 40 DGAB O=C(NCCCOCC1CC1)Nc1ccccc1N1CCCC1 43485652 NTEQSSVVRKSGPC-UHFFFAOYSA-N 317.433 3.225 0 40 DGAB CCc1noc([C@@H](C)N2CCC([C@@H](O)c3ccccc3)CC2)n1 51531546 KJMVVFDDXLCOKX-DYVFJYSZSA-N 315.417 3.139 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56200642 QAMFLWPMEJPUET-SKDRFNHKSA-N 309.291 3.486 0 40 DGAB O=C(Nc1cc(F)ccc1F)[C@@H](c1ccccc1)n1cccn1 58014326 KIGMHYSYJRJOIS-MRXNPFEDSA-N 313.307 3.389 0 40 DGAB Fc1cc(Br)ccc1OCc1nnc(C2CC2)o1 58145732 JOKGDNZZBYQILU-UHFFFAOYSA-N 313.126 3.428 0 40 DGAB CCSc1ccc(N[C@H](C)C(=O)N2CCC(C)CC2)cn1 63774137 LAILZWNARXCRHV-CYBMUJFWSA-N 307.463 3.253 0 40 DGAB Cc1ccc(-c2cc(Cn3ncc4ccccc4c3=O)on2)cc1 65585282 CNHNSEPMPMPRCK-UHFFFAOYSA-N 317.348 3.408 0 40 DGAB C[C@H](NC(=O)CNC(=O)OC(C)(C)C)c1cc2ccccc2o1 65622087 JHEQSLSJHJWALG-NSHDSACASA-N 318.373 3.135 0 40 DGAB C[C@H]1CN(C(=O)NC(C2CC2)C2CC2)C[C@@H](c2ccccc2)O1 67591099 XYRKAOROPKJVJK-GUYCJALGSA-N 314.429 3.347 0 40 DGAB C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NCc1cccnc1 69569216 PKTMYPWEJSKULX-NSHDSACASA-N 324.302 3.184 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3[C@H]3CCCN3C)cc2c1 69619094 QXGYKCFPGHBXPX-QZTJIDSGSA-N 311.429 3.175 0 40 DGAB C[C@H](c1ccccc1)[C@@H](CO)Nc1nccc(C(F)(F)F)n1 69669750 FGPBCDNXHYLMMT-ZYHUDNBSSA-N 311.307 3.072 0 40 DGAB O[C@@H](CNc1cncc(Cl)n1)c1cccc(C(F)(F)F)c1 69843736 DXRSFRVIISNYNH-JTQLQIEISA-N 317.698 3.294 0 40 DGAB Cc1noc([C@H](C)Nc2ccc(OCC(F)(F)F)cc2)n1 69897230 RXQSJXBUBUKQNV-QMMMGPOBSA-N 301.268 3.492 0 40 DGAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2cnn(C)c2C)S1 71288894 KIWYSLUDBDZOKH-GFCCVEGCSA-N 305.407 3.098 0 40 DGAB Cc1cccc(C2(NC(=O)NCc3ccnc(C)n3)CCCC2)c1 71799654 MGTDAWIONKPEQA-UHFFFAOYSA-N 324.428 3.362 0 40 DGAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CC[C@@H]1c1ccccc1 71820892 AVJJJBHWJZUUMI-QGZVFWFLSA-N 304.349 3.115 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@H]2CCCC[C@H]2C1 71835128 KIEKIZTUAAZXQH-CVEARBPZSA-N 324.424 3.040 0 40 DGAB Cc1cccc(C(=O)N2CCCN([C@@H](C)c3ccncc3)CC2)c1 71896956 QPMKSXIFOSFHMA-KRWDZBQOSA-N 323.440 3.299 0 40 DGAB CCc1ccc([C@@H](NC(=O)[C@H]2CCCN2C(C)=O)C(C)(C)C)o1 72285200 FDBHGJKWZVNEPO-GDBMZVCRSA-N 320.433 3.056 0 40 DGAB C[C@@H]1COc2ccccc2N1C(=O)Cc1ccc(Cl)nc1 72531975 CJPRIFCSCMUSIK-LLVKDONJSA-N 302.761 3.092 0 40 DGAB CN(Cc1ccc(-n2ccnc2)cc1)Cc1nccn1C(F)F 72765346 YDBZAXCSKDKRLB-UHFFFAOYSA-N 317.343 3.096 0 40 DGAB O=C(NCC1(CCO)CCCC1)Nc1cccc2cnccc12 72931495 XMYVQXLJCXQQNN-UHFFFAOYSA-N 313.401 3.299 0 40 DGAB CC[C@@H]1CCc2ccccc2N1C(=O)c1ccc2nnc(C)n2c1 75093909 IQSYCTUHJXBBRJ-MRXNPFEDSA-N 320.396 3.409 0 40 DGAB COc1ccc2ccccc2c1CNC(=O)Nc1nncs1 75949964 UMLMTGMRELRWLD-UHFFFAOYSA-N 314.370 3.022 0 40 DGAB CCc1ccc([C@@H]2C[C@@H](C)CCN2CCCS(C)(=O)=O)o1 76145161 MRQVKNAMOWTNDE-ZFWWWQNUSA-N 313.463 3.050 0 40 DGAB COc1ccc(CCC(=O)N(C(C)C)C2CCOCC2)cc1 78183058 LBPBIYNZGQRVPQ-UHFFFAOYSA-N 305.418 3.044 0 40 DGAB CNC(=O)c1cccnc1N1C[C@H](c2ccccc2C)C[C@@H]1C 78294481 VDXUVNRDBJLBAP-LSDHHAIUSA-N 309.413 3.132 0 40 DGAB CN(C(=O)c1ccncc1)c1ccc(CNc2ccccn2)cc1 78823897 IWKPXUXHARJKGR-UHFFFAOYSA-N 318.380 3.365 0 40 DGAB CS(=O)(=O)CCCN1CCCSc2ccc(Cl)cc21 79503473 VHKPBZZEWCFINQ-UHFFFAOYSA-N 319.879 3.077 0 40 DGAB CC(C)[C@H](C(=O)NCC1CC1)n1cnc2cc(F)c(F)cc21 84409200 SYFSBLVVAQNRSF-OAHLLOKOSA-N 307.344 3.038 0 40 DGAB Nc1ccc(-c2nnc(COc3ccc(F)cc3F)o2)cc1 85386065 JUHRZPFONXPINB-UHFFFAOYSA-N 303.268 3.176 0 40 DGAB Cc1cnn(C2CN(Cc3csc(-c4cccs4)n3)C2)c1 89702465 FFVFYSNHSMXAHG-UHFFFAOYSA-N 316.455 3.433 0 40 DGAB O=C(N[C@H](CCO)c1ccccc1)c1cc(Cl)c(Cl)[nH]1 89826272 TUSPNECKNQUPNN-LLVKDONJSA-N 313.184 3.175 0 40 DGAB Cc1ccc2c(c1)[C@H](NC[C@@H]1COC3(CCCC3)O1)CCCO2 95459718 OUSOHJLNENTHGC-NVXWUHKLSA-N 317.429 3.484 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C)s2)C1 95961903 XKMKDQCSNLPPDI-NEPJUHHUSA-N 319.517 3.351 0 40 DGAB C[C@@H](N[C@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 95968492 HHTLSUVGQNATNS-OCCSQVGLSA-N 302.349 3.453 0 40 DGAB CC(=O)NC(C)(C)c1noc(-c2cc3c(s2)CCCC3)n1 96406064 NCQORJOYAZCGSZ-UHFFFAOYSA-N 305.403 3.048 0 40 DGAB Cc1cc(C(=O)Nc2nccn2Cc2ccccc2Cl)no1 96406403 OOZNKNJZBVBJBJ-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB Cc1c(C[S@@](C)=O)cccc1NC(=O)c1cc(Cl)ccn1 96408334 HYKHEWXXZDWRCD-NRFANRHFSA-N 322.817 3.174 0 40 DGAB COC(=O)c1ccc(N[C@H](C)c2csc(C(C)C)n2)nn1 96458995 MJKGDZOPSWDLAT-SECBINFHSA-N 306.391 3.016 0 40 DGAB O=C(N[C@@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cscn1 96490917 XQYFMRBLLGVZIZ-YPMHNXCESA-N 308.790 3.057 0 40 DGAB CCn1cc(C2CCN(C(=O)Nc3cccc(C)n3)CC2)cn1 97142727 GVTBDSWMNJPEEI-UHFFFAOYSA-N 313.405 3.018 0 40 DGAB CCn1cc(C2CCN([C@H](C)c3nc(C4CC4)no3)CC2)cn1 97203652 JOPLDIUBMTWIFV-GFCCVEGCSA-N 315.421 3.104 0 40 DGAB CCN(Cc1ccccc1NC1CCN(C(C)C)CC1)C(C)=O 97238253 WQZAHTWCSZOUNP-UHFFFAOYSA-N 317.477 3.340 0 40 DGAB COc1cccc(Cl)c1CC(=O)N[C@@H](C)c1c(C)noc1C 97378311 CZXMZKWJOMKBHD-VIFPVBQESA-N 322.792 3.373 0 40 DGAB Cc1cccc(-c2nn3c(O)cc(-c4cnn(C)c4)nc3c2C)c1 100776344 KPCRGTZQZCYWJP-UHFFFAOYSA-N 319.368 3.119 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)OCCO2)[C@H]1C[C@@H]2CC[C@@H]1C2 101488430 IMJGMASRFMEFGF-KYEXWDHISA-N 301.386 3.012 0 40 DGAB C[C@@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@H]2C[C@H]1C2(C)C 102597276 OGHLSNKDEIODIH-MXYBEHONSA-N 302.418 3.375 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CC[C@H](C)[C@H]2CCCC[C@H]21 106823046 YGVHLGWIBPQMQF-XGWLTEMNSA-N 303.450 3.007 0 40 DGAB COc1cccc(OC)c1C(=O)N[C@@H](C)c1ccc(F)cc1 216463901 IXDZUFFIRHBRCO-NSHDSACASA-N 303.333 3.334 0 40 DGAB COC(=O)CCc1ccc2c(c1)CCCN2C(=O)OC(C)(C)C 217775750 UBQSJUOAKPQITJ-UHFFFAOYSA-N 319.401 3.480 0 40 DGAB Cc1cc(C)c([C@H](C)NS(=O)(=O)c2c(C)noc2C)cc1C 223499807 OPZMXAAXJOUUDC-LBPRGKRZSA-N 322.430 3.256 0 40 DGAB CCNC(=S)Nc1ncc(Cl)c(C)c1Br 223866897 CYUHWJJXSGBXAV-UHFFFAOYSA-N 308.632 3.112 0 40 DGAB CCc1ccccc1C[C@@H](Oc1ccc(OC)cc1)C(=O)O 225040667 ARPNQRZTWZZQGY-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB COc1ccc([C@@H](CC(=O)O)CC(=O)NC2CCCCC2)cc1 226750569 AJSUSFSQXWTXCO-CQSZACIVSA-N 319.401 3.093 0 40 DGAB CN1CCC[C@@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 257293968 QRWXPGJKAJPCGF-QGZVFWFLSA-N 301.434 3.255 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cc(F)cc(F)c3)C2)n1 257319862 VUJDOJQOSPEFOC-LLVKDONJSA-N 305.328 3.016 0 40 DGAB Clc1cnc(N2CCN(c3cccc(Cl)c3)CC2)nc1 479479217 IUONHNYTUPCJTL-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@H]2CC[C@H]2c2ccc(F)cc2)cnn1C 527888333 XBVVQIFJLLFJIO-UVBJJODRSA-N 315.392 3.239 0 40 DGAB COc1ccc2c(c1)[C@@H](NC(=O)c1cc3ccccn3c1)CCO2 547370052 WYWPSEPMCZHDKW-KRWDZBQOSA-N 322.364 3.202 0 40 DGAB O=C(NCc1ccc(-c2ccoc2)nc1)OCc1ccccn1 575414398 ITSZLYDXJPMXNX-UHFFFAOYSA-N 309.325 3.163 0 40 DGAB O=C1CC[C@H](C(=O)N2CCCC[C@@H]2c2ccco2)n2cccc21 578292453 WBCSTFHBJNUCEH-HUUCEWRRSA-N 312.369 3.353 0 40 DGAB CCn1nncc1C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1 581592121 CINIIFLAOXWTIA-MRXNPFEDSA-N 310.401 3.056 0 40 DGAB CC(C)(C(=O)Cn1cnc2ccc(F)cc2c1=O)c1ccccc1 585079684 CSBUPHAWJZZXHH-UHFFFAOYSA-N 324.355 3.083 0 40 DGAB C=CC(=O)N1CCC[C@@H]1c1csc(Nc2ccc(C)cn2)n1 585292653 PZUULPGRNCYYNV-CYBMUJFWSA-N 314.414 3.440 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@@H]2CCCO2)CC1 1849465742 IESSAJCLHULOKE-AWEZNQCLSA-N 310.825 3.005 0 40 DGAB C[C@H]1Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2[C@H]1C 2298092137 FVDKDYKMIDIVEI-NWDGAFQWSA-N 306.365 3.400 0 40 DGAB COc1ccc(-n2nc3cc(C)c(NC(=O)C(C)C)cc3n2)cc1 170240 DLLSRTZFILREBO-UHFFFAOYSA-N 324.384 3.332 0 40 DGAB Oc1ccc(Cl)cc1-c1nc2c3cc(F)ccc3ncn2n1 61720729 VUISRHDUWZSIEB-UHFFFAOYSA-N 314.707 3.443 0 40 DGAB Cc1cc(C)nc(NC(=O)N2CCO[C@H](c3ccsc3)C2)c1 97143108 ZTSYWOPWMNUOAC-AWEZNQCLSA-N 317.414 3.365 0 40 DGAB CCCc1nnc(NC(=O)c2cc(Cl)ccc2OC)s1 815580 ZFTVLIZWQQAYAC-UHFFFAOYSA-N 311.794 3.405 0 40 DGAB Cc1nnc([C@@H](C)Nc2cnn(Cc3ccc(Cl)cc3)c2)o1 97140118 PVUWSQCABHQWQD-SNVBAGLBSA-N 317.780 3.449 0 40 DGAB O=C(c1ccccc1)C(CN1CCCCC1)CN1CCCCC1 1671259 CQDHXQRPRMXIBF-UHFFFAOYSA-N 314.473 3.457 0 40 DGAB C[n+]1ncc2ccccc2c1Cc1ccc(Br)cc1 1733195 YJWGXMNXJSBAQC-UHFFFAOYSA-N 314.206 3.413 0 40 DGAB CCOc1nnc(CNC2(c3nc(C)cs3)CCCC2)s1 78970534 XDYUWZYISZOACL-UHFFFAOYSA-N 324.475 3.261 0 40 DGAB Cc1ccc(CO)cc1NS(=O)(=O)c1cc2ccccc2o1 79060074 KJKVJUNIOWBAOT-UHFFFAOYSA-N 317.366 3.034 0 40 DGAB CC(C)n1cc(CCCC(=O)NCCN(C)C)c2ccccc21 79494686 VDQBAMGNBAMKIP-UHFFFAOYSA-N 315.461 3.223 0 40 DGAB COC(=O)[C@H](C)[C@H](NCc1ccncc1Cl)c1ccccc1 79937351 VVPSFNFNUQPEAP-WBMJQRKESA-N 318.804 3.375 0 40 DGAB c1ccc([C@H]2OCC[C@@H]2CNCc2nc3c(s2)CCC3)cc1 93076843 OOVYBKPGPMZVAB-RDTXWAMCSA-N 314.454 3.499 0 40 DGAB CCCCOCCCNS(=O)(=O)c1c(C)cc(C)cc1C 2727587 DGSMMSVNFOZRHR-UHFFFAOYSA-N 313.463 3.097 0 40 DGAB Cn1/c(=N\C(=O)CCC(=O)c2ccccc2)sc2ccccc21 104991938 LWDNZJVHXSQOPB-VHEBQXMUSA-N 324.405 3.330 0 40 DGAB O=c1c2ccccc2cnn1CN1CCC[C@@H]1C1CCCCC1 54549856 ZDBICCCXIMIPQZ-GOSISDBHSA-N 311.429 3.399 0 40 DGAB CC(C)N(Cc1ccccc1)Cc1nc2ccccc2c(=O)[nH]1 24045322 NRRPYDADMUSRSD-UHFFFAOYSA-N 307.397 3.334 0 40 DGAB Cc1ccc(Oc2ccc(N3C[C@H](C(=O)O)CC3=O)cc2)cc1 7881365 KVSNULQUDORQDS-CYBMUJFWSA-N 311.337 3.225 0 40 DGAB C[C@@]12CNC[C@](C)(CN(Cc3ccccc3Br)C1)C2 100542959 ZUVCCRBFBIACET-HZPDHXFCSA-N 323.278 3.271 0 40 DGAB c1cncc([C@H]2C[C@H]2c2nc(-c3ccc4c(c3)OCO4)no2)c1 95394476 ROXLDVGNSVUNAQ-CHWSQXEVSA-N 307.309 3.131 0 40 DGAB FC(F)(F)CNc1nnc(SC[C@H]2CCCCO2)s1 57773374 SPNZOGICJWISGC-SSDOTTSWSA-N 313.370 3.174 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)NCc1cccs1)[C@H]2C(=O)O 101448126 OBPHHSJTTNHASM-VIRABCJISA-N 319.426 3.058 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2[C@@H](C)NC(=O)c2ccc(C(N)=O)cc2)c1 58290193 XTCGKIZYARCPSC-BVGQSLNGSA-N 322.408 3.016 0 40 DGAB C[C@H]1Sc2ccc(C(=O)NCC3CCCCC3)cc2NC1=O 12623493 JUFGCRAXVKIOLM-LLVKDONJSA-N 318.442 3.429 0 40 DGAB Cc1cn2c(CN(C)C(=O)C3[C@H]4CCC[C@H]34)c(C)nc2s1 104322687 SLXMVPPQSGOATC-RYUDHWBXSA-N 303.431 3.017 0 40 DGAB CCOc1cccc([C@H](C)N[C@H](C)C(=O)Nc2cc(C)no2)c1 58332158 ZSDPQGCGOFONIW-QWHCGFSZSA-N 317.389 3.060 0 40 DGAB Cc1cccc(C(=O)NC[C@](O)(c2ccccc2)C(F)(F)F)c1 58313913 CZEWBFFADPBTSH-INIZCTEOSA-N 323.314 3.175 0 40 DGAB C[C@@H](N[C@@H]1CCCSC1)c1cc2c(s1)SCC(=O)N2 97234805 KERVYLVYOCMPNI-RKDXNWHRSA-N 314.501 3.339 0 40 DGAB C[C@H]1CCc2nc3ccccc3c(C(=O)NC[C@@H]3CCCO3)c2C1 36770132 MDVPPOPTIVEUGX-KBPBESRZSA-N 324.424 3.268 0 40 DGAB CCOC(=O)CCCCCC(=O)c1cccc(OC)c1OC 2580420 CTMQVKWRRPDODQ-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB C[C@@H](NC(=O)CCOc1ccccc1Cl)c1ccccn1 46144805 NILXMXNPFLNXQX-GFCCVEGCSA-N 304.777 3.381 0 40 DGAB Cc1ccc(NC(=O)Nc2ccn(CCc3ccncc3)n2)cc1 60297040 TXZHWTFDHYDPHX-UHFFFAOYSA-N 321.384 3.473 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccccc1C 60101671 HUUJNRGRNUTRNG-KRWDZBQOSA-N 322.364 3.421 0 40 DGAB CC(C)(C)C[C@@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 38083629 CZMHJJDBNJLLPE-GDBMZVCRSA-N 309.475 3.188 0 40 DGAB CN1CCN(c2ccc(NC(=O)Oc3ccccc3)cc2)CC1 4052822 PKYRNWZXBAGHSM-UHFFFAOYSA-N 311.385 3.049 0 40 DGAB CCOC(=O)c1sc(NCc2ccccc2OC)nc1C 5156702 QRXIYFSUSQXPEW-UHFFFAOYSA-N 306.387 3.249 0 40 DGAB Clc1cc(Br)ccc1OCC1CCNCC1 39953916 LUONCHIFMJPSGP-UHFFFAOYSA-N 304.615 3.481 0 40 DGAB COc1ccc(NC(=O)CSc2ncc3ccccn23)cc1 14095024 NEDYVNHQNLSDOC-UHFFFAOYSA-N 313.382 3.074 0 40 DGAB Cc1ccc(-c2cc(C(=O)Nc3ccc4c(c3)OCO4)n[nH]2)cc1 14180294 KHQOLFNDOFWAPZ-UHFFFAOYSA-N 321.336 3.366 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)SCc2cc(C)no2)cc1 14185263 HWYGPLHDZRYQQM-LLVKDONJSA-N 306.387 3.252 0 40 DGAB CCC[C@H](NC(=O)CC1CCCC1)c1nnc2ccccn12 65624647 MIRDARYHYJIINE-AWEZNQCLSA-N 300.406 3.267 0 40 DGAB Cc1cc(C)nc(NC(=O)COc2ccc3ccccc3c2)n1 4666359 NOARXGWSDIKPDB-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB O=C([C@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCCCC1 4746186 HXGMJPIMGMMQTP-KRWDZBQOSA-N 318.436 3.440 0 40 DGAB C[C@H](NC1CCN(C)CC1)c1cc(Br)ccc1F 95419516 KXXHGIJZLUENBY-JTQLQIEISA-N 315.230 3.333 0 40 DGAB O=[S@](Cc1csc(-c2ncccn2)n1)CC1CCCCC1 96403878 WAOBCOKWFPMSQU-OAQYLSRUSA-N 321.471 3.429 0 40 DGAB CCNc1nc(SCC(=O)c2ccc[nH]2)nc2ccccc12 16397385 DDEBOPTUNIPLFT-UHFFFAOYSA-N 312.398 3.365 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)N[C@H]1CCCC[C@@H]1C 68962514 QKTWLKCUOBOGPG-ZFWWWQNUSA-N 317.433 3.060 0 40 DGAB COc1ccc(C(=S)NCc2cccc(C)c2)cc1OC 408578832 ZNNUTOOVCRXNCQ-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N2CC=C(c3ccccc3)CC2)no1 8377865 VCORARHFICTBCR-CQSZACIVSA-N 311.385 3.099 0 40 DGAB C[C@@H](CN(C(=O)C1CCC1)c1ccccc1)NC(=O)C1CCC1 69743106 COPDCZDNEXEOOW-AWEZNQCLSA-N 314.429 3.125 0 40 DGAB O=C(Cc1ccccc1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8915004 YLKHKAVDADBPSR-UHFFFAOYSA-N 317.392 3.204 0 40 DGAB Cc1nc(C[C@H]2CCCN(Cc3c(F)cccc3F)C2)no1 92814312 MBXSAIMYKFDNAR-GFCCVEGCSA-N 307.344 3.111 0 40 DGAB COCCCCC(=O)Nc1ccc(Br)c(F)c1 72296891 RNCRPVNQRPHVLY-UHFFFAOYSA-N 304.159 3.343 0 40 DGAB Cc1ccn(C)c(=O)c1NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1 75108891 RGTJBDNDUSNPQL-UONOGXRCSA-N 316.788 3.089 0 40 DGAB COc1cccc(CNC(=O)CCn2ccc3ccccc32)c1 21870034 HMCILXCHOXRMCH-UHFFFAOYSA-N 308.381 3.356 0 40 DGAB O=C(Cc1ccon1)N1CCCSc2ccc(Cl)cc21 89807091 KOCBTQMTOLMBFS-UHFFFAOYSA-N 308.790 3.400 0 40 DGAB CC[C@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(N)=O 76084442 MLAJAIOTFDMJRE-ZDUSSCGKSA-N 305.765 3.203 0 40 DGAB C[C@H]1CN(C(=O)NCc2cnc3n2CCCC3)c2ccccc21 519453068 SBOWGTJSQDAWEB-ZDUSSCGKSA-N 310.401 3.053 0 40 DGAB CC(=O)N1N=C(c2nc3ccccc3n2C)C[C@@H]1c1ccc(C)o1 32935068 QMPAOSKERSPUDC-MRXNPFEDSA-N 322.368 3.172 0 40 DGAB Cc1c(C(=O)Nc2cccc(C(F)(F)F)c2)cnc2ccnn12 38829545 YVQGGSJENHNJGB-UHFFFAOYSA-N 320.274 3.309 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79349507 QTRBLQAQEKATLG-RDTXWAMCSA-N 316.449 3.321 0 40 DGAB Nc1cc(C(=O)Nc2cccc(F)c2)ccc1Br 32211166 DWPWSKMMJXEBTL-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB O=C(O)c1ccc2nc(-c3cncc(Br)c3)[nH]c2c1 37400889 UPIFBGVVBLMHNL-UHFFFAOYSA-N 318.130 3.086 0 40 DGAB NC(=O)c1c(NC(=O)Nc2cccc(F)c2)sc2c1CCC2 72243025 XWXPLKSXVMMEJH-UHFFFAOYSA-N 319.361 3.119 0 40 DGAB O=C(NCc1ccccc1Cl)c1ccc(Cn2cccn2)o1 32610978 ZFGMEOSGFHGDEU-UHFFFAOYSA-N 315.760 3.108 0 40 DGAB Cc1ccc(-c2nnsc2C(=O)N2CCC(C)CC2)cc1 225775331 MLIGYXOSVWKYGW-UHFFFAOYSA-N 301.415 3.386 0 40 DGAB Cc1cccc2c1cnn2CCC(=O)NCc1ccccc1F 40758425 VHWOSZKCFNYKFY-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N[C@H]2CCCC[C@@H]2CO)c1 81612934 VEVKTKBOYYZOFX-XPKDYRNWSA-N 306.406 3.067 0 40 DGAB CCOc1ccccc1[C@H](C)NC(=O)[C@H](O)C1CCCCC1 331245244 RJASYMZOWRIHRU-SUMWQHHRSA-N 305.418 3.204 0 40 DGAB CCOC(=O)c1ccc(N2CCCC2=O)c(C(F)(F)F)c1 199818958 RNOIOHNXIUKXIE-UHFFFAOYSA-N 301.264 3.009 0 40 DGAB C[C@@H](CNC(=O)N[C@H](C)c1ccncc1)Cc1cccs1 96437644 BTZWVAUIASEOMF-CHWSQXEVSA-N 303.431 3.382 0 40 DGAB Cc1nc(C(C)C)oc1C(=O)N1CCC(OC2CCC2)CC1 333173998 OGNMGVUQGQICHK-UHFFFAOYSA-N 306.406 3.280 0 40 DGAB Cc1cccc(NC2CCN([C@@H](C(N)=O)c3ccccc3)CC2)c1 96421204 NPEAOEQWHUEBAI-LJQANCHMSA-N 323.440 3.098 0 40 DGAB C[C@H](C(=O)N(C)[C@H](C)c1ccncc1)N1CCc2ccccc2C1 96412360 QHTPDZYJNXSOTL-HZPDHXFCSA-N 323.440 3.048 0 40 DGAB Cc1noc(Cl)c1CC(=O)NCCc1cc2ccccc2o1 96417069 NUAREBFIHDKHAI-UHFFFAOYSA-N 318.760 3.284 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCCCC[C@H]2c2ccco2)o1 97231570 WEUYVFQLPPKOSO-NSHDSACASA-N 303.314 3.328 0 40 DGAB CC[C@@H](NC[C@H](CCO)c1ccccc1)c1ccc(OC)cn1 585085420 MAWWNWGMCAZGKB-FUHWJXTLSA-N 314.429 3.297 0 40 DGAB CC(C)(C)c1noc([C@@H]2CCCN2C(=O)c2cccs2)n1 585133760 UBQSVZZWCOANGX-JTQLQIEISA-N 305.403 3.406 0 40 DGAB CCc1ccc([C@H](C)NC(=O)N[C@H]2CCCC[C@H]2CO)cc1 246152722 HLXZBUQCAFATTJ-JQFCIGGWSA-N 304.434 3.160 0 40 DGAB Cc1cc(NC(=O)c2ccnc(-c3scnc3C)c2)no1 257291102 QFRFJBHHPODYIH-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB O=C(/C=C/c1cccs1)NCc1nccnc1-c1ccco1 390830902 OFXHWHZYOZMSDC-AATRIKPKSA-N 311.366 3.128 0 40 DGAB CO[C@@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccsc1 96363502 CMXWTBYNILPTCP-HNNXBMFYSA-N 319.401 3.423 0 40 DGAB O=C(Nc1cccnc1-n1cccn1)c1cccc2cccnc12 69843907 NULONTOVPJBMLZ-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@H]1CCCN(C(=O)CNc2cccc(Br)c2)C1 67849468 UHXBGMBNJQQPKR-NSHDSACASA-N 311.223 3.120 0 40 DGAB COc1cc(C)sc1C(=O)N[C@@H](C)c1nc2ccccc2[nH]1 70846599 NJCOSAAOUWSNAN-JTQLQIEISA-N 315.398 3.432 0 40 DGAB CC[C@H](Nc1cccc(NC(=O)CO)c1)c1ccc(F)cc1 71915835 VYJPNPRSHYNLRD-INIZCTEOSA-N 302.349 3.320 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)[C@H]1CC=CCC1 55453866 OOBNKOGIIGCOMQ-HNNXBMFYSA-N 317.404 3.346 0 40 DGAB O=C(Nc1ccc(C(F)(F)F)cc1)N[C@H]1CCC[C@@H](O)C1 75156860 OUAXMHBVTPUGGE-NWDGAFQWSA-N 302.296 3.130 0 40 DGAB COc1ccccc1C(=O)OC[C@H]1CCCN2CCCC[C@H]12 5222291 AXUGOKFRYJOWGL-GDBMZVCRSA-N 303.402 3.117 0 40 DGAB biogenic,in-vitro CC[C@@H]1C[C@@H](CC(=O)N[C@H](O)C(Cl)(Cl)Cl)C1(C)C 5247743 MSTJZJHELXZLQI-KHQFGBGNSA-N 316.656 3.254 0 40 DGAB COCc1cc(Nc2cnn(CC(C)C)c2C2CC2)ncn1 554688482 NPFKTEVDUJADIG-UHFFFAOYSA-N 301.394 3.097 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)NCc2cccs2)cc1 2725979 KJILTJWPUBEWDS-UHFFFAOYSA-N 317.410 3.426 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)/C=C/c2ccccc2)c1 7056213 AXBPNMSRPFLKSK-ZHACJKMWSA-N 301.367 3.302 0 40 DGAB COC[C@H](C)NC(=O)CSc1c(Cl)cccc1Cl 21223984 SVTYBKVSPSRENO-QMMMGPOBSA-N 308.230 3.237 0 40 DGAB O=C(Nc1nnc(-c2ccco2)o1)c1nc2ccccc2s1 4107271 AAIIWOGGJDJOOZ-UHFFFAOYSA-N 312.310 3.192 0 40 DGAB Cc1cc(NC(=O)COc2ccccc2)nn1Cc1ccccc1 4784936 KXTFCWQNSBMHBG-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)NCCc3ccccc3)cc2)n1 8491395 BXCYVQPKUQDECP-UHFFFAOYSA-N 319.408 3.462 0 40 DGAB Cc1nc(NC(=O)Nc2ccccc2)sc1C(=O)NC(C)C 8770494 SOQGPEUAMMOQIW-UHFFFAOYSA-N 318.402 3.234 0 40 DGAB COc1ccc2[nH]cc(C3N4CC5(C)CN3CC(C)(C4)C5)c2c1 19325288 YJBCRTWWDFHOIK-UHFFFAOYSA-N 311.429 3.223 0 40 DGAB biogenic CO[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1Cl 121823193 KKFQWBBBGTVSMN-HVHJFMEUSA-N 305.761 3.450 0 40 DGAB CCN1C(=O)c2ccccc2N[C@H]1c1c[nH]nc1-c1cccnc1 30543368 LLHNPKZADXANFU-QGZVFWFLSA-N 319.368 3.058 0 40 DGAB O=C(NCc1ccco1)c1ccc(OCc2cccnc2)cc1 40498501 IPJFROONZMYNDC-UHFFFAOYSA-N 308.337 3.184 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)NC[C@@H](c1ccco1)N(C)C 40525020 RRJIIJAIHRORPD-LBPRGKRZSA-N 321.446 3.201 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2cccnc2Cl)c1 20736363 CLVWQDFXQGAXSZ-UHFFFAOYSA-N 315.760 3.337 0 40 DGAB COC(=O)c1cn(CC(=O)Nc2ccccc2)c2ccccc12 356573 MWMIJBQUFITOPB-UHFFFAOYSA-N 308.337 3.067 0 40 DGAB CCc1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)o1 533688 BIBSWVAZJUKRAD-UHFFFAOYSA-N 300.358 3.372 0 40 DGAB Cc1ccc2ncn(Cc3ccc(F)c4cccnc34)c(=O)c2c1 42171504 RWVKQCCIRCHOKE-UHFFFAOYSA-N 319.339 3.441 0 40 DGAB CN(C)[C@@H](CNC1CC(C)(C)NC(C)(C)C1)c1cccc(F)c1 22788534 CVWAIABRYMMUOV-KRWDZBQOSA-N 321.484 3.327 0 40 DGAB COc1ccc(NC(=O)CSc2nc3ccccc3[nH]2)cc1 72499 WMPPNMLFBMVRLU-UHFFFAOYSA-N 313.382 3.302 0 40 DGAB Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccc(F)cc2)cc1 116232 VTVHHOVUHHDUHU-OAHLLOKOSA-N 301.317 3.080 0 40 DGAB CC(C)C(=O)N1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 324737 SBMGZLVFCLKMIE-ZDUSSCGKSA-N 317.364 3.238 0 40 DGAB O=C(/C=C/c1ccco1)NC(=S)Nc1ccccc1Cl 347414 UALNWACSUBATHR-BQYQJAHWSA-N 306.774 3.459 0 40 DGAB COc1cccc(C(=O)N2CCN([C@@H]3CCC[C@H](C)C3)CC2)c1 783081 IPVDLPHKSIXDEZ-DOTOQJQBSA-N 316.445 3.032 0 40 DGAB COc1ccc(/C=C/C(=O)NC2CCC(C)CC2)cc1OC 1426182 IWRJBKXTKQSTKD-YRNVUSSQSA-N 303.402 3.412 0 40 DGAB CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(Cl)c(Cl)c1 3245430 PIABLFKASOZGLT-CPCISQLKSA-N 318.204 3.015 0 40 DGAB CC(=O)c1ccc(NC(=O)CSc2nc(C)cs2)cc1 3413983 NTRFZROHLLAXKR-UHFFFAOYSA-N 306.412 3.385 0 40 DGAB O=c1sc2ccccc2c(=O)n1Cc1ccc(Cl)cc1 4091647 BSYIQCVRXCEBJG-UHFFFAOYSA-N 303.770 3.125 0 40 DGAB CO[C@@](F)(C(=O)Nc1nc2ccccc2s1)C(F)(F)F 4141926 PYXNFVUWFGNCQF-JTQLQIEISA-N 308.256 3.109 0 40 DGAB O=S(=O)(N[C@H]1C[C@H]2CC[C@@H]1C2)c1cc(Cl)ccc1Cl 4891589 NHZWBGHCVRQSOL-SBMIAAHKSA-N 320.241 3.460 0 40 DGAB CCOC(=O)[C@H]1[C@@H](O)C[C@H]2c3ccccc3-c3ccccc3[C@@H]21 5030116 XBBKGMWUFSFRON-VJANTYMQSA-N 308.377 3.478 0 40 DGAB in-vitro O=C1S/C(=C\c2ccccc2O)C(=O)N1c1cccc(O)c1 5376154 JQQKVWFJBMKPDV-ZSOIEALJSA-N 313.334 3.339 0 40 DGAB COc1ccc(NC(=S)N[C@H]2C[C@H]3CC[C@@H]2C3)c(OC)c1 5560513 XFHDZNYOXSXEGW-WDMOLILDSA-N 306.431 3.179 0 40 DGAB CCCC[C@@H](CC)C(=O)Nc1nc(C)c(C(=O)N(C)C)s1 6042868 YNGPJHRHNOSOPJ-LLVKDONJSA-N 311.451 3.308 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)c(F)c1 7428120 BICHDIIHTHMZIQ-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@@H]1C=CCC1 8349822 WVHYDBDAEFZWRI-HUUCEWRRSA-N 310.401 3.143 0 40 DGAB COc1ccccc1NC(=O)CN(C)[C@H](C)c1cccs1 8769719 QHVVFOOPRJAMCJ-GFCCVEGCSA-N 304.415 3.388 0 40 DGAB Cc1ccc(NC(=O)C(=O)NC[C@@H](C)c2ccccc2)cc1C 9232465 ZEFOLSMIZGNVDY-OAHLLOKOSA-N 310.397 3.162 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 11636400 WRMAWXCVBAHDJG-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB CCONC(=O)c1cc(-c2ccccc2)nc2c1cnn2C(C)C 11739920 XGGHTKUGKNPKAN-UHFFFAOYSA-N 324.384 3.361 0 40 DGAB CCCOc1ccc(C(=O)NCc2ccc(C(=O)O)cc2)cc1 13092210 XPSWWFIVOOACHG-UHFFFAOYSA-N 313.353 3.104 0 40 DGAB SC1=NCN(CCc2ccccc2)CN1Cc1ccccc1 13636099 PABJGQHFHNANMW-UHFFFAOYSA-N 311.454 3.248 0 40 DGAB COc1ccc(CCC(=O)Oc2ccc(NC(C)=O)cc2)cc1 14627891 JTHWBSJVAWPWSN-UHFFFAOYSA-N 313.353 3.192 0 40 DGAB COc1ccc2c(CN3CCn4cccc4[C@@H]3C)cc(=O)oc2c1 15416746 GPFWSSAHUWGQAV-ZDUSSCGKSA-N 324.380 3.180 0 40 DGAB COc1ccc(-c2c[nH]nc2-c2ccc(O)cc2O)cc1OC 17824005 MWXSUVGIJWIBDJ-UHFFFAOYSA-N 312.325 3.172 0 40 DGAB C[C@@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 18208302 NHSXBQUJNKSHTR-GFCCVEGCSA-N 318.417 3.240 0 40 DGAB O=C(COc1ccccc1Cl)Nc1cccc2nsnc12 19079177 KYPLDNVPFGQZHC-UHFFFAOYSA-N 319.773 3.362 0 40 DGAB O=C1N[C@H](c2ccc(Cl)cc2)Nc2c1cnn2-c1ccccc1 20799550 UZAPMLBVXZNQKU-OAHLLOKOSA-N 324.771 3.380 0 40 DGAB C[C@H](NC(=O)CCc1ccc2c(c1)OCCO2)c1ccccc1 24613343 QHTZCKBRSHRAGF-AWEZNQCLSA-N 311.381 3.268 0 40 DGAB Cc1cc(C(=O)NC[C@H](C)N2CCc3ccccc3C2)c(C)o1 25634684 BTSUDRRVLQTIBR-ZDUSSCGKSA-N 312.413 3.073 0 40 DGAB COC(=O)c1ccc(OCC(=O)c2ccc(C)s2)c(OC)c1 31701240 IYOUWIADQCPVOA-UHFFFAOYSA-N 320.366 3.113 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCSc2ccccc21 32675527 KUEKVUXCTWQRPH-UHFFFAOYSA-N 302.399 3.363 0 40 DGAB O=C(Nc1nccs1)c1cnn(-c2ccccc2)c1C1CC1 32765548 DDDVYIYATDLLJC-UHFFFAOYSA-N 310.382 3.459 0 40 DGAB COc1ccc(/C=C2/C(=O)N(c3ccccc3)C(=S)N2C)cc1 33496944 PWOOGUSIQMUWMV-VBKFSLOCSA-N 324.405 3.300 0 40 DGAB c1ccc2c(NC[C@@H]3CCOC3)nc(-c3ccncc3)nc2c1 42107351 VUQBHGDAKGEBKH-ZDUSSCGKSA-N 306.369 3.140 0 40 DGAB CC(C)[C@H](CNC(=O)c1cccnc1S)Nc1ccccc1 42793298 FJBSTHPKKYLGQY-HNNXBMFYSA-N 315.442 3.237 0 40 DGAB COc1ccc(CN(C)C(=O)[C@H](C)Oc2ccc(C)cc2)cc1 44818469 SBJLJTMQOZUEFF-HNNXBMFYSA-N 313.397 3.430 0 40 DGAB O=C(NCC(F)(F)F)c1[nH]c2ccccc2c1Br 47271833 GVXXWKQMIYHMPP-UHFFFAOYSA-N 321.096 3.223 0 40 DGAB C[C@H](NC(=O)Cc1csc(-c2cccc(F)c2)n1)C1CC1 48230138 QITKONQDIDXZIP-JTQLQIEISA-N 304.390 3.406 0 40 DGAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1ncc(C)s1 48231512 BTJUEIHGFWRXCX-UHFFFAOYSA-N 318.398 3.370 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@@H]1c1ccsc1 48332456 OISUDKCSACPFRN-MRXNPFEDSA-N 324.409 3.306 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2C)cc1 48691650 IHVILIDERBXPFO-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB COc1ccc([C@@H](C)Nc2ncc(C(N)=O)cc2Cl)cc1F 54044071 UXPOVTJHZDPBLE-MRVPVSSYSA-N 323.755 3.155 0 40 DGAB O=C(NCCCOCc1ccco1)c1c(F)cccc1Cl 54535565 JWPCRNJVQVPEMS-UHFFFAOYSA-N 311.740 3.409 0 40 DGAB C[C@@H](COc1ccccc1)NC(=O)CCc1ccc(F)cc1 55732150 XFGAGJDYQYNMHI-AWEZNQCLSA-N 301.361 3.342 0 40 DGAB Cc1nnc([C@@H](C)N2CCC(Nc3ccccc3C)CC2)o1 58332875 RNIJFZHZMRDWHZ-CYBMUJFWSA-N 300.406 3.324 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCO[C@H](c3ccccc3)C2)n1 58370241 RZTKRAIYXWJFNU-HIFRSBDPSA-N 301.390 3.328 0 40 DGAB O=C(CNc1nc2ccccc2s1)N1CCc2ccccc21 61802848 YYCCYUSKXCCILR-UHFFFAOYSA-N 309.394 3.298 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)C1(C)C 65476154 HANBYSFDSHFMAK-KGLIPLIRSA-N 324.465 3.208 0 40 DGAB CCO[C@@H]1CCCN(C(=O)Nc2ccc(NC(=O)CC)cc2)C1 65585185 OHTYCRHQBNYRPW-OAHLLOKOSA-N 319.405 3.068 0 40 DGAB CC(C)CCC(=O)Nc1nc2cc3c(cc2s1)OCCO3 69644430 WEKVODMPMWMSTC-UHFFFAOYSA-N 306.387 3.442 0 40 DGAB CCc1c(C(=O)O)nnn1-c1cc(C(F)(F)F)ccc1Cl 71327495 MMQUEHQVKMYUDM-UHFFFAOYSA-N 319.670 3.200 0 40 DGAB Cc1cc(C)cc([C@H](C)NC(=O)N[C@@H](C)c2cn(C)nc2C)c1 71885953 KDKUHZMSMKNIGG-KBPBESRZSA-N 314.433 3.467 0 40 DGAB CN(CCc1ccccc1)C(=O)c1cccc(-n2ccnc2)c1 71910369 ZOEBRHXSPXJSCF-UHFFFAOYSA-N 305.381 3.187 0 40 DGAB O=C(Nc1ccc(F)cc1)N[C@@H](CCCO)c1ccccc1 71921042 COXBVNQMSDENRJ-INIZCTEOSA-N 302.349 3.461 0 40 DGAB Cc1cc([C@@H](N)c2ccccc2)cnc1I 72225966 DSRMYCSDIKWRLD-LBPRGKRZSA-N 324.165 3.043 0 40 DGAB FC(F)(F)C1(NCc2ccccc2)CCC2(CC1)OCCO2 72266531 JJOGLVDUPMMZKB-UHFFFAOYSA-N 315.335 3.394 0 40 DGAB in-vitro Cn1c(CNC(=O)Nc2cccs2)nc2cc(F)ccc21 72289194 OYORKVAEJPBGSK-UHFFFAOYSA-N 304.350 3.096 0 40 DGAB COc1cc(C(=O)NCCc2cccs2)nc2ccccc12 72329591 DGYIQXOZGRNHKB-UHFFFAOYSA-N 312.394 3.277 0 40 DGAB c1ccc(Nc2n[nH]c3c2CN(Cc2cccnc2)CC3)cc1 72367966 BADBMWBXGOFFFU-UHFFFAOYSA-N 305.385 3.107 0 40 DGAB CC[C@H](NC(=O)c1cccnc1)c1nc(C(F)(F)F)cs1 73279772 QIZZAQUCUZSXJY-VIFPVBQESA-N 315.320 3.438 0 40 DGAB CCCCN(C(=O)c1nnn(-c2ccccc2)n1)c1ccccc1 75163308 CTPFBJCCBMPSAQ-UHFFFAOYSA-N 321.384 3.109 0 40 DGAB C[C@@H](C(=O)NC1CCCCC1)[S@@](=O)C/C=C/c1ccccc1 78555935 TUSBUFGCFBGEEC-SECQUZDXSA-N 319.470 3.286 0 40 DGAB Cc1cc(C)c(CN[C@@H]2CCN(C(=O)C3CC3)C[C@H]2C)cc1C 78898401 IXTDTCZVYIDDFO-VQIMIIECSA-N 314.473 3.348 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NC(=O)c1ccccc1OC(C)C 78996796 VTMMIIQJTFZNQT-LBPRGKRZSA-N 315.417 3.315 0 40 DGAB CNC(=O)NCc1csc(-c2ccc(C(F)(F)F)cc2)n1 80660048 WCFBAHCUYZUGMG-UHFFFAOYSA-N 315.320 3.258 0 40 DGAB Cc1occc1COC(=O)c1ncccc1OCC(F)(F)F 83941962 GTCBJAUKPQNSAU-UHFFFAOYSA-N 315.247 3.281 0 40 DGAB COCCc1noc(-c2sc(-c3ccc(F)cc3)nc2C)n1 84064652 XCBDWZCJXYKHRQ-UHFFFAOYSA-N 319.361 3.497 0 40 DGAB Cc1cc(CNCc2nncn2C(C)C)cc(C)c1OC(F)F 89156493 NGCNDZWTJBVKOA-UHFFFAOYSA-N 324.375 3.367 0 40 DGAB Cc1cc(CC(=O)N(C)[C@H](c2ccc(F)cc2)C2CC2)n[nH]1 89599073 WBLPWLMBEFVFCP-KRWDZBQOSA-N 301.365 3.009 0 40 DGAB CC[C@@H](S[C@@H](C)c1nc(-c2ccccc2C)no1)C(N)=O 89941845 KRYALCSNDKYLTO-CMPLNLGQSA-N 305.403 3.103 0 40 DGAB CCc1nc2ccccc2n1C1CCN(Cc2ccnn2C)CC1 91085070 WOFQFHKOFZNBFG-UHFFFAOYSA-N 323.444 3.169 0 40 DGAB CCN(C(=O)[C@H](C)N(C)Cc1nccs1)C1CCCCC1 95430732 QFZHYMLPTXMLMM-ZDUSSCGKSA-N 309.479 3.145 0 40 DGAB COc1ccsc1S(=O)(=O)Nc1ccc2ncccc2c1 95447436 JHNMVVZWJMANRX-UHFFFAOYSA-N 320.395 3.106 0 40 DGAB CC(C)(CN[C@@H]1CCc2c(Cl)cc(Cl)cc21)C(N)=O 95462747 SWCGBFZQZGRHQE-GFCCVEGCSA-N 301.217 3.082 0 40 DGAB CCCCOCCN1C(=O)c2cc(Cl)c(Cl)cc2C1=O 95953107 DQYNSXIMSDHLCA-UHFFFAOYSA-N 316.184 3.406 0 40 DGAB O=C(Nc1c(O)c(Cl)cc(Cl)c1Cl)[C@@H]1CCOC1 95977875 XZNYTFVMHYLCIB-RXMQYKEDSA-N 310.564 3.327 0 40 DGAB CCOC(=O)c1ccc(CN[C@H]2CCOC3(CCCCC3)C2)o1 95988476 SNGCPVVUQFOZHB-AWEZNQCLSA-N 321.417 3.428 0 40 DGAB CC(C)OC[C@H]1CCC[C@]12CN(C(=O)c1cccs1)CCO2 96160079 IFVYEXNOGQSLRW-PBHICJAKSA-N 323.458 3.184 0 40 DGAB COC[C@@H]1CCC2(CCN(Cc3sccc3C)CC2)N1C 96216366 WNUFDSYXDRZLQU-HNNXBMFYSA-N 308.491 3.132 0 40 DGAB C[C@@H]1COC2(CCN(C(=O)NC3CCCCCCC3)CC2)O1 96415173 JSNLILUWFWDRRB-CQSZACIVSA-N 310.438 3.036 0 40 DGAB Cc1ncsc1CNC(=O)NC[C@@H](C)Sc1ccccc1 96439850 NEIAGHTVQURSAJ-LLVKDONJSA-N 321.471 3.432 0 40 DGAB CSC[C@H](C)CNC(=O)N[C@@H](c1nc(C)cs1)C1CC1 96440190 PNJYHGGEFNLWJQ-BXKDBHETSA-N 313.492 3.201 0 40 DGAB CCc1cnc(CSCc2cccc(C(=O)N(C)C)c2)o1 96471572 TXUHZYBEYLNGIB-UHFFFAOYSA-N 304.415 3.372 0 40 DGAB CCCC[C@@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 96499765 CHTVWKMMYMGYBE-OAHLLOKOSA-N 324.852 3.227 0 40 DGAB C[C@H](C(=O)N[C@@H](CC(=O)O)c1ccccc1)c1ccsc1 97017391 SHGRMVGBWMNOKD-FZMZJTMJSA-N 303.383 3.184 0 40 DGAB COC(=O)CCCC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1F 97141991 FBBRUNXSBBYSCH-IUODEOHRSA-N 307.365 3.079 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@H](C)N[C@@H](C)c2ccco2)cc1 97375015 VFVXYQYEVYPOKZ-KBPBESRZSA-N 307.415 3.101 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Nc3cccc(C)c3C)C2=O)cc1 101275958 PDYWDQCKCNFVKG-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931947 DKUUGJBEWAAWFQ-YOLDBQSLSA-N 322.489 3.112 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCCOc1ccccc1 175071108 KAXYJUXYNCFLLF-INIZCTEOSA-N 317.360 3.178 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](O)c1cccc(Br)c1 204135298 VESWBJPOZNMSFH-NSHDSACASA-N 316.195 3.007 0 40 DGAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)cc1C 224598707 ZOLKLSIQVFGUSX-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCOc1ccc(-c2cnc(CCC(=O)N3CCCC3)o2)cc1 224860326 IAZHXWBWUXXEKV-UHFFFAOYSA-N 314.385 3.295 0 40 DGAB Cc1nc2ccc(C(=O)N3CCCC[C@@H]3c3[nH]ncc3C)cc2[nH]1 257203437 AQASAZWAUFGLDO-MRXNPFEDSA-N 323.400 3.270 0 40 DGAB O=C(COc1ccccc1Cl)N1CCCC[C@@H]1c1cc[nH]n1 370564526 XFUJIVFJCVWPRT-CQSZACIVSA-N 319.792 3.196 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)Nc1cccc(C)n1 409180634 XMUMUYTZHVYUMF-UHFFFAOYSA-N 315.398 3.079 0 40 DGAB CC(C)c1nccc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1 546635236 JSNZRGDEQJJCMQ-CQSZACIVSA-N 317.355 3.130 0 40 DGAB Cc1cc(C(=O)N2CCC[C@]2(C)Cc2cccc(F)c2)n(C)n1 563175909 NEVAZUDOSYIKAH-GOSISDBHSA-N 315.392 3.105 0 40 DGAB CC(C)(C)c1noc([C@H](c2ccccc2)N2CCCCC2=O)n1 585133341 FXYNYJCKJPTICO-HNNXBMFYSA-N 313.401 3.469 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)C[C@@H](C)c1c[nH]c2ccccc12 1521695460 ZOAGDFNTSKGPIV-LLVKDONJSA-N 310.401 3.318 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccccc1 340777 MVVMUFGXEHCLPW-CQSZACIVSA-N 303.745 3.286 0 40 DGAB CC(=O)N(Cc1ccco1)Cc1cc2cc(C)cc(C)c2[nH]c1=O 410597 SHQUQSUDHGBWDQ-UHFFFAOYSA-N 324.380 3.287 0 40 DGAB CCc1nc(SCC(=O)N(CC)CC)c2ccccc2n1 412515 FOURZONDYLQKMQ-UHFFFAOYSA-N 303.431 3.153 0 40 DGAB CCN(CC)c1ncnc2c1cnn2-c1ccc(Cl)cc1 426403 PDDWQXVCFHTGCB-UHFFFAOYSA-N 301.781 3.315 0 40 DGAB O=S(=O)(Nc1nccs1)c1cc(Cl)ccc1Cl 552571 DJRKCQFSAXVEED-UHFFFAOYSA-N 309.199 3.251 0 40 DGAB aggregator O=C(c1ccc(F)cc1)N1CCN(C2CCCCCC2)CC1 783000 IAQMPMQJIBHASJ-UHFFFAOYSA-N 304.409 3.306 0 40 DGAB c1ccc(OCCSc2nnnn2C2CCCCC2)cc1 2125297 OBEVICZVSRHMBU-UHFFFAOYSA-N 304.419 3.349 0 40 DGAB COc1ccc(-n2nnnc2SCc2ccccc2F)cc1 3501752 BKQFOLFTDVPRNM-UHFFFAOYSA-N 316.361 3.102 0 40 DGAB CCCCCCNc1nc(NCc2ccco2)nc(OCC)n1 4289828 IOUSNEFHJKZMFR-UHFFFAOYSA-N 319.409 3.468 0 40 DGAB O=c1nc(SCc2ccc(F)cc2)nc2ccc(Cl)cn12 4504284 KMIFFVDXJDMIKF-UHFFFAOYSA-N 321.764 3.174 0 40 DGAB O=C(/C=C/c1c(Cl)cccc1Cl)NC[C@@H]1CCCO1 5670320 ZMAFKFBJQNYUNY-FGEFZZPRSA-N 300.185 3.302 0 40 DGAB Cc1ccc(OCCNC(=O)COc2ccccc2Cl)cc1 5814550 BSALEGPYHYUTDX-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB CCCCCNC(=O)C(=O)Nc1ccc(Cl)c(Cl)c1 6397239 HXDSMNHZXSZUIX-UHFFFAOYSA-N 303.189 3.238 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)c2cc3ccccc3o2)cc1 6510709 MZZPYDZCMUITPU-UHFFFAOYSA-N 308.337 3.387 0 40 DGAB O=C(Cn1ccc2cc(Br)ccc21)N1CCCCC1 6756709 AJFMQMKXBMNLBB-UHFFFAOYSA-N 321.218 3.416 0 40 DGAB O=C(CN1CCCc2ccccc21)Nc1ccnn1C1CCCC1 7115049 GQFNRGXAGRIXLB-UHFFFAOYSA-N 324.428 3.390 0 40 DGAB C[C@H](NC(=O)C1=COCCO1)c1ccc(Cl)c(Cl)c1 7781533 ZJLBAZSMJBOWCO-QMMMGPOBSA-N 302.157 3.059 0 40 DGAB CCOc1ccccc1[C@@H](O)c1nccn1Cc1ccccc1 8991320 ZMBSEUMZKKUAMO-GOSISDBHSA-N 308.381 3.412 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@H]1CCCN1C(=O)c1cccs1 9154366 JWSBLGTVNDPOTD-CYBMUJFWSA-N 318.373 3.131 0 40 DGAB Cc1c(C(=O)N2CCCc3ccccc32)nnn1-c1ccccc1 9970545 VGHSDBUEKSXRIQ-UHFFFAOYSA-N 318.380 3.169 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N2c3ccccc3C[C@@H]2C)cc1 10449981 FRYFIJCHXVIQER-KBPBESRZSA-N 311.381 3.440 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1cc(=O)[nH]c2ccccc12 12486938 HUBIYBTXJCOSEI-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CN1CCCc2cc(CCNC(=O)C3CCCCC3)ccc21 13006653 MENSKDIWCBHVQJ-UHFFFAOYSA-N 300.446 3.308 0 40 DGAB Cc1nn(C)cc1-c1cncn1Cc1cccc(OC(C)C)c1 19719472 JVLLIMKIFVMDLV-UHFFFAOYSA-N 310.401 3.428 0 40 DGAB O=C1C[C@H](c2cccc(OCc3ccccc3)c2)c2c[nH]nc2N1 20737909 NBNZHKDMOZFXIX-MRXNPFEDSA-N 319.364 3.463 0 40 DGAB Cc1cc(C(=O)CSc2nc(N)c3ccsc3n2)c(C)[nH]1 22417240 BKIMCRQBJNHDMS-UHFFFAOYSA-N 318.427 3.193 0 40 DGAB CC[C@@H](C)NC(=O)[C@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 23016684 MYIRUEUAURHDCS-HIFRSBDPSA-N 302.418 3.078 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)cc1 23624804 NXYCPGIQTTVHOZ-GDBMZVCRSA-N 300.402 3.297 0 40 DGAB COc1ccc(Cl)cc1CN(C)C(=O)Nc1cc(C)on1 24743801 BKSBHYKYYAETBI-UHFFFAOYSA-N 309.753 3.309 0 40 DGAB COc1cccc(NC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1 24960453 XRAVPRUHLYYCSD-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB O=c1cc(CNc2cccc3ccccc23)nc2ccccn12 25597668 CAXBVNKTWKTPON-UHFFFAOYSA-N 301.349 3.460 0 40 DGAB O=C(CC1CCCCC1)N1CCC[C@H]1c1nnc2ccccn12 31501370 VKCJUVMKCWSFQR-HNNXBMFYSA-N 312.417 3.363 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1C 32585584 NCBUMGOWXITYST-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@@H](C(C)C)N2CCCC2)cc1 32907379 PVHVHVQSXUICBJ-KRWDZBQOSA-N 317.433 3.131 0 40 DGAB CN(CC(=O)NCc1ccccc1Cl)c1ccc(Cl)cn1 32915739 BQGWDLSJTRTCLG-UHFFFAOYSA-N 324.211 3.141 0 40 DGAB O=C(CCc1ccncc1)/N=c1\sccn1Cc1ccccc1 32933520 WNFASRIIGJEVLI-ZZEZOPTASA-N 323.421 3.053 0 40 DGAB CC(=O)Nc1ccc(Nc2ccc(N3CCCCC3)nn2)cc1 35310818 SVDWIOWZLYRCGB-UHFFFAOYSA-N 311.389 3.169 0 40 DGAB COc1cc(NC(=O)c2noc3c2CCCCC3)cc(OC)c1 36354078 SVLVLZXXSKKDQW-UHFFFAOYSA-N 316.357 3.213 0 40 DGAB COc1cccc(COCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 36393614 FKIHIUFMKRMXSL-ZDUSSCGKSA-N 317.360 3.228 0 40 DGAB Fc1cc(F)c2c(c1)CCCN2Cc1nnsc1Cl 37176512 CZZQVBQQNQVZOT-UHFFFAOYSA-N 301.749 3.423 0 40 DGAB O=C(O)[C@@H]1C[C@@H]1C(=O)N(Cc1cccs1)Cc1cccs1 37827891 DNCSHJZIKVHEGL-QWHCGFSZSA-N 321.423 3.059 0 40 DGAB CCOC(=O)c1cc(Br)sc1Br 39121847 JJXKSBHSHSKQEX-UHFFFAOYSA-N 313.998 3.450 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H](c2ccc(F)cc2)C(C)C)c1 39995703 LAQUSLFVEOCPAX-MRXNPFEDSA-N 302.349 3.484 0 40 DGAB CCOc1ccc(N[C@@H](C(N)=O)c2ccccc2)cc1OCC 40481494 JVZHSJABOTZNQY-QGZVFWFLSA-N 314.385 3.123 0 40 DGAB COc1ccccc1CNC(=O)c1oc2c(c1C)C(=O)CCC2 40515694 DAOVQLZNSJTNRE-UHFFFAOYSA-N 313.353 3.046 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)no1 43696259 ROWPCLQAHSCUKR-LLVKDONJSA-N 321.406 3.327 0 40 DGAB C[C@@H](NC(=O)N[C@H](c1ccccc1)c1nccn1C)c1ccco1 44895311 RIFAUSXZDCYKRW-CZUORRHYSA-N 324.384 3.163 0 40 DGAB O=C(Nc1cccc(Cl)c1-n1cccn1)N1CCSCC1 47631464 BKTAHFJKBQCBKA-UHFFFAOYSA-N 322.821 3.106 0 40 DGAB CCN(CC)C(=O)Nc1ccc(N2CCSCC2)cc1C 51673111 DSOSCHFHGHUCSS-UHFFFAOYSA-N 307.463 3.422 0 40 DGAB O=C(NC1CC1)c1ccc(CNc2cnc3ccccc3n2)cc1 58159139 BWAGZNSPHZBREX-UHFFFAOYSA-N 318.380 3.134 0 40 DGAB Cc1cccc(C)c1NC(=O)C[S@](=O)Cc1cccc(F)c1 66301708 CPLBWKRYFYVXCZ-QFIPXVFZSA-N 319.401 3.330 0 40 DGAB CC(C)(C)OC(=O)NCC1CCN(C(=O)c2ccccc2)CC1 67801249 XRLOPZVLFXCPCN-UHFFFAOYSA-N 318.417 3.064 0 40 DGAB Cc1c(NC(=O)Nc2cn[nH]c2)cccc1OCC(F)(F)F 69223968 VPEANEKVKOXORN-UHFFFAOYSA-N 314.267 3.303 0 40 DGAB Cn1c([C@@H](NC(=O)NC2CC2)c2ccccc2)nc2ccccc21 69708172 ZJGJVQGCEWKBPM-KRWDZBQOSA-N 320.396 3.124 0 40 DGAB Cc1cnn(C[C@H]2CCCN2Cc2csc(C(C)C)n2)c1 71875920 QGCOLVOXPDPKGK-OAHLLOKOSA-N 304.463 3.436 0 40 DGAB Cc1csc(Nc2ccc(NC(=O)c3cnccn3)cc2)n1 71893132 LAEDGYNTTOSKOR-UHFFFAOYSA-N 311.370 3.237 0 40 DGAB Cc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 71978082 SMEIZLSOUGVGDX-UHFFFAOYSA-N 305.337 3.430 0 40 DGAB CC(C)c1ncc2c(n1)CN(Cc1nc3ccccc3n1C)CC2 72268510 PIWNGQOQHQAOAK-UHFFFAOYSA-N 321.428 3.045 0 40 DGAB CS[C@@H]1CCC[C@@H](NC(=O)c2ccc(NC(C)=O)cc2)C1 72287111 VKGCZCNWWJLYNF-HUUCEWRRSA-N 306.431 3.049 0 40 DGAB CC(=O)N1CC[C@@H]1c1cc(N2CCCc3ccccc32)nc(C)n1 72387658 ZMXFWQIHPTVPQP-GOSISDBHSA-N 322.412 3.163 0 40 DGAB COc1ccccc1CNC(=O)c1cc2cc(F)ccc2n1C 72401004 UUZMVHSUXCEIAP-UHFFFAOYSA-N 312.344 3.256 0 40 DGAB O=C(c1ccc2c(c1)COCO2)N1CC=C(c2ccccc2)CC1 72797473 JOSIOXROYZCWCB-UHFFFAOYSA-N 321.376 3.483 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccccc2OC)ccc1OC 74935031 SUDRCCAHYIOLPT-UHFFFAOYSA-N 321.398 3.067 0 40 DGAB Cc1ccc2nc(C3CN(C(=O)c4cc(C)oc4C)C3)[nH]c2c1 75156455 KUSUWCLJUOOZRR-UHFFFAOYSA-N 309.369 3.321 0 40 DGAB Cc1nc(CN2CCC[C@@H]2c2c(C)nn(C)c2Cl)oc1C 75605238 JHEZULBRDHCTIS-GFCCVEGCSA-N 308.813 3.324 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(C(C)(C)C)cc2)n(C)n1 78274094 BNOWLTIJXSFXLC-UHFFFAOYSA-N 300.406 3.077 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)cc1 78898194 TUIGPYDRXPCELE-LRDDRELGSA-N 306.837 3.077 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)c2ccnc(F)c2)n(C)n1 80456952 URPNOTXIUAFUCU-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB Cc1cc(C(=O)N2CC=C(c3ccc(Cl)cc3)CC2)[nH]n1 82973244 OCFITJAUBFFYRH-UHFFFAOYSA-N 301.777 3.301 0 40 DGAB O=C(Nc1c[nH]ccc1=O)[C@H]1C[C@H]1c1ccccc1C(F)(F)F 84502207 OMAUSDXSWSWNNH-QWRGUYRKSA-N 322.286 3.136 0 40 DGAB CN(C)c1cccc(-n2c(C(F)(F)F)nn(C)c2=S)c1 85389229 GPQSCRYGMHWZKM-UHFFFAOYSA-N 302.325 3.025 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)CCCc2ccccc2)c(C)o1 85561348 YWHCQSDYEZIJRK-SFHVURJKSA-N 315.413 3.459 0 40 DGAB Cc1csc([C@@H](NCc2cccc3c2OCO3)C2CC2)n1 89705416 JQFBBPNJNJLDFC-AWEZNQCLSA-N 302.399 3.421 0 40 DGAB CC(C)n1nccc1NC(=O)C[C@H]1OCCc2ccsc21 89893844 YPUSYQHUUZILEU-GFCCVEGCSA-N 305.403 3.168 0 40 DGAB CC(=O)Nc1c(C)cccc1-c1nc2ccc(C)cc2[nH]c1=O 95945236 LPHDUEYGPTVYFO-UHFFFAOYSA-N 307.353 3.165 0 40 DGAB CC(C)c1ccccc1NC(=O)N(C)C1(CCO)CCOCC1 95945362 AXZBDLBYXTYIBR-UHFFFAOYSA-N 320.433 3.205 0 40 DGAB CCOc1cccc([C@@H](C)NC(=O)Cc2c(C)noc2C)c1 95956754 ZTRHVWQNDAVFOP-LLVKDONJSA-N 302.374 3.110 0 40 DGAB Cc1noc([C@@H](c2ccccc2)N(C)Cc2c(C)noc2C)n1 95963355 ZGRHECVXOLIMSK-MRXNPFEDSA-N 312.373 3.204 0 40 DGAB Cc1cc(F)c(C(=O)Nc2cc(C(=O)O)ccc2F)cc1F 95989567 PPWMTHCOFFCWGH-UHFFFAOYSA-N 309.243 3.363 0 40 DGAB CCn1c(C)nnc1COc1ccc(OC(F)(F)F)cc1 95994828 OJTYGKBQUQZGOF-UHFFFAOYSA-N 301.268 3.084 0 40 DGAB Fc1cccc(N2CCc3ncnc(-c4cccnc4)c3CC2)c1 96066740 XMFYFFNTQQXSIN-UHFFFAOYSA-N 320.371 3.283 0 40 DGAB CC(C)N1CCC2(CCCN(C(=O)Cc3ccsc3)C2)CC1 96071788 HCZXPHVVVMTUDL-UHFFFAOYSA-N 320.502 3.404 0 40 DGAB COCCOc1cccc(NC(=O)N2C[C@H]3CC=CC[C@@H]3C2)c1 96434151 DDWXSQJIAOEAGJ-HUUCEWRRSA-N 316.401 3.142 0 40 DGAB COc1c(F)cc(NC(=O)N[C@@H](C)CC(C)(C)OC)cc1F 96434180 RWBKYQXGFQMKSD-VIFPVBQESA-N 316.348 3.299 0 40 DGAB CC[C@@H](NC(=O)N[C@@H](C)c1cnn(C(C)C)c1)c1ccncc1 96440165 DYUFENRMBZOOFA-XJKSGUPXSA-N 315.421 3.371 0 40 DGAB CCS[C@H]1CCC[C@@H](NC(=O)CSc2ccncc2)C1 96451428 CHVVYYCDYDBPAK-OCCSQVGLSA-N 310.488 3.354 0 40 DGAB O=C(c1ccc(-c2nc(C3CC3)n[nH]2)cc1)N1C[C@H]2CCC[C@H]2C1 96462268 VTQKEMIJGVMTJF-IYBDPMFKSA-N 322.412 3.221 0 40 DGAB C[C@@H]1CCN(c2ncnc3nc(N)ccc23)[C@H](c2ccco2)C1 96494542 BUSQIXYUBXNQQD-YPMHNXCESA-N 309.373 3.178 0 40 DGAB Cc1ccc(Cl)c2ccc(NCc3nnc4n3CCC4)nc12 96496698 LVAVVYRVANRVGI-UHFFFAOYSA-N 313.792 3.346 0 40 DGAB C[C@H](N[C@H](C)Cn1cncn1)c1cc2cc(Cl)ccc2o1 97034474 BCGZDQBKUYFISC-MNOVXSKESA-N 304.781 3.417 0 40 DGAB C[C@@H](O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 97232746 KISOVGAVUOGDDB-CYBMUJFWSA-N 324.380 3.119 0 40 DGAB CC[C@]12CN3CC[C@@H]1C[C@H]3[C@H](c1ccnc3ccc(O)cc13)O2 100737567 ULTQUFCPWDEOND-JNPHEJMOSA-N 310.397 3.255 0 40 DGAB COCc1cc(C(=O)Nc2c(F)cccc2F)ccc1OC 224397652 BQFYFXIVFXNXTK-UHFFFAOYSA-N 307.296 3.372 0 40 DGAB CCN(C)C(=O)c1ccc2c(c1)CN(C(=O)OC(C)(C)C)CC2 225436684 OBLFXWXHYKIYAW-UHFFFAOYSA-N 318.417 3.072 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ncccc2C)cc1 225643491 AVRDLEOJEDNIRM-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NCCSC1CCCC1 225758023 OHNSBJQEUVHAFX-CYBMUJFWSA-N 323.458 3.255 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC[C@@H](c2nnc3n2CCC3)C1 249085669 MNJMGDFYUIIOSS-BBWFWOEESA-N 314.477 3.396 0 40 DGAB Cn1cc(CN2CC[C@H](Cc3ccnc4ccccc34)C2)cn1 257239814 HQXNUBLCMXLFDR-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB COc1cc(CN2CCC[C@H]2c2nc(C)cn2C)ccc1F 257243809 IIQXNDBYDOKEDP-HNNXBMFYSA-N 303.381 3.213 0 40 DGAB CN(C)c1cc([C@@H]2CCCN2C(=O)c2ccsc2)ccn1 257256592 KMDQPFNNOPEDAQ-AWEZNQCLSA-N 301.415 3.186 0 40 DGAB CC1(C)CC[C@@H]2C[C@@H](NC(=O)CCn3cncn3)c3cccc1c32 390834126 SKODKZYMQAYJHR-CZUORRHYSA-N 324.428 3.084 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)NCCCCc2ccccc2)c1 408708496 IWXGTGOGQIEVHE-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB Cc1cccc([C@@H](C)N[C@@H]2CCCN(C(=O)N3CCCC3)C2)c1 507213845 PPAFXYMMINFDJR-SJLPKXTDSA-N 315.461 3.326 0 40 DGAB CCc1cc(O)nc(-c2ccc(N3CCC(C)(C)CC3)nc2)n1 518316376 IEMVYDKCALOZOF-UHFFFAOYSA-N 312.417 3.433 0 40 DGAB CON1CCC(Cc2nc(-c3nccc4ccccc34)no2)CC1 585133226 BGFCHSMZOFZPJD-UHFFFAOYSA-N 324.384 3.101 0 40 DGAB Clc1nc(N2CCCC2)nc(N2CCCc3ccccc32)n1 152552 ZGDMDQAOPZIVNI-UHFFFAOYSA-N 315.808 3.210 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccccc1F 500489 NXQWDQWOBMZWFE-OAHLLOKOSA-N 303.289 3.124 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)Nc2ccccc2OC)cc1 514330 SJLZTMAVENAILY-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2291962 WWPYVKGNBYMDKE-SMDDNHRTSA-N 321.373 3.241 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=S)NC[C@H]1CCCO1 2781326 AQHXDFNAYCDZNN-CYBMUJFWSA-N 322.474 3.458 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1 3228064 LHPJBSOLXYNFBG-SQWLQELKSA-N 303.402 3.093 0 40 DGAB CC(C)NC(=O)COC(=O)c1sc2ccccc2c1Cl 3320086 XIFJKRSFPMNLGC-UHFFFAOYSA-N 311.790 3.236 0 40 DGAB O=C(NCCCSc1ccccc1)c1ccc2c(c1)OCO2 3340558 AJPMBYYYEUPKOF-UHFFFAOYSA-N 315.394 3.328 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NCCC(C)C)c(C)c1 3499401 FIPPASZBFJZGCD-UHFFFAOYSA-N 308.447 3.267 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)o1)c1ccc(Cl)cc1 4107503 PWLWXPQEQDLRHT-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB Cn1cc(NC(=O)NCc2ccc3c(c2)OCO3)c2ccccc21 5265705 UQWJMIOIMJZECX-UHFFFAOYSA-N 323.352 3.229 0 40 DGAB CC(C)c1ccc(NC(=O)COC(=O)c2ccc(N)cc2)cc1 5709353 ZICVPVPDCUXJLG-UHFFFAOYSA-N 312.369 3.188 0 40 DGAB Cc1cccc(-c2nnc3sc(NC(=O)CC(C)C)nn23)c1 6818192 JXOMEEPJBASHFL-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB COc1ccc(CNC(=S)Nc2cccnc2Cl)cc1 7571120 IOMWLJAWVMQQGO-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB CCCC1(CCC)NC(=O)N(CCOc2ccc(C)cc2)C1=O 7989946 LEJXPVGGBJKSIB-UHFFFAOYSA-N 318.417 3.265 0 40 DGAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3cccc(F)c3)C2=O)cc1 8643450 DLZNQLSAQNWZRG-GOSISDBHSA-N 312.344 3.101 0 40 DGAB CC(=O)N1CCc2cc(C(=O)NC3CCCCCCC3)ccc21 8937112 DFDSNZLIJSXODM-UHFFFAOYSA-N 314.429 3.438 0 40 DGAB Fc1ccc(-c2nnc3c4cc(F)ccc4ncn23)c(F)c1 8992406 OXFOUKHNOKJYSZ-UHFFFAOYSA-N 300.243 3.362 0 40 DGAB COc1ccc(N(Cc2cc(=O)[nH]c3ccccc23)C(C)=O)cc1 9157955 YAZFBOHAFZCHPQ-UHFFFAOYSA-N 322.364 3.090 0 40 DGAB COC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)[nH]1 9199752 JBCHIAMYHVAUIV-UHFFFAOYSA-N 305.403 3.034 0 40 DGAB O=C1c2ccccc2N[C@H](c2cccs2)N1C[C@@H]1CCCO1 9477549 ISYQCVHASZADHP-LRDDRELGSA-N 314.410 3.494 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 9827752 FTSDWCSWINBXNC-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)cc1 10286880 CZPBRUKKUXWNJJ-GFCCVEGCSA-N 314.307 3.060 0 40 DGAB CN(C)c1ccc(CCNC(=O)c2ccc(F)c(F)c2)cc1 11693619 CKJSXAWAWAJAFU-UHFFFAOYSA-N 304.340 3.003 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)c2ccc(Cl)cc2)nn1 11738788 RMPNWOFUBJWXND-UHFFFAOYSA-N 321.789 3.063 0 40 DGAB O=C(Nc1nc2c(s1)CCC2)c1ccc(Br)o1 11917676 NDDGZDMDBFWUHB-UHFFFAOYSA-N 313.176 3.240 0 40 DGAB O=C(Cc1ccc2c(c1)CCO2)Nc1nc2c(s1)CCCC2 12255644 IYKYNYCEKXAFBI-UHFFFAOYSA-N 314.410 3.138 0 40 DGAB Cc1c(Nc2ccc([C@H](C)O)cc2)c(=O)n(-c2ccccc2)n1C 12543027 PTTFLVBNYZRHSP-AWEZNQCLSA-N 323.396 3.281 0 40 DGAB O=C(NCc1ccccc1)NCc1ccc(NC(=O)C2CC2)cc1 12907229 JEVJFAVGOKXEET-UHFFFAOYSA-N 323.396 3.035 0 40 DGAB Cc1nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)O)cc2s1 13249545 WYPPNVQEWMDKRP-NWDGAFQWSA-N 316.382 3.210 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)c3ccccc3F)c[nH]2)cc1 13608385 WRJFWYMOCVWJFT-UHFFFAOYSA-N 323.371 3.497 0 40 DGAB C[C@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1 13713386 AWFJJJAECLZVBJ-OKILXGFUSA-N 320.396 3.305 0 40 DGAB Cn1ncc2c(Nc3ccc(N4CCCCCC4)cc3)ncnc21 14266295 WJDZWNQFYCBBBE-UHFFFAOYSA-N 322.416 3.487 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1ccc(F)cc1Cl 18156257 QOWVMNNJACQJCL-UHFFFAOYSA-N 321.735 3.480 0 40 DGAB C[C@@H](Cn1cncc1-c1cnn(C)c1)Oc1ccccc1Cl 19719489 IFUJHLHJBMMWGV-LBPRGKRZSA-N 316.792 3.405 0 40 DGAB CC(C)C(=O)NC(=S)Nc1nc(-c2ccccc2)cs1 21596323 XPJFYRHTYSSJHP-UHFFFAOYSA-N 305.428 3.279 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)Nc3ccc(F)cc3)ccc21 22506776 OJKODASLKVAUAD-UHFFFAOYSA-N 313.332 3.379 0 40 DGAB COCc1ccccc1CNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1 25306500 XVWGZLOWAJDILV-ROUUACIJSA-N 313.372 3.392 0 40 DGAB COc1cc(CN[C@@H](C)c2ccccc2F)cc2c1OCCO2 25363115 RDEPEMMZGLLGDU-LBPRGKRZSA-N 317.360 3.456 0 40 DGAB O=C(NCc1cccnc1)N1CCC(Cc2ccccc2)CC1 25986812 SSXZLSKSFPIFBY-UHFFFAOYSA-N 309.413 3.246 0 40 DGAB O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCCC1 28707428 MVYQESHHNJFKFD-UHFFFAOYSA-N 320.436 3.481 0 40 DGAB Cc1cc(C)cc(CSCCn2nc3ccccn3c2=O)c1 28907530 XNHQVTIIISRPTC-UHFFFAOYSA-N 313.426 3.046 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@@H]1c1nnc2n1CCCCC2 29247103 KSAOEHLVFHSCPU-MRXNPFEDSA-N 324.428 3.290 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(N(C)C)nc1 29346693 OIPBDSWKXBDWAH-AWEZNQCLSA-N 315.442 3.359 0 40 DGAB COC(=O)c1ccc(C(=O)NCCc2cccc(Cl)c2)s1 31553977 VQZRQOJSWIWAMG-UHFFFAOYSA-N 323.801 3.161 0 40 DGAB O=C(O)[C@H](c1c[nH]c2cc(Br)ccc12)N1CCCC1 32071479 KSKOJXQBEWSKIW-ZDUSSCGKSA-N 323.190 3.152 0 40 DGAB Cc1ccc(-n2nc(C)c(C(=O)N(C)c3ccccc3)n2)c(C)c1 32516804 ZIJQRWXKTLZBKL-UHFFFAOYSA-N 320.396 3.469 0 40 DGAB CCc1cc2c(Oc3cccc(C(=O)NC)c3)ncnc2s1 32923458 DYCKSENIAXTDLM-UHFFFAOYSA-N 313.382 3.406 0 40 DGAB O=C(Nc1nnc(SCCc2ccccc2)s1)NC1CC1 35590146 CESAOLYKKRKUGG-UHFFFAOYSA-N 320.443 3.157 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)c1ccc(Br)o1 38565836 SWMFBOGNGONFMB-QMMMGPOBSA-N 314.204 3.465 0 40 DGAB O=C(/C=C/c1ccco1)NC[C@H](c1ccco1)N1CCCCC1 40160816 VOJQHFZOBPGTAR-ROJDOSBLSA-N 314.385 3.229 0 40 DGAB O=C(NC[C@@H]1CCOC1)c1sc2cc(F)ccc2c1Cl 40514316 QCWFQYKKWWVYMS-QMMMGPOBSA-N 313.781 3.460 0 40 DGAB Cc1nc2cccc(NS(=O)(=O)c3ccc(C)s3)c2o1 41347531 MIFUWWSKPLJUCF-UHFFFAOYSA-N 308.384 3.307 0 40 DGAB CC[C@@H](NC(=O)NCc1csc(C)n1)c1ccccc1OC 45343830 XOZOVGKMWPQWBO-CQSZACIVSA-N 319.430 3.411 0 40 DGAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccccc1F 45891126 CJUPVUOEWHFJNO-UHFFFAOYSA-N 317.389 3.350 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C[C@@H]2CCOC2)C2CC2)o1 46938034 JQXUPVMJNXZIND-JKIFEVAISA-N 317.429 3.363 0 40 DGAB CN(C)c1cc(CNC(=O)NC2CCCCCCC2)ccn1 47618751 AXQNAPAVICCOQV-UHFFFAOYSA-N 304.438 3.060 0 40 DGAB O=C(C=C(C1CC1)C1CC1)Nc1cccc(N2CCOC2=O)c1 55283485 DYGFGQMQDCREPX-UHFFFAOYSA-N 312.369 3.328 0 40 DGAB COC(=O)CNc1ccccc1NC(=O)c1ccc(Cl)cc1 55851314 PFEVTIMAVXZMDR-UHFFFAOYSA-N 318.760 3.177 0 40 DGAB Cc1cccc(C[S@](=O)CCC(=O)Nc2ccccc2)c1 58089315 CECHJCHHCWDXKZ-NRFANRHFSA-N 301.411 3.273 0 40 DGAB O=C(Cc1ccccc1O)Nc1ccc(Oc2ncccn2)cc1 58429572 AWSDLFPDTYIIRD-UHFFFAOYSA-N 321.336 3.156 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)NCc2ccoc2)c1 61349622 QDFNKKNKNYIIOK-UHFFFAOYSA-N 308.721 3.041 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cccc(C(=O)OCC(C)C)c1 61997289 VSHYNVFFECHGBU-UHFFFAOYSA-N 316.357 3.357 0 40 DGAB CC(C)(C)SCCNC(=O)c1ccc2c(c1)OCCCO2 66738784 OKFDOSJJYCFJBD-UHFFFAOYSA-N 309.431 3.109 0 40 DGAB CCOc1ncccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1OC 69392953 FAGVSVCQAOFGOX-UONOGXRCSA-N 312.369 3.231 0 40 DGAB Cc1cccc2cc(C(=O)N3CCC[C@@H](n4ccnc4)C3)oc12 69660013 OVLGWRVIBJKQEY-OAHLLOKOSA-N 309.369 3.415 0 40 DGAB Cc1cc([C@@H](C)C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)o1 69739744 HRBALTHOEOSMTH-WBMJQRKESA-N 301.390 3.097 0 40 DGAB CCO[C@H](C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 70868446 HISBQOYHOGSHGC-MRVPVSSYSA-N 309.259 3.130 0 40 DGAB COC(=O)CCCN1CCC(C(=O)c2ccc(Cl)cc2)CC1 71909493 UTDWVOGAIPGBJS-UHFFFAOYSA-N 323.820 3.188 0 40 DGAB CCN(C)c1ccc(C(=O)CCCNC(=O)OC(C)(C)C)cn1 72212700 LHQMKKZIMCIVEC-UHFFFAOYSA-N 321.421 3.025 0 40 DGAB CSCC(=O)N[C@@H](Cc1ccc(C)cc1)c1ccccn1 72285682 LHTWYNDXRZBCAU-INIZCTEOSA-N 300.427 3.153 0 40 DGAB COc1ccc(C)cc1C(=O)Nc1ccc2c(c1)NC(=O)CC2 72295836 WFGXBOLUWXMVLP-UHFFFAOYSA-N 310.353 3.141 0 40 DGAB COc1ccc(CNC(=O)c2cc(F)ccc2Cl)cc1OC 72331782 ZUXKGHAOFKJXOV-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB c1cn(-c2nccnc2[C@H]2CCCN(C3CCCCC3)C2)cn1 72350476 ZJAUAOZWWIGJQU-HNNXBMFYSA-N 311.433 3.174 0 40 DGAB O=C(Cc1ccon1)N1CCCC[C@H]1c1cc2ccccc2[nH]1 74357981 SOBLYISWDPGKJO-KRWDZBQOSA-N 309.369 3.452 0 40 DGAB CN(C(=O)CCCOc1cccnc1)c1cc(F)ccc1F 74726588 OQAFHQBBINUGBY-UHFFFAOYSA-N 306.312 3.182 0 40 DGAB C[C@@H]1C[C@@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 78570631 NIUIYONNBJSBMH-HYVNUMGLSA-N 306.494 3.439 0 40 DGAB Cc1cc(NC2CCN(c3ccccn3)CC2)nc(C(C)C)n1 78597003 MCCMQORAVOKYAQ-UHFFFAOYSA-N 311.433 3.384 0 40 DGAB CCN(CC)C(=O)CCC(=O)N1CC[C@@H](C)c2ccccc21 79069775 VHOCBDYQIMGAEM-CQSZACIVSA-N 302.418 3.175 0 40 DGAB O=C(NCc1ccccc1)N1CCc2c([nH]c3ccccc23)C1 82358933 UXWOQIDGDLPTQE-UHFFFAOYSA-N 305.381 3.436 0 40 DGAB biogenic C[C@H](Cc1nc2ccccc2s1)NC(=O)Nc1cccnc1 84641013 MBXJKQFBTIWNCR-LLVKDONJSA-N 312.398 3.444 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)c1cccc2ccccc12 85555665 LCLLZEFMXIZANI-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB CCc1nn(C)cc1NC(=O)COc1cc(C(C)C)ccc1C 91158295 LHSUVGASRAFIMA-UHFFFAOYSA-N 315.417 3.432 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)Nc1ccc2[nH]ccc2c1 95424283 ZTKBDSKKOHGNLE-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB c1ccc(Nc2nnc(SCCn3ccnc3)s2)cc1 95446195 OSGPWSSAOCYQOS-UHFFFAOYSA-N 303.416 3.271 0 40 DGAB Cc1noc(C)c1CNC(=O)N(C)[C@@H](C)c1ccccc1F 95955258 YWGQVFSJDPOSJQ-NSHDSACASA-N 305.353 3.333 0 40 DGAB CCc1ncnc(N2CC[C@@H](c3ccc(OC)cc3)C2)c1F 95981545 VTQHINUCCPJGKZ-CYBMUJFWSA-N 301.365 3.181 0 40 DGAB C[C@@H](CNCc1nnc2n1CCCCC2)c1ccc(F)cc1 95988833 KSBDOLFAWSOPJI-ZDUSSCGKSA-N 302.397 3.037 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)o1 95991815 RIFFWZFPEQKPAW-JTQLQIEISA-N 305.355 3.189 0 40 DGAB Cc1nc(CO[C@H]2CO[C@]3(CCN(CC4CCC4)C3)C2)cs1 96072406 IXBCUGMTJCVEON-IAGOWNOFSA-N 322.474 3.002 0 40 DGAB CCOC[C@H]1CC2(CCN(C(=O)c3ccc(C)s3)CC2)CO1 96105919 WZRMNDZGMJIRPV-CQSZACIVSA-N 323.458 3.104 0 40 DGAB C[C@H]1c2ncc(COCC3CC3)n2CCN1Cc1cccs1 96109735 DNCACVBCPCFVGG-ZDUSSCGKSA-N 317.458 3.448 0 40 DGAB COc1ccc(CCNC(=O)c2nc(Cl)sc2C)cc1 96223709 SWGKPGKDKPCNBY-UHFFFAOYSA-N 310.806 3.086 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cccc(Oc2cccnn2)c1 96427054 OBIRODDNPMOQQI-UHFFFAOYSA-N 324.340 3.055 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N2CCC[C@H](CCC(=O)O)C2)C1(C)C 97045099 KBXWDAXWFUPGLA-IIAWOOMASA-N 307.434 3.328 0 40 DGAB C[C@H](CC(=O)N1CCC[C@@H](CCC(=O)O)C1)c1ccccc1 97045106 YRFKUHRSBMZFMI-CABCVRRESA-N 303.402 3.284 0 40 DGAB C[C@H](Nc1cnn(C(C)(C)C)c1)C(=O)Nc1ccc(Cl)cn1 97377298 RSQPVWANMBGRAF-JTQLQIEISA-N 321.812 3.126 0 40 DGAB Brc1ccc(I)c2ocnc12 98210456 XSMNQDZRJVFEJW-UHFFFAOYSA-N 323.915 3.195 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)[C@H]1C=C[C@H]2C1 104599186 KMFAYJKAFNPNGE-VDUILEQBSA-N 307.271 3.017 0 40 DGAB C[C@]12CC[C@@]3(O)[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CC[C@H]2O 118929858 PFKKLLXEXNNDNF-VCWWSDLKSA-N 306.446 3.074 0 40 DGAB O=C(c1cn[nH]c1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 128875866 TZCVXFKCOOVXQI-UHFFFAOYSA-N 318.380 3.277 0 40 DGAB C[C@@H](CCN1CCN(CC2CCOCC2)CC1)c1ccccc1 193949693 GWRCNGBDJGWAEQ-SFHVURJKSA-N 316.489 3.224 0 40 DGAB CO[C@H](CNC(=O)Cc1c(F)cccc1Cl)c1ccco1 206862223 RVUBBNSATUFBTB-CQSZACIVSA-N 311.740 3.119 0 40 DGAB O=C(Nc1ccn2nccc2c1)c1cc(Br)cs1 217958053 PVHZHSLAZSALIR-UHFFFAOYSA-N 322.187 3.411 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 222903111 QAWMTRGGIIGDAI-LSDHHAIUSA-N 301.415 3.303 0 40 DGAB CCO[C@@]1(C(=O)Nc2ccc(OC)nc2C)CCC[C@@H](C)C1 225900172 IAPHFPBQWHYXCA-PXAZEXFGSA-N 306.406 3.323 0 40 DGAB CCCO[C@@](C)(CCC)C(=O)Nc1ccc(OCCOC)nc1 225905535 OMHMDWDNOOGXJC-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB O=C(c1c[nH]cn1)N1CCC(Cc2cnc3ccccc3c2)CC1 257293296 QOXYYKHAJNVZQM-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB Cc1ccnc([C@@H]2CCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 257311977 ULWASCXAOXPXQG-CQSZACIVSA-N 324.403 3.405 0 40 DGAB CCn1nccc1-c1cnc(CC2CCN(C(C)C)CC2)cn1 257343326 ZSKZGXPGHHTERY-UHFFFAOYSA-N 313.449 3.023 0 40 DGAB CC1(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@@H]32)CC1 585091457 ZFISZAHRDBUTJL-HCXYKTFWSA-N 324.468 3.156 0 40 DGAB OC[C@@H]1CCN(Cc2ccccc2)C[C@H]1OCc1ccccc1 1772491078 DAEQJRXBQKIVSA-VQTJNVASSA-N 311.425 3.086 0 40 DGAB CO[C@@](C)(CNc1ncnc2cnccc12)c1ccccc1F 1775971882 WKGAUURYZQOOIZ-KRWDZBQOSA-N 312.348 3.138 0 40 DGAB Cc1cc(N2CC[C@H](C(=O)NC(C)(C)C)C2)nc2ccccc12 2086864679 ABHKGFHFTAYEFK-AWEZNQCLSA-N 311.429 3.284 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ccnc3ccsc23)C1 2298187924 IORYHPOEABDCNF-LBPRGKRZSA-N 317.458 3.427 0 40 DGAB COc1ccc(-c2[nH]c(C=O)nc2Br)cc1Cl 1857794745 JAFGMPRWWJIONK-UHFFFAOYSA-N 315.554 3.314 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(SCCN(C)C)cc1)C1CC1 95396867 QTKXMNCVMOJTHY-GFCCVEGCSA-N 307.463 3.260 0 40 DGAB O=C(NC1CCCCCC1)c1nc(N2CCCC2)ncc1Cl 47536175 QCMOTAWRCVDJLC-UHFFFAOYSA-N 322.840 3.183 0 40 DGAB Cc1cccc(OCC(=O)N2CCN(c3ccccc3)CC2)c1C 577663 YMRUZUSVHSFWAG-UHFFFAOYSA-N 324.424 3.031 0 40 DGAB O=C(c1cn2ccccc2n1)N(Cc1ccco1)Cc1ccco1 42377636 UNSHCSDLSCPWEG-UHFFFAOYSA-N 321.336 3.363 0 40 DGAB Oc1ccccc1-c1nc2ccccn2c1NC[C@@H]1CCCO1 883905 HKFQCAZLZUINDW-ZDUSSCGKSA-N 309.369 3.298 0 40 DGAB O=C(CCc1ccccc1)Nc1ccc(NC(=O)C2CC2)nc1 1358485 LMTNMTNAIBUCCW-UHFFFAOYSA-N 309.369 3.001 0 40 DGAB COc1cccc(C(=O)Nc2nnc(-c3cccs3)o2)c1 4330331 IGDDCFDXRSZXCN-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB Cc1c(-c2ccccc2)sc2nc(-c3ncccn3)[nH]c(=O)c12 54753262 DISGICOFYOVYCF-UHFFFAOYSA-N 320.377 3.417 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3259993 XWHXXXNQCDMZDA-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB O=C(NCc1ccccn1)N1CCC[C@H]1CCc1ccccc1 56780137 NRKJGKCRBFJPPI-SFHVURJKSA-N 309.413 3.388 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NCCc2ccco2)cc1 48169091 AZCRLAHOEWGZGF-LBPRGKRZSA-N 305.399 3.128 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1c1ccsc1 48234167 OAGMUOGUFVUFRQ-CYBMUJFWSA-N 317.439 3.364 0 40 DGAB CC[C@H](C(=O)NCc1ccc(NC(C)=O)cc1)c1ccccc1 12787121 PVRRAHAGKLIXSG-SFHVURJKSA-N 310.397 3.455 0 40 DGAB O=C(CC(F)(F)F)Nc1cccc(OC[C@@H]2CCCO2)c1 44847592 NYJGJVMVMNESKN-LBPRGKRZSA-N 303.280 3.135 0 40 DGAB Cc1nn(C)c(Cl)c1/C=C/C(=O)N(C)Cc1ccsc1 44893757 CCRCSXCMLNIHBT-SNAWJCMRSA-N 309.822 3.115 0 40 DGAB Cc1cc(C)cc(C(=O)NC2CCN(C(=O)CC(C)C)CC2)c1 58283148 IKKGVNHKGNPASU-UHFFFAOYSA-N 316.445 3.070 0 40 DGAB Cc1c(C(=O)N(C)Cc2ccsc2)oc2c1C(=O)CCC2 44966099 AOPYJMNHTXFUOP-UHFFFAOYSA-N 303.383 3.441 0 40 DGAB O=C(CNc1ccccc1OC(F)F)N1CCc2ccccc21 3337316 ZGQACWAIBRDFCW-UHFFFAOYSA-N 318.323 3.289 0 40 DGAB O=C(CCc1ccc(F)cc1)Nc1ccn(Cc2ccccn2)n1 58327691 UANVWMOQMXGUJS-UHFFFAOYSA-N 324.359 3.037 0 40 DGAB Cc1ccc(CCC(=O)NCc2nc3ccccc3n2C)cc1 58403556 AEOPVKDVIJXFAZ-UHFFFAOYSA-N 307.397 3.131 0 40 DGAB CC(C)C(=O)NC(=S)N[C@H](C)C12CC3CC(CC(C3)C1)C2 21596341 BMXFTTDCVYMANZ-SFCYXTAJSA-N 308.491 3.238 0 40 DGAB Cc1nc2ccc(NC(=O)Cc3c(C)noc3C)cc2s1 10784254 DPYJQXLQLJGVGE-UHFFFAOYSA-N 301.371 3.391 0 40 DGAB Cc1cccc(CS(=O)(=O)N2c3ccccc3C[C@@H]2C)c1 10449986 HLGKWZDJGHRHCR-AWEZNQCLSA-N 301.411 3.276 0 40 DGAB CCN(CC)C(=O)C1CCN(Cc2cccc(Cl)c2)CC1 23382015 RWHOWGKUKFNYOU-UHFFFAOYSA-N 308.853 3.420 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@H]2CCOC2)c(C(F)(F)F)c1 84621962 FFNSPDXIYZPFSW-JTQLQIEISA-N 317.307 3.468 0 40 DGAB Cc1cc(NC(=O)CCc2ccco2)ccc1N1CCCC1=O 11748497 ZJNSIWMQEUQFBW-UHFFFAOYSA-N 312.369 3.286 0 40 DGAB C[C@@H](NCc1ccc(OC(F)F)cc1)c1nnc2ccccn12 12980756 LHOJKGGFONOJRY-LLVKDONJSA-N 318.327 3.182 0 40 DGAB O=C(Nc1cccc(N2CCCC2)c1)c1cnc2ccccc2n1 47191986 JHDLUGPWFKELIG-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB CCc1oc(C(=O)Nc2cccc(-n3cnnc3C)c2)cc1C 95450802 WUFAALYYGPCHDC-UHFFFAOYSA-N 310.357 3.292 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)c(F)c1 9385079 ZEOMTSAZKPZCLH-UHFFFAOYSA-N 320.295 3.184 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)Nc2ccc(C)c(O)c2)c1 95431721 JZUIBLMDWIWLIE-UHFFFAOYSA-N 302.305 3.050 0 40 DGAB COCc1cccc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 67664393 SRJKCPHMXDAONZ-NSHDSACASA-N 316.405 3.066 0 40 DGAB CC(C)NC(=O)c1onc(-c2ccc(Cl)cc2)c1[C@H](C)O 225436833 LTBCDKDNEAYQQH-VIFPVBQESA-N 308.765 3.187 0 40 DGAB biogenic,in-vitro Cc1cc(C)c(CNC(=O)N[C@H]2CCCC[C@H]2C(C)C)c(=O)[nH]1 71799617 NTSSHXROYZIWJX-HOCLYGCPSA-N 319.449 3.006 0 40 DGAB COCc1ccc(C(=O)N2CCOC[C@H]2c2ccccc2)cc1 96433039 DTVYHEBIJGDJJL-SFHVURJKSA-N 311.381 3.047 0 40 DGAB O=C(NCc1ccc(-n2ccnc2)cc1)c1ccc2cc[nH]c2c1 69386858 PXAAMRVCEGFFGP-UHFFFAOYSA-N 316.364 3.284 0 40 DGAB O=S(=O)(c1cc(Cl)ccc1Cl)n1cc(Cl)cn1 17032365 SMFLJFXUUXWQBU-UHFFFAOYSA-N 311.577 3.080 0 40 DGAB O=C(CSc1nncs1)N[C@@H]1CCCCc2ccccc21 69493800 FAZVDOUDOUHYIV-CYBMUJFWSA-N 319.455 3.214 0 40 DGAB CC(C)(C)c1nnc(SCCC(=O)Nc2ccccc2)o1 69457524 LALIJNDMDSXCNA-UHFFFAOYSA-N 305.403 3.488 0 40 DGAB COc1cccc(NC(=O)NC2CCN(CC=C(C)C)CC2)c1 69808526 CZAZBVJHMWZYIR-UHFFFAOYSA-N 317.433 3.247 0 40 DGAB Cc1cc2nnc(SCc3ccc(F)cc3F)n2c(C)n1 84840686 FWFXZMTUFZYWAK-UHFFFAOYSA-N 306.341 3.312 0 40 DGAB O=C1N[C@@H](C2=Cc3cc(Cl)ccc3OC2)Nc2ccccc21 8777570 LBMPXMBOWRJHBN-INIZCTEOSA-N 312.756 3.297 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CC2(C(=O)O)CCCCC2)c1 8919854 FMNDSVFSVODCGG-UHFFFAOYSA-N 318.373 3.009 0 40 DGAB Clc1ccc(CSc2nc(-c3cccnc3)n[nH]2)cn1 84425211 GKCIEZDODZAOTN-UHFFFAOYSA-N 303.778 3.207 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)Cc1cc(C)on1)CCS2 74587572 XSVKHBQIHRSENU-AWEZNQCLSA-N 302.399 3.187 0 40 DGAB CC(=O)N1CC[C@H](NCc2ccc(C(F)(F)F)cc2)[C@@H](C)C1 89937487 IRLXNXHHBBZRNB-NHYWBVRUSA-N 314.351 3.052 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)N(C)Cc2c(C)noc2C)C1 76477898 AFGBJTRJTPMRDW-OLZOCXBDSA-N 311.451 3.107 0 40 DGAB COc1ccc(Cl)cc1C(=O)N(Cc1cccn1C)C1CC1 62018285 KBXXZSAEJCTUTI-UHFFFAOYSA-N 318.804 3.492 0 40 DGAB COc1cc(C=O)ccc1OCc1nc(-c2ccc(C)cc2)no1 22120897 ZJRDUXBVRMKYQY-UHFFFAOYSA-N 324.336 3.445 0 40 DGAB Cc1cccc(CSCCNS(=O)(=O)c2ccccc2)c1 408925156 NBOTXBZBBZPTAJ-UHFFFAOYSA-N 321.467 3.207 0 40 DGAB CCc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409237903 JJKYLFREIJQTGU-SFQUDFHCSA-N 306.365 3.342 0 40 DGAB O=C(Nc1cc(Cl)ccc1O)c1cc(=O)[nH]c2ccccc12 20714998 LVPCSGYLCDMHDP-UHFFFAOYSA-N 314.728 3.139 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2cccc(F)c2)CC1 35571994 OTEHLRXXMKQSGV-UHFFFAOYSA-N 323.364 3.179 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1ccncc1Cl)C[C@H](C)O2 73121371 KDNHFUPFAXKXRK-JTQLQIEISA-N 318.760 3.171 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)c1c(F)cccc1F 72846850 ZTKJCZMRLPOGCK-UHFFFAOYSA-N 318.323 3.355 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccc(N2CCCC2)nc1 30299998 WYTKWASVRRVKKB-PKNBQFBNSA-N 307.397 3.011 0 40 DGAB OCCN1CCC[C@@H](c2cccc(-c3ccc(F)cc3)n2)C1 72357525 COVLPLBAIPZVQC-OAHLLOKOSA-N 300.377 3.059 0 40 DGAB Cc1cc(Cl)ccc1NS(=O)(=O)c1ccc2c(c1)CCN2 78403657 UPLICOOMGVOAMP-UHFFFAOYSA-N 322.817 3.417 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COc1cccc(CN)c1 36720783 GZVCFVKDXJQCAS-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB CCc1cc(S(=O)(=O)N(C)c2ccccc2)ccc1OC 74935029 CUSLFOCDYPZJER-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)N[C@@H]2CCCC[C@@H]2C)cc1 43953207 KBNJWDFQPOTSPV-SWLSCSKDSA-N 324.446 3.180 0 40 DGAB Cc1nc(CSc2nnnn2C)oc1-c1ccc(Cl)cc1 84852880 ZZPZPUHKDGBFQA-UHFFFAOYSA-N 321.793 3.119 0 40 DGAB C[C@@H]1CCCN(c2ccc(NC(=S)NC(C)(C)C)cn2)C1 223882389 IWYPMNDFTRCTKH-GFCCVEGCSA-N 306.479 3.403 0 40 DGAB CCCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)C 225554205 MHYARRJPNSOVHZ-CYBMUJFWSA-N 324.852 3.382 0 40 DGAB CC(C)(C)[C@@H](NC(=O)Cc1ccc(C(=O)O)cc1)C(F)(F)F 574010164 QMILWIVSHFBORP-CYBMUJFWSA-N 317.307 3.021 0 40 DGAB COc1ccc(C)cc1C[C@@H](Oc1ccccc1OC)C(=O)O 225118115 VPPRMJGBBINSSE-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB COc1ccc(CNC(=O)c2cc3cccc(C)c3oc2=O)cc1 226034245 HXQXOZKYMZKQSL-UHFFFAOYSA-N 323.348 3.040 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)c2ccc3c(c2)CCCC3)C1 225633885 GZVDQDMFUHATQR-MRXNPFEDSA-N 314.473 3.417 0 40 DGAB Cc1ccc(OCC(=O)N2CCC[C@H]2c2cccs2)cn1 96447917 VQMGRZNEHVDHGP-AWEZNQCLSA-N 302.399 3.194 0 40 DGAB COc1ccc(CCNC(=O)[C@@H]2CCC(=O)[C@H](C)C2)c(Cl)c1 330514036 DHXKTMWGTLDVPJ-DGCLKSJQSA-N 323.820 3.013 0 40 DGAB Fc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)cc1 96056414 VZGXIEXIPIQLHI-GUDVDZBRSA-N 319.420 3.374 0 40 DGAB COc1ccc([C@H](N)c2n[nH]c(-c3ccc(Cl)cc3)n2)cc1 95533670 LTNRKKNWRQTNOG-AWEZNQCLSA-N 314.776 3.182 0 40 DGAB O=C1C[C@]2(CCN(Cc3ccco3)C2)CN1c1cccc(F)c1 96050709 HRLNSEFCTRTQDX-SFHVURJKSA-N 314.360 3.048 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)Nc2nc(C)ns2)cc1 96441075 PIRYIUAYSDQKNB-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB COc1ccc([C@H]2CC(=O)Nc3ccc4nsnc4c32)cc1 96223269 WNFDUPIAZUPMDD-LLVKDONJSA-N 311.366 3.174 0 40 DGAB O=C1CCOC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2Cc1ccccc1 95951721 ZYNSKBKVJJHUEL-ZJOUEHCJSA-N 321.420 3.260 0 40 DGAB CC(=O)N1CCN(Cc2cccs2)[C@H](c2ccccc2)C1 257317140 VINSIBONPOYVTJ-KRWDZBQOSA-N 300.427 3.154 0 40 DGAB c1ccc(CN2CCC[C@H](Cc3cnc4[nH]ccc4c3)C2)nc1 257229247 FXIMSKPXDLLUDD-OAHLLOKOSA-N 306.413 3.413 0 40 DGAB CCCCc1nc(CN2CCC[C@@H](Cc3[nH]ncc3C)C2)c[nH]1 257248279 JCXXSRYKNSZKKX-HNNXBMFYSA-N 315.465 3.239 0 40 DGAB Cc1n[nH]c(C)c1-c1cnc(CC2CCN(C(C)C)CC2)cn1 257229166 FWYDCECJBLRNCD-UHFFFAOYSA-N 313.449 3.146 0 40 DGAB COc1c(C(=O)NCc2csc(C)n2)oc2ccccc12 252508050 XBGOCIFABMDQSS-UHFFFAOYSA-N 302.355 3.136 0 40 DGAB CN(Cc1ccccc1)C(=O)NC1CC(C)(C)NC(C)(C)C1 26180541 ZKIYRRZEZOOCIL-UHFFFAOYSA-N 303.450 3.137 0 40 DGAB c1ccc(CO[C@H]2C[C@@H]3CN(C4CCOCC4)C[C@@H]3C2)cc1 257317905 VLQPEIDBVNHXGS-DZFIZOCASA-N 301.430 3.093 0 40 DGAB O=C(CCc1cccc2ccccc12)N1CCc2ncncc2C1 96122774 JBNZDBRJNNLQJK-UHFFFAOYSA-N 317.392 3.147 0 40 DGAB O=C(c1c(F)cccc1Cl)N1CCn2nc(C3CC3)cc2C1 390832255 YFWPETPGWFHFPP-UHFFFAOYSA-N 319.767 3.209 0 40 DGAB COC(=O)/C=C/c1cc(Br)cc(C(F)(F)F)c1N 725327724 DANPDPJMFIDSFI-NSCUHMNNSA-N 324.096 3.236 0 40 DGAB Cc1noc(C)c1CC(=O)N1CC2(CC(c3ccccc3)C2)C1 1776000821 LLILFSUXWBXACF-UHFFFAOYSA-N 310.397 3.240 0 40 DGAB CCc1nc(NC(=O)Cn2nc(C)c(Cl)c2C)sc1C 48940341 LEHBXEQKPPCYMW-UHFFFAOYSA-N 312.826 3.119 0 40 DGAB COc1cc(C)c(CNCCc2ccc(C)nc2)cc1OC 83456096 DBFSRVMRAIGNKN-UHFFFAOYSA-N 300.402 3.048 0 40 DGAB O=C(CNc1cccc(CC(F)(F)F)c1)N1CCCCC1 76062127 BVRMWVOYCFILJQ-UHFFFAOYSA-N 300.324 3.216 0 40 DGAB O=C(NCc1ccc(Cl)cc1)C(=O)Nc1cccc(Cl)c1 5183973 UXZIASHWWCSLFX-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB Cc1ccccc1Cn1c(C)cc(=O)n2c3ccccc3nc12 13636976 XZKOGNDJNPJGHI-UHFFFAOYSA-N 303.365 3.314 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1Cl 14258500 ZEYLFIJYKJNANJ-UHFFFAOYSA-N 301.733 3.070 0 40 DGAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@H]2CCCO2)n1 19240139 WQLMOCLWOUFZLK-CHWSQXEVSA-N 322.455 3.092 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1cc(N)ccc1F 19736569 PBMAFDOVJQYRRW-UHFFFAOYSA-N 308.740 3.387 0 40 DGAB C[C@@H]1CCC[C@H](NS(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C 5699834 BSSXULKIYZEHRU-RULNRJAQSA-N 303.374 3.068 0 40 DGAB Cc1ccc(-c2ccsc2C(=O)OCC(=O)NC2CC2)cc1 6850293 VLWRXSCVJQVLEG-UHFFFAOYSA-N 315.394 3.159 0 40 DGAB CSc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 7745712 NIWUMTBGSDGZNM-UHFFFAOYSA-N 315.366 3.488 0 40 DGAB CCN1C(=O)CC[C@@]12CCCN(Cc1sc(C)nc1C)CC2 1565542732 YLIUELJOAGOBIM-QGZVFWFLSA-N 321.490 3.127 0 40 DGAB COc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1C 10253860 UBWCLEVBHRIVRO-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)c1cccc(Cl)c1 575616107 WKSVMIDKMOXADS-UHFFFAOYSA-N 315.760 3.227 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)s1 40050874 VUIFIRIIXILZPH-UHFFFAOYSA-N 323.801 3.460 0 40 DGAB CC(C)[C@H](NC(=O)c1ccco1)C(=O)NCCC1=CCCCC1 30945764 UTILIEREMDCPMX-INIZCTEOSA-N 318.417 3.041 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)CCc1c[nH]c2ccccc12 31594580 HYQSDDKOQTZQHZ-QGZVFWFLSA-N 322.412 3.028 0 40 DGAB CC(C)c1cc(C(=O)NCc2ccc(O)cc2)nn1C(C)(C)C 51035391 YCDSUSCYSSYYMC-UHFFFAOYSA-N 315.417 3.397 0 40 DGAB COC(=O)CCC1(C(=O)OC)c2ccccc2-c2ccccc21 405313 OACKTSPMQPSURJ-UHFFFAOYSA-N 310.349 3.079 0 40 DGAB Fc1ccc(CN2CCC(Nc3cncc(Cl)n3)CC2)cc1 53574168 JBEVQAQWRCJJRB-UHFFFAOYSA-N 320.799 3.346 0 40 DGAB Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 22864365 JPNITEQLTBDHAL-UHFFFAOYSA-N 308.381 3.370 0 40 DGAB CC1=NN(C(=O)c2ccccc2)[C@@](O)(c2ccc(Cl)cc2)C1 77969 YRAPAUPASMWWDU-KRWDZBQOSA-N 314.772 3.407 0 40 DGAB Cc1ccccc1NS(=O)(=O)C[C@@]12CC[C@@H](CC1=O)C2(C)C 143029 BWUWIAPCSTVYSV-GUYCJALGSA-N 321.442 3.132 0 40 DGAB O=C1c2ccccc2C(=O)N1CCCc1c[nH]c2ccccc12 488366 LNNLNNPQBNHWLJ-UHFFFAOYSA-N 304.349 3.397 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1cccs1 1089865 UPHBKKIPTKMFFS-QZEKMECESA-N 310.422 3.385 0 40 DGAB O=C(c1ccccc1)[C@@](O)(CN1CCCCC1)c1ccccc1 1667646 ZYMMGYFMZMBYCB-HXUWFJFHSA-N 309.409 3.243 0 40 DGAB C[n+]1ccc(Nc2ccc(NC(=O)c3ccc(N)cc3)cc2)cc1 1755784 WGROVKAXOVJYGJ-UHFFFAOYSA-O 319.388 3.089 0 40 DGAB O=C(CSc1ccccc1C(=O)O)Nc1ccc(F)cc1 3407209 SPNDUUNNSMVJOM-UHFFFAOYSA-N 305.330 3.255 0 40 DGAB O=C(OCc1cc(=O)oc2cc3c(cc12)CCC3)c1ccccn1 3510596 LKVYSHUVDADGKI-UHFFFAOYSA-N 321.332 3.034 0 40 DGAB Cc1c(C(=O)OCC(=O)N2CCCC[C@H]2C)oc2ccccc12 3550040 CWYXCTAOTZDVLA-GFCCVEGCSA-N 315.369 3.299 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1cccc(F)c1 5154032 VIKDFSUIZKSDCS-UHFFFAOYSA-N 324.355 3.303 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@H](C)c2ccccc2)ccc1F 5235071 NKUUCXGGTBZOMQ-GFCCVEGCSA-N 323.389 3.264 0 40 DGAB C[C@H](SCC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 5555790 DAAKKQHTSRFNET-ZDUSSCGKSA-N 314.410 3.386 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)c(C)c1 7057355 KSWCFUJUGLKRIJ-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CCc1ccc(CN(Cc2cccnc2)C(=O)[C@@H]2CCCO2)cc1 7778713 QELWNBSOZFBLIM-IBGZPJMESA-N 324.424 3.352 0 40 DGAB CC[C@@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(C)cc1 7792630 QYIKJJPTEKTFSR-CRAIPNDOSA-N 311.381 3.402 0 40 DGAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccc(C)cc2)cc1 8130929 DUGKPTGBIZYQPN-HNNXBMFYSA-N 312.413 3.463 0 40 DGAB O=C(NCc1ccc(C(F)(F)F)cc1)NCc1ccccn1 8165317 HSNOUESMDAWVAM-UHFFFAOYSA-N 309.291 3.100 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)Nc1cccc(OC)c1 8493551 ZECMYYLWEMPQKY-OAHLLOKOSA-N 315.369 3.500 0 40 DGAB Cc1ccc2c(CC(=O)Nc3ccccc3C(N)=O)coc2c1C 9113838 KTCNMZDMWALCKN-UHFFFAOYSA-N 322.364 3.330 0 40 DGAB COc1ccc(C)cc1-c1csc(NC(=O)CSC)n1 9337380 XOWIXJIHKDSOJB-UHFFFAOYSA-N 308.428 3.429 0 40 DGAB CCCn1c(NC(=O)c2ccc3c(c2)OCO3)nc2ccccc21 9367124 ULJAWOUIBREFQC-UHFFFAOYSA-N 323.352 3.427 0 40 DGAB Cc1ccc(NC(=O)CSc2nc(C(C)C)n[nH]2)cc1F 9514152 NMITWZXZDQSIRN-UHFFFAOYSA-N 308.382 3.106 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C 10204423 MJKSQOVCXJQITQ-MRXNPFEDSA-N 324.396 3.164 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2N1 10923214 IOJRHACZNINAOJ-CYBMUJFWSA-N 302.280 3.029 0 40 DGAB Cc1cccc(OCC(=O)Nc2onc3c2CCCC3)c1C 11914995 QEIOKERJWDDOFN-UHFFFAOYSA-N 300.358 3.188 0 40 DGAB Nc1ccccc1-c1nc(-c2ccccc2Br)n[nH]1 12554449 DBCIUTMQZIUJST-UHFFFAOYSA-N 315.174 3.483 0 40 DGAB C[C@H](O)c1nc2ccccc2n1CCOc1ccccc1F 12810719 XQGTWEWAMHBREY-LBPRGKRZSA-N 300.333 3.308 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)[C@H]1[C@H]2CC[C@H](C2)[C@H]1C(=O)O 13320652 UGIGBWPOWLIVDC-HYRRULHTSA-N 311.740 3.165 0 40 DGAB Cc1csc(NC(=O)c2c[nH]c3c(Cl)cccc3c2=O)n1 13693452 IHZKTTURJNQTPC-UHFFFAOYSA-N 319.773 3.199 0 40 DGAB C[C@@H](Oc1cccc2ccccc12)C(=O)NCc1ccccn1 13709097 MIZWGTIHEVVACB-CQSZACIVSA-N 306.365 3.319 0 40 DGAB Cc1cc(C)c2c(CN3C[C@H](C)O[C@H](C)C3)cc(=O)oc2c1 13759134 MIIGOKRLWZHBRI-OKILXGFUSA-N 301.386 3.019 0 40 DGAB biogenic C[C@H]1c2ccsc2CCN1Cc1nc2ccccc2c(=O)[nH]1 14111150 JDLWEFZFOJXPSW-NSHDSACASA-N 311.410 3.104 0 40 DGAB CNc1nnc(SCC(=O)c2c[nH]c3ccccc23)s1 14142301 LCTNEYMJWDTRIK-UHFFFAOYSA-N 304.400 3.036 0 40 DGAB Cc1ccc([C@H](CNC(=O)c2ccc(F)cc2)N2CCCC2)o1 15860224 BLSOOYFQUGCFJF-INIZCTEOSA-N 316.376 3.294 0 40 DGAB NC(=O)c1cccc(COc2ccccc2Br)c1 19507902 MBGQNJNPWXWFEX-UHFFFAOYSA-N 306.159 3.127 0 40 DGAB O=C(CCCc1nc(-c2ccccc2)no1)Nc1cccc(O)c1 20894471 PMEKPCGWLHIYRD-UHFFFAOYSA-N 323.352 3.404 0 40 DGAB CCSc1ccc(C(=O)N2CC(=O)Nc3ccccc32)cc1 21009832 NZTSMEIVYDUTAY-UHFFFAOYSA-N 312.394 3.398 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)[C@H](C)Oc3ccccc3)ccc21 22617824 JFUJVEGZLPNEQZ-ZDUSSCGKSA-N 324.380 3.002 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1sccc1-c1ccccc1 24477176 GKVBPLCDJQYJDF-UHFFFAOYSA-N 311.410 3.421 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccoc1 24563406 NGNHWSBZHPFETQ-QGZVFWFLSA-N 321.380 3.332 0 40 DGAB O=C(CN1CCCC1=O)Nc1ccccc1Oc1ccccc1 24832826 CHSZVGXGPALHBS-UHFFFAOYSA-N 310.353 3.040 0 40 DGAB COc1ccc(CNC(=O)N2CCC[C@@H]2c2cccnc2)cc1 25099806 KDSOUBGMLBLHBE-QGZVFWFLSA-N 311.385 3.137 0 40 DGAB Cc1cc(F)ccc1NCc1cc(=O)n2cc(Cl)ccc2n1 25608326 KSMFPTJWZJQBAZ-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB O=C(Nc1ccn(Cc2cccc(F)c2)n1)c1cccc(F)c1 27916650 YVVLJKDIEDPDLH-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB CC1(C)CC(NC(=O)CCCc2cccs2)CC(C)(C)N1 29787142 ZNQPFPGMMBVYNH-UHFFFAOYSA-N 308.491 3.496 0 40 DGAB Fc1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1F 32074086 LUSJVALLJSTACK-UHFFFAOYSA-N 304.281 3.391 0 40 DGAB Cc1ccc(C(=O)NCCCN2CCc3ccccc3C2)s1 32398855 UZCGOEJALJNISE-UHFFFAOYSA-N 314.454 3.235 0 40 DGAB CCN(Cc1nonc1C)C(=O)c1c(Cl)cccc1Cl 32611113 JUARJBQOXVZNJR-UHFFFAOYSA-N 314.172 3.347 0 40 DGAB Cc1noc(CCCC(=O)N[C@@H](C)c2ccc(Cl)cc2)n1 32916107 AODAJCUPYQQCLL-JTQLQIEISA-N 307.781 3.232 0 40 DGAB O=C(/C=C/c1ccccc1F)NCc1ccc(-n2cccn2)cc1 32925640 LUXKHFOZMAESAQ-DHZHZOJOSA-N 321.355 3.341 0 40 DGAB C[C@H]1CCc2c([nH]c3ccccc23)[C@@]2(N1)C(=O)Nc1ccccc12 35877800 BMFCCEQNFFZBBI-FKIZINRSSA-N 317.392 3.288 0 40 DGAB biogenic COc1cc(/C=C/c2noc(-c3ccccc3O)n2)ccc1O 36559217 RAWVTZFTGGXMBI-VQHVLOKHSA-N 310.309 3.327 0 40 DGAB CN1CCC(CNC(=O)Nc2ccc(C(C)(C)C)cc2)CC1 38489544 VSGOXUPHYGXZSO-UHFFFAOYSA-N 303.450 3.447 0 40 DGAB CC(C)Cn1c(CCNC(=O)c2ccccn2)nc2ccccc21 40184582 VUHPAJFFZUOXOB-UHFFFAOYSA-N 322.412 3.060 0 40 DGAB CNC(=O)c1cccc(NC(=O)N[C@H](C)c2ccccc2)c1C 44177736 ZRJJDBKKYPRDSS-CYBMUJFWSA-N 311.385 3.237 0 40 DGAB CCc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3)C2)n1 46087162 GKIHWKFPEQIWQQ-GFCCVEGCSA-N 319.792 3.305 0 40 DGAB CCOC(=O)C1CCN(Cc2cc(F)cc3cccnc23)CC1 46502186 WWHRHLVDDDLRJZ-UHFFFAOYSA-N 316.376 3.149 0 40 DGAB C[C@@H]1CN(c2ccc(CNc3nc4ccccc4o3)cn2)CCO1 52245769 SOPKUWWXEHEONR-CYBMUJFWSA-N 324.384 3.060 0 40 DGAB Cc1nnc(NC(=O)N2CCC[C@@H]2CCc2ccccc2)s1 56557206 RYBILSOOXTVGNQ-CQSZACIVSA-N 316.430 3.476 0 40 DGAB CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@@H](C)C(C)C 60140514 QIPLJZKVMUOVLJ-AWEZNQCLSA-N 315.417 3.062 0 40 DGAB Cc1oc(-c2ccsc2)nc1CSc1nnc(N)s1 60367261 JNTNABXAHWKJOU-UHFFFAOYSA-N 310.429 3.438 0 40 DGAB Cc1csc([C@@H]2CN(Cc3ncc(C(C)(C)C)o3)CCO2)n1 65466769 NLMSQEZFYGXVQQ-LBPRGKRZSA-N 321.446 3.311 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(Cl)c(Cl)c2)c(=O)n1C 65551814 KTBMLHHXUQQYFJ-UHFFFAOYSA-N 311.168 3.253 0 40 DGAB CC(=O)N(C)c1nc(CN(Cc2ccsc2)C2CC2)cs1 66830423 FMCGEPJFMZIKKR-UHFFFAOYSA-N 321.471 3.352 0 40 DGAB CCc1ccc(-n2cc(C(=O)NCc3cccc(C)c3)nn2)cc1 67262143 DHAPSDNVUGVSCF-UHFFFAOYSA-N 320.396 3.068 0 40 DGAB COC[C@@H](C)NC(=O)Nc1cccc(-c2nc(C)cs2)c1 69879180 PBHAUYTUQJILMJ-SNVBAGLBSA-N 305.403 3.275 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 69917540 PASNMKBAPFKWQV-INIZCTEOSA-N 322.412 3.404 0 40 DGAB COC(=O)c1ccc([C@H]2CC(O)=Nc3c2cnn3C(C)C)cc1 71283325 ATOTWGIELBWITI-CYBMUJFWSA-N 313.357 3.374 0 40 DGAB CCCc1nc(CN2CCC[C@@H]2[C@@H]2CCCN2C(C)=O)cs1 71880924 UPVMAWQNNIWKEX-CVEARBPZSA-N 321.490 3.071 0 40 DGAB Clc1cccc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 72242438 MBKIXAQVOJOZOP-KRWDZBQOSA-N 312.804 3.463 0 40 DGAB CNC(=O)c1cccc(CNC(C)(C)c2nc(C)c(C)s2)c1 72866185 GRJGXZGVWJZLCV-UHFFFAOYSA-N 317.458 3.144 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)c2cccs2)cc1OC 74611817 PYTQMHFWKFZRAR-SECBINFHSA-N 309.362 3.395 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)n[nH]1 76060527 HQFUZHNHJAJLCN-HIFRSBDPSA-N 315.417 3.438 0 40 DGAB CCOc1ccc([C@H]2CCCN2C(=O)c2cc(C)n(C)n2)cc1 77570656 KVAPHXUTZNABEG-QGZVFWFLSA-N 313.401 3.105 0 40 DGAB CC(=O)c1ccc2cc(OCC(=O)N[C@@H](C)C3CC3)ccc2c1 79013832 DUJRHFVNYLRIQG-LBPRGKRZSA-N 311.381 3.336 0 40 DGAB Cc1ccccc1[C@H](NS(=O)(=O)Cc1ccon1)C(C)(C)C 80283011 DXTWFAGYDBLSPD-HNNXBMFYSA-N 322.430 3.190 0 40 DGAB CCN1CC[C@@H](CNCc2csc(-c3ccsc3)n2)C1 84780038 UXYJHBQZGOYZRX-LBPRGKRZSA-N 307.488 3.303 0 40 DGAB CSCc1cc(F)ccc1CNC(=O)CC[C@@H]1CCCO1 87435489 PYBDQTLOKUWPOZ-HNNXBMFYSA-N 311.422 3.264 0 40 DGAB O=C(O)[C@@H]1CCCN1CCCOc1cccc(C(F)(F)F)c1 89780703 FFOVOXWUOSIWHP-ZDUSSCGKSA-N 317.307 3.023 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCN1CCCN(CC(F)(F)F)CC1 89927801 BFBAKXMKZDHVNZ-GJZGRUSLSA-N 322.415 3.152 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1CC[C@@H](C)C[C@H](C)C1 95434938 YVCIXZQXJLMJNZ-OLZOCXBDSA-N 307.438 3.302 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2ncc(Cl)n2C)cc1Cl 95466114 LMTWYYZOBACOIT-UHFFFAOYSA-N 312.200 3.308 0 40 DGAB Fc1cc(F)c(CNc2nnc(-c3ccncc3)o2)cc1F 95943122 SGXJPXFCWCMTJM-UHFFFAOYSA-N 306.247 3.161 0 40 DGAB Fc1ccc(-n2nc(-c3nc(C4CC4)no3)c3c2CCC3)cc1 95955930 IXDLQZUIASQRSU-UHFFFAOYSA-N 310.332 3.428 0 40 DGAB CCn1cc(N[C@H](C)CC(=O)Nc2cccc(C)c2C)cn1 95991742 RRHZLWPEAPUHRT-CYBMUJFWSA-N 300.406 3.349 0 40 DGAB Cn1cccc1C(=O)N1CCC[C@]2(C[C@@H](c3ccccc3)CO2)C1 96073472 YGACIMYGOSVJPC-XLIONFOSSA-N 324.424 3.204 0 40 DGAB Cc1ccc(CN(C(=O)CCn2ccccc2=O)C2CC2)cc1C 96418930 XPTBUSPIDXQNGF-UHFFFAOYSA-N 324.424 3.046 0 40 DGAB CC[C@@H](C)c1cc(C(=O)Nc2ccc(-c3nnco3)cc2)on1 96422283 RKXUCPQMSYIWLG-SNVBAGLBSA-N 312.329 3.490 0 40 DGAB C[C@H](S[C@@H]1CCCN(c2cnn(C)c2)C1=O)c1cccs1 96424933 XFKNNMBJMCLRAI-SMDDNHRTSA-N 321.471 3.471 0 40 DGAB Cc1ccc(CCNC(=O)N2C[C@@H](C)[C@@H]2c2ccccc2)cn1 96440076 RCVLFXSJAAANCX-RDTXWAMCSA-N 309.413 3.335 0 40 DGAB O=C(NC[C@@H]1C[C@H]1c1ccccc1)Nc1ccn(CC(F)F)n1 96452290 SFBXRYUJFHQHMZ-STQMWFEESA-N 320.343 3.073 0 40 DGAB C[C@H]1CN(C)c2ccccc2CN1C(=O)CCCc1ccccn1 96459152 MVBJIRDZWBMTFP-INIZCTEOSA-N 323.440 3.271 0 40 DGAB Cc1nccn1-c1ccc([C@H](C)NC[C@H](O)c2ccco2)cc1 96476534 NXUZUQOZHLISES-GUYCJALGSA-N 311.385 3.158 0 40 DGAB Cc1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1C 96621688 OIBREWGIMOLSCT-UHFFFAOYSA-N 311.381 3.281 0 40 DGAB Cc1cccc(C)c1N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 96685786 HQQUVIWSAICNGS-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2cc(C(F)(F)F)ccc2F)o1 97015292 RKNVQYJHYPBYNZ-LURJTMIESA-N 318.226 3.454 0 40 DGAB Cc1nnc(CN[C@H](C[C@H]2CCOC2)c2ccccc2)s1 97033631 AOYKXYYOCPZOKK-UKRRQHHQSA-N 303.431 3.104 0 40 DGAB COCc1cccc(NC(=O)N[C@H]2CC(C)(C)OC2(C)C)c1 97047255 PKOLRVXFFMWIHQ-AWEZNQCLSA-N 306.406 3.301 0 40 DGAB CCOCC(=O)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086536 LYWMKEUFVGWGGZ-GFCCVEGCSA-N 301.308 3.058 0 40 DGAB C/C(=C\C(=O)Nc1ccccc1NC1CCN(C)CC1)C1CC1 98052715 MCJMBITZRXWRTR-BUHFOSPRSA-N 313.445 3.488 0 40 DGAB Cn1/c(=N/C(=O)c2ccc(F)cc2)sc2cccc(F)c21 100909193 HKNRINBBCUJGDN-SDXDJHTJSA-N 304.321 3.259 0 40 DGAB COc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)c(C)c2)C1=O 101275836 CNEBJASGERDVBG-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB CC1(C)CC2=Nc3nonc3N[C@H](c3ccncc3)C2=C(O)C1 102749348 SUIPXEQXMNSTLD-CYBMUJFWSA-N 311.345 3.336 0 40 DGAB CCc1nccn1[C@@H]1CCCN(CCOc2ccccc2F)C1 106216771 JGWREDICEDDJMT-OAHLLOKOSA-N 317.408 3.301 0 40 DGAB Cc1ccccc1C1CCN(CC(=O)N2CCCCC2)CC1 106861424 UMFHYPVWISJVFW-UHFFFAOYSA-N 300.446 3.187 0 40 DGAB Cc1cccc(CN2[C@H]3COC[C@H]2CC(OCC2CC2)C3)c1 106933343 DUJNDILGORWJGF-QZTJIDSGSA-N 301.430 3.153 0 40 DGAB C[C@]1(O)CC[C@H]2[C@@H]3CC[C@H]4C[C@@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@@]21C 118936503 MCXPKMFJUSQFTA-PLGIPCSUSA-N 320.473 3.130 0 40 DGAB Cc1nc(C)c(CN2CCN(c3ccccc3F)CC2)s1 172729165 FOMROHKXMFSFFP-UHFFFAOYSA-N 305.422 3.221 0 40 DGAB O=C(c1ccncc1)N1CCc2cc(Br)ccc2C1 191585506 BKHDTWIYZWFOBX-UHFFFAOYSA-N 317.186 3.043 0 40 DGAB CC1(C)CC(=O)[C@@H]2C(c3ccccc3Br)=NN[C@H]2C1 228926679 CAAMJDRIIAZLLW-WCQYABFASA-N 321.218 3.130 0 40 DGAB CNc1cncc([C@@H]2CCCN2Cc2ccc3[nH]ccc3c2)n1 257261113 LFTJZSRNJRCANO-KRWDZBQOSA-N 307.401 3.337 0 40 DGAB CNc1cnc(C[C@@H]2CCCN(C(=O)c3ccccc3)CC2)cn1 257324768 WQBOCGJJIVNVSW-OAHLLOKOSA-N 324.428 3.003 0 40 DGAB CCOC(=O)Cc1c[nH]c2c(F)cc(Br)cc12 261181650 CVUFKXWCOZUCGG-UHFFFAOYSA-N 300.127 3.175 0 40 DGAB COc1ccccc1-c1cnc2n1C[C@]1(CCN(C3CCC3)C1)C2 306125151 CIBVZMRVZZADBF-HXUWFJFHSA-N 323.440 3.359 0 40 DGAB N#Cc1ccc(NC(=O)NCc2cccc(CO)c2)cc1Cl 390833520 IRGFJQGVSUGTDO-UHFFFAOYSA-N 315.760 3.026 0 40 DGAB CCCCn1c(O)nnc1SCc1cnc(Cl)c(F)c1 521395264 MIGAFNBYWXEXHJ-UHFFFAOYSA-N 316.789 3.264 0 40 DGAB CCc1nc(SCc2cccc(C(=O)OC)c2)nc(O)c1C 576887661 MRDXEJLAZAJHHS-UHFFFAOYSA-N 318.398 3.132 0 40 DGAB Cc1ccccc1[C@H]1CCN(c2nc(C(=O)O)c(C)s2)C1 578239687 PBABTNHVGGZHTB-LBPRGKRZSA-N 302.399 3.452 0 40 DGAB COc1ccc([C@H]2OCC[C@@H]2N[C@@H](C)c2ccsc2)cn1 585090429 MVBRNSBFHSUGQX-HZUKXOBISA-N 304.415 3.333 0 40 DGAB COC(=O)Nc1cccc(N[C@H](C)Cc2ccnc(OC)c2)c1 585141204 RJYGQCCBMPSCCI-GFCCVEGCSA-N 315.373 3.312 0 40 DGAB O=C(COc1ccc(F)cc1)N1CC[C@H](c2cccs2)C1 826588502 BZHSXIQUXHYGAJ-LBPRGKRZSA-N 305.374 3.282 0 40 DGAB Clc1cnc(NC[C@H](c2ccsc2)n2cccn2)nc1 1775970772 QWFXUNJZMVSTFX-GFCCVEGCSA-N 305.794 3.090 0 40 DGAB Clc1cc2c(s1)CCN(c1ncnc3cnccc13)C2 1776001277 JGAZGSCLRKXHJS-UHFFFAOYSA-N 302.790 3.302 0 40 DGAB CNc1nnc(SCc2ccc(Cl)cc2Cl)n1C 54156 RVSRPBMDFQBHCH-UHFFFAOYSA-N 303.218 3.456 0 40 DGAB Cc1nc(-c2c(C)oc3c4c(ccc3c2=O)OCCO4)cs1 518490 OQPPKNXLWZLHDW-UHFFFAOYSA-N 315.350 3.305 0 40 DGAB biogenic Cc1ccc(NC(=O)[C@@H]2CCCN(c3nccc(C)n3)C2)c(C)c1 1358074 YGJAAAINTBOHNE-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB CCc1ccc(C(=O)CSc2nc(-c3ccncc3)n[nH]2)cc1 2479302 UPISSJKTBJGBFN-UHFFFAOYSA-N 324.409 3.404 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)cc1 2710437 QCMBDULVVVJLAI-UHFFFAOYSA-N 303.427 3.399 0 40 DGAB CC(=O)c1ccc(/N=c2/scc(C)n2C[C@@H]2CCCO2)cc1 3336340 YVULFIRAOJPNBV-FWSRSQSESA-N 316.426 3.472 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)c(N)c1 3451453 BKFJITCSFQNIQK-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](Cc2ccsc2)C[C@H]1C(=O)O 4241542 IIESDVPCWUNUMR-NEPJUHHUSA-N 311.403 3.001 0 40 DGAB CC[C@H]1CN2CC[C@@]34c5ccccc5N5C(=O)CC=C([C@H]1C[C@H]23)[C@H]54 4568916 GWARICYURZSFAG-RGTVFCOUSA-N 320.436 3.104 0 40 DGAB Cc1ccc(S(=O)(=O)Oc2ccc(C=O)cc2Cl)cc1 4723728 GYEVCMPVACYZRT-UHFFFAOYSA-N 310.758 3.229 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)c1occ2c1OCCO2 4751381 QQYHQDDUIXMWCY-UHFFFAOYSA-N 313.231 3.322 0 40 DGAB O=c1c(C2OCC3(CO2)C[C@H]2C=C[C@@H]3C2)coc2ccccc12 4788795 RUCWEYBMCQHPJC-BFZHTFRTSA-N 310.349 3.421 0 40 DGAB CC(C)=CC(=O)OCC(=O)Nc1ncc(Cl)c(C)c1Cl 4870746 JQUZUTMANJAAOC-UHFFFAOYSA-N 317.172 3.145 0 40 DGAB C[n+]1ccccc1/C=C/c1cc2c(cc1Br)OCO2 5002324 CNNLUCZCAULZSM-AATRIKPKSA-N 319.178 3.173 0 40 DGAB O=C(Nc1ccc2c(c1)N1CCN=C1S2)c1cccs1 5616485 UFJGXSBEESMIDU-UHFFFAOYSA-N 301.396 3.282 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccccc2F)c(F)c1 6059155 VZOJABGTPQKXRH-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB C[C@H](NC[C@@H](O)COc1ccccc1Cl)c1ccccc1 6454941 ZYFHGZJQRRTHOF-DZGCQCFKSA-N 305.805 3.431 0 40 DGAB O=C(Cc1ccc(F)cc1)OCC(=O)c1c[nH]c2ccccc12 6887124 NFXXUVZHHSLCCR-UHFFFAOYSA-N 311.312 3.276 0 40 DGAB CCCCN(CCCC)C[C@H](O)COCc1cccc(OC)c1 6936596 RGAWRPVBUPXILW-SFHVURJKSA-N 323.477 3.475 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cn1c(C)cc2ccccc21 6964449 SPYXNIFAYKBDMH-UHFFFAOYSA-N 322.364 3.375 0 40 DGAB COc1ccc(C(=O)N[C@@H]2CCOc3ccccc32)c(F)c1 7280206 PWUKBFJFCYKCKT-OAHLLOKOSA-N 301.317 3.088 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2cc(C)cc(C)c2)cc1 8558189 HDOBUJVDJKUTJR-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB CCc1nnc(NC(=O)c2ccc(C)c(-n3cccc3)c2)s1 8708270 ARKXXLMCZGIGNS-UHFFFAOYSA-N 312.398 3.452 0 40 DGAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1ccccc1F 8728937 SMUUPIMXGCHFNH-UHFFFAOYSA-N 310.328 3.281 0 40 DGAB O=C1N[C@@H](c2c[nH]nc2-c2ccc(F)cc2)Nc2ccccc21 8778840 ZADNAYZNZPYTFG-INIZCTEOSA-N 308.316 3.070 0 40 DGAB O=C(CC1CCCCC1)NC[C@@H]1CC(=O)N(c2ccccc2)C1 8924421 OUKWEIRFEDQINM-INIZCTEOSA-N 314.429 3.126 0 40 DGAB C[C@@H](NC(=O)c1ccccc1)C(=O)N1CCC[C@@H]1c1ccccc1 9895827 KLLBKMSEKFXJNI-CRAIPNDOSA-N 322.408 3.169 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCCN2CCCCCC2)c1 10111312 XDARBNYXEUHAJL-KRWDZBQOSA-N 318.461 3.145 0 40 DGAB O=C(Nc1cnc2ccccc2c1)c1ccc2c(c1)OCCO2 12528598 IITLRVDAQFNRNB-UHFFFAOYSA-N 306.321 3.258 0 40 DGAB O=C(NCc1ccc(C(F)(F)F)cc1)c1n[nH]c2c1CCCC2 12544366 STWORMANWTYAPE-UHFFFAOYSA-N 323.318 3.237 0 40 DGAB Cc1ccc2nc(S[C@H](C)C(=O)N3CCCCC3)[nH]c2c1 12546397 FEGPRABTGMVBOF-GFCCVEGCSA-N 303.431 3.364 0 40 DGAB C[C@H]1CCc2sc(C(=O)NCCCCCC(=O)O)cc2C1 12794413 OZAAWOBLDYNPER-NSHDSACASA-N 309.431 3.248 0 40 DGAB CON(C)C(=O)c1cc(-c2ccccc2)nn1-c1ccccc1 12806895 WUYVWEIANCCSMZ-UHFFFAOYSA-N 307.353 3.173 0 40 DGAB COc1cccc(OC)c1C(=O)NCCCc1ccc(F)cc1 13670674 VLXLXSKCHVQIJO-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)CCCC3)c1 14200980 PGSHYADPFLAZDN-UHFFFAOYSA-N 308.381 3.177 0 40 DGAB CCOCCCNC(=S)Nc1ccc(OC)c(Cl)c1 16182787 PGVBDFXKJSRASW-UHFFFAOYSA-N 302.827 3.062 0 40 DGAB COc1cc(CO)ccc1OCc1nc2ccccc2nc1C 16265413 TZTLYDDJHZUZPY-UHFFFAOYSA-N 310.353 3.018 0 40 DGAB CCCNC(=O)[C@H](C)NC(=O)c1oc2c(Cl)cccc2c1C 17800863 PCIZMJPAHDIQLI-JTQLQIEISA-N 322.792 3.039 0 40 DGAB O=C1CC[C@@H](NCc2ccsc2)[C@H](c2cc(F)cc(F)c2)N1 19406548 HNUWBNWIRBHSII-ZBFHGGJFSA-N 322.380 3.136 0 40 DGAB Cc1cc(C)c2nc3c(cc2c1)CN(C[C@H]1CCCO1)C(=O)O3 19568329 ORAWMJXSQOCFJY-OAHLLOKOSA-N 312.369 3.345 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C)cc1)C3 20632507 JKYWIPJJBKPEFQ-CQSZACIVSA-N 320.396 3.298 0 40 DGAB CCCC(=O)Nc1ccc2nc(C)n(-c3ccccc3)c(=O)c2c1 23143736 HHKLEDOEBDHHPC-UHFFFAOYSA-N 321.380 3.433 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COc1ccc2c(c1)CCC2 26781553 BLXHPQHXJOYOKB-RVKKMQEKSA-N 303.446 3.178 0 40 DGAB O=C(Nc1nn(Cc2ccc(F)cc2)cc1Cl)C1CCC1 28305892 GQMNNBQVEWAZNF-UHFFFAOYSA-N 307.756 3.463 0 40 DGAB O=C(NCCOc1ccc(F)cc1)NCc1ccc(Cl)cc1 28995800 XWWSZCWPOLWULG-UHFFFAOYSA-N 322.767 3.357 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1cccc(Oc2ncccn2)c1 32027149 ROZGQLFSCDXNLF-UHFFFAOYSA-N 324.340 3.055 0 40 DGAB Cc1cc(Sc2ccc3c(c2)OCCCO3)n2ncnc2c1 32853437 DXNRKYMUNUVCKY-UHFFFAOYSA-N 313.382 3.350 0 40 DGAB C[C@H](NC(=O)c1cc(F)cc(Br)c1)c1cccnc1 36395173 FFCVBQACWYHEOR-VIFPVBQESA-N 323.165 3.474 0 40 DGAB O=C(CNC(=O)c1cc(Cl)ccc1Cl)Nc1ccccc1 40555174 CGSITDSXPOJAEZ-UHFFFAOYSA-N 323.179 3.362 0 40 DGAB CCc1ccccc1NC(=O)C(=O)NCc1cccc(Cl)c1 42646461 GCPOFNLYHSXZCD-UHFFFAOYSA-N 316.788 3.157 0 40 DGAB CC(C)Oc1cccc(CNC(=O)COc2ccc(F)cc2)c1 46663967 DNPFQHJFFSLHAZ-UHFFFAOYSA-N 317.360 3.308 0 40 DGAB Cc1cc(CS(=O)(=O)c2cc(Cl)ccc2Cl)on1 48332310 YXFHBDOYHYZWBT-UHFFFAOYSA-N 306.170 3.264 0 40 DGAB COc1ccc(CNc2nc3ccccc3o2)c(OC)c1OC 52444816 AQXJJRDYHSLQCC-UHFFFAOYSA-N 314.341 3.466 0 40 DGAB Cc1ccc([C@H](C)N(C)Cc2cc(=O)n3ccsc3n2)s1 53213084 IIMSKKDHVGHNKX-NSHDSACASA-N 319.455 3.319 0 40 DGAB CO[C@H](C)C(=O)N1CCC(c2nc3ccccc3s2)CC1 54937825 NUEJGRLYIXDVTC-LLVKDONJSA-N 304.415 3.037 0 40 DGAB COc1ccc(NS(=O)(=O)c2cc(C)c(OC)cc2C)cc1 55547869 UUJPWTGWCMXVQC-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)c(C)c2)cc1N 57340505 SDRUHNIAQBOXML-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB COc1ccccc1NC(=O)CN[C@@H](C)c1cccc(F)c1 57456786 QRZVOCKHHHKHNU-LBPRGKRZSA-N 302.349 3.124 0 40 DGAB O=c1ccc(C(F)(F)F)cn1Cc1ccn(-c2ccccc2)n1 58328694 YFUIUAPIPLEHKG-UHFFFAOYSA-N 319.286 3.101 0 40 DGAB CC(=O)NC(C)(C)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl 65565181 FQPRPDCEGVVMFV-QMMMGPOBSA-N 317.216 3.085 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN1CCc2cncnc2C1 69557598 SHIIQMJYIYEUJV-UHFFFAOYSA-N 312.398 3.060 0 40 DGAB Cc1sc2ncnc(N3CCC[C@@H]3Cn3cccn3)c2c1C 69626711 RCIZUWJNIOKUDU-CYBMUJFWSA-N 313.430 3.174 0 40 DGAB CC(=O)Nc1ccc(CCNC(=O)c2ccccc2Cl)cc1 71799940 VRGDVYHACYMYCY-UHFFFAOYSA-N 316.788 3.271 0 40 DGAB Cc1ccc(C2=CCN(CC(=O)N3CCCC[C@H]3C)CC2)o1 72342264 BPBFEQMHFAWIPO-CQSZACIVSA-N 302.418 3.078 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CCC(c2cnccn2)CC1 72386321 PJILBOKEKRYCMI-UHFFFAOYSA-N 309.360 3.008 0 40 DGAB CCn1cc(C(=O)N(Cc2cccnc2)c2ccc(F)cc2)cn1 74507311 QSTLWMXRNBYHLK-UHFFFAOYSA-N 324.359 3.284 0 40 DGAB COc1ccc(CNC(=O)Cc2ccc(C)cc2C)cc1OC 74960087 WWDRHRNPQAXGPZ-UHFFFAOYSA-N 313.397 3.180 0 40 DGAB CC[C@@H](Nc1ccc(Oc2ccc(Cl)cn2)cc1)C(N)=O 76084446 MLAJAIOTFDMJRE-CYBMUJFWSA-N 305.765 3.203 0 40 DGAB COc1ccc(CNCc2cccc(N(C)C)c2)cc1OC 78552681 BZDQSZWIOZBIBS-UHFFFAOYSA-N 300.402 3.060 0 40 DGAB CCC(=O)Nc1cccc(C(=O)OCc2scnc2C)c1 78984836 LLNUAQWCPSTSQX-UHFFFAOYSA-N 304.371 3.157 0 40 DGAB Cc1ccc(NC(=O)Nc2ccccc2S(C)(=O)=O)cc1 79101329 ATLYBFDEUVHUAE-UHFFFAOYSA-N 304.371 3.043 0 40 DGAB Cc1noc(Cl)c1CC(=O)N[C@@H](C)c1ccc(F)c(F)c1 79336351 HLLWSECYXSCQPM-ZETCQYMHSA-N 314.719 3.335 0 40 DGAB COCCn1nc(C)c(NC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1C 79659792 MMJKTOBFLDWIAB-CABCVRRESA-N 319.449 3.323 0 40 DGAB C[C@H](Cc1ccc(O)cc1)NCc1ccccc1-n1cccn1 84659076 ISXDPTGCTZYAGZ-OAHLLOKOSA-N 307.397 3.299 0 40 DGAB O=C1C[C@H](c2nc(-c3cc4ccccc4o3)no2)CN1CC1CC1 88337978 RQEZZWMISWNPDR-ZDUSSCGKSA-N 323.352 3.209 0 40 DGAB COCc1cc(C(=O)N2CCC(=Cc3ccccc3)CC2)no1 89420316 DINBBXOMXKTPDN-UHFFFAOYSA-N 312.369 3.141 0 40 DGAB CCCNC(=O)CCCC(=O)N1CCC[C@@H]1c1cccc(F)c1 89960176 FQIZBYRAJXMNEH-MRXNPFEDSA-N 320.408 3.186 0 40 DGAB OCc1ccc(CN2CCCCC[C@@H]2C[C@H](O)c2ccco2)o1 91963119 GZIXAZMYVVCAJR-PBHICJAKSA-N 319.401 3.233 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccccc1)N(c1ccc(O)cc1)C2=O 95101378 QSQAGYOLQWFJHS-QGZVFWFLSA-N 305.337 3.174 0 40 DGAB COc1ccc(Cc2c(C)nc(NCc3cc[nH]n3)nc2C)cc1 95356578 BLJCDFQWFKDWEH-UHFFFAOYSA-N 323.400 3.028 0 40 DGAB CC(C)[C@@H](N)c1n[nH]c(COc2ccc(C(C)(C)C)cc2)n1 95534793 LQAJTDHLNPBDPY-OAHLLOKOSA-N 302.422 3.337 0 40 DGAB COC(=O)c1ncc(C(F)(F)F)cc1NC(=O)OC(C)(C)C 95918006 CXZZIUKPAXFEPP-UHFFFAOYSA-N 320.267 3.234 0 40 DGAB C[C@@H](C(=O)O)N(C)C(=O)c1csc(-c2cccc(Cl)c2)n1 95970100 XTIAJTLPVLXFQY-QMMMGPOBSA-N 324.789 3.009 0 40 DGAB O=C(CC(F)(F)F)N[C@@H]1CCCc2cn(C3CCCC3)nc21 96003028 LLKMYRFENCYODF-GFCCVEGCSA-N 315.339 3.444 0 40 DGAB Cc1ccc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)o1 96057001 CKHUCMLMMYHWJX-RTBURBONSA-N 319.445 3.386 0 40 DGAB c1ccc(COC[C@@]23CCC[C@@H]2CN(Cc2ccccn2)C3)nc1 96111045 DKNDBWPPXXVSHY-XLIONFOSSA-N 323.440 3.296 0 40 DGAB C[C@@H](C(=O)N(C)[C@H](C)c1ccncc1)N1CCc2ccccc2C1 96412362 QHTPDZYJNXSOTL-CVEARBPZSA-N 323.440 3.048 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc2ccccc2o1 97000223 URELPXJEAMHCLY-ZDUSSCGKSA-N 301.342 3.292 0 40 DGAB O=c1[nH]c2ccccc2nc1CN(Cc1cccs1)C1CC1 97201390 DFOPHBSZKWVYNC-UHFFFAOYSA-N 311.410 3.149 0 40 DGAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC[C@@H]1C[C@H]2C=C[C@H]1C2 101543590 MKUFXMFEORAQGN-NSOKGPEJSA-N 311.473 3.094 0 40 DGAB COc1ccccc1[C@@H]1OC2=Nc3cc(C)c(C)cc3N[C@@H]2C1=O 104239765 SRDLUXISUFLKDM-AEFFLSMTSA-N 322.364 3.477 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)cc1 104879117 AYPBFCFBAGVZNH-MELADBBJSA-N 321.442 3.245 0 40 DGAB Cc1noc(C)c1[C@H](C)CN[C@@H](C)c1ccc([S@](C)=O)cc1 211272017 BHZWPJKSKUHWQP-DMDKVIGKSA-N 320.458 3.483 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)NCCC(C)C 222905456 OGLYUPVHZIZICT-AWEZNQCLSA-N 322.424 3.115 0 40 DGAB Cc1ccc(CNC(=S)Nc2ccc(N3CCCC3)nc2)o1 223906411 BYHUJCGUPILTRX-UHFFFAOYSA-N 316.430 3.070 0 40 DGAB COc1ccc(C(=O)NCCOc2cccc(C)c2C)cc1C 223966881 WYXSXRINPMPFAX-UHFFFAOYSA-N 313.397 3.429 0 40 DGAB O=C(NCc1cnn2c1CCCC2)c1cc2ccccc2s1 225611540 ROVYDCIZTYKKOG-UHFFFAOYSA-N 311.410 3.364 0 40 DGAB CCC(=O)N(Cc1ccc(F)cc1)[C@H](CC)C(=O)N[C@@H](C)CC 225666299 XZDHLKDTZJXGMY-XJKSGUPXSA-N 322.424 3.258 0 40 DGAB Cc1cc(Oc2ccccc2)nc(NC(=S)NC2CC2)n1 226004384 MTHIJKMARFBIJY-UHFFFAOYSA-N 300.387 3.026 0 40 DGAB C[C@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1ccccc1 244998643 KNPQXIJKBPHZLB-CYBMUJFWSA-N 315.394 3.342 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@H](C)CC(=O)c2ccc(F)cc2)CCO1 248419632 VJNZAGFUPVBRLR-XNRPHZJLSA-N 321.392 3.108 0 40 DGAB Cc1cc2cn[nH]c2cc1NC(=O)[C@H]1CCCc2cccnc21 252498706 RJACMYDUWAPMMB-AWEZNQCLSA-N 306.369 3.325 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3cccs3)=NO2)C1 252515778 NIIBMPUBSRZPEX-HSMVNMDESA-N 306.431 3.136 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ccc1C(=O)NC[C@@H]1CCCO1 257173877 ZUOBAAFWTHYPMJ-HNNXBMFYSA-N 314.360 3.105 0 40 DGAB c1csc(-c2n[nH]cc2CN2CCC[C@H]2c2ccncn2)c1 257272465 NCNCCVMTNBLZMI-AWEZNQCLSA-N 311.414 3.265 0 40 DGAB C[C@H](CC(=O)O)CC(=O)N1CCCC[C@@H]1Cc1ccc(F)cc1 571060124 JFPOPFQFBXITGN-XJKSGUPXSA-N 321.392 3.250 0 40 DGAB CC(C)(C)c1cnc(CN2CC(O)(c3ccccc3)C2)s1 585085014 IHECQAOUOAIKFF-UHFFFAOYSA-N 302.443 3.144 0 40 DGAB Cc1nc(CNc2ccc(NC(=O)C3CC3)nc2)sc1C 893383636 WAPSGCJHTYDOFB-UHFFFAOYSA-N 302.403 3.116 0 40 DGAB COc1cc(Br)c(Br)cc1C(C)=O 953039173 NQQZPWRKFLKVAC-UHFFFAOYSA-N 307.969 3.423 0 40 DGAB COc1ccc2[nH]c(CN3CC[C@@H](c4ncc(C)[nH]4)C3)cc2c1 1848352262 YZXSKBMFWZURNR-CYBMUJFWSA-N 310.401 3.198 0 40 DGAB O=C(NC1CCCCC1)N1CCc2nc3ncccc3cc2C1 1889927805 JFGVDHDOWAWHFS-UHFFFAOYSA-N 310.401 3.030 0 40 DGAB O=C(CSc1ncn(-c2ccccc2)n1)c1cccs1 446541 UMNFXMBKXPZOQX-UHFFFAOYSA-N 301.396 3.304 0 40 DGAB C[C@@H](O)C[C@@H](c1ccccc1)c1c(O)c2ccccc2oc1=O 3875291 ZUJMMGHIYSAEOU-DOMZBBRYSA-N 310.349 3.401 0 40 DGAB in-vivo c1csc(Cc2nc3c4c5c(sc4ncn3n2)CCC5)c1 4785160 XAWLKDWLWXWABN-UHFFFAOYSA-N 312.423 3.480 0 40 DGAB Cc1sc2nnn(Cc3ccc(Cl)cc3)c(=O)c2c1C 5009886 MQYQBRBLKBCNSE-UHFFFAOYSA-N 305.790 3.172 0 40 DGAB COc1cccc(C2=NO[C@@H](C(=O)N[C@H](C)c3ccccc3)C2)c1 5029594 GEBTVPGQETWCRB-FZKQIMNGSA-N 324.380 3.066 0 40 DGAB CCN1CCC[C@@H]1CNc1ncnc2c1[nH]c1ccc(C)cc12 5177096 UOWSOTBHKOLRQG-CYBMUJFWSA-N 309.417 3.316 0 40 DGAB CCc1c(C)sc2[nH]c(=S)n(C[C@@H]3CCCO3)c(=O)c12 6006215 KXKJAERVMXBKKD-VIFPVBQESA-N 310.444 3.170 0 40 DGAB Fc1ccccc1Cc1nnc2n1N=C(c1ccccc1)CS2 6227609 CRIYJTPQODAUKZ-UHFFFAOYSA-N 324.384 3.366 0 40 DGAB O=C(CCc1nc2ccccc2o1)Nc1nnc(C2CC2)s1 8071968 VSZRBLKHVMPZOY-UHFFFAOYSA-N 314.370 3.128 0 40 DGAB C[C@@H](NC(=O)C1=COCCO1)c1cc(F)c(Cl)cc1Cl 9314278 GBSAVAHNGKJNPI-SSDOTTSWSA-N 320.147 3.198 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2ccc(N3CCCC3)cc2C)c1 11574354 UTEPLMBHRSJSHK-UHFFFAOYSA-N 311.385 3.378 0 40 DGAB Cc1cc(C(=O)COc2ccccc2C(N)=O)c(C)n1C(C)C 14273628 OQYQUOGLGMUDSD-UHFFFAOYSA-N 314.385 3.046 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@H](c2ccco2)N(C)C)cc1 15831468 KUFZKDVBEOAWCI-MRXNPFEDSA-N 316.401 3.100 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2ccc3nsnc3c2)c1 15841272 TZSKPWAODQEWET-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CSc1nc2sc3c(c2c2nnc(S)n12)CC[C@@H](C)C3 17945431 PILFJRHVYPRMPZ-ZCFIWIBFSA-N 322.484 3.474 0 40 DGAB Cc1ccc2oc(-c3cc(NC(N)=S)cc(C)c3O)nc2c1 20154576 VVMRBTQCANHWEO-UHFFFAOYSA-N 313.382 3.473 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 20486057 ZLFVIPQFDBFLMD-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB CC[C@@H]1CN(c2nc(C(F)(F)F)nc3ccccc23)CCO1 23888184 QTAWHIVCRRJLGK-SNVBAGLBSA-N 311.307 3.264 0 40 DGAB O=C(/C=C/c1cccs1)NCCCN1CCc2ccccc21 29520564 PZJBKBJJXKHUHW-CMDGGOBGSA-N 312.438 3.330 0 40 DGAB Cc1ccc2c(CC(=O)NCCc3cccnc3)coc2c1C 29651833 DAHLXJQAEKRNFT-UHFFFAOYSA-N 308.381 3.346 0 40 DGAB O=C(c1cc(Br)ccc1-n1cccc1)N1CCCC1 32101972 HURQSNFLLKCTEY-UHFFFAOYSA-N 319.202 3.476 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)CCCc2cccs2)c1 32358876 QDVFCJBLEMTUOD-UHFFFAOYSA-N 316.426 3.346 0 40 DGAB Cc1ccc(CNC(=O)NCC2(N(C)C)CCCCCC2)cc1 32754912 ITAPBKSTGZTOEV-UHFFFAOYSA-N 317.477 3.449 0 40 DGAB C[C@H](CNC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 32900248 NAKNSVWHVGKWFS-MRXNPFEDSA-N 319.408 3.335 0 40 DGAB O=C(c1nnsc1Cl)N1CCC(Cc2ccccc2)CC1 33435888 HZDPEWSNUHCAQY-UHFFFAOYSA-N 321.833 3.286 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cl)o1)c1ccc2c(c1)OCCO2 39972086 NFEFTETWCXOASF-SECBINFHSA-N 307.733 3.195 0 40 DGAB CN(C(=O)CN(C)[C@H]1CCc2ccccc21)C1CCCCC1 40049995 SUBZPHHVPDHSSI-SFHVURJKSA-N 300.446 3.397 0 40 DGAB Cc1ccc(NCCCNC(=O)N[C@H](C)c2ccc(C)o2)nc1 40139474 KDPMEXRODPROCS-CQSZACIVSA-N 316.405 3.154 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1ccc(SC(F)F)cc1 42535850 KFMLUDAJHNRQTH-SNVBAGLBSA-N 311.357 3.016 0 40 DGAB C[C@H](Sc1nncs1)C(=O)Nc1cnc2ccccc2c1 42713763 WAKPCNAARWYCQY-VIFPVBQESA-N 316.411 3.206 0 40 DGAB Cc1ccccc1NC(=O)NC1CCN(Cc2ccncc2)CC1 47321617 RWJLCSGBYFTEPO-UHFFFAOYSA-N 324.428 3.176 0 40 DGAB CC[C@@H](C)C(=O)Nc1cc(Br)ccc1-n1cncn1 51987120 MFNWAHLDABHBPP-SECBINFHSA-N 323.194 3.014 0 40 DGAB CCCc1noc([C@@H](C)N2CCC(N3CCCCC3)CC2)n1 52005194 WKLYDXZGOQTVSG-CQSZACIVSA-N 306.454 3.033 0 40 DGAB Cc1ccccc1OCCNC(=O)CCc1ccccc1F 55954527 OMZOCOYVMNREDT-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@@H](O)C1 56650806 CKWDKQSJQQGNSH-SECBINFHSA-N 322.714 3.347 0 40 DGAB C[C@H]1CN(C(=O)CNc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 57525212 RFTASZSODBXHOO-UWVGGRQHSA-N 317.216 3.041 0 40 DGAB COc1ccc(C2(C(=O)Nc3ccn(C)n3)CCCCC2)cc1 58357893 MPSKLVSZLQOYQP-UHFFFAOYSA-N 313.401 3.269 0 40 DGAB Cc1cc(CNC(=O)Nc2ccc(F)c(C(F)(F)F)c2)no1 65429933 DPCFVYPSCCHMJC-UHFFFAOYSA-N 317.242 3.463 0 40 DGAB CC(C)C(=O)Nc1ccc(Sc2nncn2C)c(Cl)c1 65586346 AAQZSVQLYGLOIB-UHFFFAOYSA-N 310.810 3.214 0 40 DGAB CC(C)c1nc(CCNC(=O)NCc2ccsc2)cs1 69658365 SGKFFGLBXNXLKN-UHFFFAOYSA-N 309.460 3.370 0 40 DGAB CO[C@@H](C(=O)NCc1nc(C(C)(C)C)cs1)c1ccccc1 69659855 SGVLSANPIHSQTL-OAHLLOKOSA-N 318.442 3.445 0 40 DGAB CCOC(=O)c1c(CC)nn2c1N[C@@H](c1ccc(Cl)cc1)C2 71328538 CVXXABBBXRWDHJ-CYBMUJFWSA-N 319.792 3.442 0 40 DGAB CCc1cccc(NC(=O)CN2CCC[C@H]2c2ccccn2)c1 72311928 TYRGSBTUDZJFRB-SFHVURJKSA-N 309.413 3.420 0 40 DGAB COC(=O)N1CCC[C@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 73746448 BQFKJBTVKUGDBE-NSHDSACASA-N 317.172 3.163 0 40 DGAB Cc1noc([C@@H](C)N[C@H]2CCCc3c2cnn3C(C)(C)C)n1 76046854 YUVZUCYLKNOULG-MFKMUULPSA-N 303.410 3.058 0 40 DGAB Cc1nc(C)c(CN2CCC[C@H]2c2noc(C3CC3)n2)s1 76047715 HFUBEJYSLQDYJL-LBPRGKRZSA-N 304.419 3.357 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)[nH]1)C1(c2ccccc2)CC1 78405858 AVUDPZMYRXLHAZ-UHFFFAOYSA-N 317.392 3.425 0 40 DGAB CN(CC(=O)N[C@@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 78459619 VTLNVTXLJIHLIB-VEVIJQCQSA-N 324.465 3.184 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1C(=O)NCc1cccs1 78868962 CWHJOJLSDQLVGR-CHWSQXEVSA-N 324.446 3.058 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc3cc(F)ccc3o2)[C@H](C)C1 78897526 BMMHAQMJIKXXJH-MLGOLLRUSA-N 318.392 3.309 0 40 DGAB c1ccc(CCN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)nc1 78922739 PJHTZOXXXCIKHO-OAHLLOKOSA-N 306.413 3.380 0 40 DGAB Brc1cccnc1SCCOC[C@H]1CCCO1 78984573 KYWPPACAWJMSMH-SNVBAGLBSA-N 318.236 3.132 0 40 DGAB O=C(CCCc1ccccc1)N1CCO[C@@H](Cc2ccccc2)C1 85473051 QNPYTBRKSLMEHI-FQEVSTJZSA-N 323.436 3.479 0 40 DGAB CCc1nn(C)cc1CNC(=O)NCc1ccc2ccccc2c1 89209007 GZPRKNBEJXPFOV-UHFFFAOYSA-N 322.412 3.135 0 40 DGAB O=C(Nc1ccccn1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 89261765 QTKPUGRFXVKPJC-UKRRQHHQSA-N 317.776 3.387 0 40 DGAB C[C@@H](NC(=O)N[C@H]1C=CCCC1)c1noc(-c2ccccc2)n1 89913720 GVMQFJQCGGEELT-OCCSQVGLSA-N 312.373 3.206 0 40 DGAB Cn1cncc1COC(=O)c1nc(-c2ccccc2)oc1C1CC1 95406413 PIUHYDYTBKNJNF-UHFFFAOYSA-N 323.352 3.310 0 40 DGAB C[C@@H](NC(=O)N1CC2(CC2)c2ccccc21)C1CCOCC1 95417351 ZPHGKLRFJJERLR-CYBMUJFWSA-N 300.402 3.063 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@@H]2CC(C)(C)OC2(C)C)C1 95423641 WZICMJLRVJXJHW-BSGIZYOKSA-N 301.496 3.002 0 40 DGAB CNc1ncc(C(=O)NCCc2ccc(C(C)(C)C)cc2)s1 95448460 FOWKMTMQCVFFFW-UHFFFAOYSA-N 317.458 3.455 0 40 DGAB CC(C)n1c(C(=O)Nc2nc[nH]n2)cc2cc(Cl)ccc21 95479136 ABGWQRVQGZKFEM-UHFFFAOYSA-N 303.753 3.246 0 40 DGAB Cc1nnc([C@@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(C)s3)O2)o1 96040912 SDXCVQOZWDPFIZ-KFWWJZLASA-N 319.430 3.243 0 40 DGAB Cc1nc(NC(C)C)nc2c1CN(Cc1ccc(F)cc1)CC2 96253906 CBIVCFRHUYQNMF-UHFFFAOYSA-N 314.408 3.303 0 40 DGAB CCCOc1ccc(S(=O)(=O)Nc2cc(C)ccn2)cc1C 96305737 XRVVVMSXFFLZNC-UHFFFAOYSA-N 320.414 3.288 0 40 DGAB O=[S@@](Cc1cccc(F)c1)Cc1cc(F)cc2c1OCOC2 96404545 XPFZOVIOMGEOTD-JOCHJYFZSA-N 324.348 3.280 0 40 DGAB C[C@@H](N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C 96493201 SWFNMBMPDDAPNT-QMTHXVAHSA-N 314.351 3.223 0 40 DGAB COc1ccccc1C[C@H](C)Nc1ccc2c(c1)oc(=O)n2C 97232264 JNKQZVWXWGKLCP-LBPRGKRZSA-N 312.369 3.183 0 40 DGAB Nc1nnc(CCN2CC=C(c3ccccc3Cl)CC2)s1 97373751 HZNNRPSHFZSUIV-UHFFFAOYSA-N 320.849 3.106 0 40 DGAB CCn1[nH]cc/c1=N\C(=O)C1c2ccccc2Oc2ccccc21 105072975 ZIGWKCRFUOUJKT-HEHNFIMWSA-N 319.364 3.201 0 40 DGAB CCNC(=O)c1ccc(NC(=O)Nc2cccc(OC)c2)cc1 113545110 TYEFPJCNDSNRQI-UHFFFAOYSA-N 313.357 3.089 0 40 DGAB CC(C)Cn1ncnc1CN[C@H]1CCCC[C@@H]1C(F)(F)F 124681907 YBKBBHISSVQQFZ-RYUDHWBXSA-N 304.360 3.145 0 40 DGAB COc1ccnc(CN2C[C@H]3CCC(=O)c4cccc2c43)c1OC 191117250 KFPYBCFNELGMGY-GFCCVEGCSA-N 324.380 3.179 0 40 DGAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1c(C)cccc1Cl 192977862 QQZOKCQQGZPQEY-GHMZBOCLSA-N 312.797 3.358 0 40 DGAB COc1ccc(C)cc1N(C)S(=O)(=O)c1ccc(C)cc1 224686678 FGEFAWYIPQFXGT-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB O=C(NCC1CCN([C@H]2CCSC2)CC1)Nc1ccccc1 225576236 JJFLAGGVKOQTJZ-INIZCTEOSA-N 319.474 3.026 0 40 DGAB CC(C)(C)OC(=O)CCSCC(=O)Nc1ccccc1F 225642443 QSXMPGQSBQOLLL-UHFFFAOYSA-N 313.394 3.229 0 40 DGAB CN(C)CC[C@@H]1CN(Cc2cccc(Cl)c2)Cc2cncn21 248069367 AQUBMGKXPQOTMY-MRXNPFEDSA-N 318.852 3.045 0 40 DGAB CN(C)C[C@H]1CN(Cc2cccc3ccccc23)Cc2cncn21 248081365 CUNAQEVDGTTZJE-IBGZPJMESA-N 320.440 3.155 0 40 DGAB Cc1nn(C(C)C)cc1NCc1cnn(CC(F)(F)F)c1 256050400 DVYXWSGRMARSQG-UHFFFAOYSA-N 301.316 3.143 0 40 DGAB Cc1nc2c(Br)cnc(Br)c2nc1C 257197908 MZZWDLJNBNGDNR-UHFFFAOYSA-N 316.984 3.167 0 40 DGAB Cc1nccc([C@H]2CCCN2C(=O)C2CCC(F)(F)CC2)n1 257258527 KUJPLHWGBGGDQA-CQSZACIVSA-N 309.360 3.274 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)C2(c3ccccc3)CC2)C1 257295506 QYOYMATVLFQWJP-HNNXBMFYSA-N 309.413 3.156 0 40 DGAB CC[C@@H]1CSC2=N[C@H](c3ccccn3)[C@H](c3cccnc3)N21 260753100 BILUQVGMINZHMV-BMFZPTHFSA-N 310.426 3.456 0 40 DGAB CN(C)[C@@H](CNC(=O)/C=C/c1ccoc1)c1cc2ccccc2o1 575619333 DDZIPVOOEDZHEB-WAVCKPEOSA-N 324.380 3.458 0 40 DGAB CC(C)c1nnc(COc2ccc(-c3cnn(C)c3)nc2)s1 585124175 KULBYZAFFFRVFN-UHFFFAOYSA-N 315.402 3.036 0 40 DGAB COc1cnc(C(F)(F)c2cc(Cl)nc(Cl)c2)cn1 1857791387 QWTAQZUXPLKTIX-UHFFFAOYSA-N 306.099 3.327 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)Oc1ccc(F)cc1C2=O 1857794800 UZYGFWQOVCTGPG-UHFFFAOYSA-N 321.348 3.171 0 40 DGAB O=C(Nc1nnc(C(F)(F)F)s1)c1c(F)cccc1F 94441 XKGHTRBZHJCNNE-UHFFFAOYSA-N 309.219 3.087 0 40 DGAB COc1ccccc1CN(CCO)C(=O)Nc1ccc(C)cc1 47323874 GDHDOEMDRHCAFE-UHFFFAOYSA-N 314.385 3.030 0 40 DGAB COc1ccc(CNC(=O)c2cccc(Br)c2)cc1 861927 PRWRRAYOCDQBOQ-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc(N(C)C)cc2)c1 265859 TXYVLPAUBGCEBD-UHFFFAOYSA-N 300.358 3.022 0 40 DGAB CCCc1ccc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)cc1 1475406 WZKBTNVVFFZMCN-SOLBZPMBSA-N 305.462 3.357 0 40 DGAB OC[C@H]1[C@@H]2CC[C@H]([C@H]1CO)C2(c1ccccc1)c1ccccc1 4934308 PCXZMSHDACDQDE-JVSBHGNQSA-N 308.421 3.230 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2ccccc2)cc1 24985408 HUGAVSBQADZGEP-SFHVURJKSA-N 322.408 3.492 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)Cn2nnc3ccccc32)c1 56001107 NFFUXSIADSQXHO-QGZVFWFLSA-N 320.396 3.103 0 40 DGAB C[C@@H](NC(=O)c1cc(O)nc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1C2 107325482 IQZIOBLUWYVRBK-OSFYFWSMSA-N 310.397 3.495 0 40 DGAB Cc1ccc(OCCn2cnc3sc(C)c(C)c3c2=O)cc1 1980724 YSSYSVXTYVWUEP-UHFFFAOYSA-N 314.410 3.462 0 40 DGAB O=C(CN1CCOc2ccccc21)Nc1cccc2ncccc12 48274789 FGRMVYFCZVMRRL-UHFFFAOYSA-N 319.364 3.072 0 40 DGAB O=C(NCc1ccc(OCC2CC2)nc1)c1c(F)cccc1F 58209589 UEZWDTJYAAZYSC-UHFFFAOYSA-N 318.323 3.079 0 40 DGAB CN(CC1CCCC1)C(=O)Nc1cccc(N2CCCC2=O)c1 58418328 FYZRECQVPFYLNU-UHFFFAOYSA-N 315.417 3.467 0 40 DGAB COc1cc(C(=O)NCc2ccc(F)cc2)cc(Cl)c1OC 3334214 ASLHHYBEADCASN-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB O=C(c1cc(-c2ccco2)on1)N1CCCc2cccc(O)c21 97233733 XPXFVDNOFFQSTP-UHFFFAOYSA-N 310.309 3.233 0 40 DGAB CCn1cc(C(=O)NC[C@H](C)Cn2ccnc2C)c2ccccc21 58957196 CMJLEROLJKAIET-AWEZNQCLSA-N 324.428 3.232 0 40 DGAB CC[C@H](C)OC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 4056191 NDZZLQBHOVIQPG-NWDGAFQWSA-N 304.342 3.210 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@H]2c2noc(C3CC3)n2)on1 84622480 YYFKMAOCJADNGV-LBPRGKRZSA-N 316.361 3.036 0 40 DGAB CC1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 4354606 XPLLUAWBMFUUSN-UHFFFAOYSA-N 311.364 3.191 0 40 DGAB O=Cc1ccccc1OS(=O)(=O)c1ccc2ccccc2c1 4618064 LIVNRWSFOHARBV-UHFFFAOYSA-N 312.346 3.420 0 40 DGAB COc1cc(NS(=O)(=O)c2ccc(C)cc2C)cc(OC)c1 7056329 PHZZTXJHDXZTMY-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB C[C@@H](Sc1nnc(NC2CC2)s1)C(=O)Nc1ccccc1 7577633 VGICGAMGMRKNCN-SECBINFHSA-N 320.443 3.232 0 40 DGAB CCc1nccn1[C@H]1CCCN(C(=O)[C@@H]2CCc3ccccc32)C1 71870834 MLKCDPCOZWEVNA-FUHWJXTLSA-N 323.440 3.339 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOCc1ccccc1 177081502 JICJRSFSLBTXBL-UHFFFAOYSA-N 319.788 3.295 0 40 DGAB Cc1ccc(OC[C@@H](C)NCc2ccc([S@](C)=O)cc2)cc1 95409634 MUUWVHMSAOPYSV-IVZQSRNASA-N 317.454 3.290 0 40 DGAB O=C(CCc1nc2ccccc2o1)Nc1nc2ccccc2[nH]1 8346215 AHRRUWOQPBHMMV-UHFFFAOYSA-N 306.325 3.275 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1sc(C)nc1C 8312399 JDYAFAZKCZJFSV-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB Cc1[nH]ncc1C(=O)N[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 69485683 OBYVMKNUSVVALZ-MFKMUULPSA-N 309.291 3.023 0 40 DGAB CN(C(=O)c1ccc(Cn2ccnc2)o1)C1CCCCCC1 69847196 CGZHCBYXCMVIQO-UHFFFAOYSA-N 301.390 3.319 0 40 DGAB CC(C)(C)[C@H](Nc1nn2c(=O)ccnc2s1)c1cccs1 95409766 HCQJNZDOWCFUIJ-LLVKDONJSA-N 320.443 3.412 0 40 DGAB Cc1cccc(COc2ccc(/C=C3/NC(=O)N(C)C3=O)cc2)c1 409192050 TXGCXNCQLQQFCA-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB C[C@H](O)CN(C(=O)Nc1ccccc1N(C)C)C1CCCCC1 97112949 IRHLEZSUSVNPQT-AWEZNQCLSA-N 319.449 3.300 0 40 DGAB O=C(N[C@H](CCCO)c1ccccc1)c1ccc2[nH]ccc2c1 95976856 HRUGCTDLJNRQOQ-GOSISDBHSA-N 308.381 3.412 0 40 DGAB COc1ccc(C2CCN(Cc3ccc(C(N)=O)cc3)CC2)cc1 74992472 LLUZAQDNEDHADD-UHFFFAOYSA-N 324.424 3.174 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1cnccn1 75104300 WDVXBFQYYGHMKO-UHFFFAOYSA-N 319.792 3.191 0 40 DGAB O=C(c1cccc2[nH]ccc12)N1CCO[C@@H](c2cccc(O)c2)C1 89780614 QKMCWAHKMWTARS-GOSISDBHSA-N 322.364 3.087 0 40 DGAB C[C@H](NC(=O)[C@@H](C1CC1)N(C)C)c1ccc2c(c1)CCCC2 89905062 WSOBWNKYEJGMLB-SCLBCKFNSA-N 300.446 3.083 0 40 DGAB COc1ccc(CNC(=S)c2ccc(OC)cc2OC)cc1 408572354 GJXMQHUHVLOHHT-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB CN(C)CCNCc1cccc(OCc2ccccc2F)c1 22075566 VECNKZWAFPWBQZ-UHFFFAOYSA-N 302.393 3.056 0 40 DGAB C[C@@H](NCc1ccc(OCC(N)=O)cc1)c1ccc(Cl)cc1 28305415 OEHNGWWNNRQDCX-GFCCVEGCSA-N 318.804 3.055 0 40 DGAB CC(C)c1ccc([C@H]2CC(=O)c3cn4ncnc4nc3C2)cc1 20671688 KFLLGEHZKGWBKI-CQSZACIVSA-N 306.369 3.160 0 40 DGAB Cc1cn(-c2cncc(-c3cccc(OCCN(C)C)c3)c2)cn1 521398328 OJKOKIMLEQVSLD-UHFFFAOYSA-N 322.412 3.183 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc3n[nH]cc3c2)c1 522507590 YEQCFICVRXJIAF-LLVKDONJSA-N 322.368 3.012 0 40 DGAB COc1ccccc1-c1cc(-c2ccc3c(c2)OCO3)nc(N)n1 71978114 NHVBFOCPOMSRGK-UHFFFAOYSA-N 321.336 3.130 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C 39047979 VHCGSTKNYQISER-VXGBXAGGSA-N 314.426 3.347 0 40 DGAB CCn1nc(C)c2c(C(=O)Nc3nc(C)cs3)cc(C)nc21 32611523 JWUGCWFLWMHHMK-UHFFFAOYSA-N 315.402 3.085 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@@H]1c1ccc[nH]c1=O 72212336 SXERCMRCEJRROI-MRXNPFEDSA-N 312.369 3.239 0 40 DGAB COc1cccc(NS(=O)(=O)c2c(C)cc(OC)cc2C)c1 47454258 XLMRJPQSOYGNHU-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB CCOC(=O)c1cccc(NC(=S)NC2CCCC2)c1C 225277843 VNMOCLWLDORNBZ-UHFFFAOYSA-N 306.431 3.401 0 40 DGAB CSc1ccc(N(C)Cc2cc(=O)n3ccsc3n2)cc1 69702627 YVMRUNDVWMNHCW-UHFFFAOYSA-N 317.439 3.114 0 40 DGAB CC(C)(C)[C@H](O)CCNC(=O)c1ccc(OC(F)(F)F)cc1 75170582 RJONYKRCCHQNBA-GFCCVEGCSA-N 319.323 3.112 0 40 DGAB Cc1nc2oc(-c3ccccc3)nc2cc1NC(=O)c1ccno1 225624953 VBHYGMJZQNPRFD-UHFFFAOYSA-N 320.308 3.439 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)N[C@H](C)CC 225050645 KQYSUFAOFQBJJF-CABCVRRESA-N 304.434 3.037 0 40 DGAB Cc1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)o1 222813060 NOJMVJPXRMYDTB-LSDHHAIUSA-N 301.415 3.364 0 40 DGAB O=C1C[C@H](c2noc(-c3ccccc3F)n2)CN1c1ccccc1 49060262 SAZXDBGKQQUSJN-LBPRGKRZSA-N 323.327 3.396 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2ncccc2C)cc1 225563488 PUJNNBGTTZSLQO-UHFFFAOYSA-N 301.415 3.064 0 40 DGAB Cc1cccc(CS(=O)(=O)NCCSC2CCCC2)c1 224449486 CWBGGSXRQKSOTB-UHFFFAOYSA-N 313.488 3.090 0 40 DGAB CC[C@@](NC(=O)c1cccc2[nH]ccc12)(C(=O)O)c1ccccc1 581642704 HGFRUSTUOFQYJV-IBGZPJMESA-N 322.364 3.288 0 40 DGAB Fc1cccc(N[C@@H]2CO[C@]3(CCN(c4nccs4)C3)C2)c1 96072587 UTGYAFNQFGKOGA-GOEBONIOSA-N 319.405 3.132 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1ccncc1 96412196 HAWIHHBDVNFJOK-ABAIWWIYSA-N 304.777 3.241 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccco2)C[C@@H]1Cc1cccc(C)c1 96110202 VKSJTQZQIZABHA-DLBZAZTESA-N 313.397 3.308 0 40 DGAB O=Cc1c(-c2cccc(F)c2)nn2ccnc(N3CCCCC3)c12 96530818 FPFUSIJFHFMFIC-UHFFFAOYSA-N 324.359 3.338 0 40 DGAB Cc1cncc(C(=O)N2CC[C@H](OCCCc3ccccc3)C2)c1 96456472 LEKWOQKTFLLKFR-IBGZPJMESA-N 324.424 3.254 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2cccc(-n3cccn3)c2)cn1 96443799 OLNVFMFHIDWZMZ-CQSZACIVSA-N 306.369 3.067 0 40 DGAB COc1ccccc1N(CC(F)(F)F)C(=O)[C@@H]1CCO[C@@H]1C 97230579 BIXJRFMVJTWLAK-GHMZBOCLSA-N 317.307 3.016 0 40 DGAB Cc1nc(C2(C)CCN(c3ncccn3)CC2)c2sccn12 257206371 BDBINDAPIHLFGF-UHFFFAOYSA-N 313.430 3.052 0 40 DGAB C[C@@H](CC(=O)Nc1cnn(C)c1Cl)Cc1cccc(F)c1 585128121 SFFSZHYORCKUQB-SNVBAGLBSA-N 309.772 3.420 0 40 DGAB Cc1ncccc1CNCc1cc(Cl)c2c(c1)OCCCO2 348717832 KNIHCLRSGKALMM-UHFFFAOYSA-N 318.804 3.495 0 40 DGAB Cn1cccc1C(=O)N1CCC(C)(c2ncc(Cl)s2)CC1 257319779 VUAFVJFOWBZODQ-UHFFFAOYSA-N 323.849 3.329 0 40 DGAB O=C(c1cscn1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1 252478090 ACZAZCYPYCNAQV-JTQLQIEISA-N 304.337 3.338 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)c2cc3ccc(F)cc3[nH]2)n1 257271638 MZDPARJDVMVEKN-HNNXBMFYSA-N 312.348 3.316 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCCN1C(=O)c1cccs1 251619788 CLWNWRDFRIWILD-MGPQQGTHSA-N 320.458 3.048 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H](Cc3cccnc3)C2)s1 257334962 YIADEZLPJQBRPJ-INIZCTEOSA-N 314.454 3.475 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 260449439 VGWPKCOANXWONX-QCQGSNGOSA-N 305.443 3.481 0 40 DGAB Cc1nc(C(=O)N2CCC[C@H]2c2ccsc2)ccc1C(=O)O 263299555 CXORYTHXFHSSBI-AWEZNQCLSA-N 316.382 3.127 0 40 DGAB CCn1ccc(=O)nc1SCc1nc(-c2ccco2)oc1C 69566074 QQSADJACKMAOSU-UHFFFAOYSA-N 317.370 3.112 0 40 DGAB FC(F)(F)c1ccnc(N2CC(COc3cccnc3)C2)c1 1776001891 QGHGZYILURRTAB-UHFFFAOYSA-N 309.291 3.011 0 40 DGAB Cc1ccc(C(=O)N[C@@H](c2ccc(Cl)cc2)C2CC2)c(=O)[nH]1 75119162 QOXSVTQQJBGGPT-OAHLLOKOSA-N 316.788 3.218 0 40 DGAB Cn1ncnc1CN[C@H](c1ccc2c(c1)CCC2)c1cccs1 86190048 QTGUPJPKPGUCGV-GOSISDBHSA-N 324.453 3.245 0 40 DGAB O=C(O)Cc1csc(NC(=O)/C=C/c2ccccc2Cl)n1 13406188 ZBZFETOJESUPRZ-AATRIKPKSA-N 322.773 3.076 0 40 DGAB CCc1cc(C(=O)N2CCC[C@@H](c3cc4cccnc4[nH]3)C2)on1 19522730 BGRNXZOEHNXASI-CYBMUJFWSA-N 324.384 3.133 0 40 DGAB CCOc1ccccc1-c1nnc(NC(=O)Cc2ccccc2)o1 19927195 JNBIQVWUPGOLIE-UHFFFAOYSA-N 323.352 3.317 0 40 DGAB O=C(OCc1csc(-c2ccc(F)cc2)n1)c1cnccn1 6486490 BMXVIIABWHEHIQ-UHFFFAOYSA-N 315.329 3.096 0 40 DGAB CC(C)c1nc2ccccc2n1C1CN(C(=O)c2ccncc2)C1 1888881881 CJFQPUCDTRSZKC-UHFFFAOYSA-N 320.396 3.252 0 40 DGAB O=C(NCC[C@@H](O)c1cccs1)c1cc2ccccc2o1 77113488 ZIKCEJPPTFWFMB-GFCCVEGCSA-N 301.367 3.348 0 40 DGAB CCc1nonc1NC(=O)CCc1ccc(-c2ccccc2)o1 40114455 MELGEZKOPLTMBA-UHFFFAOYSA-N 311.341 3.463 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccccc1Cl 100659701 JJMYIEVLLAMGNF-MVGTYIKUSA-N 317.772 3.047 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1ccc(Cl)s1 50921876 ONFVHMIEBDVROP-VIFPVBQESA-N 301.795 3.261 0 40 DGAB Cc1cccc(NC(=O)N2CCN(c3nccs3)CC2)c1C 40525346 LXSNDJPWRSHJMX-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB FC(F)(F)c1ccc(NCc2nncn2-c2ccccc2)nc1 42100186 VBAVSXWGXJLDBC-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB CC(=O)O[C@]1(c2ccc3ccccc3n2)COc2ccccc21 35299 XNSOVVRCDLHSGI-LJQANCHMSA-N 305.333 3.434 0 40 DGAB CCOc1cc(NC(=O)c2cccs2)c(OCC)cc1N 419876 XQVVCLDRLMDWHQ-UHFFFAOYSA-N 306.387 3.380 0 40 DGAB C[C@@H](NC(=O)NCCc1ccccn1)c1ccc(Cl)s1 47634274 HRLWVZVCKPZHMQ-SNVBAGLBSA-N 309.822 3.399 0 40 DGAB O=C(NC[C@H](O)c1ccc(F)cc1)[C@@H]1CCCc2ccccc21 78684677 FRWMOALLEXKKJM-MSOLQXFVSA-N 313.372 3.095 0 40 DGAB CCCSc1ncnc2c1ncn2C(=O)Nc1ccccc1 1657385 LTTFLSSBLZGDJP-UHFFFAOYSA-N 313.386 3.409 0 40 DGAB Cc1ccn2c(CNc3ccn(-c4ccccc4)n3)cnc2c1 79108747 DVKJOMGJJBEGDD-UHFFFAOYSA-N 303.369 3.441 0 40 DGAB CN(C)c1cc(C(=O)N2CCc3c(Cl)cccc32)ccn1 89322980 YKZCODQIKBHMED-UHFFFAOYSA-N 301.777 3.004 0 40 DGAB CCc1nnc2c(NCCCOC(C)C)nc3ccccc3n12 7504151 PFJBKUYPFDLNON-UHFFFAOYSA-N 313.405 3.067 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1cc(F)ccc1F 7709491 OQAZHTCNRVYXJX-UHFFFAOYSA-N 320.320 3.314 0 40 DGAB Cc1ccccc1C(=O)NCc1cccc(NC(=O)C2CC2)c1 24928961 SXVCFEMLUCFMAH-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB CCCNC(=O)c1nc(-c2ccc(C)cc2)n(-c2ccccc2)n1 8476527 NZZARGUDQLBBRY-UHFFFAOYSA-N 320.396 3.383 0 40 DGAB C[C@H](C(=O)NCCc1c[nH]c2ccccc12)N1CCCCCC1 25408000 CLFSAWKKFFBMKJ-OAHLLOKOSA-N 313.445 3.091 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)c2csnn2)cc1 56271197 QRHWZCVUEMOGCR-OAHLLOKOSA-N 317.414 3.304 0 40 DGAB CCCCNC(=O)CCc1c(C)nc2c3ccccc3nn2c1C 10042959 YSFJFCSWNIQMAG-UHFFFAOYSA-N 324.428 3.348 0 40 DGAB Cc1noc([C@H](C)Sc2nnc(-c3ccccc3)n2C)n1 58146330 NICVITUXCZWSQZ-VIFPVBQESA-N 301.375 3.027 0 40 DGAB CCOCCO[C@@H](C)C(=O)Nc1ccc(N2CCCCC2)cc1 44979686 HWDREZUDXICIER-HNNXBMFYSA-N 320.433 3.057 0 40 DGAB Cc1oc2c(c(C)cc3oc(=O)c(CC(=O)O)c(C)c32)c1C 2119858 WXSGUOVEIIVWMK-UHFFFAOYSA-N 300.310 3.400 0 40 DGAB biogenic O=C(CN1CCC[C@@H]1Cc1ccccc1)N1CCc2ccccc21 12819857 CWMIPOGRXBTDLB-LJQANCHMSA-N 320.436 3.283 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCC[C@@H]1c1nnc2ccccn12 12896640 UDRUPTUIGOHDGY-LPQFERQCSA-N 318.380 3.106 0 40 DGAB Cc1cc(Cn2cnc3cc(-c4ccccc4)sc3c2=O)on1 12803727 UAVJVWBBLANRCM-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB COc1cccc(NC(=O)c2csc(-c3cccnc3)n2)c1 29047588 WHXGZWUWYDLWMN-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 3489860 YCPURWMIEIYJJX-UHFFFAOYSA-N 319.307 3.323 0 40 DGAB Cc1cc(C)n(CCCNCc2c[nH]nc2-c2cccs2)n1 29654967 VIZWACLWVINQGB-UHFFFAOYSA-N 315.446 3.131 0 40 DGAB CSc1ccccc1C(=O)NCc1ccc2c(c1)OCCO2 9156005 RMPNSXTYVXKTKU-UHFFFAOYSA-N 315.394 3.110 0 40 DGAB O=c1cc(O)c2sc(Nc3ccc(Cl)c(F)c3)nc2[nH]1 13865128 HPWJLFZZVAHRFO-UHFFFAOYSA-N 311.725 3.226 0 40 DGAB COc1cc(S(=O)(=O)NC(C)(C)CC(C)(C)C)ccc1F 5235127 SQKWARJKCPPROG-UHFFFAOYSA-N 317.426 3.327 0 40 DGAB Cc1cccc(OCCn2cnc3sc(C)c(C)c3c2=O)c1 5319448 KZSDZJSOFHFTAY-UHFFFAOYSA-N 314.410 3.462 0 40 DGAB CCOc1cccc(C(=O)Nc2cc(C(=O)O)ccc2OC)c1 20141422 JHMULLIULODRFR-UHFFFAOYSA-N 315.325 3.044 0 40 DGAB CCN(CC)C(=O)c1ccc(NC(=O)Cc2ccccc2)cc1 5512644 QOKQGYJVNUAMAZ-UHFFFAOYSA-N 310.397 3.350 0 40 DGAB Cc1cc(C)c(OC(=O)c2ccc(S(C)(=O)=O)cc2)c(C)c1 14627311 MJCWEECDEFQKTK-UHFFFAOYSA-N 318.394 3.235 0 40 DGAB O=C(NC1(c2nccs2)CCCC1)c1noc2c1CCCC2 96407314 OCPTXSRKVXFQFK-UHFFFAOYSA-N 317.414 3.209 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](C2CC2)C1)c1ccccc1Cn1cncn1 80489786 ZIPRIHINPRXDNW-NVXWUHKLSA-N 324.428 3.025 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2cc3ccccc3o2)c1 7717642 NMWPLCKZMZNPTN-UHFFFAOYSA-N 308.337 3.435 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)N1CCC[C@H]1c1ccsc1 71820934 HCMHAPKBDQKKOR-AWEZNQCLSA-N 315.394 3.383 0 40 DGAB CCC[C@H](NC(=O)Cc1ccccc1C)c1nnc2ccccn12 69348965 IPDICZZRKVNKPE-INIZCTEOSA-N 322.412 3.238 0 40 DGAB COc1cccc(CN[C@H](C)[C@H](C)n2cccn2)c1OC(C)C 69368905 RCSSSUHYGBSBJY-CABCVRRESA-N 317.433 3.418 0 40 DGAB C[C@@H](Sc1nc(Nc2ccccc2)c2ccccc2n1)C(N)=O 8328823 ZEAPXWPXZGFANL-LLVKDONJSA-N 324.409 3.339 0 40 DGAB CN(C(=O)CSc1ncccn1)[C@H]1CCCc2ccccc21 8499912 DCNOHQCJRKHHOH-HNNXBMFYSA-N 313.426 3.105 0 40 DGAB CCc1ccsc1C(=O)Nc1ccc2c(c1)oc(=O)n2C 69532879 UYIIJOPNJKTZBI-UHFFFAOYSA-N 302.355 3.008 0 40 DGAB CCCCC1=NN(C(=O)OC(C)(C)C)[C@](O)(C(F)(F)F)C1 9660062 XHVSSBRSGMGNPB-GFCCVEGCSA-N 310.316 3.424 0 40 DGAB CN(C(=O)c1cccc(C(F)(F)F)c1F)C1CCC(N)CC1 97013508 LKQCOUOPZJVPRK-UHFFFAOYSA-N 318.314 3.186 0 40 DGAB CN(Cc1ccc(Br)c2cccnc12)[C@H]1CCOC1 97048648 NUFZQPPXZGRJCS-LBPRGKRZSA-N 321.218 3.218 0 40 DGAB COCCC1(CNC(=O)N[C@@H](C)c2nccs2)CCCC1 97015246 VBBUOMRCJVTPHF-LBPRGKRZSA-N 311.451 3.100 0 40 DGAB CC(C)n1cnnc1SCC(=O)N1[C@H]2CCCC[C@@H]2C[C@H]1C 72288450 YKSMUQPLUPKXJO-MCIONIFRSA-N 322.478 3.131 0 40 DGAB Cc1cccc(O)c1NC(=O)c1ccncc1Br 97233702 LMTRHUBQNPIQRH-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB CC(C)CC(C)(C)CNC(=O)N1CCC(O)(C(F)(F)F)CC1 95985267 ZSBJAUIYFFRNRX-UHFFFAOYSA-N 324.387 3.158 0 40 DGAB CC(=O)c1c(F)cccc1N1CC[C@H](C(=O)OC(C)(C)C)C1 176952864 LRJDLXMSPCJJOG-LBPRGKRZSA-N 307.365 3.196 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N[C@H](C)c1ccc(-n2cccc2)cc1 28236979 CLBCQXRQJNGALG-CYBMUJFWSA-N 322.412 3.319 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(O)c1 20141203 BUJNQSYUIXTANK-UHFFFAOYSA-N 321.716 3.005 0 40 DGAB Cc1ccc(-c2cnc3n2C[C@@H]2CN(CC4CC4)C[C@@H]2C3)cc1 306140227 UNIZCVOBSDJNGN-ROUUACIJSA-N 307.441 3.373 0 40 DGAB COc1ccccc1-c1cnc2n1C[C@@]1(CCN(C3CCC3)C1)C2 306125150 CIBVZMRVZZADBF-FQEVSTJZSA-N 323.440 3.359 0 40 DGAB Cc1ccc(-c2noc(-c3ccc(OCC(=O)O)cc3)n2)cc1 32578991 SFFPNLCWFCVSGZ-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB Cc1cc(C[C@@H]2CCC[C@H]2NCc2nc3ccccc3[nH]2)on1 72395107 DYXCTXYZARFANU-DZGCQCFKSA-N 310.401 3.360 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1ccc(C)s1)OCO2 32994757 IGHFNSBICZYRNN-UHFFFAOYSA-N 303.339 3.240 0 40 DGAB CC[C@]1(C)CN(C(=O)NC[C@@H](c2cccnc2)C(C)C)CCO1 188171541 OVNPOZOLIHVTLU-SJLPKXTDSA-N 319.449 3.032 0 40 DGAB Cc1ccccc1N[C@H]1CC(=O)N(c2ccccc2Cl)C1=O 36635765 OYTJMOFRVVARDG-AWEZNQCLSA-N 314.772 3.392 0 40 DGAB CC(C)(C)N[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 36664752 YWOUDHZNBHBXJT-KRWDZBQOSA-N 310.397 3.014 0 40 DGAB Cc1ccccc1CN1CCN(C(=O)c2sccc2C)CC1 32611089 IZDFIHGEBJXSOX-UHFFFAOYSA-N 314.454 3.323 0 40 DGAB COc1ccccc1NS(=O)(=O)c1ccc(OC)c(C)c1C 74935887 VIUCXEYNMBTYLR-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Nc1nc2ccccc2c(Br)c1Br 71256343 YTJQPGCOXZDRRC-UHFFFAOYSA-N 301.969 3.342 0 40 DGAB CC(C)(CCN1CCCCCC1)NC(=O)c1ccc(O)cc1F 185752783 CDQGPJCYNMCALP-UHFFFAOYSA-N 322.424 3.306 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc[nH]1 222905408 FMZRDOUGLOAODY-HUUCEWRRSA-N 300.431 3.038 0 40 DGAB Cn1cc(-c2cccc(C(=O)Nc3cccc(C(=O)O)c3)c2)cn1 570620570 OQOBURZSKTWYRC-UHFFFAOYSA-N 321.336 3.038 0 40 DGAB COc1ccc(COc2ccc(C(C)=O)cc2C(=O)O)cc1 85397471 ZZGOYIUPPDMBCF-UHFFFAOYSA-N 300.310 3.175 0 40 DGAB O=C(O)Cc1cc(NCc2ccccc2)nc(-c2ccccc2)n1 225010841 YMZJAKCVTQNFAN-UHFFFAOYSA-N 319.364 3.383 0 40 DGAB S=C1N[C@@H](c2ccccn2)[C@@H](c2ccc[nH]2)N1Cc1ccco1 223331854 UKAZIRUWYZHBRJ-JKSUJKDBSA-N 324.409 3.175 0 40 DGAB C[C@@H](O)CCN(C)C(=O)NC1CCC(c2ccccc2)CC1 96481453 YWGFYDYRBQBYOY-ODIFPOPNSA-N 304.434 3.125 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC(=O)C[C@@H]3C3CC3)cc2c1C 585126182 RBQSTSADTUUNKH-GOSISDBHSA-N 310.397 3.368 0 40 DGAB COc1ncccc1N(C)C(=O)c1ccc(F)c(SC)c1 95452121 HVHWBMYLQSWZQD-UHFFFAOYSA-N 306.362 3.228 0 40 DGAB CSc1nnc(NC(=O)c2ccc(Cl)cc2F)s1 96125638 MSKIWCBOSDBSHL-UHFFFAOYSA-N 303.771 3.305 0 40 DGAB C[C@@H](CCOc1ccccc1)C(=O)N[C@@H](C)c1nccs1 96443679 MRLGWKPLVMMDCL-STQMWFEESA-N 304.415 3.426 0 40 DGAB C[S@](=O)c1ccc(CNCCSc2ccccc2F)cc1 96461184 XQTCUGXSPSOGCZ-OAQYLSRUSA-N 323.458 3.445 0 40 DGAB c1ccc([C@H]2Cn3nc(-c4nc(C5CC5)no4)cc3CO2)cc1 97943824 QPFNUQQFIBVFOR-OAHLLOKOSA-N 308.341 3.082 0 40 DGAB CCc1nc([C@@H](C)NC(=O)Nc2ccc(OC)nc2C)cs1 96471138 PYIGXWWDSJJHNL-SNVBAGLBSA-N 320.418 3.300 0 40 DGAB Cc1nc(CNS(=O)(=O)c2ccccc2C(C)(C)C)oc1C 96427777 VJDWMNDLNNXGRJ-UHFFFAOYSA-N 322.430 3.067 0 40 DGAB Cc1ncsc1-c1ncccc1C(=O)NCCc1ccccc1 257231379 GGLMUSDHSJEUTQ-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2cccc(F)c2F)O[C@@H]2CCCC[C@@H]12 257334669 YGXLHOYSWLIHKW-AEAUEXCSSA-N 309.356 3.490 0 40 DGAB CO[C@@H](CNC(=O)CCc1ccccc1F)c1cccc(F)c1 96388341 WYVGKBCKFFQPCM-KRWDZBQOSA-N 319.351 3.401 0 40 DGAB C=CC(=O)N1CCC[C@@H]1c1csc(Nc2ccccn2)n1 585292151 XDUYTKOBIRKKOP-GFCCVEGCSA-N 300.387 3.131 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)C[C@@H]1CCCc2ccccc21 71888258 BPXWRIUVPZPBOU-WBVHZDCISA-N 301.430 3.382 0 40 DGAB Ic1cn2ccnc2c(-c2ccccc2)n1 1083805690 OHYIYYSBSHTMBH-UHFFFAOYSA-N 321.121 3.001 0 40 DGAB Cc1ncsc1CN1CC[C@H](Cc2ccc(F)cc2)[C@@H](O)C1 1615086845 ODBGJXQKDSIEQT-ZBFHGGJFSA-N 320.433 3.016 0 40 DGAB CC(C)Oc1ccc([C@H](CC(=O)NCCN(C)C)C(C)C)cc1 5271254 GMIKXXRLSLLYKQ-GOSISDBHSA-N 320.477 3.281 0 40 DGAB CCn1c([C@H](C)NC(=O)c2ccccc2Cl)n[nH]c1=S 5445083 RDHWWDGJSJCJQF-QMMMGPOBSA-N 310.810 3.105 0 40 DGAB O=c1cc(COc2ccc(F)c(Cl)c2)nc2sccn12 5616657 YWBVWUWDSNPZIQ-UHFFFAOYSA-N 310.737 3.128 0 40 DGAB Oc1cc(-c2ccncc2)nc2cc(-c3cccc(F)c3)nn12 19294341 WHWRVHSRCZLPBP-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB C[C@@H]1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)C[C@@H](C)O1 19497543 OGNCMPWFHKCOSE-CHWSQXEVSA-N 311.385 3.432 0 40 DGAB CO[C@H](CNC(=O)CCc1cccc(Cl)c1)c1ccco1 206862543 SHRXKEZBGZNFQA-OAHLLOKOSA-N 307.777 3.370 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2)cc1C 158780732 BQNZMBCSRCWKHF-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028165 COVCNGRWIKQEQM-SOLBZPMBSA-N 317.429 3.262 0 40 DGAB biogenic COc1ccc(NC(C)=O)cc1Nc1ncnc(C2CC2)c1F 1888864083 IQRFQCHRXZFPQQ-UHFFFAOYSA-N 316.336 3.204 0 40 DGAB c1ccc(N2C[C@@H]3CCN(c4nc5ccccc5s4)[C@H]3C2)nc1 1889191970 FVVJBGZQRFIBOE-ZFWWWQNUSA-N 322.437 3.406 0 40 DGAB CSc1ncccc1C(=O)Nc1cccc(-c2ccn[nH]2)c1 24887717 QFDBQGHPWLYMQM-UHFFFAOYSA-N 310.382 3.446 0 40 DGAB O=C(Cc1cc(-c2cccs2)on1)NCCc1ccccc1 12422237 OVDXOPHXSAQRAW-UHFFFAOYSA-N 312.394 3.305 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1ccc2c(c1)CC(=O)N2 16955174 GUSLVFMUFVFOIN-UHFFFAOYSA-N 316.744 3.096 0 40 DGAB O=C(NCc1ccc(-c2ccco2)o1)c1ccc2c(c1)OCO2 575609217 SFOZBBPDPXGIGV-UHFFFAOYSA-N 311.293 3.198 0 40 DGAB CCCc1nc(CN2CCN(Cc3ccccc3)CC2)cs1 40050128 ZRSIDDZBBBITFZ-UHFFFAOYSA-N 315.486 3.413 0 40 DGAB CCOCCCC(=O)Nc1ccccc1C(=O)NC1CCCC1 40544221 HVJZJROTFGXFRO-UHFFFAOYSA-N 318.417 3.114 0 40 DGAB COc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1 299653 QEDQVQJRCCQPGV-UHFFFAOYSA-N 318.461 3.070 0 40 DGAB CCCc1noc([C@@H](C)N2CCO[C@@H](c3ccc(F)cc3)C2)n1 32770100 FWJQPKPJVFOWAS-IUODEOHRSA-N 319.380 3.296 0 40 DGAB CC(=O)NCc1ccc(C(=O)OC/C=C/c2ccccc2)cc1 32736665 KYSYHYMIIJJHOR-VMPITWQZSA-N 309.365 3.193 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)N(C)CCOc1cccc(Cl)c1 32805943 MVKKCFFTRGFRQP-ZDUSSCGKSA-N 324.852 3.098 0 40 DGAB COC(=O)c1ccc(CN[C@H](C)c2ccc(OC)c(F)c2)cc1 32806018 LPIUXADZGWPPLD-GFCCVEGCSA-N 317.360 3.472 0 40 DGAB CC(=O)c1ccc(OCCC(=O)N2CCc3ccccc32)cc1 32870986 ADGLFAVYQFSIFD-UHFFFAOYSA-N 309.365 3.247 0 40 DGAB Cc1cccc(C(=O)NCc2ccco2)c1NC(=O)c1ccco1 32906287 OAHRBRMSSCJAFI-UHFFFAOYSA-N 324.336 3.363 0 40 DGAB C[C@]1(c2ccccc2)NC(=O)N(c2ccccc2Cl)C1=O 52879557 OBCRBDNDCWBSLH-MRXNPFEDSA-N 300.745 3.312 0 40 DGAB c1ccc(-n2nnnc2C2(N3CCCCC3)CCCCC2)cc1 22436279 VZPWHANGCXROPG-UHFFFAOYSA-N 311.433 3.308 0 40 DGAB Cc1c(C)c2ccc(OCc3ccc(C(=O)O)o3)cc2oc1=O 200930 FREFMQGLULKGGU-UHFFFAOYSA-N 314.293 3.280 0 40 DGAB biogenic O=C(Cn1c(=O)oc2cc(Cl)ccc21)Nc1ccc(F)cc1 223969 MNJAOGXBZWSXDZ-UHFFFAOYSA-N 320.707 3.026 0 40 DGAB COc1ccc(OC)c(NC(=O)CSc2nc(C)cs2)c1 3413827 GHNYLYWMWAYKON-UHFFFAOYSA-N 324.427 3.200 0 40 DGAB C[C@H](Sc1nncn1-c1ccccc1)C(=O)Nc1ccccc1 3452792 MHOHOKIETOSOLE-ZDUSSCGKSA-N 324.409 3.387 0 40 DGAB CC(C)OC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 3515477 WTCLGBWLHSYDMH-UHFFFAOYSA-N 313.353 3.269 0 40 DGAB Cc1cccc(C(=O)N(C)Cc2cc3ccc(C)cc3[nH]c2=O)c1 5053910 BLQADIGXGCEJQY-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB COc1ccccc1N1CCN(C(=O)c2ccc(C)s2)CC1 5392362 GMRGTKUFONAYJP-UHFFFAOYSA-N 316.426 3.028 0 40 DGAB C[C@@H]1CCC[C@@H](NS(=O)(=O)c2ccc(F)c(F)c2)[C@@H]1C 5699844 BSSXULKIYZEHRU-GPCCPHFNSA-N 303.374 3.068 0 40 DGAB CCO[C@@H](COC(=O)c1ccccc1C(=O)O)c1ccccc1 5839461 QYUNKEYRMRRTCC-INIZCTEOSA-N 314.337 3.319 0 40 DGAB Cc1ccc2c(COC(=O)Cc3cccs3)cc(=O)oc2c1 6121413 LDRSGWMRUBUDOE-UHFFFAOYSA-N 314.362 3.449 0 40 DGAB COc1ccc(CNC(=O)CCc2ccc(F)cc2)cc1OC 7136793 JPALCJFKZBOCJO-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccc(Cl)cc1 7552541 IDXDXCKNAQLTNE-CQSZACIVSA-N 320.776 3.016 0 40 DGAB CCCc1nnc(SCc2cccc(C(=O)O)c2)n1CC 7605215 KVKCYNAGKOLRTQ-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB Cc1cc(C(=O)COc2c(F)c(F)cc(F)c2F)c(C)n1C 7982070 XLLWOSMUVIMONZ-UHFFFAOYSA-N 315.266 3.460 0 40 DGAB CN(C)c1ccc(NC(=O)CCC(=O)c2cccs2)cc1 8780459 XYVCUBGQSJVEOF-UHFFFAOYSA-N 302.399 3.416 0 40 DGAB NC(=O)c1c(NC(=O)Nc2ccc(F)cc2)sc2c1CCC2 9154339 FIJSXGPYRGOLKE-UHFFFAOYSA-N 319.361 3.119 0 40 DGAB Cc1ccn2cc(C(=O)Nc3nc4c(s3)CCCC4)nc2c1 10192387 KCXMXAZXPFYZTC-UHFFFAOYSA-N 312.398 3.230 0 40 DGAB Cc1ccc(CN[C@@H](C(=O)NC2CC2)c2ccccc2)cc1F 12873445 KMOFZRHMDRBRKO-GOSISDBHSA-N 312.388 3.244 0 40 DGAB O=C(O)CCCNC(=O)c1ccc(-c2ccc(F)cc2)s1 12937285 DBLNNYJMIWSTDR-UHFFFAOYSA-N 307.346 3.149 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Sc2ccccc2N)cc1 13578920 TWUYAPKWCKTXLI-LLVKDONJSA-N 302.399 3.397 0 40 DGAB Cc1ccc2c(CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)coc2c1 15575068 DBHKYTOFLOBBLC-UHFFFAOYSA-N 321.336 3.092 0 40 DGAB CCCCn1nc(C)c2c(C(=O)N[C@H](C)CC)cc(C)nc21 17030854 IYJIMJMBQMYEKU-LLVKDONJSA-N 302.422 3.377 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)c1ccc2ccccc2n1 24014204 JDOQOVSIYQCWCM-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB CCOC(=O)c1cc2cc(C(=O)Nc3cccc(C)n3)ccc2[nH]1 24567851 QQWZBPUKMXNJGK-UHFFFAOYSA-N 323.352 3.300 0 40 DGAB Cc1noc(C)c1COc1ccccc1C(=O)NCC1CCC1 26144998 ZSAVRYHDXPLWHC-UHFFFAOYSA-N 314.385 3.400 0 40 DGAB NC(=O)[C@H](Nc1ccc(OC(F)(F)F)cc1)c1ccccc1 26226350 KAGCYSMSWIFKGP-CYBMUJFWSA-N 310.275 3.224 0 40 DGAB Cc1cc(NC(=O)CCc2cnn(C)c2C)c2ccccc2n1 28577044 BMZCWEDEZIXYCT-UHFFFAOYSA-N 308.385 3.156 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)CC(C)(C)C)c1ccccc1F 29086355 BQMWDTWVLNLWIR-HNNXBMFYSA-N 303.381 3.201 0 40 DGAB Cc1ccc(C)n1N(CC(=O)O)C(=O)c1cccc2ccccc12 34776645 UIAUXBIJRPUUCA-UHFFFAOYSA-N 322.364 3.121 0 40 DGAB Cc1ccc(Cn2nc(C)c3cnn(C(C)(C)C)c3c2=O)cc1 36665663 UIYXUWSVRDIASV-UHFFFAOYSA-N 310.401 3.013 0 40 DGAB Cc1cc(C(=O)N[C@@H](CC(=O)O)c2ccccc2)c(C)s1 37420637 PYOFIPZIFZYYKI-AWEZNQCLSA-N 303.383 3.311 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCOc3ccccc32)[nH]c2c1C(=O)CCC2 40462367 PRCHDOMIHNYWTA-CYBMUJFWSA-N 324.380 3.096 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccccn1 43231358 NKPHZMLGRNOKQE-ZDUSSCGKSA-N 316.430 3.102 0 40 DGAB COCCCCNC(=O)c1sc(-c2ccc(C)o2)nc1C 44943775 GZWUALRTHQLHNG-UHFFFAOYSA-N 308.403 3.176 0 40 DGAB CC(C)c1cc(C(=O)Nc2ncccc2O)nn1C(C)(C)C 44948954 FWVOKSVRZBCJSA-UHFFFAOYSA-N 302.378 3.114 0 40 DGAB Cc1csc(CNC(=O)N(Cc2ccc(C)o2)C2CC2)n1 44967448 AECQKWBLDPCWRE-UHFFFAOYSA-N 305.403 3.227 0 40 DGAB COc1ccccc1C(=O)NCCCCN1C[C@@H](C)C[C@H](C)C1 47038412 WFWDFUMSNUIHJS-HOTGVXAUSA-N 318.461 3.183 0 40 DGAB CC(C)c1ccc(-c2nc(/C(O)=N/S(C)(=O)=O)cs2)cc1 48480771 AAYDLZLZYUPIPF-UHFFFAOYSA-N 324.427 3.198 0 40 DGAB Fc1ccccc1CN1CC[C@H](c2nnc(-c3ccncc3)o2)C1 49169571 NUFJNNQZORUFQC-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB biogenic,in-vitro O=C(OCc1nccs1)C1=Cc2cc(Cl)ccc2OC1 56241117 OWZGQZNGIVZPJP-UHFFFAOYSA-N 307.758 3.316 0 40 DGAB COc1ccc(C)cc1-c1csc(CCN2CCOC2=O)n1 58244625 XQLRRVCEVSXTCD-UHFFFAOYSA-N 318.398 3.122 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@@H](C)c1cc(C)sc1C)CN2 58294444 WKLBANUMSNLCHV-JSGCOSHPSA-N 304.463 3.262 0 40 DGAB CC(C)CN(CC(C)C)C[C@H](O)COCc1ccccc1F 60477979 HLKQDUOFXZHTMX-KRWDZBQOSA-N 311.441 3.317 0 40 DGAB O=C(Nc1nc[nH]n1)c1ccc(-c2ccc(F)cc2)cc1F 69742907 AEGRYODJIIELSA-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB Cc1cc(C)c2c(c1)cc(C)c1nn(Cc3cccnc3)c(=O)n12 72347048 MOMZQCVJYAGUPF-UHFFFAOYSA-N 318.380 3.018 0 40 DGAB Cc1ccccc1-c1noc([C@H]2CCN(Cc3cccnc3)C2)n1 72369938 AHSSVUYRGYPCND-INIZCTEOSA-N 320.396 3.430 0 40 DGAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 72384879 QYKMEBPCSWRUHY-CYBMUJFWSA-N 303.793 3.391 0 40 DGAB CC(=O)c1ccccc1C(=O)N1CCC(Nc2cccnc2)CC1 73292011 NZMMYKWIVVGZPP-UHFFFAOYSA-N 323.396 3.001 0 40 DGAB CCCN(C(=O)c1ccc(C)[nH]c1=O)[C@@H]1CCc2ccccc2C1 75122836 WXLRJMQKOWJVGE-QGZVFWFLSA-N 324.424 3.093 0 40 DGAB O=C1CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc2N1 75146394 HJGQSKNSUCFCMO-UHFFFAOYSA-N 302.280 3.102 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)Cc1ccccc1Cl 75155226 OOCSIAZFIXSHQJ-CYBMUJFWSA-N 309.818 3.102 0 40 DGAB Cc1csc(NC(=O)N[C@@H](CCCO)c2ccccc2)n1 77516821 FWTNPBVOYNXHIZ-ZDUSSCGKSA-N 305.403 3.087 0 40 DGAB Cc1noc(-c2cccnc2NC[C@@H]2CCO[C@H]2C(C)(C)C)n1 78266562 QTFWODSTEFCYPV-GXTWGEPZSA-N 316.405 3.303 0 40 DGAB CCS[C@H]1CCCC[C@H]1NC(=O)CSc1ccncc1 79022567 GLGIASQXPGLGPJ-KGLIPLIRSA-N 310.488 3.354 0 40 DGAB O=C(Nc1cccnc1)N(CCN1CCCC1)Cc1ccccc1 79107189 ALEQBHLGNJZMQE-UHFFFAOYSA-N 324.428 3.212 0 40 DGAB Cc1nnc(CN(Cc2cc(F)ccc2F)C2CCCC2)n1C 83446574 BJKANJOUGYNLLJ-UHFFFAOYSA-N 320.387 3.347 0 40 DGAB Cc1cc(CN(C)C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2)no1 89601048 GEDJCFAHRJIEHH-CABCVRRESA-N 304.777 3.399 0 40 DGAB COc1ccc(N(Cc2ccccc2)C(=O)c2ccnnc2)cc1 90590622 XPOQZHKBZMQZFM-UHFFFAOYSA-N 319.364 3.332 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1ccccc1O 95406891 BYMOPQFCRHXUAR-INIZCTEOSA-N 317.360 3.048 0 40 DGAB Cc1ccoc1C(=O)N[C@H](c1ccc(Cl)cc1)c1ncon1 95445544 XUHFDZICDXBDKT-GFCCVEGCSA-N 317.732 3.144 0 40 DGAB Cc1cccc2nc(CN[C@@H](C)c3nc4c(s3)CCC4)cn12 95451002 QHAJESJOEGRDOO-LBPRGKRZSA-N 312.442 3.439 0 40 DGAB CC(C)[C@H](NC(=O)Nc1nccc(N(C)C)n1)c1ccccc1 95466944 PKFCCVVNHMKEPX-HNNXBMFYSA-N 313.405 3.061 0 40 DGAB O=C(c1ccc(NCc2ccc(F)cc2)cn1)N1CCCCC1 95940021 VOXQMNMQICEAAH-UHFFFAOYSA-N 313.376 3.459 0 40 DGAB C[C@H](NC[C@@H]1COC(C)(C)O1)c1cc(Cl)c(N)c(Cl)c1 95943530 CQDGOPJCQIYBHB-WCBMZHEXSA-N 319.232 3.378 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)/C=C/c2cccs2)C1 95954633 BPJRSIRSQXWTMM-MYSGNRETSA-N 306.475 3.388 0 40 DGAB C[C@H](NC(=O)Nc1nccs1)c1ccc(-n2cccn2)cc1 96433659 OPDDSSVKIYBFLG-NSHDSACASA-N 313.386 3.212 0 40 DGAB C[C@@H](CCO)CNC(=O)Nc1ccccc1N1CCCCCC1 96433928 IJRQPNVBHRDWIF-HNNXBMFYSA-N 319.449 3.207 0 40 DGAB CSc1c(F)cc(NC(=O)N(C)C[C@H]2CCCO2)cc1F 97107737 BCRVFRCNWUVYPB-SNVBAGLBSA-N 316.373 3.329 0 40 DGAB Cc1ccc(NS(=O)(=O)C[C@@]23CC[C@H](CC2=O)C3(C)C)cc1 100305760 MMFXFLKTJGHJGF-DYVFJYSZSA-N 321.442 3.132 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 101275126 HXQKKENWKFMHQY-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1 102363391 RNCRZPMBDPMOMH-GDZNZVCISA-N 303.402 3.209 0 40 DGAB CCOC(=O)[C@@H]1CC[C@H](NCc2ccccc2COC)[C@@H](C)C1 108148990 HLQQCQCOKOEGJJ-DAYGRLMNSA-N 319.445 3.291 0 40 DGAB O=C(O)CN(CCc1ccccc1)C(=O)c1cccc(Cl)c1 178938132 HTEMDDHBXAPUJF-UHFFFAOYSA-N 317.772 3.110 0 40 DGAB O=C1CCC[C@@H]2[C@H](N1)[C@@H](c1ccccc1)CN2Cc1ccccc1 212420065 MHLMBYWVPBTMRI-SFHLNBCPSA-N 320.436 3.323 0 40 DGAB COc1ccc(Cl)cc1C[C@H](Oc1ccccc1)C(=O)O 225119643 VJKYYHVAISYCBX-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COc1ccc([C@]2(C)NC(=S)N(c3ccc(C)cc3)N2)cc1 225346542 VOBUUSMMYZLSCE-QGZVFWFLSA-N 313.426 3.076 0 40 DGAB COc1ccc(C(=O)N[C@H](C)COc2ccc(C)cc2)cc1F 225393462 YBLWYJLBGFKZMY-CYBMUJFWSA-N 317.360 3.340 0 40 DGAB CCOc1ccc(NC(=O)COc2ccc(C)cc2C)c(N)c1 226358908 ZTBGANZCXBRFQC-UHFFFAOYSA-N 314.385 3.302 0 40 DGAB CC1(C)[C@H]2CC[C@@H](C2)[C@]1(C)NC(=O)CNCc1cccs1 245227384 LDSTYEMLHGTVDP-DCGLDWPTSA-N 306.475 3.169 0 40 DGAB CC(C)C[C@H](NC(=O)[C@@H]1C[C@H]1c1cnn(C)c1)c1cccs1 252503251 UZZZWTKCVHBEOP-ZNMIVQPWSA-N 317.458 3.489 0 40 DGAB Cc1cc(CC[C@H]2CCCN2C(=O)c2c(C)noc2C)ccn1 257295970 RAQJKPPVYCCSSJ-MRXNPFEDSA-N 313.401 3.232 0 40 DGAB C[C@@H]1[C@@H](O)C[C@@H]2C[C@H]1[C@H](c1ccccc1C(=O)O)OC2(C)C 257333557 YCBCMNPLNGSQMS-XCVBADHISA-N 304.386 3.258 0 40 DGAB CN(C(=O)[C@@H]1C[C@]12CCNC2)c1ccc(-c2ccccc2)cc1 578360463 KXXKKPXBLBOJPK-ICSRJNTNSA-N 306.409 3.316 0 40 DGAB CCOc1cccc(CNC(=O)[C@H](CC(C)C)n2ccnc2)c1 585120962 AJMQIPLKKPOSDQ-KRWDZBQOSA-N 315.417 3.185 0 40 DGAB Cc1nc(NCCCO[C@H]2CCOC2)c2c(C)c(C)sc2n1 674934124 SSXIXZHKPWZCFQ-ZDUSSCGKSA-N 321.446 3.224 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)c3ccsc3)s2)cn1 1889176661 TXRXHHDJWKICKV-UHFFFAOYSA-N 317.439 3.183 0 40 DGAB c1coc(-c2noc(CNc3ccccc3-n3cccn3)n2)c1 47272851 JDNAKOZVCOBGSM-UHFFFAOYSA-N 307.313 3.127 0 40 DGAB O=C(NC(=S)N1CCCc2ccccc21)c1ccc(F)cc1 403691 VTYVKHXEVMKJSZ-UHFFFAOYSA-N 314.385 3.293 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)N[C@H](C)C(C)C 47686007 YYWGBMGUOOLKHZ-OAHLLOKOSA-N 305.466 3.372 0 40 DGAB O=C(NCC1CCN(Cc2cccs2)CC1)c1cccs1 23016912 VLYWSRGBWAGWOP-UHFFFAOYSA-N 320.483 3.452 0 40 DGAB C[C@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@@H]1N(C)C 78896669 DROJLFJQKLIIQH-DJJJIMSYSA-N 323.440 3.134 0 40 DGAB Cc1ccc(OCCCC(=O)Nc2ccc(C(=O)O)cc2)cc1 1773339 MLVKIYYDLNYFBP-UHFFFAOYSA-N 313.353 3.491 0 40 DGAB O=C(NC1CCCC1)c1cc2nccc(-c3ccc(F)cc3)n2n1 2791852 XXUPAZNIBLRIDU-UHFFFAOYSA-N 324.359 3.208 0 40 DGAB Cc1cc2oc(=O)cc(Cn3nnnc3C3CCCC3)c2cc1C 54659379 IXUUFORIXDEWDB-UHFFFAOYSA-N 324.384 3.102 0 40 DGAB Cc1nc2cc(Cl)ccc2cc1C(=O)NC[C@H]1CCCO1 24538934 JHXCUTQOTHCKBZ-CYBMUJFWSA-N 304.777 3.105 0 40 DGAB Cc1ccc(C)c(NC(=S)NCCCN2CCCCC2)c1 7369661 HOBFGOLZCKCIRH-UHFFFAOYSA-N 305.491 3.466 0 40 DGAB C[C@@H](NC(=O)NCCOc1ccc(Cl)cc1)c1cccnc1 48067265 OFZANOVVIZACBE-GFCCVEGCSA-N 319.792 3.174 0 40 DGAB CC(C)[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 21871834 OLKBMUIVWBXGFT-GOEBONIOSA-N 324.424 3.353 0 40 DGAB CC(=O)c1cc(C(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1 44231348 WZUUSSGOCQJCCB-NWDGAFQWSA-N 316.323 3.079 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2c(F)cccc2[nH]1 23876493 IVLXIVNWJYLZDV-UHFFFAOYSA-N 312.300 3.331 0 40 DGAB O=C(CC1[C@H]2CCC[C@H]1CN(CC1CC1)C2)NCc1ccco1 107261179 JVUXMBVMZPITQC-HOTGVXAUSA-N 316.445 3.044 0 40 DGAB CCCN1CCC(NC(=O)CCc2c[nH]c3ccccc23)CC1 58405026 YMTOVVRQJGWREX-UHFFFAOYSA-N 313.445 3.091 0 40 DGAB Cc1cc(NC(=O)[C@H](C)Nc2cccc(C(F)(F)F)c2)no1 11039984 INQDZIZNVXHENO-VIFPVBQESA-N 313.279 3.441 0 40 DGAB O=C(CCn1cnc2ccccc21)N[C@@H]1CCc2cc(F)ccc21 84605665 SYOUKQVEMVRSSW-MRXNPFEDSA-N 323.371 3.369 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1nnc(C(F)F)s1 60047368 FGFHIVIDUMGVPL-UHFFFAOYSA-N 319.720 3.390 0 40 DGAB CCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 12806806 VPTIUQIGMXKVLR-UHFFFAOYSA-N 306.369 3.074 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1 3424622 JTTWSMCJZKIWTD-BBRMVZONSA-N 303.402 3.155 0 40 DGAB Cc1c([C@H](C)NC(=O)N2CCC[C@@H]2c2cccs2)cnn1C 47007470 XYICGJPLOXBBCE-SMDDNHRTSA-N 318.446 3.398 0 40 DGAB COc1ncccc1NC(=O)N1CCC[C@@H]1Cc1ccccc1 48415332 VETKJBJBWDDQLO-OAHLLOKOSA-N 311.385 3.329 0 40 DGAB CC[C@H]1CO[C@H](C)CN1CC(=O)Nc1cccc2ccccc12 12950898 QATSPGWNXJVEJA-ZBFHGGJFSA-N 312.413 3.278 0 40 DGAB Cc1cc(CNC(=S)Nc2cccc(C(F)(F)F)c2)no1 63174146 XHLYDRXBCSVRCW-UHFFFAOYSA-N 315.320 3.488 0 40 DGAB O=C(Nc1ccc2nc(-c3ccccn3)[nH]c2c1)c1ccccn1 71281112 OGNPHDOWZSPJQN-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB C[C@H]1CNCCN1Cc1ccc(OC(F)(F)F)c(Cl)c1 67799439 QKXBYOZSTDWNOD-VIFPVBQESA-N 308.731 3.032 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@@H](c3nc(C)cs3)C2)cn1 72298676 SDKCKVLWDRFZST-OAHLLOKOSA-N 315.442 3.104 0 40 DGAB CN(C(=O)C[S@](=O)Cc1ccccc1Cl)c1ccccc1 5208511 FCYYSJCTCULPMQ-NRFANRHFSA-N 321.829 3.252 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc2c(c1)NC(=O)CO2 14022389 HQKTUNPSNRDMHE-UHFFFAOYSA-N 316.744 3.232 0 40 DGAB CCC[C@H](C)CC(=O)NC1CCN(C(=O)c2ccccc2)CC1 65554017 CQENYOFPCLBIEE-HNNXBMFYSA-N 316.445 3.234 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1cc2cc(F)ccc2[nH]1 5345723 VUIYHYCCPXAJES-UHFFFAOYSA-N 312.300 3.331 0 40 DGAB CC(=O)c1ccc(NC(=O)CCN2CCCCCCC2)cc1 24896396 BRTMAFXEXMKCRW-UHFFFAOYSA-N 302.418 3.484 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cnc2ccccc2n1 6608404 KIGPWLJNWGUQPO-UHFFFAOYSA-N 316.364 3.084 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1N 9314857 NGCNLWFEGDLQRC-CYBMUJFWSA-N 312.369 3.070 0 40 DGAB c1cnc(-c2nc3c4c5c(sc4ncn3n2)CCCCC5)cn1 4772679 CNQCQPGBHNKOFO-UHFFFAOYSA-N 322.397 3.065 0 40 DGAB CCOc1ccc(C(=O)NCCCc2cccc(OC)c2)cc1 66435669 YQOIMUZBGSMLJS-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB COC(=O)c1ccccc1-c1cc(C(=O)OC)c2ccccc2n1 14987685 GEQOSLZNYUWICQ-UHFFFAOYSA-N 321.332 3.475 0 40 DGAB Fc1ccc2nc(-c3ccc(N4CCOCC4)c(F)c3)[nH]c2c1 66966097 OBRZZBLKAUOVCQ-UHFFFAOYSA-N 315.323 3.345 0 40 DGAB CCOC(=O)c1c(F)c(F)c(-n2nc(C)cc2C)c(F)c1F 15202674 OFQJFLMWIMBQJO-UHFFFAOYSA-N 316.254 3.222 0 40 DGAB CCOc1cccc(NC(=O)Nc2ccc([S@](C)=O)cc2)c1 97103668 ZGDSFXVUKICCFG-JOCHJYFZSA-N 318.398 3.467 0 40 DGAB CC[C@H](NCc1nnc(C)o1)c1nc(C(F)(F)F)cs1 97111011 YZFIIWJJPJIJHV-ZETCQYMHSA-N 306.313 3.094 0 40 DGAB COc1ccc(CNC(=O)c2ccc(F)cc2Cl)cc1OC 15700742 RBUSRLIOAVWNLJ-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)N(C)Cc1ccc(C)cc1 7421318 UWYSEOGOFHZVJH-HNNXBMFYSA-N 312.413 3.463 0 40 DGAB Cc1nc(CNC(=O)[C@H](C)Oc2cccc(C)c2C)cs1 15832234 GZDQETYJHHUWTH-LBPRGKRZSA-N 304.415 3.152 0 40 DGAB O=C(NCCNc1ccccn1)c1c[nH]cc1-c1ccc(F)cc1 96435996 URDUWQDGPPDJKO-UHFFFAOYSA-N 324.359 3.058 0 40 DGAB CCN(Cc1ccccc1)Cc1cc(=O)n2ccc(C)cc2n1 16336949 ZUYQIVSIFIHJPP-UHFFFAOYSA-N 307.397 3.025 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(F)cc2F)c1 8062593 GOMZCNQYAPQKHW-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB COc1cccc(CSc2nnnn2-c2ccc(C)cc2)c1 8282735 XXWJIQBBMIEFAG-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)c1cccc(NC(C)=O)c1 69655061 AVNHKUJCDXRVHV-UHFFFAOYSA-N 314.360 3.446 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)cn1 69628303 VMQIVHBXJRHKAM-SFHVURJKSA-N 322.412 3.198 0 40 DGAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H]1c1cnn(C)c1 69628188 LESWQYPLXUBCIY-GOSISDBHSA-N 322.412 3.047 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)C(=O)c1cccc2cccnc12 18156421 MAIISJYWJLCICN-UHFFFAOYSA-N 320.348 3.236 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N)cc2Cl)c(OC)c1 20022183 UOHUMUKCTBLCNN-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB Oc1ccc(O)c(-c2ccnc3c(-c4ccccc4)cnn23)c1 72405043 HDCJJBFBQAVJCL-UHFFFAOYSA-N 303.321 3.475 0 40 DGAB Cc1cccc(NC(=O)N2CCO[C@H](c3ccccc3C)C2)n1 97378624 VVGDZRTZBPSSRP-INIZCTEOSA-N 311.385 3.304 0 40 DGAB Cc1ccc(-c2nnc(CN3CCCC[C@@H]3c3cn[nH]c3)o2)cc1 84174716 XEIYWADPFYVIGQ-MRXNPFEDSA-N 323.400 3.495 0 40 DGAB OC[C@@H](NCc1ccc(F)cc1C(F)(F)F)c1ccco1 95988363 FDSOMASJTKSHEU-GFCCVEGCSA-N 303.255 3.261 0 40 DGAB COc1cccc(C(C)(C)CNC(=O)c2[nH]c(C)cc2C)c1 95972803 WZVCNXXXZVPLBX-UHFFFAOYSA-N 300.402 3.348 0 40 DGAB COc1ccc2cc(CNC(=O)c3ccc(OC)nc3)ccc2c1 9942307 VKGNNCFGWLKKRM-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1cnc2ccccc2n1 26135761 KNVOWXXOUXCVCN-UHFFFAOYSA-N 307.353 3.037 0 40 DGAB Cc1cc2c(cc1/C=C1/SC(=O)N(C(C)C)C1=O)OCO2 409023263 WEFYQNMTKYGBCY-AWNIVKPZSA-N 305.355 3.168 0 40 DGAB CC[C@@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2)cs1 72264939 VJDCLZLQWIWNTB-LLVKDONJSA-N 304.415 3.481 0 40 DGAB CSC[C@@H](CCO)NC(=O)Nc1ccccc1C(C)(C)C 77659977 YTVUGGWORTVHCP-GFCCVEGCSA-N 310.463 3.220 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(Cl)c2O)cc1OC 69707006 LSUIVXOSXVSCJQ-UHFFFAOYSA-N 321.760 3.244 0 40 DGAB CCO[C@@H]1C[C@H](Nc2ncccc2-c2nc(C)no2)C12CCC2 78360661 RWEGORFVKQLPSC-UONOGXRCSA-N 314.389 3.200 0 40 DGAB COc1ccc(S(=O)(=O)NC2CCCCCCC2)cc1F 30289238 UVIKDYYXCDSBKL-UHFFFAOYSA-N 315.410 3.226 0 40 DGAB c1ccc(Nc2nc([C@@H]3CCCN3c3ncccn3)cs2)nc1 72384823 TWEFKUFBSZMDET-ZDUSSCGKSA-N 324.413 3.413 0 40 DGAB CC(C)n1cc(S(=O)(=O)Nc2ccc(F)c(Cl)c2)cn1 72239255 KMPPKQZSIDNPLQ-UHFFFAOYSA-N 317.773 3.057 0 40 DGAB CC(=O)N1CCC[C@@H]1c1nc(N)ncc1-c1ccc(Cl)cc1 72354600 LSAYVWZURNPTAT-CQSZACIVSA-N 316.792 3.063 0 40 DGAB COc1ccc2c(c1)c(C(=O)NCCc1ccccc1)cn2C 79189403 GRNGUNMKXHFLMN-UHFFFAOYSA-N 308.381 3.159 0 40 DGAB biogenic CCOCCOc1ncc(NC(=O)C2(C)CCCC2)cc1C 225881156 HQXGNRXPNQUZLP-UHFFFAOYSA-N 306.406 3.324 0 40 DGAB O=C([C@@H]1CCCO1)N(CCC(F)(F)F)Cc1ccccc1 191941869 FCOPSQGFSHSOCW-ZDUSSCGKSA-N 301.308 3.147 0 40 DGAB CCOC(=N)Cc1cc(OC)c(OC)cc1Br 228941650 ATICHAVAARXNNS-UHFFFAOYSA-N 302.168 3.023 0 40 DGAB C[Si](C)(C)CN1C(=O)c2ccccc2[C@]1(O)c1ccccc1 195524827 OEJXWGUNFGNNGO-GOSISDBHSA-N 311.457 3.213 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCCOc1ccccc1 224432900 IVUZFZPFWHUBTP-KRWDZBQOSA-N 313.397 3.348 0 40 DGAB CCCCc1ccc(NC(=O)C(=O)NC2CCCCC2)cc1 42646695 NDXKZJLGZDAKIO-UHFFFAOYSA-N 302.418 3.417 0 40 DGAB CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 192679500 OZRKEYHBSIOAKK-CZUORRHYSA-N 318.417 3.109 0 40 DGAB Fc1ccc(OCCC2CCNCC2)c(Br)c1 42773531 IQPTZNQOUOOESK-UHFFFAOYSA-N 302.187 3.357 0 40 DGAB Cc1c(NC(=O)N2CCSCC[C@H]2C)cccc1N(C)C 190138052 ROVMGYNWLUIIAP-GFCCVEGCSA-N 307.463 3.420 0 40 DGAB Cc1ccccc1NC(=O)N1CCC[C@]2(CCCC(=O)N2C)C1 96229736 WOHRBIIDOGFVII-GOSISDBHSA-N 315.417 3.004 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c(C)c1 96421866 OOXSTBOFOAOXHW-IMJJTQAJSA-N 318.417 3.329 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)CCCOC(C)C)o1 97371624 PSGMIEBTJUZPOK-AWEZNQCLSA-N 311.447 3.410 0 40 DGAB C[C@H](NC(=O)C[C@H](C)Cc1cccc(F)c1)c1nccn1C 585113839 AJLAADSPZDUEIZ-OLZOCXBDSA-N 303.381 3.005 0 40 DGAB COc1cccc([C@@H]2[C@H](N[C@H]3CCSC3)CCN2C2CC2)c1 253370911 XYEMDGFQZUDOKC-BMGDILEWSA-N 318.486 3.068 0 40 DGAB C[C@]1(O)CCCC[C@H]1[C@@H]1CCCN1C(=O)COC1CCCCC1 502099448 SJWCUYSUCKVUKP-LNLFQRSKSA-N 323.477 3.268 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)NCc1ccc(C(=O)O)cc1 263199414 UTXWFTCTYHDMMN-UHFFFAOYSA-N 301.342 3.340 0 40 DGAB Cc1ccc(CN[C@H]2CCC[C@@H](Oc3ccccc3)[C@@H]2O)cc1 585289717 VYWXCNZKYVKGKI-XUVXKRRUSA-N 311.425 3.446 0 40 DGAB O=C(CSCc1cccc2ccccc12)NC1CCOCC1 69698226 HRZPOFZHFNEHDL-UHFFFAOYSA-N 315.438 3.368 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@@H](COc2ccncc2)C1 1776000884 OFZIPJIHOLYSIM-OAHLLOKOSA-N 311.385 3.405 0 40 DGAB CN(Cc1ccccn1)C(=O)c1cccn1Cc1cccs1 58977289 PSHPPJKNBYZZOU-UHFFFAOYSA-N 311.410 3.265 0 40 DGAB Cc1nc(C2(NC(=O)C[C@H](C)c3ccccc3)CCCC2)no1 55552609 KLIPTRXNXPMMNO-ZDUSSCGKSA-N 313.401 3.457 0 40 DGAB CC(C)COC1CCN(C(=O)CCc2ccc(F)cc2)CC1 55910413 BRDISRJLUQGSTP-UHFFFAOYSA-N 307.409 3.422 0 40 DGAB CCc1nc([C@H]2CCCN(Cc3ccncc3Cl)C2)no1 76050326 FXPICPFHSBYAJD-LBPRGKRZSA-N 306.797 3.060 0 40 DGAB Nc1nc(Cl)cc(NCCc2nc3cc(F)ccc3s2)n1 84459485 LQSIDESMHOUUOC-UHFFFAOYSA-N 323.784 3.116 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2cc(Cl)cn2C)C1 89755002 PYKGHUKTWONPCX-DGCLKSJQSA-N 315.870 3.104 0 40 DGAB C[C@H](NC(=O)N[C@@H](C)[C@H]1CCCO1)c1ccc(Cl)s1 93119806 WUVYJPFEHNNJHR-LPEHRKFASA-N 302.827 3.329 0 40 DGAB CCS[C@@H]1CC(=O)N(c2ccc(Cl)cc2Cl)C1=O 19765814 CRJIKEDAIVBNRT-SNVBAGLBSA-N 304.198 3.378 0 40 DGAB N[C@H](CC(=O)O)Cc1ccccc1-c1cccc(Cl)c1F 1772714770 SOWJXAOVBHHVEZ-NSHDSACASA-N 307.752 3.491 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(F)c(Cl)c2)cc1 5251067 VAWRVPHCJIINIJ-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Clc1ccccc1COc1cccc(CNn2cnnc2)c1 5898417 LYXBVDSKUXNMCK-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB CC(C)[C@H](CNc1nc2ccccc2s1)N1CCOCC1 12913729 FSVLHAHMAFAVSC-AWEZNQCLSA-N 305.447 3.065 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1ccc(N2CCCC2=O)cc1 15564143 JFBYBQBIDLUMJA-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1ncncc1C(=O)NCC1(c2ccccc2F)CCCC1 19553021 UGHBSKAXRHIRIC-UHFFFAOYSA-N 313.376 3.166 0 40 DGAB COc1ccc(SCC(=O)N2CCC[C@@H](C)C2)cc1OC 19931665 FUCXIKSAGJIMGG-GFCCVEGCSA-N 309.431 3.054 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1ccccc1F)OC(=O)C2 999145 AOTMKPMQISHXAF-KRWDZBQOSA-N 302.301 3.032 0 40 DGAB O=C(CCc1ccccc1)NCC1CCN(C2CCCC2)CC1 23127964 BYIJCZOEDMGVPO-UHFFFAOYSA-N 314.473 3.390 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CC[C@@]1(Nc1ccccc1)C(=O)O 205416057 JNEUTURXWCPFHN-JXFKEZNVSA-N 324.424 3.464 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(Oc2nccs2)C1 206920715 PAEBXNUMHRPRCT-UHFFFAOYSA-N 310.378 3.200 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)OCc1ccccc1 38304536 UVPBTBMYZNTBRY-UHFFFAOYSA-N 306.362 3.181 0 40 DGAB Cc1cccc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)n1 40489043 HFHAMQRHNPWBJF-AWEZNQCLSA-N 312.369 3.200 0 40 DGAB CCc1cccc(NC(=O)NC[C@@H](O)c2ccccc2OC)c1 40526320 IMNKLJQCZINCJJ-MRXNPFEDSA-N 314.385 3.113 0 40 DGAB Cc1cn(CC(=O)Nc2nccn2CC(C)C)c2ccccc12 51415404 GYAJRMBFYHWJOC-UHFFFAOYSA-N 310.401 3.441 0 40 DGAB COCCOc1cccc(CNc2ncnc3ccccc23)c1 52411904 LWBUBVJAWFCBKC-UHFFFAOYSA-N 309.369 3.267 0 40 DGAB O=C(NCCc1nc(-c2ccccn2)cs1)c1ccccc1 41132840 UIXCFBHOKKZKTG-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB COc1ccnc(Nc2ccc3c(c2)nc2n3CCCCC2)n1 32907686 QXZLFGQXFNITLP-UHFFFAOYSA-N 309.373 3.305 0 40 DGAB CN(C)c1ccc([C@H]2C(=O)c3cc4ccccc4nc3C2=O)cc1 480636 ITIKCUQWGIOWKZ-KRWDZBQOSA-N 316.360 3.464 0 40 DGAB O=C(/C=C/c1cccnc1)Nc1cccc(Oc2cnccn2)c1 33137844 RGLDIRUDSWARKJ-VOTSOKGWSA-N 318.336 3.316 0 40 DGAB Cc1cc(NC(=O)c2ccco2)ncc1NC(=O)c1ccco1 412301 XAJNNZBCYQUCNM-UHFFFAOYSA-N 311.297 3.081 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)N2CCCC[C@H]2C)cc1 2627756 YFUXLTDEUVWQCF-GFCCVEGCSA-N 306.431 3.138 0 40 DGAB O=C(Cc1ccc(Br)cc1)NCc1ccc(F)cc1 3430455 BWUJWAAMWAJQKN-UHFFFAOYSA-N 322.177 3.447 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)NCc3ccccc3)cc2)n1 3480486 VQBNQZQADKAYEJ-UHFFFAOYSA-N 305.381 3.419 0 40 DGAB O[C@H](CNCc1ccc(F)cc1)CSc1ccc(F)cc1 4073046 OHUVERZPCAUNML-OAHLLOKOSA-N 309.381 3.208 0 40 DGAB O=C1CCCN1CN(C(=O)c1ccccc1)c1ccc(F)cc1 4101282 JJTNIAPDVUSUFY-UHFFFAOYSA-N 312.344 3.052 0 40 DGAB c1ccc(-c2nnc(SCc3cn4cccnc4n3)o2)cc1 4150375 CHVITRQRRAQBCO-UHFFFAOYSA-N 309.354 3.072 0 40 DGAB Cc1ccc([C@@H](c2nnnn2C(C)(C)C)N2CCCCC2)cc1 4476871 OGYRWWIGOBAZSV-INIZCTEOSA-N 313.449 3.312 0 40 DGAB CCOc1cc(C=O)ccc1OCCOc1cccc(OC)c1 4502098 PGVOABSTXCWAGI-UHFFFAOYSA-N 316.353 3.364 0 40 DGAB CC(C)[C@H]1CC[C@H](C)C[C@H]1OCC(=O)O[C@@H]1CCCC[C@@H]1O 4800363 UPZNNAMOUNPNMB-DMRKSPOLSA-N 312.450 3.311 0 40 DGAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4cccs4)cc1c32 5153670 CMUQXWGMFHSSBK-JTQLQIEISA-N 312.394 3.397 0 40 DGAB COc1ccccc1-c1ccc(=O)n(Cc2ccc(F)cc2)n1 5396819 NXXDVCFIRLSMLG-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB O=C(Nc1cc(=O)c2ccccc2o1)C(Cl)(Cl)Cl 5669056 QMYCASIMWPHWDA-UHFFFAOYSA-N 306.532 3.102 0 40 DGAB O=S(=O)(NC1CCCCCCC1)c1ccc(Cl)nc1 6314943 HXMYTTNBPMVMOS-UHFFFAOYSA-N 302.827 3.126 0 40 DGAB Cc1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1F 7381937 ZVJDHCIIQROCIM-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CCOc1ccc(NC(=O)C[C@@H](C)n2nc(C)cc2C)cc1 7616302 SQEVQBDXGVGKJH-CQSZACIVSA-N 301.390 3.488 0 40 DGAB CCN1CCN(c2ccc(NC(=O)C[C@H]3C=CCC3)cc2)CC1 9157341 PBAMKAAPIOCWIF-INIZCTEOSA-N 313.445 3.123 0 40 DGAB CCn1ccnc1S[C@H](C)C(=O)Nc1ccc(C(C)=O)cc1 11889059 SSEABRUJEBSKSH-GFCCVEGCSA-N 317.414 3.225 0 40 DGAB CN(C)c1ncc(-c2ccc3c(c2)OCO3)c(-c2cccnc2)n1 12089524 YNIKTZWPLPVJTE-UHFFFAOYSA-N 320.352 3.000 0 40 DGAB CN1C(=O)COc2ccc(NC(=O)CCC3CCCCC3)cc21 12350521 URTDTZIMSQDBOI-UHFFFAOYSA-N 316.401 3.341 0 40 DGAB O=C(Nc1cccc(Cl)c1N1CCOCC1)[C@H]1CC=CCC1 12543149 RKIARDHHKXVJKJ-ZDUSSCGKSA-N 320.820 3.471 0 40 DGAB O=C(COc1ccccc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 12577633 ZRGYPEANWZNYGK-QGZVFWFLSA-N 321.380 3.305 0 40 DGAB Cc1ccc(Oc2ncnc3c2cnn3C)c(Br)c1 12912326 STRXWGFQKOHAKD-UHFFFAOYSA-N 319.162 3.227 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(OC[C@@H]2CCCO2)cc1 14638614 CQCMGXRFDRXKEK-SFHVURJKSA-N 311.381 3.426 0 40 DGAB CCOc1ccc(-c2nnc(NC(=O)c3ccccc3)o2)cc1 14721020 KEBMLITWWHVXBC-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB O=C(Nc1ccccc1N1CCOCC1)c1c[nH]c2ccccc12 15480027 SIRCUNHQHKWSEJ-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccccc1SC 21139594 WSTFCJWCDQDYKQ-SNVBAGLBSA-N 313.444 3.032 0 40 DGAB O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(F)cc1 21524031 VJHMEMFDKJBVBH-UHFFFAOYSA-N 301.277 3.040 0 40 DGAB COc1ccc(C(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 21803740 RXJGLEDZBFQZCS-LBPRGKRZSA-N 310.353 3.073 0 40 DGAB CCCNc1nnc(SCC(=O)c2cc(C)[nH]c2C)s1 22416838 ZHQVENJVNDWGKE-UHFFFAOYSA-N 310.448 3.280 0 40 DGAB COC(=O)CCC(=O)Nc1nc(-c2cc(C)ccc2C)cs1 24756062 DFFXQVGGNATMPK-UHFFFAOYSA-N 318.398 3.319 0 40 DGAB CCCCNC(=O)Cn1c(-c2ccccn2)nc2ccccc21 28540283 ZXAOLQIQEMQIAD-UHFFFAOYSA-N 308.385 3.015 0 40 DGAB C[C@@H](Nc1nc2ccccc2o1)c1ccc(S(C)(=O)=O)cc1 29401416 HQXBLXYECYGNEU-LLVKDONJSA-N 316.382 3.404 0 40 DGAB COC(=O)c1ccc(OCc2nc3ccccc3o2)c(OC)c1 31701216 DECALQCGCTYKJS-UHFFFAOYSA-N 313.309 3.202 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@H](N(C)Cc2ccccc2)C1=O 32771839 YMFLPQAUOQRVEZ-KRWDZBQOSA-N 322.408 3.067 0 40 DGAB Cc1cnc(NC(=O)c2cc(-c3cccc(F)c3)no2)s1 32833281 AXBPYGDIRKPNPI-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB COCc1ccc(C(=O)NC[C@H](C)N2CCc3ccccc32)cc1 33056172 CDZQGVVVNXELJS-HNNXBMFYSA-N 324.424 3.014 0 40 DGAB C[C@@H](N[C@@H]1CCCCNC1=O)c1cc(F)c(Cl)cc1Cl 35055221 YXYFVYLOIDYPLA-AMIZOPFISA-N 319.207 3.452 0 40 DGAB Cc1cc(C)cc(C[C@H]2CC(=O)N(c3cccc(C)n3)C2=O)c1 35142316 SEAVCISFIFNPDC-INIZCTEOSA-N 308.381 3.129 0 40 DGAB C[C@@H]1CCc2c([nH]c3ccccc23)[C@]2(N1)C(=O)Nc1ccccc12 35877797 BMFCCEQNFFZBBI-ODXCJYRJSA-N 317.392 3.288 0 40 DGAB biogenic Cc1ccc(OCCC(=O)NCCc2ccc(F)cc2)cc1 36397086 RGOBBRPCKDDHEP-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCO[C@H]1CCCC[C@H]1C 40534987 OMAXGUITLUHHRB-OCCSQVGLSA-N 308.422 3.432 0 40 DGAB O=C(c1ccncc1)N1CCn2cccc2[C@H]1c1ccccc1 44575737 BGJFRMNKWBUDET-GOSISDBHSA-N 303.365 3.129 0 40 DGAB CCSc1nnc(NC(=O)CCC(=O)c2ccccc2)s1 44866031 YYOWLEACTNHQIB-UHFFFAOYSA-N 321.427 3.252 0 40 DGAB O=C(NCc1ccc2ccccc2c1)[C@H]1COc2ccccc2O1 45201523 DAJGXWJDDIUZKD-LJQANCHMSA-N 319.360 3.296 0 40 DGAB CCCCN(C)C(=O)Nc1cc(C(=O)NC2CC2)ccc1C 47987901 GVPBATUTMUVJQU-UHFFFAOYSA-N 303.406 3.151 0 40 DGAB COC(=O)CCCN(C)C(=O)c1sc2cccc(F)c2c1C 55439505 YBGHTUKFPSSQGW-UHFFFAOYSA-N 323.389 3.374 0 40 DGAB O=C(Nc1ccc(Cl)cc1C(F)(F)F)N1CCC[C@H](O)C1 56650805 CKWDKQSJQQGNSH-VIFPVBQESA-N 322.714 3.347 0 40 DGAB COc1ccccc1NC(=O)N1CC[C@H](Nc2ccccc2)C1 58316801 WUDCDBPUSQBPSQ-HNNXBMFYSA-N 311.385 3.414 0 40 DGAB Cc1ccc(C)c(OC2CCN(C(=O)c3cn[nH]c3C)CC2)c1 64312694 OAIKZDDKDXWVLO-UHFFFAOYSA-N 313.401 3.019 0 40 DGAB CCN(CC)C(=O)c1csc(-c2ccc3c(c2)OCO3)n1 65609069 HOBKPINXUKUTMU-UHFFFAOYSA-N 304.371 3.021 0 40 DGAB C[C@@H](c1ccco1)N(C(=O)c1cc2ccccc2[nH]c1=O)C1CC1 65828929 QPMXFPXQEPJCNP-LBPRGKRZSA-N 322.364 3.487 0 40 DGAB CCC[C@@H](NC(=O)c1cccs1)c1nnc2ccccn12 69325777 XVGZRLREEBOJKV-LLVKDONJSA-N 300.387 3.062 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@@H]1Cn1cccn1 69951326 PIDGNLGHKCBRDS-MRXNPFEDSA-N 308.385 3.059 0 40 DGAB Cc1ccc2oc(C(=O)N(C)Cc3nc4ccccc4[nH]3)cc2n1 69971810 ZJUBTKOKHWYRRO-UHFFFAOYSA-N 320.352 3.285 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)N1CCC[C@H](n2ccnc2)C1 71796539 HLAALIJLMPVLGN-AWEZNQCLSA-N 308.385 3.150 0 40 DGAB CCCN(C[C@@H]1CCCCO1)C(=O)c1ccc(OC)cc1OC 71882990 KJFLZQPGSJTXOE-HNNXBMFYSA-N 321.417 3.125 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3sc(C)nc3C)C2)n1 72235683 LKUQEIMBWPJZLA-AWEZNQCLSA-N 318.446 3.051 0 40 DGAB Cc1oc(-c2ccsc2)nc1CSc1ncc(CO)n1C 72307076 VLSXMFRHYQBDFT-UHFFFAOYSA-N 321.427 3.230 0 40 DGAB Cc1cc(-c2cn[nH]c2[C@H]2CCCN(C(=O)C(C)(C)C)C2)on1 72334769 ZKNXVPMIDJZXJC-LBPRGKRZSA-N 316.405 3.125 0 40 DGAB Cc1cn[nH]c1C1(C)CCN(C(=O)c2ccc(F)cc2)CC1 72388923 AODOVVJFBWLLKK-UHFFFAOYSA-N 301.365 3.051 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@@H](C)N(C)Cc1c(C)noc1C 72514707 LFVNSPCCSDHZSD-GFCCVEGCSA-N 319.380 3.198 0 40 DGAB Cc1cnc(CN2CCC(c3nc4c(F)cccc4[nH]3)CC2)o1 72667109 RJZMTYVHHDGFAR-UHFFFAOYSA-N 314.364 3.378 0 40 DGAB COCc1nc(C)cc(N[C@H](C)[C@@H](O)c2ccc(Cl)cc2)n1 75055751 HQOKXIRTTHBPPW-BDJLRTHQSA-N 321.808 3.119 0 40 DGAB CS[C@H](C)C(=O)Nc1cc2c(cc1Cl)OCCCO2 75884048 MGYMSCZPJAAPNE-MRVPVSSYSA-N 301.795 3.191 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)c2cc(C)no2)cc1 78814123 VXIBAIZJDTWBOE-AWEZNQCLSA-N 302.399 3.222 0 40 DGAB CCCn1nnnc1CNc1cccc(-c2nc(C)cs2)c1 79016747 QPBAVIZFTPGALV-UHFFFAOYSA-N 314.418 3.127 0 40 DGAB CCCCS[C@@H](C)C(=O)Nc1cccc(C[S@@](C)=O)c1 79360799 YDZMVFRMDBVBJH-YUNKPMOVSA-N 313.488 3.425 0 40 DGAB COC(=O)Cc1ccccc1NC(=O)CCc1ccsc1 80061636 KPUCHLYABYXSPB-UHFFFAOYSA-N 303.383 3.035 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cnc2ccccc2c1 89919958 KSBQQGUFQJGVBQ-KZULUSFZSA-N 320.348 3.402 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@@H](C)c2ccc(F)cc2)c1 95422673 FWXFGNMKMLDFDO-KPZWWZAWSA-N 319.376 3.227 0 40 DGAB CC(=O)N1CCC(CCN[C@@H](C)c2cc(F)cc(F)c2)CC1 95423684 JATOJGVCYLUMCH-LBPRGKRZSA-N 310.388 3.264 0 40 DGAB Cc1cccc([C@@H](C)CNC(=O)N(C)C2CCC(CO)CC2)c1 95430520 FWMWJLBMTOMJDI-HJOIGYKYSA-N 318.461 3.291 0 40 DGAB CN1CC[C@@H](NCc2ccccn2)[C@@H]1c1ccc(Cl)c(F)c1 95437469 ITZPNGUAWVCWPH-SJORKVTESA-N 319.811 3.409 0 40 DGAB O=C(Nc1ccc2oc(=O)[nH]c2c1)c1ccccc1OCC1CC1 95958496 DRUOCFDLHMJJQC-UHFFFAOYSA-N 324.336 3.162 0 40 DGAB c1coc(CN2CC[C@@H]3OCCC[C@]3(COCC3CC3)C2)c1 96039799 AXHWVVFYWPBOKW-ZWKOTPCHSA-N 305.418 3.077 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@@H]1CNc2ccnn2C1 96316224 LKNJSUGIGLMUTH-UKRRQHHQSA-N 314.433 3.130 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@H](c2ccn[nH]2)C1 96402857 CHFYLVNJZBFPHJ-LBPRGKRZSA-N 323.318 3.448 0 40 DGAB C[C@@H](NC(=O)CC[C@@H]1CCCO1)c1cccc(-n2ccnc2)c1 96432059 UWFVXYPYJCQYNB-PBHICJAKSA-N 313.401 3.009 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NC[C@H]1CCOC1 96436215 QUDYKWLVEDFTBX-LSDHHAIUSA-N 304.434 3.218 0 40 DGAB CCn1nc(C)c(C(=O)Oc2cncc(Cl)c2)c1Cl 96442361 UMSYXXIRSLYUMT-UHFFFAOYSA-N 300.145 3.132 0 40 DGAB C[C@](O)(CNC(=O)c1cc(Cl)c(Cl)[nH]1)c1ccsc1 96450394 IOZBTRXENDTRRS-LBPRGKRZSA-N 319.213 3.021 0 40 DGAB Cc1ccc2c(c1)O[C@@H](C)CN2C(=O)CCc1cscn1 96450800 LHYSEHNNFWVBTG-LBPRGKRZSA-N 302.399 3.198 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)O)c1 102073079 YUQSPGRLVDNISK-HGDXVPPDSA-N 311.381 3.011 0 40 DGAB CS[C@@H]1CC[C@H](N(C)CC(=O)Nc2cccc(C(C)=O)c2)C1 110646120 SBBRGULNOQNWHQ-JKSUJKDBSA-N 320.458 3.044 0 40 DGAB CC[C@@H]1CN(C(=O)[C@H](N)CCSC)CC[C@H]1c1ccccc1 121667173 YTYFMAYFDOFJNW-DJIMGWMZSA-N 320.502 3.109 0 40 DGAB CCOCCCC(=O)Nc1cc(Br)c(F)cc1F 188148376 ILIGZBGASUWNKE-UHFFFAOYSA-N 322.149 3.483 0 40 DGAB COCc1cc(F)ccc1NC(=O)N1CC(C)(C)OC(C)(C)C1 190306613 OLZZUXLRRPPWTN-UHFFFAOYSA-N 324.396 3.393 0 40 DGAB Cc1ccc(CC(=O)NCc2nc(-c3ccccc3)no2)c(C)c1 223597462 AMOGJYKOLAGVRG-UHFFFAOYSA-N 321.380 3.212 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CC 223745348 UPHQSVRJMBMSKD-QGZVFWFLSA-N 318.461 3.429 0 40 DGAB Cc1nc(NC(=S)NC[C@@H]2CCCO2)c(Cl)cc1Cl 223895362 ULRJFXKVHSRTSA-QMMMGPOBSA-N 320.245 3.162 0 40 DGAB C[C@H]1Cc2ccccc2N1c1ncnc2sc(C(=O)O)cc12 226105723 BZNLOKLELVWANM-VIFPVBQESA-N 311.366 3.472 0 40 DGAB Fc1ccc(F)c(CNCc2ccnn2CC(F)(F)F)c1 256054892 YFKJTMOWOCEPKS-UHFFFAOYSA-N 305.250 3.013 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@@H]1CCc1ccncc1 257230270 GBNIZMDIPKAILR-MRXNPFEDSA-N 324.380 3.048 0 40 DGAB CN(Cc1ccc(-c2ccccc2C(=O)O)cc1)c1cnccn1 257284662 PDSCOMJNODUZME-UHFFFAOYSA-N 319.364 3.478 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(Cc2csc(C3CC3)n2)C1 340144934 BHGBBEQWUWMMPG-ZDUSSCGKSA-N 321.490 3.147 0 40 DGAB Cn1cc([C@H](NCc2cc(F)cc(F)c2)C(F)(F)F)cn1 390834072 RFIHDAYIORPBJN-LBPRGKRZSA-N 305.250 3.092 0 40 DGAB CCCCCCNC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710144 QBVVMBWHYVPMIU-UHFFFAOYSA-N 310.482 3.404 0 40 DGAB CCOC(=O)C1=C(c2ccccc2)SC2=NCCCCN21 409207221 QNSGEODNSGQFIK-UHFFFAOYSA-N 302.399 3.117 0 40 DGAB COC(=O)c1cn(Cc2cccc(Cl)c2)nc1C(F)F 575441454 NZDKEUYHTDCPKB-UHFFFAOYSA-N 300.692 3.309 0 40 DGAB COc1ccc(NC(=O)[C@H](Cc2ccccc2)n2cccc2)cn1 575443341 NCFCJEWUBXQMDM-KRWDZBQOSA-N 321.380 3.314 0 40 DGAB O=C(c1ccc(Cl)s1)N1CCC[C@@H](Oc2ccncc2)C1 575604637 BKBNKHHRCMBSOW-GFCCVEGCSA-N 322.817 3.480 0 40 DGAB C[C@H](CC(=O)N[C@H](C)c1cnccn1)Cc1cccc(F)c1 585086791 HGJSHIBBKZBBBA-QWHCGFSZSA-N 301.365 3.062 0 40 DGAB Cc1nc2cc(NC(=O)c3cc4c(nn3)CCC4)ccc2s1 1888906312 XTHXDVUTNXYYFO-UHFFFAOYSA-N 310.382 3.136 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(c2cnccn2)C1 1889149361 OUMAWCBAXOQGFV-UHFFFAOYSA-N 307.401 3.185 0 40 DGAB CC1(C)CC(Nc2noc(-c3ccccc3)n2)CC(C)(C)N1 92195 FSOSABLLXQCJPD-UHFFFAOYSA-N 300.406 3.458 0 40 DGAB COc1ccc(/C=C/C(=O)O[C@H]2CCCC[C@@H]2CN(C)C)cc1 3178402 YFCDMEJSQRDGGK-RNQQZGMQSA-N 317.429 3.372 0 40 DGAB Cc1ccc(C)c([C@@H](C)NC(=O)[C@@H]2CCCC[C@@H]2C(=O)O)c1 6730153 YWCJWEKQAAACAB-KFWWJZLASA-N 303.402 3.372 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C1CCCCC1)c1ccc(F)cc1 12530708 WTLDLSCPASRXQI-INIZCTEOSA-N 315.392 3.345 0 40 DGAB Cc1ccc(CC(=O)N[C@@H](c2ccccc2)c2nccn2C)cc1 12559933 MBUZTSHFYPPSHQ-IBGZPJMESA-N 319.408 3.177 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1cccc(N2CCCC2=O)c1 7923888 BWZGSWPCZBNRJZ-VAWYXSNFSA-N 306.365 3.465 0 40 DGAB Fc1ccc(CSc2nc3ncccn3n2)c2ncccc12 24570299 LYJXPQLFYJXDSG-UHFFFAOYSA-N 311.345 3.104 0 40 DGAB COc1cccc(CC(=O)Nc2cccc(-c3ccn[nH]3)c2)c1 24894678 MEEVCOLJLVYOFE-UHFFFAOYSA-N 307.353 3.267 0 40 DGAB O=C(Nc1ncccc1O)c1cc(-c2ccccc2Cl)on1 47932684 VPJIVMMTXHOBOR-UHFFFAOYSA-N 315.716 3.348 0 40 DGAB COC(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1 8267959 BUAHUMYARBAAKC-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB Cc1occc1C(=O)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55944814 MIYDBDQDTYXGMC-HOTGVXAUSA-N 303.333 3.377 0 40 DGAB Cc1ccc(NCc2cc(=O)n3cc(Cl)ccc3n2)c(F)c1 25602951 IQXUBLJTJHXFCS-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB CN(Cc1c(F)cccc1Cl)Cn1c(=O)oc2ccccc21 57395313 AMSHSHQRDRFPTI-UHFFFAOYSA-N 320.751 3.477 0 40 DGAB O=C(Nc1cccc(Cl)c1)Nc1ncc2c(n1)CCCC2=O 9287374 NRXGJXCPEHWUNM-UHFFFAOYSA-N 316.748 3.293 0 40 DGAB CC1CCC(NC(=O)Cc2ccc(N3CCCC3=O)cc2)CC1 12755305 CTQQKZCHOMBJQU-UHFFFAOYSA-N 314.429 3.051 0 40 DGAB Cc1c(C(=O)N(C2CC2)[C@@H](C)C(C)C)[nH]c2c1C(=O)CCC2 58262747 VUMQCMINFRCXLO-LBPRGKRZSA-N 302.418 3.491 0 40 DGAB C[C@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1 12772133 ZVSCPQXKKALHKV-CYBMUJFWSA-N 306.365 3.062 0 40 DGAB Cn1c(SCc2cccnc2)nnc1-c1ccccc1F 27778469 UZOVHLJDZWNEAU-UHFFFAOYSA-N 300.362 3.309 0 40 DGAB C[C@H](NCCCn1ccnc1)c1ccc(Br)cc1 20506307 PZUNKKSRPODPGY-LBPRGKRZSA-N 308.223 3.387 0 40 DGAB c1cc(NCc2ccccc2-n2cccn2)cc(-c2nc[nH]n2)c1 95437431 RRWDZDGMWBUHHY-UHFFFAOYSA-N 316.368 3.270 0 40 DGAB Cc1ccc2ncn(C[C@@H](O)c3ccccc3Cl)c(=O)c2c1 48366347 PVXSAMJDEKMNIR-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC1CCCC1 48356660 KIOXXUFHRXPKNR-UHFFFAOYSA-N 301.390 3.408 0 40 DGAB C[C@@H](CCc1cccc(F)c1)NC(=O)N(C)Cc1nccs1 95405662 MZJFZPHKGTYAAT-LBPRGKRZSA-N 321.421 3.445 0 40 DGAB Cc1ccc([C@H](NC(=O)NC2(CO)CCCC2)C2CC2)cc1 95966410 KUSKFNVAGGTDLV-INIZCTEOSA-N 302.418 3.050 0 40 DGAB COc1ccc(CNCc2ccc(Br)nc2)cc1 95976155 MPFXEKZZNBODPY-UHFFFAOYSA-N 307.191 3.143 0 40 DGAB O=C(COC(=O)c1cc2c(s1)CCCCC2)c1ccc[nH]1 3432614 AVCJGKRDVKYJQL-UHFFFAOYSA-N 303.383 3.385 0 40 DGAB O=C(NCCCN1CCc2ccccc21)c1cc(F)cc(F)c1 29521102 CGTHRCRDNLDURH-UHFFFAOYSA-N 316.351 3.147 0 40 DGAB COc1cccc(N2CCC(N[C@@H](C)CC(C)(C)OC)CC2)c1 95421277 LYWMBWQPBYLZGL-HNNXBMFYSA-N 320.477 3.457 0 40 DGAB O[C@@H](COCc1cccs1)Cn1ccc(-c2ccccc2)n1 95438781 NSSZFFQPULEYJN-OAHLLOKOSA-N 314.410 3.189 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C)(C(=O)N[C@H]2C=CCCC2)CC1 95433988 JQQBDNSNAUPRPO-AWEZNQCLSA-N 322.449 3.249 0 40 DGAB O=C(Cc1cc(-c2ccco2)on1)NCCC1=CCCCC1 23127225 MIQIJTNTUKSUQL-UHFFFAOYSA-N 300.358 3.484 0 40 DGAB C[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 25368271 DFGBEHGDXHCJCT-CYBMUJFWSA-N 307.390 3.049 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2ncc(Cc3ccccc3)s2)cn1 12974268 LKTXAHAAXWPMQL-BQYQJAHWSA-N 324.409 3.119 0 40 DGAB C[C@@H](Oc1ccc(F)cc1)C(=O)Nc1nc2c(s1)CCC2 12953300 UGDANCHJKIALEX-SECBINFHSA-N 306.362 3.177 0 40 DGAB CC[C@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 13003426 BDXAMAWPEODBPV-NSHDSACASA-N 301.365 3.028 0 40 DGAB Cc1nc2ccc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)O)cc2s1 13249541 WYPPNVQEWMDKRP-RYUDHWBXSA-N 316.382 3.210 0 40 DGAB Cc1cc(NCc2c(C)n[nH]c2C)ccc1C(=O)NC(C)C 97235425 CHVFICLAKPBILT-UHFFFAOYSA-N 300.406 3.085 0 40 DGAB O=C(Nc1ccc2c(c1)OC1(CCCC1)O2)NC1CCOCC1 84489902 FIRKZAMKRHVBIY-UHFFFAOYSA-N 318.373 3.029 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)CSC(C)(C)C 14018641 IPTGZBIAPGLTLX-UHFFFAOYSA-N 310.419 3.124 0 40 DGAB S=c1n(CN2CCc3sccc3C2)nc2n1CCCCC2 14138210 KYZNFFNCIRRLNR-UHFFFAOYSA-N 320.487 3.218 0 40 DGAB S=C(NCc1nc(-c2cccs2)no1)Nc1ccccc1 65705241 VVQHFPLUHJVHNU-UHFFFAOYSA-N 316.411 3.285 0 40 DGAB O=C(COc1ccc(F)cc1Cl)NCCc1cccs1 14221949 NRNXNVWAVLKIFH-UHFFFAOYSA-N 313.781 3.278 0 40 DGAB COC(=O)c1ccc(NC(=O)c2ccc(CSC)o2)cc1 9385158 HFMVRRODWFVZBS-UHFFFAOYSA-N 305.355 3.182 0 40 DGAB Cc1ccccc1Nc1nc(C(=O)NC[C@@H]2CCCO2)cs1 4687878 DLCSJQLZFQBZNK-LBPRGKRZSA-N 317.414 3.104 0 40 DGAB Cc1ccc([C@@H]2C3=C(N=C4NC=NN42)c2ccccc2OC3)cc1 5532967 XRWHEWGLSVWKDD-GOSISDBHSA-N 316.364 3.058 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1ccc2c(c1)OCCCO2 14738043 NREAPEYXFBVTOX-UHFFFAOYSA-N 317.316 3.005 0 40 DGAB Cc1ccc(-n2ccnc2SCC(=O)NCC(C)C)c(C)c1 4894661 NZLPNYOJCCZLCA-UHFFFAOYSA-N 317.458 3.353 0 40 DGAB CN1c2ccccc2C(=O)N[C@@H]1c1ccc(OC(F)F)cc1 6911179 IPGHJGSINTVCSM-AWEZNQCLSA-N 304.296 3.166 0 40 DGAB COC(=O)[C@@H](Sc1nc(C)c(C)c(C)n1)c1ccccc1 9450849 HSVRRDIXNQMIBQ-AWEZNQCLSA-N 302.399 3.408 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc(Cl)cc2C(N)=O)cc1 67776268 GVVYAIVBMHRILU-UHFFFAOYSA-N 316.788 3.319 0 40 DGAB CN(C)C(=O)CCCC(=O)Nc1ccc(F)cc1OC(C)(C)C 95451956 BKERJNNXNXXOQL-UHFFFAOYSA-N 324.396 3.200 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc(F)cc(F)c2)c(F)c1 16147243 PFAMLIUJAUESNL-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB Cc1cc(NC(=O)CC[C@@H]2CCCO2)ncc1Br 94063795 VFJRNQIGEDWABR-JTQLQIEISA-N 313.195 3.050 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)CN1C[C@H](C)O[C@H](C)C1 16443854 GNLSBPLMFFANHK-GASCZTMLSA-N 304.434 3.166 0 40 DGAB C[C@H](NC(=O)CN(C)Cc1ccc(F)cc1)c1ccccc1 8120448 NVOOKFZUBWULIO-AWEZNQCLSA-N 300.377 3.135 0 40 DGAB CCc1noc(C)c1C(=O)N(C)Cc1nc2ccccc2s1 8265950 GHCMYNLAOHZJOG-UHFFFAOYSA-N 315.398 3.427 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2cc(Cl)ccc2F)c1 70005137 YYZSKTQUDJPLMS-ZDUSSCGKSA-N 321.783 3.289 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@@H]2CCCC[C@@H]21 71846881 VNIODUUACNRHJS-GUYCJALGSA-N 310.397 3.323 0 40 DGAB COc1ccc(CC[C@H](C)NC(=O)c2c(C)noc2C)cc1 95956147 RJAPXCHKMIDHAT-NSHDSACASA-N 302.374 3.051 0 40 DGAB Cc1ncsc1CCS(=O)(=O)CCCc1ccccc1 84066511 YVACDTFWTGPRPO-UHFFFAOYSA-N 309.456 3.042 0 40 DGAB CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ncccc2C)c1 97015447 KHNWWWUKIUYIJB-UHFFFAOYSA-N 324.789 3.047 0 40 DGAB Cc1ccc(CC(=O)N[C@@H](CC(=O)O)c2ccc(F)cc2)s1 97017502 HLYVQEACPRETJJ-AWEZNQCLSA-N 321.373 3.070 0 40 DGAB CN(Cc1ccncc1)C(=O)NC[C@@H]1C[C@]12CCc1ccccc12 88620565 WWCUJYZLVBMRBV-FXAWDEMLSA-N 321.424 3.127 0 40 DGAB Cc1cccc(NC(=O)N(C)Cc2cc(F)c(F)c(F)c2)n1 97142833 OSCGBMWLQBARJQ-UHFFFAOYSA-N 309.291 3.471 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@@H](C)Cc2c(C)noc2C)c1 97143063 RLYCBHYVXKKIGX-NSHDSACASA-N 302.378 3.056 0 40 DGAB Cc1cc(CN2CCN(CC[C@@H](C)c3ccccc3)CC2)on1 97105609 PTMLSVKSJRPBNE-MRXNPFEDSA-N 313.445 3.294 0 40 DGAB O=C(Nc1ccncc1F)N(Cc1ccco1)C[C@H]1CCCO1 97135851 HIMCNXJZWSAASC-CYBMUJFWSA-N 319.336 3.027 0 40 DGAB Cc1ccc(-c2nc(CNc3ccc4nnc(C)n4n3)co2)cc1 75065413 VETGUXUXCNVZAN-UHFFFAOYSA-N 320.356 3.008 0 40 DGAB Cc1ncsc1COC(=O)c1cnn(Cc2ccccc2)c1 75137236 OBPSFZYMIWEUNJ-UHFFFAOYSA-N 313.382 3.053 0 40 DGAB C[C@@H](O)[C@H]1CCCN(Cc2coc(-c3cccc(F)c3)n2)C1 89894293 SBMJQNFOMMSDDD-OCCSQVGLSA-N 304.365 3.074 0 40 DGAB Cc1ccc(SCC(F)(F)F)c(NC(=O)N[C@@H](C)CO)c1 76018211 ZKESURXVMPHYOD-VIFPVBQESA-N 322.352 3.152 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 21915815 OYLDSCQUDSBDLK-INIZCTEOSA-N 312.344 3.132 0 40 DGAB O=C1NC(=O)[C@@H]2[C@H](c3ccccc3)C=C[C@@H](c3ccccc3)[C@@H]12 26955411 URKRCAKITCRYFK-WNRNVDISSA-N 303.361 3.013 0 40 DGAB CN(C)c1ccccc1NC(=O)N[C@@H](CCO)c1cccs1 77674751 OOQWTZJQJVGMKM-ZDUSSCGKSA-N 319.430 3.059 0 40 DGAB COc1c(F)cc(NC(=O)N(C)[C@H](C)CSC)cc1F 77280737 XHGVCYDEVRMILM-MRVPVSSYSA-N 304.362 3.189 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1C 72227863 ZPDUVLYBGIBTJN-HOTGVXAUSA-N 300.789 3.372 0 40 DGAB CN(Cc1ccccc1)Cc1cc(=O)[nH]c(-c2ccccc2)n1 72332241 PBRAQELYLNUUQB-UHFFFAOYSA-N 305.381 3.069 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](C)Cn2nc(C)c(Cl)c2C)o1 32611199 ZWLANMZJNBDHJU-VIFPVBQESA-N 309.797 3.007 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)c1C 36635414 HANZMRYKEVRVBR-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB COC(=O)c1cc(NC(=O)Cc2cccs2)ccc1Cl 31055088 RXZWHBWQKOQHFT-UHFFFAOYSA-N 309.774 3.369 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)OCc2ccccc2)c[nH]c1=O 72217953 MYSPTXHNEVPYDO-INIZCTEOSA-N 312.369 3.157 0 40 DGAB Cc1cccc(N2CCN(C(=O)[C@H](C)OCC(C)C)CC2)c1C 42720560 RGRWRQUGKNXTFF-KRWDZBQOSA-N 318.461 3.013 0 40 DGAB CCCNC(=S)Nc1ccc(Cl)c(C(=O)OCC)c1 225373408 SCBDSSLDKABMRA-UHFFFAOYSA-N 300.811 3.213 0 40 DGAB COc1ccccc1Nc1ccc(N)cc1C(=O)N1CCCC1 225477981 QLOSXSUYVNICAC-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB O=C1CCC[C@@H]1[C@@H]1CCCN1C(=O)Cc1cccc2cccnc12 329258655 YMIPNHCHMFHMOB-SJORKVTESA-N 322.408 3.138 0 40 DGAB CC(C)Oc1cccc(NC(=S)NCc2cccnc2)c1 225332226 FNOYZQRIJNYDSF-UHFFFAOYSA-N 301.415 3.355 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)NC[C@H](C)c1ccccc1 224600486 ICHMLGRFWRSRGJ-LSDHHAIUSA-N 313.397 3.382 0 40 DGAB C[C@@H]1CCSCCN1C(=O)Nc1ccc(C(C)(C)C)nn1 225402622 KEWOOFGNZBZEJW-LLVKDONJSA-N 308.451 3.133 0 40 DGAB CNC(=O)c1ccc(OC)c(COc2cccc(Cl)c2)c1 224141425 ZQQGYLOOFFNXDM-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CCCN(CC(=O)O)C(=O)c1csc(-c2ccccc2C)n1 195541768 LROQFGMRWNEDPX-UHFFFAOYSA-N 318.398 3.055 0 40 DGAB Cc1ncccc1OC[C@@H]1CCCN1Cc1ccc2c[nH]nc2c1 576450445 HICROLSZUFSEQP-KRWDZBQOSA-N 322.412 3.310 0 40 DGAB COC[C@H](NC(=O)c1ccco1)c1cccc(C(F)(F)F)c1 96411035 OIVXNPGNVYHWEY-LBPRGKRZSA-N 313.275 3.416 0 40 DGAB c1cc(CO[C@H]2CCOC3(C2)CN(CC2CCCC2)C3)ccn1 248341310 WFOKXBPAMRPGPC-SFHVURJKSA-N 316.445 3.022 0 40 DGAB C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@@H]1CCCO1 26401351 AHTCBYUTCACEDS-AAEUAGOBSA-N 319.430 3.005 0 40 DGAB Cc1ccc(-n2nc(C(=O)O)c(N(C)C3CCCCC3)n2)cc1 256048337 SHFYOCZBDSFCFR-UHFFFAOYSA-N 314.389 3.043 0 40 DGAB O=C(NCCCc1ccccc1)c1ccnc(OCC2CC2)c1 253403513 QAOLEOKSCWQUFO-UHFFFAOYSA-N 310.397 3.233 0 40 DGAB CNc1nc([C@H]2CCCN(C(=O)C(C)(C)C)C2)cn2cccc12 257272155 NBGZCTGBZALGGQ-ZDUSSCGKSA-N 314.433 3.128 0 40 DGAB O=C(Oc1ccccc1)n1c(-n2cccn2)nc2ccccc21 255190420 XDAOOXMRBJMNTF-UHFFFAOYSA-N 304.309 3.269 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1cccc(Cl)c1Br 719458995 BIOJLTPSINKYCR-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB CCn1c(=O)n(C[C@@H](O)c2ccc(Cl)cc2)c2ccccc21 40050542 BBPMIZWKSOBSCH-MRXNPFEDSA-N 316.788 3.210 0 40 DGAB COc1cc(CNc2cccc(C(=O)O)c2)cc(Cl)c1O 76273779 MYNUHIZGAIKMPZ-UHFFFAOYSA-N 307.733 3.365 0 40 DGAB CCOC(=O)N1c2ccccc2S(=O)(=O)c2ccccc21 41816 DHKCFIVYDMEEST-UHFFFAOYSA-N 303.339 3.127 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2nc(-c3cccnc3Cl)no2)C1 12239383 GRQQYLLOZJIVLI-PHIMTYICSA-N 306.797 3.263 0 40 DGAB COc1cccc(OCC(=O)Nc2nc(CSC)cs2)c1 12287078 URMZLHMANCZVSU-UHFFFAOYSA-N 324.427 3.032 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3cnc(C)cn3)n2)cc1 14376358 OAVANEGXQCVPEY-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB CCOCCOc1cccc(C(=O)Nc2cc(N)ccc2F)c1 19736791 RQLDLFHRTLOXJW-UHFFFAOYSA-N 318.348 3.076 0 40 DGAB CCc1cccc(CC)c1NC(=O)N(C)[C@H](C)C[S@@](C)=O 153537765 IANCKRREXOMWSB-GTJPDFRWSA-N 310.463 3.042 0 40 DGAB COc1cc(NC(=O)CC(C)C)ccc1N1CCCCC1=O 5441499 BKDQDLMLSKJNJO-UHFFFAOYSA-N 304.390 3.197 0 40 DGAB Cc1ccccc1COC(=O)c1ccc(N2C(=O)CCC2=O)cc1 4351850 CRVCCMNBEVESJK-UHFFFAOYSA-N 323.348 3.005 0 40 DGAB COc1ccc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)cc1 1888906477 NFRQXKZQTIFNMC-UHFFFAOYSA-N 324.384 3.288 0 40 DGAB c1ccc(OCCCN2CC[C@H]3CN(c4ccccn4)C[C@@H]32)cc1 1889130396 TWYXCSCIQWYJGK-HKUYNNGSSA-N 323.440 3.061 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@@H]1COc2ccccc21 575951144 ACUKOHUCWDYHPY-LLVKDONJSA-N 317.772 3.255 0 40 DGAB C[C@@H](NC(=O)[C@@H](C)N1CCc2ccccc2C1)c1ccccc1 15480248 YYFDTTFFJBOZHK-HZPDHXFCSA-N 308.425 3.311 0 40 DGAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)s1 40074637 JBHNHRONKFIUDN-JOYOIKCWSA-N 323.801 3.419 0 40 DGAB COc1ccc([C@H](NCc2ccsc2)c2nccn2C)cc1 30651196 QKZIMWYQDJPLLL-INIZCTEOSA-N 313.426 3.369 0 40 DGAB CC(C)[C@H]1Oc2ccc(N)cc2N(Cc2ccc(F)cc2)C1=O 20276423 XXVNCKKUNGTDBG-QGZVFWFLSA-N 314.360 3.358 0 40 DGAB CNC(=O)N(C1=NC[C@@H](C)S1)c1cccc(C(F)(F)F)c1 161691 WOZZNPYRXYJMQQ-MRVPVSSYSA-N 317.336 3.343 0 40 DGAB CC(C)(C)N1C[C@H](C(=O)Nc2ccc(F)c(Cl)c2)CC1=O 21350115 WOYSDTOUDUCEQS-SECBINFHSA-N 312.772 3.065 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1nc2c(F)cc(F)cc2s1 32727215 CBUVIFQGZYQMJK-UHFFFAOYSA-N 323.324 3.361 0 40 DGAB O=C(COC(=O)c1cc(Cl)sc1Cl)NC1CCCC1 21630936 LQFAVFOZUYCBAX-UHFFFAOYSA-N 322.213 3.271 0 40 DGAB COCCCn1cnc2scc(-c3ccccc3)c2c1=O 21790140 ZKHXFPAGTPFVOW-UHFFFAOYSA-N 300.383 3.162 0 40 DGAB O=C(Nc1ccc(-c2nn3cnnc3s2)cc1)c1ccccc1 558322 UFAXYJLUWBSBJV-UHFFFAOYSA-N 321.365 3.105 0 40 DGAB Cc1nc(CN[C@H](c2cccc(F)c2)c2nccn2C)cs1 42204365 KLQMUYQPRZBCMV-OAHLLOKOSA-N 316.405 3.203 0 40 DGAB CCCC(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 324729 MBNWTLZLDLOJFN-CYBMUJFWSA-N 317.364 3.382 0 40 DGAB Cc1ccc(-c2nnc(-c3cn(C)nc3C(F)(F)F)o2)cc1 1402695 LOZZETTVLWQYFT-UHFFFAOYSA-N 308.263 3.464 0 40 DGAB COc1cc2c(c3oc(=O)c4c(c13)CCC4)C(=O)CC(C)(C)O2 2134279 NJHNAYMJAKUUTD-UHFFFAOYSA-N 314.337 3.034 0 40 DGAB biogenic Cc1cnc(NC(=O)COc2cccc3c2OC(C)(C)C3)s1 2639569 RKPYXUIQMMCZBS-UHFFFAOYSA-N 318.398 3.183 0 40 DGAB COc1ccc(C)cc1C(=O)CCC(=O)NC1CCCCC1 3503757 IEILMFNYMYXDPY-UHFFFAOYSA-N 303.402 3.415 0 40 DGAB COc1ccc(CC(=O)Nc2cc(F)ccc2C)cc1OC 3566384 XJPXJDAQOXCMFN-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB C[C@@H]1CCC[C@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 3831614 DWTTZBARDOXEAM-TZMCWYRMSA-N 322.401 3.291 0 40 DGAB endogenous,investigational CC1(C)C[C@H]2C[C@](C)(CN2C(=O)[C@H]2CCCC[C@H]2C(=O)O)C1 5575156 FZSCVNIWMJTNQQ-FLTUCWPJSA-N 307.434 3.305 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CCNC(=O)c1ccccc1Cl 6436431 QUCKVVHRXSAMMN-SWLSCSKDSA-N 322.836 3.155 0 40 DGAB O[C@@H](CNc1ncnc2sc3c(c12)CCC3)c1ccccc1 6625828 YSTWIJMPOVEXOL-ZDUSSCGKSA-N 311.410 3.326 0 40 DGAB CCOc1ccccc1NC(=O)CN1c2ccccc2C[C@H]1C 6820723 KWYJCJSRZNYCDE-CQSZACIVSA-N 310.397 3.475 0 40 DGAB CCc1cccc(C)c1NC(=O)c1cnn(-c2ccccc2)n1 7400926 MZBMCSHQEWXQIO-UHFFFAOYSA-N 306.369 3.390 0 40 DGAB Cc1cc(C)cc(C(=O)OCC(=O)NC2CCCCCC2)c1 7698908 FLNCIEYOQMYNON-UHFFFAOYSA-N 303.402 3.299 0 40 DGAB COc1ccc2nc(NC(=O)c3c(C)noc3C)sc2c1 8395062 XAGRNLZTRWUYSN-UHFFFAOYSA-N 303.343 3.162 0 40 DGAB O=C(NCc1ccccc1)c1cc(Br)ccc1O 11639365 KWNJUGHPZJPADP-UHFFFAOYSA-N 306.159 3.085 0 40 DGAB O=C(NC1CC1)[C@H](Sc1ccccn1)c1ccc(F)cc1 12263258 WOBNEHCKENTHAT-OAHLLOKOSA-N 302.374 3.333 0 40 DGAB O=C(Nc1cccnc1)c1nn(-c2ccccc2)c2c1CCC2 12540372 TXSIYRLPBIMINM-UHFFFAOYSA-N 304.353 3.008 0 40 DGAB Cc1cc2ncn(C[C@H](O)COCc3cccs3)c2cc1C 12593681 VLROSFZSDWYHPJ-AWEZNQCLSA-N 316.426 3.292 0 40 DGAB CCc1ccc([C@H](C)NC(=O)CCNC(=O)c2ccccc2)cc1 12892810 OTXOBCYICLFWKD-HNNXBMFYSA-N 324.424 3.246 0 40 DGAB Cc1ccsc1C(=O)N(CCC(=O)O)Cc1ccccc1 13428949 IXJAPXIYYFZHPW-UHFFFAOYSA-N 303.383 3.174 0 40 DGAB Cc1cccc(CS(=O)(=O)NCCCc2ccccc2)c1 13670582 XUPSOXKNZCJZCT-UHFFFAOYSA-N 303.427 3.047 0 40 DGAB Cc1ccc([C@@H](CNC(=O)c2cccc(Cl)c2)N(C)C)o1 15860145 STLHTJQITRNVDZ-CQSZACIVSA-N 306.793 3.274 0 40 DGAB CC(=O)Nc1c(Br)cc(F)cc1Br 16806062 OXFYKSFPPDVHIK-UHFFFAOYSA-N 310.948 3.309 0 40 DGAB c1ccc(CN2CCO[C@@H](c3nc(-c4ccccc4)no3)C2)cc1 19372256 SUGGAZNMFRPJMF-QGZVFWFLSA-N 321.380 3.310 0 40 DGAB Cc1c(CN2CC[C@H]3NCCCC[C@H]32)c(-c2ccccc2)nn1C 19712464 SUNBZYLQWWCTBD-RTBURBONSA-N 324.472 3.112 0 40 DGAB COc1ccc(-n2c(S)nnc2[C@H](C)N2CCCCC2)cc1 20255370 VRDNVZPPISQHHP-LBPRGKRZSA-N 318.446 3.112 0 40 DGAB C[C@@H](N)[C@H](c1cccs1)N1CCN(c2ccc(F)cc2)CC1 21948396 KKBVMNKYVQAAIK-CXAGYDPISA-N 319.449 3.098 0 40 DGAB NC(=O)c1ccc(C(=O)Nc2ccc(N3CCCCC3)cc2)cc1 23125227 NRDOVIQEZWDHRM-UHFFFAOYSA-N 323.396 3.028 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@@H](c2cccc(F)c2)N(C)C)c1C 25382884 OCHGDGAMFKKZJQ-INIZCTEOSA-N 318.392 3.377 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@@H](C)[C@@H]3C)cc1 26897362 VLHKJWOJQBGFAX-STQMWFEESA-N 317.410 3.278 0 40 DGAB CCc1nnsc1C(=O)N[C@@H](C)c1ccc(SC)cc1 27163300 TVFGQNPDAUXYFJ-VIFPVBQESA-N 307.444 3.313 0 40 DGAB CC(C)C[C@@](O)(CCN1CCOCC1)c1ccc(Cl)cc1 27346185 CUKMDWHAYHTKHO-KRWDZBQOSA-N 311.853 3.296 0 40 DGAB CCOc1ccc(NC(=O)CSc2c(C)n[nH]c2C)cc1 27756442 SGRUDZSGYKFUGQ-UHFFFAOYSA-N 305.403 3.156 0 40 DGAB Cn1cc(CNC(=O)c2cccc(Oc3ccccc3)c2)cn1 27929268 JFSXGTSGLMNFFK-UHFFFAOYSA-N 307.353 3.142 0 40 DGAB Cc1sc2ncn(Cc3nc4ccccc4o3)c(=O)c2c1C 31628098 JONUDTBOIFPOQZ-UHFFFAOYSA-N 311.366 3.264 0 40 DGAB O=C(NCc1ccccc1)c1ccc(-n2cc[nH]c2=S)cc1 32628425 MFRITEZIFWNJAX-UHFFFAOYSA-N 309.394 3.465 0 40 DGAB in-vitro CC(C)=C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1(C)C 32843255 VOGXJNLLDHIONR-MLGOLLRUSA-N 314.385 3.194 0 40 DGAB CCOC(=O)c1cnc2ccc(OC)cc2c1N(CC)CC 34925905 YQRSXRGVNRUCIE-UHFFFAOYSA-N 302.374 3.266 0 40 DGAB CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCC1 38500842 BAYMGVMBYBFIBQ-UHFFFAOYSA-N 317.364 3.036 0 40 DGAB Cc1cc(C)nc(S[C@H](C)C(=O)Nc2nc(C)c(C)s2)n1 39753135 UHOPMVMNMGDCPR-LLVKDONJSA-N 322.459 3.286 0 40 DGAB CCCc1noc([C@@H]2CCCCN2C(=O)c2ccc(C)o2)n1 41123723 SWZCTEXLUXOTPA-LBPRGKRZSA-N 303.362 3.291 0 40 DGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1nccs1 42739059 TVNCMXBNNPPGSJ-CQSZACIVSA-N 316.430 3.102 0 40 DGAB O=C(NCc1cccnc1Oc1cccc(F)c1)N1CCCC1 45999634 DYZBWXOXLBJEER-UHFFFAOYSA-N 315.348 3.318 0 40 DGAB Cc1cnn(CCC(=O)Nc2cc(Cl)c(N)c(Cl)c2)c1 48723285 SASGIWKTTMUHLE-UHFFFAOYSA-N 313.188 3.109 0 40 DGAB CC(C)OC(=O)c1ccc(CS(=O)(=O)c2ccccc2)cc1 51660872 BQZBUBHAVSRRDA-UHFFFAOYSA-N 318.394 3.226 0 40 DGAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@H](c2ccc(F)cc2)C1 51689179 VOKJAWRLFWVYBF-ABAIWWIYSA-N 317.364 3.221 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)c1cc2ccccc2c(=O)[nH]1 53355154 NHUPBJQORMJZSG-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB CCc1nc(CN(C)Cc2ccccc2Br)no1 54315768 ONGVIRKTMPZVTM-UHFFFAOYSA-N 310.195 3.027 0 40 DGAB O=C(NC1CCCCC1)c1ccc(NC(=O)C2CCC2)cc1 56223763 VDETXBNESQMOHU-UHFFFAOYSA-N 300.402 3.488 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(=O)n(CCC)c2)c1 57144635 UXPVEXJDVVRIKR-UHFFFAOYSA-N 314.385 3.299 0 40 DGAB Cc1cccc(Cn2cccc(C(=O)N3CCC[C@@H](C)C3)c2=O)c1 58424656 XCUKILRGAPHYCK-MRXNPFEDSA-N 324.424 3.077 0 40 DGAB CCOc1cccc([C@@H](C)NC(=O)NCc2csc(C)n2)c1 63322994 UQGWHJBQFYKIHX-LLVKDONJSA-N 319.430 3.411 0 40 DGAB Cn1c(Cl)cnc1Cc1nc(-c2ccc(O)cc2O)cs1 63630709 YMLVWQKKMSNHGY-UHFFFAOYSA-N 321.789 3.199 0 40 DGAB CC[C@@H](NC(=O)/C=C/c1ccncc1)c1nc2ccccc2[nH]1 66766789 WUNSLPGITHRNRR-HSBSLETESA-N 306.369 3.239 0 40 DGAB CCc1nc(C)c(-c2c(-c3ccccc3)ncn2CCCO)[nH]1 67784070 NECNCSXWQAYNAW-UHFFFAOYSA-N 310.401 3.193 0 40 DGAB O=C(CCc1ccccc1Cl)N1CCCC[C@H]1C1OCCO1 69513469 FUAAIMBWQKJJNR-HNNXBMFYSA-N 323.820 3.027 0 40 DGAB O=C(c1ccc(Cl)cc1)N1CCC(Nc2cccnc2)CC1 69570419 RCABFGBYZJHING-UHFFFAOYSA-N 315.804 3.452 0 40 DGAB Cn1ccc(C(=O)N(Cc2ccsc2)c2ccccc2)cc1=O 69630027 ZKYSGUMYMXIRKS-UHFFFAOYSA-N 324.405 3.294 0 40 DGAB Cc1occc1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1 69848607 MVUZNBOQRYWIKJ-AWEZNQCLSA-N 301.390 3.385 0 40 DGAB Cc1ccc(C[S@@](=O)CC(=O)Nc2cccc(F)c2)cc1 71801207 LVLWQWPVBSNMRA-NRFANRHFSA-N 305.374 3.022 0 40 DGAB Cc1sc(NC(=O)[C@@H]2C[C@H]2C)c(C(N)=O)c1-c1ccccc1 71854154 CGPTXGFUHMOBIG-BXKDBHETSA-N 314.410 3.417 0 40 DGAB Cc1ccc(CNC(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2)cn1 71884158 BALCHZHXGAPDAZ-HOTGVXAUSA-N 300.789 3.463 0 40 DGAB COCCCN(CCc1ccc(OC)cc1)C(=O)c1ccco1 71908726 LBXNFVOTTLDAQF-UHFFFAOYSA-N 317.385 3.010 0 40 DGAB COc1cccc(NC(=O)N(CCN(C)C)C2CCCC2)c1 72285577 OMASLTPDOYNJCM-UHFFFAOYSA-N 305.422 3.033 0 40 DGAB COC(=O)NCc1ccc(NC(=O)CCc2cccs2)cc1 72287095 JPZJTXPEMOCJFL-UHFFFAOYSA-N 318.398 3.175 0 40 DGAB O=C(C1CC1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362035 DXJNHPGHVUNJOC-OAHLLOKOSA-N 323.396 3.385 0 40 DGAB CC(=O)N1CCC[C@@H](c2cccc(Nc3cccc(C)n3)n2)C1 72375927 ZDZWVBYEYPQUAF-OAHLLOKOSA-N 310.401 3.255 0 40 DGAB COc1cccc(NC2=NC(=O)S/C2=C\c2cnn(C)c2)c1 72401161 PXWKWPCKABHORM-MLPAPPSSSA-N 314.370 3.147 0 40 DGAB CCc1cc(CNC(=O)N[C@@H]2CCc3cc(Cl)ccc32)[nH]n1 76018138 KJINSDBEYMJJKE-OAHLLOKOSA-N 318.808 3.112 0 40 DGAB CC(=O)N(Cc1ccc(NC(=O)Nc2cccnc2)cc1)C1CC1 76774823 XUBNXPJPLIOLSU-UHFFFAOYSA-N 324.384 3.237 0 40 DGAB O=C1c2cc(Cl)ccc2N[C@@H](c2csnn2)N1CC1CC1 77417130 ANHJESHXHGOMEX-CYBMUJFWSA-N 320.805 3.168 0 40 DGAB COc1ccc(NC(=O)/C(C#N)=C\c2ccco2)c(Cl)c1 79044694 XFMWZBXNSIPJKE-YFHOEESVSA-N 302.717 3.487 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2nccs2)s1 80120473 GMKAEVRNDIZTLY-VIFPVBQESA-N 310.448 3.204 0 40 DGAB COc1ccccc1N(C)CCCn1c(=O)oc2ccccc21 83860867 WDTRWQVIMNVENK-UHFFFAOYSA-N 312.369 3.130 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)Cc1n[nH]c2ccccc12 84718200 FOYOAYVJKQTNEO-NSHDSACASA-N 311.410 3.313 0 40 DGAB C[S@@](=O)c1ccc(CN[C@H]2CCCOc3ccccc32)cc1 85308328 BXEZDRILBBZWEV-JTSKRJEESA-N 315.438 3.428 0 40 DGAB c1ccc(OCC2CC2)c(CNC[C@@H]2CCCn3ccnc32)c1 89813990 QSKRNQVEWHAWAB-KRWDZBQOSA-N 311.429 3.339 0 40 DGAB c1nc(N[C@H]2CCO[C@]3(CCSC3)C2)c2ccsc2n1 89885391 VXUJJNPBNNVUJR-IINYFYTJSA-N 307.444 3.158 0 40 DGAB CCOc1ccc(NC(=O)NCCc2ccc(O)cc2)cc1 89991154 QMCNTDARWRZCSO-UHFFFAOYSA-N 300.358 3.155 0 40 DGAB CC(C)c1cccc(NC(=O)CNc2c(F)cccc2CO)c1 95435036 ZXIYACZZERPWKX-UHFFFAOYSA-N 316.376 3.492 0 40 DGAB CCn1ccnc1/C=C/C(=O)N1CCC[C@H]1Cc1ccc(C)cc1 95448436 HTCGKMCXXYIDLK-ZGKFYVQTSA-N 323.440 3.458 0 40 DGAB Cc1ncccc1CN[C@H]1CCO[C@H]1c1ccc(F)c(F)c1 95988579 SDARCUPRKCHXFG-IRXDYDNUSA-N 304.340 3.288 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc(C)cn2)cc1 95990500 MBWMICYTXCITSG-CYBMUJFWSA-N 319.430 3.325 0 40 DGAB CC1(C)[C@H](OC(=O)c2ccco2)C[C@H]1OC(=O)c1ccco1 95997347 HHEXKJOKLFEHTD-CHWSQXEVSA-N 304.298 3.054 0 40 DGAB Cc1ccc2[nH]cc(C(=O)NC[C@@H](O)C3CCCCC3)c2c1 96003055 NRYHXVNVUPQKNB-QGZVFWFLSA-N 300.402 3.147 0 40 DGAB COC(=O)NCc1ccc(NC(=O)c2cc(C)ccc2F)cc1 96409249 AASHRDAXNUEVAP-UHFFFAOYSA-N 316.332 3.242 0 40 DGAB Cc1cc(CSCC(=O)N[C@H](C)Cc2ccccc2C)on1 96433405 ZUTRRWRJDGHOPN-CYBMUJFWSA-N 318.442 3.272 0 40 DGAB CS[C@H]1CC[C@@H](NC(=O)NCc2csc(C(C)C)n2)C1 96439943 NOZIPSWUVDARFY-PWSUYJOCSA-N 313.492 3.350 0 40 DGAB CCc1ccc(-c2ccc(CNC3(CO)CCOCC3)o2)cc1 96443626 WQTPIHZUHDYPCF-UHFFFAOYSA-N 315.413 3.140 0 40 DGAB COC(=O)[C@H](C)S[C@H](C)c1nc(Cc2ccc(F)cc2)no1 96461771 MUBZFQSITACKJI-ZJUUUORDSA-N 324.377 3.155 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ncccc2F)C1 96466752 ZQVHAQRESUZMCV-OLZOCXBDSA-N 323.412 3.350 0 40 DGAB CC(=O)c1ccc(C(=O)O[C@H]([C@@H]2CCCO2)C(F)(F)F)cc1 96485258 ACDQHMJCEMUDSB-QWHCGFSZSA-N 316.275 3.156 0 40 DGAB COCc1noc(-c2cc(Br)cn2C(C)C)n1 97010197 WWMIQGKNZHDFCG-UHFFFAOYSA-N 300.156 3.028 0 40 DGAB CC(C)N(C(=O)Oc1ccc(F)c(F)c1C(=O)O)C(C)C 98175180 GVBZZHQTZAVGCN-UHFFFAOYSA-N 301.289 3.281 0 40 DGAB C[C@]12CCC[C@@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@H]32 101492245 JPYUXOAHWUWNMR-UAKXVISKSA-N 324.207 3.216 0 40 DGAB CNc1c2c(c(O)c3ccccc13)C(=O)N(c1ccccc1)C2=O 104231606 GPZTVJUQUSYSMF-UHFFFAOYSA-N 318.332 3.388 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 105885561 NBLSRBKJSMLYTD-XEZPLFJOSA-N 310.401 3.340 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C[C@@H](O)c1ccccc1 106908246 LHYWQDZDKOKJEQ-HUUCEWRRSA-N 319.836 3.252 0 40 DGAB O=C(Nc1cccc(F)c1)C1[C@H]2CC[C@H]1CN(CC1CC1)C2 107261785 MTFQTFVJYCPKQM-KBPBESRZSA-N 302.393 3.132 0 40 DGAB c1ccc(Cc2nnc(N3CC[C@H]4OCCC[C@H]4C3)s2)cc1 108467873 UVHTZHBLLALPPK-LSDHHAIUSA-N 315.442 3.134 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H](c2nccs2)C1 171646840 CZPFIARFKYBPLN-CYBMUJFWSA-N 319.430 3.087 0 40 DGAB COc1ccc(OCCNC(=O)c2ccc(C)cc2Cl)cc1 192300190 RHTZKCKIVDRAIB-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CSc1nc2ncnc(N[C@H](C)c3ccncc3)c2s1 193368872 YOGHNRNSIAVDPY-MRVPVSSYSA-N 303.416 3.376 0 40 DGAB O=C(CCC(=O)Nc1ccc(Cl)cc1)NCc1cccs1 199422458 BIMFIQBJXIZQHI-UHFFFAOYSA-N 322.817 3.437 0 40 DGAB O=C(COc1ccc(Br)cc1)NCC1=CCCCC1 224240472 KQZYZZWRMHSLOL-UHFFFAOYSA-N 324.218 3.445 0 40 DGAB Cc1ccccc1OCCNC(=O)CCc1nc2ccccc2o1 224948344 YZKOJRUNCCEQGL-UHFFFAOYSA-N 324.380 3.264 0 40 DGAB Nc1cc(CN2CC[C@@H](Cc3ccc(F)c(F)c3)C2)ccn1 225616389 KPXDBTVTHIKKIT-AWEZNQCLSA-N 303.356 3.007 0 40 DGAB O=C(CC1CCCCC1)N[C@H]1CC[C@H](Oc2ncccn2)CC1 252536166 HSLIYMSPBQABGR-WKILWMFISA-N 317.433 3.253 0 40 DGAB COc1ccccc1Cc1cc(C(=O)N(C)C2CCC2)ccn1 257229433 FYCSEHOLSCDBHK-UHFFFAOYSA-N 310.397 3.306 0 40 DGAB CCOc1ccccc1N(Cc1ccccc1F)S(C)(=O)=O 408625993 KDVWGRNRODUMBU-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB CCOC1(c2nc(-c3ccc(CCO)cc3)no2)CCCC1 585120493 QPACHGUHPJJLEY-UHFFFAOYSA-N 302.374 3.077 0 40 DGAB Cc1nocc1Cc1noc(CCCOCc2ccccc2)n1 585120506 RQCZGKCUMCDGKM-UHFFFAOYSA-N 313.357 3.106 0 40 DGAB COc1cc(C(=O)OCc2ccccc2)cnc1Br 642814854 ZVAWZMXWFOHXIY-UHFFFAOYSA-N 322.158 3.210 0 40 DGAB Cc1ccc([C@@H](O)c2ccccn2)cc1NCc1nn(C)cc1C 1560470713 FSYNVKZWVVLRNK-LJQANCHMSA-N 322.412 3.126 0 40 DGAB Cc1ncnc(C(=O)NCc2ccc(Cl)cc2Cl)c1C 1888866302 VLSKCKTYTBCBCR-UHFFFAOYSA-N 310.184 3.330 0 40 DGAB CCOc1ccc([C@@H]2NCCc3cc(OC)c(OC)cc32)cc1 34916 QWYUPEMJGJVOFD-IBGZPJMESA-N 313.397 3.338 0 40 DGAB biogenic O=C(CN1CCCCC1)Nc1ccc(OC(F)(F)Cl)cc1 36400 YUKIFSPZORYSRV-UHFFFAOYSA-N 318.751 3.279 0 40 DGAB COC(=O)C1=C(NC(=O)c2ccc(C(C)(C)C)cc2)CCS1 265382 NWIZGIFSONCWDY-UHFFFAOYSA-N 319.426 3.235 0 40 DGAB Cc1cccnc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 1018715 CVDDOBPIZFCDKN-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB Cc1cccc(C(=O)N(C)c2nnc(-c3cccnc3)s2)c1 1356751 SWAQKVFFFLHYMT-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB COc1cc(/C=C2/N=C(c3cccc(C)c3)OC2=O)ccc1O 1567739 PSUIRIITWUKQGD-NTEUORMPSA-N 309.321 3.054 0 40 DGAB CN(C)c1nc(-c2ccccc2)c(Cc2ccccc2)c(=O)o1 1610044 OPVWXOGWSLUQCI-UHFFFAOYSA-N 306.365 3.359 0 40 DGAB O=C1N[C@@H](c2ccc(O)cc2)Nc2sc3c(c21)CCCC3 2501664 PREXXSUAMALXGI-CQSZACIVSA-N 300.383 3.187 0 40 DGAB O=C1N(c2ccc3c(c2)OCCO3)[C@H](c2ccccc2)C1(F)F 3186230 KBHFGNXRJODQIG-OAHLLOKOSA-N 317.291 3.181 0 40 DGAB COc1ccc(CCC(=O)NCc2ccc(C)cc2)cc1OC 3554384 BRCIUTIJJHVHOA-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB CC(C)(Cl)[C@@H](O)COc1c2occc2cc2ccc(=O)oc12 3594417 VNNTVHKCIBWHDR-NSHDSACASA-N 322.744 3.296 0 40 DGAB biogenic,in-vitro CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1ccccc1 4615079 ZJPJUJAMHLOGRR-INIZCTEOSA-N 318.461 3.416 0 40 DGAB Cc1ccc2nc(CSc3nc(C)cs3)cc(=O)n2c1 5101404 HATBPKXCRCLTMC-UHFFFAOYSA-N 303.412 3.060 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C 5110632 CLOCWBJYHSVCQD-KGYLQXTDSA-N 309.431 3.154 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)cc1)NC1CCCCC1 5439921 JRHFYAVCRFBYSR-UHFFFAOYSA-N 301.390 3.268 0 40 DGAB CCc1ccc([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678336 FZNKVXYWLZXRKA-YGRLFVJLSA-N 301.415 3.444 0 40 DGAB CCOc1ccc(NC(=O)CSCCc2ccccn2)cc1 6728243 DDJDFQHHJJBRIX-UHFFFAOYSA-N 316.426 3.395 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)NC[C@@H]3CCCO3)s2)cc1 6758909 BNQRBXDAQHGFEV-AWEZNQCLSA-N 316.426 3.336 0 40 DGAB C[C@H](NC(=O)[C@@H](C)c1ccc(-c2ccccc2)c(F)c1)C(=O)O 6764328 IEYZXUCCAQCZEZ-RYUDHWBXSA-N 315.344 3.186 0 40 DGAB COC[C@H](C)N[C@@H](C)C(=O)Nc1ccccc1-c1ccccc1 6936866 JYRYQKRUFMXQBK-GJZGRUSLSA-N 312.413 3.305 0 40 DGAB Cc1ccc(Nc2nc(N)nc(COc3ccc(C)cc3)n2)cc1 7255925 JBVVHAFXCJAQTJ-UHFFFAOYSA-N 321.384 3.393 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)N(C)C2CCC(C)CC2)c1 8131720 GUWBQFXDWPSIRW-UHFFFAOYSA-N 309.431 3.088 0 40 DGAB O=C(OCc1ccccc1Cl)[C@H]1COc2ccccc2O1 8282125 QVPWZAYIDKILCX-OAHLLOKOSA-N 304.729 3.223 0 40 DGAB CC1=NN2C(=NC(c3ccco3)=C[C@H]2c2cc(F)cc(F)c2)N1 8739825 JXYCCRRKYDUMGC-AWEZNQCLSA-N 314.295 3.248 0 40 DGAB Cc1c(-c2cc(C(F)F)c3c(C4CC4)nn(C)c3n2)cnn1C 8782460 IWOYISANBIJCJU-UHFFFAOYSA-N 317.343 3.492 0 40 DGAB Cc1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)cc1C 9028812 TUJZDAPWJVJSQE-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@]1(C)O 9692016 TUSGHQTZYMNUON-BBWFWOEESA-N 318.804 3.016 0 40 DGAB COc1ccc(NC(=O)CCc2c(C)nn(C)c2C)cc1Cl 10134621 JKRFAOCEGJSJIV-UHFFFAOYSA-N 321.808 3.270 0 40 DGAB C[C@H](NC(=O)CCC1CCCC1)c1nc(-c2cccnc2)n[nH]1 12114727 LIRBCIODFHDJIU-LBPRGKRZSA-N 313.405 3.014 0 40 DGAB COc1ccc(C(=O)NCc2cc(-c3cccs3)on2)cc1 12235728 GRVOJGWSKLULHZ-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)C(=O)O[C@@H](C)c2ccccc2)c1 12743509 VQNWXGLXSGQUJS-CABCVRRESA-N 311.381 3.418 0 40 DGAB Cc1ccc(C(=O)O)cc1S(=O)(=O)Nc1c(C)cccc1C 13028102 UGAWZOVBRDLZGJ-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB CN(C)C(=O)/C(=C/C=C/c1ccccc1)NC(=O)c1ccccc1 13303390 FTDKOHFWHSQAEH-PQGFFOKXSA-N 320.392 3.102 0 40 DGAB Cc1c(C(=O)N2CCC(C(=O)O)CC2)sc2ccccc12 13425672 SYBUOGWHAMEHFH-UHFFFAOYSA-N 303.383 3.147 0 40 DGAB COc1cc(NC(=O)c2ccco2)c(C(=O)C2CC2)cc1OC 13957451 UKEJMULNQQTTRJ-UHFFFAOYSA-N 315.325 3.142 0 40 DGAB COCCOCCCNC(=O)Nc1ccc(Cl)c(Cl)c1 14236232 RDIFKZOPURBRJR-UHFFFAOYSA-N 321.204 3.168 0 40 DGAB Cc1cccc(NC(=O)CCc2nc(-c3cccnc3)no2)c1C 15669535 UHMQANUYMMCTBL-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB O=C(Nc1ccc2c(c1)OC1(CCCCC1)O2)c1cnccn1 22020993 WHUGAIGTRDWQAT-UHFFFAOYSA-N 311.341 3.161 0 40 DGAB Cc1noc([C@@H](C)Nc2cccc(N3CCCCC3=O)c2)n1 27048947 KSRMHXHNMYLLHW-LLVKDONJSA-N 300.362 3.068 0 40 DGAB Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)c(C)c1C 27587879 DJYMEXNCRAWJOI-UHFFFAOYSA-N 317.454 3.441 0 40 DGAB CC(=O)c1ccc(NC(=O)COc2cccc3cccnc23)cc1 28047717 UDISSWDYCLUCMK-UHFFFAOYSA-N 320.348 3.455 0 40 DGAB O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(Cl)s1 31314105 PRGZUPNXPQTUIY-UHFFFAOYSA-N 321.833 3.327 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)N[C@H](C)c2ccccc2)c1 32477419 ZYAKEUYFDUQYTO-HUUCEWRRSA-N 313.397 3.478 0 40 DGAB Cc1cccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 36635441 COPPXGCQBWZDAL-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccc3nsnc3c2)on1 38488895 ZDQFOLASVKVMRG-UHFFFAOYSA-N 302.359 3.229 0 40 DGAB C[C@@H](NC(=O)c1ccccn1)c1cccc(Br)c1 40069408 XEBPVJHOMPXHKB-SNVBAGLBSA-N 305.175 3.335 0 40 DGAB CC1CCC(NC(=O)c2cn(-c3ccc(Cl)cc3)nn2)CC1 40074811 DTNGLPHVIKBWJZ-UHFFFAOYSA-N 318.808 3.229 0 40 DGAB COc1ccc(CCC(=O)Nc2ccc3[nH]c(C)nc3c2)cc1 40287352 VSWMGOYFBRICCW-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB CN(C)C(=O)CCN1CCc2sccc2[C@H]1c1cccs1 40511229 QAVWJZJYFJLEOB-INIZCTEOSA-N 320.483 3.235 0 40 DGAB NC(=O)c1cc(NC(=O)NC2CCCCCC2)ccc1Cl 40527075 UYVGBUMCSKCYKR-UHFFFAOYSA-N 309.797 3.283 0 40 DGAB O=S(=O)(NC12CC3CC(CC(C3)C1)C2)c1cccc(F)c1 47032193 VBVDNMVDLYQOCZ-UHFFFAOYSA-N 309.406 3.073 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)Nc1ccccc1-n1cccn1 48340854 MJMUJUXDTGTLQG-UHFFFAOYSA-N 322.368 3.242 0 40 DGAB C[C@H](C(=O)N(Cc1ccco1)C1CC1)n1cnc2ccccc21 52470784 DQBBDRKYUISWAP-CYBMUJFWSA-N 309.369 3.382 0 40 DGAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@@H]1c1ccncc1 53029171 OCJOADWKJBTJEF-QZTJIDSGSA-N 321.380 3.263 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2n[nH]c3ccccc23)cc1 53664950 LJARCYNNTQASAN-UHFFFAOYSA-N 308.341 3.164 0 40 DGAB COc1ccc(-c2cc(C(=O)Nc3ccccc3)n[nH]2)c(OC)c1 57412819 CDMPEUCUFGMOOA-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB CCSCCC(=O)N[C@H](C)c1nc(-c2ccccc2)c[nH]1 58194313 WQKHBUYLAAZPHE-GFCCVEGCSA-N 303.431 3.397 0 40 DGAB C[C@H](OCCCNC(=O)c1cccn2ccnc12)c1ccccc1 58217035 OZNPOKCWWPTPIY-HNNXBMFYSA-N 323.396 3.232 0 40 DGAB CCN(CC)[C@@H](CNC(=O)c1c(F)cccc1F)c1ccco1 58316638 RUZGWBGNHFARKF-AWEZNQCLSA-N 322.355 3.371 0 40 DGAB CCCCc1noc([C@@H](C)S(=O)(=O)Cc2cccc(C)c2)n1 63921598 MYIRJKAKVHAISD-CYBMUJFWSA-N 322.430 3.397 0 40 DGAB CCn1cc(NC(=O)/C=C(/c2ccccc2)C(F)(F)F)cn1 68414077 AMRXEZZLCYFDFH-JYRVWZFOSA-N 309.291 3.487 0 40 DGAB Cc1nc(SCCC(=O)Nc2ccc3c(c2)OCO3)oc1C 69517709 CDVKQTHKBRQXQS-UHFFFAOYSA-N 320.370 3.141 0 40 DGAB COc1cccc(NC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1 69769745 NXGNYJWHQYDPAX-BZNIZROVSA-N 318.348 3.078 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nc3ccccc3n2C)n1 70006974 QMOPTFHUUCLQRS-MRXNPFEDSA-N 323.444 3.051 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)C[C@H](C)n2cccc2)c1 71872001 QGJFMZBXJHKHBC-IRXDYDNUSA-N 314.433 3.025 0 40 DGAB COCCCN(C)C(=O)N[C@H](C)c1nc(C(C)(C)C)cs1 71882585 VTTYDKIBDNFUJO-LLVKDONJSA-N 313.467 3.180 0 40 DGAB C[C@H]1Cc2ccccc2[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O 71908585 LJSGVWWXEOHPAY-SGTLLEGYSA-N 318.376 3.191 0 40 DGAB O[C@H](CNc1ncccc1C(F)(F)F)c1ccc(F)cc1 71952735 LMJBDUSCIINKEX-GFCCVEGCSA-N 300.255 3.385 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C[C@H](O)c1ccccc1 72253615 LHYWQDZDKOKJEQ-GJZGRUSLSA-N 319.836 3.252 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cncc(Oc2ccc(F)cc2)n1 72361764 CPKLFFWPHWJFLE-OAHLLOKOSA-N 301.321 3.091 0 40 DGAB CN(C(=O)c1cc([C@H]2CCCN2C)ccn1)C1CCCCC1 72387026 LXBWGPYTBPGOBO-QGZVFWFLSA-N 301.434 3.253 0 40 DGAB COc1cccc2cc(C(=O)NCc3cnn4ccccc34)oc12 75162679 ZNGPWWHOGYNVMC-UHFFFAOYSA-N 321.336 3.019 0 40 DGAB CO[C@H](CNC(=O)c1ccn(C(C)C)n1)c1cccc(Cl)c1 76067245 UWWVBCNOOVZBSA-OAHLLOKOSA-N 321.808 3.235 0 40 DGAB O=C(Nc1nncs1)c1csc(CCc2ccccc2)n1 78553551 FWPZHHUZQJSFDV-UHFFFAOYSA-N 316.411 3.032 0 40 DGAB Cn1cc(CCC(=O)N[C@@H]2CCOC(C)(C)C2)c2ccccc21 79190528 KHNVAPROUJAXEZ-OAHLLOKOSA-N 314.429 3.185 0 40 DGAB biogenic Cc1nc(-c2cccc(NCc3cn(C)nc3C(C)C)c2)n[nH]1 83996426 CSBKBICTLPOXSF-UHFFFAOYSA-N 310.405 3.249 0 40 DGAB C[C@@H](O)c1cccc(OCc2nccn2CC(F)(F)F)c1 84656278 HUZDXTAMGONILQ-SNVBAGLBSA-N 300.280 3.078 0 40 DGAB Cc1cnc(C[S@](=O)Cc2nc(-c3ccsc3)oc2C)o1 85224881 YTTOSCBKVMEXCI-NRFANRHFSA-N 322.411 3.457 0 40 DGAB COC(=O)Cc1c(Br)oc2cc(C)c(F)cc12 85399400 PSNTZQRKQUUBGJ-UHFFFAOYSA-N 301.111 3.358 0 40 DGAB C[C@@H](c1cccc(O)c1)N(C)C(=O)Cc1c(F)cccc1F 89905264 MQDGYQPBOJJBDW-NSHDSACASA-N 305.324 3.433 0 40 DGAB CC(=O)N1CC[C@H](NCc2csc3ccccc23)[C@@H](C)C1 89937666 VHVFHTLSFCAHDU-LRDDRELGSA-N 302.443 3.248 0 40 DGAB CCCn1ccnc1-c1cccc(NC(=O)Cc2ccon2)c1 89960762 XZMZHBUVCFCYMC-UHFFFAOYSA-N 310.357 3.129 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2C(=O)Nc3ccccc32)C1 91302983 HXCXILHDJLTTKB-WFASDCNBSA-N 316.401 3.369 0 40 DGAB in-vitro COc1ccccc1NC(=O)C1CCN(Cc2ccco2)CC1 91918818 KQRMCWMVDNLXLI-UHFFFAOYSA-N 314.385 3.139 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)Cc2ccco2)s1 95409030 HXVMWZQKLVWLMN-JTQLQIEISA-N 307.419 3.210 0 40 DGAB CC(C)CSC[C@H](C)NC1CCN(c2ccccn2)CC1 95420315 QGKLVLKUIUMVTH-HNNXBMFYSA-N 307.507 3.418 0 40 DGAB CCOC[C@H](O)CN1CCCC[C@@H]1c1cc2ccccc2[nH]1 95431929 AEYFRRUMEQUPLU-CRAIPNDOSA-N 302.418 3.092 0 40 DGAB Cn1cc(C(=O)N(CC(C)(C)C)c2ccc(F)cc2)ccc1=O 95449766 PFUBFCURNCWNJZ-UHFFFAOYSA-N 316.376 3.217 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)Nc1ccc2nncn2c1 95458301 RUAZYUGEQWFASL-UHFFFAOYSA-N 321.167 3.217 0 40 DGAB CSc1cc(NC(=O)NC[C@@H](C)c2nccs2)ccn1 95939213 KDEHZCYKFTVAFV-SECBINFHSA-N 308.432 3.185 0 40 DGAB Cc1nc(CNC(=O)N[C@@H]2CCCc3sccc32)cs1 95944848 HYUIBQZMXOWWJK-GFCCVEGCSA-N 307.444 3.390 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N(C2CC2)[C@H](C)c2ccco2)n1 95955417 HBKHADMPBPFLRD-ZIAGYGMSSA-N 301.390 3.406 0 40 DGAB Cc1cc(O)ccc1C(=O)N[C@@H]1CCCN(Cc2ccccc2)C1 95976460 JUFDTJDHCWRHMO-QGZVFWFLSA-N 324.424 3.095 0 40 DGAB CO[C@@H](CNC(=O)NCc1ccc(F)cc1)c1ccccc1C 96105185 AMOVSBQOGAZHKH-KRWDZBQOSA-N 316.376 3.321 0 40 DGAB C[C@H](C(=O)N[C@H](C[S@](C)=O)c1ccccc1)c1cccs1 96445491 MZEUKIYRDDDQQA-DEOKDLAOSA-N 321.467 3.088 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)cc2)cn1 96490910 NBWQWTQOMSLRGK-CVEARBPZSA-N 316.788 3.303 0 40 DGAB CCSc1cccc(NC(=O)NCc2cnn(C)c2C)c1 97022298 KBYPVKVTZRNLSQ-UHFFFAOYSA-N 304.419 3.162 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N(C23CC4C[C@@](C)(C2)C[C@@](C)(C4)C3)C1 100684775 GJVCUKLNXHBNEQ-BVLYKOKCSA-N 319.445 3.147 0 40 DGAB Cc1ccnc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)n1 225175497 PJNZMKGSIOJVRY-JTQLQIEISA-N 306.822 3.486 0 40 DGAB COC(=O)COc1c(Cl)cc(Br)cc1Cl 226241170 OWHVOQVIUVWMFG-UHFFFAOYSA-N 313.962 3.308 0 40 DGAB C[C@H](NC(=O)NC[C@H]1CC[C@H](O)C1)c1ccc2ccccc2c1 230472362 JNWZLSVVTQGOIG-DEYYWGMASA-N 312.413 3.361 0 40 DGAB Cc1ccsc1CN1CC2(C1)OCC[C@H]2COCC1CC1 253599831 VFDQWSAIGWTROP-HNNXBMFYSA-N 307.459 3.074 0 40 DGAB c1ccc2c(CN3CCC[C@@H](Cc4ccn[nH]4)C3)ccnc2c1 257243613 IHUIGLHXQMDUSZ-HNNXBMFYSA-N 306.413 3.413 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H](c2cnccn2)C1 257275698 NQMYBQAMIAJZRG-GOSISDBHSA-N 321.424 3.375 0 40 DGAB Cc1nc(C(=O)N2C[C@H]3CC[C@H](Cc4ccccc4)[C@H]3C2)co1 257302048 SBELHPSYCZKZCQ-BRWVUGGUSA-N 310.397 3.324 0 40 DGAB CNc1cc(Br)cc(I)c1 328578900 ZGAQWLWOPGOGJV-UHFFFAOYSA-N 311.948 3.095 0 40 DGAB CC(C)Oc1cccc(NS(=O)(=O)c2ccc(F)cc2)c1 408629405 ANYKRNNSEVAVRZ-UHFFFAOYSA-N 309.362 3.414 0 40 DGAB O=C1S/C(=C/c2cccc(F)c2)C(=O)N1CN1CCCCC1 408717992 YGVYVISFWOGGIP-GXDHUFHOSA-N 320.389 3.305 0 40 DGAB O=C(NC[C@@H](c1ccco1)n1cccn1)c1cc2ccccc2o1 575614229 PYNMTPKHLCHDIN-AWEZNQCLSA-N 321.336 3.242 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@H]2CCCO2)nc1 580962272 COVVTXSCJBCWNS-CYBMUJFWSA-N 317.316 3.144 0 40 DGAB COC(=O)c1cc(C(F)(F)F)n(Cc2ccc(Cl)cc2)n1 675030736 AILZHKTXFOIJHQ-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB O=C(NC[C@@]1(O)CCCc2sccc21)Nc1cccs1 1889128353 REBXUDXCIUXGLJ-AWEZNQCLSA-N 308.428 3.155 0 40 DGAB CCc1cnc(N2CCN(c3ccc(Cl)cc3)CC2)nc1 2298047868 RUQAGQIHKHWSGY-UHFFFAOYSA-N 302.809 3.019 0 40 DGAB COc1ccc(NC(=O)C2=Cc3cccc(OC)c3OC2)cc1 74601 DAQUNDCGLQWHHN-UHFFFAOYSA-N 311.337 3.118 0 40 DGAB O=Cc1cn(CC(=O)NCCC2=CCCCC2)c2ccccc12 264103 MZJRQHCMAMCPML-UHFFFAOYSA-N 310.397 3.461 0 40 DGAB CCOc1ccc(Cn2c(=O)oc3ccc(C)cc32)cc1OC 386013 QIHMTVARRNRROX-UHFFFAOYSA-N 313.353 3.359 0 40 DGAB CC(C)[C@H]1CS[C@H]2N1C(=O)[C@]2(OCc1ccccc1)C1CC1 1637720 PVAYOPQURUHFJD-KBAYOESNSA-N 317.454 3.292 0 40 DGAB CCN(CC)CC[C@](C(=O)O)(c1ccccc1)C1(O)CCCC1 1646366 IDAQTJVJSKHEHU-LJQANCHMSA-N 319.445 3.046 0 40 DGAB CCc1ccc2c(c1)C(C)(C)[C@]1(/C=C/c3ccco3)NC(=O)CN21 2125033 SOLFLTYRPAWLMI-SQUSKLHYSA-N 322.408 3.479 0 40 DGAB biogenic CC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2F)cc1 3504327 YKUDDVDXJFQNMH-UHFFFAOYSA-N 305.280 3.185 0 40 DGAB Cc1c(F)cccc1NC(=O)CCCCC[C@@H]1NC(=O)N[C@@H]1C 4520559 MGQBHVRGZCUQID-DOMZBBRYSA-N 321.396 3.093 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@@H](C)Sc2ccccn2)cc1 4835281 GTNBMYMKLFOWAX-LLVKDONJSA-N 315.398 3.159 0 40 DGAB C[C@H](Oc1ccc(-c2nnco2)cc1)C(=O)Nc1ccccc1 5208973 VNRTYZZOOJRRDI-LBPRGKRZSA-N 309.325 3.143 0 40 DGAB Cc1ccc(C)c(C(=O)CCN2C(=O)c3ccccc3C2=O)c1 6189504 QUUGJDWEXSEEJG-UHFFFAOYSA-N 307.349 3.172 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCC(=O)NCc1ccc(C)o1 6656807 MPJLMKAPTXFKTB-OAHLLOKOSA-N 322.449 3.317 0 40 DGAB Cc1ccc(C)c([C@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678347 FXRFGCAEQNLUBV-SMDDNHRTSA-N 301.415 3.498 0 40 DGAB Cc1c(C)n(CCN(C)C)c2ncnc(NCc3ccccc3)c12 6755755 PLEMJYZNPXXFSZ-UHFFFAOYSA-N 323.444 3.222 0 40 DGAB C[C@@H](C(=O)NCc1ccccc1)N1CC=C(c2ccccc2)CC1 7417770 CIFYCSZJBZOONA-KRWDZBQOSA-N 320.436 3.481 0 40 DGAB NS(=O)(=O)c1ccc(NC(=O)CCCC2CCCCC2)cc1 8180980 FKHLAMDKSNONKF-UHFFFAOYSA-N 324.446 3.023 0 40 DGAB Cc1c(C(=O)Nc2c(F)cccc2F)cnn1-c1ccccn1 8715145 HTXDVGKVMNCMEB-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB O=C(CCc1cccs1)Nc1ccccc1N1CCOCC1 8720594 HIWOMVQSDKGQPY-UHFFFAOYSA-N 316.426 3.156 0 40 DGAB COc1ccc2c(CC(=O)NOCc3ccccc3)coc2c1 8776619 BPMHYUDUASVLIP-UHFFFAOYSA-N 311.337 3.232 0 40 DGAB CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccccc2C)cc1 9368043 CEVRZSYHTBCQAD-CYBMUJFWSA-N 311.385 3.393 0 40 DGAB COc1ccc(-c2cc(C(=O)O)nn2-c2ccccc2)cc1OC 11801953 CDWNTJIWBLFDOB-UHFFFAOYSA-N 324.336 3.255 0 40 DGAB COc1cc2ncnc(Nc3ccc4cn[nH]c4c3)c2cc1OC 11906202 LWIRLAKBJYFZRR-UHFFFAOYSA-N 321.340 3.267 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@H]2N1Cc1cc2c(cc1C)OCO2 12186502 MKWZFZCAEQLUAH-WMLDXEAASA-N 323.396 3.084 0 40 DGAB CC(C)(Oc1ccc(F)cc1)C(=O)NCc1ccccc1F 12553287 HSWCFBDRJLYKMZ-UHFFFAOYSA-N 305.324 3.439 0 40 DGAB Cn1cc(/C=C/C(=O)Nc2nc3ccc(Cl)cc3s2)cn1 12622574 DFQHTFSZTQDHCU-GORDUTHDSA-N 318.789 3.335 0 40 DGAB C[C@@H](CN[C@H](c1ccc(F)cc1)P(=O)(O)O)c1ccccc1 12998754 BYMKZRBMSWTANU-LRDDRELGSA-N 323.304 3.395 0 40 DGAB O=C1/C(=C\c2ccco2)NC(=S)N1c1cccc(Cl)c1 14230775 BELHPXUSAGHFMP-XYOKQWHBSA-N 304.758 3.195 0 40 DGAB Fc1ccccc1CN1CC[C@@H](c2nc(-c3cccnc3)no2)C1 19348830 VRZXYZGKJRQKQT-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB O=C(Cc1ccccn1)N[C@@H](Cc1cccs1)c1ccccn1 19401270 NFBHPLSODIUZNM-KRWDZBQOSA-N 323.421 3.181 0 40 DGAB CCOc1ccc2c(c1)sc(=S)n2CN1CCOCC1 19593754 JVOJVUARLSGPBN-UHFFFAOYSA-N 310.444 3.121 0 40 DGAB O=C(CCC1CCCC1)N1CCN(Cc2ccc(F)cc2)CC1 19889234 FNCWQIKQYWFNNC-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB COc1ccc(-c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1OC 20345665 IXNIDWAELHBKKR-UHFFFAOYSA-N 316.382 3.286 0 40 DGAB CC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCN(C)C 22515109 MIZAMTAXGMHMDR-AWEZNQCLSA-N 314.882 3.279 0 40 DGAB C[C@@H]1CCCC[C@H]1N(C)S(=O)(=O)c1ccc2c(c1)CCC2 28044306 USHSYEOFUCCNLD-CXAGYDPISA-N 307.459 3.375 0 40 DGAB c1cc(-c2nc(CN3CCC4(CC3)OCCO4)cs2)cs1 28078582 LQDDNDSOEKYENM-UHFFFAOYSA-N 322.455 3.211 0 40 DGAB O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccccc1 31096609 COJXJBCAWNSCOJ-UHFFFAOYSA-N 319.474 3.170 0 40 DGAB Clc1ccccc1N1CCN(CCc2ccncc2)CC1 31554266 GCAHLXLJRNJZCA-UHFFFAOYSA-N 301.821 3.100 0 40 DGAB O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(Cl)cc1 32826233 QLNQMVLCPWVDSR-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB O=C1C[C@@H](c2nc(C3CC3)no2)CN1c1cccc(Cl)c1F 38671084 YJCYTCLBGDPUQR-SECBINFHSA-N 321.739 3.260 0 40 DGAB C[C@@H](Cc1ccc(Br)cc1)NC(=O)c1ccoc1 40108490 VILUEUOIZNXHNL-JTQLQIEISA-N 308.175 3.403 0 40 DGAB Cc1ccc(NC(=O)NCc2ccccn2)c(Br)c1 40526242 KPGONKHCJKGWBY-UHFFFAOYSA-N 320.190 3.474 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(N3CCOC3=O)c2)cc1F 43839811 FJHCIQYCKFSJBR-UHFFFAOYSA-N 314.316 3.343 0 40 DGAB Cn1ncc2c1N=C(O)C[C@H]2c1cc(Cl)cc2c1OCOC2 49546882 LUCGGSRHYDKFML-JTQLQIEISA-N 319.748 3.064 0 40 DGAB O=C(Nc1ccccc1Cl)N[C@H]1CCN(CC(F)(F)F)C1 57985539 GHWFZCLXSHXPTG-VIFPVBQESA-N 321.730 3.098 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1nccs1 58515230 FQQGYSZIPJGCLK-ZDUSSCGKSA-N 317.414 3.391 0 40 DGAB O=C(CC(F)(F)F)NCCc1ccccc1Br 61263615 SUMQFCDCZJTGIF-UHFFFAOYSA-N 310.113 3.060 0 40 DGAB Cc1cc(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)n(C)n1 65627092 SFBDKAHLNSRBIW-GFCCVEGCSA-N 312.295 3.154 0 40 DGAB C[C@@H]1c2ccsc2CCN1Cn1nc(C(C)(C)C)ccc1=O 66792199 KVFUSOSTMLTCAG-GFCCVEGCSA-N 317.458 3.179 0 40 DGAB CCc1nc(CCNC(=O)C2(c3ccccc3)CC2)sc1C 69379372 VIQJWDWTESBVIN-UHFFFAOYSA-N 314.454 3.404 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2-c2ccccc2)c1 69453446 MTYWYQPPLLJYOD-HUUCEWRRSA-N 309.417 3.321 0 40 DGAB Cc1nnc([C@H](C)N(C)CCc2ccc(Br)cc2)o1 69703970 XBQDRRPGFYTJLD-JTQLQIEISA-N 324.222 3.376 0 40 DGAB COc1ccc(Cl)c(-c2cc(C)c3nc(N)nnc3c2)c1 71261363 JFPQJONXEVRXFI-UHFFFAOYSA-N 300.749 3.244 0 40 DGAB CC(C)Sc1ccc([C@@H](C)NC(=O)N2CCC[C@@H](O)C2)cc1 71803459 ZAXJLYLZMSAJRB-UKRRQHHQSA-N 322.474 3.414 0 40 DGAB C[S@](=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 71893541 WSAGWXWRZCKQCO-JOCHJYFZSA-N 313.422 3.484 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H](C(=O)c2ccccc2)COC1(C)C 72208786 OMKKXBHLANHGOC-CYBMUJFWSA-N 305.374 3.241 0 40 DGAB Cc1cc(C(=O)CCCNC(=O)OC(C)(C)C)cnc1S 72218244 ZMYOIPHJEDBXOP-UHFFFAOYSA-N 310.419 3.166 0 40 DGAB Cn1cc(CCC(=O)Nc2cc(C3CCCCCC3)[nH]n2)cn1 72288749 GFDULPZMFLPFJG-UHFFFAOYSA-N 315.421 3.152 0 40 DGAB CC(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)cc1 72290602 KXPFKQSUCAHRGA-SFHVURJKSA-N 324.380 3.110 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)n1 72298965 HLOMIYCLKHKQMG-CYBMUJFWSA-N 319.430 3.005 0 40 DGAB COC(=O)[C@H](NC(=O)c1ccc(C)s1)c1ccc(C)cc1 72305474 YFXZAMWBOBNAMO-CQSZACIVSA-N 303.383 3.009 0 40 DGAB COc1ccccc1NC(=O)N[C@]1(CO)C[C@@H](C)CC(C)(C)C1 72305926 FXBMQTAFYVKRFJ-SCLBCKFNSA-N 320.433 3.394 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(C(=O)c3cscn3)C2)c1 72368621 XNOUZLKYDQLVGS-AWEZNQCLSA-N 316.426 3.383 0 40 DGAB Cc1nnc([C@@H](C)N(C)Cc2csc(Br)c2)o1 72515355 PXDJXXWRCQQONN-SSDOTTSWSA-N 316.224 3.395 0 40 DGAB Cc1cc(=O)c(C(=O)Nc2cnccc2Oc2ccccc2)c[nH]1 73211614 DXRGBAQGOZYNKR-UHFFFAOYSA-N 321.336 3.123 0 40 DGAB O=c1c(C(F)(F)F)cccn1Cc1ccc2ccccc2n1 73528903 VHEYKLPRYRWBRF-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(OC)c(Cl)c2)cc1 74946824 XOPLRBZEAFJWPO-UHFFFAOYSA-N 319.788 3.330 0 40 DGAB CSc1ccc(NC(=O)CCN2CCCC2=O)cc1Cl 75091917 HRRLJLZOUQPSBF-UHFFFAOYSA-N 312.822 3.013 0 40 DGAB O=S(=O)(c1cccs1)N(Cc1ccccc1)CC(F)F 75093740 MGQBNOVSGRNRLS-UHFFFAOYSA-N 317.382 3.204 0 40 DGAB C[C@H]1CCc2c(sc(=O)n2CCCOCC(F)(F)F)C1 76019704 GRPPUCBGSVKGRV-VIFPVBQESA-N 309.353 3.004 0 40 DGAB CC(C)CNC(=O)N1CCC[C@H](CC(=O)Nc2ccsc2)C1 76020890 SMGIXVYCKSXVOH-CYBMUJFWSA-N 323.462 3.154 0 40 DGAB O=C(c1ccc(Cl)nc1)N(C[C@@H]1CCCO1)C1CCCC1 76041015 QJPZSWZRRUPMSR-AWEZNQCLSA-N 308.809 3.299 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)[C@H]2CCCc3ccccc32)no1 76043595 SMMVVFJPDXPZJG-JKSUJKDBSA-N 311.385 3.162 0 40 DGAB CCN(C)c1cccc(NC(=O)NCC(C)(C)C[C@H](C)O)c1 76070302 JSIKSBRFYAUNSA-ZDUSSCGKSA-N 307.438 3.061 0 40 DGAB CN(CCc1cccs1)C(=O)NC[C@H]1CCO[C@H]1C(C)(C)C 76087645 KUSLEZHLHPANJW-UKRRQHHQSA-N 324.490 3.383 0 40 DGAB CC[C@H](C)C(=O)N1CCC(c2n[nH]c(=S)n2C2CC2)CC1 78502726 RUMSOXIKLVKDKG-JTQLQIEISA-N 308.451 3.028 0 40 DGAB COC(=O)c1sc(C)cc1OCc1noc(-c2ccoc2)n1 79097279 DSOUTIBKONKHEE-UHFFFAOYSA-N 320.326 3.065 0 40 DGAB O=C(CCCOc1cccnc1)Nc1ccc(-c2cc[nH]n2)cc1 79478589 FFUNFBPBILKYGM-UHFFFAOYSA-N 322.368 3.269 0 40 DGAB CCOC(=O)c1ccc(CNC(=O)Nc2ccccc2Cl)o1 79772845 PVUKWQRCQADNJS-UHFFFAOYSA-N 322.748 3.431 0 40 DGAB CC(C)N(C(=O)[C@@H]1C[C@@]12CCc1ccccc12)C1CCOCC1 84597225 IVHOORUKUUBSSX-AZUAARDMSA-N 313.441 3.307 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)c2ncncc2Cl)[nH]n1 85516541 OGXYOJHDDSHITO-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB COc1ccc([C@H]2CCCN2c2nc(C3CC3)no2)c(OC)c1 89434799 HDMIYCYKTPCJEG-CQSZACIVSA-N 315.373 3.306 0 40 DGAB Cc1cnc(CCNC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)s1 89702409 PKLWVQTYPHWMAG-XBFCOCLRSA-N 307.463 3.357 0 40 DGAB C[C@H](OC(=O)C=C(C1CC1)C1CC1)c1nc2ccccc2c(=O)[nH]1 89904472 GKZVTJQKPJTHCD-NSHDSACASA-N 324.380 3.274 0 40 DGAB CC[C@H](NCc1cccc(-c2cnn(C)c2)c1)c1cnn(C)c1 90920346 ASTYGFPEHHNYBQ-SFHVURJKSA-N 309.417 3.062 0 40 DGAB OC1CCC(N[C@@H]2CCc3c(Br)cccc32)CC1 91262169 IPARBAZEYLBPPU-QKFMDRJYSA-N 310.235 3.330 0 40 DGAB O=C(OCc1ccsc1)[C@H]1CCCN(CC(F)(F)F)C1 95405023 JQMQIQQZGJKKIN-NSHDSACASA-N 307.337 3.066 0 40 DGAB c1cc(Oc2nccs2)cc(-c2nc([C@H]3CCOC3)no2)c1 95411056 WKPDTKDHAWNJAT-NSHDSACASA-N 315.354 3.489 0 40 DGAB O=c1ccccn1CCCCN[C@@H]1CCCc2sccc21 95421242 YYLROGANQRUIBQ-OAHLLOKOSA-N 302.443 3.357 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@@H]1CCO[C@@H](C)C1 95457850 SBCOCDVQXRFUSF-WCQYABFASA-N 318.392 3.089 0 40 DGAB CCCn1cc(N[C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)cn1 95944508 UQRNXKJBMVDHMG-ZIAGYGMSSA-N 308.426 3.151 0 40 DGAB Cc1ccc(CN2CC[C@@]3(CCN(c4cccnc4)C3=O)C2)cc1 96159507 KQHVBKYZIKLJGD-HXUWFJFHSA-N 321.424 3.019 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N[C@@H](C)c2c(C)noc2C)C1 96440271 ZXAJYKGQXZYNSZ-TVYUQYBPSA-N 311.451 3.326 0 40 DGAB O=C(Nc1ccncc1F)N[C@@H]1CCC[C@H](C(F)(F)F)C1 97135768 QFNSBOXXMNYMHW-DTWKUNHWSA-N 305.275 3.463 0 40 DGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2cccc3ccccc23)[C@H]2C=C[C@H]1C2 100023061 MFZAXXIWMFKGSC-PYTWLRIVSA-N 307.349 3.301 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H](C3=C3CCCC3)[C@H]2C(=O)N1Cc1ccccc1 100070321 LHVNCKKBACCNEW-RWQQGDIJSA-N 319.404 3.474 0 40 DGAB C[C@@H](NC(=O)c1ccccc1-n1cccn1)[C@H]1C[C@H]2CC[C@H]1C2 105668303 XQUQYJXZBKUKAX-WBTNSWJXSA-N 309.413 3.427 0 40 DGAB CN(C[C@@H]1CCCO1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064449 NPKQYXUTEDEBMG-COLVAYQJSA-N 316.228 3.062 0 40 DGAB CCSc1ccc([C@H](C)NC(=O)N[C@@H]2C[C@H]3CC[C@H]2O3)cc1 108105586 ZHDKJNOCEIABIG-KSZJFAHPSA-N 320.458 3.479 0 40 DGAB CC[C@@H](N[C@@H]1CCN(CC(F)(F)F)C1=O)c1ccccc1F 180885360 CPZSNSDNYQBBFN-CHWSQXEVSA-N 318.314 3.030 0 40 DGAB CCN(CC)C(=O)[C@@H](c1ccccc1)[S@@](=O)c1ccoc1C 194638180 LHEKIRLPNSCVGK-ZHRRBRCNSA-N 319.426 3.305 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1cccnc1 225705751 ZVAVVVVSVBJHLM-MRXNPFEDSA-N 313.426 3.454 0 40 DGAB Cc1c(Cl)cccc1N1C(=O)[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]34)[C@H]2C1=O 226254765 CXJSEJWMMXJMDC-WJWBUKISSA-N 313.784 3.206 0 40 DGAB O=C(C[C@H](C(=O)O)N1CCCCC1)c1ccc2c(c1)CCCC2 256027892 IMOMGQDYGQERTJ-QGZVFWFLSA-N 315.413 3.077 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 257206736 BESOIDZPEJDANQ-HNNXBMFYSA-N 322.412 3.148 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(Cc3nccn3C(C)C)C2)c1 257257814 KREOPWRQJAXDTG-HNNXBMFYSA-N 313.449 3.199 0 40 DGAB Cc1ncsc1CCC(=O)N1CCCc2cccc(O)c21 298627078 PVFDPLASVXFKJV-UHFFFAOYSA-N 302.399 3.069 0 40 DGAB COc1ccc(C(=O)[C@@H](Br)CBr)cc1 382704516 RNWDGCOGUHEHIE-VIFPVBQESA-N 321.996 3.036 0 40 DGAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1C 408674402 ZJICZERQTDRPGB-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB O=C(O)c1cc(C(F)(F)F)nn1Cc1ccc(Cl)cc1 408717629 LFZAENMJEQBRIV-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB c1ccc(-c2ncc(CN[C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cn2)cc1 554813287 LGCOZDVNHHVTJK-KSZLIROESA-N 321.424 3.191 0 40 DGAB COC(=O)c1cc(Br)cc(F)c1C(F)(F)F 575712024 CLHIDLUAEPBJKK-UHFFFAOYSA-N 301.033 3.394 0 40 DGAB CS(=O)(=O)C1(CSc2cccc(O)c2)CCCCC1 585119226 YCPQVLMMGWOZSC-UHFFFAOYSA-N 300.445 3.232 0 40 DGAB CCN(Cc1ccc(C(=O)Nc2conc2C)cc1)C(C)C 585130325 MZBZDJWKTVLDTE-UHFFFAOYSA-N 301.390 3.466 0 40 DGAB CC(C)C[C@@](C)(CC(=O)O)C(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 634937662 PVGPXNKEGGTWMW-ZOWXZIJZSA-N 319.392 3.263 0 40 DGAB Cc1cc(C(=O)NCc2cc(-c3cccs3)nn2C)c(C)o1 1775966659 SECHREUTEAINGP-UHFFFAOYSA-N 315.398 3.288 0 40 DGAB O=c1cc[nH]c2c(Br)ccc(OC(F)(F)F)c12 1848350346 OROMQADDCVYDNB-UHFFFAOYSA-N 308.053 3.189 0 40 DGAB Cc1ccc(N2C(=O)[C@H](C)S[C@]23C(=O)Nc2ccccc23)cc1 51774 BILOULZYQSERFU-KPZWWZAWSA-N 324.405 3.268 0 40 DGAB COc1cccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)c1 204753 KTOGWFSKGNVKMK-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB C[C@@]12CC=CC[C@H]1C(=O)N(c1ccc(Br)cc1)C2=O 376811 DZAMMUDSEINOHR-SWLSCSKDSA-N 320.186 3.295 0 40 DGAB Cc1sc(C)c(-c2ccncn2)c1I 480745 XPSFCWFFTFNUSJ-UHFFFAOYSA-N 316.167 3.427 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1cc(Cl)ccc1Cl 809516 OOAQCLIRUNHZFB-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB COc1cc(N)cc2sc(NC(=O)C3CCCCC3)nc12 911963 JJOKODLGRLKLMU-UHFFFAOYSA-N 305.403 3.406 0 40 DGAB Cc1ccc(NC(=O)COC(=O)/C=C/c2cccs2)cc1 1288156 MARUFIZLSFOBIF-CMDGGOBGSA-N 301.367 3.252 0 40 DGAB NC(=O)[C@@H](c1ccccc1)c1ncc(C(F)(F)F)cc1Cl 1385421 JVFWLCIVAGKGRU-NSHDSACASA-N 314.694 3.371 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2cccnc2Cl)cc1 3489652 VXOACUFKXDJDNA-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB O=C(O)C=C1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 4002003 VYKMQAXIWKQFHS-UHFFFAOYSA-N 320.698 3.365 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)CCc1ccccc1 4135095 QPQMSKWAXKYODM-UHFFFAOYSA-N 308.337 3.103 0 40 DGAB CCC(CC)NC(=O)CSc1nc2ccccc2n1CC 4484468 YLIKEFBXBXSVCO-UHFFFAOYSA-N 305.447 3.453 0 40 DGAB CCCCN1C(=O)[C@](O)(CC(=O)C(C)(C)C)c2ccccc21 4554967 JQUDIMFSSGMKDZ-SFHVURJKSA-N 303.402 3.026 0 40 DGAB CCOc1cc(S(=O)(=O)N[C@@H](C)c2ccccc2)ccc1F 5235070 NKUUCXGGTBZOMQ-LBPRGKRZSA-N 323.389 3.264 0 40 DGAB CCc1c(C)sc(NC(=O)/C=C/c2ccccc2)c1C(N)=O 5477123 KYDBFLQTUMUVRB-MDZDMXLPSA-N 314.410 3.370 0 40 DGAB CNC(=O)CSc1nc2ccccc2n1-c1ccc(C)cc1 6315200 LZTIEVSVVJOPCD-UHFFFAOYSA-N 311.410 3.172 0 40 DGAB CCCCc1nnc2sc(NC(=O)c3cccc(C)c3)nn12 6818099 XJJGUAMMHQNBTG-UHFFFAOYSA-N 315.402 3.089 0 40 DGAB CC1CCC2(CC1)N=C(c1ccc(Br)cc1)C(=O)N2 6818775 LESJJFMWPMAXIS-UHFFFAOYSA-N 321.218 3.274 0 40 DGAB O=C(CSc1ccc(-c2ccccn2)nn1)Nc1ccccc1 6859337 IAXNIMQCFSSWLD-UHFFFAOYSA-N 322.393 3.269 0 40 DGAB O=C(COC(=O)Cc1ccccc1Cl)Nc1ccccc1 7535602 UYDMQHYGAAVULN-UHFFFAOYSA-N 303.745 3.064 0 40 DGAB COc1ccc(NC(=O)c2cc(-c3cccc(C)c3O)[nH]n2)cc1 8995249 QABGGJJNTOBNPY-UHFFFAOYSA-N 323.352 3.352 0 40 DGAB Cc1cccc(N2CCN(C(=O)Nc3ccccc3F)CC2)c1 9157366 JMFXCFKYRZSMEJ-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCC1)c1cccc(Cl)c1 9184509 PKUZRARTCUMREH-OAHLLOKOSA-N 318.804 3.500 0 40 DGAB Cc1cc(C(=O)NOCc2ccccc2)c2cnn(C(C)C)c2n1 10966385 GQMDNEZYMFSEQT-UHFFFAOYSA-N 324.384 3.182 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)s1 12531005 NWIXBRIQCBKOQW-OAHLLOKOSA-N 311.410 3.309 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccc(O)cc2)N1C[C@@H]1CCCO1 12553301 XKKZNDLNGISTSS-MAUKXSAKSA-N 324.380 3.138 0 40 DGAB O=c1[nH]c2ccc(-c3csc(N4CCCCC4)n3)cc2o1 12755217 QZZSQBPBIMIBAN-UHFFFAOYSA-N 301.371 3.235 0 40 DGAB O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1ccc(Cl)cc1 12776313 YTYPSJCVNIUSQP-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CS[C@]2(C)CCC(=O)N12 12924486 YOMHHLRKIVSOOT-SWLSCSKDSA-N 324.833 3.041 0 40 DGAB CSc1cccc(NC(=O)CCNC(=O)c2cccs2)c1 12976962 AYDGWMHARGXZLV-UHFFFAOYSA-N 320.439 3.229 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)NC1CCC(O)CC1 16385410 IYPRKXUCGZIWBD-UHFFFAOYSA-N 303.189 3.418 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 17053405 VVTYZBMMOYMALJ-NGDQCBGXSA-N 315.413 3.173 0 40 DGAB COc1cccc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20141384 SKJJOTUQUNIOHU-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB CC(C)CC[C@H](CCNCCN(C)C)c1ccc2c(c1)OCO2 20533170 AEEKWZABLTYSCB-MRXNPFEDSA-N 320.477 3.476 0 40 DGAB O=C(c1cccs1)N1CCC(C(=O)N2CCCCCC2)CC1 20612621 LJIMLXGKUDZZEA-UHFFFAOYSA-N 320.458 3.003 0 40 DGAB COc1ccc(C(=O)N2CCc3[nH]c4ccccc4c3C2)c(O)c1 21469021 PCMAGFASIUUMPR-UHFFFAOYSA-N 322.364 3.081 0 40 DGAB Cc1cc2nc(NC(N)=S)sc2cc1Br 22125096 WEMDUBIBAYZCKT-UHFFFAOYSA-N 302.222 3.023 0 40 DGAB O=C(Cc1csc(-c2ccccc2)n1)Nc1ncccc1O 22261799 ZJVRITNRRFQAAN-UHFFFAOYSA-N 311.366 3.092 0 40 DGAB C[C@@H](NC(=O)Cn1cnc2cc(F)c(F)cc21)c1cccs1 24427770 UGURTDXKRJQUBP-SECBINFHSA-N 321.352 3.253 0 40 DGAB COc1ccc(NC(=O)c2cccc(Nc3ncccn3)c2)cc1 24485568 HEFFTMWYCDHJDH-UHFFFAOYSA-N 320.352 3.481 0 40 DGAB COC(=O)c1cc(NC(=O)Cc2ccccc2F)ccc1Cl 26880172 USIBULVPOWKHNB-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB Cc1ccc(-c2nnc(NC(=O)CCc3cccs3)[nH]2)cc1 28855360 CNJFNSKUTVFXSY-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCCc1cc(C(=O)N2CCC(C(=O)OC)CC2)sc1C 35161213 KBKCEUKQTJQUGC-UHFFFAOYSA-N 309.431 3.034 0 40 DGAB O=c1[nH]c(CN2CC=C(c3ccccc3)CC2)nc2ccsc12 35360281 SZKRQMIPAOADSY-UHFFFAOYSA-N 323.421 3.274 0 40 DGAB COc1ccc(NC(=O)N[C@@H](Cn2ccnc2)C(C)(C)C)cc1 36392248 CCJDKVQGKQNHGC-HNNXBMFYSA-N 316.405 3.128 0 40 DGAB CC(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)s1 40108253 OAUDDEDJQSCFFI-YPMHNXCESA-N 309.431 3.276 0 40 DGAB NC(=O)c1cccc2c1CCCN2C(=O)CCCc1ccccc1 40548695 QLBDBIXBHRXPCY-UHFFFAOYSA-N 322.408 3.088 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)Nc1ccncc1 43136981 RPBMLBNJRYPJNO-HNNXBMFYSA-N 314.389 3.023 0 40 DGAB COc1cc(F)ccc1NC(=O)NC1CCN(CC(C)C)CC1 44234161 VMMULGVVNIUZHH-UHFFFAOYSA-N 323.412 3.076 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2Cl)o1 44297327 ZLUMYQBBIPKCRF-UHFFFAOYSA-N 317.769 3.201 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCc2ccc(F)c(C)c2)on1 44967388 MRWRRMSYTAPHGU-HNNXBMFYSA-N 317.364 3.477 0 40 DGAB CCOc1ccccc1NC(=O)[C@H](C)N(C)Cc1cscn1 48309299 LLLUXPQGEMEKHK-LBPRGKRZSA-N 319.430 3.001 0 40 DGAB Cc1ccc(C)c(N(C)Cc2cc(=O)n3cc(C)ccc3n2)c1 54273098 PMKFBCNQUDISMU-UHFFFAOYSA-N 307.397 3.256 0 40 DGAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccccn1)C3 57121083 ACOOLDLLNMLYLG-UHFFFAOYSA-N 322.364 3.103 0 40 DGAB Cc1cnc(C(=O)Nc2nc(-c3cc(C)oc3C)cs2)cn1 58139720 NRFOKLKUHGKQHL-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB CCc1nc(CN[C@@H](c2ccccc2)c2nccn2C)cs1 58227702 GAJKNZFPJFGHLZ-INIZCTEOSA-N 312.442 3.318 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@H](c1cccs1)C(C)C 58394072 AUEWRWQDQCBATJ-HNNXBMFYSA-N 306.479 3.343 0 40 DGAB C[C@H](c1ccccn1)N(C)C(=O)c1cc(-c2ccccc2)[nH]n1 68269209 KLYASIRPRGKAGN-CYBMUJFWSA-N 306.369 3.305 0 40 DGAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccccn1 69561933 WZKUGCNXKLDIAY-UHFFFAOYSA-N 322.767 3.163 0 40 DGAB CNC(=O)c1ccc(CN(C)C(=O)C[C@H]2CCC[C@@H](C)C2)cc1 69982987 BLBMIHQPJITENB-ZBFHGGJFSA-N 316.445 3.221 0 40 DGAB Cc1cccc(-c2noc(CN3CCC[C@H]3c3cnn(C)c3)n2)c1 71797208 YKMKOILMNSDVSV-INIZCTEOSA-N 323.400 3.116 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)CC2(C(=O)O)CCCC2)cc1 71808767 VVPGCLZLDAUEHR-UHFFFAOYSA-N 318.373 3.009 0 40 DGAB COc1ccc(N(C(=O)Cn2nc(C)cc2C)C(C)C)cc1F 71853721 RMOOCPMYLKOULN-UHFFFAOYSA-N 319.380 3.089 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2c(F)cccc2Cl)c1 71869766 LGLRMHYAUHFJPK-LBPRGKRZSA-N 321.783 3.289 0 40 DGAB CCSCCC(=O)NC1CCN([C@@H](C)c2ccccc2)CC1 71909301 AFGNPFJFVDXKPN-HNNXBMFYSA-N 320.502 3.471 0 40 DGAB CCCCN1CCCC[C@H]1c1cccnc1N1CCN(C)CC1 72216607 VPRYVECOXSEGBR-SFHVURJKSA-N 316.493 3.161 0 40 DGAB C[C@H]1CN(Cc2c(C(C)(C)C)[nH]c3ncccc23)C[C@@H](C)O1 72393636 LSQWDHBMIYNWHR-BETUJISGSA-N 301.434 3.470 0 40 DGAB CCSc1ccccc1C(=O)NC[C@@](C)(O)c1cccs1 75155878 BXEAAJHEFSGLRV-MRXNPFEDSA-N 321.467 3.498 0 40 DGAB O=C(C1CCCC1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76060462 FDXBDLUITMPKJL-LLVKDONJSA-N 315.339 3.325 0 40 DGAB c1ccc(-n2ncc3c2N=C(N2CCCCCCC2)NC3)cc1 78822833 OJEWUKFIEBEDMD-UHFFFAOYSA-N 309.417 3.229 0 40 DGAB Cc1nc(C)c(CNCC(C)(C)NC(=O)OC(C)(C)C)s1 83475268 JNVHCEDIPDIUFM-UHFFFAOYSA-N 313.467 3.153 0 40 DGAB Cc1nc2ccc(NC(=O)NCC(C)(C)C[C@@H](C)O)cc2o1 89729867 XFBAAZLEKYVENG-SNVBAGLBSA-N 305.378 3.055 0 40 DGAB C[C@@]1(CNC(=O)N[C@H](CCCO)c2ccccc2)CCCS1 89919367 HHJWQORQLWRNKD-WBVHZDCISA-N 322.474 3.085 0 40 DGAB CCc1ccc([C@H](C)N[C@H]2CCCN(CC(F)(F)F)C2=O)o1 90592006 KEBNSYZITHNRKC-JQWIXIFHSA-N 318.339 3.046 0 40 DGAB CC(=O)N1CCC(CCN[C@@H](c2ccccc2)C2CC2)CC1 91369555 HNYRWLUBFOZVGR-IBGZPJMESA-N 300.446 3.376 0 40 DGAB COc1cccc(CN2CCC[C@@H](N3CCCC3)CC2)c1OC 93563922 GMNJVVRMSPSEDT-QGZVFWFLSA-N 318.461 3.154 0 40 DGAB CN(Cc1ccc(OC[C@H]2CCCO2)cc1)Cc1nccs1 93792513 FKUCUFQWVLEXRA-MRXNPFEDSA-N 318.442 3.333 0 40 DGAB O=Cc1ccc(Br)cc1N1CCCC(F)(F)C1 95081333 IHYYYZMKSQKZHE-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB CC(C)Sc1ccccc1NCC(=O)NCC(F)(F)F 95414919 UYAGTEDWTZRLMF-UHFFFAOYSA-N 306.353 3.278 0 40 DGAB CC(C)[C@H]1CCCN(C(=O)c2[nH]ncc2Br)CC1 95959781 AJTPAFFPMWWQKV-JTQLQIEISA-N 314.227 3.071 0 40 DGAB O=S(=O)(C1=Cc2ccccc2CC1)N1C[C@@H]2CC=CC[C@H]2C1 95961881 UWKONTTXQKPXGU-IRXDYDNUSA-N 315.438 3.202 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)C2CCC(F)(F)CC2)cc1F 95979422 MCGQRDQPYPXSRW-NRFANRHFSA-N 319.348 3.327 0 40 DGAB CC(C)N(C)[C@H]1c2ccccc2[C@@H]2CN(c3ncccn3)C[C@@H]21 96251697 PLKQPCIXWDEQRD-BZSNNMDCSA-N 308.429 3.092 0 40 DGAB CC(=O)N1CCCN(Cc2cc(Cl)ccc2Cl)CC1 96424141 HUQPTBHTIXUSKS-UHFFFAOYSA-N 301.217 3.048 0 40 DGAB COC[C@H]1CCN(C(=O)c2sc3ccc(OC)cc3c2C)C1 96426567 GXFPDMYVQMDCNF-LBPRGKRZSA-N 319.426 3.327 0 40 DGAB CCc1cc(NC(=O)N[C@H](c2ncc(C)s2)C2CC2)n(C)n1 96434940 SSZDUCHGRMEJGZ-ZDUSSCGKSA-N 319.434 3.020 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1C[C@]12CCc1ccccc12 96441058 CJTJVZXDASUAEY-QUCCMNQESA-N 323.440 3.061 0 40 DGAB C[C@@H](CN[C@@H](C)c1cccc(Cl)c1Cl)CS(C)(=O)=O 96491891 LSIARAVUBVWMJE-UWVGGRQHSA-N 324.273 3.325 0 40 DGAB COc1ccccc1C[C@@H](C)Nc1ccc2c(c1)oc(=O)n2C 97232266 JNKQZVWXWGKLCP-GFCCVEGCSA-N 312.369 3.183 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(OC)c2)C1=O 101275910 YKHAUODOXJCYQX-KRWDZBQOSA-N 324.380 3.002 0 40 DGAB CC[C@H](c1ccccc1)[S@](=O)[C@H](C)C(=O)N1CCCCC1 108102842 DTIDHCGTHAZFGR-NVAPDCRFSA-N 307.459 3.287 0 40 DGAB C[C@H](Sc1nnc(COc2ccccc2)n1C)C(F)(F)F 157492941 YSNYFJHELDYLDU-VIFPVBQESA-N 317.336 3.437 0 40 DGAB O=C(Nc1ccccc1-c1cn2ccccc2n1)[C@H]1CCCO1 206896956 NXLSUGWLXFYJKC-MRXNPFEDSA-N 307.353 3.119 0 40 DGAB COc1ccc([C@@H]2CCCCN(C(=O)C3CCOCC3)C2)cc1 208004208 SCGFDKVZJXUANW-QGZVFWFLSA-N 317.429 3.218 0 40 DGAB CCNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)CC 223337338 MVJHRGAPRQPLCT-LJQANCHMSA-N 324.424 3.303 0 40 DGAB CCOc1ccc(C(=O)NCCc2ccccc2)cc1COC 224682623 FFIPLQYISJQSRO-UHFFFAOYSA-N 313.397 3.204 0 40 DGAB CCOc1ccc(C(=O)N2CCCC2)cc1COCC(C)C 224740096 WCBOPMXWRLOTAF-UHFFFAOYSA-N 305.418 3.494 0 40 DGAB CCOc1ccccc1Nc1ccc(C(=O)NC2CC2)cc1N 225431218 DKCUSPKSBWESDE-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB Cc1cnccc1C(=O)OCc1nc(C(F)(F)F)cs1 225468078 YVIGUZSLRLEHNB-UHFFFAOYSA-N 302.277 3.222 0 40 DGAB COc1ccc(NC(=S)N[C@H](C)c2ccc(C)cc2)cn1 225471177 HXKZTFOYEFIQSG-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB COCCOc1ccc(NC(=O)C2(OC)CCCCCC2)cc1 225631789 VQKMDWHPMAFLTK-UHFFFAOYSA-N 321.417 3.390 0 40 DGAB COc1cc(NC(=O)C2CCCCC2)cc2sc(N)nc12 226312575 AHXGIBZNJHKQRA-UHFFFAOYSA-N 305.403 3.406 0 40 DGAB CC[S@](=O)[C@@H]1CCC[C@@H](N[C@H]2CCc3ccccc3C2)C1 252485825 AUFAZGJAZBFXIX-IIMDRIAPSA-N 305.487 3.213 0 40 DGAB Cc1cccc(C[C@H]2CCCN(C(=O)Cc3ccsc3)C2)n1 257234902 GVNVAPCSQFDAES-OAHLLOKOSA-N 314.454 3.475 0 40 DGAB COC(=O)c1cc(-c2cc(F)cc(Br)c2)on1 260166692 JHFGEIVSPKDAOM-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB COc1cccc(C(=O)Oc2ccc(-c3ccccc3)nn2)c1 408530928 SMKJNBIFOUNTDP-UHFFFAOYSA-N 306.321 3.371 0 40 DGAB CCCOCc1c(I)cnn1CC(C)C 408717354 YTEDKZOEAOCIAU-UHFFFAOYSA-N 322.190 3.070 0 40 DGAB CC(C)(C)c1ncc(/C=C/c2ncc(/C=C/C(=O)O)s2)cn1 585087278 CKQGRWMCRPJEKB-YDFGWWAZSA-N 315.398 3.499 0 40 DGAB c1cc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)cs1 585103211 RZYUULOGCZSXKJ-MRXNPFEDSA-N 307.459 3.156 0 40 DGAB Cc1noc(-c2ccc(NC(=O)NCCc3ccccc3)cc2)n1 585208563 LMYQLBFUBWOFBL-UHFFFAOYSA-N 322.368 3.409 0 40 DGAB Cc1nc2ccccc2n1C1CN(c2ncnc3ccsc23)C1 1775974432 RICXDXHJYFZVIN-UHFFFAOYSA-N 321.409 3.411 0 40 DGAB Cn1nccc1-c1ccc(CCNC(=O)c2cccs2)cc1 1889201560 FZEBEXACZRLWAI-UHFFFAOYSA-N 311.410 3.121 0 40 DGAB COc1ccc(N2C(=O)[C@@H](Cc3ccc(C)cc3)[C@@H](C)C2=O)cc1 259406 VBULHFYJIXMMEF-KDOFPFPSSA-N 323.392 3.372 0 40 DGAB C[C@@H]1CCC[C@H](N2CCN(C(=O)c3ccccc3F)CC2)C1 783017 OSVKRSHERBDJFS-CABCVRRESA-N 304.409 3.162 0 40 DGAB CCCc1nnc(NC(=O)c2ccc(SC)cc2OC)s1 815582 IYLUPUZYBKNNHM-UHFFFAOYSA-N 323.443 3.473 0 40 DGAB Cc1cc(/C=C2/SC(=O)N(C)C2=O)c(C)n1-c1ccncc1 1008106 JGBVCDVKBOAHLX-NTEUORMPSA-N 313.382 3.155 0 40 DGAB CCOc1ccc(N2C(=O)CN=C2Nc2cccc(C)c2)cc1 1360526 LXUMCANMVHWHAF-UHFFFAOYSA-N 309.369 3.208 0 40 DGAB O=C(NCCc1nc(-c2ccccc2)cs1)C(F)(F)F 1415121 FIMCJZIMBCWVJC-UHFFFAOYSA-N 300.305 3.031 0 40 DGAB CCOC(=O)c1ccc(N2C(=S)NC(C)(C)C=C2C)cc1 1514694 MMHZTYLIOUTUCS-UHFFFAOYSA-N 304.415 3.240 0 40 DGAB COc1ccccc1[C@@H]1OC2=Nc3cc(C)c(C)cc3N[C@H]2C1=O 1588492 SRDLUXISUFLKDM-WMZOPIPTSA-N 322.364 3.477 0 40 DGAB COc1ccc(-n2nnnc2-c2cnc3ccccc3c2C)cc1 2559183 YADLEBBAWQJSKL-UHFFFAOYSA-N 317.352 3.195 0 40 DGAB C[C@H](NC(=O)C(=O)NCCCCc1ccccc1)c1ccccc1 3127146 FXVYCLCPJUBEBQ-INIZCTEOSA-N 324.424 3.003 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Sc2nnc(C)s2)cc1 3389037 HMWUCNJMMADGGE-VIFPVBQESA-N 321.427 3.168 0 40 DGAB COc1ccc(OC)c(/C=C/C(=O)N2CCc3ccccc32)c1 3561126 AHNBHXTYJCMUDQ-JXMROGBWSA-N 309.365 3.306 0 40 DGAB ClC1(Cl)C[C@@H]1CSc1nnc(-c2ccncc2)o1 4475485 JOJBOSNOBUFLIB-MRVPVSSYSA-N 302.186 3.418 0 40 DGAB Cc1ccc(NC(=O)Cn2sc3cc(F)ccc3c2=O)cc1 4751510 QGDYTEPDIOANSK-UHFFFAOYSA-N 316.357 3.149 0 40 DGAB COc1cccc(CNc2ncn[nH]2)c1OCc1ccc(C)cc1 4999797 FLQDCOKAXNCAKW-UHFFFAOYSA-N 324.384 3.313 0 40 DGAB COc1ccc2[nH]c(C)c(C(=O)CN3CCC(C)CC3)c2c1 5034239 CXCWLFFQNLAXLC-UHFFFAOYSA-N 300.402 3.400 0 40 DGAB O=C(NCCC1=CSC2=NCCN12)c1ccc2ccccc2c1 5482920 GCMXLVPRPXKGRR-UHFFFAOYSA-N 323.421 3.220 0 40 DGAB COc1ccc(CN(C)C(=O)/C=C/c2cccs2)c(OC)c1 6601536 HSDZJIYBIYIANK-CMDGGOBGSA-N 317.410 3.437 0 40 DGAB CN(CC(=O)NC12CC3CC(CC(C3)C1)C2)Cc1ccccc1 7141063 VXLGDQDGDHTHER-UHFFFAOYSA-N 312.457 3.203 0 40 DGAB CC(C)CNC(=O)[C@H](C)Sc1nccn1-c1cccc(F)c1 7178210 ATCHYYAOGXPAEO-LBPRGKRZSA-N 321.421 3.264 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)c3ccc(OC)cc3)ccc21 9134165 GAQNIKLZOHWQEX-UHFFFAOYSA-N 324.380 3.247 0 40 DGAB Cc1ccc(C(=O)NCCc2cnn(-c3ccccc3)c2)cc1F 11532318 SXKLOFKHBKJODA-UHFFFAOYSA-N 323.371 3.292 0 40 DGAB CCn1ccc(C(=O)Nc2nc3cc(C)cc(C)c3s2)n1 11738202 TZDJMIBNIRZMNE-UHFFFAOYSA-N 300.387 3.382 0 40 DGAB O=C(c1nccs1)C1CCN(C(=O)CC2CCCC2)CC1 12157155 KJGWWXRKSRIRMH-UHFFFAOYSA-N 306.431 3.145 0 40 DGAB CC(C)c1ccccc1NC(=O)c1ccccc1-n1cnnn1 12391397 ILHLHFSZZGIZDL-UHFFFAOYSA-N 307.357 3.038 0 40 DGAB CC[C@@H](C)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12929251 MEMTVIJXZMCZBY-VQCYPWCPSA-N 322.459 3.043 0 40 DGAB C[C@@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1cccs1 14043449 OVODTZQSPHSFJX-CYBMUJFWSA-N 311.410 3.484 0 40 DGAB Cc1cnc(NC(=O)Cc2csc(-c3ccccn3)n2)s1 14136938 MVHJSFOYKZHXBX-UHFFFAOYSA-N 316.411 3.151 0 40 DGAB O=C(c1ccc(-c2ccc3c(c2)OCCO3)s1)N1CCCC1 14201137 OZMODERDUMOFSX-UHFFFAOYSA-N 315.394 3.422 0 40 DGAB CC(=O)c1ccc(OCC(=O)NCCC2=CCCCC2)cc1 14238343 VOYUKOYGEBMQJI-UHFFFAOYSA-N 301.386 3.275 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 14302559 NHZSPEBNWKFGLF-PWSUYJOCSA-N 316.323 3.331 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1cccc(C2OCCCO2)c1 17167313 ICFKNRHMEIJIIP-UHFFFAOYSA-N 315.344 3.442 0 40 DGAB O=S(=O)(c1ccc(NC2CCCCCC2)nc1)N1CCCC1 24923277 KAKLROHKQDKMDA-UHFFFAOYSA-N 323.462 3.001 0 40 DGAB CS(=O)(=O)c1ccc(F)c(NCc2ccccc2Cl)c1 26790170 NYQYKTREJQTBHE-UHFFFAOYSA-N 313.781 3.495 0 40 DGAB COc1cc(Cl)c(C)cc1NCC(=O)NCc1cccs1 30290825 ZKHRVMMWMDIWRI-UHFFFAOYSA-N 324.833 3.447 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H](C)n2cc(Br)cn2)c1 32611622 CJMLGNLEHZEBGL-LLVKDONJSA-N 322.206 3.462 0 40 DGAB Cc1cccc(-c2nc(CN3CCC[C@@H](C(=O)O)C3)c(C)o2)c1 32917374 DRYWRZABMNBJLD-OAHLLOKOSA-N 314.385 3.255 0 40 DGAB C[C@@H](CNC(=O)Cc1ccccc1F)N(C)c1ccccc1 32931211 ANDBFBYRSOYKSR-AWEZNQCLSA-N 300.377 3.009 0 40 DGAB COc1cccc(N2CCN(CC(=O)c3ccc(C)cc3)CC2)c1 36186396 NXIGMPUZEZKPBM-UHFFFAOYSA-N 324.424 3.009 0 40 DGAB COc1ccc(-c2nc(Cn3c(=O)oc4ccccc43)co2)cc1 42667953 KCSHVILUFNNIBY-UHFFFAOYSA-N 322.320 3.306 0 40 DGAB Cc1cc(NC(=O)N[C@H](c2ccccc2)c2ccccn2)n(C)n1 43434955 DRGKBHKBERWWJV-QGZVFWFLSA-N 321.384 3.035 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](c1nc2ccccc2[nH]1)C(C)C 45673315 NSNWSXPGDUQZOS-HNNXBMFYSA-N 312.373 3.295 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(N2CCCC2)c(F)c1)[C@H]1CCCO1 48139129 LMSXBCCWUUAMQH-MLGOLLRUSA-N 321.396 3.115 0 40 DGAB O=C(NCCc1cccs1)[C@@H]1CCCN1Cc1ccccc1 50024533 NTRSGEVYEDXHEJ-KRWDZBQOSA-N 314.454 3.071 0 40 DGAB Cc1nc2cc(F)ccc2cc1C(=O)N1CCO[C@@H]2CCC[C@H]21 56193875 NBCLIEABDLFMJB-IAGOWNOFSA-N 314.360 3.076 0 40 DGAB CC(C)OCc1cccc(NC(=O)CC(C)(C)CC(=O)O)c1 58264622 JLMBXVBUNWAAHZ-UHFFFAOYSA-N 307.390 3.441 0 40 DGAB Cc1cc(NC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n(C)n1 58390473 FFCYMIRNAIGCTI-IHWZXDPASA-N 316.449 3.455 0 40 DGAB O=C(NCCCOc1ccc(F)cc1)N1CCc2ccccc21 58412981 RFRAEEMLHMWZMZ-UHFFFAOYSA-N 314.360 3.367 0 40 DGAB CC(C)(C)c1ncc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cn1 63817732 YLPBRQMBJNNSJY-OAHLLOKOSA-N 324.384 3.230 0 40 DGAB Nc1ccc(-c2nc(C3CC3)nn2-c2ccccc2Cl)cn1 65404690 TUDITESIEVGINM-UHFFFAOYSA-N 311.776 3.442 0 40 DGAB CCOC(=O)C1CCN(C(=O)C[C@H](C)C2CCCCC2)CC1 65521162 ZRXAULDQLKBKDM-AWEZNQCLSA-N 309.450 3.395 0 40 DGAB Cc1ccc(NC(=O)C[S@](=O)Cc2cccc(F)c2)cc1 66301718 GIARRLBSMIZUSC-NRFANRHFSA-N 305.374 3.022 0 40 DGAB COc1ccc(C(=O)CN2CCN(c3ccccc3C)CC2)cc1 67206452 USDUAAAMZBCZTR-UHFFFAOYSA-N 324.424 3.009 0 40 DGAB Cc1ccc(C)c(OCCCCC(=O)NC2CCC(O)CC2)c1 67476046 MMJJYCZXBBJALA-UHFFFAOYSA-N 319.445 3.272 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)ccc1NC(=O)NC1CC1 69202724 RUFKBZIJBUHISS-GFCCVEGCSA-N 315.417 3.151 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1cnc(C(C)(C)C)s1 69512776 MPKNRTYWZPEPOM-STQMWFEESA-N 321.490 3.139 0 40 DGAB COC(=O)c1cc(F)c(C)c(NC(=O)Cc2cccs2)c1 69668729 ICTGSKGVFNRAPF-UHFFFAOYSA-N 307.346 3.163 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)Cc2ccc(C)s2)C1 69921267 LULNDDHWUJZNIA-CQSZACIVSA-N 317.458 3.222 0 40 DGAB O=C(Cc1ccc(F)cc1)NC[C@@H](O)c1cccc2ccccc12 70635963 WMZYVJOKQKVYBA-LJQANCHMSA-N 323.367 3.371 0 40 DGAB O=c1[nH]c2ccc(-c3cn4cc(C(F)(F)F)ccc4n3)cc2o1 71571274 IWEYTOSWQRDXAI-UHFFFAOYSA-N 319.242 3.455 0 40 DGAB COCc1ccccc1CNc1cncc(-n2nc(C)cc2C)n1 71924477 BUPYZEOZHQXHGD-UHFFFAOYSA-N 323.400 3.038 0 40 DGAB N[C@H]1C(=O)N(c2cccc(F)c2)[C@@H]1c1ccc(C(F)(F)F)cc1 72227656 PCHIHNKCUXGBPI-ZIAGYGMSSA-N 324.277 3.260 0 40 DGAB CCc1ccsc1C(=O)N1CCC[C@@H](c2noc(C)n2)C1 72231760 IZEHIWNCAZGWOT-GFCCVEGCSA-N 305.403 3.022 0 40 DGAB Clc1ccc(CCCN2CCN(C[C@@H]3CCCO3)CC2)cc1 77247338 XMXKIDPWVYESEK-SFHVURJKSA-N 322.880 3.069 0 40 DGAB CC(C)N(c1ccccc1)S(=O)(=O)c1ccc(Cl)nc1 78503021 RMXASSYASXXRQZ-UHFFFAOYSA-N 310.806 3.339 0 40 DGAB O[C@H](CN(Cc1ccccc1)Cc1cscn1)c1ccco1 84496807 JQHPYYQMDKMVOM-MRXNPFEDSA-N 314.410 3.472 0 40 DGAB NC(=O)c1ccc(CNCc2cccc(C(F)(F)F)c2)s1 89774536 PXTJVDACYXFIHE-UHFFFAOYSA-N 314.332 3.156 0 40 DGAB O=C(c1cnc(-c2ccccc2)nc1)N1C[C@H]2CC=CC[C@H]2C1 89851376 DZUUECLEGQREHN-IYBDPMFKSA-N 305.381 3.182 0 40 DGAB CC(C)Nc1cccc(C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c1 89887731 RMUFLXUWWLQHJY-LPHOPBHVSA-N 316.445 3.274 0 40 DGAB OCc1ccc(CN2CCCCC[C@H]2C[C@H](O)c2ccco2)o1 91963115 GZIXAZMYVVCAJR-YOEHRIQHSA-N 319.401 3.233 0 40 DGAB CCc1nnc(C[S@](=O)Cc2ccc(CC(C)C)cc2)o1 95412821 ZFUXZHICYMFLMG-NRFANRHFSA-N 306.431 3.279 0 40 DGAB Cc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)o1 95424078 MTEABMDVZKUOED-CYBMUJFWSA-N 321.760 3.496 0 40 DGAB NC(=O)CCSc1ccccc1NCc1ccc(F)cc1 95429044 CCYFZYDLJKAFTL-UHFFFAOYSA-N 304.390 3.405 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1c(C)nn2cccnc12 95431750 FZINOGUBJKYTPQ-UHFFFAOYSA-N 324.384 3.427 0 40 DGAB Cn1cc([C@@H]2COC3(CCN(Cc4ccsc4)CC3)C2)cn1 96047791 NASVUBBNQQPRPN-HNNXBMFYSA-N 317.458 3.020 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1ccc(F)cc1Cl 96098528 LNZJPRMJEYEDJA-UHFFFAOYSA-N 322.771 3.204 0 40 DGAB Cc1ccc(CN2CC[C@@H]3[C@H](CCN3Cc3nccs3)C2)o1 96249227 GXHKPNLWTZSUHT-GDBMZVCRSA-N 317.458 3.141 0 40 DGAB Fc1ccc2c(c1)CCC[C@H]2NCCc1nnc2ccccn12 97033241 HHMGZZMOFNRFSE-MRXNPFEDSA-N 310.376 3.078 0 40 DGAB CCO[C@@H]1C[C@H](N[C@@H]2CCCn3nc(C)nc32)C12CCCCC2 97034728 RCCZIPMICSYKBH-OWCLPIDISA-N 318.465 3.139 0 40 DGAB Cc1cc(F)cc([C@@]2(F)CCN(C(=O)c3ccc(CN4C(=O)CCC4=O)cc3)C2)c1 97372204 GCKFBSXNGZJSAH-VHSXEESVSA-N 412.436 3.494 0 40 DGAB CSc1nc(NCc2ccc(-c3ncon3)cc2)cc(C2CNC2)n1 97374644 ZSEOKAWGUFAAIW-JGVFFNPUSA-N 354.439 2.547 0 40 DGAB O=C([C@@H]1C[C@H]1c1ccc(Cl)cc1)N(C[C@H]1CCOC1)C1CC1 107351482 FUCXPXTYPKWUCJ-OAUYIBNBSA-N 319.832 3.471 0 40 DGAB C[C@H](Cc1c[nH]c2ccccc12)N1C(=O)[C@H]2CC=CC[C@@H]2C1=O 107394703 LJIZIHBURVFNLK-KCXAZCMYSA-N 308.381 3.050 0 40 DGAB O=C(Nc1cccc(Cl)c1)N[C@H]1CCN(c2nccs2)C1 206815652 CUYYJSRWXZNLIQ-LBPRGKRZSA-N 322.821 3.197 0 40 DGAB Cc1ccccc1COC(=O)c1snnc1-c1cccnc1 223852401 LZENEUPJJNYQII-UHFFFAOYSA-N 311.366 3.266 0 40 DGAB CCc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2)cc1 224598584 BEIOKTVBFHIANY-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NC(C)C)n1 225202952 MNVFBYQLMSMIRY-UHFFFAOYSA-N 319.409 3.363 0 40 DGAB CCCNC(=O)Nc1ccccc1C(=O)NCc1ccccc1 225772391 OMSCBNWHTOPOKC-UHFFFAOYSA-N 311.385 3.148 0 40 DGAB Cc1nn(CCNC(=O)c2ccoc2)c(C)c1-c1ccccc1 238953328 XKDTZWXIGWIQEF-UHFFFAOYSA-N 309.369 3.190 0 40 DGAB Cc1nc(-c2cnc(C)n2C)cc([C@H]2CCCN(C(C)C)C2)n1 257205928 BBCIDNGCUJANCV-HNNXBMFYSA-N 313.449 3.082 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCC2(CC1)CC2(F)F 404912531 VGHRWIVEMOAXOU-UHFFFAOYSA-N 304.340 3.358 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1Cc1c(Cl)cccc1Cl 408710602 PVDNGXRVNVWUJS-QYAIJTBZSA-N 322.191 3.301 0 40 DGAB CN(Cc1ncon1)C(=O)c1ccc(-c2ccc(F)cc2)s1 538682270 AVLVUPIHIQTMCH-UHFFFAOYSA-N 317.345 3.209 0 40 DGAB Cc1nc(O)[nH]c1C(=O)NC1(c2ccc(Cl)cc2)CCCC1 568661518 SGCIMPYDISSNPT-UHFFFAOYSA-N 319.792 3.276 0 40 DGAB O=C(Cc1nc(C2CC2)n[nH]1)Nc1ccc(SC(F)F)cc1 1540333046 VUNTVARBALWDOS-UHFFFAOYSA-N 324.356 3.178 0 40 DGAB Cc1ccc(C)c(OCC(=O)Nc2ccc(C(=O)O)cc2)c1C 144557 HFJSIGVTONMOKC-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB Cc1cc(S(=O)(=O)n2ccnc2C)c(Cl)cc1Cl 264683 SOKFSYFNQPBRJV-UHFFFAOYSA-N 305.186 3.044 0 40 DGAB CC[C@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780437 JIUPTVAHQYZZLP-LBPRGKRZSA-N 322.836 3.107 0 40 DGAB CCOc1nc(Nc2ccc(OC)c(Cl)c2)nc(OCC)n1 808250 HUQUQRMXRCGVHV-UHFFFAOYSA-N 324.768 3.075 0 40 DGAB COc1ccccc1C(=O)OCc1cc2ccc(C)cc2[nH]c1=O 1267280 VLWIODAOTDUVBZ-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB CC(=O)NC[C@H](OC(C)=O)c1ccc2c(c1)[nH]c1ccccc12 1721445 ISRQKQYGYHEDAN-SFHVURJKSA-N 310.353 3.061 0 40 DGAB COc1ccc2c(CCNC(=O)c3ccccc3C)c[nH]c2c1 2221457 JTBINGCNLXLVMF-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB CC[C@@H](NC(=O)c1nn2cccnc2c1Cl)c1ccccc1 2793779 MDELWZATNUQMLR-GFCCVEGCSA-N 314.776 3.264 0 40 DGAB O=C(OCCOc1ccccc1Cl)c1cn2ccccc2n1 3350137 JIGCQUKZEQQVKU-UHFFFAOYSA-N 316.744 3.224 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(Cl)c2)o1 3439921 KMYNVKRIFHJCGA-UHFFFAOYSA-N 311.696 3.176 0 40 DGAB O=C(OCc1nnc(-c2ccccc2)o1)c1c(F)cccc1F 3526343 JYWNLLGDTBQHOB-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB O=C(NCCC1=CCCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 4035116 FFJKXEGVBJBHGL-MRXNPFEDSA-N 318.461 3.174 0 40 DGAB CSc1ccccc1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 4650990 UQTOGQHLUONZDZ-QOBDMFJFSA-N 305.399 3.094 0 40 DGAB Cc1ccc2cc3c(NC(=O)c4ccccn4)nn(C)c3nc2c1 5478697 VWRXHGFGMWPCLG-UHFFFAOYSA-N 317.352 3.077 0 40 DGAB COc1ccc(OC)c(S(=O)(=O)Nc2ccc(C)cc2C)c1 6315792 FGUFYZUHCWNEHP-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB COc1ccc(CCN(C)C(=O)Nc2ccccc2)cc1OC 6451904 SEFBIXZSMWSBNG-UHFFFAOYSA-N 314.385 3.410 0 40 DGAB COc1ccc(Cn2cnc3ccc(Cl)cc3c2=O)cc1F 6589091 YOOFUJPGFHIZPZ-UHFFFAOYSA-N 318.735 3.246 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccc(OC(F)(F)F)cc2)C[C@@H](C)O1 6764169 ZXYCTPSKEGEKRP-AOOOYVTPSA-N 318.295 3.226 0 40 DGAB O=S(=O)(Nc1ccc(N2CCCC2)cc1)c1cccs1 7051661 NBQICGYPFVFRHD-UHFFFAOYSA-N 308.428 3.149 0 40 DGAB Cc1cc(C)c(NC(=O)CSc2nnc(C)n2C)c(Cl)c1 7234702 TVQXVYLICULECU-UHFFFAOYSA-N 324.837 3.125 0 40 DGAB Fc1ccccc1OCCn1nnc(-c2ccc(Cl)cc2)n1 7975230 CSQVPRYVFYNQLA-UHFFFAOYSA-N 318.739 3.212 0 40 DGAB CC(C)c1ccc(CCNc2nnnn2-c2ccccc2)cc1 7979176 YUEHPFXFCJMEML-UHFFFAOYSA-N 307.401 3.440 0 40 DGAB CC(C)c1nnc(NC(=O)[C@H]2Cc3cc(Cl)ccc3O2)s1 7985647 HBGWJHFBHRHCDF-LLVKDONJSA-N 323.805 3.257 0 40 DGAB O=C(CCNC(=O)Nc1ccccc1)NCCC1=CCCCC1 7989546 PULRNUPQTDVGIE-UHFFFAOYSA-N 315.417 3.205 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1COc2ccccc2C1 8114070 AJDQYYOTCMLRLL-FUHWJXTLSA-N 307.393 3.432 0 40 DGAB CCN(CC)C(=S)SCc1nc2c(C)cccc2c(=O)[nH]1 8232846 ZTAZRNUCZSWUJV-UHFFFAOYSA-N 321.471 3.091 0 40 DGAB O=C(OCc1nc2ccccc2o1)C1C[C@@H]2CCC[C@H](C1)C2=O 8573732 MDCJMJPQSWERTR-FUNVUKJBSA-N 313.353 3.266 0 40 DGAB C[C@@H](Sc1ccc2ccccc2n1)C(=O)NC[C@@H]1CCCO1 8710632 BPOPHRVLUZCEHZ-OCCSQVGLSA-N 316.426 3.011 0 40 DGAB COc1ccc(NC(=O)c2ccc(O)c(Cl)c2)c(OC)c1 8984844 BMSOTIHPZGOMGV-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB CCc1ccc(-c2csc(NC(=O)c3cnccn3)n2)s1 9390232 VFVVFOVAZNCRIA-UHFFFAOYSA-N 316.411 3.476 0 40 DGAB COC(=O)[C@H](Sc1nnc(NC(C)C)s1)c1ccccc1 9578065 DNSGQPYSJGKAQY-LLVKDONJSA-N 323.443 3.365 0 40 DGAB CC(=O)c1csc(NC(=O)Cn2ccc3ccc(F)cc32)n1 12148443 UQSQNAYMNLAKKS-UHFFFAOYSA-N 317.345 3.078 0 40 DGAB COc1ccc(NC(=O)CCc2ccco2)cc1OC(F)F 12911026 RLDICRHDCMOCJE-UHFFFAOYSA-N 311.284 3.461 0 40 DGAB COc1ccccc1OCCNC(=O)c1cccc2cccnc12 12982436 SFRZWNMOHGAIPX-UHFFFAOYSA-N 322.364 3.052 0 40 DGAB COc1ccc([C@@H]2CCCN2c2nnnn2-c2ccccc2)cc1 12985142 ONEJOJVRIPKPST-KRWDZBQOSA-N 321.384 3.012 0 40 DGAB Nc1c(C(=O)NCCc2ccccc2)sc(=S)n1C1CC1 13727750 UUQINORTHDXDKL-UHFFFAOYSA-N 319.455 3.169 0 40 DGAB Cc1cnc(C(=O)N[C@H]2[C@H]3CCCC[C@@H]3[C@@H]2c2ccccc2)cn1 19239008 WDQXDRVEKYNEHE-CAMMJAKZSA-N 321.424 3.487 0 40 DGAB Oc1cc(-c2cccnc2)nc2cc(-c3cccc(F)c3)nn12 19294340 IBVYBKPNGFROJA-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB Cc1nc(COc2ccccc2)sc1C(=O)N1CCCC1 20428049 MGJGDVBHOSHGEO-UHFFFAOYSA-N 302.399 3.267 0 40 DGAB CC[C@@H](C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 20886586 YHLRIHZBELMHDO-QAPCUYQASA-N 324.424 3.463 0 40 DGAB CCCNC(=O)[C@@H](C)OC(=O)/C=C/c1ccc(C(C)C)cc1 21604413 MQJMRZZTJXBQIK-BMGYJQCNSA-N 303.402 3.281 0 40 DGAB Cc1ccc(N2C(=O)N(Cc3ccc(F)cc3)C(=O)[C@H]2C)cc1 22704131 YMFGCXMAVTZMDZ-CYBMUJFWSA-N 312.344 3.491 0 40 DGAB COc1cccc(-n2ccnc2SCC(=O)c2ccc[nH]2)c1 22714267 SZPANKLDMZFKIG-UHFFFAOYSA-N 313.382 3.184 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1cc2cc(F)ccc2s1 24477418 VGFYFMNNGNLNIY-UHFFFAOYSA-N 303.362 3.046 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1cccc(N2CCCCC2=O)c1 24942787 MMCPXPRMHFCLNT-INIZCTEOSA-N 316.401 3.101 0 40 DGAB COC(=O)c1sccc1NC(=O)N1CCc2ccccc2C1 24947866 SOUZQJPPJPBNRD-UHFFFAOYSA-N 316.382 3.125 0 40 DGAB COc1ccccc1NC(=O)NC[C@H](OC)c1ccccc1 25247600 BGELEXCHTGSOEF-INIZCTEOSA-N 300.358 3.204 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCCC1)c1ccco1 27584258 OFNNQFSREOOMEG-ZDUSSCGKSA-N 304.415 3.298 0 40 DGAB Cc1ccsc1C(=O)N1CCC[C@@H]1c1nnc2ccccn12 29074149 OVCQYINQFBFTGM-GFCCVEGCSA-N 312.398 3.077 0 40 DGAB O=C(NC1CCCC1)N1CCC([C@@H](O)c2ccccc2)CC1 31031879 DCSVYZANVFNXBC-KRWDZBQOSA-N 302.418 3.084 0 40 DGAB O=C(/C=C/c1ccsc1)N1CCC[C@H]1c1nnc2ccccn12 31502750 IFMGWAAIQCMTJR-UZYOAWRESA-N 324.409 3.168 0 40 DGAB COc1ccc(NC(=O)c2c(Cl)c3ccccc3n2C)cn1 40090019 OJBIWOLDLFOTPN-UHFFFAOYSA-N 315.760 3.488 0 40 DGAB O=C(NCc1ccc(F)cc1)N(Cc1cccc(O)c1)C1CC1 40135580 WVENOJZNZZYEEJ-UHFFFAOYSA-N 314.360 3.406 0 40 DGAB Cc1ccc(-n2ncc(C(=O)OCc3nccs3)c2C)cc1 40157170 LRVBDDYRMQVOLQ-UHFFFAOYSA-N 313.382 3.303 0 40 DGAB COc1cccc(NC(=O)c2cccnc2Br)c1 41107461 MQTSNQYQZGXYFT-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)SCc2ccccc2)cn1 44414153 XKQILPUYUVRPRL-ZDUSSCGKSA-N 316.426 3.028 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2ccc(F)cc2)cc1 44842153 AMGGHKPXDPZTMJ-GFCCVEGCSA-N 323.389 3.015 0 40 DGAB COc1ccc(CC(=O)N2CCC[C@H]2c2cc(C)no2)cc1F 47266504 YIRDTYQJNAEYBC-AWEZNQCLSA-N 318.348 3.037 0 40 DGAB COC(=O)c1ccc(C(=O)N2CCC[C@@H]3CCCC[C@@H]32)s1 47644149 YGXZBZCDPLUGTC-RYUDHWBXSA-N 307.415 3.330 0 40 DGAB O=C(c1ccc(S(=O)(=O)C2CCCC2)cc1)N1CCCCC1 50535313 SLNNVQASUIRGQD-UHFFFAOYSA-N 321.442 3.029 0 40 DGAB Cc1noc([C@@H]2CCCN(CCCOc3ccc(F)cc3)C2)n1 54676927 WDCATWZPEUAWSB-CQSZACIVSA-N 319.380 3.166 0 40 DGAB Cc1nc(NC(=O)c2cc[nH]n2)sc1Cc1ccc(F)cc1 55584533 AWZCODFCAPIBMN-UHFFFAOYSA-N 316.361 3.157 0 40 DGAB O=C(C[C@H]1C=CCC1)NC[C@@H](O)c1ccccc1C(F)(F)F 58282437 JNTPUFYIZRTCGS-SMDDNHRTSA-N 313.319 3.211 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)c1ccnc(-n2ccnc2)c1 58328022 IKMGVJFQWOEFJB-GFCCVEGCSA-N 312.398 3.162 0 40 DGAB COc1ccccc1-c1ccccc1C(=O)NC[C@H](C)N(C)C 58377634 NINMEURMFHMIFI-AWEZNQCLSA-N 312.413 3.042 0 40 DGAB O=C(NC1CC1)[C@H](N[C@H]1C[C@H]1c1ccccc1)c1ccccc1 63631182 NIPYEECYHMYYOX-GBESFXJTSA-N 306.409 3.152 0 40 DGAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc2c(c1)COC2 64387991 ZYGMBMIAYJTWBO-UHFFFAOYSA-N 307.309 3.019 0 40 DGAB O=C(CNc1cc(CO)ccc1Cl)Nc1ccc(F)cc1 68923601 NALILJNGTTZVBZ-UHFFFAOYSA-N 308.740 3.022 0 40 DGAB CCN(C(=O)c1cccnc1)[C@@H]1CCN([C@@H](C)c2ccccc2)C1 69460510 KYFVMMLIPLEDTF-QFBILLFUSA-N 323.440 3.379 0 40 DGAB Cc1ccccc1SCC1=NS(=O)(=O)c2ccccc2N1 69899052 GUVMZUKYJFTYNO-UHFFFAOYSA-N 318.423 3.300 0 40 DGAB C[C@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@@H](C)C1 71920660 UINNFBJPLWZSMY-KBPBESRZSA-N 300.402 3.074 0 40 DGAB Brc1nc(Br)n(CC2CCCCC2)n1 71978798 WNUMITLTDBSELP-UHFFFAOYSA-N 323.032 3.383 0 40 DGAB O=C(NCCCn1cccn1)c1ccc(Oc2ccccc2)o1 72264844 WDXUZWXUJXLARW-UHFFFAOYSA-N 311.341 3.089 0 40 DGAB CC[C@@H](NC(=O)C[C@H]1CCCO1)c1nc(C(F)(F)F)cs1 73279917 DLICIMROMQUZLI-RKDXNWHRSA-N 322.352 3.298 0 40 DGAB O=S(=O)(Nc1nc2c(s1)CCCCC2)c1cccs1 73341076 CYYVRKAELDWCSA-UHFFFAOYSA-N 314.457 3.274 0 40 DGAB O=S(=O)(Cc1ccccc1)N1CCC(c2cccs2)CC1 75157064 DOHNWIMQIAGXRX-UHFFFAOYSA-N 321.467 3.458 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1nccc3ccccc13)CCO2 76067049 CGRQQNKRVRUHTA-UHFFFAOYSA-N 320.348 3.283 0 40 DGAB Cc1cc(O[C@H](O)Cn2cnc3ccccc32)ccc1Cl 76555323 DQSRJLNAXNYDRH-INIZCTEOSA-N 302.761 3.396 0 40 DGAB Cc1nc(CN2Cc3ccccc3[C@@H](n3cccn3)C2)cs1 76731829 CYFNILGRURRNQQ-KRWDZBQOSA-N 310.426 3.253 0 40 DGAB CCC(O)(CC)CNC(=O)[C@@H](C)CSc1ccc(F)cc1 79070014 GGZYPFWVSXUGLL-LBPRGKRZSA-N 313.438 3.221 0 40 DGAB Cc1ccc([C@](C)(O)CNC(=O)C/C=C/c2ccc(F)cc2)o1 81833668 JEWVYMPYKHRQKX-OAJJDEHYSA-N 317.360 3.154 0 40 DGAB O=C([C@@H]1CCc2ccccc21)N1CCC[C@@H]1c1noc(C2CC2)n1 84581847 YIGHMUYQLGJMAF-HZPDHXFCSA-N 323.396 3.341 0 40 DGAB CCc1n[nH]c(S[C@H](C)c2nnc(-c3cccs3)o2)n1 89279793 UHIPIGUOYJLGRW-SSDOTTSWSA-N 307.404 3.332 0 40 DGAB Cc1cccc([C@H]2CC(c3ccsc3)=NN2S(C)(=O)=O)c1 89669375 RMAGJQHHAITMKV-OAHLLOKOSA-N 320.439 3.167 0 40 DGAB CC[C@H](COC)NC(=O)N[C@H](C)c1cccc(N2CCCC2)c1 89943605 GDKGTEWEQMGFPE-GDBMZVCRSA-N 319.449 3.072 0 40 DGAB Cc1ccc(CN[C@H]2CCCN(c3ccccc3F)C2=O)o1 90227897 AZJDZMBFNCXWKV-HNNXBMFYSA-N 302.349 3.012 0 40 DGAB c1ccc(-c2ccc(CN3CCOC4(CCOCC4)C3)o2)cc1 91894555 TXMKOMOPNVVPNG-UHFFFAOYSA-N 313.397 3.328 0 40 DGAB Cc1cn2cc(NC(=O)c3[nH]c4c(c3C)C(=O)CCC4)ccc2n1 95393793 KSCFYVSYMWIUEJ-UHFFFAOYSA-N 322.368 3.051 0 40 DGAB O=C(Nc1nccs1)[C@H]1CCCN(c2ccncc2Cl)C1 95408544 QFUGDGWWMZWAOP-JTQLQIEISA-N 322.821 3.047 0 40 DGAB CC(C)n1ccc(CCNC(=O)N2[C@H]3CCCC[C@H]3C[C@H]2C)n1 95411341 AMTLTMJKTNMVGK-VYDXJSESSA-N 318.465 3.369 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)cc1C 95915147 BLCFVHOHOROZME-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB C[C@@H](NC[C@@]1(O)CCCc2ccccc21)c1cncc(F)c1 95967850 VUYCHCVDPUQMKS-ACJLOTCBSA-N 300.377 3.095 0 40 DGAB Cc1ccc(C(=O)Nc2nc(C)ns2)c(Br)c1 95974529 MEQGMBHJHAZHJY-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB CSCC[C@H](C)NC(=O)N(C)Cc1cc(F)c(F)c(F)c1 95991050 GSOPLXFYBYKCLA-VIFPVBQESA-N 320.380 3.387 0 40 DGAB CC(C)(C)Sc1cc(C(=O)NC[C@@H](O)c2ccco2)ccn1 95995266 YSPPBBJENWSVLK-GFCCVEGCSA-N 320.414 3.029 0 40 DGAB Cc1ccc(C2(C(=O)NCc3cccs3)CCOCC2)cc1 96182485 SMBLNXMEDMPFHY-UHFFFAOYSA-N 315.438 3.421 0 40 DGAB O=C(CCCn1cccn1)NCC1(c2cccc(Cl)c2)CC1 96416714 RWRRQNNTXBCQDX-UHFFFAOYSA-N 317.820 3.165 0 40 DGAB Cc1ccc(CN(C)C(=O)COc2ccc3ncccc3c2)o1 96455267 LYXFEIVGEGPOGC-UHFFFAOYSA-N 310.353 3.174 0 40 DGAB C[C@H](NC[C@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 96490996 CZNAUZLKYAURTG-UONOGXRCSA-N 302.418 3.112 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1 102804482 WCIQUPLJLMIALB-IOASZLSFSA-N 317.385 3.003 0 40 DGAB C[C@H](N[C@@H]1C=C[C@H](CO)C1)c1cc(Br)ccc1F 183578970 BVCNIPQLMUFJAT-JBLDHEPKSA-N 314.198 3.176 0 40 DGAB CCc1ncsc1NS(=O)(=O)Cc1ccc(C)c(F)c1 195579786 CNQKEKNUYGCNSN-UHFFFAOYSA-N 314.407 3.095 0 40 DGAB CC(C)(C)OC(=O)[C@@H](N)Cc1ccc(F)cc1C(F)(F)F 199831796 YYGGFTKOLVBOCY-NSHDSACASA-N 307.287 3.056 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCC[C@@H](C)C2)nc1 223878432 RXFHZKUCJFYNDD-CYBMUJFWSA-N 306.479 3.260 0 40 DGAB Cc1ccccc1OC[C@H](C)NC(=S)Nc1cccnc1 225638773 WAVVYJIVIZDPMF-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB Cc1nc(SCC[C@H]2CCCN2C)n(C[C@H]2CCCO2)c1C 252486777 NDZXYZJTJGUAGG-HZPDHXFCSA-N 323.506 3.255 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)NC2CCCC2)[C@@H]1c1ccccc1 257259058 KWRBBAPSOJKMRH-AEFFLSMTSA-N 314.429 3.045 0 40 DGAB c1cc(CN2CCOC[C@@H](Cc3ccc4[nH]ccc4c3)C2)ccn1 257282989 OWEARGWSRVZRAZ-SFHVURJKSA-N 321.424 3.254 0 40 DGAB Cc1cccc(C(=O)N2CCn3c(-c4ccco4)cnc3C2)c1 306142423 WZCKFUDDWLQSPX-UHFFFAOYSA-N 307.353 3.108 0 40 DGAB COC(=O)c1cncnc1/C=C/c1cnc(-c2ccco2)s1 330032606 PRYHBCCACIFYPX-SNAWJCMRSA-N 313.338 3.150 0 40 DGAB COCc1csc(NC(=O)N2CC[C@@H](C3CCCC3)C2)n1 579939967 PHYXMPYAVARXNT-GFCCVEGCSA-N 309.435 3.334 0 40 DGAB CO[C@@H]1CCN(Cc2c(C)n[nH]c2C)C[C@H]1Cc1ccccc1 585278368 ROVSBHZYWAPIRV-IEBWSBKVSA-N 313.445 3.106 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2nnc3ccccn23)c1 55505 ZHCNQGHSJCWHQK-UHFFFAOYSA-N 312.398 3.077 0 40 DGAB COc1ccc2oc(-c3ccc4c(c3)OCCO4)cc(=O)c2c1 178193 ZEUUFLDKXHHAEI-UHFFFAOYSA-N 310.305 3.240 0 40 DGAB biogenic Cn1ncc(Cl)c1C(=O)Nc1cc(C(F)(F)F)ccc1F 376131 FDZQQPMIHMLKKM-UHFFFAOYSA-N 321.661 3.484 0 40 DGAB O=C(Nc1ccccc1)[C@H](c1ccc(Cl)cc1)n1cncn1 1101483 LEBPJXMZZWVRSL-HNNXBMFYSA-N 312.760 3.160 0 40 DGAB CCOc1nc(SCC)nc2c1cnn2-c1ccccc1 1718471 WKXBXNCQBAKWMZ-UHFFFAOYSA-N 300.387 3.326 0 40 DGAB Cc1cc(C)c2c(N)c(C(=O)Nc3ccccc3O)sc2n1 1917316 NYPRBKMTDAMBMZ-UHFFFAOYSA-N 313.382 3.453 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 2534551 JVZILIUANKFKMZ-CQSZACIVSA-N 310.397 3.455 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1c(F)cccc1F 2574833 VAKQNQQCMSKNLI-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB O=C(OCC(=O)c1ccc(Cl)s1)c1ccc2c(c1)OCO2 3314779 DNHLWCYZZZKCTD-UHFFFAOYSA-N 324.741 3.170 0 40 DGAB CCOC(=O)c1ccc(NC(=O)Cc2ccccc2F)cc1 3559903 UQAXOWBQFMJYNZ-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CCCCCCC1=NN(C(=O)C2CC2)[C@](O)(C(F)(F)F)C1 5007963 LUWSKGWDRBUQGV-CYBMUJFWSA-N 306.328 3.206 0 40 DGAB O=C(O)CN1C(=O)[C@H](Cc2ccc(Cl)cc2)c2ccccc21 5175860 DJNJFQSPPAANPQ-CQSZACIVSA-N 315.756 3.098 0 40 DGAB COc1cccc(CNC(=O)c2ccccc2Br)c1 5611383 OYMJFKHXMMVTBN-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)cc1 6314249 RYTUMJGCCRDTFW-LBPRGKRZSA-N 323.389 3.264 0 40 DGAB O=C(COc1ccccc1)N(Cc1ccco1)Cc1ccco1 6747345 NYWCZYXVUIOKCP-UHFFFAOYSA-N 311.337 3.480 0 40 DGAB COc1ccccc1Nc1ncccc1C(=O)N[C@H](C)C1CC1 8192134 MUDYZRPARFLXEC-GFCCVEGCSA-N 311.385 3.362 0 40 DGAB O=C(Nc1nccs1)c1cc2c(nc3sccn32)s1 8719850 MFZDNKIDCZLDHG-UHFFFAOYSA-N 306.397 3.319 0 40 DGAB COc1ccc(CCNC(=O)c2c[nH]c3ccccc23)cc1OC 8764506 ODKYLYWWBHXMRV-UHFFFAOYSA-N 324.380 3.158 0 40 DGAB biogenic CCCCN(C)S(=O)(=O)c1ccc(OC)c2ccccc12 9061939 WEWXVMHKUYGSRB-UHFFFAOYSA-N 307.415 3.269 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3cccc(F)c3)cs2)on1 9954815 DXROHRXCGLLNSY-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1nnc(Cc2cccs2)o1 11694631 DZWMXVWJBGMKEJ-CMDGGOBGSA-N 311.366 3.374 0 40 DGAB CC(C)[C@@H](NC(=O)c1cc(C2CC2)nn1C)c1cccs1 12200373 UPOCJYSADAHJTN-OAHLLOKOSA-N 303.431 3.486 0 40 DGAB CC(=O)NCCC(=O)Nc1ccc(Oc2ccc(C)cc2)cc1 12698898 BNVINQFANDWDBA-UHFFFAOYSA-N 312.369 3.252 0 40 DGAB CCCc1ccc([C@H](Nc2ccc3nnnn3n2)C(C)C)cc1 12881910 AIHUCFDNRVXKRX-QGZVFWFLSA-N 310.405 3.281 0 40 DGAB COc1ccc(-n2nc(C)c3c(=O)cc(C(C)(C)C)[nH]c32)cc1 13557584 ADAFWUPJIYITEJ-UHFFFAOYSA-N 311.385 3.328 0 40 DGAB Cc1cc(C)cc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1 13856389 FIOJRMOAWKRGLT-ZDUSSCGKSA-N 313.353 3.438 0 40 DGAB COc1ccc(/C=C(\C(=O)O)c2ccc(OC)c(OC)c2)cc1 15303705 GJOOKKLVLJZZJR-GDNBJRDFSA-N 314.337 3.338 0 40 DGAB CCOC(=O)c1nc(Nc2ccccc2)sc1C(=O)OCC 16683068 YEYJDWAGHJDIFO-UHFFFAOYSA-N 320.370 3.240 0 40 DGAB CCCc1cc([C@H]2CCCCCN2Cc2cnn(C)c2)no1 19525420 LCOGUQJRZIRJMB-QGZVFWFLSA-N 302.422 3.478 0 40 DGAB COc1ccc(-n2c(S)nnc2[C@@H](C)N2CCCCC2)cc1 20255367 VRDNVZPPISQHHP-GFCCVEGCSA-N 318.446 3.112 0 40 DGAB Cc1ccccc1CN(C)Cn1nc(C)c2ccccc2c1=O 21964106 YZLGBTHEOGJVAK-UHFFFAOYSA-N 307.397 3.103 0 40 DGAB CCOC(=O)c1sc(NC(=O)Cc2ccccc2C)nc1C 23124859 FLAMXVJHOLCFIX-UHFFFAOYSA-N 318.398 3.118 0 40 DGAB CCOc1coc(C(=O)Nc2c(C)cc(C)cc2C)cc1=O 23136945 PVHLHCCHROBTCM-UHFFFAOYSA-N 301.342 3.216 0 40 DGAB CCOc1ccc(C(=O)CCC(=O)Nc2ccc(C)cn2)cc1 24766427 DOARYXPWHNJRTA-UHFFFAOYSA-N 312.369 3.390 0 40 DGAB Cc1cc(S(=O)(=O)N[C@@H]2CCOc3ccccc32)c(C)s1 24977478 YMHWLKRZHIMIKM-CYBMUJFWSA-N 323.439 3.167 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@H]1c1sccc1C 25310103 CFERVKHKYIFLRI-OAHLLOKOSA-N 302.399 3.269 0 40 DGAB COCc1cccc(NC(=O)Cc2ccc(OC)c(OC)c2)c1 25334930 UAMXIVXHOQQWQY-UHFFFAOYSA-N 315.369 3.031 0 40 DGAB Cc1ccnc2c(N3C(=O)[C@@H]4CC=CC[C@]4(C)C3=O)cccc12 26503878 YPLYKJQCTIPVQH-LIRRHRJNSA-N 306.365 3.389 0 40 DGAB O=C(c1ccc(F)cc1)c1ccc(Br)cc1CO 26892153 DSXGDABDEZITPU-UHFFFAOYSA-N 309.134 3.312 0 40 DGAB CC(C)NC(=O)c1ccccc1NC(=O)c1cccc(F)c1 27242481 HXVWKDYRIMEUBA-UHFFFAOYSA-N 300.333 3.216 0 40 DGAB CC(=O)c1c(Nc2ccc(OC(F)F)cc2)oc(C)cc1=O 27526317 CZIBRGYDUFEDLS-UHFFFAOYSA-N 309.268 3.496 0 40 DGAB CC(C)CNC(=O)c1ccccc1NC(=O)Cc1cccs1 29761752 AZDCTLVSEYWOGY-UHFFFAOYSA-N 316.426 3.315 0 40 DGAB COc1cccc(CC(=O)NCCSCc2ccsc2)c1 32781543 BASCWPSIIIFHEA-UHFFFAOYSA-N 321.467 3.349 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)c3nc4ccccc4s3)ccc21 38677824 GVXYRHUEHPLVFO-UHFFFAOYSA-N 323.377 3.068 0 40 DGAB O=C(C1CCN(Cc2ccc(F)cc2)CC1)N1CCCCCC1 39766045 JJXYHFHIHGDZTD-UHFFFAOYSA-N 318.436 3.440 0 40 DGAB O=C(NCCCOCc1ccco1)c1cc2cc(F)ccc2[nH]1 40062023 NCTDUEPXTJQALX-UHFFFAOYSA-N 316.332 3.237 0 40 DGAB COc1ccccc1OCC(=O)N1CCCCc2ccccc21 40133935 DJDJHQIZANMDPZ-UHFFFAOYSA-N 311.381 3.444 0 40 DGAB Nc1cc(C(=O)N2CCc3ccccc32)ccc1Br 40294422 BYQVRWULAZCLAB-UHFFFAOYSA-N 317.186 3.234 0 40 DGAB C[C@@H](c1cccs1)N(C)C(=O)NC[C@H](c1ccco1)N(C)C 40487711 NDIGOTOELCRVHF-QWHCGFSZSA-N 321.446 3.346 0 40 DGAB CCCc1ccccc1NC(=O)C1CCN(c2ncccn2)CC1 40548547 CPYWCTOMGWSJPT-UHFFFAOYSA-N 324.428 3.284 0 40 DGAB CC1CCN(C(=O)COc2cccc(C(F)(F)F)c2)CC1 41103654 XWYXIXZRMFKZOK-UHFFFAOYSA-N 301.308 3.343 0 40 DGAB Cc1ccc(CSCC(=O)Nc2c(C)nn(C)c2C)cc1 45000417 KCYZUBLUXHCVAJ-UHFFFAOYSA-N 303.431 3.217 0 40 DGAB COc1cc(CNCc2ccc(C)s2)cc2c1OCCO2 47798571 FVSKBPBZCRRDQV-UHFFFAOYSA-N 305.399 3.126 0 40 DGAB COCCOc1nc(C(=O)N[C@H](C)C(C)C)cc2ccccc12 48288034 UILKTZSWKMKMQB-CYBMUJFWSA-N 316.401 3.034 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)O 48382421 RGQWVNYADJZTDK-KBPBESRZSA-N 317.385 3.389 0 40 DGAB O=C(CCn1cncn1)N1CCC[C@H]1c1cccc2ccccc12 56363202 KJQRIOHOLPDTEO-SFHVURJKSA-N 320.396 3.185 0 40 DGAB O=C(CC[C@@H]1CCCO1)Nc1nnc(C2CCCCC2)s1 65554520 RQIIKDLOXLFCCG-LBPRGKRZSA-N 309.435 3.484 0 40 DGAB COc1cccc(Cc2nnc(SCc3ccccn3)o2)c1 66256769 FJXVBEMWCYSFFS-UHFFFAOYSA-N 313.382 3.356 0 40 DGAB COCCOc1ccc(F)cc1NC(=O)c1sccc1C 66432560 MHWOLXFMAIETKQ-UHFFFAOYSA-N 309.362 3.473 0 40 DGAB Cc1ccc(-n2cc(C(=O)NC3CCCCCC3)nn2)cc1C 67261858 AREFCXUTHFCSSB-UHFFFAOYSA-N 312.417 3.337 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)c3cnc(C4CC4)s3)C2)c1 69418648 GGOBSIJNSLYWLA-CYBMUJFWSA-N 316.430 3.003 0 40 DGAB COc1ccccc1[C@H]1C[C@H]1C(=O)Nc1cccc(CN(C)C)c1 69487985 KBOMCWCBVDKYSY-QZTJIDSGSA-N 324.424 3.499 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1CCCc1ccccc1 69739747 VVSSICUYBXFLLN-OALUTQOASA-N 300.446 3.095 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H](C)NC(=O)Nc1cccc(C(F)F)c1 69845541 FSKKYLXMHPPVGJ-NXEZZACHSA-N 313.348 3.049 0 40 DGAB Cc1cccc(C2(C(=O)N[C@@H]3CCc4[nH]ncc4C3)CCCC2)c1 69849376 ZLUMMTKDRKPHQG-QGZVFWFLSA-N 323.440 3.204 0 40 DGAB CC(C)(C)Cc1noc2ncc(C(=O)N3CCSCC3)cc12 71827045 KREYPADIPUAUKI-UHFFFAOYSA-N 319.430 3.000 0 40 DGAB C[S@](=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 71893549 CLAPPTVNMAZWBY-JOCHJYFZSA-N 317.385 3.233 0 40 DGAB Cc1cc(N(C)[C@@H](C)c2ccccn2)nc(-c2ccccn2)n1 71904133 NVFCMVKVHJHJHG-AWEZNQCLSA-N 305.385 3.439 0 40 DGAB CCOC1CCN(C(=O)N[C@@H](Cc2ccccc2)C2CC2)CC1 71914997 LLEMPZUHHZZLON-SFHVURJKSA-N 316.445 3.218 0 40 DGAB CCn1nc(C)c2nc(C(C)C)nc(NCc3ccccn3)c21 72238335 XRVOOHSTIFMKOY-UHFFFAOYSA-N 310.405 3.285 0 40 DGAB CC1CCN(C(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)CC1 72243385 OVEKVVZASHIFGP-UHFFFAOYSA-N 311.307 3.454 0 40 DGAB C[C@@H](CCc1ccccc1)CC(=O)NC[C@@H]1CCCN(C)C1 72273288 JUQJOOCKDTUXNX-WMZOPIPTSA-N 302.462 3.103 0 40 DGAB CCc1nnc(-c2ccc(NC(=O)N[C@@H](C)C(C)C)cc2)o1 72309710 OYNKJKREQMZDAA-NSHDSACASA-N 302.378 3.465 0 40 DGAB CC(=O)N1CCC[C@H](c2nccnc2Oc2cccc(F)c2)C1 72361695 LVLKBXIVEYFNKT-ZDUSSCGKSA-N 315.348 3.134 0 40 DGAB Cc1nc(NCc2cccc(F)c2)cc([C@@H]2CCCNC2)n1 72365082 BWOZFYXURXWEOZ-CQSZACIVSA-N 300.381 3.003 0 40 DGAB COc1cc(F)c([C@H](C)NC(=O)[C@H]2CC=CCC2)cc1OC 74611456 WKQDMBCSFBFGOW-RYUDHWBXSA-N 307.365 3.376 0 40 DGAB Cc1ccc(C(=O)NC2CCC(c3ccccc3)CC2)c(=O)[nH]1 75119584 RQMRVNUFDXSEFB-UHFFFAOYSA-N 310.397 3.140 0 40 DGAB COc1ccc(CCN2CCC[C@@H]2c2c(C)nn(C)c2C)cc1 75132307 RHBJAKDDMXRXCB-GOSISDBHSA-N 313.445 3.425 0 40 DGAB Clc1cncc(N2CCC[C@H]2c2ccc3c(c2)OCO3)n1 78774486 WZBFQJXVKFFRPE-NSHDSACASA-N 303.749 3.200 0 40 DGAB COC(=O)C[C@H](NC(=O)Nc1cccc2ccccc12)C1CC1 79058503 QJVILMDCRRZZGD-INIZCTEOSA-N 312.369 3.303 0 40 DGAB Cc1ccc(C(=O)N2C[C@H](n3cccn3)Cc3ccccc32)cn1 81259056 TUYUQWJOXQADAX-QGZVFWFLSA-N 318.380 3.031 0 40 DGAB C[C@H]1CN(C)c2ccccc2CN1C(=O)c1cc(C2CC2)on1 83003500 YDSPZBKADYICNN-LBPRGKRZSA-N 311.385 3.033 0 40 DGAB C[C@H](C(=O)Nc1cccc2[nH]cnc12)n1cnc2ccccc21 84070342 FEPARDHNIHAWSZ-LLVKDONJSA-N 305.341 3.112 0 40 DGAB O=C(Cn1ccnc1)N[C@H]1CCCOc2c1ccc1ccccc21 84370404 OYTRCFQZGIBJKF-KRWDZBQOSA-N 321.380 3.066 0 40 DGAB O=C(Cc1ccn(-c2ccc(F)cc2)n1)OC1CCCCC1 84421988 AGHRZZSGAUSJPB-UHFFFAOYSA-N 302.349 3.430 0 40 DGAB CCc1ncc(CN(C)C(=O)[C@@H](C)Sc2ccccn2)s1 84975288 LLFZHGBYIZHXSF-LLVKDONJSA-N 321.471 3.240 0 40 DGAB Cc1cc(NC(=O)N[C@@H]2CCO[C@@H]2c2ccc(Cl)cc2)no1 89262670 CKTRXRMUGKKSBY-TZMCWYRMSA-N 321.764 3.288 0 40 DGAB COc1ccc([C@H](O)[C@H]2CCCN2C(=O)C2CCCCC2)cc1 89438798 MIGVAHUJHPJGMP-MSOLQXFVSA-N 317.429 3.300 0 40 DGAB Cc1ccsc1CN(C)Cc1nc(N)c2c(C)c(C)oc2n1 89702030 DEVQRSHRMRGVCP-UHFFFAOYSA-N 316.430 3.424 0 40 DGAB C[C@H]1C[C@@H](C(=O)N2CCC(Cc3ccccc3)CC2)CCC1=O 89920206 ISDTVTLGNQZKTK-YJBOKZPZSA-N 313.441 3.473 0 40 DGAB CN(Cc1c[nH]nc1-c1c(F)cccc1F)CC1CCOCC1 93284478 ANQUDSQNCNYKKM-UHFFFAOYSA-N 321.371 3.213 0 40 DGAB CCS[C@H]1CC[C@H](N(C)C(=O)NCc2ncccc2C)C1 95411252 REIVQHQQDYCKRB-KBPBESRZSA-N 307.463 3.206 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@H]2NCCOC[C@H]1CCCO1 95422499 IPHSGRMOLAFFML-NVXWUHKLSA-N 317.429 3.218 0 40 DGAB CCNc1ncc(C(=O)N2CC(Cc3ccccc3C)C2)s1 95429512 KPPFMXCRTMCJSW-UHFFFAOYSA-N 315.442 3.198 0 40 DGAB Cc1ccccc1CCCN(C)c1cccc(S(C)(=O)=O)c1 95452467 OEUZOYBPOPIIFM-UHFFFAOYSA-N 317.454 3.468 0 40 DGAB COC(=N)C1=CN(C(=O)OC(C)(C)C)CC[C@@H]1C(F)(F)F 95626826 MPTMRVJPWNYAJZ-VIFPVBQESA-N 308.300 3.313 0 40 DGAB CC(C)=CC(=O)OCc1cnc2c(C)cc(Br)cn12 96013387 LZHHHCHGMXYLRF-UHFFFAOYSA-N 323.190 3.415 0 40 DGAB CCN(Cc1cnc2ccccn12)C(=O)Nc1cccs1 96025072 UEZVBBYPDFQXGH-UHFFFAOYSA-N 300.387 3.450 0 40 DGAB CC(=O)N1CC[C@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 96058446 PETNXQAXLXPEDC-PMACEKPBSA-N 324.424 3.044 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC[C@H]1C1CCC1 96420238 NJDCUXUKFSJKFL-LBPRGKRZSA-N 316.327 3.242 0 40 DGAB O=C(c1cccs1)N1CC[C@@H](COCc2ccccc2)C1 96426047 LDARIWDTORTIML-OAHLLOKOSA-N 301.411 3.427 0 40 DGAB CC(C)n1cnnc1C1CCN(c2ncccc2Cl)CC1 97047849 KXIPRTSEZRDNJK-UHFFFAOYSA-N 305.813 3.291 0 40 DGAB CNC(=O)CCCC(=O)N[C@H](C)c1cc2cc(Cl)ccc2o1 97103214 AIBHIWGNJYSQIV-SNVBAGLBSA-N 322.792 3.180 0 40 DGAB CCCc1cc(NC(=O)NC[C@@H](C)c2nc(C)cs2)n(C)n1 97113719 WBLSYAIRTJUARE-SNVBAGLBSA-N 321.450 3.063 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1ccc(F)c(F)c1)OC2=O 100190165 XEUMLZTUWZTMIW-HOTGVXAUSA-N 309.312 3.025 0 40 DGAB COc1ccc(C(=O)[C@@H](C(C)=O)C2SCCCS2)cc1 101461137 KPSIKDJPTWWYAT-CYBMUJFWSA-N 310.440 3.279 0 40 DGAB Cc1csc(SCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)n1 102089056 RHAXHHTZOWWQJW-LPWJVIDDSA-N 310.488 3.485 0 40 DGAB CC[C@@]1(C)Nc2ccccc2-c2nc(=O)c(-c3ccccc3)nn21 102112604 ZENRSNXZUXNAKU-IBGZPJMESA-N 318.380 3.481 0 40 DGAB COc1cccc(C(=O)N(C)C)c1OCc1ccc(Cl)cn1 120186622 GSIPAZAUNRQUAL-UHFFFAOYSA-N 320.776 3.024 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccccc1)c1ccc(OC)c(C)c1 142265249 FNLKIIQHDMRXNV-INIZCTEOSA-N 319.426 3.433 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cc(C)[nH]c1C 222861169 ARMKZEZCWXPXGF-HZPDHXFCSA-N 314.458 3.409 0 40 DGAB Cc1ccc(COC(=O)c2snnc2-c2coc(C)n2)cc1 223860706 LMANJWZQJDVOLF-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB Cc1ccsc1-c1nnc(SCCOCC(F)F)o1 225441814 SRIKXJPYJHOKNW-UHFFFAOYSA-N 306.359 3.480 0 40 DGAB CC(C)Sc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 225459681 JIGGRYGENRIIAS-JTQLQIEISA-N 323.443 3.445 0 40 DGAB CCn1nc(C(C)C)cc1C(=O)N1CCCC[C@@H]1c1ccn[nH]1 257339954 ZDXCESPSBFAWAN-OAHLLOKOSA-N 315.421 3.117 0 40 DGAB O=C(NC[C@H]1CCC[C@@H]1c1ccccc1)c1csc(O)n1 562560708 LSKJDPVLYLERTE-CHWSQXEVSA-N 302.399 3.162 0 40 DGAB COC(=O)c1ccc(C(=O)NCC(C)(C)c2ccsc2)cc1 1565519347 LYXUGOAEPQOYFS-UHFFFAOYSA-N 317.410 3.242 0 40 DGAB C[C@@H]1CCC[C@H](C(=O)O)N1Cc1ccc(Br)cc1 1574266476 MVSKNLQSEWDQPD-ZWNOBZJWSA-N 312.207 3.277 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@H]2CCCCO2)CC1 1889079647 TZFDBWINUPWYHU-OAHLLOKOSA-N 324.852 3.395 0 40 DGAB Cc1cc(NC(=O)c2ccc(NC(=O)CC(C)C)c(F)c2)[nH]n1 78939165 CVSMEKGMIGEBBT-UHFFFAOYSA-N 318.352 3.094 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccncc2F)cs1 78933350 VEYWKPPGTGCWDA-JTQLQIEISA-N 323.393 3.047 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)N[C@@H]2CCCC2(C)C)c1C 79133354 PHFUZWVRJYNQSO-OAHLLOKOSA-N 319.449 3.427 0 40 DGAB N[C@H](CCSC(c1ccccc1)c1ccccc1)C(=O)O 1704299 MXSHINBCSMTRAF-OAHLLOKOSA-N 301.411 3.311 0 40 DGAB O=S(=O)(Nc1ccc2c(c1)oc1ccccc12)N1CCCC1 3624934 IOPHCPKXSULGSG-UHFFFAOYSA-N 316.382 3.339 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)NC1CCC(O)CC1 42961791 QZLZQKUBGFPIFW-YIZWMMSDSA-N 308.447 3.070 0 40 DGAB CCN(Cc1ccco1)C(=O)NC[C@@H](c1cccs1)N(C)C 43145943 NUFVPTLTNQYZCJ-AWEZNQCLSA-N 321.446 3.176 0 40 DGAB CCn1c(NC(=O)c2cccc(N(C)C)c2)nc2ccccc21 10237344 HFBOTZWKCYTQTK-UHFFFAOYSA-N 308.385 3.375 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCc2nc3ccccc3[nH]2)cc1 12529961 QPUNTCARORNUHQ-UHFFFAOYSA-N 322.368 3.093 0 40 DGAB CSCc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCCN2C)cc1 106661408 ZVWRWFCTRUBIDC-DLBZAZTESA-N 318.486 3.248 0 40 DGAB CC(C)CCn1c(=O)n(-c2ccccc2)c(=O)c2ccccc21 8560245 BTCNQXARFNACBJ-UHFFFAOYSA-N 308.381 3.199 0 40 DGAB CCc1nc2n(n1)[C@H](c1ccco1)C=C(c1ccc(OC)cc1)N2 8570209 DTEOJIOMTXZTNL-HNNXBMFYSA-N 322.368 3.498 0 40 DGAB COc1cccc(C(=O)NCCCn2ccc3ccccc32)c1 12561756 GRWKFBUBDKYXOR-UHFFFAOYSA-N 308.381 3.470 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2cc(F)cc(F)c2)cc1 43880575 HIKFYKFGPGLMSZ-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB Cc1nc([C@H](C)NC(=O)c2ccccc2Cl)sc1C(=O)O 95997239 VMECNHODUWHEMZ-QMMMGPOBSA-N 324.789 3.294 0 40 DGAB FC(F)(F)c1cnc(N2CCC3(CC2)OCCO3)c(Cl)c1 26705036 BZUXMCYWPIRPBK-UHFFFAOYSA-N 322.714 3.097 0 40 DGAB O=C(NCc1cccs1)[C@@H](c1ccccc1)N1CCCC1 57777009 HGXVRVJVOPIYKL-MRXNPFEDSA-N 300.427 3.201 0 40 DGAB CC1=NN(c2ccccc2)C(=O)[C@@H]1C(=O)c1ccc(F)c(F)c1 101348346 ZCIWAXBCKLVYEF-HNNXBMFYSA-N 314.291 3.186 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@@H](C)O[C@H](C)C3)cs2)cc1 12781472 GZZVPYFGJHYRBG-CHWSQXEVSA-N 316.426 3.368 0 40 DGAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)[C@H]1CC=CCC1 58218031 JCEHYCYRRQPNNA-FZMZJTMJSA-N 313.319 3.211 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)Nc3nc[nH]n3)s2)c(C)c1 58216735 DDGZEVUSGXPETD-UHFFFAOYSA-N 313.386 3.106 0 40 DGAB COc1ccccc1[C@@H](C)N[C@@H](C(=O)NC1CC1)c1ccccc1 12793332 WXNDXLMCCGRIBY-AUUYWEPGSA-N 324.424 3.366 0 40 DGAB CCCC[C@@H](C)Sc1nc2c(=S)n(C)c(=O)n(C)c2[nH]1 102903034 GSHKIOMIOUHOPF-MRVPVSSYSA-N 312.464 3.000 0 40 DGAB CCc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1 3348197 WTJBRTWHDKQEBS-UHFFFAOYSA-N 317.410 3.343 0 40 DGAB CN(Cc1nnnn1C1CC1)c1ccccc1Oc1ccccc1 58415111 XRFLRQBMDCJSAT-UHFFFAOYSA-N 321.384 3.437 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)N1CCCCCCC1 58426109 DELBMRMSIGNLLR-UHFFFAOYSA-N 317.433 3.495 0 40 DGAB C[C@@H](OC(=O)c1cccc2ccccc12)C(=O)NC1CCCC1 2649622 MARIJBMBPKHEEM-CYBMUJFWSA-N 311.381 3.444 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N1CCC[C@H]1c1ccccc1 12933144 WHPCJYMACRTNCP-INIZCTEOSA-N 305.374 3.352 0 40 DGAB COc1ccc([C@@H]2CCCN2CC(=O)NCc2ccccc2)cc1 12927111 CLQZEOMZYCWZEJ-IBGZPJMESA-N 324.424 3.149 0 40 DGAB FC(F)(F)[C@@H](Cc1ccncc1)NC[C@@H]1Cc2ccccc2O1 95419706 SDQIXHZZIPBAFI-GOEBONIOSA-N 322.330 3.148 0 40 DGAB CC(C)c1nc(CN(C)S(=O)(=O)c2cccs2)cs1 48609605 FSMNLBKLRUVDCV-UHFFFAOYSA-N 316.473 3.149 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2cccc(-n3c(C)c[nH]c3=O)c2)o1 63672657 GCEFDLQWPREGIW-CMDGGOBGSA-N 323.352 3.027 0 40 DGAB Cc1nc(C(=O)N[C@@H](C)c2nc3ccccc3[nH]2)c(C)s1 96118662 QOCVACAKONZTHM-QMMMGPOBSA-N 300.387 3.127 0 40 DGAB O=C(NCc1nc2ccccc2[nH]1)[C@H]1C[C@H]1c1ccccc1F 9318851 JPJXUDJAOTVKQE-STQMWFEESA-N 309.344 3.122 0 40 DGAB Cc1csc(NC(=O)COc2cccc3c2OC(C)(C)C3)n1 6377119 DXGYUYMGTPKHJW-UHFFFAOYSA-N 318.398 3.183 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1cccs1 14043498 HFAXNCUDBCCDKV-BXKDBHETSA-N 318.373 3.190 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1cc2c(cc1O)CCCC2 65617724 PMFHVTBNRXKVBT-UHFFFAOYSA-N 314.385 3.148 0 40 DGAB COc1ccccc1NC(=O)c1nnn(-c2ccc(C)cc2)c1C 4511603 FNKPWTVIRLCOMH-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CC(C)c1ccc(S(=O)(=O)NCc2ccccc2F)cc1 14224894 HOQXIKUUSHLCMB-UHFFFAOYSA-N 307.390 3.428 0 40 DGAB CC(=O)Nc1ccc(SC[C@H](O)COc2ccccc2)cc1 7205872 CNJWGWACTJLNGC-OAHLLOKOSA-N 317.410 3.177 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)N(C)Cc1ccc(Cl)nc1 80912113 RGGQXEWDLZXRME-GFCCVEGCSA-N 303.793 3.194 0 40 DGAB COc1cc(CNC(=O)c2ccc(Cl)cc2)cc(OC)c1 16194915 AQAJXQILIHIKSK-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cn1nc2c(c1NC(=O)c1cc(Cl)ccc1Cl)CCC2 16848298 ZDHKLRUGNAIMLG-UHFFFAOYSA-N 310.184 3.468 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1ccc(F)cc1Cl 70038145 PQYOOLLUASGLMH-IRXDYDNUSA-N 324.827 3.454 0 40 DGAB CS[C@H](C)C(=O)Nc1cccc(Cn2nc(C)cc2C)c1 69739422 JMJOEARCINRBCE-CYBMUJFWSA-N 303.431 3.238 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]cnc2c1)c1ccc(F)cc1F 18015047 IAOFXRQSINSCNA-SECBINFHSA-N 301.296 3.332 0 40 DGAB Cc1cc(C[S@](=O)Cc2cccc(C(F)(F)F)c2)on1 69821064 MLSOYOTZLFXKGW-FQEVSTJZSA-N 303.305 3.451 0 40 DGAB Cc1nc(C)n(C[C@H]2CCCN(CCCc3ccccc3)C2)n1 69951580 YQGBPMSLKCPOGI-IBGZPJMESA-N 312.461 3.240 0 40 DGAB CCN(CC)[C@@H](C(=O)NC1CCSCC1)c1ccccc1 69902602 KPDMRYXRYDICDC-MRXNPFEDSA-N 306.475 3.081 0 40 DGAB O=C(NCc1ccc(F)c(Cl)c1)N[C@H](CO)c1ccccc1 97048125 QIXYNOMJQXSQOG-OAHLLOKOSA-N 322.767 3.012 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](c3ccn[nH]3)C2)s1 72282936 YDELGUBKODNRQH-BFHYXJOUSA-N 315.442 3.289 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)CC[C@H]3CCCO3)C2)n1 72282148 GWIYGTXWWRWRJB-UKRRQHHQSA-N 322.474 3.371 0 40 DGAB COc1ccc(N(C)S(=O)(=O)c2cc(C)ccc2C)cc1 122135386 IDSVRVJLIWUKJS-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB CS[C@@H](C)C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 43037590 XWQCPDTWIQQJRO-NWDGAFQWSA-N 304.415 3.285 0 40 DGAB Cc1cccc(CN(Cc2ccccn2)C(=O)C[C@H]2CCCO2)c1 71900187 KBBKYGWZPIPYAF-LJQANCHMSA-N 324.424 3.488 0 40 DGAB c1ccc(CNC2(c3nnnn3-c3ccccc3)CCCC2)cc1 35622441 BDAKFTCQMJVENG-UHFFFAOYSA-N 319.412 3.221 0 40 DGAB O=C(Cc1ccon1)N(c1cccc2cccnc12)C1CCC1 73618501 IDJMASFDZASUTD-UHFFFAOYSA-N 307.353 3.351 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1 78403828 PCUVZXCGOLPNRR-LBPRGKRZSA-N 302.399 3.152 0 40 DGAB COc1ccc(C(=O)N2CC3(CCCC3)[C@@H]2c2ccccc2)nn1 560476304 ILFWCLAKYPWBQG-KRWDZBQOSA-N 323.396 3.243 0 40 DGAB O=C(c1c[nH]c2cc(Cl)ccc2c1=O)N1CCCCCC1 31813933 NSACMBPFOQSRKI-UHFFFAOYSA-N 304.777 3.198 0 40 DGAB CC(C)Oc1c(I)cc(F)cc1C=O 225271525 DGFBTIWYKNYGKR-UHFFFAOYSA-N 308.090 3.030 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccccc2Cl)cc1 224850087 SLRQSSHJOJHKGZ-UHFFFAOYSA-N 311.790 3.174 0 40 DGAB COc1ccccc1O[C@H](Cc1ccc(C)cc1C)C(=O)O 225026021 JIFATBBPDCWFSD-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1ccccc1O[C@@H](Cc1cc(C)ccc1C)C(=O)O 225028698 DDZPISCVQIJHMF-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB CCC[C@@H](C)NC(=S)Nc1ccc(Br)cn1 225194598 FGDIHKOPAXDSLK-MRVPVSSYSA-N 302.241 3.319 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)[C@@H]3CC=CCC3)cc2)C1 227673828 HRTYOBYRMMYRIO-PBHICJAKSA-N 300.402 3.207 0 40 DGAB CCCO[C@]1(C(=O)Nc2ccc(OC)nc2)CCC[C@H](C)C1 225910506 LZTAEPBTRZMOKE-SUMWQHHRSA-N 306.406 3.404 0 40 DGAB CCOC(=O)CC(=O)Cc1cc(Cl)ccc1Br 199567009 DPYQNBYZGDFWCI-UHFFFAOYSA-N 319.582 3.167 0 40 DGAB COc1cccc(NC(=O)[C@@]2(C)CC(c3ccccc3)=NO2)c1 96192562 KONGAACBJOCJHA-GOSISDBHSA-N 310.353 3.217 0 40 DGAB Cc1cc(C)c(CCNC(=O)[C@@H](C)C2CCOCC2)c(C)c1 96484838 XCCZKMLLQOANJI-INIZCTEOSA-N 303.446 3.333 0 40 DGAB CC(C)(C)c1noc([C@H]2CC(=O)N(C3CCCCCC3)C2)n1 96405245 XHUQDWNRPLTAGI-LBPRGKRZSA-N 305.422 3.406 0 40 DGAB Cc1c(C[S@](C)=O)cccc1NC(=O)c1cc(Cl)ccn1 96408333 HYKHEWXXZDWRCD-OAQYLSRUSA-N 322.817 3.174 0 40 DGAB Cc1cccc(N2CCC(NCCOc3ccccc3)CC2)n1 97096468 IHHXODXGJJTVRB-UHFFFAOYSA-N 311.429 3.027 0 40 DGAB CO[C@@H]1CCN(c2ncc(F)cn2)C[C@@H]1Cc1cccc(C)c1 96208912 DDFRABLKUATZOJ-DOTOQJQBSA-N 315.392 3.008 0 40 DGAB Cc1ccc(C[C@H]2CC[C@@H]3CN(C(=O)c4ccncc4)C[C@@H]32)nc1 257205478 AZGOKWCQSJKTRM-ZHALLVOQSA-N 321.424 3.126 0 40 DGAB Cc1cc(C(N)=O)cc(C)c1OC(=O)c1ccccc1Cl 256050777 GMAYOMIEPDOUKQ-UHFFFAOYSA-N 303.745 3.275 0 40 DGAB CO[C@H]1CCN(c2ccc(NC(=O)c3ccsc3)cc2)C1 96122194 PWFFDQSYWUVCCR-HNNXBMFYSA-N 302.399 3.226 0 40 DGAB C[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1ccc(F)cc1 65522248 WUWKEGSSEPWYBO-ZBEGNZNMSA-N 320.339 3.059 0 40 DGAB O[C@H](c1ccccc1)C1CCN(c2cncc(Cl)n2)CC1 43535334 UJIMVWPSNBKLSN-MRXNPFEDSA-N 303.793 3.080 0 40 DGAB COC(=O)CCCNC(=O)c1cc2c(s1)CCCCCC2 36620008 BTNPUXLKGCFXHS-UHFFFAOYSA-N 309.431 3.090 0 40 DGAB CC(C)Sc1nnc(CN2CCCC2)n1Cc1ccccc1 45965369 SDBKSKUABGVCQB-UHFFFAOYSA-N 316.474 3.423 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)[C@@H](C)CC(C)C 55191321 GJCVHSJLQVBHAG-NSHDSACASA-N 318.446 3.415 0 40 DGAB CC(C)c1cc(NC[C@H]2CCc3ccccc32)n2ncnc2n1 518400948 UTZODQWVKFMPKP-CQSZACIVSA-N 307.401 3.390 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NC[C@@H](c1ccco1)N1CCCC1 105681192 CNHHEWMLNBUHNO-QAETUUGQSA-N 316.445 3.359 0 40 DGAB COc1ccc([C@H]2[C@@H](C(=O)O)CCC(=O)N2CC(C)(C)C)cc1 584906732 XFVGVWSDMFNNSS-HOCLYGCPSA-N 319.401 3.106 0 40 DGAB CN(Cc1ccc(Cl)cc1Cl)C(=O)CC1(N)CCC1 94294467 KQYGEHPSSITFEX-UHFFFAOYSA-N 301.217 3.223 0 40 DGAB c1ccc(CN2CCC(COc3ccc(C4CC4)nn3)CC2)nc1 1775966059 QVECBQFSKARZCQ-UHFFFAOYSA-N 324.428 3.040 0 40 DGAB Cc1cc(NC(=O)CC(C)C)c(=O)n(Cc2ccccc2F)c1 5000857 COBDXPBVADMZNP-UHFFFAOYSA-N 316.376 3.329 0 40 DGAB CC(=O)Nc1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 15421623 LJISDDZZFUOFFM-NSHDSACASA-N 316.332 3.190 0 40 DGAB COC(=O)[C@@H](C)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1237147 LSRFOHRYELFZPI-GFCCVEGCSA-N 324.332 3.400 0 40 DGAB biogenic Clc1ccc(CN2CCC(COc3cnccn3)CC2)cc1 1849141036 ZVYFOCCHIBLVGK-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB CCc1cc(N2CC(n3c(C4CC4)nc4ccccc43)C2)ncn1 1888890784 AOABXMSGXRXPEB-UHFFFAOYSA-N 319.412 3.327 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3C(=O)CCC(F)(F)F)c1 1889108885 HLGMNQLWVAJEMX-FUNVUKJBSA-N 315.339 3.229 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3cccs3)cs2)nn1C 9001721 QVXUHKZRQRSAIP-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(N(C)C)cc2)cc1 30005284 PYXSMRYVALSRMF-CYBMUJFWSA-N 313.401 3.200 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)CN(C)[C@@H]1CCc2ccccc21 40049996 KYDBGAHMYIXSCE-RVKKMQEKSA-N 300.446 3.395 0 40 DGAB COc1ccc(OC)c(/C=C2\N=C(c3ccccc3)OC2=O)c1 59267 HIPBGLRLKCZQDO-PTNGSMBKSA-N 309.321 3.048 0 40 DGAB Cc1ccc(-c2noc(COC(=O)Cc3ccsc3)n2)cc1 21769482 FGVPDCIKPCTUFG-UHFFFAOYSA-N 314.366 3.392 0 40 DGAB CN(C[C@H]1COc2ccccc2O1)C(=O)c1cc2ccccc2[nH]1 32966859 YCSSVXBJJWFVTJ-AWEZNQCLSA-N 322.364 3.080 0 40 DGAB OC1=C2C(=Nc3nonc3N[C@@H]2c2ccc(F)cc2)CCC1 102750622 VSJMDOJGBWLVFB-CYBMUJFWSA-N 300.293 3.444 0 40 DGAB C[C@H](NC(=O)c1ccccc1O)c1ccc(-n2ccnc2)cc1 21920837 JMGNWQCUKOGDDM-ZDUSSCGKSA-N 307.353 3.069 0 40 DGAB O=C(NCCCc1nc2ccccc2[nH]1)NCc1cccs1 22431373 PHACDELLOVWYFZ-UHFFFAOYSA-N 314.414 3.056 0 40 DGAB C[C@@H](NC(=O)c1cccc(C(N)=O)c1)c1cc2ccccc2o1 23056068 KIQMXKCEUVUFSS-LLVKDONJSA-N 308.337 3.023 0 40 DGAB CC(C)(C)c1ccc(C(=O)C[C@H](C(=O)O)N2CCCC2)cc1 44553 IHHWFWNOVHICNC-OAHLLOKOSA-N 303.402 3.106 0 40 DGAB COc1ccc2oc(=O)c3c(c2c1)C[C@@H](C(F)(F)F)S3 187755 VKBZVOBWNVQIJM-JTQLQIEISA-N 302.273 3.381 0 40 DGAB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1cccc(C(=O)O)c1 2302595 RDRKSNUMTIBROZ-RISCZKNCSA-N 321.373 3.241 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c1 3317160 DYOPVUHBLVGEEL-CQSZACIVSA-N 309.365 3.130 0 40 DGAB Cc1cccnc1NC(=O)O[C@@H]1CCN2Cc3ccccc3N=C12 4000469 COOSTMCHHFXMDB-OAHLLOKOSA-N 322.368 3.257 0 40 DGAB biogenic CCCCCNC(=O)c1ccccc1I 4156590 SAYTZNPAJCFHBK-UHFFFAOYSA-N 317.170 3.211 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCc2ccccc21)c1ccco1 4305160 PZXVYVYDOSDUKT-MRXNPFEDSA-N 322.364 3.406 0 40 DGAB CCn1c(SCC(=O)Nc2cc(C)on2)nc2ccccc21 4484438 NIOMBQCVWMLVES-UHFFFAOYSA-N 316.386 3.083 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2ccc(OC)c(Cl)c2)cc1 5463425 JQMJDXUFQPACJQ-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2ccc(Cl)cc2)c1 5497205 AQXPINAIPBKXJD-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)c1ccc(F)cc1F 5672326 PTERUTYJQIWLFB-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB Cc1cc(O)c(SC(F)(F)[C@H](F)C(F)(F)F)c(=O)o1 5722047 QCYHTXABVWADTN-SSDOTTSWSA-N 308.199 3.239 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)Nc1cc(C)cc(C)c1 5937414 MBPPKNJLUZZWRU-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1ccc([C@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c(C)c1 6678343 TTZUZBWTKZASNW-BXUZGUMPSA-N 301.415 3.498 0 40 DGAB CN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1 7218270 NVURPXJLUBOTCV-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)NOCc2ccccc2)cc1 8097067 GCGDRBLHUGPOEY-UHFFFAOYSA-N 307.353 3.042 0 40 DGAB Cc1cc(C)cc(O[C@@H](C)C(=O)N2CC(=O)Nc3ccccc32)c1 8500106 IAQVMZGJHMHYDD-AWEZNQCLSA-N 324.380 3.056 0 40 DGAB CCCNC(=O)c1sc(NC(=O)Nc2ccccc2)nc1C 8770490 ONXHTNUIAQKEQR-UHFFFAOYSA-N 318.402 3.235 0 40 DGAB Cc1cc(C)c(C(=O)Nc2cccc(C(F)(F)F)c2)c(=O)[nH]1 8941166 YRZQONQXHIBKBC-UHFFFAOYSA-N 310.275 3.263 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CC=C(c3ccc(F)cc3)CC2)c1 9747476 OHMRUWHHBSSOBE-UHFFFAOYSA-N 312.344 3.286 0 40 DGAB O=C(CSCc1ccccc1)NCCCN1CCCCCC1 10111099 MNEDOYJAZQSTQG-UHFFFAOYSA-N 320.502 3.302 0 40 DGAB Cc1ccc(NC(=O)c2cnn(-c3ccc(F)cc3)c2N)cc1C 11692195 PWHGLNQQHDSQGO-UHFFFAOYSA-N 324.359 3.463 0 40 DGAB Cc1ccc(NC(=O)Nc2c(C)nc3sccn3c2=O)cc1 11694608 KLJGYIWKDLMRJR-UHFFFAOYSA-N 314.370 3.017 0 40 DGAB CC(C)[C@@H](CNc1nc2ccccc2s1)N1CCOCC1 12913725 FSVLHAHMAFAVSC-CQSZACIVSA-N 305.447 3.065 0 40 DGAB CCOc1ccc(C(=O)N[C@@H](CC(=O)O)c2cccs2)cc1 13389106 FGASEUWBEDBKOL-ZDUSSCGKSA-N 319.382 3.093 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)NCC1CCCCC1 14737503 BZTHGWCPHLIEBG-UHFFFAOYSA-N 322.408 3.497 0 40 DGAB Cc1ccccc1CNC(=O)CSc1ncc2ccccn12 19122390 MMMOTMGWSHVXFO-UHFFFAOYSA-N 311.410 3.051 0 40 DGAB CCc1noc(C)c1C(=O)OCc1ccc(-n2cccn2)cc1 20960518 CDAXPERTLLKKCA-UHFFFAOYSA-N 311.341 3.088 0 40 DGAB CCOC(=O)c1cc2cc(C(=O)N3CCCCCC3)ccc2[nH]1 24536971 GBHBYHLTDMILGF-UHFFFAOYSA-N 314.385 3.361 0 40 DGAB Cc1[nH]c2c(C(=O)NCc3cn4ccccc4n3)cccc2c1C 24666479 LVYKYRNBXBJIRY-UHFFFAOYSA-N 318.380 3.362 0 40 DGAB C[C@H](NC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)c1ccccn1 25054914 CSFCTXXDJVDJGL-NSHDSACASA-N 310.332 3.102 0 40 DGAB Cc1cc2nc(NCCNc3ccccn3)c3ccccc3n2n1 26695654 VHYKWEHMMRICOI-UHFFFAOYSA-N 318.384 3.110 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(F)cc3)C2=O)cc1 27791917 OSRZOTUUDQAZFX-INIZCTEOSA-N 312.344 3.132 0 40 DGAB O=C(NC[C@H]1COc2ccccc2C1)c1ccc2ccccc2n1 28072459 DGDVSNLISZAEOR-AWEZNQCLSA-N 318.376 3.216 0 40 DGAB Cc1nc(-c2cccs2)sc1C(=O)O[C@@H]1C[C@@H](C)OC1=O 32741794 ORFFXFJBPIBEAX-VXNVDRBHSA-N 323.395 3.041 0 40 DGAB CCN1CCC[C@H](OC(=O)c2cccc(Br)c2)C1 32962586 HPSATHBPXLFCNB-ZDUSSCGKSA-N 312.207 3.090 0 40 DGAB Cn1nc(-c2ccccc2)cc1C(=O)N1CCc2ccccc2C1 35271455 WOPFDKODURVMNB-UHFFFAOYSA-N 317.392 3.286 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccnc2)on1 35478271 QEMWDLZWFNVBQH-LBPRGKRZSA-N 305.337 3.328 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc3nsnc23)c1C 35672802 DNRUMGUWGDQRAM-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB COc1ccccc1N/C=C1\SC(=O)N(CC(C)C)C1=O 36636217 AJWKLRWJYJUJKE-JYRVWZFOSA-N 306.387 3.300 0 40 DGAB CC(C)(C)NC(=O)N1CCC(c2nnc(C3CC3)s2)CC1 38666640 BIPDSYPASZMIOK-UHFFFAOYSA-N 308.451 3.103 0 40 DGAB COc1ccc(NC(=O)CC(C)C)cc1OC[C@@H]1CCCO1 40089027 ZMNBWSCUHKOLPE-AWEZNQCLSA-N 307.390 3.238 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@H](C(F)(F)F)C1 40480983 MFJIFRVILGBRPA-NSHDSACASA-N 304.312 3.025 0 40 DGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NC(C1CC1)C1CC1 41934127 NLDDDFXCEVFPSB-UHFFFAOYSA-N 318.442 3.323 0 40 DGAB Cc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 44947209 AQQXBLVHJPTLKT-OAHLLOKOSA-N 303.427 3.484 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1cc[n+]([O-])cc1 46085462 PAJMVHFZOVNKMF-UHFFFAOYSA-N 316.666 3.245 0 40 DGAB O=C(CN(Cc1ccco1)C1CCCC1)Nc1nccs1 53140538 VTOXQPWYBMIWBC-UHFFFAOYSA-N 305.403 3.119 0 40 DGAB CN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(N(C)C)c(F)c1 57995166 WQQJMFCCOHTNLN-UHFFFAOYSA-N 322.330 3.442 0 40 DGAB CN(C)c1cccc(C(=O)N(CC(F)(F)F)c2ccccn2)c1 58104476 IPVFOMPCEMIHNB-UHFFFAOYSA-N 323.318 3.357 0 40 DGAB C[C@H](Oc1ccc(C(=O)Nc2cn[nH]c2)cn1)c1ccccc1 59402835 JPCKQXXSFJWMTP-LBPRGKRZSA-N 308.341 3.197 0 40 DGAB Cc1ccc(NC(=O)NC2(c3noc(C)n3)CCCC2)cc1 69421181 MZNVGGAOJCKGPQ-UHFFFAOYSA-N 300.362 3.277 0 40 DGAB CCOCc1cccc(NC(=O)c2cccc3c2OCCO3)c1 69514449 ONUOIXROHOBPDV-UHFFFAOYSA-N 313.353 3.247 0 40 DGAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@H](n2ccnc2)C1 69967596 NGZAYWFWRDGZKZ-KRWDZBQOSA-N 322.412 3.010 0 40 DGAB CC(C)c1nccn1[C@H]1CCCN(C(=O)CC[C@H]2CCCO2)C1 70021680 VBEDUKLLHPWQQM-JKSUJKDBSA-N 319.449 3.129 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)c1 71185421 CVMVZTRKTXXGBN-GOSISDBHSA-N 309.413 3.158 0 40 DGAB Cc1ccc(NC(=S)Nc2cccc(C(N)=O)c2)cc1F 71761685 JZEISDONBRBVLT-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2Cc2csc(C(C)C)n2)c1 71875919 QGCOLVOXPDPKGK-HNNXBMFYSA-N 304.463 3.436 0 40 DGAB C[C@H]1[C@@H](C)SCCN1C(=O)c1ccc(-c2cnco2)cc1 71911086 DMOBUAUORPACCB-NWDGAFQWSA-N 302.399 3.308 0 40 DGAB CC(C)[C@@H](C)NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 72055233 DGHQYUQGNVQNJZ-CQSZACIVSA-N 306.425 3.198 0 40 DGAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)c2ccccc2Cl)C1 72384875 NUWQUFAYDJTVDK-GFCCVEGCSA-N 303.793 3.391 0 40 DGAB c1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 72389898 PUYIGATWCVSXBF-MRXNPFEDSA-N 306.369 3.121 0 40 DGAB Cc1ncsc1C(=O)N[C@@H](C)c1cccc(-n2cccn2)c1 74036592 XJPGDZMDRZNQHU-NSHDSACASA-N 312.398 3.128 0 40 DGAB O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)N[C@H]1CC=CCC1 74331149 BLWPKDMELMJPSY-IXDOHACOSA-N 300.402 3.172 0 40 DGAB O=C(Nc1ccc(OC2CCCC2)c(F)c1)N1CCC[C@@H]1CO 76081812 HDLLYFBELNVJGJ-CYBMUJFWSA-N 322.380 3.136 0 40 DGAB CN(CC(=O)N[C@@H]1C[C@H]2CC[C@]1(C)C2(C)C)C(=O)OC(C)(C)C 78459628 VTLNVTXLJIHLIB-VFVRVIDISA-N 324.465 3.184 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)O[C@H](C)c2nc(C)no2)cc1 78948280 DZFNMQKKUPORQQ-SNVBAGLBSA-N 313.313 3.259 0 40 DGAB CN(CCOCc1ccccc1)C(=O)c1ccc(Cl)cn1 83861006 MEJFZMVKTLAKQA-UHFFFAOYSA-N 304.777 3.024 0 40 DGAB CN1CCC[C@@H](NC(=O)C2c3ccccc3Oc3ccccc32)C1 83877751 FDPFHCWCCCFFJV-CQSZACIVSA-N 322.408 3.135 0 40 DGAB CC(C)[C@H](C(=O)N[C@@H](C)C1CC1)n1cnc2cc(F)c(F)cc21 84409030 YYOQJXORISFUAC-MGPLVRAMSA-N 321.371 3.426 0 40 DGAB NC(=O)[C@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 84519335 KYSRQHQWLJWGHR-GOSISDBHSA-N 324.355 3.402 0 40 DGAB Cc1cnn(-c2ccccc2)c1NC(=O)[C@H]1COc2ccccc21 84563775 VXSADCIEDUGSMQ-INIZCTEOSA-N 319.364 3.295 0 40 DGAB COc1ccc(NC(C)=O)c(NCCCOCC(F)(F)F)c1 86203105 NWHXRKRQHBBXRR-UHFFFAOYSA-N 320.311 3.035 0 40 DGAB NC(=O)c1cccc(CNc2cc(F)ccc2OC(F)F)c1 89774458 ZEMZBIFKKGAVEW-UHFFFAOYSA-N 310.275 3.138 0 40 DGAB C[C@@H](c1nc2ccccc2s1)N(C)C(=O)NC[C@@H]1CCOC1 89913739 ANYHJDJUZZVLJO-RYUDHWBXSA-N 319.430 3.035 0 40 DGAB CC[C@H](c1ccc(Br)cc1)N(C)CCn1cnnc1 89947793 SXDFCFMSMZOMPU-CQSZACIVSA-N 323.238 3.124 0 40 DGAB COCCOC1CCN(Cc2ccc(Cl)c(F)c2)CC1 93339723 WIVMAJRKHPSUMH-UHFFFAOYSA-N 301.789 3.107 0 40 DGAB CO[C@@H]1CCN(Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 96110153 QYEQQIZEIILARP-AZUAARDMSA-N 310.441 3.470 0 40 DGAB CO[C@](C)(CNC(=O)NC1CCCC1)c1cccc(Cl)c1 96393222 VDEDJVKFFLJBMZ-MRXNPFEDSA-N 310.825 3.443 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1ccncc1 96412195 HAWIHHBDVNFJOK-NHYWBVRUSA-N 304.777 3.241 0 40 DGAB CS[C@H]1CCCC[C@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 96416552 DXFYJLWMNHAJBJ-HIFRSBDPSA-N 324.421 3.188 0 40 DGAB COCc1ccc(C(=O)N2CCOC[C@@H]2c2ccccc2)cc1 96433038 DTVYHEBIJGDJJL-GOSISDBHSA-N 311.381 3.047 0 40 DGAB C[S@](=O)C[C@@H](NC(=O)C1CCCCCC1)c1ccccc1 96445538 KVMZFWDVBRSLQE-IIBYNOLFSA-N 307.459 3.193 0 40 DGAB O=C(O)CCc1ccc(NC(=O)c2ccc3cc[nH]c3c2)cc1 97018952 UTICQRAWPWANPC-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB CC[C@]1(C)Oc2ccc(NC(=O)Cn3nc(C)cc3C)cc2O1 97104342 BKEOXEKDIGTYGN-QGZVFWFLSA-N 315.373 3.036 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@H](CCCO)c2ccccc2)c1 97143066 QDRUNQVOCJFRJB-MRXNPFEDSA-N 313.401 3.334 0 40 DGAB Cc1cnc2c(Br)ccc(Br)c2n1 98175254 NZCACLVTYSVXRR-UHFFFAOYSA-N 301.969 3.463 0 40 DGAB CCc1ccccc1NC(=O)COc1cc(OC)cc(OC)c1 123053936 YYKUEIFABIQCEG-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)N[C@@H]2CC=CCC2)o1 184957283 NAUCIQHJUMXZBM-UKRRQHHQSA-N 304.390 3.381 0 40 DGAB CCc1nc2cc(C(=O)Nc3ccccc3OC)ccc2n1C 225896716 ZZOGFQHCKNAITK-UHFFFAOYSA-N 309.369 3.397 0 40 DGAB COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 242688264 VMLLEPXLBJUKPD-SUMWQHHRSA-N 305.374 3.001 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1 257298662 RMUOBRWSFXCXOG-KRWDZBQOSA-N 309.413 3.341 0 40 DGAB CC(=O)NCc1cc([C@H]2CCCN2CCc2ccccc2)ccn1 257314454 UXBJNZUZWFGDCH-HXUWFJFHSA-N 323.440 3.097 0 40 DGAB O=C(O)c1ccccc1-c1ccc(CN[C@H]2CCCC[C@@H]2O)o1 257320589 VXMLPZHSYQUOEI-HOTGVXAUSA-N 315.369 3.038 0 40 DGAB CC[C@H](C)[C@@H](OC)C(=O)Nc1ccc(Br)c(C)n1 331194672 YHWAQLTZBNTICX-QPUJVOFHSA-N 315.211 3.152 0 40 DGAB CCN(CC)c1cc2[nH]c(O)nc2cc1NC(=O)CC(C)C 408533643 OQYKAWQIUMJOAH-UHFFFAOYSA-N 304.394 3.099 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)c1cc2ccccc2o1 575615550 QGWQAILYIDZGCB-UHFFFAOYSA-N 321.336 3.319 0 40 DGAB CCc1cccc(NS(=O)(=O)c2cccc(Cl)c2O)c1 581714578 RFPCBVMOEZZLBK-UHFFFAOYSA-N 311.790 3.409 0 40 DGAB O=C(O)c1cc(-c2ccccn2)c(C(=O)O)cc1-c1ccccn1 1857793270 GYSCDTULDQYKQO-UHFFFAOYSA-N 320.304 3.207 0 40 DGAB O=c1oc2ccccc2cc1-c1nnc(-c2ccccc2O)o1 178597 SZMDHDSWRONFIR-UHFFFAOYSA-N 306.277 3.216 0 40 DGAB CC(=O)Nc1nnc(COc2ccc(C(C)(C)C)cc2)s1 340151 RWZNIRQHDSFVTD-UHFFFAOYSA-N 305.403 3.373 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 1217811 DNSNXIZTHNIXQW-OAACRXHESA-N 305.761 3.110 0 40 DGAB O[C@@H]([C@H](c1ccccc1)N1CCCCC1)[C@H](O)c1ccccc1 1690373 NVPXWDVMTNNNKE-ZCNNSNEGSA-N 311.425 3.308 0 40 DGAB CCOc1ccc(NC(=O)C(=O)c2c[nH]c3ccccc23)cc1 3203314 VTVUOBAWYSWANY-UHFFFAOYSA-N 308.337 3.388 0 40 DGAB Cc1ccc(NC(=O)[C@H](NC(=O)c2ccccc2)C(C)C)cc1 3222635 PTIOVVBLBKGIGG-QGZVFWFLSA-N 310.397 3.388 0 40 DGAB COc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)o2)cc1 3287887 PNBSGGTUBFENCR-UHFFFAOYSA-N 315.354 3.048 0 40 DGAB O=C(CSc1cccc[n+]1[O-])Nc1cccc2ccccc12 3298138 RMYXUVONHDKEFL-UHFFFAOYSA-N 310.378 3.204 0 40 DGAB Cc1cc(I)ccc1NC(=O)C1CCC1 3303066 UBMMCEDZFLALHC-UHFFFAOYSA-N 315.154 3.338 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@@H]1O 5568895 WBSMBQPDMCRAFO-RYUDHWBXSA-N 302.296 3.130 0 40 DGAB COc1cc(CCC(=O)Nc2ccccc2OC)cc(OC)c1 7070063 VUFWXRVLOZRMAK-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB O=C(Oc1ccc2ccc(=O)oc2c1)c1cc(F)cc(F)c1 7802269 YZDDURCEOBTOTN-UHFFFAOYSA-N 302.232 3.290 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)cc1)C1(c2ccccc2)CC1 7842649 NRLXYUIXTUCSOK-UHFFFAOYSA-N 322.408 3.194 0 40 DGAB O=C(N[C@H]1CCSc2ccc(Cl)cc21)c1cnccn1 9051430 HVOSWYKLWPMQKQ-NSHDSACASA-N 305.790 3.097 0 40 DGAB COc1ccc2c(c1)CC[C@@H]([C@H]1OC(=O)c3ccccc31)C2=O 11691432 FEFXLFJQCQUHKV-AEFFLSMTSA-N 308.333 3.352 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)cc1 12217041 IWYHRFDPPJUWJG-UHFFFAOYSA-N 324.380 3.361 0 40 DGAB Cc1cc(N(C)[C@H](C)c2cc3ccccc3o2)n2ncnc2n1 12850350 SWYILRNDJAYLIB-GFCCVEGCSA-N 307.357 3.376 0 40 DGAB NC(=O)[C@@H](OC(=O)c1cccc(C(F)(F)F)c1)c1ccccc1 14073839 ZNCHSBQPKUAWQV-ZDUSSCGKSA-N 323.270 3.089 0 40 DGAB C[C@]1(c2ccc(F)cc2)NC(=O)N(C/C=C/c2ccccc2)C1=O 14135070 QCUJIAHPKGKFPY-MTCRFPMVSA-N 324.355 3.306 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc3c(c2)CCC(=O)N3)cc1 17307469 BAIGPBXPOIYRSC-UHFFFAOYSA-N 310.353 3.222 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)OCCCO2 19173559 OFPJSMKQJRYDRJ-UHFFFAOYSA-N 305.280 3.378 0 40 DGAB O=C(Cc1cccs1)Nc1cc(Cl)ccc1-n1cncn1 24041994 FCOKVBNJFKHKJX-UHFFFAOYSA-N 318.789 3.163 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2)c1 25183359 OPHRWADVQMWIPB-OAHLLOKOSA-N 321.380 3.337 0 40 DGAB O=S(=O)(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1cccs1 25375049 VPDWHHKLOGXZSC-IUCAKERBSA-N 313.366 3.148 0 40 DGAB Cc1ccc(-n2cc(C(=O)Nc3ccc(F)cc3F)nn2)cc1 31732222 XQVMYEHMBGEORY-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB COc1ccc(OC(F)F)c(NC(=O)N[C@H](C)C(C)C)c1 40120582 OHFLEUXNROKFLD-SECBINFHSA-N 302.321 3.463 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(OC[C@@H]2CCCO2)cc1 40457461 CJGZCAHPPTVSGV-PBHICJAKSA-N 303.402 3.259 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(F)c(F)c1 40509254 NROOGYPHTJRCLK-UHFFFAOYSA-N 318.279 3.174 0 40 DGAB CN(Cc1ccc(Cl)s1)C(=O)c1ccc(C(=O)O)s1 42337244 XGWDKUVITBJPBG-UHFFFAOYSA-N 315.803 3.433 0 40 DGAB CCN(CC)CCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1 42845196 NAWBTRSAHGZMHH-MRXNPFEDSA-N 307.413 3.014 0 40 DGAB CCC[C@H](C)N(C)C(=O)Nc1ccc(OC)c(NC(C)=O)c1 44033136 RHKYGPIZGGYXND-NSHDSACASA-N 307.394 3.306 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccccc1SCc1ccco1 44890480 DKWGSRXTQICCPK-ZDUSSCGKSA-N 317.410 3.481 0 40 DGAB Cc1ccccc1CC(=O)N[C@H](c1ccccc1)c1nccn1C 44890758 XAFKAHAUOYKNDZ-LJQANCHMSA-N 319.408 3.177 0 40 DGAB C[C@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1N(C)C 46003763 XQWDLPWAARQJFK-WMLDXEAASA-N 319.449 3.469 0 40 DGAB O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)NC1CCCC1 47727699 XQDAFJBDSNXJKM-UHFFFAOYSA-N 321.808 3.296 0 40 DGAB Cc1ccc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 48367002 HDYDKIOLVMSRRV-CQSZACIVSA-N 307.397 3.425 0 40 DGAB O=C(CCCOc1ccccc1Cl)NCc1ccccn1 50256495 WPBFCQHUBXCROH-UHFFFAOYSA-N 304.777 3.210 0 40 DGAB O=C(c1cc2cc(Cl)ccc2o1)N1CCO[C@H]2CCC[C@@H]21 53379334 CSIICDICOKEDJO-JSGCOSHPSA-N 305.761 3.480 0 40 DGAB COc1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1O 54795168 DAPUCWKJICHJET-UHFFFAOYSA-N 315.413 3.233 0 40 DGAB CCc1ccsc1C(=O)NCc1ccccc1-n1ccnc1 55697099 RXVKPLBFQSVWEZ-UHFFFAOYSA-N 311.410 3.426 0 40 DGAB CCc1nc(N[C@@H](C)c2ccccn2)c2c(n1)c(C)nn2CC 57355815 RSMWZLJYZXTRAH-NSHDSACASA-N 310.405 3.285 0 40 DGAB Oc1[nH]c(=S)nc2c1CN(Cc1ccc(Cl)cc1)CC2 57509336 NLSUDKXFYDRJKS-UHFFFAOYSA-N 307.806 3.056 0 40 DGAB C[C@H](NC(=O)c1ccccc1)c1nc(-c2ccc(F)cc2)no1 58182359 YCCDTOKXUSSGJG-NSHDSACASA-N 311.316 3.367 0 40 DGAB O=C(NC1CCN(Cc2ccc(F)cc2)CC1)C1CCCC1 58391798 DXOZHTNQPHWTQY-UHFFFAOYSA-N 304.409 3.097 0 40 DGAB O=C(NC1CCCCCC1)c1ccc(C(F)(F)F)nc1O 58505179 WWXLWEIAPUVUED-UHFFFAOYSA-N 302.296 3.259 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)c1cc2c(s1)CC[C@H](C)C2 68981500 FSVFRODSCIXQLC-NSHDSACASA-N 317.458 3.267 0 40 DGAB Cc1cnc(CN(C)CCc2ccc(Br)cc2)cn1 69744802 YHDYDOKSGPTJAI-UHFFFAOYSA-N 320.234 3.222 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2Cn2cccn2)c(C)n1C(C)C 69919042 KPSPHBFARCLPIS-INIZCTEOSA-N 314.433 3.187 0 40 DGAB CCN(Cc1cccs1)C(=O)C(=O)c1cc(F)ccc1OC 71882483 ZXNKEKFPRNGOJX-UHFFFAOYSA-N 321.373 3.127 0 40 DGAB OCc1cccc(-n2ccnc2-c2ccnn2-c2ccccc2)c1 72123934 HADDFAXLKRVWGN-UHFFFAOYSA-N 316.364 3.217 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)Cc1cccc(C)c1 72331129 NUWRQUMSHABIPS-UHFFFAOYSA-N 311.381 3.282 0 40 DGAB CN1CCC[C@@H](c2cncc(NCc3cccc(F)c3)n2)C1 72365086 CYCYJDNIBGFDCU-CQSZACIVSA-N 300.381 3.037 0 40 DGAB Cc1nc(C(=O)N2CC[C@H](Cc3ccc4ncccc4c3)C2)co1 72368609 WPOQBMFTIYTICB-OAHLLOKOSA-N 321.380 3.236 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC(c2cccs2)CC1 75157024 PSTMONHTUBAUSE-UHFFFAOYSA-N 315.394 3.497 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2 78403868 PKZFZFPBBZOWOA-GFCCVEGCSA-N 316.426 3.406 0 40 DGAB C[C@H]1CCCN(C(=O)[C@H]2CC(c3cc(F)ccc3F)=NO2)CC1 78651253 LMUBWYKQAOSWSA-MEDUHNTESA-N 322.355 3.106 0 40 DGAB COCc1ccc(C(=O)NC2(c3nc(C)cs3)CCCC2)o1 79034887 QSINOZSGRZUHAZ-UHFFFAOYSA-N 320.414 3.390 0 40 DGAB O=C(NC[C@@H](O)Cc1ccccc1)c1c(Cl)cccc1Cl 84525686 JPFZGXRAVXFKTM-LBPRGKRZSA-N 324.207 3.327 0 40 DGAB Cc1cccc([C@@H]2CC(c3ccccc3)=NN2S(C)(=O)=O)c1 89669364 VMCIBEJUMADQEQ-KRWDZBQOSA-N 314.410 3.106 0 40 DGAB Cc1csc([C@H](NC(=O)[C@@H](C)N2CCCCCC2)C2CC2)n1 89705327 SBIUQBGPXHLNSL-UKRRQHHQSA-N 321.490 3.283 0 40 DGAB COc1ccc(O)c(NC(=O)c2ncccc2C(F)(F)F)c1 92551864 ZJXDJKUTLGIVGE-UHFFFAOYSA-N 312.247 3.067 0 40 DGAB Fc1ccc(Cl)cc1CNc1cnn(C[C@@H]2CCCO2)c1 92564803 PWOVVCNGGVFDGU-AWEZNQCLSA-N 309.772 3.467 0 40 DGAB COCCSCc1cccc(NC(=O)N[C@@H](C)C2CC2)c1 95398084 ZUWBWBXJYSVRCI-LBPRGKRZSA-N 308.447 3.486 0 40 DGAB COc1ccc([C@@H](C)NCCc2ncc(C)s2)c(OC)c1 95423300 DWYQZCGUEHKTDF-GFCCVEGCSA-N 306.431 3.362 0 40 DGAB C[C@H](C(=O)N[C@@H]1CCC[C@@]1(C)CO)c1ccc(Cl)s1 95427210 WJAWDZDOAVVOSH-PXWWUCIGSA-N 301.839 3.172 0 40 DGAB CCSc1cccc(NC(=O)N(C)C[C@H]2CCC[C@@H]2O)c1 95974350 PULVWXFEVVHQLG-DOMZBBRYSA-N 308.447 3.423 0 40 DGAB C[C@@H](NCc1nnc(C2CC2)n1C)c1c(F)cccc1Cl 95985939 SLPCFBBMMMOKTP-SECBINFHSA-N 308.788 3.336 0 40 DGAB CCOc1ccc(CCC(=O)N2CC[C@H]3O[C@@H](C)C[C@H]3C2)cc1 96043634 DIIKZVNZHSFYIY-QILLFSRXSA-N 317.429 3.044 0 40 DGAB c1cnc(N2CCC[C@@]3(CCN(Cc4ccsc4)C3)C2)nc1 96047148 ISJDMJSFPDIIIW-KRWDZBQOSA-N 314.458 3.031 0 40 DGAB COc1c(C)cnc(CN(C)Cc2ccc(Cl)nc2)c1C 96452935 FVEIXRPMAXGZII-UHFFFAOYSA-N 305.809 3.387 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)CCc2ccc(Cl)cc2)C1 97039553 ZUPCUVKGFQTZPK-CQSZACIVSA-N 323.820 3.376 0 40 DGAB Cc1ccoc1C(=O)N[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 97104002 YHGGYRXOYYLKBH-CHWSQXEVSA-N 322.405 3.154 0 40 DGAB O=C(Cc1ccccc1)Nc1cc(NCc2cc[nH]n2)ccc1F 97235386 LNJUXZUWSPGWGF-UHFFFAOYSA-N 324.359 3.342 0 40 DGAB Cc1cc(C)nc(SCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)n1 102182608 QIPGXEQGRMPFOG-AJNGGQMLSA-N 319.474 3.126 0 40 DGAB CCOC(CNCc1ccc(F)c(Br)c1)OCC 105762886 RIKNNBCVBHVTGB-UHFFFAOYSA-N 320.202 3.077 0 40 DGAB COc1ccccc1NC(=O)C[C@@H](C)NC[C@]1(C)CCCS1 120496088 DYGTYTKRLGBZRN-DYVFJYSZSA-N 322.474 3.288 0 40 DGAB COC(=O)C1(C(=O)N(C)[C@@H](C)c2sc(C(C)C)nc2C)CC1 195579201 OMPYPFOBBYMNJA-NSHDSACASA-N 324.446 3.048 0 40 DGAB Cc1cc(Cc2cc(C(F)(F)F)ccc2Cl)c(=O)[nH]n1 199773691 OFGGAGZXNSTKAT-UHFFFAOYSA-N 302.683 3.341 0 40 DGAB Cc1nc(C2CC2)ncc1C(=O)NCc1ccccc1Cl 222560683 DSFDRVFGHJZLAO-UHFFFAOYSA-N 301.777 3.246 0 40 DGAB CCCc1ccc(OCCNC(=O)COc2ccccc2)cc1 223365577 WHBXUZANVXUNKV-UHFFFAOYSA-N 313.397 3.213 0 40 DGAB CCOc1cccc(NC(=S)NCCCN2CCCCC2)c1 225410534 BAGAZESVWDNCHQ-UHFFFAOYSA-N 321.490 3.248 0 40 DGAB COCCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@@H](C)C2)cc1 225636876 PIEJPPRDVWPXEM-RDTXWAMCSA-N 321.417 3.246 0 40 DGAB CO[C@H]1CN(Cc2cccc3cccnc23)CC[C@@]12CCCO2 257226851 FMKZVEMCRMVDRF-HKUYNNGSSA-N 312.413 3.005 0 40 DGAB O=C(c1cccc2cccnc12)N1CCC[C@H](c2cnccn2)C1 257288450 PUFWPBBUONVLSW-HNNXBMFYSA-N 318.380 3.045 0 40 DGAB CN(Cc1nnc(-c2ccccc2)o1)C(=O)CCc1ccccc1 408714093 ILPGNLCYSAIPJE-UHFFFAOYSA-N 321.380 3.328 0 40 DGAB COCc1ccc(CN(C)Cc2cc(C(=O)O)c(C)o2)cc1 573498422 DMXYGPPACJSQIL-UHFFFAOYSA-N 303.358 3.065 0 40 DGAB CCC[C@H](OCC)C(=O)N1CC(Cc2c(F)cccc2F)C1 1545067783 VHGCSKOMIQCSMF-INIZCTEOSA-N 311.372 3.171 0 40 DGAB O=Cc1nc(Br)c(-c2ccc(F)c(Cl)c2)[nH]1 1857794919 VRBHQZVFUYKHAD-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB C[C@H]1C(=O)O[C@@H](c2ccc(Br)cc2)C(C)(C)C1=O 35096 WZMCHFHHRACTST-PELKAZGASA-N 311.175 3.278 0 40 DGAB COc1ccc(/C=C/C(=O)NCCc2ccc(OC)cc2)cc1 247809 CMVWYFVVLCHIOU-KPKJPENVSA-N 311.381 3.076 0 40 DGAB COc1cccc(-c2nnc3n2N=C(c2ccccc2)CS3)c1 531909 HYKZANZABZHFFM-UHFFFAOYSA-N 322.393 3.312 0 40 DGAB O=C(Oc1ccccc1C(=O)O)c1cccc(Br)c1 1681368 SJDPXFSOJYKYDT-UHFFFAOYSA-N 321.126 3.367 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 1934045 BMPAQBCSZZTPTE-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=C(/C=C/c1ccc(Br)o1)NCc1ccccc1 3480521 VQUIIXAHUNFXAE-VQHVLOKHSA-N 306.159 3.372 0 40 DGAB C[C@H](Sc1ncnc2ccccc12)C(=O)NC1CCCC1 3515307 AXGJGAHSYOKILL-NSHDSACASA-N 301.415 3.169 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N2CCc3ccccc32)s1 3544557 OCDLCSZYQRGHCQ-GFCCVEGCSA-N 315.394 3.191 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)s1 3620047 SXPNKWBTKVBRND-UHFFFAOYSA-N 315.394 3.193 0 40 DGAB CCC(=O)N1CCN(c2nc3ccc(Cl)cc3s2)CC1 4583441 AJLGQHBQMXOKGC-UHFFFAOYSA-N 309.822 3.008 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](N[C@@H]3CCC[C@H](C)[C@@H]3C)C2=O)cc1 4648886 FICKTBOMIPGRMD-XJNFMUPTSA-N 314.429 3.041 0 40 DGAB CSc1ccccc1-c1nnc(NC(=O)c2ccco2)o1 5240175 ISFXMNDKDAWHCG-UHFFFAOYSA-N 301.327 3.304 0 40 DGAB C[C@@H](NC[C@@H](O)COc1ccccc1Cl)c1ccccc1 6455709 ZYFHGZJQRRTHOF-UKRRQHHQSA-N 305.805 3.431 0 40 DGAB CSc1ccccc1NC(=O)CN1CCc2ccccc2C1 6467656 YUCSAAQZDICDNN-UHFFFAOYSA-N 312.438 3.405 0 40 DGAB C[C@@H](Sc1ncccn1)C(=O)N[C@@H]1CCCc2ccccc21 6913185 TXUUDZOWVOXOBL-IUODEOHRSA-N 313.426 3.151 0 40 DGAB Cc1nnc(S/C(=C\c2ccc(OC(C)C)cc2)C(=O)O)o1 7603770 GUGGQASPLMPQNY-JYRVWZFOSA-N 320.370 3.383 0 40 DGAB O=C(O[C@@H]1CCOC1=O)c1sc2cc(F)ccc2c1Cl 7654837 VBFWCCSEBHTOPU-MRVPVSSYSA-N 314.721 3.166 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)cc1 8778866 RMSDWCKCQGXKHZ-UHFFFAOYSA-N 319.364 3.212 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCc2ccccc2Cl)c1 9376775 HUZHQTODMIGCQB-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB CC(=O)c1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 9690187 XHDOLRGEWIBCKK-VQHVLOKHSA-N 309.321 3.270 0 40 DGAB COc1cccc(CNC(=O)N2CCc3sccc3C2)c1 9711183 FDXUUUWXSRMOKD-UHFFFAOYSA-N 302.399 3.025 0 40 DGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)NCc1ccccc1 10042805 RWYVDMNIDYUGOS-UHFFFAOYSA-N 314.410 3.335 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)c2ccc(F)cc2)cc1 10110528 RJGFMLTUVQEARB-UHFFFAOYSA-N 307.390 3.045 0 40 DGAB Cc1ccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)cc1 10941364 CAKYZTHTGMPWTE-UHFFFAOYSA-N 323.396 3.394 0 40 DGAB CCOC(=O)c1cc(Cl)c(NC(=O)c2ccco2)cc1OC 11902738 GVZPVHDRFKNDLN-UHFFFAOYSA-N 323.732 3.371 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1cc(-c2cccs2)on1 12235870 INYVPFSGEYUXLL-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB Cc1cc(Br)nc(C)c1I 12359343 DPAHMUFCBJVARG-UHFFFAOYSA-N 311.948 3.066 0 40 DGAB O=C(NCCOc1ccccc1)c1ccc(OC(F)F)cc1 12868548 JEVLXYMWARAGQM-UHFFFAOYSA-N 307.296 3.097 0 40 DGAB CC(=O)c1ccc(-c2ccc(C(=O)NC[C@H]3CCCO3)o2)cc1 12877300 IFEJEYFRYKCQOA-OAHLLOKOSA-N 313.353 3.058 0 40 DGAB C[C@@H](NC(=O)CCNC(=O)Nc1ccccc1)c1ccccc1 12926340 OLBCCZAOKHBIQG-CQSZACIVSA-N 311.385 3.076 0 40 DGAB C[C@H](CNC(=O)c1ccc(C(F)(F)F)nc1O)c1ccccc1 12929451 AJUOSFMAZWZFNO-SNVBAGLBSA-N 324.302 3.340 0 40 DGAB COc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3nc(N)nn32)c1 13131959 ZPYRNJDYCDSVDN-JKSUJKDBSA-N 321.384 3.015 0 40 DGAB aggregator Cc1ccc(S(=O)(=O)N2CCCc3cc(C)ccc32)cc1 14101029 RXXRLSCVUFSKPO-UHFFFAOYSA-N 301.411 3.445 0 40 DGAB Cc1cccc(NC(=O)N2CCN(Cc3ccsc3)CC2)c1 14136450 YMVDMPAOXFTBON-UHFFFAOYSA-N 315.442 3.406 0 40 DGAB CC(C)c1ccc(Cc2n[nH]c(NCc3ccco3)nc2=O)cc1 16806903 SYDSQMABOWRBHP-UHFFFAOYSA-N 324.384 3.084 0 40 DGAB CCCCC(=O)NC(=S)Nc1nc2ccc(O)cc2s1 17032011 CMWNOYAKAWMRRO-UHFFFAOYSA-N 309.416 3.005 0 40 DGAB Nc1ccc2[nH]c(Cc3ccc(Br)cc3)nc2c1 19438083 ZBYIVJYNHOECQV-UHFFFAOYSA-N 302.175 3.498 0 40 DGAB CC1(C)CC(=O)c2cnc(NC(=O)NC3CCCCC3)nc2C1 20633877 CLMCPHLOXGWNMQ-UHFFFAOYSA-N 316.405 3.086 0 40 DGAB COc1ccc(CC(=O)N2c3ccccc3NC(=O)C[C@@H]2C)cc1 21803773 XJJJTBCNTAEJQI-ZDUSSCGKSA-N 324.380 3.002 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)cc1F 22004568 YYQDKHUQPWAJIY-NORZTCDRSA-N 321.392 3.232 0 40 DGAB CC(C)[C@H](C)NC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 22880885 SLCBTVUNELTXMB-AWEZNQCLSA-N 317.433 3.091 0 40 DGAB Cc1cc(COC(=O)c2nn(-c3ccccc3)c3c2CCC3)no1 24969697 KUESEGHONNGXGC-UHFFFAOYSA-N 323.352 3.014 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@@H]2CCCc3c2cnn3C)C1(C)C 24991494 NZTYAXFNSAUJNB-IIAWOOMASA-N 301.434 3.152 0 40 DGAB COc1ccc(-n2ccnc2S[C@@H]2CCCCC2=O)cc1 26048701 LBMSDTHDUZDAFA-OAHLLOKOSA-N 302.399 3.485 0 40 DGAB COc1ccc(CN(C)C(=O)c2sc(C)nc2C)c(OC)c1 30916403 DJQCLWWAPRYWRK-UHFFFAOYSA-N 320.414 3.049 0 40 DGAB CCCCOP(=O)(OCCCC)N1CCC[C@H]1C(=O)O 31829947 AZOUZRQKKVKOFZ-LBPRGKRZSA-N 307.327 3.277 0 40 DGAB O=C(Cc1csc(-c2ccncc2)n1)NCCc1ccccc1 31868115 WTVXLLBXSJSPNG-UHFFFAOYSA-N 323.421 3.107 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCCc2cc(F)c(F)cc21 31927296 MFLSFRCTUZKPPT-UHFFFAOYSA-N 306.312 3.092 0 40 DGAB Cc1ccc(CNC(=O)NCC2(N(C)C)CCCCC2)cc1 32843753 DSZHHFCCQLMPFI-UHFFFAOYSA-N 303.450 3.059 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@@H](C)SC(F)(F)F)s1 33161866 SSIWFCUANPUHBV-RXMQYKEDSA-N 313.322 3.115 0 40 DGAB CCCCc1ccc(C(=O)OC)cc1I 39951764 QSWLXKARCIORJF-UHFFFAOYSA-N 318.154 3.420 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1C 41095631 OWYBBCDINHIDTP-UHFFFAOYSA-N 311.447 3.347 0 40 DGAB C[C@@H]1C[C@H]1C(=O)NCc1cccnc1Oc1cccc(F)c1 43050149 NLYHVGNPVAWQMT-IAQYHMDHSA-N 300.333 3.285 0 40 DGAB O=S(=O)(NC1CCCCC1)c1cc(-c2ccno2)cs1 44894173 GZWWVGYQNVXFMV-UHFFFAOYSA-N 312.416 3.014 0 40 DGAB COc1ccccc1OCC(=O)N(C)[C@@H](C)c1ccccc1F 45191934 PFNZMUOWLZXUSA-ZDUSSCGKSA-N 317.360 3.433 0 40 DGAB C[C@@H]1CN(C(=O)CCCc2nc3ccccc3s2)[C@H](C)CO1 45446780 RRPUUVYQZUISFH-CHWSQXEVSA-N 318.442 3.255 0 40 DGAB CCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Cl)cc1 46288903 CANADNYQMCWGTB-UHFFFAOYSA-N 323.801 3.386 0 40 DGAB CN(C(=O)NC[C@@H]1Cc2ccccc2O1)[C@H]1CCc2ccccc21 46875410 JGBVXCLDYGHRPU-WMZOPIPTSA-N 322.408 3.319 0 40 DGAB CN(C)CCOc1ccc(NC(=O)NCc2cccs2)cc1 47606855 HODYNJHDFZWHSG-UHFFFAOYSA-N 319.430 3.010 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)[C@H]2CCCC[C@@H]21 57083245 XBIKMLWINATLGG-OIISXLGYSA-N 324.428 3.308 0 40 DGAB CC(C)[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(C2CC2)cs1 58004207 YDDJIQIOABZHED-GXTWGEPZSA-N 324.446 3.179 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)CN1CCC[C@@H]1Cc1ccccc1 58029296 SIOJXURDYXCQRR-ZHALLVOQSA-N 314.473 3.483 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H]2C[C@@H]2c2ccccc2)cs1 58229426 PAKDOAWZFDSDKU-CABCVRRESA-N 301.415 3.149 0 40 DGAB Cc1ccc(C(=O)OCc2nc(-c3ccccc3)oc2C)c(=O)[nH]1 62287009 LPWVFBWOXKVHLD-UHFFFAOYSA-N 324.336 3.004 0 40 DGAB CC(=O)N(C)c1ccc(N[C@@H](C)c2nc(C(C)C)no2)cc1 68351540 ZEEXQBMCEQDFIE-NSHDSACASA-N 302.378 3.349 0 40 DGAB C[C@H](CC(=O)Nc1ccccc1-c1nnn[nH]1)CC(C)(C)C 68741322 JKVGKRVXPZYPQI-LLVKDONJSA-N 301.394 3.268 0 40 DGAB COc1ccc(CC[C@@H]2CCCCN2C(=O)C2CC2)cc1OC 69433507 QPGJJEWNPOPAOV-INIZCTEOSA-N 317.429 3.428 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)CC(C)(C)C)co2)cc1 69529393 AGDZTTVRTBXJCB-UHFFFAOYSA-N 316.401 3.445 0 40 DGAB C[C@H](c1ccccc1)N(CC1CC1)C(=O)CCCn1cncn1 69629365 HIWYLRADCBDKGH-OAHLLOKOSA-N 312.417 3.058 0 40 DGAB Cc1cc(CNC(=O)N[C@H](c2ccccc2C)C(C)C)on1 69934030 MQSZNPABNOMZFS-INIZCTEOSA-N 301.390 3.488 0 40 DGAB O=C(Nc1nc(-c2ccccc2)ns1)OCC(F)(F)F 71790915 KILREJRXNFDMHJ-UHFFFAOYSA-N 303.265 3.316 0 40 DGAB in-vitro Cc1nc(-c2cccc(NC(=O)N[C@H](C)[C@H](C)CO)c2)oc1C 71921142 DGNUNBFSTOKFMO-GHMZBOCLSA-N 317.389 3.097 0 40 DGAB Cc1nc(CCNc2ccc3cc[nH]c3n2)nc2c1CCCC2 72158480 LRQYTDZMYAITTJ-UHFFFAOYSA-N 307.401 3.195 0 40 DGAB C[S@@](=O)c1c(Cl)cccc1NC(=O)c1ccccc1F 72310013 YWEILWQPSDOACD-FQEVSTJZSA-N 311.765 3.469 0 40 DGAB O=C(CCCc1nnc2ccccn12)Nc1ccccc1Cl 72402501 NKENXWFFOWSKKB-UHFFFAOYSA-N 314.776 3.344 0 40 DGAB CC1(C)[C@H]2OCC[C@@H]2[C@H]1NC(=O)c1ccc2[nH]c(=S)oc2c1 73937575 GSSUGLUMUQSOSM-WQAKAFBOSA-N 318.398 3.034 0 40 DGAB O=C(NC[C@H]1CCC[C@@H]1O)Nc1cccc(-c2nccs2)c1 76069667 IGFQICJEKGDUNN-OCCSQVGLSA-N 317.414 3.093 0 40 DGAB C[C@@H](C1CC1)N(C)Cc1cn2cc(Br)ccc2n1 76553112 UYPKOKZYHXGPFN-JTQLQIEISA-N 308.223 3.327 0 40 DGAB Cc1oc(-c2ccsc2)nc1CN1CCC[C@H](N(C)C)C1 78642493 RIEXLMZPENQMHX-AWEZNQCLSA-N 305.447 3.238 0 40 DGAB Cc1nn(C)c(Cl)c1CSCC(=O)N1CCCC[C@H]1C 78991014 KFRCGWCWHNVEDV-SNVBAGLBSA-N 315.870 3.016 0 40 DGAB Cc1csc(C2(NCCOC[C@H]3CCCO3)CCCC2)n1 83215905 WKIOBEKKEJHUIQ-CQSZACIVSA-N 310.463 3.006 0 40 DGAB O=C(Nc1cccc(F)c1F)N1CCCC[C@H]1c1ncc[nH]1 84339131 BWEJMFDFVFWZMV-LBPRGKRZSA-N 306.316 3.447 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCc2c(C)noc2C)C1 95411205 ZWPNMBNDVAKAHQ-CHWSQXEVSA-N 311.451 3.107 0 40 DGAB CC(C)c1nnc(/C=C/C(=O)Nc2cc(Cl)ccc2O)o1 95443564 CZZLASDRAGJJKH-AATRIKPKSA-N 307.737 3.204 0 40 DGAB CC(C)n1cc(CCCC(=O)N=c2[nH]cc[nH]2)c2ccccc21 95473217 CQLQPKOAWPKJML-UHFFFAOYSA-N 310.401 3.329 0 40 DGAB Cc1cc(CNCc2ccc(S(C)(=O)=O)c(C)c2)ccc1F 95965729 YUULQOOJYJOROA-UHFFFAOYSA-N 321.417 3.136 0 40 DGAB CC(C)COC1CC2(CCN(C(=O)c3ccncc3)CC2)C1 96159315 ZRMIGJQPPRTNOS-UHFFFAOYSA-N 302.418 3.139 0 40 DGAB Cc1cnc(CNC(=O)NCC[C@@H](C)c2ccccc2)s1 96439651 BIPLCZNEACUEGT-GFCCVEGCSA-N 303.431 3.445 0 40 DGAB CC[C@@H](C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96518089 YDQHCRSFQFKXDV-NSHDSACASA-N 309.214 3.389 0 40 DGAB C[C@@H](NCc1ncccc1C(F)(F)F)C(=O)Nc1ccccc1 97034854 IWMHPEWLZUFIGX-LLVKDONJSA-N 323.318 3.217 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 97046815 DTFVBSITWPTVAU-NSHDSACASA-N 306.328 3.317 0 40 DGAB Cc1nnc(-c2ccccc2-c2nc(-c3ccncc3)no2)o1 97164147 AMEHZEXJKTUKAU-UHFFFAOYSA-N 305.297 3.157 0 40 DGAB CC[C@@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccc(F)cn1 97233921 WXHQVTDONXKUOQ-ZIAGYGMSSA-N 323.412 3.271 0 40 DGAB O=C1C[C@@H](Nc2ccc(Cl)cc2)C(=O)N1c1ccccc1 101275076 URTGJBQAKBYFFQ-CQSZACIVSA-N 300.745 3.084 0 40 DGAB CCCC[C@H](CC)CN1C(=O)[C@@H]2[C@H]3C=C[C@@H](C3)[C@]2(Cl)C1=O 104315708 MBNUDOVYZALAPP-GGOFEBJYSA-N 309.837 3.371 0 40 DGAB O=C(c1ccc(F)cc1)[C@@H]1CCCN(Cc2cscn2)C1 157585690 PPRAEZAYTAFKPW-CYBMUJFWSA-N 304.390 3.377 0 40 DGAB COCC(C)(C)N(Cc1ccccc1)C(=O)c1cscn1 187534898 SCRHPYSYBBJRBZ-UHFFFAOYSA-N 304.415 3.211 0 40 DGAB CCOC(=O)c1cn(CC(C)(C)C)c2ccc(F)cc2c1=O 199726989 QPYZWTVNRJXZLG-UHFFFAOYSA-N 305.349 3.363 0 40 DGAB CS(=O)(=O)c1cc(Cl)c(Br)c(Cl)c1 199751038 HNBGVBYFILFHIJ-UHFFFAOYSA-N 303.992 3.159 0 40 DGAB COc1cccc2cc(C(=O)Nc3cnc4cc(C)nn4c3)oc12 206737876 OJEBWICNTWOWLF-UHFFFAOYSA-N 322.324 3.045 0 40 DGAB CC[C@@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1 224448063 KVWFWONUZIVEPK-QGZVFWFLSA-N 319.351 3.481 0 40 DGAB CC[C@H](Cc1ccc(C)cc1)N(C)C(=O)c1ccc(CN)o1 225473847 COLJVAPEMHMSEG-OAHLLOKOSA-N 300.402 3.140 0 40 DGAB C[C@@H](CN1CCC[C@H]1c1nncn1C)c1cccc(Cl)c1 249464318 GIGSBEMMPNFGKL-WFASDCNBSA-N 304.825 3.409 0 40 DGAB COc1ccccc1C(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257201177 AGQLXPOHATYPHF-QBIMZIAESA-N 303.402 3.115 0 40 DGAB CN1CCC[C@H]1c1ccnc(C(=O)N2CCCCCCC2)c1 257293967 QRWXPGJKAJPCGF-KRWDZBQOSA-N 301.434 3.255 0 40 DGAB CC[C@H](C)Oc1ccc(/C=C2/NC(=O)N(CC)C2=O)cc1Cl 409220473 ADSKRRURPZZTLZ-YWEFTTLKSA-N 322.792 3.430 0 40 DGAB C[C@@H]1CCN(CC(=O)N(C)[C@H](C)c2ccc(F)c(F)c2)C[C@@H]1C 501775662 MHPQCKFVTCRTHT-HZSPNIEDSA-N 324.415 3.462 0 40 DGAB COc1ccc(-c2nc(-c3ccc4nccnc4c3)no2)c(F)c1 546432546 YZWQXRLUQFNWKV-UHFFFAOYSA-N 322.299 3.495 0 40 DGAB O=C(O)[C@H]1CCCCN1Cc1ncc(-c2ccccc2)s1 560927978 UGDBRULQYHEJTH-CYBMUJFWSA-N 302.399 3.249 0 40 DGAB O=C(NCc1ccc(-c2ccco2)o1)c1noc2c1CCCC2 575609385 UFYNXYDMPAYCPV-UHFFFAOYSA-N 312.325 3.336 0 40 DGAB CC[C@@H](CO)C(=O)N[C@H](c1ccccc1)c1ccc(F)cc1 584908781 GZIXZDYIATXJGX-SUMWQHHRSA-N 301.361 3.050 0 40 DGAB O=C(Nc1ccccc1Cl)c1cc(C2CCOCC2)ncn1 1888853043 WPKWCTBIQDXZDB-UHFFFAOYSA-N 317.776 3.276 0 40 DGAB Cc1cnn(C2C[C@@H]3CC[C@H](C2)N3Cc2nc(C(C)C)no2)c1 1889082759 QPSKEPLDVHPVLP-YIONKMFJSA-N 315.421 3.066 0 40 DGAB Cc1cc(OC2CN(Cc3ccc(OC(F)F)cc3)C2)ccn1 1889136238 YRIHWSRHKHFGKB-UHFFFAOYSA-N 320.339 3.255 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(c2ccc(F)cn2)CC1 2086934961 QBTZDLGLUGFQJE-UHFFFAOYSA-N 306.768 3.362 0 40 DGAB CC(C)COC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 240979 RFRDSIHFFPPXML-UHFFFAOYSA-N 323.348 3.300 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 352788 YCGJFIWFNGHVKJ-MSOLQXFVSA-N 317.385 3.064 0 40 DGAB CCS(=O)(=O)c1nc(-c2ccc(F)cc2)cc(C(F)F)n1 2552517 DSPCAEHOPVYWLS-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB O=C1N[C@H](c2c(F)c(F)c(F)c(F)c2F)Nc2ccccc21 3242037 PIDMINWJJVVHDH-CYBMUJFWSA-N 314.213 3.236 0 40 DGAB COC[C@@H](C)Nc1nc(-c2ccc(OC)c(OC)c2)cs1 3378686 QASMZYDRCFRPOK-SNVBAGLBSA-N 308.403 3.274 0 40 DGAB Fc1ccccc1OCc1nnc(S)n1-c1ccccc1 5932451 GJWDTLRKWGLMBS-UHFFFAOYSA-N 301.346 3.274 0 40 DGAB O[C@H](CN[C@@H]1CCCc2ccccc21)COCc1cccs1 6936613 ILAGAXNGVKOPJC-CRAIPNDOSA-N 317.454 3.293 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1ccc2c(c1)-c1ccccc1C2)C(C)C 7285433 NXVCXIWIIZSPOF-IBGZPJMESA-N 322.408 3.357 0 40 DGAB Cc1cc(NS(=O)(=O)c2cccc(Cl)c2Cl)no1 7422864 NDKNBTSZLPBHCR-UHFFFAOYSA-N 307.158 3.091 0 40 DGAB CN(CC(=O)Nc1ccccc1)Cc1nc2ccccc2s1 7688776 SVWXAJYEJAUNGY-UHFFFAOYSA-N 311.410 3.367 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H]2CS[C@@]3(C)CCC(=O)N23)cc1 7842965 UTIHNLQUJYQOLB-YOEHRIQHSA-N 318.442 3.203 0 40 DGAB Cc1ccc(-n2nc3ccc(NC(=O)C(F)(F)F)cc3n2)cc1 8071120 AAARDWLVOLXJOP-UHFFFAOYSA-N 320.274 3.230 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)Nc1ccc(C)cc1O 9217061 ZSJYZPOCAWEQGC-UHFFFAOYSA-N 313.353 3.093 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCCSc2ccccc2)c1C 9315760 INVPXVOONDKRNM-UHFFFAOYSA-N 316.426 3.356 0 40 DGAB Cc1ccc(C2=CCN(C(=O)c3ccc4[nH]nnc4c3)CC2)cc1 9318036 JZMZDEWFKUHYHG-UHFFFAOYSA-N 318.380 3.196 0 40 DGAB CCNC(=S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 9876839 VRQDNXGNWLNVIJ-UHFFFAOYSA-N 318.273 3.010 0 40 DGAB O=C(Nc1noc2ncccc12)c1ccc(C(F)(F)F)cc1 11694959 QTCIOACOKVOMOF-UHFFFAOYSA-N 307.231 3.494 0 40 DGAB CC(C)(C)C(=O)N1CCC[C@@H](c2ncncc2-c2ccncc2)C1 12117176 QTLJBZPUEXROFV-OAHLLOKOSA-N 324.428 3.291 0 40 DGAB COc1cccc(C2(NC(=O)c3snnc3C)CCCC2)c1 12143097 SNYBBJOHRAVKNY-UHFFFAOYSA-N 317.414 3.054 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1ccccc1F)c1ccccc1 12531133 ALHRPSOBCXRFMI-SFHVURJKSA-N 323.371 3.008 0 40 DGAB Cc1cccc(N2CCN(C(=O)/C=C/c3ccsc3)CC2)c1 12543754 UHNWOTUCCUEVKQ-AATRIKPKSA-N 312.438 3.419 0 40 DGAB CCOC(=O)c1cnc(S[C@@H](C)c2ccccc2)nc1N 12557353 BUKCWEZBWJZOGK-JTQLQIEISA-N 303.387 3.089 0 40 DGAB O=C(NCC1CC1)c1cn(-c2ccccc2)nc1-c1cccnc1 12741627 BLDHTNSCIHOALH-UHFFFAOYSA-N 318.380 3.074 0 40 DGAB Cc1ccc2cc(COC(=O)c3cnn(C)c3)c(Cl)nc2c1 12851754 CHRXWNUGOGYCBL-UHFFFAOYSA-N 315.760 3.287 0 40 DGAB Cc1csc(NC(=O)CCc2c(C)nn(CC(C)C)c2C)n1 13003330 RTBTWTXHQFIURH-UHFFFAOYSA-N 320.462 3.492 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(NC(=O)c3ccco3)c2)cn1 13011719 COAQUKGQJOQLNQ-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB Cc1c(C(C)(C)C)s/c(=N/C(=O)c2ccccc2O)n1C 13113858 UTQLEGGHINEVLK-BMRADRMJSA-N 304.415 3.139 0 40 DGAB OC[C@@H]1CCCN(Cc2c(C3CCCC3)[nH]c3ncccc23)C1 13266550 APEUHSUJFXJLLX-CQSZACIVSA-N 313.445 3.425 0 40 DGAB CC(=O)Nc1ccccc1NCc1cc2ccc(C)cc2[nH]c1=O 13564660 NPLWLUMOPIANOW-UHFFFAOYSA-N 321.380 3.407 0 40 DGAB COc1ccc(CNC(=O)c2ccc3cc[nH]c3c2)cc1OC 13628776 OIFFKDIMSHQPPM-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB Cc1c(C(=O)NC[C@@H](c2ccco2)N(C)C)oc2ccccc12 13655669 WPGNJYMATYPSTJ-AWEZNQCLSA-N 312.369 3.367 0 40 DGAB Cc1ccc(S(=O)(=O)NCCCc2cccc(C)c2)cc1 13676146 WEDNZIAUEMFJCL-UHFFFAOYSA-N 303.427 3.215 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C)noc2n1 14205121 NRPDYOGLEHVZPL-UHFFFAOYSA-N 303.268 3.370 0 40 DGAB COc1ccc(OC)c([C@H]2SCC(=O)N2Cc2ccco2)c1 19926968 DFIZZXPNTMQACV-MRXNPFEDSA-N 319.382 3.071 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)NCC1=CCCCC1 22259119 QYTDSAOZOUCKIX-UHFFFAOYSA-N 315.822 3.127 0 40 DGAB CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)Nc1cc(C)cc(C)c1 23702656 HIFDZZSIUPLJIH-LJQANCHMSA-N 322.408 3.215 0 40 DGAB C[C@@H](Nc1ncnc2ccccc12)c1ccc(-n2cncn2)cc1 25150581 SAJGADALXOFWKI-CYBMUJFWSA-N 316.368 3.384 0 40 DGAB CCc1ccc(O)c(-c2cc(C(=O)NCc3ccccc3)[nH]n2)c1 27749976 IJDKHUWQALKLQD-UHFFFAOYSA-N 321.380 3.275 0 40 DGAB COc1ncccc1C(=O)N[C@H]1CCSc2ccccc21 32339308 LNXATLSADWRECW-ZDUSSCGKSA-N 300.383 3.057 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 32402430 TUNDSAYIPIRMJW-VCBZYWHSSA-N 324.428 3.212 0 40 DGAB CC(C)[C@@H](NC(=O)c1[nH]nc2c1CCCC2)c1cccs1 32809674 GGENTUMGPULQOI-CQSZACIVSA-N 303.431 3.477 0 40 DGAB COCSc1nnc(-c2cccnc2)n1Cc1ccccc1 32950181 OPSSTXOAMCUHFI-UHFFFAOYSA-N 312.398 3.084 0 40 DGAB Oc1nc(CN2CC[C@@H]3CCCC[C@@H]3C2)nc2ccsc12 35301250 QMMSDZOFNUYZQF-NWDGAFQWSA-N 303.431 3.409 0 40 DGAB O=C(COc1ccccc1Cl)N1CCOC12CCCCC2 35671158 JYBJSDBJYLRUOW-UHFFFAOYSA-N 309.793 3.238 0 40 DGAB CC(=O)c1ccc(C(=O)NCCOc2cccc(Cl)c2)s1 36391357 SPQAGWPOLVAZDW-UHFFFAOYSA-N 323.801 3.413 0 40 DGAB CCCCN1C(=O)S/C(=C\Nc2ccc(OC)cc2)C1=O 36636203 TYJPNYHOKPMJRY-RAXLEYEMSA-N 306.387 3.444 0 40 DGAB Cc1ccc2sc(NCCCN3CCOCC3)nc2c1C 36657631 NJGXHYNHNHEGJT-UHFFFAOYSA-N 305.447 3.047 0 40 DGAB CON(C)C(=O)c1cnn(-c2ccc(Cl)cc2)c1C(C)C 36739352 IKUXXFOTKQQVCH-UHFFFAOYSA-N 307.781 3.283 0 40 DGAB CONC(=O)c1cccnc1Nc1cccc(C(F)(F)F)c1 37127648 PZUYHTIEGKYJEJ-UHFFFAOYSA-N 311.263 3.135 0 40 DGAB CCCCCNC(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 40051416 MUYWNRZNRXZVEX-CQSZACIVSA-N 300.406 3.423 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2c(C)noc2C)cc1OC 40512605 QMBJWSOYPUWTQZ-SNVBAGLBSA-N 318.373 3.190 0 40 DGAB CC(C)NC(=O)Nc1ccccc1C(=O)N1CCCCCC1 44889001 BMCYMXUHZWQLTO-UHFFFAOYSA-N 303.406 3.233 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)c2scnc2C)c1 46765337 JDSDCXQMGZQMLE-CQSZACIVSA-N 302.399 3.437 0 40 DGAB Cc1csc(=O)n1CCN(Cc1ccco1)C1CCCC1 48262574 KMSRMTJBWBOTOQ-UHFFFAOYSA-N 306.431 3.256 0 40 DGAB Cc1cc(N2CCSCC2)ccc1NC(=O)NCC(C)C 51673616 XFIGDJHGXLEPFJ-UHFFFAOYSA-N 307.463 3.326 0 40 DGAB Cc1nnc(CN2CCC[C@@H]2c2cccc(Br)c2)o1 52213633 FCTVTIJMSCFPKF-CYBMUJFWSA-N 322.206 3.478 0 40 DGAB CC(C)c1nc(CN2C(=O)CN(c3ccccc3)C2=O)cs1 54271881 NNZAVGSWSVYLFH-UHFFFAOYSA-N 315.398 3.235 0 40 DGAB COc1c(F)cc(NCC(=O)N[C@H]2CCCC[C@H]2C)cc1F 55893656 RKBZQYMVHUHOQK-YGRLFVJLSA-N 312.360 3.080 0 40 DGAB Cc1occc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55944817 MIYDBDQDTYXGMC-HZPDHXFCSA-N 303.333 3.377 0 40 DGAB CCN1CCC(CNC(=O)C2(c3ccc(F)cc3)CCC2)CC1 57001139 GVNWCVYQQDGJJP-UHFFFAOYSA-N 318.436 3.096 0 40 DGAB COc1ccccc1[C@H](C)N[C@@H](C)C(=O)N1CCc2ccccc21 57421372 XULYQYLHFKCNJN-GJZGRUSLSA-N 324.424 3.324 0 40 DGAB Cc1ccc(CN(C[C@@H](O)c2ccc3c(c2)OCO3)C2CC2)o1 58202610 COFMQYMDCNMOPT-MRXNPFEDSA-N 315.369 3.015 0 40 DGAB Cc1ccc(CN2CCC(CC(=O)N3CCCC3)CC2)cc1 61049302 ZCACXHDIQAHRTM-UHFFFAOYSA-N 300.446 3.220 0 40 DGAB Cn1ccnc1SCC(=O)Nc1ccc2c3c(cccc13)CC2 65858821 PWDNPVPLWXYVFG-UHFFFAOYSA-N 323.421 3.403 0 40 DGAB O=C(CCc1ccc(Cl)s1)N[C@@H]1CCN2CCCC[C@H]12 69414703 YMLXGAZDSCTJJG-CHWSQXEVSA-N 312.866 3.077 0 40 DGAB COCC(=O)N[C@@H](C)c1sc(-c2ccc(C)cc2)nc1C 69586674 CGVATSGSIQMGFU-NSHDSACASA-N 304.415 3.251 0 40 DGAB Cc1cc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)on1 69821061 MLSOYOTZLFXKGW-HXUWFJFHSA-N 303.305 3.451 0 40 DGAB CC(C)C[C@@H]1COCCN1C(=O)c1ccc(-c2cnco2)cc1 71040826 JCBHKVXXMRQBRM-MRXNPFEDSA-N 314.385 3.229 0 40 DGAB Cc1ccc(CSc2nc3ccccc3c(=O)n2N)cc1C 71327697 WMVFASDCQZVQJH-UHFFFAOYSA-N 311.410 3.019 0 40 DGAB Cc1cc(C[S@@](=O)Cc2ccccc2C(F)(F)F)no1 71846913 WOWJUMXUMSRIAC-HXUWFJFHSA-N 303.305 3.451 0 40 DGAB c1cnc(Nc2nccnc2[C@H]2CCCN2C2CCCC2)nc1 72363428 CKTCISJCGWOTGW-CQSZACIVSA-N 310.405 3.090 0 40 DGAB CC[C@@](C)(NCC(=O)NCc1sccc1C)c1nccs1 72684212 FKXOKEOFUXJNBL-OAHLLOKOSA-N 323.487 3.044 0 40 DGAB O=C(Nc1cc(-c2ccco2)ccc1F)c1nccn2ccnc12 74088121 IEWKKKUAFCAQKB-UHFFFAOYSA-N 322.299 3.381 0 40 DGAB CNc1nc(CNc2ncnc3c2oc2ccccc23)cs1 76061291 RHMLYPCDXACBHI-UHFFFAOYSA-N 311.370 3.486 0 40 DGAB Cc1nccc2nc(Cl)c(I)cc12 81213596 SIQXQAGZZMBTNP-UHFFFAOYSA-N 304.518 3.196 0 40 DGAB CCOC(=O)NCc1cc(-c2ccncc2)n(C2CCCC2)n1 85556415 JIDUTIYEHUJZBZ-UHFFFAOYSA-N 314.389 3.306 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c(C)c1 89612046 FYCYRJWRIVBYRO-NREOILKTSA-N 313.441 3.470 0 40 DGAB CCc1ccsc1C(=O)N1CCC(=O)N(C)c2ccccc21 95399395 SHUTUMXFPLJFOL-UHFFFAOYSA-N 314.410 3.324 0 40 DGAB C[C@H](NC(=O)c1cc(=O)n(C)c2ccccc12)c1cccs1 95949572 YNCMPGGMSJDVDI-NSHDSACASA-N 312.394 3.091 0 40 DGAB Cc1n[nH]c(C(C)C)c1C(=O)NCCc1cccc2cccnc12 95978216 PMEURSDWGSBPFT-UHFFFAOYSA-N 322.412 3.362 0 40 DGAB CN(Cc1cccnc1)[C@H](CO)c1cccc(Br)c1 95980919 YNGAVCWZEREFAN-OAHLLOKOSA-N 321.218 3.010 0 40 DGAB CC(=O)Nc1ccccc1CNc1nnc(CC(C)(C)C)o1 95992342 PLJVMRJOZANEAO-UHFFFAOYSA-N 302.378 3.229 0 40 DGAB CC1(C)CCN(C(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c2ccccc21 96100836 RMWIIMFQNFCQMW-KGLIPLIRSA-N 313.397 3.368 0 40 DGAB O=C(Nc1ccccc1)c1nnn(Cc2ccccc2)c1Cl 96183297 FMTSWAICBYISAR-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CC(C)N(C)Cc1cnc2n1CCN(Cc1cccs1)[C@@H]2C 96201196 VGCPGCZZAOOIQF-CQSZACIVSA-N 318.490 3.362 0 40 DGAB Cc1nc([C@H]2COCCN2C(=O)CC2=CCCCC2)cs1 96220127 AIRUBGOAFVXBPD-OAHLLOKOSA-N 306.431 3.242 0 40 DGAB COc1ccsc1C(=O)NCCc1nc2c(C)cccc2o1 96433331 MBDNHZVCFKKCGO-UHFFFAOYSA-N 316.382 3.179 0 40 DGAB C[C@H](C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1)c1ccsc1 96479600 HVZAPKVHCZBPTI-IINYFYTJSA-N 321.373 3.323 0 40 DGAB Cc1nc2n(n1)CCC[C@H]2NC(=O)Nc1c(C)cccc1Cl 97161904 NCFFHSBRDOKVFF-GFCCVEGCSA-N 319.796 3.205 0 40 DGAB C/C(=C/c1ccccc1)[C@H]1NC(N)=Nc2nc3ccccc3n21 97998066 YSUVMVPFDVAORU-JNSOCZORSA-N 303.369 3.188 0 40 DGAB COc1cccc(C2=C[C@H](c3ccc(F)cc3)n3ncnc3N2)c1 100990260 GTDFWWZRLVQIGN-QGZVFWFLSA-N 322.343 3.482 0 40 DGAB COc1cccc(N2CC(O)=C(c3nc(C)cs3)C2=N)c1 102740617 QTXBDOJVZUNASM-UHFFFAOYSA-N 301.371 3.227 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCS[C@H](C)[C@@H]2C)cc1 104095030 IAXFEWBPDHNVRQ-YSDIBMRGSA-N 318.442 3.011 0 40 DGAB COc1cccc([C@@H]2CCCN2CC(=O)N2CCC[C@H](C)C2)c1 105882660 KMGUQQLQUFMAFZ-YJBOKZPZSA-N 316.445 3.091 0 40 DGAB CN(C[C@@H]1CCCO1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O 108064453 NPKQYXUTEDEBMG-VQISRLSMSA-N 316.228 3.062 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@@H]2C3)c2ccccc12 169680719 BVKKIUFWFPTIGS-OAGGEKHMSA-N 322.408 3.172 0 40 DGAB COc1ccc([C@H](NC(=O)Cc2cccnc2)C(F)(F)F)cc1 182590286 VCQKLWCAVRNABU-HNNXBMFYSA-N 324.302 3.053 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2nc(C3CC3)no2)C1 220752961 OAAWVVMVWRPGRA-NSHDSACASA-N 307.394 3.137 0 40 DGAB Cc1cccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C)c1 224414007 HOKOKSFGBRKTGU-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CC(=O)N[C@@H](C)C1CCN(Cc2cc(F)ccc2Cl)CC1 225466700 OCEXTJVUKJPSKE-NSHDSACASA-N 312.816 3.216 0 40 DGAB CCc1nnc(CS[C@H]2CCc3ccccc3NC2=O)s1 225629098 FIKRUETWVZTHHI-LBPRGKRZSA-N 319.455 3.287 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC(Cc2ccncc2)CC1 257225666 FHGJBUCAEHOVDQ-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB O=C1CCC[C@]2(CN(C3CCCCC3)C[C@H]2c2ccccc2)N1 257291490 QHDULVQITQCHMZ-AZUAARDMSA-N 312.457 3.457 0 40 DGAB C[C@@]1(c2nc(CCc3ccc(OC(F)F)cc3)no2)CCCO1 273868543 JZMSRWDLNRNKSK-INIZCTEOSA-N 324.327 3.482 0 40 DGAB CCc1ncsc1NC(=O)[C@@H]1CCC(=O)c2ccccc21 285306487 PCNMSBDBRSANAJ-GFCCVEGCSA-N 300.383 3.404 0 40 DGAB O=C(CCn1cncc(-c2ccccc2)c1=O)c1ccccc1 330032507 OMFZLTSCBMQFQK-UHFFFAOYSA-N 304.349 3.183 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2c(F)cccc2N2CCCC2)o1 331685713 XKLIBOZDSBUKDA-UHFFFAOYSA-N 324.377 3.128 0 40 DGAB CCCC1=NN(C(=O)c2ccccc2F)[C@](O)(C(F)(F)F)C1 408738521 LHSLIJOSASOLAF-CYBMUJFWSA-N 318.270 3.079 0 40 DGAB CCN1C(=O)N/C(=C/c2cccn2-c2ccc(Cl)cc2)C1=O 409231229 IRKOYTRBVGIGNP-GXDHUFHOSA-N 315.760 3.043 0 40 DGAB COC[C@H](NC(=O)[C@H]1C[C@@H](C)CC(C)(C)C1)C1CCOCC1 585113332 PCNTXVCTXANBIP-KBMXLJTQSA-N 311.466 3.007 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(c3ncnc(C)c3C)C2)n1 1775995928 NPNTXBSEVNQSDW-INIZCTEOSA-N 312.417 3.092 0 40 DGAB O=C(CCc1ccccc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1888856753 KNMAFNUHPDNCBE-IRXDYDNUSA-N 309.413 3.210 0 40 DGAB Cc1cc(NC(=O)c2ncnc(C)c2C)ccc1Br 1888864358 VHOUIUSNJQGACD-UHFFFAOYSA-N 320.190 3.417 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccccc1OC 131861 ABZYJEXVRVDVBP-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB COc1ccc(NC(=O)CSc2ccccc2C(=O)O)cc1 240049 NWSBHIGLNBNYDQ-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB COC(=O)c1cn(CC(=O)Nc2ccc(C)cc2)c2ccccc12 356574 QIXLTASZWUYXAE-UHFFFAOYSA-N 322.364 3.375 0 40 DGAB COc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)C1)C2(C)C 468469 RUTVOTPITWJIKI-MSOLQXFVSA-N 301.386 3.419 0 40 DGAB Cc1cnc(C(=O)NC(c2ccccc2)c2ccccc2)cn1 804488 FVNKYCHXHRIOMG-UHFFFAOYSA-N 303.365 3.304 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccccc3)OC2=O)c(OC)c1C 1698458 BNGSGMUIQBOSIZ-PTNGSMBKSA-N 323.348 3.357 0 40 DGAB CCc1ccc(OCCCC(=O)Nc2nnc(CC)s2)cc1 1773455 GMLRCJDVXIAXOZ-UHFFFAOYSA-N 319.430 3.461 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccc(C)c1 1977370 GOPWHIVDXALIOR-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB CCOc1ccc(-n2nnc(C(=O)Nc3ccccc3)c2C)cc1 2713284 OHWAVEOGNKRDPA-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB CC(=O)Nc1ccc(S[C@@H](C)C(=O)NC2CCCC2)cc1 3307609 APIHQBQCUQJMKI-NSHDSACASA-N 306.431 3.184 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@H]2CCCC[C@H]2C)c1C 3316703 XCDHGMPGFJKKFV-CJNGLKHVSA-N 303.402 3.155 0 40 DGAB CC(=O)Nc1ccc(C(=O)COc2ccc(C(C)=O)cc2)cc1 3440786 FYHDKMNOIWPMID-UHFFFAOYSA-N 311.337 3.109 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CC(c3ccc(OC)cc3)=NO2)cc1 5028964 JKTQXGKRUAYKPS-SFHVURJKSA-N 324.380 3.389 0 40 DGAB Cc1c(C(=O)Nc2ccncc2)oc2c1[C@H](O)CC(C)(C)C2 5270425 JYDJOIIFNGNVOP-GFCCVEGCSA-N 300.358 3.241 0 40 DGAB CC[C@H](O)/C(Br)=C(\Br)C(F)(F)F 5467571 PQYUBFOMWYDBEU-QXLVYCLISA-N 311.923 3.321 0 40 DGAB CN(C)CCCNC(=O)CC(c1ccccc1)c1ccccc1 5508959 BPMFYOMUJHMVCR-UHFFFAOYSA-N 310.441 3.277 0 40 DGAB O=C(Cc1csc(-c2ccccc2)n1)NCc1ccccn1 5687581 NKRFUNGXRXONBF-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB Cc1cccc2cc(CN(C(=O)C(C)C)C(C)C)c(=O)[nH]c12 5818544 KSHNNEDJKJKDBL-UHFFFAOYSA-N 300.402 3.230 0 40 DGAB NC(=O)Nc1ccc(C(=O)Nc2ccc(Cl)cc2F)cc1 6508295 XSDLBFGSYUJVCW-UHFFFAOYSA-N 307.712 3.222 0 40 DGAB COCCCNC(=O)c1sc(-c2ccc(C)cc2)nc1C 6669596 ZOGRIQYEWJPTLC-UHFFFAOYSA-N 304.415 3.193 0 40 DGAB CCCCc1ccc(NC(=S)N2CCCN(C)CC2)cc1 7518518 WDPOBPUAVCVOCG-UHFFFAOYSA-N 305.491 3.364 0 40 DGAB CSc1ccc(Cl)c(C(=O)Nc2ccc(C(N)=O)cc2)c1 7770577 CEBXQJNSUCDTFB-UHFFFAOYSA-N 320.801 3.413 0 40 DGAB O=c1c2ccsc2ncn1Cc1coc(-c2ccccc2)n1 8718441 GCAAZEFDBNCROD-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CC(=O)c1cnc(Nc2nc(C)c3ccc(C)cc3n2)nc1C 9089614 FZBPPXGZWOKOGX-UHFFFAOYSA-N 307.357 3.291 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1nnc(CN2CCCC2)s1 9113956 PXBDBWMQCHYQED-UHFFFAOYSA-N 322.821 3.040 0 40 DGAB CC(=O)N[C@@H](C(=O)Nc1ccc(SC(F)F)cc1)C(C)C 9366441 BUNHHCUHFIJLGP-GFCCVEGCSA-N 316.373 3.101 0 40 DGAB Cc1nc2c(c(SCC(=O)c3ccc(F)cc3)n1)CCC2 12016866 VGKKEIANHCUIMM-UHFFFAOYSA-N 302.374 3.388 0 40 DGAB Cc1ccc2c(CC(=O)N3CC(=O)Nc4ccccc43)coc2c1 14123481 HPHCOIRWXGFGKA-UHFFFAOYSA-N 320.348 3.269 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)c1ccc(OCC(F)(F)F)nc1 14302561 NHZSPEBNWKFGLF-ZYHUDNBSSA-N 316.323 3.331 0 40 DGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCCc2ccccc21 15349966 VMOWCFGFBJPALP-HNNXBMFYSA-N 306.409 3.417 0 40 DGAB CCOc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C)cc1 19931438 HKQQOZWWKBUNRT-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB COc1cc(OC)c2cc(C(=O)c3ccccc3O)cnc2c1 20094962 KLWDOLPSOHKTGR-UHFFFAOYSA-N 309.321 3.189 0 40 DGAB COc1ccc(Cl)cc1-c1nn2c(C3CC3)nnc2s1 20745156 ICZIZBSTCHKDJC-UHFFFAOYSA-N 306.778 3.392 0 40 DGAB COc1c(C)cccc1C(=O)NC(=S)Nc1ccc(C)cc1 21596265 YNMSSOWUKXQLDK-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOc1ccc(F)cc1 23142411 YKRGVCHRYUACBI-UHFFFAOYSA-N 323.751 3.297 0 40 DGAB O=S(=O)(Cc1c(Cl)cccc1Cl)N1CCCCC1 26110861 MKVYPSXNNBTAPM-UHFFFAOYSA-N 308.230 3.309 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)Nc2cccc(F)c2)s1 27931681 LIWKCOSXKIVSGR-UHFFFAOYSA-N 307.350 3.193 0 40 DGAB C[C@H](Oc1ccc(F)cc1)C(=O)NCCSCc1ccco1 31252289 VKDPXEWJNXIJSE-LBPRGKRZSA-N 323.389 3.236 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)CCc2ccccc2)c1 31306473 KUDDLRVFKLZTPB-CQSZACIVSA-N 310.397 3.455 0 40 DGAB COc1cccc(CN(C)C(=O)N[C@@H]2CCCC[C@@H]2C)c1OC 32863285 BVJKTIOFESNBFT-DZGCQCFKSA-N 320.433 3.424 0 40 DGAB CC1(C)Oc2cc(NC(=O)c3cccc(F)c3)ccc2NC1=O 46088426 VUTCBNPNRCVTIT-UHFFFAOYSA-N 314.316 3.188 0 40 DGAB Cc1c([C@H](C)NC(=O)c2[nH]c3ccccc3c2Cl)cnn1C 56882623 PCWDJKPCPFXKMC-VIFPVBQESA-N 316.792 3.354 0 40 DGAB CCOCCO[C@@H](C)C(=O)N[C@H](C)c1ccc2ccccc2c1 57421337 WUYWCDMYVQEDOC-CABCVRRESA-N 315.413 3.459 0 40 DGAB Cc1nc(Cl)cc(NCc2cccc(N3CCOC3=O)c2)n1 58406598 IBLVKXLLVXGWCS-UHFFFAOYSA-N 318.764 3.007 0 40 DGAB O=C(OCc1nc2ccccc2[nH]1)C1=Cc2ccccc2OC1 61198629 UEEHWGCKPPYNHJ-UHFFFAOYSA-N 306.321 3.082 0 40 DGAB CCOC(=O)C(=O)Nc1ccc2nc(C3CCCCC3)[nH]c2c1 61721793 LCVNBNXFSYPYPD-UHFFFAOYSA-N 315.373 3.112 0 40 DGAB Cc1[nH]c(SCC(=O)N(C)C2CC2)nc1Cc1ccccc1 63414445 KWPZELKRKKELOH-UHFFFAOYSA-N 315.442 3.022 0 40 DGAB Cc1ccccc1CN(C)C(=O)C[C@@H](C)NC(=O)C1CCCC1 65610692 SRPUXAOMDJEDEB-OAHLLOKOSA-N 316.445 3.038 0 40 DGAB CN(C(=O)c1ccc(-n2cnnc2)cc1)[C@H]1CCc2ccccc21 69483871 HNOFNPPSRABUHV-SFHVURJKSA-N 318.380 3.027 0 40 DGAB C[C@H](c1ccccc1)[C@H](CO)NC(=O)Nc1ccc(F)cc1F 69669777 ZZTCUGJQPHOOBO-BZNIZROVSA-N 320.339 3.251 0 40 DGAB CCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccccc2OC)C1 69874507 JTAHLBRKUNFCQH-LSDHHAIUSA-N 304.434 3.074 0 40 DGAB Cc1ccc2nc(CNC(=O)C3(c4ccc(F)cc4)CC3)cn2c1 71820090 VDGNQXFFJONYOF-UHFFFAOYSA-N 323.371 3.130 0 40 DGAB C[C@H]1CN(C(=O)c2cc(Cl)cn2C)C[C@@H](c2ccccc2)O1 71827223 NPKMQCSRAQIFTI-LRDDRELGSA-N 318.804 3.281 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)n1 71828084 QZMGESIDFBTNFS-UKRRQHHQSA-N 303.431 3.486 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1 71857211 AMHHVHIJJMTZAR-XQQFMLRXSA-N 322.371 3.318 0 40 DGAB CCCCN(C(=O)c1cc(C)no1)c1ccccc1C(=O)OC 71911326 CMKYFASZDYXQPU-UHFFFAOYSA-N 316.357 3.217 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@H]2c2cccc(Cl)c2)cc1 72228030 BRYXSVAPUHOEDQ-JKSUJKDBSA-N 300.789 3.318 0 40 DGAB CCn1nc(C)c(CNc2ncnc3cc(F)c(F)cc23)c1C 76062932 NHWBVPHHALFZME-UHFFFAOYSA-N 317.343 3.353 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccncc2)cc1 78869553 NLBDCBLNKOWCQL-ZDUSSCGKSA-N 316.426 3.229 0 40 DGAB O=C(CSc1ncc[nH]1)Nc1cc(Cl)ccc1Cl 79003998 WDYZLUOTCZXICV-UHFFFAOYSA-N 302.186 3.447 0 40 DGAB CCc1[nH]c2c(I)cccc2c(=O)c1C 82449716 VIDFQPRWQPMITD-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB C[C@H](C(=O)N1CCCCC[C@H]1/C=C/c1ccccc1)n1cncn1 84838996 WBJFMJVWKNWQTN-KBXJCHCYSA-N 324.428 3.324 0 40 DGAB CC(=O)NC(=O)c1ccc(-c2ccc(Br)cc2C)o1 85346769 DKWCZMTYQQLWPU-UHFFFAOYSA-N 322.158 3.294 0 40 DGAB Cc1ccc(CCNC(=O)N(C2CC2)[C@H](C)c2ccco2)cn1 86396314 ZNUQBZKBDGIWHP-CQSZACIVSA-N 313.401 3.461 0 40 DGAB COCCn1ccc(NCc2cccc(-c3ccncc3)c2)n1 89155553 BWPQJFQKOWAOGA-UHFFFAOYSA-N 308.385 3.204 0 40 DGAB CCS[C@@H]1CC[C@]1(O)CNC(=O)c1sccc1C1CC1 89275016 HQZJOFUPDIMWEY-DOMZBBRYSA-N 311.472 3.002 0 40 DGAB O=C(N1C[C@H]2CCC[C@H]2C1)C1(c2cccc(F)c2)CCOCC1 89774866 KZTIHTKDIFDZSV-GASCZTMLSA-N 317.404 3.132 0 40 DGAB Fc1cc(F)cc(Cc2nc3nccc(-c4ccncc4)n3n2)c1 95472087 OVRIKAVYXXVOFQ-UHFFFAOYSA-N 323.306 3.055 0 40 DGAB CO[C@@]1(CNC(=O)c2ccc(Cl)c(Cl)c2)CCSC1 96097612 HASQYIINLPVLEV-CYBMUJFWSA-N 320.241 3.245 0 40 DGAB Brc1cccc(OCCNC[C@H]2CCCS2)c1 96300587 LDIHYTLBLUSLBN-CYBMUJFWSA-N 316.264 3.313 0 40 DGAB COCC[S@@](=O)Cc1cccc(NC(=O)C2CCCCC2)c1 96408239 LTKOGCMCUNSSBO-QFIPXVFZSA-N 323.458 3.101 0 40 DGAB CO[C@@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1c(C)noc1C 96412178 PSCRGOJSVPKUPU-MEBBXXQBSA-N 322.792 3.451 0 40 DGAB CCOc1cc(NC(=O)NCC(C)(C)C[C@H](C)O)ccc1C 96434576 DMJLJGBJSUUPBI-ZDUSSCGKSA-N 308.422 3.312 0 40 DGAB CCCC(=O)Nc1cccc(N[C@H]2C[C@H](C)N(C3CC3)C2)c1 96487562 YESRWVZPZNYVEB-BBRMVZONSA-N 301.434 3.462 0 40 DGAB CCSCCn1ccnc1-c1cncc(Br)c1 97085724 XGLYYIBNXHPTSB-UHFFFAOYSA-N 312.236 3.461 0 40 DGAB COC(=O)CCCC(=O)N1CCC(=Cc2ccccc2)CC1 97141997 ZJQLTQQEMGIUOQ-UHFFFAOYSA-N 301.386 3.036 0 40 DGAB Cn1cccc1[C@H]1COCCN1C(=O)c1ccc(F)cc1Cl 97144191 PWJNOLRRNHLXTM-OAHLLOKOSA-N 322.767 3.031 0 40 DGAB CC1(C)C[C@H](O)C[C@@]2(C)[C@H]1[C@@H](O)C[C@]13C[C@@H](CC[C@@H]12)[C@@](C)(O)C3 100145178 MGTDZPRNONHJLG-HXBGQOBPSA-N 322.489 3.112 0 40 DGAB COc1cccc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)c1 100965130 CUVVZTRKGSZINL-QGZVFWFLSA-N 319.368 3.046 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CCC[C@@H]2CCC[C@H](C)[C@H]21 106830125 NDEOJKBDLQZIEJ-XLWVJDPXSA-N 303.450 3.007 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC(=O)[C@@H]1[C@@H]2CC[C@]2(C)C[C@@H](O)C[C@@H]12 118925149 QISMGWFBZFTTPB-IZDXYOOQSA-N 304.430 3.138 0 40 DGAB C[C@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@@H]2C[C@H]1C2(C)C 195528876 OGHLSNKDEIODIH-OSRDXIQISA-N 302.418 3.375 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CN1CCC(OC[C@@H]2CCOC2)CC1 195575950 PMRZOBMWZYNEMI-ZHALLVOQSA-N 307.478 3.496 0 40 DGAB O=C(c1ccc(-c2cccs2)cc1)N1CC[C@@H](n2ccnn2)C1 206929672 RJSAIVOOHXDMSH-OAHLLOKOSA-N 324.409 3.094 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)NC(C)(C)C 222821960 QOGPRBLHDJAYSI-GFCCVEGCSA-N 324.852 3.382 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1csc(Nc2ccccn2)n1 257263494 LQDYKWDSDQUVEJ-CYBMUJFWSA-N 302.403 3.355 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H]1c1cnccn1 257272409 NCHKLMFOGUTTIE-GOSISDBHSA-N 322.412 3.054 0 40 DGAB OC[C@H](Nc1ccc(C(F)(F)F)cn1)c1cccc(F)c1 390833427 HILOGHVQEPQLNO-LBPRGKRZSA-N 300.255 3.385 0 40 DGAB O=C(Cc1ccccc1Cl)N1CC[C@@H](c2ccccn2)C1 575603962 MUHWGUJZZRQHPQ-CQSZACIVSA-N 300.789 3.294 0 40 DGAB Cc1nc2ccccn2c1-c1nnc(N2CCC[C@@H]2C(C)C)n1C 581071401 MEDYFWDWXPXCHB-CQSZACIVSA-N 324.432 3.063 0 40 DGAB O=C(Cc1coc2ccccc12)N1CCc2ccccc2[C@@H]1CO 585081994 MMGWVTQWWLJVKK-SFHVURJKSA-N 321.376 3.094 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)cc1 144471 LVTJEOZORQRCOE-GJZGRUSLSA-N 305.374 3.303 0 40 DGAB O=C1NC(=O)/C(=C\c2c[nH]c3ccc(Br)cc23)S1 1100723 ZJMRNKDBXYBSQT-XCVCLJGOSA-N 323.171 3.254 0 40 DGAB COc1cccc2sc(-n3c(C)nc4ccccc4c3=O)nc12 1589058 SBHZQFWKHMGMJI-UHFFFAOYSA-N 323.377 3.312 0 40 DGAB S=C(S)N1CCN(c2ccc(Cl)c(Cl)c2)CC1 1648059 LMBHBIBIYROZDM-UHFFFAOYSA-N 307.271 3.330 0 40 DGAB O=C(NCc1ccccc1)c1c(F)c(F)c(F)c(F)c1F 2254861 WLOCBVBSMUWLFY-UHFFFAOYSA-N 301.214 3.312 0 40 DGAB CN(C(=S)NC(=O)[C@@]1(C)CC1(Cl)Cl)c1ccccc1 3281145 IFSUAVMIUGUSKU-GFCCVEGCSA-N 317.241 3.108 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(C(=O)O)cc2)CC1 4287350 LUVXDMFUUZGFST-UHFFFAOYSA-N 321.373 3.163 0 40 DGAB CCCNC(=O)CCCc1nc(-c2ccccc2Cl)no1 4433523 CKNPRNGGWIZSMM-UHFFFAOYSA-N 307.781 3.239 0 40 DGAB CC(C)c1ccc(Nc2nnc(S[C@H](C)C(N)=O)s2)cc1 4835687 JHZRTZOOBGHDBA-SECBINFHSA-N 322.459 3.371 0 40 DGAB Cc1cccc(NC(=O)NC[C@H]2COC3(CCCCC3)O2)c1 4941245 YPWYDPHCQNLGPT-HNNXBMFYSA-N 304.390 3.192 0 40 DGAB COC(=O)c1ccc(NC(=O)c2cc3sccc3n2C)cc1 4971104 SPJSKAAMTRHOJN-UHFFFAOYSA-N 314.366 3.279 0 40 DGAB aggregator O=C(NCCCc1ccccc1)C(=O)Nc1ccccc1Cl 5184289 AVIQORQOIBVQGY-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB COc1ccc(-c2ccc(NC(=O)c3cccs3)cc2)nn1 5259583 PFHPSMWKUVBZDF-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1ccc([C@@H]2SCC(=O)N2c2ccccc2)cc1OC 5880343 GZCLGLUEDLYBNK-KRWDZBQOSA-N 315.394 3.482 0 40 DGAB Cc1cc(C)c(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)c(C)c1 5938896 XOFDSFSWHCHLBX-OAHLLOKOSA-N 314.429 3.341 0 40 DGAB COc1ccc(CCNC(=O)c2ccc(C)c(C)c2)cc1OC 5942594 OKVNVKMPYKOLEV-UHFFFAOYSA-N 313.397 3.293 0 40 DGAB O=c1c2c3c(sc2[nH]c(=S)n1-c1nccs1)CCCC3 6147430 CIFQLVOESHVQRK-UHFFFAOYSA-N 321.452 3.445 0 40 DGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N[C@@H](C)[C@@H]1CCCO1 6741477 XKCOALSLNAEUPI-HUBLWGQQSA-N 311.809 3.099 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1cccc(Cl)c1 7405098 UJSRKWXMZGHCCT-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB CN([C@@H]1CCCc2ccccc21)S(=O)(=O)c1cccs1 8167129 GGJACVYPALBBIP-CQSZACIVSA-N 307.440 3.446 0 40 DGAB Cc1ccc([C@H](CC(=O)O)NC(=O)CCc2cccs2)cc1 8312543 LUKCBOLQSZTQKB-HNNXBMFYSA-N 317.410 3.321 0 40 DGAB CCc1c(C(=O)N[C@@H](C)c2ccccc2)cnn1-c1ccccn1 8715263 YNUAKDQKLLOPQF-AWEZNQCLSA-N 320.396 3.321 0 40 DGAB C[C@H](NC(=O)C1=COCCO1)c1cc(F)c(Cl)cc1Cl 9314277 GBSAVAHNGKJNPI-ZETCQYMHSA-N 320.147 3.198 0 40 DGAB CC(=O)Nc1cccc(C(=O)NCc2cccc(Cl)c2)c1 10027507 JHWJRBCGSAMONU-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB CCOc1ccc(-c2csc(NC(=O)c3ccno3)n2)cc1 10253868 SPYHWLCNUGHSSM-UHFFFAOYSA-N 315.354 3.449 0 40 DGAB CCOc1ccc(C(=O)Nc2onc3c2C[C@H](C)CC3)cc1 11914804 UNAIPFGKMHSQGH-LLVKDONJSA-N 300.358 3.450 0 40 DGAB CNc1ncc(CNC2(c3ccc(Cl)cc3)CCC2)cn1 12361788 BJNWXPQYCPFYDC-UHFFFAOYSA-N 302.809 3.341 0 40 DGAB O=C(c1ccsc1)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 14184671 JWWRTQKNQVVJDG-CQSZACIVSA-N 315.394 3.497 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1cccc(NC(C)=O)c1 14832374 LSPKEUBEYCURAM-ZHACJKMWSA-N 310.353 3.306 0 40 DGAB CCCc1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1 14965014 LZDCSXYOKAIIJO-UHFFFAOYSA-N 319.382 3.138 0 40 DGAB in-vivo CC(C)[C@H](NS(=O)(=O)c1ccc(Cl)nc1)c1ccccc1 15363658 JJZLFTFTSAPABZ-HNNXBMFYSA-N 324.833 3.411 0 40 DGAB O=C(Cc1scnc1-c1cccs1)NCc1ccco1 15840238 LBPUWYWHMQOOTD-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB COc1cc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)cc1OC 16281358 VZWLKLBSQYRGSV-OUCADQQQSA-N 320.458 3.487 0 40 DGAB CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)OC)OCC3=O 22057422 NPOCOYDGCIJCKR-SFHVURJKSA-N 315.369 3.112 0 40 DGAB biogenic,in-vitro CN(C)c1ccc(NC(=O)CCn2ccc3ccccc32)cn1 22420960 XCJRRSZEIXQAJQ-UHFFFAOYSA-N 308.385 3.131 0 40 DGAB CNC(=O)[C@@H](C)OC(=O)c1cc2sc3ccccc3c2s1 23224829 GLIDFOQQDOQHHJ-MRVPVSSYSA-N 319.407 3.407 0 40 DGAB CC1CCC(NC(=O)[C@@H]2CCCN2C(=O)c2cccs2)CC1 27624735 GYNVYYGNNLOLRK-RUXDESIVSA-N 320.458 3.048 0 40 DGAB COc1cccc(CC(=O)N[C@@H]2CCCC[C@@H]2C(F)(F)F)c1 27864309 BCPJZJNMLDZBJN-UONOGXRCSA-N 315.335 3.475 0 40 DGAB CCn1nc(C)cc1NC(=O)[C@@H](C)Oc1ccccc1Cl 28240080 IOQZVQUIIHNEJT-LLVKDONJSA-N 307.781 3.271 0 40 DGAB Nc1nccnc1C(=O)Nc1ccc(SC2CCCC2)cc1 30182577 UCGVZDNHEXMWTO-UHFFFAOYSA-N 314.414 3.346 0 40 DGAB COc1cccc([C@@H](NCc2ccsc2)c2nccn2C)c1 30648120 LZZPFOMMSQHVQZ-MRXNPFEDSA-N 313.426 3.369 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NCc1ccc2c(c1)OCO2 30994566 RCCJMNIRADZWGR-LLVKDONJSA-N 318.398 3.379 0 40 DGAB CN1CCC(N[C@@H](c2ccccc2)c2ccc3c(c2)OCO3)CC1 31811005 ZUXPDOXLRTVBLN-FQEVSTJZSA-N 324.424 3.189 0 40 DGAB Cc1occc1C(=O)Nc1ccc(CC(=O)N2CCCC2)cc1 32000533 MDWXASSVJUDJCO-UHFFFAOYSA-N 312.369 3.005 0 40 DGAB Cc1cccc2c1NC(=O)[C@@]21CC(O)=Nc2c1cnn2C(C)(C)C 32102536 HXLLFTYYWBMLJV-SFHVURJKSA-N 324.384 3.176 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CCc1nc2ccccc2s1 32215747 MVWCSOWSFPASNE-UHFFFAOYSA-N 314.414 3.218 0 40 DGAB COCc1ccc(C(=O)OCc2nc3ccccc3nc2C)o1 32842874 FDPVBKQIKHSCFN-UHFFFAOYSA-N 312.325 3.035 0 40 DGAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(F)c(Cl)c1)C(C)C 32911650 DLRVRSFBFSMROG-GFCCVEGCSA-N 316.760 3.188 0 40 DGAB Cc1ccc(C)c(N2C[C@@H](C(=O)NC3CCCCC3)CC2=O)c1 33936557 FSBKDDPQPUPGCL-HNNXBMFYSA-N 314.429 3.105 0 40 DGAB COc1ccc2sc(C(=O)NC3CC3)c(Cl)c2c1OC 36646422 GWNYTSSESRIJTR-UHFFFAOYSA-N 311.790 3.464 0 40 DGAB Cc1cc(C)nc(S[C@@H](C)C(=O)Nc2nc(C)c(C)s2)n1 39753134 UHOPMVMNMGDCPR-NSHDSACASA-N 322.459 3.286 0 40 DGAB Cc1ccccc1OCCN(C)Cc1noc(CC(C)C)n1 45914653 OHABJUUAZHKKMY-UHFFFAOYSA-N 303.406 3.087 0 40 DGAB C[C@H]1CCC[C@H](NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47085596 JNGPJOJEKFKTBX-ONGXEEELSA-N 317.414 3.306 0 40 DGAB Cc1cc([C@@H](C)NC(=O)c2cc3c(cc2O)OCO3)c(C)s1 48237119 QCWINJSFDOPNSE-SECBINFHSA-N 319.382 3.290 0 40 DGAB C[C@@H](O)CN(Cc1nc(-c2cccs2)no1)c1ccccc1 58425709 AZHXURZWZHSUME-GFCCVEGCSA-N 315.398 3.186 0 40 DGAB c1ccc(Cc2nnc(CN(Cc3ccco3)C3CC3)o2)cc1 63987624 TTYFXCNTXBJZLJ-UHFFFAOYSA-N 309.369 3.418 0 40 DGAB Cc1noc([C@H](C)NC(=O)c2cc(F)c(Cl)cc2Cl)n1 65553593 YCMKGLXQVOHNGX-YFKPBYRVSA-N 318.135 3.315 0 40 DGAB O=C(NCc1ccccc1)c1cc(NCc2cccnc2)ccn1 65627169 AZLBVYRAQOJSKS-UHFFFAOYSA-N 318.380 3.019 0 40 DGAB Cc1cccc(C)c1NC(=O)C[S@@](=O)Cc1cccc(F)c1 66301707 CPLBWKRYFYVXCZ-JOCHJYFZSA-N 319.401 3.330 0 40 DGAB Cc1cc(C(=O)Nc2cc(C(C)(C)C)nn2C(C)(C)C)[nH]n1 66664480 PNXSNGRQAJMRED-UHFFFAOYSA-N 303.410 3.219 0 40 DGAB Cc1c(C(=O)Nc2ccc3nc(C4CC4)sc3c2)cnn1C 69381479 XXPSZBZHGMEXIO-UHFFFAOYSA-N 312.398 3.468 0 40 DGAB COc1c(C)cc(CN(C)C(=O)CC[C@@H]2CCCO2)cc1C 69452960 UFULNCQCHBKCPG-INIZCTEOSA-N 305.418 3.230 0 40 DGAB COc1ccc(N2C(=O)c3ccccc3N[C@@H]2c2ncc[nH]2)cc1 69623161 FEWUZALOGWAZMK-KRWDZBQOSA-N 320.352 3.189 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 70021601 JDYYWCODFKMSGJ-MRXNPFEDSA-N 317.820 3.251 0 40 DGAB Cc1noc(C)c1C(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 71819999 JFVWWXCRZXJKDJ-CQSZACIVSA-N 320.776 3.159 0 40 DGAB Cc1nnc(C2(c3ccc(Br)cc3)CCOCC2)o1 71889805 BMGVXFBHYQSFOW-UHFFFAOYSA-N 323.190 3.237 0 40 DGAB Cc1cccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)c1 72227443 NNNOVXSMYRQRQM-GJZGRUSLSA-N 320.314 3.429 0 40 DGAB Fc1ccc(CN[C@H](Cn2cncn2)c2ccccc2)cc1F 72242445 GYDGPNFRUFLWSM-QGZVFWFLSA-N 314.339 3.087 0 40 DGAB CCc1nc([C@@H]2CCCN(c3nc4cc(C)ccc4o3)C2)no1 72285214 UWWJQCBXZUDARN-GFCCVEGCSA-N 312.373 3.466 0 40 DGAB CC(=O)N1CCC[C@@H](c2cncc(Oc3cccc(C)c3)n2)C1 72361754 XNMDHLOIYTUAKV-OAHLLOKOSA-N 311.385 3.303 0 40 DGAB CC(C)CCOc1ccc(NC(=O)N2CCC[C@@H](CO)C2)cc1 72597430 IJSXOHCJVFRCTR-OAHLLOKOSA-N 320.433 3.348 0 40 DGAB O=C(Nc1nncs1)N(Cc1ccoc1)C1CCCCC1 75489237 ABVKFJKJXSHBKF-UHFFFAOYSA-N 306.391 3.498 0 40 DGAB O=C(C[C@H]1CCCO1)N(Cc1ccc(F)cc1)CC(F)(F)F 76041229 LNAOLYWVFKUEKH-CYBMUJFWSA-N 319.298 3.286 0 40 DGAB C[C@@H](c1nc(C(C)(C)C)no1)N(C)CCOc1ccccc1 78777969 MJLOMHJFSMCJDR-ZDUSSCGKSA-N 303.406 3.439 0 40 DGAB O=C(CN(CC1CCC1)c1ccccc1)NCc1ccccn1 79053431 RPQFGKGWVATODF-UHFFFAOYSA-N 309.413 3.005 0 40 DGAB CC/C=C(/C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 79362193 PCUZDBGOHZQAOS-YHYXMXQVSA-N 305.765 3.363 0 40 DGAB CCN(C(=O)[C@H]1CCCN(Cc2cccc(F)c2)C1)C1CC1 84761075 DVTINYHKGBMBLT-HNNXBMFYSA-N 304.409 3.049 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2ccc3c(c2)ncn3C)C1 89275155 BFNYOMHDAJHAMY-AWEZNQCLSA-N 317.458 3.321 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cnc2ccccc2c1 89919961 KSBQQGUFQJGVBQ-SGTLLEGYSA-N 320.348 3.402 0 40 DGAB O=C(Nc1ccccc1O)c1cc(OCc2ccccc2)no1 90707437 SWMPXMQXSZZROM-UHFFFAOYSA-N 310.309 3.212 0 40 DGAB O=C(O)c1ccccc1C(=O)O[C@@H]1C[C@@H]2C[C@H]1[C@H]1CCC[C@@H]21 95080109 DILXHIQZGJKWQB-PVIIJVKYSA-N 300.354 3.366 0 40 DGAB Cc1ccsc1[C@@H](C)NCCCNC(=O)c1cccc(O)c1 95421572 GWTFYXNVPIRLFS-CYBMUJFWSA-N 318.442 3.233 0 40 DGAB Brc1cnc(N[C@@H]2CCOC3(CCCC3)C2)nc1 95425695 KSDUEPSEOCJBCV-LLVKDONJSA-N 312.211 3.143 0 40 DGAB Cc1ccc(OC2CCN(C(=O)[C@H](N)c3ccccc3)CC2)cc1 95426443 BMQQLIKVYLTWHQ-LJQANCHMSA-N 324.424 3.065 0 40 DGAB COc1ccccc1[C@@H](N)C(=O)N(C)Cc1ccc(Cl)s1 95427986 RRQYPFWXHXADHY-CQSZACIVSA-N 324.833 3.069 0 40 DGAB COc1ccsc1C(=O)N1CCC[C@@H]1c1c(C)n[nH]c1C 95448311 YXPGXELDNWFBQA-LLVKDONJSA-N 305.403 3.074 0 40 DGAB CC(C)c1noc2nc(C3CC3)cc(C(=O)Nc3cc[nH]n3)c12 95959461 CGIJFORAGKMGKA-UHFFFAOYSA-N 311.345 3.199 0 40 DGAB CC(C)c1ccc(N(C)C(=O)[C@H](C)NC(=O)C(C)(C)C)cc1 95966968 KXVWBAKAMSXDLI-ZDUSSCGKSA-N 304.434 3.324 0 40 DGAB CCOc1cccc2cc([C@H](C)NCc3nc(C)no3)oc12 95987880 OIKACWWEOCVHHS-JTQLQIEISA-N 301.346 3.374 0 40 DGAB CCCC(=O)N1CCCC2(CCN(c3cccnc3)CC2)C1 96071853 IBYCTVXSITVVFK-UHFFFAOYSA-N 301.434 3.091 0 40 DGAB CCOC(=O)/C=C(\Nc1ccc(OC)cc1OC)C(F)(F)F 96171746 PTKYTOMSNSZHDT-WQLSENKSSA-N 319.279 3.125 0 40 DGAB CCc1cc(CNC(=O)NCC[C@H](C)c2ccccc2)on1 96421496 JMRQUBPUQPTGQJ-ZDUSSCGKSA-N 301.390 3.230 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)N[C@H]1CCCc2occc21 97017646 LERZNQSTLSHANA-HNNXBMFYSA-N 313.353 3.104 0 40 DGAB CC(C)c1ccccc1OCCN1C(=O)N2CCC[C@]2(C)C1=O 97045875 JSACBEXIDMFDGH-GOSISDBHSA-N 316.401 3.006 0 40 DGAB O=C(OC1CCN(CC(F)F)CC1)c1nccc2ccccc12 97113139 YYNPFTNESRVUQK-UHFFFAOYSA-N 320.339 3.121 0 40 DGAB c1cnc2c(CNC3CCN(c4nccs4)CC3)cccc2c1 97237695 FSXKPVLJSNDJBF-UHFFFAOYSA-N 324.453 3.450 0 40 DGAB CC(C)Cc1ccc(S(=O)(=O)Nc2cccc(F)n2)cc1 97379357 LSZIKIBQALAQPX-UHFFFAOYSA-N 308.378 3.220 0 40 DGAB Cc1ccccc1CNc1nc(O)cc(-c2cc(C3CC3)n[nH]2)n1 100222353 OVNTUXZQQFSWQY-UHFFFAOYSA-N 321.384 3.370 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Sc3cccc(N)c3)C2=O)cc1 103719541 HBFPGTQSIABSHX-HNNXBMFYSA-N 312.394 3.001 0 40 DGAB O=C(COC(=O)C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(F)cc1 104090048 WSFZGISQYONOQR-RWMBFGLXSA-N 305.349 3.134 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2 104492704 JQWADFJXACVBHO-VUQDICHWSA-N 309.494 3.453 0 40 DGAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1cccc(Cl)c1)C(=O)N2 217476934 LRYFFHUOYDEECO-SUMWQHHRSA-N 313.740 3.416 0 40 DGAB COc1ccc(C(=O)N2CCCCC2)cc1COCC(C)C 224452428 GGLNRQZWBMLKBO-UHFFFAOYSA-N 305.418 3.494 0 40 DGAB COc1cc(NC(=O)c2cccc(C)c2)cc2sc(N)nc12 226309663 CFVZQHCDQQWSPT-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB O=C(c1ccco1)N1CC[C@H](c2noc(-c3ccsc3)n2)C1 238969742 ZHMLWJMASYRBDE-JTQLQIEISA-N 315.354 3.021 0 40 DGAB CCOC(=O)c1cc(NC(=O)c2scnc2C)c(F)cc1C 252478564 APNXNVVSRPKRNE-UHFFFAOYSA-N 322.361 3.328 0 40 DGAB CC(=O)N[C@@H]1C[C@H](c2ccc(F)cc2F)O[C@@H]2CCCC[C@@H]12 257218419 DDBRNTXNLPNOFY-RKTXRCNFSA-N 309.356 3.490 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)c3cc(F)cc(F)c3)CC[C@@]2(C)C1 257264226 LTLWBGXHFGMCIU-INMHGKMJSA-N 309.356 3.385 0 40 DGAB O=C(c1cccc2ncccc12)N1CCC[C@@H](c2ccncn2)C1 257322753 WHGIWHNGYIDPEO-CQSZACIVSA-N 318.380 3.045 0 40 DGAB COc1ccccc1C(=O)[C@H](Br)CBr 382690386 HZEQXZZUCKEGDZ-MRVPVSSYSA-N 321.996 3.036 0 40 DGAB c1cn(-c2ccc(CN3CCC[C@H]3[C@@H]3CCCOC3)cc2)cn1 516766594 ZAWFEWHDSIFSLN-MJGOQNOKSA-N 311.429 3.263 0 40 DGAB O=C(NCC1(c2ccccc2)CC1)[C@H]1CCc2cccc(O)c21 561104037 UTKBIBKWQQVDNR-INIZCTEOSA-N 307.393 3.270 0 40 DGAB Fc1cc(CN2C[C@H](C3CC3)[C@H]2C2CC2)ccc1-n1cncn1 582341231 XZPFMHJKCNCRNY-CRAIPNDOSA-N 312.392 3.027 0 40 DGAB CCc1c(C)[nH]c2cccc(I)c2c1=O 685938644 REHHFABVQPYTIE-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB CCCN1CC[C@H]2CC(=O)Nc3cc(C)ccc3OCC[C@H]2C1 1534646727 RGKNYNKGDHFEIR-HOTGVXAUSA-N 316.445 3.454 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCO[C@H](c2ccncc2)C1 1848353123 NTYSZKGNDKGGDT-IBGZPJMESA-N 322.408 3.174 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2nc3cnccc3s2)C1 1889139356 UEMBJVFLLLESPE-GFCCVEGCSA-N 312.398 3.052 0 40 DGAB C[C@H](N[C@@H](CC(=O)c1ccc(F)cc1)C(=O)O)c1ccccc1 44381 KSHWGVIVSLPHCE-LRDDRELGSA-N 315.344 3.203 0 40 DGAB CCCC(=O)Nc1cc(C(F)(F)F)ccc1N1CCOCC1 75425 GTVQWDJBNNLEMM-UHFFFAOYSA-N 316.323 3.281 0 40 DGAB O=c1c2c3c(sc2ncn1Cc1ccc(F)cc1)CCC3 196439 YYGLBPBRVYTAIE-UHFFFAOYSA-N 300.358 3.134 0 40 DGAB Cc1cc(NC(=O)c2cccs2)ncc1NC(=O)C1CC1 1353363 WMTUFRFTRAGXBZ-UHFFFAOYSA-N 301.371 3.052 0 40 DGAB O=C1C[C@H](Cc2ccccc2)C(=O)N1c1nc2ccccc2s1 1443512 MFWVBWRHACIDNC-ZDUSSCGKSA-N 322.389 3.419 0 40 DGAB COc1c(O)ccc(C2=Cc3ccc(O)cc3OC2)c1OC 1584603 JGINXZCTOGQYKS-UHFFFAOYSA-N 300.310 3.048 0 40 DGAB biogenic CCc1nnc(NC(=O)CCCOc2ccc(C)cc2)s1 1773389 OKOYPDYBFPJHBS-UHFFFAOYSA-N 305.403 3.207 0 40 DGAB CCOc1ncccc1C(=O)Nc1ccc2c(C)cc(=O)oc2c1 2725980 UECLTTCHOWHNIS-UHFFFAOYSA-N 324.336 3.147 0 40 DGAB O=C(COC(=O)c1ccc(Cl)c(Cl)c1)NC1CCCC1 3313059 XZNTYMGDICXHBL-UHFFFAOYSA-N 316.184 3.209 0 40 DGAB O=C(CSc1ccc(Cl)cc1)OCC(=O)c1ccc[nH]1 3413304 UHZZZXUJKWLEGK-UHFFFAOYSA-N 309.774 3.186 0 40 DGAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)C1=COCCO1 4275442 ALSQTVDDOLYIGZ-UHFFFAOYSA-N 322.320 3.322 0 40 DGAB CN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(F)c1 5556421 GVHRAVWIOCOHFI-HNNXBMFYSA-N 309.296 3.107 0 40 DGAB O=Cc1ccccc1OCC(=O)Nc1ccc(F)c(Cl)c1 5653094 JINJQAULAAQOJV-UHFFFAOYSA-N 307.708 3.309 0 40 DGAB COc1ccc(CNC(=O)/C=C/c2ccc(F)cc2)cc1OC 7264947 UXHQUMHDTWGHKT-UXBLZVDNSA-N 315.344 3.173 0 40 DGAB O=C(CN1CCC[C@@H]1c1cccs1)NCCc1ccccc1 8184001 CZZJVXWDNZDUKN-MRXNPFEDSA-N 314.454 3.244 0 40 DGAB CCCOc1ccc(S(=O)(=O)NC(C)C)c2ccccc12 8715015 IAEAWIQEWKCTSI-UHFFFAOYSA-N 307.415 3.315 0 40 DGAB COc1ccc(-c2nc(C(=O)Nc3cc(C)on3)cs2)cc1 8945918 WZRNDYKARBYRKB-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB CCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccccc1 9191705 ZSLLIOLEHRDMTR-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB CC(=O)NCCc1ccc(C(=O)c2cc3ccccc3o2)s1 12908295 KRDQMVDOFXNQMN-UHFFFAOYSA-N 313.378 3.404 0 40 DGAB C[C@@H](CNC(=O)c1ccc(C(F)(F)F)nc1O)c1ccccc1 12929445 AJUOSFMAZWZFNO-JTQLQIEISA-N 324.302 3.340 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2CCc3sccc3C2)c1 12944220 GQJJWRCWJPKHHZ-UHFFFAOYSA-N 307.440 3.112 0 40 DGAB COc1ccc(-c2nnc(SC[C@@H]3CCCO3)o2)cc1OC 14183723 MKIOFMOBGHMLHP-NSHDSACASA-N 322.386 3.025 0 40 DGAB CC(C)CC(=O)NC(=S)Nc1ccccc1OC(F)F 14257742 OGHZAGWKVVOYST-UHFFFAOYSA-N 302.346 3.147 0 40 DGAB COc1ccc(OCc2nnc(-c3ccc(OC)cc3)o2)cc1 14808131 QJFXHVQQXAZTGH-UHFFFAOYSA-N 312.325 3.333 0 40 DGAB COc1ccccc1CN(C)CC(=O)N[C@H](C)c1cccs1 15296317 LWOHDRKJXASLRZ-CYBMUJFWSA-N 318.442 3.066 0 40 DGAB COc1ccc(CNC(=O)Nc2cccc(C)c2)cc1OC 18177235 IIFFWBGUGQRYMC-UHFFFAOYSA-N 300.358 3.334 0 40 DGAB COc1ccc(-c2c(C)nn3c(O)c(Cl)c(C)nc23)cc1 18223009 TXMWFHCAXKNFMI-UHFFFAOYSA-N 303.749 3.381 0 40 DGAB CO[C@@H](C(=O)NCCSCc1ccccc1)c1ccccc1 20238608 AIBYWWJVCOASFW-QGZVFWFLSA-N 315.438 3.424 0 40 DGAB Cc1csc(CN2CCN(C(=O)CCC3CCCC3)CC2)n1 21687108 VVSWFNDKRDPJNC-UHFFFAOYSA-N 321.490 3.066 0 40 DGAB COC(=O)c1cc(CN(C)C(=O)c2ccc(Cl)cc2)oc1C 21966115 ISNSTQUJASHUTF-UHFFFAOYSA-N 321.760 3.300 0 40 DGAB C[C@@H](NC(=O)c1ccc([S@](C)=O)cc1)c1ccccc1F 22226517 ABXGLKIXJJOMHT-WSVYEEACSA-N 305.374 3.054 0 40 DGAB O=C(Nc1cc(Cl)ccc1-n1cncn1)c1cccs1 23078105 MHJIUKMWHQEBTE-UHFFFAOYSA-N 304.762 3.235 0 40 DGAB Cn1ccnc1SCc1noc(-c2ccc(Cl)cc2)n1 24754182 FHSZXYUGQAXYSY-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB CC(=O)N1CCc2cc(Nc3ncnc4ccccc34)ccc21 25251876 LWSDPSVYTFRFRG-UHFFFAOYSA-N 304.353 3.282 0 40 DGAB CC(C)(C)c1csc(NS(=O)(=O)c2cccs2)n1 28248098 REKKFWPPHGKINO-UHFFFAOYSA-N 302.446 3.303 0 40 DGAB COc1ccc(-c2csc(CCN3CCCC3=O)n2)cc1F 30447888 AIPBYHFDNDYKNG-UHFFFAOYSA-N 320.389 3.123 0 40 DGAB COc1cc([C@@H](C)NC(=O)C(C)C)ccc1OCC(F)(F)F 31753093 XKMCGKYHODFLTB-SNVBAGLBSA-N 319.323 3.470 0 40 DGAB Cc1ccc(-c2cc(-c3nn4c(C(C)C)nnc4s3)n[nH]2)o1 31808417 NIHMEQAGMULJKR-UHFFFAOYSA-N 314.374 3.268 0 40 DGAB CCOc1ccc(NC(=O)NC[C@H](O)c2ccc(C)cc2)cc1 40095514 IRZPZVFTJDHGQD-KRWDZBQOSA-N 314.385 3.249 0 40 DGAB COc1ccc(NC(C)(C)c2nnnn2-c2cccc(C)c2)cc1 46078316 ZKCBGDBKDCXABY-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB CCN(Cc1ccco1)C(=O)NC[C@@H](c1ccsc1)N(C)C 46347350 VEZGMQAQLJGDKP-HNNXBMFYSA-N 321.446 3.176 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCCc2c1cnn2C(C)(C)C 47281864 VNDKKMHHPGMNLO-CQSZACIVSA-N 301.390 3.347 0 40 DGAB O=C1CCCN1Cc1cccc(C(=O)N2CCCCCCC2)c1 51204583 QXKFVGHBXHPFDY-UHFFFAOYSA-N 314.429 3.215 0 40 DGAB O=C(c1csc(-c2ccccc2)n1)N1CCO[C@@H]2CCC[C@@H]21 53377188 PURPTUATZHXJNA-LSDHHAIUSA-N 314.410 3.204 0 40 DGAB NC(=O)c1cnc(NCc2nc3ccccc3s2)c(Cl)c1 54042920 SMNQZWIWJJVQQB-UHFFFAOYSA-N 318.789 3.056 0 40 DGAB CC(C)CCC(=O)NCC1(c2ccc(F)cc2)CCOCC1 55453814 CXKCTXMAJIKSRU-UHFFFAOYSA-N 307.409 3.426 0 40 DGAB CC(=O)Nc1ccc(Cl)cc1NCc1nc(C(C)C)no1 58190890 ZBNHSRCENZACCC-UHFFFAOYSA-N 308.769 3.417 0 40 DGAB C[C@H](CNC(=O)c1cc2ccccc2o1)CN1CCCCC1 58393569 GBKXGSILUMATFF-CQSZACIVSA-N 300.402 3.285 0 40 DGAB CCc1noc([C@H](C)N(C)CCOc2ccc(Cl)cc2)n1 58605587 HTJDKXNLUXCNAX-NSHDSACASA-N 309.797 3.357 0 40 DGAB Cc1noc(C)c1CC(=O)N(Cc1ccc(F)cc1)C1CC1 65465285 RGRWSBRQTFQLDO-UHFFFAOYSA-N 302.349 3.164 0 40 DGAB Cc1cc(C)n([C@H](C)C(=O)N2CCC(c3ccccc3)CC2)n1 65553130 MDIMRZDSSYMUTB-MRXNPFEDSA-N 311.429 3.467 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)c2scnc2C)cc1 69491107 WLQKZZWBOFRZCJ-NSHDSACASA-N 304.415 3.163 0 40 DGAB Cc1ccc(-c2nc(CN3CCc4c(ncn4C)C3)cs2)o1 69521631 GZACVSUNZXFTOU-UHFFFAOYSA-N 314.414 3.003 0 40 DGAB O=C(Nc1cccc2cnccc12)N[C@H](CO)c1ccccc1 69738726 JHIWZZLHHWUMDR-QGZVFWFLSA-N 307.353 3.090 0 40 DGAB CN(C(=O)C1CC1)c1ccccc1C(=O)N1CCCCCCC1 71819715 BEUCRGNRXZERPN-UHFFFAOYSA-N 314.429 3.466 0 40 DGAB Cc1nc2ccccc2c(C)c1CC(=O)N1CCO[C@@H]2CCC[C@H]21 71823504 YMABBIVEYLMCEL-RTBURBONSA-N 324.424 3.174 0 40 DGAB Cc1ccc(C2(C(=O)N[C@H](C)c3ccncc3)CCOCC2)cc1 72265179 LVFMIQVREUPJTR-MRXNPFEDSA-N 324.424 3.316 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@H](C)SC[C@@H](C)CO 72298269 JYWGSUPJIIHCOZ-ONGXEEELSA-N 301.839 3.337 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1cnn(C(C)(C)C)c1 72298458 OOYIGHQCFQCKBG-OAHLLOKOSA-N 301.438 3.022 0 40 DGAB CCc1nnc(Nc2cccc(C3CCN(C)CC3)n2)s1 72376124 AKZVDPCOJMNEHB-UHFFFAOYSA-N 303.435 3.048 0 40 DGAB C[C@H](O)C[C@@H](C)CNC(=O)Nc1ccc(OCC2CC2)cc1 77712995 WQEZTSMJZWBGHV-OLZOCXBDSA-N 306.406 3.004 0 40 DGAB Cc1nnc([C@H](C)Nc2cccc(COCCOC(C)C)c2)o1 79030099 DWHZPYRNRVZHET-ZDUSSCGKSA-N 319.405 3.493 0 40 DGAB CC(C)(C)c1noc(CSCc2nnc(C(C)(C)C)o2)n1 95412888 KHCIXSUKWCYSLD-UHFFFAOYSA-N 310.423 3.481 0 40 DGAB CN(C)CCSc1ccc(NCc2ccc(CO)o2)cc1 95429117 WUCRMOKTDOUAJY-UHFFFAOYSA-N 306.431 3.038 0 40 DGAB CC(C)Oc1cccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)n1 95438059 SNQWHWIBMKDVCU-HUUCEWRRSA-N 315.373 3.016 0 40 DGAB Cc1cc(C)cc(CCNC(=O)c2nc(C)ncc2Cl)c1 95961446 KSBWJCXGZNCJEE-UHFFFAOYSA-N 303.793 3.028 0 40 DGAB Cn1ccnc1-c1nnc(NCc2ccccc2Cl)s1 95990309 JZPDBLXDMFUXQT-UHFFFAOYSA-N 305.794 3.204 0 40 DGAB C[C@H](NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)[C@@H]1CCOC1 95995055 BJIRPKVCBYFXBX-AXFHLTTASA-N 310.360 3.078 0 40 DGAB c1cc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCC2CCCC2)ccn1 96057914 WAZMDMWSIYDVTJ-IPMKNSEASA-N 316.445 3.020 0 40 DGAB COc1ccccc1NC(=O)[C@@]1(C)CC(c2ccccc2)=NO1 96192554 UDFLMFQKBNKLTD-GOSISDBHSA-N 310.353 3.217 0 40 DGAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2cnccn2)s1 96342958 ADSXAQWZGAHLSZ-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB COC(=O)[C@H](Nc1ccc(CCO)cc1)c1ccccc1Cl 96410435 DPFCQXRQYUACIP-MRXNPFEDSA-N 319.788 3.201 0 40 DGAB CS[C@H](CO)[C@@H](C)Nc1nc(C(F)F)nc2ccccc12 96417321 SAJPSYLGDMNXIS-LDYMZIIASA-N 313.373 3.092 0 40 DGAB C[S@](=O)C[C@@H](NC(=O)CC1=CCCCC1)c1ccccc1 96445385 AHNOQKLSRITQEB-IIBYNOLFSA-N 305.443 3.113 0 40 DGAB C[C@@H]1OCCN(C(=O)Nc2ccccc2OCC2CC2)[C@@H]1C 97048704 XAGJFPKUURYPAB-OLZOCXBDSA-N 304.390 3.117 0 40 DGAB FC1=CCCN(Cc2cc3c(cc2Br)OCO3)C1 97233674 AXXICCUCBJMGHD-UHFFFAOYSA-N 314.154 3.237 0 40 DGAB COc1ccnc(CSCc2cccc(NC(C)=O)c2)c1 127456982 ZPONCIXKSGWPSA-UHFFFAOYSA-N 302.399 3.482 0 40 DGAB Cc1csc2c(N3CCN(c4ccccc4)CC3)ncnc12 189965684 YNGLLZMMIUPOPB-UHFFFAOYSA-N 310.426 3.326 0 40 DGAB C[C@@H]1C[C@H]1C(=O)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 195557813 WSCVARKLVSXGIA-MPKXVKKWSA-N 313.319 3.261 0 40 DGAB CO[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1 206860116 XFHFKLBUBXZQIC-JKJYUFNASA-N 303.402 3.300 0 40 DGAB CCCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 223031195 YHRQFSPRSGJUET-JTQLQIEISA-N 323.443 3.446 0 40 DGAB COc1cc(NC(=S)N[C@@H](C)c2ccc(Cl)cc2)ncn1 225183742 LKGKXLVAWROGDI-VIFPVBQESA-N 322.821 3.186 0 40 DGAB COc1cc(CNC(=O)Cc2cccs2)ccc1OC(C)C 225483017 XQCUJYDRXDMDGE-UHFFFAOYSA-N 319.426 3.403 0 40 DGAB COCCNC(=O)c1cc(N)ccc1NC1CCCCCCC1 225496477 DRLUALCHSLDKCS-UHFFFAOYSA-N 319.449 3.170 0 40 DGAB COc1ccc(CSCC(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1 250591977 ZQXYWHDPMDGOOC-DZKIICNBSA-N 305.443 3.233 0 40 DGAB CC(C)[C@H]1OCC[C@H]1c1nc(COc2ccccc2F)no1 252487729 IAUGYMBPVNNJRI-IAQYHMDHSA-N 306.337 3.316 0 40 DGAB Cc1ccnc([C@H]2CCN(C(=O)c3ccc4oc(C)cc4c3)C2)n1 257260147 LBMDWNUEHGAMHY-HNNXBMFYSA-N 321.380 3.469 0 40 DGAB CN(Cc1nc(C2CC2)nn1C)[C@H]1CCCC[C@H]1C(F)(F)F 569236544 SRKYATPDZDQLGO-NEPJUHHUSA-N 316.371 3.245 0 40 DGAB Cn1c(=O)c(CN2CCCC[C@@H]2C(F)F)cc2ccccc21 577960452 HVTPZKSZUPLGNP-OAHLLOKOSA-N 306.356 3.158 0 40 DGAB C[C@]1(C(=O)N2CCc3ncnc(C4CC4)c3CC2)CC=CCC1 2055730187 JRABBPZIVDJVQA-IBGZPJMESA-N 311.429 3.028 0 40 DGAB C1CCC(CN[C@@H]2CCc3onc(CN4CCCC4)c3C2)CC1 2055739191 NUJSLWIVBDFHLF-MRXNPFEDSA-N 317.477 3.298 0 40 DGAB CCOc1ccc(-c2[nH]ncc2C(=O)NC2CC2)cc1Cl 71116101 IINBJCAHFOBTOW-UHFFFAOYSA-N 305.765 3.021 0 40 DGAB O=C(NCCCN1CCCC1)c1cc2cc(Cl)ccc2o1 61548241 ZPEORJTWDVSDNW-UHFFFAOYSA-N 306.793 3.302 0 40 DGAB O=C(Nc1ccccc1-c1nc(-c2ccccc2)n[nH]1)C1CC1 47371756 OPIISHQAUCNDEC-UHFFFAOYSA-N 304.353 3.487 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2cc3c(s2)CCC3)cs1 9051343 VLRDODWJFISOON-UHFFFAOYSA-N 322.411 3.009 0 40 DGAB Cc1ccc(NC(=O)c2cnn(C)c2C)c(Br)c1 1001953 JHPIVUZMELWMDQ-UHFFFAOYSA-N 308.179 3.052 0 40 DGAB Cc1nc(NC(=O)CCc2nc3ccccc3[nH]2)sc1C 23244656 KJFGEFZEXMHZMG-UHFFFAOYSA-N 300.387 3.208 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(Cl)c(F)c2)[C@@H](C)C1 78897319 YSOZFGXDDQNSPH-NHYWBVRUSA-N 312.816 3.216 0 40 DGAB CCCC(=O)NC(=S)Nc1cccc(-c2ccc(CO)o2)c1 6026125 ZMDBQDAHALFTJJ-UHFFFAOYSA-N 318.398 3.052 0 40 DGAB COc1ccc2c(c1N)CC[C@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 6043882 YNHMOPDDKJEIJS-PXHHVBDSSA-N 301.430 3.494 0 40 DGAB Brc1c(-c2ccc3c(c2)OCO3)nc2ccccn12 6740844 ZJNFLKGMIVWONH-UHFFFAOYSA-N 317.142 3.493 0 40 DGAB C[C@@H](Cn1cccn1)NC(=O)Cc1ccc(-c2ccccc2)cc1 24804913 ZKGGPAFIFYHILG-INIZCTEOSA-N 319.408 3.298 0 40 DGAB Clc1ccccc1C1=C[C@@H](c2cccs2)n2nnnc2N1 101254274 JQZUOLVSNQWOHZ-LBPRGKRZSA-N 315.789 3.444 0 40 DGAB CCc1ccc(C(=O)Nc2cc(C(=O)OC)c(F)cc2F)o1 24920405 QBRJGVFYZHPKMW-UHFFFAOYSA-N 309.268 3.159 0 40 DGAB Cc1cc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c(C)o1 3249905 GKTOPKOFHOFTFU-NSHDSACASA-N 313.353 3.031 0 40 DGAB COc1ccc2nc(N3C(=O)c4ccccc4C3=O)sc2c1 1508006 DHKKAIFDHMMGOY-UHFFFAOYSA-N 310.334 3.106 0 40 DGAB COc1ccc(CCC(=O)N[C@@H](C)COc2ccccc2)cc1 55730128 DXBZOPVXYNDSEY-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB CC(=O)c1cccc(NC(=O)/C=C/c2ccc3c(c2)CCO3)c1 10029766 BINROUURTLJAJJ-SOFGYWHQSA-N 307.349 3.476 0 40 DGAB O[C@H](COCc1ccco1)CN1CCC[C@@H]1c1ccsc1 48248840 UTTNBJQVAXNPCC-GOEBONIOSA-N 307.415 3.056 0 40 DGAB O=C(NCCc1cccnc1)c1csc(Cc2ccccc2)n1 44918513 KHIPADGNYMVYJX-UHFFFAOYSA-N 323.421 3.101 0 40 DGAB COc1ccc(C)cc1NC(=O)CN1CCc2sccc2C1 10340978 QFZATAAKDVJGML-UHFFFAOYSA-N 316.426 3.062 0 40 DGAB COc1ccc(CCC(=O)N[C@@H]2CCOc3ccccc32)cc1 12782133 LUZOOWOCPZRTES-QGZVFWFLSA-N 311.381 3.268 0 40 DGAB CCc1cccc(C)c1NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O 58343540 SXXFOZHPZAVZFY-FUHWJXTLSA-N 310.397 3.337 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3)C2=O)cc1 100849953 ZQQXAKDVLSDVKQ-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB COc1ccccc1OCC(=O)N(C)[C@H](C)c1ccccc1F 45191937 PFNZMUOWLZXUSA-CYBMUJFWSA-N 317.360 3.433 0 40 DGAB CCCn1c(SCC(N)=O)nc2ccc(C(F)(F)F)cc21 11021823 ZFKYPOQFBJQQIJ-UHFFFAOYSA-N 317.336 3.043 0 40 DGAB O=C(NCCc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCC3 45574467 WHRYYCIGXOVNRA-UHFFFAOYSA-N 319.408 3.414 0 40 DGAB O=C(/C=C\c1ccsc1)N1CCC[C@H]1c1nnc2ccccn12 103329222 IFMGWAAIQCMTJR-AFNCTOJWSA-N 324.409 3.168 0 40 DGAB CCOC(=O)CCC(=O)c1cccc(CN2CCCCC2)c1 2515042 ZOMZOJVHFGXLCQ-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB COc1ccc(C(=O)COc2ccc(C(C)=O)cc2)c(OC)c1 2648638 RLEWTQJUYGAWRO-UHFFFAOYSA-N 314.337 3.168 0 40 DGAB CCOCCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3 12953460 CTXOBAZVGPMGCK-UHFFFAOYSA-N 300.402 3.203 0 40 DGAB Cc1cccc(C(=O)NCc2cccc(NC(=O)C3CC3)c2)c1 12937892 QWAQCEZZAQIXAM-UHFFFAOYSA-N 308.381 3.274 0 40 DGAB Cn1c(=O)cc(C(=O)Nc2ccc3cc[nH]c3c2)c2ccccc21 72326007 YROAEUPSGLNSOX-UHFFFAOYSA-N 317.348 3.272 0 40 DGAB biogenic O=C(O)[C@@H]1CS[C@H](c2ccc(OCc3ccccc3)cc2)N1 4553689 QLDGBUNDYTVRIZ-JKSUJKDBSA-N 315.394 3.054 0 40 DGAB Cc1ccc2cccc(O[C@@H](C)C(=O)Nc3cc(C)on3)c2n1 9339210 ZBSZYQOANORFOX-LBPRGKRZSA-N 311.341 3.246 0 40 DGAB C/C=C/C[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@@H]1OC(=O)C=C[C@H]1CC 14658466 XIHGDBYGUWEHCV-SBSFWDPDSA-N 324.461 3.499 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)OCC1(C)COC1 66522540 KSQOTIVHTCIKOT-UHFFFAOYSA-N 321.373 3.451 0 40 DGAB C[C@@H](Sc1ncccn1)C(=O)N[C@H]1CCCc2ccccc21 6913190 TXUUDZOWVOXOBL-DOMZBBRYSA-N 313.426 3.151 0 40 DGAB C[C@@H](CC1CCOCC1)NCc1nnc(-c2ccccc2)s1 90401162 CCXZJIHRNLAVLH-ZDUSSCGKSA-N 317.458 3.500 0 40 DGAB Cc1nc(-c2cccs2)c(CC(=O)NC[C@H]2CCCO2)s1 15840062 FKZHKOVUJVLKKM-LLVKDONJSA-N 322.455 3.018 0 40 DGAB CC(C)OCc1cccc(CN[C@@H]2CCN3CCC[C@@H]3C2)c1 96484317 DTCALUWAVCLCQH-RTBURBONSA-N 302.462 3.328 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)c2ncc(C)s2)c(C)n1 96471132 WIAWQLBHPYRBTE-SNVBAGLBSA-N 306.391 3.046 0 40 DGAB O=C(NC1CCCCCC1)[C@H]1CCCN1C(=O)c1cccs1 9591962 MFZFRNCKVZWSKS-CQSZACIVSA-N 320.458 3.192 0 40 DGAB O=C(Nc1cccc2cccnc12)c1cnn(-c2ccccc2)n1 9550064 LYPCUEUGCGOKCX-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB C[C@H](NC[C@H](c1ccsc1)N(C)C)c1nc(C(C)(C)C)no1 69157774 CLTFNKWNSRRWDW-WCQYABFASA-N 322.478 3.382 0 40 DGAB Cc1nc(C(=O)N[C@@H](c2ccccc2)c2ccccn2)cs1 69324815 CDXCOHDKQVKOLC-INIZCTEOSA-N 309.394 3.366 0 40 DGAB Cn1cc([C@@H]2C[C@@H]2C(=O)N2CCC(Cc3ccccc3)CC2)cn1 71830408 ICCAVLQIHIIQCP-OALUTQOASA-N 323.440 3.005 0 40 DGAB CC(C)NC(=O)[C@H](C)Oc1ccc(C(=O)c2ccccc2)cc1 8499784 GITOMMIPURKILB-AWEZNQCLSA-N 311.381 3.210 0 40 DGAB C[C@H]1CCCC[C@H]1OCC(=O)Nc1ncccc1OC(F)F 71903614 XFPDQEKOUFFLOU-WDEREUQCSA-N 314.332 3.217 0 40 DGAB O=C(c1ccncc1)N1CCC(OCc2ccc(F)cc2)CC1 92069882 YSFLIQHVOHYFNB-UHFFFAOYSA-N 314.360 3.042 0 40 DGAB C[C@@H](NC(=O)C1CCCCC1)C(=O)NC(C)(C)CC(C)(C)C 83927613 NDEIBNBRJZDHAB-CYBMUJFWSA-N 310.482 3.402 0 40 DGAB CCC(CC)N1CCN(Cc2ccc(OC)c(OC)c2)CC1 19359671 LFAOXUSHKAORMF-UHFFFAOYSA-N 306.450 3.010 0 40 DGAB COc1ccc(-c2noc(-c3ccc4nccn4c3)n2)cc1OC 72274887 FGWAUFZJEITVMR-UHFFFAOYSA-N 322.324 3.069 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H](c3noc(C)n3)C2)c(C)o1 72231658 FWKREDLRZWTWHE-FZMZJTMJSA-N 317.389 3.098 0 40 DGAB O=S(=O)(Nc1cccnc1)c1ccc(Cl)c2ncccc12 72275913 NQQCNXQVURXVFX-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB Cc1nnc(-c2ccc(C(=O)O[C@H](C)c3nccs3)cc2)o1 97113066 AHNISMFGFVGKJR-SECBINFHSA-N 315.354 3.420 0 40 DGAB Cc1cc(F)cc(NS(=O)(=O)c2ccc(F)c(F)c2)c1 95535206 BWRLZVSCVCZRIN-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)N1C[C@H]2CC=CC[C@H]2C1 98020615 HGBJFVZFPATBRM-IXDOHACOSA-N 318.461 3.476 0 40 DGAB C/C(=C\C(=O)Nc1ccc(NC(N)=O)cc1)c1cccc(F)c1 98055913 UAVYGECSNQKZOR-PKNBQFBNSA-N 313.332 3.358 0 40 DGAB CC(C)c1nc([C@@H](C)NC(=O)c2ccc(C(=O)O)cc2)cs1 95969743 CAMHVAKNYMYFSC-SNVBAGLBSA-N 318.398 3.456 0 40 DGAB C[C@H](OCC1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1O 95983106 KSEGISMBZJVSLA-ZETCQYMHSA-N 304.173 3.453 0 40 DGAB c1ccc([C@@H](NC[C@H]2Cc3ccccc3O2)c2ncc[nH]2)cc1 95940774 WFCUGHPFOVJXRS-SJLPKXTDSA-N 305.381 3.092 0 40 DGAB CCN1CC[C@H](Nc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 95990526 ZKOYAUIIAPCGGG-PBHICJAKSA-N 303.450 3.423 0 40 DGAB Cc1ncsc1C(=O)O[C@@H](c1cccnc1)C(F)(F)F 76090341 XXKXFQJWJQINFM-JTQLQIEISA-N 302.277 3.307 0 40 DGAB O=C(Nc1c[nH]nc1-c1nccs1)c1cc2c(o1)CCCC2 1548695837 RQHIPPLRHGFILH-UHFFFAOYSA-N 314.370 3.257 0 40 DGAB CCCCOc1ccccc1/C=C/C(=O)N[C@@H](C(=O)O)C(C)C 62714944 UZUISYPTVPBRME-SXSDINLZSA-N 319.401 3.104 0 40 DGAB CCCCCC1=NN(C(=O)c2ccco2)[C@](O)(C(F)(F)F)C1 408957776 VWQSLYUTVKNEEN-CYBMUJFWSA-N 318.295 3.313 0 40 DGAB Cc1onc(-c2ccc(F)c(Br)c2)c1C(=O)O 70426665 JJIDIIKHFNDYIN-UHFFFAOYSA-N 300.083 3.250 0 40 DGAB Cc1cc(OCc2ncc(C(=O)O)c(C)n2)cc(C)c1Cl 217398065 GEDUTWGKMKYZGW-UHFFFAOYSA-N 306.749 3.332 0 40 DGAB O=C(NCc1ccco1)c1cc2c([nH]c3ccccc32)c(=O)s1 1565525037 YEGJYHGPBQUQJW-UHFFFAOYSA-N 324.361 3.266 0 40 DGAB Cc1cc(CSc2nnc(-c3ccccc3C)n2C)on1 32829878 QGFVSJYWUAPATM-UHFFFAOYSA-N 300.387 3.379 0 40 DGAB O=C(NCc1cccc(CN2CCCC2)c1)C1CCCCC1 46374483 YXWXUQJPEOJNRU-UHFFFAOYSA-N 300.446 3.479 0 40 DGAB CCSc1ccc(Cl)cc1C(=O)NCc1ccnc(C)n1 84084932 OOSYJDIAFSVVHM-UHFFFAOYSA-N 321.833 3.480 0 40 DGAB Cc1cscc1C(=O)Nc1cccc2c1CN([C@@H](C)CO)C2 195560344 ZOJJMSKVBSWEEI-LBPRGKRZSA-N 316.426 3.005 0 40 DGAB CCCC[Sn]1(CCCC)CCC(=O)O1 195999473 NDAMEUYPDRMHRZ-UHFFFAOYSA-M 305.006 3.479 0 40 DGAB Cc1cc(N)cc2nc(Cc3nc4cc(N)cc(C)c4o3)oc12 226249615 DGXSIEVBMUMTAS-UHFFFAOYSA-N 308.341 3.341 0 40 DGAB Cc1noc([C@@H](C)N(C)Cc2ccc3oc(C(=O)O)cc3c2)n1 581834831 BDDAGSKGIAOLQG-SECBINFHSA-N 315.329 3.015 0 40 DGAB CCSC1(CNc2cc(Cl)nc(C)n2)CCOCC1 96420998 RZAYTCNHGCRZIM-UHFFFAOYSA-N 301.843 3.153 0 40 DGAB COc1ccccc1CN[C@H](C)Cc1ccc(OC)c(OC)c1 237186301 RKXGZUWEWZYDAS-CQSZACIVSA-N 315.413 3.433 0 40 DGAB in-vitro CN(Cc1ccc(Cl)c(F)c1)C(=O)NCc1ccn(C)c1 96485894 XCBIRWTUAIXSNG-UHFFFAOYSA-N 309.772 3.159 0 40 DGAB Cc1cc(-c2nn3c(-c4ccc(Cl)cc4)nnc3s2)on1 95476525 SBYLOCNWYVMFBC-UHFFFAOYSA-N 317.761 3.470 0 40 DGAB O=C(Nc1ccccc1)N1C[C@@H]2CN(Cc3ccccc3)[C@H]2C1 96080585 NCQOZIOIVVPREH-WMZOPIPTSA-N 307.397 3.035 0 40 DGAB CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(C)s1)C2 96056798 DTQQCEULVMFKQV-DLBZAZTESA-N 309.475 3.464 0 40 DGAB CC[C@@H](NC(=O)N1CCCC[C@@H]1c1cn[nH]c1)c1nccs1 97234482 HBWQPORVXBUWHS-CHWSQXEVSA-N 319.434 3.254 0 40 DGAB CCCN(CCC)c1nn(-c2cccc(Cl)c2)nc1C(=O)O 256045677 ALINMQFAVCKQCP-UHFFFAOYSA-N 322.796 3.245 0 40 DGAB CCS[C@@H]1CCCCN(C(=O)c2ocnc2C(F)(F)F)C1 585131936 KDVCWFOBXCHRHC-SECBINFHSA-N 322.352 3.441 0 40 DGAB CCN(C(=O)c1scnc1C)[C@@H]1CN(C)C2(CCCCC2)C1 257306081 SSUYHKIHLDSTQA-AWEZNQCLSA-N 321.490 3.321 0 40 DGAB O=C(Cc1cccs1)N1Cc2nccn2C[C@@H]1c1ccccc1 257288505 PUKJFVAJPUFIDW-MRXNPFEDSA-N 323.421 3.271 0 40 DGAB Cc1cc(C(=O)NCC[C@@H](O)c2cc3ccccc3o2)c(C)o1 96097200 HBQSZVSDELQIEQ-OAHLLOKOSA-N 313.353 3.496 0 40 DGAB CO[C@H](CNC(=O)c1c(F)cccc1F)c1ccccc1C 96104944 BZHBPHHWRPQBNH-OAHLLOKOSA-N 305.324 3.391 0 40 DGAB CCc1cnc(CNC(=O)Nc2cccc3oc(C)nc23)o1 585140427 DRQGSWMYNUTRPB-UHFFFAOYSA-N 300.318 3.008 0 40 DGAB C[C@@H]1C[C@H](NC(=O)N2CCC3(CCCCC3)CC2)c2ncnn21 661533537 JMSQPACQMCKMHG-KGLIPLIRSA-N 317.437 3.040 0 40 DGAB CO[C@@H]1CN(C(=O)c2cccnc2C)CC[C@@H]1Cc1ccccc1 585279781 OYAASOGRRKNACJ-IEBWSBKVSA-N 324.424 3.110 0 40 DGAB COC(=O)c1ccc(CCC(=O)NCC2CCCCC2)cc1 68071631 MKIIAJWMBRFBFX-UHFFFAOYSA-N 303.402 3.102 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2ccsc2)c1 71865704 LHFIVZWZFHZSRI-MRXNPFEDSA-N 317.458 3.267 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)N[C@@H](C)c2ccc(C)o2)on1 43722613 IZCSGSAOZQXGCN-QWHCGFSZSA-N 303.362 3.492 0 40 DGAB CSCCc1ccc(NC(=O)[C@H](O)c2ccccc2)cc1 73312776 HAUQLWJSGUMQTE-MRXNPFEDSA-N 301.411 3.264 0 40 DGAB CN(C)[C@H](CNc1c(F)c(F)nc(F)c1F)c1cccs1 75106792 IBZDYVHRSWLAAB-SSDOTTSWSA-N 319.327 3.414 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1 84705583 NYGMNCKHHHDTPW-UKRRQHHQSA-N 314.385 3.400 0 40 DGAB Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)N(C1CC1)[C@H](C)C(C)C 86424548 JBQOEQMMZUBZFL-TZMCWYRMSA-N 320.481 3.186 0 40 DGAB COc1ccc(Cn2cnc3c(=O)oc4ccccc4c32)cc1 1501015456 LAYFCDXXXHFGTJ-UHFFFAOYSA-N 306.321 3.200 0 40 DGAB Cc1cc2nc3s/c(=C\c4ccccc4)c(=O)n3c2cc1C 45566 NEBQSBSBBSPQIP-YBEGLDIGSA-N 306.390 3.074 0 40 DGAB CC(=O)O[C@H]1c2ccccc2C[C@@]2(OC(C)=O)c3ccccc3[C@H]12 5049060 QILKONMDKUVPBN-HSALFYBXSA-N 322.360 3.403 0 40 DGAB COc1ccccc1C1(NC(=O)c2c(C)noc2C)CCCC1 12143065 BUICWDFGSVKXMJ-UHFFFAOYSA-N 314.385 3.499 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)C(C)(C)C)C2)c2cccnc2n1 12254078 KWCNMPYDPIXDAQ-CYBMUJFWSA-N 312.417 3.085 0 40 DGAB Cc1scc(C(=O)N2CCN(c3ccccc3)CC2)c1C 13331602 WAQQYLCLMQLUAI-UHFFFAOYSA-N 300.427 3.327 0 40 DGAB COc1cc(C)c2[nH]c(=O)c(CNCc3ccccc3)cc2c1 13566703 WGSOQOONNOJHOG-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB Cc1ccc(SCCC(=O)NCCCN2CCCC2)cc1 13669200 IUABTQXGFJPWPT-UHFFFAOYSA-N 306.475 3.079 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2nccs2)cc1Cl 14257675 HLWVXKHDVGGXJD-UHFFFAOYSA-N 311.819 3.232 0 40 DGAB CCc1nnc2sc(-c3cc(Cl)cc(Cl)c3N)nn12 15423928 RWTHEWYWRGFWMF-UHFFFAOYSA-N 314.201 3.304 0 40 DGAB Cc1c(C)c(C)c(S(=O)(=O)n2cc(Cl)cn2)c(C)c1C 17052232 XKLCDMITUDMSSX-UHFFFAOYSA-N 312.822 3.316 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc3c(s2)CCC3)cc1 6942880 WGVCKUUUFCZLGZ-UHFFFAOYSA-N 315.394 3.341 0 40 DGAB Cc1nccn1CC1CN(Cc2ccccc2Br)C1 1849333426 VANJMIJUBRSBRE-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)Cn1cnc2cc(F)c(F)cc21 24425557 DZIDPGWBVDDGMM-ZWNOBZJWSA-N 307.344 3.009 0 40 DGAB Fc1ccc(Cn2c(N3CCOCC3)nc3ccccc32)cc1 1430395 GWBATEXNUUJBGN-UHFFFAOYSA-N 311.360 3.060 0 40 DGAB C[C@H]1CCc2sc(NC(=O)c3ccccc3)c(C(N)=O)c2C1 1518448 CYOUMZBTSUJHOD-JTQLQIEISA-N 314.410 3.224 0 40 DGAB CC[C@@](CNc1ncnc2cnccc12)(OC)c1ccccc1 1775970654 HIWVMCKBTBPUNI-SFHVURJKSA-N 308.385 3.389 0 40 DGAB CC[C@](CNc1ncnc2ncccc12)(OC)c1ccccc1 1775971472 PBWUWKUAEQGHGF-GOSISDBHSA-N 308.385 3.389 0 40 DGAB Sc1nc(NCCCN2CCCCCC2)c2ccccc2n1 575616548 RJHCGMGXWOHKHL-UHFFFAOYSA-N 316.474 3.597 0 40 DGAB O=C(/C=C/c1ccco1)NCC[C@H](CCO)c1ccsc1 575606511 HOCYUBDHERLMRE-ITDFMYJTSA-N 305.399 3.027 0 40 DGAB COC1=CC2=CN(Cc3ccccc3)C(=O)CC[C@@H]2C=C1OC 604933958 MHLOGFJSVCLOLZ-OAHLLOKOSA-N 311.381 3.383 0 40 DGAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc(Cl)cc2F)C1 40107594 AIZIHTVOFCCXMT-RYUDHWBXSA-N 312.816 3.187 0 40 DGAB Cn1ccc2ccc(C(=O)N3CCO[C@@H](c4ccccc4)C3)cc21 40284536 ZLKVZERAZRIPNE-LJQANCHMSA-N 320.392 3.392 0 40 DGAB C[C@H]1CCCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)C1 20893460 HYBFXGUJAMCOSC-JTQLQIEISA-N 305.761 3.319 0 40 DGAB O=C(Nc1nncs1)c1ccccc1SC[C@@H]1CCCO1 21216356 VXQBAKDEGSAIOG-JTQLQIEISA-N 321.427 3.062 0 40 DGAB CC(C)C(=O)N1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 324736 SBMGZLVFCLKMIE-CYBMUJFWSA-N 317.364 3.238 0 40 DGAB Cc1ccc(-c2cnc(CCC(=O)Nc3ncccc3O)o2)cc1 21402282 SMVSWKDSQFWVJZ-UHFFFAOYSA-N 323.352 3.322 0 40 DGAB CCc1ccc(C(=O)CCC(=O)NCc2nc(C)cs2)cc1 21481831 XFLVZBYBYCFHAJ-UHFFFAOYSA-N 316.426 3.293 0 40 DGAB CCCCn1c(=O)c(Cl)nc2ncc(Br)cc21 1857793698 NFKNUYHDLLZVDF-UHFFFAOYSA-N 316.586 3.008 0 40 DGAB Cc1cc(C)c(C(=O)CCCC(=O)NC[C@H]2CCCO2)c(C)c1 47301859 FIUSCFDFPQHQNX-MRXNPFEDSA-N 317.429 3.260 0 40 DGAB CC(C)Cc1ccc([C@H](C)C(=O)N[C@H](CC(C)C)C(N)=O)cc1 12401502 JGBGRKVWIMSUHP-WMLDXEAASA-N 318.461 3.005 0 40 DGAB CC(C)[C@@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(C)C 79092680 GSCASULDSXPQSA-KRWDZBQOSA-N 303.450 3.202 0 40 DGAB CCOc1ccccc1N1CCN(C(=O)c2cccc(C)c2)CC1 2742199 VNVOXGUZJPXHIH-UHFFFAOYSA-N 324.424 3.356 0 40 DGAB O=C(Nc1ccccn1)c1ccc(C(=O)Nc2ccccn2)s1 42653526 USCVDLRYHGVBQA-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB CCSc1nc2c(c(=O)n1CCc1ccccc1)SCC2 4358783 KVAVNVUCQTZXSY-UHFFFAOYSA-N 318.467 3.246 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)Cn1cnc2sccc2c1=O 7495109 ACDWRNKXAYEAFL-UHFFFAOYSA-N 323.377 3.131 0 40 DGAB Cc1ccc(C(=O)O[C@@H]2CCS(=O)(=O)c3sccc32)cc1 1393989 VLGOTRLFCVIVAE-CYBMUJFWSA-N 322.407 3.132 0 40 DGAB CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2cn(C)nc2C)S1 71286416 AADLCHYRBFCLGL-LBPRGKRZSA-N 305.407 3.098 0 40 DGAB Cc1ccoc1C(=O)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55945001 CTJZVWAJPCYUBL-HUUCEWRRSA-N 303.333 3.377 0 40 DGAB Cc1cc(C)cc(N2CC(=O)N(c3cc(C)cc(C)c3)CC2=O)c1 8335607 UHSMMCCNGYXMEV-UHFFFAOYSA-N 322.408 3.300 0 40 DGAB CN1C[C@H](C(=O)c2ccc(F)cc2)[C@H](c2ccc(F)cc2)C1 108006199 BRTUVYIEVZPBTD-IRXDYDNUSA-N 301.336 3.493 0 40 DGAB CCOc1cc(C(=S)NCCc2ccccc2)ccc1O 9188106 PENAPMJZSUGHGR-UHFFFAOYSA-N 301.411 3.299 0 40 DGAB Cc1ccc(NC(=S)NC[C@@H]2CCCN(C)C2)c(Cl)c1 9876212 QAUCCRUIZWRLFG-LBPRGKRZSA-N 311.882 3.277 0 40 DGAB CN1CCC[C@H](CNC(=O)Nc2ccc(Cl)c(Cl)c2)C1 9876627 YHODADAONDZXDP-SNVBAGLBSA-N 316.232 3.457 0 40 DGAB c1ccc(Cc2nnc(SCc3nnc(C4CC4)o3)o2)cc1 58341946 FYVONTPYZYPWKT-UHFFFAOYSA-N 314.370 3.213 0 40 DGAB C[C@@]12C(=O)[C@@]34CCC[C@@H]3[C@@H]1[C@H]1[C@@H]3[C@@H]2[C@@]25CCC[C@@H]2[C@@H]3[C@@](C)(C5=O)[C@@H]14 101139769 GCPRYOQVJZFWGP-CSEMLMEVSA-N 322.448 3.489 0 40 DGAB Cc1nc(SCC(=O)NCc2ccco2)n(CC(C)C)c1C 11304625 CBUYUICZJGRCCP-UHFFFAOYSA-N 321.446 3.157 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)N2CCOc3ccccc32)cc1 36763867 QHTQZOBKDANRMP-UHFFFAOYSA-N 319.364 3.220 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)NCc1ccc(F)cc1 12774008 DMXYIFGEWITRDU-UHFFFAOYSA-N 311.360 3.349 0 40 DGAB C[C@@H]1[C@@H](NC(=O)COc2ccc3c(c2)CCC3)CCC[C@H]1C 108832976 FUVCXUZCNAREEJ-GLJUWKHASA-N 301.430 3.495 0 40 DGAB Cc1cccc(C)c1OCCn1cc(Br)ccc1=O 60386741 CZXFKJAQNJKKPJ-UHFFFAOYSA-N 322.202 3.307 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)Cc1ccsc1 2629549 FTHFPSVBIOTRDF-UHFFFAOYSA-N 303.383 3.089 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@H](C)N(C)Cc1c(C)noc1C 72514710 LFVNSPCCSDHZSD-LBPRGKRZSA-N 319.380 3.198 0 40 DGAB Nc1c(-c2cccc(Cl)c2)cnn1-c1ccc(C(=O)O)cc1 4290733 NWNMSZOJIFFZNT-UHFFFAOYSA-N 313.744 3.473 0 40 DGAB COc1ccc(/C=C/c2nn3c(C(C)C)nnc3s2)cc1 4487521 SNDQSZALOHJINW-RMKNXTFCSA-N 300.387 3.488 0 40 DGAB COC(=O)c1c(C)cccc1NC(=O)Cc1c[nH]c2ccccc12 14018118 JADJPUOSPDGXAB-UHFFFAOYSA-N 322.364 3.444 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1cc(Cl)cn1C)c1nccs1 84667939 WEUAGNAUFKHHRT-SECBINFHSA-N 312.826 3.038 0 40 DGAB O=C([C@@H]1CCCN(Cc2cccc(Cl)c2)C1)N1CCCC1 4746170 MAWQQTOCGFMNML-OAHLLOKOSA-N 306.837 3.174 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2nccc3ccccc23)c1 67651078 DFQSRSFMFDWZLP-UHFFFAOYSA-N 320.348 3.339 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(F)c2)c(F)c1 7513671 HWMAVBBRJSYHDU-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCOc1ccc(NC(=O)NCc2ccc3c(c2)OCO3)cc1 15934223 CGKLBBGCESZQOS-UHFFFAOYSA-N 314.341 3.136 0 40 DGAB Cc1ccc(CCNC(=O)N2C[C@H](C)[C@H]2c2ccccc2)cn1 96440077 RCVLFXSJAAANCX-KSSFIOAISA-N 309.413 3.335 0 40 DGAB O=C(NCCCc1ccccc1)C1(c2ccccc2)CCOCC1 16985201 PXVOVXWSLQWAGN-UHFFFAOYSA-N 323.436 3.484 0 40 DGAB COc1ccc2cc(/C=C/C(=O)Nc3ccn(C)n3)ccc2c1 9536851 BPSCHWIRESYQLQ-XBXARRHUSA-N 307.353 3.234 0 40 DGAB CCc1ccc([C@@H]2CCCN2C(=O)CCOCC(F)(F)F)o1 71910432 DPZDNXHXNWUTAT-LBPRGKRZSA-N 319.323 3.475 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@H](n2ccnc2C(C)C)C1 69948829 TWYDVJAFOZCRFE-AWEZNQCLSA-N 316.405 3.089 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)c2ccc(Cl)cc2)cn1 72073250 FKYWNBDKWGCUEP-GFCCVEGCSA-N 304.777 3.300 0 40 DGAB FC(F)(F)c1ccn(C2CCN(Cc3ccccn3)CC2)n1 97048576 RTUAVRBGFIWWKB-UHFFFAOYSA-N 310.323 3.134 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)Nc2ncccc2C)o1 97094834 QFMUROFGKKSWLE-CQSZACIVSA-N 315.373 3.498 0 40 DGAB CN(CCO)C(=O)NCc1ccccc1-c1ccc(Cl)cc1 95982096 URLUOLTZSHIXSE-UHFFFAOYSA-N 318.804 3.141 0 40 DGAB COCC[C@H](C)NC(=O)Nc1cc(C)ccc1Br 95976819 SVBFEDFZVIKVCL-JTQLQIEISA-N 315.211 3.304 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)NCCSC(C)(C)C 89263005 UIDOTJHKIPSDDW-ZDUSSCGKSA-N 324.494 3.405 0 40 DGAB CNC(=O)c1ccc(CN2C[C@H](C)OC[C@H]2c2ccccc2)cc1 76148519 RJGHMLRYURBUBX-KXBFYZLASA-N 324.424 3.008 0 40 DGAB CSc1ccc(S(=O)(=O)N(C)c2ccc(F)cc2)cc1 64476624 YPMOYENGCBQTBM-UHFFFAOYSA-N 311.403 3.373 0 40 DGAB C=CC(=O)Nc1ccc(O)c(C(=O)N2CCCC[C@@H]2CCC)c1 1548686787 YTEPYAFHTYQKTD-AWEZNQCLSA-N 316.401 3.312 0 40 DGAB COc1ccc(NC(=O)Nc2cccnc2)cc1OC(F)F 25453667 KFMUDHXBSSHMKN-UHFFFAOYSA-N 309.272 3.336 0 40 DGAB CCc1ncnc(CC)c1C(=O)N[C@@H](C)CCCC(F)(F)F 507171864 YCLWSWCOGIEQOF-JTQLQIEISA-N 317.355 3.452 0 40 DGAB COc1cccc(/C=C2\SC(=O)N(C(C)C)C2=O)c1OC 409064230 BUHOJVQCRJBMCZ-WQLSENKSSA-N 307.371 3.149 0 40 DGAB Cc1nnc(SCC(=O)Nc2ccc(Cl)cc2Cl)o1 33538151 VEOPRKXILTXHHB-UHFFFAOYSA-N 318.185 3.416 0 40 DGAB c1ccc(CN2CCC[C@H](c3cncc(-n4ccnc4)n3)C2)cc1 72355450 LTAMGFPDWZOEOS-KRWDZBQOSA-N 319.412 3.042 0 40 DGAB COC(=O)c1cc(NC(=S)NCCC(C)C)ccc1Cl 225380226 YPVOWABLKXUPPH-UHFFFAOYSA-N 314.838 3.459 0 40 DGAB Cc1cccc(-c2nnc(NC(=O)/C=C/c3ccccc3)o2)n1 75154655 HLVVQDOHEMHULJ-ZHACJKMWSA-N 306.325 3.092 0 40 DGAB CC[C@@]1(CO)CCCN1C(=O)Nc1cc(C)cc2cccnc12 190351340 FZBWLSGEMLQJAQ-SFHVURJKSA-N 313.401 3.312 0 40 DGAB CC(C)(COCc1ccccc1)NC(=O)[C@H]1C[C@@H]1c1cccnc1 225597847 ZNXNPCNMGIOPFX-MSOLQXFVSA-N 324.424 3.297 0 40 DGAB COc1ccc(C[C@H]2CN(C(=O)OC(C)(C)C)CCC2=O)cc1 228907760 NBBLEHPXXAJVGK-AWEZNQCLSA-N 319.401 3.064 0 40 DGAB COc1ccc(C(=O)NCCc2ccc(C(C)=O)s2)cc1F 225672532 QFPZAKIZVRZOES-UHFFFAOYSA-N 321.373 3.071 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2F)cc1 224591313 MNAXYZCMQMVQDD-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB O=C(Nc1cc(Cl)ccn1)N1CCC(OC2CCC2)CC1 576013732 YIAZFWJKOOBNTI-UHFFFAOYSA-N 309.797 3.300 0 40 DGAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2)nc1 225784467 DMPZLTILGWGZRM-ZDUSSCGKSA-N 301.415 3.144 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@@H]1C[C@H]2CC[C@@H]1O2 84246130 ODSMHPPIJZZFOH-XLDPMVHQSA-N 314.154 3.094 0 40 DGAB CC(C)(C)c1csc(COc2cccc3c2NC(=O)CO3)n1 91597653 PLOPGIIONZQREB-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB CC(C)c1nnc2n1C[C@H](NCc1ccc(Cl)c(F)c1)CC2 97199436 ABUBNRMRRLSIPF-GFCCVEGCSA-N 322.815 3.299 0 40 DGAB O=C(NCCc1ccccn1)N[C@@H]1CCCc2sccc21 97094844 XMXUHRNDPFUTQV-CQSZACIVSA-N 301.415 3.062 0 40 DGAB COCc1noc(CN[C@@H](C)c2cc3cc(Cl)ccc3o2)n1 97374518 YEGIFKKRXWSZSZ-VIFPVBQESA-N 321.764 3.466 0 40 DGAB c1cncc(CN2C[C@H]3CCC[C@@]3(COCc3ccncc3)C2)c1 96206264 BEIMRGDGEHUNEK-UXHICEINSA-N 323.440 3.296 0 40 DGAB CO[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]2c2ccc(C)o2)C12CCC2 584158412 VOXKZJJSJOXSPO-FVQBIDKESA-N 318.417 3.392 0 40 DGAB COc1cc(C)cc(CNC(=O)Nc2ccnn2C(C)C)c1 96483584 BHGRSKMDULZQFV-UHFFFAOYSA-N 302.378 3.103 0 40 DGAB CC(C)(C)[S@](=O)CCNC(=O)Nc1cccc(C(F)F)c1 96434477 LZIKZXQYBVPCCA-NRFANRHFSA-N 318.389 3.293 0 40 DGAB O=C1c2ccccc2-c2ccc(-c3nc([C@H]4CCOC4)no3)cc21 96462734 NPZNKERYTIVMQB-LBPRGKRZSA-N 318.332 3.452 0 40 DGAB C[S@](=O)C[C@H](NC(=O)CC1=CCCCC1)c1ccccc1 96445383 AHNOQKLSRITQEB-HRAATJIYSA-N 305.443 3.113 0 40 DGAB CCOC(=O)[C@H](CN)[C@]1(N(CC)CC)C[C@H]2CC[C@@]1(C)C2(C)C 242581714 OCKDPBVSIVVMTJ-LVFSCSRESA-N 324.509 3.051 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)c2csc3c2CCCC3)C1 257340925 ZICZWRQPUXFMCM-LBPRGKRZSA-N 315.442 3.288 0 40 DGAB Cc1cc(CC2CCN(Cc3c(C)nn(C)c3C)CC2)ccn1 257211229 BYABEDSWASZEGC-UHFFFAOYSA-N 312.461 3.195 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 63811928 JONIPEILWONZHA-ZDUSSCGKSA-N 317.414 3.259 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cc(=O)[nH]c2cc(F)ccc12 71916041 RHKNFMUYFLTECW-INIZCTEOSA-N 322.339 3.085 0 40 DGAB O=C(COCc1ccccc1)N1CCC[C@@H]1c1ccc(O)cc1 58229882 BJAKJSSHNRMZFQ-GOSISDBHSA-N 311.381 3.273 0 40 DGAB Cc1cc2oc(=O)cc(CN(CCO)C3CC3)c2cc1C(C)C 58406702 ZLQKZAJKWVRGFT-UHFFFAOYSA-N 315.413 3.182 0 40 DGAB CCC[C@H]1C[C@H]1NC(=O)C(C)(C)c1ccc2c(c1)OCCO2 75376648 PMNKGNVHYLPHQI-GXTWGEPZSA-N 303.402 3.040 0 40 DGAB Cc1cc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@@H]2C)no1 79712611 PVLXFOJRZFLSOS-BTDLBPIBSA-N 302.349 3.104 0 40 DGAB Cc1ccc(NC2CCN(CCN3CCCCC3)CC2)cc1 95400254 FVNYJFOWPOBNGB-UHFFFAOYSA-N 301.478 3.357 0 40 DGAB CN1C(=O)N/C(=C/c2ccc(-c3ccc(Cl)cc3)o2)C1=O 8091615 RNBWGDKJVVSRHW-XYOKQWHBSA-N 302.717 3.123 0 40 DGAB c1nc2c3c4c(sc3nc(N3CCCCC3)n2n1)CCCC4 5478282 PDSGVYYDYWSFFT-UHFFFAOYSA-N 313.430 3.208 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccc(F)cc2)ccc1Cl 11613847 FPQBHLRNCRUIFX-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB COC(=O)c1cccc(NC(=O)COc2cccc(Cl)c2)c1 15976362 MABMWKKOPMSHTA-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(=O)[C@H](C)n1c(C)nc2sc3c(c2c1=O)CC[C@H](C)C3 20157862 LNFLZOSTSSPKQG-IUCAKERBSA-N 304.415 3.041 0 40 DGAB O=C1N(Cc2ccccc2Cl)c2ccccc2C12OCCO2 4727319 NOCLVMXJMVHAGU-UHFFFAOYSA-N 315.756 3.086 0 40 DGAB Cc1ccccc1Cn1c(CN2CCOCC2)nc2ccccc21 23115085 ZOZYGGZQXNYESX-UHFFFAOYSA-N 321.424 3.225 0 40 DGAB Cc1cc(C)n([C@H](CNC(=O)c2ccoc2)c2ccsc2)n1 575614207 PJDCUDNVYXBTBW-OAHLLOKOSA-N 315.398 3.174 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)[C@H]1CC(c2ccc(F)cc2)=NO1 102022518 OFYBDLTYCPMVLC-XHBSWPGZSA-N 304.365 3.108 0 40 DGAB CCC(CC)NC(=O)c1cnc2c(cnn2Cc2ccccc2)c1 32895592 JFCQYCUGSAWAEH-UHFFFAOYSA-N 322.412 3.398 0 40 DGAB O=C(NC[C@H]1CCOC1)c1csc(-c2ccc(Cl)cc2)n1 41371740 CCACVSJKOYFVHS-SNVBAGLBSA-N 322.817 3.230 0 40 DGAB COc1ccc2c(c1)[C@](O)(CN)CCCC[C@H](OC)CCCC2 1584366 SKTRNYRPGRIKCS-VQIMIIECSA-N 321.461 3.143 0 40 DGAB C[C@@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C(C)(C)C 2781646 UDZHWRUBEAQIPB-SECBINFHSA-N 317.355 3.330 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2CCCc3ccccc32)c1 3241234 CZGGCIHPTKMTBX-UHFFFAOYSA-N 309.365 3.131 0 40 DGAB C[C@H]1CCCCN1Cc1nc2sc3c(c2c(=O)[nH]1)CCCC3 3370185 MCVFRPMOSOVZBK-NSHDSACASA-N 317.458 3.238 0 40 DGAB O=C(CCc1ccccc1)OC[C@@H]1CCCN2CCCC[C@H]12 4028103 VKROJTMJMSIJHO-ZWKOTPCHSA-N 301.430 3.427 0 40 DGAB biogenic O=C(NCc1cccs1)[C@H]1CC(c2ccc(Cl)cc2)=NO1 4505031 MFGNTVXEYLFAQC-CQSZACIVSA-N 320.801 3.211 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1cnc2ccccc2n1 5425106 WRWIFJYMXRGZJS-HNNXBMFYSA-N 303.365 3.437 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccc1 6202111 NRCIIYINZAFCAN-HIFRSBDPSA-N 318.417 3.263 0 40 DGAB Cc1ccc(OCCNC(=O)c2ccc3ccccc3n2)cc1 7060739 IYADQYTXUXAUPD-UHFFFAOYSA-N 306.365 3.352 0 40 DGAB O=C(OCc1ccccc1Br)c1ccc(O)cc1O 7255331 OYVZZEXZZADYRG-UHFFFAOYSA-N 323.142 3.217 0 40 DGAB C[C@@H](C(=O)NC1CCCC1)N(C)Cc1nc2ccccc2s1 7689886 SGCCDLKWPVDRIU-LBPRGKRZSA-N 317.458 3.175 0 40 DGAB COc1ccc(C)cc1-n1c(SC)nc2ccccc2c1=O 7698948 NFSPLEKVEINGIA-UHFFFAOYSA-N 312.394 3.425 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1c[nH]nc1-c1ccccc1 9115826 AYBSSLXWCRDFFJ-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB COc1ccc(-c2nc3cc(NC(C)=O)ccc3o2)cc1OC 9341286 WLXNBQDTEXRFMX-UHFFFAOYSA-N 312.325 3.470 0 40 DGAB Cc1ccc2oc(C(=O)Nc3nc(C)cs3)cc(=O)c2c1 9451772 OLZSLYWUIXGAEA-UHFFFAOYSA-N 300.339 3.119 0 40 DGAB COc1ccc(CCCC(=O)Nc2nnc(C)s2)cc1C 9615091 HUHYJUHTBIVIDL-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB COc1cc(CC(=O)Nc2ccc(OC)c(OC)c2)ccc1C 9690445 FGRQDWJWMAAFNL-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=C(COc1cccc2c1CCC2=O)Nc1ccc(Cl)cc1 10197755 LFGIXOUDUHANJN-UHFFFAOYSA-N 315.756 3.486 0 40 DGAB CCCn1c(C)cc(C(=O)CSc2nc(C3CC3)n[nH]2)c1C 11472993 VLSZYUPHHJJCKE-UHFFFAOYSA-N 318.446 3.485 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2nc(-c3cccnc3Cl)no2)C1 12239384 GRQQYLLOZJIVLI-QWRGUYRKSA-N 306.797 3.263 0 40 DGAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)c1 12549879 SEWZGOFVKRXIID-QGZVFWFLSA-N 305.381 3.248 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1Cn1cnc2c(cnn2C)c1=O 12763924 MRTTYAZROVWLJR-UHFFFAOYSA-N 324.428 3.093 0 40 DGAB Cc1ccc(-c2cnc(CCC(=O)Nc3ccn(C)n3)o2)cc1C 12825411 IZOWBEDCJBHXHW-UHFFFAOYSA-N 324.384 3.263 0 40 DGAB COC(=O)CSc1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1 12868039 DBUWICKJXUGBNP-QMMMGPOBSA-N 324.427 3.188 0 40 DGAB C[C@H](C(=O)NCc1cccs1)N(C)Cc1cccc(F)c1 12902167 UZKMSTIQLWTHBK-GFCCVEGCSA-N 306.406 3.024 0 40 DGAB O=S(=O)(Cc1ccccc1)N[C@@H]1CCCc2ccccc21 13939635 GZNCRPNDYLBFNB-QGZVFWFLSA-N 301.411 3.184 0 40 DGAB CN(CC(F)(F)F)C(=O)c1cc2cc(Cl)ccc2n1C 19289726 HXYJJUYZLHELQG-UHFFFAOYSA-N 304.699 3.466 0 40 DGAB O=C(Nc1ccc(F)cc1)Nc1c(O)c2ccccc2oc1=O 20853468 GSAUAHLPRAWAQE-UHFFFAOYSA-N 314.272 3.282 0 40 DGAB O=C(Cc1ccsc1)NCc1coc(-c2cccs2)n1 26064660 RUPHLVXWLWMKLP-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB C[C@@H](Nc1ccc2c(c1)CCO2)C(=O)Nc1ccc(Cl)cn1 28342965 QUXCPQNIPYYWJJ-SNVBAGLBSA-N 317.776 3.109 0 40 DGAB O=C(NC1CC1)c1cc(Br)ccc1-n1cccc1 32094286 RLQSGTRJYNULPO-UHFFFAOYSA-N 305.175 3.132 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)Nc2ncc(C)s2)c1 32924099 XLGFXFABSYFVSW-NSHDSACASA-N 306.387 3.004 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1occc1Br 38830361 RSCKFTCCXBDDAA-UHFFFAOYSA-N 324.130 3.066 0 40 DGAB CN(Cc1ccc2c(c1)OCO2)Cc1cnn(-c2ccccc2)c1 40009492 YZCGWYJULKTKAH-UHFFFAOYSA-N 321.380 3.233 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)NCc1cccs1 40759594 USNVLQOZJVVFDC-UHFFFAOYSA-N 319.817 3.458 0 40 DGAB CSc1ccc(Cl)c(C(=O)N[C@@H](C)Cn2ccnc2)c1 42511874 WOOOWUSIGLYQEP-JTQLQIEISA-N 309.822 3.077 0 40 DGAB COc1cc(C(=O)NC(C)C)ccc1OCc1csc(C)n1 44666643 HECOCYUNLWIDSY-UHFFFAOYSA-N 320.414 3.177 0 40 DGAB CCc1ccc2c(CNc3ccc(OC)nc3)cc(=O)oc2c1 44790924 URKOWKIBTBSXFN-UHFFFAOYSA-N 310.353 3.371 0 40 DGAB O=C(CCc1ccc(Cl)s1)NC1CCN(C2CC2)CC1 45059419 MIFHSYDEJDQBQM-UHFFFAOYSA-N 312.866 3.077 0 40 DGAB Cc1cc(C(=O)Nc2cccc(CN(C)C)c2)c2c(C)noc2n1 47453885 HTGPNVWWQBXDJP-UHFFFAOYSA-N 324.384 3.154 0 40 DGAB O=C(NCCC(=O)N1CCC[C@@H]1c1ccsc1)C1CCCC1 48278204 SLQPZALDCVHRGH-OAHLLOKOSA-N 320.458 3.108 0 40 DGAB CN(Cc1c(F)cccc1Cl)c1cncc(-n2cccn2)n1 48309862 ACHCRWYUWMCWBT-UHFFFAOYSA-N 317.755 3.091 0 40 DGAB COc1ccc(CN(C)C(=O)COc2ccccc2Cl)cc1 49535201 CECVDUZJYMLOIJ-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB O=C(CCOCC(F)(F)F)NCc1cc2ccccc2o1 57515565 KPWZCLPTRSEHFU-UHFFFAOYSA-N 301.264 3.018 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)N1CCc2ccccc2C1 57739388 LVFIDWMLMFDTKJ-AWEZNQCLSA-N 310.397 3.081 0 40 DGAB Cc1ccc(CS(=O)(=O)Cc2nc(CCC(C)C)no2)cc1 63860241 MJINJBJZJNZGCA-UHFFFAOYSA-N 322.430 3.082 0 40 DGAB C[C@H]1CN([C@@H](C)c2nnc(-c3cccs3)o2)CC(C)(C)O1 65462828 RKNLEHUDVVDHAD-QWRGUYRKSA-N 307.419 3.358 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3cc(C)ccc3C)oc12 67292626 PTKROSBZNWDCJH-VZCXRCSSSA-N 322.364 3.390 0 40 DGAB C[C@@H](Cn1cccn1)NCc1csc(-c2ccc(F)cc2)n1 69375436 LGRYESQHVNGRBN-LBPRGKRZSA-N 316.405 3.324 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)Nc2cc(C)on2)C12CCCCC2 72306076 QIVRGEPGXGOUQA-QWHCGFSZSA-N 307.394 3.232 0 40 DGAB Cc1ccnn1CCC(=O)NC1(c2ccccc2F)CCCC1 72346661 XOKSDNFOZJZBCU-UHFFFAOYSA-N 315.392 3.306 0 40 DGAB Oc1cc(Cc2ccccc2F)nc2cc(-c3ccccn3)nn12 72391320 GADAOCWLNVKVJK-UHFFFAOYSA-N 320.327 3.227 0 40 DGAB Cc1cc2nc(-c3ccccc3)cc(NCCn3cccn3)n2n1 72462653 KROOCDDCARNBDT-UHFFFAOYSA-N 318.384 3.013 0 40 DGAB CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCc3ccccc3C2)cc1 74605361 QGGPFYIXHVFCNI-LJQANCHMSA-N 322.408 3.275 0 40 DGAB Cc1noc(-c2cccnc2NC[C@@H]2CCO[C@@H]2C(C)(C)C)n1 78266556 QTFWODSTEFCYPV-JSGCOSHPSA-N 316.405 3.303 0 40 DGAB CN(Cc1cscn1)C(=O)NC[C@@H]1CCCc2ccccc21 83867730 JWJBYFRTOYJFHR-AWEZNQCLSA-N 315.442 3.405 0 40 DGAB CC(C)c1noc(CCN[C@H](C)c2ccccc2N(C)C)n1 89556171 IEWKXQJWYXTKNK-CYBMUJFWSA-N 302.422 3.152 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc([S@@](C)=O)cc1)C(C)(C)C 89598307 ZMZKWZXGQXAHBQ-QKVFXAPYSA-N 310.463 3.000 0 40 DGAB CC(C)c1nnc(/C=C/C(=O)N(Cc2cccs2)C2CC2)o1 89893796 BCXWHMFMCUUPOV-BQYQJAHWSA-N 317.414 3.459 0 40 DGAB CCc1nc(C)c([C@H](C)N[C@H]2CCN(c3ccccn3)C2)s1 90801380 UTFKZIWHNOIEDE-JSGCOSHPSA-N 316.474 3.338 0 40 DGAB O=[S@@](CCNc1ncccc1C(F)(F)F)c1ccccc1 95398035 MGHIIJHQGYEHJP-OAQYLSRUSA-N 314.332 3.320 0 40 DGAB CCO[C@H]1C[C@H](NC2CCC(O)(C(F)(F)F)CC2)C12CCC2 95423221 YERGNNIBUQSHJG-FMPXUHTOSA-N 321.383 3.160 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)N[C@@H]1CCOC2(CCCC2)C1 95426107 BEEVOXQZUPNMRI-ZIAGYGMSSA-N 306.406 3.002 0 40 DGAB Cc1c(C(=O)N2C[C@@H]3CCCC[C@@]32c2ccccc2)cnn1C 95427289 WECXMDCCMBOFPG-QFBILLFUSA-N 309.413 3.270 0 40 DGAB CNCc1cccc(NC(=O)[C@H]2C[C@H]2c2ccc(F)c(F)c2)c1 95427856 JLHGIQTYOUNHNM-GJZGRUSLSA-N 316.351 3.426 0 40 DGAB O=C(CCC(F)(F)F)N1CCC[C@@H](NCc2ccccc2)C1 95429513 TXNYSHZDNJYRDO-CQSZACIVSA-N 314.351 3.110 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(-c2ccccn2)cn1 95447573 QBHCQAFSUAXGOP-UHFFFAOYSA-N 305.337 3.161 0 40 DGAB C[C@H]1OCC[C@@H]1NC(=O)C1(Sc2ccccc2)CCCC1 95449902 RYSIOUXTBIQNHJ-HIFRSBDPSA-N 305.443 3.385 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCCC1=O)c1ccccn1 95479927 UEOXFDURPHDIGO-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB O=C(NC[C@@H]1CCCO1)Nc1ccc(Cl)c(OC(F)F)c1 96003121 KPDKUUDDRCFMLC-VIFPVBQESA-N 320.723 3.242 0 40 DGAB CC(C)C[C@H](C)OCCC(=O)Nc1ccc(C(F)(F)F)nn1 96006623 IDPQHDGQBMUZHP-JTQLQIEISA-N 319.327 3.275 0 40 DGAB CCOc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)cc1 96019427 GFLBNQASEUQVIE-FOWTUZBSSA-N 323.348 3.438 0 40 DGAB Cc1nc(C(=O)NCc2nc3ccccc3[nH]2)c(C(C)C)s1 96231183 ZAOZBEVKVASLOY-UHFFFAOYSA-N 314.414 3.381 0 40 DGAB Cc1ncsc1CCOC(=O)c1c(Cl)nc2ccccn12 96404072 OHRXYMQFGQTIQR-UHFFFAOYSA-N 321.789 3.152 0 40 DGAB Cc1cc(Cl)cc(NC(=O)Cc2c(C)noc2Cl)c1O 96408948 MCGYHOKLZJCYLE-UHFFFAOYSA-N 315.156 3.485 0 40 DGAB Cc1ccc(CNC(=O)N[C@@H](C)Cc2ccc(C)s2)cn1 96415243 XNXOSWFAMUHNOE-LBPRGKRZSA-N 303.431 3.190 0 40 DGAB Cc1nc(CNC(=O)[C@@H](C)CCc2ccccc2F)oc1C 96430666 WMIIKTGLQZAJOI-NSHDSACASA-N 304.365 3.316 0 40 DGAB CCSCc1ccnc(NC(=O)NCc2cccc(C)n2)c1 97107700 GNJVPXDKQYZZKW-UHFFFAOYSA-N 316.430 3.360 0 40 DGAB CCc1ccsc1C(=O)N[C@H](C)c1nc(C)c(C(=O)O)s1 97235290 OIWKVORLTUZRMS-MRVPVSSYSA-N 324.427 3.265 0 40 DGAB Cc1cscc1C(=O)N[C@@H](C)c1nc(C)c(C(=O)O)s1 97235327 LKARWGZQICIMCC-QMMMGPOBSA-N 310.400 3.011 0 40 DGAB OC[C@H](N[C@@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 97371078 CFDTTZDAUOGONI-OLZOCXBDSA-N 305.365 3.224 0 40 DGAB CCC(=O)/N=c1/sc2cc(Br)ccc2n1CC 100878807 MJXNRDPPXQIQLN-WYMLVPIESA-N 313.220 3.323 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2nnc(S)n2C(C)C)C1(C)C 108899154 YMBBIVKFSHKNDP-YPMHNXCESA-N 322.478 3.002 0 40 DGAB C[C@H](Cc1ccoc1)NC(=O)c1ccccc1Br 206662808 QHZKJUPWMMIXFF-SNVBAGLBSA-N 308.175 3.403 0 40 DGAB COc1cccc(O[C@H](C)C(=O)NC[C@@H](C)c2ccccc2)c1 224427850 BTJIZGQBVBLJIN-HUUCEWRRSA-N 313.397 3.382 0 40 DGAB CCOc1cccc(N(CC)S(=O)(=O)c2cccs2)c1 225140325 QPBDFTQVSHHSGX-UHFFFAOYSA-N 311.428 3.362 0 40 DGAB CCOC(C)(C)C(=O)Nc1ccc(OC(C)C)c(C(=O)OC)c1 225813691 KYOWPWUIGUSUDF-UHFFFAOYSA-N 323.389 3.014 0 40 DGAB CC[C@H](OC[C@H](O)CN1C[C@H](C)C[C@@H](C)C1)c1ccccc1 253374754 NKYWMAGCRMHOMJ-RWQQGDIJSA-N 305.462 3.493 0 40 DGAB COc1ccc2[nH]c(CN3CCC[C@@H]3c3ccnc(O)n3)cc2c1 257290736 QECJPQOQKJLOON-QGZVFWFLSA-N 324.384 3.009 0 40 DGAB Cc1nc(Cn2ccnc2[C@@H]2CN(C)Cc3ccccc32)cs1 306143573 YFRKEUYTBJHQEO-QGZVFWFLSA-N 324.453 3.274 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1cnn(C[C@@H]2CCCCO2)c1 390825829 HBPYATIEYCEFMD-FVNWOWOISA-N 311.385 3.104 0 40 DGAB c1cncc(Nc2nncn2Cc2ccc(C3CCC3)cc2)c1 563622727 LIPTULHCKONSMU-UHFFFAOYSA-N 305.385 3.733 0 40 DGAB CC(C)c1ccc([C@@H]2CCCCN2C[C@@](C)(O)C(=O)O)cc1 566361670 LCTIYAYCVPSPOR-FUHWJXTLSA-N 305.418 3.173 0 40 DGAB Cc1noc([C@H](C)N(C)Cc2ccc3oc(C(=O)O)cc3c2)n1 581834832 BDDAGSKGIAOLQG-VIFPVBQESA-N 315.329 3.015 0 40 DGAB C[C@H]1Oc2ccccc2[C@H]1NC(=O)c1cnc(O)c2ccccc12 583666355 UUBRHKFNAVFXIW-DIFFPNOSSA-N 320.348 3.192 0 40 DGAB Cc1ccc(C[C@H]2[C@@H](O)CCCN2Cc2ncccc2C)cc1 643914916 ZFGDRPNIEXARGO-PMACEKPBSA-N 310.441 3.266 0 40 DGAB Cc1cc(C(=O)NCC2(c3ccsc3)CCOCC2)c(C)o1 952987954 ZWZSPEXXVMCBAR-UHFFFAOYSA-N 319.426 3.436 0 40 DGAB C[C@H]1[C@H]2CC[C@H](C2)[C@H]1CN(CCO)C(=O)c1ccc(Cl)cc1 167 LKJLMYKYKMDEBY-FAYQHZLMSA-N 321.848 3.457 0 40 DGAB Cc1cccc(/C=C/C(=O)Nc2cccc(Cn3cncn3)c2)c1 47233289 USUPYPDKZVEYJL-CMDGGOBGSA-N 318.380 3.287 0 40 DGAB CCC1=NN(C(=O)c2ccccc2C)[C@@](O)(c2ccccc2)C1 301857 HOGFOIJHCYHHNQ-IBGZPJMESA-N 308.381 3.452 0 40 DGAB CC(=O)Nc1cccc(OCC(=O)Nc2ccccc2Cl)c1 575734 OPVVSONDNRZKTP-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB Cn1ncc2c(N[C@H]3CCSc4c(F)cccc43)ncnc21 12486716 YBUTZYIXIGMHSZ-LBPRGKRZSA-N 315.377 3.151 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2ccccc2F)cn1 1358316 WQNNJMWRVOOBCY-UHFFFAOYSA-N 301.321 3.212 0 40 DGAB CC(C)[C@@H](NCc1nc2ccccc2c(=O)[nH]1)c1ccccc1 23674209 JEUOPDBTRRFNQA-GOSISDBHSA-N 307.397 3.410 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)c1ccc(OC)cc1O 23745309 BPPYUFYKBFTCJZ-UHFFFAOYSA-N 303.333 3.202 0 40 DGAB O=C1c2ccccc2N[C@@H](c2csnn2)N1c1ccccc1 54680028 OQWYLAKBBRPECI-OAHLLOKOSA-N 308.366 3.309 0 40 DGAB CCCCCC(=O)Nc1ccc(NC(=S)NC(C)=O)cc1 6240723 KTRXAUNAMCSJII-UHFFFAOYSA-N 307.419 3.038 0 40 DGAB CCSc1nnc(Cc2ccc(OC)c(OC)c2)n1CC 7605424 OKKDZGHFJLZOSE-UHFFFAOYSA-N 307.419 3.018 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 7703752 KDZAFQJXAUWYQO-SECBINFHSA-N 319.304 3.338 0 40 DGAB COc1cc(C(=O)N[C@@H](C)CCC(C)C)cc2c1OCCO2 84510231 OBAQBYUTGGQLLJ-LBPRGKRZSA-N 307.390 3.021 0 40 DGAB COC(=O)c1cccnc1Sc1nnc(NC(C)(C)C)s1 24975414 FPHFQEUCRXOUSF-UHFFFAOYSA-N 324.431 3.081 0 40 DGAB c1csc(-c2nnc(Sc3ccc4nccnc4n3)o2)c1 95395427 PVQSZQTZGBLHLF-UHFFFAOYSA-N 313.367 3.288 0 40 DGAB Cc1ccc(-n2nc(CSc3nccn3C)cc2O)cc1C 9937172 SLAABMSWKUJLMQ-UHFFFAOYSA-N 314.414 3.221 0 40 DGAB O[C@H](Cn1cnc2ccccc21)c1ccc(OC(F)F)cc1 58135413 OJJHLUMACGNPBE-OAHLLOKOSA-N 304.296 3.371 0 40 DGAB COc1ccc(CNc2nc(C)c(C(C)=O)s2)cc1OC 58265535 VHWSNCVANNTGLQ-UHFFFAOYSA-N 306.387 3.283 0 40 DGAB COC(=O)CCCCCNC(=O)c1occc1-c1ccccc1 23020878 ZKRXTFBBKKEBBW-UHFFFAOYSA-N 315.369 3.410 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Nc2ccccc2F)cc1 3343858 JYKDGFXYPBJNNL-NSHDSACASA-N 300.333 3.467 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc2c(s1)-c1ccccc1CC2 12811848 HNTRGJINOBFRAU-CQSZACIVSA-N 313.422 3.423 0 40 DGAB Cc1ccc(-n2[nH]c3nccc(-c4ccc(O)cc4)c3c2=O)cc1 10157156 LQANNWBERVCSJG-UHFFFAOYSA-N 317.348 3.395 0 40 DGAB CO[C@@H](C(=O)NCc1ccccc1N1CCCC1)c1ccccc1 60409132 OQFDYMUIHWTPCB-LJQANCHMSA-N 324.424 3.291 0 40 DGAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3C(C)(C)C)nc2n1 2625580 UDIOXBCTVPABAT-UHFFFAOYSA-N 323.400 3.291 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N(C)Cc1ccccc1 47195021 GSTNPCYFJPTIOH-UHFFFAOYSA-N 324.409 3.181 0 40 DGAB O=C1c2ccccc2C(=O)N1CCSc1ccc(F)cc1 3512079 VESGZBSRJZHFGM-UHFFFAOYSA-N 301.342 3.214 0 40 DGAB CCc1ccc(N[C@H]2NC(=O)/C(=C/c3cccnc3)S2)cc1 408779937 OATBBHVGMIFMIV-MJSCBBHESA-N 311.410 3.244 0 40 DGAB COC(=O)[C@H]1CN(c2ccccc2)C[C@H]1C(=O)c1ccc(C)cc1 4053413 PAGXKYMJVPYEDR-MSOLQXFVSA-N 323.392 3.103 0 40 DGAB Cc1ccc(NC(=O)C(=O)Nc2ccc3ccccc3n2)cc1 72286797 WEOKWITVSFVHSG-UHFFFAOYSA-N 305.337 3.120 0 40 DGAB Cc1nc(CC(C)C)c(NC(=O)NCc2ccccn2)s1 84271644 ZVSBQXMCQTXPPD-UHFFFAOYSA-N 304.419 3.367 0 40 DGAB Cc1nnc(CSc2nnc(-c3ccc(Cl)cc3)n2C)o1 4287067 IZUVYFXLLGVITE-UHFFFAOYSA-N 321.793 3.119 0 40 DGAB O=C(CCC(=O)c1ccccc1)OCC(=O)c1ccc(F)cc1 4544786 NRMWPGFBKBKTIK-UHFFFAOYSA-N 314.312 3.215 0 40 DGAB COc1cccc(OC)c1OC(=O)[C@@H](C)Oc1ccc(C)cc1 6639602 NFZKYTWHASKHAA-CYBMUJFWSA-N 316.353 3.385 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1cc(F)ccc1F 9385082 BRXSOIKQVXOYGN-UHFFFAOYSA-N 320.295 3.184 0 40 DGAB CC(=O)c1cccc(NC(=O)CSCc2c(C)noc2C)c1 5677472 AIWOBMRRAUNBOJ-UHFFFAOYSA-N 318.398 3.366 0 40 DGAB Cc1ccc2occ(CC(=O)NCc3ccc4c(c3)OCO4)c2c1 6809743 PODNMCXLPBQJFK-UHFFFAOYSA-N 323.348 3.329 0 40 DGAB Cc1ccc(-c2nnc(SCc3csc(C)n3)n2N)cc1 6947182 YKSNUODULBRILI-UHFFFAOYSA-N 317.443 3.025 0 40 DGAB COc1ccc(-n2c(=S)sc3c(=O)[nH]c(=S)[nH]c32)cc1 67172645 LYPRIGZNRBTMNC-UHFFFAOYSA-N 323.424 3.176 0 40 DGAB O=C(OCc1cc(-c2ccccc2)on1)c1cn2ccccc2n1 7153626 GSAZOGJCOYPYLT-UHFFFAOYSA-N 319.320 3.346 0 40 DGAB CCSc1nc(=O)n(-c2ccc(Cl)cc2)c2c1CCC2 15840473 IEYMDCOCTIYGLJ-UHFFFAOYSA-N 306.818 3.487 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccc(F)cc1F 7758335 JRRMUOVUTFJNKB-UHFFFAOYSA-N 320.295 3.184 0 40 DGAB Cc1cc(CSc2nc3ccccc3c(=O)n2C2CC2)no1 7861768 ZJYMVEHQSHSPGY-UHFFFAOYSA-N 313.382 3.320 0 40 DGAB Cc1cc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)no1 7819913 WIFVRTSMJQDGKF-UHFFFAOYSA-N 317.326 3.054 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CN[C@H](C)[C@H](C)n1cccn1 69368398 DYEPKCCEIDOMOL-NEPJUHHUSA-N 309.845 3.133 0 40 DGAB O=C(CC(C1CC1)C1CC1)Nc1cc(C(F)(F)F)c[nH]c1=O 71830955 ZKJLLOOPSWUFKL-UHFFFAOYSA-N 314.307 3.159 0 40 DGAB COc1ccccc1N1CC[C@H](CNC(=O)C[C@H](C)C2CC2)C1 69420601 ZYUMRDKJAKTWSA-LSDHHAIUSA-N 316.445 3.074 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 69454324 ZJXNGMCLKJTIGH-INIZCTEOSA-N 315.392 3.425 0 40 DGAB COC(=O)c1c(C)nn(Cc2ccc(F)c3cccnc23)c1C 69663169 ULPJJQHXYJHIAA-UHFFFAOYSA-N 313.332 3.022 0 40 DGAB CCN(C)c1ccccc1NC(=O)c1cccc(NC(C)=O)c1 69669072 BEJDCFCVYKIJAA-UHFFFAOYSA-N 311.385 3.353 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)N1CCC(n2cc(C)cn2)CC1 71903954 VRRVYTAQHOONBR-KRWDZBQOSA-N 319.449 3.093 0 40 DGAB Oc1cccc(CNCc2nn(-c3ccccc3)c3c2CCC3)c1 69782555 GTULDISFSPJVRC-UHFFFAOYSA-N 319.408 3.356 0 40 DGAB CNC(=O)Cc1nc(CN[C@H]2CCCC[C@@H]2C(C)(C)C)cs1 72309159 VWBDLMMUWLIOSM-KBPBESRZSA-N 323.506 3.126 0 40 DGAB Cc1noc2nc(C(C)C)cc(C(=O)OCc3cncs3)c12 97377079 UXOZVZFHCUJNDB-UHFFFAOYSA-N 317.370 3.468 0 40 DGAB C[C@@H]1OCC[C@H]1C(=O)N[C@@H](c1c(F)cccc1F)C(F)(F)F 97055918 QRAHPGKXCTVERX-SXMVTHIZSA-N 323.261 3.109 0 40 DGAB C[C@H](CC(=O)N1CCc2cnccc21)C(=O)c1cccc(F)c1 73799340 RMFKCAPTPDCHDI-GFCCVEGCSA-N 312.344 3.019 0 40 DGAB CC(=O)Nc1cc(Cl)cc(-c2nc3ccccc3[nH]c2=O)c1 95939609 JQLDQBMNQRCVLL-UHFFFAOYSA-N 313.744 3.202 0 40 DGAB C[C@H]1CO[C@@H](c2ccccc2Cl)CN1C(=O)Nc1cn[nH]c1 75137122 PZHSOQJMBJKPBT-IINYFYTJSA-N 320.780 3.057 0 40 DGAB O=C(c1cccc(-n2cccn2)n1)N(CC1CC1)C1CCCCC1 89794146 PULHHCLGWWSQAM-UHFFFAOYSA-N 324.428 3.452 0 40 DGAB CCCn1nc(C)c(C(=O)Nc2ccc(C(=O)OC)s2)c1C 89960633 NNERZBASTBEZCD-UHFFFAOYSA-N 321.402 3.010 0 40 DGAB Cc1nn(C)c(C)c1C(=O)Nc1cccc(Oc2ccccn2)c1 76068337 YNJYLXBLKFUDSH-UHFFFAOYSA-N 322.368 3.477 0 40 DGAB CO[C@H](Cn1cnc2sc(C)cc2c1=O)c1cccs1 32580937 GZDVYWZRKOSLMJ-LLVKDONJSA-N 306.412 3.216 0 40 DGAB C[C@H](CNc1ccc(NS(C)(=O)=O)cc1)c1ccccc1 37076916 NWUIDMYZDXILOF-CYBMUJFWSA-N 304.415 3.274 0 40 DGAB O=C(Cn1ccc2ccccc21)N1CCn2c1nc1ccccc12 38488816 UYBBMHDFZHTHNK-UHFFFAOYSA-N 316.364 3.038 0 40 DGAB CN(CC1CCNCC1)C(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1 1524112031 BZBAJQGHHSXCAV-PMACEKPBSA-N 322.452 3.401 0 40 DGAB CC(C)c1nsc(NC(=O)c2cc3ccccc3n2C)n1 1534189198 CPKHPUXFYUTWQF-UHFFFAOYSA-N 300.387 3.406 0 40 DGAB O=C(Nc1cc(Cl)ccc1OCC1CCC1)N1CC[C@@H](O)C1 189365892 MTYXLNWBOWQSAO-CYBMUJFWSA-N 324.808 3.117 0 40 DGAB C[C@H]1CC[C@H](NC(=O)N(C)CC2(CO)CC2)c2ccccc21 187334601 KHINULWBJBPDGU-BBRMVZONSA-N 302.418 3.039 0 40 DGAB CC(C)N(CC(=O)NCc1ccccc1F)c1ccccc1 40009438 OTMOLBVSBRDHIU-UHFFFAOYSA-N 300.377 3.357 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1cc(F)ccc1Cl 72331783 BWZPUWGENOPWRH-UHFFFAOYSA-N 307.708 3.138 0 40 DGAB COc1cccc(CCNc2cc(C(F)(F)F)nc(C)n2)c1 613517263 UYEMGZDUAGQFKG-UHFFFAOYSA-N 311.307 3.467 0 40 DGAB Cc1cc(C)n(CCNC(=O)Cc2cccc3ccccc23)n1 44158884 HKWHUQZERXAAFY-UHFFFAOYSA-N 307.397 3.012 0 40 DGAB CCOC(=O)c1ccc(NC(=S)NC(C)C)cc1Cl 225270606 XOEQPHODDBUCJV-UHFFFAOYSA-N 300.811 3.212 0 40 DGAB CCc1noc([C@H]2CCCN(C(=O)CCC3CCCC3)C2)n1 41122331 GHTZGNYZGVTMSY-AWEZNQCLSA-N 305.422 3.308 0 40 DGAB COc1cccc(CNC[C@@H](O)c2cc3ccccc3s2)n1 191316480 WGMAYCCJHURUEL-CQSZACIVSA-N 314.410 3.128 0 40 DGAB CC[C@]1(CO)CCCN1C(=O)Nc1cccc(N(C)C(C)C)c1 190160676 OOHXOUVNQSHPOP-GOSISDBHSA-N 319.449 3.300 0 40 DGAB Cc1ncc(CNC(=O)N2CCC(c3ccsc3)CC2)o1 575889183 YKDDMQDSQMRGBY-UHFFFAOYSA-N 305.403 3.134 0 40 DGAB C[C@H](CN1CCCC[C@@H]1[C@@H]1CNC(=O)C1)c1cccc(Cl)c1 195573104 DATPRJIPIDVAQW-UKPHBRMFSA-N 320.864 3.434 0 40 DGAB CCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)n1C 222866967 LTUKRWJUVLSLCC-CVEARBPZSA-N 314.458 3.111 0 40 DGAB CC[C@H]1c2ccccc2CCN1C(=O)c1ccnc(C(=O)OC)c1 81760678 BSFUTUIJNUGEHJ-KRWDZBQOSA-N 324.380 3.018 0 40 DGAB Cc1ccc(CN2CC[C@H]3C[C@@H](c4ccnc(C)n4)O[C@@H]3C2)cc1 96046358 YYMDUOIGRXZJHW-YSIASYRMSA-N 323.440 3.446 0 40 DGAB CC(C)Oc1cccc(CN(C)C(=O)[C@H](N)c2ccccc2)c1 97234170 IVPHVFKDEXDCKK-GOSISDBHSA-N 312.413 3.132 0 40 DGAB Cc1ccc(SCC(F)(F)F)c(NC(=O)N(C)CCO)c1 96420268 BIESMAMAXJBRSJ-UHFFFAOYSA-N 322.352 3.105 0 40 DGAB O=C(N[C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1)c1ccco1 91059628 PPJZJMBYCZFZNH-GXTWGEPZSA-N 309.724 3.332 0 40 DGAB CC(C)NC(=O)c1cc(C(C)C)nc(N2CCCCCC2)n1 96192295 SRTAMRRRLSTBCW-UHFFFAOYSA-N 304.438 3.119 0 40 DGAB C[C@H](NC(=O)CN(C)[C@H](C)c1ccccn1)c1cccs1 96485808 VJBYOBUVBPPTJD-QWHCGFSZSA-N 303.431 3.013 0 40 DGAB c1ccc(Oc2ccc(CN[C@@H]3CCCn4ncnc43)o2)cc1 97236047 JHKWVEZDJHXHOA-OAHLLOKOSA-N 310.357 3.288 0 40 DGAB CN(C)C(=O)C[C@H](NCc1cc(F)cc(F)c1)c1ccccc1 97229830 TUCOQUADQDJPPP-KRWDZBQOSA-N 318.367 3.274 0 40 DGAB Cc1c(C)c(C)c(C(=O)OCC(=O)N(C)C2CC2)c(C)c1C 63953326 QGMIVLQZUPUTHO-UHFFFAOYSA-N 303.402 3.006 0 40 DGAB C[C@@H]1CCCN([C@H](CN)c2ccccc2OC(F)(F)F)C1 252093334 FALFGAHFGMNHNS-DGCLKSJQSA-N 302.340 3.317 0 40 DGAB O=C(c1cccc(F)c1F)N1CC[C@@H](Cc2nccs2)C1 257317700 VKVFRTQBSUFCOY-JTQLQIEISA-N 308.353 3.126 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)c2ccc3ccccc3n2)n1 257233083 GNRHZOJGJDAFTN-MRXNPFEDSA-N 306.369 3.244 0 40 DGAB CC[C@@H](NC(=O)[C@](C)(O)CCc1ccccc1)c1nccs1 252498844 RNIIPEIGQIQCFQ-RHSMWYFYSA-N 318.442 3.094 0 40 DGAB Cc1cncc(C2CCN(C(=O)/C=C/c3ccccc3)CC2)n1 257266330 MCOFTLASFAOUDE-BQYQJAHWSA-N 307.397 3.204 0 40 DGAB COCc1nnc2n1CCN(Cc1cccc3ccccc13)[C@H]2C 585098065 SYMMGVIPLLQOOB-AWEZNQCLSA-N 322.412 3.155 0 40 DGAB Cc1cc(C(=O)N2CC[C@H](c3ccc4c(c3)CCO4)C2)c(C)o1 585149017 QPYBMRCYTOUXEJ-INIZCTEOSA-N 311.381 3.461 0 40 DGAB Cc1cnc(OC[C@H]2CCCN(CCc3ccccc3)C2)nc1 1776001031 VPJNOAHOZOFQBN-SFHVURJKSA-N 311.429 3.119 0 40 DGAB CCOc1ccc(CN(C)C(=O)Nc2c(C)noc2C)cc1 60343578 UCQJTUHGDVEFGL-UHFFFAOYSA-N 303.362 3.354 0 40 DGAB COC(=O)CN(Cc1ccccc1)Oc1ccc(Cl)cc1 5526150 MTOOHOHKUOEABI-UHFFFAOYSA-N 305.761 3.309 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)Sc2ccccn2)c1 5622218 JVQDYPHOTHQSPO-LBPRGKRZSA-N 300.383 3.404 0 40 DGAB COc1cccc(-c2cc(CC(=O)NCc3ccccc3)no2)c1 12865292 ALGZIYRFYHYVGY-UHFFFAOYSA-N 322.364 3.209 0 40 DGAB Cc1nn2c(C)c(C(=O)O)cnc2c1-c1cccc(Cl)c1 15423882 KGQWCTTVAVRLFJ-UHFFFAOYSA-N 301.733 3.365 0 40 DGAB CCc1ccccc1NC(=O)CCc1nc(-c2ccco2)no1 15669583 IACQHRDKEVXGBI-UHFFFAOYSA-N 311.341 3.463 0 40 DGAB COc1ccc(CC(=O)NCCCc2ccccc2)cc1F 18079399 GJPBGJKYVUGWKW-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB C[C@@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 157128098 FUGNQFUPHMWKLQ-HIFRSBDPSA-N 304.434 3.135 0 40 DGAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)CC(C)(C)C)cc1c32 101078448 QEDKLQLSQSMMDL-LLVKDONJSA-N 300.402 3.458 0 40 DGAB COc1cc(NC(=O)c2ccc(C)cc2)cc2sc(N)nc12 226309672 SZBMRJJBGZZZCN-UHFFFAOYSA-N 313.382 3.448 0 40 DGAB COc1cccc(-c2cc(CC(=O)N3CCCC[C@H]3C)no2)c1 12864960 QMRRTHKMJTYQQF-CYBMUJFWSA-N 314.385 3.294 0 40 DGAB S=C(NCc1ccco1)N[C@H]1CCSc2ccccc21 5239569 RDRBFADAMCXCCN-ZDUSSCGKSA-N 304.440 3.481 0 40 DGAB Cc1cnn(CC2CN(Cc3cccc(C(F)(F)F)c3)C2)c1 1848614008 AVDBSYUBBAIAMV-UHFFFAOYSA-N 309.335 3.342 0 40 DGAB Cc1cc2ncc(NC(=O)c3c(F)cccc3Cl)cn2n1 206736961 UBJAOQVZOYCRSC-UHFFFAOYSA-N 304.712 3.083 0 40 DGAB Cc1nnc(NC(=O)c2ccc(Oc3nccs3)cc2)s1 225635678 JUPNVIWAGWECAO-UHFFFAOYSA-N 318.383 3.348 0 40 DGAB COc1cc(C(=O)c2cc(F)cc(F)c2)cc(OC)c1OC 13779477 MNMZMPZMZXEETI-UHFFFAOYSA-N 308.280 3.222 0 40 DGAB C[C@]12CC[C@@H]3[C@H](C[C@@H]4O[C@@]45C[C@@H](O)CC[C@]35C)[C@@H]1CCC2=O 5359865 RPCXNBAEOGUYLZ-WCZYHURZSA-N 304.430 3.090 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)cn2)c(C)n1-c1nccs1 103071958 UEYQYRMZFUMLKY-UHFFFAOYSA-N 316.361 3.337 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@@H]1CCC2=O 118913916 MGUDNDBPVZPSQA-JOFNPIDHSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro O=C(COCC1CC1)Nc1nc(-c2ccc(F)c(F)c2)cs1 40129017 ASJMPVWIVSSXRO-UHFFFAOYSA-N 324.352 3.453 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CNCc2cccnc2-n2cccn2)o1 30902311 VBRKQIZXGWSQDF-CZUORRHYSA-N 308.385 3.274 0 40 DGAB O=C(Nc1ccc(-n2cccn2)cc1)c1n[nH]c2ccccc12 20452752 XKIGAZHLNSKEAI-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB CCCc1nnc(NC(=O)COc2c(C)ccc(C)c2C)s1 148504 DLWRKQDZQLYQDL-UHFFFAOYSA-N 319.430 3.433 0 40 DGAB Cc1cc(CN(C)C(=O)Nc2cccc(Br)c2)no1 40525296 OCGJCTFPZZLSAJ-UHFFFAOYSA-N 324.178 3.409 0 40 DGAB O=C(NCc1ccnc(OCC(F)(F)F)c1)c1cccs1 32295119 UWJSROBWDFKMBZ-UHFFFAOYSA-N 316.304 3.014 0 40 DGAB c1cc(CNc2nc3ccccc3o2)cc(Cn2cncn2)c1 52384809 AIQLCNMSFQXFHU-UHFFFAOYSA-N 305.341 3.080 0 40 DGAB Cc1cc2cc(NC(=O)c3cc4c(cc3O)OCO4)ccc2[nH]1 52589278 GKMMCXVKAURCCP-UHFFFAOYSA-N 310.309 3.163 0 40 DGAB O=C(Nc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 32912679 HUQJAMXWSKCTSG-SFHVURJKSA-N 309.413 3.473 0 40 DGAB O=C(c1ccco1)N1CCC(NCc2ccc(Cl)s2)CC1 42206476 BRDMWMRZDPMQFT-UHFFFAOYSA-N 324.833 3.389 0 40 DGAB NC(=O)c1ccc(C(=O)OCc2ccccc2C(F)(F)F)cc1 23046066 KRTFHVICKFGJLO-UHFFFAOYSA-N 323.270 3.161 0 40 DGAB CC(=O)N1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 324595 TWDJPVSAFRXMFL-LBPRGKRZSA-N 305.765 3.116 0 40 DGAB CC[C@H](CO)C(=O)c1ccc(OCc2ccccc2)cc1O 481585 INMOYFYTGKSHJJ-CQSZACIVSA-N 300.354 3.172 0 40 DGAB CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 2043996 LQRLGXYYXHXZES-INIZCTEOSA-N 316.788 3.026 0 40 DGAB C1COC2=C(O1)SC(=C1SC3=C(OCCO3)S1)S2 2379862 QFUHUWZDTBITGQ-UHFFFAOYSA-N 320.438 3.420 0 40 DGAB COC(=O)c1ccn(COc2c(Cl)cccc2Cl)n1 2537027 VVGFAICMONAAOE-UHFFFAOYSA-N 301.129 3.013 0 40 DGAB O=C1C(=O)N(C(=O)Nc2ccc(Cl)cc2)c2ccccc21 3155079 IGEUYBOUFWFNKH-UHFFFAOYSA-N 300.701 3.101 0 40 DGAB O=C(N1CCOCC1)N(Cc1ccccc1)Cc1ccccc1 3191973 AYFBTJLOOWYWEW-UHFFFAOYSA-N 310.397 3.141 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c1C 3316708 XCDHGMPGFJKKFV-XJKSGUPXSA-N 303.402 3.155 0 40 DGAB CCC(=O)N(CCOC)c1nc(-c2ccc(OC)cc2)cs1 4169357 MAHYUUFWUTWYLW-UHFFFAOYSA-N 320.414 3.208 0 40 DGAB Cc1cc(=O)[nH]c(SCCOc2ccc(Cl)c(C)c2)n1 4625631 BLVAXPJAKFEMOR-UHFFFAOYSA-N 310.806 3.211 0 40 DGAB COc1ccc(SCC(=O)NCc2ccc(C)cc2)cc1 5243785 ZADOLFHOVZIXTO-UHFFFAOYSA-N 301.411 3.412 0 40 DGAB CCCCN[C@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)O 5258911 PRMZVWVYVFBOOB-MRXNPFEDSA-N 314.385 3.011 0 40 DGAB COc1ccc(CNC(=O)COc2ccc(F)c(Cl)c2)cc1 5617032 YWRPXJKTFJCZDD-UHFFFAOYSA-N 323.751 3.183 0 40 DGAB CC(C)(C)c1ccc(NC(=O)CCNC(=O)c2ccco2)cc1 6786395 FWNCUZPIOFGEPT-UHFFFAOYSA-N 314.385 3.336 0 40 DGAB C[C@@H](NC(=O)Cn1ccc2ccccc2c1=O)c1ccc(F)cc1 9496925 BQIDCLYGNDZDHU-CYBMUJFWSA-N 324.355 3.018 0 40 DGAB CC(C)c1cc(C(=O)N2CCCCC[C@@H]2c2cnn(C)c2)no1 12232561 PKLDBFHOCLAMRM-OAHLLOKOSA-N 316.405 3.289 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)Cc1cccc(F)c1)c1ccccc1 12550409 KXQDNLGZZHFSFA-SFHVURJKSA-N 323.371 3.008 0 40 DGAB Cc1ccccc1OCCN(C)[C@H](C)C(=O)NC1CCCCC1 12762385 XWXLDRKMPLYQAN-MRXNPFEDSA-N 318.461 3.143 0 40 DGAB C[C@H](SC[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 12883173 IRNYKDWDLFGDHB-BLLLJJGKSA-N 305.443 3.415 0 40 DGAB Cc1ccc(C(=O)Nc2nnc(COc3ccccc3)s2)o1 13746666 LLEQWFJRPVPGAM-UHFFFAOYSA-N 315.354 3.271 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cn1)c1cccc2cccnc12 13947741 SPTKBQPNIPAXNZ-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB C[C@H](C(=O)Nc1ccccc1OC(F)F)N1CCCCCC1 14167319 MSCPGASUWWFZDS-GFCCVEGCSA-N 312.360 3.491 0 40 DGAB Cc1nc(CNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cs1 15832216 AXSLEDLXZIAPIJ-SNVBAGLBSA-N 324.833 3.497 0 40 DGAB CCC(=O)N1CCCC[C@@H]1c1nn(C)cc1-c1onc(C)c1C 19498803 OIQCKVOPSGWCTE-CQSZACIVSA-N 316.405 3.156 0 40 DGAB Cc1[nH]c2ccccc2c1[C@@H](c1cccnc1)N1CCN(C)CC1 19878989 ORIBYXUGQOLVKU-HXUWFJFHSA-N 320.440 3.208 0 40 DGAB CN1CCc2nc3sc(C(=O)c4ccccc4)c(N)c3cc2C1 19943117 PZZSZBRBEKPUQJ-UHFFFAOYSA-N 323.421 3.097 0 40 DGAB CC[C@@H]1Oc2cc(N)ccc2N(Cc2ccc(F)cc2)C1=O 19953829 QYUPDLLYVNNQCD-HNNXBMFYSA-N 300.333 3.112 0 40 DGAB Brc1ccc(-c2nnc(CN3CCCCC3)o2)o1 20939188 LPYICPGFZUOJQW-UHFFFAOYSA-N 312.167 3.078 0 40 DGAB CNc1nc(Nc2ccc(Cl)cc2C)c2cnn(C)c2n1 21873452 HIELEVQWLAHABJ-UHFFFAOYSA-N 302.769 3.110 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1ccc(Cl)cc1Cl 22397231 CPCAEDDGFADVHZ-UHFFFAOYSA-N 313.184 3.457 0 40 DGAB C[C@H](NC(=O)c1cc(F)ccc1Br)c1ccncc1 22881478 KGEBVOLUANJMNF-VIFPVBQESA-N 323.165 3.474 0 40 DGAB CCc1nnc(C2CCN(C(=O)c3cccc(C)c3)CC2)s1 23140749 GERNHJQTAAOBGK-UHFFFAOYSA-N 315.442 3.429 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(-c3ccn[nH]3)c2)cc1 24895073 PVVBTPXGTRSZHZ-UHFFFAOYSA-N 307.353 3.267 0 40 DGAB CC(=O)N/C(=C/c1ccccc1)C(=O)Nc1ccc(C)c(F)c1 26564795 GAVBTERUSICGMZ-LICLKQGHSA-N 312.344 3.250 0 40 DGAB O=C(NCc1ccco1)c1ccc(Cn2cc(Cl)cn2)cc1 27969516 RQNXOVLCLYOWQA-UHFFFAOYSA-N 315.760 3.108 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)c2ccc(F)c(F)c2)c1 30274922 JMPICNPPLHHQAP-SNVBAGLBSA-N 318.323 3.414 0 40 DGAB O=C(CC1CCCCC1)N1CCC[C@@H]1c1nnc2ccccn12 31501368 VKCJUVMKCWSFQR-OAHLLOKOSA-N 312.417 3.363 0 40 DGAB C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)NCc1cccs1 31687168 MLWXYVPSXGKMRF-GFCCVEGCSA-N 301.411 3.321 0 40 DGAB CCOC(=O)Nc1ccccc1C(=O)NOCc1ccccc1 32117876 KZZWBJFSKJSZAN-UHFFFAOYSA-N 314.341 3.117 0 40 DGAB Cc1nc(/C=C/C(=O)Nc2cccc(Cn3cccn3)c2)cs1 32468852 CRHRAFACPWTFIX-VOTSOKGWSA-N 324.409 3.348 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)[C@@H]1CC(c2ccccc2)=NO1 33147229 ZUCSMISRDSKSOC-ZDUSSCGKSA-N 320.270 3.236 0 40 DGAB Clc1cccc(COc2ccccc2CNc2nnn[nH]2)c1 35287343 VSHLOVQDUBIOKF-UHFFFAOYSA-N 315.764 3.044 0 40 DGAB CC[C@@H]1CCCCN1Cc1cc(=O)n2cc(Cl)ccc2n1 36869666 QVHFAMAWDPXLLD-CQSZACIVSA-N 305.809 3.112 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3ccc(=O)oc3)c2)cs1 38488332 LLVGEQCPJNNPDF-UHFFFAOYSA-N 312.350 3.324 0 40 DGAB Cc1nn(C)c2ncc(C(=O)N[C@@H](C)CCCC(C)C)cc12 40040216 DTGCHBFNIKSXAT-LBPRGKRZSA-N 302.422 3.221 0 40 DGAB Cc1ccc(NC(=O)c2cn(-c3ccccc3)nn2)cc1Cl 40073365 UQUUDARJGWGEMO-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB CN(c1ccccc1)c1ccccc1NC(=O)c1cnccn1 40114463 AEADOEJIHFOIAD-UHFFFAOYSA-N 304.353 3.497 0 40 DGAB O=c1[nH]c(N2CCCC2)nc2nccc(/C=C/c3cccs3)c12 40388560 KIXPQKXNNWYFOE-AATRIKPKSA-N 324.409 3.150 0 40 DGAB O=C(Nc1cccc(OCCn2ccnc2)c1)c1ccccc1 42706619 HYETYHPHAFKQFR-UHFFFAOYSA-N 307.353 3.214 0 40 DGAB COc1ccccc1CC(=O)Nc1ccccc1-n1ccnc1 45860076 DIMCQRLZUQNOGK-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB Cc1cccc(OCCC(=O)N(C[C@H]2CCOC2)C2CC2)c1C 46939178 NXQPXYGWLHCJJS-MRXNPFEDSA-N 317.429 3.100 0 40 DGAB C[C@@]1(c2ccccc2)CC(=O)N(c2cc(F)ccc2F)C1=O 48311265 ZLPPKYUSCMNNES-KRWDZBQOSA-N 301.292 3.186 0 40 DGAB Cc1ccc(CN(C[C@H](O)COc2ccc(F)cc2)C2CC2)o1 51965557 SIAVEDDZDJFHGF-INIZCTEOSA-N 319.376 3.131 0 40 DGAB CCCCc1noc(CN(C)Cc2ccccc2OCC)n1 52163957 GAPBNJICEHEUCT-UHFFFAOYSA-N 303.406 3.443 0 40 DGAB O=C(NCc1ccoc1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 57188292 YBHKLXKPQXUWND-HOTGVXAUSA-N 318.348 3.138 0 40 DGAB COc1ccc(CCSc2nncn2Cc2ccco2)cc1 58055404 CSDAWINXMGVZFB-UHFFFAOYSA-N 315.398 3.263 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)CC[C@H]2CCCO2)cc1C 58246186 WUBCJRJHZURHOR-JKSUJKDBSA-N 305.418 3.146 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)n1C 65498263 LDFUVSXXEXYTRM-MRXNPFEDSA-N 318.804 3.201 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NCc1ccc(-c2ccn[nH]2)cc1 69390704 LNVNRAPCAQRCMQ-LLVKDONJSA-N 324.384 3.101 0 40 DGAB CCCNC(=O)[C@H](C)[S@@](=O)Cc1ccc(Cl)c(Cl)c1 69490573 AFZKDEWSMPFSRK-ZRNGKTOUSA-N 322.257 3.157 0 40 DGAB O=C(NCCc1ccccn1)[C@@H](OC1CCCC1)c1ccccc1 69570002 DBFYMBAHVSUCEG-IBGZPJMESA-N 324.424 3.441 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H]2c3ccccc3C[C@@H]2C)cc1 69772347 ITSVIQRZHRHAAC-RNODOKPDSA-N 322.408 3.237 0 40 DGAB O=C(c1cncc(Br)c1)N(CC1CC1)CC1CC1 70505831 MFKRKDPJCSQCCE-UHFFFAOYSA-N 309.207 3.106 0 40 DGAB CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCOC1=O 71857094 NSVABEDHXWSQTO-UHFFFAOYSA-N 317.389 3.297 0 40 DGAB COc1ccc(C2(c3nnc([C@H]4C[C@@H]4C)o3)CCOCC2)cc1 71889986 RJQXECAXZPDMDA-WFASDCNBSA-N 314.385 3.298 0 40 DGAB CCO[C@@H](C)c1nc(CN2CCC[C@H](c3ccn[nH]3)C2)cs1 72290817 GCHGGVGQFAZSME-STQMWFEESA-N 320.462 3.343 0 40 DGAB CC(C)(C)OC(=O)[C@H]1CCCN1C(=O)Nc1cccc(F)c1 72314082 GCJLTCIODIUHPU-CYBMUJFWSA-N 308.353 3.164 0 40 DGAB CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(C(C)C)C1 72370210 CMEYGQKQGDAWAL-GFCCVEGCSA-N 302.443 3.459 0 40 DGAB CC[C@@H](c1ccncc1)N(CC)C(=O)Cc1cn2ccccc2n1 75143917 GQGAYHXJDRFWHD-KRWDZBQOSA-N 322.412 3.272 0 40 DGAB O=C(Cc1ccccc1Cl)Nc1nc2c(s1)COCC2 75443339 JOOYYNKNBUROGO-UHFFFAOYSA-N 308.790 3.050 0 40 DGAB Cc1cc(C)c(C(=O)N[C@@H](C)c2cc(C)sc2C)c(=O)[nH]1 76713648 GJMIHROBNFNGBA-NSHDSACASA-N 304.415 3.161 0 40 DGAB FC(F)(F)c1cc(Br)ccc1N1CCOCC1 76761554 KTPVMSUPLNPGHW-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB C[C@H](CCCO)NC(=O)Nc1ncc(-c2ccccc2)s1 79074398 FROVJFBYSUFCFK-LLVKDONJSA-N 305.403 3.093 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1ccc([S@](C)=O)c(F)c1 80130307 RCUYRJMFYHMGCX-JOCHJYFZSA-N 320.389 3.227 0 40 DGAB COc1ccccc1/C=C/CNC[C@@H]1CCCn2cc(C)nc21 84257750 YVXWYKPJHPVNRK-JZLODUJNSA-N 311.429 3.381 0 40 DGAB O=C(C=C(C1CC1)C1CC1)OCc1cnn(-c2ccccc2)n1 84576808 WLGYUOQUGWABFP-UHFFFAOYSA-N 309.369 3.057 0 40 DGAB COc1cccc([C@@H](C)CC(=O)N2CC[C@H](CSC)C2)c1 84606170 XBMTZBYNMDDAAW-KBPBESRZSA-N 307.459 3.400 0 40 DGAB C[C@H]1CCC[C@@H]1NCc1cccc(C(=O)NCc2ccco2)c1 88684251 SEDNOVDHTBWYSY-KSSFIOAISA-N 312.413 3.488 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCCCOCC(F)(F)F 89618854 BNMBFBKAFMDWMA-UHFFFAOYSA-N 304.312 3.334 0 40 DGAB c1ccc(OCC2CC2)c(CNC[C@H]2CCCn3ccnc32)c1 89813991 QSKRNQVEWHAWAB-QGZVFWFLSA-N 311.429 3.339 0 40 DGAB C[C@@H](NC(=O)c1cccc2cc[nH]c12)[C@@H]1COc2ccccc21 89894445 SYXYUFMOEGSQDV-WBMJQRKESA-N 306.365 3.462 0 40 DGAB CC(C)(C)C(=O)Nc1nnc(CCOc2ccccc2)s1 95116355 JJRYBUWDQXOGPO-UHFFFAOYSA-N 305.403 3.144 0 40 DGAB COCCN1CCC(N[C@@H](c2ccccc2)c2ccco2)CC1 95419548 LMVAPFLKLCRTRZ-IBGZPJMESA-N 314.429 3.069 0 40 DGAB Cc1cc(N2CCC(Cn3ccnn3)CC2)c2ccccc2n1 95435645 PNEGNOIVMRFFMG-UHFFFAOYSA-N 307.401 3.051 0 40 DGAB CCn1c(SCc2nnc(C3CC3)o2)nc2cnccc21 95446270 FIFQKAOEEUGTGT-UHFFFAOYSA-N 301.375 3.004 0 40 DGAB CC(C)n1ccc2c(C(=O)Nc3nc(C4CC4)n[nH]3)cccc21 95479663 YKTZXEIRTVVKAD-UHFFFAOYSA-N 309.373 3.470 0 40 DGAB CCOc1cccc2cc([C@@H](C)NCc3nc(C)no3)oc12 95987879 OIKACWWEOCVHHS-SNVBAGLBSA-N 301.346 3.374 0 40 DGAB O=C(c1cccc(N2CCOC2=O)c1)N1CCCCCCC1 96402311 RJOVCETYXLUDOB-UHFFFAOYSA-N 302.374 3.050 0 40 DGAB CN(C[C@H]1CCN(Cc2ccccc2)C1)C(=O)/C=C/c1ccco1 96432964 ZZDAPLYYOVNWEW-QZEKMECESA-N 324.424 3.273 0 40 DGAB O=C(N[C@H]1CCO[C@H]1c1ccc(Cl)cc1)c1cscn1 96490921 XQYFMRBLLGVZIZ-AAEUAGOBSA-N 308.790 3.057 0 40 DGAB CC[C@H](C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518030 CIJQRINRHKAKNK-MRXNPFEDSA-N 302.395 3.360 0 40 DGAB CC[C@@]1(C)Oc2ccc(NC(=O)Cn3nc(C)cc3C)cc2O1 97104343 BKEOXEKDIGTYGN-KRWDZBQOSA-N 315.373 3.036 0 40 DGAB c1cc(CN2CCN(Cc3cnc4ccsc4c3)CC2)ccn1 97376965 MWZWCZXWFNXITO-UHFFFAOYSA-N 324.453 3.009 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccccc1Cl)OC2=O 100260516 MONHAPHRAVDIBX-IRXDYDNUSA-N 321.804 3.078 0 40 DGAB COc1ccc(Br)c(CC(=O)N2C[C@H]3CC[C@H]2C3)c1 101717197 QTMBTADOUFVPAR-JQWIXIFHSA-N 324.218 3.011 0 40 DGAB C[C@H](N[C@H]1CCC(=O)N(C)C1)c1ccc(OC(C)(C)C)cc1 157127958 FUGNQFUPHMWKLQ-ZFWWWQNUSA-N 304.434 3.135 0 40 DGAB C[C@@H](NCCSCc1ccccc1)c1nnc2ccccn12 192779995 ASVIYZSTEPWRHG-CQSZACIVSA-N 312.442 3.313 0 40 DGAB CC1(C)CC(=O)c2ccc(OCc3cn4cccnc4n3)cc2O1 193594080 PMUCDPGREDEFPA-UHFFFAOYSA-N 323.352 3.052 0 40 DGAB CCCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CCC 225162370 BWYYABJPYHTDHE-KRWDZBQOSA-N 318.461 3.429 0 40 DGAB CSc1nnc(NC(=O)c2ccc3c(c2)CCCC3)s1 225636009 TVCXCTATGIAKEI-UHFFFAOYSA-N 305.428 3.391 0 40 DGAB COC(=O)c1cc(-c2c(F)cccc2Br)on1 260360174 TYORXBXDBVPZJJ-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB Cc1cc(=O)c(C(=O)Nc2ncc(C(C)C)s2)cn1C1CC1 283262521 DHCXIPRESKOBRH-UHFFFAOYSA-N 317.414 3.324 0 40 DGAB COc1cccc(CC(Cc2cccc(OC)c2)C(=O)O)c1 315206030 MUWGLBBBCKEMKO-UHFFFAOYSA-N 300.354 3.190 0 40 DGAB CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(C)cc2)cc1C 408602684 FHPZVHDJHWIDJH-UHFFFAOYSA-N 318.398 3.063 0 40 DGAB Cc1ccc(C)c(C[C@@H](CC(=O)O)NC(=O)OC(C)(C)C)c1 1772714751 QGJLJXOIWQHSDN-AWEZNQCLSA-N 307.390 3.214 0 40 DGAB O[C@@](CNc1ncc(Cl)cn1)(c1ccoc1)c1cccs1 1775971099 WBOZZMKPRQTKQW-AWEZNQCLSA-N 321.789 3.133 0 40 DGAB Cc1nc(N2C[C@@H](C)O[C@H](C)C2)c2c3c(sc2n1)CCC3 126652 DNWBNBXHRMJPTB-NXEZZACHSA-N 303.431 3.102 0 40 DGAB COc1ccc(OC)c(NC(=O)COc2cccc(C)c2)c1 142266 GGYUETWMJWHECL-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB c1ccc(-c2nc3c4c5c(sc4ncn3n2)CCCC5)nc1 205920 RILGLWKIUZUWOU-UHFFFAOYSA-N 307.382 3.280 0 40 DGAB COC(=O)c1ccc(COc2ccc3ccc(=O)oc3c2)cc1 237732 LWAIKBPBGFCFBP-UHFFFAOYSA-N 310.305 3.159 0 40 DGAB biogenic C[C@]12CC=CC[C@@H]1C(=O)N(c1ccc(Br)cc1)C2=O 376812 DZAMMUDSEINOHR-DOMZBBRYSA-N 320.186 3.295 0 40 DGAB O=C(O)[C@@H]1[C@@H](c2ccccc2)CC(=O)N1c1ccc(Cl)cc1 1753222 DNEKUWFJUMEDPQ-ZBFHGGJFSA-N 315.756 3.314 0 40 DGAB Cc1nc(SCC(=O)Nc2cccc(F)c2)nc(C)c1C 2616388 ZURMCJOOLQPXCM-UHFFFAOYSA-N 305.378 3.272 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2F)cc1 3388307 GBMZZCAMFTXLBI-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB COc1ccc(CNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1 3611725 DZGHIDLNAONEBF-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB CCCC[C@@]1(c2ccccc2)SC(NC(C)=O)=NN1C(C)=O 4143706 HDIMNAZYMMAHLE-INIZCTEOSA-N 319.430 3.032 0 40 DGAB O=C(NCCC1=CCCCC1)C(=O)Nc1cccc(Cl)c1 4583590 MHVBQMGJNGDCRK-UHFFFAOYSA-N 306.793 3.285 0 40 DGAB CC(=O)CC[C@@]1(C)OC(=O)[C@@H](C)[C@@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@@H]21 4974620 NHZLUFNTQGVTCV-XDXCFIGLSA-N 320.429 3.319 0 40 DGAB CC1CCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)CC1 5045786 PWCKHMOBTVDNHT-UHFFFAOYSA-N 318.436 3.296 0 40 DGAB CC1(C)[C@@H](O)C(=O)C[C@]2(C)[C@H]1CC[C@]13C=C[C@](C)(C1)C(=O)C[C@H]23 5125150 KVDLINJXYLXARR-VFVHXTQTSA-N 316.441 3.304 0 40 DGAB in-man COc1ccc(COC[C@@H](O)CNC2CCCCCCC2)cc1 6941325 CUETUGYOIAAKHY-SFHVURJKSA-N 321.461 3.275 0 40 DGAB O=C(OCc1nc(-c2cccs2)no1)c1cccc(F)c1 7127841 UURZMMGGEOWUTQ-UHFFFAOYSA-N 304.302 3.294 0 40 DGAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)[C@@H]1CCCO1 7688570 AVVZVVKOMTUHAH-LBPRGKRZSA-N 310.325 3.206 0 40 DGAB COC(=O)c1sc2ccccc2c1NC(=O)c1ccccn1 7779006 GKXBVLSXSGGLSP-UHFFFAOYSA-N 312.350 3.335 0 40 DGAB O=C(COc1ccc2c(c1)OCO2)N(C1=CCCCC1)C1CC1 8389248 JIOHHOLTRNHAFJ-UHFFFAOYSA-N 315.369 3.243 0 40 DGAB Cc1cccc(NS(=O)(=O)c2c(C)c(C)cc(C)c2C)n1 9061861 MONLSOIOWPNFIO-UHFFFAOYSA-N 304.415 3.425 0 40 DGAB Cc1cc(C)c(NC(=O)CNC(=O)C[C@@H]2C=CCC2)c(C)c1 9156548 GDNKYYWMHVOFBK-OAHLLOKOSA-N 300.402 3.023 0 40 DGAB Cc1ccccc1C(=O)Nc1cccc(-c2ccc(=O)n(C)n2)c1 10324964 IDSJTOGKHJCKMV-UHFFFAOYSA-N 319.364 3.008 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1ccc(N2CCCC2)cc1 10429168 UANZQWQPFLTUDH-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB O=C(C1CC1)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1 11074057 PGNPDSQHWTYRBC-LBPRGKRZSA-N 320.389 3.357 0 40 DGAB COc1ccccc1C[C@H](C)NC(=O)c1ccc2nc(C)[nH]c2c1 12147258 POXQSJCGYSHGQS-LBPRGKRZSA-N 323.396 3.241 0 40 DGAB COc1ccc(C)c2s/c(=N\C(=O)c3ccccc3)n(C)c12 12514673 HYFLCTRQSIZHPA-ZCXUNETKSA-N 312.394 3.298 0 40 DGAB COc1ccc(-n2cnn(CN3CCC[C@@H](C)C3)c2=S)cc1 12534146 RZLYSNYVHNPQGH-CYBMUJFWSA-N 318.446 3.101 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Sc3cccc(N)c3)C2=O)cc1 13576114 HBFPGTQSIABSHX-OAHLLOKOSA-N 312.394 3.001 0 40 DGAB CSc1ccc(C(=O)CCC(=O)Nc2ccncc2)cc1 17586314 SLLYZXDUDAZXDS-UHFFFAOYSA-N 300.383 3.405 0 40 DGAB O=c1cc([C@H]2CCCCN2C2CCCC2)nc(-c2cccnc2)[nH]1 19340867 PGOMRJVITDRYGY-QGZVFWFLSA-N 324.428 3.302 0 40 DGAB CN(C)c1ncc(CN[C@H]2[C@H](c3ccccc3)[C@H]3CCC[C@H]32)cn1 19585564 NISXXCWSZBUJAB-WJFTUGDTSA-N 322.456 3.215 0 40 DGAB CCOc1ccc([C@@H]2NC(=O)c3ccccc3N2)cc1OCC 20244041 UWSOVUOHICQGDI-KRWDZBQOSA-N 312.369 3.338 0 40 DGAB CCCCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 21874518 VCIDTUDFSPNVJJ-UHFFFAOYSA-N 320.396 3.464 0 40 DGAB Cc1[nH]c2ccc(C(=O)Nc3ccc(N(C)C)nc3)cc2c1C 22394723 CJCKLXCNRBISQN-UHFFFAOYSA-N 308.385 3.498 0 40 DGAB C[C@@H](NC(=O)c1cc(F)ccc1Br)c1ccncc1 22881474 KGEBVOLUANJMNF-SECBINFHSA-N 323.165 3.474 0 40 DGAB Cn1ccc(NC(=O)c2cccc(NC(=O)OC(C)(C)C)c2)n1 24475526 KKFDDYYSTLSJSR-UHFFFAOYSA-N 316.361 3.019 0 40 DGAB CN(Cc1ccc(Br)s1)C(=O)NCC1CC1 25086206 SMZQOVUWFJJWAQ-UHFFFAOYSA-N 303.225 3.062 0 40 DGAB COCc1ccccc1CNC(=O)CCC(=O)c1ccccc1 25302893 AOXJBJOHTFARKS-UHFFFAOYSA-N 311.381 3.112 0 40 DGAB CCOc1cc(C(=O)NCc2cccc(OC)c2)ccc1OC 31437273 MOLUTIFHGGARJX-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB Cc1ccc(C(=O)Cn2cccc(C(F)(F)F)c2=O)cc1C 31814538 KYGAFQVGLYKPEN-UHFFFAOYSA-N 309.287 3.367 0 40 DGAB Cc1nc(Cc2ccccc2)sc1C(=O)NCc1ccncc1 31867926 DSDXLAXLOVQQMC-UHFFFAOYSA-N 323.421 3.367 0 40 DGAB O=C(CN1CCOCC1)c1cc2c(c3ccccc13)CCCC2 31924210 BJSZWPXYQJBAOT-UHFFFAOYSA-N 309.409 3.234 0 40 DGAB O=C(CC1CCCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 32809402 UJGPVZWRASYLKM-MRXNPFEDSA-N 316.401 3.323 0 40 DGAB CC(C)c1nc(CC(=O)N[C@@H]2CCOc3ccccc32)cs1 33219209 PZZKPCPJFVSMCC-CQSZACIVSA-N 316.426 3.449 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)Cc3cccs3)C2)cc1 38935482 TWIRHNGSBSVAKR-CQSZACIVSA-N 301.411 3.315 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)Nc1nncs1 40119122 KOGGMQWGDQKSSF-SNVBAGLBSA-N 306.391 3.275 0 40 DGAB CN(Cc1ccccc1)C(=O)CSc1nncc2ccccc12 40489942 DYIDOXXYYUEBIR-UHFFFAOYSA-N 323.421 3.381 0 40 DGAB CCCc1sc(C(=O)N[C@H](C)Cn2ccnc2)cc1CC 42510229 VPDDDCWMLOMNIH-GFCCVEGCSA-N 305.447 3.278 0 40 DGAB O=C(NCc1cccc(Cl)c1)C(=O)Nc1ccccc1Cl 42645734 MRJPYGAXXGQKAJ-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc3oc(=O)[nH]c3c2)o1 44755364 IKZJIJLDQVKDBT-RDWLMQIYSA-N 324.336 3.489 0 40 DGAB CC(C)[C@H](NC(=O)c1ccccn1)c1nc(-c2ccccc2)no1 48303466 AATUQUAAEWXPMI-HNNXBMFYSA-N 322.368 3.259 0 40 DGAB Cc1ccc2c(CN(C[C@@H](C)O)c3ccccc3)cc(=O)oc2c1 58425675 HNWJOOZPQORIEH-OAHLLOKOSA-N 323.392 3.489 0 40 DGAB C[C@H]1CCCN(C(C)(C)CNC(=O)/C=C/c2ccccc2F)C1 58427256 BRRBFZSELIDZRA-NKSUMMKUSA-N 318.436 3.466 0 40 DGAB CC(C)(C)OCCN1CCC[C@@H]1c1ccc2c(c1)OCCO2 60061742 JUJIXQQDBYIGAQ-OAHLLOKOSA-N 305.418 3.410 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)Nc3cccc(F)c3)C2)no1 69219325 MGVINJFDFJFQDY-LLVKDONJSA-N 318.352 3.183 0 40 DGAB Cc1cc(CN2CCC(c3nc(-c4ccccc4)no3)CC2)no1 69588891 JFRPLYUZJWTFLW-UHFFFAOYSA-N 324.384 3.413 0 40 DGAB CC[C@H](C)[C@H](C(=O)N1CCC2(CC1)OCCO2)c1ccccc1 69843315 WSSJZWMENZRKBB-RDJZCZTQSA-N 317.429 3.182 0 40 DGAB Clc1ccccc1-c1nc(CNCCn2cccn2)cs1 69973113 VCOHCYUTGJBCKC-UHFFFAOYSA-N 318.833 3.450 0 40 DGAB Cc1ccc(NC(=O)CSCC(=O)N[C@H](C)C(C)(C)C)cc1 71900028 PEIIDVBSXIAQHA-CYBMUJFWSA-N 322.474 3.218 0 40 DGAB Cc1cc(CC(=O)NCCOc2ccc(C(C)(C)C)cc2)no1 74041228 TXUJHWZQNJBFTI-UHFFFAOYSA-N 316.401 3.018 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)NC[C@H](C)C[C@@H](C)O 77660944 CWCBIICNBIFJII-MWLCHTKSSA-N 314.813 3.186 0 40 DGAB O=C(NCc1nccn1CCc1ccccc1)Nc1ccccc1 81521880 JHZDLAJSWZHZLO-UHFFFAOYSA-N 320.396 3.448 0 40 DGAB CC[C@H](CNC(=O)Cc1csc(C)n1)Oc1cccc(F)c1 84561080 LRMDQKXWDCZQRH-CQSZACIVSA-N 322.405 3.107 0 40 DGAB C[C@@H](CCNC(=O)c1ccsc1)N(C)C(=O)OC(C)(C)C 84637285 NXBGDLNHWDCIHU-NSHDSACASA-N 312.435 3.123 0 40 DGAB OCC1CCN(Cc2cccc(NCc3ccoc3)c2)CC1 89780596 AXUWDIJFGUCCIP-UHFFFAOYSA-N 300.402 3.096 0 40 DGAB COCC[C@H](C)NC(=O)N(C)Cc1ccc(Cl)c(F)c1 89895599 QCLVCRXYBPCDHZ-JTQLQIEISA-N 302.777 3.046 0 40 DGAB c1cnn(Cc2ccc(CNc3ccnc(C4CC4)n3)cc2)c1 95394653 GNOGVKBEFFHXQX-UHFFFAOYSA-N 305.385 3.211 0 40 DGAB C[C@@H](Cc1cccc(F)c1)NC(=O)N(C)Cc1nccs1 95405664 KLWBWUBDKYXPBO-NSHDSACASA-N 307.394 3.055 0 40 DGAB CC(C)[C@H]1CO[C@@]2(CCCN(C(=O)c3ccc(O)cc3)C2)C1 96222044 FZGBTTDKJBUPJS-QAPCUYQASA-N 303.402 3.060 0 40 DGAB CC(C)c1nc(NC(=O)c2ccccc2OC2CCC2)n(C)n1 96410990 NVYLLIBDSZWIFP-UHFFFAOYSA-N 314.389 3.122 0 40 DGAB COCCOc1cccc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)c1 96434150 DDWXSQJIAOEAGJ-GASCZTMLSA-N 316.401 3.142 0 40 DGAB C[C@@H](C(=O)N[C@H](CC(=O)O)c1cccs1)c1cccs1 96479658 VBFWOXNOOZQLDI-NXEZZACHSA-N 309.412 3.245 0 40 DGAB COc1cc(CN[C@H](CN(C)C)c2ccccc2)cc(OC)c1 96971433 AJPGNIGEUQHKEO-LJQANCHMSA-N 314.429 3.096 0 40 DGAB Cc1ccc([C@@H](C)N[C@H]2CCN(C(=O)C3CCCC3)C2)s1 97017340 KKVDOIGYEGFFOO-HIFRSBDPSA-N 306.475 3.498 0 40 DGAB CCS(=O)(=O)c1ccc(CNc2ncccc2Cl)cc1 97037248 WGABVCWOFCNZRQ-UHFFFAOYSA-N 310.806 3.141 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H](CCC(=O)O)C1 97039530 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OKNGKXGCTQYOTP-UHFFFAOYSA-N 312.085 3.053 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)NCCc2cscn2)c1 96408458 JUHLWAQWKGRXNX-UHFFFAOYSA-N 315.442 3.024 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N[C@H](C)c1cnn(C(C)C)c1 96486739 WJHKWQBFJDYSCD-NWDGAFQWSA-N 317.437 3.175 0 40 DGAB CCO[C@H](C)C(=O)N[C@H](c1cccc(F)c1F)C(F)(F)F 97371986 ISQNORQPIBLZKR-RDDDGLTNSA-N 311.250 3.109 0 40 DGAB Cn1nc(CNC(=O)Nc2ccccc2Cl)cc1C1CC1 96099379 FEQPESQQOBZYQW-UHFFFAOYSA-N 304.781 3.273 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(NC(C)=O)cc1 96456053 WABXYOCMXSEWGK-JKSUJKDBSA-N 320.458 3.439 0 40 DGAB Cc1cc(CNC(=O)Nc2ccc(OC(C)C)c(C)c2)no1 96435269 YMZZHHLIJCIPOF-UHFFFAOYSA-N 303.362 3.400 0 40 DGAB CC(C)n1nccc1CN1Cc2nccn2C[C@@H]1c1ccccc1 257264198 LTHQDRPIVGLGIT-GOSISDBHSA-N 321.428 3.418 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257220746 DLZCUEURCQPFIZ-OAGJVSPASA-N 307.397 3.204 0 40 DGAB COc1cccc(C(=O)[C@H](Br)CBr)c1 382705282 SDAAULYHJMYTBH-SECBINFHSA-N 321.996 3.036 0 40 DGAB O=C(NCCn1ccc(-c2cccs2)n1)c1ccsc1 96103803 VWACWAFJUPXIDI-UHFFFAOYSA-N 303.412 3.103 0 40 DGAB COc1ccccc1CN1CCC(n2cnc3cccnc32)CC1 72346343 UMSRNXKLXVQREL-UHFFFAOYSA-N 322.412 3.277 0 40 DGAB C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1ccccn1 37301100 DGBGFGWNHQEAGU-NSHDSACASA-N 304.777 3.357 0 40 DGAB CC(C)(C)n1cc(NS(=O)(=O)c2ccccc2Cl)cn1 49419621 DQNYVXUFACWDKG-UHFFFAOYSA-N 313.810 3.092 0 40 DGAB Cc1csc(C(=O)N2CCC(N(C)c3ccccn3)CC2)c1 1889097229 ACVJJUVDBYCUTJ-UHFFFAOYSA-N 315.442 3.193 0 40 DGAB O=C(NCc1ccco1)N1CCSC[C@@H]1c1ccccc1 75613241 DCKPRAPXFBPRNO-OAHLLOKOSA-N 302.399 3.279 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(C)on2)cc1 98014122 SZBACGPWDSXYKL-RDJZCZTQSA-N 314.385 3.189 0 40 DGAB CC(C)NC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 45421 FWZACQQVGSBQIT-LBPRGKRZSA-N 324.686 3.035 0 40 DGAB C[C@H](N[C@H](C)CCS(C)(=O)=O)c1cc2ccccc2s1 188158114 ZMBNVSAEEDDTAS-NEPJUHHUSA-N 311.472 3.375 0 40 DGAB CCn1c([C@H](CC(C)C)NC(=O)C2CC2)nc2cccnc21 12114131 WCXWLXBIYYAOJB-AWEZNQCLSA-N 300.406 3.065 0 40 DGAB Cc1ccc(CN(C)CC(=O)NCc2ccccc2Cl)cc1 13097176 AECNGJNXFCHSBK-UHFFFAOYSA-N 316.832 3.397 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1NC(=O)c1ccc(C)cc1 226357043 GJFMFHYBTACSNS-UXBLZVDNSA-N 311.337 3.354 0 40 DGAB CCCN1C(=O)C(C)(C)COc2ccc(NC(=O)C(C)C)cc21 8959705 SBWZSCNXOLYXKQ-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cc1cc(F)cc(-c2noc(C[C@H](O)Cc3ccccc3)n2)c1 581518519 GNQZNOHLMINOLW-MRXNPFEDSA-N 312.344 3.330 0 40 DGAB Cc1noc(C)c1CSCc1cc(=O)n2c(C)csc2n1 6784860 FBIITUFLIGWPDH-UHFFFAOYSA-N 321.427 3.103 0 40 DGAB c1cc2sc(N3CCC(Oc4nccs4)CC3)nc2cn1 2086886918 DAIIYHQNAJJZOL-UHFFFAOYSA-N 318.427 3.196 0 40 DGAB Cc1ccccc1NC(=O)NCc1nccnc1-c1cccnc1 575619081 GLVKIAUIRKLAKQ-UHFFFAOYSA-N 319.368 3.169 0 40 DGAB Brc1ccccc1-c1nnnn1-c1ccccc1 1512427 CNCBSOJBXQNDHP-UHFFFAOYSA-N 301.147 3.092 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC1(Cl)Cl)c1cccc(-n2ccnc2)c1 96432085 DGVAYTUUWCDVIO-ZWNOBZJWSA-N 324.211 3.243 0 40 DGAB COc1ccc(C(=O)N2CCCc3ccc(F)cc32)cc1OC 40117153 NOUGPZVLZANLAC-UHFFFAOYSA-N 315.344 3.436 0 40 DGAB Cc1cc(C)cc(Nc2nc3c(C)cccn3c(=O)c2C=O)c1 81658 VQUVZHSUTKJLAF-UHFFFAOYSA-N 307.353 3.176 0 40 DGAB COc1ccc(CN(C)C(=O)NCc2ccc(F)cc2)cc1 30984365 HWEAOEGQKSLUNJ-UHFFFAOYSA-N 302.349 3.176 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@H](N(O)c3ccccc3)C2=O)c(C)c1 101025508 SOLSBNNAFWBRAZ-INIZCTEOSA-N 324.380 3.140 0 40 DGAB O=C(NCC(F)(F)F)c1cc(-c2ccc(Cl)cc2)n[nH]1 32879171 WJLKDOKJDBWRSM-UHFFFAOYSA-N 303.671 3.022 0 40 DGAB O=C(Cc1ccc(-n2cccn2)cc1)N1CCc2ccccc21 32930937 RPBGQWVKMWDYRK-UHFFFAOYSA-N 303.365 3.004 0 40 DGAB CN(C)c1ccc(NC(=O)c2cccc(-n3cccc3)c2)cn1 22419795 PCFMGJUMQBSVEO-UHFFFAOYSA-N 306.369 3.191 0 40 DGAB CC[C@@H]1CCCCN1c1ccc(NC(=O)CCC(=O)O)cc1 818816 DMVITXLWUZPSOL-CQSZACIVSA-N 304.390 3.259 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1ccc(Cl)cc1 131830 WOXNBPHGDHNHFD-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1cc(C)c(C(=O)C[C@]2(O)C(=O)N(C)c3ccccc32)c(C)c1 316489 FUHJMIIWALDEEA-HXUWFJFHSA-N 323.392 3.049 0 40 DGAB c1ccc(-n2cnnc2SCc2cn3ccsc3n2)cc1 503548 IYNKTAHDZXZCSQ-UHFFFAOYSA-N 313.411 3.269 0 40 DGAB COc1ccc([C@@H]2C[C@H](OC(C)=O)ON2c2ccccc2)cc1 988103 LOKIDVKJGMLQDP-ZWKOTPCHSA-N 313.353 3.467 0 40 DGAB S=C(NCCc1ccccc1)NCCc1c[nH]c2ccccc12 1409243 GQSXTIGLXHOGMZ-UHFFFAOYSA-N 323.465 3.417 0 40 DGAB biogenic Cc1ccc(-c2csc(CCNC(=O)C(F)(F)F)n2)cc1 1415122 RLAIKMYWEDWPFQ-UHFFFAOYSA-N 314.332 3.340 0 40 DGAB CCCCCOC(=O)c1cccc(NC(=O)CNCC(C)C)c1 1671753 IBWDDISEODUDFD-UHFFFAOYSA-N 320.433 3.218 0 40 DGAB Cc1cc(NCCN(C)C)nc(Nc2ccc(Cl)cc2)n1 1687218 YIPYIUZKSAVEHB-UHFFFAOYSA-N 305.813 3.156 0 40 DGAB CCCCn1c(=O)c(C(=O)c2ccccc2)nc2ccccc21 2412531 CMXVODXHPCNOJA-UHFFFAOYSA-N 306.365 3.428 0 40 DGAB COc1ccccc1C(=O)CSc1nc(C)c(C)c(C)n1 2653615 XWZZOZLXCFHCCY-UHFFFAOYSA-N 302.399 3.385 0 40 DGAB O=C(O)c1ccccc1C(=O)Nc1ccccc1Br 3157491 ILHHDEYMJDMTLP-UHFFFAOYSA-N 320.142 3.400 0 40 DGAB O=S(=O)(NCc1ccccc1Cl)c1cccc(Cl)c1 3252992 ADXIHFNXZCZLNO-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB Cn1nnnc1SCC(=O)c1ccc(C2CCCCC2)cc1 3254815 FQQDYFLVLGFSES-UHFFFAOYSA-N 316.430 3.233 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1C 3319269 RZIKDUIJMCGJAL-HNNXBMFYSA-N 323.392 3.438 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2cccc(OC)c2)cc1C 3553149 RUQRBTZLKCOLEK-UHFFFAOYSA-N 319.382 3.494 0 40 DGAB Cc1ccc(C)c([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 4040471 GINHWNMIJHCFEI-ROUUACIJSA-N 320.392 3.473 0 40 DGAB biogenic CCC(C)(C)[C@H]1CCC(=O)[C@H]([C@@]2(O)C(=O)Nc3ccccc32)C1 4111697 WCACBDNVHOXDEM-BBEJJTJUSA-N 315.413 3.248 0 40 DGAB O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1ccncc1 4195226 GKXIGQSULUAJFA-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB C[C@H](CCc1ccccc1)NCCNC(=O)c1cccs1 4498190 WMOLIDUEDBXBTA-CQSZACIVSA-N 302.443 3.089 0 40 DGAB O=C(CN1CCCCC1)Nc1ccc(N2CCCCCC2)cc1 4895981 NLVIMYLAQLMQRQ-UHFFFAOYSA-N 315.461 3.491 0 40 DGAB O=C(NC/C=C\Br)N[C@H]1CCCc2ccccc21 5065341 AZOOAXBXLUHOCJ-PRUHKGEBSA-N 309.207 3.272 0 40 DGAB CCCc1cc(-n2ccnc2C)n2nc3nc(C)cc(C)c3c2n1 5209124 USNHABAPXZABBJ-UHFFFAOYSA-N 320.400 3.341 0 40 DGAB CC(=O)c1ccc(NC(=O)CN2CCCc3ccccc32)cc1 5687548 YVCDOMUXOJCIIK-UHFFFAOYSA-N 308.381 3.281 0 40 DGAB COc1ccc(N[S@@](=O)c2ccc(OC)c(C)c2OC)cc1 5721615 VVPHENDNFFKBIT-JOCHJYFZSA-N 321.398 3.156 0 40 DGAB Fc1ccc(NC(=S)NNC(=S)Nc2ccccc2)cc1 6644240 IUTSQBNYPSYYHI-UHFFFAOYSA-N 320.418 3.014 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1cccc(Cl)c1Cl 7405339 FVNHYWMYGCVYMQ-UHFFFAOYSA-N 321.185 3.399 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2nncs2)c1C 7766372 VERWTAYEZSHUQC-SECBINFHSA-N 309.416 3.049 0 40 DGAB COC[C@H](C)NC(=S)Nc1ccc(Br)c(C)c1 7785105 OXKHHUADSUELLD-VIFPVBQESA-N 317.252 3.079 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(N2CCCC2=O)cc1)c1ccccc1 7909432 SQHCNAIKWBCPEW-OAHLLOKOSA-N 322.408 3.233 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)c(O)c1 8242088 VRDYTNIXSVNAKQ-UHFFFAOYSA-N 324.380 3.009 0 40 DGAB COc1ccc(CNC(=O)c2c[nH]c3ccccc23)cc1OC 9305788 CMNVMRPXXIXAFB-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB CC(C)C[C@H](NC(=O)c1ccccn1)c1nc2ccccc2[nH]1 9364353 SZFWFAZOOZCBST-INIZCTEOSA-N 308.385 3.475 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCC2(c3ccccc3)CC2)c1 11901521 CRFDCBPAYNXHJG-UHFFFAOYSA-N 315.438 3.314 0 40 DGAB COc1ccc(Br)cc1-c1nc(C(=O)O)cs1 11962344 XHYRHIOGODKQLC-UHFFFAOYSA-N 314.160 3.279 0 40 DGAB Cc1cccc2c(C(=O)NCCCc3ccccn3)cc(O)nc12 12148574 OQOITZYPQRARNF-UHFFFAOYSA-N 321.380 3.006 0 40 DGAB Cc1cc(OC[C@H](O)CN2C[C@H](C)C[C@@H](C)C2)ccc1Cl 12170405 ASCOOIJCINVEAP-UMVBOHGHSA-N 311.853 3.366 0 40 DGAB CCOc1ccccc1O[C@H](C)C(=O)Nc1ccc(OC)cc1 12680086 AFJPWLLFXPPPCE-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB Cc1ccccc1OCCN(C)CC(=O)N[C@@H]1CCCC[C@@H]1C 12751296 OFTRZKHUUHQWAT-DOTOQJQBSA-N 318.461 3.001 0 40 DGAB CC(C)c1ccc(CSCCN2C(=O)NC(C)(C)C2=O)cc1 12976832 CGHQCGVZVMPMSB-UHFFFAOYSA-N 320.458 3.374 0 40 DGAB Cc1nc2nc(-c3ccccc3)cc(-c3ccccc3O)n2n1 13637469 QFTXHMZPTVMARU-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB Cc1ccc([C@H](CNC(=O)Cc2ccc(Cl)cc2)N(C)C)o1 15860146 KQGIQKYJWYGCCV-HNNXBMFYSA-N 320.820 3.203 0 40 DGAB O=C(Nc1ccc(C(=O)O)c(O)c1)c1ccc2ccccc2c1 20139119 LPOAACMSQDXTHT-UHFFFAOYSA-N 307.305 3.496 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)Nc1ccc(C(=O)O)c(O)c1 20457319 JLPKBRZSVPZGNN-FPYGCLRLSA-N 317.728 3.396 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)c2ccc(F)cc2F)c1 23142480 AXOHUDNLUCVDJL-UHFFFAOYSA-N 305.324 3.390 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1C(F)(F)F)c1cnn(C)c1 27919547 PQODYOUKTXUCSV-VIFPVBQESA-N 312.295 3.322 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(C)ccc2O)cc1F 32722405 CKTUYWZWQKXURX-UHFFFAOYSA-N 303.333 3.121 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)cs1 32826263 QVIWMKVUZBIJLY-VIFPVBQESA-N 321.377 3.074 0 40 DGAB C[C@@H](NC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 35313701 FGYNLHYPJDPKLK-NVXWUHKLSA-N 324.424 3.449 0 40 DGAB CC(C)C(=O)NCCNC(=O)c1sc2ccccc2c1Cl 36858936 PDRYSVXEFDUAGZ-UHFFFAOYSA-N 324.833 3.057 0 40 DGAB CC(=O)c1ccccc1NCC(=O)Nc1cc(F)ccc1F 36874939 SOXFQAVTFTULOJ-UHFFFAOYSA-N 304.296 3.218 0 40 DGAB COCCCCNC(=O)c1cc(-c2cccc(Cl)c2)on1 40536127 ATEKZCRMIJKPFU-UHFFFAOYSA-N 308.765 3.151 0 40 DGAB Cc1cccc(NC(=O)CCCc2nc(-c3ccccc3)no2)n1 44891352 IMZRGHJKHXYKKR-UHFFFAOYSA-N 322.368 3.401 0 40 DGAB Cc1ccc(CSCCNc2cn[nH]c(=O)c2Cl)cc1 52718737 XMZSIRQPEPFPCU-UHFFFAOYSA-N 309.822 3.077 0 40 DGAB Cc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCCO3)s1 53307183 GZFNLSLPDWKJQE-NSHDSACASA-N 303.383 3.319 0 40 DGAB O=c1ccccn1Cc1ccc(CNc2cccc(F)n2)cc1 57141031 SOLFKYLNZPRWNM-UHFFFAOYSA-N 309.344 3.043 0 40 DGAB CN1CCC(CCNC(=O)Nc2ccc(Cl)c(F)c2)CC1 58308998 BIRHOAPVDKFBRE-UHFFFAOYSA-N 313.804 3.333 0 40 DGAB CCOc1ccc(-c2csc(CCN3CCOC3=O)n2)cc1 59742811 WMGGFFLWIRAJEX-UHFFFAOYSA-N 318.398 3.204 0 40 DGAB Cc1ccc([C@@H]2CCCN2c2ncnc3c2cnn3C)cc1C 63859343 HTBXXOLHLRBFIJ-INIZCTEOSA-N 307.401 3.322 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CNc2cccc(F)c2N)CC1 67800695 SJNYKUZVFKDAJW-UHFFFAOYSA-N 323.412 3.467 0 40 DGAB Cc1cc(NC(=O)N(C)CCCOc2ccc(F)cc2)on1 69668887 LSHSJWPMVVUXAE-UHFFFAOYSA-N 307.325 3.055 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N1CCCN(Cc2ccccc2)CC1 71835190 VNEOFUMXQMVJTB-ZWKOTPCHSA-N 324.424 3.118 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1ccco1 71886314 KGZWTKZXJRSIGF-GFCCVEGCSA-N 305.305 3.229 0 40 DGAB C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1NC(=O)Nc1ccccc1 71909550 POWYUWMKRVMWIP-QAPCUYQASA-N 324.428 3.114 0 40 DGAB c1ccc(CN2CCC[C@@H]2c2cccnc2N2CCOCC2)cc1 72216211 NEYRVEFZNJBIQE-LJQANCHMSA-N 323.440 3.255 0 40 DGAB CC(C)[C@H]1CCCN1C(=O)C[C@@H]1Sc2ccccc2NC1=O 72273632 UTLPYOHMFNWAPG-HIFRSBDPSA-N 318.442 3.137 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Cc3nccs3)C2)s1 72385623 OYNFOLGONDWMON-LBPRGKRZSA-N 321.471 3.311 0 40 DGAB COc1ccc(C(=O)NCc2ccccc2OC)cc1Cl 74946816 VBVPAUPMVINJAO-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)o1 75126634 BLJJQLUPCFWSFP-ZDUSSCGKSA-N 322.405 3.060 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)Cc1cccs1 75602129 FTJCBJCIHRMDPG-LBPRGKRZSA-N 323.849 3.350 0 40 DGAB Cn1nccc1CNC(=O)[C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1 76041377 WDFZCZOSJLNLSZ-UONOGXRCSA-N 324.211 3.147 0 40 DGAB CC(=O)Nc1c(C)cc(NC(=O)CC(C)(C)CC(=O)O)cc1C 79382413 ZCSCKSCRAXQCBH-UHFFFAOYSA-N 320.389 3.091 0 40 DGAB Cc1ccc(CCC(=O)N[C@H](C)C[C@H](O)c2ccccc2)o1 89652896 PWELAQKTKCJXGY-DYVFJYSZSA-N 301.386 3.149 0 40 DGAB C[C@@H](O)C[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 89895300 ISZYECWOVMVINV-BXUZGUMPSA-N 321.808 3.125 0 40 DGAB CC(C)(CNC(=O)C[C@@H]1CCOC1)c1c(F)cccc1Cl 95403642 ROFIVIGHUPMFJT-NSHDSACASA-N 313.800 3.300 0 40 DGAB CN(Cc1cccnc1)Cc1ccn(-c2c(F)cccc2F)n1 95981759 VCYWKVAYVCVKEW-UHFFFAOYSA-N 314.339 3.178 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@H](CC(C)(C)C)C(F)(F)F)no1 95995198 YYAZZGSYCJPPCC-LLVKDONJSA-N 321.343 3.492 0 40 DGAB O=C(NC1CCN(c2nccs2)CC1)c1cccc(Cl)c1 96099826 HKHHOWNRIVHCQE-UHFFFAOYSA-N 321.833 3.195 0 40 DGAB O=C(c1ccsc1)N1CCC2(CCCN2CC2CC2)CC1 96227899 XSSQGAWZWMDFSE-UHFFFAOYSA-N 304.459 3.229 0 40 DGAB Cc1ncsc1CCN(C[C@H](O)c1ccc(F)cc1)C1CC1 96424450 RMCGUZCYGLZENF-INIZCTEOSA-N 320.433 3.331 0 40 DGAB Cn1cc(CCCCNC(=O)N2CCC3(CCCCC3)C2)cn1 96439811 ZCOOULSEVGOMNI-UHFFFAOYSA-N 318.465 3.109 0 40 DGAB O=C(CS[C@@H]1CCCCc2ccccc21)NC1CCOCC1 96448035 OSPGXAYXGBCGLX-QGZVFWFLSA-N 319.470 3.483 0 40 DGAB CCn1nc(C)c(NC(=O)NC[C@@H](C)c2nc(C)cs2)c1C 97113583 FGPLMYAXLWUWEY-SECBINFHSA-N 321.450 3.210 0 40 DGAB O=C1[C@@H]2[C@H](C(=O)N1C13CC4CC(CC(C4)C1)C3)[C@H]1C=C[C@H]2C12CC2 101309833 RZPKBKIEUXFXQC-YJGSUDIHSA-N 323.436 3.152 0 40 DGAB C[C@@H]1CN([C@H](C)c2nnc(-c3cccs3)o2)CC(C)(C)O1 106575275 RKNLEHUDVVDHAD-GHMZBOCLSA-N 307.419 3.358 0 40 DGAB Cc1ncsc1CN(C)C(=O)Nc1ccnn1[C@H](C)C1CC1 187720754 FCTNDTBBWNQDTJ-LLVKDONJSA-N 319.434 3.283 0 40 DGAB CCC[C@@H](C)NC(=O)c1snnc1-c1cccc(OC)c1 225767811 HLFVYALKIFOIQL-SNVBAGLBSA-N 305.403 3.132 0 40 DGAB C[C@@]12C=C[C@](C)(O1)[C@@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 226627680 KPLHLZRTFOXTCQ-JSJNYSNDSA-N 319.360 3.063 0 40 DGAB Cc1nc(C2(C)CCN(c3ccncn3)CC2)c2sccn12 257219441 DGTWFDJVCKQQES-UHFFFAOYSA-N 313.430 3.052 0 40 DGAB CN1CCC[C@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257233374 GPAMFOMUDCFJMB-OAHLLOKOSA-N 310.397 3.331 0 40 DGAB Cc1cc(-c2ccccc2C(=O)O)nc([C@@H]2CCCCN2C)n1 257285579 PHVYKKHKKNGZMF-INIZCTEOSA-N 311.385 3.307 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1 257289749 QAACJRTVPDJBCH-LBPRGKRZSA-N 301.419 3.073 0 40 DGAB O=S(=O)(N[C@@H](c1cccnc1)C1CC1)c1cccc(Cl)c1 330032413 MTKFKQBOLWVYKM-OAHLLOKOSA-N 322.817 3.165 0 40 DGAB CO[C@@H](C)c1nc(C)c(C(=O)N(C)c2ncccc2C)s1 330978059 MRMFGHNRGUPLBS-NSHDSACASA-N 305.403 3.139 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@H]2CCCC[C@H]2C)CC1=O 408709267 YRMGWGAZBILHLT-BMFZPTHFSA-N 314.429 3.043 0 40 DGAB Cc1cccc(N2CCN(c3ncc(Cl)cn3)CC2)c1C 479486504 DGDNQVKGGDMLPO-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB CC[C@H](C)[C@@H]1NC(=O)N(C[C@H](c2ccccc2)C(C)C)C1=O 558236903 RDKZXPQSZLJANW-BPUTZDHNSA-N 302.418 3.393 0 40 DGAB CCN1CCN[C@@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 585169364 ZOPIGRNWQWLLRE-FQEVSTJZSA-N 322.452 3.333 0 40 DGAB Clc1cnccc1OCC1CCN(Cc2ccccn2)CC1 1848575697 SQGQQQZBKYMJIN-UHFFFAOYSA-N 317.820 3.421 0 40 DGAB O=C(CC1CC1)NC[C@H](O)c1ccc(-c2cccs2)cc1 1888918053 KDGCOVJSKRPPFW-HNNXBMFYSA-N 301.411 3.365 0 40 DGAB CC1(C)NCC[C@@]12C(=O)N(Cc1ccccc1)c1ccccc12 103654 DDUFVSMGVTZHAR-HXUWFJFHSA-N 306.409 3.243 0 40 DGAB biogenic CCOc1ncnc2c1sc1nc3c(cc12)COC(C)(C)C3 215804 XBAUMBVKSISWRD-UHFFFAOYSA-N 315.398 3.490 0 40 DGAB CCc1c(C)sc(NC(=O)c2ccc(F)cc2)c1C(N)=O 253706 KZSFRFCSRNVXOH-UHFFFAOYSA-N 306.362 3.109 0 40 DGAB Cc1cccn2cc(-c3cccc(NC(=O)CCC(=O)O)c3)nc12 798152 XKXHYSCICRBKQY-UHFFFAOYSA-N 323.352 3.113 0 40 DGAB CC(C)CC(=O)N1CCN(C(=O)c2cccc3ccccc23)CC1 1456748 XORJYNSOYFRJCX-UHFFFAOYSA-N 324.424 3.170 0 40 DGAB COc1cc2c(cc1OC)[C@H](CNC(=O)/C=C/c1ccccc1)C2 1564836 HWLXMCMRERXUQW-FDMDGMSGSA-N 323.392 3.173 0 40 DGAB CC(C)C[C@@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 2016048 ZZOZYGHXNQPIPS-LJQANCHMSA-N 319.493 3.360 0 40 DGAB in-man Cc1ccsc1C(=O)OCc1nnc(-c2ccccc2)o1 2640382 KHZYHKDTGTYWAP-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB CC[C@@H](C(=O)NCCc1cn2ccc(C)cc2n1)c1ccccc1 2960940 UWWNKYCSTRTYIS-GOSISDBHSA-N 321.424 3.495 0 40 DGAB O=C(CSc1ncccc1C(=O)O)NC1CCCCCCC1 3287548 CQPPPECEHQPLBJ-UHFFFAOYSA-N 322.430 3.101 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COC(=O)c1ccccc1 3398310 JTRGFAQOXTWKRA-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c(C)o1 3464407 FYPXECUXEZQESF-JTQLQIEISA-N 322.748 3.129 0 40 DGAB CN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc(F)cc1 3553674 XVJMLOABKNTSMI-UHFFFAOYSA-N 320.751 3.190 0 40 DGAB COc1ccc2cc(C(=O)N3CCc4ccccc4C3)[nH]c2c1 5324626 PNWASFJIVFGXGH-UHFFFAOYSA-N 306.365 3.375 0 40 DGAB O=C(NC1CCCCCCC1)N[C@H](Cc1ccccc1)C(=O)O 5450784 MYOAUFUSCGJIEW-MRXNPFEDSA-N 318.417 3.094 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccccc1N1CCOCC1 5571989 OQLCXLCIEUYJQR-ZHACJKMWSA-N 308.381 3.175 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1ccccc1OC 6324141 STXMTLHPPBAFTQ-UHFFFAOYSA-N 312.369 3.087 0 40 DGAB O=C(c1cc(Cl)ccc1F)N1CCN(c2ccccc2)CC1 7069388 FWDBYAKOFQWJAC-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB Cc1cc(NC(=O)COC(=O)c2cccc(N)c2)ccc1Cl 7460669 NQLNZZRLOMEVAY-UHFFFAOYSA-N 318.760 3.026 0 40 DGAB COc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2C)cc1 8497657 OWXJOKQQGURERO-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB Cc1c(C(=O)Nc2cc(F)cc(F)c2)nnn1-c1ccccc1 8715119 MFDOLYXOYAVBLO-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)c3ccc[nH]3)n2C)cc1 8750886 SKNVOXOIWWDETJ-UHFFFAOYSA-N 312.398 3.094 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)Cc3ccccc3)c2c1 8765348 BPUXCTGXJXRWFX-UHFFFAOYSA-N 308.381 3.078 0 40 DGAB biogenic CSCC(=O)Nc1nc(-c2ccc(NC(C)=O)cc2)cs1 9450587 OSIODXQNPQJXEP-UHFFFAOYSA-N 321.427 3.070 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)NCCCc1nc2ccccc2[nH]1 9756353 HVBHYNNWYIWQGZ-ZIAGYGMSSA-N 314.433 3.373 0 40 DGAB Cc1cc([C@H]2CCCCCN2C(=O)c2c(C)noc2C)no1 12185814 LEGSJEJQVBLOEX-CQSZACIVSA-N 303.362 3.345 0 40 DGAB Oc1cc(O)nc(SCc2c(Cl)cccc2Cl)n1 13465020 LOBUFFFWNNSPCT-UHFFFAOYSA-N 303.170 3.487 0 40 DGAB CCOc1ccccc1CCCNC(=O)c1ccc(OC)cc1 13674079 YOPYVLZIGUXPHP-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB CN1CCn2c(nc3cc(NC(=O)Nc4ccccc4)ccc32)C1 13691190 XKJKTKQCPYOARQ-UHFFFAOYSA-N 321.384 3.126 0 40 DGAB Cc1cc(C)c2cc(CNCc3cccs3)c3nnnn3c2c1 13998130 OAIYOKHPGXJNRE-UHFFFAOYSA-N 323.425 3.246 0 40 DGAB O=C(CN1CCC[C@@H](C(F)(F)F)C1)Nc1ccc(F)cc1F 14139836 NWOFWFVXYZZNBY-SECBINFHSA-N 322.277 3.178 0 40 DGAB COc1ccccc1C(=O)N1CCc2cc3ccccc3nc21 15841753 CRHGDHNSIYUZKV-UHFFFAOYSA-N 304.349 3.446 0 40 DGAB Cc1cccc2cc(/C=C3\SC(=S)N=C3O)c(=O)[nH]c12 17145515 IEKLBZDVOZCAPI-POHAHGRESA-N 302.380 3.166 0 40 DGAB CCOCCOc1cccc(CNCc2ccc(OC)cc2)c1 19737654 KJWAAUGADKUQEF-UHFFFAOYSA-N 315.413 3.400 0 40 DGAB O=C(NCCc1csc(-c2ccncc2)n1)c1cccs1 19942493 QBLXABPNHRPPFH-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB COc1cc(NC(=O)c2cccnc2)ccc1-c1ccc(CO)o1 20143483 FFXPOIRRGSREBC-UHFFFAOYSA-N 324.336 3.095 0 40 DGAB FC(F)(F)c1ccc(NCc2ccc(-n3ccnc3)nc2)nc1 22136103 HXXZIEXUJIEBDJ-UHFFFAOYSA-N 319.290 3.293 0 40 DGAB Cc1cc2ncn(CC(=O)NCCc3cccs3)c2cc1C 22140762 HGJWQZFJPXAYHH-UHFFFAOYSA-N 313.426 3.074 0 40 DGAB Cc1ccc(O)c(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)c1 23563590 BITNAZXLZAELBN-AWEZNQCLSA-N 321.380 3.377 0 40 DGAB COC(=O)[C@@H](CC(C)C)NC(=O)c1oc2ccc(F)cc2c1C 24726694 GKFRXSVQCXVCJQ-CYBMUJFWSA-N 321.348 3.198 0 40 DGAB Cc1cc(CN(C)C(=O)c2cc3ccc(F)cc3nc2C)no1 25137923 WGUZNZCLCGMGIG-UHFFFAOYSA-N 313.332 3.251 0 40 DGAB CCc1nnc(NC(=O)[C@@H](CC)Oc2ccc(F)cc2)s1 27664502 KBULVDHSHWCTGY-LLVKDONJSA-N 309.366 3.036 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H]2c2nnc3ccccn23)cc1F 29077130 ZGLDMEQZXKUDCB-HNNXBMFYSA-N 324.359 3.154 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1cc(Cl)c[nH]1 29771235 CIGMGAFRJUXFAA-UHFFFAOYSA-N 307.762 3.315 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 31561713 VMQWYRJJZVHZBC-UHFFFAOYSA-N 307.353 3.267 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(Cn2nc(C)c(Cl)c2C)o1 32610794 RQXOVMWKVOUCSL-SECBINFHSA-N 309.797 3.323 0 40 DGAB C[C@H](NC(=O)C[C@@H](C)NC(=O)c1ccccc1)c1ccccc1 32736089 QDJNVMWZYOMQEL-CABCVRRESA-N 310.397 3.072 0 40 DGAB COc1ccc(CC(=O)N2CCc3sccc3[C@H]2C)cc1 32781394 JYSTWSQMGWDASE-GFCCVEGCSA-N 301.411 3.445 0 40 DGAB COc1cccc(CNC(=O)NCCSc2ccccc2)c1 32862458 FTLWXRYSDVLQIU-UHFFFAOYSA-N 316.426 3.287 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3cccc(Cl)c3)C2=O)c1 36635370 BOCNQOPLLIJYAU-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2ccccc2C1 39983764 TYBFCBPKNAVNQS-LBPRGKRZSA-N 315.804 3.120 0 40 DGAB Cc1ccccc1C(=O)NCc1ccn(-c2ccccc2F)n1 40150156 GWDGBWLDSSBGEI-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB Cc1c(C(=O)N2CCc3sccc3C2)oc2c1C(=O)CCC2 40548458 IPCDFLJJFJUZPM-UHFFFAOYSA-N 315.394 3.367 0 40 DGAB O=C(Nc1ccc(-c2nnco2)cc1)c1ccc(F)cc1F 44575021 WLUZNOXTBMUAJX-UHFFFAOYSA-N 301.252 3.267 0 40 DGAB Cc1cccc(CNC(=O)NCCCCN2CCC[C@H](C)C2)c1 45701221 XIXUQQDARTVRCP-KRWDZBQOSA-N 317.477 3.306 0 40 DGAB O=C(NCCc1ccc(F)cc1)Nc1ccccc1-n1cccn1 48152345 FNPVRICCDHUSDA-UHFFFAOYSA-N 324.359 3.376 0 40 DGAB Cc1noc(CN2CCC[C@H]2c2cccc(Br)c2)n1 48581469 PJJDTHCZOXKKOO-ZDUSSCGKSA-N 322.206 3.478 0 40 DGAB CO[C@H](C)C(=O)N1CCCC[C@@H]1c1nc2ccccc2s1 55051422 KKKHQSIEKQSLCD-DGCLKSJQSA-N 304.415 3.385 0 40 DGAB COc1ccccc1CN(C)C(=O)CSc1ccc(O)cc1 58249493 KZSSLCDNDNBUBG-UHFFFAOYSA-N 317.410 3.152 0 40 DGAB COc1ccc(OC)c(-c2csc(Nc3cnn(C)c3)n2)c1 58310539 AJPRFANZOWTTOL-UHFFFAOYSA-N 316.386 3.304 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCC(=O)N(C)C(C)C 67784190 LPFATIGJRDBRRO-UHFFFAOYSA-N 318.200 3.442 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CNc2ccc(F)cc2N)CC1 67800707 KZXYYUPVWYKYRP-UHFFFAOYSA-N 323.412 3.467 0 40 DGAB Cc1[nH]ncc1C(=O)N[C@H]1C[C@H]1c1ccccc1C(F)(F)F 69485687 OBYVMKNUSVVALZ-GWCFXTLKSA-N 309.291 3.023 0 40 DGAB COC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 71828334 LYAWGIUIOHHKSL-UHFFFAOYSA-N 320.389 3.200 0 40 DGAB C[C@H](NC(=O)N1CCC[C@H](O)C1)c1csc2ccccc12 72268282 PPLXEVKGQCCOJF-RYUDHWBXSA-N 304.415 3.129 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)SC[C@@H](C)CO 72298268 JYWGSUPJIIHCOZ-GXSJLCMTSA-N 301.839 3.337 0 40 DGAB O=C(Nc1ccc(Oc2cccc3[nH]ccc23)nc1)[C@@H]1CCCO1 72401606 HGSHAEDQDLQHQB-INIZCTEOSA-N 323.352 3.473 0 40 DGAB CN(C(=O)NC[C@@H](c1ccco1)N1CCCCC1)C1CCC1 73442655 ZAGVUDBSUBUEGK-HNNXBMFYSA-N 305.422 3.001 0 40 DGAB Cc1nccn1CCCCNC(=O)N1CCC(C(C)C)CC1 74534039 ZNXPEZVQOKWZQR-UHFFFAOYSA-N 306.454 3.049 0 40 DGAB CCn1ccnc1SCC(=O)c1cccc(OC(F)F)c1 76018360 BCHVRJWLTRBJKV-UHFFFAOYSA-N 312.341 3.479 0 40 DGAB O=C1N[C@H](c2ccc(Oc3cnccn3)cc2)Nc2ccccc21 76082662 CAGDZSPURWFSKP-QGZVFWFLSA-N 318.336 3.123 0 40 DGAB O=C(NCCCC(=O)N1CCCCC[C@@H]1c1ccco1)C1CC1 76651977 AJWNIIQWZJXKQN-OAHLLOKOSA-N 318.417 3.030 0 40 DGAB CC[C@H]1CCC[C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C1 77611237 PUUCVSSTBYEZIP-NWDGAFQWSA-N 314.380 3.388 0 40 DGAB COc1cc(OC)cc([C@@H]2CCN(C(=O)c3cccs3)C2)c1 81639224 BQINPWYYSBWWIN-GFCCVEGCSA-N 317.410 3.395 0 40 DGAB CC[C@H](CNC(=O)c1cccnc1S)Oc1cccc(F)c1 84619465 UJDRVCBIHOGKCL-GFCCVEGCSA-N 320.389 3.097 0 40 DGAB CC(C)c1ocnc1C(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1 84705578 NYGMNCKHHHDTPW-HIFRSBDPSA-N 314.385 3.400 0 40 DGAB CCC[C@H]1CCCN(C(=O)NCc2c(C)cc(C)[nH]c2=O)CC1 84740718 PSMAVTBRELJEKL-HNNXBMFYSA-N 319.449 3.104 0 40 DGAB Cn1nc(-c2ccc(Cl)cc2)c(Br)c1C(=O)O 85345076 IIZGBHZJSUYTIY-UHFFFAOYSA-N 315.554 3.201 0 40 DGAB CC(=O)N1CC[C@@H](NCc2cc3cc(C)ccc3o2)[C@H](C)C1 89657575 LKLWLNLTMKPMEO-CXAGYDPISA-N 300.402 3.088 0 40 DGAB O=C(Nc1cc(F)ccc1OC(F)F)N1CCSCC1 89769661 NAKLSBQOHKJMLO-UHFFFAOYSA-N 306.309 3.008 0 40 DGAB O[C@@H](CN(Cc1ccccc1)Cc1ccncc1)c1ccco1 89832639 DWYRHEKFLSTLGK-SFHVURJKSA-N 308.381 3.410 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)Nc1ccccc1S(C)(=O)=O 89895035 UITSKOJSXIANDX-CJNGLKHVSA-N 319.426 3.014 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCC(Oc2ccccn2)CC1 90607483 ZFPRPUWVKKKDCW-UHFFFAOYSA-N 318.323 3.043 0 40 DGAB C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)F)CCN1Cc1ccccc1 92354879 ULTWBMROEDROAQ-GDBMZVCRSA-N 306.425 3.246 0 40 DGAB C[C@@H](CCN1CCCC1=O)OC(=O)c1cccc(F)c1Cl 95404977 XTBQWJKCLAHQSU-JTQLQIEISA-N 313.756 3.037 0 40 DGAB CC(C)(C)OC(=O)Nc1nnc(Cl)cc1Br 95725465 OSDWBQHBOHWBLD-UHFFFAOYSA-N 308.563 3.240 0 40 DGAB CC(C)CN1CC[C@]2(COCc3cnc(-c4ccccc4)nc32)C1 96244354 MQIKXAUVRNIUHZ-HXUWFJFHSA-N 323.440 3.273 0 40 DGAB Cc1ccc(-c2nc(CNC(=O)CC[C@H]3CCCO3)co2)cc1 96443916 QIGIZTBKYDHULM-MRXNPFEDSA-N 314.385 3.225 0 40 DGAB C[C@@H]1CN(C(=O)NCc2ccsc2)C[C@H](c2ccsc2)O1 96469830 DKXVLFVEUZSRMT-BXUZGUMPSA-N 322.455 3.481 0 40 DGAB COc1ccccc1C(=O)Nc1ncc(C)cc1Br 96484109 AGEXXYDAKMDVCT-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB C[C@H]1COCCN1C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96500301 JRWHJEZOKRDLPH-QMMMGPOBSA-N 320.723 3.194 0 40 DGAB C[C@H](Nc1cccc(C(=O)N2CCCC2)c1)C1CCOCC1 97231997 BZSFZZBNSPLHKD-AWEZNQCLSA-N 302.418 3.150 0 40 DGAB CCc1c(C)sc(NC(=O)[C@H]2C[C@@H]3CC[C@@H]2C3)c1C(N)=O 102196910 DCHRNKYJQVKAOZ-FOGDFJRCSA-N 306.431 3.093 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 104820970 NWEXDOSJXROGCP-BLBBIFAFSA-N 314.429 3.128 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCN(C)[C@@H]2c2ccccc2)c(C)n1 189720686 DQROBIMQYHWRHP-ZWKOTPCHSA-N 324.428 3.265 0 40 DGAB COc1ccc(C)cc1C[C@@H](OCc1ccccc1)C(=O)O 225119510 XYDKJFOEHMRLQJ-QGZVFWFLSA-N 300.354 3.216 0 40 DGAB O=C(NC[C@@H]1CCCO1)N(Cc1ccsc1)CC(F)(F)F 225554599 PMHXYWDEZVGCSG-NSHDSACASA-N 322.352 3.001 0 40 DGAB O=C(c1ccsc1)N1CC[C@H](c2ccc3c(c2)OCO3)C1 225675730 VHWMPLPXCYARRM-LBPRGKRZSA-N 301.367 3.107 0 40 DGAB Cc1nc(-c2ccc(F)cc2)ncc1C(=O)NCCC(C)C 225796018 NSIWJMTZHRYQFV-UHFFFAOYSA-N 301.365 3.367 0 40 DGAB O=C(c1ccccn1)N1C[C@H]2CCC[C@H](Cc3ccccn3)[C@H]2C1 257202083 AKIZJKLIWFKZHO-JFIYKMOQSA-N 321.424 3.208 0 40 DGAB COC[C@H](C)CC(=O)Nc1cncc(-c2c[nH]c3nccc-3c2)c1 585128789 NPHAZPBLMZLOPJ-GFCCVEGCSA-N 324.384 3.188 0 40 DGAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cccc(Br)c1 585319527 DODFEDCPZHRQLA-PBWFPOADSA-N 324.218 3.231 0 40 DGAB O=C1c2ccccc2C(=O)N1c1ccc(Cc2ccncc2)cc1 55186 VNFCZECSEJYNHJ-UHFFFAOYSA-N 314.344 3.473 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)cc1 44327 XZMWHRISPDRURG-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB C[C@H](OC(=O)/C=C/c1ccccn1)C(=O)c1ccc2c(c1)CCC2 47573814 FFYLJCPEVFEQEB-VNDWYCCKSA-N 321.376 3.398 0 40 DGAB CC[C@H]1CN(c2nc(C(F)(F)F)nc3ccccc23)CCO1 23888188 QTAWHIVCRRJLGK-JTQLQIEISA-N 311.307 3.264 0 40 DGAB CCc1cc(=O)[nH]c(SCCOc2ccc(Cl)cc2)n1 4945283 IUCWTGPJWOVZJJ-UHFFFAOYSA-N 310.806 3.157 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 25105203 KGLLWYOOSJOIBA-KFWWJZLASA-N 304.434 3.248 0 40 DGAB O=C(Nc1cccc(Cn2ccnc2)c1)c1cc(F)cc(F)c1 25170901 XNIIFWVFKYDGEH-UHFFFAOYSA-N 313.307 3.462 0 40 DGAB c1ccc2c(c1)OCC[C@@H]2NCc1ccc(-n2ccnc2)cc1 25357550 QLENFUGIZUSWJZ-SFHVURJKSA-N 305.381 3.486 0 40 DGAB CCc1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)sc1C 43589713 KMSADMDHWOBUKB-GFCCVEGCSA-N 309.431 3.336 0 40 DGAB Cc1nc2ccccc2nc1Cn1cccc(C(F)(F)F)c1=O 43795005 NINQCIUTXQILOI-UHFFFAOYSA-N 319.286 3.167 0 40 DGAB Cc1cc(C)n(CCOC(=O)/C=C/c2cccc(Cl)c2)n1 59259958 RGKXMVZCDHGXBT-VOTSOKGWSA-N 304.777 3.410 0 40 DGAB CCN(C(=O)COC(=O)CCc1ccccc1)c1ccccc1 3276145 FUQTZPBGOIUYMZ-UHFFFAOYSA-N 311.381 3.216 0 40 DGAB C[C@H]1[C@@H](c2ccccc2)C[C@H]1NC1CCN(CC(F)F)CC1 108496664 RRJMXEJJFZUSSD-RRQGHBQHSA-N 308.416 3.498 0 40 DGAB C[C@H](Oc1ccccc1F)C(=O)N1CCOC12CCCCC2 35671180 YCYPFLOGIKWXGM-ZDUSSCGKSA-N 307.365 3.112 0 40 DGAB Cc1nc(NC(=O)C2CCCCC2)sc1-c1nccn1C 12629311 OAHADZNNXZYBNM-UHFFFAOYSA-N 304.419 3.371 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1F 44890294 QNLOVZWNQFNRND-GUYCJALGSA-N 313.376 3.121 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC[C@@H](O)c1ccccc1C(F)(F)F 58282439 JNTPUFYIZRTCGS-BXUZGUMPSA-N 313.319 3.211 0 40 DGAB COc1ccccc1[C@@H](C)N(C)CCC(=O)Nc1cc(C)on1 44914499 LKXIYWZZMJWQRS-CYBMUJFWSA-N 317.389 3.013 0 40 DGAB C[C@@H]1CCN(Cc2ccc(-n3cccn3)cc2)C[C@@H]1n1ccnc1 95981722 ZYTJSWGYRHMFTF-APWZRJJASA-N 321.428 3.152 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)OC/C=C/c2ccccc2)c1 12781524 HNDAJZJEFMXHER-UXBLZVDNSA-N 323.392 3.372 0 40 DGAB CC(C)CN1Cc2cccc(NC(=O)c3ccncc3F)c2C1 95979256 WZQPDQRFPFKCSP-UHFFFAOYSA-N 313.376 3.445 0 40 DGAB C[C@@]12C(=O)[C@@]34CCC[C@H]3[C@H]1[C@H]1[C@@H]3[C@@H]2[C@@]25CCC[C@@H]2[C@@H]3[C@@](C)(C5=O)[C@@H]14 101139778 GCPRYOQVJZFWGP-QUBXPWMZSA-N 322.448 3.489 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2ccc(CNC(=O)C3CC3)cc2)C1 48300588 AGMVVBKFPUEOMZ-GJZGRUSLSA-N 300.446 3.191 0 40 DGAB O=C(NCCCc1ccccc1)c1ccc(C(F)(F)F)nc1O 48331433 UVAFCLJYRHUQGY-UHFFFAOYSA-N 324.302 3.169 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1c(OC)cccc1OC 20025470 HWUTZJSLUOJHSX-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB O=C1CC[C@H](C(=O)NCCC(c2ccccc2)c2ccccc2)O1 68605971 LCGNILBXEPJYIY-GOSISDBHSA-N 323.392 3.030 0 40 DGAB O=C1Nc2ccccc2[C@@]12CCN[C@H]2c1cccc2cccnc12 62001493 OKWNDTMHYVBTOU-AZUAARDMSA-N 315.376 3.159 0 40 DGAB biogenic CC(C)n1ncc2cc(C(=O)NCc3ccccc3F)cnc21 12921341 WFXOOCSBCVWARA-UHFFFAOYSA-N 312.348 3.081 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccsc2)c(F)c1 12929973 RXGDCIUWIHLJIO-UHFFFAOYSA-N 320.389 3.344 0 40 DGAB CC[C@H](C(=O)Nc1ncc(C(=O)OC)s1)c1ccccc1 13012665 NOEIQGDWYJDNDL-NSHDSACASA-N 304.371 3.062 0 40 DGAB CCCCOCC(=O)Nc1ccc(OCc2ccncc2)cc1 95398485 ONLCJAQSCGRFCA-UHFFFAOYSA-N 314.385 3.416 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccccc1Cl)c1cccs1 13388728 GXNULCSMEKCFGM-LLVKDONJSA-N 309.774 3.347 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@]2(C)CCCO)ccc1N(C)C 96004109 SWZKXKZRNWFEEX-GOSISDBHSA-N 319.449 3.220 0 40 DGAB COc1cccc(C(=O)OCc2cc3cc(C)ccc3[nH]c2=O)c1 5219287 HBLSCESJSSCNAZ-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2F)cc1 6316253 SKOISKIVQPTKBO-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CC[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)c1ccccc1 14168715 AJGNGFKXYQXYDI-CVEARBPZSA-N 311.381 3.136 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2ccccc2)cc1Cl 4599459 QIPXZQQVSJZZSR-LBPRGKRZSA-N 316.788 3.464 0 40 DGAB c1ccc(N[C@H]2CCN(c3ccnc(N4CCCCC4)n3)C2)cc1 95467710 AIICMHPJLPRLGN-KRWDZBQOSA-N 323.444 3.158 0 40 DGAB C[C@]1(C(=O)Nc2ccc(F)cc2F)Cc2ccccc2C(=O)O1 9314561 KDGXLVKEFOEUJH-QGZVFWFLSA-N 317.291 3.075 0 40 DGAB CN(C)[C@@H](CNCc1nc2ccccc2n1C)c1ccsc1 66970792 SYYDLYFYNYVPBG-INIZCTEOSA-N 314.458 3.027 0 40 DGAB CCOc1ccc(NC(=O)[C@@H]2Cc3ccccc3O2)cc1OC 7435757 PLMGVTSPQXNDKU-KRWDZBQOSA-N 313.353 3.036 0 40 DGAB Cc1ccc(CN(C)C)cc1NCc1ccc([S@](C)=O)cc1 95429317 QQGMRXPAVWNXOB-JOCHJYFZSA-N 316.470 3.406 0 40 DGAB COc1ccc(C(=O)OCc2nc3ccccc3o2)cc1F 7599740 XIODOOFDNMZWSJ-UHFFFAOYSA-N 301.273 3.333 0 40 DGAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)cc1O 7616087 YGBZTMKSARKUDZ-INIZCTEOSA-N 310.353 3.098 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1cc(C)sc1C 7762708 AESQZPIHNVBSJG-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB C[C@H]1CCCN(C(=O)NCc2cnn(-c3ccccc3)c2)CC1 68883978 NOFADZCXEAHAHJ-HNNXBMFYSA-N 312.417 3.204 0 40 DGAB COC(C)(C)C[C@@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 81458238 SOKNSHWDXBCUNG-SECBINFHSA-N 308.403 3.424 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1c1ncnc2sccc12 71859627 BNIQHNAWAXYESP-ZDUSSCGKSA-N 313.430 3.383 0 40 DGAB CC[C@@H](NC(=O)c1n[nH]c2ccccc12)c1nc(C)cs1 71856460 PYCUFGABCAAIDN-LLVKDONJSA-N 300.387 3.209 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)NCc1ccc(-c2ccn[nH]2)cc1 69390710 LNVNRAPCAQRCMQ-NSHDSACASA-N 324.384 3.101 0 40 DGAB Cc1ccc(C(=O)N2CCC(c3nc(C)cs3)CC2)c(O)c1 71855416 FUEKEMPPQYAHOZ-UHFFFAOYSA-N 316.426 3.485 0 40 DGAB Nc1snc2c(Br)cc(Br)cc12 8382586 BKBGECFJQWIQBW-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB c1ccc(-c2cnc(CN3CCc4c(ncn4C4CC4)C3)o2)cc1 69438015 XIYFNNKVPQKUMZ-UHFFFAOYSA-N 320.396 3.431 0 40 DGAB CC(C)c1cc(C(=O)Nc2nnc(-c3ccsc3)s2)n[nH]1 69536772 IJXDWVHRADMLKE-UHFFFAOYSA-N 319.415 3.365 0 40 DGAB O=C(Nc1ncccc1OCc1ccncc1)c1ccc(F)cc1 69570125 WTNJCWMNRASAOS-UHFFFAOYSA-N 323.327 3.447 0 40 DGAB Cc1csc([C@@H](C)NC(=O)Nc2nnc(C(F)F)s2)n1 69657378 OQWCZHHFPXQQGT-RXMQYKEDSA-N 319.362 3.123 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)Cc1noc2ccccc12 69773235 OZCFZXDDAJOTLO-LSDHHAIUSA-N 322.364 3.051 0 40 DGAB Cc1cnn(CCNCc2csc(-c3ccsc3)n2)c1 69897007 SXJQIQANDNXWHV-UHFFFAOYSA-N 304.444 3.166 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)c2cc3ccccc3o2)C1 69848752 KJZIROWBZBNRSQ-OAHLLOKOSA-N 309.369 3.415 0 40 DGAB CC[C@@H](C)[C@@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 8762484 DGFYSPFQNRFWPU-QMTHXVAHSA-N 309.431 3.246 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1C 22515415 PGNNAUSHYNVMSJ-ZDUSSCGKSA-N 313.353 3.438 0 40 DGAB CSc1ccccc1NC(=O)CN(C)CC1(C)CCOCC1 97113422 GYBNHSCVVQZVJW-UHFFFAOYSA-N 322.474 3.096 0 40 DGAB CC(C)[C@@H]1CCCCCN1C(=O)c1cnc2c(c1)ncn2C 97235373 UZTCBVMPMSVONE-HNNXBMFYSA-N 300.406 3.009 0 40 DGAB COCCn1cc(NCc2csc(-c3ccsc3)n2)cn1 89420287 MPPFSRNSKDOWCS-UHFFFAOYSA-N 320.443 3.327 0 40 DGAB O[C@H](C[C@@H]1CCCN1Cc1ccncc1Cl)c1ccco1 89794407 CLXYPTVPUZKBPA-DZGCQCFKSA-N 306.793 3.416 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)Nc1cc(F)ccc1OC(F)F 89875344 HOLNKMFLKWJWSG-UHFFFAOYSA-N 314.267 3.411 0 40 DGAB O=C(N[C@H]1C[C@H]1C1CCCCC1)c1ccccc1Cn1cncn1 89814054 VKCPQXFHRDZJQD-ROUUACIJSA-N 324.428 3.025 0 40 DGAB COc1ccc(-c2cn3c4c(n(C(C)C)c3n2)CCNC4)cc1 306125832 DDEPQKGPHXISGM-UHFFFAOYSA-N 310.401 3.038 0 40 DGAB BrC1(Br)[C@H]2[C@@H]3C=CC4C=C[C@H](C43)[C@H]21 71785635 QWWBXFAHVQNSFL-WZLYMPOQSA-N 302.009 3.337 0 40 DGAB Cc1ccc(Oc2ccc(C(=O)NCCCN(C)C)o2)cc1 72260092 BJFLDXMRLWCVQR-UHFFFAOYSA-N 302.374 3.062 0 40 DGAB Cc1nc(C(C)(C)NCC(=O)Nc2ccccc2)sc1C 72866630 ODAZBZVRXGNNAL-UHFFFAOYSA-N 303.431 3.223 0 40 DGAB CSc1ccccc1S(=O)(=O)N(C)[C@H](C)c1ccccn1 187085638 JEKFBVFQZYLDBL-GFCCVEGCSA-N 322.455 3.185 0 40 DGAB O=C(NCC[C@H](O)c1cccs1)c1ccc(Cl)s1 77113495 OLUJFWOALYINNR-QMMMGPOBSA-N 301.820 3.317 0 40 DGAB O=C(C1CC1)N1CC[C@H](c2nnc(-c3ccc(Cl)cc3)o2)C1 49171093 SKGKKLYGAUAPDO-LBPRGKRZSA-N 317.776 3.116 0 40 DGAB biogenic,in-vitro Cc1ccccc1O[C@H](C)C(=O)NCCc1ccc(F)cc1 224414116 CTTLQBFNUIYTHG-CQSZACIVSA-N 301.361 3.260 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2ccnc(N3CCCCC3)n2)c1 224207726 IIEZTYABHDGLRW-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB O[C@H](COc1ccccc1)Cn1cc(-c2ccccc2F)cn1 575431397 HNQFVPAQXWMXAZ-HNNXBMFYSA-N 312.344 3.129 0 40 DGAB Cc1cc([C@H](C)NC(=O)CCOC2CCOCC2)c(C)s1 84524737 NMHDTUZNFNDLPU-LBPRGKRZSA-N 311.447 3.128 0 40 DGAB COC(=O)CC1(CNC(=O)c2ccoc2Cl)CCCCC1 192399755 YIYUSRXAOKPPPO-UHFFFAOYSA-N 313.781 3.176 0 40 DGAB CC(C)OCCCNC(=O)[C@@H](C)Oc1ccc2c(c1)CCCC2 223256863 ZJVYBESXHBSGKN-OAHLLOKOSA-N 319.445 3.264 0 40 DGAB CCSc1ccc(Cl)cc1NC(=O)N1CCC[C@@H]1CO 96411505 FOHYBUMOVSMXSQ-LLVKDONJSA-N 314.838 3.441 0 40 DGAB Cc1cc(C(=O)N2CC[C@]3(CCCN(CC(C)C)C3)C2)c(C)o1 96215284 BGUCKWGITLXTNO-IBGZPJMESA-N 318.461 3.481 0 40 DGAB Cc1cc(C)c2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2c1 23643738 GPKXOXKYDFBUGR-ZIAGYGMSSA-N 301.386 3.019 0 40 DGAB biogenic CC1=C(C(=O)OC(C)(C)C)C(C)C(C(=O)OC(C)(C)C)=C(C)N1 24718314 VLKLZZGHWBZISX-UHFFFAOYSA-N 323.433 3.457 0 40 DGAB biogenic C[C@@H](NCc1nnc(C2CC2)n1C)c1nc(C(C)(C)C)cs1 97374460 HLIKLURZGVQIES-SNVBAGLBSA-N 319.478 3.297 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@@H]2C(C)(C)O)c2ncccc2c1 96496568 KABUECVIFNQVAX-OAHLLOKOSA-N 313.401 3.310 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccc(F)cc3)=NO2)C1 252517063 ZFDJCLMJJJVDBJ-VFVRVIDISA-N 318.392 3.213 0 40 DGAB COc1cc(C(=O)O)cc2c1O[C@@](C)(Cc1ccc(F)cc1)C2 257207921 BJXVDICWTQJWRN-SFHVURJKSA-N 316.328 3.469 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCC[C@@H]1C[C@H]2CC[C@H]1C2 252505294 JQWADFJXACVBHO-XNIJUTNWSA-N 309.494 3.453 0 40 DGAB C=CC(=O)N1CCC[C@H](c2ccnc(Nc3cccc(C)n3)c2)C1 585291525 RGBYOVYRPBUPEO-INIZCTEOSA-N 322.412 3.421 0 40 DGAB CC(C)CCN1CC[C@H]2[C@@H]1CC(=O)N2[C@@H](C)c1ccccc1 585108874 ALWQVEZPEHXMIG-SZMVWBNQSA-N 300.446 3.469 0 40 DGAB O=C(c1nc2ccccc2s1)N1CCC(c2ncco2)CC1 585392812 QKWRABURQIHZRO-UHFFFAOYSA-N 313.382 3.304 0 40 DGAB COc1ccccc1CN1CC[C@@H](COc2ccc(F)cn2)C1 1889130559 KTRXZUKQWJDUSE-CQSZACIVSA-N 316.376 3.130 0 40 DGAB COc1ccc2nccc(N3CC(COc4cccnc4)C3)c2c1 2298225827 KUUAOJOQVBSUBC-UHFFFAOYSA-N 321.380 3.154 0 40 DGAB Oc1cccc(CNC[C@@H]2CCN(CCc3ccccc3)C2)c1 96403996 UCKJKCLYGRTODY-IBGZPJMESA-N 310.441 3.046 0 40 DGAB CC(C)(C)c1n[nH]cc1[C@H]1Nc2ccccc2C(=O)N1C1CC1 40156419 BPCRKUZTMRFFHX-INIZCTEOSA-N 310.401 3.436 0 40 DGAB Cc1ccc(C(=O)C2CCN(C(=O)c3ccncc3)CC2)c(C)c1 40510904 JCEMDYPSEJRZFW-UHFFFAOYSA-N 322.408 3.434 0 40 DGAB c1ccc(-c2cc(NC3[C@@H]4CCCC[C@@H]34)n3ncnc3n2)cc1 101455047 XOGMFWVEPRULRI-ZIAGYGMSSA-N 305.385 3.392 0 40 DGAB CN(C)c1ccc(NC(=O)c2cncc(Br)c2)cc1 362434 KYZGIODKULRIKT-UHFFFAOYSA-N 320.190 3.162 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102123664 CCQNPBQYYKQQBK-VGWMRTNUSA-N 313.397 3.273 0 40 DGAB O=C(Nc1nccs1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 52460342 VCMQJULLDRUTBK-GFCCVEGCSA-N 323.805 3.402 0 40 DGAB C[C@@H]1C[C@@H](C)CN(c2ncnc3c2cnn3-c2ccccc2)C1 544672 DBVCYPVFCZUJDE-ZIAGYGMSSA-N 307.401 3.298 0 40 DGAB CCCc1cc(C(=O)Cc2nc3ccccc3n2C)c(O)cc1O 1508895 PPDPFXZHTUCYEV-UHFFFAOYSA-N 324.380 3.362 0 40 DGAB CCOc1cc2c(cc1Cc1ccc3c(c1)OCO3)OCO2 1582279 NIHAEKBRSKEYEJ-UHFFFAOYSA-N 300.310 3.134 0 40 DGAB O=S(=O)(NCC1CCCCC1)c1ccc(Cl)cc1F 3335540 UXCINPPXLBQZKX-UHFFFAOYSA-N 305.802 3.338 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1 3424625 JTTWSMCJZKIWTD-XJKSGUPXSA-N 303.402 3.155 0 40 DGAB Cc1c(C(=O)OCC(=O)NCc2ccccc2)oc2ccccc12 3537301 QQNZDTXOPODDIG-UHFFFAOYSA-N 323.348 3.214 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](C(=O)O)[C@@H]2c2cccs2)cc1 3888164 PRTGINCKDPPNSZ-SWLSCSKDSA-N 301.367 3.235 0 40 DGAB Cn1ncc2c(N3CCCCC3)nc(Nc3ccccc3)nc21 4272778 NOVVMKBTXAQRER-UHFFFAOYSA-N 308.389 3.097 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1C 4667104 OAYJQXZCKCQEOY-BXUZGUMPSA-N 311.447 3.169 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)n1 6206280 FRTBHAYMNTYOQW-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB COc1ccc(OC)c(-c2csc(NC(=O)C(C)C)n2)c1 6306608 QSCALPVUDBPMLD-UHFFFAOYSA-N 306.387 3.422 0 40 DGAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1cccc(Cl)c1 6672654 ZPPQRSZGXPFJJF-CYBMUJFWSA-N 316.744 3.068 0 40 DGAB CCn1c(=S)sc2c(=O)n(Cc3ccccc3)c(C)nc21 6756481 BHYCDGVKZJVUHT-UHFFFAOYSA-N 317.439 3.366 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccco1 6771134 YSOHAEAUEBGYMM-UHFFFAOYSA-N 313.332 3.151 0 40 DGAB COc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(OC)c1 7057290 OYIJQOMDVGXMGE-UHFFFAOYSA-N 321.398 3.121 0 40 DGAB Cn1cccc1[C@H]1CCCN1Cc1nc(-c2ccccc2)no1 7855330 NYPAJFHDKYHKOR-MRXNPFEDSA-N 308.385 3.412 0 40 DGAB COc1ccccc1CCC(=O)NCCc1c[nH]c2ccccc12 8429025 AYDQKWPOYRYBHX-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB O=C(O[C@H]1CCOC1=O)c1ccc(Oc2ccc(F)cc2)cc1 8522401 ZOAIBPWCQRWSJB-HNNXBMFYSA-N 316.284 3.090 0 40 DGAB CCCCCOC(=O)Cc1c(C)nc(-c2ccccc2)[nH]c1=O 8772721 GYUNXTJJRPXIGI-UHFFFAOYSA-N 314.385 3.021 0 40 DGAB COc1ccc(NC(=O)CNc2ccccc2OC)cc1Cl 9607701 ORZWFXVEVKXTBW-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB CC(C)c1nn2c3c(nnc2c1-c1ccccc1)C(=O)CCC3 10156945 UIYHZNXFLXIFSI-UHFFFAOYSA-N 306.369 3.434 0 40 DGAB CN(C)c1cccc(C(=O)NCCCOC2CCCCC2)c1 10738414 OAINRIUNTJKLDK-UHFFFAOYSA-N 304.434 3.222 0 40 DGAB CCCc1ncc(CN(C)Cc2cc(O)nc3ccccc23)cn1 12188466 YEDKQXWESNYELP-UHFFFAOYSA-N 322.412 3.315 0 40 DGAB CCCCCC(=O)N[C@H](c1ccc(OC)cc1)c1nccn1C 12541451 LJWIRUHYJAPIEO-QGZVFWFLSA-N 315.417 3.215 0 40 DGAB O=C(COc1ccccc1)N1CCC[C@H]1c1nc2ccccc2[nH]1 12577637 ZRGYPEANWZNYGK-KRWDZBQOSA-N 321.380 3.305 0 40 DGAB CCc1nnc(NC(=O)c2cc(F)c(F)cc2Cl)s1 15963509 YGLFWBIANXCYPQ-UHFFFAOYSA-N 303.721 3.284 0 40 DGAB COc1ccc2cc(CNc3ccc4[nH]ncc4c3)c(=O)[nH]c2c1 19563936 GYHSWJXUWIRPRW-UHFFFAOYSA-N 320.352 3.025 0 40 DGAB C[C@@H](NC(=O)CN1C(=O)CCCc2ccccc21)c1ccccc1 21870658 RWNNQESCSSRLLL-OAHLLOKOSA-N 322.408 3.233 0 40 DGAB O=C(c1ccc(-n2ccnc2)cc1)N1CCc2sccc2C1 24050872 OTDOENAGMYPGMD-UHFFFAOYSA-N 309.394 3.132 0 40 DGAB Cc1oc(C)c(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1C 24663732 AJGVJEPIJSNREO-AWEZNQCLSA-N 315.369 3.117 0 40 DGAB O=C(Cc1cccs1)Nc1ccn(Cc2ccc(F)cc2)n1 27915815 KBJVXQUMKWBXSQ-UHFFFAOYSA-N 315.373 3.313 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2C[C@H]2c2ccccc2)s1 27920257 GBIPSPLBDOKUGS-STQMWFEESA-N 314.410 3.152 0 40 DGAB Cc1nc(C2(NC(=O)CCc3ccccc3)CCCCC2)no1 28617195 DYOBKGJZGUTFHN-UHFFFAOYSA-N 313.401 3.286 0 40 DGAB O=C(NCCCn1cccn1)c1ccc2[nH]c3c(c2c1)CCCC3 30171840 HAUIAXXWKLXCRX-UHFFFAOYSA-N 322.412 3.063 0 40 DGAB CC[C@@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCO1 30762700 QBVBHHWJTPCZGP-CQSZACIVSA-N 312.413 3.298 0 40 DGAB CCCc1n[nH]c(SCc2nc(Cc3ccccc3)no2)n1 31655149 BYJSZZSOMNFCSS-UHFFFAOYSA-N 315.402 3.023 0 40 DGAB O=C1C[C@@H](NC2CCCCC2)C(=O)N1c1ccc2ccccc2c1 31720224 VIROFOOHJVPMMH-GOSISDBHSA-N 322.408 3.394 0 40 DGAB O=C(NC1CC1)c1cc(-c2ccccc2)n(-c2ccccc2)n1 32487991 INJWDABWBOWNSS-UHFFFAOYSA-N 303.365 3.432 0 40 DGAB COc1ccc(C)cc1CN(C)[C@@H](C)C(=O)N1CCCCCC1 32806121 VWILBHPPWXWLFB-INIZCTEOSA-N 318.461 3.227 0 40 DGAB COc1cccc(/C=C(/C(=O)N2CCOCC2)c2ccccc2)c1 32907809 IUMZXJHGBKHAEP-XDJHFCHBSA-N 323.392 3.095 0 40 DGAB CCOC(=O)c1c(O)cccc1/C=C/c1ccc2c(c1)OCO2 35973516 UHSRRFXIDYKERM-SOFGYWHQSA-N 312.321 3.468 0 40 DGAB COc1ccc(Br)cc1-c1ncc(C(=O)O)s1 36930160 FCUVWLKDBVRXIK-UHFFFAOYSA-N 314.160 3.279 0 40 DGAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(F)cc3)C2)s1 38666514 MTKAZOLAIPKEJK-GFCCVEGCSA-N 305.378 3.005 0 40 DGAB Cc1c(C(=O)N[C@H]2CCOc3ccccc32)[nH]c2c1C(=O)CCC2 40462370 PRCHDOMIHNYWTA-ZDUSSCGKSA-N 324.380 3.096 0 40 DGAB CCNC(=O)c1cccc(NC(=O)N(C)Cc2ccsc2)c1 40526730 YACAYXRLOFSCCK-UHFFFAOYSA-N 317.414 3.162 0 40 DGAB O=C(NCCc1ccc2c(c1)OCO2)N1CC[C@@H]1c1ccccc1 43889657 OTXLLBVBIDQIGP-MRXNPFEDSA-N 324.380 3.114 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccccc1N1C[C@H](C)O[C@H](C)C1 47806595 PEBSXPOKLRQCJH-MELADBBJSA-N 305.422 3.220 0 40 DGAB Cc1ccc([C@H](C)NCc2ccc(-n3cncn3)c(F)c2)o1 48332693 LGDYWBZNFWCGCG-LBPRGKRZSA-N 300.337 3.159 0 40 DGAB Cc1nc2c(cnn2C(C)C)cc1C(=O)N[C@H](C)c1ccco1 48368595 BLIQQPVINOWAMW-GFCCVEGCSA-N 312.373 3.405 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc3ccccc3n2)n1 48407110 JGVAPCLDDMHBRU-ZDUSSCGKSA-N 322.412 3.114 0 40 DGAB Cc1ccc(C[C@H]2CCCN(c3cn[nH]c(=O)c3Cl)C2)cc1 50953102 JKRYHEWCYQQLGZ-CQSZACIVSA-N 317.820 3.191 0 40 DGAB Cc1ccc(NC(=O)N2CCCC2)c(OC[C@@H]2CCCO2)c1 56515318 TYOUGFVYURPWSL-AWEZNQCLSA-N 304.390 3.181 0 40 DGAB Cc1ccc(C)c(N2CCN(c3ccc(Cl)nn3)CC2)c1 57322403 BKMJHXUMJPAGSY-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB C[C@H]1CN(C(=O)CNc2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 57525245 IWQUSTFJNMOXMP-AOOOYVTPSA-N 317.216 3.041 0 40 DGAB Cc1nnc2ccc(C(=O)Nc3cccc4c3CCCC4)cn12 58151413 IECDRBCBMAQFJN-UHFFFAOYSA-N 306.369 3.169 0 40 DGAB FC(F)(F)c1ccnc(Nc2ccn(-c3ccccc3)n2)n1 58324957 SUOWTLSCADDQDH-UHFFFAOYSA-N 305.263 3.425 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCCN(C2CC2)CC1 58330933 OXQJGNJBVJDGDW-UHFFFAOYSA-N 312.335 3.016 0 40 DGAB CC(C)Cn1ccnc1NC(=O)c1cc(Cl)c(Cl)n1C 65492347 DNUBOAOQYGVQOV-UHFFFAOYSA-N 315.204 3.437 0 40 DGAB Cc1c(C(=O)C(=O)NCc2ccccn2)sc2ccccc12 65513395 VIWNKYVFCVYUJM-UHFFFAOYSA-N 310.378 3.104 0 40 DGAB O=C1C[C@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccccc2)N1 66089649 WAGSRBQYKITVNO-JTQLQIEISA-N 324.258 3.164 0 40 DGAB CCCOc1cccc(NC(=O)N2CC[C@H](N3CCCC3)C2)c1 66159129 VUXSRJQESRUJGC-INIZCTEOSA-N 317.433 3.177 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1ccc(OC)c(OC)c1 69416894 AJKQIGULKCQPGJ-UHFFFAOYSA-N 305.296 3.118 0 40 DGAB CCc1nc(COc2ccc(C(=O)NC(CC)CC)cc2)no1 69967536 YFRAUPWXIARLIO-UHFFFAOYSA-N 317.389 3.129 0 40 DGAB O=Cc1cc(O[C@H]2CCCCO2)cc(O[C@H]2CCCCO2)c1 71255493 AUPXTEMIFWYDDZ-IRXDYDNUSA-N 306.358 3.310 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)COC[C@@H]2CCCO2)c1 71890836 LNOCISKVTUNFLE-WFASDCNBSA-N 309.431 3.245 0 40 DGAB CC(C)Cc1nnc([C@H](C)Sc2nnnn2C2CCCC2)o1 71893939 ZOZCKELMEGZQPU-JTQLQIEISA-N 322.438 3.223 0 40 DGAB CS[C@H](C)C(=O)N(C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 71915330 QZBUGIORULXYAW-BFYDXBDKSA-N 320.502 3.249 0 40 DGAB C[C@H](c1nccs1)N1CCC[C@H](NC(=O)OC(C)(C)C)C1 72203943 HVCIVELHPPBFAB-NEPJUHHUSA-N 311.451 3.193 0 40 DGAB O=C(CCc1ccccc1F)Nc1cc(-c2ccncc2)n[nH]1 72256031 IKFRKLGQBZXJRM-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1cccc(Oc2ccccc2C(N)=O)c1 72309387 IMSGGSDXLQKGES-IAQYHMDHSA-N 310.353 3.172 0 40 DGAB Cc1cc(C[C@@H]2COC[C@H]2NCc2ccc(C(C)C)cc2)on1 72395115 RKDYWCKOXMKRGP-IEBWSBKVSA-N 314.429 3.454 0 40 DGAB CNC(=O)c1ccc(CSc2nnc(C3CC3)s2)cc1 74796585 OIAPLHDRIODIQD-UHFFFAOYSA-N 305.428 3.067 0 40 DGAB CN(C(=O)Cn1cc(-c2ccccc2)sc1=O)c1ccccc1 75146014 GCWIXRCRKFHWNU-UHFFFAOYSA-N 324.405 3.240 0 40 DGAB CCSCCn1cnc2c(Cl)cc(Cl)cc2c1=O 78791804 WSKBXNCLSWLLTG-UHFFFAOYSA-N 303.214 3.456 0 40 DGAB CC(C)[C@H](C(=O)Nc1ccccc1O)N1Cc2ccccc2C1=O 80357957 SAQHIZGPMRFFSK-QGZVFWFLSA-N 324.380 3.011 0 40 DGAB COc1cccc(-c2csc(CNc3cnn(C)c3)n2)c1 82712672 AEYMHCVVQIHDOP-UHFFFAOYSA-N 300.387 3.164 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCC[C@@H](c2ccn[nH]2)C1 84598669 GEMBBVTUTXGPCT-MRXNPFEDSA-N 322.412 3.161 0 40 DGAB COc1cccc([C@H](C)CC(=O)NCCc2ccc(C)nc2)c1 84601292 LNIAOORVPRTKBX-CQSZACIVSA-N 312.413 3.251 0 40 DGAB C[C@@H](c1cccnc1)N1CCN(Cc2cccnc2Cl)CC1 84661133 PLDJABRFIZTTBZ-AWEZNQCLSA-N 316.836 3.009 0 40 DGAB COC[C@H](NC(=O)N[C@H]1c2ccccc2C[C@H]1C)c1ccco1 84718094 SPGWKJZZOBCEPK-ISTRZQFTSA-N 314.385 3.200 0 40 DGAB CCOc1ccc(-c2nc(-c3ccccc3N)n[nH]2)cc1OC 85384525 WOCVKRHMMJLPLO-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB COc1cccc(CC(=O)N[C@H](C)CC(=O)c2ccccc2)c1 89894639 LBMYPWUJXVPIOE-CQSZACIVSA-N 311.381 3.015 0 40 DGAB CC(C)n1ccc2cc(C(=O)Nc3nc(C4CC4)n[nH]3)ccc21 95472482 SIVZLUSZJDMLCJ-UHFFFAOYSA-N 309.373 3.470 0 40 DGAB Cc1cc(S(=O)(=O)n2c(C)nc3ccccc32)ccc1F 95945903 XGTHMMDNOOXMCJ-UHFFFAOYSA-N 304.346 3.029 0 40 DGAB O=c1n(Cc2ccccc2Cl)nc(-c2ccco2)n1C1CC1 96119110 YAJZAAXBKFMFKM-UHFFFAOYSA-N 315.760 3.341 0 40 DGAB CC/C=C(\C)C(=O)Nc1ccc2c(ccn2CC(=O)N(C)C)c1 96256342 YUXNTRNPWAZHOW-AWNIVKPZSA-N 313.401 3.024 0 40 DGAB C[C@@H](CNC(=O)N[C@H](C)c1nccs1)Oc1ccccc1F 96439959 WXOWDFIZQJMHHF-WDEREUQCSA-N 323.393 3.110 0 40 DGAB Cc1csc(NC(=O)N(C[C@H](O)c2ccccc2)C2CC2)n1 96451113 ZZUBBOXCARNEHQ-AWEZNQCLSA-N 317.414 3.181 0 40 DGAB CC(C)c1nccn1Cc1cccc(NCc2cnn(C)c2)c1 97020053 ZFGIVWJRSUFSBY-UHFFFAOYSA-N 309.417 3.400 0 40 DGAB COc1ccc(C2=NN(C(C)=O)[C@@H](c3ccccc3)C2)cc1O 97105826 HMGWRFNBJAEAGM-MRXNPFEDSA-N 310.353 3.098 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1CCc2cc(F)ccc2[C@@H]1C 97372353 HOSLTJLMYDNDLC-MFKMUULPSA-N 315.392 3.415 0 40 DGAB COc1cc(C)c(NC(=S)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102351089 VZWLKLBSQYRGSV-BZPMIXESSA-N 320.458 3.487 0 40 DGAB C[C@H]1CC2=Nc3ncnn3[C@H](c3cc(F)cc(F)c3)C2=C(O)C1 102602499 QILXYPLVZBOSOC-VXJOIVPMSA-N 316.311 3.474 0 40 DGAB C[C@@H](Nc1cnn(C(C)(C)C)c1)C(=O)N(C)Cc1ccccc1 186261985 AOMLNLULDJZGOG-CQSZACIVSA-N 314.433 3.097 0 40 DGAB COC(=O)c1c[nH]c(SCc2nc3ccccc3s2)n1 193546950 TVLVYRNHUDPDNJ-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB Cc1cccc2cc(C(=O)Nc3ccc4c(c3)OCO4)c(=O)oc12 226034977 NHIKDKPYVXKOCZ-UHFFFAOYSA-N 323.304 3.082 0 40 DGAB COC(=O)c1c(NC(C)=O)c2ccc(C(C)(C)C)cc2n1C 408712448 HODATNVHVXSING-UHFFFAOYSA-N 302.374 3.221 0 40 DGAB O=C(COCc1ccccc1)NCc1cncc(-c2ccoc2)c1 575620556 OEPPALAXOHMXFT-UHFFFAOYSA-N 322.364 3.175 0 40 DGAB Cc1sccc1Cc1nc(-c2ccc3c(c2)OCO3)no1 581216574 RIAXFJILLUUWET-UHFFFAOYSA-N 300.339 3.426 0 40 DGAB C=CC(=O)N1CCC[C@H](Cc2ccnc(Nc3ccccn3)c2)C1 585291712 FFWBFVHURRPQRM-MRXNPFEDSA-N 322.412 3.187 0 40 DGAB O=C(c1ccsc1)N1C[C@H]2CN(CC3CCCCC3)C[C@@H]2C1 1201394597 YFLBXYIHNSUHCS-IAGOWNOFSA-N 318.486 3.332 0 40 DGAB Cc1csc(C(=O)N2CCC([C@@H]3CCCCN3C)CC2)c1 2055759239 BFNWSAJLNAKBKU-HNNXBMFYSA-N 306.475 3.393 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 44754 DWVZXBZZLHCNNI-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB Cc1ccc2nc3c(c(C(=O)N4CCO[C@@H](C)C4)c2c1)CCCC3 54215237 DCTNNZYFRUKIGW-AWEZNQCLSA-N 324.424 3.283 0 40 DGAB COc1cc(F)ccc1NC(=O)c1cc(-c2ccco2)[nH]n1 25312926 MTIFSSJQRDCSBV-UHFFFAOYSA-N 301.277 3.070 0 40 DGAB CN[C@@H](Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 1667045 RUNQPMFFKWULFL-HNNXBMFYSA-N 301.386 3.216 0 40 DGAB CCC(CC)Nc1c([N+](=O)[O-])cc(C(=O)O)c(C)c1[N+](=O)[O-] 33902191 OYOCXOGNLMMZMC-UHFFFAOYSA-N 311.294 3.110 0 40 DGAB Cn1c(SCc2ccccc2F)nnc1-c1ccc(N)cc1 4676138 OIOIRPHUPMSREC-UHFFFAOYSA-N 314.389 3.496 0 40 DGAB Sc1nnc(-c2ccccc2)n1Cc1ccc2c(c1)OCO2 6454515 OICGHPINVLKXSW-UHFFFAOYSA-N 311.366 3.011 0 40 DGAB CC(=O)CCCC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 24973961 WLVAHQJTKJMWLD-UHFFFAOYSA-N 303.358 3.426 0 40 DGAB COc1cccc(NC(=O)Nc2ccc(OC)c(OC)c2)c1 8167976 NLDFMJMHHTUYMB-UHFFFAOYSA-N 302.330 3.356 0 40 DGAB CC(=O)Nc1nc(CN2CCC[C@H]2Cc2ccccc2)cs1 55505120 BVWKXEKARDLUDB-INIZCTEOSA-N 315.442 3.309 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccccc2)N(C)C)sc1C 25420074 CQQCRRXNPIQQDR-OAHLLOKOSA-N 302.443 3.398 0 40 DGAB c1cnc2nc(N3C[C@H]4CC[C@H]3C4)c(N3C[C@H]4CC[C@H]3C4)nc2c1 107361863 WUQSQQLTZRPBHL-AJNGGQMLSA-N 321.428 3.002 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)NC1CCCCC1 59843318 RUBZOQVWHWWFNS-UHFFFAOYSA-N 318.808 3.292 0 40 DGAB O=C(OCC(=O)c1ccccc1Br)c1ccco1 3237481 NJEYOINZNSYAFM-UHFFFAOYSA-N 309.115 3.082 0 40 DGAB CCN(C(=O)CSc1nc(C)cc(C)n1)c1ccccc1 59513051 XQGCBGGDVAJCFP-UHFFFAOYSA-N 301.415 3.239 0 40 DGAB C[C@H](NC[C@@H](c1cccs1)N(C)C)c1nc(C(C)(C)C)no1 58177850 ZIHBTYHLFJUPRP-RYUDHWBXSA-N 322.478 3.382 0 40 DGAB O=C(CCc1ncc(-c2ccccc2Cl)o1)Nc1cc[nH]n1 58180998 XVYHMJJOHZETGI-UHFFFAOYSA-N 316.748 3.289 0 40 DGAB COC(=O)c1ccc(C(=O)NCC2(c3ccccc3)CCC2)cc1 10221473 YIKXCNQTMZEHKI-UHFFFAOYSA-N 323.392 3.325 0 40 DGAB Cc1nc(CCNC(=O)N2c3ccccc3C[C@@H]2C)cs1 48234266 IZJXFEKPQBDLLS-NSHDSACASA-N 301.415 3.155 0 40 DGAB CC(C)(C)c1ccc(S(=O)(=O)Cc2nc(C3CC3)no2)cc1 44948402 VXBRGEPVGQHKTB-UHFFFAOYSA-N 320.414 3.218 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC[C@H](O)CN1CCCCCC1)C2 101214095 PIWZUYGSMGBKSL-YWTNHNAXSA-N 309.494 3.455 0 40 DGAB Cc1ccc(OCC(=O)NCc2cc3ccccc3[nH]2)cc1C 58902894 LLZDGXAREBOVDZ-UHFFFAOYSA-N 308.381 3.480 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N(C)[C@@H](C)c1ccccc1 45539991 MQMDAOCMLZILBN-AWEZNQCLSA-N 300.406 3.053 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1Cl)NC1CCCCC1 3393747 BWYJVLZUFCTSQR-ZHACJKMWSA-N 321.804 3.345 0 40 DGAB Cc1cc(NC(=O)c2ccc(Cn3cc(Cl)cn3)cc2)no1 27969695 UWSULHAOZZBNTN-UHFFFAOYSA-N 316.748 3.134 0 40 DGAB Cc1ccc(-n2ncc3c(NCc4ccccn4)ncnc32)cc1 20662062 QMAHTGPJRVVYLW-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)CCc1c(C)noc1C 46402756 HUELFIGCOVHKAH-SNVBAGLBSA-N 320.364 3.249 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(F)c2)cc1C 3443223 RQMDEOSBNZCMNV-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(CCCn1c(=O)oc2ccccc21)NCC1CCCCC1 3612743 SBILONCUQOIEEH-UHFFFAOYSA-N 316.401 3.071 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@H](C)c2ccccc2C)c1 9155063 ITYUAIJOSRVREX-CQSZACIVSA-N 311.381 3.454 0 40 DGAB CCCc1cc(=O)nc(Nc2nc(C)c3cc(C)ccc3n2)[nH]1 5051982 FCCHWWXJUYDGFG-UHFFFAOYSA-N 309.373 3.026 0 40 DGAB O=C(Nc1cccc(Cl)c1Cl)N1CCN2CCC[C@@H]2C1 27932261 VAUQIZLZRUGCKA-SNVBAGLBSA-N 314.216 3.305 0 40 DGAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccc[nH]1 65637257 IXAOTZUEGVCWFQ-DLBZAZTESA-N 309.369 3.196 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccccc3)[nH]n2)c1 9367340 SOTFLNAMCOPVGG-UHFFFAOYSA-N 320.352 3.287 0 40 DGAB O=C(NCc1ccncc1)c1csc(-c2cccs2)n1 9468342 WCRWEWNJRZIOMN-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB c1c[nH]c(CNCc2ccc(CN3CCCCCCC3)cc2)n1 66906070 XSZKJIJBVHILDH-UHFFFAOYSA-N 312.461 3.466 0 40 DGAB O=S(=O)(Nc1cc(CC2CCCCC2)[nH]n1)c1ccccc1 84558675 OWTDYCNYDFDPFH-UHFFFAOYSA-N 319.430 3.333 0 40 DGAB NC(=O)c1cc(Cl)ccc1OCCOc1ccc(F)cc1 7022685 JAMGSQRHEYCUTJ-UHFFFAOYSA-N 309.724 3.036 0 40 DGAB COc1ccc(N[C@H](C)C(=O)Nc2ccc(C)cc2)c(OC)c1 7056798 MJZRMGQDDUWVKU-CYBMUJFWSA-N 314.385 3.451 0 40 DGAB Cc1ccc(Nc2nnc(SC[C@@H]3CCOCO3)s2)cc1 7758503 IQZVQENYOYIRKT-LBPRGKRZSA-N 323.443 3.445 0 40 DGAB COc1ccc(OC)c(NC(=O)N(C)[C@H](C)c2cccnc2)c1 68525000 YTBISRSPUBJWHE-GFCCVEGCSA-N 315.373 3.324 0 40 DGAB C[C@@H](C1CC1)N(C(=O)c1ccn(-c2cccc(F)c2)n1)C1CC1 71826951 ZMYNPJYSSZCTDZ-LBPRGKRZSA-N 313.376 3.415 0 40 DGAB CCOCc1ccccc1NC(=O)N(CC)C[C@H]1CCCO1 69036403 WFKLMHGOPOAXAR-OAHLLOKOSA-N 306.406 3.256 0 40 DGAB COc1cc(NC(=O)Cc2noc3ccccc23)cc(OC)c1 8122710 VSEODERADLVCQI-UHFFFAOYSA-N 312.325 3.026 0 40 DGAB Cc1cccc(C[S@@](=O)[C@H](C)C(=O)N(C)c2ccccc2)c1 71858888 WWINDQSDCWMLQA-QRQCRPRQSA-N 315.438 3.295 0 40 DGAB Cc1csc([C@H](C)NC(=O)N2CCc3ccccc3C2)n1 69327858 PJBIYVGVACOKMX-LBPRGKRZSA-N 301.415 3.280 0 40 DGAB COc1ccc([C@@H](C)N2CCC(C(=O)N(C)C)CC2)cc1Cl 69442124 ILHPIBCOHWIBHB-GFCCVEGCSA-N 324.852 3.210 0 40 DGAB FC(F)(F)COc1ccc(CSCc2ccon2)cn1 95428151 KSXQWKCWBRZTSF-UHFFFAOYSA-N 304.293 3.444 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@@H]1CCCOc2ccccc21 69737373 LHXSCYJKECZHNF-OAHLLOKOSA-N 315.373 3.005 0 40 DGAB C[C@@H](NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1cnn(C)c1 95436056 WHKMWOHGIWMRFB-CZUORRHYSA-N 315.417 3.154 0 40 DGAB CC(C)(C)c1csc(CCNC(=O)Nc2ccncc2)n1 69812584 GNQOBVVVEKUHHW-UHFFFAOYSA-N 304.419 3.200 0 40 DGAB Cc1ccccc1CCNC(=O)CN1CC[C@H](c2ccccc2)C1 69842557 WOFHPSNYDMPDGV-FQEVSTJZSA-N 322.452 3.143 0 40 DGAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCCc1ccccc1 9722696 PMBWJWKYOWOYQX-HNNXBMFYSA-N 313.397 3.130 0 40 DGAB Cc1cccc(C2(C(=O)N3CCC[C@@H](n4ccnc4)C3)CCC2)c1 69900986 QJAGCJSVYGMOOB-GOSISDBHSA-N 323.440 3.477 0 40 DGAB CC(C)[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@@H]2C 8748659 FPHHCCMWFUGROR-QWRGUYRKSA-N 307.365 3.055 0 40 DGAB Cc1csc(-c2ccc(NC(=O)NC[C@@H]3CCOC3)cc2)n1 72230607 NZQVWXQEZQNNQV-LBPRGKRZSA-N 317.414 3.277 0 40 DGAB Cc1nc(C(C)(C)C)sc1[C@@H](C)N[C@H](C)Cn1cncn1 95967513 IXFBHKAVRNKNLE-GHMZBOCLSA-N 307.467 3.080 0 40 DGAB Cc1cn2c(n1)[C@@H](CNCc1csc(C3CC3)n1)CCC2 89702153 CPFICWHYGBIEOX-CYBMUJFWSA-N 302.447 3.193 0 40 DGAB NC(=O)CCCNC(=O)c1cc(-c2ccccc2)ccc1Cl 89851152 AGHZNVLOFWBTIF-UHFFFAOYSA-N 316.788 3.002 0 40 DGAB CCN(Cc1ccoc1)C(=O)c1cccc(Nc2cnn(C)c2)c1 89969361 CQDOJPOLUYOBQU-UHFFFAOYSA-N 324.384 3.419 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1c[nH]c2ccccc2c1=O 22234091 DNYAOCZFZIPCCR-UHFFFAOYSA-N 300.264 3.059 0 40 DGAB C[C@@H]1CC[C@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C 3846154 SUWQWMJVXMAAJM-CWTRNNRKSA-N 313.397 3.314 0 40 DGAB biogenic CC1CCC(N(C)S(=O)(=O)c2ccc3c(c2)CCC3)CC1 32724506 GRPYEKGTWGXCAZ-UHFFFAOYSA-N 307.459 3.375 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@@H]2c2nc3ccccc3o2)ncn1 536221809 QJKVDUUCYFLQOG-OAHLLOKOSA-N 322.368 3.294 0 40 DGAB CCc1cccc(NC(=O)Nc2c(C)nn(CCOC)c2C)c1 79776102 RTGVBBSMPRMXDM-UHFFFAOYSA-N 316.405 3.353 0 40 DGAB CC1=NCCCNC(C)(C)CC(C)=NCCCNC(C)(C)C1 1547138091 MSSQKRFDIDGBSG-UHFFFAOYSA-N 308.514 3.219 0 40 DGAB biogenic CC(C)(C)c1ccc(C(=O)NCC[C@H](O)c2ccco2)cc1 77110947 IZSYXPUYHOKFKN-HNNXBMFYSA-N 301.386 3.431 0 40 DGAB COc1ccc(NC(=O)c2cnc(C(C)C)nc2C)cc1OC 75436958 QULVMQODHWPCSR-UHFFFAOYSA-N 315.373 3.178 0 40 DGAB c1cncc(-c2c[nH]c([C@@H]3COCCN3C3CCCCC3)n2)c1 72322031 TYZVPUMYBGCUII-KRWDZBQOSA-N 312.417 3.178 0 40 DGAB biogenic,in-vitro Cc1ccc(C(=O)Nc2ccc3c(c2)sc(=O)n3C)c(C)c1 225068849 LJSFFUHZTZVVMD-UHFFFAOYSA-N 312.394 3.469 0 40 DGAB Cc1cc(CNC(=O)N[C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)no1 574510352 BANKMTCWXRWGPK-SMDDNHRTSA-N 323.755 3.131 0 40 DGAB CC(=O)c1ccc(CCNC(=O)CCc2ccccc2F)s1 225672645 KMLWHHRHPYFPHF-UHFFFAOYSA-N 319.401 3.381 0 40 DGAB CN(C(=O)Cc1cncn1Cc1ccccc1)c1ccc(F)cc1 225556961 DKGZQGYCBCRFEP-UHFFFAOYSA-N 323.371 3.276 0 40 DGAB COc1cccnc1NC(=S)N[C@@H](C)CCc1ccccc1 225516691 KLYDURYMMHAQTH-ZDUSSCGKSA-N 315.442 3.398 0 40 DGAB COC(=O)[C@H]1CC[C@@H](NC(=O)Nc2c(C)cc(Cl)cc2C)C1 225715121 LVRPLTVIHOFYKQ-WCQYABFASA-N 324.808 3.420 0 40 DGAB COc1cccc(-c2cnc(CCC(=O)NC(C)(C)C)o2)c1 224842694 HMSAOHHOOQSVJO-UHFFFAOYSA-N 302.374 3.198 0 40 DGAB COc1cccc([C@@H](CO)Nc2cc(C(F)(F)F)ccn2)c1 95408637 PIIHCLYAPBGXGV-CYBMUJFWSA-N 312.291 3.255 0 40 DGAB COCc1ccccc1NC(=O)NC[C@H]1CCO[C@@H]1C(C)C 96455182 ROJSRZKIEYBOFZ-CZUORRHYSA-N 306.406 3.016 0 40 DGAB O=S(=O)(C[C@@H]1CCCCO1)c1cccc(C(F)(F)F)c1 96451858 QXEBFKPQRAJFDZ-NSHDSACASA-N 308.321 3.048 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2CNC(=O)Cc1ccc(C)nc1 97379269 KKFBNQRHMOPOPE-KRWDZBQOSA-N 324.424 3.177 0 40 DGAB C[C@H](NCc1nnc(C2CC2)n1C)c1nc(C(C)(C)C)cs1 97374459 HLIKLURZGVQIES-JTQLQIEISA-N 319.478 3.297 0 40 DGAB Cc1ccc([C@H]2COCCN2C(=O)c2cccc(F)c2F)o1 96408361 NUGIQKKGZVJOEG-CYBMUJFWSA-N 307.296 3.080 0 40 DGAB O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@@H](c2ccncc2)C1 584748132 ZUJYAIJLXHXEKI-OAHLLOKOSA-N 324.428 3.093 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)[C@@H]1C[C@H]1c1ccccc1 68725215 HEQMXCVDTLAZEC-JKSUJKDBSA-N 318.380 3.224 0 40 DGAB Cc1cc(C)n(-c2ccc(NC(=O)N3CCCC3)cc2F)n1 47859046 PGPBCOIXCSEDIZ-UHFFFAOYSA-N 302.353 3.256 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)c(C)n1 52645375 SFBQXDZUMYZOBZ-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB CCCCCCNC(=O)c1cc(S(C)(=O)=O)ccc1Cl 40458890 FSSFJOXUXQODDH-UHFFFAOYSA-N 317.838 3.054 0 40 DGAB CCCc1noc([C@@H](C)Oc2ccc3ccc(=O)oc3c2)n1 75147065 OKNPSATUHXIXAX-SNVBAGLBSA-N 300.314 3.269 0 40 DGAB CCc1nnsc1C(=O)N(C)Cc1c(F)cccc1Cl 40464659 FGZZJJXTESDILI-UHFFFAOYSA-N 313.785 3.165 0 40 DGAB OC[C@@H]1CCN(Cc2ccccc2)C[C@@H]1OCc1ccccc1 1772491076 DAEQJRXBQKIVSA-PMACEKPBSA-N 311.425 3.086 0 40 DGAB O=C(NC(=O)c1c(Cl)cccc1Cl)Nc1nccs1 5670353 PVMDHZJJJROMPP-UHFFFAOYSA-N 316.169 3.412 0 40 DGAB COc1ccc([C@@H]2CC(c3cc4ccccc4oc3=O)=NN2)cc1 5513923 FFUWTGVRKRNVNE-INIZCTEOSA-N 320.348 3.240 0 40 DGAB CSc1nc(NC(=O)Nc2cccc(C(F)(F)F)c2)n[nH]1 16248669 YADTWMDXRANQMX-UHFFFAOYSA-N 317.296 3.189 0 40 DGAB Cc1ccc(-c2nnc([C@H]3CCCN3Cc3cccnc3)o2)cn1 19215107 WFMWWWAQWOMJGW-MRXNPFEDSA-N 321.384 3.172 0 40 DGAB O=C(NCc1nnc(-c2nccc3ccccc23)o1)C1CCCC1 19376538 DYFSHCHELGUIMB-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB CCN(C(=O)Cc1ccccc1)[C@@H]1CN(C)C2(CCCCC2)C1 19695628 BPLQMYYUMWAVKY-SFHVURJKSA-N 314.473 3.485 0 40 DGAB C[C@@H](OC(=O)c1ccc2c(c1)CCCC2)C(=O)NC1CCCC1 5504680 XLZXFDFYVZWYGV-CYBMUJFWSA-N 315.413 3.170 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)Nc2ccc3c(c2)OCO3)cc1C 5940014 XZUALNWFAXMFHF-CYBMUJFWSA-N 312.369 3.471 0 40 DGAB COc1ccc(CN2CCC(N(C)c3ccccn3)CC2)cc1 1889124925 RLURWNIJBPINCH-UHFFFAOYSA-N 311.429 3.191 0 40 DGAB CCc1nccn1CC1CN(c2ccc3cc(OC)ccc3n2)C1 2087146398 QBVGTKADVWMUKJ-UHFFFAOYSA-N 322.412 3.139 0 40 DGAB CC(C)C(=O)N1CCCc2cc(NC(=O)c3ccco3)ccc21 5374127 NKGTWHSTVKVBRR-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB Cc1cccc(CSC2=NS(=O)(=O)c3ccccc3N2)c1 6918565 ODJZQZBNYZQQTJ-UHFFFAOYSA-N 318.423 3.399 0 40 DGAB CC(C)c1ccc(NC(=O)N[C@H](Cn2ccnn2)C(C)C)cc1 575617511 WFLASFKOMWDKMV-MRXNPFEDSA-N 315.421 3.248 0 40 DGAB C[C@H](O)c1ccc(CCNC(=O)Nc2ccccc2F)s1 225690425 QFOSVDLVAAVACM-JTQLQIEISA-N 308.378 3.305 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1cccc(Cl)c1 100038731 NHPQBTUVOXYENI-MBIARJLFSA-N 317.772 3.047 0 40 DGAB O=C(NCC(F)(F)F)c1csc(Cc2ccccc2)n1 30877477 LTIHSBVURHDXFD-UHFFFAOYSA-N 300.305 3.026 0 40 DGAB CC(C)[C@@H]1Oc2cc(N)ccc2N(Cc2ccc(F)cc2)C1=O 20276244 MCXDFNOPRFXFKL-KRWDZBQOSA-N 314.360 3.358 0 40 DGAB COc1ccc(N2C(=O)C[C@@H]([C@H](C)c3ccccc3)C2=O)cc1 100548054 AXRGWJWMPSXWHE-DYVFJYSZSA-N 309.365 3.378 0 40 DGAB CC(C)CNC(=O)[C@@H](C)Nc1cccc(OC(F)(F)F)c1 20368656 LHOGYIRCXRRXKE-SNVBAGLBSA-N 304.312 3.158 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)N1[C@H]2CC[C@H]1c1ccccc12 101218320 ZASUYLMLPLPXPK-STQMWFEESA-N 321.302 3.320 0 40 DGAB CC[C@@H](C)NC(=O)Nc1cccc(I)c1 32862234 CBQVZLOTFULSMU-MRVPVSSYSA-N 318.158 3.211 0 40 DGAB CCOC(=O)N[C@H](C(=O)Nc1ccc(C)c(Cl)c1)C(C)C 32911639 QOVAFQPEKMVNJS-ZDUSSCGKSA-N 312.797 3.358 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)N1CCC[C@@H]1c1ccncc1 32902260 ZEUHPDVPIMXSGG-GOSISDBHSA-N 305.381 3.469 0 40 DGAB COc1ccccc1C(=O)N[C@H]1CCCN(Cc2ccccc2)C1 32911531 HAAGPTNTHKKSMO-KRWDZBQOSA-N 324.424 3.090 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)CSc2nncn2C)cc1 31495 ZAFRNTCICSNNOW-LLVKDONJSA-N 304.419 3.059 0 40 DGAB CC(C)(C)c1nc2cc(NC(=O)c3cc[n+]([O-])cc3)ccc2o1 47529230 XJIJBCDKMMXACW-UHFFFAOYSA-N 311.341 3.011 0 40 DGAB CC1=NN(c2cc(C(F)(F)F)nc(-c3ccccc3)n2)C(=O)C1 365962 HDWGJPXFSOIZAF-UHFFFAOYSA-N 320.274 3.275 0 40 DGAB CCc1ccc2[nH]c(C)c(CC(=O)NCCN(CC)CC)c2c1 23234519 XBAVKVJPHXTVOL-UHFFFAOYSA-N 315.461 3.039 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(=O)[nH]c1 1099687 FRPVPQBJEKGMBX-UHFFFAOYSA-N 306.321 3.420 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccc(C)c1 79106266 MXLAJXPSFRDJAC-QGZVFWFLSA-N 322.364 3.421 0 40 DGAB Cc1c(Cl)c(C(F)F)nn1CC(=O)N1CCC[C@H](C)C1 2779125 LFZDYCACTAEJRV-QMMMGPOBSA-N 305.756 3.041 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2C[C@H]3CC[C@@H]2C3)c(OC)c1 3261187 XFHDZNYOXSXEGW-MISXGVKJSA-N 306.431 3.179 0 40 DGAB CC(=O)CC[C@@]1(C)OC(=O)[C@H](C)[C@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@@H]21 4974617 NHZLUFNTQGVTCV-QMGRKGTOSA-N 320.429 3.319 0 40 DGAB Clc1ccc(COc2cccc(CNn3cnnc3)c2)cc1 7602379 SXVRFVWMUTWCIA-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB Cc1nnc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)o1 7980893 VEGVJOLUKVVKPL-UHFFFAOYSA-N 312.300 3.327 0 40 DGAB O=C(CCCc1nc2ccccc2s1)NCc1cccnc1 12514835 KFJRARFOFLBAAY-UHFFFAOYSA-N 311.410 3.330 0 40 DGAB c1ccc(COc2ccc(CN3CCO[C@H]4CCC[C@H]43)cc2)nc1 106853143 LROVKGJVHVTQKZ-UXHICEINSA-N 324.424 3.414 0 40 DGAB NC(=O)N1C(=O)/C(=C(/O)c2cccs2)c2cc(Cl)ccc21 104069448 LXIKEPCNDFVJKC-VAWYXSNFSA-N 320.757 3.253 0 40 DGAB Cc1ccc(C)c(OC2CCN(C(=O)NCC3CC3)CC2)c1 56597010 FFYGYTJWMAFUNT-UHFFFAOYSA-N 302.418 3.266 0 40 DGAB O=c1nc(Nc2ccc(Cl)cc2)[nH]nc1Cc1ccccc1 8737877 XAGXZVRLVRWDEI-UHFFFAOYSA-N 312.760 3.153 0 40 DGAB CCCc1nnc(SCCCOc2cccc(C(=O)O)c2)o1 8731627 HRGGDJDDJOURCG-UHFFFAOYSA-N 322.386 3.282 0 40 DGAB O=C(Cc1cccs1)Nc1nnc(Cc2ccc(F)cc2)o1 8922055 HDTAUKKOLAUGLE-UHFFFAOYSA-N 317.345 3.042 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C 12640481 GHGYJCXBKJXLMG-DLTWYDFYSA-N 300.446 3.379 0 40 DGAB Cc1ccc(F)cc1NC(=O)c1cn(C)c2ccccc2c1=O 22234344 WDBYILYPWYQTQU-UHFFFAOYSA-N 310.328 3.238 0 40 DGAB CC(C)(C(=O)N1CCC[C@@H](CCC(=O)O)C1)c1cccc(F)c1 95992030 TVYIQOCDISOYMA-ZDUSSCGKSA-N 321.392 3.207 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@H](C1CCCCC1)N(C)C 95955517 UPWDLKZVPMLKNU-OAHLLOKOSA-N 321.465 3.347 0 40 DGAB CC(=O)N[C@H]1CCCN(Cc2ccc(SC(F)F)cc2)C1 58224791 SEXSSWQVKBHOQE-ZDUSSCGKSA-N 314.401 3.102 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)N(C)Cc2ccsc2)c1 12743102 HOFHCLVTVLUACR-GFCCVEGCSA-N 304.415 3.216 0 40 DGAB Cc1csc(-c2ccc(C(=O)Nc3nc(C)no3)cc2)n1 58380770 CPTKJKMDKVPHRN-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CC(=O)c1cccc(NC(=O)N(C)Cc2nc3ccccc3[nH]2)c1 58331535 IXHDBOUFMBJXMB-UHFFFAOYSA-N 322.368 3.429 0 40 DGAB CSc1ccccc1NC(=O)CSc1nnc(C)s1 3389299 XKNBUQNVCUSVOP-UHFFFAOYSA-N 311.457 3.299 0 40 DGAB COc1cccc(NC(=O)[C@]23CC[C@@](C)(C(=O)C2)C3(C)C)c1 100892247 HATUQRDWMMYCIN-ROUUACIJSA-N 301.386 3.419 0 40 DGAB COc1ccc2c(c1)OCC(C(=O)Nc1ccc(C(C)=O)cc1)=C2 12831141 WVDVNYYTBATKSU-UHFFFAOYSA-N 323.348 3.312 0 40 DGAB O=C1C[C@@H](C(=O)N(C2CCCCC2)C2CC2)c2ccccc2N1 45490298 OWOMZJNRZSUURX-MRXNPFEDSA-N 312.413 3.436 0 40 DGAB Cc1nc([N+]2=C3C=CC=C[C@@H]3N=N2)c2c3c(sc2n1)CCC3 101456294 NZSAEOSWVMFEJD-NSHDSACASA-N 308.390 3.449 0 40 DGAB COC(=O)CSc1ncnc2c1sc1nc(C)c(C)cc12 12391999 ZDTBNIQWBLJSPG-UHFFFAOYSA-N 319.411 3.121 0 40 DGAB Cn1ccnc1[C@@H](NCc1cnn(C(C)(C)C)c1)c1ccccc1 48710491 OAEPZKVKHKXRLK-KRWDZBQOSA-N 323.444 3.251 0 40 DGAB CC[C@@H](C(=O)Nc1ncc(C(=O)OC)s1)c1ccccc1 13012664 NOEIQGDWYJDNDL-LLVKDONJSA-N 304.371 3.062 0 40 DGAB C[C@H](NC(=O)Cc1cnn(-c2ccccc2)c1)c1ccccc1 13018269 ISBOAIDLACDWSY-HNNXBMFYSA-N 305.381 3.292 0 40 DGAB CN(C)[C@H](CNC(=O)c1c(F)cccc1F)c1ccsc1 13011119 JGUQZYZVCWZZTP-CYBMUJFWSA-N 310.369 3.059 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)[C@]2(C)CC2(Cl)Cl)C1 48920265 FRYBGUVTZHPSRZ-RISCZKNCSA-N 321.292 3.197 0 40 DGAB C=C1c2cc(OC)c(OC)cc2CCN1C(=O)c1ccccc1 4085501 HSVKFSXHPUJBLY-UHFFFAOYSA-N 309.365 3.373 0 40 DGAB biogenic COC(=O)c1sccc1NC(=S)N1C[C@@H](C)C[C@@H](C)C1 13879166 BWWWGDFIGWAUCM-AOOOYVTPSA-N 312.460 3.209 0 40 DGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)c1ccc2nncn2c1 84636996 HVLOIRUCCLAIAJ-CQSZACIVSA-N 322.412 3.216 0 40 DGAB O=C(Oc1ccc(-c2nnco2)cc1)c1ccc(F)cc1F 6495493 SPTLZGFYWKZOAF-UHFFFAOYSA-N 302.236 3.234 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@@]1(C)Cc2ccccc2C(=O)O1 4539890 PWPLKFIKLKIKJP-LJQANCHMSA-N 309.365 3.414 0 40 DGAB O=C(COC(=O)C1CCCC1)Nc1ncc(Cl)cc1Cl 6640280 ILNFKMCZDNGCMF-UHFFFAOYSA-N 317.172 3.060 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)c2ccc(F)cc2)c1 6649549 YDWXPFNWXXKQQW-LLVKDONJSA-N 300.333 3.275 0 40 DGAB Cc1cc(C)c(NC(=O)CCNC(=O)c2ccco2)c(Cl)c1 14668774 CLODDLWCKBWYSK-UHFFFAOYSA-N 320.776 3.308 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@H]1Oc2ccccc2O[C@H]1C 9478453 ARHYUPXSRXVECX-ZBEGNZNMSA-N 301.317 3.301 0 40 DGAB COc1ccccc1C1=NO[C@H](C(=O)Nc2ccc(C)cc2)C1 6738310 ASQCZFPKSLWSSB-KRWDZBQOSA-N 310.353 3.135 0 40 DGAB CSCc1ccc(Cl)c(NC(=O)N(C)CC(C)(C)O)c1 95409308 MYFWMBOVOAZMEJ-UHFFFAOYSA-N 316.854 3.438 0 40 DGAB S=c1n(CN2CCCC2)nc(C2CC2)n1-c1ccccc1 6996817 DRZJHQWLSJGTKV-UHFFFAOYSA-N 300.431 3.334 0 40 DGAB Cc1cc2nc(C)c(CCC(=O)Oc3ccccc3)c(C)n2n1 7667144 BZNRSLWJOUCPTO-UHFFFAOYSA-N 309.369 3.193 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)CCC3CCCC3)cc2NC1=O 8014203 YSLJVRTWUXAKSC-NSHDSACASA-N 302.374 3.315 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)[C@@H](C)c2cc(C)oc2C)c1 70010833 YOEOUHUQWGAWQE-GOEBONIOSA-N 315.417 3.196 0 40 DGAB CCC(=O)Nc1cccc(C(=O)Nc2ccc(Cl)nc2)c1 71803704 RBKJAHHLMVDWHW-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)C(=O)c1ccc2nncn2c1 69528481 YSKBVSKQVBSNLW-GFCCVEGCSA-N 320.352 3.309 0 40 DGAB CC[C@H](NC(=O)CCOc1ccccc1)c1nc(C)cs1 69970848 KMBKUQSPCNBVRK-AWEZNQCLSA-N 304.415 3.488 0 40 DGAB CCCn1c(SCc2c(F)cccc2Cl)n[nH]c1=O 9634540 QDSUKWJVGWSLHB-UHFFFAOYSA-N 301.774 3.066 0 40 DGAB CC(C)(C)CC(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1 97021700 ZDKHNZCQOCVGKE-UHFFFAOYSA-N 314.433 3.402 0 40 DGAB COc1ccc([S@@](=O)[C@H](C)c2nc(C(C)(C)C)no2)cc1 97001666 WBAWLCZJJVFRJP-LADRHHBVSA-N 308.403 3.245 0 40 DGAB COc1ccc([C@H](CO)N(C)C(=O)c2ccccc2Cl)cc1 97046451 CLMMSLGZNSPGPV-INIZCTEOSA-N 319.788 3.154 0 40 DGAB C[C@](O)(CC(=O)Nc1cccc(-c2cn[nH]c2)c1)c1ccccc1 97079740 BIZKZOGWIZIUHG-IBGZPJMESA-N 321.380 3.313 0 40 DGAB Cn1ccnc1CNc1ccc(-n2nccc2C(F)(F)F)cc1 95428821 BZPKKBQENNLDNC-UHFFFAOYSA-N 321.306 3.237 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ncnc2c1CCC2 72276560 HNCBILYVLNEJDS-CYBMUJFWSA-N 317.824 3.002 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 72282146 GWIYGTXWWRWRJB-HIFRSBDPSA-N 322.474 3.371 0 40 DGAB O=C(CSCc1ccccc1)NCCOc1ccccc1 22479827 NBEJBSVMWHGOJV-UHFFFAOYSA-N 301.411 3.115 0 40 DGAB C[C@H](NC(=O)N[C@H]1CCO[C@]2(CCSC2)C1)c1ccccc1 89905669 BHFJAVJJMYFHTP-JLJPHGGASA-N 320.458 3.102 0 40 DGAB O=C(O)Cc1csc(NC(=O)/C=C\c2ccc(Cl)cc2)n1 62714401 XWYFBRXNIQJTGP-UTCJRWHESA-N 322.773 3.076 0 40 DGAB Cc1cccc(CN2CCn3c(-c4cccs4)cnc3C2)n1 306132853 LULFVNWFILZNBX-UHFFFAOYSA-N 310.426 3.331 0 40 DGAB CC(C)c1nnc2sc(-c3cc(C(C)(C)C)nn3C)nn12 36357013 VRQHFCXNPLNTPM-UHFFFAOYSA-N 304.423 3.007 0 40 DGAB CSc1ccccc1C(=O)NCCN1C[C@@H](C)C[C@@H](C)C1 40107572 MJKYGBUBLWJEDC-OKILXGFUSA-N 306.475 3.116 0 40 DGAB COCc1cccc(NC(=O)N[C@H](CCO)c2ccccc2)c1 77676678 PGQPILYKBUYFHH-QGZVFWFLSA-N 314.385 3.078 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@@]2(C)CC(c3cccs3)=NO2)C1 226747866 NIIBMPUBSRZPEX-BFQNTYOBSA-N 306.431 3.136 0 40 DGAB Cc1nc(NC(=O)c2cncc(Br)c2)sc1C 21359729 HPKLUQXJMRJUBS-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccc(C)cn2)cc1 225643560 QCTJLMZPJCKLIR-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCc1ccc(F)cc1)c1ccccc1 226750244 UTRARBCPWFGPAZ-OAHLLOKOSA-N 315.344 3.091 0 40 DGAB O=C(NCc1ccccc1)c1snnc1-c1ccc(F)cc1 225777239 IQIJFQVAVPWKLL-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB CS(=O)(=O)CCCCS[C@@H]1CCc2c(F)cccc21 96469261 NFLHXFGJDRWJSL-CQSZACIVSA-N 302.436 3.371 0 40 DGAB Cc1ccc(N2CCC[C@H](Sc3nncs3)C2=O)cc1 96424827 PNTFACXRBJWGJG-LBPRGKRZSA-N 305.428 3.134 0 40 DGAB CC(C)(C)OC(=O)N[C@H](CO)c1ccc(Br)cc1 95532444 QFKIGDYLKNXDFN-LLVKDONJSA-N 316.195 3.007 0 40 DGAB CCOc1cc(NC(=O)NC[C@H](O)c2ccsc2)ccc1C 96418051 RYSNHRPWQRPRIB-AWEZNQCLSA-N 320.414 3.310 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1 96425584 HKIVEKQIBAVUJE-PBHICJAKSA-N 311.429 3.477 0 40 DGAB CN(C)c1ccc(NC(=O)N2CCO[C@@H]3CCC[C@H]32)cc1Cl 96415949 ROJZGIOOGJLCDH-HUUCEWRRSA-N 323.824 3.191 0 40 DGAB COC1(c2noc(-c3ccc(C)nc3C(C)C)n2)CCOCC1 585133468 IWHRPVXBVXOPJZ-UHFFFAOYSA-N 317.389 3.216 0 40 DGAB O=C(c1cccc2cccnc12)N1CCC[C@@H](Cc2ccn[nH]2)C1 257271334 MXWHWYCCUCOXCF-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCNC2)n1 257265209 LXSSCXSZPXLILS-LBPRGKRZSA-N 303.435 3.069 0 40 DGAB Cc1nnc(COC(=O)c2ccc(-c3cccs3)nc2C)o1 21550128 QTTVDOSPQCBTKZ-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB Cc1noc([C@@H](C)NC(=O)Nc2ccc(OC(C)C)cc2C)n1 69617673 XGPFXYIPKBPKPG-LLVKDONJSA-N 318.377 3.356 0 40 DGAB COc1ccc(Cl)cc1CN1CCC[C@@H]1c1noc(C)n1 75573053 REEXNRNRSCPVPR-CYBMUJFWSA-N 307.781 3.377 0 40 DGAB Cn1ncc(C2CCC2)c1/C=C/c1ncc(/C=C/C(=O)O)s1 585091697 XUHYRTWARFOWIF-ZCOYIIAOSA-N 315.398 3.412 0 40 DGAB C[C@@H](O)CCCCCC(=O)NC[C@@H](C)Oc1cccc(F)c1 585132291 SJUHPDCGDRFSEF-ZIAGYGMSSA-N 311.397 3.041 0 40 DGAB COc1cccc2ncnc(N3CCOc4ccc(C)cc4C3)c12 553337214 BQLKBJMJCILJPW-UHFFFAOYSA-N 321.380 3.346 0 40 DGAB CCOc1ccccc1-n1c(S)nnc1-c1ccc(O)cc1 13533930 UIJIGHKMCRODJB-UHFFFAOYSA-N 313.382 3.327 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(-c2cccnc2)[nH]n1 15785503 SINKPCJSRCJJJG-LBPRGKRZSA-N 304.353 3.063 0 40 DGAB CC(=O)OCc1ccc(C(=O)Nc2cc(F)ccc2C)cc1 6935988 FNXAXFMCKNHVHO-UHFFFAOYSA-N 301.317 3.450 0 40 DGAB CCc1ccccc1NC(=O)c1cc(C2CCOCC2)ncn1 1888853234 ZHBOFGKDAPYQQA-UHFFFAOYSA-N 311.385 3.185 0 40 DGAB O=C(Cc1cccs1)NCc1ccnc(-c2cccnc2)c1 238885679 PYVJVPCNGSANRD-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB O=CN[C@@H](C(=O)Nc1cccc(Cl)c1)c1ccccc1Cl 97807 GDNMUHJGQWYFBW-CQSZACIVSA-N 323.179 3.419 0 40 DGAB CCOC(=O)c1sc(=S)n(-c2ccccc2OCC)c1N 425170 IYMWOPUOALDTAC-UHFFFAOYSA-N 324.427 3.426 0 40 DGAB Cc1cc2ncn([C@H]3CC(=O)N(c4ccccc4)C3=O)c2cc1C 1441096 HBKAPQOPQFMLMT-KRWDZBQOSA-N 319.364 3.158 0 40 DGAB c1ccc(CSc2ccc3nnc(-c4cccnc4)n3n2)cc1 4327773 ZQNRTWVYBXZDIU-UHFFFAOYSA-N 319.393 3.479 0 40 DGAB O=C(Cc1cccs1)NCc1nccnc1-c1ccsc1 575617906 BAAZNYFFHYDWGU-UHFFFAOYSA-N 315.423 3.126 0 40 DGAB CN1CCC2(CCCN(C(=O)/C=C/c3cccs3)C2)CC1 374099065 JTHOLOGPHGVRLH-AATRIKPKSA-N 304.459 3.096 0 40 DGAB Cc1ncsc1C(=O)NCc1ccccc1OC(F)(F)F 40106485 HJFSGOPMRUSKJI-UHFFFAOYSA-N 316.304 3.280 0 40 DGAB COc1ccc2cnn(C/C=C/c3ccccc3)c(=O)c2c1OC 40309069 MKIFWNWTFZURCQ-RMKNXTFCSA-N 322.364 3.127 0 40 DGAB biogenic Cc1c(C(=O)O[C@H](C(N)=O)c2ccccc2)oc2ccccc12 32869105 MUZOLCPOYGQFSD-INIZCTEOSA-N 309.321 3.125 0 40 DGAB CC[C@H](C)NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 32933151 KZCFRNSWFPZAKJ-QWHCGFSZSA-N 317.458 3.427 0 40 DGAB Nn1c(SCc2ccc(F)cc2)nnc1-c1ccccc1 524806 WEKZBEWCKDJCIO-UHFFFAOYSA-N 300.362 3.090 0 40 DGAB O=C(NN1C(=O)c2ccccc2NC12CCCC2)c1ccccc1 54428 GBLKEHLHWRXOFQ-UHFFFAOYSA-N 321.380 3.170 0 40 DGAB CCOC(=O)c1c(CN(CC)CC)oc2ccc(OC)cc12 54793 JVKHTMOGDVLAFZ-UHFFFAOYSA-N 305.374 3.460 0 40 DGAB CCOC(=O)c1c(N)n(C2CCCC2)c2nc3ccccc3nc12 116739 WALLVSRBKCIBIY-UHFFFAOYSA-N 324.384 3.459 0 40 DGAB O=S(=O)(Nc1c(F)cccc1F)c1ccc(Cl)cc1 562915 VSVXOFAFPAPGNS-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB COc1ccccc1NC(=S)NC(=O)c1ccc(C)cc1C 570451 PFAUJUYOICHUAF-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB C[C@H]1CN(Cc2ccco2)C(=S)N(c2ccccc2)C1=O 1679444 YZNHPDKURAUZKC-LBPRGKRZSA-N 300.383 3.049 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3317688 VQSIIMPNJURVEY-WFASDCNBSA-N 323.820 3.121 0 40 DGAB CCOc1ccc(C(=O)c2ccccc2C(=O)O)cc1OCC 3344807 OBLVZWVKNCXJKD-UHFFFAOYSA-N 314.337 3.413 0 40 DGAB Cc1cc(OCc2cc(=O)n3ccsc3n2)ccc1Cl 4846666 MAGZMGQROOKXML-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB CCCc1nnc(SCc2c(F)cccc2Cl)n1N 5214002 HVZFPQBHZJOFGM-UHFFFAOYSA-N 300.790 3.029 0 40 DGAB Cc1cccc(-n2c(=O)c3ccccc3n3c(=S)[nH]nc23)c1 6507714 GIOHZUXLYXFUQU-UHFFFAOYSA-N 308.366 3.004 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cccnc1SC 6847731 DKQSKNMBLUCHLU-NSHDSACASA-N 302.399 3.303 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(OC)cc1 8424723 MAMKMJKBCVQMMS-UHFFFAOYSA-N 309.369 3.246 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1ccc(Cl)cc1)c1ccco1 10328223 AQNVSMVLRVYLQY-CYBMUJFWSA-N 307.781 3.357 0 40 DGAB Cn1ccc([C@H]2CCCCCN2C(=O)c2c(F)cccc2F)n1 12133707 KXSUOVYRWDMESC-OAHLLOKOSA-N 319.355 3.456 0 40 DGAB O=C(c1cnn(-c2ccccc2)c1)N1CCC[C@@H]1c1ccncc1 12528339 MIRDVWKJKPSDIS-GOSISDBHSA-N 318.380 3.245 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cn(C)c3ccccc23)c1 12536881 WZXNBDJVXPLUBF-UHFFFAOYSA-N 310.353 3.448 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 12633134 LWLPORXSTYOEKY-BMYCAMMWSA-N 315.413 3.157 0 40 DGAB O=C(CCNC(=O)c1ccccc1)Nc1cccc2c1CCCC2 12925182 ZFGIZTRTZFTBAC-UHFFFAOYSA-N 322.408 3.324 0 40 DGAB COc1ccc(C)cc1CCNC(=O)/C=C/c1ccsc1 12933287 ZPDLWOHFDPIOGP-GQCTYLIASA-N 301.411 3.437 0 40 DGAB O=C(Cn1cccn1)Nc1ccc(Cl)c(C(F)(F)F)c1 13007794 HNMNVMHAERIQBB-UHFFFAOYSA-N 303.671 3.194 0 40 DGAB Cc1cc2cc(CNCc3ccccc3)c3nnnn3c2cc1C 13998122 AUBIDMUFLJUJMP-UHFFFAOYSA-N 317.396 3.184 0 40 DGAB CSc1ccccc1NC(=O)Cc1ccc2c(c1)OCCO2 15305653 ROBXJCLOYWHGIU-UHFFFAOYSA-N 315.394 3.361 0 40 DGAB C[C@H](NC(=O)c1cnn(Cc2ccccc2)c1)c1ccccc1 17323546 CGNLGJDMLGQOHM-HNNXBMFYSA-N 305.381 3.422 0 40 DGAB Cc1ccc(CNC(=O)Cc2cccc(C(F)(F)F)c2)n1C 23574722 JTWUTBFEMNASOR-UHFFFAOYSA-N 310.319 3.211 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1cn(-c2ccccc2)nn1 31873137 VKHQCYKVTUCOAC-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1ccccc1F 32876675 BYOAZHJXUGPGFD-GFCCVEGCSA-N 310.328 3.279 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Oc2cccc(C)c2C)s1 39989076 MCDCXOGWTZTQOP-SNVBAGLBSA-N 323.443 3.283 0 40 DGAB CCCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@H]2C)cc1 41095322 GJPMZWITNVXPBA-CZUORRHYSA-N 311.447 3.332 0 40 DGAB O=C(NC[C@H]1Cc2ccccc2O1)Nc1ccc2c(c1)CCC2 43389869 YSQDRWBRCSWXOV-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@@H]1c1cccs1 45966204 YOQFEAQYGPQIPB-CYBMUJFWSA-N 317.414 3.198 0 40 DGAB CC[C@H]1CCc2nc(NC(=O)[C@H](C)n3cccn3)sc2C1 48374763 KSRGSKKLYYUTOD-QWRGUYRKSA-N 304.419 3.054 0 40 DGAB CC(C)(C)c1ccc(C(=O)OCC(=O)Nc2nccs2)cc1 51356063 KKYNRQHMEPYWJQ-UHFFFAOYSA-N 318.398 3.236 0 40 DGAB Cc1occc1C(=O)NC1CCN(c2ccc(F)cc2)CC1 53244354 OGEDTWFIHZOAIA-UHFFFAOYSA-N 302.349 3.126 0 40 DGAB O=C(CCc1ccc(-c2ccccc2)[nH]1)NCCc1ccccn1 55410687 QDCVYJRTAJAYLX-UHFFFAOYSA-N 319.408 3.368 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccccn2)N1Cc1cccnc1 57770949 KFUZEMJSBJHASH-GOSISDBHSA-N 316.364 3.243 0 40 DGAB C[C@H](NC(=O)CN1CCC[C@@H]1c1cccn1C)c1cccs1 58068052 UNHQOQPYBKUAQF-DZGCQCFKSA-N 317.458 3.101 0 40 DGAB O=C(CSC[C@H](O)c1ccccc1)NC1CCCCCC1 58307705 JLUVQQVRINCZMS-INIZCTEOSA-N 307.459 3.292 0 40 DGAB Cc1cc(C)n(CCCNC(=O)c2cnc(C(C)(C)C)s2)n1 65564625 AYHZGRFKRQQTQZ-UHFFFAOYSA-N 320.462 3.074 0 40 DGAB COC(=O)c1ccc(C)c(Nc2nccc(-c3cccnc3)n2)c1 66352022 BECBKQYLJDEVDN-UHFFFAOYSA-N 320.352 3.377 0 40 DGAB in-vitro Cc1cccc(-c2[nH]ncc2CN[C@H](C)[C@@H](C)n2cccn2)c1 69368406 FZNBUMQHKSPRAQ-HUUCEWRRSA-N 309.417 3.321 0 40 DGAB Cc1ccc([C@@H](CNC(=O)C[C@@H]2C=CCC2)N2CCCC2)o1 69513618 ZZRGAKFSHAJDIB-HZPDHXFCSA-N 302.418 3.197 0 40 DGAB Cc1cc([C@H](NC(=O)[C@@H](C)n2cncn2)C(C)C)c(C)s1 71903615 LSGYOYFZOCPFGY-BXUZGUMPSA-N 306.435 3.031 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N1CCC(n2cc(C)cn2)CC1 71903955 VRRVYTAQHOONBR-QGZVFWFLSA-N 319.449 3.093 0 40 DGAB CCCN1CCCC[C@H]1c1cnc(N2CCOCC2)c(C)c1 72219359 LQRABXXODMBFIZ-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB N[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(Cl)cc1Cl 72228176 XXGSLTJRFBSTIB-HUUCEWRRSA-N 321.207 3.404 0 40 DGAB C[C@@H](NC(=O)CCc1ccccn1)c1cccc(-n2ccnc2)c1 76067560 HTUWUNFEBSDUNK-OAHLLOKOSA-N 320.396 3.077 0 40 DGAB Cc1cccc(CCNC(=O)c2c(C)noc2C(F)(F)F)c1 76092582 YIEWRNSVYBREDR-UHFFFAOYSA-N 312.291 3.283 0 40 DGAB Cc1noc(C)c1CN(C)CC(=O)c1cc(C)n(C2CC2)c1C 78953913 ICTVDHMTSPXYDM-UHFFFAOYSA-N 315.417 3.359 0 40 DGAB Cc1ccc(C(=O)N2CC[S@](=O)C[C@@H]2c2ccccc2)s1 89656261 LBGXKWIFJHPVGU-SPLOXXLWSA-N 319.451 3.002 0 40 DGAB CC(C)C[C@@H](CO)NC(=O)c1cc(C2CC2)nc2ccccc12 89821026 RHPXKPALOISZRI-AWEZNQCLSA-N 312.413 3.249 0 40 DGAB CCN(Cc1ccccn1)S(=O)(=O)C[C@@H](C)c1ccccc1 89969328 KVXNDMRGBCIJRY-OAHLLOKOSA-N 318.442 3.037 0 40 DGAB COC(=O)c1ccc(CNc2ccc(-c3ncno3)cc2)cc1 92169184 APPDNFLRDSFIOX-UHFFFAOYSA-N 309.325 3.135 0 40 DGAB c1cncc(-c2ccc(CN3CC[C@@H](Oc4ccncc4)C3)o2)c1 93865782 OMTIXHVIJSZSAD-GOSISDBHSA-N 321.380 3.390 0 40 DGAB Cc1noc(C2CC2)c1NC(=O)N(C)[C@@H](C)c1ccncc1 95942290 NHBBBRCWJLMYKP-NSHDSACASA-N 300.362 3.480 0 40 DGAB Cc1ccc(CNC[C@H]2OCCc3cn(CC4CC4)nc32)s1 96044350 WIRGZCYEKOLZRO-MRXNPFEDSA-N 317.458 3.067 0 40 DGAB CCc1ccc([C@@H](COC)NC(=O)c2ccnc(Cl)c2)o1 96423293 XNWUQDZIELQZTL-GFCCVEGCSA-N 308.765 3.008 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)N(C)Cc1ccc(Cl)c(F)c1 96485898 JOIMQXGDQKUOQM-UHFFFAOYSA-N 324.787 3.161 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)c1cncc2ccccc12 97084189 LYINCNDDPSXSMY-IAGOWNOFSA-N 307.353 3.382 0 40 DGAB CCn1cc(-c2cc(O)n3nc(C)c(-c4ccccc4)c3n2)cn1 100776434 KDVVULWORHBFFP-UHFFFAOYSA-N 319.368 3.294 0 40 DGAB COc1ccccc1OCC(=O)N[C@H](C)[C@H]1C[C@H]2CC[C@H]1C2 105697364 JPONRDIGEBUFDY-CBBWQLFWSA-N 303.402 3.015 0 40 DGAB O=C(c1ccc(Br)c(F)c1)N(CC(F)F)C1CC1 106832856 IERXLPNPXRBPQS-UHFFFAOYSA-N 322.124 3.458 0 40 DGAB Cc1cc(NC(=O)Nc2ccc(OC3CCCC3)nc2)[nH]n1 192248810 RUXDRJGKEMHYCV-UHFFFAOYSA-N 301.350 3.079 0 40 DGAB CN(C)c1ncc(NC(=O)c2ccc(-c3ccccc3)cc2)cn1 224245101 YSAGNFGONQMBHM-UHFFFAOYSA-N 318.380 3.462 0 40 DGAB COC1(CNC(=O)Nc2cccs2)Cc2ccccc2C1 225722661 IZHVQXQBJHFEBN-UHFFFAOYSA-N 302.399 3.054 0 40 DGAB COCCC1(NC(=S)Nc2cccc(OC)c2)CCCC1 225846883 LZFDCJPZPZDWHH-UHFFFAOYSA-N 308.447 3.331 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)n1cc(-c2ccccc2)cn1 257173196 GJDOMXZKIWQDEY-CQSZACIVSA-N 323.400 3.100 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2cccc(F)c2F)n1 257323966 WMPLRJTWWTYTSW-CQSZACIVSA-N 304.344 3.134 0 40 DGAB COc1ccc([C@H](CN(C)C)NC(=O)c2cscc2C)cc1 284297460 KOLAIUULPCNDRL-INIZCTEOSA-N 318.442 3.098 0 40 DGAB CCC(=O)Oc1ccc(Br)cc1/C=C(\C)[N+](=O)[O-] 408527425 NRTQATZKBDQDPB-SOFGYWHQSA-N 314.135 3.402 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3cccc(F)c3)C2=O)cc1 409234807 MPWJRIIEOPRQDK-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB COc1cccc(Cc2noc(-c3noc4c3CCCC4)n2)c1 546268868 LSIGNNPRJBWXSK-UHFFFAOYSA-N 311.341 3.203 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)NC1Cc2ccccc2C1 546568970 QCWIBNKIFGIINM-HNNXBMFYSA-N 308.425 3.474 0 40 DGAB Cc1cc(C)n([C@@H](CNC(=O)c2ccco2)c2ccsc2)n1 575613680 KCCAKLHQFYMJHT-AWEZNQCLSA-N 315.398 3.174 0 40 DGAB CC[C@H](C(=O)NCCn1cc(-c2ccco2)cn1)c1ccccc1 575614786 HRGAXAGPNXKYRN-KRWDZBQOSA-N 323.396 3.453 0 40 DGAB C[C@@H](CC(=O)N1CC[C@@H](c2ncc[nH]2)C1)Cc1cccc(F)c1 585126731 GYVFWKSIEHSZQB-UKRRQHHQSA-N 315.392 3.134 0 40 DGAB CCc1ccccc1[C@@H](N)CNC(=O)N1CCC[C@H](CCF)C1 952852435 UWKVINWCFOVNFO-PBHICJAKSA-N 321.440 3.030 0 40 DGAB c1ccc(N2C[C@@H]3CN(c4nc5ccccc5s4)C[C@H]3C2)nc1 2298092186 KOFDVQXMDWVPEW-ZIAGYGMSSA-N 322.437 3.264 0 40 DGAB O=C(NC(=O)c1c(F)cccc1F)Nc1c(F)cccc1F 92109 JGIMSSXFWVLFJA-UHFFFAOYSA-N 312.222 3.205 0 40 DGAB O=C1c2ccccc2C(=O)N1c1cccc(Br)c1 195205 SMVJGKRXJINAFW-UHFFFAOYSA-N 302.127 3.250 0 40 DGAB CCc1c(C)sc(NC(=O)c2cccnc2)c1C(=O)OC 318059 CAKCOYNCRTZRMN-UHFFFAOYSA-N 304.371 3.053 0 40 DGAB CSc1nccn1CC(=O)Nc1ccccc1OC(C)C 1438522 ZFQMTHCLSGJPMZ-UHFFFAOYSA-N 305.403 3.031 0 40 DGAB Cc1ccc2nc(-c3ccc(N)c(S(=O)(=O)O)c3)sc2c1 1634080 SGFXNJIQRFEOIA-UHFFFAOYSA-N 320.395 3.101 0 40 DGAB O=C1O[C@@H](C(=O)Nc2ccc(F)c(Cl)c2)Cc2ccccc21 1887436 QJRPKUWIBBTDRG-CQSZACIVSA-N 319.719 3.199 0 40 DGAB CCCCCOc1ccc(C(=O)N[C@H](CCC)C(=O)O)cc1 2262362 FKJFCCRUAKPMGB-OAHLLOKOSA-N 307.390 3.239 0 40 DGAB Cc1nc(C(=O)Nc2ccc(F)cc2)nn1-c1ccc(F)cc1 3111122 XQADUEKYBGBMJD-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB C[C@H]1CCCC[C@@]12NC(=O)N(Cc1cccc(Cl)c1)C2=O 3374673 BDGQCEFIPMUGPQ-MEDUHNTESA-N 306.793 3.341 0 40 DGAB O=C(COc1cccc(Cl)c1)Nc1ccc2c(c1)OCO2 3516048 GFBXXTUCNCNEPO-UHFFFAOYSA-N 305.717 3.086 0 40 DGAB Cc1ccc(OCCN2C(=O)NC3(CCCCCC3)C2=O)cc1 3592714 WGGBMPFNPSSHSA-UHFFFAOYSA-N 316.401 3.019 0 40 DGAB CCC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4998718 QLDJBDMRBDREAL-CHWSQXEVSA-N 322.836 3.306 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N2CCn3cccc3[C@H]2C)c(C)c1 6948222 ZAYWBBXTARDCKG-OAHLLOKOSA-N 318.442 3.179 0 40 DGAB CCOc1ccc(S(=O)(=O)NC[C@@H](C)c2ccccc2)cc1 7309575 UNGFGYAACYMWBZ-CQSZACIVSA-N 319.426 3.167 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 8734965 PWLNHLNQAVWRKQ-XHDPSFHLSA-N 312.344 3.129 0 40 DGAB CCOc1cccc(NC(=O)[C@@H](C)Oc2ccccc2OC)c1 9816801 QZMLEMJGBPXFOV-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB O=C(Cc1ccc(Cl)s1)Nc1nnc(-c2ccco2)o1 10061085 UOTGCDKQMFYXQR-UHFFFAOYSA-N 309.734 3.226 0 40 DGAB C[C@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccccn1 12115102 YABANYPVTZIZCP-NSHDSACASA-N 311.316 3.367 0 40 DGAB CC(C)Oc1ccc(C(=O)NCC2CCN(C(C)C)CC2)cc1 12442740 ANUPCJQZMPWJBU-UHFFFAOYSA-N 318.461 3.324 0 40 DGAB C[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1 12772129 ZVSCPQXKKALHKV-ZDUSSCGKSA-N 306.365 3.062 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)CN2C[C@H](C)O[C@H](C)C2)cc1 12788299 KGLLWYOOSJOIBA-SOUVJXGZSA-N 304.434 3.248 0 40 DGAB CNC(=O)c1ccc(CN(C(=O)c2ccc(C)cc2)C2CC2)cc1 12868042 NWUZVGNXMOBKTM-UHFFFAOYSA-N 322.408 3.159 0 40 DGAB Oc1cc(COc2ccccc2)nn1-c1nc2ccccc2o1 14607855 JWCLUYUXVREFHV-UHFFFAOYSA-N 307.309 3.298 0 40 DGAB CCN(CC)[C@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 14903540 BJNPVXNSOUBGGS-QFQMRYFISA-N 312.413 3.492 0 40 DGAB COc1ccc(CNC(=O)c2cc3ccccc3cc2O)cc1 17129676 RIBDMMOCOZWUOI-UHFFFAOYSA-N 307.349 3.484 0 40 DGAB Cc1c(C(=O)Nc2cc(F)ccc2F)cnn1-c1ccccn1 19910971 RYQJVFKRQQHKBF-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB Cc1c(C(=O)Nc2nccs2)[nH]c2c1C(=O)CC(C)(C)C2 25966618 SYAWRYBXWQYWSP-UHFFFAOYSA-N 303.387 3.187 0 40 DGAB FC(F)(F)c1cccnc1N1CCN(Cc2ccccc2)CC1 29044738 HTFGIZODUBNSSD-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB Cc1nc2cc(C(=O)Nc3cn[nH]c3)ccc2n1-c1ccccc1 29712019 BOHZEJIJXHJKAL-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB Cn1cc(Cl)cc1C(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31177893 MDEVQUNNKKAIIX-OAHLLOKOSA-N 322.767 3.031 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)NCc1ccccc1OC(F)F 32885716 DVPLAGPBPUGXLN-LBPRGKRZSA-N 321.323 3.372 0 40 DGAB CCN(CC)C(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 36109919 XWJKQEUDSBTWLQ-KRWDZBQOSA-N 310.397 3.026 0 40 DGAB CC(C)(C)c1csc(NC(=O)Cc2cn3ccsc3n2)n1 40457632 IWVXOWFULKAGOA-UHFFFAOYSA-N 320.443 3.331 0 40 DGAB O=C(NC[C@H](c1ccco1)N1CCCCC1)Nc1ccccn1 43136983 UQCAWLRWJPQMAB-CQSZACIVSA-N 314.389 3.023 0 40 DGAB Cc1n[nH]c(C)c1[C@H]1Nc2ccccc2C(=O)N1Cc1ccco1 44979355 OINVSWXNYBLARL-KRWDZBQOSA-N 322.368 3.386 0 40 DGAB C[C@H]1CN(CCNc2ccnc3cc(Cl)ccc23)C(=O)O1 45221341 GGPPYNKSWZGVQR-JTQLQIEISA-N 305.765 3.141 0 40 DGAB CNc1nnc(SCc2nccn2Cc2ccccc2)s1 48235552 ZIROENCKVFYXQE-UHFFFAOYSA-N 317.443 3.117 0 40 DGAB CC(C)OCCCNC(=O)Cc1ccc(C(F)(F)F)cc1 48287087 ZWJWVGAYXIHUMU-UHFFFAOYSA-N 303.324 3.179 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)Nc1cccnc1OC 48414160 UUPOJKIXJAACBY-GFCCVEGCSA-N 315.373 3.324 0 40 DGAB Cc1ccc(C(=O)N2CCCN(Cc3ccccc3)CC2)c(C)n1 48477239 XOPVDJDPTVBABI-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB C[C@@H](Cc1ccsc1)NC(=O)NCCCN1CCC[C@@H](C)C1 52524808 MGGATPQORPPXAI-CABCVRRESA-N 323.506 3.100 0 40 DGAB O=C(C[C@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1 56308514 PIPQKELFVWVTAV-OAHLLOKOSA-N 310.397 3.353 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)ccc2F)cc1F 57472300 CFEJAXROKQJQPX-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)NC1CCC(C)CC1 58007410 VEWRGKXXKZDDNG-UHFFFAOYSA-N 317.433 3.397 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)c1c(O)cccc1Cl 58202938 OUYQATXMROSOAP-UHFFFAOYSA-N 315.760 3.194 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 58420765 ZJIFAFVSWRHVAZ-SECBINFHSA-N 303.387 3.013 0 40 DGAB Cc1ccc(C)n1NC(=O)COc1cccc(Br)c1 59549633 WBQJXDQKDJYNAV-UHFFFAOYSA-N 323.190 3.017 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccccc2C(F)(F)F)n(C)n1 59734995 PLZHPULTFIHONT-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB COc1cccc(-c2nsc(NC(=O)c3ccco3)n2)c1 61997353 UDFFRCBSSHZGSM-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB Cc1cc(C)cc(NC(=O)CCc2nc(-c3cccnc3)no2)c1 64799602 WHTKEVLGRQDMPW-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB CCSCCC(=O)NCCc1coc(-c2ccc(C)cc2)n1 69459350 NDVBIHLYLUOGLQ-UHFFFAOYSA-N 318.442 3.452 0 40 DGAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1ccc(Cl)cc1Cl 69538217 LOPJHECNSTYGOW-HOGDKLEQSA-N 322.257 3.157 0 40 DGAB CC(C)Cc1ccc([C@@H](O)CN2CCCN3CCC[C@@H]3C2)cc1 69879797 VDCIOSOCVROUDO-UXHICEINSA-N 316.489 3.089 0 40 DGAB O=C(CSCc1ccccn1)N1CCCc2cccc(F)c21 69924771 PYFWVJXKXHVTCF-UHFFFAOYSA-N 316.401 3.433 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)CCc2ccsc2)c1 71865701 LHFIVZWZFHZSRI-INIZCTEOSA-N 317.458 3.267 0 40 DGAB COc1ccc(N(C)C(=O)c2ncoc2-c2cccs2)cn1 71886261 GCGCJVQENRHUOY-UHFFFAOYSA-N 315.354 3.083 0 40 DGAB COc1ccc(-c2cc(-c3ccc(OC)cc3)nc(N)n2)cc1 71977349 ZFMPORMMFCGMPG-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB COc1cccc(NC(=O)c2nnsc2-c2ccccc2)c1 72239966 MTKPIAIHXMWXEN-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1csc(C2(NC(=O)Nc3nccs3)CCCC2)n1 72289408 KGOVKVUPJAPVRV-UHFFFAOYSA-N 308.432 3.499 0 40 DGAB CC[C@@H](C(=O)NCCCOc1ccc(C)cc1)N(CC)CC 78822559 YXWUMLUNJFKWRH-KRWDZBQOSA-N 306.450 3.001 0 40 DGAB CCc1nnc(CNc2c(F)cc(Br)cc2F)o1 79066028 ODWNTRKXJCYKTR-UHFFFAOYSA-N 318.121 3.285 0 40 DGAB O=C([C@@H]1CCCO1)N1CCCCC[C@H]1C[C@H](O)c1cccs1 79066501 GYCFFTUWMQIGQZ-KKUMJFAQSA-N 323.458 3.122 0 40 DGAB O=C(O)CSC1CCC(NC(=O)OCc2ccccc2)CC1 79392148 CXPFHHLXPAYIBA-UHFFFAOYSA-N 323.414 3.042 0 40 DGAB O=C(CCSc1ccccn1)Nc1cccc(-n2ccnc2)c1 87132407 PZOJVHXUFZJNIK-UHFFFAOYSA-N 324.409 3.388 0 40 DGAB Cc1nn2cccnc2c1C(=O)N1CCC2(CCCCC2)CC1 89534529 AQAGKNHYKBZNOQ-UHFFFAOYSA-N 312.417 3.224 0 40 DGAB O=C(NC[C@@H]1C[C@@H]1c1ccccc1)c1ncoc1[C@@H]1CCCO1 89828012 PNYXGLCAENMAJL-ZNMIVQPWSA-N 312.369 3.060 0 40 DGAB c1ccc(-n2ccc(CN[C@H]3CCOC4(CCCC4)C3)n2)cc1 91063194 XGUKCQMZCDINCS-INIZCTEOSA-N 311.429 3.454 0 40 DGAB CC(C)(F)C(=O)Nc1ccc(Oc2ccccc2C(N)=O)cc1 92362171 LHRSAQDHGQRDAN-UHFFFAOYSA-N 316.332 3.264 0 40 DGAB Cc1ccc2cccc(C(=O)N3C[C@H](C)Oc4ncccc43)c2n1 95460628 GYUAOKQGNJYGLG-ZDUSSCGKSA-N 319.364 3.366 0 40 DGAB C[C@@H](C(=O)N1CCC(C)(CO)CC1)c1cc2ccccc2o1 95941064 SVBZWOFSZDKUPN-CYBMUJFWSA-N 301.386 3.157 0 40 DGAB Cc1ccc(SC2CCCC2)c(C(=O)N2CC[C@@H](O)C2)c1 95990199 AYKVWNKDEMWKPK-CYBMUJFWSA-N 305.443 3.237 0 40 DGAB Cc1nnc(-c2ccccc2C(=O)OCc2cnc(C)s2)o1 96002336 PJKTYIFOVDQPGR-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB O=C(Nc1ccccc1)N1CCC2(CN(Cc3ccccc3)C2)C1 96070784 ZJPCTWQMASHWGQ-UHFFFAOYSA-N 321.424 3.426 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)c2cc(C)oc2C)cc1 96103030 MBSSWKCGXAZMNZ-HNNXBMFYSA-N 305.399 3.082 0 40 DGAB COC[C@@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccco1 96445871 DSDPLJQWZLSSQO-LLVKDONJSA-N 321.402 3.124 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CCC(O)CC1 96446768 RXNILDLWYAXNHA-AWEZNQCLSA-N 304.434 3.048 0 40 DGAB O=C(N[C@H]1CC2(CCC2)Oc2ccccc21)c1ccncc1F 96466179 GCESWPYWEYLDPL-HNNXBMFYSA-N 312.344 3.397 0 40 DGAB O=C(N[C@H](Cc1ccccc1)C(F)(F)F)c1ccncc1F 96477695 AGGKHVHDVMKMOA-CYBMUJFWSA-N 312.266 3.124 0 40 DGAB C[C@H](CN[C@H](C)c1cccc2ccccc12)CS(C)(=O)=O 96490756 ALHBPOGDAOMIGP-ZIAGYGMSSA-N 305.443 3.171 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)N1CCCC[C@@H]1c1cn[nH]c1 97049254 HYLSNXAMGDRPMP-QGZVFWFLSA-N 323.400 3.328 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H](C)Nc2cnn(CC(F)F)c2)c1 97140063 DIULQRGNFYNFFA-LBPRGKRZSA-N 322.359 3.204 0 40 DGAB CC[C@@H](C)OC(=O)CNCCO[C@H]1C[C@H]2CC[C@@]1(C)C2(C)C 101030087 HRPHOCGNCCHABP-ZXFNITATSA-N 311.466 3.149 0 40 DGAB C[C@@H]1CC(=O)c2cnn(-c3ccccc3Br)c2C1 199727790 VRJNOZNAQXOQQW-VIFPVBQESA-N 305.175 3.400 0 40 DGAB O=C(O)c1ccc2c(c1)[C@@]1(C[C@H]1c1ccccc1Cl)C(=O)N2 217476581 NRCFBBJFOVKPPU-YVEFUNNKSA-N 313.740 3.416 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCC 223282093 YJRCMHQEDKUGDH-CQSZACIVSA-N 322.424 3.259 0 40 DGAB CCc1ccc(C[C@H](Oc2cccc(OC)c2)C(=O)O)cc1 225043448 PVPYYYKVANJWGG-KRWDZBQOSA-N 300.354 3.332 0 40 DGAB CCOc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)cc1 225106468 LYJGELMLFFMPNW-KRWDZBQOSA-N 300.354 3.468 0 40 DGAB Cc1cc(S(=O)(=O)N[C@H](C)c2ccc(F)cc2)ccc1F 225604951 FAVXGGBKDLHVFE-LLVKDONJSA-N 311.353 3.313 0 40 DGAB Cc1nc(-c2ccc(C(=O)N(C)c3nncs3)cc2)cs1 225650740 LLPOLGIZCXKPTR-UHFFFAOYSA-N 316.411 3.247 0 40 DGAB COc1cccc(NC(=O)c2cc3cccc(C)c3oc2=O)c1 226034866 KXLWYOTYWHNARO-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB C[C@@](NC(=O)OCc1ccccc1)(C(=O)O)C1CCCCC1 226770941 QMGYRRZFIYMWAX-KRWDZBQOSA-N 305.374 3.336 0 40 DGAB O=C(c1cc2ccccc2s1)N1CC(Oc2cccnc2)C1 238961928 YODCORLEJNHQPB-UHFFFAOYSA-N 310.378 3.200 0 40 DGAB CNc1cncc([C@@H]2CCCN2CC2=Cc3ccccc3OC2)n1 257259387 KYDRNHMCMRIKMR-KRWDZBQOSA-N 322.412 3.131 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257337337 YSKRUVLWJGVOSF-AWEZNQCLSA-N 323.387 3.235 0 40 DGAB CCn1c(S[C@H]2CCC[C@H](OC)C2)nnc1-c1cccnc1 585119123 SGCKGIOOLUZECN-KBPBESRZSA-N 318.446 3.410 0 40 DGAB O[C@@H]1[C@@H](N2CCCCC2)CCC[C@H]1Oc1cccc(Cl)c1 585289291 HODBHPKEUMWULG-GVDBMIGSSA-N 309.837 3.487 0 40 DGAB CC(=O)N1[C@@H](CC(C)C)c2[nH]c3ccccc3c2C[C@@H]1C(=O)O 1505840740 YDIFCVPDLGJGPX-JKSUJKDBSA-N 314.385 3.113 0 40 DGAB CO[C@H](CNc1ncc(Br)cn1)c1ccccc1C 1775996088 UNKLTHCXCSROTB-CYBMUJFWSA-N 322.206 3.347 0 40 DGAB CCc1cc(-c2onc(N)c2-c2cscn2)c(O)cc1OC 125051 BEIIEPXVXBXGTP-UHFFFAOYSA-N 317.370 3.324 0 40 DGAB Cc1ccc(SCC(=O)Nc2ccc(O)c(C(=O)O)c2)cc1 367912 HNVAMWXFUZOMHV-UHFFFAOYSA-N 317.366 3.130 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2ccccc2OC)nc1 1352710 LDRLCCDTRPMTGI-UHFFFAOYSA-N 313.357 3.081 0 40 DGAB CC[C@H](C(=O)NCCc1cn2cccc(C)c2n1)c1ccccc1 2960990 YVANOAUTHIFDGX-SFHVURJKSA-N 321.424 3.495 0 40 DGAB Cc1ccc(-n2nnnc2-c2cnoc2-c2ccccc2)cc1 3125845 JQLYUXCZWCVDPT-UHFFFAOYSA-N 303.325 3.293 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)[C@@H]1COc2ccccc2O1 3346387 JBVFZVZPSDMMLA-QAPCUYQASA-N 309.365 3.020 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1C 3510801 VBNYKJFKIPGEOL-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CCSc1nnc(NC(=O)CSCc2ccco2)s1 4263066 ZFHGZHWCQVYTJA-UHFFFAOYSA-N 315.445 3.115 0 40 DGAB O=C(NC1[C@H]2CCC[C@@H]1CN(C1CC1)C2)c1ccc(Cl)cc1 4935168 FTVQIRKWWNOSJN-VMZNBEPHSA-N 318.848 3.333 0 40 DGAB Cn1cnc2cc(NC(=O)COc3ccc(Cl)cc3)ccc21 4941570 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QGTIDIRCSGUWDM-UHFFFAOYSA-N 303.416 3.116 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccccc1 8752869 HUPPGRGUNSEHGK-INIZCTEOSA-N 301.365 3.250 0 40 DGAB NC(=O)c1cccc(NC(=O)c2ccccc2SC(F)F)c1 9549336 VKSRQZKGEKGTML-UHFFFAOYSA-N 322.336 3.353 0 40 DGAB COc1ccc(-c2nsc(NC(=O)c3ccco3)n2)cc1 12111360 AEOHUCMVKAIKIW-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CCONC(=O)c1ccccc1C(=O)c1ccc(Cl)cc1 12739917 VWZDSMZURYBKQX-UHFFFAOYSA-N 303.745 3.252 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)c2ccc(-c3ccccc3F)o2)C1 13171311 ZOQPKOZTINIQSQ-LLVKDONJSA-N 317.316 3.023 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCc1cccs1)[C@@H]2C(=O)O 13320274 OBPHHSJTTNHASM-CTHBEMJXSA-N 319.426 3.058 0 40 DGAB CC(C)[C@H](C)NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1 14093893 XEDJBCTVADFLEF-ZDUSSCGKSA-N 320.433 3.486 0 40 DGAB CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCOC(C)C 20459035 OFHAVGSXUCZLCC-QGZVFWFLSA-N 307.434 3.392 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Cl)c(Cl)c1)[C@H]1CCCO1 20550602 WTRAMAOHPJAVCL-NOZJJQNGSA-N 302.201 3.220 0 40 DGAB CCCc1nc2nc3c(cn2n1)C(=O)C[C@H](c1cccc(C)c1)C3 20796155 LIFYMTKTCNQXMW-CQSZACIVSA-N 320.396 3.298 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N1CCCCC1 21897360 LYTUPQYAUSLKCF-UHFFFAOYSA-N 301.365 3.254 0 40 DGAB COc1ccccc1-c1nc(Cl)n(-c2nc(C)cc(C)n2)n1 22125591 ORNXPMQGYMTQBX-UHFFFAOYSA-N 315.764 3.003 0 40 DGAB CCc1cccc(NC(=O)[C@@H]2CN(C(C)=O)c3ccccc3O2)c1 23702851 IQHNBHNQDIUQDO-SFHVURJKSA-N 324.380 3.002 0 40 DGAB Cc1nc(C)c(C(=O)OCc2nc(C)c3ccccc3n2)s1 25218567 UIKXPZWMIPICPD-UHFFFAOYSA-N 313.382 3.369 0 40 DGAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCCO2)c1cccs1 26245264 PDBMEGPXBPNKBX-LLVKDONJSA-N 318.398 3.080 0 40 DGAB COC(=O)CCCCCCNC(=O)c1cccc2ncccc12 29438569 XQNXJIJUZZZEDK-UHFFFAOYSA-N 314.385 3.088 0 40 DGAB O=C(c1ccoc1)N1CCC(NCc2ccccc2Cl)CC1 30668712 WIZLTOTUHXFJQV-UHFFFAOYSA-N 318.804 3.327 0 40 DGAB O=C(Nc1ccc(F)cc1)c1cn(-c2ccc(Cl)cc2)nn1 32817740 WMYWIXCMCLVPNI-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB O=C(/C=C/c1cnc2ccccc2n1)N1CCc2ccccc2C1 35684639 NLHLVBGIEMTWPP-MDZDMXLPSA-N 315.376 3.228 0 40 DGAB O=C(c1ccc(F)c(F)c1F)N1CCO[C@@H](c2ccccc2)C1 36076025 RMALRKGTWWMQOC-CQSZACIVSA-N 321.298 3.318 0 40 DGAB Clc1cccc2sc(NCCCN3CCOCC3)nc12 36657637 IWNPMYKDBHWCEP-UHFFFAOYSA-N 311.838 3.084 0 40 DGAB COCCn1cnnc1SCc1ccc(F)cc1Cl 39579561 QOCBWJGGJNAPEB-UHFFFAOYSA-N 301.774 3.009 0 40 DGAB CCCCOc1ccc(C(=O)O)cc1I 39951773 VGNKAZNRASCZBX-UHFFFAOYSA-N 320.126 3.168 0 40 DGAB CCN(CC)C(=O)CSc1nccn1-c1cccc(C)c1 44204779 WDUKZXDLZXURRL-UHFFFAOYSA-N 303.431 3.141 0 40 DGAB C[C@H](NC(=O)N(C)Cc1cnn(-c2ccccc2)c1)c1ccco1 44895296 ZNLYBQWCVDENOY-AWEZNQCLSA-N 324.384 3.368 0 40 DGAB Cc1cc(CS(=O)(=O)Cc2c(Cl)cccc2Cl)no1 46108333 JKFFSSPKLNEFGI-UHFFFAOYSA-N 320.197 3.405 0 40 DGAB O=C(NCc1ccc(O)cc1)c1csc(Cc2ccccc2)n1 48287249 CLFBNUFWCULSQD-UHFFFAOYSA-N 324.405 3.370 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCCCOc2ccccc2)c1 48310913 LPCPGDRFPCVAAY-UHFFFAOYSA-N 319.426 3.051 0 40 DGAB O=C(NCCc1ccsc1)c1cc(-c2cccs2)n[nH]1 49511785 NRUJCAOSTUYVCF-UHFFFAOYSA-N 303.412 3.172 0 40 DGAB COc1ccc(C)cc1N[C@@H](C)C(=O)N1CCc2ccccc2C1 57861377 ALNGCOZHHCXHPO-HNNXBMFYSA-N 324.424 3.389 0 40 DGAB COc1ccc(C(=O)[C@H](C)Sc2nnc(C)s2)cc1OC 58197444 XBHGVHRNWDDDTO-QMMMGPOBSA-N 324.427 3.227 0 40 DGAB O=C(OC/C=C/c1ccccc1)[C@H]1CC(=O)N(c2ccccc2)C1 58358131 CTYDCEQYKMPMAC-JEJOPICUSA-N 321.376 3.296 0 40 DGAB CC(C)C(=O)N1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 58421412 ULTASUYYNAABQP-ZDUSSCGKSA-N 317.364 3.238 0 40 DGAB CCN(Cc1ccc(C(=O)Nc2cc(C)nn2C)cc1)C(C)C 65497359 MLBUNCLBLIVIKN-UHFFFAOYSA-N 314.433 3.211 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN2CCC[C@H]2C1 65554772 LNAMWOCMAYGDHR-AWEZNQCLSA-N 317.820 3.132 0 40 DGAB O=C(Nc1ccc(-c2nnc3n2CCCC3)cc1)C1CCCC1 66802937 XNSSADLSTBUVEN-UHFFFAOYSA-N 310.401 3.410 0 40 DGAB Cc1ccc(F)c(C(=O)N2CCC[C@H]2CN2CCCCC2)c1 68132048 SMPPSCXKGSJKIE-HNNXBMFYSA-N 304.409 3.225 0 40 DGAB COc1ccc2oc(C)c(C(=O)Nc3ncccc3OC)c2c1 69457156 NPCSIBKPLJLSFB-UHFFFAOYSA-N 312.325 3.406 0 40 DGAB O=C(c1ccnc(Oc2ccccc2)c1)N1CCCSCC1 69581153 WUQIHNKQCHDGAE-UHFFFAOYSA-N 314.410 3.453 0 40 DGAB CO[C@@H](C(=O)NCCc1csc(C(C)C)n1)c1ccccc1 69590226 PHLRMMJPHWKMCA-OAHLLOKOSA-N 318.442 3.313 0 40 DGAB O[C@H]1CCCC[C@H]1NCc1ccc(OCc2ccccn2)cc1 69870424 PXOWSMUWMGVLCG-MOPGFXCFSA-N 312.413 3.054 0 40 DGAB O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)N1CCC[C@@H]1CO 71911256 SJLQGSQVOFFZOV-SECBINFHSA-N 322.714 3.347 0 40 DGAB Cc1ccc([C@@H]2CCCCCN2C(=O)c2cn3cccnc3n2)o1 72291784 XXNOIWIZVMOJHP-HNNXBMFYSA-N 324.384 3.388 0 40 DGAB O=C(c1ccccc1)N1CCN([C@@H]2CCc3ccc(F)cc32)CC1 72313264 MNKAKYXOOROWDJ-LJQANCHMSA-N 324.399 3.271 0 40 DGAB CC(C)c1ocnc1C(=O)N[C@H](C)c1cccc(-n2cccn2)c1 74036999 QVUYLPMGIKPMHF-CYBMUJFWSA-N 324.384 3.475 0 40 DGAB CCCN(C)C[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 78563213 JTDYZJJPLPIRFH-LBPRGKRZSA-N 301.356 3.269 0 40 DGAB CCn1c([C@@H]2CCCN(C(=O)C3(C)CCCC3)C2)n[nH]c1=S 78622266 XUJZIDBHLFSLNM-GFCCVEGCSA-N 322.478 3.247 0 40 DGAB FC(F)Oc1cccc(CNCc2cccc3c2OCCO3)c1 78758003 CHXGXHNHZQAATQ-UHFFFAOYSA-N 321.323 3.349 0 40 DGAB CC(C)[C@H]1CN(C(=O)CCc2cccnc2)c2ccccc2N1 78994633 HLUXUMWJFDSHSL-QGZVFWFLSA-N 309.413 3.498 0 40 DGAB CC(C)CC1(C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CCCC1 79069078 BQWSRLMXNPVPHO-IAGOWNOFSA-N 324.509 3.208 0 40 DGAB Cc1ccccc1CC(=O)N(CC(F)(F)F)[C@@H]1CCCOC1 84235554 VUGHPRHBWBXLPC-CQSZACIVSA-N 315.335 3.107 0 40 DGAB O=C(NNc1ncccn1)c1cccc(Oc2ccccc2)c1 84557034 UTOHSMWAHWAYIA-UHFFFAOYSA-N 306.325 3.026 0 40 DGAB Cc1cccc(C2(C(=O)NCc3nncn3C3CC3)CCCC2)c1 89669201 DLENBDGPZQIUIP-UHFFFAOYSA-N 324.428 3.050 0 40 DGAB O=C(NCc1cccc(-n2ccnc2)c1)N(CC1CC1)CC1CC1 89780892 WLDILOFFPRGFSH-UHFFFAOYSA-N 324.428 3.204 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1N[C@@H](C)c1ccncc1 95402487 HYPASAYFPYCQCY-ZMSDIMECSA-N 303.450 3.015 0 40 DGAB Cn1ccnc(Sc2ncc(-c3ccc(Cl)cc3)o2)c1=O 95403049 POYJRIVYISFJJL-UHFFFAOYSA-N 319.773 3.240 0 40 DGAB CC1=C(C(=O)N(C)CCCc2nc3ccccc3[nH]2)CCCO1 95439375 SKULHJKRKBFNIT-UHFFFAOYSA-N 313.401 3.038 0 40 DGAB CCC(CC)[C@@H]1C[C@@H](NCc2ccc(C(=O)NC)cc2)CCO1 95465775 UMMZLNDEIITCOS-ROUUACIJSA-N 318.461 3.120 0 40 DGAB CCCc1nc(COc2ccccc2-c2nc[nH]n2)cs1 95974178 LACDNNVQEZHINN-UHFFFAOYSA-N 300.387 3.460 0 40 DGAB C[C@H](CS[C@@H]1CCN(c2cnn(C)c2)C1=O)c1ccccc1 95993981 QJELNOBJGMTJCJ-CZUORRHYSA-N 315.442 3.062 0 40 DGAB O[C@@H]1CCN(c2ncnc3ccc(F)cc23)Cc2ccccc21 95997030 HOEULTIMEZEWIR-QGZVFWFLSA-N 309.344 3.213 0 40 DGAB Cc1ncc(NS(=O)(=O)c2ccc(F)cc2)c(C)c1Cl 96182464 JWAZVSCWBXDQEU-UHFFFAOYSA-N 314.769 3.292 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3F)=NO2)C1 96192510 VOZOCYBNYWMPJZ-VFVRVIDISA-N 318.392 3.213 0 40 DGAB CC/C=C(\C)C(=O)NCCc1nc(-c2cccc(Cl)c2)no1 96298466 GMRWCEPQGLCVCL-VZUCSPMQSA-N 319.792 3.405 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccccn2)[C@H](C)CO1 96425670 HGSORRLPROCKBY-APWZRJJASA-N 324.424 3.311 0 40 DGAB C[C@H](NC(=O)N1CC[C@@H](Cc2ccccc2)C1)c1nccs1 96439969 IZEHDCAHQVZQES-ZFWWWQNUSA-N 315.442 3.478 0 40 DGAB COc1cccc([C@@H]2[C@H](N[C@@H]3CCSC3)CCN2C2CC2)c1 97234013 XYEMDGFQZUDOKC-ZTFGCOKTSA-N 318.486 3.068 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Cc3cc(C)cc(C)c3)C2=O)cc1 100548037 HUUYADHQBDQXDR-INIZCTEOSA-N 323.392 3.434 0 40 DGAB CS[C@H]1CCC[C@H]1N(C)C(=O)N[C@H]1CCC[C@H]1SC 108487227 UIMKMQJIVHDKFL-LOWDOPEQSA-N 302.509 3.196 0 40 DGAB OC1(Cc2ccc(Br)cc2Cl)CCOCC1 125803524 IRVARLJAUYQSFU-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB CCc1c[nH]c(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)n1 189856823 IVJVRXGKLQFCNL-JTQLQIEISA-N 310.444 3.229 0 40 DGAB Fc1c(-c2noc(C3CCNCC3)n2)cccc1C(F)(F)F 199783263 KICOVTYMZFNJBF-UHFFFAOYSA-N 315.270 3.362 0 40 DGAB O=C(c1ccno1)N1CCS[C@@H](c2cc(F)ccc2F)CC1 219307733 RZGPRRFCTKWNEN-CQSZACIVSA-N 324.352 3.273 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CC 224073675 YYCUMNAEZMLOIU-QGZVFWFLSA-N 318.461 3.163 0 40 DGAB CCOc1ccc(C[C@H](OCc2ccccc2)C(=O)O)cc1 225108862 HBENCFBYLAUQGU-KRWDZBQOSA-N 300.354 3.298 0 40 DGAB O=C(O)c1ccc(NC(=S)NCc2ccco2)c(Cl)c1 225155974 XGCDUQFRDNQORG-UHFFFAOYSA-N 310.762 3.118 0 40 DGAB CCOc1ncc(NC(=O)C2(OCC)CCCCC2)cc1C 225899139 CSVAHTAQULFIMB-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB Cn1cccc1CCNC(=O)c1ccc2nc(Cl)sc2c1 225986114 WJKNXFLVGZWVCQ-UHFFFAOYSA-N 319.817 3.261 0 40 DGAB CCCc1cc(Nc2ncc(C)s2)nc(C2CCNCC2)n1 257202499 AMDFKPMCXOQVQM-UHFFFAOYSA-N 317.462 3.405 0 40 DGAB C[C@@H](C1CC1)n1cc(NC(=O)c2ccccc2-n2cccn2)cn1 547964523 TUMGDXUFJCDZTC-ZDUSSCGKSA-N 321.384 3.292 0 40 DGAB OC[C@@H](C1CC1)[C@H](Nc1ncnc2[nH]c3ccccc3c12)C1CC1 556242051 JQSRMRWZAZKDLX-WMLDXEAASA-N 322.412 3.320 0 40 DGAB Cc1cc(OC[C@H]2CCCN(c3nc(C)cc(C)n3)C2)ccn1 1775972056 BQQWLUDLULYNBL-INIZCTEOSA-N 312.417 3.092 0 40 DGAB Fc1ccc(C[C@@H]2CC3(CO2)CN(Cc2cccnc2)C3)cc1 1848355853 MCQLIUHCSAYBOM-GOSISDBHSA-N 312.388 3.054 0 40 DGAB CC(C)(C)C(=O)N[C@H]1CCCN(c2ncc(Cl)cc2F)C1 2298175117 SPCZQGHMYIFYPV-NSHDSACASA-N 313.804 3.005 0 40 DGAB Cn1cnc(-c2ccc(Br)c(C(F)(F)F)c2)n1 2362801328 FMOJQTSNZMATCH-UHFFFAOYSA-N 306.085 3.263 0 40 DGAB COc1ccc2oc(=O)c(C(=O)Nc3cccc(C)c3)cc2c1 281327 QXRIOBASZHWHAB-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB COc1ccc(Cc2nnc(NC(=O)C(C)(C)C)s2)cc1 1278615 NNCIFZOISXETIU-UHFFFAOYSA-N 305.403 3.122 0 40 DGAB COc1ccccc1C(=O)OCc1cc2cccc(C)c2[nH]c1=O 1292353 XAJKTJYZSRLSMP-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB CCOc1nc(OCC)nc(-c2cccn2-c2ccccc2)n1 1726799 DRHFNVVVWWTYNU-UHFFFAOYSA-N 310.357 3.127 0 40 DGAB CCCOc1cc(NC(C)=O)ccc1C1=CSC2=NCCN12 2197287 WGOUQDHSWLKRAM-UHFFFAOYSA-N 317.414 3.151 0 40 DGAB CCOCCCNc1ncnc2c1[nH]c1ccc(OCC)cc12 2215487 KPCIUTORNIOWAY-UHFFFAOYSA-N 314.389 3.348 0 40 DGAB O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1Cc1ccccc1 2623503 XHGYAJCACLKJKH-OAHLLOKOSA-N 314.772 3.080 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)NCc1ccccc1Cl 2623582 JRWKPTKVZSGESL-CYBMUJFWSA-N 314.816 3.407 0 40 DGAB COc1ccc(CCNC(=O)c2ccc3ccccc3n2)cc1 2630622 KAZLNAHNTCGWPQ-UHFFFAOYSA-N 306.365 3.216 0 40 DGAB CCn1nc(C)c2c(C(F)(F)F)cc(-c3cnn(C)c3C)nc21 2732521 RBIUOFGYNUWRBN-UHFFFAOYSA-N 323.322 3.487 0 40 DGAB CCN(C(=O)COC(=O)c1ccc(Cl)nc1)C1CCCCC1 3234760 PDMAZWBDQAQTDE-UHFFFAOYSA-N 324.808 3.073 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)c(C)c1 3423857 LZFOOJJHLUKLIB-UHFFFAOYSA-N 315.413 3.467 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)NCc1ccccc1Cl 3487325 CSLDSOHFEDPJOC-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB CC(C)(C)c1csc(NC(=O)[C@H]2COc3ccccc3O2)n1 4224272 PSTCEKUCORNKSC-GFCCVEGCSA-N 318.398 3.219 0 40 DGAB O=C(Nc1nnc(-c2cccnc2)o1)c1ccccc1Cl 4265034 UBHOBUAJLNUTIK-UHFFFAOYSA-N 300.705 3.037 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NCCC2=CCCCC2)c1 4616348 XUQMLQXZJBXVLT-UHFFFAOYSA-N 300.402 3.249 0 40 DGAB C[C@@H](OC(=O)c1cc2ccccc2s1)C(=O)N1CCCC1 5088191 XAYWBBZBHXBVHW-LLVKDONJSA-N 303.383 3.069 0 40 DGAB CCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 5443205 XIQXYUNOYKOCMD-SECBINFHSA-N 309.416 3.056 0 40 DGAB Cc1cc(NC(=O)c2ccccc2)n(-c2nc3ccccc3[nH]2)n1 5695855 DLEIEETZPWHPMA-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB CC1(C)[C@@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)O 6085702 HVTWIDRZXOVYOX-XIKOKIGWSA-N 324.384 3.272 0 40 DGAB C[C@@H]1CCc2[nH]c3ccc(C(=O)NC[C@@H]4CCCO4)cc3c2C1 6601492 ZNMNJFOICMRSPE-OCCSQVGLSA-N 312.413 3.202 0 40 DGAB Cc1cc(Cn2cnc3scc(-c4ccccc4)c3c2=O)no1 7820919 YIZZLXTVQSLRSU-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB COc1cc2c(cc1/C=C/C(=O)N1CCCCCC1)O[C@H](C)C2 8157350 LOZKYDQYNBBMGZ-HSBSLETESA-N 315.413 3.434 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2c(F)cccc2Cl)cc1 8230875 URCPXJQDSAQYRC-UHFFFAOYSA-N 321.735 3.196 0 40 DGAB C[C@@H](Sc1ncc2ccccn12)C(=O)NC1CCCCC1 8710008 FYVBLXHIQXGGGL-GFCCVEGCSA-N 303.431 3.264 0 40 DGAB O=C1N[C@H](C2=Cc3cc(Cl)ccc3OC2)Nc2ccccc21 8777569 LBMPXMBOWRJHBN-MRXNPFEDSA-N 312.756 3.297 0 40 DGAB Cc1ccc(C(=O)O)cc1NC(=O)c1ccc(Br)o1 8906274 ASAITYAVLZJBJU-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB CCN1C(=O)CCc2cc(NC(=O)Cc3cccs3)ccc21 9134197 KHMSFCMVHNTQCH-UHFFFAOYSA-N 314.410 3.228 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)Sc2nc3ccccc3o2)no1 9690332 WXZVHZZREBFEGR-SECBINFHSA-N 303.343 3.244 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)Nn1cnc2ccccc21 10403651 URVIXQVDZCATST-LBPRGKRZSA-N 310.357 3.059 0 40 DGAB O=C(NCCc1ccc(-n2cccn2)cc1)Nc1ccccc1F 10465135 LSWZYDPBEPDGCY-UHFFFAOYSA-N 324.359 3.376 0 40 DGAB COc1cccc(-c2ocnc2C(=O)N[C@H](C)c2ccccn2)c1 12115167 STMVTLPGKQPKRN-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB OCCN(Cc1cccs1)Cc1c[nH]nc1-c1ccccc1 12147577 PWIFHFOBAOJNLE-UHFFFAOYSA-N 313.426 3.133 0 40 DGAB O=c1oc2ccccc2n1[C@H]1CCCN(Cc2cccs2)C1 12183920 WQLWTTFVLMBDGE-ZDUSSCGKSA-N 314.410 3.493 0 40 DGAB COc1cccc(NC(=O)[C@H](C)Nc2ccccc2OC)c1 12533525 BDBBTHQKJJZYHY-LBPRGKRZSA-N 300.358 3.143 0 40 DGAB CC(C)(C)OC(=O)COC(=O)/C=C/c1ccc2ccccc2n1 12542845 DCZRKNJUSUZOCY-ZHACJKMWSA-N 313.353 3.133 0 40 DGAB CCOC(=O)c1cc(NC(=O)[C@H](C)CC)cc(C(=O)OCC)c1 12786934 DFGYIDGGEGQQRM-LLVKDONJSA-N 321.373 3.025 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)Nc2nc3c(s2)CCC3)cc1 12899730 LSDDYPGCBZDXHZ-NSHDSACASA-N 302.399 3.346 0 40 DGAB O=C(O)C1CCN(C(=O)c2ccc(-c3ccccc3F)o2)CC1 13167528 WYZHCRLAVBVQJS-UHFFFAOYSA-N 317.316 3.023 0 40 DGAB CC[C@@H](C(=O)Nc1ccccc1Cl)n1c(C)cc(C)nc1=O 19794149 GPEUFAZMIYKCLC-AWEZNQCLSA-N 319.792 3.103 0 40 DGAB C[C@@H]1CCc2onc(C(=O)NCc3cccc(Cl)c3)c2C1 20572089 XEQAYOMKKNJEPN-SNVBAGLBSA-N 304.777 3.383 0 40 DGAB O=C(Cc1cnc(-n2cccc2)s1)N1CCc2ccccc2C1 20731804 QHYMAPCADIXTMX-UHFFFAOYSA-N 323.421 3.061 0 40 DGAB Cc1ccc(OCC(=O)Nc2noc(-c3cccc(C)c3)n2)cc1 21806514 SWDLFBCYQPGCEN-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB CSc1nsc(SCCC(=O)NC2CCCCC2)n1 22636569 CUZMCTCEZBZKTM-UHFFFAOYSA-N 317.505 3.191 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)NC[C@H]3CCCO3)sc2n1 23055189 UKQACDTVJVNZCD-GFCCVEGCSA-N 304.415 3.130 0 40 DGAB CC1CCC(NC(=O)Cc2csc(-c3ccccn3)n2)CC1 23294462 NWSPXAAZFDSYMJ-UHFFFAOYSA-N 315.442 3.443 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1cc(Cl)c[nH]1 24115842 XMLKYPVGNDELJG-UHFFFAOYSA-N 317.820 3.194 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCc2[nH]c3ccccc3c2C1 25463567 OJOHWWUCBXZVHB-UHFFFAOYSA-N 307.353 3.232 0 40 DGAB Cc1cccc(OCCNC(=O)NCc2sccc2C)c1 26176956 WWYQGPPXLCSQIA-UHFFFAOYSA-N 304.415 3.243 0 40 DGAB Cc1cccc2c1N[C@H](c1cnn(-c3ccccc3)c1)NC2=O 27578247 ZYNYDRISNIJMMP-KRWDZBQOSA-N 304.353 3.035 0 40 DGAB Nc1cc(C(=O)Nc2ccccc2F)ccc1Br 32211158 PWOXQAXGBLWGIO-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB Cc1ccccc1NC(=O)COc1cccc2c1CCC[C@@H]2O 32691435 PRIGPNMHXAQGAQ-KRWDZBQOSA-N 311.381 3.382 0 40 DGAB COC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(C(C)(C)C)cc2O1 32704082 SVCZLRCBXQJNCW-AWEZNQCLSA-N 319.279 3.327 0 40 DGAB CC(C)CC[C@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 32824538 CVKHJHWINIEJLU-ZDUSSCGKSA-N 316.405 3.005 0 40 DGAB COCC(=O)NC[C@@H]1CC2c3ccccc3C1c1ccccc12 32906890 QISQBCKXVFJINA-VUXUOOGWSA-N 307.393 3.046 0 40 DGAB Cc1noc(CCCC(=O)N[C@H](C)c2ccc(Cl)cc2)n1 32916106 AODAJCUPYQQCLL-SNVBAGLBSA-N 307.781 3.232 0 40 DGAB C[C@@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccncc1 35693743 OUIPJDDSDLCQMZ-SNVBAGLBSA-N 312.341 3.251 0 40 DGAB CC(C)(C)OC(=O)N1CCC(NCc2cccc(F)c2)CC1 35957512 MGEIOVHGRIXQGR-UHFFFAOYSA-N 308.397 3.315 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)cc1C 36635727 LHZWXCGMVBBFQL-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)c1 38666536 LAXJZAQAZLVJTA-CQSZACIVSA-N 301.415 3.175 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2cc(Cl)ccc2F)n1 40121532 HKYKOIMWJDITTI-SNVBAGLBSA-N 323.799 3.359 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2ccccc2OC)c1 40945978 PGLILWOKNMDELU-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)NCc2ccc(N(C)C)nc2)C1(C)C 46387278 QSFDTRIMHCFJMA-ZBFHGGJFSA-N 301.434 3.002 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2scnc2C)cc1 46763055 AIXCPQUCXDASRX-AWEZNQCLSA-N 302.399 3.437 0 40 DGAB C[C@H](Cc1ccco1)NS(=O)(=O)C1=Cc2ccccc2CC1 48251336 LNCMPBINPJLBND-CYBMUJFWSA-N 317.410 3.117 0 40 DGAB C[C@H](NC(=O)c1ccc(C(N)=S)cc1)c1ccccc1Cl 48551149 ZBSIFKJWDJKUBD-JTQLQIEISA-N 318.829 3.465 0 40 DGAB CCCc1nnc([C@H]2CCN(Cc3ccc(OC)cc3)C2)o1 49170267 OHOCCLAHNQHKJC-AWEZNQCLSA-N 301.390 3.020 0 40 DGAB biogenic,in-vitro O=C(CN1CCCC1)Nc1ccc(N2CCc3ccccc32)cc1 51126502 KMKVOJIKYCZRQR-UHFFFAOYSA-N 321.424 3.415 0 40 DGAB CN(CCc1nc2ccccc2c(=O)[nH]1)[C@H]1CCc2ccccc21 54173467 QKJKYNRNGVESIN-SFHVURJKSA-N 319.408 3.085 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cccc(C)c2C)cc1F 55675616 VYBZSMONEYDXMX-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB CCCCOCCCNC(=O)Nc1ccc(N(C)C)c(C)c1 58126276 RYVJBLJGXLXVRH-UHFFFAOYSA-N 307.438 3.389 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H]2C[C@@H]2c2ccccc2)cs1 58229425 PAKDOAWZFDSDKU-HUUCEWRRSA-N 301.415 3.149 0 40 DGAB CN(Cc1cccc(O)c1)C(=O)c1cnc(-c2ccccc2)nc1 58281283 GYVWGLZMDJLHMD-UHFFFAOYSA-N 319.364 3.121 0 40 DGAB Cc1ccsc1C(=O)NCc1cccnc1N1CCCCC1 58283267 BVFFWGBYFHVNEQ-UHFFFAOYSA-N 315.442 3.372 0 40 DGAB C[C@H](CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C1CC1 58391645 QRBXIJFRLAVZNN-OLZOCXBDSA-N 322.399 3.344 0 40 DGAB CN(Cc1ccc(F)c(F)c1)Cc1ccc2c(c1)OCCO2 61782971 YNIHVGMDQIYORD-UHFFFAOYSA-N 305.324 3.368 0 40 DGAB COC(=O)c1ccc2c(=O)[nH]c(-c3cc4ccccc4o3)nc2c1 63579889 VPMCYYNPKCQCHE-UHFFFAOYSA-N 320.304 3.123 0 40 DGAB COCc1nc(C(=O)OCC2=CC[C@H]3C[C@@H]2C3(C)C)cs1 65047420 WNGJLDRKYIGBHW-RYUDHWBXSA-N 307.415 3.439 0 40 DGAB CCCc1noc([C@H](C)S(=O)(=O)C/C=C/c2ccccc2)n1 65565407 GLGNPXQVPNMQRV-HJTPGIPUSA-N 320.414 3.211 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(F)c(F)c1F 69025943 WGHDOBJERXSLHJ-SECBINFHSA-N 302.296 3.137 0 40 DGAB CN(Cc1ccccn1)C(=O)c1ccc(-n2cccc2)c(F)c1 69570540 PJDHWHFAGJMTTM-UHFFFAOYSA-N 309.344 3.284 0 40 DGAB O=C1c2ccccc2N[C@H](c2ncc[nH]2)N1c1ccc(F)cc1 69629032 PSSNSSANDTVXPQ-INIZCTEOSA-N 308.316 3.320 0 40 DGAB Cc1cnn(CCNCc2csc(-c3ccccc3F)n2)c1 71872147 GZTMCYJJRABYFU-UHFFFAOYSA-N 316.405 3.244 0 40 DGAB Cc1cc([C@H](NC(=O)[C@H](C)n2cncn2)C(C)C)c(C)s1 71903617 LSGYOYFZOCPFGY-SMDDNHRTSA-N 306.435 3.031 0 40 DGAB CCN(C(=O)COC)[C@@H](c1ccc(Cl)cc1)c1ccccn1 71903637 OEDKVAKHFKOSRC-KRWDZBQOSA-N 318.804 3.319 0 40 DGAB C[C@@H](CC(=O)NCCCOCC1CCOCC1)c1ccccc1 71920667 DLBBMTYVSRXNCX-INIZCTEOSA-N 319.445 3.130 0 40 DGAB CC(C)Oc1cc(C(=O)NC[C@@H]2CCCO2)cc2occc12 72240189 GNQAIKKTPDDSNG-ZDUSSCGKSA-N 303.358 3.129 0 40 DGAB CCC1CCC(NC(=O)C(=O)Nc2ccccc2Cl)CC1 73742913 KLNIYCCVTHRMHZ-UHFFFAOYSA-N 308.809 3.364 0 40 DGAB CCCCCC(=O)N1C[C@H]2CN(Cc3ccccc3)C[C@@H]2C1 75107362 VAXSVYPLRGAEBD-QZTJIDSGSA-N 300.446 3.157 0 40 DGAB CO[C@@H](C)C(=O)N[C@@H](C)c1sc(-c2ccccc2F)nc1C 75138543 RZUFILMUPJGMKV-ONGXEEELSA-N 322.405 3.470 0 40 DGAB COc1ccccc1C[C@H](C)CC(=O)NCc1csc(C)n1 78655934 CESHDTUVROFCIT-LBPRGKRZSA-N 318.442 3.345 0 40 DGAB CSC[C@H](C)C(=O)N(Cc1ccncc1)Cc1cccnc1 79048822 IVXGFYRBQAYEED-AWEZNQCLSA-N 315.442 3.005 0 40 DGAB Cc1cc(C(=O)NCc2nccn2CCc2ccccc2)c(C)o1 81931153 HXQUMGSTXYCRBU-UHFFFAOYSA-N 323.396 3.266 0 40 DGAB O=C(CC(F)(F)F)Nc1cc(F)ccc1OC[C@H]1CCCO1 84344402 XHPWRTFUDKZREB-SNVBAGLBSA-N 321.270 3.274 0 40 DGAB C[C@H](CSc1ccccc1Br)CS(C)(=O)=O 84640639 ALRDEIVQYGRILE-SECBINFHSA-N 323.277 3.222 0 40 DGAB Cc1nccc(C(=O)N(CC(F)F)c2cccc(Cl)c2)n1 84807393 KWMWSANAVFPMQU-UHFFFAOYSA-N 311.719 3.350 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cccc(Cl)c1Cl)C1CC1 84822995 PFNPYVMTLPNVQZ-LLVKDONJSA-N 316.184 3.065 0 40 DGAB C[C@H](CN(C)c1ccccc1)NCc1ccc([S@](C)=O)cc1 85306743 PKOSIAQRQBUHRN-IVZQSRNASA-N 316.470 3.039 0 40 DGAB O=C(CC[C@H]1CCCO1)N[C@@H](Cc1ccccc1)C(F)(F)F 89830086 MSDFLBDYIVNOPP-KGLIPLIRSA-N 315.335 3.235 0 40 DGAB CCc1nc2c(s1)[C@@H](N[C@H](C)Cc1cc(C)[nH]n1)CCC2 90534096 XHLYUMYGRUSXFL-MFKMUULPSA-N 304.463 3.335 0 40 DGAB C[C@@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1ccsc1 90955552 KFBBGWFVBIADJS-DOMZBBRYSA-N 304.415 3.162 0 40 DGAB Cc1cc(N[C@H](C)c2cnn(C)c2)nc(-c2ccccc2O)n1 91426586 OUXMMLKSSCMIDE-GFCCVEGCSA-N 309.373 3.064 0 40 DGAB CCS[C@@H]1CC[C@@H](N(C)C(=O)NCCc2ccc(O)cc2)C1 95411230 RFSDPOKDFSIKDW-GDBMZVCRSA-N 322.474 3.250 0 40 DGAB CN1CCN(C(=O)c2coc(-c3ccccc3)n2)c2ccccc21 96413822 LVESHTGKTLAEMC-UHFFFAOYSA-N 319.364 3.438 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2cccc(C)c2)c(C)c1 96659148 ZLWQPMKHDQVUEB-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=c1[nH]cc(Br)c2cc(Br)ccc12 96854346 BJAFSAFEHZLMCB-UHFFFAOYSA-N 302.953 3.053 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)c2cccnc2C(F)(F)F)C1 97036912 RRYNJEXIVPQYHV-RKDXNWHRSA-N 304.337 3.114 0 40 DGAB COC(=O)N1CCC(N[C@@H]2CCCc3ccc(F)cc32)CC1 97230591 AKXLRVWGCXZRBI-MRXNPFEDSA-N 306.381 3.024 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 100394155 OVDMYHCDGWWYAV-NUZBWSBOSA-N 305.761 3.110 0 40 DGAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2c(Cl)cccc21 100485790 MYLRYJOMGMSKCZ-HNNXBMFYSA-N 314.772 3.064 0 40 DGAB COc1ccc(C2=C[C@H](c3ccc(F)cc3)n3ncnc3N2)cc1 100706032 SZXYNZXUNHZHKJ-QGZVFWFLSA-N 322.343 3.482 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3C[C@H]4CC[C@H]3C4)cc2)n1 103718902 FFTAPXVGTYPAQA-WMZOPIPTSA-N 309.413 3.173 0 40 DGAB Cc1cc(C(=O)N(Cc2ccc(F)cc2)C(C)(C)C)n(C)n1 123747393 QMQZKFJCBKSGAX-UHFFFAOYSA-N 303.381 3.309 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc21)c1cc2ccccc2s1 158540684 XKMXFUITMRKGTB-IBGZPJMESA-N 323.417 3.465 0 40 DGAB O=C(COc1ccccc1Cl)NCCOCc1ccccc1 177071098 DZTBEIXTIUSIEA-UHFFFAOYSA-N 319.788 3.052 0 40 DGAB O[C@@H](CSCc1nnc(-c2ccccc2)s1)C(F)(F)F 191160957 RMQMSEZVFFIOOV-VIFPVBQESA-N 320.361 3.362 0 40 DGAB Cc1nc(COc2ccc(Cl)cc2Cl)ncc1C(=O)O 217399783 CZXHYYXZPLJZGA-UHFFFAOYSA-N 313.140 3.369 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)NC(C)C 222945388 YKAUGHQUQFTFDD-KRWDZBQOSA-N 318.461 3.161 0 40 DGAB CCc1ccc(CC(=O)NCCSCc2ccco2)cc1 224524654 GCZKJMJQSNGDMS-UHFFFAOYSA-N 303.427 3.434 0 40 DGAB Cc1cccc(NC(=S)NCCCN2C[C@H](C)C[C@@H](C)C2)n1 225731790 UYGHSBNXHZUJRS-ZIAGYGMSSA-N 320.506 3.044 0 40 DGAB Cc1ccc(CSc2nnc(Cc3ccc(C)cc3)n2N)cc1 226299534 UUGPNKWKQLEHJU-UHFFFAOYSA-N 324.453 3.492 0 40 DGAB CC[C@@H]1CN(C(=O)[C@@H](N)CCSC)CC[C@@H]1c1ccccc1 236920726 YTYFMAYFDOFJNW-PVAVHDDUSA-N 320.502 3.109 0 40 DGAB O=C(NCc1ccc2c(c1)CCCO2)[C@@H]1C[C@H]2C=C[C@H]1C21CC1 247519886 XAJBXIKYUXSRPA-BRWVUGGUSA-N 309.409 3.230 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cn1ccnc1)[C@@H]1C[C@H]2CC[C@H]1C2 248253687 NKANWDGDUPTOFE-FPXQBCRKSA-N 323.440 3.486 0 40 DGAB c1cnc(N2CCC[C@H]2c2cccc(Oc3cccnc3)n2)nc1 257238852 HMUFKOPWIHGTBQ-INIZCTEOSA-N 319.368 3.400 0 40 DGAB COc1cc(CN2CCC[C@@H]2c2nc(C)cn2C)ccc1F 257243810 IIQXNDBYDOKEDP-OAHLLOKOSA-N 303.381 3.213 0 40 DGAB Cc1c[nH]c([C@H]2CN(Cc3ccc(Cl)cc3F)CCO2)n1 257322430 WFYDFAOICFCBNR-CQSZACIVSA-N 309.772 3.084 0 40 DGAB COc1cccc(-c2ccc3nc([C@H]4CCCN(C)C4)nn3c2)c1 306122963 AAWUFCFZHGHOHZ-INIZCTEOSA-N 322.412 3.214 0 40 DGAB CSc1ccccc1C(=O)N1CCC[C@@H](c2ccn(C)n2)C1 390831116 PRTALEJUZZIXLC-CYBMUJFWSA-N 315.442 3.162 0 40 DGAB CCc1ccc2occ(C(=O)Nc3ncc(CCO)s3)c2c1 521394417 AADMLUUOYUVAOU-UHFFFAOYSA-N 316.382 3.239 0 40 DGAB CCN(C(=O)[C@@H](C)C(=O)O)[C@H](C)c1cccc(C(F)(F)F)c1 574452943 NGWIKFZBXMPQOI-NXEZZACHSA-N 317.307 3.336 0 40 DGAB CC(C)[C@]1(C)C[C@@H]1N=c1[nH]n2cc(-c3cccnc3)nc2s1 578737243 QWYUDIVMZUCHGP-BBRMVZONSA-N 313.430 3.121 0 40 DGAB O=C(NC[C@H](O)c1ccc(-c2ccco2)cc1)c1ccsc1 585148036 MMVSUCZUFGGFOE-HNNXBMFYSA-N 313.378 3.472 0 40 DGAB CC(C)c1nn(-c2ccccc2)cc1C(=O)NCc1cccnc1 1538651167 GNZUBRJSOOCPDA-UHFFFAOYSA-N 320.396 3.321 0 40 DGAB O=S(=O)(NCc1ccc(C2CC2)nc1)c1ccccc1Cl 1565523528 ROUNVKYPLBSWQX-UHFFFAOYSA-N 322.817 3.091 0 40 DGAB O=C(NC(=S)N1CCCCC1)c1ccc(Cl)cc1Cl 67551 OKFNRZIGLKINLT-UHFFFAOYSA-N 317.241 3.494 0 40 DGAB CCOC(=O)CSc1ncnc2sc3c(c12)CC[C@H](C)C3 84842 DHSPGQAOZAFNHP-VIFPVBQESA-N 322.455 3.471 0 40 DGAB O=C(COC(=O)c1cccnc1)Nc1cccc2ccccc12 381706 DHSQRBDXIPHYSL-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB O=c1c2cc(Cl)ccc2nc(S)n1Cc1cccs1 425312 RPHSBTYPHYDZDU-UHFFFAOYSA-N 308.815 3.448 0 40 DGAB CCN(CC)CCOc1cc2c(nn1)Oc1ccccc1N2C 501757 SQQOKMXKQMFOGJ-UHFFFAOYSA-N 314.389 3.071 0 40 DGAB CSC(=S)NNc1ncc(C(F)(F)F)cc1Cl 1391578 LMSHDPBXGGVVLH-UHFFFAOYSA-N 301.746 3.318 0 40 DGAB C[C@H]1CCc2nc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)O)sc2C1 2760959 GEQXSECHWINMQT-AXFHLTTASA-N 322.430 3.097 0 40 DGAB O=C(Cc1ccccc1)N1CCN(c2cccc(Cl)c2)CC1 3100435 BBUWDMCOPQCZQH-UHFFFAOYSA-N 314.816 3.231 0 40 DGAB Cc1cccc(NC(=O)C(=O)NCCCCc2ccccc2)c1 3147959 GXBIBDWMAOFCCB-UHFFFAOYSA-N 310.397 3.073 0 40 DGAB c1cc2c(cc1-c1nnc(SC[C@@H]3CCCCO3)o1)OCO2 3542817 TVGXCSMABKQMII-NSHDSACASA-N 320.370 3.127 0 40 DGAB C[C@@]12CCC[C@@H]3C(=O)C(Cl)(Cl)C(=O)N(c4ccccc41)[C@@H]32 4114566 JPYUXOAHWUWNMR-ONENECBXSA-N 324.207 3.216 0 40 DGAB Cc1ccccc1C[C@]1(C(=O)O)CCCN1C(=O)OC(C)(C)C 4241032 RRSHJVJIWMYMJI-SFHVURJKSA-N 319.401 3.392 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@H]2C)cc1C 4667105 OAYJQXZCKCQEOY-RISCZKNCSA-N 311.447 3.169 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)c1c[nH]c2ccccc12 5090522 IEDAPZSCFRXLGG-STQMWFEESA-N 314.385 3.114 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)OCC(C)C 6206018 QDCFBDAYGIJHIB-UHFFFAOYSA-N 312.797 3.359 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(OC)cc2OC)C1=O 6657323 IVCFCYSJAPBKSS-MDWZMJQESA-N 307.371 3.150 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Nc2ccccc2)c1C 7222488 MLUYJQXAINAGDH-LBPRGKRZSA-N 300.358 3.101 0 40 DGAB Cc1ccccc1N1C[C@@H](C(=O)NC2CCC(C)CC2)CC1=O 7928162 KYFJUMVKNNQOPM-SIWZUTFBSA-N 314.429 3.043 0 40 DGAB Cc1ccsc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 8076028 JEGKEJQWKGZTHJ-UHFFFAOYSA-N 320.439 3.348 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1ccc(S(C)(=O)=O)cc1 8275237 PVKKFFQMGNPJFT-UHFFFAOYSA-N 323.801 3.304 0 40 DGAB CC(=O)c1ccc(NC(=O)CSc2nc(C)c(C)o2)cc1 8298838 OYWYWZUNVSIARC-UHFFFAOYSA-N 304.371 3.225 0 40 DGAB CCc1ccc(C(=O)OCC(=O)Nc2ccc(Cl)cn2)s1 8327310 QHUNLXJOCGFLSL-UHFFFAOYSA-N 324.789 3.154 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCCCCC2)c1 10111313 XDARBNYXEUHAJL-QGZVFWFLSA-N 318.461 3.145 0 40 DGAB CCCc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1 11870192 LZMZULZGUKKXEA-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB C[C@H](NC(=O)c1ncoc1-c1ccccc1F)c1ccccn1 12144652 JYOVIYVADBUWFY-NSHDSACASA-N 311.316 3.367 0 40 DGAB Cc1ccc(CC(=O)Nc2ccc(SCC(=O)O)cc2)cc1 12349209 UGDPQQXYEKUXRO-UHFFFAOYSA-N 315.394 3.353 0 40 DGAB Cc1ccn2cc(C(=O)N[C@H](C)c3nc4ccccc4[nH]3)nc2c1 12506954 OASLASBPUOUNLB-GFCCVEGCSA-N 319.368 3.010 0 40 DGAB COc1ccccc1CN(C)C(=O)c1cnn(-c2ccccc2)c1 12822168 MMFONACHFRNJTF-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB COc1cccc(C(=O)Nc2cnc(-c3ccccc3)nc2)c1 12924977 VSRWVLNBOJOUJD-UHFFFAOYSA-N 305.337 3.405 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)Cc2ccccc2F)cc1 13676288 HZJWAMAWQDFXMP-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB O=C1CN(C(=O)c2cccc(-n3cccc3)c2)c2ccccc2N1 14851878 PDHBCRIBZDQPOH-UHFFFAOYSA-N 317.348 3.076 0 40 DGAB COc1cccc(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)c1 16103872 BNSBAHXKLIRUCZ-UHFFFAOYSA-N 321.279 3.198 0 40 DGAB COC(=O)CNc1ncc(-c2ccc(OC(C)C)cc2)s1 16844842 XWGFLBSHFNIWQV-UHFFFAOYSA-N 306.387 3.182 0 40 DGAB CCc1ccc2oc(-c3cc(NC(N)=S)ccc3O)nc2c1 20154580 SHZBYVOEECOOLC-UHFFFAOYSA-N 313.382 3.418 0 40 DGAB Cc1sc2nc(SCc3cccnc3)n(C)c(=O)c2c1C 27771302 MXBGHAMAORINCE-UHFFFAOYSA-N 317.439 3.299 0 40 DGAB CCn1cc(CNC(=O)Nc2ccccc2C(F)(F)F)cn1 27918814 NGWDYKPPLUBQNM-UHFFFAOYSA-N 312.295 3.244 0 40 DGAB CN(CC(=O)N1CCc2ccccc2C1)[C@H]1CCc2ccccc21 29482854 NLSWYFSKIXTELU-FQEVSTJZSA-N 320.436 3.191 0 40 DGAB Nc1nc(Cl)cc(NCc2ccnc(OC3CCCC3)c2)n1 29625386 TVGREEHHJAAZTB-UHFFFAOYSA-N 319.796 3.041 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(C)ccc2C)cc1F 32585319 WMUAJCYHXOTJRM-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB CC(C)c1ccc(NC(=O)C2(n3cnnn3)CCCCC2)cc1 36358196 YQHOQPFZEZGTTL-UHFFFAOYSA-N 313.405 3.095 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2C)C1=O 36635588 BQHRIVCACKCNRZ-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB CN(C(=O)[C@@]12CCC(=O)N1c1ccccc1S2)c1ccccc1 40017163 DLZXMQRRVMHGEZ-SFHVURJKSA-N 324.405 3.278 0 40 DGAB COc1ccc(OC)c(NC(=O)NCCc2ccccc2F)c1 40097990 TXJZLKWAYVYBTP-UHFFFAOYSA-N 318.348 3.207 0 40 DGAB CC[C@@H]1CCc2nc(NC(=O)Cc3c(C)noc3C)sc2C1 40145871 HWGKOBGXLHVYTI-LLVKDONJSA-N 319.430 3.444 0 40 DGAB Cc1nc(CSCCC(=O)N[C@@H](C)c2ccccn2)cs1 40520886 SQJPPAFZZSHVKE-NSHDSACASA-N 321.471 3.347 0 40 DGAB Cc1cccc(C)c1NC(=O)C(=O)NCCC1CCCCC1 41853046 MQDIACHGIYGKPF-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1cccc(OCCn2ccnc2)c1 42707363 MBMGESBXIAXVMP-HNNXBMFYSA-N 311.385 3.257 0 40 DGAB C[C@H]1COCCN1C(=O)c1ccc2noc(-c3ccccc3)c2c1 46256656 MUCCRXXJXFPUKD-ZDUSSCGKSA-N 322.364 3.356 0 40 DGAB COC(=O)C[C@H](NC(=O)CCC1CCCC1)c1cccs1 48252978 LZWLTDKXNCVZQF-ZDUSSCGKSA-N 309.431 3.439 0 40 DGAB Cc1ccc(C(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)c(C)c1 48332025 WLDZXCFQZUTRHG-HZPDHXFCSA-N 302.462 3.401 0 40 DGAB Cc1occc1C(=O)Nc1ccc2c(ccn2CCN(C)C)c1 51434289 GNEQEEOXXYSXLN-UHFFFAOYSA-N 311.385 3.357 0 40 DGAB Cc1ccc(CCC(=O)N(Cc2cnn(C)c2)C(C)C)c(C)c1 56025974 XOZHSOCFWBOPCM-UHFFFAOYSA-N 313.445 3.407 0 40 DGAB COc1ccc(N[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)cc1 57406086 QOUJAPCCUKDKNR-ZIAGYGMSSA-N 310.397 3.473 0 40 DGAB Cc1ccc(C(=O)NCCCc2nc(CC(C)C)no2)cc1F 58158485 BOXIICUGFMCWGT-UHFFFAOYSA-N 319.380 3.078 0 40 DGAB CC1CCN(c2ccc(CNC(=O)C3CCCC3)cn2)CC1 61899873 NSOABWZTTBNDQQ-UHFFFAOYSA-N 301.434 3.124 0 40 DGAB Cc1cc(CNc2cc(C)nc3ncnn23)c2[nH]c(C)c(C)c2c1 65228389 JEFWHQZPOULVGX-UHFFFAOYSA-N 320.400 3.451 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CNc2c(N)cccc2F)CC1 67800743 IZGPPYLOISJMGO-UHFFFAOYSA-N 323.412 3.467 0 40 DGAB CCc1nnc(NC(=O)c2sc(CC(C)C)nc2C)s1 67957778 VUEHSKSPHVIKSN-UHFFFAOYSA-N 310.448 3.316 0 40 DGAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccc[nH]3)cc2)c1 68477534 IRPIVOAFKRFHQQ-UHFFFAOYSA-N 321.336 3.158 0 40 DGAB Cc1ccc(CN[C@@H](CN2CCN(C)CC2)c2ccccc2)cc1 69171381 FYUORFZAMITFQZ-NRFANRHFSA-N 323.484 3.073 0 40 DGAB CC[C@H](C)NC(=O)Nc1cccc(CN2CCCCC2=O)c1 69594195 SRAPZBVZCPTUPF-ZDUSSCGKSA-N 303.406 3.119 0 40 DGAB Cc1ccc(CC(=O)NCCc2nc3c(s2)CCCC3)s1 69596988 WQVHEAWAPXVMFS-UHFFFAOYSA-N 320.483 3.293 0 40 DGAB c1csc(-c2nc(CN3CCc4cncnc4C3)cs2)c1 69870952 UMQCXTWQPFDOKA-UHFFFAOYSA-N 314.439 3.220 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1cccc2cccnc12 71281820 APMNOZSKAJAPEC-ZDUSSCGKSA-N 322.368 3.429 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@H](N3[C@@H](C)CC[C@H]3C)C2)c(C)n1 71830795 WZSBNVDKAXHGAG-UXLLHSPISA-N 315.461 3.176 0 40 DGAB CC(C)n1cc2cc(NS(=O)(=O)c3cccs3)ccc2n1 71914659 CISBADDUQZJDFY-UHFFFAOYSA-N 321.427 3.480 0 40 DGAB CCN(C(=O)OC(C)(C)C)c1ncccc1[C@@H]1CCCN1C=O 72214785 LTKNMHQTNZQEDY-AWEZNQCLSA-N 319.405 3.136 0 40 DGAB Cc1nc(N2CCOCC2)ccc1[C@@H]1CCCCN1CC(C)C 72219647 QTHYILWEYSHACM-SFHVURJKSA-N 317.477 3.410 0 40 DGAB Nc1ccc(OC(F)(F)[C@H](F)[C@@H](O)C(F)(F)F)c(Cl)c1 72265913 YLIIXVNFWPELLJ-HTQZYQBOSA-N 323.620 3.155 0 40 DGAB Cc1noc(C)c1NC(=O)NCCCCCCCN1CCCC1 72293205 FJZFUUYHEJSRPR-UHFFFAOYSA-N 322.453 3.459 0 40 DGAB CCn1ncc2c1CCC[C@H]2NCc1ccc(OC)cc1OC 72298365 ZMYVXKNBZCXUCF-MRXNPFEDSA-N 315.417 3.087 0 40 DGAB Cn1c(CN2CCC[C@@H]2c2noc(C3CC3)n2)nc2ccccc21 72300029 VBIWVAOEKYGZPD-OAHLLOKOSA-N 323.400 3.171 0 40 DGAB O=C(c1ccccc1)N1CCN([C@H]2CCc3ccc(F)cc32)CC1 72313265 MNKAKYXOOROWDJ-IBGZPJMESA-N 324.399 3.271 0 40 DGAB c1ccc2oc(CN3CCC[C@@H]3c3noc(C4CC4)n3)nc2c1 76047442 KMXVNEPSMYMYST-CYBMUJFWSA-N 310.357 3.425 0 40 DGAB CC(C)OCC[C@@H]1CCCCN1C(=O)c1c[nH]c(C(C)C)n1 81377986 UXCFFSIYFPYMBB-AWEZNQCLSA-N 307.438 3.343 0 40 DGAB CC(=O)N1CC[C@H](N[C@@H](C)c2ccc(F)c(Cl)c2)[C@@H](C)C1 84714622 WQZQGTULKCMQNF-MMPTUQATSA-N 312.816 3.387 0 40 DGAB O=C(c1cccnc1Oc1cccnc1)N1C[C@@H]2CCC[C@H]2C1 89794084 VEONKVKFMGKGHS-KBPBESRZSA-N 309.369 3.141 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CCC1)N1CC[C@]2(CCOC2)C1 95410558 WRLRPLBQCWQTLF-MJGOQNOKSA-N 314.429 3.350 0 40 DGAB C[C@H](Cc1ccc(O)cc1)N(C)C(=O)Cc1c(F)cccc1F 95430458 JTXYGPBCOOFMEW-GFCCVEGCSA-N 319.351 3.303 0 40 DGAB Cn1cc(CCCOC(=O)c2scnc2C2CCCC2)cn1 95940218 FVKCRPGFNHMLRS-UHFFFAOYSA-N 319.430 3.324 0 40 DGAB c1ccc([C@H](NC[C@@H]2Cc3ccccc3O2)c2ncc[nH]2)cc1 95940771 WFCUGHPFOVJXRS-WMZOPIPTSA-N 305.381 3.092 0 40 DGAB CCOC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2 96106417 JNUSNTMFSDEBCM-KRWDZBQOSA-N 321.436 3.481 0 40 DGAB O=C(O)CN1CCC2(CCc3ccc(-c4ccncc4)cc32)CC1 96241722 PHCFXYYPDPGSMN-UHFFFAOYSA-N 322.408 3.113 0 40 DGAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)c2csnn2)o1 96433234 UDVJJENWDCGASR-MFKMUULPSA-N 305.403 3.307 0 40 DGAB C[C@H](Cc1noc(-c2ccoc2)n1)N(C)C(=O)OC(C)(C)C 96483025 CGOZQSHDOHNFGG-SNVBAGLBSA-N 307.350 3.128 0 40 DGAB Cc1cc(CNC(=O)N(C)Cc2ccncc2)ccc1Cl 96502903 KANJTUXQTJLNAR-UHFFFAOYSA-N 303.793 3.385 0 40 DGAB O[C@H](CNCc1ccc(OC(F)F)c(F)c1)c1cccs1 97021399 MOYDOARJWIKLOH-LLVKDONJSA-N 317.332 3.312 0 40 DGAB Cc1ncsc1COC(=O)c1cccnc1N1CCCCC1 97101000 JQRDMGJYQCHLGU-UHFFFAOYSA-N 317.414 3.194 0 40 DGAB COc1ccc(C2(CN[C@@H]3CCCSC3)CCOCC2)cc1 97371038 YKGDSQMTQVAPDE-MRXNPFEDSA-N 321.486 3.229 0 40 DGAB CC(C)(C)C(=O)NCc1cc(C(F)(F)F)ccc1C(=O)O 98175009 UOBLPZXMWMXPNN-UHFFFAOYSA-N 303.280 3.066 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc3ncccc23)s1 100427351 XSYLVTQRXJCUTP-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB Oc1cc(CCc2ccc(C(F)(F)F)cc2)nc2ccnn12 100734296 SBCMAPLVTKPKJS-UHFFFAOYSA-N 307.275 3.239 0 40 DGAB CCO[C@H]1C[C@@H](Nc2cccc(-c3ncn(C)n3)c2)C12CCC2 194991023 KKFFOOAHRASTIN-CVEARBPZSA-N 312.417 3.242 0 40 DGAB C[C@@H](C1CC1)N(C(=O)Nc1cnn(-c2ccccn2)c1)C1CC1 195531166 IRLCPENOMBZLTB-LBPRGKRZSA-N 311.389 3.062 0 40 DGAB O=C(NCC1CCN([C@@H]2CCSC2)CC1)Nc1ccccc1 225576267 JJFLAGGVKOQTJZ-MRXNPFEDSA-N 319.474 3.026 0 40 DGAB Cc1cccc(NC(=O)Cn2ccc(=O)c3ccccc32)c1C 225718211 MAQQBFWBEILHFR-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB COCC[C@H]1CCOC12CCN(Cc1ccccc1C)CC2 248168548 UFEJDKPVHPYXNQ-SFHVURJKSA-N 303.446 3.403 0 40 DGAB COc1ccc(CN2CCC[C@@H](c3nc(C)cn3C)C2)c(F)c1 257240615 HUIHIKTYEBGZAW-OAHLLOKOSA-N 317.408 3.256 0 40 DGAB Cc1nccc(CN2CCC(C)(c3ncc(Cl)s3)CC2)n1 257254070 KBLIDEYLTPIRGV-UHFFFAOYSA-N 322.865 3.449 0 40 DGAB Cc1ccc(NC(=O)c2ccc[nH]2)cc1C(=O)N1CCCCC1 279236195 SCTCEGYWUHKDMT-UHFFFAOYSA-N 311.385 3.202 0 40 DGAB c1ccc(CN2C[C@@]3(CCN(CC4CC4)C3)c3ncccc32)cc1 306138955 SLRUUDTYFCSXFC-NRFANRHFSA-N 319.452 3.455 0 40 DGAB O=C(c1cc(Cl)ccc1O)N1CCC[C@H](c2ccncc2)C1 521652169 ZXFWVXFBZKZGEL-ZDUSSCGKSA-N 316.788 3.460 0 40 DGAB O=C(c1cncc(Cl)c1)N1CCC[C@H](c2ccncc2)C1 582492180 QMCFWYAINYRIJX-ZDUSSCGKSA-N 301.777 3.150 0 40 DGAB COc1nc(C)cc(N[C@@H](C)c2cn(C(C)(C)C)nc2C)n1 680972629 KWWRNGOEKYUPQV-NSHDSACASA-N 303.410 3.227 0 40 DGAB Fc1cccc(CN2CCC(Oc3ncc(Cl)cn3)CC2)c1 1888856516 LHKZGOAULQDQLE-UHFFFAOYSA-N 321.783 3.313 0 40 DGAB CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)O 159352 RKLNYXBGSUTCSH-NSHDSACASA-N 304.173 3.223 0 40 DGAB COc1cc([C@H](O)C(Cl)(Cl)Cl)cc(OC)c1OC 162789 UHIXVEBOAYVCEH-JTQLQIEISA-N 315.580 3.116 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2CCCN2C(=O)OCC(C)C)c1 260504 CFKQRPZLXPUHAU-INIZCTEOSA-N 318.417 3.499 0 40 DGAB CCn1c(SCc2ccc(C)cc2)nnc1-c1cnccn1 531839 HZEMEMICLLNKJP-UHFFFAOYSA-N 311.414 3.356 0 40 DGAB CCOC(=O)c1csc(NC(=O)/C=C/c2cccs2)n1 4269336 XWXFPIYKFKBZFN-AATRIKPKSA-N 308.384 3.033 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)NCc1ccc(Cl)cc1 4601947 PKHRZXIAJVXUFA-ZDUSSCGKSA-N 324.852 3.289 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)OC(=O)c2c(C)noc2C)cc1C 5197141 ZJUKZIWPMIRYAQ-CYBMUJFWSA-N 301.342 3.336 0 40 DGAB O=S(=O)(Nc1ccc(F)c(F)c1F)c1ccc(F)c(F)c1 6321289 GDRVFXZHSKVPRB-UHFFFAOYSA-N 323.242 3.183 0 40 DGAB CCOC(=O)c1ccc(-n2[nH]c(-c3ccccc3)cc2=O)cc1 6492112 NCYMTOGLPPVPKI-UHFFFAOYSA-N 308.337 3.009 0 40 DGAB CCCN(CC1CC1)C(=O)CSc1nc2ccccc2n1C 6657526 MFQCMSPECLYZMF-UHFFFAOYSA-N 317.458 3.314 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1cc(C)ccc1OC 7667838 CWABPVUQWLZXKU-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB CC(C)CCNC(=O)Cn1c(C(F)(F)F)nc2ccccc21 8746367 HGNSYFYHIPQHIG-UHFFFAOYSA-N 313.323 3.217 0 40 DGAB CCc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1 9112272 IEGMPNVWFYXYRC-UHFFFAOYSA-N 308.381 3.394 0 40 DGAB c1ccc(N2CCn3c(SCc4cccnc4)nnc32)cc1 9651653 WQBOJHOVJFXCGR-UHFFFAOYSA-N 309.398 3.117 0 40 DGAB CN(C)c1ccc(CCCNC(=O)c2c(F)cccc2F)cc1 11693637 SMIHMIOLGIKKCS-UHFFFAOYSA-N 318.367 3.393 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)o1 12989114 KGEFZZVTWCTPPL-WDBKCZKBSA-N 307.390 3.137 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)Nc1cc(F)ccc1F 13069898 KDPBOWSZONUWDL-NSHDSACASA-N 320.339 3.263 0 40 DGAB COc1cccc(C(=O)N[C@H](C)c2nc(-c3ccccc3)no2)c1 13495466 QMPCEKVHGUYIJW-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB Cc1nc(SCC(=O)NC2(c3ccccc3)CC2)oc1C 13999959 YRCGRXXVRZFCME-UHFFFAOYSA-N 302.399 3.189 0 40 DGAB CC(=O)c1cc(F)ccc1OS(=O)(=O)c1cc(C)ccc1C 16094474 QACLHOBWJDJHGF-UHFFFAOYSA-N 322.357 3.413 0 40 DGAB Cc1nc2ccc(NC(=O)CC(C)(C)CC(=O)O)cc2s1 16478513 QGGWGVCXCBIVHR-UHFFFAOYSA-N 306.387 3.434 0 40 DGAB CCOc1cc(C)c(S(=O)(=O)n2cc(C)nc2CC)cc1C 16780338 UTVGIVHOKYYUKA-UHFFFAOYSA-N 322.430 3.006 0 40 DGAB C[C@@H]1CCCN(c2ccc(C(=O)NCCc3ccccc3)cn2)C1 20098094 PZXUNOBSZVXIMI-MRXNPFEDSA-N 323.440 3.290 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 20141171 SFFQJVQZZLOSIW-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccc(C(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1 21803743 RXJGLEDZBFQZCS-GFCCVEGCSA-N 310.353 3.073 0 40 DGAB CC[C@@H](C(=O)Nc1ccc(-n2ccnc2)nc1)c1ccccc1 24906521 ZGJRXZJSTLYTRV-MRXNPFEDSA-N 306.369 3.400 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccc(F)cc1 27395371 CICQVBAPOOLHGT-UHFFFAOYSA-N 314.360 3.147 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)c1cc(C(F)(F)F)n[nH]1 28234754 QYXCBQUMDSYXNJ-UHFFFAOYSA-N 307.634 3.473 0 40 DGAB COC(=O)c1ccc(NC(=O)CCOc2ccccc2)c(C)c1 29699809 NWDDISYAOHGXOD-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC(C)CC(=O)Nc1cccc(S(=O)(=O)C2CCCC2)c1 31984609 WEAZHEVEZFQHRA-UHFFFAOYSA-N 309.431 3.388 0 40 DGAB O=c1[nH]c2ccc(Nc3ncnc4c3oc3ccccc34)cc2[nH]1 32717162 JYRFTDOIGJUPNW-UHFFFAOYSA-N 317.308 3.289 0 40 DGAB CC(C)c1cc(C(=O)N2CCO[C@@H](C)C2)c(O)c(C(C)C)c1 32865736 JICPMJRRNVMCJB-ZDUSSCGKSA-N 305.418 3.500 0 40 DGAB NCCc1c[nH]c2c(Br)cc(Br)cc12 34515263 SCUJTZSMSJCIQA-UHFFFAOYSA-N 318.012 3.194 0 40 DGAB O=C(Cc1ccc(Cl)cc1)Nc1cc(-c2ccncc2)n[nH]1 35929572 QOJPCIKPAYPOMK-UHFFFAOYSA-N 312.760 3.306 0 40 DGAB Cc1csc(NC(=O)c2c3c(nc4onc(C)c24)CCC3)n1 36353889 OBSRXOKHPDSKBE-UHFFFAOYSA-N 314.370 3.037 0 40 DGAB CC(C)CO[C@@H](C)C(=O)Nc1ccc(OCC(F)(F)F)nc1 40107876 CVXDCFGSRZRFCM-JTQLQIEISA-N 320.311 3.022 0 40 DGAB CCOC(=O)c1ccc(Oc2nccc(C(F)(F)F)n2)cc1 42784471 AFUACGDZXFLNCE-UHFFFAOYSA-N 312.247 3.464 0 40 DGAB Cc1cc(N2CCN(c3cccc(Cl)c3)CC2)nc(C)n1 43531934 KTCBJWZWKKMDRN-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1F 44890298 QNLOVZWNQFNRND-DYVFJYSZSA-N 313.376 3.121 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccc(-n3ccnc3C)nc2)c1 47385353 BSMFJUUKBOIZLF-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CN1CCC(N(C)C(=O)CCCOc2ccccc2Cl)CC1 51468819 ACKLONZZJFAONF-UHFFFAOYSA-N 324.852 3.052 0 40 DGAB CC(C)NC(=O)N[C@H](C(=O)Nc1ccccc1)c1ccccc1 51561173 DWYKSBVYXDQYNZ-INIZCTEOSA-N 311.385 3.074 0 40 DGAB COC(=O)Nc1ccc(OCC(=O)N(C)C2CCCCC2)cc1 54247724 MDCUQXHMEOKCPC-UHFFFAOYSA-N 320.389 3.035 0 40 DGAB O=C(N/N=C/c1ccccc1C(=O)O)c1ccc2ccccc2c1 54883422 CTWABVFNANGYHO-UDWIEESQSA-N 318.332 3.302 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1cccc2c1OCCO2 58157148 FAHGPXNGLMUZFR-AWEZNQCLSA-N 311.381 3.209 0 40 DGAB CCc1nc2cc(NC(=O)c3ccc(C(=O)OC)cc3)ccc2o1 59885583 KBPCMEJTDMPVEI-UHFFFAOYSA-N 324.336 3.429 0 40 DGAB CCN(C(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)[C@@H](C)C(C)C 65416057 HTJVMBYNKJCZQY-VIFPVBQESA-N 319.327 3.292 0 40 DGAB COc1ncccc1NC(=O)[C@H]1C[C@H]1c1ccccc1Cl 65514761 IPXVMDLPKCSOCH-RYUDHWBXSA-N 302.761 3.486 0 40 DGAB O=C(COc1ccccc1)NCCc1coc(-c2ccccc2)n1 65621848 LKGHUTCLLSXNEY-UHFFFAOYSA-N 322.364 3.079 0 40 DGAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)[C@@H]1CCCO1 69533168 OLQQBLWUQZGRGG-QAPCUYQASA-N 310.397 3.350 0 40 DGAB Cn1cc([C@H]2CCCN2CCCc2nc3ccccc3o2)cn1 69668867 USKKQQUOZPWLFD-MRXNPFEDSA-N 310.401 3.331 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H](C)c2nc(C)no2)cc1Cl 69737621 UKLOWFAIOASROV-QMMMGPOBSA-N 324.768 3.313 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2nccc3ccccc23)c1 70011191 DADHJYMDCUNDTM-MRXNPFEDSA-N 320.396 3.045 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1 71824387 XOGYTUSPJCWEBV-ZWKOTPCHSA-N 308.381 3.065 0 40 DGAB CCOc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1F 71879572 GCLOJRUFVHGMSJ-UHFFFAOYSA-N 313.332 3.073 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1CCc1ccccc1Cl 71880545 KEPSGZVQVMIMLN-QZTJIDSGSA-N 320.864 3.358 0 40 DGAB COc1cccc(C(=O)Nc2cccc(C[S@](C)=O)c2C)c1 72286761 GXERRCQZBPQMIS-JOCHJYFZSA-N 317.410 3.134 0 40 DGAB Cc1cccc(CC(=O)OCC(=O)Nc2cc(C)ccc2C)c1 72331153 NORHOGKXWHMANE-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB C[C@@H](NC(=O)CCc1ccccn1)c1cccc(-n2cccn2)c1 73205220 JZHCGORHVDGKCP-OAHLLOKOSA-N 320.396 3.077 0 40 DGAB COc1ccc(CCN2CCC[C@H]2c2c(C)nn(C)c2C)cc1 75132304 RHBJAKDDMXRXCB-SFHVURJKSA-N 313.445 3.425 0 40 DGAB O=C(NC[C@](O)(c1cccs1)C1CC1)c1c(F)cccc1F 75155279 NRGNKEIEOKETPD-MRXNPFEDSA-N 323.364 3.054 0 40 DGAB Cc1ccc(C)c(CC(=O)NCc2nc(-c3ccccc3)no2)c1 76196901 DCIVLIFZCUMRQU-UHFFFAOYSA-N 321.380 3.212 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc(C)c(C)cc2C)[C@H](C)C1 78897489 SSAPYPBSSREOKG-SJLPKXTDSA-N 302.462 3.348 0 40 DGAB COCCn1cc(CCC(=O)Nc2cccnc2)c2ccccc21 79488096 RMNCUUDUZHRAOD-UHFFFAOYSA-N 323.396 3.254 0 40 DGAB OC1(Cn2nnc3cc(Cl)c(Cl)cc32)CCCCC1 89585262 KHQMDGKTFNJDLA-UHFFFAOYSA-N 300.189 3.433 0 40 DGAB O=C(OCC1CCN(Cc2ccco2)CC1)c1ccc(F)cc1 89797753 WEGKLOVVQDHRPN-UHFFFAOYSA-N 317.360 3.488 0 40 DGAB C[C@@H](NC(=O)C[C@@](C)(O)C1CC1)c1nc(C(C)(C)C)cs1 89913549 LUIVWTDUUKUHPI-QLJPJBMISA-N 310.463 3.169 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1cc(C)c(C)cc1C 89948809 ANJFSDCCNSLWOK-MJGOQNOKSA-N 302.462 3.348 0 40 DGAB COCc1nc(C)cc(N2CCC[C@H]2c2nc3ccccc3[nH]2)n1 95411529 WEPZPOYLOZVAHW-HNNXBMFYSA-N 323.400 3.149 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccc2C(F)(F)F)[C@H](C)CO1 95957822 QOMDPWTUDLHEQY-ZJUUUORDSA-N 302.296 3.347 0 40 DGAB C[C@H](N[C@H](C)CC(=O)N(C)C)c1ccc(-c2ccncc2)cc1 95968810 WXRKGLUVLDENIU-CABCVRRESA-N 311.429 3.266 0 40 DGAB Cc1noc(Cc2ccccc2NC(=O)c2cc(C)oc2C)n1 96097057 CQINJNVPTHOJJV-UHFFFAOYSA-N 311.341 3.431 0 40 DGAB CO[C@@H](CNC(=O)c1cccc(N(C)C)c1)c1ccc(C)s1 96104685 UTNTUFAAYREGRC-HNNXBMFYSA-N 318.442 3.240 0 40 DGAB CC(C)N1CCC2(CC1)CN(C(=O)C1CC1)Cc1ccccc12 96242418 UGVFKTGQUGPBJT-UHFFFAOYSA-N 312.457 3.181 0 40 DGAB CN(C(=O)Nc1cccnc1Cl)[C@@H](CCO)c1ccccc1 96441346 QOXWEYAJVSCEFW-AWEZNQCLSA-N 319.792 3.322 0 40 DGAB CNC(=O)CC1CCN(C(=O)Nc2cccc(C)c2Cl)CC1 96446023 RAAPHVHKQWIZKR-UHFFFAOYSA-N 323.824 3.028 0 40 DGAB COc1cc(C(C)=O)ccc1OC[C@H](O)c1ccc(F)cc1C 96484779 FCCJFCOWRXNKFO-INIZCTEOSA-N 318.344 3.458 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1CCC[C@H]1c1ccc(F)cc1 96492923 AIZAXBPQNOKNOE-HNNXBMFYSA-N 321.392 3.469 0 40 DGAB Cc1ccc([C@@H](CNc2nnc(C)s2)N2CCCC2)cc1 97002690 OQNBAKFEVFZDOU-OAHLLOKOSA-N 302.447 3.404 0 40 DGAB C[C@@H](C1CC1)n1nccc1NC(=O)CCSc1ccccn1 97013748 WXFHFJCRTFJQRB-LBPRGKRZSA-N 316.430 3.370 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102325536 PWLUYWICKNOGTH-VOAKCMCISA-N 313.850 3.443 0 40 DGAB CCc1cccc(CC)c1NC(=O)N(C)[C@@H](C)C[S@@](C)=O 153537661 IANCKRREXOMWSB-QKVFXAPYSA-N 310.463 3.042 0 40 DGAB Cc1cc(Cl)ccc1CN1CCC(N2CCCC2=O)CC1 185509540 FYMCFAQHWHNIKR-UHFFFAOYSA-N 306.837 3.235 0 40 DGAB O=C(Nc1ccc2c[nH]nc2c1)c1cccnc1C(F)(F)F 192683092 CUAKGEAMADXXHK-UHFFFAOYSA-N 306.247 3.229 0 40 DGAB C[C@@H](C(=O)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)C1CCOCC1 195546011 PZOKKCOIZUAGEK-VUKOWNLVSA-N 313.441 3.141 0 40 DGAB Cc1ccc(N2CC(O)=C(c3nc4ccccc4[nH]3)C2=O)cc1 217426422 TWGCLRPLRXEATN-UHFFFAOYSA-N 305.337 3.187 0 40 DGAB CCCCOCCOC(=O)c1snnc1-c1ccccc1 223832473 QVXQXRIXCPXKLK-UHFFFAOYSA-N 306.387 3.179 0 40 DGAB Cc1cc(C)c(C(=O)NCCCN2CCC[C@@H](C)C2)cc1C 225651097 XNYJXWRXISONGV-CQSZACIVSA-N 302.462 3.464 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c1 252581977 VEVKTKBOYYZOFX-IVMMDQJWSA-N 306.406 3.067 0 40 DGAB CCN1CCNC[C@H](Cc2ccc(-c3cccc(C)c3)cc2)C1=O 257303661 SIDGWLKIYFGFRF-FQEVSTJZSA-N 322.452 3.272 0 40 DGAB Cc1cncc([C@H]2CCCN2C(=O)c2ccc3c(c2)CCC3)n1 257332943 XZKQYZGMEOQIIC-GOSISDBHSA-N 307.397 3.251 0 40 DGAB O=C(c1cc2cccc(F)c2[nH]1)N1CCCC[C@H]1c1ccn[nH]1 257333214 YAQVEZBKXCELGI-HNNXBMFYSA-N 312.348 3.398 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1cnn(C[C@H]2CCCCO2)c1 390825830 HBPYATIEYCEFMD-OAGJVSPASA-N 311.385 3.104 0 40 DGAB FC(F)n1cc(Br)c(COCC(F)(F)F)n1 408717414 ZRYIKCRJHVBDSC-UHFFFAOYSA-N 309.032 3.120 0 40 DGAB COC1(c2nc(Cc3ccc4n[nH]cc4c3)no2)CCCCC1 585084381 UAAPPQJOKVTCMB-UHFFFAOYSA-N 312.373 3.343 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)c1cc2ccccc2[nH]1 585148425 GNLNCZQZTSZSJV-UHFFFAOYSA-N 320.352 3.054 0 40 DGAB CC(C)(C)OC(=O)N1CCCC[C@H]1c1ccc(C(N)=O)cc1 616616577 ISCDDHRMPWWHBJ-AWEZNQCLSA-N 304.390 3.248 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(C[C@@H]2CCCOC2)CC1 1207458454 WIRWHFCGTYDLDM-AWEZNQCLSA-N 309.837 3.050 0 40 DGAB c1cnc2nc3c(cc2c1)CN(Cc1cc(C2CC2)on1)CC3 2087023453 HSUQQTNXIQUJCK-UHFFFAOYSA-N 306.369 3.054 0 40 DGAB C[C@@H]1CCC[C@@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 239733 LJHBSECKCFHWQS-RHSMWYFYSA-N 304.409 3.162 0 40 DGAB COC(=O)c1ccc(OC(=O)/C=C/c2ccccc2)c(OC)c1 365619 RNJHFQLJOVNQQP-DHZHZOJOSA-N 312.321 3.101 0 40 DGAB Cc1ccc(C)c(N(Cc2ccccc2F)S(C)(=O)=O)c1 1016234 GLVLSSZNTVHYRE-UHFFFAOYSA-N 307.390 3.409 0 40 DGAB CC[C@H](C)C(=O)N1CCc2cc(-c3csc(N)n3)ccc21 1350404 UZSJYEOPMYYKRT-JTQLQIEISA-N 301.415 3.328 0 40 DGAB CCN(CC)CC[C@@]12C[C@H](C)OC1=Nc1ccccc1NC2=O 1609119 PYBOAHCWXQSJAD-UGSOOPFHSA-N 315.417 3.196 0 40 DGAB CCOCc1nnc(NC(=O)[C@H](CC)c2ccccc2)s1 2191233 DRVUVOBKTFHQMS-GFCCVEGCSA-N 305.403 3.207 0 40 DGAB COc1ccc(CSc2nnnn2-c2ccccc2)cc1F 2618001 AGVLEJMHKNGJPW-UHFFFAOYSA-N 316.361 3.102 0 40 DGAB CC[C@@H]1CCCCN1CC(C)(C)NS(=O)(=O)c1ccccc1 3179541 PMBKITOFUPVZRX-OAHLLOKOSA-N 324.490 3.008 0 40 DGAB CC(C)c1ccc(NC(=O)[C@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975734 MWZOIMWTYIARHK-AWEZNQCLSA-N 302.418 3.396 0 40 DGAB O=C(O)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)Nc1ccc2ccccc2c1 5007301 WVULZFFLGAIVPQ-WTTBNOFXSA-N 307.349 3.301 0 40 DGAB O=C(Nc1cc2c(cc1C(=O)O)OCO2)c1ccccc1Cl 6589162 SDDCEWKRCSSFBJ-UHFFFAOYSA-N 319.700 3.019 0 40 DGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@@H]1c1cccs1 7988288 QBSJEMDCGSHWCJ-OAHLLOKOSA-N 324.409 3.306 0 40 DGAB CCN(CC(=O)NC1CCCCC1)Cc1ccc(OC)c(F)c1 8214189 UESUUBWOMDUMRJ-UHFFFAOYSA-N 322.424 3.105 0 40 DGAB Cc1noc(C)c1CCC(=O)NCCc1c[nH]c2ccccc12 8849199 NXMLEFIDBXVWFE-UHFFFAOYSA-N 311.385 3.064 0 40 DGAB CC[C@H](C(=O)NCc1ccc(C(=O)OC)cc1)c1ccccc1 9384739 UCBCMOLEYPYVOD-KRWDZBQOSA-N 311.381 3.283 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)Cc2ccccc2F)c1 10110840 BIIGEAJZJKJPJQ-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB O=C(NCCCN1CCCC1)c1ccc(Cl)cc1Cl 10449999 JFMLNVLVHTWURB-UHFFFAOYSA-N 301.217 3.209 0 40 DGAB Cc1cc(C)c(C)c(C(=O)CSc2nnc(N)s2)c1C 11479892 WYUZANXFOHWTIY-UHFFFAOYSA-N 307.444 3.329 0 40 DGAB CCc1ccc(CCC(=O)N[C@@H]2CCCc3c2cnn3C)cc1 12973570 UVYAAWGFGKMBOH-QGZVFWFLSA-N 311.429 3.109 0 40 DGAB Cc1ccc([C@@H]2C[C@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131340 ZYCRFNBVBFCKCD-CVEARBPZSA-N 323.375 3.454 0 40 DGAB COc1ccc2cnn(-c3cccc(Cl)c3)c(=O)c2c1OC 14190373 QMDISCBMAXJOGQ-UHFFFAOYSA-N 316.744 3.056 0 40 DGAB OC[C@H]1CCCN(C(=S)Nc2ccc(C(F)(F)F)cc2)C1 17054555 UQKPPUXQTMYTRH-JTQLQIEISA-N 318.364 3.107 0 40 DGAB CCc1cc(C(=O)Nc2nc3c(s2)CCCCCC3)n(C)n1 19522178 RXZABANITWKGQG-UHFFFAOYSA-N 318.446 3.350 0 40 DGAB CN1CCCCC[C@@H]2[C@@H]1CCN2C(=O)c1cccc2ncccc12 19712143 QGRJICRPMQZYSB-RBUKOAKNSA-N 323.440 3.324 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](NC[C@H](C)c3ccccc3)C2=O)cc1 19889490 YWJWWPVGOBPONZ-YJBOKZPZSA-N 322.408 3.020 0 40 DGAB CN(C)/C=C(/c1ccc(Cl)nc1)S(=O)(=O)c1ccccc1 20387717 DRNLIERFHDNLAH-KAMYIIQDSA-N 322.817 3.069 0 40 DGAB O[C@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 22407043 ONEAJCQTKHDJCL-IBGZPJMESA-N 311.380 3.086 0 40 DGAB CCOc1ccc(OCCNC(=O)c2c(F)cccc2F)cc1 22480396 DIPMQIXSIYTANK-UHFFFAOYSA-N 321.323 3.172 0 40 DGAB O=C(c1ccc2c(c1)OCO2)n1cccc/c1=N\C1CCCCC1 22533428 FFORPJOAWWNSOD-CZIZESTLSA-N 324.380 3.139 0 40 DGAB Cc1ccc([C@H](NC(=O)c2cnn(C)c2)c2cccs2)cc1 22541513 ULLMJSQUFNQGIO-INIZCTEOSA-N 311.410 3.309 0 40 DGAB COc1cccc(NC(=O)CN(C)C(=O)CC2CCCCC2)c1 24589253 PXSLKCXVPOWNEX-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(Cn2ccnc2)c1 25183366 OPHRWADVQMWIPB-HNNXBMFYSA-N 321.380 3.337 0 40 DGAB Cc1nc(NC#N)nc(O)c1Oc1ccc(Cl)cc1Cl 26949531 JFRHURBTTRFKBQ-UHFFFAOYSA-N 311.128 3.483 0 40 DGAB OCCCN1Cc2cn(-c3ccccc3)nc2-c2ccccc21 27986989 PTDRAVTUPRYBRY-UHFFFAOYSA-N 305.381 3.242 0 40 DGAB CC[C@H](NC(=O)c1n[nH]cc1Br)c1ccc(C)cc1 28229239 RZDIMXCHHBETQI-LBPRGKRZSA-N 322.206 3.362 0 40 DGAB COc1cccc2c1N(C(=O)CCc1c(C)noc1C)CCC2 30575313 SVGGSWJIOVHIIN-UHFFFAOYSA-N 314.385 3.212 0 40 DGAB COC(=O)c1c(C=O)c2ccc(OC)cc2n1Cc1ccccc1 32917060 MADWTWOBSPZXBJ-UHFFFAOYSA-N 323.348 3.297 0 40 DGAB Cc1ccccc1[C@H]1[C@@H](C(=O)O)CCN1C(=O)OC(C)(C)C 35534060 QWSDKECXUGMZES-KBPBESRZSA-N 305.374 3.378 0 40 DGAB COc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cn1 40012165 ZNQXZYYOMGBSTK-BXUZGUMPSA-N 300.358 3.378 0 40 DGAB Cc1cc(CN2CCN(c3cc(C)nc4ccccc34)CC2)on1 40047097 RTRUVNWTYXQZMJ-UHFFFAOYSA-N 322.412 3.162 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2cccc(N3CCOC3=O)c2)n1 40511421 DGOBGMGEYFUGNQ-LLVKDONJSA-N 316.361 3.323 0 40 DGAB COC(=O)c1sc(NC(=O)c2ccc(C)cc2Cl)nc1C 41091628 XAUVVVYXRFIFRK-UHFFFAOYSA-N 324.789 3.452 0 40 DGAB CCCc1noc(C2CCN(C(=O)c3sccc3C)CC2)n1 41121867 RTPQERUYQYHNCW-UHFFFAOYSA-N 319.430 3.412 0 40 DGAB Cc1ccc(C)c(NC(=O)C(=O)NC[C@H](C)c2ccccc2)c1 42646327 WZAVFMMLPZIWKE-HNNXBMFYSA-N 310.397 3.162 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C 42646360 RLSTUCDNLVDYKR-UKRRQHHQSA-N 302.418 3.443 0 40 DGAB C[C@@H](NCc1cccc2c1OCCO2)c1ccc2c(c1)OCO2 42791112 PIXHTMUQHWBTGN-GFCCVEGCSA-N 313.353 3.037 0 40 DGAB COc1ccc([C@H]2CCCCCN2C(=O)c2cnns2)cc1 47623745 HAGLPMAGCWFFNF-CQSZACIVSA-N 317.414 3.304 0 40 DGAB Fc1ccc(OCCSc2nncn2Cc2ccco2)cc1 48325785 JXLXXJLYKARXJZ-UHFFFAOYSA-N 319.361 3.230 0 40 DGAB O=c1ccn(-c2ccccc2)nc1-c1nc(-c2cccs2)no1 49006333 SUGXYZDAUYADAC-UHFFFAOYSA-N 322.349 3.011 0 40 DGAB Cc1nn(C)c2c1[C@@H](c1ccc(F)c(F)c1)SCC(O)=N2 49544234 OGSNVDUBKJROIC-CYBMUJFWSA-N 309.341 3.431 0 40 DGAB COc1ccccc1C(=O)Nc1ccc2c(c1)C(C)(C)C(=O)N2C 57280500 ZWMQIGDVCSXPKI-UHFFFAOYSA-N 324.380 3.202 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCCc3cccs3)n[nH]2)cc1 57477267 SUPCQYGWGKSHAB-UHFFFAOYSA-N 311.410 3.419 0 40 DGAB CN(C)c1cccc(CNC(=O)Nc2ccc(F)c(F)c2F)c1 58356969 ZNBFFPCWHPLRTO-UHFFFAOYSA-N 323.318 3.492 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CC(=O)N(c3cccc(C)c3)C2)c1 59227287 FNESOOSOYXERMA-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB O=c1c2ccccc2cnn1Cc1ccc(OC(F)F)cc1 60452973 CLGDRHPMJRSXPL-UHFFFAOYSA-N 302.280 3.046 0 40 DGAB c1ccc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 65467215 ATYDNINEHFWTFB-CQSZACIVSA-N 308.385 3.157 0 40 DGAB COCCOc1ccc(NC(=O)N[C@@H](C)c2cccs2)cn1 65575098 CQMIARZVXHJWOX-NSHDSACASA-N 321.402 3.051 0 40 DGAB NC(=O)c1cccc(Oc2ccc(NC(=O)c3ccco3)cc2)c1 68148212 KLLMKCRJUSRQSJ-UHFFFAOYSA-N 322.320 3.423 0 40 DGAB CC(C)(C)OC(=O)NCc1cccc(NC(=O)C2CCC2)c1 69382703 QISHUCSWTITRNV-UHFFFAOYSA-N 304.390 3.450 0 40 DGAB CN1CCC[C@H]1[C@@H]1CCCN1C(=O)CCCc1ccccc1 69517965 WBIOZJPZACILNG-ROUUACIJSA-N 300.446 3.095 0 40 DGAB CO[C@@H](C)c1cccc(NC(=O)c2cccc3c2OCCO3)c1 69581275 ALMCPWXFZVOYLD-LBPRGKRZSA-N 313.353 3.418 0 40 DGAB c1ncn(C[C@@H]2CCCN2Cc2csc(C3CCCC3)n2)n1 69617611 UCOQSKQFSFSBEY-HNNXBMFYSA-N 317.462 3.057 0 40 DGAB O=C(Cn1ncnc1-c1ccccc1Cl)Nc1ccccc1 69629446 IRFDLUNWXSDKGN-UHFFFAOYSA-N 312.760 3.237 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2cc(-c3cccs3)on2)cn1 69656018 XOLKZOIGSCASKW-AWEZNQCLSA-N 314.414 3.474 0 40 DGAB Cc1cccc(-c2nnc([C@H](C)N3CC(n4cc(C)cn4)C3)o2)c1 69696850 RROMLRBGTAOCQK-AWEZNQCLSA-N 323.400 3.168 0 40 DGAB O=C(NCc1csc(C2CC2)n1)NCc1cc(F)ccc1F 69937008 ZVQGPHDRHIVYMA-UHFFFAOYSA-N 323.368 3.298 0 40 DGAB CCCCCC[C@@H](C)NC(=O)CCc1nc2ncccc2[nH]1 70009835 UEOBWEQPRVDTJC-CYBMUJFWSA-N 302.422 3.366 0 40 DGAB CC(C)(C)c1cnc(CN2CCCC[C@H]2Cn2cccn2)o1 71875265 QEEIAJVMXZYCNB-AWEZNQCLSA-N 302.422 3.223 0 40 DGAB Cc1csc(Nc2ccc(NC(=O)c3csnn3)cc2)n1 71896262 IHYSOMYHVRTBTI-UHFFFAOYSA-N 317.399 3.299 0 40 DGAB CC(C)CC[C@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 71916304 FQQMTTHKKCXPLR-ZDUSSCGKSA-N 319.449 3.396 0 40 DGAB NS(=O)(=O)c1ccc(-c2csc(-c3ccccc3)n2)cc1 72063528 JJVJHAIMXCAMDT-UHFFFAOYSA-N 316.407 3.125 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)[C@H]1CCc2ccccc21 72234179 DOLCCTXZEVZWMC-ROUUACIJSA-N 323.440 3.430 0 40 DGAB Cc1ccc([C@H](CC(=O)O)NC(=O)c2ncoc2C(C)C)cc1 76016938 FZBJQOBLCBFHJN-ZDUSSCGKSA-N 316.357 3.052 0 40 DGAB CCCCOc1ccc(NC(=O)NCC[C@@H](O)C2CC2)cc1 77108817 UKQKVHBBVBAGAR-MRXNPFEDSA-N 306.406 3.148 0 40 DGAB CC(C)C[C@H](CO)NC(=O)Nc1ccc2nc(C3CC3)oc2c1 79025588 WVLGSCGPCWPRTQ-CYBMUJFWSA-N 317.389 3.234 0 40 DGAB CC(C)(C)c1cc(C(=O)NCC(C)(C)[C@@H]2CCCCO2)no1 84241172 IXTRAMFXDBGLJZ-ZDUSSCGKSA-N 308.422 3.297 0 40 DGAB C[C@H]1CN(C(=O)CCc2cccnc2)[C@@H](c2ccccc2)CO1 84705576 AHTZXCGHKPAJDH-MAUKXSAKSA-N 310.397 3.003 0 40 DGAB CC1(C)CN(C(=O)C2(c3ccccc3)CCOCC2)C1(C)C 89919513 VSGXRCKEFULUIX-UHFFFAOYSA-N 301.430 3.382 0 40 DGAB COc1cccc(C(=O)Nc2cccc(NC(C)=O)c2C)c1F 90148804 LVABBBQZXWPFIZ-UHFFFAOYSA-N 316.332 3.353 0 40 DGAB Cc1occc1-c1nnc(Sc2ccc3nccnc3n2)o1 95395426 SIHUZXBSBVBKCW-UHFFFAOYSA-N 311.326 3.127 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 95412366 YMSLNYZLORRJCY-HUUCEWRRSA-N 318.417 3.066 0 40 DGAB COc1nc2ccccc2cc1CN1CCN(C)C[C@H]1C(C)C 96003695 OYCLMNAKFFEZQH-SFHVURJKSA-N 313.445 3.015 0 40 DGAB CN1C(=O)[C@H](c2ccccc2)CC12CCN(Cc1ccco1)CC2 96061322 HUKMJPKQQPAFJX-SFHVURJKSA-N 324.424 3.260 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)CSC1CCCC1)OC 96384495 SXUUSJABDGTDOQ-MRXNPFEDSA-N 323.458 3.175 0 40 DGAB C/C(=C\C(=O)NC[C@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 96401890 TYUKUIRDIJCZNX-CRLBDNQNSA-N 303.446 3.444 0 40 DGAB Cc1ccc(CNC(=O)N[C@H](C)Cc2ccc(C)s2)cn1 96415244 XNXOSWFAMUHNOE-GFCCVEGCSA-N 303.431 3.190 0 40 DGAB CC[C@@H](CO)NC(=O)Nc1ccc(COC2CCCC2)cc1 96435107 RXBWNUSDGUIJAU-AWEZNQCLSA-N 306.406 3.038 0 40 DGAB NC(=O)[C@@H](Nc1ccc(Br)c(F)c1)c1ccccc1 96437204 LKUVADDAGHLMOG-ZDUSSCGKSA-N 323.165 3.227 0 40 DGAB Clc1snnc1CN(CCc1ccccc1)[C@@H]1CCOC1 96460141 PBVLWLCDJCUUKM-CYBMUJFWSA-N 323.849 3.025 0 40 DGAB C[C@H](NCc1ccncc1Cl)c1ccc2c(c1)CCC(=O)N2 96491047 NZWFHYVKWRJJBO-NSHDSACASA-N 315.804 3.471 0 40 DGAB COc1cccc(-c2noc(C(F)(F)c3ccccn3)n2)c1 97032451 LVHCRWVHSSWYLY-UHFFFAOYSA-N 303.268 3.280 0 40 DGAB CO[C@H](C)c1noc(CN[C@@H](C)c2ccc(Cl)s2)n1 97111489 CHPPKYUFZPWVQF-JGVFFNPUSA-N 301.799 3.343 0 40 DGAB CCc1ccc(CN2[C@@H]3CC[C@@H]2Cc2c(O)nc(C)nc2C3)cc1 100214588 WBSHPIRITDNBBW-IAGOWNOFSA-N 323.440 3.185 0 40 DGAB CC(C)Cn1c(S)nc2ccc(Br)cc2c1=O 100458818 VFDIUJNDINPEOS-UHFFFAOYSA-N 313.220 3.104 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O)c1ccc(C)cc1 169294118 FPVOCSBUPCPYRH-JJTUDDRGSA-N 313.397 3.085 0 40 DGAB CCOC(=O)c1csc([C@@H]2CCCN2Cc2ccco2)n1 191834101 VKHDTRKFQSIYCG-ZDUSSCGKSA-N 306.387 3.250 0 40 DGAB Cc1ccc(C(=O)NCc2nccc(N3CCCCC3)n2)c(C)c1 224158436 QYHFGWRRHHJIQY-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB CCc1ccc(C[C@@H](Oc2ccc(OC)cc2)C(=O)O)cc1 225043514 GIWZMXYAVKPTTF-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB FCCCCCN1CCC(c2nc(-c3ccccn3)no2)CC1 225466093 LINKZGZISLMGEU-UHFFFAOYSA-N 318.396 3.451 0 40 DGAB COC[C@H](C)Oc1ccc(NC(=O)C(F)(F)F)cc1Cl 225589025 APRGPUQBTKIEPL-ZETCQYMHSA-N 311.687 3.255 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1ccc(Cl)cc1F 225633549 YFFKWMLFZOAUAJ-HFOBELJZSA-N 305.736 3.181 0 40 DGAB Cc1cc(C(=O)N2CC3(C[C@H](OCC4CC4)CS3)C2)c(C)o1 247815486 CNWCMTZKYZJXAX-AWEZNQCLSA-N 321.442 3.023 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC(OC[C@H]2CCOC2)CC1 252496599 PMRZOBMWZYNEMI-JENIJYKNSA-N 307.478 3.496 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257261360 LGZZXPXGRBTSHY-GOSISDBHSA-N 321.424 3.294 0 40 DGAB CC(C)CNC(=S)Nc1ccc(N2CCCC[C@H]2C)nc1 260726760 ZYDQGUXCXQISTA-CYBMUJFWSA-N 306.479 3.403 0 40 DGAB CCCOc1ccccc1/C=C1/SC(=O)N(CCOC)C1=O 408603550 RRFZORHIZUBYGC-SDNWHVSQSA-N 321.398 3.158 0 40 DGAB Cc1nc(C2(NC(=O)[C@@H]3C[C@H]3c3ccsc3)CCCC2)no1 528051538 MQQSYYMTMHZNAJ-QWHCGFSZSA-N 317.414 3.129 0 40 DGAB COC(CCOc1ccc(C(=O)c2ccccc2)cc1)OC 585118507 RLZRAXYTJXRTJD-UHFFFAOYSA-N 300.354 3.305 0 40 DGAB O=[S@@]12=Nc3ccc(I)cc3[C@@H]1CCC2 1503350611 FTXVOSQLXSOKQI-IINYFYTJSA-N 319.167 3.239 0 40 DGAB c1ccc2nc(N3CCC[C@@H](COc4ccncc4)C3)cnc2c1 1775972843 YIRKYEWZLMTMTA-OAHLLOKOSA-N 320.396 3.320 0 40 DGAB c1ccc2nc(N3CC(n4cnc5ccccc54)C3)cnc2c1 1775973856 HVHCAMPLBOQPNH-UHFFFAOYSA-N 301.353 3.041 0 40 DGAB Cc1cnn(CC2CN(c3nc4ccc(F)cc4s3)C2)c1 1889149368 VVHITVFXUZFEEP-UHFFFAOYSA-N 302.378 3.077 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1cccc(Br)c1 150256 MQAFHPVGRRCERR-UHFFFAOYSA-N 315.236 3.308 0 40 DGAB CCn1c(C)nc2cc(S(=O)(=O)Nc3ccccc3)ccc21 176860 ASWRLRZAIDNVDV-UHFFFAOYSA-N 315.398 3.165 0 40 DGAB CCN(CC)C(=O)CSc1nnc(-c2ccc(C)cc2)o1 179783 ZJJAZCCOBFAYHS-UHFFFAOYSA-N 305.403 3.006 0 40 DGAB O=C(COC(=O)c1ccccn1)Nc1cccc2ccccc12 479817 SBBAHRHOQZANPD-UHFFFAOYSA-N 306.321 3.030 0 40 DGAB CSc1nsc(Br)c1NC(=O)C(F)(F)F 1024220 DAALARZERWGOAC-UHFFFAOYSA-N 321.143 3.128 0 40 DGAB CC(C)C[C@H](OC(=O)c1ccco1)C(=O)NC1CCCCC1 1381005 IMFNENUTBZFPIW-HNNXBMFYSA-N 307.390 3.300 0 40 DGAB CC[C@H](C(=O)NCCc1cn2ccccc2n1)c1ccccc1 2960880 ZOBUYDKDFUWVMK-KRWDZBQOSA-N 307.397 3.187 0 40 DGAB O=C(COC(=O)c1ccc(Cl)cc1)NCC1CCCCC1 3234943 BVCQJTVVMPHWQM-UHFFFAOYSA-N 309.793 3.193 0 40 DGAB CN1C(=O)N(c2cccc3ccccc23)[C@H](n2cncn2)C1(C)C 4338645 BCDJIKXCCLHOFI-INIZCTEOSA-N 321.384 3.281 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCN([C@H]2C[C@H]3CC[C@@H]2C3)CC1 4723264 CSQIPDRJAUDPME-VBQJREDUSA-N 318.848 3.286 0 40 DGAB C[C@@H]1C[C@@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1 4814984 HQPITVSNTAFTRM-PBHICJAKSA-N 318.380 3.307 0 40 DGAB COc1cc2cc(C(=O)N3CCc4ccccc43)[nH]c2cc1OC 5351573 KYJOKXJCNUIQSY-UHFFFAOYSA-N 322.364 3.388 0 40 DGAB CCC[C@@H]1CCc2c(sc(NC(=O)C3CC3)c2C(N)=O)C1 5469603 KLMPKZWUMKFTLZ-SECBINFHSA-N 306.431 3.101 0 40 DGAB CCc1ccc(NC(=O)COc2cc(OC)cc(OC)c2)cc1 5497149 VYXFFUVJXKBOKT-UHFFFAOYSA-N 315.369 3.284 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@@H]2CCCC[C@H]2C)cc1 5512112 PCOLBCMHAOKZBO-CZUORRHYSA-N 303.402 3.353 0 40 DGAB Cc1ccc(CNC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 5927039 HNDZZMJZNWZZQG-UHFFFAOYSA-N 307.353 3.021 0 40 DGAB CC(C)C[C@@H](C(=O)Nc1cccnc1)N1Cc2ccccc2C1=O 6872599 IZLUONWONGIGLM-KRWDZBQOSA-N 323.396 3.091 0 40 DGAB Cc1ccc(C)c(-n2ccnc2S[C@@H](C)C(=O)N(C)C)c1 6933895 VQQPXHOKSFQLRS-ZDUSSCGKSA-N 303.431 3.058 0 40 DGAB CCCCNC(=O)CSc1nccn1-c1cccc(F)c1 6972881 FZGTXHWLQUCLDN-UHFFFAOYSA-N 307.394 3.020 0 40 DGAB CNC(=O)c1cn(Cc2ccccc2)nc1-c1ccc(C)cc1 7038903 OXBNCUMXTONTBX-UHFFFAOYSA-N 305.381 3.266 0 40 DGAB O=C1O[C@H](c2ccccc2)Cc2cc(C(=O)N3CCCC3)ccc21 8344937 YIYNADYWWLUPQU-SFHVURJKSA-N 321.376 3.377 0 40 DGAB Cn1ccc(NC(=O)c2ccc(OCc3ccccc3)cc2)n1 8389559 UMBYHKWIEKSOKA-UHFFFAOYSA-N 307.353 3.251 0 40 DGAB CC(=O)NC(=S)Nc1cccc(-c2nc3ccccc3o2)c1 9064185 YLMAHMBKYDSOGQ-UHFFFAOYSA-N 311.366 3.328 0 40 DGAB Cc1ccc(C)c(SCC(=O)Nc2cccc(C(N)=O)c2)c1 9738789 YFDVYZFIOLVQTH-UHFFFAOYSA-N 314.410 3.133 0 40 DGAB Cc1cc(C)cc(NC(=O)CN2CCc3sccc3C2)c1 10341036 OPFAVNSLAANQAK-UHFFFAOYSA-N 300.427 3.362 0 40 DGAB Cc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1 10366062 BIXVEFNDSBFVJS-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB O=C1C[C@H](C(=O)NC2CCCCCCC2)c2ccc(F)cc2N1 11412357 ZSKJRUOFVSTLRE-HNNXBMFYSA-N 318.392 3.481 0 40 DGAB COc1cccc(CNC(=O)N(C)Cc2cccc(F)c2)c1 13023461 AMXXHTUPPSJMEX-UHFFFAOYSA-N 302.349 3.176 0 40 DGAB Cc1ccc(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)o1 13173095 DKPKFWXQLUKGDV-LBPRGKRZSA-N 307.733 3.187 0 40 DGAB O=C(O)C[C@@H](NC(=O)Cc1ccccc1Cl)c1cccs1 13388126 QUYGEMJZTPFUSK-GFCCVEGCSA-N 323.801 3.276 0 40 DGAB CCOc1cc2c(cc1NC(=O)c1c(C)noc1C)O[C@H](C)C2 14021126 MQGMMQMRJWKUAO-SECBINFHSA-N 316.357 3.266 0 40 DGAB CC(C)Cn1nccc1NC(=O)COc1ccc(Cl)cc1 14095348 BJDUTKDMEPGILI-UHFFFAOYSA-N 307.781 3.210 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)n2c(C)nc3ccccc32)c1 14218380 AHWZEWYLYKSLKS-UHFFFAOYSA-N 300.383 3.199 0 40 DGAB CC(=O)Nc1ccc(O[C@@H](C)C(=O)NC2CCCCCC2)cc1 14242828 WDFNTNAGWXFEJV-ZDUSSCGKSA-N 318.417 3.251 0 40 DGAB CCc1ccc(CNC(=O)C(=O)Nc2ccc(C)cc2C)cc1 15014016 DENDWLKTLFGERO-UHFFFAOYSA-N 310.397 3.121 0 40 DGAB O=c1cc(-c2ccc(Br)cc2)nc2n1CCCCC2 16769083 JFFCSPDKTDWRHU-UHFFFAOYSA-N 319.202 3.399 0 40 DGAB CCCCC12CN3CC(C)(CN(C1)C3c1ccccc1C)C2=O 19320102 KOKQLEKFQCBARF-UHFFFAOYSA-N 312.457 3.390 0 40 DGAB biogenic Cc1nc(Nc2ccccc2C(=O)O)cc(N2CCCCC2)n1 20136005 MUPDNZVPNMVAGZ-UHFFFAOYSA-N 312.373 3.217 0 40 DGAB C[C@@H](Nc1ccc2c(c1)CCC(=O)N2)c1nc(C(C)(C)C)no1 27018308 LZLVWHNBRIYIGE-SNVBAGLBSA-N 314.389 3.425 0 40 DGAB CCc1cc(C(N)=O)c(NC(=O)[C@H]2C[C@@H]2c2ccccc2)s1 27920245 GBIPSPLBDOKUGS-OLZOCXBDSA-N 314.410 3.152 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1cccs1 28226217 AGZFVJNLXRZCSJ-UHFFFAOYSA-N 311.410 3.481 0 40 DGAB NC(=O)[C@H](Nc1cccc(OCC(F)(F)F)c1)c1ccccc1 30495486 SACRLDSXOUIBHF-CQSZACIVSA-N 324.302 3.266 0 40 DGAB CCn1c(=O)n2nc(-c3ccccc3)nc2c2c(C)c(C)sc21 32074165 TWNPGSOUITZKAY-UHFFFAOYSA-N 324.409 3.409 0 40 DGAB CN(C(=O)c1ccc(Br)c(N)c1)c1ccccc1 32200406 LTHLYYPUMFAGGX-UHFFFAOYSA-N 305.175 3.308 0 40 DGAB CC(C)C(=O)Nc1ccc(CNC(=O)c2ccsc2)cc1 32899083 ACMCORZDXYNLCP-UHFFFAOYSA-N 302.399 3.273 0 40 DGAB COc1ccccc1CNC(=O)CCn1ncc2cc(C)ccc21 40758813 NQOQPTQMWFJIBS-UHFFFAOYSA-N 323.396 3.060 0 40 DGAB O=C1CCCN1c1ccc(NC(=S)NC2CCCCC2)cc1 41466317 NMTVZYAXVAEKLM-UHFFFAOYSA-N 317.458 3.433 0 40 DGAB CC/C=C(\C)C(=O)N1CCN(c2ccc(C(C)=O)cc2F)CC1 42721886 LRKVHKDPAOSEEK-WLRTZDKTSA-N 318.392 3.033 0 40 DGAB O=C(C[C@@H]1CCCO1)N1CCC[C@H](c2nc3ccccc3o2)C1 47090579 AONIJDPTVIKJKY-KBPBESRZSA-N 314.385 3.103 0 40 DGAB CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)c2ccc(C)s2)C1 50735741 GUGYQPHEFOSCSE-JSGCOSHPSA-N 322.474 3.214 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N3CCO[C@H]4CCC[C@@H]43)cc2c1 56193924 WNYWMFCWRZPSTL-ROUUACIJSA-N 310.397 3.245 0 40 DGAB O=C1OCC[C@H]1NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12 58077419 RZLWCSRHOWDWRY-QFBILLFUSA-N 320.392 3.205 0 40 DGAB CCC[C@@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 58175397 HPUHOPPRCDXVDC-ZBFHGGJFSA-N 319.449 3.036 0 40 DGAB CS[C@@H](C)C(=O)NCc1ccc(Oc2ccccc2)nc1 58247542 KIBANHZUQNBCRQ-LBPRGKRZSA-N 302.399 3.242 0 40 DGAB O=C(NC[C@H]1CCCN(Cc2cccs2)C1)C1CCCC1 58343950 YRPUNRRKEFBWJA-CQSZACIVSA-N 306.475 3.267 0 40 DGAB C[C@@H]1CCCCN1CCNC(=O)C1(c2ccc(Cl)cc2)CC1 58953623 QGMLCYNXXQRGPR-CQSZACIVSA-N 320.864 3.362 0 40 DGAB C[C@@H](Oc1ccc(C(=O)Nc2cn[nH]c2)cn1)c1ccccc1 59402836 JPCKQXXSFJWMTP-GFCCVEGCSA-N 308.341 3.197 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@H](C)C(C)(C)c1ccccc1 69493762 RSPJVCIZAWFCOR-CQSZACIVSA-N 315.417 3.457 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)o1 69739745 HRBALTHOEOSMTH-LRDDRELGSA-N 301.390 3.097 0 40 DGAB CCc1nc(C)c(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)s1 69812756 OAQMHRATSQYZLC-GFCCVEGCSA-N 324.833 3.131 0 40 DGAB C[C@@H](CCc1ccccc1)CC(=O)N1CCC(CN(C)C)CC1 69841917 VSBSIHZODIHLTO-KRWDZBQOSA-N 316.489 3.446 0 40 DGAB c1ccc(SCc2nc(-c3ccc4c(c3)OCO4)no2)nc1 71184934 LFMRVLHWABYURY-UHFFFAOYSA-N 313.338 3.153 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@@H]1C(C)C 71830009 USGKJVANTKECSJ-OAHLLOKOSA-N 313.401 3.142 0 40 DGAB Cc1ccc(C(=O)NC[C@H](O)c2ccc(Cl)cc2Cl)o1 71898163 HLQATJPJNBAFSB-LBPRGKRZSA-N 314.168 3.358 0 40 DGAB CC1(C)[C@H]2OCCC[C@H]2[C@H]1NC(=O)CCc1ccc(F)cc1 72295562 QRTBIOKCIWXJHT-UAGQMJEPSA-N 305.393 3.078 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2cccc(Br)n2)CC1 72343879 JHQSTJPWYHSDHS-GFCCVEGCSA-N 311.223 3.035 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(Br)c(F)c1 76081775 CXONUAGDIDDBHI-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB O=C1N[C@@H](c2ccc(Oc3cnccn3)cc2)Nc2ccccc21 76082664 CAGDZSPURWFSKP-KRWDZBQOSA-N 318.336 3.123 0 40 DGAB Cc1ccn2ncc(C(=O)Nc3ccccc3OCC3CC3)c2n1 76932103 MLQZPWXRJBAWBN-UHFFFAOYSA-N 322.368 3.079 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cccc(CO)c1 78384862 APTFVHGXMCVYAU-JKSUJKDBSA-N 322.474 3.042 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c(C)c1 78403844 LKFZFHSHVRPGGU-CYBMUJFWSA-N 316.426 3.461 0 40 DGAB Oc1nnc(-c2ccccc2)cc1Cc1ccc2c(c1)OCO2 79495307 KENGIXNKNALLGG-UHFFFAOYSA-N 306.321 3.169 0 40 DGAB CC1(C)OC[C@H](COC(=O)c2csc(-c3ccccc3)n2)O1 83772793 CWYVEXJALKPJHV-LBPRGKRZSA-N 319.382 3.118 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NC(=O)c1cc(C)n(C2CC2)c1C 84079496 FMNXDOJFKMSJNN-LLVKDONJSA-N 314.433 3.281 0 40 DGAB COc1ccc(-c2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)cc1 95533940 VGXAKIHJKRPQQU-CQSZACIVSA-N 314.776 3.182 0 40 DGAB COC[C@@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C)o1 95968831 UHLFCRAYKJXXAV-TZMCWYRMSA-N 303.358 3.355 0 40 DGAB COC[C@@H]1CN(CC2CC2)Cc2cn(CC3CCCC3)nc21 96059996 QGRTZCZNLAJJIB-KRWDZBQOSA-N 303.450 3.029 0 40 DGAB CCOC[C@H]1COCCC12CCN(C(=O)C1=CCCCC1)CC2 96106435 MELLYQSOBVETJN-KRWDZBQOSA-N 321.461 3.169 0 40 DGAB CC(C)[C@@H](NC(=O)c1ccco1)c1nc(-c2ccccc2)no1 96277348 HKSORQDDGWNOHI-CQSZACIVSA-N 311.341 3.457 0 40 DGAB Cc1c(NC(=O)N[C@H]2CCC[C@H]2O)cccc1OC1CCCC1 96415932 BAMTZOBIZOYOIF-JKSUJKDBSA-N 318.417 3.351 0 40 DGAB Cc1c(COc2ccccc2)cccc1NC(=O)N(C)CCO 96446042 ADJGNTNOZBNHQO-UHFFFAOYSA-N 314.385 3.030 0 40 DGAB CCc1[nH]nc(NC(=O)c2nc(C(C)C)ncc2Cl)c1C 96462535 PZWIEVUDCIKIFM-UHFFFAOYSA-N 307.785 3.100 0 40 DGAB c1cc(-c2nc([C@@H]3CCOC3)no2)ccc1-c1nc(C2CC2)no1 96462670 AFVCAOCVHRSJRI-CYBMUJFWSA-N 324.340 3.168 0 40 DGAB C[C@@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccsc1 97018502 SZFHSYONVCSVIQ-LLVKDONJSA-N 303.383 3.208 0 40 DGAB Cc1nnc([C@H](C)N[C@H](C)c2ccc(-n3ccnc3C)cc2)o1 97081923 RBYQKXBFUZPKOS-NEPJUHHUSA-N 311.389 3.284 0 40 DGAB CNC(=O)CCCC(=O)N[C@@H](C)c1cc2cc(Cl)ccc2o1 97103213 AIBHIWGNJYSQIV-JTQLQIEISA-N 322.792 3.180 0 40 DGAB C[C@H](NC(=O)N1C[C@H]2[C@H]3CC[C@@H](O3)[C@H]2C1)c1cccc(Cl)c1 107065804 VUCHHHOHVMLBGM-BVEJOUGXSA-N 320.820 3.220 0 40 DGAB C[C@]1(O)CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)[C@@H]5C[C@]4(CO5)[C@H]3CC[C@@]21C 118936505 MCXPKMFJUSQFTA-BETYDJOJSA-N 320.473 3.130 0 40 DGAB O=C(Nc1ccccc1-c1cn2ccccc2n1)[C@@H]1CCCO1 206896915 NXLSUGWLXFYJKC-INIZCTEOSA-N 307.353 3.119 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCN1C[C@H](C)C[C@@H](C)C1 225039537 UPOYVRKAGGSLMG-CHWSQXEVSA-N 324.852 3.056 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@@H](c1ccsc1)N1CCC1 225593371 KSUCICNHDAYZDW-OZSKJFCKSA-N 312.438 3.325 0 40 DGAB C[C@H]1CN(c2c(Cl)cc(N)cc2Br)C[C@@H](C)O1 226316268 WAYIDSXJQGPRPI-OCAPTIKFSA-N 319.630 3.298 0 40 DGAB Cc1ccnc(NC(=O)C[C@@H](CC(=O)O)c2cccs2)c1 226750988 GDVUWQUUTQLPAM-NSHDSACASA-N 304.371 3.039 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)C[C@@H](N)c2ccccc2)C1 236893212 BBAAIUQOKDURTP-ARFHVFGLSA-N 306.475 3.209 0 40 DGAB Cc1nn(C)c(C)c1C(=O)NCc1ccc(-c2ccoc2)cc1 390829727 GDXWOHVQKQVIDX-UHFFFAOYSA-N 309.369 3.227 0 40 DGAB CO[C@@H]([C@@H](C)CCCO)[C@H](C)[C@H](COCc1ccccc1)OC 398526375 AANKAKSCOBLRDE-NBMJBFSESA-N 324.461 3.278 0 40 DGAB in-vitro COc1ccc(CNC(=S)c2cc(OC)ccc2OC)cc1 408572564 KCWZYOLIHFAYNG-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB CCc1cccc(NC(=O)CN[C@H](C)c2cnn(C(C)C)c2)c1 541645825 NCBBGODQSBYAON-CQSZACIVSA-N 314.433 3.316 0 40 DGAB Cc1nn(CCNC(=O)[C@@H]2CC=CCC2)c(C)c1-c1ccco1 575606928 PKUYDXOXOALCDS-OAHLLOKOSA-N 313.401 3.232 0 40 DGAB C[C@](O)(CNC(=O)c1cc2ccccc2o1)Cc1ccsc1 618256397 IPYRBGDFADQXJN-QGZVFWFLSA-N 315.394 3.218 0 40 DGAB O=Cc1nc(Br)c(-c2ccc(Cl)cc2F)[nH]1 1857794895 SDNKTSYXDKGYDJ-UHFFFAOYSA-N 303.518 3.444 0 40 DGAB Ic1ccc(O[C@@H]2CCCCO2)cc1 304657 VFXGXQLIEHCZKU-LLVKDONJSA-N 304.127 3.197 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)[C@H]1C[C@H]1c1ccccc1F 79114241 WFLBYXNTYPHQQN-KBPBESRZSA-N 323.371 3.464 0 40 DGAB C[C@H]1CCCC(C)(C)[C@@H]1NCCOC(=O)c1ccc(N)cc1 1711728 RQBCMASLXMHIPZ-XJKSGUPXSA-N 304.434 3.230 0 40 DGAB O=C(C1CCC(c2ccccc2)CC1)N1CCc2[nH]ncc2C1 79455641 GPJXCJGPRMWFGL-UHFFFAOYSA-N 309.413 3.268 0 40 DGAB CCCn1ccnc1S[C@H](C)c1nc2ccccc2c(=O)[nH]1 12539496 AEYXZEJXOFDLQJ-LLVKDONJSA-N 314.414 3.383 0 40 DGAB COc1cc2c(cc1OC)C(=O)[C@@H](N1CCCCC1)CCC2 4963786 AUMOZXJIOABWJQ-HNNXBMFYSA-N 303.402 3.077 0 40 DGAB O=[S@](C/C=C/C[S@@](=O)c1ccccc1)c1ccccc1 6575813 KXEPGWAOCGYHMU-RLFQVEEXSA-N 304.436 3.158 0 40 DGAB COc1ccc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)c(OC)c1 6901564 QDTLUOBTXSZESR-UHFFFAOYSA-N 316.357 3.104 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cccc3ccccc23)C1 3257028 NRYRMCVROZSBMY-HNNXBMFYSA-N 311.381 3.255 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NCc1occc1C 97051386 UKORJNLBBONTQP-UHFFFAOYSA-N 302.374 3.301 0 40 DGAB CCOCCCNCc1cc(Cl)c(OCC)c(OC)c1 8253139 JUZKPHFVJWXGLQ-UHFFFAOYSA-N 301.814 3.264 0 40 DGAB CC(=O)c1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 8367552 RIUVMKGVVSTCNK-UHFFFAOYSA-N 322.408 3.460 0 40 DGAB CCCCN(CCO)C(=O)c1ccc(F)c(C(F)(F)F)c1 43566834 FPJBIMQELUFFGM-UHFFFAOYSA-N 307.287 3.079 0 40 DGAB O=C(NCCc1ccc(Cl)cc1)c1noc2c1CCCC2 20457689 ROYMVYKTZXVNHO-UHFFFAOYSA-N 304.777 3.179 0 40 DGAB CN(C)CCn1ccc(N[C@@H]2CCSc3ccc(F)cc32)n1 95423932 SQWKXFDDFDWUJG-CQSZACIVSA-N 320.437 3.233 0 40 DGAB CCc1nnc2ccc(N[C@H](c3ccccc3)[C@@H]3CCCO3)nn12 172145301 BPJHGPSCLRYIQF-KBXCAEBGSA-N 323.400 3.019 0 40 DGAB CCn1ccs/c1=N\C(=O)c1cccc(Br)c1 408562490 QCTHFNGGEYAFMO-OWBHPGMISA-N 311.204 3.073 0 40 DGAB O=C(NCc1ccncc1)NCc1cccc(C(F)(F)F)c1 44892397 NKXKSIPGAVFZPA-UHFFFAOYSA-N 309.291 3.100 0 40 DGAB CC(C)(C)C(=O)NCc1ccc(-n2cnc3ccccc32)nc1 58292036 UACHGHULVZBEED-UHFFFAOYSA-N 308.385 3.083 0 40 DGAB CN(CC1CCCC1)C(=O)Nc1ccccc1N1CCCC1=O 58418485 OOZFUAIZGULNNZ-UHFFFAOYSA-N 315.417 3.467 0 40 DGAB COC(=O)c1cc(CN2C[C@@H](C)Oc3ccc(Cl)cc32)c[nH]1 97165670 SYFMAMSNHCSMAJ-SNVBAGLBSA-N 320.776 3.242 0 40 DGAB C[C@H]1CCCC[C@]12NC(=O)N(Cc1cccc(Cl)c1)C2=O 3374678 BDGQCEFIPMUGPQ-ZBEGNZNMSA-N 306.793 3.341 0 40 DGAB COc1ccc(OCC(=O)N[C@@H](c2cccs2)C2CC2)cc1 11282009 VDMAXFFYGJCOQY-QGZVFWFLSA-N 317.410 3.403 0 40 DGAB NC(=O)c1cccc(NC(=O)CCSc2ccc(F)cc2)c1 36767818 RCABKNTWONWZQI-UHFFFAOYSA-N 318.373 3.046 0 40 DGAB C[C@H]1CCc2cc(F)ccc2N1C(=S)NC[C@H]1CCCO1 2770933 HYDBKJDKAGNQGB-SMDDNHRTSA-N 308.422 3.020 0 40 DGAB OC1CCC(Nc2nc(-c3ccncc3)nc3ccccc23)CC1 25165005 VRMUSLUFNXNKMC-UHFFFAOYSA-N 320.396 3.407 0 40 DGAB Cc1ccc2cccc(Oc3nnnn3-c3ccccc3)c2n1 3449735 NHEVVTFETNWIMY-UHFFFAOYSA-N 303.325 3.311 0 40 DGAB O=C1C[C@H](Cc2ccc(Cl)cc2)C(=O)N1Cc1ccco1 4171943 ZVFRVZZOLCOWHQ-LBPRGKRZSA-N 303.745 3.051 0 40 DGAB Cc1nc(CN[C@@H](c2ccc3c(c2)OCCO3)C2CC2)cs1 65501448 IHXKZYOOOPKUCN-QGZVFWFLSA-N 316.426 3.464 0 40 DGAB O=C(Nc1cccnc1Cl)N(Cc1ccncc1)C1CC1 65772147 HZCGATYOGKENJQ-UHFFFAOYSA-N 302.765 3.327 0 40 DGAB COc1ccccc1C(=O)NC(=S)Nc1ccc(C)cc1C 4663018 JVAIKWKFTVRMDL-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB Cc1cccc(C[S@@](=O)CC(=O)Nc2cccc(F)c2)c1 66296993 VRAHXKSCWHGUQC-NRFANRHFSA-N 305.374 3.022 0 40 DGAB O=C(C[C@H](NCc1ccccc1)C(=O)O)c1ccc(Cl)cc1 6885201 YJBVCPGXVGEGJU-HNNXBMFYSA-N 317.772 3.156 0 40 DGAB Cn1cc(CNc2ncc(Br)c3ccccc23)cn1 84318541 LWSURAYVNIZHQY-UHFFFAOYSA-N 317.190 3.343 0 40 DGAB CC(C)N(Cc1cccc(Cl)c1)C(=O)NCCn1ccnc1 67002982 QQIYITBOBCGMAY-UHFFFAOYSA-N 320.824 3.157 0 40 DGAB O=C(NCCSc1ccccc1)c1cc(=O)[nH]c2ccccc12 15136586 LOSYONXLTVPKNV-UHFFFAOYSA-N 324.405 3.050 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1 27986935 USMVCGZWEZGAGN-APPDUMDISA-N 313.328 3.037 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2)c(C)c1Br 15443617 VBUCVTTXWYINIB-UHFFFAOYSA-N 309.163 3.120 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)/C=C/c1cn(Cc2ccccc2)nn1 7957252 ULYZGDSKYVHTRM-IHUUNXMQSA-N 324.428 3.035 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)[C@H]1COc2ccccc2C1 8114060 AJDQYYOTCMLRLL-SJLPKXTDSA-N 307.393 3.432 0 40 DGAB O=C(Cc1ccon1)NC1(c2cccc(Cl)c2)CCCC1 95422821 RNHDVVYTPDVFTO-UHFFFAOYSA-N 304.777 3.456 0 40 DGAB C[C@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8413083 OANCDSWGUBRWOG-IUCAKERBSA-N 315.200 3.046 0 40 DGAB COCCN(Cc1ccc(F)cc1Cl)C(=O)c1ccncc1 69532606 VFSAUMFTTYDSBK-UHFFFAOYSA-N 322.767 3.163 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C)CC1CCN(CCO)CC1 69952071 SAXDQNJHJFAMAY-AWEZNQCLSA-N 310.869 3.037 0 40 DGAB O=C(Cc1c(F)cccc1Cl)N1CCC[C@H](n2ccnc2)C1 69917439 AIJVJAMWNSWJCZ-LBPRGKRZSA-N 321.783 3.082 0 40 DGAB C[C@@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 95422558 SWWTVZSJSRQELA-TZMCWYRMSA-N 300.427 3.484 0 40 DGAB CS[C@H]1CC[C@@H](N(C)C(=O)c2cccnc2NC(C)C)C1 74120097 UNNCUHUDILLQKC-OLZOCXBDSA-N 307.463 3.258 0 40 DGAB CCOC(=O)c1ccc(COC(=O)c2cccc(OC)c2)cc1 409195334 HRGKGTAYWGEOAF-UHFFFAOYSA-N 314.337 3.229 0 40 DGAB C[C@H](Cc1cccs1)C(=O)N1CCC[C@@H](CCC(=O)O)C1 95992022 BQKLDWXFWPZGCL-OLZOCXBDSA-N 309.431 3.030 0 40 DGAB C[C@@H](C[C@@H](O)c1ccc(F)cc1)NCc1cn2ccccc2n1 95978202 KXYJLFLMABIJNV-SUMWQHHRSA-N 313.376 3.075 0 40 DGAB CC[C@@H](NC(=O)NC(C)(C)c1nccs1)c1ccncc1 74441288 YSCRWRVWEKSTLW-GFCCVEGCSA-N 304.419 3.224 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2ccnc3ccccc23)cc1 74715482 OXVDYBZRXNCUSH-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB O=C(c1cccc(-c2ccoc2)c1)N1CCN2CCCC[C@H]2C1 89717826 JLTYSMAQUSVPLU-SFHVURJKSA-N 310.397 3.257 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CCCC2=O)cc1 25689838 YEOLZKXEXYYGLC-CQSZACIVSA-N 324.380 3.219 0 40 DGAB C[C@@H](NC(=O)c1ccncc1)c1ccc(OC(F)(F)F)cc1 31953627 SEYBIAZGWJKHAH-SNVBAGLBSA-N 310.275 3.471 0 40 DGAB O=C(CCC(=O)N(CC(F)F)C1CC1)c1ccc(F)cc1F 78610883 DXTFSCMPPBJBKH-UHFFFAOYSA-N 317.282 3.184 0 40 DGAB CC(C)CCOc1ccc(NC(=O)c2ccn(C)c(=O)c2)cc1 73377449 LKSRPWZEMCFQQO-UHFFFAOYSA-N 314.385 3.063 0 40 DGAB CCc1noc(C2CCN(C(=O)c3ccc(C)s3)CC2)n1 46087633 OAUWWVQOGSUMQQ-UHFFFAOYSA-N 305.403 3.022 0 40 DGAB Cc1occc1SCC(=O)N[C@H]1CCOc2ccccc21 131552849 YKWROBSUFBCKSJ-ZDUSSCGKSA-N 303.383 3.320 0 40 DGAB O=C(NCCNc1ncc(C(F)(F)F)s1)c1cccs1 195579832 IPUABRILIWLIGF-UHFFFAOYSA-N 321.349 3.065 0 40 DGAB CCCN(C(=O)/C(C)=C/c1ccc(F)cc1)C1CCNCC1 195543744 XPRQVYLGGLXCAJ-BUHFOSPRSA-N 304.409 3.220 0 40 DGAB Cc1nnc(S[C@@H]2CCc3ccccc3NC2=O)n1C(C)C 225624698 MNMFHHUHERRPNM-CQSZACIVSA-N 316.430 3.213 0 40 DGAB CCCc1noc(C2CCN(C(=O)C3CCCCC3)CC2)n1 41121876 DENXANOWSQDDPB-UHFFFAOYSA-N 305.422 3.308 0 40 DGAB CC(C)(C)CNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 225810037 FKFFJCGCOUREED-UHFFFAOYSA-N 321.808 3.485 0 40 DGAB O=C(NC[C@@H]1CCCO1)N(Cc1ccsc1)Cc1ccco1 225552385 XHJXWRIASAFLKC-AWEZNQCLSA-N 320.414 3.232 0 40 DGAB COc1ccc(C(=O)N2CCC(C)CC2)cc1COC(C)C 224428657 JMJUSSFIZJGBIV-UHFFFAOYSA-N 305.418 3.492 0 40 DGAB Cc1ccc(CCNC(=O)Cc2c(C)[nH]c3ccc(F)cc23)o1 223240847 RSRCQZCKEYBAEV-UHFFFAOYSA-N 314.360 3.418 0 40 DGAB CCOC(=O)c1sc(NC(=O)OCc2ccccc2)nc1C 199817660 IRMBPNOMJOPLBW-UHFFFAOYSA-N 320.370 3.377 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)COc2ccccc2C)cc1 222761839 OJKUTUDFYVOSBE-INIZCTEOSA-N 313.397 3.266 0 40 DGAB COc1cccc(O[C@@H](Cc2cc(C)ccc2OC)C(=O)O)c1 225118198 OGQCAIWIVFOGGC-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](C)C(=O)N[C@H](C)CC 225130830 SXGOJHUVYFPSFF-CABCVRRESA-N 304.434 3.037 0 40 DGAB CCc1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1OC 223710324 DSLMKLMDOFRWHF-UHFFFAOYSA-N 319.426 3.078 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CC 223042413 YVCHIVXHNAIMLD-OAHLLOKOSA-N 304.434 3.038 0 40 DGAB Cc1cc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)c(C)o1 97373930 YAJHXSYILUESAK-CYBMUJFWSA-N 300.402 3.449 0 40 DGAB CCC(CC)CN1CC[C@@]2(CCCN(c3ncccn3)C2)C1 96216964 BBBPIQUIVHFUKG-SFHVURJKSA-N 302.466 3.205 0 40 DGAB Cc1c(C(=O)N[C@](C)(CO)C2CCCCC2)cnn1C(C)(C)C 97377628 QBWLCXYLMPUIEY-GOSISDBHSA-N 321.465 3.008 0 40 DGAB c1ccc(-c2noc(CN[C@H]3CCc4cccnc4CC3)n2)cc1 585136437 GDEUWJZVKFKJQK-INIZCTEOSA-N 320.396 3.169 0 40 DGAB COc1cc(CN2CC[C@H](c3nc(C)cc(C)n3)C2)ccc1F 257213277 CGWANIXBKDOJHL-HNNXBMFYSA-N 315.392 3.231 0 40 DGAB CC(C)n1cnc(C(=O)Nc2ccc(F)cc2NC2CC2)c1 390833863 OEIFVGPEXUBOTA-UHFFFAOYSA-N 302.353 3.430 0 40 DGAB Cc1ccccc1O[C@@H]1CCC[C@H](NCc2ccccc2)[C@H]1O 585289682 UXRKUOUCFHYEFA-DFQSSKMNSA-N 311.425 3.446 0 40 DGAB CCOC(=O)C[C@@H]1CCN(C(=O)OCc2ccccc2)C[C@@H]1C 953018925 IWWLBTIYDLXXED-HOCLYGCPSA-N 319.401 3.234 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1cccc(Br)c1Cl 1083806353 LVWQYHDNLUKZKA-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB Cc1cccc(-c2nc(C(C)C)no2)c1NC(=O)[C@H]1CCOC1 78666526 NJQFXPASCXJDCP-LBPRGKRZSA-N 315.373 3.143 0 40 DGAB C[C@H]1CN(C(=O)CNc2cc(Cl)ccc2Cl)C[C@@H](C)O1 57525187 FRYLZFCILYDXMQ-AOOOYVTPSA-N 317.216 3.041 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)N1Cc2cccnc2C1 555538566 WTKZJJQTULECKH-UHFFFAOYSA-N 306.287 3.185 0 40 DGAB CC1([C@H]2CCCN(C(=O)c3coc4ccccc34)C2)OCCO1 97372527 LXLBBNQUGXTOTE-ZDUSSCGKSA-N 315.369 3.048 0 40 DGAB CC(C)(C)OC(=O)NCc1ncc(Br)cc1F 146181354 RHOSJUOWHUOGRZ-UHFFFAOYSA-N 305.147 3.008 0 40 DGAB O=Cc1ccc(O[C@@H]2CCCCO2)c(O[C@H]2CCCCO2)c1 34113650 BNBFKXFYXJETEM-SJORKVTESA-N 306.358 3.310 0 40 DGAB in-vitro CC(C)[C@@H]1CS[C@H]2N1C(=O)[C@]2(OCc1ccccc1)C1CC1 5733239 PVAYOPQURUHFJD-CGTJXYLNSA-N 317.454 3.292 0 40 DGAB COc1ccc(CC(=O)Nc2ccccc2C(C)=O)cc1OC 14379044 YRSYIRFDBOMOIC-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB Cc1nonc1CN(C)Cc1ccc2cccc(Cl)c2n1 19659007 LYJBUSNNLWSTKU-UHFFFAOYSA-N 302.765 3.212 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](N)c1ccc(C(F)(F)F)cc1 19796207 BJJBEYFFWYLMAJ-NSHDSACASA-N 304.312 3.230 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(C)cn2)cc1OCC 869723 KIPJATQRXQRPQW-UHFFFAOYSA-N 300.358 3.440 0 40 DGAB CC(=O)c1ccc(NC(=S)N2CCn3cccc3[C@H]2C)cc1 3358003 BBNKAHKYPPRULB-GFCCVEGCSA-N 313.426 3.464 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)Oc1ccc(-c2nnco2)cc1 6261606 GSRWCQORRUNDMC-XCVCLJGOSA-N 310.284 3.495 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@H](C)OC(=O)c1cccs1 10029888 ZFTCKXBDZNLXEL-NSHDSACASA-N 317.366 3.135 0 40 DGAB Cc1nc(Nc2ccc(S(C)(=O)=O)cc2)cc(C(C)(C)C)n1 1888855898 VEPNWSYEAGGVRZ-UHFFFAOYSA-N 319.430 3.230 0 40 DGAB O=C(NCc1ccc(Cl)cc1Cl)c1cc2c(nn1)CCC2 1889133841 CGZKOSYCYZQBCE-UHFFFAOYSA-N 322.195 3.202 0 40 DGAB O=[S@@]12=Nc3ccc(I)cc3[C@H]1CCC2 1503350613 FTXVOSQLXSOKQI-QMTHXVAHSA-N 319.167 3.239 0 40 DGAB O=C(N[C@H](c1cccs1)C1CCOCC1)c1ccncc1F 1565523301 JWYFNPOMLMAGGD-HNNXBMFYSA-N 320.389 3.180 0 40 DGAB CC1(C)CC(Nc2c(Cl)cc(Cl)c[n+]2[O-])CC(C)(C)N1 36908 AJWZKWFTPHVDJC-UHFFFAOYSA-N 318.248 3.348 0 40 DGAB CCSc1ccc(C(=O)Nc2sccc2C(=O)NC)cc1 4585866 TZOCCTSAMYWVGE-UHFFFAOYSA-N 320.439 3.472 0 40 DGAB COc1ccc(CNC(=O)C[C@@H]2C=CCC2)cc1OC(F)F 31744020 USPZHVHLQJNVLV-LLVKDONJSA-N 311.328 3.269 0 40 DGAB Cc1ccc(O)c(C(=O)NCC2(N(C)C)CCCCCC2)c1 21200310 XXAWKJAENYQPGU-UHFFFAOYSA-N 304.434 3.085 0 40 DGAB CCOc1ccccc1NC(=O)N(CCO)Cc1ccsc1 52231311 JWOHPGSSGXQATP-UHFFFAOYSA-N 320.414 3.173 0 40 DGAB CSCCOC(=O)C1=C(C)N[C@]2(C)C[C@@H]1c1ccccc1O2 102472295 SEUGCOBEYIIFCJ-DYVFJYSZSA-N 319.426 3.052 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cccc3c2O[C@H](C)[C@@H]3C)cc1 32820174 FKBVCFZJBMYZCN-NWDGAFQWSA-N 324.380 3.183 0 40 DGAB C[C@H](CNC(=O)CCc1ccsc1)N(C)c1ccccc1 32931204 ALIRRJQOALGVKO-CQSZACIVSA-N 302.443 3.322 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)SC(F)(F)F)cc1 32913912 JHLKYXKAUZOXMI-ZETCQYMHSA-N 306.309 3.225 0 40 DGAB CN(CCc1nc2ccccc2c(=O)[nH]1)[C@@H]1CCc2ccccc21 54173466 QKJKYNRNGVESIN-GOSISDBHSA-N 319.408 3.085 0 40 DGAB CCn1c(C)cc(C(=O)NCc2nc(-c3ccccc3)no2)c1C 95349234 HRZGKVYHIBJOOW-UHFFFAOYSA-N 324.384 3.105 0 40 DGAB Cc1cccn2c(=O)c(C=O)c(SCc3ccccc3)nc12 81655 QVEGQLVPVVJGIN-UHFFFAOYSA-N 310.378 3.108 0 40 DGAB CC[C@@H](C)CN(C)C(=O)NCc1ccccc1-n1cccn1 95395156 USUZXCIEBBFJKL-CQSZACIVSA-N 300.406 3.060 0 40 DGAB CN(C)c1ccc(NC(=O)Nc2ccc3nsnc3c2)cc1 205175 OSWPVYKQJWUTES-UHFFFAOYSA-N 313.386 3.401 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C)cc2)cc1OC 3093778 GUOKZZWTMBGOHZ-UHFFFAOYSA-N 301.342 3.030 0 40 DGAB CCOc1ccc(CC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1 12540062 YBXPHOULPUITNP-CYBMUJFWSA-N 323.396 3.382 0 40 DGAB Cc1nc(CNC(=O)Cc2ccc(OCC(C)C)cc2)cs1 78609927 VLLJGXKIXCQZFD-UHFFFAOYSA-N 318.442 3.345 0 40 DGAB Cc1ccc(C)c(CSc2nnc3nc(O)cc(C)n23)c1 4249966 GKJYPLIUBZPEDI-UHFFFAOYSA-N 300.387 3.047 0 40 DGAB CSC1=N[C@H](C(Cl)(Cl)Cl)N=C(c2ccccc2)N1 6794388 CQHSLGJCWYDJJW-SECBINFHSA-N 322.648 3.452 0 40 DGAB NC(=O)Nc1cccc(C(=O)OCc2ccc(Cl)cc2)c1 7690946 YMRFVUDROQRLDT-UHFFFAOYSA-N 304.733 3.188 0 40 DGAB COc1ccc(C(=O)CCCCCCC(=O)O)c(OC)c1OC 43214199 FFQKJGFCMDANHA-UHFFFAOYSA-N 324.373 3.320 0 40 DGAB CCOc1ccccc1C(=O)Oc1ccc(C(=O)OC)cc1 3289148 OVYNQNPZOLQFBF-UHFFFAOYSA-N 300.310 3.091 0 40 DGAB Cc1nc(C(=O)Nc2ccccc2)nn1-c1ccc(Cl)cc1 1397429 GJOKKDNPZOSSSX-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)c2cccs2)c(C)c1 3228313 DITXCDJODFMNMO-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB CCCNC(=O)COC(=O)c1ccc(Oc2ccccc2)cc1 3291798 HIDCNFHERYIKHK-UHFFFAOYSA-N 313.353 3.162 0 40 DGAB O=C(COc1ccccc1O)Nc1ccc(Br)cc1 1515457 GWLMSFGQMFOORI-UHFFFAOYSA-N 322.158 3.172 0 40 DGAB CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cccc2ccccc12 58173495 BMZDSKVAXKBKJQ-OLZOCXBDSA-N 313.401 3.265 0 40 DGAB Cc1ccc(CNC(=O)N(C)Cc2nc3ccccc3[nH]2)cc1 27344424 QVQPRPIVFASIOP-UHFFFAOYSA-N 308.385 3.213 0 40 DGAB O=C(CC[S@](=O)Cc1ccccc1F)Nc1ccc(F)cc1 58099304 DEJQILQULFNSQO-JOCHJYFZSA-N 323.364 3.242 0 40 DGAB O=C(CCCNC(=O)c1ccco1)Nc1ccccc1Cl 12762169 DLYJCGAWVPPAGN-UHFFFAOYSA-N 306.749 3.082 0 40 DGAB CNC(=S)N(C)[C@@]1(c2ccccc2Cl)CCCCC1=O 3321091 OUQXFCNETWTVPD-OAHLLOKOSA-N 310.850 3.115 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N(Cc1ccsc1)C1CC1 58283076 AZRNNQYDWMJYAP-UHFFFAOYSA-N 324.405 3.394 0 40 DGAB O=C(NCCc1cccc(O)c1)c1ccccc1Br 58324280 QBESEZJAPXMWEW-UHFFFAOYSA-N 320.186 3.127 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CCCc1c[nH]c2ccccc12 45000462 FJONPYMXHCEKMS-UHFFFAOYSA-N 310.401 3.480 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccncc1 10592976 GJZKVOIZYDQSRQ-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB Cc1ccnc2c(N3C(=O)[C@@H]4CC=CC[C@@]4(C)C3=O)cccc12 26503872 YPLYKJQCTIPVQH-IFXJQAMLSA-N 306.365 3.389 0 40 DGAB CC[C@@H](C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1 20807163 AAFRUTSENCMPBY-NCOADZHNSA-N 321.461 3.049 0 40 DGAB O=C(CSCc1ccccc1)NC(=O)NC1CCCCC1 3531005 IUAMPPGUMZETGN-UHFFFAOYSA-N 306.431 3.078 0 40 DGAB COc1cccc(CNC(=O)COc2ccc(Cl)c(C)c2)c1 2628958 WYTWYSYVPCLCOT-UHFFFAOYSA-N 319.788 3.352 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)CCOc1ccc(Cl)cc1 46746030 AOLJSHMLSPUNHR-UHFFFAOYSA-N 322.792 3.372 0 40 DGAB Cc1ccccc1C(=O)NCc1ccccc1Cn1cccn1 12983646 IQCGTLOADYQITA-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB CSc1cccc(NC(=O)c2ccc(-n3cncn3)cc2)c1 12976073 MYYZNWXACOCMLI-UHFFFAOYSA-N 310.382 3.242 0 40 DGAB O=C(Nc1cccc(CN2CCCCC2=O)c1)NC1CCCC1 65281595 PFSYIFFJYLUHHU-UHFFFAOYSA-N 315.417 3.263 0 40 DGAB CSc1ncc(Cl)c(C(=O)N(C)Cc2ccccc2)n1 9341372 CKTFSVPUISANKO-UHFFFAOYSA-N 307.806 3.124 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)CCC(=O)NCc2ccccc2)[C@@H]1C 4616996 WUSXKSAGEZGWMQ-BFYDXBDKSA-N 316.445 3.024 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(F)c1 5574313 WIRSAELRJXDSLL-MRXNPFEDSA-N 323.323 3.497 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)Cc1ccccc1Cl 6992748 MJGQHXQPGBKZAM-UHFFFAOYSA-N 316.832 3.261 0 40 DGAB COc1cc(/C=C/C(=O)N[C@@H]2C[C@H]2c2ccccc2)cc(OC)c1 67512869 OYMJGOWTXJZDQN-WARJXXDVSA-N 323.392 3.389 0 40 DGAB CC(C)CCc1nc(Cn2c(=O)oc3cccnc32)cs1 96448180 WRNWKDOURRQQHC-UHFFFAOYSA-N 303.387 3.083 0 40 DGAB CCCc1cc(=O)[nH]c(SCC(=O)c2cc(C)ccc2C)n1 16050380 RWMQHQMGNUKULU-UHFFFAOYSA-N 316.426 3.314 0 40 DGAB C[C@@H]1C[C@H](Sc2nnc(-c3ccc(Cl)s3)o2)C(=O)O1 96422240 VMKWUUZYQDTRDQ-VDTYLAMSSA-N 316.791 3.248 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)[C@H](C)c3cc(C)oc3C)C2)c1 69489758 WYIYFXMUDKEFKS-ZBFHGGJFSA-N 315.417 3.369 0 40 DGAB O=C(CCN1CC[C@H](c2ccccc2)C1)NCCc1ccccc1 69922753 HGJGWKGPQDOIRH-FQEVSTJZSA-N 322.452 3.225 0 40 DGAB COC(=O)c1ccc(COc2cc(OC)ccc2C(C)=O)cc1 8777179 PMXCNJJODWZQPZ-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB O=C(NCCc1cccc(O)c1)NCc1ccccc1Cl 72087967 LVEULVKXTOVEPA-UHFFFAOYSA-N 304.777 3.088 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)NCc1cc2ccccc2[nH]1 97017700 QSQNCANRPDTXRY-UHFFFAOYSA-N 322.364 3.115 0 40 DGAB Cc1ccccc1[C@H](C)CC(=O)NC[C@@H]1CCN(C(C)C)C1 72286490 XMQMHSQUSCIWTA-SJORKVTESA-N 302.462 3.335 0 40 DGAB CCC[C@@H]1C[C@H](C(=O)N(Cc2nnc(C)o2)C(C)(C)C)CCO1 97235994 FOFLHLSPAHBJST-ZIAGYGMSSA-N 323.437 3.100 0 40 DGAB C[C@@H](CN[C@@H](C)c1ccc(-n2cnnn2)cc1)c1cccs1 95968221 RRHBUBIPJQHDSD-STQMWFEESA-N 313.430 3.178 0 40 DGAB O=C(CCc1cscn1)N1CC[C@@H](Cc2ccc(F)cc2)C1 76514331 HMFPCKGCWYVEBL-AWEZNQCLSA-N 318.417 3.306 0 40 DGAB CCOC(=O)c1cnc2c(OC)ccc(Cl)c2c1N(C)C 64874709 YIWSETFKXAGQJZ-UHFFFAOYSA-N 308.765 3.140 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](CC3)[C@H]2C(=O)N1Cc1ccccc1Cl 409377877 LWINRDVJXKUSAO-LWWSYDQCSA-N 301.773 3.037 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccsc2)N(C)C)sc1C 25329499 YFOUBEVRGWUGHH-ZDUSSCGKSA-N 308.472 3.459 0 40 DGAB O=C(/C=C/c1ccccc1)NCC1CCN(Cc2ccco2)CC1 38583794 VRIANCQRPCRVGM-CMDGGOBGSA-N 324.424 3.321 0 40 DGAB CC(=O)Nc1ccc(Oc2ccc3c(C)cc(=O)oc3c2)nc1 72325699 OGRSNERYIHHSKQ-UHFFFAOYSA-N 310.309 3.247 0 40 DGAB biogenic O=C(c1ccc(F)cc1Cl)N1CC[C@@H](Oc2ccncc2)C1 121036043 LOGJHJUXGICMHT-CYBMUJFWSA-N 320.751 3.168 0 40 DGAB CCn1cc(C(=O)N[C@H](C)c2ccc(-c3ccncc3)cc2)cn1 74295644 VTXKTFKFNWACMY-CQSZACIVSA-N 320.396 3.456 0 40 DGAB COc1ccc(/C=C/C(N)=O)cc1OCc1ccccc1Cl 216901197 PQPPZYOEUQWKDL-VQHVLOKHSA-N 317.772 3.426 0 40 DGAB Cc1ccc(C(=O)c2ccccc2CN2CCOCC2)c(C)c1 43211451 KIZRYRQCRJHHFQ-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB O=C(NCCc1cnc(-c2ccccc2)nc1)c1ccsc1 225590727 HFLKVSJMPLTDBA-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCc1cnn2ccccc12 75162684 RWMZURGGNMTGFN-CMDGGOBGSA-N 311.772 3.317 0 40 DGAB O=Cc1cccc(OCc2nc(-c3c(F)cccc3F)no2)c1 89262905 MVVDIKILHILJIE-UHFFFAOYSA-N 316.263 3.406 0 40 DGAB O=C(Nc1cc(Cl)cc(F)c1F)N[C@@H]1CC12CCOCC2 575603407 GKSBZKVQWLZXKB-LLVKDONJSA-N 316.735 3.309 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)Cc2ccccc2Cl)c(C)o1 85561417 AFFWODNEOKEMMW-INIZCTEOSA-N 321.804 3.332 0 40 DGAB Cc1cc(C)n(S(=O)(=O)c2cc(Cl)c(Cl)cc2C)n1 48044554 PXPJIKUALTUJFL-UHFFFAOYSA-N 319.213 3.352 0 40 DGAB NC(=O)N[C@H](Cc1nc(C2CCCCC2)no1)c1ccccc1 225386487 OKRPTBCFBZHLMG-CQSZACIVSA-N 314.389 3.069 0 40 DGAB CC[C@@H](c1ccc(F)cc1)[S@@](=O)c1nnc(C2CC2)n1C 83076740 AJUDMYDSJYJLDE-ZSEKCTLFSA-N 307.394 3.091 0 40 DGAB Cc1cc(-n2cnnc2)ccc1-c1cc2ccccc2oc1=O 226280775 IWGMFPXVRDNGGK-UHFFFAOYSA-N 303.321 3.349 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)(C)C 222746520 ORQGMFDHQRUPDZ-OAHLLOKOSA-N 318.461 3.427 0 40 DGAB CCN1CCN(c2cccc(NC3CCSCC3)c2)CC1 190968669 SJTCBNZMHJTMLW-UHFFFAOYSA-N 305.491 3.136 0 40 DGAB CCO[C@H]1COC2(CCN(C(=O)c3ccc(Cl)cc3)CC2)C1 96220590 QHVUWFWVJUGOCT-OAHLLOKOSA-N 323.820 3.140 0 40 DGAB CC(=O)N1CCCN(Cc2csc(C)n2)c2ccccc21 96452024 MFTMCBRZQYOFRT-UHFFFAOYSA-N 301.415 3.215 0 40 DGAB O=C1NCCCN1c1cccc(NCc2cccc3cn[nH]c23)c1 96482933 KSEMPWISYLSNFU-UHFFFAOYSA-N 321.384 3.095 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)Nc2cnn(CC(F)F)c2)c(C)c1 97377335 NJLNWSANIDCSIT-GFCCVEGCSA-N 322.359 3.204 0 40 DGAB COc1ccc(C2=N/C(=C/c3cccc(C)c3)C(=O)O2)cc1OC 97987495 XCTVWJKUOMQEGN-XNTDXEJSSA-N 323.348 3.357 0 40 DGAB CCSc1cc(Cl)ccc1C(=O)NCCn1ccnc1 97377761 VNKJDCSNNHVLPT-UHFFFAOYSA-N 309.822 3.079 0 40 DGAB O=C(c1cc2cccc(Cl)c2o1)N1CCO[C@H](C(F)F)C1 585079996 KYLLWDAGUFUTNR-NSHDSACASA-N 315.703 3.192 0 40 DGAB C[C@H](CC(=O)N1CCC(N2CCC2)CC1)Cc1cccc(F)c1 585127662 GRSXCDYJAXYLII-HNNXBMFYSA-N 318.436 3.091 0 40 DGAB O=C(Nc1cccc(-c2cnc3n2CCC3)c1)c1ccccn1 85471570 KEWZIYOCBGFPBL-UHFFFAOYSA-N 304.353 3.144 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)Cc3cccc(F)c3)CC[C@@]2(C)C1 257260656 LDUDJLRGKPJMOH-NUJGCVRESA-N 305.393 3.174 0 40 DGAB COc1cc2cc(C(=O)c3cccnc3OC)oc2cc1OC 253415840 GMGOBZXVXXVYGC-UHFFFAOYSA-N 313.309 3.085 0 40 DGAB COc1cccc(CC(=O)N2CC[C@@]3(C)C[C@H](OC)CC[C@@H]23)c1 257314580 UXPHDVAOCGFECY-LMMKCTJWSA-N 317.429 3.044 0 40 DGAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@H](C)C(F)(F)[C@@H](C)C1 634937660 PVGPXNKEGGTWMW-SLEUVZQESA-N 319.392 3.263 0 40 DGAB Brc1ccc(-c2ncn([C@H]3CCCCO3)n2)cc1 642882909 PICQHMDVYDMUET-GFCCVEGCSA-N 308.179 3.407 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)Nc1cccs1 390828985 VOWFMINOZAYQRX-GFCCVEGCSA-N 306.391 3.158 0 40 DGAB Cc1noc([C@@H](C)[S@@](=O)Cc2c(F)cccc2Cl)n1 71888567 OXZLUXWQDDLDFS-QOLSBQFWSA-N 302.758 3.180 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)OC(=O)c1ccncc1F 71921833 NMKQLMXSEKPJJU-LBPRGKRZSA-N 316.332 3.022 0 40 DGAB O=C(NCc1cnn(-c2ccccc2)c1)N1CCCCCCC1 40039117 YLBVSYOIISHOPV-UHFFFAOYSA-N 312.417 3.348 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)C(C)C)o2)cc1 5862618 ZFQNFTYTIGGVHD-LBPRGKRZSA-N 319.430 3.298 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2onc3c2C[C@H](C)CC3)c1 11915478 MNLXCLPFITZAHD-LLVKDONJSA-N 314.385 3.434 0 40 DGAB O=C(NCCN1CCc2ccccc21)C1(c2ccccc2F)CC1 12148425 DOCFOXGAMWSDLV-UHFFFAOYSA-N 324.399 3.036 0 40 DGAB COc1ccc2[nH]cc([C@H](O)CN3C[C@H](C)C[C@@H](C)C3)c2c1 13535299 CAPKXBVTQCWBKD-SNUQEOBHSA-N 302.418 3.188 0 40 DGAB CCOc1cc(/C=C2/N=C(c3ccccc3)OC2=O)ccc1O 1711894 VNAJXAITGYSVKP-GXDHUFHOSA-N 309.321 3.135 0 40 DGAB COCCn1cnc2c(Nc3ccc(Cl)cc3F)ncnc21 1888913855 YAIUCUDMKFGRBQ-UHFFFAOYSA-N 321.743 3.009 0 40 DGAB CC(=O)N1CCN=C1SCc1cccc(C(F)(F)F)c1 4078460 APXZUVPDTDYCQH-UHFFFAOYSA-N 302.321 3.157 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](C(=O)O)CS[C@@H]1c1ccccc1 33882794 QTGJLLUGEPDNFX-NWDGAFQWSA-N 309.387 3.122 0 40 DGAB Cc1noc(CNC(=O)CC(c2ccccc2)c2ccccc2)n1 44454114 AKOHKUDBILNFKY-UHFFFAOYSA-N 321.380 3.216 0 40 DGAB O=C(c1ccc(N2CCOCC2)cc1)C(Cl)(Cl)Cl 575358548 DIYIKOSNWZAERZ-UHFFFAOYSA-N 308.592 3.076 0 40 DGAB O=C(/C=C/c1ccsc1)NCC[C@H](CCO)c1ccsc1 575605546 BEZDNCWFOSMKEF-VSZDKKFSSA-N 321.467 3.495 0 40 DGAB CCc1ccc(N2C[C@@H](c3noc(-c4ccco4)n3)CC2=O)cc1 104567672 ZPLUTBTWLUUTCM-ZDUSSCGKSA-N 323.352 3.413 0 40 DGAB O=C(c1cccnc1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 40817694 PKQYQHNFAZUWOD-MRXNPFEDSA-N 306.369 3.325 0 40 DGAB O=C(Nc1nc2c(s1)CCCCC2)[C@H]1Cc2ccccc2O1 21902307 VPCAETIGKFCEEZ-CQSZACIVSA-N 314.410 3.354 0 40 DGAB Cc1ccoc1C(=O)Nc1nc2ccccc2nc1N1CCCC1 22284053 HFDGMKNHDCGDQN-UHFFFAOYSA-N 322.368 3.384 0 40 DGAB COc1cc(C(=O)N[C@@H]2CCCC[C@@H]2C)cc(OC)c1OC 711731 NNRJCJLPLJFNIV-WCQYABFASA-N 307.390 3.021 0 40 DGAB CC(C)NC(=O)[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814914 VBZAOZYYNITHDH-LBPRGKRZSA-N 301.173 3.011 0 40 DGAB Cc1ccc2nc3c(c(C(=O)N4CCO[C@H](C)C4)c2c1)CCCC3 54215234 DCTNNZYFRUKIGW-CQSZACIVSA-N 324.424 3.283 0 40 DGAB CCN(CC)S(=O)(=O)c1ccc(-c2csc(C)n2)s1 66155 HVRFPORBSGWKPR-UHFFFAOYSA-N 316.473 3.211 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2CCCN2C(=O)OCC(C)C)c1 260500 CFKQRPZLXPUHAU-MRXNPFEDSA-N 318.417 3.499 0 40 DGAB CCCNC(=O)c1cccc(CNCc2ccc(F)cc2)c1 47794304 BZVSWYRYRYHTCC-UHFFFAOYSA-N 300.377 3.255 0 40 DGAB CC(C)CCS(=O)(=O)N1CCC[C@H]1c1cccc(N(C)C)c1 78775464 DWASHHDIPXEUQC-KRWDZBQOSA-N 324.490 3.265 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)N1c1ccc(Cl)c(Cl)c1 4173962 KEOHVBVLJVUNLS-XXHBBNRNSA-N 308.164 3.305 0 40 DGAB CC(C)[C@H](Sc1cccc[n+]1[O-])C(=O)NC1CCCCCC1 42937177 CGYRGUYLJZYZGP-INIZCTEOSA-N 322.474 3.276 0 40 DGAB COc1ccc([C@H](CNc2ncnc3ccccc23)N(C)C)cc1 24340238 CGIUKUZBNGZGHD-SFHVURJKSA-N 322.412 3.353 0 40 DGAB CC(C)NC[C@@H](O)COc1ccccc1[C@H]1C[C@@H]2CC[C@H]1C2 4626622 NACJSVRGPPMZRS-HPFXQQBRSA-N 303.446 3.328 0 40 DGAB in-man COc1ccc(NC(=O)COc2cccc(C=O)c2)cc1Cl 7263367 UWGUJSPSCHBHJQ-UHFFFAOYSA-N 319.744 3.179 0 40 DGAB C[C@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@@H]2C[C@@H]1C2(C)C 106860682 OGHLSNKDEIODIH-DHMWGJHJSA-N 302.418 3.375 0 40 DGAB CCc1ccc([C@H]2Nc3ccccc3C(=O)N2CCOC)cc1 25049578 CDPMSPHNYPNTBM-SFHVURJKSA-N 310.397 3.462 0 40 DGAB Cc1nc(-c2ccc(CCNC(=O)[C@H]3CCCO3)s2)cs1 25398418 MLPKPIJBUHXRRX-CYBMUJFWSA-N 322.455 3.018 0 40 DGAB CN1CCN(C(=O)Nc2ccccc2F)[C@H](c2ccccc2)C1 57335827 HELSXBSXEPJTAY-KRWDZBQOSA-N 313.376 3.346 0 40 DGAB COc1ccc(NC(C)(C)c2nnnn2-c2ccc(C)cc2)cc1 35622477 CFKXARQNJYMLSJ-UHFFFAOYSA-N 323.400 3.327 0 40 DGAB CCc1ccc([C@H](C)NC(=O)c2cccnc2-n2cccn2)cc1 12794080 LTEXAMIWKCTMGS-AWEZNQCLSA-N 320.396 3.321 0 40 DGAB O=C(NCc1ccc(F)cc1C(F)(F)F)Nc1nncs1 44935342 LQERCHQLJZJDRU-UHFFFAOYSA-N 320.271 3.018 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2sccc2C)cc1 3384299 LHOUNLWMDSWRJD-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB CCCOc1ccc(S(=O)(=O)N2CCCC2)c2ccccc12 2182640 ZHNGMZHTYFTLQM-UHFFFAOYSA-N 319.426 3.413 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3c(c2)OCO3)cc1C 28248196 AQYGYCXTYMYJBB-UHFFFAOYSA-N 319.382 3.141 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(F)cc1 12883057 LNCYCEZFFXOUEU-UHFFFAOYSA-N 306.362 3.036 0 40 DGAB C[C@@H](CNCc1sccc1Br)Cn1ccnc1 97142143 BGBMSDMSOVIXDW-JTQLQIEISA-N 314.252 3.133 0 40 DGAB CN(C)Cc1ccc(-c2ccccc2CNC(=O)N2CCC2)cc1 45568003 GJMGZQGLVUSGAW-UHFFFAOYSA-N 323.440 3.331 0 40 DGAB CC(C)(C)NC(=O)COC(=O)C1(c2cccc(F)c2)CCCC1 2637366 QJBUFYLTNNNTGL-UHFFFAOYSA-N 321.392 3.095 0 40 DGAB COc1ccc(-n2ccnc2S[C@H]2CCCCC2=O)cc1 26048707 LBMSDTHDUZDAFA-HNNXBMFYSA-N 302.399 3.485 0 40 DGAB Cc1ncsc1C(=O)NCCOc1ccc(C(C)C)cc1 48496171 BAFUOSXYBBEVOE-UHFFFAOYSA-N 304.415 3.384 0 40 DGAB O=c1cc(Cc2ccccc2)[nH]c2c(-c3ccccc3)cnn12 2827326 VDAGUQOFIKGRSX-UHFFFAOYSA-N 301.349 3.280 0 40 DGAB O=c1cnc2ccccc2n1CCOc1cccc(Cl)c1 12979460 ZCBQCPILJOHJJZ-UHFFFAOYSA-N 300.745 3.129 0 40 DGAB CC[C@@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccc(C)cc1 12997153 KQJXFTISAYHCIQ-OAHLLOKOSA-N 324.380 3.207 0 40 DGAB O=C(O)c1c(C(=O)O)c(-c2ccc(Cl)cc2)n2c1CCC2 4041230 KSLYDOIZZNBGJV-UHFFFAOYSA-N 305.717 3.151 0 40 DGAB Cc1nccc(N2CCCCC[C@@H]2C[C@H](O)c2ccco2)n1 97227849 ULAIZHKTGFTGTL-CABCVRRESA-N 301.390 3.251 0 40 DGAB COC(=O)c1cccc(C(=O)NCc2ccccc2Cl)c1 9259692 DVYQBXDVIUSDLZ-UHFFFAOYSA-N 303.745 3.057 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)NC(=O)Oc2ccccc2)cc1C 408737936 QABRJOMSDYXCCP-CQSZACIVSA-N 312.369 3.419 0 40 DGAB Cc1cc(C)nc(NC(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1 97378731 FCKRYRKNYLOTST-WBMJQRKESA-N 317.364 3.081 0 40 DGAB O=C(NC1CCCCC1)c1ccc(OCC(F)(F)F)nc1 14205087 BVBDWIJIKNXWKV-UHFFFAOYSA-N 302.296 3.085 0 40 DGAB O=C(Nc1ccc2c(c1)CCCC2)[C@H]1CCCC[C@H]1C(=O)O 6668232 OHULBSIEGVKYJM-JKSUJKDBSA-N 301.386 3.395 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1F)[S@](=O)Cc1ccccc1 66300353 KDJPWKMHRWJVBG-QKVFXAPYSA-N 305.374 3.102 0 40 DGAB O=C1CCCN1c1ccc(CNc2ncnc3sccc23)cc1 9466003 UCPKBFSRNCRQAM-UHFFFAOYSA-N 324.409 3.430 0 40 DGAB O=C(c1c(F)cccc1F)N1CC[C@@H](Nc2ccccc2)C1 67298112 NWGLECIQCXPCMR-CYBMUJFWSA-N 302.324 3.291 0 40 DGAB COc1cc(/C=C/C(=O)N[C@H]2C[C@@H]2c2ccccc2)cc(OC)c1 67512868 OYMJGOWTXJZDQN-HKVOBHHDSA-N 323.392 3.389 0 40 DGAB C/C(=C\C(=O)NC[C@@H]1CCCO1)C12CC3CC(CC(C3)C1)C2 96401889 TYUKUIRDIJCZNX-XHCYVUSTSA-N 303.446 3.444 0 40 DGAB O=C(Nc1ccccc1F)[C@H]1C[C@@H]1c1ccc2c(c1)OCCO2 80345225 PUHLOODHUJZMOU-OLZOCXBDSA-N 313.328 3.339 0 40 DGAB COc1ccc(C(=O)OCc2nc3ccccc3s2)cn1 16699241 AOUYNYDVVJUVHK-UHFFFAOYSA-N 300.339 3.057 0 40 DGAB Cc1cc(OC(C)C)ccc1NC(=O)N(C)C[C@H]1CCCO1 69033922 IOUANVISXYFYAN-OAHLLOKOSA-N 306.406 3.425 0 40 DGAB c1ccc2c(N3CCN(c4nccs4)CC3)snc2c1 69328561 CKHWLSIHUORVRE-UHFFFAOYSA-N 302.428 3.079 0 40 DGAB COc1cc(C2(C(=O)N(C)Cc3ccccn3)CC2)ccc1C 69418967 FZVQIMPCOQXLPI-UHFFFAOYSA-N 310.397 3.089 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCO[C@H](c2ccccc2)C1 17178410 WVHZBEWAPHFTQI-INIZCTEOSA-N 303.308 3.179 0 40 DGAB c1coc(-c2nc(CN3CCC[C@@H]3Cn3cccn3)cs2)c1 69741924 LNHDUDKMQSHWBQ-CQSZACIVSA-N 314.414 3.264 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2cccc(Cl)c2)cc1 18008496 QCMPCSSYZYHOOJ-UHFFFAOYSA-N 317.772 3.399 0 40 DGAB Cc1ccc([C@@H](C)NCc2ccc(Cn3cncn3)cc2)cc1 95419773 SSWKPRPHSRMTRW-MRXNPFEDSA-N 306.413 3.486 0 40 DGAB Cc1cc(NC(=O)NCc2nc(C)c(C)s2)n(C(C)(C)C)n1 95403852 QBNHYMFUFFBBJS-UHFFFAOYSA-N 321.450 3.342 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)OCO2)c1ccc(F)c(F)c1 8723883 ZWLBSOFOVAIBFF-VIFPVBQESA-N 305.280 3.185 0 40 DGAB CCSc1nc(Nc2ccc(C)c(C)c2)nc(N(C)C)n1 27103823 YSBHFZVZTZYICJ-UHFFFAOYSA-N 303.435 3.410 0 40 DGAB CC(C)(C)Oc1c(F)cc(NC(=O)CCn2cccn2)cc1F 97083285 YDKSCKLSBZGZOO-UHFFFAOYSA-N 323.343 3.367 0 40 DGAB CC[C@H](Nc1cncc(-c2nncn2C)c1)c1ccc(OC)cc1 97038759 NHYGLLIMWVBDPG-KRWDZBQOSA-N 323.400 3.449 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H](COC)C2)C1 84811904 YLLOXZHXHUGJKY-RRFJBIMHSA-N 314.495 3.119 0 40 DGAB CC1CCN(CC(=O)N[C@@H](c2ccccc2)c2ccco2)CC1 98081182 BFDMKWGYQBDZDQ-IBGZPJMESA-N 312.413 3.217 0 40 DGAB COC(=O)c1ncccc1OCc1ncc(Cl)cc1Cl 95990747 FLBXDAZHCTZOQE-UHFFFAOYSA-N 313.140 3.149 0 40 DGAB COc1ccccc1N1CCC[C@@H](NC2CCSCC2)C1 89473865 WGWOBFXQKXYNKA-OAHLLOKOSA-N 306.475 3.149 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)N2CCC[C@H]3CCC[C@@H]32)cc1F 89493250 ITBZCEDODBNBOB-WJFWATLMSA-N 324.421 3.360 0 40 DGAB Cc1cc(NC(=O)N[C@H](C)Cc2c(C)noc2C)cnc1Cl 75110160 RVMIAFOTBWUCHS-SECBINFHSA-N 322.796 3.401 0 40 DGAB O=C(CC1=CCCCC1)Nc1cccn(CC(F)(F)F)c1=O 89767992 JUXPEAAVUQCRCQ-UHFFFAOYSA-N 314.307 3.240 0 40 DGAB COc1ccccc1[C@@H](NC(=O)c1ccco1)c1ccccn1 89848702 YSTPZNLWETVGAV-QGZVFWFLSA-N 308.337 3.203 0 40 DGAB COc1ccc([C@@H]2CC(=O)c3cc(OC)ccc3O2)c(OC)c1 57856 GLQDUOUZVYGIDH-SFHVURJKSA-N 314.337 3.419 0 40 DGAB biogenic O=C1N/C(=C\c2ccc(O)c(Cl)c2)C(=O)N1C1CCCCC1 409086097 QDKDERDSUGOOBD-LCYFTJDESA-N 320.776 3.271 0 40 DGAB CN(C)c1ncccc1C(=O)CCCCNC(=O)OC(C)(C)C 72212696 HUUASJCANHADHS-UHFFFAOYSA-N 321.421 3.025 0 40 DGAB Cc1ccsc1[C@H](O)CNC(=O)NCCCc1ccccc1 70635878 SKNWRQLIKDNXSS-OAHLLOKOSA-N 318.442 3.022 0 40 DGAB C=Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)c(C)c1 72222623 BIAXBUHXZRUDFE-UHFFFAOYSA-N 303.406 3.090 0 40 DGAB C[C@@H](NC[C@@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 35313699 FGYNLHYPJDPKLK-WBVHZDCISA-N 324.424 3.449 0 40 DGAB Cc1c(N)ccc2nn(-c3ccc(Br)cc3)nc12 73740114 XPLGZZKFKCIMQQ-UHFFFAOYSA-N 303.163 3.074 0 40 DGAB CCOc1c(OC)cc(CNc2ncccc2F)cc1OC 84485268 DCEDWIWMBNKFKU-UHFFFAOYSA-N 306.337 3.249 0 40 DGAB COCc1ccc(C(=O)NCCO[C@H]2CCCC[C@H]2C)cc1 40108289 UNZQZSPAQKEBAX-PBHICJAKSA-N 305.418 3.158 0 40 DGAB Cc1nc(Cc2ccccc2)ncc1C(=O)NC1CCCCC1 225792691 KSPQRKZXFSLDRP-UHFFFAOYSA-N 309.413 3.438 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)NCCN(C)c1ccccc1 222863219 UVEGADYNKMHXHR-SFHVURJKSA-N 312.413 3.097 0 40 DGAB CCOC(=O)c1csc([C@H]2CCCN2Cc2ccco2)n1 191834111 VKHDTRKFQSIYCG-CYBMUJFWSA-N 306.387 3.250 0 40 DGAB CCO[C@@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@@H](C)C1 225900585 IAECCHHDWWBDOR-PXAZEXFGSA-N 306.406 3.323 0 40 DGAB Cn1ccc2cc(C(=O)NCc3c(F)cccc3F)ccc21 96230901 WEXXNZMFLYYRLB-UHFFFAOYSA-N 300.308 3.387 0 40 DGAB COC(=O)[C@@H](C)SCc1ccc(-n2nc(C)cc2C)cc1 97213105 PLPUNINTVFBALD-CYBMUJFWSA-N 304.415 3.284 0 40 DGAB CC(C)C(=O)N1CCC2(CN(Cc3ccc(Cl)cc3)C2)C1 96070734 JBZNOSKYIDNDSL-UHFFFAOYSA-N 306.837 3.030 0 40 DGAB Cc1nnc(CSCc2ccc(C(=O)N3CCCC3)cc2)o1 96467763 QSMCOCAQXRRNMG-UHFFFAOYSA-N 317.414 3.047 0 40 DGAB Cc1cccc(OC2CCN(C(=O)c3cc(C)oc3C)CC2)n1 96119516 SEYHCMUTUQBGHK-UHFFFAOYSA-N 314.385 3.283 0 40 DGAB O=S(=O)(Nc1ccccn1)c1ccc(Cl)c2ncccc12 96408023 IPTQRAUIXZKJBK-UHFFFAOYSA-N 319.773 3.084 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCCCC1)C1CCNCC1 95426470 JAGNZNUIYGTGQU-UHFFFAOYSA-N 318.436 3.143 0 40 DGAB COc1ccccc1CN1CCOC[C@@H]1c1csc(C)n1 96218378 GDQNNMYLEUEYOT-OAHLLOKOSA-N 304.415 3.034 0 40 DGAB O=C(NCc1ccc(OCC(F)(F)F)cc1)[C@@H]1CCCS1 96435971 QXPMLJDNFFWUDA-LBPRGKRZSA-N 319.348 3.140 0 40 DGAB Cc1csc(Cl)c1NC(=O)[C@H](C)OC[C@H]1CCCO1 585114367 RSQZFDJBFACTRM-VHSXEESVSA-N 303.811 3.233 0 40 DGAB COc1ccc(C(=O)NC[C@H](OC)c2ccccc2C)cc1F 96105037 VNTLWGHCCYDFFU-KRWDZBQOSA-N 317.360 3.260 0 40 DGAB CCc1ccc(NC(=O)N2C[C@H]3CC[C@H]2[C@@H](CO)C3)cc1CC 585101485 YKBBJTWNEPBFDY-XCRHUMRWSA-N 316.445 3.436 0 40 DGAB O=C(CCc1cscn1)N[C@@H]1CCC[C@@H]1Oc1ccccc1 71902927 NKDCCHUHLWXSHU-CVEARBPZSA-N 316.426 3.192 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)Cc1ncc(C(C)(C)C)o1 58265097 RGXSRVGZCPCIAC-UHFFFAOYSA-N 316.401 3.375 0 40 DGAB O=C(Nc1ccccc1N1CCCC1=O)c1cc(Cl)ccn1 58120326 ALOJGFZJXAZBCX-UHFFFAOYSA-N 315.760 3.114 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1ccccc1Br 96433610 DIIFDPKDPUJNLJ-JTQLQIEISA-N 313.195 3.092 0 40 DGAB Cc1ncc([C@H](O)c2ccc(N(C)C)cc2)n1Cc1ccccc1 5504224 BZMRQEWXHXRKPM-HXUWFJFHSA-N 321.424 3.388 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[C@H]1O 5568893 WBSMBQPDMCRAFO-VXGBXAGGSA-N 302.296 3.130 0 40 DGAB Cc1cccc(C2(O)CCN(C[C@@H](O)c3ccccc3)CC2)c1 12292081 RHZPUERTRAVWLV-LJQANCHMSA-N 311.425 3.012 0 40 DGAB FC(F)(F)C(F)(F)COc1ccc(Br)cn1 15042807 MLANNPIADNEBIY-UHFFFAOYSA-N 306.028 3.421 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc(C(=O)O)c2C)c1C 18042101 ORGOLLSTZGLMBC-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB O=C1[C@@H]2[C@@H]3C=C[C@H]([C@@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)CCCC2 169680998 YXLHJRQJKUYGQR-WVXCVLBUSA-N 319.404 3.123 0 40 DGAB CCOC(=O)/C=C(\Nc1cc(OC)cc(OC)c1)C(F)(F)F 261828171 CGYYFSDYQGBONJ-WQLSENKSSA-N 319.279 3.125 0 40 DGAB Fc1ccc(-n2c(S)nnc2-c2ccc3c(c2)OCO3)cc1 9340575 OLUNKXGCLBZVIN-UHFFFAOYSA-N 315.329 3.091 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1ccc(Cl)cc1)c1ccsc1 13011123 HYLWEXNQXKVCHM-OAHLLOKOSA-N 322.861 3.363 0 40 DGAB Cc1cc(NC(=O)CCC(=O)c2cc(C)sc2C)n(C)n1 40512258 FYTXXROMZIFWGP-UHFFFAOYSA-N 305.403 3.008 0 40 DGAB COc1cccc(CC(=O)Nc2ccc3c(C)cc(C)nc3n2)c1 40818274 BBUCSZPXMIYELJ-UHFFFAOYSA-N 321.380 3.436 0 40 DGAB CC(C)NC(=O)Nc1cccc(C(=O)N(C)c2ccccc2)c1 32642563 CLOTYCYOAFYEHL-UHFFFAOYSA-N 311.385 3.493 0 40 DGAB O=C(NCCc1ccccc1)c1cc(-c2cccc(F)c2)no1 32833022 MSMDYNSRUMQEAT-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)N[C@H]1CCOc2ccccc21 32862312 SNSARVKLHSDMLD-ZDUSSCGKSA-N 312.325 3.061 0 40 DGAB CCc1nnc(NC(=O)c2cc(-c3ccc(C)cc3)on2)s1 21785979 GPYAQWLEGBAGJA-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB CCc1ccc2c(CC(=O)Nc3cccc(C(N)=O)c3)coc2c1 32988718 FUIRSAVZKPOVJQ-UHFFFAOYSA-N 322.364 3.275 0 40 DGAB COc1ccc(Cn2c([C@@H](C)O)nc3ccccc32)cc1OC 487971 QSXJTYMXIOKRIH-GFCCVEGCSA-N 312.369 3.155 0 40 DGAB biogenic CCCN(C(=O)[C@H]1COCCO1)[C@@H](C)c1cc2ccccc2o1 53371502 MZYHIHGAUUBBPW-SUMWQHHRSA-N 317.385 3.148 0 40 DGAB COc1ccc2oc(=O)c(C(=O)N3CCc4ccccc43)cc2c1 807576 XJIIPBJKELUVHJ-UHFFFAOYSA-N 321.332 3.005 0 40 DGAB CCOc1ccccc1NC(=O)c1cc2ccccc2oc1=O 130273 CCDISSFUHLHHBV-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB CN(C)C[C@@H]1CSCC[C@]1(O)c1ccc(C(F)(F)F)cc1 347751 ADSAQTUAGOVXJN-KGLIPLIRSA-N 319.392 3.208 0 40 DGAB CC(=O)O[C@@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C)cc1 367490 UPQAHSRLTOVTQV-ROUUACIJSA-N 309.365 3.010 0 40 DGAB COc1ccc(-c2nn3c(Cc4ccccc4)nnc3s2)cc1 383108 MJWOKPVNTKINGK-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB Fc1ccc(Cc2nnc3sc(-c4ccco4)nn23)cc1 385324 RDFJAJJTTDKWEE-UHFFFAOYSA-N 300.318 3.176 0 40 DGAB COc1ccc(C(=O)c2cc(Br)ccc2O)cc1 1589973 WSXPBMMNRDNDFT-UHFFFAOYSA-N 307.143 3.394 0 40 DGAB O=C([C@H]1C[C@H]1c1ccccc1)N1CCN(c2ccccc2)CC1 1745052 VNRLSOMNWLQRHF-OALUTQOASA-N 306.409 3.139 0 40 DGAB Cc1cnc(NC(=O)c2ccc(OC[C@@H]3CCCO3)cc2)s1 2654492 USXIPBGGMWLVAU-AWEZNQCLSA-N 318.398 3.262 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1F 3435210 MRIIBBBWIWOARZ-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CCc1ccc(CN(C)[C@@H](C)C(=O)NCc2ccccc2)cc1 3453939 HEUVAIYAUWFMBK-INIZCTEOSA-N 310.441 3.386 0 40 DGAB COCC(=O)Nc1c(C(=O)Nc2ccccc2)oc2ccccc12 4162427 QSFDAJLGXWBGAJ-UHFFFAOYSA-N 324.336 3.270 0 40 DGAB C[C@@H](O)c1ccc2c(c1)[C@@H](O)C[C@@H]1[C@]2(C)CCC[C@@]1(C)CO 4403852 TWOKHGIHLYQYCK-ZGFXHQAVSA-N 304.430 3.233 0 40 DGAB O=C1O[C@H](C(=O)Nc2nc3ccccc3s2)Cc2ccccc21 4424562 YDSCWVBYCHFQGN-ZDUSSCGKSA-N 324.361 3.017 0 40 DGAB CNC(=O)c1ccccc1C(O)(c1ccccc1)c1ccccc1 4887684 PZBRBMQRSQILCA-UHFFFAOYSA-N 317.388 3.330 0 40 DGAB COc1ccc(C(=O)OCc2cc(OC)c(OC)cc2C)cc1 6055774 RXEPWYDGTGIWGL-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB O=C(NC1CC1)[C@H](Oc1ccc(F)c(F)c1)c1ccccc1 7401531 MTWQOMDFPBAQBH-MRXNPFEDSA-N 303.308 3.364 0 40 DGAB Cc1ccsc1CNn1c(-c2ccncc2)n[nH]c1=S 7601856 NEYYWTZIAOPTNH-UHFFFAOYSA-N 303.416 3.116 0 40 DGAB Cc1cc(-c2ccccc2)nc(S[C@H](C)C(=O)N(C)C)n1 7625171 CAMOCGHHJNZGTO-GFCCVEGCSA-N 301.415 3.021 0 40 DGAB CC(C)Nc1nc(-c2ccc(NS(C)(=O)=O)cc2)cs1 8183643 YUWUWJXVEDPSLE-UHFFFAOYSA-N 311.432 3.002 0 40 DGAB C[C@@H]1C[C@@H](Sc2nnc(-c3c[nH]c4ccccc34)o2)C(=O)O1 8271420 UVBKASCFKGGADD-PRHODGIISA-N 315.354 3.014 0 40 DGAB CN(C)CCCNCc1ccccc1OCc1ccccc1F 8373918 IXOMJJMEEHEEGE-UHFFFAOYSA-N 316.420 3.446 0 40 DGAB COC(=O)c1cccc(NC(=O)c2ccc(SC)cc2)c1 8751837 IGKJNVFXYZCAPR-UHFFFAOYSA-N 301.367 3.447 0 40 DGAB COc1ccccc1NC(=O)/C=C/c1cnc2ccccc2n1 9483073 FYXCUVDEWNBHQI-ZHACJKMWSA-N 305.337 3.290 0 40 DGAB CCCN(CC1CC1)C(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2 9690072 VGVSWTRPZKGHOR-LLVKDONJSA-N 318.442 3.382 0 40 DGAB C[C@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1 10769588 OAZSQBMBOBNHCS-ZDUSSCGKSA-N 323.396 3.474 0 40 DGAB O=C(NCc1ccccn1)c1c[nH]nc1-c1ccc(Cl)cc1 11149018 KPBYPFTYAGRQAP-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB Cc1nc2cc(NC(=O)C[C@](C)(C(=O)O)C(C)C)ccc2o1 12786730 LVRWOGFVKXXALZ-INIZCTEOSA-N 304.346 3.212 0 40 DGAB NC(=O)c1ccc(C(=O)Nc2ccc(-c3nccs3)cc2)cc1 12922227 WNODDYORTSBYRF-UHFFFAOYSA-N 323.377 3.161 0 40 DGAB Cc1noc(C)c1CN(C)CC(=O)Nc1ccc(Cl)cc1 13096083 LMBXSNRRBIZKFQ-UHFFFAOYSA-N 307.781 3.015 0 40 DGAB CCCCCC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 13257422 HJBDQFRIPGMUFV-UHFFFAOYSA-N 303.402 3.212 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@H](C)c3ccc(F)cc3)nn2)cc1 13355648 IFXKMZXJVLUJOW-CYBMUJFWSA-N 324.359 3.206 0 40 DGAB COc1ccccc1CNCc1cc2cccc(C)c2[nH]c1=O 13566538 YDWXTHHIVGVEPR-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB CC[C@H](C)[C@H](NC(=O)Nc1ccc(C)c(Cl)c1)C(=O)OC 13758977 KNVOFFWRUKSPRE-ZANVPECISA-N 312.797 3.358 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCCCOCc1ccccc1 14016708 VDFDRUSIAZYGTH-UHFFFAOYSA-N 322.408 3.434 0 40 DGAB COC[C@H](C)Nc1nc2c(Cl)c(C)nn2c2ccccc12 14245865 SNAOLWLWVVSDNL-VIFPVBQESA-N 304.781 3.291 0 40 DGAB Cn1c(Cl)cnc1COC(=O)c1csc2c1CCCC2 16251082 KALOYCPSHZTGEK-UHFFFAOYSA-N 310.806 3.371 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@H]1[C@H]1Cc2ccccc2C1=O 19083227 YHBIJYGFXRFRME-CABCVRRESA-N 301.386 3.441 0 40 DGAB O=C(c1cscn1)N1CCC[C@@H](c2cc3ncccc3cn2)C1 19347366 QMKGKOYBVDCYMK-CYBMUJFWSA-N 324.409 3.106 0 40 DGAB C[C@@H]1CCc2onc(C(=O)NCCc3ccc(Cl)cc3)c2C1 20572083 IKBYJQKFWWELOJ-LLVKDONJSA-N 318.804 3.425 0 40 DGAB CN(C)[C@@H](CNC(=O)CCCc1cccs1)c1ccccc1 25419510 MLDWPLKHSHIETC-KRWDZBQOSA-N 316.470 3.490 0 40 DGAB Cc1noc(COC(=O)c2ccc(-c3ccc(F)cc3)o2)n1 25447811 LKAZXXCNXFPDJA-UHFFFAOYSA-N 302.261 3.134 0 40 DGAB COc1ccc(CNC(=O)c2ccc(C(F)(F)F)nc2)cc1 25896641 FJGCNILMQJZSSI-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)Cc1cc(=O)n2ccccc2n1 27558543 OLASCPOUHXEQEC-ZDUSSCGKSA-N 311.360 3.027 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](NCc2ccccc2)[C@H](F)C1 34531716 JXBLMDWEOQDVAC-HUUCEWRRSA-N 308.397 3.124 0 40 DGAB COc1ccc(-c2cc3nc(C)cc(N4CCCC4)n3n2)cc1 35315214 FIBWHJHQGMKRGQ-UHFFFAOYSA-N 308.385 3.314 0 40 DGAB CCOC(=O)c1sc(NC(=O)Nc2cccs2)nc1C 38671372 UJHZSLDNZKXDFS-UHFFFAOYSA-N 311.388 3.334 0 40 DGAB Cc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3F)o2)c(C)o1 38933051 SEDBSZAADNFETI-UHFFFAOYSA-N 319.267 3.477 0 40 DGAB O=C(NCC1(c2ccccc2)CCC1)[C@@H]1COc2ccccc2O1 42038249 ZGEYOLCBFBOFND-SFHVURJKSA-N 323.392 3.065 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)CSc1nncc2ccccc12 44156622 PTDCUOPRLHHXIO-WFASDCNBSA-N 315.442 3.417 0 40 DGAB COc1cc(CNC(=O)c2cc(Cl)sc2Cl)ccn1 48286176 CSCPPZFPLOMGPD-UHFFFAOYSA-N 317.197 3.389 0 40 DGAB CCn1c(C)cc(C(=O)NCc2ncc(C)c(OC)c2C)c1C 50771206 SHJMKIVSCMDNKJ-UHFFFAOYSA-N 315.417 3.075 0 40 DGAB CCCN1CC[C@H](CNC(=O)CCc2ccc(Cl)s2)C1 53408798 HBMWBKUJEBAYAA-GFCCVEGCSA-N 314.882 3.182 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cccc3[nH]ncc23)c(C)s1 54293740 ZPDCIWBLNZMKJO-UHFFFAOYSA-N 307.400 3.042 0 40 DGAB Cc1nccc(-c2cccc(NCc3nc(C4CC4)no3)c2)n1 55836914 TYEFCPNUPCAMNU-UHFFFAOYSA-N 307.357 3.325 0 40 DGAB O=C(Nc1cccc2cccnc12)c1cc2c([nH]c1=O)CCCC2 61717477 KFZPVMGAYGIBFQ-UHFFFAOYSA-N 319.364 3.054 0 40 DGAB COCc1cccc(NS(=O)(=O)c2ccc(SC)cc2)c1 64475577 AOJIDSNOZZTDMM-UHFFFAOYSA-N 323.439 3.356 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OCc1nnc(C)o1 67784297 IESHFLUNMIVGKP-UHFFFAOYSA-N 301.129 3.466 0 40 DGAB O=C(OCc1cc(Cl)c2c(c1)OCCO2)c1ccc(O)cc1 69652758 BRQJXSUUWRMBEL-UHFFFAOYSA-N 320.728 3.174 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc(-c2ccncc2)no1 69770559 ZPXSZAVLWDCBPE-LBPRGKRZSA-N 312.348 3.464 0 40 DGAB O=C(NCc1csc(C2CC2)n1)N[C@@H]1CCCc2occc21 69922361 MVRJXIGLBWBCEB-CYBMUJFWSA-N 317.414 3.490 0 40 DGAB CCOc1cc(C(=O)N2CCCC[C@@H]2c2nccs2)ccn1 72287466 NCDKMQHHVLQVFC-CYBMUJFWSA-N 317.414 3.304 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)c3ccn(C(C)C)n3)C2)n1 72299585 JNZIEIBGPLHCJS-CYBMUJFWSA-N 318.446 3.249 0 40 DGAB Nc1ccc(-c2nn3c(C(F)(F)F)nnc3s2)cc1Cl 73634300 LDYWABAJSYVSGS-UHFFFAOYSA-N 319.699 3.107 0 40 DGAB CCO[C@H](C)c1nc(CN(C)Cc2cnn(CC)c2)cs1 76730799 QMEQAZOODIGPCF-GFCCVEGCSA-N 308.451 3.089 0 40 DGAB CCc1cc(CNC(=O)N[C@H](CC)c2cc(F)ccc2F)[nH]n1 77582704 LFQVYEUEQQXQMT-OAHLLOKOSA-N 322.359 3.201 0 40 DGAB O=C(c1ccccc1)c1ccc(OCCC2OCCCO2)cc1 78949499 YXJXYWQPYDWJMO-UHFFFAOYSA-N 312.365 3.450 0 40 DGAB CSc1ccc(N2CCC(c3ccc(O)cc3)CC2)nn1 80946372 RYCIIEZQJZVFIM-UHFFFAOYSA-N 301.415 3.288 0 40 DGAB O=C(NCc1ccc(-c2ccn[nH]2)cc1)NC(C1CC1)C1CC1 84403123 NCBZSGFSWAUPQY-UHFFFAOYSA-N 310.401 3.065 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@H]2CC[C@@H]1COC2 85471122 KYCLIMMPQIKQJS-AOOOYVTPSA-N 301.173 3.389 0 40 DGAB CC(C)(C)c1nsc(NC[C@@H]2CCN(CC(F)(F)F)C2)n1 87640656 DLXYJLQQCKNIQE-VIFPVBQESA-N 322.400 3.132 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CC[C@H](CN2CCCCC2)C1 89827872 ZRUFMLKSYBWFEB-BHIYHBOVSA-N 312.457 3.125 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc2[nH]ccc12 89895018 AUNPZZUMIGPBTC-ACJLOTCBSA-N 308.381 3.410 0 40 DGAB CCc1nnc(CNc2ncnc3sc(C)c(C)c23)s1 95353512 XSLCLEMRSZUKLQ-UHFFFAOYSA-N 305.432 3.334 0 40 DGAB COc1cccc(NC(=O)CCSCc2cc(C)on2)c1 95403745 DQUBSTBXGZXHRK-UHFFFAOYSA-N 306.387 3.254 0 40 DGAB O=C(O)[C@H]1CC[C@@H](C(=O)Nc2cccc(COCC3CC3)c2)C1 95424331 ICYTZOJMLFPURN-CABCVRRESA-N 317.385 3.053 0 40 DGAB CSC[C@H]1CCN(C(=O)CSc2ccc3c(c2)CCC3)C1 95960769 VNNQIYVOVXLMAT-ZDUSSCGKSA-N 321.511 3.479 0 40 DGAB O=C(c1cnsn1)N1CC=C(c2cncc3ccccc23)CC1 96012066 XRDDFNJKLYVOTP-UHFFFAOYSA-N 322.393 3.016 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2ccccn2)cc1C 96286868 KOLYPEYHVCMJBR-AWEZNQCLSA-N 304.415 3.046 0 40 DGAB CC[C@@H](O)c1ccc(OCc2noc(-c3ccoc3)n2)cc1 96417357 SMLVQXSWGJAVHI-CQSZACIVSA-N 300.314 3.352 0 40 DGAB CCSCC[C@H](C)NC(=O)C1(c2ccccc2)CCOCC1 96433087 ROIOEFITNQPLTB-HNNXBMFYSA-N 321.486 3.383 0 40 DGAB CC(C)(C)OC(=O)NC1(c2nc(-c3cccs3)no2)CC1 96471658 GCXUXNCGCRALRF-UHFFFAOYSA-N 307.375 3.312 0 40 DGAB C[C@H](C(=O)N[C@@H](CC(=O)O)c1ccc(F)cc1)c1ccsc1 96479595 HVZAPKVHCZBPTI-HZMBPMFUSA-N 321.373 3.323 0 40 DGAB CCCCc1ccc(NC(=O)NC2(CCO)CCOCC2)cc1 96483145 XAUVCUZKAQLACQ-UHFFFAOYSA-N 320.433 3.082 0 40 DGAB COC(=O)c1ccc([C@H](C)N2CCC[C@H]2c2cnn(C)c2C)o1 96490652 OMFJNUMRWVTLIR-JSGCOSHPSA-N 317.389 3.006 0 40 DGAB O=C(c1ccc[nH]1)N1CCO[C@@H](c2ccccc2C(F)(F)F)C1 97081820 YAVDJKBOJXCUFD-CQSZACIVSA-N 324.302 3.247 0 40 DGAB Cc1ccc(CN(C(=O)Cc2cccc(C(=O)O)c2)C(C)C)o1 97231568 NUTDGZKZKBEOGH-UHFFFAOYSA-N 315.369 3.266 0 40 DGAB C[C@]12CC[C@H](O)C[C@@H]1CC[C@@H]1[C@@H]2C(=O)C[C@]2(C)C(=O)CC[C@H]12 97975655 IUNYGQONJQTULL-SUOFIILOSA-N 304.430 3.138 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)c(Cl)c1)[C@H]1C=C[C@H]2C1 100526936 KEOHVBVLJVUNLS-XMUKKISLSA-N 308.164 3.305 0 40 DGAB Cc1cc(=O)oc2cc(NCc3nc(-c4ccco4)no3)ccc12 101026439 JMYIECJAACHEEI-UHFFFAOYSA-N 323.308 3.357 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@@H](NC(=O)C2=CCCC2)C1 120156499 ZZHGKOKTARCGGP-KGLIPLIRSA-N 308.422 3.049 0 40 DGAB CC(=O)NC[C@H]1CCCN(C(=O)Nc2c(C)cccc2Cl)C1 133315308 NEPMTVGIBUIKEV-CYBMUJFWSA-N 323.824 3.028 0 40 DGAB C[C@H]1SCCN(C(=O)N[C@H](c2nccs2)C2CC2)[C@@H]1C 195532030 XJCVAUHPFZLLDG-FOGDFJRCSA-N 311.476 3.130 0 40 DGAB Cc1ccc(NC(=S)NC2CCCC2)cc1N1CCCC1=O 225278443 JJKPLKINWZLRSA-UHFFFAOYSA-N 317.458 3.351 0 40 DGAB CC1(C(=O)N2CC[C@H](Oc3ccccn3)C2)CCC(F)(F)CC1 528842358 RVZJWDWMZWPMGF-ZDUSSCGKSA-N 324.371 3.277 0 40 DGAB CCc1noc(CC)c1CNC(=O)[C@H]1CCc2ccccc2C1 564662583 ZWZGGYDYVXZPPF-HNNXBMFYSA-N 312.413 3.221 0 40 DGAB O=C(O)c1cncc(-c2cc(F)ccc2OC[C@@H]2CCCO2)c1 580785103 ODTRKWRBCMICEC-AWEZNQCLSA-N 317.316 3.144 0 40 DGAB CC[C@H](C)N1CCN(C(=O)[C@H](C)Cc2cccc(Cl)c2)CC1 1556627032 XLTAYXZUKVAVAR-CABCVRRESA-N 322.880 3.461 0 40 DGAB COc1cc(C)c(S(=O)(=O)Oc2ccc(F)cc2)cc1C 1775977517 IUOKBYYDKCOSSQ-UHFFFAOYSA-N 310.346 3.219 0 40 DGAB CCCCC[C@H](C)NS(=O)(=O)c1ccc(OC)c(F)c1 30334519 OPAVQXVZTGRVNE-NSHDSACASA-N 303.399 3.081 0 40 DGAB CNC(=O)Oc1cccc(NC(=O)OCc2ccccc2)c1 1756467 UOCKZVQNEMTPAR-UHFFFAOYSA-N 300.314 3.154 0 40 DGAB C[C@H]1CC=CC[C@H]1C(=O)OCCOC(=O)[C@@H]1CC=CC[C@@H]1C 4782997 LHLCITNAENHCAB-CAOSSQGBSA-N 306.402 3.277 0 40 DGAB CC(C)c1noc(CCCC(=O)N2CCc3sccc3C2)n1 40534035 NSLHTBXRFLRDCH-UHFFFAOYSA-N 319.430 3.162 0 40 DGAB Cc1noc(C)c1CSc1nnc(-c2ccoc2C)n1C 4947781 XFVLAGBZZLHDDT-UHFFFAOYSA-N 304.375 3.281 0 40 DGAB CCCCOc1ccc2c(C)c(CC(=O)O)c(=O)oc2c1C 2445278 OEMYNIVCULCIJA-UHFFFAOYSA-N 304.342 3.216 0 40 DGAB O=C(Nc1nncs1)c1cccc(OCc2ccccc2)c1 21213002 NZDBHKHSCYQZSP-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB COc1ccc(NC(=O)Cc2noc3ccccc23)c(OC)c1 385428 YSKAUNPLXLRSCE-UHFFFAOYSA-N 312.325 3.026 0 40 DGAB COc1cccc(CCC(=O)Nc2nc(C)c(C)s2)c1OC 32719139 JWLKENIRHKGCAV-UHFFFAOYSA-N 320.414 3.348 0 40 DGAB CN1CCC[C@@H](CNC(=S)Nc2ccc(F)c(Cl)c2)C1 9876421 JENDQUDNNUZUJU-JTQLQIEISA-N 315.845 3.107 0 40 DGAB Cc1ccccc1CN1CCCN(Cc2cscn2)CC1 69655716 CJWGSIQFJPZRGW-UHFFFAOYSA-N 301.459 3.159 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)NCc3ccco3)cc2)n1 27970371 IBELHRQSMJDKFM-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB O=S(=O)(CCN(Cc1cccs1)C1CC1)c1ccccc1 45751368 CXGQMXHXGNGUNV-UHFFFAOYSA-N 321.467 3.186 0 40 DGAB O=C(Nc1cc(C(F)(F)F)ccc1Cl)c1ncccn1 56906773 WCOHFYYMNHBAOY-UHFFFAOYSA-N 301.655 3.401 0 40 DGAB COc1cc(-c2nc3ccccc3c(=O)[nH]2)ccc1OC(C)C 53846106 SLHZFDTVTVFDAF-UHFFFAOYSA-N 310.353 3.386 0 40 DGAB CCn1cc(NC(=O)C2(c3ccc(F)cc3)CCC2)ccc1=O 47181874 FASIOWWJNBLOIV-UHFFFAOYSA-N 314.360 3.068 0 40 DGAB Cc1ccc(SCC(=O)NCCCN2CCCCCC2)cc1 10111094 LMYWABUMCNOBNK-UHFFFAOYSA-N 320.502 3.469 0 40 DGAB C[C@@H](NC(=O)CCc1ccc2c(c1)OCO2)c1ccc(F)cc1 113969331 QPWYVFSDIXUDCI-GFCCVEGCSA-N 315.344 3.364 0 40 DGAB COC(=O)c1cnc(NC(=O)CCc2ccc(Cl)cc2)s1 24864492 GYSOKIJWHUKMCW-UHFFFAOYSA-N 324.789 3.154 0 40 DGAB O=C(/C=C/c1ccccn1)Nc1cccc(CN2CCCC2)c1 55308156 IUYSHACEGVTKML-MDZDMXLPSA-N 307.397 3.329 0 40 DGAB CCCCCC[C@H](C)NC(=O)c1ccc2c(c1)C(=O)N(C)C2=O 24928021 UVKZERHATWUOCS-LBPRGKRZSA-N 316.401 3.001 0 40 DGAB C[C@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 57574280 PQVWAGMCXKFIIG-UGSOOPFHSA-N 312.388 3.496 0 40 DGAB COc1ccc2cc(CNc3ncnc4[nH]ncc34)ccc2c1 12574138 GIMQWKIHAPEUAM-UHFFFAOYSA-N 305.341 3.127 0 40 DGAB CCOc1cccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 20107878 HQLUOKHKNOLHDU-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB COc1ccc(CCC(=O)NCc2cccs2)cc1OC 7064407 GXLUERNXBAXKQU-UHFFFAOYSA-N 305.399 3.014 0 40 DGAB O=C(NCCCC1CCCC1)N1CCN(c2ccccc2)CC1 12539297 GPMJXSUKIBAKEN-UHFFFAOYSA-N 315.461 3.489 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)CC[C@H]1CCCO1 58245131 CLLIGVQNDVOFKK-DLBZAZTESA-N 317.429 3.188 0 40 DGAB CCC(CC)C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58283270 OLXZAYQYRBVBGM-LBPRGKRZSA-N 310.388 3.344 0 40 DGAB Cc1nccc(C(=O)Nc2nc3ccccc3n2C(C)(C)C)n1 58283043 UZESXIPRHJRLSW-UHFFFAOYSA-N 309.373 3.142 0 40 DGAB Cc1cc2n(n1)C[C@H](CN[C@H](C)c1cc(C)sc1C)CN2 58294445 WKLBANUMSNLCHV-TZMCWYRMSA-N 304.463 3.262 0 40 DGAB CC(C)CCNC(=O)[C@@H](NC(=O)c1ccccc1)c1ccccc1 12605500 LWPGNBMPBFMXCG-SFHVURJKSA-N 324.424 3.320 0 40 DGAB CCOc1ccc(OCCSc2nnc(NC)s2)cc1 7102159 WLKLIBTVDJWISR-UHFFFAOYSA-N 311.432 3.150 0 40 DGAB Cc1nc2ccccc2nc1CSc1nnc2ccccn12 3441103 NNBKHBXPYKMWJV-UHFFFAOYSA-N 307.382 3.273 0 40 DGAB CC(=O)c1ccc(NC(=S)Nc2ccc3c(c2)OCO3)cc1 3504018 KXUOJCZDSKXFHO-UHFFFAOYSA-N 314.366 3.427 0 40 DGAB O=S(=O)(c1ccc2c(c1)CCC2)N(Cc1ccco1)C1CC1 12909700 CSNDJKJXFXHSFQ-UHFFFAOYSA-N 317.410 3.122 0 40 DGAB NC(=O)[C@@H](OC(=O)c1sccc1C1CC1)c1ccccc1 64123841 QOZJAGOHBKOWKC-ZDUSSCGKSA-N 301.367 3.009 0 40 DGAB CCN(C(=O)[C@@H]1CCCN(Cc2ccccc2)C1)c1cccnc1 68363707 KBJMFPVZLRIUPB-GOSISDBHSA-N 323.440 3.347 0 40 DGAB CCc1ccc(C(=O)O[C@@H](C)c2nc3ccccc3c(=O)[nH]2)cc1 5359954 ZNPPRHKYMONJKN-LBPRGKRZSA-N 322.364 3.404 0 40 DGAB O=C(Nc1ccccc1)C1CCN(C(=O)C2CCCC2)CC1 7924736 KTGSLPVVXAVTTB-UHFFFAOYSA-N 300.402 3.054 0 40 DGAB CC[C@]1(C)CCCN(C(=O)c2ccc(CNC(C)=O)s2)C1 81322213 RHMANBKHVJVUID-MRXNPFEDSA-N 308.447 3.037 0 40 DGAB CCN(Cc1ccccc1NC(=O)[C@H]1CC=CCC1)C(C)=O 27369630 FPGPLCFGCYWKDR-HNNXBMFYSA-N 300.402 3.350 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccccc2)Cc2ccc(Cl)cc21 8020550 BJTHTCWOGDIBQL-AWEZNQCLSA-N 301.729 3.060 0 40 DGAB COc1ccc(NC(=O)Nc2nc(C)c(C(C)=O)s2)cc1 27925404 HUGSYKCZIWFTJP-UHFFFAOYSA-N 305.359 3.307 0 40 DGAB Cc1cccc(CNc2cccc(C(=O)N3CCC[C@H](O)C3)c2)c1 66825424 AVAOHTCOHJCHCL-IBGZPJMESA-N 324.424 3.204 0 40 DGAB Cc1cnn(CCNCc2c[nH]nc2-c2cc3ccccc3o2)c1 69899932 SGYCQZZUYLGFKD-UHFFFAOYSA-N 321.384 3.118 0 40 DGAB CC(=O)N1CCC[C@H]1[C@@H]1CCCN1Cc1csc(C(C)C)n1 69927172 ZHSLUELSYYYNBR-HOTGVXAUSA-N 321.490 3.242 0 40 DGAB COc1ccc(C(=O)NCCc2cccc(Cl)c2)c(F)c1 9494524 YDZVKWLMMKNGGA-UHFFFAOYSA-N 307.752 3.460 0 40 DGAB CC[C@H](Oc1cccc2cccnc12)C(=O)Nc1cc(C)on1 9449993 ZEENEEKKCZHUEA-ZDUSSCGKSA-N 311.341 3.327 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2nncn2c1 71851023 GYFMZJKZHABUGC-NSHDSACASA-N 314.776 3.216 0 40 DGAB Cc1ccccc1[C@H](NC(=O)CCN1CCCC1=O)C(C)(C)C 75106131 DJJCCDZHFRJTAM-SFHVURJKSA-N 316.445 3.211 0 40 DGAB CC(C)c1noc(CN2CCSC[C@@H]2c2ccccc2)n1 75139857 IBODOBURFYUZPO-CQSZACIVSA-N 303.431 3.483 0 40 DGAB C[C@@H]1[C@@H](NC2CCN(CC(F)F)CC2)C[C@@H]1c1ccccc1 97084857 RRJMXEJJFZUSSD-JQFCIGGWSA-N 308.416 3.498 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](CC(C)(C)C)C(F)(F)F 97046816 DTFVBSITWPTVAU-LLVKDONJSA-N 306.328 3.317 0 40 DGAB Cc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)[C@H]2C(=O)O)cc1 72233690 DXRSFPLZBXXHCL-UONOGXRCSA-N 305.374 3.173 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)c1ccsc1 72234195 MTQYKFQIDVOWFQ-NSHDSACASA-N 309.822 3.421 0 40 DGAB Cc1csc(-c2ccc(C(=O)N(C)C[C@H]3CCCO3)cc2)n1 84271371 FCSXUASPERIODT-OAHLLOKOSA-N 316.426 3.370 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccsc1 95116839 AMVPLKZPVYNXNR-CQSZACIVSA-N 314.366 3.174 0 40 DGAB CC(C)N1CCC(N(C)C(=O)C2(c3ccccc3)CCC2)CC1 84597481 XPHBMPZZVRUDEW-UHFFFAOYSA-N 314.473 3.440 0 40 DGAB C[C@@H]1CCC[C@@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 89927323 VZBBTZOZTRYFFU-UTUOFQBUSA-N 316.371 3.386 0 40 DGAB Cc1cc(Br)ccc1CNc1cnccc1CO 95431162 JPRRLNNXIYPJBB-UHFFFAOYSA-N 307.191 3.257 0 40 DGAB COc1ccc(CNc2nc3ccccc3[nH]2)cc1NC(C)=O 95447145 FDEHGTFGEUEQQH-UHFFFAOYSA-N 310.357 3.142 0 40 DGAB C[C@H]1CCN(CCSc2nnc(Cc3cccs3)o2)C1 79058382 ZQWSWDSGZCUIPY-NSHDSACASA-N 309.460 3.156 0 40 DGAB CCCn1nc(C)cc1NC(=O)c1ccc(Br)o1 32610743 WDOJOUUPBNHSAO-UHFFFAOYSA-N 312.167 3.209 0 40 DGAB CC(C)Oc1cc(C(=O)N2C[C@H](C)O[C@H](C)C2)cc2occc12 72240196 PPDFWYCVKJMYQO-BETUJISGSA-N 317.385 3.469 0 40 DGAB CSc1cccc(NC(=S)Nc2ccc(C(N)=O)cc2)c1 71761316 LJUCLGJCLOLUMX-UHFFFAOYSA-N 317.439 3.316 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccccc1O)c1ccccc1Cl 36700565 IHUWUPBHOQXJMM-HNNXBMFYSA-N 318.804 3.078 0 40 DGAB Cc1n[nH]cc1CN[C@H]1CCc2c(Br)cccc21 78553801 JOWBTWZSJLEJGJ-AWEZNQCLSA-N 306.207 3.258 0 40 DGAB CC(=O)c1sc(N(C(=O)Cc2cccs2)C2CC2)nc1C 36612520 TXKCCPNMOFJKNT-UHFFFAOYSA-N 320.439 3.454 0 40 DGAB C=Cc1cnc(N2CCN(C(=O)OC(C)(C)C)CC2)cc1C 72223665 QJWCCEQDNWMDMK-UHFFFAOYSA-N 303.406 3.090 0 40 DGAB CC1(C)CCC[C@H](NC(=O)c2ccnc(NC(=O)C3CC3)c2)C1 560662254 RSJRTSGEJRURGP-AWEZNQCLSA-N 315.417 3.129 0 40 DGAB CC(=O)Nc1cccc(CNc2nc3ccccc3cc2CO)c1 77928652 UAIDZSLWYNWQJX-UHFFFAOYSA-N 321.380 3.298 0 40 DGAB COC(=O)c1ccc(Cn2ccc(=O)c3cc(C)cc(C)c32)o1 40175712 RBDOLFXMAZVQTA-UHFFFAOYSA-N 311.337 3.046 0 40 DGAB Fc1ccccc1CN1CC[C@H](c2nnc(-c3cccnc3)o2)C1 49169665 FSFCPNRSPOTRFA-HNNXBMFYSA-N 324.359 3.260 0 40 DGAB biogenic,in-vitro O=C(c1cccc(Cl)c1)N1CCC(Oc2ccccn2)CC1 90607481 RZNJZVSBPQGCBV-UHFFFAOYSA-N 316.788 3.419 0 40 DGAB O=C(CCCCCNC(=O)c1ccccc1)NC1CCCCC1 82250761 IRXFCOITCQMMMY-UHFFFAOYSA-N 316.445 3.426 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cc(C)ccn2)cc1 225643692 LKEWEIJUJFUXGN-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB COc1ccc(S(=O)(=O)N(C)Cc2ccco2)cc1C(C)C 223741677 AJYMBGJQTGNPMZ-UHFFFAOYSA-N 323.414 3.232 0 40 DGAB COc1ccc(C(=O)NC2CC2)cc1COCc1ccccc1 224457321 VORYKDILQXYJGV-UHFFFAOYSA-N 311.381 3.304 0 40 DGAB Fc1cc(N2CC[C@@H](NCc3cscn3)C2)ccc1Cl 95448944 LIMBZKDEKCDLMD-SNVBAGLBSA-N 311.813 3.304 0 40 DGAB CCCCNC(=O)Nc1cc(C)c2c(c1)C(C)(C)C(=O)N2C 96182152 UASRHJBFKSAJJO-UHFFFAOYSA-N 303.406 3.171 0 40 DGAB C[C@H](CO)[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F 96435490 XAJOBQQIAKTWBT-GHMZBOCLSA-N 306.337 3.224 0 40 DGAB C[C@H]1C[C@@H](C)N(C(=O)Cc2cc(F)ccc2F)c2ccnn21 96443103 NPRQDQYEEVCFFS-MNOVXSKESA-N 305.328 3.090 0 40 DGAB Cn1cnnc1CN[C@H](c1ccc(F)cc1F)C1CCCC1 96492091 LSZKJQQLMXTSRG-INIZCTEOSA-N 306.360 3.114 0 40 DGAB COCc1ccccc1C(=O)NCC1(c2cccc(F)c2)CC1 96416687 SDLFMTDUKWXMRN-UHFFFAOYSA-N 313.372 3.434 0 40 DGAB O=C(CC1CCCCC1)NC1CCN(Cc2ccco2)CC1 96490033 CBHUEUIHGAFCEC-UHFFFAOYSA-N 304.434 3.331 0 40 DGAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCCC1 253408559 YDGFPVUXIAVYTR-JTQLQIEISA-N 306.387 3.083 0 40 DGAB biogenic,in-vitro COC[C@H](NC(=O)[C@@H]1C[C@H](C)CC(C)(C)C1)C1CCOCC1 585113331 PCNTXVCTXANBIP-IMJJTQAJSA-N 311.466 3.007 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257270078 MSRMMDYQUINAJB-CQSZACIVSA-N 317.458 3.129 0 40 DGAB CC(C)N1CCC[C@@H]1c1cncc(-c2ccccc2C(=O)O)n1 257310649 UFYNNVBXFAGATB-QGZVFWFLSA-N 311.385 3.387 0 40 DGAB C[C@@]1(Cc2cccc(F)c2)Oc2ccccc2[C@H]1OCC(=O)O 585263487 WDELRNUVZLRCPL-MSOLQXFVSA-N 316.328 3.362 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)NCC[C@]1(C)C[C@@]1(F)Cl 685938996 WOFNMSURSFZCLT-CFVMTHIKSA-N 320.836 3.148 0 40 DGAB COc1ccc(C[C@H]2CCCN2C(=O)c2scnc2C)cc1 55614225 XPDICYRCIQKEPX-CQSZACIVSA-N 316.426 3.307 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@H](c3ccno3)C1)CCCC2 1615141399 KXYKNHZBXJPYAN-ZDUSSCGKSA-N 314.385 3.475 0 40 DGAB COc1ccc2c(c1)N1CCc3cc(OC)c(OC)cc3[C@H]1C2 5550265 AAFHVEXHFUEGIX-QGZVFWFLSA-N 311.381 3.372 0 40 DGAB CC(C)c1ccc(OCc2cc(=O)n3ccsc3n2)cc1 14734557 DQNZDTWWYGVPJB-UHFFFAOYSA-N 300.383 3.458 0 40 DGAB Cc1nn(C)cc1-c1cncn1C(C)(C)CN1CCC(C)CC1 19719510 SMFOHLUXSLMKMW-UHFFFAOYSA-N 315.465 3.059 0 40 DGAB COc1ccc2oc(CNc3cccnc3-n3cncn3)cc2c1 161941854 RROZPRYTCPUQBO-UHFFFAOYSA-N 321.340 3.029 0 40 DGAB COc1ccccc1-c1nnc(NC(=O)/C=C/c2ccccc2)o1 4329743 HDPHGOAVCSBZKK-VAWYXSNFSA-N 321.336 3.397 0 40 DGAB CC(C)CC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2C 10971763 RAEUDTFXJNZTNT-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB CCc1nc2ccccc2n1CC(=O)N[C@H]1CCc2ccccc21 16472265 AOQXXAUIKHMPEY-INIZCTEOSA-N 319.408 3.402 0 40 DGAB Cc1ncnc(N2CCN(c3ccc(F)c(Cl)c3)CC2)c1F 1888856595 DTFOWZBRIVYEHT-UHFFFAOYSA-N 324.762 3.043 0 40 DGAB COc1ccc(C(F)(F)F)cc1NC(=O)c1cncc(C)n1 1889122770 NEJRJYDTZASAJB-UHFFFAOYSA-N 311.263 3.065 0 40 DGAB CC(=O)NCc1ccc(C(=O)N(C)Cc2ccc(C)cc2C)cc1 32739355 QYNWVPZLCNMBKN-UHFFFAOYSA-N 324.424 3.212 0 40 DGAB C[C@](NC(=O)Nc1cc(Cl)ccc1Cl)(C(=O)O)C1CC1 36750223 JTGQOMRKHAHSBY-CYBMUJFWSA-N 317.172 3.368 0 40 DGAB CC(C)N1CCC(Cc2cc(Nc3nccs3)ncn2)CC1 2037835000 QIMWXTPKDPMAKT-UHFFFAOYSA-N 317.462 3.340 0 40 DGAB Clc1nc(NCc2ccco2)nc(NC2CCCCC2)n1 272219 RMTGMMKUCRBTBN-UHFFFAOYSA-N 307.785 3.475 0 40 DGAB Cc1cccc(NC(=O)CSc2ncccc2C(=O)O)c1C 415166 FZUHEWFWNMEYJO-UHFFFAOYSA-N 316.382 3.127 0 40 DGAB O=C(c1ccc(Cn2cncn2)cc1)N(C1CCCCC1)C1CC1 45490331 ANSVQCFTJNBCDY-UHFFFAOYSA-N 324.428 3.264 0 40 DGAB Cc1ccc(NC(=S)Nc2ccc3nc[nH]c(=O)c3c2)cc1 1095405 NFUCKSWQHUQZSB-UHFFFAOYSA-N 310.382 3.040 0 40 DGAB COc1cc(-c2nc3ccc(N)cc3o2)cc(OC)c1OC 31899446 DKESHIXTODITCJ-UHFFFAOYSA-N 300.314 3.103 0 40 DGAB CCc1ccccc1NC(=O)COc1ccc(C(=O)OC)cc1 4201681 UFRDURQIYJIOES-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB COC(CN(C)C(=S)Nc1cccc2ccccc12)OC 6375301 UKLHYNKIFNVGIE-UHFFFAOYSA-N 304.415 3.087 0 40 DGAB CC(C)OCCCNC(=O)COc1ccccc1C(C)(C)C 52819624 GPKJFHUVTCARLX-UHFFFAOYSA-N 307.434 3.294 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C[C@@H](O)COc2ccccc2)C1 102248458 TWFIYJORCSEMDQ-FRQCXROJSA-N 303.446 3.327 0 40 DGAB COc1cccc(N2C(=O)C[C@@H](c3c[nH]c4ccccc34)C2=O)c1 100116532 WWTNGKIEHTUEIJ-HNNXBMFYSA-N 320.348 3.224 0 40 DGAB aggregator,biogenic CCCOc1ccc2cc(S(=O)(=O)n3ccnc3)ccc2c1 8714793 MQVCNQQHTVQEMX-UHFFFAOYSA-N 316.382 3.062 0 40 DGAB Cc1nn(-c2ccccc2)nc1C(=O)NC1CCCCCCC1 29490601 DHUCDZZVYRHQJU-UHFFFAOYSA-N 312.417 3.418 0 40 DGAB Cn1nnc2cc(C(=O)N3C[C@@]4(C)C[C@H]3CC(C)(C)C4)ccc21 101414735 PHZMVLKOWPCTAZ-ACJLOTCBSA-N 312.417 3.009 0 40 DGAB CC(=O)N1C[C@H](C(=O)Nc2ccc(C)cc2C)Oc2ccccc21 22390314 GPTXXHGXELSPNP-GOSISDBHSA-N 324.380 3.056 0 40 DGAB CS[C@@H]1CC[C@H](NC(=O)N(C)[C@H](C)Cc2ccc(O)cc2)C1 110693392 VISPBCRVSAADKV-IVMMDQJWSA-N 322.474 3.249 0 40 DGAB CN(C)c1ccc(CCCNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105572386 JWKRBBZCLXFNBV-BQFCYCMXSA-N 300.446 3.238 0 40 DGAB CC(C)c1csc(NC(=O)[C@H]2CC(=O)Nc3ccccc32)n1 25002106 ADKSBQHHIQRGHX-NSHDSACASA-N 315.398 3.331 0 40 DGAB COCc1ccccc1CNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1 25306491 XVWGZLOWAJDILV-QZTJIDSGSA-N 313.372 3.392 0 40 DGAB Cc1cc(NC(=O)/C=C/c2ccncc2)n(Cc2ccccc2)n1 56136272 DCEDDNNXHAYGHT-BQYQJAHWSA-N 318.380 3.287 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(OC(F)F)c(F)c1 47713797 SXPRWRZTMZKQMI-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB O=C(Nc1ccccc1-n1cccn1)c1cc(-c2ccco2)on1 57073593 ZZWXIRAPIZBOSO-UHFFFAOYSA-N 320.308 3.373 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@@H](C)Nc1cccc(Cl)c1C 44871578 MDNQPJDMYNJYLX-LLVKDONJSA-N 320.824 3.438 0 40 DGAB C[C@H](NC(=O)NC[C@H](O)c1cccc(F)c1)c1cccc(F)c1 58343967 GFXRTWNWPCDWHV-ZBEGNZNMSA-N 320.339 3.059 0 40 DGAB Cc1cc(NC(=O)N2CCCC[C@H]2Cc2ccccc2)n(C)n1 58358152 MBDWLDVODWCDII-INIZCTEOSA-N 312.417 3.358 0 40 DGAB Cc1ccc([C@@H](CNC(=O)Cc2ccccc2)N2CCCC2)cc1 27989145 BAKDSMIMYVQPMC-HXUWFJFHSA-N 322.452 3.491 0 40 DGAB COc1ccccc1N1CC[C@@H](CNC(=O)CCC(C)C)C1 58405953 NRRCOOHOZJPMER-HNNXBMFYSA-N 304.434 3.074 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2ccccc2)cc1 3284469 VHAOQLKNARDVDA-CYBMUJFWSA-N 311.337 3.073 0 40 DGAB O=C(Nc1ccc(OCC(F)(F)F)nc1)N1CCCCCC1 48200208 HOZGOGSVYPMMLZ-UHFFFAOYSA-N 317.311 3.431 0 40 DGAB Cc1cccc(NC(=O)CCCNC(=O)c2cccs2)c1 12885900 POTCMKIQHKQQRU-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB COC(=O)C1(NC(=O)/C=C/c2ccc(Cl)cc2)CCCCC1 12817521 STVWLOQRUNFZBI-JXMROGBWSA-N 321.804 3.345 0 40 DGAB COCCCNC(=O)c1cccc2c3c([nH]c12)CCCCC3 12947077 CFYJCQJZBZETIA-UHFFFAOYSA-N 300.402 3.203 0 40 DGAB CCNC(=O)NCC1(c2cccc(Br)c2)CCC1 48732410 MRHMMISPSRFBNM-UHFFFAOYSA-N 311.223 3.190 0 40 DGAB O=c1cc(N2CCC(N3CCCCC3)CC2)c2ccccc2o1 6243816 QXYDFGHUGIAFRG-UHFFFAOYSA-N 312.413 3.248 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2cccnc2Cl)cc1OC 6246834 MKEQHTVAMVPLEC-SOFGYWHQSA-N 318.760 3.404 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)OCCOc1ccccc1F 6384007 QXBFGSUKNYLKPD-UHFFFAOYSA-N 313.328 3.472 0 40 DGAB COc1ccc(F)cc1COC(=O)c1ccc(NC(C)=O)cc1 6347660 PVPPOROLHMFXMC-UHFFFAOYSA-N 317.316 3.150 0 40 DGAB CCn1nnnc1SCc1noc(-c2ccc(F)cc2)c1C 14139588 YFJACCBPIAUEAR-UHFFFAOYSA-N 319.365 3.088 0 40 DGAB COCCc1nnc2sc(-c3ccc4ccccc4c3)nn12 6760565 ZFSGLGZFMDMTOI-UHFFFAOYSA-N 310.382 3.195 0 40 DGAB COc1ccc2nc(S[C@H](C)C(=O)NC3CCCC3)[nH]c2c1 8710188 NKVUILHTTFEJHE-SNVBAGLBSA-N 319.430 3.111 0 40 DGAB Cc1cnc(CN2CCC(OCc3ccccc3F)CC2)o1 91867114 AQZAKOYBKRHYFC-UHFFFAOYSA-N 304.365 3.303 0 40 DGAB CC(C)NC(=O)COC(=O)c1ccccc1Nc1ccccc1 4839690 RUYGMACRXBKJRI-UHFFFAOYSA-N 312.369 3.112 0 40 DGAB COc1cccc(-c2nn3c(-c4ccoc4C)nnc3s2)c1 4938926 XNLHCBPMMJXAHZ-UHFFFAOYSA-N 312.354 3.430 0 40 DGAB CCc1ccc(-c2csc(NC(=O)C3=COCCO3)n2)cc1 5985207 KYEGDCCRPQEFKB-UHFFFAOYSA-N 316.382 3.199 0 40 DGAB Cc1noc(Cl)c1CCC(=O)N1CCC[C@@H]1c1ccccn1 71841464 CJLLMYLLGBFKCF-CQSZACIVSA-N 319.792 3.328 0 40 DGAB O=C(Nc1ccsc1)N1CCC[C@H](c2nncn2C2CC2)C1 96007976 COCLSRNDWVSZCA-NSHDSACASA-N 317.418 3.086 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(NC(=O)C3CC3)c2)cc1 71804311 YKMRNYBUAAHPJU-UHFFFAOYSA-N 324.380 3.361 0 40 DGAB Cc1ncsc1COC(=O)c1ccc(Br)o1 71857641 TVSZSCUFZPGPSY-UHFFFAOYSA-N 302.149 3.164 0 40 DGAB CCOc1cc2ccccc2cc1C(=O)NC1=NCCS1 9315116 JTHMQBSOXJYGMZ-UHFFFAOYSA-N 300.383 3.071 0 40 DGAB CCc1nc2cc(NC(=O)Nc3cccnc3OC)ccc2o1 83830568 QBDRVIJSQCCNHV-UHFFFAOYSA-N 312.329 3.438 0 40 DGAB Cc1ccoc1C(=O)O[C@@H](c1c(C)nn(C)c1C)C(F)(F)F 89701972 LLZYKDKRDCDNTO-LBPRGKRZSA-N 316.279 3.399 0 40 DGAB CC(C)(C)c1nc(Cn2cnc(C3CCC3)cc2=O)cs1 89705004 KNLCIIAGVWHKBA-UHFFFAOYSA-N 303.431 3.313 0 40 DGAB COc1ccccc1NC(=O)c1cncn1-c1ccc(F)cc1 9868617 BZPMTUUMZCXAFG-UHFFFAOYSA-N 311.316 3.272 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2cccnc2)C1 89814142 CLVLANQPVVTRLK-CYBMUJFWSA-N 317.776 3.420 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NCc1ccc(Cl)o1 89948962 VZBIYSRSXNVHFT-FZMZJTMJSA-N 310.825 3.060 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N(C)C[C@H](C)c1nccs1 97108319 OAWKLWNRABNFRF-QWRGUYRKSA-N 320.462 3.239 0 40 DGAB Cc1ccc(OCCNC(=O)CCc2ccc(F)cc2)cc1 60882582 LATGOLYHSKXINJ-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1ccc([C@@H](CC(=O)O)NC(=O)c2ncoc2C(C)C)cc1 76016936 FZBJQOBLCBFHJN-CYBMUJFWSA-N 316.357 3.052 0 40 DGAB Cc1ccc(C(=O)NCCc2nnc(-c3ccccc3)o2)c(C)c1 76094587 KVGIUGTVYMYQFG-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB O=C(c1ccc2cnncc2c1)N1CC[C@@H](c2ccccc2)C1 408978589 MYYOYOSYJAIEBP-QGZVFWFLSA-N 303.365 3.260 0 40 DGAB Cc1nccc(CNC(=O)C(C)(C)Cc2cccc(Cl)c2)n1 84752231 BHRZWONEFGEADW-UHFFFAOYSA-N 317.820 3.324 0 40 DGAB O=C(Nc1cccc2cccnc12)N1CCCC[C@H]1c1nc[nH]n1 95455769 FDAMXRDUNHFMOB-AWEZNQCLSA-N 322.372 3.112 0 40 DGAB COCCC1(C(=O)N[C@H]2C[C@H]2c2cccc(F)c2F)CCC1 95415286 KIIXJJVHTTWXMC-JSGCOSHPSA-N 309.356 3.144 0 40 DGAB c1cnc2c(CN[C@@H]3CCO[C@]4(CCSC4)C3)cccc2c1 95425997 MPVQXOWPHVXIMM-SJLPKXTDSA-N 314.454 3.379 0 40 DGAB Cn1nncc1CN[C@H](CC(F)(F)F)c1ccc(Cl)cc1 95448940 LPVYPGMGMSGDFP-GFCCVEGCSA-N 318.730 3.252 0 40 DGAB O=C(NCC1(CCO)CCCC1)N[C@H]1CCc2c(F)cccc21 78951968 JIVLMKAAMNPCPW-INIZCTEOSA-N 320.408 3.055 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H](CC)c2c(C)noc2C)cn1 95975655 KYMLNADBDOQRAX-ZDUSSCGKSA-N 318.377 3.358 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](C1CCCCC1)N(C)C 95955516 UPWDLKZVPMLKNU-HNNXBMFYSA-N 321.465 3.347 0 40 DGAB CC(C)(C)SCCCC(=O)N1CC[C@]2(O)CCCC[C@@H]2C1 95973781 ZDLZVRFXHFCUGL-RHSMWYFYSA-N 313.507 3.452 0 40 DGAB COCc1c(C(=O)N[C@H](C)c2ccccn2)oc2ccccc12 29600369 GOKGMQJMILIDJY-GFCCVEGCSA-N 310.353 3.465 0 40 DGAB C[C@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C)CC1 174773500 OVEKEHTULRJJKX-OAHLLOKOSA-N 302.462 3.201 0 40 DGAB C[C@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 20399030 LBYVVKOKQWXDFB-NSHDSACASA-N 302.761 3.097 0 40 DGAB O=C(c1ccc(O)c(Cl)c1)N1CCCC[C@@H]1c1ncc[nH]1 78978686 YZOREQKSYMNSFX-GFCCVEGCSA-N 305.765 3.136 0 40 DGAB O=C(Nc1ccc(O)c(-c2nc3cnccc3o2)c1)C(F)(F)F 36357707 UWVHEHDCUNRIMM-UHFFFAOYSA-N 323.230 3.096 0 40 DGAB CCOc1ccc(CNS(=O)(=O)c2ccc(F)cc2C)cc1 74987164 ATWPYTWMRVGDKH-UHFFFAOYSA-N 323.389 3.011 0 40 DGAB O=C(Oc1ccc(CO)cc1)c1ccc(Br)cc1 216781156 AXDQZUQZKUTQGW-UHFFFAOYSA-N 307.143 3.161 0 40 DGAB CCC(=O)N[C@@H]1CCCN(Cc2cc(C)nc3ccccc23)C1 79309165 NFZNMQUIPWBASU-MRXNPFEDSA-N 311.429 3.034 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccs2)o1 22246056 RYZDNEZHPPTYKS-PWSUYJOCSA-N 311.428 3.285 0 40 DGAB CC(=O)Nc1ccc(CN[C@@H]2COc3c2ccc(C)c3C)cc1 78553845 ZCOWFHIERMMAGS-GOSISDBHSA-N 310.397 3.485 0 40 DGAB CC[C@@H](C)c1noc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 41123195 MYBGILCCIMUXAT-VXGBXAGGSA-N 303.362 3.196 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)Cc1nc(-c2ccc3c(c2)CCO3)no1 193728760 UYYCVKRYRUTFHA-SNVBAGLBSA-N 324.384 3.358 0 40 DGAB Cc1ccc(-c2nnsc2C(=O)NCCc2ccccc2)cc1 225773144 PTUHOTXWBRFVIG-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@H](C)C(=O)N[C@@H](C)CC 225169108 NSUHDTKPZRETJJ-QWHCGFSZSA-N 324.852 3.382 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)N[C@@H](C)CC 222622740 RBWDXVQCQXUZOG-DOTOQJQBSA-N 318.461 3.161 0 40 DGAB Cn1cc2c(n1)[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 96198010 ZKLRFJSACOTKCS-MRXNPFEDSA-N 317.458 3.008 0 40 DGAB COc1ccc(C(N)=O)cc1NC(=O)CC/C=C/c1ccccc1 96413789 YOEMVDSFGJHUHF-WEVVVXLNSA-N 324.380 3.226 0 40 DGAB CCSCc1ccnc(NC(=O)N(C)Cc2nccs2)c1 97372758 MZCKWEGNVZPZJI-UHFFFAOYSA-N 322.459 3.455 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)NCC(C)(C)C2=CCCC2)no1 333906311 VDFVJAQRKMPPBZ-AWEZNQCLSA-N 318.421 3.361 0 40 DGAB Cc1ccc(CN2CCCn3cnc(COC(C)C)c3C2)o1 96059047 ZMFULEXZUISHOZ-UHFFFAOYSA-N 303.406 3.115 0 40 DGAB COCCOc1ccc(CN2[C@H]3CC[C@H]2c2cccnc2C3)cc1 247903966 WNDZPERPKXUNAX-JXFKEZNVSA-N 324.424 3.369 0 40 DGAB c1ccc([C@H]2CN(Cc3ccnc4ccccc34)CCO2)nc1 257268563 MMGASCKGCDGIOG-LJQANCHMSA-N 305.381 3.203 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2 251218888 MGEIFWGOINWVLT-BYNSBNAKSA-N 303.402 3.157 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3cccs3)=NO2)C1 252515779 NIIBMPUBSRZPEX-OZVIIMIRSA-N 306.431 3.136 0 40 DGAB Cc1cccc(C[C@H]2CCCN(C(=O)Cc3cccs3)C2)n1 257219255 DGDXKAOVQQYXPY-OAHLLOKOSA-N 314.454 3.475 0 40 DGAB O=C(NCc1nccs1)[C@@H](c1ccncc1)C1CCCC1 585121474 QJERPUZIXGAFBD-OAHLLOKOSA-N 301.415 3.128 0 40 DGAB O=C(Nc1cccc(N2CCCC2)c1)C1(Br)CC1 585135477 LSDMNFUHJFMEFY-UHFFFAOYSA-N 309.207 3.153 0 40 DGAB Cn1ccc2ccnc(CC3CN(C(=O)CC4CCCC4)C3)c21 257310140 UDVDGHGDANXCQF-UHFFFAOYSA-N 311.429 3.155 0 40 DGAB O=C(NC1(C(=O)O)CCCCC1)c1cc(O)c2ccsc2c1 1601430084 AKZDREFQGSEHQZ-UHFFFAOYSA-N 319.382 3.124 0 40 DGAB Cc1nc(NC(=O)Nc2cc([C@H]3CCCOC3)[nH]n2)sc1C 282678745 LALIUSQGVDWKAT-JTQLQIEISA-N 321.406 3.021 0 40 DGAB O=C(NC1CCCCCCC1)[C@@H]1CCCN1C(=O)c1ccco1 45894447 WFEHIJLYSPCHCE-HNNXBMFYSA-N 318.417 3.113 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N3CCC[C@@H](C)C3)cc2)n1 61341706 KGWYQPCDDAUKSS-CQSZACIVSA-N 311.429 3.420 0 40 DGAB CC[C@H](C)CN(CC)C(=O)c1csc(-c2cnn(C)c2)n1 72312180 ARGUOBOVHKTXQB-NSHDSACASA-N 306.435 3.052 0 40 DGAB Cc1cc(C)c([N+]2=CN([C@H]3c4ccccc4C[C@H]3O)CC2)c(C)c1 1911936375 WIBJIOKDOHPCPU-CTNGQTDRSA-N 321.444 3.258 0 40 DGAB Cc1cnc(OC2CCN(Cc3c(F)cccc3F)CC2)nc1 653800641 PGMZORZJUTYMQJ-UHFFFAOYSA-N 319.355 3.107 0 40 DGAB COc1ccc([C@H](C)S(=O)(=O)c2ccccc2)cc1OC 5763318 QEFKREHPNMDMCB-LBPRGKRZSA-N 306.383 3.239 0 40 DGAB CC(=O)c1c(-c2ccccc2)c(-c2ccccc2)nn2nnnc12 5481236 DWWXANPJLSNFGK-UHFFFAOYSA-N 315.336 3.056 0 40 DGAB C[C@@H]1[N+]([O-])=C(c2ccccc2)C(c2ccccc2)=[N+]([O-])C1(C)C 18038334 FRZVWIVLNUCYNM-AWEZNQCLSA-N 308.381 3.166 0 40 DGAB O=C(C1CCCC1)N1CC[C@@H](c2nc(C3CCCC3)no2)C1 19014664 VCVGMVVTCDWHHM-CQSZACIVSA-N 303.406 3.233 0 40 DGAB O=C1C[C@H](NC2CCCCCCC2)C(=O)N1c1ccccc1 19372937 HHXVUBYMSSNJMC-INIZCTEOSA-N 300.402 3.021 0 40 DGAB COCCCN(Cc1ccccn1)Cc1c(F)cccc1F 19593270 NGJYBHHOZNYHEX-UHFFFAOYSA-N 306.356 3.399 0 40 DGAB Cc1ccsc1/C=C1\N=C(c2ccc3c(c2)OCO3)OC1=O 8179899 GGHGEBYDERQDLT-XFFZJAGNSA-N 313.334 3.130 0 40 DGAB Cc1ccc(-n2c(S[C@@H](C)C(N)=O)nc3ccccc32)cc1 4829690 LJJJXJHRWBLFKE-LBPRGKRZSA-N 311.410 3.300 0 40 DGAB COc1ccc(NC(=O)c2cc(C3CC3)ncn2)cc1Cl 1888860382 QGYHCSXRBLAFLN-UHFFFAOYSA-N 303.749 3.268 0 40 DGAB COc1cccc2c1OC(C)(C)[C@H]1CC3(CCNCC3)CO[C@H]21 953043721 DWLMKEKRKUHVPK-GOEBONIOSA-N 317.429 3.314 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1c(F)cccc1F 240276 NKPCKLAYMOOMCL-UHFFFAOYSA-N 316.263 3.062 0 40 DGAB CN(C)[C@@H](CNC(=O)Nc1ccc(F)cc1)c1ccsc1 22766857 SKXCHUCDPPPRDB-AWEZNQCLSA-N 307.394 3.312 0 40 DGAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2cnc(C)cn2)c1 40023502 OIKBKMACVRAHIW-UHFFFAOYSA-N 321.384 3.148 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2ccco2)cs1 40111367 FYFRFKHEGOXXRU-UHFFFAOYSA-N 300.339 3.421 0 40 DGAB O=C(c1ccccc1)N1CCN(c2nc3ccccc3s2)CC1 80839 AZFGGVGYUUFNQP-UHFFFAOYSA-N 323.421 3.259 0 40 DGAB Cc1cc2nc(C)c(CCC(=O)N(C)[C@H](C)C(C)C)c(C)n2n1 31716598 UBAWOLNWSDSDJL-CQSZACIVSA-N 316.449 3.090 0 40 DGAB Cc1ccc(NC2=C(Cl)C(=O)N(c3ccccc3)C2=O)cc1 118707 NEMGSIHUTSMFFY-UHFFFAOYSA-N 312.756 3.431 0 40 DGAB O=C(Nc1ccc(F)cc1)c1ccc(N2CCOC2=O)cc1 40523215 YNNHEKXLNWKNEY-UHFFFAOYSA-N 300.289 3.035 0 40 DGAB CCN(CC)C(=O)[C@H](C)n1nc(C(F)(F)F)c(Cl)c1C 2778974 HTJODZWBKSORPD-QMMMGPOBSA-N 311.735 3.293 0 40 DGAB O[C@H](c1ccccc1)[C@H](O)[C@H](c1ccccc1)N1CCCCC1 4742956 NVPXWDVMTNNNKE-XUVXKRRUSA-N 311.425 3.308 0 40 DGAB CCOc1ccccc1NC(=O)Cn1cc(C=O)c2ccccc21 6246999 DOEVJNLGEFSSCM-UHFFFAOYSA-N 322.364 3.491 0 40 DGAB CCCCCCNS(=O)(=O)c1cc(Cl)ccc1OC 22259103 HYUCXERQJBGLDK-UHFFFAOYSA-N 305.827 3.207 0 40 DGAB O=C(OCc1nnsc1Cl)c1cccc(-n2cccc2)c1 20994754 HNQZJMNBVUHXTN-UHFFFAOYSA-N 319.773 3.339 0 40 DGAB O=C(COC(=O)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2)c1ccc[nH]1 102412838 KYXMEAMGHDHIIZ-VDQHWBOFSA-N 321.804 3.318 0 40 DGAB Cc1nc2cc(N[C@H](C)C(=O)NCc3ccccc3)ccc2o1 21794684 HTCQTRWMCMLPJU-GFCCVEGCSA-N 309.369 3.253 0 40 DGAB CC(C)c1[nH]ncc1C(=O)OCC(=O)c1ccc2c(c1)CCC2 41691628 YFPBTZWPKWFJRC-UHFFFAOYSA-N 312.369 3.062 0 40 DGAB Cc1cc(N[C@@H]2CC3(CCC3)Oc3ccccc32)n2ncnc2n1 89598864 NHXSCYCTAZXYNW-CQSZACIVSA-N 321.384 3.291 0 40 DGAB O=C1CC2(CCN(C(=O)C3CC3)CC2)Oc2ccc(Cl)cc21 170494825 OGLWJVHBVOZIOP-UHFFFAOYSA-N 319.788 3.076 0 40 DGAB C[C@H](NC(=O)NCCCn1cnc2ccccc21)c1ccccc1 54046672 WWGRJIMDXUIKBV-HNNXBMFYSA-N 322.412 3.487 0 40 DGAB COc1ccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)cc1 816184 UZKCEWUQUCMZND-CYBMUJFWSA-N 313.353 3.187 0 40 DGAB COc1ccccc1/C=C/C(=O)N(C)Cc1ccccc1OC 22528543 JWJLITVZNDSHSQ-OUKQBFOZSA-N 311.381 3.376 0 40 DGAB Cc1noc(C)c1CN1CCC([C@@H](O)c2ccccc2)CC1 42634753 DTMBQJDCYHVTLC-SFHVURJKSA-N 300.402 3.237 0 40 DGAB CC(=O)c1ccc(SCC(=O)Nc2cccnc2)c(F)c1 24063535 HNFDAYFVEHLTCY-UHFFFAOYSA-N 304.346 3.154 0 40 DGAB Cc1cccc([C@@H](CC(=O)N[C@H](C)CCC(C)C)NC(N)=O)c1 24463462 IAMQPSBUHFLLIP-GDBMZVCRSA-N 319.449 3.035 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCN([C@H]2C[C@@H]3CC[C@@H]2C3)CC1 100635987 CSQIPDRJAUDPME-CPUCHLNUSA-N 318.848 3.286 0 40 DGAB CCO[C@@H](C)C(=O)Nc1ccc(-n2cnc3ccccc32)cc1 58431091 YYCGOQXNZGKEIF-ZDUSSCGKSA-N 309.369 3.389 0 40 DGAB C[C@@H](COc1ccccc1)NC(=O)Cc1ccccc1Cl 55729926 CCYIXHPIMMLDIO-ZDUSSCGKSA-N 303.789 3.466 0 40 DGAB COc1ccc(CN(C)C(=O)Nc2nnc(C3CC3)s2)cc1 43360310 PKPJWEFUMNFKNQ-UHFFFAOYSA-N 318.402 3.088 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1c(F)cccc1Cl 1400756 RYCYMPWGFGICTD-UHFFFAOYSA-N 305.692 3.207 0 40 DGAB CCc1nnc(NC(=O)c2oc(Br)cc2C)s1 107840018 MKBQBELMKXYDFT-UHFFFAOYSA-N 316.180 3.017 0 40 DGAB Cc1ccc(CN(C)Cc2cc(=O)oc3cc(O)ccc23)cc1 57332201 QBSYWXADMGNWKN-UHFFFAOYSA-N 309.365 3.439 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3C[C@@H](C)O[C@H](C)C3)sc2n1 10091838 PNXNBDGJXHVFJR-VXGBXAGGSA-N 318.442 3.471 0 40 DGAB O=C([C@@H]1CC=CCC1)N1CCC[C@@H]1c1nnc2n1CCCCC2 44913447 XBQVCAXJRHPSEG-HUUCEWRRSA-N 314.433 3.024 0 40 DGAB COc1cccnc1NC(=O)Cc1ccc(-n2cccc2)cc1 58423331 LNTLIGVRBLFPGA-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB CCc1nnc(COc2ccc(C(=O)c3ccccc3)cc2)o1 12552134 SHIGVEIEJHCXHQ-UHFFFAOYSA-N 308.337 3.442 0 40 DGAB O=C(COC(=O)CCSc1ccccc1)Nc1ccccc1 3266335 HCVAKPQXNAEWAI-UHFFFAOYSA-N 315.394 3.351 0 40 DGAB CCCc1cc(=O)oc2cc(OCC(=O)OC(C)(C)C)ccc12 3200518 ZRRPZIIAOBSZHR-UHFFFAOYSA-N 318.369 3.466 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)cc1 3317941 YEHAMRRVWZVYFE-AWEZNQCLSA-N 309.365 3.130 0 40 DGAB CN(Cc1ccco1)C(=O)Nc1ccc(Cn2cccn2)cc1 69201285 RLLVSRFFERMKPS-UHFFFAOYSA-N 310.357 3.188 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CNC(=O)c2ccc3ccccc3c2)C1 12868303 GWPJSWWQFNSGGS-HUUCEWRRSA-N 324.424 3.074 0 40 DGAB OC1CCN(CC/C=C/c2ccc(Br)cc2)CC1 70039192 QGCOSZGHZGYFHP-HNQUOIGGSA-N 310.235 3.309 0 40 DGAB COc1ccc(NC(=S)NCCCN2CCCCCC2)cc1 61246998 FHEHEBCXJYZLHD-UHFFFAOYSA-N 321.490 3.248 0 40 DGAB O=c1cc(CN2CCC[C@@H]2c2cccs2)nc2sccn12 8315976 DSAGKZHKVPRBDL-GFCCVEGCSA-N 317.439 3.155 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)NCc2cnc(C)s2)cc1 96419253 YGPQARQAHOPCNX-JTQLQIEISA-N 322.455 3.257 0 40 DGAB O=C(NCCc1ccco1)N[C@@H](c1ccccc1)c1ccncc1 69656405 PJOXGRODOHIGIL-SFHVURJKSA-N 321.380 3.306 0 40 DGAB CS(=O)(=O)Nc1ccc(-c2csc(-c3ccoc3)n2)cc1 69631852 WZZOTSHSVYXFAM-UHFFFAOYSA-N 320.395 3.442 0 40 DGAB CC(C)Nc1nc(Nc2cccc(F)c2)nc(NC(C)C)n1 5255792 KEKMFEQMGSKXSV-UHFFFAOYSA-N 304.373 3.395 0 40 DGAB C[C@H](OC(=O)c1cccc2ccccc12)C(=O)NCc1ccco1 4836644 GLKPQZXKDQRORJ-ZDUSSCGKSA-N 323.348 3.295 0 40 DGAB CCNc1nc(Nc2cccc(Cl)c2)c2cnn(C)c2n1 6941326 PVBGGWZBTICWJP-UHFFFAOYSA-N 302.769 3.192 0 40 DGAB COc1ccc(C(C)=O)cc1CSCC(=O)N[C@H](C)C(C)C 7094765 YCWMADWQKKFSAC-GFCCVEGCSA-N 323.458 3.292 0 40 DGAB CC[C@H](NC(=O)c1ccc2c(c1)OCCO2)c1nc(C)cs1 71856461 OUGBVFIPQMNGCZ-LBPRGKRZSA-N 318.398 3.104 0 40 DGAB Fc1cc(F)cc(NC2CCN(Cc3ccncc3)CC2)c1 97082125 KEKZFULVOZCUOP-UHFFFAOYSA-N 303.356 3.436 0 40 DGAB CC(C)N1CCC[C@@H](Cc2cnc(Br)cn2)CC1 72343856 BGDSKTCHPQLOLN-GFCCVEGCSA-N 312.255 3.292 0 40 DGAB COc1ccc(C)cc1NC(=O)CCc1ccc(C(=O)O)cc1 95424270 XHJRYTIBAGSHAD-UHFFFAOYSA-N 313.353 3.273 0 40 DGAB C[C@H](NC(=O)c1cc2cc(F)ccc2s1)C1=CCN(C)CC1 95469067 GDRDVDRGKQSCFU-NSHDSACASA-N 318.417 3.421 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)NCCCF)c2cccnc2)cc1 95425817 LWHDTMQCMVJNGW-QGZVFWFLSA-N 315.392 3.333 0 40 DGAB C[C@H](CSC(C)(C)C)NC1CCN(C(=O)c2ccco2)CC1 95419935 XFWKWHBZMXEEOX-CYBMUJFWSA-N 324.490 3.394 0 40 DGAB Cc1c(F)cccc1NC(=O)[C@@H]1CCCN1C(=O)OCC(C)C 409183678 RYWIXMLMFUJBBI-HNNXBMFYSA-N 322.380 3.330 0 40 DGAB Cc1cccc([C@@H](C)N[C@H]2CCCN(C(=O)N3CCCC3)C2)c1 507213839 PPAFXYMMINFDJR-AEFFLSMTSA-N 315.461 3.326 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H](NC(=O)OC(C)C)C(C)C)cc1 2526774 NWUWYYSKZYIQAE-ZBFHGGJFSA-N 320.433 3.331 0 40 DGAB biogenic,in-vitro CC(C)OCCCNC(=O)Cn1ccc2ccc(Cl)cc21 32090081 WRXCNAKGKAICPE-UHFFFAOYSA-N 308.809 3.226 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCSCc1ccccc1 39977897 MGHSPLMLGAPYAX-UHFFFAOYSA-N 303.402 3.418 0 40 DGAB CC[C@H](NC(=O)c1cc(C)n[nH]1)c1nc(C(F)(F)F)cs1 73279676 NUUXDAXDBJPRPB-ZETCQYMHSA-N 318.324 3.075 0 40 DGAB CCC(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384758 PVTUAEDVNPZUDS-LBPRGKRZSA-N 302.403 3.355 0 40 DGAB CCCOc1ccc([C@H](C)NC(=O)c2ccccn2)cc1OC 48364308 LVINDUSQIYKCPL-ZDUSSCGKSA-N 314.385 3.370 0 40 DGAB Cc1ccccc1Cc1nc(COc2nc(C(C)C)no2)no1 83092267 CIJAPTURDGZSLK-UHFFFAOYSA-N 314.345 3.054 0 40 DGAB O=C(Cc1ccc(Cl)cc1F)NCCCOC1CCCC1 225198064 MHGYEGZJRDMTST-UHFFFAOYSA-N 313.800 3.487 0 40 DGAB CCCCNC(=O)c1cn(-c2cccc(C(F)(F)F)c2)cn1 226751254 JRWWWEARISNMEX-UHFFFAOYSA-N 311.307 3.421 0 40 DGAB COCCNC(=O)c1ccc(Nc2cc(C)ccc2C)c(N)c1 225418946 ISBJGURBMHADJG-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB Cc1cn(-c2ccccc2)nc1OCC(=O)NC1CCCCC1 226852193 MNUDLGXENAVSAI-UHFFFAOYSA-N 313.401 3.008 0 40 DGAB CCOc1cc(NC(=O)Nc2cc(Cl)ccc2OC)ncn1 75166480 SQGCZTUMIPGBCX-UHFFFAOYSA-N 322.752 3.181 0 40 DGAB CC(C)n1cc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)cn1 226749515 PQJNDMNWHGDLMQ-OAHLLOKOSA-N 318.402 3.047 0 40 DGAB CCCOc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1 192679470 OZRKEYHBSIOAKK-XJKSGUPXSA-N 318.417 3.109 0 40 DGAB COc1cccc([C@H](C)CC(=O)N(C)c2cccnc2OC)c1 84549612 BNNYQMALHKMVOF-CYBMUJFWSA-N 314.385 3.255 0 40 DGAB COc1ccc([C@@H]2CC[C@H](C(=O)O)N2C(=O)OC(C)(C)C)cc1 98095671 PLHOSPLRVLUAEX-UONOGXRCSA-N 321.373 3.220 0 40 DGAB FC(F)(F)[C@@H](OC[C@@H]1CO1)c1cccc(Br)c1 95095933 ZKNNSXCHTDBVTE-UWVGGRQHSA-N 311.097 3.468 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@H]3C2)s1 96053734 JYSXYYBSSDLCQK-IRXDYDNUSA-N 313.470 3.015 0 40 DGAB c1cc(-c2noc([C@@H]3CCCN3C3CCOCC3)n2)cs1 97103458 FDTKMWGZGAKDFS-ZDUSSCGKSA-N 305.403 3.114 0 40 DGAB FC(F)(F)c1cccc(Br)c1N1CCOCC1 95081255 YHNZUKXSLVHDEN-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(Cc2c(C)nc3sccn23)C1 257329080 XIHZYIMTJFABDO-ZDUSSCGKSA-N 315.446 3.115 0 40 DGAB Cc1ccc(-c2ccc(C(=O)NCCCN(C)C)c(C)n2)cc1 257173029 ARJXDOYSFYWPAZ-UHFFFAOYSA-N 311.429 3.047 0 40 DGAB COC(=O)C[C@H]1CC[C@H]2[C@H](O1)c1ccc(OC)cc1OC2(C)C 257286307 PLBZPRYUXJNOOL-HACGYAERSA-N 320.385 3.266 0 40 DGAB O=C(Nc1ccc(NCc2cnc[nH]2)cc1)N1CCCCCC1 585117684 RNUZTDDSDYZPMM-UHFFFAOYSA-N 313.405 3.430 0 40 DGAB O=C(N[C@H](c1ccccc1)c1ccc(F)cc1)C12CCN(CC1)C2 585121191 IEPKMXIYBMSXID-GOSISDBHSA-N 324.399 3.127 0 40 DGAB C[C@@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(C(=O)O)co1 262809460 PAMFJRPVOOTGCO-NXEZZACHSA-N 317.316 3.265 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3CCO[C@@H]4CCC[C@H]43)cs2)o1 56197914 NUOPLGPIOQPSKI-CHWSQXEVSA-N 318.398 3.105 0 40 DGAB CCOc1ccc(NC(=O)N(C)C[C@@H]2CCCO2)cc1Cl 69032567 IMXQMBJYAONEJO-LBPRGKRZSA-N 312.797 3.381 0 40 DGAB COc1ccc(C)cc1CN[C@@H](C)c1nnc2n1CCCCC2 71798584 ZQWJMPHCIVWRJC-AWEZNQCLSA-N 314.433 3.172 0 40 DGAB COC(=O)c1cccc(NC(=O)Nc2cccc(OC)c2)c1 5880462 DLYIEOXPSDOONY-UHFFFAOYSA-N 300.314 3.126 0 40 DGAB O=C1CSC2=NCN(c3ccc(-c4ccccc4)cc3)CN12 5446806 BQRPYIUTQSTJNO-UHFFFAOYSA-N 309.394 3.020 0 40 DGAB Cc1csc2nc(CNc3cc(Cl)ccc3F)cc(=O)n12 11723979 WDJKGWNDHSIMAM-UHFFFAOYSA-N 323.780 3.469 0 40 DGAB CC(C)CC(=O)NC(=S)Nc1cccc2c(O)cccc12 17030844 WCBOVTBWKNAXGL-UHFFFAOYSA-N 302.399 3.405 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)N[C@@H](C)Cc2ccccn2)cc1C 19214192 QSPRVNHLOWYRKE-JKSUJKDBSA-N 312.413 3.213 0 40 DGAB CCCCCC(=O)NC(=S)Nc1ccc(C(=O)O)cc1C 226353654 YOLQENYRMSNALN-UHFFFAOYSA-N 308.403 3.087 0 40 DGAB O=S(=O)(Nc1ccncc1Cl)c1ccc(Cl)cc1 3422914 DOZRPZWHDLCANT-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB Cc1cccc(-c2nc(CSc3nnc(C)s3)no2)c1 32325810 KSPVXVIVULNZAB-UHFFFAOYSA-N 304.400 3.497 0 40 DGAB Cc1nc(N2CCN(C)CC2)c2cc(-c3ccccc3)sc2n1 2624654 RYIOABQQQQKPKS-UHFFFAOYSA-N 324.453 3.419 0 40 DGAB O=C(NC[C@@H]1COc2ccccc2C1)c1ccc2ccccc2n1 28072454 DGDVSNLISZAEOR-CQSZACIVSA-N 318.376 3.216 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NCc2cccnc2OC(C)C)o1 40120827 DQUJNOHABYMBLC-CYBMUJFWSA-N 317.389 3.331 0 40 DGAB O=C(CSc1ncccc1C(=O)O)Nc1ccccc1Cl 217947 QBKSSTOECAIKJL-UHFFFAOYSA-N 322.773 3.164 0 40 DGAB Cc1cc(N2CCCC2)nc(SCC(=O)c2ccccc2)n1 422139 IFTINVNLGQEZBR-UHFFFAOYSA-N 313.426 3.360 0 40 DGAB Cc1ccc(C(=O)NC(=S)N2CCCc3ccccc32)cc1 512839 APMUJMQWHZSUOI-UHFFFAOYSA-N 310.422 3.463 0 40 DGAB O=C(Nc1ccc(Cl)cn1)c1cncc(Br)c1 1513090 CVDZQBYRGXBBOT-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB CN(C)CCC[C@@]12O[C@@H](c3ccccc31)[C@@H](O)c1ccccc12 1565240 QYDFQGAINLZXRW-UFYCRDLUSA-N 309.409 3.390 0 40 DGAB Cc1ccc(CN2CCC(C(=O)N3CCC[C@H](C)C3)CC2)cc1 317574 JJLDYVZWOAOWPK-KRWDZBQOSA-N 314.473 3.466 0 40 DGAB C[C@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(N)=O)c1 32841866 JZISBZMQUPIOJR-LLVKDONJSA-N 315.348 3.150 0 40 DGAB Cc1cc(C)n2c(SCCOc3ccc(F)cc3)nnc2n1 6325912 UWPGUIISQPTQGH-UHFFFAOYSA-N 318.377 3.051 0 40 DGAB Cc1ccccc1CC(=O)N[C@H]1CCCN(Cc2ccccc2)C1 32912076 LJFFNYFYZPQURZ-FQEVSTJZSA-N 322.452 3.318 0 40 DGAB Cc1cccc(C(C)C)c1NC(=O)CN1C[C@@H](C)O[C@H](C)C1 21821865 GNLSBPLMFFANHK-HUUCEWRRSA-N 304.434 3.166 0 40 DGAB C[C@H](NC(=O)Cn1nc(C(F)(F)F)cc1C1CC1)C(C)(C)C 2781645 UDZHWRUBEAQIPB-VIFPVBQESA-N 317.355 3.330 0 40 DGAB CCN(C)C(=O)NCc1csc(CCc2ccccc2)n1 83752252 MRTNETGYWRGLEM-UHFFFAOYSA-N 303.431 3.090 0 40 DGAB COC1CCN(C(=O)c2c(-n3cccc3)sc(C)c2C)CC1 41850485 RUQPAMDRCJDBHG-UHFFFAOYSA-N 318.442 3.407 0 40 DGAB Cc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccc(F)cc3)c2n1 12396051 MAMLPLZJXWNSNN-UHFFFAOYSA-N 311.316 3.444 0 40 DGAB O=C(NCc1nc(C2CC2)no1)Nc1cccc(Cl)c1F 47362633 VHLQFSLUMBTTJK-UHFFFAOYSA-N 310.716 3.061 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NC[C@@H](c1ccco1)N1CCCC1 105681194 CNHHEWMLNBUHNO-NXOAAHMSSA-N 316.445 3.359 0 40 DGAB CC(=O)Nc1cccn(Cc2c(Cl)cccc2Cl)c1=O 3041629 KWEYNWDEWJCLQU-UHFFFAOYSA-N 311.168 3.162 0 40 DGAB CCOC(=O)n1c(=O)n(Cc2ccccc2C)c2ccccc21 1397812 UOTGZPUUWZHWEV-UHFFFAOYSA-N 310.353 3.164 0 40 DGAB O=C(NCC1(c2cccc(F)c2)CCOCC1)c1cccs1 55450833 YVEFHIJRCJJGNS-UHFFFAOYSA-N 319.401 3.365 0 40 DGAB CCCNC(=O)C12C[C@@H]3C[C@H](CC(Br)(C3)C1)C2 100872772 WLAMJXDZSGSEPW-BCVKRFQSSA-N 300.240 3.247 0 40 DGAB COCCN(Cc1cccs1)C(=O)N[C@H](C)c1cccnc1 43788736 SGRKCMPVRACWOK-CYBMUJFWSA-N 319.430 3.062 0 40 DGAB CONC(=O)c1ccccc1-c1ncc(-c2ccc(F)cc2)o1 25827274 VFPWZYCMQPBKJS-UHFFFAOYSA-N 312.300 3.439 0 40 DGAB Cc1cn2c(CNCCCN3CCCC[C@@H]3C)c(C)nc2s1 78778108 XMLPWAZKZOOGOK-ZDUSSCGKSA-N 320.506 3.367 0 40 DGAB Cc1cccc(NC(=O)COC(=O)/C=C/c2ccccc2)c1C 1993417 DVVFFHMRDCAWPT-VAWYXSNFSA-N 309.365 3.499 0 40 DGAB Fc1ccc(OCCN2CCO[C@H](c3ccc(F)cc3)C2)cc1 44736250 SHYFTNQNGSOVRM-SFHVURJKSA-N 319.351 3.417 0 40 DGAB COc1ccccc1OCC(=O)Nc1cc(-c2ccccc2)no1 27664316 PFOIYKRJPNKWRE-UHFFFAOYSA-N 324.336 3.368 0 40 DGAB CCC(=O)N1CCCC[C@@H]1C(=O)N[C@@H](C)c1cc(C)sc1C 58263771 UFSMLAOWLDBNTC-SWLSCSKDSA-N 322.474 3.333 0 40 DGAB CN(C(=O)c1ccc(-n2cccn2)nc1)C1CCCCCCC1 58266849 XXKSPWGBMBBITO-UHFFFAOYSA-N 312.417 3.452 0 40 DGAB C[C@@H](NC(=O)NCc1ccccc1Cn1ccnc1)c1ccco1 44966703 JVGGBVXTLOTAFE-CQSZACIVSA-N 324.384 3.085 0 40 DGAB CCOc1cccc2sc(NCCCn3ccnc3)nc12 36657643 UHOOFTBPMBXTSI-UHFFFAOYSA-N 302.403 3.394 0 40 DGAB Cc1cc2ccccc2n1CC(=O)N1CCC[C@@H](n2ccnc2)C1 69967599 NGZAYWFWRDGZKZ-QGZVFWFLSA-N 322.412 3.010 0 40 DGAB CCN(CC)C(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O 11596814 DHPSTAISBNYZNX-LBPRGKRZSA-N 312.822 3.011 0 40 DGAB CC(=O)Nc1ccc(O[C@@H](C)c2nc(C(C)(C)C)no2)cc1 69968697 ABZNZAMPHNAYHB-JTQLQIEISA-N 303.362 3.466 0 40 DGAB Cc1ccc(CC(=O)N2CCCCC[C@@H]2c2cccn2C)cn1 70679627 GYMZHYQSDYJRCU-GOSISDBHSA-N 311.429 3.415 0 40 DGAB COc1ccc(C(=O)Nc2nc3c(s2)CCCCC3)cn1 12829271 WLXWDIAHBPUKRC-UHFFFAOYSA-N 303.387 3.068 0 40 DGAB Cc1ccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)cc1 12867350 RQDPCAFGZBMTRP-IBGZPJMESA-N 308.425 3.447 0 40 DGAB CC(C)CCN1Cc2cccc(NC(=O)[C@@H]3CCCO3)c2C1 62640017 OWCDQLRPFNIXEL-KRWDZBQOSA-N 302.418 3.166 0 40 DGAB CCOc1ccccc1NC(=O)CC1(C(=O)O)CCCCC1 8705534 UAUOWLZDMUENIF-UHFFFAOYSA-N 305.374 3.449 0 40 DGAB Cc1nnc(CSc2ncnc3sc4c(c23)CCC4)o1 6112357 HZPOCFOVCSROBX-UHFFFAOYSA-N 304.400 3.164 0 40 DGAB c1ccc(CN2C[C@]3(CCN(CC4CC4)C3)c3ncccc32)cc1 306138956 SLRUUDTYFCSXFC-OAQYLSRUSA-N 319.452 3.455 0 40 DGAB Cc1cccc([C@H](NC(=O)c2c[nH]c(C)cc2=O)C(F)(F)F)c1 96004710 HVNWCFHFJDHGGM-AWEZNQCLSA-N 324.302 3.025 0 40 DGAB CC(C)[C@@H](NC(=O)C(c1ccccc1)c1ccccc1)C(=O)O 6884338 FUPWHHXDOFSBKX-QGZVFWFLSA-N 311.381 3.044 0 40 DGAB Cc1cccc(OCC(=O)N[C@H]2CCOc3ccccc32)c1C 7216452 JOPQBSPLQHEHFS-INIZCTEOSA-N 311.381 3.322 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCCO2)N1CCCc2ccccc21 7737091 QRVVSAUGUKDBJO-CSKARUKUSA-N 321.376 3.450 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1ccccc1Cl 9478253 YQTZTAVCCPBCLO-LBPRGKRZSA-N 319.788 3.432 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)c2ccccc2)cc1F 8259594 VYLLQUQORZIXOW-CYBMUJFWSA-N 315.344 3.168 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)Nc1ccc(OC)cc1 20110389 UOWNEIBLJUTGIL-QGZVFWFLSA-N 315.369 3.500 0 40 DGAB COc1cc(CN(C)[C@@H](C)c2nnc(C)o2)ccc1SC 69417370 PBPOBUBWFXBJIG-JTQLQIEISA-N 307.419 3.302 0 40 DGAB CN(C[C@H](O)c1ccc(F)cc1)c1ncnc2ccsc12 69600647 QFDWPBHONDJSOF-ZDUSSCGKSA-N 303.362 3.000 0 40 DGAB CCC1(CNC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CCC1 84165629 CHSJBYZNBULPQJ-MRXNPFEDSA-N 320.408 3.489 0 40 DGAB Cc1nnc(-c2ccccc2C(=O)O[C@@H](C)c2nccs2)o1 97056104 PHRBVUCIBWHKNX-VIFPVBQESA-N 315.354 3.420 0 40 DGAB O=C(N[C@H](c1cccc(F)c1F)C(F)(F)F)C1=COCCC1 97085870 BUQKSFPLZGJYNW-GFCCVEGCSA-N 321.245 3.379 0 40 DGAB CSC[C@H](C)C(=O)NC[C@H](O)c1cc(Cl)cc(Cl)c1 72288000 HOGKTBOMIWSJJH-UFBFGSQYSA-N 322.257 3.142 0 40 DGAB CCc1cnccc1C(=O)N(C)c1ccc(Br)cn1 97109760 QFDMSBZTDJRDSB-UHFFFAOYSA-N 320.190 3.078 0 40 DGAB CCOc1ccc(NC(=O)c2cnc(C(C)C)s2)cc1CO 95447810 NAAOKHFRUVDDJI-UHFFFAOYSA-N 320.414 3.410 0 40 DGAB O=C(Nc1ccc(-n2ncc3ccccc32)cc1)c1cnns1 95987059 SRUTWTKYVRXDII-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB O=C(O)c1ccc(CNC(=O)C2(Cc3ccccc3)CCC2)o1 95989529 MEJZMXPVRSEJIE-UHFFFAOYSA-N 313.353 3.007 0 40 DGAB Cc1ccsc1C(=O)N(CCN(C)C)Cc1cccs1 75108238 VFNYBNRQVVXSNF-UHFFFAOYSA-N 308.472 3.322 0 40 DGAB COc1ccc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cn1 32771492 LQVVILRGXPARSX-UHFFFAOYSA-N 322.364 3.297 0 40 DGAB Cc1nc(SCc2nc(O)c3ccccc3n2)nc2c1CCC2 408580156 APWACZAGRGVFSZ-UHFFFAOYSA-N 324.409 3.215 0 40 DGAB Cc1ccc(-c2nc(N3CCCC3)ncc2-c2cc(C)no2)cn1 72337267 DDDVATCENBGNAC-UHFFFAOYSA-N 321.384 3.411 0 40 DGAB O=C(NCc1cccs1)C(O)(c1ccccc1)c1ccccc1 78230538 CWVPRRNRBYYQCD-UHFFFAOYSA-N 323.417 3.300 0 40 DGAB O=C(Nc1cccc(-n2cnnc2)c1)c1cc2ccccc2o1 31376791 GNJHDMRVKYJFBW-UHFFFAOYSA-N 304.309 3.266 0 40 DGAB CC(C)Cc1noc(C2CCN(C(=O)c3cccs3)CC2)n1 41123117 FJFVPRAMLDZTGP-UHFFFAOYSA-N 319.430 3.349 0 40 DGAB O=C(c1cc2cc(Cl)ccc2oc1=O)N1CCCCCC1 226041841 UEVAYNRDDMYZTB-UHFFFAOYSA-N 305.761 3.463 0 40 DGAB O=C(N[C@@H]1CCC[C@@H](O)C1)C1c2ccccc2Oc2ccccc21 75156755 BOLFTIVDHITOFN-ZIAGYGMSSA-N 323.392 3.344 0 40 DGAB O=C(c1cc(C2CC2)on1)N(Cc1ccccn1)Cc1ccco1 75170145 GSMQWYFRMNXOOH-UHFFFAOYSA-N 323.352 3.383 0 40 DGAB Cc1ccc(C)c(NC(=O)Cn2ccc(=O)c3ccccc32)c1 225718265 BMDRESNVYLJVCR-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB Cc1noc(C)c1[C@H](C)CC(=O)Nc1cc(C(=O)O)cs1 191384994 YHGOEORKFDIHHY-SSDOTTSWSA-N 308.359 3.183 0 40 DGAB O=C(NCC[C@@H](O)c1ccco1)NCc1cccc2ccccc12 77112964 JHWULUBSZOSIFT-QGZVFWFLSA-N 324.380 3.356 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2c(C)nc3ccc(C)cn23)cc1 223148934 UISMRLPBUAKNKJ-CYBMUJFWSA-N 323.396 3.451 0 40 DGAB Cc1cc([C@@H](C)NC(=O)CCOC2CCOCC2)c(C)s1 84524736 NMHDTUZNFNDLPU-GFCCVEGCSA-N 311.447 3.128 0 40 DGAB CCN(C(=O)Cc1ccc2c(c1)CCCO2)c1cccnc1C 573848545 CJIBWCMEXYLDIS-UHFFFAOYSA-N 310.397 3.311 0 40 DGAB CCS[C@H]1CC[C@@H](NCc2cn(C)nc2-c2ccncc2)C1 96494383 IOQDONBRAXOLRI-CVEARBPZSA-N 316.474 3.246 0 40 DGAB COc1ccc2c(c1)OC(C)(C)CN([C@@H](CC(C)C)C(=O)O)C2 576769440 RFZCMQHSGALIFL-HNNXBMFYSA-N 321.417 3.168 0 40 DGAB N[C@H](c1ccccc1)c1n[nH]c(COc2ccc(Cl)cc2)n1 95533383 KYMRWCOBVITEBW-OAHLLOKOSA-N 314.776 3.085 0 40 DGAB Cc1cccc([C@H]2CCCN2C(=O)COC[C@H]2CCCO2)c1C 96423794 OCRFWUWGNPOBDH-SJLPKXTDSA-N 317.429 3.163 0 40 DGAB Cc1ccc(CN2CC3(C[C@H](Oc4cccnc4)CS3)C2)o1 248126190 WZGQHRNMTWLQRB-INIZCTEOSA-N 316.426 3.122 0 40 DGAB c1cncc(CN2CCCC[C@H]2c2nnc(-c3cccnc3)o2)c1 257291146 QFVNEEJZWRQWIR-INIZCTEOSA-N 321.384 3.254 0 40 DGAB C[C@@H]1C[C@H](C(=O)Nc2ccccc2Nc2ccccc2)CC(=O)N1 543582528 RQRCTVIYDKIYGH-KGLIPLIRSA-N 323.396 3.283 0 40 DGAB CC(C)[C@H]1O[C@H]2c3cc(O)ccc3OC(C)(C)[C@@H]2C[C@H]1C(=O)O 257215577 CQSMVPLIPAUIDT-XOUADPBQSA-N 320.385 3.366 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](c1ccccc1)[C@@H](O)C(F)(F)F 261508149 PZVPCYIOYOTOEP-WDEREUQCSA-N 305.296 3.176 0 40 DGAB Cc1noc(NC(=O)c2cnc(-c3ccccc3Cl)s2)n1 51374862 LHOKYGOSQYWMOX-UHFFFAOYSA-N 320.761 3.407 0 40 DGAB C[C@H](C(=O)NCc1cccc(COC(C)(C)C)c1)n1ccnc1 69490489 WFOMFBSSDBPFQR-CQSZACIVSA-N 315.417 3.076 0 40 DGAB Cc1cccc(CCC(=O)Nc2ccc3[nH]c(=O)sc3c2)c1 72307870 KOIQGKISESKGPW-UHFFFAOYSA-N 312.394 3.469 0 40 DGAB CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl 3300759 CHIFYADDVQIUFI-UHFFFAOYSA-N 301.717 3.047 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2cc(-c3ccccc3C)nn2C)c1 74286493 NFTGQQWECMMBES-UHFFFAOYSA-N 322.368 3.179 0 40 DGAB Nc1cc(F)cc(C(F)(F)F)c1I 169798177 NOSSIGMSBHCZDS-UHFFFAOYSA-N 305.012 3.031 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccccc2F)c(OC)c1 147330 PCVBCXFLTKTEAR-CSKARUKUSA-N 301.317 3.495 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCOc1ccc(C)cc1 5704187 MSWRBVHNOVVIQI-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB O=c1[nH]c(Nc2cccc(Br)c2)nc2c1CCCC2 11903450 JCGHIWQTLXJYHC-UHFFFAOYSA-N 320.190 3.155 0 40 DGAB CCC(=O)c1ccc(OC[C@@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 16739465 WKLGIIULCGMLEB-UXLLHSPISA-N 319.445 3.282 0 40 DGAB CSc1ccc(C(=O)N2CC(Cn3cc(Cl)cn3)C2)cc1 1848598986 FNFVFFALESRXAL-UHFFFAOYSA-N 321.833 3.031 0 40 DGAB CC(C)c1ccc([C@@H](C)NC(=O)COC(=O)C2CCC2)cc1 14139237 MGSTXSHUGRTQTN-CYBMUJFWSA-N 303.402 3.331 0 40 DGAB COc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 29394761 BJSYBBZRKHLRFB-UHFFFAOYSA-N 323.396 3.159 0 40 DGAB Cc1ccccc1COC(=O)c1nnn(-c2ccccc2)c1C 12415584 UGBSVGLCPWHPEB-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB O=C(/C=C/c1ccccc1)N1CC(COc2ccc(F)cc2)C1 225560632 CHLRWSJCGNKLHB-IZZDOVSWSA-N 311.356 3.376 0 40 DGAB Cc1nc(CN2CCC(O)(c3ccc(Cl)cc3)CC2)co1 1206041722 WWLKCADJIVUATL-UHFFFAOYSA-N 306.793 3.120 0 40 DGAB CCOCc1ccccc1CNC(=O)Cc1ccc(OC)cc1 30179491 FTQIHOQNOSRFSL-UHFFFAOYSA-N 313.397 3.091 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3CC2)cc1 100174694 LXKDCMXDCMYIEL-PYTWLRIVSA-N 311.381 3.177 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)O)cc1 144468 LVTJEOZORQRCOE-HUUCEWRRSA-N 305.374 3.303 0 40 DGAB C[C@H](Oc1ccc2c(=O)cc(-c3ccccc3)oc2c1)C(=O)O 1620112 DSSCQSMLZSNTGR-NSHDSACASA-N 310.305 3.312 0 40 DGAB CCCCC(=O)Nc1ncc(I)cc1C 2052682 KIWALTCBENMFFF-UHFFFAOYSA-N 318.158 3.123 0 40 DGAB Cc1ccccc1N1CCN(C(=O)Nc2ccccc2F)CC1 386892 NZQDWYCBOBMARP-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB CCOc1cc(C)c(C)cc1S(=O)(=O)NCc1ccccc1 384719 YFCNMXJWALRGBR-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB O=S(=O)(NCc1ccccc1)c1ccc(Cl)cc1Cl 3278551 WTNICJUHOYMCGH-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB CCCCC1=NN(C(=O)c2ccccc2)[C@](O)(C(F)(F)F)C1 4104578 HOHBDZSAXQWNPP-CQSZACIVSA-N 314.307 3.330 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C)[C@H](C)c2ccc(F)cc2)cs1 32826260 QVIWMKVUZBIJLY-SECBINFHSA-N 321.377 3.074 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1-n1cccc1 32879962 FWGBSYLEUSNATB-UHFFFAOYSA-N 319.364 3.137 0 40 DGAB O=C(Nc1ccc(N2CCCCC2)nc1)c1cccnc1S 32889591 ZCYGXSUJVKULAY-UHFFFAOYSA-N 314.414 3.008 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@H]1COc2ccccc2O1 7107204 KFSNEHFJFJOLEH-GOSISDBHSA-N 324.380 3.065 0 40 DGAB COc1ccc(-c2noc(-c3cc(=O)[nH]c4ccccc34)n2)cc1 21774785 YCNGUDPTVUWRKE-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB Cc1cccc(N[C@H](C)C(=O)NCCc2ccc(F)cc2)c1 57993634 AEYKOCAIMVGDMA-CQSZACIVSA-N 300.377 3.293 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)NCCC2CCCC2)c(C)c1 8333273 SPWTUSTXVCLLQV-UHFFFAOYSA-N 302.418 3.247 0 40 DGAB Cc1cc(CNc2cc(F)ccc2OC[C@H]2CCCO2)no1 71886589 HNQFJAWWPBEGSS-CQSZACIVSA-N 306.337 3.292 0 40 DGAB C[C@H](c1cccs1)N(C)CCS(=O)(=O)c1ccccc1 53814032 PJUSWKNJXKJIFB-CYBMUJFWSA-N 309.456 3.215 0 40 DGAB Cn1ccnc1[C@H](NCc1ccsc1)c1cccc(F)c1 42204356 DSHVEBHWHNWATM-OAHLLOKOSA-N 301.390 3.500 0 40 DGAB CO[C@@H](C(=O)NC[C@@H]1CCOc2ccccc21)c1ccccc1 108736112 MMWBKXSMTKOMHM-MAUKXSAKSA-N 311.381 3.057 0 40 DGAB O=C(NCCc1cccs1)c1c[nH]nc1-c1ccc(F)cc1 12538525 XRAWJAOSWDTJGT-UHFFFAOYSA-N 315.373 3.250 0 40 DGAB CCCCNC(=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 57915988 JGXOZBARRBCQDQ-UHFFFAOYSA-N 322.714 3.214 0 40 DGAB Cc1cccc(OCCNC(=O)CNc2ccc(F)cc2C)c1 24040729 SRBGICIMEMFKBT-UHFFFAOYSA-N 316.376 3.050 0 40 DGAB CCOCCCC(=O)N1CCC(Nc2ccccc2F)CC1 76041613 RJWIFMKNXPNOGG-UHFFFAOYSA-N 308.397 3.045 0 40 DGAB CCOc1ccc(NC(=O)c2cnn(-c3ccccc3)n2)c(C)c1 55805493 OYRDZEZWIMIMDU-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=C1c2ccccc2C(=O)N1OCc1cccc(Cl)c1F 1397333 LHPLAVSEMFIJOR-UHFFFAOYSA-N 305.692 3.207 0 40 DGAB OC[C@@H]1CCCN1Cc1cc(Br)ccc1Cl 78674415 AJGOGLQZDIMCOQ-NSHDSACASA-N 304.615 3.059 0 40 DGAB COCCCOc1cccc(C(=O)Nc2cccnc2Cl)c1 78878044 QOAOIPAIRDXRNG-UHFFFAOYSA-N 320.776 3.403 0 40 DGAB CCOc1ccc(-c2n[nH]c3c2[C@@H](c2ccccc2)NC3=O)cc1 1404748 UBJPEIMHCCEKAW-MRXNPFEDSA-N 319.364 3.308 0 40 DGAB Cc1ccc(-c2nc(Cn3nc(-c4ccco4)oc3=O)co2)cc1 43584710 AWGAOBBNVFDENA-UHFFFAOYSA-N 323.308 3.108 0 40 DGAB CN1[C@H]2CC[C@H]1CC(NC(=O)N1CC(C)(C)c3ccccc31)C2 100797989 ILXWRFDRNAKTDD-GJZGRUSLSA-N 313.445 3.119 0 40 DGAB CC(C)c1nnc(NC(=O)N[C@H]2CCOc3ccccc32)s1 43696425 HZMSOYKVCPFJEQ-NSHDSACASA-N 318.402 3.307 0 40 DGAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccccc2F)cc1 3246858 UAGNBLOSWWMKHI-DHZHZOJOSA-N 314.312 3.274 0 40 DGAB C[C@H](Sc1cccc[n+]1[O-])C(=O)Nc1cccc(Cl)c1 3220950 GUUBFBXDAGHNLJ-JTQLQIEISA-N 308.790 3.093 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)CCNc3ccccc3)ccc21 44252660 KIPPCJQEVVEVOJ-UHFFFAOYSA-N 323.396 3.036 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCC2)C(=O)Nc1nccs1 27975852 AZYYWHHMGADEFE-CQSZACIVSA-N 302.399 3.428 0 40 DGAB CC(C)C(=O)Nc1ccnn1Cc1cccc(Br)c1 57986972 GJDVEPPAOZDDRX-UHFFFAOYSA-N 322.206 3.288 0 40 DGAB O[C@@]1(c2ccc(F)cc2)CN(c2ccccc2)C2=[N+]1CCCC2 22407041 ONEAJCQTKHDJCL-LJQANCHMSA-N 311.380 3.086 0 40 DGAB O=C1CN=C(Nc2ccccc2Cl)N1Cc1ccc(F)cc1 20143120 HNECTCXTOOHISZ-UHFFFAOYSA-N 317.751 3.289 0 40 DGAB CCC(C)(C)C1CCC(NS(=O)(=O)N(C)C(C)C)CC1 58560791 YWRZLVRTMSKXGG-UHFFFAOYSA-N 304.500 3.156 0 40 DGAB Cc1cccc(N2CCN(c3cc(C)nc(C4CC4)n3)CC2)c1 346664910 ZJUBIMKYVQQOPJ-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB CCC[C@H](C)N(C)C(=O)Nc1ccc(NC(C)=O)c(OC)c1 48386924 UQBZNWRRNFXRMY-NSHDSACASA-N 307.394 3.306 0 40 DGAB O=C(CSc1cnnc2ccccc12)Nc1ccc(F)cc1 12976703 WNZUBWSVRLWHDV-UHFFFAOYSA-N 313.357 3.500 0 40 DGAB O=C1C[C@H](C(=O)NCCC2=CCCCC2)c2ccc(F)cc2N1 8734544 FWVWHDKKOAWSSR-HNNXBMFYSA-N 316.376 3.258 0 40 DGAB CSc1nc2ccccc2n1CC(=O)N(C)c1ccccc1 21540983 CRDPOKOOIRLAFC-UHFFFAOYSA-N 311.410 3.421 0 40 DGAB O=C(NCCc1c[nH]cn1)c1sc2ccccc2c1Cl 13640578 QXCIRODAONOLDG-UHFFFAOYSA-N 305.790 3.250 0 40 DGAB CN(Cc1ccc(CO)o1)C1CCN(c2ccc(F)cc2)CC1 92762820 ZOJUJVOARKECJB-UHFFFAOYSA-N 318.392 3.012 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCCO2)C(=O)Nc1ccccc1F 6284832 FLBXFTYXYKLPSA-NSHDSACASA-N 316.332 3.036 0 40 DGAB Cc1ccsc1CN(C)C(=O)NC[C@@H]1Cc2ccccc2O1 65399569 QIFWDBGRSHCNJY-AWEZNQCLSA-N 316.426 3.202 0 40 DGAB CC(C)Cc1ccc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 14181201 XZRCUNBMFTXPPQ-UHFFFAOYSA-N 309.369 3.307 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)cc1 14115465 ANIOTWDICZPWMO-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB Cc1csc(CCCNC(=O)Nc2ccc3[nH]ncc3c2)n1 71908420 WBHBQGUODNRVJB-UHFFFAOYSA-N 315.402 3.082 0 40 DGAB NC(=O)[C@@H](N[C@H]1CCc2cc(Cl)ccc21)c1ccccc1 66391495 WYHCEYAQKMWUCU-HOTGVXAUSA-N 300.789 3.144 0 40 DGAB C[C@H](Sc1nnc(C2CC2)o1)C(=O)NC1CCCCCC1 7297830 QAVVRZBHLKAAHX-JTQLQIEISA-N 309.435 3.267 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CC=CCC1 15825898 LFUBCTIOERIMNO-HOCLYGCPSA-N 310.401 3.143 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccc(F)cc1 7706149 YMFSTZVFKWDYKU-ZDUSSCGKSA-N 324.359 3.240 0 40 DGAB COc1cc(NC(=O)CNc2ccccc2Cl)cc(OC)c1 7784824 JZNHQZKWUDIKGO-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB C[C@H](NCc1ccnc(O[C@H]2CCOC2)c1)c1cccc(F)c1 90955533 XLIBFTNSJFXGGO-GUYCJALGSA-N 316.376 3.239 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc(Cl)cc1)C2 65184481 NCCGCKPYRDPBPQ-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB O=C(c1cc(-c2csc(-c3ccccn3)n2)c[nH]1)N1CCCC1 8074478 RJEOZEKIUIQBOT-UHFFFAOYSA-N 324.409 3.436 0 40 DGAB O=C(Nc1nccs1)c1cc(F)ccc1Br 8007638 BZPHHFKRYBKHMK-UHFFFAOYSA-N 301.140 3.297 0 40 DGAB COC(=O)c1ccc(CNC(=O)c2oc3ccccc3c2C)cc1 9384728 YNYADBUBSAXSCC-UHFFFAOYSA-N 323.348 3.458 0 40 DGAB COc1cccc(CNS(=O)(=O)c2c(C)cc(C)cc2C)c1 23993966 JAGXGOJZCHDEHE-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB CCCCN(C(=O)c1cccc(S(C)(=O)=O)c1)[C@H](C)CC 69414485 XKNVRQHDPPOTQB-CYBMUJFWSA-N 311.447 3.131 0 40 DGAB Cc1nnc(SCN2CCCCC2=O)n1[C@@H]1CCC[C@H](C)C1 97080636 NHIFSNDZCKQPJI-GXTWGEPZSA-N 322.478 3.400 0 40 DGAB O=C1CCCN1CCN1CCSC[C@@H]1c1ccc(Cl)cc1 72286556 JCUCSXVQKRZAKM-OAHLLOKOSA-N 324.877 3.052 0 40 DGAB Cc1nccn1Cc1cccc(CNc2cncc(Cl)n2)c1 79016633 XQLFAJSKRDGBKN-UHFFFAOYSA-N 313.792 3.295 0 40 DGAB C[C@H](CNCc1sccc1Br)Cn1ccnc1 97142144 BGBMSDMSOVIXDW-SNVBAGLBSA-N 314.252 3.133 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NCCCn1ccnc1 95419106 NSFQWDUXIOZWMG-ZDUSSCGKSA-N 300.431 3.104 0 40 DGAB COc1ccc(OC)c(CNc2nnc(C(F)(F)F)s2)c1 95464170 YQGRUGMBNHGBBA-UHFFFAOYSA-N 319.308 3.186 0 40 DGAB O=C(O)c1csc(Nc2cccc(OC(F)(F)F)c2)n1 95929477 ZFCVPYDPOGNYGU-UHFFFAOYSA-N 304.249 3.484 0 40 DGAB CC[C@H](C)c1ccccc1OC[C@@H](O)CN1C[C@H](C)O[C@H](C)C1 20807167 AAFRUTSENCMPBY-NXOAAHMSSA-N 321.461 3.049 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2onc(C)c2C)cc1Cl 89643362 YFMYWLDCDDLHKY-UHFFFAOYSA-N 300.767 3.054 0 40 DGAB COc1cc(C)c(/C=C2\SC(=O)N(C(C)C)C2=O)cc1OC 409062683 YWTPQFZEHZKEKV-ZSOIEALJSA-N 321.398 3.457 0 40 DGAB O=C(Cc1nnc(-c2cccs2)o1)Nc1ccc(F)cc1 32647268 YXTRTBYAPQOUJN-UHFFFAOYSA-N 303.318 3.118 0 40 DGAB O=C(NC[C@H](O)c1ccc(Cl)cc1)OCc1ccccc1 74559714 LWQCVVIICGWRPR-HNNXBMFYSA-N 305.761 3.300 0 40 DGAB CC(C)n1nc(-c2ccccc2)cc1NC(=O)c1cnccn1 71079057 OZGDEWIKBGTEFU-UHFFFAOYSA-N 307.357 3.173 0 40 DGAB CC(C)C(C)(C)CNC(=O)Nc1cnn(CC(F)(F)F)c1 188232722 RQTFUBPEDYSFER-UHFFFAOYSA-N 306.332 3.249 0 40 DGAB OCCN1CCC[C@H](c2cccc(-c3ccc(F)cc3)n2)C1 72357526 COVLPLBAIPZVQC-HNNXBMFYSA-N 300.377 3.059 0 40 DGAB Cc1ccc2nncc(SCC(=O)NC3CCCC3)c2c1 46087745 GCSIFSNMIBIKKD-UHFFFAOYSA-N 301.415 3.089 0 40 DGAB COc1ccccc1C(=O)Nc1cc(-c2cccc(F)c2)[nH]n1 223090708 IYKXZZKCXDHSNE-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB Cc1cnc(CNC(=O)[C@H](C)c2ccc(C(=O)C(C)C)cc2)o1 225785519 NUURGZVUXJRDPE-CYBMUJFWSA-N 314.385 3.242 0 40 DGAB Cc1c(C(=O)N[C@@H](C)c2ccc(-c3cccnc3)cc2)cnn1C 81001808 TXYPFDPMLFGAGI-ZDUSSCGKSA-N 320.396 3.282 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC[C@H](c2nnc3n2CCC3)C1 191066199 MNJMGDFYUIIOSS-ULQDDVLXSA-N 314.477 3.396 0 40 DGAB Cc1n[nH]c(C)c1[C@@H](C)Cc1nc(-c2ccc3c(c2)CCO3)no1 193728743 UYYCVKRYRUTFHA-JTQLQIEISA-N 324.384 3.358 0 40 DGAB CC1(C)OB(c2cc(N)ccc2Oc2ccccc2)OC1(C)C 221508294 VKQLABFJLLHXNF-UHFFFAOYSA-N 311.190 3.360 0 40 DGAB O=C(c1ccccc1)[C@H]1N[C@@H]1c1ccc(Br)cc1 49762759 KBGOQVUCMFYENS-KGLIPLIRSA-N 302.171 3.345 0 40 DGAB CCN(C(=O)CCCOc1ccccc1F)c1ccncc1 96409913 LZULOBWHTGPTDR-UHFFFAOYSA-N 302.349 3.433 0 40 DGAB Cc1noc(C)c1CN1CC[C@@H]2O[C@H](COCC(C)C)CC[C@@H]21 96186061 HNSKDONTTVAOKV-SZMVWBNQSA-N 322.449 3.086 0 40 DGAB O=C(N[C@H]1C[C@H]1c1c(F)cccc1F)c1ccncc1Cl 96443689 DALMITNRLNPDLE-RNCFNFMXSA-N 308.715 3.299 0 40 DGAB COc1ccc(-c2nc3ccc(NC(C)=O)cc3o2)cc1OC 98086938 AFXXHCJJFHQZAS-UHFFFAOYSA-N 312.325 3.470 0 40 DGAB CC(=O)Nc1cccc(CSCC(=O)N2CCC(C)CC2)c1 96448019 JAPDQLTVIQJIMC-UHFFFAOYSA-N 320.458 3.137 0 40 DGAB CC(C)n1ccc(CN2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)n1 252550552 SSEWRJFLGGVWAS-WMLDXEAASA-N 321.371 3.050 0 40 DGAB C=CC(=O)N1CCC(c2nccc(-c3ccc(OC)cc3)n2)CC1 585133940 CAUYQQBAKAYATD-UHFFFAOYSA-N 323.396 3.044 0 40 DGAB Cc1ccc2nc(C(=O)N3CCCC[C@@H]3c3[nH]ncc3C)cn2c1 257299411 RPZHIIFYGQQAHQ-OAHLLOKOSA-N 323.400 3.042 0 40 DGAB Cc1cccc(NS(=O)(=O)Cc2noc3ccccc23)c1C 96124211 PFAGVEXEBHJLFB-UHFFFAOYSA-N 316.382 3.387 0 40 DGAB COC(=O)Cc1csc(NC(=O)c2sccc2C(C)C)n1 58323206 YEVKTXJJGRMKBQ-UHFFFAOYSA-N 324.427 3.296 0 40 DGAB O=C(c1cnc(-c2ccccc2)s1)N1CCO[C@H]2CCC[C@H]21 56193366 XHIYSOMDVXOHIP-KGLIPLIRSA-N 314.410 3.204 0 40 DGAB Cc1n[nH]c(-c2ccc(NC(=O)c3ncoc3C(C)C)cc2)n1 69895922 QHQSXGFPGSYUIT-UHFFFAOYSA-N 311.345 3.144 0 40 DGAB Cc1ccc(CNC2CCN(c3ccccn3)CC2)c(N(C)C)c1 95969122 SWPYPJRNLFZCOU-UHFFFAOYSA-N 324.472 3.215 0 40 DGAB CCc1nc(Cl)c(C)c(N2CCN(C)c3ccccc3C2)n1 83830206 PUGWXAPKFWYRBS-UHFFFAOYSA-N 316.836 3.457 0 40 DGAB Fc1ccc(CN2CCN(c3nc4ccccc4o3)CC2)cc1 303309873 RTWOTFVIOSMBMF-UHFFFAOYSA-N 311.360 3.289 0 40 DGAB CCn1cc(Br)c(C(=O)N2[C@@H](C)CCC[C@H]2C)n1 18043846 ZBQIRTCWSDNELK-AOOOYVTPSA-N 314.227 3.069 0 40 DGAB CCOC(=O)c1[nH]c(C)c(C(=O)Nc2ccc(F)cc2)c1C 5054351 WHMTVWPMVKVWFU-UHFFFAOYSA-N 304.321 3.200 0 40 DGAB O=C(O)C[C@H](CNC(=O)OCc1ccccc1)c1ccccc1 5603317 HKJTUNQDTQFKQF-MRXNPFEDSA-N 313.353 3.171 0 40 DGAB COc1ccccc1OCCNC(=O)c1ccc(Cl)cc1F 16057079 LDRLUWFAQREGLF-UHFFFAOYSA-N 323.751 3.297 0 40 DGAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1cnc2ccccc2n1 206756612 UYYMWTFAITYIRC-FUNVUKJBSA-N 313.426 3.128 0 40 DGAB Cc1ccc(N2C(=O)N(C)c3ccccc3S2(=O)=O)cc1C 1888986175 OJKUYFAMKWQJFW-UHFFFAOYSA-N 316.382 3.069 0 40 DGAB Cc1ccccc1N[C@H](C(N)=O)c1ccc(Br)cc1 26895905 XGTJFXCCXBMMNE-AWEZNQCLSA-N 319.202 3.396 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(c3ncc(Cl)cn3)C2)ccn1 1776001131 AARPZBZAFHRDNY-CYBMUJFWSA-N 318.808 3.129 0 40 DGAB O=C(N1CCC2(CCCN2CC2CCC2)CC1)C1(F)CCC1 1565545815 PSKGTDIHYYBERV-UHFFFAOYSA-N 308.441 3.136 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)c1cc2ncccn2n1 2788387 ILQJVFUFWLMICP-UHFFFAOYSA-N 306.247 3.000 0 40 DGAB Cc1c(F)cccc1NC(=O)CCCCC[C@@H]1NC(=O)N[C@H]1C 4520557 MGQBHVRGZCUQID-WFASDCNBSA-N 321.396 3.093 0 40 DGAB CC(C)(C)C(=O)N1CCc2ccc(NC(=O)c3ccco3)cc21 13695300 KXVSBYMILWXJKY-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB COc1c(C)cnc(CNC(=O)c2c(C)noc2C(C)C)c1C 50448970 UEWSMMQKAPHSHM-UHFFFAOYSA-N 317.389 3.057 0 40 DGAB Nc1cc2c(cc1I)-c1ccccc1C2=O 398745 LWPVMAIPHIJCJK-UHFFFAOYSA-N 321.117 3.085 0 40 DGAB COc1ccc(-c2noc(-c3[nH]nc4c3C[C@H](C)CC4)n2)cc1 12322170 FBYYUQFUAXVQFR-SNVBAGLBSA-N 310.357 3.260 0 40 DGAB CC(=O)n1nc2c(c1C)-c1nc3ccccc3nc1C(C)(C)C2 1021421 CLLDNWCYUAYAEL-UHFFFAOYSA-N 306.369 3.296 0 40 DGAB CC(C)(C)c1ccc(NC(=O)COc2cccc(CO)c2)cc1 78775695 JLSKEZQIFVPUFA-UHFFFAOYSA-N 313.397 3.494 0 40 DGAB c1ccc2oc(N3CCN(c4nc5ccccc5o4)CC3)nc2c1 1704895 SYFZFUSVVGKIIY-UHFFFAOYSA-N 320.352 3.296 0 40 DGAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccccc1O 3276174 ZOADSAJVFKMWKF-UHFFFAOYSA-N 313.353 3.311 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC[C@@](C)(C(=O)O)C1(C)C)c1ccccc1 4011823 DJKAHODAMHQADM-DFHBCGBQSA-N 303.402 3.391 0 40 DGAB CN(C)C(=N)SCc1cc(Cl)c2c(c1)OCCCO2 22727765 LTXQBHKGGJHCJS-UHFFFAOYSA-N 300.811 3.231 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1 105697764 CGTQUDZXKYLKLL-BSXOQXRQSA-N 315.413 3.209 0 40 DGAB CN(Cc1ccc(Cl)cc1)C(=O)[C@H]1COc2ccccc2O1 20487620 KRAGZUVGHUSOBC-MRXNPFEDSA-N 317.772 3.138 0 40 DGAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2)c1 1396444 LFQYNISGMWBVOA-UHFFFAOYSA-N 304.349 3.149 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)nc1)c1cc2c(s1)CCC2 25009742 FJUPDIROZUNIGK-UHFFFAOYSA-N 310.382 3.070 0 40 DGAB COC(=O)Nc1cc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1F 106649914 UFDUUKQLJFWHJZ-JBLDHEPKSA-N 306.337 3.379 0 40 DGAB COc1ccc(C(=O)N(C)C)cc1NC(=O)CC1CCCCC1 55840595 KMJTXOFAGIKBJI-UHFFFAOYSA-N 318.417 3.306 0 40 DGAB O=S(=O)(/C=C/CN1CCCc2ccccc21)c1ccccc1 1423048 OUDRSAHBDZIUFO-VIZOYTHASA-N 313.422 3.427 0 40 DGAB COc1cc(CNC(=O)[C@H](C)SCc2ccccc2)ccn1 44465148 VDASGMFBRWQXRC-ZDUSSCGKSA-N 316.426 3.028 0 40 DGAB C[C@@H](NC[C@H](c1cccs1)N(C)C)c1nc(C(C)(C)C)no1 58177854 ZIHBTYHLFJUPRP-VXGBXAGGSA-N 322.478 3.382 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(=O)c2cc(F)ccc2O1)c1ccccc1 27986924 USMVCGZWEZGAGN-GTNSWQLSSA-N 313.328 3.037 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1ccc(Cn2cccn2)o1 28226551 FIQMWIBWWGLSOH-UHFFFAOYSA-N 307.353 3.265 0 40 DGAB CCCc1cc(=O)oc2c(C)c(OCC(=O)OC(C)C)ccc12 2479745 MKZVRZLAEOLELI-UHFFFAOYSA-N 318.369 3.384 0 40 DGAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@@H]1c1ccccn1 28923885 UBHUNNMDAUSOLC-GOSISDBHSA-N 319.364 3.466 0 40 DGAB O=C(NCCOc1ccccc1)c1cc2ccccc2cc1O 12809912 DHJDXRAVLMHBNV-UHFFFAOYSA-N 307.349 3.354 0 40 DGAB COc1ccc(CC(=O)OCc2nnc(-c3ccccc3)o2)cc1 2619484 WGJYUDZQCZENIQ-UHFFFAOYSA-N 324.336 3.031 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CSc1ncccn1 3474842 OMALEHQNLKSCJA-UHFFFAOYSA-N 323.805 3.178 0 40 DGAB COC(=O)c1cc(-c2cncc(C)c2)ncc1-c1nccs1 118449269 PRCPFDYJARDFKQ-UHFFFAOYSA-N 311.366 3.362 0 40 DGAB COC(=O)CCCCCNC(=O)c1cc2c(s1)CC[C@H](C)C2 12919494 PIUJWHWRQCYAJA-LBPRGKRZSA-N 323.458 3.336 0 40 DGAB C[C@@H](OC(=O)c1ccc(Cl)s1)C(=O)NC1CCCC1 4242666 RPSUMMXXKKOLCL-MRVPVSSYSA-N 301.795 3.006 0 40 DGAB Cc1ccsc1CN(C)Cn1nc2ccccn2c1=S 14114523 OZIPVPCEHWROTG-UHFFFAOYSA-N 304.444 3.325 0 40 DGAB O=C(Nc1cccc(F)c1)c1cn2c3c(cccc3c1=O)CCC2 22235226 LEKUQSUOHLVTMM-UHFFFAOYSA-N 322.339 3.339 0 40 DGAB CC(=O)N[C@H](CC(=O)N(C)C1CCCCC1)c1ccccc1 6602032 GSNWPSDWNRWDEV-QGZVFWFLSA-N 302.418 3.045 0 40 DGAB O=C(Nc1nncs1)c1ccc(-n2cnc3ccccc32)cc1 21214652 LPLYOJIDBVJPGR-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB CCNc1nc2c(s1)[C@H](c1ccc(F)c(F)c1)CC(=O)N2 15110127 BKWOGOKDPBXTEE-QMMMGPOBSA-N 309.341 3.327 0 40 DGAB Cc1nn(-c2ccccc2)nc1C(=O)N1c2ccccc2C[C@H]1C 16022742 JTXLUWWJDPQIGX-CYBMUJFWSA-N 318.380 3.167 0 40 DGAB CC(C)CN(C)C(=O)N[C@H](C)c1ccc(-n2ccnc2)cc1 68373503 UBCJOWRYEBTVJH-CQSZACIVSA-N 300.406 3.231 0 40 DGAB CCOC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 8132307 WVHLQEFNAHNQAM-UHFFFAOYSA-N 317.410 3.428 0 40 DGAB COc1ccc(C[S@](=O)C[C@@H]2CCCCO2)c(Cl)c1 83954720 XXPBTWHKJRNMMW-ORAYPTAESA-N 302.823 3.166 0 40 DGAB Cc1ccc(-c2noc(CN3CCC[C@@H]3c3cnn(C)c3)n2)cc1 70019464 IBMAFPHRFWVOOY-MRXNPFEDSA-N 323.400 3.116 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2cccc3c2OCCCO3)c1 69491645 RXEKBOQGXVCYPN-LSDHHAIUSA-N 315.417 3.092 0 40 DGAB CC(C)Oc1ccc(CNC(=O)CCc2cscn2)cc1F 69920859 GRKZAABPTKDSBN-UHFFFAOYSA-N 322.405 3.318 0 40 DGAB Cn1ccnc1[C@H]1CCCN1Cc1nccn1Cc1ccccc1 95456033 VSBRFBCWEMLQEB-QGZVFWFLSA-N 321.428 3.002 0 40 DGAB COc1ccc(OC)c(CNc2nnc(-c3ccoc3C)o2)c1 95464167 DPOYFTZRUWUCJZ-UHFFFAOYSA-N 315.329 3.267 0 40 DGAB C[C@@H](Cn1cncn1)N[C@@H](C)c1cc2cc(Cl)ccc2o1 97034473 BCGZDQBKUYFISC-QWRGUYRKSA-N 304.781 3.417 0 40 DGAB Cc1c(F)cccc1NC(=O)c1cnn(-c2ccccn2)c1C 73392609 LXVGLUOQFSTVEZ-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1ccc(C(N)=O)c(O[C@@H](C)c2nc(-c3ccccc3)no2)c1 72305675 LNZNFCUTVWZKBO-LBPRGKRZSA-N 323.352 3.284 0 40 DGAB NC(=O)c1ccccc1Oc1ccc(NC(=O)C2CC=CC2)cc1 75092489 RGSPCDCRVCFYAH-UHFFFAOYSA-N 322.364 3.483 0 40 DGAB Fc1ccc(-c2nc(CN3CC[C@@H](N4CCCC4)C3)co2)cc1 89793847 RZPBONCDTKHITR-QGZVFWFLSA-N 315.392 3.151 0 40 DGAB O=C(c1cc(C2CC2)nc2ccc(F)cc12)N1CCSC1 76065840 RNICOTACLHMEBM-UHFFFAOYSA-N 302.374 3.398 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)N1CC(=O)Nc2ccccc21 30855757 WRMBGMRNGIEGFT-INIZCTEOSA-N 324.380 3.138 0 40 DGAB C[C@H](NC(=O)OCc1ccccc1)C(=O)Nc1ccccc1F 62162484 NCOOJGNSXUWZIU-LBPRGKRZSA-N 316.332 3.079 0 40 DGAB Cc1ccc(-c2nsc(C(=O)NCc3ccccn3)c2N)cc1 62007047 MHSOERYKFHQKAH-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB COc1ccc2c(c1)OCCC[C@@H]2NCc1ccc(OC)nc1 225581012 TXUHDKQSWAOXMD-INIZCTEOSA-N 314.385 3.102 0 40 DGAB Cc1c(Br)cnc(NC(=S)NC2CC2)c1Cl 224030209 ADYIWRSOJKFOIC-UHFFFAOYSA-N 320.643 3.255 0 40 DGAB CCN(CC)C(=O)[C@H](c1ccccc1)[S@@](=O)C1CCCC1 194487675 CNXGBFBDDWMQKH-KKSFZXQISA-N 307.459 3.287 0 40 DGAB CCc1ccc(C(=O)N2CCN(C)C[C@H]2c2ccccc2)s1 40013022 KOABXRLWJAXUGI-INIZCTEOSA-N 314.454 3.439 0 40 DGAB CC[C@@H](NC(=O)N1CC(C)(C)OC(C)(C)C1)c1nccs1 190579599 JGVUHZCWXUYZKI-LLVKDONJSA-N 311.451 3.193 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N1CCC[C@H]1c1cccnc1 96410945 XSQWATQKRMPGSI-DLBZAZTESA-N 302.418 3.483 0 40 DGAB COc1ccc(-c2noc(-c3sc(C)nc3C)n2)cc1OC 96405222 URCWBGARPGOGOO-UHFFFAOYSA-N 317.370 3.494 0 40 DGAB CC(=O)c1ccc(C(=O)O[C@@H]([C@H]2CCCO2)C(F)(F)F)cc1 96485259 ACDQHMJCEMUDSB-OLZOCXBDSA-N 316.275 3.156 0 40 DGAB COc1ccccc1C[C@@H](C)NC[C@](C)(O)c1cccs1 95422980 CYQOCFTVMMNHBL-DYVFJYSZSA-N 305.443 3.185 0 40 DGAB Clc1snnc1CN(CCc1ccccc1)[C@H]1CCOC1 96460144 PBVLWLCDJCUUKM-ZDUSSCGKSA-N 323.849 3.025 0 40 DGAB Fc1ccccc1CN1CCOC[C@H](Oc2ccccc2)C1 96113200 HVFUCZCDTKJWLK-QGZVFWFLSA-N 301.361 3.106 0 40 DGAB biogenic,in-vitro COC(=O)c1c(NC(=O)c2cccc(C)n2)sc(C)c1C 24600238 VYEXQAUUHRDNLE-UHFFFAOYSA-N 304.371 3.107 0 40 DGAB O=C(Cc1ccsc1)N1Cc2nccn2C[C@H]1c1ccccc1 257241477 HYDNGNXMZBDWOF-INIZCTEOSA-N 323.421 3.271 0 40 DGAB C[C@@H](NC(=O)c1cn2ccccc2n1)c1ccc(F)c(F)c1 24752684 WISQVHPVMXLGND-SNVBAGLBSA-N 301.296 3.104 0 40 DGAB O=C(Cc1ccsc1)N[C@H]1CC[C@H](Oc2ccccn2)CC1 253394317 PRVJVPURDMRIES-SHTZXODSSA-N 316.426 3.192 0 40 DGAB CCCCc1nc(CN2CCC[C@H](c3ccnc(C)n3)C2)c[nH]1 257257663 KQPPDPXPWGXPFY-HNNXBMFYSA-N 313.449 3.230 0 40 DGAB COc1cc(OC)cc(C(=O)CC2(CC(=O)O)CCCC2)c1 95634218 QCEZVXZRCPYJPV-UHFFFAOYSA-N 306.358 3.312 0 40 DGAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(F)cc1F 390828068 OHBFKICRBOYOKS-UHFFFAOYSA-N 323.364 3.462 0 40 DGAB O=C(c1[nH]nc(C2CC2)c1Br)N1CCCCCC1 49156686 HJFIXUDLADAPIO-UHFFFAOYSA-N 312.211 3.066 0 40 DGAB O=C(CC[C@@H]1CCCOC1)Nc1cc(Cl)cc2c1OCC2 95944386 DXHIMPZMXVJCNL-NSHDSACASA-N 309.793 3.420 0 40 DGAB O=C(CC(F)(F)F)Nc1cc(F)ccc1OC[C@@H]1CCCO1 84344398 XHPWRTFUDKZREB-JTQLQIEISA-N 321.270 3.274 0 40 DGAB Cc1ccc(C)c(OC(=O)Cn2c(=O)sc3ccccc32)c1 43128 ZUWBIXWCSXYZOS-UHFFFAOYSA-N 313.378 3.285 0 40 DGAB CC(=O)Nc1cccc(CNc2cncc(Br)c2)c1 89265565 AFAKBTUKCRWCPY-UHFFFAOYSA-N 320.190 3.415 0 40 DGAB O[C@H](CN1C[C@H]2CC=CC[C@H]2C1)c1cccc(Br)c1 97002811 PSLKCLXFJFHQAP-IJEWVQPXSA-N 322.246 3.381 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CC(=O)N(c2ccccc2Cl)C1 16027229 UVWFLTAEYDHXOK-GFCCVEGCSA-N 314.772 3.332 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)CCC(=O)N1[C@@H](C)CCC[C@@H]1C 17031865 WGZLMVFPQBJSFZ-VGWMRTNUSA-N 308.466 3.346 0 40 DGAB CN(C(=O)Nc1cccc(Cl)c1)C1CN(c2ccccn2)C1 1888879506 VPFHPNYXPUOLII-UHFFFAOYSA-N 316.792 3.088 0 40 DGAB O=C(NCCCn1cnc2ccccc21)c1cc(F)ccc1F 15137582 OUZOOFQLZPIWGB-UHFFFAOYSA-N 315.323 3.135 0 40 DGAB Cc1cnc(C)c(OC2CCN(c3nccc4occc34)CC2)n1 2087023445 SOSYTAZJUWJCOU-UHFFFAOYSA-N 324.384 3.282 0 40 DGAB COc1ccc(NC(=O)NC[C@H](c2ccsc2)N(C)C)cc1 22766876 CZCBCUVIHXYMRG-OAHLLOKOSA-N 319.430 3.181 0 40 DGAB CN1CCC(NC(=O)CC(c2ccccc2)c2ccccc2)CC1 20220071 IDOPXQOPPVYJTP-UHFFFAOYSA-N 322.452 3.419 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCCn1ccc2ccccc21 40819681 UJWBUTQSIAGJEY-UHFFFAOYSA-N 317.392 3.482 0 40 DGAB biogenic CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1 365009 CAJQZVACVRTVJS-UHFFFAOYSA-N 324.789 3.099 0 40 DGAB Cc1csc(CNS(=O)(=O)c2ccc3ccccc3c2)n1 41540358 POAHTOUYQKLPMM-UHFFFAOYSA-N 318.423 3.083 0 40 DGAB Cc1nc(-c2ccccc2OCC(=O)Nc2ccccc2C)no1 33325025 JXTCVWFPZBXRCC-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1ccc([C@@](O)(c2nc3ccccc3[nH]2)C(F)(F)F)c(O)c1 99768 QQBKPEOJPNHCIL-OAHLLOKOSA-N 322.286 3.375 0 40 DGAB CCc1cc(-c2n[nH]cc2-c2nc(C)cs2)c(O)cc1O 408904 ZNDXAXJVRDOBOO-UHFFFAOYSA-N 301.371 3.482 0 40 DGAB C[C@@H]1CN(c2nc(-c3ccncc3)nc3ccccc23)C[C@@H](C)O1 521519 AWFJJJAECLZVBJ-ZIAGYGMSSA-N 320.396 3.305 0 40 DGAB CN(C)C(=O)c1cccn1-c1ncc(C(F)(F)F)cc1Cl 3133276 FXGCTEDHBUBTKX-UHFFFAOYSA-N 317.698 3.246 0 40 DGAB CC(=O)Nc1ccc(C(=O)[C@@H](Cc2ccccc2)N(C)C)cc1 3282622 WJCLGSTVIZZJES-GOSISDBHSA-N 310.397 3.001 0 40 DGAB O=C(NC(=S)NC1C2CC3CC(C2)CC1C3)c1cccs1 3314875 CLJAOTRXSANONW-UHFFFAOYSA-N 320.483 3.177 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccccc1Br 3323635 ZYRVGNSWOWMGMT-UHFFFAOYSA-N 311.223 3.264 0 40 DGAB O=C(Cc1cccs1)NC[C@@H](c1ccco1)N1CCCCC1 3348696 VBTWIICTTSJDJW-HNNXBMFYSA-N 318.442 3.227 0 40 DGAB Cc1ccccc1N1CSc2nnc(-c3cccnc3)n2C1 3843322 BRPJOJRITQITQS-UHFFFAOYSA-N 309.398 3.176 0 40 DGAB biogenic CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccncc1 4978550 CPOWKFMLLOOHSJ-VNQPRFMTSA-N 319.401 3.242 0 40 DGAB O=C([C@H]1CC(c2ccc(F)cc2)=NO1)N1CCCc2ccccc21 5029888 CJDKMXZXFFBQTI-GOSISDBHSA-N 324.355 3.298 0 40 DGAB O=C(Cn1nnc(-c2ccccc2)n1)c1ccc2c(c1)CCCC2 5325849 FSZZBKVHENECAE-UHFFFAOYSA-N 318.380 3.102 0 40 DGAB CC(=O)Oc1cs/c(=N\c2ccc(Cl)cc2)n1C(C)=O 5375707 QMSQRSGDSQLHMK-SQFISAMPSA-N 310.762 3.021 0 40 DGAB O=C(OCCOc1ccc(F)cc1)c1ccc2nccnc2c1 5419860 ZPXPAEFNESEXTD-UHFFFAOYSA-N 312.300 3.005 0 40 DGAB COc1cc(S(=O)(=O)Nc2cc(C)ccc2C)ccc1F 7360640 OXZWLCLYYFCCRA-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1cccc(NC(=O)CSc2nnc(C)n2C2CC2)c1C 7617233 CSGONQOJQMIMNH-UHFFFAOYSA-N 316.430 3.269 0 40 DGAB COc1ccc(CNC(=O)c2cc3ccccc3[nH]2)cc1OC 8134110 DRJITIXLOXCIDF-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB Cc1ccsc1CN(C)CC(=O)N[C@@H](C)c1ccccc1 8309869 MNPIIBBVCSKNLW-AWEZNQCLSA-N 302.443 3.366 0 40 DGAB COc1ccccc1-c1n[nH]c(=S)n1NCc1ccccc1 8496651 GANIEBMOEAOIEG-UHFFFAOYSA-N 312.398 3.360 0 40 DGAB Cc1ccoc1C(=O)N1CCN(c2cccc(Cl)c2)CC1 9118050 YTHIZXSILKRJGK-UHFFFAOYSA-N 304.777 3.204 0 40 DGAB COc1cccc([C@@H]2NC(=O)c3ccccc3N2)c1OC(C)C 9913925 KRJNUYRXTQVOCW-KRWDZBQOSA-N 312.369 3.337 0 40 DGAB Cn1ccc(NC(=O)NC(c2ccccc2)c2ccccc2)n1 10585958 ZFDKGRMDALXBFO-UHFFFAOYSA-N 306.369 3.331 0 40 DGAB Cc1ccc(-c2n[nH]cc2[C@@H]2Nc3ccccc3C(=O)N2C)o1 11035782 NJZPGBDNANVNCQ-MRXNPFEDSA-N 308.341 3.174 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1nc2c(s1)C[C@H](C)CC2 11696032 SBSUUNQSPGKORY-SECBINFHSA-N 304.419 3.045 0 40 DGAB CC(C)n1cnnc1SCC(=O)NC1CCCCCCC1 11721220 LVUAPGZWRUKOHC-UHFFFAOYSA-N 310.467 3.180 0 40 DGAB COc1cccc([C@@H]2C[C@H](c3ccccc3)Nc3ncnn32)c1 12469269 AMNRSUAQXLGNAK-SJORKVTESA-N 306.369 3.433 0 40 DGAB CN(Cc1cccs1)C(=O)CSc1nc2ccccc2[nH]1 12484742 XZJOTQPQMJWFIR-UHFFFAOYSA-N 317.439 3.375 0 40 DGAB Cc1cccn2cc(COC(=O)c3ccc(N(C)C)cc3)nc12 12520785 ATVNXDQDIPBCIJ-UHFFFAOYSA-N 309.369 3.066 0 40 DGAB CCn1c(-c2ccc(C)cc2)cnc1S[C@H]1CCOC1=O 12544393 OLOOJMZJPUFSSW-AWEZNQCLSA-N 302.399 3.286 0 40 DGAB Cc1cccc(CN2CCN(c3ccccc3C(=O)O)CC2)c1 12608841 HHGVNWGEABJBEJ-UHFFFAOYSA-N 310.397 3.015 0 40 DGAB Cc1ccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)cc1 12805389 YGVFULGORWRIPF-UHFFFAOYSA-N 320.392 3.440 0 40 DGAB Sc1nnc(CN2CCCCC2)n1-c1ccc(Cl)cc1 13133532 HXPABTAIMOEMFI-UHFFFAOYSA-N 308.838 3.195 0 40 DGAB O=C(C[C@@H](C(=O)O)c1ccccc1)Nc1ccc(F)cc1F 13252483 HFUCYNZOLXGXAD-GFCCVEGCSA-N 305.280 3.162 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)N1CCc2ccccc21 13596266 KCWDFJWWSPNBQV-GOSISDBHSA-N 311.381 3.442 0 40 DGAB Cc1cc(C(=O)NCCCN(C)C)sc1-c1ccccc1 13746635 GYCYIKOBWPGKDD-UHFFFAOYSA-N 302.443 3.405 0 40 DGAB COc1ccc(C2=N/C(=C\c3ccccc3C)C(=O)O2)cc1OC 14241105 NOJAOQAJLKFXBU-GDNBJRDFSA-N 323.348 3.357 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c(OC)c1 14683219 CDUNAOPCNBAQNV-CYBMUJFWSA-N 315.369 3.418 0 40 DGAB O=C(NCc1ccccc1)c1nn(-c2ccccc2)c2c1CCC2 15517089 GVKOJMBSLAJGAT-UHFFFAOYSA-N 317.392 3.291 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=S)NCC(C)C 17054083 BFMYYRQCYDZHMF-UHFFFAOYSA-N 316.474 3.109 0 40 DGAB Cc1cccc(OCCNC(=O)COc2ccc(C)c(C)c2)c1 21769587 FVJXPYIANPUDHJ-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB Cc1cc(C)cc(C(=O)c2ccccc2CN2CCN(C)CC2)c1 22028199 IHHBQTBMGDIZKT-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)Cc2ccc(Cl)cc2)s1 24668062 RTFGYMYFFCWKNF-UHFFFAOYSA-N 323.801 3.460 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1cccc(Cn2ccnc2)c1 25172664 PZGHJWYLECEDBN-UHFFFAOYSA-N 324.384 3.108 0 40 DGAB COc1cc([C@H](C)NC(=O)C2CC2)ccc1OCC(F)(F)F 27352447 VIGDOEZPAMDMCS-VIFPVBQESA-N 317.307 3.224 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)[C@@H]1CCc2ccccc21 29484224 QQZXUOJYSAOKDM-LJQANCHMSA-N 322.408 3.447 0 40 DGAB CCCc1cc(C(=O)N[C@@H](C)c2ccc(-n3ccnc3)cc2)[nH]n1 29881337 RHFOUEGSOZXQEC-ZDUSSCGKSA-N 323.400 3.039 0 40 DGAB CC(C)c1ccc(OCc2ccc(C(=O)NCCCO)o2)cc1 32611358 LCCHTSDRJVPOQJ-UHFFFAOYSA-N 317.385 3.094 0 40 DGAB CCc1nnc(CN2CCC(c3c[nH]c4ccccc34)CC2)o1 32879783 BBFMGIDEFHYRLU-UHFFFAOYSA-N 310.401 3.493 0 40 DGAB COc1ccc([C@H]2CCCN2[C@H](C(N)=O)c2ccccc2)cc1 37467061 JNUDRXJXTSTTNA-MSOLQXFVSA-N 310.397 3.059 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(C)cc2F)cc1 40098487 MTFYOIPBEHBRRV-INIZCTEOSA-N 302.349 3.298 0 40 DGAB CC(C)Cn1c(CNC(=O)c2cccnc2)nc2ccccc21 40180913 IEGLPFQDVRGTJR-UHFFFAOYSA-N 308.385 3.017 0 40 DGAB C[C@@H](NC(=O)N[C@H](C)c1nc2ccccc2[nH]1)c1ccccn1 45560618 OXYOQACXWVATSR-VXGBXAGGSA-N 309.373 3.079 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCCc3cccnc3)cs2)o1 48249062 YTLQJLVSWDPMEA-UHFFFAOYSA-N 313.382 3.079 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2c(F)cccc2Cl)n1 48409421 SLOZOCRDLPVJJN-JTQLQIEISA-N 323.799 3.359 0 40 DGAB CCCC(C)(C)NC(=O)c1sc(-c2ncccn2)nc1C 50497114 YPUTTZMUVJGZGX-UHFFFAOYSA-N 304.419 3.217 0 40 DGAB CCCCC[C@H](C)NC(=O)Nc1ccccc1CC(=O)NC 58265855 WWTGACARQDIDPE-ZDUSSCGKSA-N 305.422 3.065 0 40 DGAB O=S(=O)(Cc1ccccc1C(F)(F)F)c1ccccn1 60916402 XWAHQFUQGDJBDH-UHFFFAOYSA-N 301.289 3.074 0 40 DGAB O=C(O)c1[nH]c2cc(Cl)ccc2c1I 62709371 RMKDRYPFBSBTKZ-UHFFFAOYSA-N 321.501 3.124 0 40 DGAB COc1ccc([C@H]2CCCN2c2ccc3nccnc3n2)cc1 63508039 ZZVKUIDUFCFMAH-MRXNPFEDSA-N 306.369 3.375 0 40 DGAB COc1cc(C)cc2c(OCC(=O)OC(C)C)cc(C)nc12 64874681 KTLNWQJLHYAQCY-UHFFFAOYSA-N 303.358 3.191 0 40 DGAB COc1ccccc1N1Cc2cc(Cl)ccc2OCC1=O 65184560 MIDSIOZWBOATHG-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)CC(C3CC3)C3CC3)C2)c1 69451836 RUYVSTLCHZMXPD-INIZCTEOSA-N 301.434 3.181 0 40 DGAB Clc1snnc1CN1CCC[C@@H]1c1ccc2c(c1)OCO2 69509522 YLDUFBWCMYKWBU-LLVKDONJSA-N 323.805 3.257 0 40 DGAB CSCCc1ccc(NC(=O)NC2CCC(O)CC2)cc1 69684864 DFYILLKRFCYBBU-UHFFFAOYSA-N 308.447 3.017 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2Cc2ncc(C(C)(C)C)o2)n1 70039949 NRBNQILDUVDRLQ-OAHLLOKOSA-N 316.449 3.450 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(Cl)s1 71880532 BXQRPXPJNARZBR-ZIAGYGMSSA-N 312.866 3.377 0 40 DGAB Cc1cc(C)cc([C@@H](C)NC(=O)NCc2c(C)noc2C)c1 71885940 RTNAPPJBXGGKSE-GFCCVEGCSA-N 301.390 3.469 0 40 DGAB Cc1cccnc1[C@H](NC(=O)CCOCC(F)(F)F)C(C)C 71908538 VXQLVMFXJRMTKT-CYBMUJFWSA-N 318.339 3.172 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1ccc(N2CCCCC2)nc1C 72219315 DSVNUYAPXWVUSS-QGZVFWFLSA-N 301.434 3.454 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@@H]1c1cccc2nccnc12 72314681 MOUCRWGVBZIULQ-MRXNPFEDSA-N 322.393 3.389 0 40 DGAB CNc1cc(CN(C)C)nc([C@@H]2CCCCN2C2CCCC2)n1 72352018 LPPGYHNLMWGHTQ-INIZCTEOSA-N 317.481 3.050 0 40 DGAB O=C(CCCc1nnc2ccccn12)NCCC1=CCCCC1 72402448 QRONAMARLPFMRO-UHFFFAOYSA-N 312.417 3.059 0 40 DGAB COC(=O)c1ccc(CNC(C)(C)c2nc(C)c(C)s2)o1 72866666 IKSIDZYOBDAHDS-UHFFFAOYSA-N 308.403 3.164 0 40 DGAB COc1ccc(C2CCN(C(=O)NCC(F)(F)F)CC2)cc1 72929536 MDFTZZWXSCZLGK-UHFFFAOYSA-N 316.323 3.147 0 40 DGAB CCO[C@H](C)c1nc(CN2CCC[C@@H]2c2noc(C)n2)cs1 76018104 ZJRWWNRSBUKSRO-ZWNOBZJWSA-N 322.434 3.269 0 40 DGAB Cc1nc([C@H]2CCCN2C(=O)C[C@@H]2CCc3ccccc32)no1 76043683 VHJRMFLNSWOVNB-GOEBONIOSA-N 311.385 3.162 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1cccn1C 83888720 KRJVGBKHZSIFBG-UKRRQHHQSA-N 315.442 3.264 0 40 DGAB COC(=O)[C@H]1CCN(C(=O)c2ccsc2)c2ccccc21 89228609 SEYWVSYHJAYHIF-ZDUSSCGKSA-N 301.367 3.055 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](c2cn[nH]c2)C1 89851113 MDPSJUCOPDEISO-AWEZNQCLSA-N 322.368 3.085 0 40 DGAB COc1ccc(Cl)cc1[C@@H](C)NCCCN1CCCC1=O 89904573 OOGAUZJMUVGHQL-GFCCVEGCSA-N 310.825 3.012 0 40 DGAB CCO[C@H]1C[C@@H](NC2CCN(C(=O)CC)CC2)C12CCCCC2 89941629 CTVRXOLIWGNOSK-SJORKVTESA-N 322.493 3.105 0 40 DGAB CCn1cc(C(=O)NCC2(N(C)C)CCCCC2)c(C(C)C)n1 95399998 PBPSPKISHITBCJ-UHFFFAOYSA-N 320.481 3.021 0 40 DGAB CCOC[C@H]1COCCC12CCN(CCc1ccccc1)CC2 96106413 NPIPOAMOFGVQLX-IBGZPJMESA-N 317.473 3.384 0 40 DGAB CC[C@H](NC(=O)[C@H]1C[C@@H]1c1cnn(C)c1)c1cc(F)ccc1F 96419007 IWQPCGQLUGNOEM-WWGRRREGSA-N 319.355 3.069 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@H]1CCC[C@H]1O 96435323 MCFYNBZXAPVFTI-RHSMWYFYSA-N 320.433 3.203 0 40 DGAB O=C(c1ccc(Cl)c2cccnc12)N1CCc2cnccc21 97084702 XHLMFJLHQONUCQ-UHFFFAOYSA-N 309.756 3.486 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2cccc(Cl)c2)C1=O 101275256 DODHHCRGJAGHIB-CQSZACIVSA-N 314.772 3.392 0 40 DGAB CN(C)c1ccc(CCCNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105572382 JWKRBBZCLXFNBV-XYJFISCASA-N 300.446 3.238 0 40 DGAB O=C(N[C@H]1C[C@H]2CC[C@H]1O2)N[C@@H](c1cc(F)ccc1F)C1CC1 108106066 CYNKYAOHECPYCO-MSQAHXEGSA-N 322.355 3.035 0 40 DGAB CC(=O)Nc1ccc([C@H](C)N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1 134789517 XOCGMPVDFONCHQ-BIMQEMHKSA-N 314.429 3.253 0 40 DGAB Cc1ccc2c(c1)[C@@H](NCCCOC1CCOCC1)[C@@H](C)C2 180916550 BBRCFXIZYHQPPB-KXBFYZLASA-N 303.446 3.404 0 40 DGAB CCc1nc(CS[C@H](C)c2nc(-c3cccs3)no2)n[nH]1 193613150 LZXDZBZYYCXOMO-MRVPVSSYSA-N 321.431 3.473 0 40 DGAB CC(C)(C)OC(=O)N1CCCc2cc(CCC(=O)O)ccc21 217775642 QXLHMHWGLDCKGU-UHFFFAOYSA-N 305.374 3.392 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCC 224739796 RTPZOWHNJWZITG-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)C2)n1 257206641 BEIVUIUTKDVQRA-QGZVFWFLSA-N 319.412 3.165 0 40 DGAB Cc1nc(C)c(C(=O)N2CCCC[C@@H]2c2n[nH]cc2C)s1 257342099 ZNCJJLRFLKDPPZ-GFCCVEGCSA-N 304.419 3.159 0 40 DGAB Cc1nn(C)c2nc([C@@H]3CCCN(C(=O)C(C)(C)C)C3)ccc12 257344563 ZXUSFRSFCLHLOV-CYBMUJFWSA-N 314.433 3.029 0 40 DGAB COc1ccc(CC(=O)Sc2nc3ccccc3n2C)cc1 408665661 UOZDAQGFZAZXGE-UHFFFAOYSA-N 312.394 3.443 0 40 DGAB C[C@H]1CC[C@H](C(=O)NCCNC(=O)CC2CCCCC2)CC1 563539824 XTHZTWKHBPPNMX-KOMQPUFPSA-N 308.466 3.016 0 40 DGAB O=C(c1n[nH]c2c1CCCCC2)N1CCC[C@H](c2ccncc2)C1 584748123 ZUJYAIJLXHXEKI-HNNXBMFYSA-N 324.428 3.093 0 40 DGAB CN1CCC[C@@H](c2cccc(C(=O)N3CCC=C(F)C3)c2)C1 585089526 UQGOXXNYYAWFTI-MRXNPFEDSA-N 302.393 3.195 0 40 DGAB CC(C)(C)C(=O)NC1CCN(CCCOc2ccccc2)CC1 1230105563 UPCIKVJJOAGETA-UHFFFAOYSA-N 318.461 3.082 0 40 DGAB CCc1cnc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)nc1 1888842752 OOIUSFFYAFWNCP-KBPBESRZSA-N 317.824 3.261 0 40 DGAB Cc1ncnc(C(=O)Nc2ccc(OC(F)(F)F)cc2)c1C 1888863602 YWUCLIQTEQIASI-UHFFFAOYSA-N 311.263 3.244 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2cccc(C(F)(F)F)n2)C1 1889098107 PEHNTUINXMAXKD-LBPRGKRZSA-N 323.318 3.462 0 40 DGAB Clc1ccc2oc(N3CC(COc4cccnc4)C3)nc2c1 1889186916 AJFWGALBMUTPJA-UHFFFAOYSA-N 315.760 3.391 0 40 DGAB Cc1ccc(Cn2nnc3sc4c(c3c2=O)CCCC4)cc1 958844 HJKFQUOBAIOXBT-UHFFFAOYSA-N 311.410 3.089 0 40 DGAB Cc1cc(C)cc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1 935393 KFUGWFYPGKATGF-UHFFFAOYSA-N 321.380 3.111 0 40 DGAB CCCc1sc(C(=O)N[C@@H](C)Cn2ccnc2)cc1CC 42510227 VPDDDCWMLOMNIH-LBPRGKRZSA-N 305.447 3.278 0 40 DGAB CC[C@H]1CN(C(=O)c2ccccc2C(=O)c2ccccc2)CCO1 23894127 GRKXYPUQHPFBAL-INIZCTEOSA-N 323.392 3.169 0 40 DGAB COc1cc(OC)cc(C(=O)NCCc2ccc(Cl)cc2)c1 3609061 VNYWXTVNVQBIGF-UHFFFAOYSA-N 319.788 3.330 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@@H]3C=C[C@H]2C32CC2)c1 4595231 BMXJAVIZWRDJMQ-VRKREXBASA-N 311.381 3.155 0 40 DGAB Cn1ccs/c1=N\C(=O)c1cccc(OCc2ccccc2)c1 7974240 PUSNLEQHNGCLAA-HNENSFHCSA-N 324.405 3.407 0 40 DGAB C[C@@H](O)CNCc1cc(Cl)ccc1OCc1ccccc1 8535067 VSTUUGBYVXJIAQ-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB CCn1cc(NC(=O)c2cc(F)ccc2Br)cn1 35238285 MFUNSIGZEFTBTR-UHFFFAOYSA-N 312.142 3.057 0 40 DGAB CCCCS[C@@H](C)C(=O)Nc1ccc(-n2cncn2)cc1 57451368 XKFPZLXJIZZDBA-LBPRGKRZSA-N 304.419 3.128 0 40 DGAB c1nc(CN2CCC[C@H]2c2ccc3c(c2)OCCO3)cs1 57598598 SIWHAIDLXHOABK-AWEZNQCLSA-N 302.399 3.251 0 40 DGAB CCCCNC(=O)CCCc1nc(-c2cccc(C)c2)no1 9196412 OKVIMHZQUOCFLY-UHFFFAOYSA-N 301.390 3.284 0 40 DGAB Clc1ccc(CNC[C@H]2CNc3ccnn3C2)c(Cl)c1 58300201 XNJVQDOIQOCSDL-JTQLQIEISA-N 311.216 3.021 0 40 DGAB Cc1cccc(OC[C@H](O)CN2CC[C@H](c3ccccc3)C2)c1 58378317 QEIZAORKJXJENY-RBUKOAKNSA-N 311.425 3.224 0 40 DGAB C[C@@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccccc1F 3396963 NLNMOEXRMFXCDE-SECBINFHSA-N 322.723 3.058 0 40 DGAB Cc1cc2ncc([C@@H](C)Nc3cnn(C(C)(C)C)c3)c(C)n2n1 97231600 CRFUGCSZOTVMFY-GFCCVEGCSA-N 312.421 3.471 0 40 DGAB CCCc1cc(O)n2nc(NCc3cccc(Cl)c3)nc2n1 9109528 ANIGIXZFMBBGPD-UHFFFAOYSA-N 317.780 3.048 0 40 DGAB O=C(CSc1ccccn1)N1CCSc2ccccc21 11710531 SPUFPDZYGIPINU-UHFFFAOYSA-N 302.424 3.313 0 40 DGAB O=C(CCNC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 3446264 VWSSSRVDHXKCQY-UHFFFAOYSA-N 320.751 3.238 0 40 DGAB CCc1nc2ccccc2c(C(=O)OCc2nc(C)no2)c1C 23374179 QCAAHIQXGAAISQ-UHFFFAOYSA-N 311.341 3.154 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)[C@@H]1CCCN(C(=O)C(C)C)C1 46146516 PNEXTRUYVYBKOS-JKSUJKDBSA-N 316.445 3.067 0 40 DGAB O=C(c1ccco1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797565 CTUMXGIFQCGMRF-AWEZNQCLSA-N 313.353 3.418 0 40 DGAB Cc1noc(CCCC(=O)N[C@@H](C)c2ccc(Cl)s2)n1 46745428 DHWDFIJHRPRETC-QMMMGPOBSA-N 313.810 3.293 0 40 DGAB COc1ccc([C@@H]2CCCN2CC(=O)Nc2ccccc2)cc1 12921167 WHKREKYWYSDADT-SFHVURJKSA-N 310.397 3.471 0 40 DGAB CC(=O)NC(OCc1ccccc1)(C(F)(F)F)C(F)(F)F 4207838 UODJBPUSMTVGNA-UHFFFAOYSA-N 315.213 3.160 0 40 DGAB O=c1c2cc(OCc3cccc(F)c3)ccc2nc2n1CCC2 13736005 CMGVYXIZXVDLSS-UHFFFAOYSA-N 310.328 3.061 0 40 DGAB CCN1CCC(NC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)CC1 13744972 WEDPMLGAWIVAQW-CYBMUJFWSA-N 324.852 3.016 0 40 DGAB COc1cccc(C(=O)OCc2cc3ccc(C)cc3[nH]c2=O)c1 5164969 VHXMKBZIQCRTKH-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB COc1ccc(C2=NC(=S)N(c3ccc(C)cc3)CN2)cc1 6275972 LRCGMNONHUFSSM-UHFFFAOYSA-N 311.410 3.102 0 40 DGAB Cc1cc(C)c(CNC(=O)c2cc3ccccc3s2)c(=O)[nH]1 14124969 JTAOXWXVRPZDCX-UHFFFAOYSA-N 312.394 3.136 0 40 DGAB CCO[C@@H](C)C(=O)N(C)[C@H](c1cccc(F)c1)c1ccccn1 65626857 QLKRMLBCPNIESC-SUMWQHHRSA-N 316.376 3.194 0 40 DGAB Cc1cccc(C[S@](=O)CCC(=O)NC2CCCCC2)c1 66297236 XQYUPZPRMLUXAQ-NRFANRHFSA-N 307.459 3.083 0 40 DGAB Cc1oc2cc(O)ccc2c(=O)c1-c1ccc2c(c1)OCCO2 5730185 SHLNEMDFBUCZMY-UHFFFAOYSA-N 310.305 3.245 0 40 DGAB biogenic C[C@@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1 4814982 HQPITVSNTAFTRM-RHSMWYFYSA-N 318.380 3.307 0 40 DGAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)cc2)o1 5862980 YVBHIUGFQAIXOB-NSHDSACASA-N 305.403 3.052 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)[C@H]1CCn2cncc2C1 96486764 ZDGNJFJWFZIVTB-ZDUSSCGKSA-N 324.409 3.208 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cccc(O)c2)N1C[C@H]1CCCO1 15517129 UEGATGGLCDXCDY-CRAIPNDOSA-N 324.380 3.138 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccc(CN2CCCC2)cc1 7339667 UYFKBNDOXCRJMD-UHFFFAOYSA-N 315.461 3.097 0 40 DGAB CCCc1nc(CN2CCC[C@H]2[C@@H]2CCCN2C(C)=O)cs1 71880925 UPVMAWQNNIWKEX-HOTGVXAUSA-N 321.490 3.071 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)N(C)CC(C)C)cc1 68399519 FMQNHZBTVZBACD-AWEZNQCLSA-N 319.449 3.012 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1N(C)c1ccccc1)n1cncn1 71903444 MMRFGVOMZMUKQD-AWEZNQCLSA-N 321.384 3.246 0 40 DGAB Cc1csc(NC(=O)Cc2cc(Cl)c3c(c2)OCCO3)n1 9690044 OGKSUDWUNATXPR-UHFFFAOYSA-N 324.789 3.057 0 40 DGAB CC(=O)c1cccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c1 9694988 HXHFIFXOVOWSMO-UHFFFAOYSA-N 323.801 3.485 0 40 DGAB Cc1nc(C)c(C(=O)Nc2[nH]nc(-c3ccncc3)c2C)s1 69589070 ZLRASZOYRYHLHE-UHFFFAOYSA-N 313.386 3.106 0 40 DGAB Cc1cnc(C(=O)O[C@@H](c2ccccc2)c2nccs2)cn1 91775586 IYMIDCFPNHWSOG-AWEZNQCLSA-N 311.366 3.188 0 40 DGAB Cc1cccc(OCCCN2C(=O)NC3(CCCCC3)C2=O)c1 9885417 YCBUEAYKINJAKL-UHFFFAOYSA-N 316.401 3.019 0 40 DGAB Cc1ccsc1C(=O)Nc1ccccc1SCCC(N)=O 69813950 WOSDGACFWBAYBD-UHFFFAOYSA-N 320.439 3.276 0 40 DGAB C[C@@H]([C@@H](C)NCc1coc(-c2cccs2)n1)n1cccn1 69951949 GMLWFJVXRYILIH-NEPJUHHUSA-N 302.403 3.339 0 40 DGAB O=C(NC1(c2cccc(F)c2)CC1)c1cc2ccccc2c(=O)[nH]1 72292396 PAWVIXULUJIAPP-UHFFFAOYSA-N 322.339 3.086 0 40 DGAB COc1ccc(NC(=O)N[C@H](CCO)c2ccccc2)cc1C 72294202 KAUOKIIKDUNQNE-MRXNPFEDSA-N 314.385 3.249 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)C[C@H]3CCCO3)C2)sc1C 72297508 WCDXDZNKDHVBEF-ZIAGYGMSSA-N 308.447 3.035 0 40 DGAB CCCCS(=O)(=O)N[C@@H](C)c1ccc(OC(F)F)cc1 72273007 ZUPVLIILRMENSW-JTQLQIEISA-N 307.362 3.069 0 40 DGAB COC1CCC(OC(=O)c2cccc(-c3nnc(C)o3)c2)CC1 84291707 ZCQYYSJETJKKIQ-UHFFFAOYSA-N 316.357 3.159 0 40 DGAB Cc1nc(NC(=O)CSc2cc(Cl)ccc2Cl)no1 97165001 MCTAHQRJEFJUBE-UHFFFAOYSA-N 318.185 3.416 0 40 DGAB O=C1[C@H](NC2CCCCCCC2)CCCN1c1cccnc1 97108624 QGAHLPNAQVFHDF-QGZVFWFLSA-N 301.434 3.280 0 40 DGAB COC[C@H](N[C@@H](C)c1ccc2c(c1)OCO2)c1ccc(C)o1 95968830 UHLFCRAYKJXXAV-JSGCOSHPSA-N 303.358 3.355 0 40 DGAB COc1ccc2cccc(CC(=O)N(C[C@@H](C)O)C(C)C)c2c1 95979393 HVJRARRLHJMQRD-CQSZACIVSA-N 315.413 3.009 0 40 DGAB COCc1ccc([C@H]2CCCN2C(=O)N[C@H]2CCCSC2)o1 95944949 WMDMUGFGSIUDAZ-GXTWGEPZSA-N 324.446 3.168 0 40 DGAB Cc1nnc(S(=O)(=O)Cc2ccccc2)n1C1CCCCC1 95953956 LVGNUTVWGHOVDV-UHFFFAOYSA-N 319.430 3.066 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)N[C@H](C)c1c(F)cccc1OC 74739713 PKOBPRIWZIPJQU-CHWSQXEVSA-N 324.396 3.106 0 40 DGAB CN(C)CCNC(=O)/C=C/c1ccc(-c2ccccc2)s1 89314329 GTNUVDVSUOJQEG-PKNBQFBNSA-N 300.427 3.106 0 40 DGAB CCCC(C)(C)NC(=O)CCN1C(=O)CCc2cc(F)ccc21 89949443 FRFTZOXJHWUGCK-UHFFFAOYSA-N 320.408 3.190 0 40 DGAB CC[C@H](C)NC(=O)CCNCc1cc(Cl)cc2cccnc12 89942285 DRDSXCIBHOYVTQ-LBPRGKRZSA-N 319.836 3.283 0 40 DGAB C[C@H](c1cccc(O)c1)N(C)C(=O)Cc1c(F)cccc1F 89905265 MQDGYQPBOJJBDW-LLVKDONJSA-N 305.324 3.433 0 40 DGAB CCS[C@H]1CC[C@@H](NC(=O)N(C)Cc2csc(C)n2)C1 76088367 GXFLXWNYXLUGDW-YPMHNXCESA-N 313.492 3.267 0 40 DGAB CO[C@H](CN[C@@H](C)CCc1ccc(O)cc1)c1ccc(O)cc1 65748585 VPHOYLOAYAAPCO-IFXJQAMLSA-N 315.413 3.396 0 40 DGAB in-vitro O=C1C[C@@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1F 36635714 PWWZDMBHHPPRDO-CYBMUJFWSA-N 318.735 3.223 0 40 DGAB CC(C)c1nc(CC(=O)N[C@H]2CCOc3ccccc32)cs1 33219210 PZZKPCPJFVSMCC-AWEZNQCLSA-N 316.426 3.449 0 40 DGAB C[C@H](NC(=O)Nc1nccs1)c1cccc(-n2cccn2)c1 72930792 FPKHNRQHCVRFEU-NSHDSACASA-N 313.386 3.212 0 40 DGAB C[C@@H](NC(=O)c1ccncc1)c1ccc(-c2cncnc2)cc1 73251983 DJXAJLXUAJSIOY-CYBMUJFWSA-N 304.353 3.030 0 40 DGAB O=C(/C=C/c1cccs1)NC[C@@](O)(c1ccccc1)C1CC1 70966134 OAWKCSOHRZVAOB-DOJUMQAQSA-N 313.422 3.175 0 40 DGAB C1=C(CN2CCC[C@@H](c3cnccn3)C2)COc2ccccc21 72369387 SCVWAXSAXCTDRJ-QGZVFWFLSA-N 307.397 3.132 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)N[C@@H]1CCC[C@@H](O)C1 75156727 JELAGGVMRHKZEZ-HUUCEWRRSA-N 313.397 3.272 0 40 DGAB COC1(CNC(=O)c2cc3ccccc3o2)Cc2ccccc2C1 225719064 VSVWXNIOSRPCBZ-UHFFFAOYSA-N 321.376 3.347 0 40 DGAB COc1cccc(OCC(=O)N[C@@H](C)CCc2ccccc2)c1 44508915 XTWYOUJXHKPZHI-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB CCCCSc1nnc(SCc2nccc(N)n2)s1 532618789 AFEPOGCVJWCSDA-UHFFFAOYSA-N 313.477 3.095 0 40 DGAB O=C(c1cccc2c1CCC2)N1CCCCC[C@H]1c1ncon1 192586015 ANLBOMWFVRQCOS-INIZCTEOSA-N 311.385 3.316 0 40 DGAB Cn1cnc2ncnc(NCc3ccc(Cl)c(Cl)c3)c21 1665128 FVHBZHRGYYRTAN-UHFFFAOYSA-N 308.172 3.282 0 40 DGAB O=C(CC1=CCCCC1)N1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107720 CTNNPSBJJDQJLW-MJGOQNOKSA-N 319.445 3.064 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@@H](O)C[C@H]1c1ccc(F)cc1 583614653 OELNESRRSCFFDD-HOCLYGCPSA-N 315.344 3.244 0 40 DGAB O=C(c1cnccn1)N(c1ccccc1)C1Cc2ccccc2C1 96444904 MTCMEAMIGBBYDZ-UHFFFAOYSA-N 315.376 3.291 0 40 DGAB Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)N[C@@H]1CCSC1 96499647 OVWNRSAXHPOXHO-GZMMTYOYSA-N 307.385 3.218 0 40 DGAB CC[C@@H]1CCCC[C@@H]1OCC(=O)N[C@@H](C)c1cncc(F)c1 330912812 HZODFWCZYRDCAR-ZENOOKHLSA-N 308.397 3.383 0 40 DGAB Cc1cncc([C@H]2CCCN2C(=O)Cc2ccc3c(c2)CCC3)n1 257333378 YBICDJDZNIQSBX-LJQANCHMSA-N 321.424 3.180 0 40 DGAB CC(C)(C)C(=O)N1CCC(c2ccnc(-c3cc[nH]n3)c2)CC1 257219278 DGGWBZHXTWYKMA-UHFFFAOYSA-N 312.417 3.224 0 40 DGAB Cn1cncc1-c1cccc([C@@H]2CCCN(c3ccccn3)C2)n1 585261155 UPZUWAPHAKCUCH-OAHLLOKOSA-N 319.412 3.261 0 40 DGAB O=C(NCc1ccc(Cl)cc1)NC[C@@H](O)C1CCCCC1 69722603 SZSUEULKJPIWOQ-OAHLLOKOSA-N 310.825 3.080 0 40 DGAB CC(=O)Nc1nc(CSC[C@@H](O)c2ccccc2)cs1 49302614 HSSXFDMMLDZYML-CYBMUJFWSA-N 308.428 3.068 0 40 DGAB CCC1(CNC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 78357199 POYGETACVNHZOJ-HNNXBMFYSA-N 306.381 3.099 0 40 DGAB C[C@H](c1ccncc1)N1CCC(NC2Cc3ccccc3C2)CC1 90667232 SLICLXGGXUTWMH-MRXNPFEDSA-N 321.468 3.364 0 40 DGAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)[C@H]1CCOC1 93168643 LDKGITNYOVXXGZ-INIZCTEOSA-N 309.365 3.264 0 40 DGAB O=C(c1ccccc1)N1N=CC[C@@]1(O)c1ccc(Cl)cc1 5515549 NXDZUJYCYATEMF-MRXNPFEDSA-N 300.745 3.017 0 40 DGAB Cc1nc2ccccc2n1CC(=O)NC12CC3CC(CC(C3)C1)C2 5627881 QXLLAFBPRQPRSW-UHFFFAOYSA-N 323.440 3.430 0 40 DGAB C[C@@H]1NC(=O)C[C@@H](c2ccccc2)N(N=O)[C@@H]1c1ccccc1 5882891 QQAIQSYUNZHALI-OWQGQXMQSA-N 309.369 3.361 0 40 DGAB COc1ccccc1[C@H]1C[C@@H](c2ccccc2)Nc2ncnn21 13127497 IMAZCCKGMHERPG-JKSUJKDBSA-N 306.369 3.433 0 40 DGAB COc1ccc([C@H](O)c2cnc(C)n2Cc2ccccc2)cc1 13281741 HJAXDDABRHBYTA-IBGZPJMESA-N 308.381 3.330 0 40 DGAB CC(C)c1ncc(CN2CCC(N3CCC[C@@H](C)C3)CC2)cn1 19496486 BPXZSVZNFRFKPW-MRXNPFEDSA-N 316.493 3.296 0 40 DGAB CCOCc1nnc(NC(=O)c2ccc3oc(C)cc3c2)s1 19531328 OMVDHKSXVPCEKZ-UHFFFAOYSA-N 317.370 3.382 0 40 DGAB COc1cccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)c1 19565324 LSCJARFBTCSRKH-NEWSRXKRSA-N 312.457 3.025 0 40 DGAB CN1CCC(CCNC(=O)/C=C/c2ccc(Cl)cc2)CC1 156378705 DGUVEBKQBYTMCV-QPJJXVBHSA-N 306.837 3.201 0 40 DGAB C[C@@H]1CN(c2c(Cl)cc(N)cc2Br)C[C@@H](C)O1 226316261 WAYIDSXJQGPRPI-HTQZYQBOSA-N 319.630 3.298 0 40 DGAB COCC(=O)N1CCCCCCCCNCc2ccccc21 643587541 HLPKIKJNMWAFOF-UHFFFAOYSA-N 304.434 3.110 0 40 DGAB Cc1cccc(NC(=O)c2cc(C3CCOCC3)ncn2)c1C 1888850396 YTBORXXBBGTOPV-UHFFFAOYSA-N 311.385 3.240 0 40 DGAB C[C@@H](Cc1cc2ccccc2o1)NS(=O)(=O)c1cccs1 244986112 JGPPVWPJCDKBLW-NSHDSACASA-N 321.423 3.404 0 40 DGAB Cc1c(C(=O)C(=O)N(C(C)C)C(C)C)c2ccccc2n1C 4062372 AGNDNBGOJXLURK-UHFFFAOYSA-N 300.402 3.315 0 40 DGAB Cc1cc(NC(=O)c2ccsc2)ccc1N1CCCC1=O 11746432 FDMKCNUCLVGSEL-UHFFFAOYSA-N 300.383 3.436 0 40 DGAB CCOC(=O)Nc1nc(CC(=O)Nc2ccc(C)cc2)cs1 12881394 BWQQJGPNNKRANP-UHFFFAOYSA-N 319.386 3.201 0 40 DGAB O=C(NCC[C@H](O)c1ccccc1)c1cc(-c2ccccc2)on1 72243181 IDVSVGHTMRVFGB-KRWDZBQOSA-N 322.364 3.195 0 40 DGAB O=C(N[C@H]1CCC[C@@H](C(F)(F)F)C1)c1n[nH]c2ccccc12 22408854 PZHLRXBWJYFDTA-ZJUUUORDSA-N 311.307 3.414 0 40 DGAB CC(=O)N[C@@H](CC(=O)N[C@@H](C)CCC(C)C)c1cccs1 40032264 YZKAVJAWZVXNQY-JSGCOSHPSA-N 310.463 3.256 0 40 DGAB O=C(CCCOc1ccccc1Cl)NCCc1ccccn1 50298760 BMOGWLPZOQFBHO-UHFFFAOYSA-N 318.804 3.253 0 40 DGAB CN(Cc1ccccc1)C(=O)Cc1csc(-c2ccncc2)n1 31864938 CIPHCZUZDOKKCZ-UHFFFAOYSA-N 323.421 3.406 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)C(C)(C)C)c(C)s1 40510741 RCPXXPMCUIJHAA-QWRGUYRKSA-N 310.463 3.093 0 40 DGAB O=Cc1cn(CC(=O)Nc2ccc(F)c(F)c2)c2ccccc12 51318995 WTYQIEINANPHHL-UHFFFAOYSA-N 314.291 3.371 0 40 DGAB CN(Cc1nc2c(s1)CCCC2)C(=O)C1[C@H]2CCCC[C@H]12 101436847 PPTGQHYDJFRKKV-RYUDHWBXSA-N 304.459 3.417 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1ccc(F)c(Cl)c1 32579459 XACNOHYJKZQPRM-QMMMGPOBSA-N 316.760 3.331 0 40 DGAB CCC(C)(C)NC(=O)[C@H]1CC(=O)N(c2ccc(SC)cc2)C1 32909224 ASAQFUIAXHRKKJ-LBPRGKRZSA-N 320.458 3.066 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N1CCCN(Cc2cccs2)CC1 41363660 RKZBMONEASLLGI-UHFFFAOYSA-N 323.849 3.078 0 40 DGAB CC(=O)Nc1ccccc1C(=O)N1CCCC[C@@H]1c1cccnc1 525644 MRCPZURKPLPSES-GOSISDBHSA-N 323.396 3.407 0 40 DGAB biogenic C[C@@H](NC(=O)NCC(=O)c1ccc(F)cc1)[C@H]1C[C@H]2CC[C@H]1C2 104258256 IOXDTILFBOMQKW-TWJWRFFLSA-N 318.392 3.132 0 40 DGAB COc1ccc2oc(=O)c3c(c2c1)C[C@H](C(F)(F)F)S3 187750 VKBZVOBWNVQIJM-SNVBAGLBSA-N 302.273 3.381 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)NCc1ccc(F)cc1)CC2=O 1062374 LRUWSXPCOBBAIV-QZTJIDSGSA-N 303.377 3.227 0 40 DGAB O=C(C[C@H](c1ccccc1)N1CCCCC1)OC[C@H]1CCCO1 1569392 JPWQZUQDQORRCQ-QZTJIDSGSA-N 317.429 3.326 0 40 DGAB COc1cc(C(=O)NCc2ccccc2F)cc(OC)c1C 3287818 AUSBKCAOTFNBLQ-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB COc1ccccc1/C=C/C(=O)Nc1ccc(NC(C)=O)cc1 3315282 MRYANJBINJATGI-KPKJPENVSA-N 310.353 3.306 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nc1nnc(C2CC2)s1 3538468 JQLKLNRSOCVOJR-UHFFFAOYSA-N 312.398 3.468 0 40 DGAB COc1ccc([C@@H]2CC(c3ccccc3)=NN2C(C)=O)c(OC)c1 4194582 NIJUSBFWIMOEIS-SFHVURJKSA-N 324.380 3.401 0 40 DGAB Cc1ccc(C)c(N2C(O)=Nc3ccccc3S2(=O)=O)c1 4316137 IQEFNCUFFGTNLP-UHFFFAOYSA-N 302.355 3.058 0 40 DGAB Cc1c(C(=O)OCC(=O)N2CCC[C@@H](C)C2)oc2ccccc12 4463023 XRZLFOXNHLRFNQ-GFCCVEGCSA-N 315.369 3.157 0 40 DGAB Cc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)s1 4944837 GCYZINPHHUIESY-LLVKDONJSA-N 311.362 3.339 0 40 DGAB O=C(CCc1nc(-c2ccccc2Cl)no1)N1CCCCC1 6474241 UPSRCHODGKHVMG-UHFFFAOYSA-N 319.792 3.335 0 40 DGAB COc1ccc(-c2cc(-c3nnc4n3CCCCC4)[nH]n2)cc1 6566826 SCOMUTJXZGWQDF-UHFFFAOYSA-N 309.373 3.070 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccccc2OC)cc1OC 6763498 FMQKHBCZQJYNCF-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB CCCCn1c(SCc2nc3ccccc3s2)n[nH]c1=O 7344827 AYRIGTZWPJDHGE-UHFFFAOYSA-N 320.443 3.274 0 40 DGAB CCc1ccc(OC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1 7928655 YUUFETRQNONQHG-QGZVFWFLSA-N 323.392 3.203 0 40 DGAB COc1ccc(C(=O)Nc2cc(Cl)ccc2O)c(OC)c1 9095041 IEOWMHOLDJXDNG-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB Cc1csc(NC(=O)Cc2c(C)nn(CC(C)C)c2C)n1 10555380 FUUMMMKNJASCRK-UHFFFAOYSA-N 306.435 3.102 0 40 DGAB CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(N3CCCC3)ncc21 12242093 QIUBSXRNDPHORB-AWEZNQCLSA-N 316.449 3.007 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(NC(=O)C2CC2)s1 12931578 WFCYKGKJHAVAKJ-UHFFFAOYSA-N 314.410 3.369 0 40 DGAB O=C(Cc1cccs1)Nc1ccccc1N1CCCC1=O 13013251 JXRHQKGUXZALNM-UHFFFAOYSA-N 300.383 3.056 0 40 DGAB CC1CCC(NS(=O)(=O)c2ccc(F)c(Cl)c2)CC1 13058792 YIQGBDRAJAWEBC-UHFFFAOYSA-N 305.802 3.336 0 40 DGAB Oc1c(C2=NCCNC(C(F)(F)F)=C2)ccc2ccccc12 13126770 NQFWIIVFZUCWFL-UHFFFAOYSA-N 306.287 3.384 0 40 DGAB Cc1ccc2c(nc3s/c(=C\c4ccccc4F)c(=O)n32)c1C 13285579 GTKARBPHOQBNFV-DHDCSXOGSA-N 324.380 3.213 0 40 DGAB Cc1ccc(CNS(=O)(=O)Cc2ccc(Cl)cc2)cc1 14011044 UWWSAKCKNAVQMP-UHFFFAOYSA-N 309.818 3.268 0 40 DGAB O=C1NC(c2cccc(F)c2)=N/C1=C\c1ccc(Cl)cc1 16399129 FDQKLAXVKPBESF-ZSOIEALJSA-N 300.720 3.397 0 40 DGAB Cc1cc(C)cc(N2C(=O)CS[C@]23C(=O)Nc2ccccc23)c1 17138785 OFWHSUNPXOWNHQ-GOSISDBHSA-N 324.405 3.188 0 40 DGAB CSc1nc2nc(C)c(Cc3ccccc3Cl)c(O)n2n1 18077409 GSUFLIAISXRHMO-UHFFFAOYSA-N 320.805 3.104 0 40 DGAB O=C(Nc1ncccc1O)c1ccc2c(c1)C(=O)c1ccccc1-2 23240306 SOBVLRNZCJGSPQ-UHFFFAOYSA-N 316.316 3.251 0 40 DGAB Cc1ccc(OCCN(C)C(=O)c2ccc3[nH]cnc3c2)cc1 24184807 PJCLYSWZSCGVIC-UHFFFAOYSA-N 309.369 3.022 0 40 DGAB O=C(NCc1ccc(C(=O)N2CCCC2)cc1)Nc1ccccc1 25314434 LVCOTDOBPZKVHS-UHFFFAOYSA-N 323.396 3.244 0 40 DGAB CC1CCC(NC(=O)CCc2nnc(-c3ccsc3)o2)CC1 30866202 PQQUINYIUORCFH-UHFFFAOYSA-N 319.430 3.426 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)N1CCCCCC1)[C@H]2C(=O)O 35898194 HUDUFLMCJZOISQ-XNISGKROSA-N 305.418 3.082 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1C 41852907 LLNAENKFWHIXGK-UHFFFAOYSA-N 302.418 3.329 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)C1(c2ccc(F)cc2)CCCC1 42534102 OOYMILUIKUTPMU-AWEZNQCLSA-N 315.392 3.039 0 40 DGAB O=C(NCc1ccoc1)N(Cc1cccs1)C[C@H]1CCCO1 47088100 JHRDKYVINZIGBL-CQSZACIVSA-N 320.414 3.232 0 40 DGAB COc1ccccc1CN(Cc1nnsc1Cl)C1CC1 48253171 OBBWSWNFXOFYRG-UHFFFAOYSA-N 309.822 3.365 0 40 DGAB Cc1cc(C(=O)NCC2(c3ccc(F)cc3)CCCC2)on1 48333707 CRZFVWPUMWMYTF-UHFFFAOYSA-N 302.349 3.364 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(F)cc2Cl)n1 48404262 FHHCLNROIDQXAL-JTQLQIEISA-N 323.799 3.359 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@H]2CCC[C@@H]21 53381055 OCJGDSJYENLRJS-GJZGRUSLSA-N 312.369 3.044 0 40 DGAB Cc1ccc(N(C)S(=O)(=O)c2cc(F)ccc2F)c(C)c1 55667826 GXDOCAVEQRZBFI-UHFFFAOYSA-N 311.353 3.407 0 40 DGAB O=[N+]([O-])c1cc(/C=N/Nc2ccc3ccccc3n2)ccc1O 57411502 YFPPGPLKJRUCLH-LICLKQGHSA-N 308.297 3.295 0 40 DGAB CCn1c(CN(C)C(=O)c2ccccc2F)nc2ccccc21 58277715 XYBRRPSKUNBOHK-UHFFFAOYSA-N 311.360 3.468 0 40 DGAB C[C@@H](NC[C@@H]1CNc2ccnn2C1)c1cccc(C(F)(F)F)c1 58296406 HSQXVJOLVOWATQ-VXGBXAGGSA-N 324.350 3.294 0 40 DGAB CC(C)Oc1ccc(Cn2cnc3ccsc3c2=O)cc1 58368055 JAENKNFERGKTMN-UHFFFAOYSA-N 300.383 3.294 0 40 DGAB O=C(Nc1nc2ccccc2s1)N(C[C@H]1CCOC1)C1CC1 58391398 ZVQLIOZKWVILBY-LLVKDONJSA-N 317.414 3.329 0 40 DGAB COc1cc(Cl)cc2c1OCC(=O)N(Cc1ccccc1)C2 65184548 CCKQNOPTDSYRTO-UHFFFAOYSA-N 317.772 3.270 0 40 DGAB COc1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1Cl 65514757 IPXVMDLPKCSOCH-NEPJUHHUSA-N 302.761 3.486 0 40 DGAB CCc1ccc(-n2cc(C(=O)N[C@H](C)c3ccccc3)nn2)cc1 67262116 YLKAVZSXLJSCNU-CQSZACIVSA-N 320.396 3.321 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ccccc2F)C1 67801285 AYYXKFMEIZHHDU-CQSZACIVSA-N 308.397 3.315 0 40 DGAB COc1cccc(NC(=O)N2CCC[C@H]2CN2CCCCC2)c1 69221180 NVEQSNTZIGTFPC-INIZCTEOSA-N 317.433 3.177 0 40 DGAB COCCc1noc(CSc2cc(C)c3ccccc3n2)n1 69374731 VDRIPUCDOOJMGL-UHFFFAOYSA-N 315.398 3.407 0 40 DGAB O=C(c1ccc(-n2cccc2)cc1)N1CCC[C@H](n2ccnc2)C1 69657176 VGYIDRJADMKSMQ-SFHVURJKSA-N 320.396 3.151 0 40 DGAB C[C@H](N)[C@@H]1CCCN(C(=O)c2ccc(Cl)c(Cl)c2)C1 70172475 JNSZDWGUOHDHDI-GXSJLCMTSA-N 301.217 3.193 0 40 DGAB C[C@](O)(CNC(=O)/C=C/c1ccccc1Cl)c1ccccc1 70639603 DAZXCZCGKIJRNJ-DXRVJIQQSA-N 315.800 3.377 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2ncc(Cl)n2C)cc1 71885724 YVKBSGAQJSNHKR-CQSZACIVSA-N 305.809 3.419 0 40 DGAB C[C@@H]1C[C@@H](OC(=O)C2c3ccccc3Oc3ccccc32)C(=O)O1 72274605 LBZDDBAUOMWBSB-BDJLRTHQSA-N 324.332 3.171 0 40 DGAB Cc1ccc(C[C@H](NC(=O)c2c[nH]c(C)n2)c2ccccn2)cc1 72286331 NBUKPLURZCZHQT-KRWDZBQOSA-N 320.396 3.135 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@@H](Cc3cccnc3)C2)s1 72385621 GGYSENIYIQYNNO-HNNXBMFYSA-N 315.442 3.250 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@H]2c2noc(C)n2)c(C)o1 76043409 FZFALAOPYHXNQC-HZMBPMFUSA-N 303.362 3.055 0 40 DGAB Fc1ccc(-c2c[nH]c(CNc3cncc(Cl)n3)n2)cc1 79017183 LGQAIWPWKBIWKU-UHFFFAOYSA-N 303.728 3.271 0 40 DGAB COCc1cc(C(=O)N2CC3(CCCC3)c3ccccc32)no1 81578197 VBOQLYJKCREDGV-UHFFFAOYSA-N 312.369 3.293 0 40 DGAB Cc1nn(C(F)F)c(C)c1CC(=O)Nc1ccc(F)c(F)c1 84008520 MHXYAHZMZHSADD-UHFFFAOYSA-N 315.270 3.354 0 40 DGAB COC(=O)[C@H](C)CNC(=O)Nc1cc(-c2ccco2)ccc1F 84638413 FLUKFLYGKJLALQ-SNVBAGLBSA-N 320.320 3.016 0 40 DGAB c1ccc2oc(N3CCC(c4nncn4C4CC4)CC3)nc2c1 89874935 LGHQQWNVVWDEHF-UHFFFAOYSA-N 309.373 3.138 0 40 DGAB O=C(NCCCn1ccnc1)[C@@H]1C[C@H]1c1ccc2ccccc2c1 89878735 PDJFUEDSJUUHGP-RBUKOAKNSA-N 319.408 3.346 0 40 DGAB COC(=O)C1(c2ccccc2Br)CCC(=O)CC1 90513068 UKSOYSAQBSLLON-UHFFFAOYSA-N 311.175 3.003 0 40 DGAB CN(Cc1ccc(Oc2cnccn2)cc1)Cc1nccs1 93582763 YJLKFPJJEZRGJT-UHFFFAOYSA-N 312.398 3.357 0 40 DGAB CC[C@@H](O)CN(Cc1ccccc1)Cc1cccc2c1OCO2 93687911 KJYUOSXWVRUSEG-QGZVFWFLSA-N 313.397 3.188 0 40 DGAB Cc1cccc(NS(=O)(=O)c2cc(F)cc(F)c2)c1F 95068027 YILAPCSVGRIBNO-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CCOc1cc(CN[C@H](C)c2ccc([S@](C)=O)cc2)ccn1 95420327 QVGXJNYLPAUNTH-MCMMXHMISA-N 318.442 3.069 0 40 DGAB CCc1sc(=O)n(CN2CCCCC2=O)c1-c1ccccc1 96004644 OIFTXWAFUPUEEN-UHFFFAOYSA-N 316.426 3.109 0 40 DGAB Cc1csc(-c2cccc(NC(=O)NC[C@@H]3CCOC3)c2)n1 96403213 RARFHMSRMNVWOZ-LBPRGKRZSA-N 317.414 3.277 0 40 DGAB Cc1cc(CSCc2nnc(Cc3ccccc3)o2)on1 96433402 UQCZYZPDLAXIFN-UHFFFAOYSA-N 301.371 3.390 0 40 DGAB O=C(NC[C@H]1CCOc2ccccc21)c1ccncc1Cl 96443684 YRGGJCHEXSTZPQ-LLVKDONJSA-N 302.761 3.031 0 40 DGAB CC(C)OCCCNC(=O)c1c(F)cccc1Br 96454146 VXALZKFMVYOCGW-UHFFFAOYSA-N 318.186 3.133 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@H]2CC(C)(C)Cc3occc32)C1 96479356 XKSOWUJRVZZBFR-HIFRSBDPSA-N 304.434 3.140 0 40 DGAB O=C1CCCN1CC[C@@H]1CN(Cc2ccco2)c2ccccc21 97057706 AIPWCUNHZKZEPA-OAHLLOKOSA-N 310.397 3.396 0 40 DGAB CCOC(=O)[C@H](Cc1ccccc1)Nc1cccc(COC)c1 97141389 IELFMEIUIYFQFK-SFHVURJKSA-N 313.397 3.419 0 40 DGAB c1ccc2sc(N3CCO[C@H](c4nccs4)C3)nc2c1 97203822 CWOKPXJAMDPFKJ-NSHDSACASA-N 303.412 3.331 0 40 DGAB COc1cc([C@@H]2C[C@]3(C)OC(=O)[C@@H]2C[C@@H]3C)cc(OC)c1OC 100400418 BFQBLOYFZKCMNH-UQGFQMMYSA-N 320.385 3.158 0 40 DGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@@H]2C=C[C@@H]1C21CC1 101390184 ASDPUUJYSFIGGI-XUXIUFHCSA-N 317.772 3.192 0 40 DGAB C[C@]12CC[C@H](O)C[C@H]1CC[C@@H]1[C@@H]2[C@H](O)C[C@@]2(C)[C@H]1CC[C@@]2(C)O 118931951 DKUUGJBEWAAWFQ-IRMIEHFUSA-N 322.489 3.112 0 40 DGAB C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@@H]1COc2ccccc21 189673880 ZIZRYZUAKOENEV-IPYPFGDCSA-N 320.458 3.088 0 40 DGAB CC[C@@H](C)Oc1ccc(NC(=O)NCC2(C)OCCCO2)cc1 192208144 VARPHTAQJCKGRF-CYBMUJFWSA-N 322.405 3.139 0 40 DGAB CSc1nnc(NC(=O)[C@H](C)Oc2cc(C)ccc2C)s1 222781286 MCTQXUUSSOHNTI-JTQLQIEISA-N 323.443 3.283 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)NCCSC2CCCC2)c1 223214572 GPUUVTKMKMJXJN-ZDUSSCGKSA-N 323.458 3.255 0 40 DGAB CCC(=O)N(Cc1ccccc1F)[C@@H](C)C(=O)NC1CCCC1 224701812 ZCRGOSBAXVOYMU-ZDUSSCGKSA-N 320.408 3.012 0 40 DGAB COc1ccc(C(=O)NCCc2ccc(F)cc2)cc1Cl 225127002 DAAYNGPRDRAQBC-UHFFFAOYSA-N 307.752 3.460 0 40 DGAB CC[C@H](C)NC(=S)Nc1ccc(Cl)c(C(=O)OC)c1 225272168 SGQYMGILRDULHO-QMMMGPOBSA-N 300.811 3.212 0 40 DGAB COc1ccc(NC(=S)N[C@@H](C)CCc2ccccc2)cn1 225516581 DPZUPBXEFQCBBN-ZDUSSCGKSA-N 315.442 3.398 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2ccc(OC)c(N)c2)cc1 226272362 QFUUUENRCMKQJB-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB CC(=O)N1CCC[C@H](Cc2ccnc(-c3nc(C)cs3)c2)C1 257239140 HOCXNHXYQYXBCI-OAHLLOKOSA-N 315.442 3.315 0 40 DGAB Cc1ncsc1CN1CC[C@H](c2ncn3ccsc23)C1 257283825 OZZKIKVKNKDXOF-NSHDSACASA-N 304.444 3.150 0 40 DGAB Cc1cc(C)nc(N2CCC[C@@H]2c2cccc(-n3ccnc3)n2)n1 257297154 RGCXECWFUJBRHD-MRXNPFEDSA-N 320.400 3.016 0 40 DGAB O=C(/C=C/c1ccc[nH]1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 287740323 GPWFWXJZETXTKA-NFTNHMJPSA-N 322.408 3.059 0 40 DGAB Cc1cc(NC(=O)Cn2c(=O)oc3ccccc32)ccc1Cl 408599182 FPZJQNAYJSLLJA-UHFFFAOYSA-N 316.744 3.195 0 40 DGAB O=C(NCC1(C(=O)O)CCC1)c1ccccc1Nc1ccccc1 532263056 UCWVRZZHMFKSCS-UHFFFAOYSA-N 324.380 3.415 0 40 DGAB O=C(NCc1nccnc1-c1ccoc1)Nc1cccs1 575621493 YLOJNHUEFCOTCG-UHFFFAOYSA-N 300.343 3.120 0 40 DGAB O[C@H](CNc1ncc(Cl)cn1)c1ccc(C(F)(F)F)cc1 808072121 WNLZWVTVKXXMKL-LLVKDONJSA-N 317.698 3.294 0 40 DGAB O=C(Nc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1775976048 UQZZJGPRIKVIFW-GJZGRUSLSA-N 314.364 3.422 0 40 DGAB c1ccc2c(N3CCC(COc4cnccn4)CC3)ccnc2c1 1889186335 VFAZUQDGVYNVSE-UHFFFAOYSA-N 320.396 3.320 0 40 DGAB CC(C)c1nccn1CC1CN(c2ncnc3ccccc23)C1 2087144431 CTBHVHBJAJILNR-UHFFFAOYSA-N 307.401 3.086 0 40 DGAB NC(=O)c1cccc(CN2CCCc3cc(Cl)ccc32)c1 47461824 LESWGJQDKPQRLM-UHFFFAOYSA-N 300.789 3.392 0 40 DGAB Cc1ccc(S(=O)(=O)c2n[nH]c3ccc(Cl)cc23)cc1 116152 FWIWCUYCSLRFKW-UHFFFAOYSA-N 306.774 3.358 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)CCc2ccccc2)c1 148397 AYGDMTWCWGMMBZ-UHFFFAOYSA-N 311.381 3.418 0 40 DGAB COC(=O)c1ccc([C@H]2NC(=O)c3c(sc(C)c3C)N2)cc1 174031 KCLNLMWODZAWJN-ZDUSSCGKSA-N 316.382 3.006 0 40 DGAB CC(=O)Nc1cccc(N[C@H](C)C(=O)Nc2ccccc2C)c1 12554509 HXAVIRGRLOKOCZ-CYBMUJFWSA-N 311.385 3.393 0 40 DGAB CCOc1cc2c(cc1Cc1ccc(OC)cc1OC)OCO2 1591339 XRDKRZBEOOYRAQ-UHFFFAOYSA-N 316.353 3.422 0 40 DGAB COc1ccc([C@@H](C)NCc2cccc3c2OCCO3)cc1F 42796651 NOFMNCSGFNZMGD-GFCCVEGCSA-N 317.360 3.456 0 40 DGAB COC(=O)[C@]1(Cc2ccccc2)Cc2cc3c(cc2C1=O)CCC3 6006594 BJPDQRNMKBWSCQ-OAQYLSRUSA-N 320.388 3.316 0 40 DGAB Cc1ccc(/C=C/C(=O)N(C)Cc2ccc3c(c2)OCCO3)o1 24972021 NTHRWKNGNMHPJO-SOFGYWHQSA-N 313.353 3.031 0 40 DGAB Cn1ccnc1[C@H](NC(=O)NCc1ccccc1)c1ccccc1 25123153 MPPDXOKLOGYEHX-QGZVFWFLSA-N 320.396 3.009 0 40 DGAB C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@@H]1CCCO1 8221204 XLOFOCLJKDBQEV-CABZTGNLSA-N 302.296 3.394 0 40 DGAB COc1ccc(-c2nnc(S[C@H]3CCSC3)o2)cc1OC 521394989 LYRNKKTVNNJDQL-JTQLQIEISA-N 324.427 3.351 0 40 DGAB CN(C)C(=O)c1nn(-c2ccc(Cl)cc2Cl)c2c1CCC2 89312069 XOMVZHLLOCRSFF-UHFFFAOYSA-N 324.211 3.370 0 40 DGAB CC(=O)C(SC(=S)Nc1ccc(Cl)cc1)C(C)=O 100034002 ZCGOXTBCXGIRDE-UHFFFAOYSA-N 301.820 3.317 0 40 DGAB O=C(CN1CCN(c2ccccc2)CC1)c1c[nH]c2ccccc12 35898234 QLWTTZVIGSBMGZ-UHFFFAOYSA-N 319.408 3.173 0 40 DGAB CCC[C@H](C)N(C)C(=O)N[C@H](CC(=O)N(C)C)c1ccccc1 58175403 HPUHOPPRCDXVDC-GOEBONIOSA-N 319.449 3.036 0 40 DGAB C[C@H]1C(=O)N2CCCc3cc(NC(=O)c4cccs4)cc1c32 101078519 CMUQXWGMFHSSBK-SNVBAGLBSA-N 312.394 3.397 0 40 DGAB CC(C)c1nnc(CN2CCN(c3cccc(Cl)c3)CC2)o1 58291804 GWPLQWLMAAGBBW-UHFFFAOYSA-N 320.824 3.169 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)CCc2cccc(F)c2F)cc1 58281927 IKWZQUIFUHLNJX-INIZCTEOSA-N 319.351 3.056 0 40 DGAB COc1ccc(NC(=O)c2cc(N)ccc2Cl)cc1OC 20017122 ZZKBDBLFFZZBJW-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CN(C)CCCNc1ncnc2c1[nH]c1ccc(Cl)cc12 2215787 UHTVPQWQIHWWGR-UHFFFAOYSA-N 303.797 3.128 0 40 DGAB OC1(c2nc(Cc3ccccc3Cl)no2)CCSCC1 95943498 RLQNDUPOFVDVPK-UHFFFAOYSA-N 310.806 3.028 0 40 DGAB Cc1cscc1C(=O)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 176113504 KHUWMWJMFSDXED-GFCCVEGCSA-N 324.446 3.186 0 40 DGAB Cc1ccccc1[C@@H]1C=C(C(=O)O)Nc2nc3ccccc3n21 102243909 LYEADBZVJWTDFX-INIZCTEOSA-N 305.337 3.328 0 40 DGAB COc1ccc([C@H](C)NC(=O)N2CCCCCC2)c(OC)c1 46080220 JRPGWGGVXYXUOQ-ZDUSSCGKSA-N 306.406 3.350 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)Nc2cc(C)on2)cc1Cl 12893082 RLCLOIVJDKKOFV-VIFPVBQESA-N 309.753 3.084 0 40 DGAB CCOc1ccc(NC(=O)C23C[C@@H]4C[C@H](CC(O)(C4)C2)C3)cc1 102923739 DDBPPLROZBHLGF-IHWOHKJGSA-N 315.413 3.355 0 40 DGAB Cc1ccccc1NC(=O)[C@H](NC(=O)c1ccccc1)C(C)C 3481619 NVYJXRRPEMDADO-QGZVFWFLSA-N 310.397 3.388 0 40 DGAB CC1(C)CC(NC(=O)c2ccn(C3CCCC3)n2)CC(C)(C)N1 28223023 WCRGODLHAHFATD-UHFFFAOYSA-N 318.465 3.037 0 40 DGAB O=c1c2ccsc2ncn1Cc1cccc(Br)c1 13019228 PYPDJZWGOLNRML-UHFFFAOYSA-N 321.199 3.269 0 40 DGAB CC/C=C(\C)C(=O)NCc1cccc(C(=O)N[C@@H](C)CC)c1 49126681 QEQIOMYZFKSWHK-CZAWJFPGSA-N 302.418 3.187 0 40 DGAB O=C(O)C[C@@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 13389096 UVNAMUYFEJDQFE-GFCCVEGCSA-N 323.801 3.276 0 40 DGAB O=C(c1ccccc1O)N1CCN(c2cccc(Cl)c2)CC1 9221469 AISRXNZJZHWICI-UHFFFAOYSA-N 316.788 3.008 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=S)Nc2ccc(C)cc2C)C1 13470933 TZBYMJWEZMEWGU-AWEZNQCLSA-N 320.458 3.275 0 40 DGAB CCn1ccnc1/C=C/C(=O)N1CCC[C@@H]1Cc1ccc(C)cc1 95448435 HTCGKMCXXYIDLK-DOJUMQAQSA-N 323.440 3.458 0 40 DGAB Cc1sc(-n2cccc2)c(C(=O)NC2CCOCC2)c1C 64997650 QKPPVFHESVDLIL-UHFFFAOYSA-N 304.415 3.064 0 40 DGAB O=C(Nc1ccc(CC(=O)N2CCCC2)cc1)c1ccccc1 13714322 WFKZREVQERDBLU-UHFFFAOYSA-N 308.381 3.104 0 40 DGAB CC(=O)c1cc(C(=O)Nc2cccc(-c3cnco3)c2)n(C)c1 65158698 JFBHTLRHYZDKSZ-UHFFFAOYSA-N 309.325 3.135 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2ccc(C)cc2F)cc1 4349697 XLXPHHBTUHAXKN-UHFFFAOYSA-N 316.332 3.110 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2c[nH]cc2C)c1 65529474 YHRLQOVQBDZMQD-INIZCTEOSA-N 314.385 3.318 0 40 DGAB C/C=C/C[S@](=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 95417652 JJRXZCJPRGXEQU-VJPMOROCSA-N 313.850 3.184 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)c2ccc3c(c2)CCC3)n1 14162226 DECQCSOQTROPGD-UHFFFAOYSA-N 301.415 3.392 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CNC(=O)Cc1cccs1 14186480 WFYBVSTZIZHFFS-UHFFFAOYSA-N 322.817 3.007 0 40 DGAB Cc1ccc(Nc2nn[nH]c2C(=O)NC2CCCCC2)cc1C 67283849 YHYHYFQZMZLUSL-UHFFFAOYSA-N 313.405 3.228 0 40 DGAB Cc1cc(C)c([C@@H]2NC(N)=Nc3nc4ccccc4n32)cc1C 7127828 DMCWSKNEYBXJGT-MRXNPFEDSA-N 305.385 3.058 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2c2cnn(C)c2)oc2ccccc12 71796934 DJWDSVWVOSYOGL-HNNXBMFYSA-N 309.369 3.452 0 40 DGAB CCc1ccc(NCc2nnc(C(C)C)o2)c(C(=O)OC)c1 96480867 PGWVMGNVKXLRKK-UHFFFAOYSA-N 303.362 3.154 0 40 DGAB Cc1nc(CNCc2ccc(-n3ccnc3C)c(F)c2)cs1 67977632 ZRXPVIYRFXNZJA-UHFFFAOYSA-N 316.405 3.375 0 40 DGAB CC(C)C1CCN(C(=O)Nc2nnc(C(F)(F)F)s2)CC1 96433848 SVHMAUYCFCZQHE-UHFFFAOYSA-N 322.356 3.457 0 40 DGAB COc1ccc(C(=O)Nc2ccnn2C2CCCC2)cc1OC 8075386 ZQLSSROPRPALDQ-UHFFFAOYSA-N 315.373 3.268 0 40 DGAB CCOc1ccccc1CN1C(=O)C(=O)c2cc(Cl)ccc21 8059812 SAJCFAKDJSUMNI-UHFFFAOYSA-N 315.756 3.468 0 40 DGAB c1ccc(OCCCSc2nncn2Cc2ccco2)cc1 69328131 DYECHZSXGBXNBH-UHFFFAOYSA-N 315.398 3.481 0 40 DGAB Cc1c(NC(=O)N[C@@H](C)[C@@H]2CCCO2)cccc1OC(F)F 71854980 WSCPRMZPYZAUNV-GWCFXTLKSA-N 314.332 3.285 0 40 DGAB Cc1ncccc1OCC(=O)Nc1ccccc1OC(F)F 97082585 DGMVDDLAHFVMBY-UHFFFAOYSA-N 308.284 3.009 0 40 DGAB COP(=O)(Cc1ccc(Br)cc1[N+](=O)[O-])OC 95725477 GJIYFBGXDACQON-UHFFFAOYSA-N 324.067 3.343 0 40 DGAB COc1ccccc1NC(=O)N1C[C@@H](O)C[C@H]1C1CCCCC1 72285612 WFVNFXAGWFFQGN-HOCLYGCPSA-N 318.417 3.243 0 40 DGAB CCNC(=O)CCC(=O)Nc1ccc(OC2CCCC2)c(F)c1 72297716 YSOMBFJKKLDXKW-UHFFFAOYSA-N 322.380 3.002 0 40 DGAB CC(C)(C)n1nccc1NS(=O)(=O)/C=C/c1ccccc1 97164900 HUDHTHQYMPWDPO-ZRDIBKRKSA-N 305.403 3.051 0 40 DGAB CS(=O)(=O)CCCOc1ccccc1SC(F)(F)F 89484272 YSCAFBNPQUCHPB-UHFFFAOYSA-N 314.350 3.112 0 40 DGAB COCc1nc(CNc2cccc(Cn3cccn3)c2)cs1 89420405 YTQBLJFUSKGDMO-UHFFFAOYSA-N 314.414 3.146 0 40 DGAB COCCOc1ccccc1NCc1nnc(C(C)(C)C)o1 86203531 ZAXJHJKBZKLUPE-UHFFFAOYSA-N 305.378 3.004 0 40 DGAB Cc1ccccc1NC(=O)c1cn(C)c2ccc(F)cc2c1=O 22236209 RYBHHYXJMNCKHI-UHFFFAOYSA-N 310.328 3.238 0 40 DGAB C[C@H](NC(=O)N[C@@H]1CCC[C@H](C(F)(F)F)C1)C1CCOCC1 89894376 HBAPXKDIPMBQQM-WCFLWFBJSA-N 322.371 3.222 0 40 DGAB Cc1cc(NC(=O)[C@H](C)SCCOc2ccc(F)cc2)on1 75584306 SAVHGIAIMLPITD-NSHDSACASA-N 324.377 3.261 0 40 DGAB C[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)N1CCCCC1 28649026 LQKPZTLPAOATPD-AWEZNQCLSA-N 316.445 3.115 0 40 DGAB CC[C@@H](Oc1cccc(OC)c1)C(=O)NCc1cccc(C)c1 20047337 XLGFSTFOEAGLGI-GOSISDBHSA-N 313.397 3.477 0 40 DGAB C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccc(N2CCCC2=O)cc1 68657528 AHDLNHSKZOANFP-LSDHHAIUSA-N 312.413 3.347 0 40 DGAB CCn1ccc2ccc(NC(=O)N3CC[C@H](CN(C)C)C3)cc21 127043818 FCKSYWRVRTVIMY-CQSZACIVSA-N 314.433 3.077 0 40 DGAB CCC(CC)n1ncc(C(=O)N[C@H]2C[C@@H]2c2cccnc2)c1C 521394090 CZHXULMPDMDISW-WBVHZDCISA-N 312.417 3.234 0 40 DGAB Cc1cc(O)nc2cc(NC(=O)CCCn3cccc3)ccc12 524735729 VANJYTDRRWKFRL-UHFFFAOYSA-N 309.369 3.469 0 40 DGAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1cccc(Cl)c1F 38671086 YJCYTCLBGDPUQR-VIFPVBQESA-N 321.739 3.260 0 40 DGAB Cc1ccc(NC(=O)Cc2cccs2)cc1N1CCCC1=O 38696776 BHDXILGRZTYBEL-UHFFFAOYSA-N 314.410 3.365 0 40 DGAB CCOc1ccc(NC(=O)CN2CCc3sccc3C2)cc1 10341102 NITPGWPVAUAUPR-UHFFFAOYSA-N 316.426 3.144 0 40 DGAB C[C@]1(c2ccc(F)cc2)CCN(C(=O)CCc2cccnc2)C1 564822175 IMAYSNOMQKQWIT-IBGZPJMESA-N 312.388 3.344 0 40 DGAB CCO[C@@H](C)C(=O)Nc1ccc(F)cc1OCC(F)(F)F 70868444 HISBQOYHOGSHGC-QMMMGPOBSA-N 309.259 3.130 0 40 DGAB CCOc1ncc(NC(=O)C2(OC)CCC(C)CC2)cc1C 225891008 RPEWHJXUPGVNMO-UHFFFAOYSA-N 306.406 3.323 0 40 DGAB CCCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NC(C)C 225573539 YDEPUQFCVHUBQQ-ZDUSSCGKSA-N 324.852 3.382 0 40 DGAB COc1ccc(C(=O)NC2CC2)cc1COc1ccc(C)cc1 224118946 VLMSZUZXPVHYQR-UHFFFAOYSA-N 311.381 3.475 0 40 DGAB COc1cccc2c1N(C(=O)c1snnc1C)CC[C@@H]2C 225418468 IGNVRFCQVLJWTM-VIFPVBQESA-N 303.387 3.009 0 40 DGAB Nc1ccccc1-c1nnc(COc2ccc(F)cc2F)o1 85386248 XBJBVQMIRINUSK-UHFFFAOYSA-N 303.268 3.176 0 40 DGAB CN(C(=O)C(F)(F)F)c1ccc(N2CCCC2)c(Cl)c1 226276160 YGQRTBMXZRSNOI-UHFFFAOYSA-N 306.715 3.465 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)C(=O)NC1CCCCCC1 48651957 KDPWYNQDDOKUCB-UHFFFAOYSA-N 308.809 3.426 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 222947349 WSKZMQDMDZTUKB-GJZGRUSLSA-N 301.415 3.447 0 40 DGAB O=C(C[C@H]1C=CCC1)NCCc1nc(C(F)(F)F)cs1 96432809 SEEHCSNVAPVLFC-VIFPVBQESA-N 304.337 3.177 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 95915146 COPPXGCQBWZDAL-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB Fc1cccc(CN2C[C@@H]3CN(Cc4cccs4)C[C@H]3C2)c1 96053851 XTCYPGILFWGFKQ-HZPDHXFCSA-N 316.445 3.451 0 40 DGAB CCN(CC)[C@H]1CCO[C@]2(CCN(Cc3ccsc3)C2)C1 96206181 QDHPLFQSJNMHEM-DLBZAZTESA-N 308.491 3.213 0 40 DGAB c1cncc(CN2C[C@H]3CCC[C@@H](CNc4ccncc4)[C@H]3C2)c1 96081938 DXABWUKLVGZTBK-NLWGTHIKSA-N 322.456 3.437 0 40 DGAB O=C(NCc1ccccc1OCC1CC1)[C@H]1C[C@H]1c1cccnc1 96416766 AKCFOQNGHPLJON-ROUUACIJSA-N 322.408 3.290 0 40 DGAB CC[C@H](C(=O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96518090 YDQHCRSFQFKXDV-LLVKDONJSA-N 309.214 3.389 0 40 DGAB Cc1nc(C)c(C(=O)NCc2ncc(-c3ccccc3)[nH]2)s1 96404064 IKIYZJKBYFHAMZ-UHFFFAOYSA-N 312.398 3.080 0 40 DGAB O=C(O)c1cc2cc(Br)cc(Br)c2[nH]1 3748648 KZKSMNYAGBPYPP-UHFFFAOYSA-N 318.952 3.391 0 40 DGAB C[C@H](C[C@@H](O)c1cccs1)NCc1nc2ccccc2n1C 95448910 HSFGKEDTYJPKKN-IUODEOHRSA-N 315.442 3.237 0 40 DGAB Cn1nccc1CN1CC[C@H](Cc2ccnc3ccccc23)C1 257344181 ZWBPORIEGNZOAD-OAHLLOKOSA-N 306.413 3.033 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2c2ccc(CN(C)C)cn2)c1 257327096 WZXFVRCNPKVCNO-LJQANCHMSA-N 323.440 3.429 0 40 DGAB Cc1nc(-c2cnc(C)n2C)cc([C@@H]2CCCN(C(C)C)C2)n1 257205929 BBCIDNGCUJANCV-OAHLLOKOSA-N 313.449 3.082 0 40 DGAB Cc1cncc([C@H]2CCCN2Cc2nc3ccccc3n2C)n1 257320900 VZDJAQPBZPINMA-QGZVFWFLSA-N 307.401 3.009 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1cccc[n+]1[O-] 64090038 FGCOUHZTBFIXBZ-UHFFFAOYSA-N 311.366 3.059 0 40 DGAB O=C(Nc1ccccc1Cl)N1CC[C@@H](Oc2ccncc2)C1 127497487 VGYHDIBZQVOWKT-CYBMUJFWSA-N 317.776 3.420 0 40 DGAB c1cc(CN2CCC3(CC2)OCC[C@@H]3CCOCC2CC2)co1 585103394 AWFVMAQBXQPAQJ-SFHVURJKSA-N 319.445 3.467 0 40 DGAB CCN(C(=O)C1CC1)[C@H](c1cccnc1)c1ccc2c(c1)CCO2 95396132 YQPCCMLWFFYFOZ-IBGZPJMESA-N 322.408 3.364 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)COc1ccccc1F 5860662 ZFPBKOQILMWVAH-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2cc3cc(C)ccc3[nH]c2=O)cc1 5184923 OSELKCOBQFZWON-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB Cc1ccc(CCCNC(=O)/C=C/c2ccc3c(c2)OCO3)cc1 13671353 HHRPSSGMQZIQPN-PKNBQFBNSA-N 323.392 3.486 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)O)cc2C)c1 14097301 CQXALDOWNRJHBN-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB NC(=O)CCc1csc2nc(-c3ccc(Cl)cc3)cn12 16848923 VOEFFPUQQCYIPC-UHFFFAOYSA-N 305.790 3.134 0 40 DGAB Cn1c(CN2CCC[C@@H](c3nccs3)C2)nc2ccccc21 157023682 TZYYPKNPMAAVFZ-CYBMUJFWSA-N 312.442 3.409 0 40 DGAB CN(C)c1cccc(C(=O)NCCSCc2ccccc2)c1 18150067 QJTKSEDAILMERC-UHFFFAOYSA-N 314.454 3.416 0 40 DGAB Cc1nc2ccc(Cl)cc2cc1C(=O)Nc1nncs1 21215726 QRCZVUPHIJMHFL-UHFFFAOYSA-N 304.762 3.300 0 40 DGAB COc1ccc([C@@H]2CCCN2S(=O)(=O)c2cccs2)cc1 16091116 ORQXRZMFKIEOQJ-AWEZNQCLSA-N 323.439 3.283 0 40 DGAB CCN(C(=O)CCn1c(=O)oc2ccccc21)c1ccccc1 245808 UYMYJUMBHOHANI-UHFFFAOYSA-N 310.353 3.038 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3F)ccc21 10825159 UNSRVHLOCDZKNR-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB Brc1cccc(OCCSc2nncs2)c1 42199814 QAIPKTFFVYADNG-UHFFFAOYSA-N 317.233 3.472 0 40 DGAB Cc1nnc(CNC(=O)c2cc3c(s2)CCCCCC3)o1 53965609 GZRRIQOWTVSYBT-UHFFFAOYSA-N 305.403 3.029 0 40 DGAB COc1ccc2c(=O)cc(-c3ccc(OC)c(OC)c3)oc2c1 57905 VSFZYCDPDWSYSS-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic,in-vitro O=S(=O)(c1ccccc1)N(Cc1ccco1)c1ccccn1 730572 WPYFHHDFEUAYPF-UHFFFAOYSA-N 314.366 3.070 0 40 DGAB c1ccc(-c2cc(N3CCN(c4ccccc4)CC3)ncn2)cc1 1286866 QWLFVBRKXZVHSM-UHFFFAOYSA-N 316.408 3.470 0 40 DGAB Cc1ccc(OCc2nnc(NC(=O)CC(C)C)s2)cc1 1287654 OVQCEPRIFDPWHI-UHFFFAOYSA-N 305.403 3.410 0 40 DGAB C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)C(=O)CC[C@@]12O 1303589 XEYANIGWTWXVBC-VKSUQKOCSA-N 302.414 3.202 0 40 DGAB O=C(CSc1nnnn1C1CCCCC1)c1ccccc1 1340453 CPMUBBBIJZBHMF-UHFFFAOYSA-N 302.403 3.153 0 40 DGAB Cc1nc(C(=O)NC(C)C)nn1-c1cc(Cl)ccc1Cl 1385690 LPILWIRNBLEVDX-UHFFFAOYSA-N 313.188 3.021 0 40 DGAB CCN(CC)CC(CN(CC)CC)OC(=O)Nc1ccccc1 1667343 GTJDSQPCRHWJGK-UHFFFAOYSA-N 321.465 3.287 0 40 DGAB COc1ccc(CCNC(=O)c2sccc2C)cc1OC 2561736 SPXQQFNMHIAIBR-UHFFFAOYSA-N 305.399 3.046 0 40 DGAB COc1cccc(NC(=S)Nc2ccc(NC(C)=O)cc2)c1 2698120 XPYNICMNEJYEFR-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB CCOC(=O)c1cnn2c(C(F)F)cc(-c3ccco3)nc12 2743628 JRGYDTDJIZBOON-UHFFFAOYSA-N 307.256 3.104 0 40 DGAB CC(C)N(Cc1ccccc1)C(=O)Cn1c(=O)oc2ccccc21 3662051 GMKTVKKTZLFCQX-UHFFFAOYSA-N 324.380 3.032 0 40 DGAB CC1(C)Cc2ccccc2C([C@H](Cc2ccccc2)C(N)=O)=N1 4025764 TXRJSAMIVNOIIW-KRWDZBQOSA-N 306.409 3.155 0 40 DGAB biogenic CC1=CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCCC4)[C@H]3C=C12 4028543 DCJBMWWPSZAUKA-FXRXJOCMSA-N 301.430 3.317 0 40 DGAB biogenic CC[C@]1(c2ccccc2)NC(=O)N(Cc2ccccc2F)C1=O 4477271 BYGGXXVGSRTTFC-GOSISDBHSA-N 312.344 3.183 0 40 DGAB COc1ccccc1NC(=O)C1(c2cccs2)CCOCC1 4478978 LOIXAQGEKQGCLN-UHFFFAOYSA-N 317.410 3.444 0 40 DGAB O=C(CSc1ccc(F)cc1)Nc1nnc(-c2ccco2)o1 4496771 PPYDIXLAEGEKAX-UHFFFAOYSA-N 319.317 3.200 0 40 DGAB Cc1ccc2sc(N3CCN(C(=O)C(C)C)CC3)nc2c1C 5239997 NGIDYGSBTXKRKQ-UHFFFAOYSA-N 317.458 3.218 0 40 DGAB Cc1cc(OC[C@H](O)CN2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 6008667 ASCOOIJCINVEAP-VNHYZAJKSA-N 311.853 3.366 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2cccc(C(C)=O)c2)c1 6539989 ZCHGLZMDVBDRKX-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)Nc1cccc(C)c1C 7863327 ZWXMYTLGDRDUFJ-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)NCCc1ccccc1 8558147 XAYSMQAKWGCIBG-INIZCTEOSA-N 313.397 3.212 0 40 DGAB Cc1ccc(CCC(=O)NCCCN2CCCCCC2)cc1 10111274 LEOWRQDKMRDOIE-UHFFFAOYSA-N 302.462 3.310 0 40 DGAB O=C(NCC1(c2ccccc2)CCC1)c1n[nH]c2ccccc12 10373112 JDKDWFWKUFNWKA-UHFFFAOYSA-N 305.381 3.415 0 40 DGAB COc1ccccc1NC(=O)NCc1cnn(-c2ccccc2)c1 10464387 WEGMEGDCMZICPX-UHFFFAOYSA-N 322.368 3.203 0 40 DGAB COc1ccc(CCNC(=S)Nc2ccc(C)cc2O)cc1 10750800 JYQHPGXWIQKOAH-UHFFFAOYSA-N 316.426 3.238 0 40 DGAB Cc1cc(C(=O)CSc2nc(C(C)(C)C)n[nH]2)c(C)n1C 12256766 VSRPGNCCQVGJHV-UHFFFAOYSA-N 306.435 3.033 0 40 DGAB COc1ccccc1[C@@H](Cc1nnc(S)o1)c1ccco1 12321305 LTHSHQAOVNJTTD-LLVKDONJSA-N 302.355 3.335 0 40 DGAB Cc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)c1 12522265 RLSHSFFRXWTKLH-SNVBAGLBSA-N 313.382 3.075 0 40 DGAB COc1ccc(C)cc1NC(=O)CCc1ccc2c(c1)OCO2 12692796 UTWFSMDUZIJOLY-UHFFFAOYSA-N 313.353 3.304 0 40 DGAB Cc1ccc(O)c(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 12742766 ZJKZPHFIZUJWDN-UHFFFAOYSA-N 324.380 3.388 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(F)cc2)c1 12971255 UKVMXTQGPRIHAB-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB CC[C@H](C)c1ccccc1NC(=O)CN1C[C@H](C)O[C@H](C)C1 13137757 TXEAUWMNZALGOM-SOUVJXGZSA-N 304.434 3.248 0 40 DGAB COc1ccc(CC(=O)N2c3ccccc3C[C@H]2C)cc1OC 13671131 JWKMDQVARRVXTH-CYBMUJFWSA-N 311.381 3.224 0 40 DGAB COc1cc(Cl)c(NC(=O)c2c(C)noc2C)cc1OC 14092653 BDRCTLYIFSTKNT-UHFFFAOYSA-N 310.737 3.214 0 40 DGAB CCc1nc(N)nc2c1C(=O)C[C@@H](c1ccc(Cl)cc1)C2 15424366 IXBSKVZETFMJBA-JTQLQIEISA-N 301.777 3.187 0 40 DGAB NC(=O)c1ccc(COC(=O)c2ccc(Cl)c(Cl)c2)cc1 16118795 CKDHAZDTIRIDAJ-UHFFFAOYSA-N 324.163 3.449 0 40 DGAB Cc1ccc(-c2noc(CCCC(=O)NCC(C)C)n2)cc1 21168517 QNCNDGQRBJDSNY-UHFFFAOYSA-N 301.390 3.140 0 40 DGAB CC(=O)NC(=S)Nc1ccc(-c2nc3ccccc3o2)cc1 21596470 VHBKNZBBRKSTKV-UHFFFAOYSA-N 311.366 3.328 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1noc(-c2ccccc2)n1 21800334 KPKNEQYNOORLSQ-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1cc2ccccc2n1CC(=O)Nc1nnc(C2CC2)s1 29474058 JLVRVGBACFOKSB-UHFFFAOYSA-N 312.398 3.317 0 40 DGAB O=C(NCC1CCC1)c1ccc(Cn2nnc3ccccc32)cc1 31439895 AONFHSJTJBSDLW-UHFFFAOYSA-N 320.396 3.010 0 40 DGAB Cc1nnc(SCc2ccccc2Cl)c(C(N)=O)c1C 32831839 WAHZKCWLPWXLSI-UHFFFAOYSA-N 307.806 3.138 0 40 DGAB O=C(c1csc(-c2ccco2)n1)N1CCOc2ccccc21 33168130 OYDUEZPNBDXVQQ-UHFFFAOYSA-N 312.350 3.442 0 40 DGAB O=C(CN1CCN(c2ccc(Cl)cc2)CC1)c1ccccc1 36379995 MOQFBZUWTRBALG-UHFFFAOYSA-N 314.816 3.345 0 40 DGAB Cc1cccc(N2C(=O)C[C@H](Nc3ccc(C)c(C)c3)C2=O)c1 36635359 RDOWLOAPIRIDDP-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(CNc2ncccn2)cc1 40091228 DRZYAHVYGJYADM-CQSZACIVSA-N 310.401 3.103 0 40 DGAB Cc1cc(C)c2nc(NC(=O)COCC(F)(F)F)sc2c1 40108657 QAFDSOMAZDIPCY-UHFFFAOYSA-N 318.320 3.431 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C(=O)Nc2nncs2)C2CC2)o1 43129341 UHROZYOUPSMGSQ-JOYOIKCWSA-N 318.402 3.451 0 40 DGAB CC(C)c1noc([C@H](C)N2CCN(Cc3cccs3)CC2)n1 44585670 SWYBTRJZQVPLKO-ZDUSSCGKSA-N 320.462 3.133 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc(-n3ccnc3)nc2)[C@@H]2CCCC[C@H]12 57083247 XBIKMLWINATLGG-DJIMGWMZSA-N 324.428 3.308 0 40 DGAB Cc1cccc(NC(=O)c2ccc(CN3CCCCC3=O)cc2)n1 58244995 UYMOHQNSXINXAZ-UHFFFAOYSA-N 323.396 3.155 0 40 DGAB COc1cc(Cl)cc2c1OCC(=O)N(c1ccccc1)C2 65184524 LNLYHBGCHXBAKP-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2cc(C3CC3)on2)c(OC)c1 65410581 DHTDNZMTQUKYJP-SNVBAGLBSA-N 316.357 3.060 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1c1ncnc2sccc12 65531381 POXLPWJORHLQRN-AWEZNQCLSA-N 324.409 3.299 0 40 DGAB O=C(CC(F)(F)F)NCCCOc1cccc2cccnc12 68390129 WHGIXXKLSRVYIH-UHFFFAOYSA-N 312.291 3.072 0 40 DGAB O=C(c1cccc(-n2cccc2)c1)N1CCC[C@@H](n2ccnc2)C1 69659460 BKKHFOKKNSQJTG-GOSISDBHSA-N 320.396 3.151 0 40 DGAB Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@@H]1CCC(=O)N1 69921456 FIJRDGHGKKXOLO-ZDUSSCGKSA-N 306.431 3.103 0 40 DGAB O=C(NC[C@@](O)(c1ccccc1)C1CC1)c1cccc(Cl)c1 70966169 MYXVVLWUIUQEAL-GOSISDBHSA-N 315.800 3.368 0 40 DGAB Cc1ccccc1C[S@@](=O)[C@@H](C)C(=O)N(C)c1ccccc1 71858854 JRFANQGBFOJFAA-NYHFZMIOSA-N 315.438 3.295 0 40 DGAB CC(C)Oc1ccccc1CC(=O)N1CCCO[C@@H]2CCC[C@H]21 71909676 YSXOSGWRXOZNLZ-SJLPKXTDSA-N 317.429 3.186 0 40 DGAB Cc1cc(C(=O)c2ccccc2)cnc1I 72225954 ZFBOZGDFLLGZJS-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1ccc(-c2cc(C3CCN(C(C)=O)CC3)ccn2)cc1 72360760 GLIJLDSLPIEMSF-UHFFFAOYSA-N 310.397 3.483 0 40 DGAB CCSCC[C@@H](C)N(C)C(=O)c1cc2ccccc2c(=O)[nH]1 75381872 GDQIJNVFLQPEJE-GFCCVEGCSA-N 318.442 3.132 0 40 DGAB O=C(N[C@@H]1CCN(c2ccccc2)C1)N1CCc2ccccc21 78545945 SUHKVMATVKKTSY-MRXNPFEDSA-N 307.397 3.038 0 40 DGAB Cc1sc2nc(CSc3ccncc3)[nH]c(=O)c2c1C 79058142 UHRAGFHKVGIJLM-UHFFFAOYSA-N 303.412 3.289 0 40 DGAB CC(C)(CC(=O)Nc1cccc(Oc2ccncc2)c1)C(=O)O 84325854 HLZVOKZWVMEQGY-UHFFFAOYSA-N 314.341 3.313 0 40 DGAB Cc1ccc(C(=O)NCCc2ccccc2)c(Br)n1 89626729 DEOAVBRZVMAGEF-UHFFFAOYSA-N 319.202 3.125 0 40 DGAB c1ccc(-c2nnc(OCc3nc(C4CCCC4)no3)o2)cc1 89853113 DSTVVCVXLRMHTD-UHFFFAOYSA-N 312.329 3.356 0 40 DGAB FC(F)(F)COc1cccc(CN2CCOC[C@H]2C2CC2)c1 90009129 FVLVOFSLJRTGCX-HNNXBMFYSA-N 315.335 3.239 0 40 DGAB Cn1ccnc1SCC1CCN(C(=O)c2ccsc2)CC1 90608211 XSKQOIUKRCNFBA-UHFFFAOYSA-N 321.471 3.126 0 40 DGAB C[C@@H]1OCC[C@@H]1C(=O)OCc1cnc(-c2ccccc2)s1 92372067 MKBSCWRRWGLAHU-FZMZJTMJSA-N 303.383 3.278 0 40 DGAB CC[C@H](NCc1cnn(C)c1)c1ccccc1Br 95416714 WJQDBSGAHFLCEV-AWEZNQCLSA-N 308.223 3.424 0 40 DGAB CN(C)CCNC(=O)Nc1ccc(N2CCCCC2)c(Cl)c1 95460913 HAIKJLHJMCYAIP-UHFFFAOYSA-N 324.856 3.013 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CN(Cc2ccccc2)CC12CC2 95698970 UCBLMUMETZZNIZ-HNNXBMFYSA-N 302.418 3.176 0 40 DGAB Clc1ncnc2c1ncn2-c1cccc(Br)c1 95915568 FEVKROXXTAIPNY-UHFFFAOYSA-N 309.554 3.231 0 40 DGAB Cc1cccc(C)c1CNC(=O)N[C@H]1CCO[C@@H](C2CC2)C1 95943341 NCWPZVRVFXORTR-DOTOQJQBSA-N 302.418 3.060 0 40 DGAB CC(C)(C)c1cnc(COC(=O)COc2ccccc2F)o1 95959282 BYAMIDQBVIBFEG-UHFFFAOYSA-N 307.321 3.233 0 40 DGAB CC(C)C[C@H]1CCCCCN1C(=O)C1CCC(C(N)=O)CC1 95960955 RXWLJINIXYMHJN-UYSNPLJNSA-N 308.466 3.095 0 40 DGAB Cc1ccc(C)c([C@@H](O)COc2cccc(-c3nnco3)c2)c1 95974917 QYQLEVUOUSQIIT-KRWDZBQOSA-N 310.353 3.466 0 40 DGAB CNC(=O)C[C@@H]1CC2(CCN(CC3CC3)CC2)c2ccccc21 96052593 PSSWSVLDTXXQMH-MRXNPFEDSA-N 312.457 3.054 0 40 DGAB CO[C@H]1CCN(C(=O)c2ccc(C)o2)C[C@@H]1Cc1ccccc1 96110488 SAKPHXNVBNKHGB-IRXDYDNUSA-N 313.397 3.308 0 40 DGAB CC(C)(C)c1c[nH]c([C@@H]2COCCN2Cc2ccccc2F)n1 96296218 DTHLEAHFXCLWKQ-HNNXBMFYSA-N 317.408 3.420 0 40 DGAB biogenic,in-vitro COC(=O)c1cc(NC(=O)N2C[C@H]3CC=CC[C@H]3C2)ccc1F 96434167 WEODUYNLGIMIAN-TXEJJXNPSA-N 318.348 3.042 0 40 DGAB CCc1cnc(CNC(=O)NCc2coc3ccccc23)s1 96440326 BNVYNLDUDCVZBW-UHFFFAOYSA-N 315.398 3.451 0 40 DGAB COc1ccc(NC(=O)N[C@@H](C)Cc2cc(C)[nH]n2)c(Cl)c1 97099167 XYGUHGXGRJRFEN-VIFPVBQESA-N 322.796 3.133 0 40 DGAB COc1ccccc1[C@H]1Nc2nonc2N=C2CCCC(O)=C21 102742571 DSHYLBQCWPUPPG-CQSZACIVSA-N 312.329 3.314 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)N(C)[C@H](C)c2cccnc2)C12CCC2 107356345 NHQZZYBTUWXGTD-FVQBIDKESA-N 317.433 3.132 0 40 DGAB N#Cc1c(N)nc2ccc(C(F)(F)F)cc2c1Br 140187042 WWTNWCFJFMFWSW-UHFFFAOYSA-N 316.080 3.470 0 40 DGAB CC(=O)c1sccc1OCc1nnc(C2CC2)n1C1CC1 193515981 VEJBEWXXXWXNHS-UHFFFAOYSA-N 303.387 3.334 0 40 DGAB COc1ccc(C[C@H](Oc2ccc(C)c(C)c2)C(=O)O)cc1 225102709 YVMHJPWUDDYCHQ-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB C1CCC(O[C@@H]2CCCC[C@@H]2N2CCN[C@@H]3CCCC[C@@H]32)C1 225714712 ARUFQWJKFOKKNK-YDZRNGNQSA-N 306.494 3.473 0 40 DGAB CC(C)Oc1ccc(-n2nc3cc(N)c(Cl)cc3n2)cc1 226265065 KWYAPRICWINTDC-UHFFFAOYSA-N 302.765 3.443 0 40 DGAB COC(=O)c1ccccc1NC(=O)/C=C(\C)NCc1ccccc1 227163480 IVLBFHRBTZBSBX-WYMLVPIESA-N 324.380 3.105 0 40 DGAB CCCNC(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1cccc(Cl)c1 257205637 AZYXXNBYRZZLMA-ZBFHGGJFSA-N 322.836 3.166 0 40 DGAB O=C(O)C1(c2ccccc2)CCN(Cc2ccc(F)cc2)CC1 320806169 KWAYFUUHWVPUDC-UHFFFAOYSA-N 313.372 3.444 0 40 DGAB COc1ccc(C)cc1N[C]1NC(=O)/C(=C/c2ccco2)S1 408804996 IHPXZCNYJXOONE-UHFFFAOYSA-N 315.374 3.360 0 40 DGAB CC1CCC(O)(CN2CC(Cc3ccc(F)c(F)c3)C2)CC1 548355486 DDBOLSRJKMFRCB-UHFFFAOYSA-N 309.400 3.380 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc3nccnc3n2)CC12CCCCC2 571136403 QQYTVYJWAWEWBT-CQSZACIVSA-N 324.428 3.457 0 40 DGAB CCO[C@@H]1CN(C(=O)c2cc3ccccc3[nH]2)Cc2cccn2C1 575402609 CRJKHKHWAGQCDD-INIZCTEOSA-N 323.396 3.031 0 40 DGAB Cc1cnc(OC[C@H]2CCCN(c3ccc(Cl)cn3)C2)nc1 1776000718 HERIHPUPIQHJAP-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB COc1cccc(CCNc2nccn3nc(C4CC4)cc23)c1 1889197016 WHKNMGWIQAWKQF-UHFFFAOYSA-N 308.385 3.270 0 40 DGAB CC(C)CCN1[C@H]2CC[C@@H]1CCNc1ccccc1CNC2 2037916285 SDSZHBBQHDYCKE-MSOLQXFVSA-N 301.478 3.471 0 40 DGAB Cc1ccc2c(c1)[C@@H]1CN(C)CC[C@@H]1N2C(=O)c1ccccc1 52258 OVDAQVIEYIDYQE-HKUYNNGSSA-N 306.409 3.443 0 40 DGAB biogenic Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1F 114132 UQCPRIMQMWLGEU-UHFFFAOYSA-N 316.357 3.483 0 40 DGAB COc1cccc(C(=O)NCc2ccc(-n3cccc3)cc2)c1 1426640 SSDHPVIIIHFQKK-UHFFFAOYSA-N 306.365 3.416 0 40 DGAB CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc(Cl)cc1 1691074 LQRLGXYYXHXZES-MRXNPFEDSA-N 316.788 3.026 0 40 DGAB Cc1cccc(NC(=O)CCC(=O)NCc2ccccc2)c1C 3148491 QCHYFSDZROGSHS-UHFFFAOYSA-N 310.397 3.339 0 40 DGAB COC(=O)CCCC(=O)Nc1ccc(OC(F)F)c(Cl)c1 3236347 JSJDSNRISVQDSN-UHFFFAOYSA-N 321.707 3.223 0 40 DGAB CCN(C(=O)COc1ncnc2ccccc12)c1ccccc1 3250918 YTYSJFOFJOWUOY-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB Cc1ccc(CNC(=O)c2cncc(Br)c2)cc1 3335448 MYDYNCZWXKCSCF-UHFFFAOYSA-N 305.175 3.083 0 40 DGAB CN(CC(=O)Nc1c(F)cccc1F)Cc1ccc(F)cc1 3335526 FLJJTQARWCENOC-UHFFFAOYSA-N 308.303 3.174 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)CSc1ccccc1 3499569 PRRSJGPPHSXMNG-UKRRQHHQSA-N 321.442 3.017 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1ccc(F)cc1F 3536939 XCLSECDDEXFFEJ-NSHDSACASA-N 302.324 3.355 0 40 DGAB O=C(NCCCc1ccccc1)C(=O)c1c[nH]c2ccccc12 4163174 GOYJKJWZABKDJP-UHFFFAOYSA-N 306.365 3.100 0 40 DGAB CNC(=O)CSc1nnc(-c2ccccc2)c2ccccc12 5242772 MRVTVYVBSCJUJT-UHFFFAOYSA-N 309.394 3.135 0 40 DGAB Cc1cccc(OCCOC(=O)c2ccc3nccnc3c2)c1 5419852 PWYXVMYOLWWOCH-UHFFFAOYSA-N 308.337 3.174 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1cccnc1Cl 6064692 ICFLYGPTJLAVHY-UHFFFAOYSA-N 318.760 3.093 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCCOc2ccccc2C)cc1 6347549 IRPWWEHWJIZPNQ-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)N(C)Cc2ccco2)c1C 7523705 WTGJPDPZSJEVKI-GFCCVEGCSA-N 302.374 3.130 0 40 DGAB O=C(NCCCn1cnc2ccccc21)c1ccc(F)cc1F 8136170 XHNHTBFATFTBKI-UHFFFAOYSA-N 315.323 3.135 0 40 DGAB c1c[nH]c(-c2nnc(SCc3ccc4c(c3)OCO4)o2)c1 8344749 VJFSKWGNSLQHBY-UHFFFAOYSA-N 301.327 3.086 0 40 DGAB C[C@@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)c1ccccc1 8534832 WSTPAEKJIMVHRV-GFCCVEGCSA-N 322.316 3.221 0 40 DGAB O=C(Cc1csc(-c2cccs2)n1)NCc1ccco1 9114299 VSGCEQNXHFKNRF-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB CCCn1c(NC(=O)c2snnc2CC)nc2ccccc21 9467141 NZGSXUVWODQEQW-UHFFFAOYSA-N 315.402 3.113 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2ccc(F)c(C)c2)cc1 11008932 KSKZZJNTMYNMAI-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB CCOc1ccc([C@H](C)NC(=O)c2cccnc2OCC)cc1 11169575 QBORMNWEZCIEEN-ZDUSSCGKSA-N 314.385 3.370 0 40 DGAB C[C@H](OC(=O)c1ccc(O)cc1O)C(=O)c1ccc(Cl)cc1 11565718 WVPXQMAFJFWOGI-VIFPVBQESA-N 320.728 3.179 0 40 DGAB Cc1cccc(OCCN(C)CC(=O)N[C@H]2CCCC[C@@H]2C)c1 12783569 WVGQWRZRUVLQHJ-WMZOPIPTSA-N 318.461 3.001 0 40 DGAB Cc1cc(C)cc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 12906306 LWNGUCLPIRGTJS-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB COc1cc(OC)c(-c2csc(N)n2)cc1Br 13223913 SZIZGAJPZFWHBQ-UHFFFAOYSA-N 315.192 3.172 0 40 DGAB O=C(Cn1cnc2ccccc21)Nc1ccc(F)c(F)c1F 13225995 HHCKROSHCPEIJV-UHFFFAOYSA-N 305.259 3.092 0 40 DGAB Cc1cc(C)cc(NS(=O)(=O)c2ccc(C)c(C(=O)O)c2)c1 13348981 MITCVCWNQZZWHI-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cn1ccc([C@H]2CCCCCN2C(=O)c2cc(C3CC3)on2)n1 19291030 DJGPLKCLVDQYRR-OAHLLOKOSA-N 314.389 3.043 0 40 DGAB COc1ccc(CN2CCCCC[C@H]2c2ccn(C)n2)cc1O 19291068 DSKOUAAKAHRFDP-INIZCTEOSA-N 315.417 3.252 0 40 DGAB CC(=O)c1cccc(NC(=O)c2ncn(-c3ccc(C)cc3)n2)c1 19910668 MZAODSUSMQLFPM-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N[C@@H](C)CCc1ccccc1 22008288 KUFPNNADHHGFHX-NSHDSACASA-N 305.809 3.133 0 40 DGAB Clc1snnc1CSc1nnc(Cc2ccccc2)o1 22035091 DNSHWKSQNGYEET-UHFFFAOYSA-N 324.818 3.458 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2F)o1 22246179 VLNNTHJNUDHDEB-DGCLKSJQSA-N 323.389 3.363 0 40 DGAB Cc1cccc(CS(=O)(=O)N[C@@H]2CCCc3ccccc32)c1 22526925 MQLDFUAWLKFKEQ-GOSISDBHSA-N 315.438 3.492 0 40 DGAB CCOC(=O)N1CCC(NC(=O)c2ccc(C(C)C)cc2)CC1 24064310 ZVTLBUSKAHZPHT-UHFFFAOYSA-N 318.417 3.161 0 40 DGAB Cc1nc2ccccc2n1CCNC(=O)CCc1cccs1 24477618 ROGZMVUUBFUVQN-UHFFFAOYSA-N 313.426 3.155 0 40 DGAB Cc1cc(CN(C)C(=O)COc2ccc3ccccc3c2)no1 25139419 ZJNWWBHAHQNSAQ-UHFFFAOYSA-N 310.353 3.174 0 40 DGAB O=C(Nc1ccc(N2CCCC2)cn1)c1cc(F)cc(F)c1 25660102 VJTMOEJNDKTGPX-UHFFFAOYSA-N 303.312 3.212 0 40 DGAB COC[C@H](C)NC(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 27468473 LMRCAALUYIJWOY-ZDUSSCGKSA-N 323.396 3.099 0 40 DGAB Cc1nc(CCNC(=O)[C@H](C)Oc2ccc(C)c(C)c2)cs1 27988665 DGTGOGMDPJDILU-ZDUSSCGKSA-N 318.442 3.195 0 40 DGAB Cc1cc(C(=O)Nc2ccc(-n3cc(Cl)cn3)cc2)on1 28573995 ALDPTTNEPICMSB-UHFFFAOYSA-N 302.721 3.074 0 40 DGAB C[C@H]1CCc2ccccc2N1C(=O)CN1CCc2ccccc2C1 28901311 MZWVSIAVHFZKNN-INIZCTEOSA-N 320.436 3.413 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC[C@@H]1Cc1ccccc1 30764290 OFZJNZAUUSQKBG-OAHLLOKOSA-N 305.381 3.410 0 40 DGAB C[C@@H](NC(=O)OCc1ccccc1)C(=O)NC1CCCCCC1 32731230 KBXSDJBDHYQPCC-CQSZACIVSA-N 318.417 3.140 0 40 DGAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1ccc2c(c1)OCO2 32817729 NDHXHWOIXPNIQY-UHFFFAOYSA-N 320.348 3.387 0 40 DGAB COc1cccc(-n2cnc3c2N=C(O)C[C@@H]3c2cccnc2)c1 36365929 TULBGTVNGPMIQC-OAHLLOKOSA-N 320.352 3.400 0 40 DGAB Clc1cc(Br)ccc1OC[C@@H]1CCCNC1 39953917 SOTCZGOZEGZYOA-SECBINFHSA-N 304.615 3.481 0 40 DGAB O=C(Cn1ccc(=O)c2cc(Cl)ccc21)Nc1ccccc1 39963258 KZJDJSHNTZXHCB-UHFFFAOYSA-N 312.756 3.294 0 40 DGAB O=C(NCCc1ccsc1)Nc1ccc(N2CCCC2)nc1 40120859 QLPBCPYNTXLXTO-UHFFFAOYSA-N 316.430 3.108 0 40 DGAB O=C(C1CCCCC1)N1CCC[C@H]1c1nnc2n1CCCCC2 40817088 NCADOOKTQMPJKJ-HNNXBMFYSA-N 316.449 3.248 0 40 DGAB C[C@@H]1C[C@@H](C)CN(Cc2csc(NC(=O)C3CCC3)n2)C1 45754790 WOEWNKYMRKNPCF-VXGBXAGGSA-N 307.463 3.360 0 40 DGAB CS[C@H](C)C(=O)N[C@H](C)Cc1ccc(Br)cc1 48239743 SKHSVAURMLCMNZ-NXEZZACHSA-N 316.264 3.248 0 40 DGAB CC(C)CCNC(=O)C1CCN(Cc2cccc(F)c2)CC1 52043258 WCABUHWNDGOMAN-UHFFFAOYSA-N 306.425 3.200 0 40 DGAB Cc1ccc([C@H](C)N(C)Cc2cc(=O)n3ccccc3n2)cc1 52907557 BJXQJBLRNAPMER-HNNXBMFYSA-N 307.397 3.196 0 40 DGAB CC(=O)N(c1ccc(C)cc1)c1nc(Cn2ccnc2)cs1 58218047 MASPZZMEXUIEEC-UHFFFAOYSA-N 312.398 3.381 0 40 DGAB c1ccc(Cn2cc(-c3noc(-c4ccccc4)n3)nn2)cc1 65236233 NUKMASUHKOTEJL-UHFFFAOYSA-N 303.325 3.043 0 40 DGAB O=C(NC[C@H](O)c1ccccc1)Nc1ccc(F)cc1Cl 69515534 SXXPCLYXOINBQF-AWEZNQCLSA-N 308.740 3.334 0 40 DGAB CCc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)sc1C 69625125 GRFUSVBSSBXYDI-AWEZNQCLSA-N 303.431 3.330 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNCCN(C(C)C)C(C)C 69645825 GROPVIMGLVRBOA-UHFFFAOYSA-N 314.905 3.405 0 40 DGAB Cc1c([C@H](C)NC(=O)N2CCC[C@@H](O)C2)oc2ccc(F)cc12 69897347 QACKCXCVSSCJNV-WCQYABFASA-N 320.364 3.108 0 40 DGAB Cn1cc([C@H]2CCCN2Cc2coc(-c3ccccc3)n2)cn1 70038754 MQQPQTKHCNIUJA-QGZVFWFLSA-N 308.385 3.412 0 40 DGAB CCO[C@H]1CCCN(C(=O)CCc2cc(Cl)cs2)C1 70041047 XUXOVUXAHUVVTI-LBPRGKRZSA-N 301.839 3.362 0 40 DGAB COc1ccc(CNC(C)(C)c2ccc3c(c2)OCO3)cc1O 71792572 ZYZYZZWLDOWUFX-UHFFFAOYSA-N 315.369 3.154 0 40 DGAB C[C@@H](NC(=O)N(Cc1ccc(F)cc1F)C1CC1)[C@H]1CCCO1 71799645 MZZHPMWJAQMOJV-BDJLRTHQSA-N 324.371 3.206 0 40 DGAB CC(C)c1nc2n(n1)C[C@H](NCc1cc3ccccc3o1)CC2 71877297 WAAKBGJEGSDKHS-CQSZACIVSA-N 310.401 3.252 0 40 DGAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)N2CCCC2)c1 71909532 DSXSHVAASWPEAK-OAQYLSRUSA-N 308.447 3.362 0 40 DGAB Cc1ccnc(NS(=O)(=O)c2cccc(COC(C)C)c2)c1 72265386 XRSYVGYAHPYALP-UHFFFAOYSA-N 320.414 3.116 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)c2cc(C3CC3)[nH]n2)n1 72273795 GSVSBWSAVIXYDT-AWEZNQCLSA-N 316.430 3.419 0 40 DGAB O=C(c1cc2c(s1)CCCC2)N1CCC[C@H](c2ccn[nH]2)C1 72282759 RZPLVDIEFMGJCH-ZDUSSCGKSA-N 315.442 3.370 0 40 DGAB CC(=O)N1CCC[C@H](c2csc(Nc3ccc(C)cn3)n2)C1 72368114 HUKSUOFHSXHEKJ-ZDUSSCGKSA-N 316.430 3.316 0 40 DGAB COCC(=O)N(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 73783404 QKIMAQYLVJBLRV-AWEZNQCLSA-N 323.396 3.191 0 40 DGAB COCCn1cnnc1SCc1cc(C)nc2ccccc12 73968836 JUZOPRUWKGGDPM-UHFFFAOYSA-N 314.414 3.073 0 40 DGAB C[C@@H](O)CN(Cc1ccccc1)C(=O)Nc1ccc(F)c(F)c1 75145985 GYOIKJGSADEIHO-GFCCVEGCSA-N 320.339 3.380 0 40 DGAB CCO[C@H](C)C(=O)N(Cc1ccc(OC)cc1)c1ccncc1 76019121 OYTAANQFQCHROS-CQSZACIVSA-N 314.385 3.048 0 40 DGAB CSC[C@@H](C)NC(=O)NCCc1cccc2ccccc12 77344592 SHKMXQOHKBUWGS-CYBMUJFWSA-N 302.443 3.433 0 40 DGAB C[C@@H](O)CC(C)(C)CNC(=O)NCc1coc2ccccc12 78941914 HKXUSTCDSPHTQW-GFCCVEGCSA-N 304.390 3.029 0 40 DGAB COc1ccc(C(=O)[C@H]2CCCN2C(=O)OC(C)(C)C)cc1 79112729 PIHOJFAMQDWYCG-CQSZACIVSA-N 305.374 3.277 0 40 DGAB Nc1ncccc1-c1nc(-c2ccc(C(F)(F)F)cc2)no1 89263316 YINZONYQSDEREM-UHFFFAOYSA-N 306.247 3.400 0 40 DGAB Cc1cc(NC(=O)CSc2ccccc2O)n(C(C)(C)C)n1 89591610 QETJMHKOBYEHDJ-UHFFFAOYSA-N 319.430 3.383 0 40 DGAB Cc1ccc(CCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCSC2)o1 89652885 DLIZTGCCKMAYRS-GDBMZVCRSA-N 323.458 3.034 0 40 DGAB CCCCc1cc(NC(=O)c2[nH]nc(C3CC3)c2Cl)[nH]n1 89954845 BBWDDFNRRSKLLK-UHFFFAOYSA-N 307.785 3.259 0 40 DGAB CCc1[nH]nc(NC(=O)Nc2cc(C(=O)OC)ccc2C)c1C 95395132 QPGVIHUTPSEYKJ-UHFFFAOYSA-N 316.361 3.020 0 40 DGAB CO[C@@H]1CCCCC[C@H]1NCc1ccc(N2CCCC2)nc1 95412284 SLCPSCONXUPUPB-IAGOWNOFSA-N 303.450 3.119 0 40 DGAB C[C@@H](CSC(C)(C)C)NC1CCN(C(=O)c2ccco2)CC1 95419934 XFWKWHBZMXEEOX-ZDUSSCGKSA-N 324.490 3.394 0 40 DGAB C[C@@H](Cc1ccc(F)cc1)NC[C@H]1CCN(CC(F)(F)F)C1 95420500 WNNDRCJAHWBGGP-GXTWGEPZSA-N 318.358 3.231 0 40 DGAB CC(C)CSC[C@H](C)N[C@H](CO)Cc1c[nH]c2ccccc12 95968084 XPVHXHBCNCXZJV-HOCLYGCPSA-N 320.502 3.439 0 40 DGAB O=C(NC[C@@H](Cc1ccc2ccccc2c1)C(=O)O)c1ccoc1 95970703 NOXISGMEDBSNHV-QGZVFWFLSA-N 323.348 3.106 0 40 DGAB CC(C)CN1CCOC[C@H](Oc2ccc(C(F)(F)F)cc2)C1 96113166 IJWDAPPAWFBXSO-OAHLLOKOSA-N 317.351 3.441 0 40 DGAB biogenic,in-vitro Cc1cccc(OC2CCN(C(=O)[C@@H]3CC=CCC3)CC2)n1 96119546 OUDPTSNNZBABHV-OAHLLOKOSA-N 300.402 3.116 0 40 DGAB Cc1n[nH]c(O)c1[C@@H](c1c(O)n[nH]c1C)[C@@H](C)c1ccccc1 96193459 PMCXESAVYTUFLG-VIFPVBQESA-N 312.373 3.096 0 40 DGAB Cc1cc(C)cc(CN2CCC3(CC2)CN(CC(C)C)C3=O)c1 96202818 APDPBRFKYPFCDX-UHFFFAOYSA-N 314.473 3.384 0 40 DGAB O=C(CC1CC1)N1CCC2(CC1)C[C@@H](Oc1ccccc1)CO2 96221889 DMDCSNRYJURXLU-QGZVFWFLSA-N 315.413 3.016 0 40 DGAB Cc1cc(S(C)(=O)=O)ccc1NC(=O)CC1=CCCCC1 96406133 LGVPNLWYMHHISX-UHFFFAOYSA-N 307.415 3.228 0 40 DGAB Fc1ccccc1CN1CCC(OC[C@H]2CCCCO2)CC1 96455939 IHDICCHDPIYIBM-QGZVFWFLSA-N 307.409 3.376 0 40 DGAB Cn1ccc(CN2C[C@H](CCN3CCCC3=O)c3ccccc32)c1 97236475 LZKMAIAZHOWXBR-KRWDZBQOSA-N 323.440 3.141 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@@H]2C(=O)N1c1cccc2ccccc12 100178254 VIUCACLIKCQYBA-UEFGCPDKSA-N 315.372 3.397 0 40 DGAB Cc1ccc(C[C@@H]2CC(=O)N(c3cc(Cl)ccn3)C2=O)cc1 100971323 CVZWNNVBAWFGGL-CYBMUJFWSA-N 314.772 3.166 0 40 DGAB C1=C(c2ccc3c(c2)OCO3)Nc2ncnn2[C@@H]1c1cccs1 101189521 YABFZHRDZGJSMA-LBPRGKRZSA-N 324.365 3.124 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N1[C@@H]2CC[C@@H]1COC2 101328512 KYCLIMMPQIKQJS-NXEZZACHSA-N 301.173 3.389 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3C=C[C@H]2C3)cc1Cl 102232176 PQSQLOYLDOQRNY-NUZBWSBOSA-N 305.761 3.110 0 40 DGAB Cc1noc(C)c1CN1CC[C@@H]2OCCC[C@@]2(COC(C)C)C1 107712808 YIFJLDWXQHYNLK-ROUUACIJSA-N 322.449 3.088 0 40 DGAB COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(C)s1 109005906 ZINGKEJQYJJENF-AVGNSLFASA-N 307.415 3.003 0 40 DGAB O=C(NCCCc1nc(C2CCCCC2)no1)c1ccccc1 109526637 GGXVCTLZEWQVFG-UHFFFAOYSA-N 313.401 3.480 0 40 DGAB c1cc(CN2CCCC3(C2)OCCO3)cc(-c2ccncc2)c1 195563232 TVSBCIGJFORSHC-UHFFFAOYSA-N 310.397 3.088 0 40 DGAB O=C(NC[C@H]1CC[C@H](O)C1)Nc1cc(-c2ccco2)ccc1F 195578955 YKPWLYURLQNWNR-AAEUAGOBSA-N 318.348 3.368 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(C)[nH]1 222987924 ZFYUIWQCIUODIH-HZPDHXFCSA-N 314.458 3.491 0 40 DGAB CCOCCCNC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1 225258608 YWXIRHYHNWWFDW-UHFFFAOYSA-N 323.396 3.386 0 40 DGAB COc1ccc([C@@H]2CC(c3ccsc3)=NN2C(C)=O)cc1O 225536901 SQTXFVFERFCQPA-AWEZNQCLSA-N 316.382 3.160 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccccc3F)c2c1 225754711 FXDHJYPTBVQPCR-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB COc1cc2c(cc1CN1[C@H]3CC[C@H]1c1cccnc1C3)OCO2 247917684 BSEMQYPMCSTCQM-BBRMVZONSA-N 324.380 3.081 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCC[C@@H]1c1cnccn1 257319156 VQZOWSFOSSIYNG-GOSISDBHSA-N 320.396 3.254 0 40 DGAB Cc1ccc(Sc2ccc(/C=C3/NC(=O)N(C)C3=O)o2)cc1 409193265 IBGXPGHOYKZEPE-UKTHLTGXSA-N 314.366 3.262 0 40 DGAB Cc1occc1C(=O)N1[C@H]2CC[C@H]1[C@@H](N(C)Cc1ccccc1)C2 503774108 COBRGTYBRGOXIW-WDSOQIARSA-N 324.424 3.466 0 40 DGAB NC(=O)Cc1ccccc1OCCCOc1ccc(Cl)cc1 534632585 GGRCWJDCTXFFNK-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB Cc1ccccc1-c1ccc(CN2C(=O)CC[C@@H]2C(=O)O)cc1 577006303 QSRLIRHZNJIAMM-QGZVFWFLSA-N 309.365 3.238 0 40 DGAB COC(=O)CCc1c(C)nc(-c2cccc(F)c2)nc1Cl 584904602 QEKTVWLYLAXHIC-UHFFFAOYSA-N 308.740 3.350 0 40 DGAB C/C(=C\c1ccccc1)CNC[C@H]1CCO[C@H]1c1cnn(C)c1 584907134 ITHKCIFGPXWUIH-WQQJMYJYSA-N 311.429 3.191 0 40 DGAB Clc1cnccc1OCC1CCN(c2nccs2)CC1 1889096223 IASCLRDGSSORSJ-UHFFFAOYSA-N 309.822 3.487 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc12 46869 UCXSQRYCERRUHA-CYBMUJFWSA-N 322.364 3.404 0 40 DGAB Cc1cccc(NC(=O)COc2cccc(C(F)(F)F)c2)n1 140093 RHDYGCJNLDRKLW-UHFFFAOYSA-N 310.275 3.426 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Cc2ccccc2)c(OC(C)C)n1 1392046 ZLBSNZQZLDURTB-UHFFFAOYSA-N 319.426 3.460 0 40 DGAB COc1ccc(C(=S)NCc2ccc(C)cc2)cc1OC 1443856 VUEBOYHNKKZZHN-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)C(=S)N(c2ccccc2)C1=O 2044958 ZBZUARDFCQKAQM-CQSZACIVSA-N 310.422 3.456 0 40 DGAB CCCC[C@H](C(=O)O)[C@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2291963 WWPYVKGNBYMDKE-RISCZKNCSA-N 321.373 3.241 0 40 DGAB CC(C)(C)NC(=O)CCc1nc(-c2ccccc2Cl)no1 2445768 GAEQSRNIHQETTR-UHFFFAOYSA-N 307.781 3.237 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3ccc(Cl)cn3)CC[C@@]1(C)C(=O)C2 2549033 RVGVZEXNARTZPO-JKSUJKDBSA-N 306.793 3.459 0 40 DGAB COc1cc(C)c(S(=O)(=O)NC2CCCCCC2)cc1C 2697016 LCGXALNHCVEHAG-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB Brc1ccccc1[C@H]1NC(c2ccccc2)=NO1 3238315 WRHPNBSQUJFECI-AWEZNQCLSA-N 303.159 3.429 0 40 DGAB Cn1cnnc1SCc1cc(Cl)ccc1OC(F)F 3293511 DKVKICSPVLEJQB-UHFFFAOYSA-N 305.737 3.362 0 40 DGAB COc1ccccc1N1C[C@H](c2nc3ccc(C)cc3[nH]2)CC1=O 4370187 FZUNXNHTWAMGOI-CYBMUJFWSA-N 321.380 3.400 0 40 DGAB CC(C)(C)OC(=O)N1N=C2CCCCC[C@H]2[C@]1(O)C(F)(F)F 4503225 KPWCHMCWGLGPEW-RNCFNFMXSA-N 322.327 3.424 0 40 DGAB Nc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)nc12 4773379 UCRWLZBBVHAPMS-UHFFFAOYSA-N 317.352 3.181 0 40 DGAB COc1ccc(NC(=O)CCc2nc3cc(C)ccc3[nH]2)cc1 4999435 HAARRCOCVMHEPY-UHFFFAOYSA-N 309.369 3.451 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2cc3ccc(C)cc3[nH]c2=O)cc1 5053870 WCHPEYGQTBNWKR-UHFFFAOYSA-N 320.392 3.417 0 40 DGAB CC(C)(C)NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 5408099 CWFQGJLLGAAQQF-UHFFFAOYSA-N 324.837 3.132 0 40 DGAB COc1cccc(C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c1 5440023 XDDFNAIWPBNQHM-UHFFFAOYSA-N 324.380 3.383 0 40 DGAB COC(=O)c1cc(CNCc2ccc(Cl)cc2)ccc1OC 6602069 ZWTFNZIMWGOYEC-UHFFFAOYSA-N 319.788 3.425 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccc(F)cc3)c2[C@@H]1c1ccc(O)cc1 6747813 XHCBLQLRBBEYPX-KRWDZBQOSA-N 323.327 3.096 0 40 DGAB CCNc1nnc(SCc2nc(-c3ccccc3)no2)s1 7248065 NZBSTFBKLSPPRM-UHFFFAOYSA-N 319.415 3.312 0 40 DGAB Cc1ccc2nc(CN3CCC[C@H]4CCCC[C@@H]43)cc(=O)n2c1 7587587 IJWLSHRONAPGEC-WBVHZDCISA-N 311.429 3.158 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@H]1CC(=O)NCc1ccccc1 7943304 IZQYHEIAVUEONR-LJQANCHMSA-N 320.392 3.267 0 40 DGAB O=c1c2c(F)c(F)c(F)c(F)c2on2c3c(cc12)CCCC3 7974824 QKOBXSYMAZKNTK-UHFFFAOYSA-N 311.234 3.481 0 40 DGAB CCCc1ccc(S(=O)(=O)Oc2cccc(C(=O)O)c2)cc1 7985326 BNCZIHQBTLZSKW-UHFFFAOYSA-N 320.366 3.105 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 8274364 DGFYSPFQNRFWPU-HZMBPMFUSA-N 309.431 3.246 0 40 DGAB Cc1cc(NC(=O)CN2CCCC[C@@H]2C)ccc1N1CCCC1 8720785 CQVIKFCHNYTDPP-INIZCTEOSA-N 315.461 3.408 0 40 DGAB CN(Cn1nc(-c2cccnc2)n(C)c1=S)C1CCCCC1 8734706 BUOHYMHXHAKUFR-UHFFFAOYSA-N 317.462 3.235 0 40 DGAB COC(=O)c1ccc(COC(=O)c2ccc(Cl)c(N)c2)cc1 10874334 CQANIZAABICDKX-UHFFFAOYSA-N 319.744 3.066 0 40 DGAB S=C(NCc1ccco1)Nc1ccc(N2CCCCC2)nc1 11102084 HFOCDGYLEBVHSL-UHFFFAOYSA-N 316.430 3.152 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)Nc2ccc3c(c2)CCC3)c1C 12208211 FTUSKXIPPOVYCS-UHFFFAOYSA-N 312.369 3.159 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cc(-c2ccccc2)[nH]n1 12507158 YHYMCPOKMCKDGK-INIZCTEOSA-N 303.365 3.494 0 40 DGAB Cc1ccc(S[C@H](C)C(=O)NCCCCCC(=O)O)cc1 12794414 IJOYOXHPJTUPJT-CYBMUJFWSA-N 309.431 3.237 0 40 DGAB CC(C)OC(=O)c1ccc(CN2C(=O)c3ccccc3C2=O)cc1 12931880 RSXZUEXPQKMLNS-UHFFFAOYSA-N 323.348 3.048 0 40 DGAB CC(=O)Nc1ccc(C2=N/C(=C\c3cccs3)C(=O)O2)cc1 13926426 NIZLFCROPVAYGZ-ZROIWOOFSA-N 312.350 3.051 0 40 DGAB C[C@@H](Sc1nnnn1C1CC1)C(=O)c1ccc(Cl)cc1 16375653 XVBCDDPZINTQTE-MRVPVSSYSA-N 308.794 3.025 0 40 DGAB CC(C)NC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 17300716 UOWRJBGZROIRKU-UHFFFAOYSA-N 306.369 3.073 0 40 DGAB COc1ccc([C@H](C)NC(=O)/C=C/c2ccco2)cc1OC 20030323 URFXUAVXLGJYQC-CRALRDPISA-N 301.342 3.187 0 40 DGAB NC(=O)/C=C/c1ccc(-c2ccc(Br)cc2F)o1 20160005 OLTAYSFXYZLBLG-ZZXKWVIFSA-N 310.122 3.347 0 40 DGAB CC(C)Oc1ccc(CNCCN[C@H]2CCOC(C)(C)C2)cc1 20760484 FXXHGDDOKWKSIH-KRWDZBQOSA-N 320.477 3.111 0 40 DGAB biogenic CC(C)C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 20988962 PPWYQRBKSQQELC-UHFFFAOYSA-N 310.397 3.254 0 40 DGAB C[C@H]1c2cccn2CCN1Cc1nc(-c2ccc(F)cc2)no1 21579393 QRNQYUHZYHPJPP-LBPRGKRZSA-N 312.348 3.254 0 40 DGAB O=C(OCc1nc2ccccc2o1)c1cnc2ccccc2n1 22155134 RUWKDYOFJNXYBA-UHFFFAOYSA-N 305.293 3.128 0 40 DGAB CC(=O)c1ccc(OC(=O)c2ccc3c(c2)OCCCO3)cc1 22390571 HCSHYJLGJZBBHH-UHFFFAOYSA-N 312.321 3.270 0 40 DGAB CCC(CC)[C@H](CNC(=O)Nc1cccc(OC)c1)N(C)C 24989517 PDEBIGFUFLOQDU-INIZCTEOSA-N 307.438 3.183 0 40 DGAB C[C@H](NC(=O)c1cc(-c2ccccc2Cl)[nH]n1)[C@@H]1CCCO1 27906612 KVYIECXCIUUILQ-BONVTDFDSA-N 319.792 3.027 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)c2cc(F)cc(F)c2)c1 31809168 CJDAMYBKAZHWAS-UHFFFAOYSA-N 314.295 3.013 0 40 DGAB CC1(C)Cc2cccc(OCCNC(=O)[C@H]3CC=CCC3)c2O1 32049738 LYDGGAUSDPAIPC-AWEZNQCLSA-N 315.413 3.251 0 40 DGAB C1=C(CCNc2nc(N3CCCC3)c3nccnc3n2)CCCC1 32104883 KXMQLQAYTJZONE-UHFFFAOYSA-N 324.432 3.322 0 40 DGAB CC(=O)c1cn(CC(=O)NC[C@@H]2C[C@@H]3C=C[C@H]2C3)c2ccccc12 32106342 BVKKIUFWFPTIGS-PMPSAXMXSA-N 322.408 3.172 0 40 DGAB CCN(C(C)=O)c1nc(/C=C2/C(=O)Nc3ccccc32)cs1 32845216 KAPKRNIEZYEUPS-MDWZMJQESA-N 313.382 3.009 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccoc1 33146363 IZAXVWWDUQORIG-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)CN1CCc2ccccc2C1 35564957 POVUFKZWIFBOOV-OAHLLOKOSA-N 306.409 3.023 0 40 DGAB O=C(O)Cc1csc(-c2cc(Br)cs2)n1 36379616 DIWICFWGJWBALI-UHFFFAOYSA-N 304.190 3.261 0 40 DGAB in-vitro CCc1ccc(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)cc1 36635577 UIPRTTHTAHMDNX-INIZCTEOSA-N 312.344 3.132 0 40 DGAB O=C(OCc1ccc(Cl)nc1)c1cccnc1N1CCCC1 36735166 MCUIGABWFRRIAL-UHFFFAOYSA-N 317.776 3.087 0 40 DGAB C[C@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 37424738 XKHZFFVTORRINN-RBZYPMLTSA-N 303.233 3.102 0 40 DGAB O=C(c1cc(=O)c2ccccc2o1)N1CC[C@H](c2ccccc2)C1 38567191 KITJBNKLCLUWOQ-HNNXBMFYSA-N 319.360 3.423 0 40 DGAB O=S(=O)(Nc1ccccc1F)c1ccc(F)cc1Cl 39968682 NXNITMMDFQJSGK-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCNC(=O)c2cc(Cl)ccc2F)C1 40107596 USLIWNFTHRLLND-TXEJJXNPSA-N 312.816 3.187 0 40 DGAB O=C(NCCSC(F)(F)F)c1ccc(Cl)cc1F 40118585 RHFHBZFXVFOJEF-UHFFFAOYSA-N 301.692 3.462 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)Nc1cccc(-c2nnco2)c1 44087331 GCMWCKGOGMTXPW-SMDDNHRTSA-N 300.362 3.437 0 40 DGAB C[C@@H](Cn1cccn1)NC(=O)N[C@@H](C)c1ccc(Cl)s1 44955093 XWJQJRUBCUYBMS-UWVGGRQHSA-N 312.826 3.047 0 40 DGAB C[C@@H]1CN(C(=O)c2csc(-c3cccc(Cl)c3)n2)CCO1 48310467 VTFQCTAPOSGPTP-SNVBAGLBSA-N 322.817 3.324 0 40 DGAB Cc1cc(CNC(=O)NCCCN2CCC[C@H](C)C2)ccc1F 48317770 QCSJGBYVVQQVGD-AWEZNQCLSA-N 321.440 3.055 0 40 DGAB Cc1cc(C(=O)N2CCCc3cc(Br)ccc32)on1 48811036 TUJOYECGCPGQKW-UHFFFAOYSA-N 321.174 3.339 0 40 DGAB CCn1ccnc1S(=O)(=O)Cc1ccc(Cl)c(Cl)c1 49102197 YFWBHWSUKUNXAS-UHFFFAOYSA-N 319.213 3.184 0 40 DGAB O=C(NCCCN1CCCCCC1)c1cc(Cl)ccc1F 55173341 YKPSVHMJMCJKNN-UHFFFAOYSA-N 312.816 3.475 0 40 DGAB CC1CCN(C[C@H]2CCCN(C(=O)NC3CCCCC3)C2)CC1 57924569 MGZCMHKOZHCAQF-QGZVFWFLSA-N 321.509 3.473 0 40 DGAB CCCc1n[nH]c(SCC(=O)c2cc(C)ccc2OC)n1 58292988 PSTVGCOYOFNTEI-UHFFFAOYSA-N 305.403 3.049 0 40 DGAB Cc1ccn2c(F)c(-c3nnc(Cc4ccccc4)o3)nc2c1 66089219 WPIFTPRPOXUVFH-UHFFFAOYSA-N 308.316 3.423 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc3[nH]ncc23)C[C@H](c2ccccc2)O1 67827968 ISEMPBMRSHLCMX-FZKQIMNGSA-N 321.380 3.165 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)NC1CC(C)(C)NC(C)(C)C1 69102691 MGAFUCNCJCZHNX-LBPRGKRZSA-N 307.438 3.291 0 40 DGAB CCC(C)(C)NC(=O)[C@H](C)[S@@](=O)Cc1cc(C)ccc1C 69529691 DDPDXJGKHBNDOG-LHSJRXKWSA-N 309.475 3.245 0 40 DGAB O=C(c1cc2ccccc2o1)N1CCCC[C@H]1Cn1cccn1 69970388 MGGALFJNZLSIQC-HNNXBMFYSA-N 309.369 3.324 0 40 DGAB Nc1nc(CSCC(=O)Nc2ccccc2)nc2ccccc12 71858789 LKPSHDJDOFGRLR-UHFFFAOYSA-N 324.409 3.084 0 40 DGAB O=C1[C@@H](Sc2nncs2)CCN1c1ccccc1Cl 71893910 OWJPJTFBMJUCSJ-JTQLQIEISA-N 311.819 3.089 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)COC2CCCC2)n1 72232433 AUOPDGNSOMXEDE-CQSZACIVSA-N 308.447 3.464 0 40 DGAB C/C(=C\c1ccccc1)CNC[C@@H]1CCCN1c1cccnn1 72254094 BNBPVWPBKBSWPQ-QCUIPMNBSA-N 308.429 3.139 0 40 DGAB Cc1ccc(F)c(NC(=O)N[C@H](CCO)c2cccs2)c1 72294159 ALBUWEAXRGGLQK-GFCCVEGCSA-N 308.378 3.441 0 40 DGAB COc1ccc(NC(=O)N[C@H](CCO)c2cccs2)cc1C 72294201 QEQIEQDVWRPMHA-CYBMUJFWSA-N 320.414 3.310 0 40 DGAB CCOC[C@H]1CCCN(C(=O)Nc2cc(C(C)(C)C)on2)C1 73189929 YWCOOQGHAUODGS-LBPRGKRZSA-N 309.410 3.253 0 40 DGAB Cc1nc(-c2c[nH]c(C(=O)N(C)c3c(C)noc3C)c2)cs1 75093499 DVLCAXMSYPVWQV-UHFFFAOYSA-N 316.386 3.328 0 40 DGAB COC1CCN(C(=O)N[C@@H](C)Cc2cc(C)cc(C)c2)CC1 75111406 PJIDKHYPFNJYOW-HNNXBMFYSA-N 304.434 3.055 0 40 DGAB CCC(=O)Nc1ccc(NCc2ccc(OC)c(O)c2)cc1 78990002 WWJUBQCEMSNRKU-UHFFFAOYSA-N 300.358 3.361 0 40 DGAB CC(C)OC(=O)c1ccc2c(c1)[nH]c(=O)n2-c1ccc(F)cc1 85389038 DOHMSCNJWZZPIL-UHFFFAOYSA-N 314.316 3.023 0 40 DGAB CCSCCC(=O)NC[C@@H](O)c1ccc2ccccc2c1 89275235 GWAISIMQLAMNCD-MRXNPFEDSA-N 303.427 3.133 0 40 DGAB Cc1ccoc1[C@H](C)N[C@H](C)c1cccc(NS(C)(=O)=O)c1 89515255 YYUCBNYFHMADEZ-OLZOCXBDSA-N 322.430 3.371 0 40 DGAB CCC[C@H]1SCCN1C(=O)c1cc(=O)c2ccccc2o1 89950054 XPVCALAXEIUKDI-OAHLLOKOSA-N 303.383 3.108 0 40 DGAB Cc1ccc(C)c(C(=O)N[C@H](C)[C@H](O)c2ccc(F)cc2)c1 95430040 SAQSWKVQRPAEIS-DYVFJYSZSA-N 301.361 3.294 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1ccc2ccn(C(C)C)c2c1 95476252 ORHVKQRHKCNMIH-QGZVFWFLSA-N 313.445 3.436 0 40 DGAB FC(F)(F)Sc1ncccc1I 95918445 BQOHMKREGIQYPT-UHFFFAOYSA-N 305.062 3.298 0 40 DGAB CCC[C@@H]1CCc2ccccc2N1C(=O)c1ccc(=O)n(C)c1 95965943 VPTHXQUVXYJIBQ-MRXNPFEDSA-N 310.397 3.147 0 40 DGAB CCOC[C@@H]1CCC[C@@]12CN(Cc1ccc(F)cc1)CCO2 96051872 MGLCCVGHIGUBDL-FUHWJXTLSA-N 307.409 3.233 0 40 DGAB CCOC[C@H]1CN(Cc2ccsc2)Cc2cn(CC)nc21 96198082 XBZIQLBJIZUOCK-OAHLLOKOSA-N 305.447 3.100 0 40 DGAB O=C(Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1)c1cscn1 96412546 IZFSIUUEORAHCF-GJZGRUSLSA-N 318.398 3.078 0 40 DGAB CCO[C@H]1C[C@@H](NC(=O)c2scnc2Cl)C12CCCC2 96432475 XMQQQTGQHGWUEH-ZJUUUORDSA-N 314.838 3.264 0 40 DGAB CSC[C@H](C)C(=O)N[C@H](C)c1ccc(-c2cncnc2)cc1 96443830 KUSBKDFDWZSAPN-QWHCGFSZSA-N 315.442 3.320 0 40 DGAB CCC[C@@H](C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 96456502 HTQXKTUJZIXGMC-OLZOCXBDSA-N 301.390 3.274 0 40 DGAB CN(Cc1ccccn1)[C@H](CO)c1cccc(Br)c1 96487663 NFVMFXPVTPAILX-OAHLLOKOSA-N 321.218 3.010 0 40 DGAB Cc1nccc(Sc2nnc3c(Cl)cc(Cl)cn23)n1 97212651 RHZABSCFVLKFKN-UHFFFAOYSA-N 312.185 3.286 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]3C2=O)C42CC2)c(C)c1 100510387 QBBAWFDMPDVLTB-YHUYYLMFSA-N 307.393 3.313 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C[C@@H]4[C@H]5C[C@H]([C@H]24)[C@@H]1[C@@H]35 100884646 OLRUHJPVOOXZIZ-CMVIEHCXSA-N 304.025 3.250 0 40 DGAB O=C1C[C@H](Nc2ccccc2Cl)C(=O)N1c1ccccc1F 101276442 PWWZDMBHHPPRDO-ZDUSSCGKSA-N 318.735 3.223 0 40 DGAB CC(=O)Nc1cccc(CNC(=O)c2ccc(F)cc2C)c1 137271899 AYCNHUGAHWZBQU-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB CNC(=O)CCCC(=O)NC1(c2cccc(Cl)c2)CCCC1 156302755 CDBJRVINUGEPKB-UHFFFAOYSA-N 322.836 3.142 0 40 DGAB CC(C)n1ncc2ccc(NC(=O)NCCc3ccccn3)cc21 194784432 WTLLTTUIWUVTHH-UHFFFAOYSA-N 323.400 3.376 0 40 DGAB COC(=O)N1CCC(N[C@@H](C)Cc2ccccc2SC)CC1 195558478 OCJFIYVCEJRYOV-ZDUSSCGKSA-N 322.474 3.160 0 40 DGAB Cc1c(Cl)cnc(NC(=S)NC[C@@H]2CCCO2)c1Cl 223896312 SADPTDXOKVXGEL-QMMMGPOBSA-N 320.245 3.162 0 40 DGAB O=C(NC[C@H]1CCCO1)N(Cc1ccsc1)Cc1ccco1 225552411 XHJXWRIASAFLKC-CQSZACIVSA-N 320.414 3.232 0 40 DGAB Cc1ccccc1NC(=O)NCCc1ccc([C@H](C)O)s1 225690360 KIFSZNNWPACVRN-LBPRGKRZSA-N 304.415 3.474 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2ccncc2)cc1C 225792067 BXERQWYQTUKNAJ-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB CCCCC[C@](C)(OC)C(=O)Nc1ccc(OCCOC)nc1 225886679 VLPDJAQDXDPSET-KRWDZBQOSA-N 324.421 3.031 0 40 DGAB Fc1ccc(F)c(-n2ncc3c(Cl)nc(Cl)nc32)c1 228953662 CHZLLYXRKWPIAH-UHFFFAOYSA-N 301.083 3.401 0 40 DGAB O=C(Cc1cccs1)N1CCC[C@H](Cc2cccnc2)C1 257300022 RSOYMMDIQURZDV-OAHLLOKOSA-N 300.427 3.167 0 40 DGAB CC(C)(C)c1nnc(N2CCN(c3ccc(F)cc3)CC2)s1 301683367 VYOLJJWKVUZWJX-UHFFFAOYSA-N 320.437 3.301 0 40 DGAB COCCNC(=S)c1ccc(OCc2ccccc2)cc1 408573121 MCENBFZQMVYXLX-UHFFFAOYSA-N 301.411 3.177 0 40 DGAB C[C@H]1Oc2ccccc2[C@@H]1NC(=O)c1cnc(O)c2ccccc12 583666357 UUBRHKFNAVFXIW-PIGZYNQJSA-N 320.348 3.192 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccccc2CN(C)C)c(C)c1 584906901 IRMDYJQSTWKJOW-UHFFFAOYSA-N 318.442 3.166 0 40 DGAB CC(C)Oc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)cc1 144467 LVTJEOZORQRCOE-LSDHHAIUSA-N 305.374 3.303 0 40 DGAB C[C@@H](Oc1cccc(Br)c1)C(=O)NCc1ccco1 150361 QHQSJOAFGAKEJL-SNVBAGLBSA-N 324.174 3.126 0 40 DGAB CN1CCC2(CC1)Oc1ccccc1[C@H]1CC(c3ccco3)=NN12 507517 USPYSSDFDADJTF-MRXNPFEDSA-N 323.396 3.245 0 40 DGAB CN(C)C(=O)c1cccc(COc2ccc(N)cc2Cl)c1 1728965 NTHPDLAMVLBZJA-UHFFFAOYSA-N 304.777 3.203 0 40 DGAB COc1ccc(/C=C2/SC(=S)N=C2O)c(OC)c1OC 2566745 RLKUSBAQGRQENV-RMKNXTFCSA-N 311.384 3.042 0 40 DGAB Cn1c(SCC(=O)C(C)(C)C)nnc1-c1ccc(F)cc1 3283984 GAEXLCRGBKRZNS-UHFFFAOYSA-N 307.394 3.329 0 40 DGAB O=C(Nc1ccc(-c2cn3ccsc3n2)cc1)[C@H]1CCCO1 3341172 BYABAFIBHMJAFG-CQSZACIVSA-N 313.382 3.180 0 40 DGAB O=C(CCCOC(=O)c1ccccc1O)c1ccc(F)cc1 3344129 BHNHORRVHCMMEW-UHFFFAOYSA-N 302.301 3.351 0 40 DGAB CCOc1ccccc1[C@H]1[C@@H]2CCCC[C@]2(O)CCN1C(C)=O 4064336 CTGDXOZPIXKQGX-WDSOQIARSA-N 317.429 3.300 0 40 DGAB biogenic CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 4064408 LASVGJPXULFNRN-MRXNPFEDSA-N 316.401 3.438 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2cc(Cl)ccc2O)c1 4744725 ZWDKZZXOWZQYCF-UHFFFAOYSA-N 311.790 3.463 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ncoc1-c1ccc2ccccc2c1 5002085 WBLQDELRPMQTOJ-MRXNPFEDSA-N 322.364 3.404 0 40 DGAB O=c1oc(-c2cccs2)nn1Cc1nc2ccccc2s1 8316672 WBSOKMCRHKBUIN-UHFFFAOYSA-N 315.379 3.223 0 40 DGAB O=C(c1cncn1-c1ccc(F)cc1)N1CCc2ccccc21 8746598 JOYXGSUMGZAHQS-UHFFFAOYSA-N 307.328 3.214 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c(C)c1 8751725 MSSUGPPXVKTKQF-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCCCCCC1 9154922 BHXRZGNFGJSTOC-UHFFFAOYSA-N 313.401 3.287 0 40 DGAB O=C(COc1ccccc1O)NCC12CC3CC(CC(C3)C1)C2 9604057 MNZLSXQDZYXGFU-UHFFFAOYSA-N 315.413 3.104 0 40 DGAB COc1ccccc1-n1[nH]c(C)c(Cc2ccc(C)cc2)c1=O 9939736 DUZZHNRTCAWFNW-UHFFFAOYSA-N 308.381 3.382 0 40 DGAB CC(C)CCC[C@H](C)NC(=O)CCNC(=O)c1ccccc1 10473882 BTWVDBGGLAUHNG-HNNXBMFYSA-N 304.434 3.138 0 40 DGAB COc1cc(OC)cc(C(=O)NCCCc2ccc(F)cc2)c1 10542337 HNDBTNWTXDHPMI-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB Cc1cc(C(=O)CSc2nncn2C2CC2)c(C)n1C1CC1 10648917 JXFGYLJDEBBKBL-UHFFFAOYSA-N 316.430 3.341 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)c(Cl)c1)c1ccco1 11070874 CZTZWNIHELPZSR-UHFFFAOYSA-N 304.733 3.312 0 40 DGAB Oc1cccc(Oc2ccc3nnc(-c4ccccc4)n3n2)c1 12406784 BQLMITOKHSMTKO-UHFFFAOYSA-N 304.309 3.289 0 40 DGAB CC(=O)NC1C[C@@H]2CCC[C@H](C1)N2C(=O)Nc1cccc(C)c1 12481896 OBDKWGNBNXRSAF-ALOPSCKCSA-N 315.417 3.049 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)c2nc3ccccc3[nH]2)cc1C 12506865 TXMKZBVHLCUJPY-CQSZACIVSA-N 323.396 3.436 0 40 DGAB CCn1c(C)cc(C(=O)Nc2ccc(OC)c(OC)c2)c1C 12607163 PJBZMEPPQIFKRH-UHFFFAOYSA-N 302.374 3.394 0 40 DGAB COc1ccc(O)c(C(=O)c2cnn(-c3ccc(C)cc3C)c2)c1 12814896 SQIHRZVPMCZIGA-UHFFFAOYSA-N 322.364 3.434 0 40 DGAB O=C(Cc1ccccc1)Nc1ccc(F)c(NC(=O)C2CC2)c1 12856033 JWMIPIUQYBLDFG-UHFFFAOYSA-N 312.344 3.355 0 40 DGAB CCC[C@@H](C)NC(=O)N(C)CC(=O)Nc1c(C)cc(C)cc1C 12982861 BYBVRCDXLOOQRT-OAHLLOKOSA-N 319.449 3.380 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)s1 14016786 ZODWFZDZTSKQRV-ACFJMREFSA-N 303.387 3.469 0 40 DGAB COCCCNC(=O)COc1ccc(Cl)c2ccccc12 14188732 XUCOYPCOBBXXEL-UHFFFAOYSA-N 307.777 3.025 0 40 DGAB O=C1CN(C(=O)c2ccc3c(c2)CCCC3)c2ccccc2N1 14851641 FPEJWHOERMTWCO-UHFFFAOYSA-N 306.365 3.164 0 40 DGAB Cc1nc(CNC(=O)[C@@H](C)Oc2cccc(C)c2C)cs1 15832232 GZDQETYJHHUWTH-GFCCVEGCSA-N 304.415 3.152 0 40 DGAB CCN1CCN(Cc2cc(=O)oc3ccc(C(C)C)cc23)CC1 20548597 JXEPWHVYHXCEJQ-UHFFFAOYSA-N 314.429 3.054 0 40 DGAB biogenic CC(C)N(C(=O)[C@@H](C)OC(=O)c1cc2ccccc2[nH]1)C(C)C 21605179 WYNXTLJXZRPZFP-CYBMUJFWSA-N 316.401 3.359 0 40 DGAB Cc1cc(NC(=O)Cc2ccsc2)ccc1N1CCCC1=O 22492401 WNOMFPFHNPCUES-UHFFFAOYSA-N 314.410 3.365 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1Br)c1ccncc1 22881445 XZLFFIXSYZHBJR-VIFPVBQESA-N 323.165 3.474 0 40 DGAB CCOc1ccc(CCC(=O)Nc2nnc(C3CC3)s2)cc1 28250458 WXJFIXWDVXJHBF-UHFFFAOYSA-N 317.414 3.386 0 40 DGAB Cc1csc(NC(=O)c2cc3cnn(C(C)C)c3nc2C)n1 28642070 XBFDPCDLIRSPGM-UHFFFAOYSA-N 315.402 3.338 0 40 DGAB O=C(NCCCn1cccn1)c1cc2c(s1)CCCCCC2 30171830 IHXVKHMJVIZZEP-UHFFFAOYSA-N 317.458 3.424 0 40 DGAB O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30174692 VBPMGBOXPYMAMN-CJNGLKHVSA-N 314.385 3.099 0 40 DGAB CCCn1nccc1C(=O)Nc1nc2ccc(OC)cc2s1 32611547 VKJOXBVCKUXNHA-UHFFFAOYSA-N 316.386 3.164 0 40 DGAB C[C@@H](NC(=O)c1cc(F)cc(Br)c1)c1cccnc1 36395174 FFCVBQACWYHEOR-SECBINFHSA-N 323.165 3.474 0 40 DGAB C[C@@H](Nc1ncc(C(F)(F)F)cc1Cl)c1nncn1C 40538656 OOEJNNIZCJBTJB-ZCFIWIBFSA-N 305.691 3.055 0 40 DGAB CN(Cc1ccncc1)S(=O)(=O)c1ccc2ccccc2c1 42678425 DQCVIQXRKGVEAJ-UHFFFAOYSA-N 312.394 3.056 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC(=O)[C@@H]2O 43754926 HYTUXCLDWATLGA-NLPXPOPTSA-N 300.398 3.091 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)c2ccc(Cl)cc2F)C1 46960599 OWWRFKNVZBJSQR-LBPRGKRZSA-N 312.816 3.331 0 40 DGAB Cc1cc([C@@H]2CCCN2Cc2nc(Cc3ccccc3)no2)on1 48249251 MRGVDYPYZFSQFU-HNNXBMFYSA-N 324.384 3.294 0 40 DGAB Cc1c(Br)cc2c(c1C)OC[C@@H](N1CCCC1)C2=O 55125444 MYQZJAUPPHTWMK-CYBMUJFWSA-N 324.218 3.105 0 40 DGAB COCCN(C)C(=O)Nc1ccc(OC(F)F)c(Cl)c1 56547979 FZQVXMLQROXXRG-UHFFFAOYSA-N 308.712 3.052 0 40 DGAB COc1ccc(C(=O)OCC(=O)Nc2cccc(C)c2)c(C)c1 57471978 WMYFEINOLKTIDV-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N1CCC[C@@H]1CN1CCCC1 58019062 OBZAMLPPWFNKJP-OAHLLOKOSA-N 307.825 3.432 0 40 DGAB CC[C@H](C)n1c(S[C@@H]2CCOC2=O)nnc1-c1ccccc1 58202525 YTGBKKQQUACMQK-WCQYABFASA-N 317.414 3.324 0 40 DGAB O=S(=O)(CCNC1CCCCCC1)c1ccc(Cl)cc1 60934954 WODOFLICKDLKJF-UHFFFAOYSA-N 315.866 3.426 0 40 DGAB CCOc1cccc2c1OCC(C(=O)Nc1c(C)noc1C)=C2 63447148 JBZGTIKTLNJYTI-UHFFFAOYSA-N 314.341 3.105 0 40 DGAB O=C1COc2ccccc2CN1c1ccc(Br)cc1 65184290 OWRPCKAVERIOJH-UHFFFAOYSA-N 318.170 3.375 0 40 DGAB O=S(=O)(NCCc1ccccc1)c1ccc(C(F)F)cc1 71415926 PFYYDMGLKLXKII-UHFFFAOYSA-N 311.353 3.145 0 40 DGAB CC(C)(C)n1cc(NC(=O)C2(c3ccc(F)cc3)CC2)cn1 71840952 JXVNVBFOIKJRFP-UHFFFAOYSA-N 301.365 3.448 0 40 DGAB Cc1cc(C)nc(OC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203022 IJFRAARZDUJLCD-AWEZNQCLSA-N 321.421 3.119 0 40 DGAB Cc1csc(CNC(=O)Cc2ccc(OCC(C)C)cc2)n1 72270335 SBWFIOMQXUPYFM-UHFFFAOYSA-N 318.442 3.345 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)c1ccc(F)c(F)c1 73667393 RINALBYTNFXSPP-UHFFFAOYSA-N 318.308 3.131 0 40 DGAB CC[C@@H]1COCCN1C(=O)Nc1cccc(-c2nccs2)c1 76069403 LKNRATDQLSBXPA-CQSZACIVSA-N 317.414 3.453 0 40 DGAB C[C@@H](CCO)CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl 76069978 YLVZGTHUZFMJAJ-QMMMGPOBSA-N 324.730 3.499 0 40 DGAB C[C@H](CNC(=O)NC[C@H](O)c1ccsc1)Cc1cccs1 76088989 MCPSSQOJWNOBEY-FZMZJTMJSA-N 324.471 3.021 0 40 DGAB Cc1nsc(N[C@@H]2CCCN(c3ccc(F)cc3C)C2)n1 78266901 ANTUZXGCBDPFFE-CYBMUJFWSA-N 306.410 3.375 0 40 DGAB C[C@H]1CCCCN1C(=O)C1CCN(C(=O)OC(C)(C)C)CC1 78394549 VECJYBHUCNUZJH-ZDUSSCGKSA-N 310.438 3.035 0 40 DGAB Cc1ccoc1C(=O)N(C)[C@H]1CCCN(Cc2ccccc2)C1 80501602 OZCIAWQPIBMZTE-KRWDZBQOSA-N 312.413 3.325 0 40 DGAB CCc1ccc(CC)c(NC(=O)c2c(C)nn(C)c2OC)c1 89284682 FXGGGXVGWHDPKX-UHFFFAOYSA-N 301.390 3.114 0 40 DGAB Cc1ccc(N2CC[C@H](N[C@@H](C)CC(F)(F)F)C2=O)cc1 90101033 YQPMFXHGYVYJBP-AAEUAGOBSA-N 300.324 3.031 0 40 DGAB CCOc1ccc(C2=CCN(C(=O)c3cc(C)on3)CC2)cc1 91923557 KEDJIKCMTRBREQ-UHFFFAOYSA-N 312.369 3.311 0 40 DGAB Cc1cccc(OCCc2nnc(NC(=O)C(C)(C)C)s2)c1 95116367 IXKYKQAUOXJHNA-UHFFFAOYSA-N 319.430 3.453 0 40 DGAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1cc(Cl)ccc1O 95443563 UOWGFMPTLCMXLL-QMMMGPOBSA-N 307.781 3.203 0 40 DGAB O=C(c1ccc(Br)cc1F)N1CCc2ccncc21 95467844 FDVPPJLMKSCJRU-UHFFFAOYSA-N 321.149 3.186 0 40 DGAB Cc1ccc2c(ccn2CCC(=O)NCCc2ccc(O)cc2)c1 95474338 OMYXGQQJDFSNHI-UHFFFAOYSA-N 322.408 3.404 0 40 DGAB COc1ccc([C@H](C)NCC[S@@](=O)C(C)(C)C)cc1F 95968111 PMYRZIPWMLDMFS-YBTHPKLGSA-N 301.427 3.032 0 40 DGAB O=C(c1ccc(F)c(F)c1)N(Cc1ccco1)C1CCOCC1 96097093 JFYSMCCMDWSJGD-UHFFFAOYSA-N 321.323 3.379 0 40 DGAB CN(C)c1cccc([C@@H]2CCCN2C(=O)c2cscn2)c1 96410169 UBBLOXNTBMNWNC-HNNXBMFYSA-N 301.415 3.186 0 40 DGAB CCc1ccc([C@H]2C[C@H](C)CCN2C(=O)c2csnn2)o1 96433235 UDVJJENWDCGASR-ZWNOBZJWSA-N 305.403 3.307 0 40 DGAB FC(F)CN1CCC(N[C@H]2CCCc3sccc32)CC1 96476829 UWRSZHPYWFRWCK-ZDUSSCGKSA-N 300.418 3.445 0 40 DGAB C[C@@H](Cc1ccsc1)N[C@@H]1CCN(c2ncccc2F)C1 96479253 YCZZTXWXIUSYNV-GXTWGEPZSA-N 305.422 3.082 0 40 DGAB CC[C@@H]([C@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96519584 PQQKPQCWSDGECH-NWDGAFQWSA-N 311.230 3.240 0 40 DGAB COc1ccc(C(C)=O)c(OCC(=O)N(C)C2CCCCC2)c1 96942559 XPVPVGBTAIEIKS-UHFFFAOYSA-N 319.401 3.068 0 40 DGAB C[C@H](CNC(=O)CCc1ccc(C(=O)O)cc1)c1cccs1 97036779 UTGDDKSNIBSGPT-GFCCVEGCSA-N 317.410 3.299 0 40 DGAB CCn1cc(CNc2nnc(Cc3ccc(Cl)cc3)o2)cn1 97045452 PXOSCGDHLHHTFX-UHFFFAOYSA-N 317.780 3.142 0 40 DGAB CCCN1CCC(Nc2ccc(C(=O)NC(C)C)c(C)c2)CC1 97378238 JUOWCCPJNVVJHY-UHFFFAOYSA-N 317.477 3.420 0 40 DGAB Cc1cccc(NC(=O)NCC2([C@H](O)c3ccccc3)CC2)n1 97378561 XZSYZUXQXKMAOW-MRXNPFEDSA-N 311.385 3.025 0 40 DGAB O=C(NCc1ccncc1)C12C[C@H]3C[C@@H](CC(Cl)(C3)C1)C2 102082870 NFZSSANRGUKCPV-QBBMROGASA-N 304.821 3.276 0 40 DGAB COc1ccc2c(c1)[C@@H]1[C@H]3O[C@@H](c4ccccc43)[C@@H]1[S@@](=O)N2 104245686 QZUQIGFOFFTNRG-LIXITEDJSA-N 313.378 3.063 0 40 DGAB CCO[C@H]1[C@H]2CC[C@H]1N(Cc1ccc3ccccc3n1)CCO2 107720543 IGOQEKZXLQBWHI-GUDVDZBRSA-N 312.413 3.003 0 40 DGAB CCC1(CC)[C@@H](OC)C[C@H]1N[C@@H]1CCO[C@@]2(CCSC2)C1 108490618 REFHWWMASNIYCA-WCVJEAGWSA-N 313.507 3.224 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CC=CCC2)o1 184957225 NAUCIQHJUMXZBM-ZFWWWQNUSA-N 304.390 3.381 0 40 DGAB C[C@H](Cc1ccccc1F)Nc1cccc(NS(C)(=O)=O)c1 186713817 CVEBMIVRQZAUTC-GFCCVEGCSA-N 322.405 3.240 0 40 DGAB CCn1cc(CN[C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)cn1 195536045 FKGREKHBHRSAQX-LPHOPBHVSA-N 312.461 3.046 0 40 DGAB O=C(O)c1ccc2c(c1)[C@]1(C[C@@H]1c1ccccc1Cl)C(=O)N2 217476335 NRCFBBJFOVKPPU-PXAZEXFGSA-N 313.740 3.416 0 40 DGAB CC(C)OCCCNC(=O)[C@H](C)Oc1cccc2c1CCCC2 223611909 OFIFBIYQQAOZLP-HNNXBMFYSA-N 319.445 3.264 0 40 DGAB O=C(NC1CCOCC1)N(Cc1ccsc1)CC(F)(F)F 225554556 GNGZWUGOWQIOMZ-UHFFFAOYSA-N 322.352 3.001 0 40 DGAB CCOc1nn(C)c2ccc(NC(=O)C3CCCCC3)cc12 227163960 ZIDOWUPNZKOWHL-UHFFFAOYSA-N 301.390 3.491 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(CN)cc1OC(F)(F)F 228917004 TVAUJWCCFNZASN-UHFFFAOYSA-N 306.284 3.391 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)c2ccc(C)s2)nc(C)n1 257255457 KHNQGEFVAORNBY-ZDUSSCGKSA-N 316.430 3.174 0 40 DGAB Cc1ccnc([C@]2(C)CCCN2C(=O)c2sccc2C)n1 257289250 PXSWEFAGZVKGEP-INIZCTEOSA-N 301.415 3.306 0 40 DGAB Fc1ccc(CN2CCn3c(-c4ccncc4)cnc3C2)cc1 306125604 CVJIYOSYIZOBTN-UHFFFAOYSA-N 308.360 3.100 0 40 DGAB O=C(c1ccc(-c2ccccc2)o1)N1CC[C@@H](O)CC12CCC2 521422480 HPAXCKONTZOEGQ-OAHLLOKOSA-N 311.381 3.466 0 40 DGAB CC(C)n1nccc1CN1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O 583619502 TVROORONARXZFH-KZNAEPCWSA-N 305.466 3.370 0 40 DGAB Cc1ccc(C(C)(C)CC(=O)N2CCO[C@@H](C(F)F)C2)cc1 585079982 FOEZOJKHDXPHJE-CQSZACIVSA-N 311.372 3.155 0 40 DGAB FC(F)C1(c2nc(-c3cnc4ccccn34)no2)CCCC1 585084231 OCSKHEKNICYQAU-UHFFFAOYSA-N 304.300 3.461 0 40 DGAB COc1cccc2c1OC(C)(C)[C@@H]1C[C@H]3NCCC[C@H]3O[C@@H]21 585262800 HGCJAIHWDJBUHZ-KQTLUZQSSA-N 303.402 3.064 0 40 DGAB Cc1ccc2cc(CNC[C@@H](O)c3ccccc3)c(O)nc2c1 585295202 PRCKNMSMXRWIAL-GOSISDBHSA-N 308.381 3.072 0 40 DGAB Cc1nc2ncnn2c(N2CC3(CC(c4ccccc4)C3)C2)c1C 1775970225 HYOYRWQMNKZXKK-UHFFFAOYSA-N 319.412 3.125 0 40 DGAB CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1 367495 PDUNVGQKEQXZPG-UHFFFAOYSA-N 305.399 3.219 0 40 DGAB NC(=O)c1ncc(C(F)(F)F)cc1Oc1ccc(F)cc1 1391406 AHQXSABAUNREIH-UHFFFAOYSA-N 300.211 3.131 0 40 DGAB Cc1cc(NC(=O)c2cccc(COCC(F)(F)F)c2)no1 2741178 FTVAPDPAOYGWKS-UHFFFAOYSA-N 314.263 3.314 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)c(F)c2)cc1 3362919 UZLWPPASOKLLBC-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1nc(Sc2nccn2C)c2c3c(sc2n1)CCC3 3363819 MXFVRDASYVLFHB-UHFFFAOYSA-N 302.428 3.373 0 40 DGAB COc1cc(NC(=O)CCC2CCCC2)c(C(=O)O)cc1OC 3887810 PWCGNXFMBRRUND-UHFFFAOYSA-N 321.373 3.311 0 40 DGAB Cc1ccc(NC(=O)C(=O)N[C@H](C)c2ccccc2)cc1Cl 4599460 QIPXZQQVSJZZSR-GFCCVEGCSA-N 316.788 3.464 0 40 DGAB O=c1cc(-c2cccs2)sc2nc(-c3ccco3)nn12 4786654 OFHHBVPOHLNADG-UHFFFAOYSA-N 301.352 3.140 0 40 DGAB C[C@H]1C[C@H](c2ccccc2)n2ncnc2N1C(=O)c1ccccc1 4814983 HQPITVSNTAFTRM-WMLDXEAASA-N 318.380 3.307 0 40 DGAB O=C(NC[C@H]1COC2(CCCCC2)O1)c1cccc(Cl)c1 4941194 GBJIBCYVSDSDBN-AWEZNQCLSA-N 309.793 3.146 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2cccc(-n3cnnn3)c2)cc1 5483814 FFXOETPOXOYRHY-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB CN(C(=S)NC(=O)[C@]1(C)CC1(Cl)Cl)c1ccccc1 5657778 IFSUAVMIUGUSKU-LBPRGKRZSA-N 317.241 3.108 0 40 DGAB Cc1ccccc1OCC(=O)Nc1c(C)ccc2nsnc12 5711949 FEDUZBKYHMGNIQ-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CC[C@H](C)NC(=O)CSc1nnc(-c2ccc(C)c(C)c2)o1 5778937 ROVALPSNDIQLTR-LBPRGKRZSA-N 319.430 3.360 0 40 DGAB Cn1c(S)nnc1-c1ccc(NC(=O)c2ccccc2)cc1 6557190 QRENRYXZFWPFAH-UHFFFAOYSA-N 310.382 3.023 0 40 DGAB CCCOC(=O)c1cccc(N2C(=O)c3ccccc3C2=O)c1 6880595 AHULALHNZQCEPR-UHFFFAOYSA-N 309.321 3.054 0 40 DGAB CCc1ccc(CCC(=O)NCc2ccc3c(c2)OCO3)cc1 8273431 UASCVGKPIQJLKG-UHFFFAOYSA-N 311.381 3.227 0 40 DGAB C[C@@H](OC(=O)c1ccc(Cl)nc1)C(=O)Nc1ccc(F)cc1 8338693 DYPBQVTZZWIGDW-SECBINFHSA-N 322.723 3.058 0 40 DGAB CCSc1nc2nc(-c3ccc(Cl)cc3)cc(O)n2n1 9066939 FFRTXNYZYXOZGJ-UHFFFAOYSA-N 306.778 3.262 0 40 DGAB O=c1ccc(C(F)(F)F)cn1Cc1cccc2cccnc12 10497486 UMDZPKXHUPIQIB-UHFFFAOYSA-N 304.271 3.464 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1cccs1 12420839 PSEAQZJAXMVQMO-CYBMUJFWSA-N 314.366 3.174 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCCN1C(=O)c1cccs1 12902675 FJPRVMFFWMTJPO-CQSZACIVSA-N 314.410 3.382 0 40 DGAB CCn1c(=O)n(CCC(=O)Nc2ccc(C)cc2)c2ccccc21 12989394 YPFLQVBTAXEERI-UHFFFAOYSA-N 323.396 3.160 0 40 DGAB Cc1ccc(/[S@@](C)=N\S(=O)(=O)c2ccc(C)cc2)cc1 13146946 HZTFMTGJVKQSNS-IBGZPJMESA-N 307.440 3.483 0 40 DGAB O=C(Cc1csc(Nc2ccc(F)cc2)n1)N1CCCC1 16850159 UDGCKBRMWWESQD-UHFFFAOYSA-N 305.378 3.191 0 40 DGAB Fc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19842466 SRFLUJDNZXIEFF-FGTMMUONSA-N 300.421 3.156 0 40 DGAB Cn1c(=N)n(CCOc2ccc(Cl)cc2)c2ccccc21 19998056 KFKUGSOKURMWIH-UHFFFAOYSA-N 301.777 3.192 0 40 DGAB C[C@H]1CCCN(c2ccc(C(=O)NCc3ccccc3)cn2)C1 20098092 GLBZPJVELAFNCT-HNNXBMFYSA-N 309.413 3.248 0 40 DGAB CN(CC(=O)NC(C)(C)C)c1ncc(C(F)(F)F)cc1Cl 21673745 IZCPYVPJIOEJRI-UHFFFAOYSA-N 323.746 3.105 0 40 DGAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@H]1CC=CCC1 22288783 ZAFHNLUOMKNIAE-ZDUSSCGKSA-N 305.447 3.424 0 40 DGAB COc1ccc(F)cc1COC(=O)c1[nH]c(C)c(C(C)=O)c1C 24766211 FJYGYSFOLIMMGX-UHFFFAOYSA-N 319.332 3.339 0 40 DGAB Cc1ccn(-c2ccc(NC(=O)c3cccc(N(C)C)c3)cc2)n1 28219934 GCNHKKIBOOFHON-UHFFFAOYSA-N 320.396 3.499 0 40 DGAB COc1ccc(CCNC(=O)N[C@@H](C)Cc2cccs2)cc1 28412104 MERQTAUHEPZPGP-ZDUSSCGKSA-N 318.442 3.230 0 40 DGAB Cc1nn(C)c(C)c1CNC(=O)c1cc(Cl)ccc1Cl 32610161 WLSYBJPZFNENER-UHFFFAOYSA-N 312.200 3.274 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)[C@@H]3CCC(=O)N3)cc2)cc1 32750138 RJSYQSAKVPGYCM-INIZCTEOSA-N 310.353 3.004 0 40 DGAB Cc1cc2occ(CC(=O)O[C@H]3CCOC3=O)c2cc1C(C)C 32957452 IQCNHJOBXFEPOC-HNNXBMFYSA-N 316.353 3.266 0 40 DGAB Cc1ccccc1NCCC(=O)NCCc1ccc(F)cc1 40159516 JHURORWZDGSAJJ-UHFFFAOYSA-N 300.377 3.295 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)Nc1ccccc1C(C)C 42646474 RUDWLSZXRCXBEW-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB CC(=O)c1cccc(NC(=O)N(C)Cc2c(C)noc2C)c1 43237200 PJDAFWIBCGGFJK-UHFFFAOYSA-N 301.346 3.158 0 40 DGAB COc1ccc(Cl)cc1CN1CCC[C@H](CCC(=O)O)C1 43585237 JWOYHSIHSFVMNQ-GFCCVEGCSA-N 311.809 3.425 0 40 DGAB Cc1oc(-c2ccccc2)nc1CC(=O)NCCCOC(C)C 44907065 KPQUNNSVNPWIBK-UHFFFAOYSA-N 316.401 3.124 0 40 DGAB CC(C)(C)C(=O)NCC(=O)N1CCC[C@@H]1c1ccc(Cl)cc1 45152917 JMQNGVKKIXKNFK-CQSZACIVSA-N 322.836 3.166 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 48342431 SVFNLLXCKXWNCP-ZDUSSCGKSA-N 302.418 3.021 0 40 DGAB CCCNC(=O)c1cccc(CNCc2cc(F)ccc2F)c1 48715043 UHZQMLHWSJXFLU-UHFFFAOYSA-N 318.367 3.394 0 40 DGAB Cc1c(C(=O)Nc2nc3c(s2)CCC3)cnn1-c1ccccc1 53694115 KPSVLBYEXQQINS-UHFFFAOYSA-N 324.409 3.378 0 40 DGAB Cc1ccccc1C[C@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 56084343 WKODHARYJDOCAZ-AWEZNQCLSA-N 320.392 3.198 0 40 DGAB C[C@@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1 58161078 KRCQTGZVZPLBRQ-VXGBXAGGSA-N 324.877 3.174 0 40 DGAB Cc1ccc(NC(=O)C[S@@](=O)Cc2cccc(F)c2)cc1 66301717 GIARRLBSMIZUSC-OAQYLSRUSA-N 305.374 3.022 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CN[C@@H](C)[C@@H](C)n1cccn1 69368386 DYEPKCCEIDOMOL-NWDGAFQWSA-N 309.845 3.133 0 40 DGAB CC(C)[C@H](C)N(C(=O)Cc1cc2ccccc2[nH]c1=O)C1CC1 71844018 XJCIFTXRDOJYLN-ZDUSSCGKSA-N 312.413 3.106 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N(C)[C@H](C)c2sc(C)nc2C)n1 71883118 SYLNSYOVVIBMTN-OLZOCXBDSA-N 320.462 3.354 0 40 DGAB C[C@@H](Sc1nnc(C2CC2)s1)C(=O)N1CCCCCC1 74794944 CLJNPVDURAVQMQ-SNVBAGLBSA-N 311.476 3.299 0 40 DGAB CCc1ncn(C)c1NC(=O)c1cc(C(C)C)n(C(C)(C)C)n1 78870139 NZOPZKCEDCEFDV-UHFFFAOYSA-N 317.437 3.310 0 40 DGAB COc1ccc(C[S@@](=O)C[C@H]2CCCCO2)c(Cl)c1 83954721 XXPBTWHKJRNMMW-YJYMSZOUSA-N 302.823 3.166 0 40 DGAB Cc1noc(C)c1CCCNC(=O)NC[C@@H](C)c1ccsc1 84891191 MJZHYXBGHPVHLA-LLVKDONJSA-N 321.446 3.388 0 40 DGAB O=C(Nc1ccccc1)[C@H](Cc1ccccc1)NCc1cc[nH]c1 86253434 XLHMQOPQWFODEK-IBGZPJMESA-N 319.408 3.354 0 40 DGAB OC[C@@H](NCc1cc(F)ccc1Br)c1ccco1 90188013 FXIVRKHHVFTILK-GFCCVEGCSA-N 314.154 3.004 0 40 DGAB Clc1ccc(CNCCCCn2cnnc2)c2ncccc12 95415524 ROILSPKMPAJQDL-UHFFFAOYSA-N 315.808 3.050 0 40 DGAB Cc1noc(C)c1[C@@H](C)CNC(=O)C(=O)c1ccc(Cl)cc1 95434510 XGKHEOWQIYHPHJ-VIFPVBQESA-N 320.776 3.047 0 40 DGAB CCc1nnc(COC(=O)c2cc(SC)ccc2Cl)o1 95946908 VJWNCZYTVWIQHL-UHFFFAOYSA-N 312.778 3.364 0 40 DGAB COCC(C)(C)NC(=O)c1cccc(Oc2ccncc2)c1 95958864 UYIAPVOXIYSXQW-UHFFFAOYSA-N 300.358 3.029 0 40 DGAB O=C(N[C@@H]1CCC[C@H]1O)c1cc(-c2ccccn2)ccc1Cl 95974552 GHCSPGUAZJTTQT-HZPDHXFCSA-N 316.788 3.045 0 40 DGAB O=C(Nc1cccnc1OCC(F)F)c1cccc2cc[nH]c12 95980285 SFJINRFESQBEBP-UHFFFAOYSA-N 317.295 3.459 0 40 DGAB Cc1nccn1Cc1ccc(N[C@H]2C[C@H](C)N(C3CC3)C2)cc1 95980660 LUPJVCDTCUGHGJ-KSSFIOAISA-N 310.445 3.277 0 40 DGAB CCCCN(CC)C(=O)c1ccn(-c2ccc3ccccn23)n1 96038042 NWMOQQPUDQNCPV-UHFFFAOYSA-N 310.401 3.387 0 40 DGAB O=C(C1CC1)N1CCC(F)(F)[C@@]2(CCN(c3ccccc3)C2)C1 96239538 TWYLKEVRHYGLPY-QGZVFWFLSA-N 320.383 3.161 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@H](C)Sc2cccs2)c1 96409108 FFEFOOCGHMITEU-JTQLQIEISA-N 320.439 3.227 0 40 DGAB COC(=O)c1ccc(CN(C)Cc2nc3c(s2)CCCC3)o1 96447128 UXURIKGRCCDRST-UHFFFAOYSA-N 320.414 3.034 0 40 DGAB Cc1nc(CSc2nnc(-c3cc4ccccc4o3)o2)no1 96452659 BSCDLUZDVKDOJK-UHFFFAOYSA-N 314.326 3.467 0 40 DGAB c1csc(-c2nnc(NCc3ccc4c(c3)OCCO4)o2)c1 97114544 ZCVOZFCIZPAVEC-UHFFFAOYSA-N 315.354 3.181 0 40 DGAB Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2)cc1 100989771 PLIUHPWQLTYXTG-KRWDZBQOSA-N 303.369 3.346 0 40 DGAB CC(C)=C1[C@@H]2CC[C@@H]1[C@@H](C(=O)N1CCCCCC1)[C@H]2C(=O)O 102329368 HUDUFLMCJZOISQ-UGQVUOCMSA-N 305.418 3.082 0 40 DGAB C[C@H]1CN(Cc2ccccn2)CC[C@H]1NC(=O)Nc1ccccc1 106854477 POWYUWMKRVMWIP-MAUKXSAKSA-N 324.428 3.114 0 40 DGAB Cc1cnc(S[C@@H](C)c2ccc(S(C)(=O)=O)cc2)nc1 189836692 ULHQPVIXBAACDH-NSHDSACASA-N 308.428 3.042 0 40 DGAB CCOC(=O)[C@@H](CN)[C@@]1(N(CC)CC)C[C@@H]2CC[C@@]1(C)C2(C)C 216351897 OCKDPBVSIVVMTJ-QXGSTGNESA-N 324.509 3.051 0 40 DGAB CSc1nnc(NC(=O)CCc2ccc(C)c(C)c2)s1 223927593 PXPCOWKXYKOVKK-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)N[C@H](C)CC 225090921 SGIOUKOTNBGMRG-HUUCEWRRSA-N 304.434 3.037 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)N[C@@H](C)CC 225130792 SXGOJHUVYFPSFF-LSDHHAIUSA-N 304.434 3.037 0 40 DGAB CCS(=O)(=O)Nc1ccc(-c2nc3cc(C)ccc3[nH]2)cc1 225269705 QUTADKOQQVBFAC-UHFFFAOYSA-N 315.398 3.300 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@H](C)C(=O)NC(C)C 225514960 HCRYRPQCYQXVCT-OAHLLOKOSA-N 304.434 3.037 0 40 DGAB COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@H]1c1ccccc1 242688263 VMLLEPXLBJUKPD-GUYCJALGSA-N 305.374 3.001 0 40 DGAB O=C(CC1CCCC1)N[C@H]1CC[C@H](Oc2ncc(F)cn2)CC1 252537978 MMIAXNAYPYJNTQ-SHTZXODSSA-N 321.396 3.002 0 40 DGAB Cc1ccnc([C@H]2CCN(Cc3cn(C)c4ccc(F)cc34)C2)n1 257311976 ULWASCXAOXPXQG-AWEZNQCLSA-N 324.403 3.405 0 40 DGAB Cc1ccc(-c2nnc(CN(C)C(=O)/C=C/c3ccco3)o2)cc1 408714711 VZGZUCLRDVGQHR-MDZDMXLPSA-N 323.352 3.310 0 40 DGAB COC(=O)c1ccc(C(=O)CCC(=O)c2cccs2)cc1 409052547 INNHMADVOWVTAF-UHFFFAOYSA-N 302.351 3.381 0 40 DGAB O=C(NC[C@@H]1CCC[C@H]1c1ccccc1)c1csc(O)n1 562560711 LSKJDPVLYLERTE-STQMWFEESA-N 302.399 3.162 0 40 DGAB Cc1cccnc1OC1CCN(Cc2nc3ccccc3[nH]2)CC1 562702847 LXPXCTVJCMZDCK-UHFFFAOYSA-N 322.412 3.310 0 40 DGAB CC(C)(C)c1noc([C@@H](c2ccccc2)N2CCCCC2=O)n1 585133342 FXYNYJCKJPTICO-OAHLLOKOSA-N 313.401 3.469 0 40 DGAB CC(C)(C)c1nc2ccccc2n1C1CN(C[C@@H]2CCOC2)C1 1848735255 CNJQYQSLFGQAGH-AWEZNQCLSA-N 313.445 3.227 0 40 DGAB O=C(O)COc1ccc(C(=O)Nc2ccc(Cl)cc2)cc1 65149 KMVSESNYBBITEN-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB Cc1ccccc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)OC(C)C 136051 PRMUSLCYUHKRLC-HUUCEWRRSA-N 301.386 3.468 0 40 DGAB CC[n+]1c(C)sc2cc(I)ccc21 370076 VINQXBVSNANRJR-UHFFFAOYSA-N 304.176 3.122 0 40 DGAB CC[C@@H](C)NC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 780436 JIUPTVAHQYZZLP-GFCCVEGCSA-N 322.836 3.107 0 40 DGAB CCCNC(=O)N[C@@]1(C(F)(F)F)Oc2ccc(Cl)cc2O1 2649237 UMVFHMDXMXKKSU-LBPRGKRZSA-N 324.686 3.037 0 40 DGAB CCc1ccc(Nc2nnc(S[C@H]3CCOC3=O)s2)cc1 3461443 SPYVAJANGRMILJ-NSHDSACASA-N 321.427 3.252 0 40 DGAB Cc1ccc(C)c(Cn2c(S(C)(=O)=O)nc3ccccc32)c1 4304796 YXQXOFSUPSHAJB-UHFFFAOYSA-N 314.410 3.105 0 40 DGAB Cc1ccc(C)c(CNC(=O)c2cc3ccccc3oc2=O)c1 4539624 KQOZJFARDDQJTA-UHFFFAOYSA-N 307.349 3.340 0 40 DGAB COc1ccc(Cl)cc1-n1c(S)nnc1-c1ccco1 4709292 SYEZTFAAGFNVLL-UHFFFAOYSA-N 307.762 3.478 0 40 DGAB COc1ccccc1C(=O)Nc1nonc1-c1ccc(F)cc1 5485776 VWRLEVXYEDEBFP-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB CCCCn1nc(NC(C)=O)c2cc3cc(OC)ccc3nc21 5556408 FDXZKMIQEXLKRD-UHFFFAOYSA-N 312.373 3.352 0 40 DGAB COc1cc(C)c(NC(=O)COc2ccc(F)cc2)cc1OC 6258990 KOSCRSFWMLSTJP-UHFFFAOYSA-N 319.332 3.169 0 40 DGAB CCc1cc2c(CN3CCCC[C@H]3C)cc(=O)oc2cc1O 6610450 NYQUFHHQFHQQFY-GFCCVEGCSA-N 301.386 3.435 0 40 DGAB C[C@H](CCCNC(=O)c1ccccc1)CNC(=O)c1ccccc1 6795408 QMBQJKNEMAWLKA-MRXNPFEDSA-N 324.424 3.263 0 40 DGAB CCN(Cc1cccc(F)c1)Cc1nc2ccccc2c(=O)[nH]1 8729023 RXPBXZMREKNKKP-UHFFFAOYSA-N 311.360 3.084 0 40 DGAB O=C(O)[C@@H]1CCCCN1C(=O)c1ccc(Cl)cc1Cl 12020862 UEKJTQQIUHSLQT-NSHDSACASA-N 302.157 3.073 0 40 DGAB Cc1nn(CC(=O)O)c2nc(-c3ccco3)cc(C(F)F)c12 12395298 OZYBAKLSZHDYPR-UHFFFAOYSA-N 307.256 3.022 0 40 DGAB CCN(CC)CCSc1nnc2c(n1)[nH]c1ccc(F)cc12 13628821 NUGSNJPKJCWGKC-UHFFFAOYSA-N 319.409 3.079 0 40 DGAB O=C(Cn1c(-c2nnco2)cc2ccccc21)NC1CCCCC1 13961918 IMSUTLDBDPJYCH-UHFFFAOYSA-N 324.384 3.140 0 40 DGAB COc1ccccc1OCCNC(=O)c1ccc(Cl)cc1 18075349 DQBLAVJYSBGDEM-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB CC(C)(C(=O)Nc1ccc(-c2cccc(F)c2)cc1)n1cncn1 19080944 IBWDKNDZILXNHQ-UHFFFAOYSA-N 324.359 3.458 0 40 DGAB O[C@H](CN1CCC(Oc2ccccc2F)CC1)c1cccs1 19350152 XJJRJFTXNRSWDR-OAHLLOKOSA-N 321.417 3.464 0 40 DGAB CC(C)(C)c1ccccc1OCCCCCN1CCNCC1 19370736 PNIGQLHRNLKUER-UHFFFAOYSA-N 304.478 3.438 0 40 DGAB O=C(NCc1ccccn1)c1csc(-c2cccs2)n1 21895898 CTAVPYBZMYIEBN-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB Cn1c(=O)n(Cc2cccc(C(F)(F)F)c2)c2ccccc21 22322482 NDRWJUDYIBCMGZ-UHFFFAOYSA-N 306.287 3.407 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCO[C@H](c2ccccc2)C1 22329693 DGOAVTIYMQGBDB-INIZCTEOSA-N 303.308 3.179 0 40 DGAB CN(Cc1cccc(Cl)c1)[C@@H](C(N)=O)c1ccc(F)cc1 24529166 DKNAVTKGSAJGAI-OAHLLOKOSA-N 306.768 3.138 0 40 DGAB Cn1ccnc1[C@@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(F)c1 29082514 XZKZIAHVDQWYSV-DYVFJYSZSA-N 313.376 3.121 0 40 DGAB C[C@@H](NC(=O)CN1CCCc2c(F)cc(F)cc21)c1ccco1 29920381 JOSARFMHGKAQMR-LLVKDONJSA-N 320.339 3.188 0 40 DGAB CC(C)c1nc(CC(=O)Nc2nnc(C(C)C)s2)cs1 32626042 IDPUHSDZOANONB-UHFFFAOYSA-N 310.448 3.423 0 40 DGAB CC(=O)Nc1ccc(OC(=O)c2cn(C)c3ccccc23)cc1 32739206 XBKSJOXYSPAGFV-UHFFFAOYSA-N 308.337 3.356 0 40 DGAB O[C@H](CSc1nnc(C2CC2)n1C1CC1)c1ccc(F)cc1 32900848 CDLNFDGBKOZTEZ-CQSZACIVSA-N 319.405 3.455 0 40 DGAB CC(C)Cc1nnc(NC(=O)CCOc2ccccc2)s1 32976293 AMKXWFJYHPTRTF-UHFFFAOYSA-N 305.403 3.144 0 40 DGAB CCCN1CCN(C(=O)C2(c3ccccc3)CCCC2)CC1 33696075 QREVGWMZAQJXJQ-UHFFFAOYSA-N 300.446 3.053 0 40 DGAB Cc1ccccc1COc1cccn2c(CC(=O)O)c(C)nc12 36222935 RIKYNPYZWQOSKF-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB CC[C@H](C)c1nnc(NC(=O)c2ccc(OC)c(OC)c2)s1 39404086 MTUGXOBHWPROJX-VIFPVBQESA-N 321.402 3.321 0 40 DGAB Clc1cc(Br)ccc1OC[C@H]1CCCNC1 39953918 SOTCZGOZEGZYOA-VIFPVBQESA-N 304.615 3.481 0 40 DGAB Cc1cc(C(=O)N[C@H](C)Cc2ccc(Br)cc2)on1 40108483 GREWOQJSCRTXOH-SECBINFHSA-N 323.190 3.107 0 40 DGAB CC(C)C(=O)Nc1nc(CC(=O)OC2CCCCC2)cs1 40549682 BCYYAOYTLUZELA-UHFFFAOYSA-N 310.419 3.156 0 40 DGAB CC[C@@H](C)NC(=O)CCc1nc(-c2ccc(Cl)cc2)no1 41184965 GEUBIBWAGFHAPK-SNVBAGLBSA-N 307.781 3.237 0 40 DGAB COc1ccc(OC)c([C@@H](C)NCc2cccc3c2OCO3)c1 47698171 ZBKAPDNCKUVZNX-GFCCVEGCSA-N 315.369 3.283 0 40 DGAB CN(C)C(=O)c1ccc(Cl)cc1NC(=O)N1CCCCCC1 56653809 AVYYAORDTQDKIX-UHFFFAOYSA-N 323.824 3.450 0 40 DGAB Cc1cc(C(=O)N2CCC(Oc3ccc(C)c(C)c3)CC2)[nH]n1 56906979 AMSCAJBGBXNXHE-UHFFFAOYSA-N 313.401 3.019 0 40 DGAB COc1ccc(N(C)C(=O)Cc2c(C)[nH]c3ccc(C)cc23)cn1 58270253 VARFTPVAAVHZMM-UHFFFAOYSA-N 323.396 3.394 0 40 DGAB Cc1noc([C@@H](C)Sc2nnc(Cc3cccc(F)c3)o2)n1 67753935 ZKHSSYLCMRSZPX-MRVPVSSYSA-N 320.349 3.344 0 40 DGAB CCNc1nnc(SCc2noc(-c3ccccc3)n2)s1 69664229 HXFSNPVYTYNIJQ-UHFFFAOYSA-N 319.415 3.312 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CCC[C@@H](n4ccnc4)C3)cc2c1C 69843589 KKWDDBIZMJMIDR-MRXNPFEDSA-N 322.412 3.459 0 40 DGAB Cc1ccc2cc(C(=O)N3CCCC[C@H]3Cn3cccn3)[nH]c2c1 69971816 HFQFISSOANOQOA-INIZCTEOSA-N 322.412 3.368 0 40 DGAB CC(C)C(=O)N[C@H](C)c1ccc(NC(=O)c2ccncc2)cc1 70871880 KXUQBHGSTDZYCU-CYBMUJFWSA-N 311.385 3.167 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(C[C@@H]1CCOC1)C1CC1 71185144 SCWBWGQUAHEIPQ-JCURWCKSSA-N 319.832 3.471 0 40 DGAB Cn1cc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2C2CCCCC2)cn1 71841419 DGXNXMZPBHMHIZ-GVDBMIGSSA-N 301.434 3.095 0 40 DGAB Cc1cc(N2CCC(C(N)=O)CC2)c2cc(Cl)cc(C)c2n1 71908966 GMVBCKVPJIHELT-UHFFFAOYSA-N 317.820 3.207 0 40 DGAB Cc1nc(I)ccc1[C@H](N)c1ccccc1 72219687 PPFQYBZIWUJUNX-CYBMUJFWSA-N 324.165 3.043 0 40 DGAB N[C@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1ccccc1 72227497 SHUHHFLSHVCXGV-KGLIPLIRSA-N 306.287 3.121 0 40 DGAB CC(C)(O)CNC(=O)c1ccc(-c2ccc(F)cc2)cc1F 72304481 KETWDZIAQHPBAF-UHFFFAOYSA-N 305.324 3.133 0 40 DGAB Cc1cc(=O)c(C(=O)N2CC[C@@H](C)Sc3ccccc32)c[nH]1 72847991 JXBOJSIGRXTTRQ-GFCCVEGCSA-N 314.410 3.214 0 40 DGAB CC(C)COC[C@@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 73268742 YDOUPWHYTPUFKM-SNVBAGLBSA-N 308.403 3.281 0 40 DGAB COc1cccc(C(=O)N2CCN(c3ccccc3)C[C@H]2C)c1 74755835 SBGWRCPHIQVMBT-OAHLLOKOSA-N 310.397 3.046 0 40 DGAB CN(Cc1nccs1)C(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1 74847017 HZHBQDWCAUXQQI-UWVGGRQHSA-N 321.368 3.406 0 40 DGAB C[C@H](CCO)CNC(=O)Nc1ccc(C(F)(F)F)cc1Cl 76069980 YLVZGTHUZFMJAJ-MRVPVSSYSA-N 324.730 3.499 0 40 DGAB COCCNC(=O)N(Cc1ccccc1)[C@@H](C)c1ccccn1 78613769 PFYQTCSCPNWUSZ-HNNXBMFYSA-N 313.401 3.001 0 40 DGAB Cc1cc([C@@H]2CCCN(C(=O)Cc3ccc4c(c3)CCC4)C2)n[nH]1 78902060 JIUULTZLEPRMFM-GOSISDBHSA-N 323.440 3.156 0 40 DGAB Cc1ccc([C@@H]2C[C@H](C)CCN2C(=O)NCc2nccn2C)o1 78952679 KHMQLNQRQMRSGF-OCCSQVGLSA-N 316.405 3.004 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)NCc1cnc(C)s1 79018200 UHOCLZNBKIEAQX-CQSZACIVSA-N 304.415 3.234 0 40 DGAB COCCn1nc(C)c(NC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1C 79659789 MMJKTOBFLDWIAB-LSDHHAIUSA-N 319.449 3.323 0 40 DGAB COc1ccccc1COc1ccc(C(C)=O)cc1C(=O)O 85397469 NJBTYNYFHMXUTO-UHFFFAOYSA-N 300.310 3.175 0 40 DGAB O=C1[C@@H]2CCCC[C@H]2C(=O)N1c1ccc(Br)cc1 90450606 NNHSWFBCLSVZED-VXGBXAGGSA-N 308.175 3.129 0 40 DGAB O=C(c1ccccc1)[C@@H](c1ccccc1)n1cc(F)ccc1=O 90557945 VLLOJAUCOUYQAT-GOSISDBHSA-N 307.324 3.460 0 40 DGAB Cc1ccc(C(=O)OCC2CN(C(=O)OC(C)(C)C)C2)cc1F 95942818 LHXRZKFAHKVSOB-UHFFFAOYSA-N 323.364 3.158 0 40 DGAB CCCC(=O)N(CC(=O)N1CCCCC1)c1ccc(C)cc1 95957273 VDOGDNZKRSNJMF-UHFFFAOYSA-N 302.418 3.141 0 40 DGAB CCc1ncnc(N2CC[C@H](c3ccc(OC)cc3)C2)c1F 95981544 VTQHINUCCPJGKZ-ZDUSSCGKSA-N 301.365 3.181 0 40 DGAB Cc1c(C(=O)N[C@@H]2CCCOc3cc(Cl)ccc32)cnn1C 95987137 KKWQYRGMVCIFCE-CQSZACIVSA-N 319.792 3.026 0 40 DGAB CCc1cc2c(=O)[nH]c(CCOc3ccccc3)nc2s1 96008336 JWOHQJPKTVZSOT-UHFFFAOYSA-N 300.383 3.169 0 40 DGAB Brc1cccc(-n2cnc(Br)c2)c1 96135443 RZMUVAPPGOFGHR-UHFFFAOYSA-N 301.969 3.397 0 40 DGAB COc1ccsc1C(=O)N[C@H](c1nc(C)cs1)C1CC1 96425431 SVPHRDNHBJWOOV-NSHDSACASA-N 308.428 3.403 0 40 DGAB C[C@@H](CCc1cccn1C)NC(=O)[C@@H]1CCOc2ccccc21 96425739 NULBMSZQKNYOPI-WMLDXEAASA-N 312.413 3.029 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)N1C[C@H]2CC=CC[C@H]2C1 96433800 OVADCFMNSKCNHT-OKILXGFUSA-N 314.385 3.278 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1c1cnnc(O)c1Cl 96452668 FTYVWVWOGSQJND-LBPRGKRZSA-N 319.792 3.056 0 40 DGAB Cc1c(C2CC2)n[nH]c1NC(=O)[C@@H](C)Sc1ccccn1 96461101 GHXCQBDJDYVNHR-SNVBAGLBSA-N 302.403 3.110 0 40 DGAB CC(C)[C@H](NC(=O)[C@H](C)n1cncn1)c1ccc(Cl)cc1F 97081577 JYRNMHMUKVVODP-HZMBPMFUSA-N 324.787 3.145 0 40 DGAB Cc1cccc(Oc2ccc(NC(=O)N3CC[C@H](O)C3)cc2)c1 97085183 LNZUSGWXSJWIHA-HNNXBMFYSA-N 312.369 3.386 0 40 DGAB C[C@H](CN1CCC(n2cncn2)CC1)c1cccc(Cl)c1 97103863 KNOCYDKTFAMGOB-CYBMUJFWSA-N 304.825 3.372 0 40 DGAB CC[C@@H]1C[C@H](C(=O)NCc2cc(Cl)ccc2OC)CCO1 97235874 DSRRZPUOKDNUKO-BXUZGUMPSA-N 311.809 3.170 0 40 DGAB Cn1c(=O)c(C2=NO[C@@H](c3ccccc3)C2)c(O)c2ccccc21 100362369 GOVXCZKIXZOFLV-MRXNPFEDSA-N 320.348 3.110 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)C(=O)C2(Br)Br 100486659 OFAQZCPBQBALHS-IMTBSYHQSA-N 310.029 3.498 0 40 DGAB C[C@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)cn1 104897635 AHTMGQOZTDQHKR-MRBYEJRBSA-N 322.792 3.041 0 40 DGAB O=C(c1cc[nH]n1)N(Cc1cccc(-c2cccnc2)c1)C1CC1 163643215 GLOKISIHMOSFOG-UHFFFAOYSA-N 318.380 3.277 0 40 DGAB C[C@H]1CC[C@@H](NC(=O)N(C)CC2(CO)CC2)c2ccccc21 187334640 KHINULWBJBPDGU-XJKSGUPXSA-N 302.418 3.039 0 40 DGAB COc1ccc(C[S@](=O)CC[C@H]2CCCO2)c(Cl)c1 195577202 LLYOKNYRSCNVDC-CWTRNNRKSA-N 302.823 3.166 0 40 DGAB CCSc1ccccc1C(=O)NC[C@](C)(O)Cc1ccco1 206614733 NXDSWYVYNOFCHX-QGZVFWFLSA-N 319.426 3.115 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)NCCc1ccc(F)cc1 224448123 KVWFWONUZIVEPK-KRWDZBQOSA-N 319.351 3.481 0 40 DGAB COc1ccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)cc1 225059385 DVGZFSJHXWOSCZ-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COc1ccc(C)cc1C[C@@H](Oc1ccc(C)cc1)C(=O)O 225117241 OFDDTYVGNNFVGD-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CC[C@@H](C)NC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 225273638 TZBCEXLLLYXLAE-GFCCVEGCSA-N 305.447 3.207 0 40 DGAB COc1ccc(NC(=S)NC2CCCC2)c2cccnc12 225278648 NRXRIEPKQPSGFH-UHFFFAOYSA-N 301.415 3.472 0 40 DGAB CCOC(=O)c1cc(N)ccc1Nc1cc(OC)ccc1OC 225481297 MSONXAPFZIGJGW-UHFFFAOYSA-N 316.357 3.206 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@H](CC)C(=O)N[C@H](C)CC 225584700 PBTXTNJJZLFNLG-NVXWUHKLSA-N 318.461 3.427 0 40 DGAB COC(=O)[C@H]1CC[C@H](C(=O)Nc2cccc(C)c2C(C)=O)CC1 252484752 GGNODFUNTSLVHE-HDJSIYSDSA-N 317.385 3.116 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257208054 BKMKWPGORRQQOZ-CYBMUJFWSA-N 303.431 3.118 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCC(Cc2ccncc2)CC1 257332573 XXXMVMQVDKGVEC-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB CCOC(=O)c1cc(-c2ccc(F)c(Br)c2)on1 260279055 OWZDUCFUWZVPSR-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB COc1cccc(CNC(=S)c2ccc(OC)cc2OC)c1 408576749 QWZZIUDCLZFOAT-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB CC[C@@H]1CCN1C(=O)c1cnn(-c2ccc(F)cc2F)c1C 558163128 SWOVWZDTPRMGAC-GFCCVEGCSA-N 305.328 3.083 0 40 DGAB O=S(=O)(c1cccs1)N1CCc2sc(Cl)cc2C1 572996635 HFFDBZDKPPHLHS-UHFFFAOYSA-N 319.860 3.210 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1cccc(-n2cccn2)c1 575620863 RFXWOWGKWGOOKQ-UHFFFAOYSA-N 318.380 3.075 0 40 DGAB c1ccc(-n2nncc2CSc2ccc3[nH]ncc3c2)cc1 1559424373 GVGTYSOOOTXEDR-UHFFFAOYSA-N 307.382 3.436 0 40 DGAB Cc1cnc(N(C)[C@H]2CCCN(c3nc4ccccc4o3)C2)nc1 1889151734 MQJGVNXLKOALEU-AWEZNQCLSA-N 323.400 3.031 0 40 DGAB O=C(c1ccc(F)cc1)C1CCN(CCc2cccnc2)CC1 11268 SHGJXXQZQKXPBB-UHFFFAOYSA-N 312.388 3.358 0 40 DGAB CC1(C)NCC[C@]12C(=O)N(Cc1ccccc1)c1ccccc12 103652 DDUFVSMGVTZHAR-FQEVSTJZSA-N 306.409 3.243 0 40 DGAB biogenic C[C@@H]1CCC[C@H](N2CCN(C(=O)c3cccc(F)c3)CC2)C1 239741 LJHBSECKCFHWQS-PBHICJAKSA-N 304.409 3.162 0 40 DGAB CCN(CCO)Cc1csc2c(F)c(F)c(F)c(F)c12 339123 GWYPRZULZBWXGS-UHFFFAOYSA-N 307.312 3.272 0 40 DGAB CC(=O)O[C@@H](COCc1ccccc1)Cn1cnc2ccccc21 787261 DYLRGPXVJPEDGV-QGZVFWFLSA-N 324.380 3.185 0 40 DGAB COc1cccc([C@H]2C[C@](C)(O)Oc3cc4c(cc32)OCO4)c1 1607717 OBEWQTCNLDQARO-RDTXWAMCSA-N 314.337 3.047 0 40 DGAB Cc1ccc(C)c(NC(=O)COc2ncnc3ccccc23)c1 3271055 IBNUACIMMQXZEE-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB N=C1S/C(=C\c2ccco2)C(=O)N1c1ccc2c(c1)OCO2 4658869 DWHKQRPRTKFGKY-HPAZJXPTSA-N 314.322 3.064 0 40 DGAB Cc1cc(C(=O)O)c(CSCc2cc(C(=O)O)c(C)o2)o1 4892763 IEWKDARHGVRUJJ-UHFFFAOYSA-N 310.327 3.319 0 40 DGAB C[C@H](OC(=O)c1cccc(O)c1)C(=O)c1ccc(Cl)cc1 5076652 SCRWXNFOHZAJFK-JTQLQIEISA-N 304.729 3.474 0 40 DGAB COc1cccc2cc(C(=O)Nc3ccccc3F)c(=N)oc12 5125377 IRVIDIVVLARONY-UHFFFAOYSA-N 312.300 3.312 0 40 DGAB O=C(C[S@@](=O)c1ccc(F)cc1)Nc1ccccc1Cl 5278069 WNONXNGNEVQUBX-FQEVSTJZSA-N 311.765 3.225 0 40 DGAB O=Cc1cn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c2ccccc12 5391064 KRCHRYUHJNJWEA-UHFFFAOYSA-N 311.253 3.259 0 40 DGAB COc1ccc(C(=O)Nc2cccc(C)n2)cc1Br 5589880 BNKACHIINGONEV-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB Cc1ccc(NC(=O)c2ccc(N3CCCC3=O)cc2)c(O)c1 6454182 OLOVBYIGAYFCFR-UHFFFAOYSA-N 310.353 3.080 0 40 DGAB COc1ccccc1CN(C)CC(=O)Nc1ccc(C)c(C)c1 6590469 AUHSOWLUEOYRRA-UHFFFAOYSA-N 312.413 3.383 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c(C)c1 7218069 RYTCDEULZTULIY-ZDUSSCGKSA-N 307.390 3.482 0 40 DGAB CCCc1nnc(CSc2nnc(Cc3ccccc3)[nH]2)o1 7604673 BWKAOCRHNIKBCN-UHFFFAOYSA-N 315.402 3.023 0 40 DGAB COc1ccccc1NCC(=O)Nc1cc(Cl)ccc1OC 7953438 SPWFXOBITACALD-UHFFFAOYSA-N 320.776 3.408 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1Cc1coc(-c2cccs2)n1 8040208 WWXPIFYLHGHYLG-UHFFFAOYSA-N 316.382 3.222 0 40 DGAB O=C(c1cc(-c2csc(-c3cccnc3)n2)c[nH]1)N1CCCC1 8344089 XOJSNIDWHVTRRX-UHFFFAOYSA-N 324.409 3.436 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)c(C)c1C 8714823 OSJBXRZKWOETGO-SMDDNHRTSA-N 311.447 3.169 0 40 DGAB C[C@@H](OC(=O)c1ccc2nccnc2c1)C(=O)c1ccc(F)cc1 9267357 BKXPGJHKRUZIRO-LLVKDONJSA-N 324.311 3.197 0 40 DGAB O=C(OCc1coc(-c2ccccc2)n1)c1ccc(O)cc1O 9536546 SIAWHOBVEPTGGW-UHFFFAOYSA-N 311.293 3.110 0 40 DGAB Oc1cc(CSc2ccccn2)nn1-c1ccc(F)cc1 9937371 IBUKHMFJNQOSPJ-UHFFFAOYSA-N 301.346 3.404 0 40 DGAB O=C(O)c1ccc(NC(=O)c2ccc(CN3CCCC3)cc2)cc1 10336588 FCFXWKORTREXEJ-UHFFFAOYSA-N 324.380 3.233 0 40 DGAB C[C@H]1CN(Cc2csc(Nc3ccccc3)n2)C[C@@H](C)O1 12650674 ALTOSZLWPBXEHC-BETUJISGSA-N 303.431 3.496 0 40 DGAB Cc1nc(C2(NC(=O)/C=C/c3ccccc3)CCCCC2)no1 12749495 BPEQMIZYHXOQLQ-ZHACJKMWSA-N 311.385 3.367 0 40 DGAB O=C(OC[C@H]1CCCN2CCCC[C@@H]12)c1ccc(F)c(F)c1 13362189 CANUBXZJGLXAEB-CJNGLKHVSA-N 309.356 3.386 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)[C@H]1CC=CCC1 15825895 LFUBCTIOERIMNO-ZBFHGGJFSA-N 310.401 3.143 0 40 DGAB CCc1ccc(N2C(=O)N(C)c3ccccc3S2(=O)=O)cc1 15826897 HYLDBHHCDSXUHD-UHFFFAOYSA-N 316.382 3.014 0 40 DGAB CCOc1ccc(CC)cc1S(=O)(=O)NC1CCCCC1 16780590 VWEONIDNXHTEIS-UHFFFAOYSA-N 311.447 3.259 0 40 DGAB COc1c(Cl)cc(C(=O)O)cc1NC(=O)c1ccc(F)cc1 20138164 LQZKPMCDDLIMAO-UHFFFAOYSA-N 323.707 3.438 0 40 DGAB COc1cccc(NC(=O)[C@H](C)Oc2cccc(OC)c2)c1 20495006 ALUZBVLEFAIWSA-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)N(C(C)C)C(C)C 22259063 ULQNNYILBIAENJ-UHFFFAOYSA-N 305.827 3.156 0 40 DGAB COc1cc(CN[C@H](C)c2ccc(C)o2)cc(OC)c1OC 22793882 FFLHPLKQKUCYNB-GFCCVEGCSA-N 305.374 3.465 0 40 DGAB Cc1ccc(C(=O)N[C@H](C)c2cnn(C)c2C)cc1-n1cccc1 25002766 UVLHVJDHWAEZDU-CQSZACIVSA-N 322.412 3.319 0 40 DGAB NC(=O)[C@@H](Nc1ccc(Br)cc1)c1ccc(F)cc1 37855708 YVCDRMXIRVSYCA-ZDUSSCGKSA-N 323.165 3.227 0 40 DGAB O=C(NC1CCCCC1)[C@H]1CCCN(Cc2ccccc2)C1 38832533 PSJULGPJSWSTAZ-KRWDZBQOSA-N 300.446 3.348 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)NC[C@H](c1ccco1)N(C)C 40525021 RRJIIJAIHRORPD-GFCCVEGCSA-N 321.446 3.201 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)c(C)c1 40525362 FZYYVVPBKZSKNH-INIZCTEOSA-N 302.349 3.298 0 40 DGAB CS(=O)(=O)CCSc1nc2cc(Cl)ccc2s1 47824266 XAFYTQVFIBRPLW-UHFFFAOYSA-N 307.849 3.086 0 40 DGAB c1ccc2sc(Nc3cnn(C[C@H]4CCCO4)c3)nc2c1 52428866 NLWNWGPYDRNTPK-GFCCVEGCSA-N 300.387 3.415 0 40 DGAB CCCN(C(=O)[C@H]1COCCO1)[C@H](C)c1cc2ccccc2o1 53371505 MZYHIHGAUUBBPW-CXAGYDPISA-N 317.385 3.148 0 40 DGAB COc1ccc2oc(C)c(C(=O)N3CCO[C@@H]4CCC[C@H]43)c2c1 53385819 YOJAESHTIVLJEF-GDBMZVCRSA-N 315.369 3.143 0 40 DGAB Clc1cc2c(c3ncccc13)OCN(C[C@@H]1CCCO1)C2 54073032 VLDRDEUNTOQZBL-LBPRGKRZSA-N 304.777 3.219 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)C(C)(C)c2ccccc2)C1 58210813 OFJAUXQPOSAVRM-INIZCTEOSA-N 302.462 3.201 0 40 DGAB COc1cc(C2(C(=O)N[C@H](C)c3ccncc3)CC2)ccc1C 65620976 MHICIOCEULBTTM-CQSZACIVSA-N 310.397 3.308 0 40 DGAB CC(C)(C)C(=O)N1CCC[C@H](C(=O)N(C2CCCC2)C2CC2)C1 67917906 NCPYOUXADDJIMI-AWEZNQCLSA-N 320.477 3.205 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)cc2c1 69619088 QXGYKCFPGHBXPX-ZWKOTPCHSA-N 311.429 3.175 0 40 DGAB O=C(CCSc1ccccc1F)NCCc1cscn1 71896343 SIAFZSGTGJXYFS-UHFFFAOYSA-N 310.419 3.123 0 40 DGAB Cc1ccc(-c2snnc2C(=O)Nc2cccc(C)n2)cc1 72240032 LILPIHZMNYGCLC-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB O=C(CCc1ccc(F)cc1)Nc1cc(-c2ccncc2)n[nH]1 72256056 FGVRLBRWNSDUFU-UHFFFAOYSA-N 310.332 3.182 0 40 DGAB CCCN(CC(=O)Nc1ccc(Cl)cc1)C(=O)c1ccc[nH]1 72281126 ZIANPMCMOVUTCH-UHFFFAOYSA-N 319.792 3.159 0 40 DGAB COc1cc(C(=O)N2CCCCC2)nc2c(C)cc(F)cc12 72328775 NPYSVKPLKACPPY-UHFFFAOYSA-N 302.349 3.317 0 40 DGAB COc1ccc(-c2nc3cc(-n4cnnc4)cc(C)c3o2)cc1 73639498 UHAIDCMUQWSSMQ-UHFFFAOYSA-N 306.325 3.393 0 40 DGAB Cc1nn(C)c(C)c1C[C@H](C)NC(=O)N1CCC(C(C)C)CC1 74675952 HZANYBZBGMTKCI-ZDUSSCGKSA-N 320.481 3.046 0 40 DGAB CN1CCC(CC(=O)Nc2cccc(Br)c2)CC1 74921053 VMVULSGVDQFLIV-UHFFFAOYSA-N 311.223 3.120 0 40 DGAB CCc1ccc(C(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)o1 75130333 RTDAPOKKVURRQR-AWEZNQCLSA-N 301.390 3.170 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CC[C@H](Cc3ccc(F)cc3)C2)c1 76652518 XXEJQNQXSCHNJB-CQSZACIVSA-N 314.360 3.061 0 40 DGAB COc1ccc(C(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cc1 79112730 PIHOJFAMQDWYCG-AWEZNQCLSA-N 305.374 3.277 0 40 DGAB CC(C)[C@@H]1CCCN1C(=O)CSCC(=O)c1ccccc1 79330759 GXJCESIEJATZRZ-HNNXBMFYSA-N 305.443 3.250 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1c(F)cccc1Br 84245106 BPHZGGMNXPDLPQ-SECBINFHSA-N 316.170 3.486 0 40 DGAB Cc1ccc(CNC(=O)Cc2ccon2)c(OC(C)(C)C)c1 84795321 CVBGNJUBPLUPAL-UHFFFAOYSA-N 302.374 3.019 0 40 DGAB Cc1nc(N)sc1-c1nc(-c2ccccc2OC(F)F)no1 89263109 CHALOWHDPOLQKT-UHFFFAOYSA-N 324.312 3.352 0 40 DGAB COc1ccccc1CN[C@@H](C)c1cnc2cc(C)nn2c1C 89610797 XJAOREHCUHATQX-ZDUSSCGKSA-N 310.401 3.206 0 40 DGAB Cc1ncc([C@@H](C)NC[C@@]2(O)CCCc3ccccc32)s1 90409033 NMUZASMSHDVDLU-PXAZEXFGSA-N 302.443 3.326 0 40 DGAB FC(F)n1ccnc1Cn1nc(C(F)(F)F)c2cnccc21 92918745 HZFDNCVFWFAQRA-UHFFFAOYSA-N 317.221 3.090 0 40 DGAB Nc1ncc2ccc(-c3ccc(O[C@H]4CCCCO4)cc3)nc2n1 95092867 IDWQEAJNRDBXHP-INIZCTEOSA-N 322.368 3.179 0 40 DGAB CC(C)n1cc(NC(=O)N(C[C@H](C)O)C2CCCCC2)cn1 95939146 GIKMWKACZYAUAK-ZDUSSCGKSA-N 308.426 3.011 0 40 DGAB CC(C)[C@H](O)C(C)(C)CNC(=O)C12CC3CC(CC(C3)C1)C2 95973801 YGWCVYHGYGBGLI-DZPQGLOJSA-N 307.478 3.362 0 40 DGAB CO[C@H]1COC2(CCN(Cc3ccc4ccccc4n3)CC2)C1 96106540 WCSFQGXSWXZUJB-QGZVFWFLSA-N 312.413 3.005 0 40 DGAB COc1cccc(Cl)c1C(=O)N[C@H](C)c1c(C)nn(C)c1C 96425171 ADFZQZOAZMZNNL-SECBINFHSA-N 321.808 3.190 0 40 DGAB C[C@H](CCO)CNC(=O)Nc1ccccc1N1CCCCCC1 96433929 IJRQPNVBHRDWIF-OAHLLOKOSA-N 319.449 3.207 0 40 DGAB Cc1ccc(CC(=O)NC[C@H]2SCCc3ccccc32)cn1 96454672 UPVKPLKIQRHAHZ-QGZVFWFLSA-N 312.438 3.079 0 40 DGAB COC(=O)c1sccc1COc1nnc(-c2ccccc2)o1 96465937 WNIQJERAWGGOQI-UHFFFAOYSA-N 316.338 3.164 0 40 DGAB CC[C@H](OC1CCCCC1)C(=O)Nc1nc2c(s1)COCC2 96472350 JHUORNFCNUAGLD-ZDUSSCGKSA-N 324.446 3.282 0 40 DGAB Cc1ocnc1C(=O)N[C@@H]1CCCOc2cc(Cl)ccc21 96493035 UPVGFSOORLOBCF-GFCCVEGCSA-N 306.749 3.280 0 40 DGAB Cc1ccccc1CS(=O)(=O)NCCc1ccc(Cl)cc1 96658964 YIEWGHPOQULAFR-UHFFFAOYSA-N 323.845 3.311 0 40 DGAB CNC(=O)N[C@H](c1ccccc1C(F)(F)F)C(F)(F)F 97053108 QXLANTUYFAXVHV-MRVPVSSYSA-N 300.202 3.238 0 40 DGAB CC1(CO)CCN(C(=O)NCc2ccc3ccccc3c2)CC1 97377492 CYQGSIVFPABAJJ-UHFFFAOYSA-N 312.413 3.144 0 40 DGAB COc1ccccc1C(=O)/N=c1/sc2cc(C)ccc2n1C 102948423 IXCFBDXYQMVOGV-ISLYRVAYSA-N 312.394 3.298 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)[C@@H]1C[C@H]2CC[C@H]1C2 105557500 XBCDPFTYQMVIKV-GMXVVIOVSA-N 302.399 3.456 0 40 DGAB O=C(c1noc2c1CCCC2)N1CCC[C@H](c2nccs2)C1 109052563 SGDDMZMGRNNSAG-NSHDSACASA-N 317.414 3.030 0 40 DGAB Cc1cc(Br)cc(C(=O)N2CCOCC[C@@H]2C)c1 130606614 VWPLOJCWPPVRGX-NSHDSACASA-N 312.207 3.009 0 40 DGAB Cc1ncccc1CN[C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 131454377 ZQOZMAPFUMOBQR-JKSUJKDBSA-N 319.449 3.316 0 40 DGAB CCn1c(NCc2ccc([S@](C)=O)cc2)nc2ccccc21 158912205 JMEUFPXJIRPTML-JOCHJYFZSA-N 313.426 3.406 0 40 DGAB OC[C@H](Cc1ccc(O)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1 190515864 HOWLDFUQVVQJOQ-MCIONIFRSA-N 317.351 3.006 0 40 DGAB Cc1cc(NC(=O)NCC2(C)OCCCO2)ccc1OC(C)C 192221277 OVDPVSOXHBWKNV-UHFFFAOYSA-N 322.405 3.057 0 40 DGAB Nc1ccccc1-c1nnc(-c2cc3ccccc3oc2=O)o1 216907981 NKHBXLXLWNYBFB-UHFFFAOYSA-N 305.293 3.092 0 40 DGAB CCO[C@](C)(C(=O)Nc1ccc(OC)c2ncccc12)C1CC1 225902677 WNLJPMWVQDGIGO-SFHVURJKSA-N 314.385 3.387 0 40 DGAB O=C(O)c1ccc(NC(=S)NCCCc2ccccc2)cc1 243315200 LKARUEJAESSDEQ-UHFFFAOYSA-N 314.410 3.304 0 40 DGAB CC(C)C(=O)N1CCCC[C@H]1CCc1cccc(N(C)C)n1 257241383 HXWKMRYUFWBQGM-INIZCTEOSA-N 303.450 3.117 0 40 DGAB c1ccc(C[C@@H]2CC3(CCN(Cc4ccccn4)CC3)CO2)nc1 257243197 IFVZOZJAWOAYQP-LJQANCHMSA-N 323.440 3.090 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)N[C@H](C)c2ccccc2)cc1 339378977 MWQAFPWDXKZHFE-OAHLLOKOSA-N 324.424 3.304 0 40 DGAB CCOc1ccc(N(Cc2cccc(C)c2)S(C)(=O)=O)cc1 408624297 GNUNVGQSVXEPMA-UHFFFAOYSA-N 319.426 3.360 0 40 DGAB O=C(NC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)s1 408718011 BPMGXLNQCAWVDD-UHFFFAOYSA-N 324.365 3.167 0 40 DGAB CCc1ccccc1S(=O)(=O)NC1CCC(F)(F)CC1 493766680 KIQBJCBFWFKYJY-UHFFFAOYSA-N 303.374 3.105 0 40 DGAB O=C(O)c1csc(NC(=O)c2cccc([C@@H]3CCOC3)c2)c1 581983776 XBTNHLAZHSKXOP-GFCCVEGCSA-N 317.366 3.203 0 40 DGAB C[C@@H](CC(=O)N[C@H](C)c1cnccn1)Cc1cccc(F)c1 585086790 HGJSHIBBKZBBBA-CHWSQXEVSA-N 301.365 3.062 0 40 DGAB O=C(O)c1cccc(-c2ccc(C[C@@H]3CCCNC3=O)cc2)c1 585166827 LDXIHUQRUBDTQG-INIZCTEOSA-N 309.365 3.121 0 40 DGAB c1cc(C[C@@H]2CCCNCC2)nc(-c2cnc3ccccn23)c1 585262834 AAXUMWNQVGTQBN-OAHLLOKOSA-N 306.413 3.329 0 40 DGAB CCc1cc(N2CCC[C@@H](COc3cccc(C)n3)C2)ncn1 1888850248 BKSLQMFBVHLTKY-OAHLLOKOSA-N 312.417 3.038 0 40 DGAB Cc1cc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)ccn1 12549452 CIINTNZHGQXHKU-SNVBAGLBSA-N 313.382 3.075 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@@](C)(C(C)=O)[C@H]1C(=O)O 1644684 HBOIWINCXVOSNS-MJGOQNOKSA-N 314.381 3.485 0 40 DGAB CCC[C@H](C)c1cc(NS(=O)(=O)c2ccccc2F)n[nH]1 79106556 DJXNLGKEYXMAIN-JTQLQIEISA-N 311.382 3.253 0 40 DGAB Cc1ccnc(NC(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)c1 12522264 RLSHSFFRXWTKLH-JTQLQIEISA-N 313.382 3.075 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)Nc2nncs2)C2CC2)o1 43129335 UHROZYOUPSMGSQ-CABZTGNLSA-N 318.402 3.451 0 40 DGAB CCCCn1nnnc1NCc1ccc(-c2ccccc2F)o1 7262193 RYOZEXGYWLNKIH-UHFFFAOYSA-N 315.352 3.484 0 40 DGAB COc1ccc(C)cc1CCNC(=O)c1cc(Cl)ccn1 25828107 LFJQIDMIFZOJOU-UHFFFAOYSA-N 304.777 3.025 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)Cc2ccc(F)cc2F)cc1 12741479 BBGPEHFFJLTOCW-UHFFFAOYSA-N 311.353 3.094 0 40 DGAB CC(=O)c1cc(CCC(=O)NCc2ccc(F)cc2)oc1C 12779623 LYTOVAJLYAGMNL-UHFFFAOYSA-N 303.333 3.179 0 40 DGAB Cc1ccc(-c2n[nH]c3c2[C@@H](c2ccc(O)cc2)N(C)C3=O)cc1 21523435 DTSWLLWNGWMPED-GOSISDBHSA-N 319.364 3.266 0 40 DGAB CC(C)c1ccc(CNC(=O)C(=O)Nc2ccc(F)cc2)cc1 59417460 KPIPGVYPQHILDA-UHFFFAOYSA-N 314.360 3.204 0 40 DGAB COC(=O)c1cccc(NCc2nc(-c3ccsc3)no2)c1 29398228 AZHGCTFCGFKQHK-UHFFFAOYSA-N 315.354 3.197 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1nc(-c2ccccn2)cs1 46131909 HZRPQWNOXHSKRO-LLVKDONJSA-N 303.387 3.103 0 40 DGAB C[C@H](CNC(=O)N[C@H](C)C[C@H](O)c1ccco1)c1ccsc1 95413573 FZULUSGSOIJSDA-BZPMIXESSA-N 322.430 3.256 0 40 DGAB Cc1cccc(C)c1NC(=O)CN1CCc2sccc2C1 10340980 XDWZKOQMERAPFW-UHFFFAOYSA-N 300.427 3.362 0 40 DGAB CCN(CC)CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 27974734 MGIZYQVKVCAFOP-HNNXBMFYSA-N 314.429 3.065 0 40 DGAB COc1cccc(C2(NC(=O)c3cccc(OC)c3F)CC2)c1 95445428 PTJGESWGENWTEL-UHFFFAOYSA-N 315.344 3.262 0 40 DGAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2ccc(C)cc2)c1 29506723 ZCUPZUCRXWVBBU-UHFFFAOYSA-N 318.398 3.009 0 40 DGAB Cc1ccc(/C=C/C(=O)N[C@H](C)C[C@@H](O)c2cccs2)o1 95434453 RMSQIGHSCVALOM-OZBKYDQSSA-N 305.399 3.291 0 40 DGAB COCc1ccccc1NC(=O)NC[C@@H](C)N1CCC(C)CC1 65585092 CUEONDIJGBTGCH-OAHLLOKOSA-N 319.449 3.075 0 40 DGAB CN(C)Cc1ccc(CNC(=O)Nc2ccc(F)cc2)cc1 14161787 ZUYGSQPXFRAORF-UHFFFAOYSA-N 301.365 3.209 0 40 DGAB CC(=O)Nc1ccc(C2=N/C(=C/c3ccc(F)cc3)C(=O)O2)cc1 4502142 YVDBSBLJYBFVLS-MHWRWJLKSA-N 324.311 3.129 0 40 DGAB CN(Cc1ccco1)C[C@H](O)CO[C@@H]1CCCc2ccccc21 14202077 FOTCGNFPIWFKRZ-QFBILLFUSA-N 315.413 3.167 0 40 DGAB CCOC(=O)N[C@H](Nc1ccccc1F)C(=O)c1ccccc1 5473169 LDDCPOLZHBCZHS-INIZCTEOSA-N 316.332 3.193 0 40 DGAB O=C(O)C[C@H](NC(=O)Cc1cccs1)c1ccc(Cl)cc1 4686089 GJXHSFHWGIHPSF-ZDUSSCGKSA-N 323.801 3.276 0 40 DGAB CCN(CC)[C@@H](CNC(=O)/C=C/c1ccco1)c1ccccc1 14903539 BJNPVXNSOUBGGS-HHNLSAEISA-N 312.413 3.492 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(-c3nnc4n3CCCC4)cc2)o1 66803691 CLXIETOALPKCHR-UHFFFAOYSA-N 322.368 3.435 0 40 DGAB CN(C(=O)c1cc(Cl)ccn1)[C@@H]1CCc2ccccc2C1 71907545 FMGZOWGYGHITRG-OAHLLOKOSA-N 300.789 3.365 0 40 DGAB O=C(C1CCC1)N1CCCN(Cc2cccc3cnccc23)CC1 67714838 DQMFJKMQNRDNNM-UHFFFAOYSA-N 323.440 3.069 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Nc2ccc(F)cc2N)CC1 67800704 NWSVIWVVPNTIQK-UHFFFAOYSA-N 309.385 3.219 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)c2cc3c(F)cccc3[nH]2)cn1 71796833 WPTXRDQEADXLLQ-INIZCTEOSA-N 312.348 3.018 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)NCCC1=CCCCC1 16695470 PMZMMIGSJRREAY-OAHLLOKOSA-N 316.445 3.353 0 40 DGAB CCn1cnnc1C1CCN(C(=O)c2cc3ccccc3o2)CC1 69351980 KBMFAEWNZNNLCR-UHFFFAOYSA-N 324.384 3.064 0 40 DGAB Cc1noc(C)c1C[C@@H](C)NC(=O)N[C@H](C)c1ccc(F)cc1 96415130 VAASKRUGCVSWGT-GHMZBOCLSA-N 319.380 3.422 0 40 DGAB C[C@H](C(=O)Nc1c(F)cccc1F)N1CCc2ccccc21 8308568 DELMCDSQGHEECJ-LLVKDONJSA-N 302.324 3.355 0 40 DGAB Cc1ccc(-c2nc(CCNC(=O)Nc3ccncc3)co2)cc1 69598466 OUTQYKJEROSAIP-UHFFFAOYSA-N 322.368 3.409 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Oc1cccc(C)c1 25720879 OXVWJJZCQXONCR-UHFFFAOYSA-N 308.337 3.409 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1C(=O)N(C)Cc1cccc(O)c1 69620155 GEJMQZFYNHKCHD-DLBZAZTESA-N 311.381 3.163 0 40 DGAB C[C@H](NCc1ccc(OC2CCCCC2)nc1)c1cnccn1 95421473 WJITVBGIIGUIQZ-AWEZNQCLSA-N 312.417 3.434 0 40 DGAB Cc1ccc(C(=O)Nc2cc(Br)ccc2O)cc1N 94573710 DKFFNZNZGDCJER-UHFFFAOYSA-N 321.174 3.298 0 40 DGAB CCn1cc(CN2CCC(OCc3ccccc3C)CC2)cn1 97050910 ZCKHFLBHWCKQAV-UHFFFAOYSA-N 313.445 3.393 0 40 DGAB Cc1cc(C)cc(OC[C@@H](O)Cn2nccc2-c2ccncc2)c1 95974771 BYAJAFDATXDFET-KRWDZBQOSA-N 323.396 3.002 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](NCc2cncs2)C1 97095780 FFJLTUBFEBEPSM-VXGBXAGGSA-N 311.451 3.069 0 40 DGAB C[C@@H](NC(=O)N1CCC[C@@H](CO)C1)c1csc2ccccc12 72268293 BSIYONKBSOOKPE-CHWSQXEVSA-N 318.442 3.376 0 40 DGAB CC(=O)Nc1cccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)c1 24515369 JAJVMKYOAJRHFE-GOSISDBHSA-N 323.396 3.077 0 40 DGAB CC(C)(CNC(=O)[C@@H]1CCn2ccnc2C1)C1CCCCC1 95980220 VVXGVSSMTAOQEF-CQSZACIVSA-N 303.450 3.168 0 40 DGAB CNc1ncc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 97143517 RAXIAJQNJMCFBO-UHFFFAOYSA-N 318.185 3.450 0 40 DGAB C[S@](=O)Cc1cccc(NCCc2ccc3c(c2)CCO3)c1 97114005 UWVJGIPSZYGLDE-JOCHJYFZSA-N 315.438 3.155 0 40 DGAB Cc1noc(C)c1CCC(=O)N[C@H]1C[C@H]1c1cccc(F)c1 95956162 WRHNODMTAJTULW-HOTGVXAUSA-N 302.349 3.035 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc(-n3nccn3)cc2)C1(C)C 84671107 LVOVKNYHPCBZKI-HOTGVXAUSA-N 310.401 3.444 0 40 DGAB Cc1ccc(CCNC(=O)N(C2CC2)[C@@H](C)c2ccco2)cn1 86396312 ZNUQBZKBDGIWHP-AWEZNQCLSA-N 313.401 3.461 0 40 DGAB CS(=O)(=O)N(Cc1cccc(Cl)c1)c1cccc(F)c1 408625081 HZQDVHJHGXDTBI-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB CC(=O)c1cccc(-c2ccc(/C=C3\SC(=O)NC3=O)o2)c1 408813958 GFNXRJQVIMGGCC-ZSOIEALJSA-N 313.334 3.473 0 40 DGAB COc1ccccc1CCN1CCc2c([nH]c3ccccc23)C1=O 68605322 FHBFWWFJMRNZOC-UHFFFAOYSA-N 320.392 3.418 0 40 DGAB CN[C@H](C(=O)c1ccccc1)[C@@H](OC)c1ccc(Cl)cc1 61886123 KHCZBRQXKFBDLU-WBVHZDCISA-N 303.789 3.498 0 40 DGAB CC1CCN(c2ccc3c4c(cccc24)C(=O)N(C)C3=O)CC1 408735801 WYLKLCBRNAKFIB-UHFFFAOYSA-N 308.381 3.302 0 40 DGAB c1ccc(N2CCC(N3CCC4(CCNCC4)CC3)CC2)cc1 72151887 QCAHQGBGZPHKOT-UHFFFAOYSA-N 313.489 3.121 0 40 DGAB Cc1cc(-c2ccc(CCC(N)=O)o2)ccc1Br 216924392 CXWZKXLBNOMHSY-UHFFFAOYSA-N 308.175 3.435 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(CC)cc2)cc1 72228098 GMIBBJHGJMBNKH-ZWKOTPCHSA-N 310.397 3.063 0 40 DGAB CC(C)OCc1cccc(NC(=O)NC[C@H]2CCCC[C@H]2O)c1 77693265 YZRCDIGIAYQIGR-NVXWUHKLSA-N 320.433 3.284 0 40 DGAB CC(=O)N1CCC[C@H](c2ccnc(Nc3cccc(C)n3)c2)C1 72365750 GBUKRANJFQWBEC-INIZCTEOSA-N 310.401 3.255 0 40 DGAB C[C@@](O)(CNc1ccc(Br)cn1)c1ccsc1 77236333 HDGSXGVQRPEHSU-GFCCVEGCSA-N 313.220 3.225 0 40 DGAB S=C(Nc1ccc(N2CCc3ccccc3C2)nc1)NC1CC1 224031742 CEGMAZOSIWAENJ-UHFFFAOYSA-N 324.453 3.093 0 40 DGAB CCN(c1cccc(C)c1)S(=O)(=O)c1ccc(OC)c(F)c1 225094485 RPRFAFJPASBXEB-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB CCCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CC 222905374 ZKNYASVOPXERFJ-AWEZNQCLSA-N 322.424 3.259 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCC[C@H](C)C2)cc1 44080792 JMMNMIWRNGHKBC-HNNXBMFYSA-N 305.491 3.403 0 40 DGAB COCc1ccccc1NC(=O)NC[C@@](C)(O)C1CCCCC1 192056535 WVIDLUHRWQCJIY-GOSISDBHSA-N 320.433 3.286 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)c1 42645915 OFLNEZHWCIPCPM-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB O=C(O)C[C@H](CC(=O)NCc1ccc(F)cc1)c1cccs1 226751124 CGLNNIDLYDKOCJ-LBPRGKRZSA-N 321.373 3.152 0 40 DGAB CC[C@H](Oc1cccc(C)c1)C(=O)N1CC(=O)Nc2ccccc21 44903222 RKZZVGZWDJZGAE-KRWDZBQOSA-N 324.380 3.138 0 40 DGAB C[C@H](O)[C@H](C)S[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O 96494630 QEPFZDCMFJIAID-MWODSPESSA-N 317.813 3.087 0 40 DGAB Cc1cnc(NC(=O)[C@@]2(C)CC(c3cccc(F)c3)=NO2)s1 96192999 XYXGSVKPIQSUSI-OAHLLOKOSA-N 319.361 3.112 0 40 DGAB CC[C@H](NC(=O)N[C@H](C)Cn1ccnc1)c1cc(F)ccc1F 96419872 SPCMITQCHLXXAM-ABAIWWIYSA-N 322.359 3.000 0 40 DGAB CCn1c2nc(S)nnc2c2cc(Br)cc(C)c21 96319346 KMIPJMNPTQUNQY-UHFFFAOYSA-N 323.219 3.359 0 40 DGAB C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1ccc2[nH]ncc2c1 253369352 BKHNRUYZQFZMMY-RDTXWAMCSA-N 321.428 3.280 0 40 DGAB Cc1cc2nccc([C@]3(C)CCCN3Cc3cscn3)n2n1 257281977 ORTUJOWIFYGWBI-INIZCTEOSA-N 313.430 3.005 0 40 DGAB OC[C@H]1CN(c2nccc(C(F)F)n2)CC[C@H]1c1ccccc1 585082719 QMPUDNNZBLTCEH-KGLIPLIRSA-N 319.355 3.017 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(F)cc3F)C2)n1 257226866 FMMQKDKKOYKJFZ-LLVKDONJSA-N 305.328 3.016 0 40 DGAB Cc1cccc2nc(CNc3nccc(C(F)(F)F)n3)n(C)c12 268634980 PPOVDHJYPRPDHC-UHFFFAOYSA-N 321.306 3.303 0 40 DGAB O=C(O)CCN(Cc1ccccc1)C(=O)[C@H]1CCc2ccccc21 675947658 QNZUJXSPGBGDGQ-SFHVURJKSA-N 323.392 3.220 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@H]2C[C@H]2c2ccccc2Cl)no1 69619462 TWIZCLPMRDSWDL-ZFWWWQNUSA-N 319.792 3.334 0 40 DGAB CN(C(=O)NC[C@H]1Cc2ccccc2O1)[C@@H]1CCc2ccccc21 46875412 JGBVXCLDYGHRPU-SJLPKXTDSA-N 322.408 3.319 0 40 DGAB Cc1csc([C@@H](NC(=O)NCc2nc(C)c(C)o2)C2CC2)n1 73813512 JUZBNCYEGQRMRP-ZDUSSCGKSA-N 320.418 3.007 0 40 DGAB O=C(NCC[C@@H](O)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 77107805 WDGXGJHOICWCJA-MRXNPFEDSA-N 321.848 3.429 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC[C@@H](C(F)(F)F)N2)CC1 91303042 VCGIXNJTEPLEJZ-JTQLQIEISA-N 308.344 3.070 0 40 DGAB in-vitro Cc1cc(Br)ccc1N(C)C(=O)[C@@H]1CCO[C@@H]1C 92336986 DFPVWZMFMQAROT-ZYHUDNBSSA-N 312.207 3.145 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc(F)cc2)c(Br)n1 89626747 SQVZARARJLKOFH-UHFFFAOYSA-N 323.165 3.473 0 40 DGAB Clc1cnc(NC[C@@H](c2ccsc2)n2cccn2)nc1 1775970774 QWFXUNJZMVSTFX-LBPRGKRZSA-N 305.794 3.090 0 40 DGAB Cc1cccc(NC(=O)c2nc3ccccc3n3c(C)nnc23)c1 13365186 WKQZTAOGOHCHQO-UHFFFAOYSA-N 317.352 3.147 0 40 DGAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccccc3C)OC2=O)c1 13927345 GEQQZVCMIQAHPX-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB COc1cc(OC)nc(NC(=O)Nc2cccc3ccccc23)n1 16215059 HTOTVXAVFXLNAV-UHFFFAOYSA-N 324.340 3.291 0 40 DGAB c1csc(-c2noc([C@@H]3CCN(Cc4ccncc4)C3)n2)c1 19344688 TUHRXCRCCADABU-CYBMUJFWSA-N 312.398 3.183 0 40 DGAB C[S@@](=O)C[C@@H](NCc1cccc2[nH]ccc12)c1ccccc1 154694571 XQWXQGFOMPRAOV-GCJKJVERSA-N 312.438 3.377 0 40 DGAB COC(=O)c1ccc(/C=C2/N=C(c3ccccc3C)OC2=O)cc1 176820 BJHFNCITFKYJHA-LFIBNONCSA-N 321.332 3.126 0 40 DGAB O[C@@H]1CCCN(c2nc(-c3cccs3)nc3ccccc23)C1 23709397 LEODGPWOQOXXSW-GFCCVEGCSA-N 311.410 3.319 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](C)Cc1cc2ccccc2o1 253472776 PIIHBIFSSGQAQI-NSHDSACASA-N 312.369 3.328 0 40 DGAB CCN(CC)CCOC(=O)c1cc2cc(OC)ccc2nc1C 4776133 LWMQGDVSLJHXDR-UHFFFAOYSA-N 316.401 3.050 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccsc2)n2cccn2)c(C)o1 575614373 QYIAERWRRXMTHX-HNNXBMFYSA-N 315.398 3.174 0 40 DGAB Nc1cc2nn(-c3ccc(Cl)cc3)nc2cc1Br 569833 DYVATJLCTWCWQP-UHFFFAOYSA-N 323.581 3.419 0 40 DGAB Cc1cc(Cl)ccc1OCCN1C(=O)c2ccccc2C1=O 16283140 XTUBVNODGGVRPB-UHFFFAOYSA-N 315.756 3.323 0 40 DGAB O=C(O)CCCNC(=O)c1csc(-c2ccc(Cl)cc2)n1 33519370 UGOIOYBZEKJVJU-UHFFFAOYSA-N 324.789 3.058 0 40 DGAB O=C(O)c1cncnc1/C=C/c1ccccc1Br 40146050 NVUFBAHBQFRHFC-AATRIKPKSA-N 305.131 3.108 0 40 DGAB COc1ccc(CN(C)C(=O)NCc2ccccc2OC)cc1 30984360 TUSGDMYEFZWAFM-UHFFFAOYSA-N 314.385 3.045 0 40 DGAB COCC(=O)Nc1ncc(Cc2cccc3ccccc23)s1 31044710 UWBIMZONWBTISK-UHFFFAOYSA-N 312.394 3.472 0 40 DGAB Cc1cc(C)cc(C(=O)N(Cc2ccc(C(N)=O)cc2)C2CC2)c1 31175436 IQVRCBSIDIEJEL-UHFFFAOYSA-N 322.408 3.207 0 40 DGAB CCN1CCc2nc(NC(=O)c3cc(C)sc3C)sc2C1 21295740 OKADDRBOEVTMBW-UHFFFAOYSA-N 321.471 3.452 0 40 DGAB COC(=O)N(C)CC(=O)Nc1ccc(Oc2ccccc2)cc1 32915727 SGVWRZJNSGCEMO-UHFFFAOYSA-N 314.341 3.116 0 40 DGAB O=C(Cc1csc(-c2ccccn2)n1)Oc1cccc(F)c1 32727522 DQFKYFXWWRHZJF-UHFFFAOYSA-N 314.341 3.492 0 40 DGAB O[C@@H](COc1ccc(F)cc1)CSc1ncc2ccccn12 32860243 WTTVYROPWMPEEX-AWEZNQCLSA-N 318.373 3.005 0 40 DGAB CCC(=O)c1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 32957676 YOBMXKVWRWDSPV-UHFFFAOYSA-N 322.364 3.175 0 40 DGAB CC(C)CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C2CC2)c1 42474545 GWQMZRDRKGAYME-LBPRGKRZSA-N 304.390 3.035 0 40 DGAB CCOC(=O)c1cc(-c2cccc(OC(F)(F)F)c2)on1 1857794074 IKVWIOXALGAALN-UHFFFAOYSA-N 301.220 3.417 0 40 DGAB CCc1nc(SCC(=O)NC(C)(C)C)c2ccccc2n1 412523 RCMPVSMSHMHQSY-UHFFFAOYSA-N 303.431 3.199 0 40 DGAB C[C@@H](NC(=O)c1cccc(N2CCCC2=O)c1)c1ccccc1 429242 YTRWIGCMUUYASI-CQSZACIVSA-N 308.381 3.304 0 40 DGAB CC[C@H]1CCCCN1CC(C)(C)NS(=O)(=O)c1ccccc1 3179539 PMBKITOFUPVZRX-HNNXBMFYSA-N 324.490 3.008 0 40 DGAB CCOC(=O)c1nnc2ccccc2c1NCc1ccccc1 78824722 OJBSAQUQOMIUDH-UHFFFAOYSA-N 307.353 3.419 0 40 DGAB Cc1ccc(NC(=O)N[C@H]2CCCCC[C@H]2C(N)=O)cc1Cl 79097489 VSWJDTBHRIEZFS-OCCSQVGLSA-N 323.824 3.204 0 40 DGAB O=C1NN=C(c2ccccc2F)C[C@H]1c1ccc(Cl)cc1 1397844 MNDSKOJTWZZCRE-ZDUSSCGKSA-N 302.736 3.487 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2ccccn2)nn1C(C)(C)C 55523782 YURYNMJEYSBCGD-INIZCTEOSA-N 312.417 3.319 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)Nc3cnn(C)c3)s2)o1 25310044 SGQYSFBBPLTHLU-UHFFFAOYSA-N 302.359 3.006 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2C)cc1N 57340503 HPKRUOWQRBZDPF-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1F 3226460 HYFXICPURDHNKC-UHFFFAOYSA-N 321.735 3.204 0 40 DGAB O=C(O)c1nc(-c2cccc(Cl)c2)n(-c2ccc(F)cc2)n1 8730844 LEZUWDQXAMEESQ-UHFFFAOYSA-N 317.707 3.425 0 40 DGAB O=C(COC(=O)Cc1ccc(Cl)cc1)Nc1ccccc1 3217076 ZURORPAAZTWMGB-UHFFFAOYSA-N 303.745 3.064 0 40 DGAB O=C(O[C@@H]1C[C@H]2CC[C@H]1C2)c1nc(N2CCCC2)ncc1Cl 108062801 ABMCUNGFGJDJLZ-GMXVVIOVSA-N 321.808 3.076 0 40 DGAB CN1CCN(C(=O)Nc2ccccc2F)[C@@H](c2ccccc2)C1 57335828 HELSXBSXEPJTAY-QGZVFWFLSA-N 313.376 3.346 0 40 DGAB CCc1ccccc1NC(=O)CNC(=O)c1ccc(C)c(F)c1 12685717 FVAFIZXKFGTCJJ-UHFFFAOYSA-N 314.360 3.065 0 40 DGAB CCCn1nc(NC(=O)CC)c2cc3cc(OC)ccc3nc21 9360810 QFCFMWDRRGSOBD-UHFFFAOYSA-N 312.373 3.352 0 40 DGAB COc1ccc(Cl)cc1C(=O)Nc1ccc(CC(=O)O)cc1 9694306 PEXZZLDDHVVMCW-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB O=C(CCc1ccccc1)NCc1ncc(-c2ccccc2)[nH]1 58281247 DVLXQJCCAUNZMU-UHFFFAOYSA-N 305.381 3.326 0 40 DGAB Cc1cc([C@H]2CCCN2CC(=O)Nc2ccc(F)c(F)c2)no1 27880616 XMVZQCGMZVOXPP-OAHLLOKOSA-N 321.327 3.037 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)Cc1ccc(Cl)cc1 3317689 VQSIIMPNJURVEY-DOMZBBRYSA-N 323.820 3.121 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCN3)c1 36288219 ADMSYABMZMPTOJ-UHFFFAOYSA-N 302.399 3.072 0 40 DGAB CCOC(=O)c1cccnc1NC[C@@H](c1cccs1)N(C)C 48314324 UPELBQXSUOIBSU-ZDUSSCGKSA-N 319.430 3.035 0 40 DGAB C[C@H](NC(=O)c1cccc2ccccc12)c1nnc2ccccn12 48374343 NCNJUAYDOIGAKC-ZDUSSCGKSA-N 316.364 3.374 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCCc3ccccc32)c2cnn(C)c2n1 36616317 DQYMYGACGHDKDQ-KRWDZBQOSA-N 320.396 3.084 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102194347 ZMJGCXJSQJOYOS-XOUADPBQSA-N 317.429 3.187 0 40 DGAB O=C(Nc1cccc2nsnc12)c1cc(=O)c2ccccc2o1 27794467 HGNGIEJXZAZNEK-UHFFFAOYSA-N 323.333 3.050 0 40 DGAB COc1ccc2nc(NC(=O)CC[C@H]3CCCO3)sc2c1 46111857 KEJQMJDNLPQNCS-SNVBAGLBSA-N 306.387 3.203 0 40 DGAB Cc1noc(-c2ccc(NC(=O)COc3ccccc3)cc2)n1 62578858 ZJTLXLOZVORVPD-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccc(F)cc3)nn2)cc1 13355651 IFXKMZXJVLUJOW-ZDUSSCGKSA-N 324.359 3.206 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)OC[C@@H]1CCCN2CCCC[C@H]12 4028164 COVCNGRWIKQEQM-XYJFISCASA-N 317.429 3.262 0 40 DGAB biogenic CC1(C)C[C@@H](C(=O)N2CCc3[nH]c4ccccc4c3C2)CCO1 4084357 UOTICQZRTZNIMS-ZDUSSCGKSA-N 312.413 3.258 0 40 DGAB biogenic COCCC1(C(=O)Nc2ccc(CN(C)C)c(F)c2)CCC1 95415597 SZKVWAMWRDIEIF-UHFFFAOYSA-N 308.397 3.033 0 40 DGAB CCOc1cc2c(cc1NCc1cn3cccnc3n1)O[C@H](C)C2 95417967 YVKMMLQDRADMSJ-GFCCVEGCSA-N 324.384 3.064 0 40 DGAB C[C@H](CN(C)Cc1ccccc1)OC(=O)COc1ccccc1 4723160 HRYVAVKEGWKLRR-MRXNPFEDSA-N 313.397 3.129 0 40 DGAB CCN(C(=O)c1ccc(C)nc1)[C@@H](C)Cc1ccc(OC)cc1 66806619 MATPQWDBXQHAHJ-HNNXBMFYSA-N 312.413 3.492 0 40 DGAB CSC[C@@H](C)N(C)C(=O)Nc1nn(-c2ccccc2)cc1C 96413408 OQTIDGBJWYGJBA-CYBMUJFWSA-N 318.446 3.396 0 40 DGAB Cc1cccc(OCCNC(=O)CCc2ccc(F)cc2)c1 60887169 ODVARDSRICORLI-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1cccnc1NC(=O)c1nn(-c2ccccc2)c2c1CCC2 15554224 ABKWBJNHGCRRNV-UHFFFAOYSA-N 318.380 3.317 0 40 DGAB Cn1cc(CNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)cn1 71896071 YEEITDYGIVJTQL-NWDGAFQWSA-N 324.211 3.147 0 40 DGAB Cc1cn(-c2ccccc2)nc1NC(=O)c1cccc2cn[nH]c12 71883567 WNVKCGVLTKNKKV-UHFFFAOYSA-N 317.352 3.309 0 40 DGAB Cc1nnc2n1CCN([C@@H](Cc1ccccc1)c1ccccc1)C2 71871939 FMKNJHBEKWFOLP-IBGZPJMESA-N 318.424 3.386 0 40 DGAB O=S(=O)(CCCc1cn[nH]c1)c1ccc(Cl)c(Cl)c1 90989436 LHQYFARTJLCFIB-UHFFFAOYSA-N 319.213 3.123 0 40 DGAB CC(C)n1nccc1NC(=O)N[C@@H](C)C[C@@H](O)c1cccs1 95433475 UDJREWFVDCZDSK-NWDGAFQWSA-N 322.434 3.159 0 40 DGAB Cc1ccc(C(=O)Cn2c([C@H](C)O)nc3ccccc32)s1 69161102 QGTRIGCXKBKFFN-NSHDSACASA-N 300.383 3.342 0 40 DGAB CC(C)(CCCNC(=O)c1cccc2[nH]ccc12)C1OCCO1 81722907 LCBHBKUMTDWOKY-UHFFFAOYSA-N 316.401 3.077 0 40 DGAB CCNc1nnc(SCc2ccc(C(=O)OCC)o2)s1 91531309 IWBJRQPBHJQEBC-UHFFFAOYSA-N 313.404 3.032 0 40 DGAB COc1ccccc1[C@@H]1C[C@@H]1C(=O)N(C)Cc1cccc(O)c1 69620159 GEJMQZFYNHKCHD-IRXDYDNUSA-N 311.381 3.163 0 40 DGAB Cc1c([C@@H](C)NC(=O)N2CCC[C@@H](O)C2)oc2ccc(F)cc12 69897344 QACKCXCVSSCJNV-DGCLKSJQSA-N 320.364 3.108 0 40 DGAB CCOC(=O)c1c(-c2ccc(F)cc2)nc(N)nc1C(C)C 22058934 QLXLISAWVGPSSW-UHFFFAOYSA-N 303.337 3.165 0 40 DGAB in-vitro NC(=O)c1ccc(NC(=O)N2CCC3(CCCC3)CC2)cc1F 72292044 MKACMWKGDDIHKJ-UHFFFAOYSA-N 319.380 3.113 0 40 DGAB O=C(Nc1cn[nH]c1)N1CCSC[C@H]1c1ccc(Cl)cc1 72286635 KGAHKYLXQUGSEK-ZDUSSCGKSA-N 322.821 3.385 0 40 DGAB C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)CCN1C(=O)OC(C)(C)C 73656829 SVRFXOKOXZLDFC-RYUDHWBXSA-N 314.426 3.299 0 40 DGAB COc1cc(CNc2cc(C(C)C)on2)cc(OC)c1OC 95990085 MBXIFZNYKODMSM-UHFFFAOYSA-N 306.362 3.436 0 40 DGAB C[C@H](N[C@@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 95968336 KMXGLMDHSXQJSR-AAEUAGOBSA-N 305.399 3.251 0 40 DGAB CCOC(=O)N1CCC(N[C@@H]2CCC[C@H](SCC)C2)CC1 89158144 NZVOBAIRMZZHBS-CABCVRRESA-N 314.495 3.261 0 40 DGAB Nc1c(C(=O)N2CCCc3ccccc32)sc2ncccc12 22607246 MRDUNXMPNSNTBK-UHFFFAOYSA-N 309.394 3.472 0 40 DGAB COc1cccc(Cc2cncc3c(O)c(OC)ccc23)c1O 1719201 ZJURXQJVAPXRBP-UHFFFAOYSA-N 311.337 3.254 0 40 DGAB biogenic Cc1nc(-c2cccs2)ccc1C(=O)N1C[C@H](C)O[C@@H](C)C1 121845761 ONCOWJYBFYSMOH-RYUDHWBXSA-N 316.426 3.368 0 40 DGAB CC(C)c1cc(-c2nn3c(-c4ccccc4)nnc3s2)n(C)n1 49547387 CZGQGGMDXHCCMO-UHFFFAOYSA-N 324.413 3.377 0 40 DGAB Cc1cc(NC(=O)CCc2c(C)n[nH]c2C)c2ccccc2n1 49026451 VZCMAMJDSZTXFU-UHFFFAOYSA-N 308.385 3.454 0 40 DGAB O=C(c1cccc(CN2CCOCC2)c1)c1ccc(F)c(F)c1 43211042 DKXVGVGQYAUZME-UHFFFAOYSA-N 317.335 3.028 0 40 DGAB CCC(=O)N(Cc1ccc(C)cc1)[C@@H](CC)C(=O)NCC(C)C 224664752 YAXJGZNDGFYXMA-KRWDZBQOSA-N 318.461 3.284 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)N[C@H](C)CC 225554706 SAYRELXAPYOMMJ-WBVHZDCISA-N 318.461 3.427 0 40 DGAB CC(=O)Nc1nc(C(=O)Nc2ccc(OC(C)C)cc2)cs1 49231433 BTKVGVPRFDOIDC-UHFFFAOYSA-N 319.386 3.141 0 40 DGAB Cn1c(SCOCc2ccccc2)nnc1-c1ccccn1 195562366 MHCZKEALSYQZCS-UHFFFAOYSA-N 312.398 3.144 0 40 DGAB Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)N[C@H]1CCSC1 96499648 OVWNRSAXHPOXHO-KCJUWKMLSA-N 307.385 3.218 0 40 DGAB CCSc1cc(Cl)ccc1C(=O)N[C@@H](C)c1ncon1 97378192 GPEYDRUBVJFRNU-QMMMGPOBSA-N 311.794 3.326 0 40 DGAB CCOC[C@@H]1CC2(CCN(CCc3ccccc3)CC2)CO1 96206253 DSOHXJPEFVLEHR-SFHVURJKSA-N 303.446 3.137 0 40 DGAB C[C@H](NC1CCN(c2ccccn2)CC1)[C@@H]1COc2ccccc21 90845612 VQUZHJIGVSBJBN-YJBOKZPZSA-N 323.440 3.205 0 40 DGAB CSc1ccc(NC(=O)N2CCO[C@H](C)C2)cc1Cl 96447284 XBNLWHTWNFMYPB-SECBINFHSA-N 300.811 3.315 0 40 DGAB Cc1nc(C2CC2)oc1C(=O)N[C@@H](C(C)C)C1(CO)CCCC1 580215312 USAPCVIOAHWROU-HNNXBMFYSA-N 320.433 3.168 0 40 DGAB CN(C)c1ccc(C(F)(F)F)cc1NCc1ccc(CO)o1 95448694 MDGGXKKZXMFULD-UHFFFAOYSA-N 314.307 3.469 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](Cc2cccnc2)C1 257243557 IHNHBWDBVSJAJV-HNNXBMFYSA-N 313.401 3.035 0 40 DGAB COc1ccc(C)cc1CN1[C@H](C(=O)O)C[C@H]2CCCC[C@H]21 262048942 CRBAAXXEXWJXSY-BMFZPTHFSA-N 303.402 3.221 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)c1C 260658764 GMNBAVQFLIEFOB-SLEUVZQESA-N 318.442 3.257 0 40 DGAB COC(=O)c1cc(C(F)(F)F)nn1Cc1ccc(Cl)cc1 675031817 OXLDRSSTHIDAPP-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB FC(F)(F)Sc1cccc(I)n1 95918444 VNBYRRQUVLSYTB-UHFFFAOYSA-N 305.062 3.298 0 40 DGAB CCCCOc1ccc(C=O)cc1I 1857787634 TUVUOJKBXMBXST-UHFFFAOYSA-N 304.127 3.283 0 40 DGAB Cc1noc(/C=C/c2ccccc2OCCN2CCCCC2)n1 4015240 UTXYNOKBPCNJEX-MDZDMXLPSA-N 313.401 3.413 0 40 DGAB CCn1c(CNC(=O)c2ccc(C(C)C)cc2)nnc1SC 5001729 LRROERHDULTHIN-UHFFFAOYSA-N 318.446 3.073 0 40 DGAB CC(=O)c1ccc(OCCCC(=O)Nc2nc(C)cs2)cc1 5678461 AABMZAVZGVXVCQ-UHFFFAOYSA-N 318.398 3.452 0 40 DGAB CC(C)c1cc(C(=O)N2CCCCC[C@H]2c2cnn(C)c2)no1 12232564 PKLDBFHOCLAMRM-HNNXBMFYSA-N 316.405 3.289 0 40 DGAB CC(=O)NC1CCN(CC2(c3ccc(F)cc3)CCCC2)CC1 19021222 AHDJHOWADFMHBL-UHFFFAOYSA-N 318.436 3.238 0 40 DGAB Cc1cc(C)n(-c2cccc(CN3C[C@H]4CCCN4C[C@H]3C)c2)n1 19574817 CDDJIMDNYZXHOL-YLJYHZDGSA-N 324.472 3.158 0 40 DGAB CC(=O)Oc1c(C)s/c(=N\c2cccc(Cl)c2)n1C(C)=O 5375744 MIXPADKPAQLMTA-PEZBUJJGSA-N 324.789 3.329 0 40 DGAB COC(=O)CSc1nnc(Nc2ccc(C)cc2C)s1 5889476 AGDLCVDYAKFLGW-UHFFFAOYSA-N 309.416 3.164 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CC(=O)N(c3ccc(C)cc3)C2)cc1 5123497 VFBZHVBCOXFBAX-MRXNPFEDSA-N 323.396 3.230 0 40 DGAB COc1ccc(OCC(=O)Nc2nc(CSC)cs2)cc1 12230154 KYYYSOGUTBZRHB-UHFFFAOYSA-N 324.427 3.032 0 40 DGAB Cc1c(NC(=O)N[C@@H]2CCC[C@@H]2O)cccc1OC1CCCC1 96415929 BAMTZOBIZOYOIF-CVEARBPZSA-N 318.417 3.351 0 40 DGAB Cc1ccccc1OC[C@@H](O)CN1CCC[C@H](C(F)(F)F)C1 40160688 KNWMAPIIJQGHQR-KBPBESRZSA-N 317.351 3.009 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1nnc(C2CC2)s1 40105503 XIATYTRNVGPZNN-ZYHUDNBSSA-N 324.450 3.132 0 40 DGAB O[C@H](CN1CCN(c2cccc(Cl)c2)CC1)c1ccccc1 20218748 VPULMRMPHWSSHF-GOSISDBHSA-N 316.832 3.196 0 40 DGAB CNC(=O)c1cc(-c2cc(C)oc2C)nc2c1cnn2C(C)C 40484963 RGQTVZAYRBUUAI-UHFFFAOYSA-N 312.373 3.249 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)c1ccc(F)cc1 31927925 OBLGLAXVJXPMLG-UHFFFAOYSA-N 300.289 3.035 0 40 DGAB Cc1nn(C)c(C)c1C(=O)N[C@@H]1CCSc2ccccc21 32338743 KEVXSPRVKZFCEY-CYBMUJFWSA-N 301.415 3.004 0 40 DGAB COc1ccc(C)cc1CCNC(=O)N[C@H]1CCCC[C@H]1C 32862903 SHWXEELVULJFTQ-ZBFHGGJFSA-N 304.434 3.424 0 40 DGAB COc1ccc(OC)c(-c2oc3ccc(C)cc3c(=O)c2O)c1 115284 IKUJFCOPRKFYAJ-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB CC(C)CN(CC(C)C)C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 351816 XSCPMNSNLVUERI-MSOLQXFVSA-N 309.450 3.249 0 40 DGAB c1ccc(CNc2ncnc3c2ncn3[C@H]2CCCCO2)cc1 402731 POFWRMVFWIJXHP-CQSZACIVSA-N 309.373 3.138 0 40 DGAB biogenic Cc1ccc(C)c2[nH]c(=O)c(CNc3ccc4c(c3)OCO4)cc12 418503 ZQMVHAKLJFHBBZ-UHFFFAOYSA-N 322.364 3.486 0 40 DGAB COc1ccc(Cn2cnc3c([nH]c4ccc(F)cc43)c2=O)cc1 507740 WWPZJNMTFLNDNP-UHFFFAOYSA-N 323.327 3.074 0 40 DGAB CC[C@H]1SC2=NCN(c3ccc4ccccc4c3)CN2C1=O 1512464 PETNTFQJAQFRKJ-OAHLLOKOSA-N 311.410 3.285 0 40 DGAB CCSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 1813244 ABITVTDSGHPHPP-UHFFFAOYSA-N 315.439 3.419 0 40 DGAB COc1ccc(-c2nc(-c3ccccc3OC)no2)cc1OC 2331181 IDGKROPBCDYPCE-UHFFFAOYSA-N 312.325 3.429 0 40 DGAB CC(=O)Nc1ccc(OCC[n+]2ccc3ccccc3c2)cc1 3148540 DZYPNRAJFCUSSF-UHFFFAOYSA-O 307.373 3.165 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)OC(=O)c2ccccc2)cc1 3284467 VHAOQLKNARDVDA-ZDUSSCGKSA-N 311.337 3.073 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCc2ccccc2Cl)c1 3374697 OQTUYRDWXQYLPN-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB Nc1ccc(Cl)c(S(=O)(=O)Nc2ccccc2Cl)c1 3885384 ALUAZPTZCNGZGY-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB CCN(CC)C(=O)CCc1nc(-c2ccc(Cl)cc2)no1 4784026 FZYVABVQZIWEMW-UHFFFAOYSA-N 307.781 3.191 0 40 DGAB Cc1nc(SCC(=O)c2ccc(Cl)cc2)[nH]c(=O)c1C 5155311 AWYOWAPGZIJCKZ-UHFFFAOYSA-N 308.790 3.015 0 40 DGAB CCn1cc(NC(=O)N2CCCC[C@H]2CCO)c2ccccc21 5265928 SUZLSTBSAKWFIT-AWEZNQCLSA-N 315.417 3.430 0 40 DGAB O=c1c2ccccc2[nH]c(=S)n1CCc1ccc(F)cc1 5660106 PHFHBQIKAVAAKJ-UHFFFAOYSA-N 300.358 3.441 0 40 DGAB CC(=O)Nc1ccc2c(c1)N(CC(C)C)C(=O)C(C)(C)CO2 8959798 ONYIEWCLQXKQOE-UHFFFAOYSA-N 304.390 3.053 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H](C)c2ccccc2)c(C)c1C 9062024 KPRLXRBNYNVINI-AWEZNQCLSA-N 319.426 3.352 0 40 DGAB Cc1cccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H]2CCCN32)c1 9157320 SOEQVJQNASBQCU-KRWDZBQOSA-N 321.380 3.168 0 40 DGAB NC(=O)[C@H](Sc1ncnc2sccc12)c1ccccc1 10340956 ZFHWTSWZNUFORL-LLVKDONJSA-N 301.396 3.010 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1cnc(C(C)(C)C)nc1 12204022 ZDTCZBJFOCZFHM-LLVKDONJSA-N 303.431 3.197 0 40 DGAB COc1cccc([C@H]2C[C@@H](c3ccccc3)Nc3ncnn32)c1 12469265 AMNRSUAQXLGNAK-DLBZAZTESA-N 306.369 3.433 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccccc2N2CCCC2)cc1 12543514 ZUMBYVJMUKGLRI-UHFFFAOYSA-N 323.396 3.498 0 40 DGAB CC(C)(C)c1cc(NC(=O)Cn2ccnc2)n(-c2ccccc2)n1 12582374 SRCIEJXUCPGAHT-UHFFFAOYSA-N 323.400 3.005 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N[C@H]1CCc2ccccc21 13001900 QMWFOLDFTHDURZ-CJNGLKHVSA-N 310.397 3.299 0 40 DGAB COc1cc(CNC(=S)Nc2ccccc2)cc(OC)c1 13577077 QOPLAOREWLNWSQ-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB COc1ccc2c(ccn2CCC(=O)Nc2nc(C)cs2)c1 13723144 ORCCUXHDUWMLPP-UHFFFAOYSA-N 315.398 3.444 0 40 DGAB NC(=O)[C@H](OC(=O)Cc1cccc2ccccc12)c1ccccc1 14072327 GWBOZJKXIXBGGD-LJQANCHMSA-N 319.360 3.152 0 40 DGAB CCn1c(C2CC2)nn(CN2CCc3sccc3C2)c1=S 14160777 FPPJJULBBMKPSE-UHFFFAOYSA-N 320.487 3.389 0 40 DGAB CC(C)C(=O)Nc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1 14257764 YYDZMKGJRDHOAF-UHFFFAOYSA-N 321.446 3.140 0 40 DGAB COc1ccc(S[C@H](C)C(=O)NCCC(C)C)cc1OC 20108890 GJRAGQIIUWAHCX-GFCCVEGCSA-N 311.447 3.347 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2ccc(C)o2)cc(OC)c1OC 21839608 PIMDQISEDFXCSW-LLVKDONJSA-N 319.357 3.105 0 40 DGAB COc1ccc(OCCN(C)C(=O)Nc2ccccc2F)cc1 23055237 ACXKVFZPJLNHHV-UHFFFAOYSA-N 318.348 3.377 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc(OC)c(F)c2)cc1 32586237 HIJBIZCAOYMTIF-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)Nc2ccc3c(c2)NC(=O)CO3)C1(C)C 32843254 VOGXJNLLDHIONR-LRDDRELGSA-N 314.385 3.194 0 40 DGAB O=C(Nc1c(F)cccc1F)c1cccc(N2CCCC2=O)c1 36140950 LUINENOQDGSYEJ-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Nc1ccc(Br)cc1C(=O)OCc1ccccc1 39951690 XDDGEYLWQYBDCH-UHFFFAOYSA-N 306.159 3.388 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccsc1)c1ccc(C)cc1 40009924 ZYBIRSZYEJVRAN-AWEZNQCLSA-N 303.383 3.091 0 40 DGAB C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)Sc1ncccn1 40489545 PKJPCKKPJHQALK-QWHCGFSZSA-N 313.426 3.325 0 40 DGAB CCCN(CCC)C(=O)Nc1ccc(C(=O)NC2CC2)cc1 40526861 GQQZIKJBMZPMCP-UHFFFAOYSA-N 303.406 3.233 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCCO[C@@H]1CCCC[C@@H]1C 40534981 OMAXGUITLUHHRB-GXTWGEPZSA-N 308.422 3.432 0 40 DGAB Cc1ccc(CNc2ncnc3c2cnn3-c2ccccn2)cc1 41529168 NHHFAJHCQJAJOR-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB COC[C@H](C)CNC(=O)c1ccc(COc2ccc(F)cc2)o1 48343145 NOTUNHKXWVSNSE-GFCCVEGCSA-N 321.348 3.010 0 40 DGAB CC(C)Oc1ccc(NC(=O)c2ccc3c(c2)OCCO3)cc1 49226593 COLJFCDWFSCTQZ-UHFFFAOYSA-N 313.353 3.497 0 40 DGAB O=C1C[C@@H](c2ccccc2)N(Cc2ccc(Cl)s2)CCN1 52834491 YKWRYOKBYTVRPC-AWEZNQCLSA-N 320.845 3.465 0 40 DGAB CC(C)N(Cc1cccnc1)C(=O)NCCc1cccs1 62473219 KAONIKIHLLHUJX-UHFFFAOYSA-N 303.431 3.306 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCCN2CCC[C@@H]2C1 65554770 LNAMWOCMAYGDHR-CQSZACIVSA-N 317.820 3.132 0 40 DGAB Cc1cccc(C[S@](=O)[C@@H](C)C(=O)Nc2ccccc2F)c1 66297136 LYAGBOZYQDWDPG-WHEQGISXSA-N 319.401 3.410 0 40 DGAB CC(=O)c1c(C)nc(C)nc1SCc1cn2ccsc2n1 69593334 MWBDLTRNKOQMOX-UHFFFAOYSA-N 318.427 3.298 0 40 DGAB Cc1cc(NC(=O)NCCc2nc(C(C)(C)C)cs2)no1 69812921 SWNZMCDKSNNSRO-UHFFFAOYSA-N 308.407 3.101 0 40 DGAB CC(C)c1ccc(CSCC(=O)NC[C@@H]2CCOC2)cc1 71853632 VBRZNMHBHUJUHL-HNNXBMFYSA-N 307.459 3.196 0 40 DGAB O=C(NCCc1nc(-c2ccccn2)cs1)[C@H]1CC=CCC1 71893142 DJAPXXYMNHTAQN-ZDUSSCGKSA-N 313.426 3.220 0 40 DGAB CC(C)(C)[C@H](CC1CCCCC1)NC(=O)c1ccc(O)nn1 71908957 KYROIHGHCKOLML-AWEZNQCLSA-N 305.422 3.297 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2cnn(C(C)C)c2)c(C)c1 72239152 DPYXZFCCWADESL-AWEZNQCLSA-N 321.446 3.120 0 40 DGAB c1ccc(Cc2cncc([C@H]3CCCN3C3CCOCC3)n2)cc1 72355703 YNQWYEFFDZOLES-HXUWFJFHSA-N 323.440 3.383 0 40 DGAB CC(C)C(=O)Nc1ccc(Oc2ccc3c(c2)OCO3)nc1 72401751 FVTCGUXVLFQKMK-UHFFFAOYSA-N 300.314 3.197 0 40 DGAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2cccc(O)c2)C1 72404035 KCOJYXCNACJHTM-AWEZNQCLSA-N 309.325 3.354 0 40 DGAB CCOc1ccc(N2CCC[C@H](c3nc4ccccc4[nH]3)C2)nn1 76017818 WDKDAVAQASXINQ-ZDUSSCGKSA-N 323.400 3.136 0 40 DGAB CCn1cc(NC(=O)[C@H](C)Oc2ccc(SC)cc2)cn1 76018984 UGILQAZKBSWOPS-NSHDSACASA-N 305.403 3.031 0 40 DGAB O=C(c1ccco1)N1CCC[C@H](c2cc(C(F)(F)F)[nH]n2)C1 76059781 CICPLDRPJPCQRM-VIFPVBQESA-N 313.279 3.041 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76958387 BGWAFWJKUGAQAW-STQMWFEESA-N 322.405 3.022 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3sc(C)nc3C)c2)n[nH]1 80410461 CEMHBJJLLZUKRI-UHFFFAOYSA-N 313.386 3.106 0 40 DGAB CNC(=O)c1ccc(/C=C2/C(=O)Nc3cc(Cl)ccc32)cc1 83882269 ZXUNPRKJZFRAQU-RIYZIHGNSA-N 312.756 3.192 0 40 DGAB COCCOc1ccccc1NC(=O)N1C[C@H]2CC=CC[C@@H]2C1 83911937 IMMYCSJZAGKOCA-HUUCEWRRSA-N 316.401 3.142 0 40 DGAB CCC[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(C3CCCC3)C2)CC1 84740684 XQVONRFISBGWIX-CVEARBPZSA-N 320.477 3.206 0 40 DGAB C[C@@H](NCCS(=O)(=O)C(C)(C)C)c1ccc(F)cc1Cl 89629072 AIFKPXZWDRLJIR-SNVBAGLBSA-N 321.845 3.343 0 40 DGAB Cc1cn2c(n1)[C@@H](CNCc1csc(C(C)C)n1)CCC2 89702151 OAUXKTZEPKXBCL-CYBMUJFWSA-N 304.463 3.439 0 40 DGAB C[C@@H](O)C[C@H](CNC(=O)c1cccc2[nH]ccc12)c1ccccc1 89894880 PUXXLLFFTCWBIY-GDBMZVCRSA-N 322.408 3.452 0 40 DGAB CCN(Cc1nnc(-c2ccc(Br)o2)o1)C1CC1 89969408 JXUDUNOJEKPFFG-UHFFFAOYSA-N 312.167 3.076 0 40 DGAB CO[C@H](C)C(=O)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 91788896 RXPNGSIWWWWNLX-NOZJJQNGSA-N 301.308 3.308 0 40 DGAB CCCc1nnc(SCc2nc(-c3cccs3)n[nH]2)o1 93904470 VYXLBYKOEQJKIA-UHFFFAOYSA-N 307.404 3.161 0 40 DGAB CCOC[C@@H](C)NCC1(c2cccc(Cl)c2)CCOCC1 95420758 NLJKBCYQQSMFOM-CQSZACIVSA-N 311.853 3.403 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCCO[C@@H]1CCOC1 95423735 RLGZRDYXYHHJKP-WBVHZDCISA-N 317.429 3.218 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)c1ccc2nccnc2n1 95962019 MBJLAMKFPVSQRL-CYBMUJFWSA-N 308.385 3.101 0 40 DGAB O=C(Cn1ccnc1-c1cccc(C(F)(F)F)c1)NCC1CC1 95990775 KREZHXJRJVGQSV-UHFFFAOYSA-N 323.318 3.095 0 40 DGAB COCC[C@H](Nc1ccc(C(F)(F)F)nn1)c1ccco1 96002043 WGGLTGZDWBAVOT-VIFPVBQESA-N 301.268 3.278 0 40 DGAB CCn1cc2c(n1)CN(Cc1ccc(C)s1)C[C@H]2COC 96068682 DAGJJOWFPYSMQI-ZDUSSCGKSA-N 305.447 3.019 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2cccnc2)s1 96184640 FWYOTNZFOQNVDZ-ZWKOTPCHSA-N 313.470 3.300 0 40 DGAB O=C(NC1CC1)c1ccc2onc(-c3coc(C4CC4)n3)c2c1 96266479 UPOBMESJXLCYJZ-UHFFFAOYSA-N 309.325 3.252 0 40 DGAB COc1ccc([C@H](C)NCCn2ccnc2)c(Br)c1 96493332 BTQGBKKBKGUEAK-NSHDSACASA-N 324.222 3.005 0 40 DGAB CCC(CC)(CNC(=O)Cc1c[nH]c2c(C)cccc12)C(=O)O 97036619 CTXLAXUKGPWERP-UHFFFAOYSA-N 316.401 3.026 0 40 DGAB C[C@@H]1CCC[C@H](NCc2ccccc2CS(C)(=O)=O)[C@@H]1C 97080731 PDVMMRMQRQRNPA-CPUCHLNUSA-N 309.475 3.146 0 40 DGAB CC(C)[C@H](NC(=O)[C@@H](C)n1cncn1)c1ccc(Cl)cc1F 97081575 JYRNMHMUKVVODP-YGRLFVJLSA-N 324.787 3.145 0 40 DGAB Cc1cccc(NC(=O)N(C)Cc2cnn(-c3ccccc3)c2)n1 97142666 YWQLEWLLCMVAJZ-UHFFFAOYSA-N 321.384 3.240 0 40 DGAB CC(C)[C@H]1CCCCCN1C(=O)c1cnc2c(c1)ncn2C 97235375 UZTCBVMPMSVONE-OAHLLOKOSA-N 300.406 3.009 0 40 DGAB Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)c2cc(C)on2)cc1 98014123 SZBACGPWDSXYKL-NVXWUHKLSA-N 314.385 3.189 0 40 DGAB CC[C@@H](Oc1ccc(OC)cc1)C(=O)NCC1=CCCCC1 224156203 TWNIZZWXDGVTHO-QGZVFWFLSA-N 303.402 3.469 0 40 DGAB CC(=O)NC1CCC(N[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 225420660 RTJXJVPOBFPLOS-LWSMDNFKSA-N 300.446 3.360 0 40 DGAB Nc1ccc(NC(=S)NC(=O)c2ccccc2)c(Cl)c1 226238294 SJNUFLHNHYLDTK-UHFFFAOYSA-N 305.790 3.049 0 40 DGAB Cc1nc([C@@H]2CCCN2)nc2c1CCCN2CCc1ccccc1 257268265 MKXVKIVCALQTHC-SFHVURJKSA-N 322.456 3.205 0 40 DGAB Cn1cc(C(=O)N2CCCC[C@@H]2c2ccn[nH]2)c2ccccc21 257341389 ZKDJIGTXACDYSG-QGZVFWFLSA-N 308.385 3.269 0 40 DGAB Cc1nc(C(=O)N2CC3(CCC3)c3ccccc32)ccc1C(=O)O 263581635 XKPDRUWDMKVJOK-UHFFFAOYSA-N 322.364 3.170 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412867 UZHCDMIGFKTUQI-XNFNUYLZSA-N 323.440 3.268 0 40 DGAB CCc1ccc([C@@H]2CCN(C(=O)Cc3cnn(CC)c3)C2)cc1 554158544 ALKVQONYKXCSGI-GOSISDBHSA-N 311.429 3.024 0 40 DGAB O=C(Nc1ccc2ncccc2c1)c1ncnc2c1CCCC2 1888890357 YHDQTFIADXUKRR-UHFFFAOYSA-N 304.353 3.156 0 40 DGAB CCOC(=O)C1(C(=O)OCC)CC2(CC(c3ccccc3)C2)C1 1889228955 LMOJNEYVACMYOK-UHFFFAOYSA-N 316.397 3.457 0 40 DGAB Cc1c(Cl)cccc1-n1ccn(CCC(C)C)c(=O)c1=O 2298049585 HFCAYRRYQAERAK-UHFFFAOYSA-N 306.793 3.007 0 40 DGAB COc1cccc(C(=O)NCCc2c(C)[nH]c3ccccc23)c1 140464 XHPSHYLWRJMRPS-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB biogenic,in-vitro CC(C)CCC1=NN(C(=O)c2ccco2)[C@@](O)(C(F)(F)F)C1 269880 CTUARXDNOORRAW-ZDUSSCGKSA-N 318.295 3.169 0 40 DGAB CC(C)OC(=O)CSc1nnc(-c2ccccc2Cl)o1 323530 NWJSDMKCXINQBS-UHFFFAOYSA-N 312.778 3.434 0 40 DGAB COC(=O)c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 365518 UDWRVOMMIIPREH-UHFFFAOYSA-N 300.310 3.009 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1cccc2cccnc12 423484 BYCVTBBBXMBXHK-UHFFFAOYSA-N 312.394 3.450 0 40 DGAB O=C(Nc1ccccc1)c1cc2c(=O)n3ccccc3nc2s1 426878 HVAMJHJTMJDRMN-UHFFFAOYSA-N 321.361 3.162 0 40 DGAB COc1cc([C@@H]2OC[C@@]3(CO)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)ccc1O 519525 JVGXICUTXHMMNN-KVYJEULVSA-N 318.413 3.299 0 40 DGAB biogenic CN1O[C@H](COC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 1391380 LTTXAJCOWRSHBG-IRXDYDNUSA-N 315.344 3.360 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1cccc(C(=O)O)c1 1512964 SUCSBFBAQSYWQZ-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB CCN(CC(C)=C(Cl)Cl)S(=O)(=O)c1ccccc1 1684811 JGFSHXBNCBTPGZ-UHFFFAOYSA-N 308.230 3.406 0 40 DGAB Cc1ccc(S(=O)(=O)NCCCCc2ccccc2)cc1 1706781 FAMFDYMQWQMHLI-UHFFFAOYSA-N 303.427 3.296 0 40 DGAB CC1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)CC1 3230619 XHWHMFCRDAOPDK-NSCUHMNNSA-N 309.822 3.321 0 40 DGAB COc1ccc(CNC(=O)CCC(=O)c2cccs2)cc1 3275141 UIZIKGMYXNRAJW-UHFFFAOYSA-N 303.383 3.036 0 40 DGAB CN(Cc1cccc(F)c1)S(=O)(=O)c1ccccc1Cl 3331497 DIOIYOCLIMCWLI-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB Cn1c(SCc2ccccc2Cl)nc2c(c1=O)SCC2 4339309 GXLPQPIIRPCPLY-UHFFFAOYSA-N 324.858 3.374 0 40 DGAB Cc1csc2nc(CSc3ccc(F)cc3)cc(=O)n12 4414800 YYZVOKQEBLTHLW-UHFFFAOYSA-N 306.387 3.496 0 40 DGAB C[C@@H](CN(C)Cc1ccccc1)OC(=O)COc1ccccc1 4723159 HRYVAVKEGWKLRR-INIZCTEOSA-N 313.397 3.129 0 40 DGAB Cc1ccc([C@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc1 4944825 UCEHGENOEOQGME-CQSZACIVSA-N 305.333 3.278 0 40 DGAB O[C@@H]1C2CCN(CC2)[C@@H]1[C@@H](c1ccccc1)c1ccc(F)cc1 5063909 YDKJBGPGEVAPRN-XUVXKRRUSA-N 311.400 3.413 0 40 DGAB COc1cc(C(=O)OCc2cccc(C)c2)cc(OC)c1OC 6611509 QQMMMEQNVRQBLX-UHFFFAOYSA-N 316.353 3.378 0 40 DGAB CC(=O)Nc1ccc(NC(=S)NCc2ccc(F)cc2)cc1 7350375 LOWQMXHAOVIRTG-UHFFFAOYSA-N 317.389 3.271 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1cc(C(=O)O)ccc1C 7708918 ZAFUIFHPPSFSCY-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB CC(=O)Nc1ccc(/C=C2\N=C(c3ccccc3F)OC2=O)cc1 7778228 WJGWLLHSZZZBLB-YBEGLDIGSA-N 324.311 3.129 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)c1ccc(Cl)cc1F 7941703 CURPSZOUTOHYRC-UHFFFAOYSA-N 320.795 3.471 0 40 DGAB COc1ccc(C(=O)NCCSc2ccccc2)c(OC)c1 8361036 GFEZMFDGQYNEDP-UHFFFAOYSA-N 317.410 3.226 0 40 DGAB Cc1ccccc1OCC(=O)Nc1onc2c1C[C@@H](C)CC2 9135224 PSYWBPZRKBUMPH-NSHDSACASA-N 300.358 3.125 0 40 DGAB COc1ccc(OC)c(C2=NN=C(NC3CCCC3)SC2)c1 9609084 PIVGZYNWKJTRKJ-UHFFFAOYSA-N 319.430 3.043 0 40 DGAB Cc1ccc(OCCNC(=O)c2cn3ccc(C)cc3n2)c(C)c1 9888599 NFXFAOFUBLBLNN-UHFFFAOYSA-N 323.396 3.068 0 40 DGAB CC(=O)Nc1ccccc1OCC(=O)NC1CCCCCCC1 10801224 PLSADEXFDLSSMH-UHFFFAOYSA-N 318.417 3.253 0 40 DGAB C[C@@H](NC(=O)CCC1CCCC1)c1nc(-c2cccnc2)n[nH]1 12114726 LIRBCIODFHDJIU-GFCCVEGCSA-N 313.405 3.014 0 40 DGAB COc1cccc(C2(NC(=O)c3c(C)noc3C)CCCC2)c1 12155313 FIEJAYCJYMGGKW-UHFFFAOYSA-N 314.385 3.499 0 40 DGAB COCCNc1ncc(-c2ccccn2)c(-c2ccoc2C)n1 12222858 OJVKWOOQLYRYGG-UHFFFAOYSA-N 310.357 3.165 0 40 DGAB CCc1cccc(OCC(=O)Nc2nc3c(s2)CCC3)c1 12929647 LXNMWYLYDOYSAE-UHFFFAOYSA-N 302.399 3.212 0 40 DGAB O=C(CCSCc1ccc(C(=O)O)cc1)NC1CCCCC1 13465137 GRPVYYGELXTDHW-UHFFFAOYSA-N 321.442 3.457 0 40 DGAB Cn1ccc(NC(=O)c2cccc(OCc3ccccc3)c2)n1 18948859 BXQBMQLOTCBNHP-UHFFFAOYSA-N 307.353 3.251 0 40 DGAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCOCC1 19356990 NLNQBSOZEVFYLC-OAHLLOKOSA-N 310.397 3.013 0 40 DGAB CC(C)Oc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1 20141602 WERYPOUKRUXQHB-UHFFFAOYSA-N 313.353 3.353 0 40 DGAB CCC(=O)NC(=S)Nc1ccc(N2CCCCC2)c(F)c1 21577273 PPQOYIMAILOZOZ-UHFFFAOYSA-N 309.410 3.039 0 40 DGAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccc(F)c1 23230116 UDVRCJUEDGAYED-UHFFFAOYSA-N 319.810 3.361 0 40 DGAB CCCc1ccccc1NC(=O)c1ccc(-n2cnnn2)c(C)c1 24505252 DYORPQGEVHQPIB-UHFFFAOYSA-N 321.384 3.176 0 40 DGAB CC(=O)c1ccccc1OCCSc1nc(C(C)C)n[nH]1 24984514 FYIHCWAZLGAFAO-UHFFFAOYSA-N 305.403 3.302 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)N1CCC(c2ccccc2)CC1 32367062 SSYIZDINIPNXSZ-UHFFFAOYSA-N 317.820 3.402 0 40 DGAB Cn1c2ccccc2c2nnc(SCc3ccccn3)nc21 35315119 QYDTZJNXZUTRNW-UHFFFAOYSA-N 307.382 3.204 0 40 DGAB Cc1ccc(NC(=O)/C=C/c2cc3ccccc3n(C)c2=O)cc1 36625776 SYJXWUPJIQDVHX-FMIVXFBMSA-N 318.376 3.499 0 40 DGAB CSCc1csc(NC(=O)NCc2ccc(F)cc2)n1 36662221 LZQAQBHRVSWOSM-UHFFFAOYSA-N 311.407 3.467 0 40 DGAB Cc1nn(C(C)C)c(C)c1NS(=O)(=O)c1ccc(F)cc1 38103974 MYOOANOGUNCTFV-UHFFFAOYSA-N 311.382 3.021 0 40 DGAB CCCn1c2ccccc2c2nnc(-n3nc(C)cc3C)nc21 44965648 WUZLJAULPINVRW-UHFFFAOYSA-N 306.373 3.192 0 40 DGAB Cc1ccccc1NC(=O)C[C@H](NC(N)=O)c1ccccc1C 48332424 OLGAQTYGUCKEQF-INIZCTEOSA-N 311.385 3.042 0 40 DGAB CCOC(=O)c1cnc2ccccc2c1NCc1cc(C)on1 50931155 LCBNMMPACCYWJT-UHFFFAOYSA-N 311.341 3.320 0 40 DGAB CCc1cc(NC2CCC(C(F)(F)F)CC2)n2ncnc2n1 51650270 DHSVEWPOLPBGDD-UHFFFAOYSA-N 313.327 3.220 0 40 DGAB COc1ccc([C@@H](O)CNCc2ccc(F)c(Cl)c2)cc1 53157655 LLWKTVWHHUCNTP-INIZCTEOSA-N 309.768 3.311 0 40 DGAB CC(=O)Nc1c(C)ccc(NC(=O)CC(C)(C)CC(=O)O)c1C 55151216 HMORBJZXWYRYSD-UHFFFAOYSA-N 320.389 3.091 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3CCO[C@H]4CCC[C@H]43)cs2)o1 56197913 NUOPLGPIOQPSKI-OLZOCXBDSA-N 318.398 3.105 0 40 DGAB c1cnc(N2CCN(Cc3csc4ccccc34)CC2)nc1 57327725 UWNMVCZMPAQBOV-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB O=C(Cc1cccs1)NCc1ccc(CN2CCCC2)cc1 58142815 VJTAOJURIYHWRX-UHFFFAOYSA-N 314.454 3.203 0 40 DGAB CC(C)c1cc(C(=O)N(C)Cc2ccncc2)nn1C(C)(C)C 58158599 AONHRENSQZWETC-UHFFFAOYSA-N 314.433 3.429 0 40 DGAB Cc1cc([C@@H](C)NCc2c(C)nn(C)c2N(C)C)c(C)s1 58391810 YMSPJTLUETVBLW-LLVKDONJSA-N 306.479 3.324 0 40 DGAB CC[C@H](Sc1nnnn1C[C@H]1CCCO1)c1ccccc1 64368175 NNYKVZOJDVMCQT-KGLIPLIRSA-N 304.419 3.096 0 40 DGAB CCc1noc(C2(NC(=O)c3cccc(F)c3)CCCCC2)n1 65257761 BYKQFSXUGUXGJY-UHFFFAOYSA-N 317.364 3.361 0 40 DGAB C[C@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 65491988 FMPJPBGQYXJZRN-SWLSCSKDSA-N 318.442 3.138 0 40 DGAB CCc1noc(C)c1C(=O)N1C[C@H](C)O[C@@H](c2ccccc2)C1 65498399 ZLKMQSNZEDQVRS-BLLLJJGKSA-N 314.385 3.148 0 40 DGAB CN(C)CCSc1nnc(Cc2c(F)cccc2Cl)o1 66257625 IRZMNPWDKBZUAS-UHFFFAOYSA-N 315.801 3.107 0 40 DGAB Cc1ccc(CNC(=O)c2snc(-c3ccccc3)c2N)o1 67334695 SJQIKZRPSHYWMX-UHFFFAOYSA-N 313.382 3.224 0 40 DGAB COc1ccc(F)cc1CS[C@H](C)C(=O)Nc1cc(C)no1 69893189 BXTDFJGVASXRDO-SNVBAGLBSA-N 324.377 3.391 0 40 DGAB Cc1cnn(CCNCc2csc(-c3ccc(C)o3)n2)c1 69976208 MRTXFHXYLYKCFH-UHFFFAOYSA-N 302.403 3.006 0 40 DGAB CCSc1ccc([C@@H](C)NC(=O)CCc2cnn(C)c2)cc1 70010091 UICNZTSIOQOHII-CYBMUJFWSA-N 317.458 3.342 0 40 DGAB COc1cc(C)sc1C(=O)N[C@H](C)c1nc2ccccc2[nH]1 70846601 NJCOSAAOUWSNAN-SNVBAGLBSA-N 315.398 3.432 0 40 DGAB Nn1c(SCc2ccc(Cl)cc2)nc2ccccc2c1=O 71327703 UIDYBDNIEVFOCK-UHFFFAOYSA-N 317.801 3.056 0 40 DGAB Cc1ccc(N2C(=O)[C@H](N)[C@H]2c2cccc(Cl)c2)cc1C 72227864 ZPDUVLYBGIBTJN-HZPDHXFCSA-N 300.789 3.372 0 40 DGAB COc1ccccc1C(=O)Nc1c(C)cc(-n2cnnc2)cc1C 72228911 IVJJLTSCTOPCEA-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCCc2cc3ccccc3o2)cc1 72292384 POHYGYLCSUBSJF-UHFFFAOYSA-N 322.364 3.364 0 40 DGAB Cc1ncsc1C(=O)Nc1cc(-c2ccccc2F)no1 75127859 GCDHZRNJFYKTRL-UHFFFAOYSA-N 303.318 3.498 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1[C@@H](C)c1nc(C2CC2)no1 75132407 VECPKKDLHKVMFX-GXTWGEPZSA-N 315.421 3.195 0 40 DGAB c1ccc(Cc2nnc(CSC[C@H]3CCCCO3)o2)cc1 78935951 HGDHQFAJKFTEPW-CQSZACIVSA-N 304.415 3.463 0 40 DGAB CO[C@H](C(=O)N[C@@H](C)CCc1ccc(O)cc1)c1ccccc1 84637492 CJYCTLMHJTVXTC-KSSFIOAISA-N 313.397 3.217 0 40 DGAB O=C(Nc1ccnn1CC1CC1)c1ncoc1-c1cccs1 89800057 PGTXQMWTOLSQEC-UHFFFAOYSA-N 314.370 3.262 0 40 DGAB C[C@H](N[C@H](C)c1cnn(C)c1)c1nc2cc(Cl)ccc2n1C 91346578 VFHOZUGOHIGFIS-MNOVXSKESA-N 317.824 3.372 0 40 DGAB O=C1CC[C@H](N[C@H]2CCCSc3ccc(Cl)cc32)CN1 95968070 IIFKTVBSKKYWEM-AAEUAGOBSA-N 310.850 3.135 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccnc(C)c2Cl)ccc1F 96004197 WRNPLSSPWJUNDE-UHFFFAOYSA-N 314.769 3.292 0 40 DGAB CC(C)c1nccn1C[C@H]1CCCN1C(=O)Nc1cccnc1 96407785 VISFLLHXAQMIBU-OAHLLOKOSA-N 313.405 3.098 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](C)CCN2C(=O)c2cn(C)nc2C)o1 96433206 PXZRQCLTNPYVHO-NHYWBVRUSA-N 301.390 3.243 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)NC[C@H](O)C(C)C 96435334 VBEVCMLCOIHMEM-INIZCTEOSA-N 308.422 3.058 0 40 DGAB CCSc1ccc(Cl)cc1C(=O)NCCc1cnn(C)c1 96460185 DVQIEDPRLPRVIJ-UHFFFAOYSA-N 323.849 3.158 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)NCc1ccccc1Cl 96658902 MEZLAKPCTAVFQU-UHFFFAOYSA-N 313.781 3.266 0 40 DGAB O=C(Nc1ccc2c(c1)CNCC2)c1c(F)c(F)cc(F)c1F 97019658 NMCFICQEGNMAFC-UHFFFAOYSA-N 324.277 3.141 0 40 DGAB CN(CCc1ccc(Br)cc1)[C@@H]1CCCC[C@@H]1O 97021893 SXOQMRVJOCWDSH-CABCVRRESA-N 312.251 3.227 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CCC[C@H](NCc2cncs2)C1 97095779 FFJLTUBFEBEPSM-RYUDHWBXSA-N 311.451 3.069 0 40 DGAB Cc1ccoc1C(=O)N[C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 97104000 YHGGYRXOYYLKBH-OLZOCXBDSA-N 322.405 3.154 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC[C@@H](C)O1)c1ccccc1C(F)(F)F 97228220 BGSOWNQCNWFHIQ-NRUUGDAUSA-N 301.308 3.450 0 40 DGAB CN(C)Cc1cccc(NC(=O)c2cc(C(C)(C)C)[nH]n2)c1 97358690 LWGKAIKSHCLZPG-UHFFFAOYSA-N 300.406 3.021 0 40 DGAB C[C@H]1CN(C)c2ccccc2CN1C(=O)N[C@H](C)c1ccccn1 108458608 VEADWOXUWLWZLV-LSDHHAIUSA-N 324.428 3.193 0 40 DGAB COc1c(CNc2ccc(SC(F)F)nc2)c(C)nn1C 181872859 JUUZJRJWKUOKIB-UHFFFAOYSA-N 314.361 3.059 0 40 DGAB CC[C@@]1(CO)CCCN1C(=O)Nc1cccc(N(C)C(C)C)c1 190160694 OOHXOUVNQSHPOP-SFHVURJKSA-N 319.449 3.300 0 40 DGAB CCc1nc2ccccc2n1C1CCN(CCNC(C)C)CC1 193484137 DQMKOMBSVUBJDJ-UHFFFAOYSA-N 314.477 3.234 0 40 DGAB O=C(Nc1ccc(Br)cc1)c1cnc(C2CC2)nc1 222594902 PAHPKACZQKWAFL-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 225229285 NZXPBGFQXNBDBW-GDBMZVCRSA-N 306.425 3.198 0 40 DGAB CCOC(=O)c1ccc(Nc2ccc(OC)cc2OC)c(N)c1 225432628 NVEFMGWKBVNMEM-UHFFFAOYSA-N 316.357 3.206 0 40 DGAB Cc1ccnc(NC(=S)NCCCOC2CCCCC2)c1 225618758 BQGXVWBDBWMRSK-UHFFFAOYSA-N 307.463 3.416 0 40 DGAB Cn1nc(OCc2ncc(C(C)(C)C)o2)c2cc(N)ccc21 225771554 OXOAQMAQEYBLDV-UHFFFAOYSA-N 300.362 3.020 0 40 DGAB c1cncc(CO[C@H]2CSC3(C2)CN(C2CCCC2)C3)c1 247918859 ZZPGZJVJQKMHKG-MRXNPFEDSA-N 304.459 3.101 0 40 DGAB CC(C)N1C[C@@H](c2cc(F)cc(F)c2)[C@@]2(CCCCC(=O)N2)C1 257238075 HJLYQWMIKQHOQO-FUHWJXTLSA-N 322.399 3.201 0 40 DGAB COc1cccc(CN2CCC[C@@H](c3ccnc(C)n3)C2)c1F 257295877 RAFXUOBLBSBZHR-CQSZACIVSA-N 315.392 3.312 0 40 DGAB O=C(/C=C/[C@H]1CCOC1)N[C@@H]1C[C@H]1c1ccc(Cl)c(F)c1 493357352 RZYNTGUTODZSJE-UEYYNJDESA-N 309.768 3.044 0 40 DGAB C[C@H](CC(=O)N[C@H]1CCCc2nc[nH]c21)Cc1cccc(F)c1 585122671 XEYCOEILENFKEV-LRDDRELGSA-N 315.392 3.311 0 40 DGAB O=C(c1ccc(OCc2ccc3nonc3c2)cc1)N1CCCC1 585135277 RDQLSRGAHNQOMK-UHFFFAOYSA-N 323.352 3.038 0 40 DGAB O=C(Cc1cccs1)NCCn1nc(C2CC2)cc1C1CC1 585300106 KANVCCYTBQKEQR-UHFFFAOYSA-N 315.442 3.058 0 40 DGAB Cc1ccc(CCC(=O)N[C@H]2CCC23CCOCC3)cc1F 585408304 INBQKYHVMFRMFT-INIZCTEOSA-N 305.393 3.142 0 40 DGAB CC(C)Oc1cccc(C(=O)N2CC[C@@H]3O[C@@H](C)C[C@H]3C2)c1 1565550733 HKEAHZXNCSBOAN-QRTARXTBSA-N 303.402 3.113 0 40 DGAB O=C(O)CSc1nnc(-c2ccco2)n1C1CCCCC1 244777 KGAMZALMAUKYRZ-UHFFFAOYSA-N 307.375 3.220 0 40 DGAB CC(C)OC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 411315 VGXHJTVOCDQFMO-UHFFFAOYSA-N 312.778 3.434 0 40 DGAB Cc1ccccc1NC(=O)CSCC(=O)Nc1ccccc1 581493 CHENAJFCKQGJDF-UHFFFAOYSA-N 314.410 3.305 0 40 DGAB NC(=O)c1c(Cl)c(Cl)c(Cl)c(Cl)c1C(=O)O 1707734 VLHPTNVVTJTDHN-UHFFFAOYSA-N 302.928 3.097 0 40 DGAB CCN(CC)C(=O)Nc1cccc(OC(=O)NC(C)(C)C)c1 1756325 HRCYVBMAOKHGQQ-UHFFFAOYSA-N 307.394 3.447 0 40 DGAB CCN(CC)[C@H](CNc1nccc(OC)n1)c1ccsc1 97286646 ZPZDBSPZNLAEGK-CYBMUJFWSA-N 306.435 3.042 0 40 DGAB COc1ccc(CNC(=O)Nc2ccc(Cl)cc2C)cn1 43173009 FMIJOVKOVIHZLD-UHFFFAOYSA-N 305.765 3.374 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc2ccccc2c1)c1ccccn1 6025097 LCVYVRHUHGHACD-ZDUSSCGKSA-N 312.394 3.274 0 40 DGAB Cc1ccccc1CNC(=O)COC(=O)c1ccc(Cl)cc1 7192759 RLWRBXLGZNMVQU-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB COc1ccc(N[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)cc1 101275393 NZYAQDDMJOLCGH-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1CCO[C@H](C2CC2)C1)c1ccsc1 97378540 JUKVQXUEYZITKN-DFBGVHRSSA-N 308.447 3.108 0 40 DGAB CC(C)c1cc(C(=O)N2CCC(Oc3ccccc3)CC2)n[nH]1 55976482 OJTQJYNZOVASDP-UHFFFAOYSA-N 313.401 3.217 0 40 DGAB CC(=O)c1ccc(C)cc1OCC(=O)N[C@H]1CCCC[C@H]1C 12682594 MHOSFFQMKRGNRB-CJNGLKHVSA-N 303.402 3.271 0 40 DGAB CC[C@H](Oc1cc(C)cc(C)c1)C(=O)N1C[C@@H](C)O[C@H](C)C1 35805628 XTDJRHNMWOHEGI-INMHGKMJSA-N 305.418 3.097 0 40 DGAB O=c1c2ccccc2cnn1CN(Cc1cccc(F)c1)C1CC1 58246789 BPIAJBDUWANMKB-UHFFFAOYSA-N 323.371 3.158 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)C[C@@H]2C=CCC2)CC1 58331112 VKEOEBJPPUEFBF-CQSZACIVSA-N 313.397 3.170 0 40 DGAB Cn1c(SCc2ccccc2)nnc(Nc2ccccc2)c1=O 28526886 ZHNCHQWZRUXGBL-UHFFFAOYSA-N 324.409 3.211 0 40 DGAB O=C(Nc1nc2ccccc2s1)[C@H]1COc2ccccc2C1 12917389 KCRROYXXVFXONG-GFCCVEGCSA-N 310.378 3.486 0 40 DGAB COC(=O)C1(NC(=O)c2cc3ccccc3o2)CCCCCC1 12923597 FUGJQEKOLCGKIK-UHFFFAOYSA-N 315.369 3.429 0 40 DGAB Fc1ccc(-n2cc(/C=C/c3ccnnc3)nn2)cc1Cl 96008269 AMXPYZLZXMGJBY-OWOJBTEDSA-N 301.712 3.020 0 40 DGAB Cc1cc(S(=O)(=O)Nc2ccc(Cl)cn2)ccc1Cl 3991868 DEJKXKUCJSFDJN-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB COC(=O)c1ccc(Oc2c(F)c(N)nc(F)c2Cl)cc1 13691400 AKNAJRGGLKQHNR-UHFFFAOYSA-N 314.675 3.174 0 40 DGAB CC[C@@H](C)C(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 13843257 HEGYUYUJZMBOTD-SNVBAGLBSA-N 303.387 3.380 0 40 DGAB CC(=O)Nc1ccc(O[C@H](C)C(=O)Nc2ccc(F)cc2)cc1 5347143 YGLDKTHFFIWAAO-LLVKDONJSA-N 316.332 3.190 0 40 DGAB COCCCNC(=O)c1ccc(Oc2ccc(F)cc2)cc1 14186775 YJHYTTGBPIAKDL-UHFFFAOYSA-N 303.333 3.384 0 40 DGAB CCOC(=O)c1sc(Nc2cc(OC)ccc2OC)nc1C 61802282 ACKCJBSZWNEKCE-UHFFFAOYSA-N 322.386 3.389 0 40 DGAB O=C1O[C@@H](c2ccc(Cl)cc2C(=O)O)Nc2ccccc21 4710272 QGJTZCGEGQYTAR-ZDUSSCGKSA-N 303.701 3.319 0 40 DGAB O=C(Cc1ccc(Cl)cc1)NCCc1nc2ccccc2[nH]1 5615202 FHYQBLFMDJQONG-UHFFFAOYSA-N 313.788 3.118 0 40 DGAB CCCNc1ncnc2sc3c(c12)[C@@H](C(=O)OCC)CC3 19797287 JPGNNYDKLOUZNC-VIFPVBQESA-N 305.403 3.106 0 40 DGAB O=C(O)c1ccnc(-c2ccnc(-c3c[nH]c4ccccc34)n2)c1 71615221 SEACOJWMAZIIOL-UHFFFAOYSA-N 316.320 3.385 0 40 DGAB O=S(=O)(NNc1ccccc1)c1cccc(Cl)c1Cl 9537085 XNJQTGYMUBWFCU-UHFFFAOYSA-N 317.197 3.299 0 40 DGAB CCc1ccc(-c2noc(CSc3nnc(N)s3)n2)cc1 8293653 LGCFYWKSYQYXAQ-UHFFFAOYSA-N 319.415 3.025 0 40 DGAB COc1ccc(C(C)=O)cc1C[S@](=O)c1ccccc1OC 69326208 TUDFFSLITDHWFI-JOCHJYFZSA-N 318.394 3.214 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)CCc2ccco2)n1 71865478 LYCIJVIFMLMQGF-MRXNPFEDSA-N 315.417 3.107 0 40 DGAB COc1ccc(NC(=O)Cc2cc(C)ccc2OC)c(OC)c1 8427907 JSZYIEYTVCJPEG-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=C1[C@H](Sc2nncs2)CCN1c1ccccc1Cl 71893911 OWJPJTFBMJUCSJ-SNVBAGLBSA-N 311.819 3.089 0 40 DGAB CC(C)c1n[nH]c(SCc2nc(-c3ccc(F)cc3)no2)n1 8756184 RJZPIWLLAMLCHG-UHFFFAOYSA-N 319.365 3.410 0 40 DGAB Cc1cccc(OC[C@H](C)NC2CCN(CC(F)F)CC2)c1 95967394 ZMXMBDMVVBJRMA-AWEZNQCLSA-N 312.404 3.081 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)c1n[nH]c(=O)c2ccccc12 9751127 SUCWSBJFBGPVON-UHFFFAOYSA-N 313.744 3.137 0 40 DGAB Cc1cc([C@@H]2CCCN(Cc3nc4c(F)cccc4[nH]3)C2)n[nH]1 84111286 CCACLMQJCDAJOW-GFCCVEGCSA-N 313.380 3.113 0 40 DGAB Cc1cc(=O)oc2cc(OCCSc3nncs3)ccc12 72293305 GBXLTAPAWZDVAI-UHFFFAOYSA-N 320.395 3.124 0 40 DGAB Cc1nnc2n1C[C@H](NCc1cc(-c3ccccc3)cs1)CC2 97199406 NNEXEUDPUWJMOM-MRXNPFEDSA-N 324.453 3.420 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1cccc([S@](C)=O)c1 97104806 OGSLEJGKZIVGEL-OAQYLSRUSA-N 304.371 3.082 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)[C@H]1CCN(C2CCCCC2)C1 72313290 CSQBDUMVACLGMJ-CABCVRRESA-N 304.434 3.454 0 40 DGAB COc1cccc(C2=CCN(Cc3nnc(C4CC4)o3)CC2)c1 89469698 LLLUCFDDHBEDLK-UHFFFAOYSA-N 311.385 3.245 0 40 DGAB O=C1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@@H]43)cc2N1 86299665 IWYLIPYHHBAVCK-CJNGLKHVSA-N 313.401 3.368 0 40 DGAB O=C(O)c1ccc(/C=C/c2cnc(-c3cccnc3)s2)nc1 89794117 QLEWHRQMYXHDFW-AATRIKPKSA-N 309.350 3.469 0 40 DGAB CC(=O)N1CC[C@@H](NCc2csc3ccccc23)[C@@H](C)C1 89937670 VHVFHTLSFCAHDU-BLLLJJGKSA-N 302.443 3.248 0 40 DGAB CCCCc1nnc2n1N=C(c1ccc(OCC)cc1)CS2 27525422 DRYCQSDVJMSPBL-UHFFFAOYSA-N 316.430 3.378 0 40 DGAB CC(C)c1nnc(CN2CCCN(C)c3ccc(F)cc32)o1 77359706 AGFGSGOTKOULOA-UHFFFAOYSA-N 304.369 3.179 0 40 DGAB Cc1cc(N2CCC[C@H]2c2cccc(-n3ccnc3C)n2)ncn1 72355597 YUGLCOCIHATUBI-INIZCTEOSA-N 320.400 3.016 0 40 DGAB Cc1ccccc1O[C@H](C)C(=O)NCCCN1CCC(C)CC1 216452934 XPLIOTPZIKCVPR-QGZVFWFLSA-N 318.461 3.001 0 40 DGAB CCCCS[C@H](C)C(=O)Nc1cccc(C[S@](C)=O)c1 79360798 YDZMVFRMDBVBJH-MPBGBICISA-N 313.488 3.425 0 40 DGAB O=C(NCCCNc1ccnc2cc(Cl)ccc12)C1CC1 222969837 QLHUFPRCFOUGEN-UHFFFAOYSA-N 303.793 3.216 0 40 DGAB Cc1ccc(/C=C/CC(=O)Nc2ccc(CC(N)=O)cc2)cc1 84742713 GQWCDYCQTLRWEA-NSCUHMNNSA-N 308.381 3.065 0 40 DGAB COc1ccc(C)cc1NCCC(=O)Nc1ccc(O)cc1F 195567801 NALVPGJXEUMANF-UHFFFAOYSA-N 318.348 3.289 0 40 DGAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCCN(C)C)cc1 225611803 PGBHUIUJHOKRJR-SFHVURJKSA-N 322.449 3.161 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@H](CC)C(=O)N[C@H](C)CC 222622878 RBWDXVQCQXUZOG-NVXWUHKLSA-N 318.461 3.161 0 40 DGAB CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NCc1c(C)noc1C 195531058 ZGJAYRXKNARYPN-XFJVYGCCSA-N 308.422 3.282 0 40 DGAB CC(=O)c1cccc(Nc2ccc(N)cc2C(=O)NC2CC2)c1 225483623 HWUZOTMRWQDBFO-UHFFFAOYSA-N 309.369 3.107 0 40 DGAB C[C@H](CCc1ccc(O)cc1)N[C@@H]1CCO[C@@]2(CCSC2)C1 195566269 DARSEEMOAJENPX-KYJSFNMBSA-N 321.486 3.358 0 40 DGAB Cn1ncc2c1[C@H](COCC1CC1)CN(Cc1ccsc1)C2 96198270 VUBZJGPEXNLPEH-INIZCTEOSA-N 317.458 3.008 0 40 DGAB CCn1cc(C(=O)N(Cc2ccoc2)C2CCCCC2)cn1 96423069 QTHMQYIJRPHYLR-UHFFFAOYSA-N 301.390 3.471 0 40 DGAB CC(C)n1cc(CNc2ccc(F)c(-c3nc[nH]n3)c2)cn1 585118231 HOZHRRINVMKHEE-UHFFFAOYSA-N 300.341 3.000 0 40 DGAB O=C(C1CCC1)N1CCC[C@@H]1c1cccc(CN2CCCC2)n1 257256462 KLPMGTCJPVYEQU-GOSISDBHSA-N 313.445 3.141 0 40 DGAB C[C@H](C(=O)O)C(=O)N1CCCC[C@@H]1CCCc1ccccc1 263552962 MGHRNMMHZFNMRD-GOEBONIOSA-N 303.402 3.111 0 40 DGAB O=C(/C=C/c1ccoc1)Nc1ccc2c(c1)N(C(=O)C1CC1)CC2 96103583 OCXJDBQSJOUZOO-LZCJLJQNSA-N 322.364 3.231 0 40 DGAB CN(C)C(=O)[C@@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953025710 UBANZYNJYZDKTI-SFHVURJKSA-N 314.454 3.168 0 40 DGAB O=C(Nc1ccc(-c2nnco2)cc1)c1cc(Cl)ccc1O 72289964 AJVDODGVKHGXDB-UHFFFAOYSA-N 315.716 3.348 0 40 DGAB CN(Cc1cc2ccccc2o1)C(=O)NCc1ccccc1CO 83862047 GQRQZFDGWSJIKN-UHFFFAOYSA-N 324.380 3.267 0 40 DGAB C[C@H](CCc1ccc(O)cc1)NCc1cc2ccccc2[nH]c1=O 78998488 WLLJJPVYKZHKOS-CQSZACIVSA-N 322.408 3.345 0 40 DGAB Cc1ccc(O)c(CN2CCC(OC3CCCCC3)CC2)n1 92736000 XSISRVRNIOARHQ-UHFFFAOYSA-N 304.434 3.409 0 40 DGAB FC(F)(F)[C@@H](Cc1ccncc1)NC[C@H]1Cc2ccccc2O1 95419705 SDQIXHZZIPBAFI-GDBMZVCRSA-N 322.330 3.148 0 40 DGAB Cc1ccc(NC(=O)c2coc(Br)c2)cc1C(=O)O 95970805 XXWLSHOLUWXVQA-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB CCCCSc1nnc(CSc2nc(C)cc(C)n2)n1C 2706246 UDPSDQLCWLMMMI-UHFFFAOYSA-N 323.491 3.406 0 40 DGAB C[C@H]1CN1C(=O)Nc1cccc2c(NC(=O)N3C[C@H]3C)cccc12 17312231 NYKKLLVRAIGAAC-ZKVYFYTRSA-N 324.384 3.312 0 40 DGAB O=C1S/C(=C/c2ccccc2)C(=O)N1CNc1ccccn1 19118586 HKHHYUJIBHYMRN-JLHYYAGUSA-N 311.366 3.188 0 40 DGAB CN(CCN1CCOCC1)C(c1ccccc1)c1ccccc1 19366773 GKJPZQVNEAGACD-UHFFFAOYSA-N 310.441 3.040 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ccc(F)cc2)cc1 3607875 VTGHDPBNICCEIQ-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2ccc(C)c(F)c2)cc1 5702010 QGCCEPHTTMDINH-UHFFFAOYSA-N 301.317 3.354 0 40 DGAB O=C(NCCc1ccc2c(c1)OCCO2)c1ccc(Cl)cc1 6278012 ROIASOAAZUDGLY-UHFFFAOYSA-N 317.772 3.084 0 40 DGAB CN(Cc1cccs1)S(=O)(=O)c1ccc(F)c(Cl)c1 3412299 IKEWLNNYCDMMFI-UHFFFAOYSA-N 319.810 3.361 0 40 DGAB Cc1cc(C)cc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@@H]2C)c1 4783546 LKWUFTVWLVQDEP-ZBFHGGJFSA-N 317.433 3.262 0 40 DGAB CCc1cccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)c1 12414900 GZPIDHWUNCCSIT-UHFFFAOYSA-N 308.337 3.048 0 40 DGAB Fc1ccccc1CN1CCN(Cc2nc3ccccc3[nH]2)CC1 35598326 JERIPDFJCYYELF-UHFFFAOYSA-N 324.403 3.020 0 40 DGAB Cc1oncc1C(=O)NC[C@@H](c1ccco1)c1cccs1 585147671 CSKPTHBWYRRDNA-LBPRGKRZSA-N 302.355 3.199 0 40 DGAB Cn1ccnc1CN1CCSC[C@H]1c1ccc(Cl)cc1 96407698 OJTJPIQPKXTFCO-AWEZNQCLSA-N 307.850 3.364 0 40 DGAB CC(C)Oc1ccc(CNC(=O)N[C@@H](C)c2cccs2)cn1 40120691 FJBXLOFTFHTBPB-LBPRGKRZSA-N 319.430 3.491 0 40 DGAB CCCC(=O)N1CCC[C@@H](C(=O)Nc2cc(C)cc(C)c2)C1 40156613 GATFVRMOTQGCMK-OAHLLOKOSA-N 302.418 3.281 0 40 DGAB CC[C@H]1CCc2nc(NC(=O)Cc3c(C)noc3C)sc2C1 40145872 HWGKOBGXLHVYTI-NSHDSACASA-N 319.430 3.444 0 40 DGAB O=C(c1ccoc1)N1CCC(NCc2ccc(Cl)s2)CC1 30668640 PAYWPYFNVNLDDM-UHFFFAOYSA-N 324.833 3.389 0 40 DGAB O=c1cc(-c2ccccc2)c2c(O)n(-c3ccccc3)nc2[nH]1 101647340 CUXGRFQLEYADMJ-UHFFFAOYSA-N 303.321 3.086 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)C(=O)c1cccc(NC(N)=O)c1 32841867 JZISBZMQUPIOJR-NSHDSACASA-N 315.348 3.150 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1C 541329 ZEKQNQDNJUREEV-INIZCTEOSA-N 312.369 3.121 0 40 DGAB biogenic O=C(NC[C@@H]1CCCO1)c1cc(-c2ccco2)nc2ccccc12 46870 UCXSQRYCERRUHA-ZDUSSCGKSA-N 322.364 3.404 0 40 DGAB C[C@H]1CCCCN1C(=O)c1ccc(CSc2nccn2C)o1 47427690 GUCWMUISSHEZCB-LBPRGKRZSA-N 319.430 3.320 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)Nc1ccccc1Cl 413868 SYMQKYUGPIRRED-UHFFFAOYSA-N 304.733 3.390 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)N[C@@H](C)CCc2ccco2)c1 47742562 VFJANAGJAWECJK-LSDHHAIUSA-N 301.386 3.493 0 40 DGAB O=C(O)[C@H]1CCCC[C@@H]1C(=O)N1CCC(c2ccccc2)CC1 575981 CSQVMZHWIQNHBW-IRXDYDNUSA-N 315.413 3.284 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 968823 NJZBHIAYYLOCJA-DPMMWBKBSA-N 313.397 3.086 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)N[C@@H](C)c2nccs2)c1 78602464 VKGSWDMMLQDHFB-ZDUSSCGKSA-N 319.430 3.199 0 40 DGAB O=C1NCCCC[C@H]1SCc1csc(-c2ccco2)n1 78758349 UOOOJWJTAJKAKD-GFCCVEGCSA-N 308.428 3.305 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N[C@H](C)[C@H]3CCOC3)s2)o1 97081312 MOIGLTGAVQAMOI-NEPJUHHUSA-N 305.399 3.471 0 40 DGAB CC(=O)N[C@H](C(=O)Nc1ccc(-c2ccccc2)cc1)C(C)C 6425003 MWUWNKVGUBSACK-SFHVURJKSA-N 310.397 3.453 0 40 DGAB CCn1c(CCCNC(=O)c2ccccc2)nc2ccccc21 6871246 PTLOOICPJQLBOQ-UHFFFAOYSA-N 307.397 3.419 0 40 DGAB COC(=O)c1ccc(NC(=S)N[C@H]2CCCC[C@H]2C)cc1 8685872 RUDVHNAWAFHILW-RISCZKNCSA-N 306.431 3.338 0 40 DGAB CC(C)[C@H](NC(=O)N1CCS[C@@H](C)[C@@H]1C)c1ccncc1 110601930 ZSUPHJNTDZEIKH-YDHLFZDLSA-N 307.463 3.314 0 40 DGAB S=C(c1ccccc1OCc1ccccc1)N1CCOCC1 9188933 VYUFMPRTAAYJBU-UHFFFAOYSA-N 313.422 3.273 0 40 DGAB CC(=O)c1ccc(C)cc1OCC(=O)N[C@@H]1CCCC[C@H]1C 12682607 MHOSFFQMKRGNRB-CZUORRHYSA-N 303.402 3.271 0 40 DGAB C[C@@H](C(=O)N[C@H](C)c1ccccc1)N1CCc2sccc2C1 10094405 YXRHGFBUECMXDZ-KGLIPLIRSA-N 314.454 3.372 0 40 DGAB Cc1ccc(NC(=O)c2ccco2)cc1NC(=O)C(F)(F)F 57316821 JWMCILDRJSAVIM-UHFFFAOYSA-N 312.247 3.341 0 40 DGAB O=S(=O)(Cc1ccccc1F)N[C@@H]1CCCc2ccccc21 44848190 RTFPITJGPKTFHD-QGZVFWFLSA-N 319.401 3.323 0 40 DGAB COCCN(Cc1ccccc1)C(=O)/C=C/c1csc(C)n1 58265673 JHKNGICEOBAIOY-CMDGGOBGSA-N 316.426 3.140 0 40 DGAB CC(C)c1noc([C@H](C)Sc2nncn2Cc2ccco2)n1 48325920 PFFKQRUJXSUKKS-JTQLQIEISA-N 319.390 3.279 0 40 DGAB Cc1nn2c(O)cc(-c3cccnc3)nc2c1-c1ccccc1 100219746 WHRZXRGZAWAMJI-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1cc(C)ccc1C 3401425 KSIPXXMSVNXVGY-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)OC(=O)c1sccc1C 3511000 HGAUFFNODIYGKM-LLVKDONJSA-N 319.382 3.249 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccccc1F 3511146 UUMKTCWVVJBPHQ-NSHDSACASA-N 317.316 3.018 0 40 DGAB CCOC(=O)c1ccc(OCc2nnc(-c3ccccc3)o2)cc1 12938428 ROPQCDAGPMMXEK-UHFFFAOYSA-N 324.336 3.492 0 40 DGAB Cc1ccc(C)c(C(=O)NC[C@H](c2ccsc2)N(C)C)c1 12348866 PLVPAPVVUJLIPF-MRXNPFEDSA-N 302.443 3.398 0 40 DGAB Cc1ccc([C@@H](NCCc2ccccc2)P(=O)(O)O)s1 12949517 FKVUOZZMUQSDID-AWEZNQCLSA-N 311.343 3.065 0 40 DGAB CC(=O)N[C@@H]1C(=O)N(CCc2ccccc2)c2c(C)cc(C)cc21 4383900 BMNCYGUXNUSRED-SFHVURJKSA-N 322.408 3.070 0 40 DGAB CCc1nnc2ccc(N[C@@H](c3ccccc3)[C@@H]3CCCO3)nn12 172145295 BPJHGPSCLRYIQF-KSSFIOAISA-N 323.400 3.019 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)c1cn[nH]c(=O)c1Cl 15115419 ZMRYLYJSAXVPJU-UHFFFAOYSA-N 317.698 3.079 0 40 DGAB Cc1ccc(-n2cc(C(=O)NCc3ccccc3C)nn2)cc1C 67261923 HFVKLDWVINDNBX-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB CC(C)Oc1ccc(F)cc1NC(=O)NC1CCC(O)CC1 67296748 SUEHIXMPNZDRDC-UHFFFAOYSA-N 310.369 3.038 0 40 DGAB C[C@H](NC(=O)c1cc(F)cc(F)c1)c1nc2ccccc2[nH]1 9883158 STJUAUCOPHMREW-VIFPVBQESA-N 301.296 3.332 0 40 DGAB CCc1ccc([C@@H](C)N[C@@H]2CCCN(CC(F)(F)F)C2=O)o1 90591995 KEBNSYZITHNRKC-ZYHUDNBSSA-N 318.339 3.046 0 40 DGAB CC1(C)CCN(C(=O)c2cnn3c(-c4ccccc4)ccnc23)C1 81351003 HFGICVIQAISQAS-UHFFFAOYSA-N 320.396 3.268 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1cccc(Cl)c1 8395439 VAZDWEMOHUUKAD-UHFFFAOYSA-N 323.801 3.386 0 40 DGAB CCc1nc(CN(C)C(=O)c2cccc3c2ccn3C)cs1 69571287 YTPZCRAQRAIXHO-UHFFFAOYSA-N 313.426 3.469 0 40 DGAB Cc1cccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2Cn2cc(C)cn2)c1 71869976 LBDNYJNHKJDRGT-CEXWTWQISA-N 323.440 3.295 0 40 DGAB O=C(NCc1ccco1)N(Cc1ccc(F)cc1F)C1CC1 69623303 DJQORILQBOHKKT-UHFFFAOYSA-N 306.312 3.432 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)c2cc(F)ccc2F)s1 69741933 CFSAJNKZJAUZCB-ZCFIWIBFSA-N 300.355 3.488 0 40 DGAB CCCC1=NN(C(=O)c2ccccc2C)[C@@](O)(C(F)(F)F)C1 408737208 AKSOXQRJFMXBEN-AWEZNQCLSA-N 314.307 3.248 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NC/C=C/c1ccccc1 95402519 BIXNSERVGIJITQ-VYYLWUJASA-N 312.457 3.327 0 40 DGAB Fc1cc(CNc2nnc(-c3ccncc3)o2)c2ncccc2c1 97142107 RFNHCGLMZNJWTE-UHFFFAOYSA-N 321.315 3.431 0 40 DGAB Cc1cccc(NC(=O)N2CCSCC2)c1Br 97162610 BWRGILHYTIWUIL-UHFFFAOYSA-N 315.236 3.338 0 40 DGAB Cn1cccc1CN1CCc2c(ncn2CCc2ccccc2)C1 97377055 ASMJWJUCTIDUMG-UHFFFAOYSA-N 320.440 3.023 0 40 DGAB COc1cc(CNC[C@@H]2CCO[C@H](C)C2)cc(Cl)c1OC 95457715 STTWXGBGCLCVGD-VXGBXAGGSA-N 313.825 3.262 0 40 DGAB C[C@@H]1CC/C(=C\C(=O)NCc2ccc(OCC3CC3)nc2)C1 98056435 UWFCZPYZKVRLHY-GULXKOIASA-N 300.402 3.233 0 40 DGAB CCSc1cccc(NC(=O)N(C)C[C@@H]2CCC[C@@H]2O)c1 95974349 PULVWXFEVVHQLG-WFASDCNBSA-N 308.447 3.423 0 40 DGAB C[C@H](N[C@@H]1CCOC1)c1ccc(Oc2cccnc2)c(F)c1 95968489 HHTLSUVGQNATNS-GXTWGEPZSA-N 302.349 3.453 0 40 DGAB O=C(Nc1ccccc1O[C@@H]1CCOC1)N1C[C@H]2CCC[C@H]2C1 89814138 GXZUYJLSWKWZCG-QLFBSQMISA-N 316.401 3.118 0 40 DGAB CC(=O)c1ccc(NCC(=O)NCc2ccc(F)c(C)c2)cc1 21348448 RRIQSEUJCHRAEP-UHFFFAOYSA-N 314.360 3.065 0 40 DGAB Cc1ccc(-c2nc(-c3ccnc(N4CCCCC4)c3)no2)cn1 69512802 MMZXLEMRGUNRFI-UHFFFAOYSA-N 321.384 3.492 0 40 DGAB COc1ccc(/C=C2/N=C(c3ccccc3Cl)NC2=O)cc1 6005909 YOABVVANAIRPDN-XNTDXEJSSA-N 312.756 3.266 0 40 DGAB Cn1nc(-c2cccs2)cc1C(=O)NC[C@@H]1C[C@@H]2C=C[C@H]1C2 72403373 MCZAQUZNQVOFJP-AGIUHOORSA-N 313.426 3.091 0 40 DGAB O=C(Nc1cc([C@H]2C[C@H]3CC[C@H]2C3)[nH]n1)c1ccc(F)c(O)c1 1544383195 QIDZRWLRZVFPLE-NHCYSSNCSA-N 315.348 3.410 0 40 DGAB Cc1noc(-c2ccc(Cl)cc2)c1C(=O)NC[C@@H]1CCCO1 35681750 UZLOBJPCVUYQJR-ZDUSSCGKSA-N 320.776 3.212 0 40 DGAB COc1ccc(NC(=O)CCc2cn(C)c3ccccc23)cn1 79501311 UWSFNTQFYFQCRI-UHFFFAOYSA-N 309.369 3.153 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)s1 31566112 KRYHMAVDYZADME-MRXNPFEDSA-N 314.454 3.451 0 40 DGAB O=C(NCc1cc(-c2ccc3c(c2)OCO3)on1)c1ccccc1 38750709 BJRRGDXKJWKKEC-UHFFFAOYSA-N 322.320 3.000 0 40 DGAB CCOCCCNC(=O)N(C)Cc1cccc2ccccc12 43005438 KIJVYKDLTHHJOB-UHFFFAOYSA-N 300.402 3.408 0 40 DGAB CC(C)(C)n1nccc1NC(=O)N[C@@H]1CCCc2occc21 190594346 RKPHMVGIXLYOAR-GFCCVEGCSA-N 302.378 3.430 0 40 DGAB Cc1nc(CCNCc2cnc(C)n2-c2ccccc2)cs1 84014117 FUTGFFVPTQZJTE-UHFFFAOYSA-N 312.442 3.278 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2ccncc2)cc1C 225792049 BXERQWYQTUKNAJ-CQSZACIVSA-N 315.442 3.452 0 40 DGAB O=C(CCc1nc(-c2cccc(F)c2)no1)NC1CCCCC1 225798388 INSLPAXYKVFVQZ-UHFFFAOYSA-N 317.364 3.257 0 40 DGAB O=C(Cn1ccc2ccccc21)NCc1c(F)cccc1F 44442688 FPFIXFRYTSVNCW-UHFFFAOYSA-N 300.308 3.236 0 40 DGAB CCS[C@@H]1CCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1F 96450470 RFAZMOABHZHMFR-HUUCEWRRSA-N 324.421 3.188 0 40 DGAB Cc1cccc(NC[C@H]2CCN(Cc3cnc(C)s3)C2)n1 97200548 VJVVNOGXZIPLJK-CQSZACIVSA-N 302.447 3.089 0 40 DGAB CCOC(=O)c1sc(CNc2nc3ccccc3o2)nc1C 96455861 PLBBFEFBSANMJQ-UHFFFAOYSA-N 317.370 3.382 0 40 DGAB COc1ccccc1C(=O)N[C@H](CN1CCCC1)c1ccccc1 97121353 LHACMXDPZYNFBI-GOSISDBHSA-N 324.424 3.262 0 40 DGAB O=C(O)C1(C(=O)Nc2cc(Cl)c(O)cc2F)CCCCC1 1594869227 JYUZURJKSGZOQI-UHFFFAOYSA-N 315.728 3.158 0 40 DGAB C/C(=C\C(=O)NC[C@H]1CCOC1)c1ccccc1C(F)(F)F 96425060 JJIWQTGRBGSXBH-JATZPVMKSA-N 313.319 3.261 0 40 DGAB Cc1ccnc(Oc2cc(N[C@H]3CCN(C)C3=O)ccc2C)c1 96437214 VMNUGUZYSGTZEE-HNNXBMFYSA-N 311.385 3.133 0 40 DGAB CO[C@H]1CCN(Cc2ccccn2)C[C@@H]1Cc1cccc(C)c1 96110522 JJUMKQQLRQKWPC-ICSRJNTNSA-N 310.441 3.470 0 40 DGAB Cc1nscc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 97378472 LBGPRQATSKZPTR-GFCCVEGCSA-N 321.471 3.032 0 40 DGAB CO[C@@](C)(CNC(=O)c1cc(C)oc1C)c1ccccc1F 96123443 HVIJAXZABFMVEM-KRWDZBQOSA-N 305.349 3.327 0 40 DGAB COc1cccc(F)c1CN1CC[C@H](c2nc(C)cc(C)n2)C1 257242515 ICWXSMLTVGHYPI-AWEZNQCLSA-N 315.392 3.231 0 40 DGAB O=C(/C=C/c1ccc[nH]1)N1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 287740328 GPWFWXJZETXTKA-OKMMTOMJSA-N 322.408 3.059 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCCc1cccs1)c1cccs1 90607319 MBRFSDVGYDZIJJ-LLVKDONJSA-N 323.439 3.117 0 40 DGAB C[C@@](O)(CCc1ccccc1)CNC(=O)CSC1CCCC1 96025809 VAEUSWVLMMTTRQ-GOSISDBHSA-N 321.486 3.162 0 40 DGAB CC(C)N1CCC2(CC1)OCC[C@@H]2CCOCc1cccnc1 585104302 GYVGPIJWDKSGNP-SFHVURJKSA-N 318.461 3.268 0 40 DGAB O=C(Nc1ccc(F)c(C2CC2)c1)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 585123599 JFEZBIBUVHZVLO-IUIKQTSFSA-N 304.365 3.080 0 40 DGAB C[C@H]1CN(c2ccc(CNc3nc4ccccc4o3)cn2)CCO1 52245770 SOPKUWWXEHEONR-ZDUSSCGKSA-N 324.384 3.060 0 40 DGAB CC(C)[C@@H](C)Nc1ccc(Cl)c(C(=O)NCc2ncc[nH]2)c1 75092968 ZIAJBHZUHXQLRC-LLVKDONJSA-N 320.824 3.450 0 40 DGAB Cn1c([C@@H]2CCN(C(=O)OC(C)(C)C)C2)nc2ccccc21 168583223 ZVYDFLIZTKFBGG-GFCCVEGCSA-N 301.390 3.298 0 40 DGAB O=C(c1ccc(F)c(I)c1)C(F)(F)F 604221713 ZPNKLKOTFDGCIS-UHFFFAOYSA-N 318.007 3.175 0 40 DGAB O=C(CN1CCC(c2ccc(F)cc2)CC1)Nc1nccs1 12113956 MXCOJPAHFBNIKR-UHFFFAOYSA-N 319.405 3.100 0 40 DGAB O=C(COc1ccccc1F)NCCSc1ccccc1 18214505 RKZCFVYUANFXTQ-UHFFFAOYSA-N 305.374 3.113 0 40 DGAB COCCC(=O)N[C@H](Cc1ccsc1)c1nc(C)c(C)s1 19559746 QAELCKKLRMUNDF-CYBMUJFWSA-N 324.471 3.258 0 40 DGAB CCC(CC)C(=O)OCC(=O)Nc1ccccc1OC(F)F 3249781 GXPMWGLBTXSNFM-UHFFFAOYSA-N 315.316 3.206 0 40 DGAB O=C(CSc1nc2ccccc2s1)NCC(F)(F)F 3442410 HELJQXFPFGNRFD-UHFFFAOYSA-N 306.334 3.067 0 40 DGAB COCCNC(=S)Nc1ccc(Cl)c(C(F)(F)F)c1 13934141 FTFXUVULXZBDQG-UHFFFAOYSA-N 312.744 3.292 0 40 DGAB O=C1c2ccc3c4c(ccc(c24)C(=O)N1c1cccc(O)c1)CC3 64251 PJVYWXGYENRUJH-UHFFFAOYSA-N 315.328 3.445 0 40 DGAB CCCCCCN[C@H](CC(=O)Nc1ccc(CC)cc1)C(=O)O 4279961 HMQSMQXURNXLCW-MRXNPFEDSA-N 320.433 3.201 0 40 DGAB Cc1ccnc(NC(=O)CSc2nc(C)c(CC(C)C)[nH]2)c1 4626014 XIVXQZBOHCVLSB-UHFFFAOYSA-N 318.446 3.351 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3)cc1 17113564 WSOCXRMNPWMCRG-UHFFFAOYSA-N 310.353 3.221 0 40 DGAB O=C(Nc1c[nH]ccc1=O)c1ccc(-c2ccccc2F)s1 40151649 XWKLTKREKMWTCO-UHFFFAOYSA-N 314.341 3.495 0 40 DGAB Cc1ccc(C)c2sc(NC(=O)/C=C/c3ccnn3C)nc12 31886518 OAYQJRKLJFVQGP-VOTSOKGWSA-N 312.398 3.299 0 40 DGAB COc1cccc(CC(=O)Nc2cccc(NC(C)=O)c2C)c1 32753710 NYLWZSIWUMPGPR-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB CCOC(=O)Nc1ccc(NC(=O)c2cc(C(C)=O)c[nH]2)cc1 53466761 GEBBBYGBIFKFGL-UHFFFAOYSA-N 315.329 3.038 0 40 DGAB CC(C)c1ccc([C@H](C)NC(=O)CCCn2cncn2)cc1 54057737 PNARNKCGGMFWCV-AWEZNQCLSA-N 300.406 3.059 0 40 DGAB Cc1ncsc1C(=O)N[C@@H]1CCN([C@@H](C)c2ccccc2)C1 54223211 UKMKVNKIMRWVEO-DZGCQCFKSA-N 315.442 3.017 0 40 DGAB Cc1cccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 408713 FBVMEXKJRKVQRJ-IRXDYDNUSA-N 306.365 3.165 0 40 DGAB biogenic CC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1C 1276576 VSVXLFOMDJMOPC-UHFFFAOYSA-N 306.365 3.390 0 40 DGAB CCN(CC)Cn1nc2c3c(cccc3c1=O)-c1ccccc1-2 2238249 ILBAXMGNOKGWDS-UHFFFAOYSA-N 305.381 3.343 0 40 DGAB CCc1ccc(NC(=O)COC(=O)Cc2ccsc2)cc1 2656428 ZHBOOSRSTBPCEH-UHFFFAOYSA-N 303.383 3.035 0 40 DGAB O=C(NCc1cccs1)c1ccc(OC[C@H]2CCCO2)cc1 2664205 YLXCOEKMMBAIEP-OAHLLOKOSA-N 317.410 3.236 0 40 DGAB CCO/C=C1/C(=O)N(c2ccccc2)C(=O)c2cc(OC)ccc21 3098935 FBARXCTUIIMFQM-SFQUDFHCSA-N 323.348 3.260 0 40 DGAB CCOc1ccccc1OCCCC(=O)Nc1nccs1 3417805 RUBINLIPIJZASC-UHFFFAOYSA-N 306.387 3.340 0 40 DGAB Cn1c(SC[C@@H](O)COc2ccccc2)nc2ccccc21 4018995 ZSTUCNIBMLLZLZ-ZDUSSCGKSA-N 314.410 3.105 0 40 DGAB CSc1nccc(NC(=O)c2cccc(Br)c2)n1 4106832 SESANFZCLJABTO-UHFFFAOYSA-N 324.203 3.213 0 40 DGAB CC(C)=CC(=O)OCC(=O)Nc1cc(Cl)cc(Cl)c1 4870751 DXEACLRRGYOKTP-UHFFFAOYSA-N 302.157 3.441 0 40 DGAB Cc1cc(C)c(C(=O)Cn2cnc3ccccc3c2=O)cc1C 5316174 HDOWVDXELRUXMZ-UHFFFAOYSA-N 306.365 3.205 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1ccc(Cl)cc1 5573174 KZCLFMSYOVFIFN-UHFFFAOYSA-N 303.745 3.292 0 40 DGAB COc1ccc(S(=O)(=O)Nc2c(F)cccc2F)cc1C 6471677 XSBVFEOWLMPAEX-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1ccc2[nH]cnc2c1 6653626 LWJCFDUMGQRTAR-UHFFFAOYSA-N 304.353 3.017 0 40 DGAB CCN(CC)C(=O)c1nccnc1-c1nc2ccccc2s1 6669737 IEYJZSAYZOISEB-UHFFFAOYSA-N 312.398 3.235 0 40 DGAB COc1cccc(CN(C)CC(=O)N[C@@H](C)c2ccccc2)c1 7683479 FGPPARREFCATFU-HNNXBMFYSA-N 312.413 3.004 0 40 DGAB O=C(Nc1ccccc1Cl)[C@@H]1CC(=O)N(C2CCCCC2)C1 8816478 BYZUMBMDPJSJLS-GFCCVEGCSA-N 320.820 3.460 0 40 DGAB O=C1CCc2cc(C(=O)Nc3ccccc3Cl)ccc2N1 9155793 IZLVIMFJUQBFLD-UHFFFAOYSA-N 300.745 3.477 0 40 DGAB C[C@@H]1CCc2noc(NC(=O)COc3ccccc3Cl)c2C1 9306593 ADKHOUPBJTYTIG-SNVBAGLBSA-N 320.776 3.470 0 40 DGAB Cc1cc(C)c2c(C)c(C(=O)N3CCO[C@H](C)C3)sc2n1 11504225 OTQRQTJYUXNUOG-LLVKDONJSA-N 304.415 3.082 0 40 DGAB C[C@@H](NC(=O)NCCc1ccccc1)c1ccc2c(c1)OCO2 11607377 VRPGIRTZZLUBRR-CYBMUJFWSA-N 312.369 3.018 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)Oc1ccccc1OC 11636403 CJUDVKBWAPYEGX-LBPRGKRZSA-N 301.342 3.110 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccco1)C[C@@H](c1ccc(Cl)cc1)N2 13123917 XBFMEHHFYZYVBC-NWDGAFQWSA-N 315.764 3.253 0 40 DGAB Cc1nc(NC(=O)/C=C/c2ccccc2)nc2c1C(=O)C[C@@H](C)C2 13636177 NVNXRMVTQUTXNZ-BCPZQOPPSA-N 321.380 3.202 0 40 DGAB CCCCc1ccc(-n2c(NN)nc3ccccc3c2=O)cc1 15424505 WMCORGJLDOHLCS-UHFFFAOYSA-N 308.385 3.014 0 40 DGAB Cc1c([C@H](C)NC(=S)Nc2ccc(F)cc2F)cnn1C 17032116 ARTRAINXLQEZGU-QMMMGPOBSA-N 310.373 3.054 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)NCc1ccc(F)cc1 20030294 QBDSKICVJJSVPA-ZHACJKMWSA-N 315.344 3.173 0 40 DGAB NCc1ccc(NC(=O)c2ccc(Br)cc2)cc1 20224330 BGUBFXROXVFJBM-UHFFFAOYSA-N 305.175 3.160 0 40 DGAB CCCCNC(=O)NCCCOC12CC3CC(CC(C3)C1)C2 20436029 KGOPBTAPGXKING-UHFFFAOYSA-N 308.466 3.461 0 40 DGAB Cc1cc(C(=O)N2CCCc3ccccc32)c2c(C)nn(C)c2n1 24256869 SZTXVBCOQGXOEO-UHFFFAOYSA-N 320.396 3.178 0 40 DGAB Cc1c(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)C2CC2)cnn1C 27280599 NUDZSFDXYOBTCO-XHDPSFHLSA-N 313.401 3.250 0 40 DGAB Cc1ccn(-c2ccc(NS(=O)(=O)c3cccs3)cc2)n1 28219915 OYCQTZOWTKBRAK-UHFFFAOYSA-N 319.411 3.043 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)[C@@H]1C[C@@H]1c1ccccc1 28226110 VTDDSQJCGCBMMU-ZIAGYGMSSA-N 322.393 3.342 0 40 DGAB COc1ccc(NC(=O)c2cc(C(F)(F)F)n[nH]2)cc1Cl 28236467 JRCAFMMYMHUAQT-UHFFFAOYSA-N 319.670 3.343 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1 29278405 RBOVJHHEGYWUIT-UHFFFAOYSA-N 320.352 3.287 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)NC(C3CC3)C3CC3)c12 30801277 BQAZSZCPCMKHLI-UHFFFAOYSA-N 311.385 3.327 0 40 DGAB O=C(c1ccc(Cl)cc1)[C@@H](NCCO)c1ccc(Cl)cc1 31911498 OCPPTXZIUZMRKT-HNNXBMFYSA-N 324.207 3.499 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)c1ccncc1 32405187 BXIXRCPOZKXGFB-LLVKDONJSA-N 310.806 3.083 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccccc2)oc(C)c1C(C)=O 32593772 KGVVLNVSRPYIHI-UHFFFAOYSA-N 315.325 3.220 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](C)N(C)Cc2ccc(C)cc2)cc1 32797218 RPBRSLXETUQNFE-QGZVFWFLSA-N 310.441 3.440 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N[C@H](C)c3ccncc3)c12 32873730 ZGFJJXVCFDEKPY-SNVBAGLBSA-N 322.368 3.295 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2)[C@@H]1C(=O)O 35571147 RJSXGIUXOYNBAE-UONOGXRCSA-N 305.374 3.254 0 40 DGAB NCc1ccc(OCC(=O)Nc2cccc(C(F)(F)F)c2)cc1 36720730 HNEYUJZXYRACOO-UHFFFAOYSA-N 324.302 3.182 0 40 DGAB C[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccc(F)cc1 38755327 FSWANMTUNAFEKN-NSHDSACASA-N 311.353 3.145 0 40 DGAB O=C(NCCSC1CCCC1)c1ccc(Br)o1 40082557 OPJXSXJCYYHLNB-UHFFFAOYSA-N 318.236 3.448 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@H]1CC(=O)Nc2ccccc21 40485864 LIUJWUVMGIADHL-ZDUSSCGKSA-N 314.410 3.141 0 40 DGAB NC(=O)NC[C@H]1CCCN(C2c3ccccc3-c3ccccc32)C1 40555606 JWEGNPWDCGTFFR-CQSZACIVSA-N 321.424 3.137 0 40 DGAB c1ccc(-n2cnnc2CNc2nc3ccccc3s2)cc1 42100206 MNKGDZNENCJKDD-UHFFFAOYSA-N 307.382 3.489 0 40 DGAB Cc1cccnc1NC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2 43483280 QGBSHXHHADDOIO-LBPRGKRZSA-N 313.357 3.044 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)Nc1cccnc1 44889604 CAHVUWJPXMZFGI-UHFFFAOYSA-N 321.384 3.206 0 40 DGAB CC[C@@H](C)C(=O)Nc1ccc(OC)c(OC[C@H]2CCCO2)c1 48189120 YAZRYHAHSZTMDX-TZMCWYRMSA-N 307.390 3.238 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)c1ccnc(-n2ccnc2)c1 48210807 JTUUCRRYQQPTSH-HNNXBMFYSA-N 320.396 3.018 0 40 DGAB CC(=O)N[C@H](CC(=O)N1CCC[C@H](C)C1)c1ccc(Cl)cc1 48324733 IUEPFWXMIFHMBN-BLLLJJGKSA-N 322.836 3.166 0 40 DGAB Cc1nc(CCNC(=O)NCC2(c3ccccc3)CC2)cs1 48357829 VCFVDBUEAATKHH-UHFFFAOYSA-N 315.442 3.025 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1ccc2cc(OC)ccc2c1 49590114 OEZBZZHOCXKRBD-QGZVFWFLSA-N 312.413 3.063 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)c(F)c2)C2(CCCCC2)O1 57355719 GNFXVMBDAZQCMF-LLVKDONJSA-N 309.312 3.169 0 40 DGAB CCOCCO[C@@H](C)C(=O)N[C@@H](C)c1ccc2ccccc2c1 57421335 WUYWCDMYVQEDOC-GJZGRUSLSA-N 315.413 3.459 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)NC1CCCCC1 58173977 WKQIRIOLGFURPY-UHFFFAOYSA-N 312.417 3.313 0 40 DGAB CCCc1noc(CS(=O)(=O)c2ccc(C(C)C)cc2)n1 59036107 SBMYXINSXYUGCP-UHFFFAOYSA-N 308.403 3.119 0 40 DGAB Cc1cc2c(cc1O)NC(=O)C[C@H]2c1ccc(-c2cc[nH]n2)o1 67641571 VNRFYICLDWHXNM-LLVKDONJSA-N 309.325 3.158 0 40 DGAB C[C@H](NC(=O)CNc1cc(CO)ccc1Cl)c1ccccc1 68923585 RPXLYZVNNXBYTL-LBPRGKRZSA-N 318.804 3.122 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69489418 PWYNFXFDMHLXLO-SJORKVTESA-N 323.444 3.176 0 40 DGAB Cc1cccc(-c2nc3ccc(NS(C)(=O)=O)cc3o2)c1 71558063 CBDXXPMRWOTRSW-UHFFFAOYSA-N 302.355 3.175 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2nnsc2-c2ccccc2)C1 72239975 GRBRKXONVMWLJU-RYUDHWBXSA-N 301.415 3.323 0 40 DGAB O=S(=O)(Nc1cc(Cl)c(Cl)cn1)c1cccs1 72303851 COTHORDFRLAAFF-UHFFFAOYSA-N 309.199 3.251 0 40 DGAB CC(=O)N(C)Cc1ccccc1NC(=O)c1ccc2[nH]ccc2c1 75607096 PDQBPKNPDQPGEK-UHFFFAOYSA-N 321.380 3.399 0 40 DGAB CC(C)Cc1nnc([C@H](C)N[C@@H](C)c2ccc3c(c2)OCO3)o1 76083697 ADAGSSWQFWJMAT-RYUDHWBXSA-N 317.389 3.409 0 40 DGAB O=C(CC1=CCCCC1)Nc1cnccc1SCCCO 77013860 TUHMPJMOOOHGCW-UHFFFAOYSA-N 306.431 3.385 0 40 DGAB Nc1nccnc1C(=O)N1CCCCC[C@@H]1C1CCCCC1 78814976 DUEMQCLSCVMWTA-CQSZACIVSA-N 302.422 3.024 0 40 DGAB Cc1cc(C)c(S(=O)(=O)NC(C)(C)c2nccs2)c(C)c1 82352913 PDWFOSRCKIVDKA-UHFFFAOYSA-N 324.471 3.282 0 40 DGAB Cc1ccc([C@H]2COCCN2C(=O)c2ccc(F)c(F)c2)o1 89652807 WZVMQYHDQXMYKT-CQSZACIVSA-N 307.296 3.080 0 40 DGAB CCN(CCc1nccs1)C(=O)[C@H]1CSc2ccccc21 89969228 MPKFXEBXILKTJM-ZDUSSCGKSA-N 318.467 3.424 0 40 DGAB COc1ccc2[nH]cc(C3CCN(Cc4ccnn4C)CC3)c2c1 92474536 GKRYWCNXJWEVBU-UHFFFAOYSA-N 324.428 3.290 0 40 DGAB COc1ccc(C(=O)Oc2c(Cl)cc(C=O)cc2OC)cc1 95470241 ODZUYYZALJNNJN-UHFFFAOYSA-N 320.728 3.389 0 40 DGAB CC(C)(C)OC(=O)N1CCC(N)(Cc2cccc(F)c2)CC1 96029494 BAGWEWPBGJWFBL-UHFFFAOYSA-N 308.397 3.097 0 40 DGAB CC(=O)Nc1ccc(/C=C/C(=O)N2CCS[C@@H](C)[C@@H]2C)cc1 96411132 IAXFEWBPDHNVRQ-BNDLJXMOSA-N 318.442 3.011 0 40 DGAB O=C(NC[C@@H](CCO)c1ccccc1)Nc1cccnc1Cl 96419827 LKYMSTIIMPZTGP-CYBMUJFWSA-N 319.792 3.023 0 40 DGAB O=C(c1c(F)cccc1Br)N1CCCSCC1 96454199 CVHFPORTDCIQIA-UHFFFAOYSA-N 318.211 3.167 0 40 DGAB O=C(c1cccs1)N(CCc1ccccc1)[C@@H]1CCOC1 96460277 PPFRCEFCQWWVRH-OAHLLOKOSA-N 301.411 3.222 0 40 DGAB C[C@@H](CC(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1 97045103 YRFKUHRSBMZFMI-LSDHHAIUSA-N 303.402 3.284 0 40 DGAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/Nc1ccc(O)cc1 100713975 UIJRBWYZJBHKLC-NTEUORMPSA-N 314.728 3.303 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(C)o1 222857965 OKZJLQSBZRSVLY-LSDHHAIUSA-N 301.415 3.366 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CC 223042469 YVCHIVXHNAIMLD-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB COc1ccc(C(=O)NCCOc2cc(C)cc(C)c2)cc1C 224109475 SSAJCPHBMOGSRU-UHFFFAOYSA-N 313.397 3.429 0 40 DGAB CC(C)Oc1ccc(C(=O)NCCOCc2ccccc2)cc1 224272825 FIKLFCTZDMFSHF-UHFFFAOYSA-N 313.397 3.420 0 40 DGAB COc1ccccc1C[C@H](Oc1ccc(Cl)cc1)C(=O)O 225096520 HYPIYUNJJCQFAQ-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB CC(C)SCc1cccc(NC(=O)CNC[C@H]2CCCO2)c1 225473455 DKZOSLFJAVFHAK-MRXNPFEDSA-N 322.474 3.035 0 40 DGAB COC(=O)[C@H](Sc1nnc(C2CC2)s1)c1ccsc1 225571899 DQQUEWAWTXNASY-SECBINFHSA-N 312.441 3.483 0 40 DGAB CC1(C)CC(=O)[C@H]2C(COc3ccc(Cl)cc3)=NN[C@@H]2C1 228925385 JMLZUTQGMWDMLP-IUODEOHRSA-N 306.793 3.052 0 40 DGAB COc1ccc(F)cc1C(=O)N1CC[C@@]2(C)C[C@H](OC)CC[C@@H]12 257270260 MTLATKNFFRNYRN-QBIMZIAESA-N 321.392 3.254 0 40 DGAB Cc1cn(C)c([C@H]2CN(Cc3cccc4ccccc34)CCO2)n1 257290861 QEQDGDHFGLXQHD-LJQANCHMSA-N 321.424 3.455 0 40 DGAB Cc1c[nH]c([C@H]2CN(Cc3ccc4ccccc4c3)CCO2)n1 257295426 QYGDQTOUPFGQKV-GOSISDBHSA-N 307.397 3.445 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(Cc2cnc(-c3ccccc3)nc2)C1 257328909 XHOFEHVCWWOSRI-QGZVFWFLSA-N 319.412 3.165 0 40 DGAB O=C(NC(=S)Nc1ccc(-c2cnco2)cc1)c1ccccc1 261507766 MCKIGYZNEQWTCI-UHFFFAOYSA-N 323.377 3.468 0 40 DGAB Cc1cc(N2CCC(Cc3nc4ccccc4[nH]3)CC2)ncn1 521398489 JWIPXWRHJZDZKJ-UHFFFAOYSA-N 307.401 3.120 0 40 DGAB Cc1cc(C)cc([C@H]2CCN(C(=O)C[C@@H](C)CC(=O)O)C2)c1 577076768 KQEGFNLFKNGSPH-CABCVRRESA-N 303.402 3.120 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1ccc(Cl)c(Br)c1 1083807067 YDWWRUHZJQXCPW-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCCCCC1 212164 PQPLMGHJWCVCQL-SFHVURJKSA-N 300.446 3.301 0 40 DGAB CCOC(=O)c1c(NC(=O)CC(C)C)sc(C(C)=O)c1C 483842 XJSKZPOGXQNFFJ-UHFFFAOYSA-N 311.403 3.420 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)CCc2ccccc2)cn1 1358335 DGMVKOIJZYRYJQ-UHFFFAOYSA-N 311.385 3.392 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1ccc(C)c(C)c1 1972433 CCECUTPUXKXWBV-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCCCCn1c([C@H](C)NC(=O)COC)nc2ccccc21 2601758 MSDVXIRECDAZSA-ZDUSSCGKSA-N 303.406 3.050 0 40 DGAB CCn1ncc(-c2cc(C(F)F)c3c(C)nn(C)c3n2)c1C 2740970 IVULETWYMJZOGZ-UHFFFAOYSA-N 305.332 3.406 0 40 DGAB O=C(N/C(=C\c1ccccc1)C(=O)N1CCCCC1)c1ccco1 2949920 YKPNUUVTLHEZQT-PEZBUJJGSA-N 324.380 3.063 0 40 DGAB COC(=O)c1ccc(OC(=O)c2ccc(F)cc2Cl)cc1 3284570 BFUYHHQPYRIBEZ-UHFFFAOYSA-N 308.692 3.485 0 40 DGAB COc1ccc(Cl)cc1NCC(=O)N1CCc2ccccc21 3335302 YCHMJIJFRQDKPD-UHFFFAOYSA-N 316.788 3.350 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCOC(=O)c1cccn1C 3374337 CURYWODJUTYQKP-UHFFFAOYSA-N 314.385 3.218 0 40 DGAB NC(=S)N1N=C(c2ccc(Cl)cc2)C[C@@H]1c1ccco1 3886752 PVTYNKLLCRPUCH-GFCCVEGCSA-N 305.790 3.328 0 40 DGAB O=C(NC1CCCC1)C1CCN(Cc2ccc(F)cc2)CC1 4698603 SPSXAJDHDHXFAJ-UHFFFAOYSA-N 304.409 3.097 0 40 DGAB Fc1cccc(F)c1-c1nc(-c2ccc3c(c2)OCO3)no1 4744846 ZAJRIWDVTCNNBC-UHFFFAOYSA-N 302.236 3.411 0 40 DGAB O=S(=O)(Nc1ccncc1)c1cccc(Cl)c1Cl 5881803 AJJOLLIKJVHBCY-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB COC(=N)NP(=O)(Oc1ccccc1)Oc1ccccc1 6482015 OFBUYYUTCOXIJR-UHFFFAOYSA-N 306.258 3.423 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2cccc(Cl)c2)cc1 6627488 ODDZARAAVYHTPC-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3c(C)cccc3C)C2=O)cc1 7213159 CFRVGBKTIFFXDI-INIZCTEOSA-N 308.381 3.356 0 40 DGAB COc1ccccc1NC(=O)c1cc(-c2cccc(C)c2O)[nH]n1 8972944 KUUYPANOHGYHOE-UHFFFAOYSA-N 323.352 3.352 0 40 DGAB CN(C)Cc1ccc(CNC(=O)/C=C/c2ccsc2)cc1 8983936 IYCSOJIHVREYPM-BQYQJAHWSA-N 300.427 3.139 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)CC1(C(=O)O)CCCC1 8984063 LXXMBCMCXCDCND-ZDUSSCGKSA-N 319.401 3.216 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1ccccc1OC(F)F 9064294 MZPQPHKSDVPUQT-UHFFFAOYSA-N 302.346 3.147 0 40 DGAB O=C1C[C@H](c2nc(-c3ccccc3F)no2)CN1c1ccccc1 9317950 BIBYLRSDBXRYLH-LBPRGKRZSA-N 323.327 3.396 0 40 DGAB Cc1cccc(C)c1OCC(=O)Nc1onc2c1CCCC2 11914322 YYXYFPDZAFNIII-UHFFFAOYSA-N 300.358 3.188 0 40 DGAB O=C(c1nccs1)C1CCN(C(=O)c2ccccc2F)CC1 12142730 OCODEZDSPBONPX-UHFFFAOYSA-N 318.373 3.017 0 40 DGAB CCCn1cc2c(C(F)(F)F)cc(SCC(=O)O)nc2n1 12398359 XRLYRJISPDDQSC-UHFFFAOYSA-N 319.308 3.037 0 40 DGAB CCOC(=O)c1oc2ccccc2c1NC(=O)c1cc(C)no1 12422415 QYHRJTCOEIQAIO-UHFFFAOYSA-N 314.297 3.158 0 40 DGAB Cc1cc(C)c(CNC(=O)/C=C/c2ccc(Cl)s2)c(=O)[nH]1 12826086 QSEPETRQEBIVEY-GQCTYLIASA-N 322.817 3.036 0 40 DGAB C[C@H](N[C@@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 12945592 TVDNNBUOBUZMJY-XHDPSFHLSA-N 315.804 3.339 0 40 DGAB c1cncc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)c1 13735853 XYNUTLPFOFEUKN-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)nc3ccccc32)c(C)c1 14218382 APTOATRTWLVZFA-UHFFFAOYSA-N 300.383 3.199 0 40 DGAB CC(C)NC(=O)c1ccc(NC(=O)CCc2ccccc2)cc1 14553742 WSTYIEWHAMUFGB-UHFFFAOYSA-N 310.397 3.396 0 40 DGAB Cc1cnc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)cn1 14910430 CALDJHULFRLJFI-UHFFFAOYSA-N 321.384 3.113 0 40 DGAB Cc1ccc(CN2C[C@H](C(=O)Nc3cccc(C)c3)CC2=O)cc1 16028489 YJBBNFPNYQPTRN-QGZVFWFLSA-N 322.408 3.291 0 40 DGAB Cc1ccc(CC(=O)NCC2(c3ccccc3)CCOCC2)cc1 16850120 SHBQWESDQSFZLE-UHFFFAOYSA-N 323.436 3.402 0 40 DGAB Cc1ccc([C@@H]2[C@H]3C(=O)N=C(O)[C@H]3ON2c2ccccc2C)cc1 18192617 ZMSUZVXHYBENOX-ZACQAIPSSA-N 322.364 3.278 0 40 DGAB COc1ccc(N)cc1NC(=O)[C@H](C)Oc1cc(C)ccc1C 19736201 WFAJHWQZWMZUKT-ZDUSSCGKSA-N 314.385 3.300 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2cccnc2N2CCCC2)cc1 21489846 NCNCHEKTKZGANG-UHFFFAOYSA-N 324.380 3.030 0 40 DGAB Cc1cc(C)c(C)c(O[C@H](C)C(=O)NCCCOC(C)C)c1 22526901 DJTXFPRFAUDPJG-MRXNPFEDSA-N 307.434 3.310 0 40 DGAB Cn1ccs/c1=N\C(=O)CSCc1ccc(Cl)s1 23224400 YSEWXYFMPAOEFE-QBFSEMIESA-N 318.876 3.162 0 40 DGAB Cc1[nH]c2c(C(=O)Nc3ccc4oc(=O)[nH]c4c3)cccc2c1C 24912514 SIZRRVKCULCSJI-UHFFFAOYSA-N 321.336 3.472 0 40 DGAB COc1ccccc1[C@@H](C)N(C)C(=O)Cc1cn2ccccc2n1 25113778 JANAWQLVYXNTCD-CQSZACIVSA-N 323.396 3.105 0 40 DGAB C(COCCC12CC3CC(CC(C3)C1)C2)CN1CCOCC1 28629436 HTSDKZYIVYWIJL-UHFFFAOYSA-N 307.478 3.332 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)n2cc(Br)cn2)c(C)c1 32611609 JOIJESDICOXLAM-NSHDSACASA-N 322.206 3.462 0 40 DGAB CCOC(=O)N[C@@H](C(=O)Nc1ccc(SC)cc1)C(C)C 32911717 UVPBVUOQLDYAMO-CYBMUJFWSA-N 310.419 3.118 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(CC)c(C)s2)C1 35153085 NFAYKVIMSWVKGU-CYBMUJFWSA-N 309.431 3.034 0 40 DGAB Cc1cn2cc(NC(=O)Cc3c[nH]c4ccccc34)ccc2n1 41305379 UEQFFPFBTFFFIW-UHFFFAOYSA-N 304.353 3.305 0 40 DGAB COC[C@H](C)NC(=O)CCc1ncc(-c2ccc(C)c(C)c2)o1 46629109 NNKQDUTXJFTKLK-AWEZNQCLSA-N 316.401 3.042 0 40 DGAB COc1cccc([C@@H]2CC(=O)c3c(OC)cccc3O2)c1OC 48057102 HLDKSMAKRMIKKX-INIZCTEOSA-N 314.337 3.419 0 40 DGAB Cc1nn(C)cc1[C@H]1SCC(O)=Nc2c1cnn2C(C)(C)C 49549912 HZQWLBWDGUVSIW-ZDUSSCGKSA-N 319.434 3.104 0 40 DGAB O=C(C[C@@H]1C=CCC1)NC1CCN(c2ccc(F)cc2)CC1 53244356 IODJGXYCXKWYNS-CQSZACIVSA-N 302.393 3.267 0 40 DGAB CC(=O)Nc1nc(C(=O)N(C2CCCCC2)C2CC2)cs1 58294505 RNGFTIPMQBQQEV-UHFFFAOYSA-N 307.419 3.039 0 40 DGAB O=C(Cc1c(F)cccc1Cl)NCCc1cccc(O)c1 58340987 GPHCYZINBHMVTO-UHFFFAOYSA-N 307.752 3.086 0 40 DGAB O=c1c2cc(-c3ccc(F)cc3)nn2ccn1Cc1ccccc1 64977429 NLBVLZALLWSVAV-UHFFFAOYSA-N 319.339 3.350 0 40 DGAB O=C1OCCN1CCN1Cc2ccccc2[C@H](c2ccccc2)C1 67962643 BBDKLKDHBCKXJA-IBGZPJMESA-N 322.408 3.086 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2cnn(Cc3ccccc3)c2)c1 69489419 PWYNFXFDMHLXLO-IAGOWNOFSA-N 323.444 3.176 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)[C@@H](C)c2c(C)noc2C)no1 69533126 WJUWXBXGWLBFEU-HZMBPMFUSA-N 303.362 3.055 0 40 DGAB Cc1oc(C)c(C(=O)N2CCC[C@H](n3ccnc3C)C2)c1C 69771314 LQUQKUSIURVQCU-HNNXBMFYSA-N 301.390 3.187 0 40 DGAB Cc1cccc(C2(C(=O)N[C@@H](C)Cn3nc(C)cc3C)CC2)c1 71822626 NVOJIBAIUNGEOH-HNNXBMFYSA-N 311.429 3.045 0 40 DGAB CNC(=O)Cc1ccccc1NC(=O)c1sccc1SC 71884128 USNGRDQULCTAEA-UHFFFAOYSA-N 320.439 3.011 0 40 DGAB COc1ccc(C2(c3nc(CC(C)C)no3)CCOCC2)cc1 71890053 BATMZAODGAFMEW-UHFFFAOYSA-N 316.401 3.373 0 40 DGAB CC(C)(C)C(=O)N1CCC(c2ncncc2-c2ccncc2)CC1 72334733 MNFIUVCAUIDNBS-UHFFFAOYSA-N 324.428 3.291 0 40 DGAB COCC(=O)N1CCC[C@@H]1c1cccc(Cc2ccc(C)cc2)n1 72357855 BVTQWSFFTCMXFL-LJQANCHMSA-N 324.424 3.291 0 40 DGAB Cn1cc(C(=O)CSc2ccc(Br)cc2)cn1 78055749 OCGMXIDBQNITPS-UHFFFAOYSA-N 311.204 3.158 0 40 DGAB Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C[C@@H](C)N3)c1 78403863 XTXUHBDWCGFONF-CYBMUJFWSA-N 316.426 3.461 0 40 DGAB CO[C@@H](CNC(=O)CCc1cscn1)c1cccc(Cl)c1 78934526 QBHHRUHGRZXMKW-AWEZNQCLSA-N 324.833 3.233 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NC(=O)CSc1ccncc1 79022546 GLGIASQXPGLGPJ-UONOGXRCSA-N 310.488 3.354 0 40 DGAB Cc1noc(C)c1C(=O)NCc1nc2ccccc2n1C(C)C 79478713 MDXYSDVIVABIHY-UHFFFAOYSA-N 312.373 3.152 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@H](C)c2nccs2)s1 80120480 GMKAEVRNDIZTLY-SECBINFHSA-N 310.448 3.204 0 40 DGAB C[C@@H](CCc1ccccc1)NC(=O)Cc1ccc2c(c1)OCC2 85875427 CEBWOIWSJSEHRL-HNNXBMFYSA-N 309.409 3.302 0 40 DGAB biogenic Cc1cc([C@@H](C)NC(=O)N[C@H](C)c2cnn(C)c2)c(C)s1 89582369 PSSFGIFBBDQHAT-GHMZBOCLSA-N 306.435 3.220 0 40 DGAB Cc1cccc(Oc2ccccc2NC(=O)Cn2ccnn2)c1 89677862 ROFYQPSTTRVRQB-UHFFFAOYSA-N 308.341 3.018 0 40 DGAB Cc1ccc(CN2CCSCC2)cc1NCc1cc[nH]c1 95428867 DYYJYZWURHPCLK-UHFFFAOYSA-N 301.459 3.484 0 40 DGAB O=C1CCCN1CC[C@H]1CN(CC(F)(F)F)c2ccccc21 95432259 PCKYTAQJBWMSBC-LBPRGKRZSA-N 312.335 3.165 0 40 DGAB C[C@H](Sc1nc2ccccc2s1)C(=O)NCc1ccon1 95447220 OFZNGSBLSORNSZ-VIFPVBQESA-N 319.411 3.081 0 40 DGAB COc1ccccc1NC(=S)N[C@@H]1COc2ccccc21 95957041 DSDAEZYNJDTUHP-CYBMUJFWSA-N 300.383 3.115 0 40 DGAB Cc1nccn1Cc1ccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)cc1 95980659 LUPJVCDTCUGHGJ-KBXCAEBGSA-N 310.445 3.277 0 40 DGAB Cc1ccoc1CNc1ccc(Oc2cccc(C(N)=O)c2)nc1 95992338 KLUITGSWJDEMSC-UHFFFAOYSA-N 323.352 3.486 0 40 DGAB CC(C)(C)Sc1cc(C(=O)NC[C@H](O)c2ccco2)ccn1 95995265 YSPPBBJENWSVLK-LBPRGKRZSA-N 320.414 3.029 0 40 DGAB Cc1nnc(-c2cccc(C(=O)Nc3c(C)noc3C3CC3)c2)o1 96012109 AJNHICUPZBIJPY-UHFFFAOYSA-N 324.340 3.471 0 40 DGAB CC(C)OCc1ncn2c1CN(Cc1ccsc1)CCC2 96059044 DKJAPYUGXGIVDT-UHFFFAOYSA-N 305.447 3.276 0 40 DGAB CCCN1CC[C@@]2(CCCN(Cc3cccc(OC)c3)C2)C1 96215671 QBVTVRKWSDXFRB-IBGZPJMESA-N 302.462 3.393 0 40 DGAB Fc1ccc(CN2CCC3(CC2)C[C@H](N2CCCC2)CO3)cc1 96220744 WJTQRSUDHRZICH-SFHVURJKSA-N 318.436 3.045 0 40 DGAB COC(=O)C[C@H](c1ccccc1)c1c(O)ccc2nsnc12 96223155 BEGRHBYOCNTQSP-LLVKDONJSA-N 314.366 3.092 0 40 DGAB C[C@@H](C(=O)Nc1cc(C(=O)O)ccc1F)c1cccc(F)c1 97036170 JNJHHWGXGCDUMS-SECBINFHSA-N 305.280 3.405 0 40 DGAB CC1(C)[C@]2(C)CC[C@]1(C(=O)Nc1ccc(F)c(F)c1)OC2=O 100190161 XEUMLZTUWZTMIW-HZPDHXFCSA-N 309.312 3.025 0 40 DGAB S=C(NCCSCc1ccco1)N[C@H]1C[C@H]2CC[C@H]1C2 103250802 YFTLTNFONGJKFN-OBJOEFQTSA-N 310.488 3.166 0 40 DGAB O=C(c1ccccc1Cl)n1c(S)nc2ccccc2c1=O 103650432 PIZWKQZQWLGOGZ-UHFFFAOYSA-N 316.769 3.027 0 40 DGAB CN(CC(=O)N[C@H]1C[C@@H]2CC[C@@]1(C)C2(C)C)C(=O)OC(C)(C)C 195529879 VTLNVTXLJIHLIB-ZJNRKIDTSA-N 324.465 3.184 0 40 DGAB CCOP(=O)(OCC)[C@@H](C(=O)OC)c1cccc(C)c1 199524790 MLOIYQJOHBDMJU-CYBMUJFWSA-N 300.291 3.475 0 40 DGAB Cc1ccccc1OCC(=O)NCCOc1ccccc1Cl 223365736 SKAJBMODEQAREU-UHFFFAOYSA-N 319.788 3.222 0 40 DGAB CC[C@@H](C(=O)NCC1(OC)CCSCC1)c1ccccc1 225593097 CXHOLVBIECDAED-OAHLLOKOSA-N 307.459 3.209 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2CC[C@@H]1C2 225810096 NTUPIDBSZLTFNM-WDMOLILDSA-N 313.319 3.389 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)Cc3c(C)noc3C)C2)s1 257221819 DQQVPQBXPKYNRJ-CYBMUJFWSA-N 319.430 3.005 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 257283185 OXDCXJANQGBUQR-FVNWOWOISA-N 309.413 3.213 0 40 DGAB CNc1nccc([C@@H]2CCCCN2Cc2nccn2C(C)C)n1 257326466 WXIHUDGVJDUSFS-HNNXBMFYSA-N 314.437 3.023 0 40 DGAB Nc1ccccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1 257845403 PVGGHYYXIDQEOQ-UHFFFAOYSA-N 318.181 3.343 0 40 DGAB COCCN1C(=O)S/C(=C/c2ccc(Cl)s2)C1=O 409145701 RHPUILQEHICRNL-SOFGYWHQSA-N 303.792 3.084 0 40 DGAB OC1(c2ccccc2)C[C@@H]2CC[C@H](C1)N2CCc1ccncc1 583651286 KEWRHSSMSFPCML-YOFSQIOKSA-N 308.425 3.139 0 40 DGAB Cc1cc(C(=O)N[C@H](CO)c2cccc(Cl)c2F)cs1 585081956 JBPQWTFPNBKDOI-GFCCVEGCSA-N 313.781 3.312 0 40 DGAB C[C@H]1C(=O)Nc2ccccc2CN1Cc1ncc(Cl)s1 585116252 NTFMOCZGPNQYEX-VIFPVBQESA-N 307.806 3.139 0 40 DGAB Cc1cnc(OC2CCN(Cc3cc(F)cc(F)c3)CC2)nc1 653800994 WHBBKMGBEBAFHE-UHFFFAOYSA-N 319.355 3.107 0 40 DGAB Cc1ccc2c(c1)CN(C(=O)c1cc(F)cc(C(=O)O)c1)CC2 1600495022 FIXTZHHDUBAKDG-UHFFFAOYSA-N 313.328 3.031 0 40 DGAB O=C(/C=C/c1ccccc1)NC[C@H](O)c1ccc(-c2ccco2)o1 1775965581 DVYVURIABNJGEV-SHQCLWGWSA-N 323.348 3.403 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)c1cc(C2CCC2)ncn1 1889125065 WLSDHECWCWBJCT-UHFFFAOYSA-N 311.385 3.152 0 40 DGAB O=C(NCc1ccc2c3c(cccc13)C(=O)N2)c1cccs1 72105 FYEMGAFBYLDQQO-UHFFFAOYSA-N 308.362 3.397 0 40 DGAB C[C@@H]1CCCCN1C(=O)CSc1nnc(-c2cccs2)o1 416200 LXBWUUSXBZGCOB-SNVBAGLBSA-N 323.443 3.291 0 40 DGAB CC1CCN(C(=O)CN2C(=O)c3cccc4cccc2c34)CC1 479530 QBCQLMMKIQHOKF-UHFFFAOYSA-N 308.381 3.059 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1cc(C)cc(C)c1 583239 IBPZUAQSGVLAIZ-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CC(C)N(C(=O)c1ccco1)c1nnc(-c2cccnc2)s1 1345639 QQKZBWZGOZRJGM-UHFFFAOYSA-N 314.370 3.248 0 40 DGAB O[C@@]12CCCC[C@@H]1[C@H](c1ccc(Br)cc1)NCC2 1819142 VQLPEFMVRAUFFW-QLFBSQMISA-N 310.235 3.405 0 40 DGAB biogenic Cc1ccc2c(c1)c1ncnc(N3C[C@H](C)O[C@@H](C)C3)c1n2C 2380761 YJFASWNCROTCOJ-STQMWFEESA-N 310.401 3.044 0 40 DGAB COc1ccc(CNC(=O)CSc2ccc(F)cc2)cc1 2653008 PSWHEJQYDNQZDN-UHFFFAOYSA-N 305.374 3.243 0 40 DGAB Cc1ccc(NC(=O)CSC(=S)N(C)C)cc1Cl 3259141 PJKUWGSDSKUSBO-UHFFFAOYSA-N 302.852 3.167 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)cc1C 3384224 UJJRXTYXFOUTTP-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB COc1ccc(Cl)cc1NS(=O)(=O)c1ccccc1F 3581311 XSVDFHPQINKVJJ-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB Cc1ccc(Cl)c2sc(NC(=O)C3=COCCO3)nc12 4264291 HNHABISMFGWJNY-UHFFFAOYSA-N 310.762 3.085 0 40 DGAB O=C(COc1ccc(-c2ccccc2)cc1)Nc1ncccn1 4949065 CLMDTLGDBOISDA-UHFFFAOYSA-N 305.337 3.161 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccccc2C(C)=O)cc1 5260036 WXANKMQNDUHZGV-UHFFFAOYSA-N 303.383 3.252 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[C@H]1O 5568896 WBSMBQPDMCRAFO-NWDGAFQWSA-N 302.296 3.130 0 40 DGAB Fc1ccc(NCc2nnc(S)n2Cc2ccccc2)cc1 6557642 MCKIZJHIFBOOML-UHFFFAOYSA-N 314.389 3.366 0 40 DGAB O=C(NC1CCCCC1)C1CCN(C(=O)c2cccs2)CC1 7127252 JUTKEWILLFDHRT-UHFFFAOYSA-N 320.458 3.049 0 40 DGAB Cc1ccc(NC(=S)NCCCN2CCCCC2)cc1C 7369654 YXODSGLHKOPVRU-UHFFFAOYSA-N 305.491 3.466 0 40 DGAB CCCOc1ccc(C2=[N+]([O-])[C@@](C)(CC)N(O)C2(C)C)cc1 7813433 HSFXFGVFVUCMRZ-QGZVFWFLSA-N 306.406 3.384 0 40 DGAB C[C@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)c1ccccc1F 8349726 FNRHQKJBPORTPX-CYBMUJFWSA-N 324.359 3.240 0 40 DGAB CCN(CC)C(=S)SCCCn1c(=O)[nH]c2ccccc21 10153938 QKIGHCDBALMLMP-UHFFFAOYSA-N 323.487 3.080 0 40 DGAB CCC(=O)OCC(=O)Nc1ccc(OCc2ccccc2)cc1 10746142 GSKXGDIOUNWWCJ-UHFFFAOYSA-N 313.353 3.157 0 40 DGAB COCCNc1ncc(-c2ccsc2)c(-c2cccnc2)n1 12222524 MOYHCOCBSYLQSU-UHFFFAOYSA-N 312.398 3.325 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)c2cc3ccccc3[nH]2)cc1 12946629 XNYFVNNMBCVMPI-UHFFFAOYSA-N 307.353 3.122 0 40 DGAB O=S(=O)(NC1(c2ccccc2)CCC1)c1ccc(F)cc1F 12997259 VCISWEYWQMRFJY-UHFFFAOYSA-N 323.364 3.323 0 40 DGAB Cc1cc(SCC(=O)O)n2nc(C)c(-c3ccccc3)c2n1 13689925 XJZOHNRAOJPDOX-UHFFFAOYSA-N 313.382 3.190 0 40 DGAB O=C(NCCc1ccc2c(c1)OCO2)c1cc2ccccc2o1 14141695 OOZRRRRSFFDTDQ-UHFFFAOYSA-N 309.321 3.134 0 40 DGAB CCSc1nc(=O)n(-c2ccc(CC)cc2)c2c1CCC2 15840516 JADZFOKTVXACJB-UHFFFAOYSA-N 300.427 3.396 0 40 DGAB C[C@H](N1CCN(C)CC1)[C@@](O)(c1ccccc1)C1CCCCC1 19365814 WEMKXTZKYQLYKL-FXAWDEMLSA-N 316.489 3.090 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NCCC(C)C)cc1OC 20108888 GJRAGQIIUWAHCX-LBPRGKRZSA-N 311.447 3.347 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)Cc1ccccc1)CC3 20761166 DLJQSWWHOKZZEP-UHFFFAOYSA-N 320.392 3.304 0 40 DGAB biogenic CC[C@H](C)c1ccccc1OC[C@H](O)CN1C[C@H](C)O[C@H](C)C1 20807174 AAFRUTSENCMPBY-MWDXBVQZSA-N 321.461 3.049 0 40 DGAB CCCCN1C(=O)c2ccc(C(=O)N[C@H](C)CCC)cc2C1=O 20935831 UARPVDGXHZEYJG-GFCCVEGCSA-N 316.401 3.001 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)s1 21601055 YBYGNCJQDAVMQV-VIFPVBQESA-N 302.355 3.028 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NC[C@@H](c1ccccc1)N(C)C 22622923 VWJXVLKRXIRYLH-HNNXBMFYSA-N 315.417 3.139 0 40 DGAB Cc1cccc(OCCNC(=O)COc2cc(C)ccc2C)c1 24580173 GOLALWUMJWTWFX-UHFFFAOYSA-N 313.397 3.186 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2ccccc2OC)c1 24582266 RWSNOOSTDPSCMN-UHFFFAOYSA-N 322.368 3.226 0 40 DGAB O=C(Nc1ccc(-n2cncn2)cc1)C12CC3CC(CC(C3)C1)C2 24775671 LOUFIDFWIWMMCT-UHFFFAOYSA-N 322.412 3.422 0 40 DGAB Cc1nc(C(F)(F)F)ccc1C(=O)N1CCn2cccc2[C@@H]1C 24799558 NAFOACYIJAUUHL-NSHDSACASA-N 323.318 3.427 0 40 DGAB O=C(Cc1ccc(OC(F)F)cc1)Nc1nc2ccccc2[nH]1 25868126 BIWAKAQRJWBNIU-UHFFFAOYSA-N 317.295 3.346 0 40 DGAB CSc1ncc(C(=O)NC2CCCC2)c(NC2CCCC2)n1 31773369 UINDSBFYOHZOOP-UHFFFAOYSA-N 320.462 3.225 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cccc3cccnc23)cc1O 33769691 JHPBJTPCWNPELS-UHFFFAOYSA-N 314.366 3.050 0 40 DGAB CON(C)C(=O)c1cn(-c2ccccc2)nc1-c1ccc(C)o1 36037314 VMEPRJNDITXBMO-UHFFFAOYSA-N 311.341 3.074 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCCc3ccccc32)c2cnn(C)c2n1 36616316 DQYMYGACGHDKDQ-QGZVFWFLSA-N 320.396 3.084 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3cc(C)ccc3C)C2=O)cc1 36635338 PMWRSNKNSLWFBQ-KRWDZBQOSA-N 308.381 3.356 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccccc3Cl)C2=O)cc1 36635347 CXTFGQAKVVRTHT-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@H](Nc2ccc(C)cc2)C1=O 36635662 GSPOPMRNIYHVND-HNNXBMFYSA-N 324.380 3.138 0 40 DGAB CCOC(=O)CCC(=O)Nc1ccc(OC(C)C)c(Cl)c1 40074107 VKQONVIBOBUEBI-UHFFFAOYSA-N 313.781 3.409 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)n1cccc/c1=N\C(C)C 40093359 MZQYZJVZOLPQER-GHRIWEEISA-N 303.431 3.374 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCc1ccc(N2CCCCCC2)nc1 40122084 YGHYZKOGSXQYIA-MRXNPFEDSA-N 313.445 3.435 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CCCN(C(=O)C2CC2)C1 42469737 ZFGHIGMBYNQWQL-CYBMUJFWSA-N 320.820 3.236 0 40 DGAB O=C(Cc1cccc2cccnc12)NCCCOCc1ccco1 43753078 QHSKJCMEUFKUAA-UHFFFAOYSA-N 324.380 3.093 0 40 DGAB O=C(NCc1ccccc1F)Nc1cccc(-c2nnco2)c1 44087299 XBZPLPHWTPTJBR-UHFFFAOYSA-N 312.304 3.197 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)N1CCc2ccccc21 44087466 FHUVYOGOIPBJCT-UHFFFAOYSA-N 306.325 3.331 0 40 DGAB CC(C)[C@H](CNC(=O)Nc1nccs1)Nc1ccccc1 45485284 DKGHJNMGMQGBMQ-ZDUSSCGKSA-N 304.419 3.401 0 40 DGAB Cc1cc([C@@H]2CCCN2Cc2nc(-c3cccs3)no2)on1 47273542 JRKQJONFLICFAH-NSHDSACASA-N 316.386 3.432 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2)C1 47416248 PVDZAGUHQXXYCC-CALCHBBNSA-N 302.462 3.103 0 40 DGAB CC(C)c1nn(C)cc1CNCCc1cccc2cccnc12 48710857 BUUHHIWSHWVZNJ-UHFFFAOYSA-N 308.429 3.424 0 40 DGAB CCCN1CC[C@H](CNC(=O)C2(c3cc(C)cc(C)c3)CC2)C1 53408878 PZBMXXHWYQBSMW-QGZVFWFLSA-N 314.473 3.183 0 40 DGAB CC(=O)Nc1cccc2c1CCN(c1nc3ccccc3o1)C2 54125396 UWZYAXWNCJELLU-UHFFFAOYSA-N 307.353 3.349 0 40 DGAB C[C@@H](Nc1cccc(N2CCOC2=O)c1)c1nc(C2CC2)no1 56143900 DDKOFAGJNLAGPU-SNVBAGLBSA-N 314.345 3.077 0 40 DGAB COc1ccc2nc(C)cc(N3CCc4nc(C)ncc4C3)c2c1 58265108 UOVMVPIWLSOJHG-UHFFFAOYSA-N 320.396 3.213 0 40 DGAB COc1cccc(C(=O)NC(C)(C)c2noc(C(C)(C)C)n2)c1 58342459 QBCUNCACRKKMHV-UHFFFAOYSA-N 317.389 3.041 0 40 DGAB Cc1ccc2c(CCNC(=O)CC[C@H]3CCCO3)c[nH]c2c1 58354690 JVHWESQCKPLFCQ-OAHLLOKOSA-N 300.402 3.094 0 40 DGAB COc1ccc(C(=O)NC(=S)Nc2ccccc2C)cc1 59438877 YLNNJCHRISBUHS-UHFFFAOYSA-N 300.383 3.130 0 40 DGAB CCCC(=O)N1CCC(C(=O)N(CC)C2CCCCC2)CC1 59835307 GKWRCIXKIJPOCK-UHFFFAOYSA-N 308.466 3.206 0 40 DGAB CC(C)[C@H](NC(=O)/C(=C/c1ccccc1)c1ccccc1)C(=O)O 62714350 VTYDYAFCYBOIQE-KJCUYJGMSA-N 323.392 3.453 0 40 DGAB Cc1ccc(C(=O)NCc2cc3c(cc2C)OCCCO3)cc1 64667318 ZGTCNGFCGBTPJA-UHFFFAOYSA-N 311.381 3.395 0 40 DGAB CCc1ccsc1C(=O)Nc1ncn(Cc2ccccc2)n1 64808208 BKTXDLMZPWIHAH-UHFFFAOYSA-N 312.398 3.203 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N1CCC[C@H](C)CC1 68783159 HVDVTKXRHRJRHV-NSHDSACASA-N 316.430 3.171 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N1CCCc2cccc(F)c21 69530111 WUICWYMOLOQWNS-NSHDSACASA-N 315.392 3.259 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2c2cnn(C)c2)c2ccccc2n1 70004621 KMNFSCYCEFYOHA-GOSISDBHSA-N 320.396 3.254 0 40 DGAB O=C([C@H]1C[C@@H]1c1ccco1)N1CC=C(c2ccc(O)cc2)CC1 70013599 BFRPDICWCIVGOA-IRXDYDNUSA-N 309.365 3.405 0 40 DGAB CCOCC(=O)Nc1cccc(-c2nc3ccccc3n2C)c1 72273089 YPNAFAVUMNEEJO-UHFFFAOYSA-N 309.369 3.215 0 40 DGAB CC(C)(C)OC(=O)NCCCn1ccc2cc(C(=O)O)ccc21 72314741 MIXZCVQQJUQKNF-UHFFFAOYSA-N 318.373 3.254 0 40 DGAB in-vitro Cn1ccnc1CN1CC[C@@H](Cc2cccc3cccnc23)C1 72368082 OWTKMAPTMSVROF-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB COc1ccc(Cl)cc1CN1CCC[C@H]1c1noc(C)n1 75573052 REEXNRNRSCPVPR-ZDUSSCGKSA-N 307.781 3.377 0 40 DGAB C[C@H]1CCC[C@@H](OCc2cccc(NC(=O)N(C)CCO)c2)C1 77694651 KORYFLJUJCBGEZ-WMLDXEAASA-N 320.433 3.238 0 40 DGAB CSCCCCNC(=O)C(=O)Nc1c(C)cccc1C(C)C 77780559 BQEPISHMZFMBHY-UHFFFAOYSA-N 322.474 3.316 0 40 DGAB Cn1nnc2cc(COC(=O)CCCc3ccccc3)ccc21 78868945 WPIAJJQDMCWIDM-UHFFFAOYSA-N 309.369 3.034 0 40 DGAB COCC[S@](=O)Cc1cccc(NCc2ccc(F)cc2)c1 89420230 MHJKLRPBLZMINV-JOCHJYFZSA-N 321.417 3.333 0 40 DGAB Cc1[nH]ccc1C(=O)N1CC[C@@H](OCCCc2ccccc2)C1 89536744 NIMXLXFNAZBCLT-QGZVFWFLSA-N 312.413 3.187 0 40 DGAB O=C(c1c[nH]cc1-c1ccc(F)cc1)N1CC[C@@]2(CCOC2)C1 89793801 KEBZJXLOIRKYNY-GOSISDBHSA-N 314.360 3.073 0 40 DGAB CN1CC[C@H](NC(=O)c2cccs2)[C@@H]1c1ccc(F)c(F)c1 95449231 ZMAJSFQNAMKGBN-ZFWWWQNUSA-N 322.380 3.202 0 40 DGAB COc1cccc(-c2n[nH]c([C@H](N)c3ccc(Cl)cc3)n2)c1 95533950 VPPSYWCVTNSXJT-CQSZACIVSA-N 314.776 3.182 0 40 DGAB C[C@@H](NCCN1CCC(N(C)C)CC1)c1ccc(Cl)cc1 95968951 HDUBTEOWDTVCLB-CQSZACIVSA-N 309.885 3.017 0 40 DGAB CC(C)Oc1ncccc1OCC(=O)Nc1ccc(F)c(F)c1 96006435 CSAATNVZGMMFGX-UHFFFAOYSA-N 322.311 3.165 0 40 DGAB CC(C)Oc1ncnc2c1CCN(Cc1ccc(F)cc1)CC2 96058783 ICXFMKUHGCRXRO-UHFFFAOYSA-N 315.392 3.004 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)c3cccs3)cc2)C1 96122191 BDTQSBXAZSCEOY-CQSZACIVSA-N 302.399 3.226 0 40 DGAB CCc1ocnc1C(=O)N1CCCN(C)c2ccc(Cl)cc21 96425528 QOJWZBIHZYYSTO-UHFFFAOYSA-N 319.792 3.377 0 40 DGAB CC(C)(C)[C@H](NC(=O)N1CCC[C@@H](CO)C1)c1cccc(F)c1 96455240 VJEYNMGIWHXMTE-CZUORRHYSA-N 322.424 3.327 0 40 DGAB O=C(N[C@@H]1CCCOc2cc(Cl)ccc21)C1=COCCC1 96493038 UECDHVYJMUKBOD-CQSZACIVSA-N 307.777 3.364 0 40 DGAB O=C1OC(c2ccccc2OC(F)F)=N/C1=C/c1ccco1 96635201 SCEHLUVXXXGUCO-DHZHZOJOSA-N 305.236 3.226 0 40 DGAB O=C(O)CCc1ccc(NC(=O)c2cccc3cc[nH]c23)cc1 97020496 HRXCXBYKYQSHQP-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB Cc1ccc(O)c(CNc2ccc(C(=O)NC(C)C)c(C)c2)n1 97050984 MUZNZMDCOSUJOK-UHFFFAOYSA-N 313.401 3.154 0 40 DGAB C[C@H](O)CNC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1 97101130 PTELBMXATJJPPB-JTQLQIEISA-N 312.797 3.164 0 40 DGAB O=C(N[C@@H]1CCOC2(CCCCC2)C1)c1ccc(O)cc1F 97232821 PUZDCMTZDQOXEP-GFCCVEGCSA-N 307.365 3.143 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccccc3Cl)C2=O)cc1 101275153 CXTFGQAKVVRTHT-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB Clc1ccccc1[C@@H]1C=C(c2cccnc2)Nc2ncnn21 101353396 QXPYHTQQVKIUOX-HNNXBMFYSA-N 309.760 3.383 0 40 DGAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COCC[C@@H]1C[C@@H]2CC[C@@H]1C2 104492708 JQWADFJXACVBHO-UIWVKPTASA-N 309.494 3.453 0 40 DGAB CC(=O)Nc1cccc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 104803269 JDFGTTCCVKMFBL-YSLLHCQFSA-N 300.402 3.200 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@@H]2C(=O)N1c1cccc2ccccc12)[C@@H]1C[C@H]31 169305901 VIUCACLIKCQYBA-SGVZTEBKSA-N 315.372 3.397 0 40 DGAB O=C(Nc1ccc2ccccc2c1)[C@H]1[C@H]2C=C[C@H](C2)[C@H]1C(=O)O 169616378 WVULZFFLGAIVPQ-HDEZJCGLSA-N 307.349 3.301 0 40 DGAB Cc1noc(C)c1[C@@H](C)CC(=O)Nc1cc(C(=O)O)cs1 191384980 YHGOEORKFDIHHY-ZETCQYMHSA-N 308.359 3.183 0 40 DGAB CCCC[C@H](CC)CNC(=O)COc1ccc2nccnc2c1 199420958 LAHFTRJOOAPZOW-AWEZNQCLSA-N 315.417 3.341 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCSCc1ccco1 216380524 TUYQWOCIFOBJMA-AWEZNQCLSA-N 319.426 3.405 0 40 DGAB O=C(Nc1cnc2cc(C(F)(F)F)nn2c1)c1ccsc1 225572030 CUIWYYXXTQONOB-UHFFFAOYSA-N 312.276 3.062 0 40 DGAB COc1cccc(CNC(=S)Nc2ccc(F)c(F)c2)c1 225834523 RQISITVPJAFABK-UHFFFAOYSA-N 308.353 3.460 0 40 DGAB CCc1ccc(CN2[C@H]3CC[C@H]2Cc2c(O)nc(C)nc2C3)cc1 247978374 WBSHPIRITDNBBW-IRXDYDNUSA-N 323.440 3.185 0 40 DGAB COCCn1nc(-c2ccc(F)cc2)c(Br)c1C 253592789 YYQACURLMZESDA-UHFFFAOYSA-N 313.170 3.407 0 40 DGAB O=C(c1nccc2ccccc12)N1CCC[C@H](c2cnccn2)C1 257231505 GHACVHHYIPZIAS-HNNXBMFYSA-N 318.380 3.045 0 40 DGAB Cc1cn[nH]c1[C@H]1CCCN(C(=O)Cc2ccc3c(c2)CCC3)C1 257291093 QFPRXIVSUNPUHQ-SFHVURJKSA-N 323.440 3.156 0 40 DGAB O=Cc1cn(Cc2cc(F)cc(F)c2)c2cc(F)ccc2c1=O 390823195 VTSXOOPIRKBVIM-UHFFFAOYSA-N 317.266 3.280 0 40 DGAB Cn1c(N2CCN(c3ccccc3F)CC2)nc2ccccc21 427512175 RQTUWLUYLXNNOP-UHFFFAOYSA-N 310.376 3.039 0 40 DGAB CN1CCN(c2ccc(Br)cc2C(F)F)CC1 575629397 VOLCJDCAVTZTCC-UHFFFAOYSA-N 305.166 3.139 0 40 DGAB Cc1cnc(OC2CCN(Cc3cccc(Cl)c3)CC2)nc1 653799154 OTIYBFSLBNQWAL-UHFFFAOYSA-N 317.820 3.482 0 40 DGAB Cc1nnsc1C(=O)N[C@H](c1ccsc1)c1cccs1 828234692 FXHUFNHKPDCGBJ-LLVKDONJSA-N 321.452 3.489 0 40 DGAB Cc1cc(NCc2cccc(F)c2)nc(C2CCNCC2)n1 1848356740 LSEMITCXHKCFAN-UHFFFAOYSA-N 300.381 3.003 0 40 DGAB CC(C)(C)c1nccc(N2CCC(Oc3nccs3)CC2)n1 2086882943 CJAQDRQLTSUPKF-UHFFFAOYSA-N 318.446 3.278 0 40 DGAB Cc1cc(C(=O)OCc2ccc3nonc3c2)c2ccccc2n1 34403 CJSWMTLHSGEYLC-UHFFFAOYSA-N 319.320 3.436 0 40 DGAB O[C@@H](COc1ccc2ccccc2c1Cl)Cn1ccnc1 110619 GSNNOKDBTTZMEU-CYBMUJFWSA-N 302.761 3.130 0 40 DGAB O=C1N[C@H](c2ccc(OC(F)(F)F)cc2)Nc2ccccc21 146019 JTZCSBLNJHKQPI-CYBMUJFWSA-N 308.259 3.439 0 40 DGAB Brc1cccc2c3c4n(c12)C[C@@H]1CO[C@@]4(CCC3)O1 379043 ZOWFPMLIIOJIMT-PSLIRLAXSA-N 320.186 3.322 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3ccc(F)cc3)oc2c1 557382 XEEYUYIOZJCYBV-UHFFFAOYSA-N 313.288 3.178 0 40 DGAB COc1ccc(/C=C/S(=O)(=O)Nc2ccccc2)cc1OC 1402047 CYEHRSHBEIDVII-ZHACJKMWSA-N 319.382 3.116 0 40 DGAB CC[C@@H](C)Nc1nc(Cl)nc(NCCOc2ccccc2)n1 3066434 HBRNAWQGTBFUMO-LLVKDONJSA-N 321.812 3.226 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)C1CCCCC1 3314260 NSVSKRBCEWWRAH-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB C[C@H](NC(=O)CNC(=O)C1CCCCC1)c1cccc(Cl)c1 3410856 JUWPKUWSTIZPHD-LBPRGKRZSA-N 322.836 3.214 0 40 DGAB Oc1nc(Nc2ccccc2F)nnc1Cc1ccc(F)cc1 4317188 VGOAIOZQHPZAHU-UHFFFAOYSA-N 314.295 3.190 0 40 DGAB C=CC(=O)Nc1ccc(C(=O)Nc2ccc(C(C)=O)cc2)cc1 4458639 XVPIAAWSBDTQOJ-UHFFFAOYSA-N 308.337 3.266 0 40 DGAB CCn1c([C@@H](NC(=O)c2ccccc2)C(C)C)n[nH]c1=S 5445077 NCWFGGQZJUYXEQ-LBPRGKRZSA-N 304.419 3.088 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c1C 6338414 NHEXVWPQYCEKDN-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB CC(=O)Nc1cccc(C(=O)OCCOc2ccccc2F)c1 6514777 DUESVULBHFTYKS-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB COc1ccccc1NC(=O)Oc1ccccc1NC(C)=O 6585912 ALLQYJGRCDONRG-UHFFFAOYSA-N 300.314 3.265 0 40 DGAB Cc1nnc(CN2CCC(c3nc4ccccc4s3)CC2)o1 6978565 JMDTULCUOBECIO-UHFFFAOYSA-N 314.414 3.367 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 7032422 IKFHHRSQOLOWMP-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CC1CCC(N(C)C(=O)c2ccc(N3CCCC3=O)cc2)CC1 7240370 MFNSVYNVAZCXSI-UHFFFAOYSA-N 314.429 3.464 0 40 DGAB CCOc1ccccc1C(=O)OCC(=O)Nc1ccc(C)cc1 7509238 VXOZIQUSNXZQMF-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CC[C@H](NC(=O)[C@@H]1COc2ccccc2O1)c1ccc(C)cc1 7792623 QYIKJJPTEKTFSR-YJBOKZPZSA-N 311.381 3.402 0 40 DGAB COC(=O)c1ccc(NC(=O)CCc2nc3ccccc3o2)cc1 8276091 ZSAWCJHVNDUPPW-UHFFFAOYSA-N 324.336 3.186 0 40 DGAB O=C(O)Cn1nc(C2CC2)c2c(C(F)F)cc(C3CC3)nc21 12395314 LBZRFWDWIORPRA-UHFFFAOYSA-N 307.300 3.208 0 40 DGAB Cc1ccc(-n2cnnc2SCC(=O)Nc2ccccc2)cc1 12521963 GNWBPOGSKVCFLW-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB Cc1ccc(C(=O)NCCCOC(C)C)cc1-n1cccc1 12528545 VLCKWXWNGUYBEN-UHFFFAOYSA-N 300.402 3.331 0 40 DGAB CN(Cc1cccc(F)c1)C(=O)c1cnn(-c2ccccc2)c1 12886606 XFNZPQAQSCACCC-UHFFFAOYSA-N 309.344 3.284 0 40 DGAB Cc1ccc(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)cc1 12905794 IHVBIRIVJRPYNV-UHFFFAOYSA-N 324.384 3.338 0 40 DGAB CCCCC(=O)N[C@H](C)c1nc(-c2ccccc2OC)no1 13495149 LXLHIBYKKSBXOM-LLVKDONJSA-N 303.362 3.113 0 40 DGAB CCCCSc1nc2nc3c(cn2n1)C(=O)CC(C)(C)C3 13634199 OJEQRELDOGCEJJ-UHFFFAOYSA-N 304.419 3.172 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccncc2)c(OC)c1 15829176 IRIGGMSJGJFCNT-INIZCTEOSA-N 312.369 3.076 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)Sc2nnnn2C(C)(C)C)cc1 16290656 CVSMYEHRAJQPHU-LLVKDONJSA-N 304.419 3.100 0 40 DGAB CCN(CC)CCNc1nc(-c2ccccn2)cc2ncccc12 19526416 VNVUXOZTMZDPDA-UHFFFAOYSA-N 321.428 3.446 0 40 DGAB Cc1cc(S(=O)(=O)NCC2(c3ccccc3)CC2)c(C)s1 21869756 PXMUQCPKEWVOIB-UHFFFAOYSA-N 321.467 3.375 0 40 DGAB Cc1ccc(C)c(C(=O)N(C)C[C@H]2COc3ccccc3O2)c1 23183602 LTFUDMMYJYMTOH-HNNXBMFYSA-N 311.381 3.215 0 40 DGAB Cc1c([C@H](C)NC(=O)/C=C/c2ccc([C@@H]3C[C@@H]3C)o2)cnn1C 25001846 XBUGHCFKYQWQGM-AGPJPCNESA-N 313.401 3.336 0 40 DGAB CCN(CC)CCNc1nc2c(OC)ccc(OC)c2s1 26424047 LMOLAOHCAVZAIM-UHFFFAOYSA-N 309.435 3.067 0 40 DGAB Cc1noc([C@H](C)Nc2ccc(N3CCCC3=O)c(Cl)c2)n1 26991034 PJWLFIOIABDOMQ-VIFPVBQESA-N 320.780 3.331 0 40 DGAB CCn1c(C)cc(C(=O)NCCOc2cccc(C)c2)c1C 27107536 CMXZUFHEONANLE-UHFFFAOYSA-N 300.402 3.242 0 40 DGAB COc1cccc2cc(C(=O)N(C)c3ccccc3)c(=O)oc12 27172880 MSGQFQGAYVQRHG-UHFFFAOYSA-N 309.321 3.078 0 40 DGAB Cc1cccc(C(=O)NCCN2CCc3ccccc3C2)c1C 30363268 KJSMMRCUNSIGJC-UHFFFAOYSA-N 308.425 3.092 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)NCC(C)(C)c1ccccc1 32474130 PJRRRNWYJIWHRI-UHFFFAOYSA-N 318.461 3.023 0 40 DGAB O=C(NCc1cccc(Cl)c1)c1ccn(-c2ccccc2)n1 32914157 HJCLNHZFJFVVJS-UHFFFAOYSA-N 311.772 3.456 0 40 DGAB O=C(NCC1CCCCC1)[C@@H]1CC(c2cccc(F)c2)=NO1 33146839 VSYXJKMLFLPHJV-INIZCTEOSA-N 304.365 3.015 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)NC1(C(=O)O)CCCC1 37419929 RSIGRRRGGQUURV-UHFFFAOYSA-N 316.184 3.050 0 40 DGAB O=C(O)C[C@@H](NC(=O)OCc1ccccc1)c1ccccc1F 38580536 JXLVFSVXIZGSCT-OAHLLOKOSA-N 317.316 3.268 0 40 DGAB CCc1nc(NC(=O)c2cc(OC)cc(OC)c2)sc1C 40118985 PBYFRYODLVJEBP-UHFFFAOYSA-N 306.387 3.283 0 40 DGAB C[C@@H](Sc1nncs1)C(=O)Nc1cnc2ccccc2c1 42713765 WAKPCNAARWYCQY-SECBINFHSA-N 316.411 3.206 0 40 DGAB CCN1CCC[C@H]1CNC(=O)Cc1c(Cl)cccc1Cl 44670874 LHSAORDNHPFUND-NSHDSACASA-N 315.244 3.136 0 40 DGAB Cc1noc(CCCC(=O)N(C)Cc2ccc([C@@H]3C[C@H]3C)o2)n1 44939485 CHOSXWRTUCZPCL-BXUZGUMPSA-N 317.389 3.076 0 40 DGAB CC[C@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)C 44948513 JXFPPJOQMZZWSR-SFHVURJKSA-N 314.429 3.065 0 40 DGAB O=C(NC1CC1)N(Cc1cccc(Br)c1)C1CC1 46063066 YATBNQJDXPKFHK-UHFFFAOYSA-N 309.207 3.286 0 40 DGAB Cc1ccn(-c2ccc(C(=O)NCc3cccc(F)c3)cc2)n1 46783869 FMIVQSLTEBHTRJ-UHFFFAOYSA-N 309.344 3.250 0 40 DGAB COCCCNC(=O)c1sc(-c2ccccc2)cc1OC 48190321 UUPLOPWOETZMTI-UHFFFAOYSA-N 305.399 3.190 0 40 DGAB Cc1cc(NC(=O)C(C)(C)C)sc1C(=O)Nc1ccn(C)n1 48287010 QAKOXSIXAGTFAC-UHFFFAOYSA-N 320.418 3.027 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(CNC(=O)C[C@H]2C=CCC2)cc1 48909147 LCRKOZSGCNGBQX-GJZGRUSLSA-N 314.429 3.187 0 40 DGAB COc1cc(C(=O)OCc2nccs2)cc(Cl)c1OC 49014967 ABQIFDLVSSGFAL-UHFFFAOYSA-N 313.762 3.171 0 40 DGAB CCOc1ccc(NC(=O)N(C)CCCOC)cc1Cl 49358622 SDGDELNDHJIDRU-UHFFFAOYSA-N 300.786 3.239 0 40 DGAB COCCc1nc(N)cc(Nc2cc(Cl)cc(Cl)c2)n1 49467727 ALHRMNCLLFEKQR-UHFFFAOYSA-N 313.188 3.298 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)NC1CCCCCC1 54446791 WHBLCHRTFBBQDS-CQSZACIVSA-N 312.413 3.341 0 40 DGAB C=Cn1cc(CN(Cc2ccccc2)C[C@H]2CCCO2)c(C)n1 57810982 WLFLFSITGIVRNO-LJQANCHMSA-N 311.429 3.473 0 40 DGAB COC(=O)[C@H](c1ccccc1Cl)N(C)Cc1csc(C)n1 57995687 DQPQGPKYADPKKZ-AWEZNQCLSA-N 324.833 3.451 0 40 DGAB Cc1cnn(CC(=O)Nc2cnccc2Oc2ccccc2)c1 58344170 KKUOMXKHQGLHIM-UHFFFAOYSA-N 308.341 3.018 0 40 DGAB Cc1nc(NC(=O)[C@H](c2ccccc2)n2cccn2)sc1C 65737054 GJNRZFGKYVHHPO-AWEZNQCLSA-N 312.398 3.185 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@@H]1CN1CCCC1 66944566 GTKRBANDYWXDGP-IEBWSBKVSA-N 312.457 3.193 0 40 DGAB Cc1c(C(=O)N(C2CC2)[C@H](C)C(C)C)[nH]c2c1C(=O)CCC2 69465752 VUMQCMINFRCXLO-GFCCVEGCSA-N 302.418 3.491 0 40 DGAB CC(C)c1nnc2n1C[C@@H](CNC/C=C/c1ccccc1)CC2 69597866 GBOJEVYLPUZXTB-RCMYXZNBSA-N 310.445 3.267 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3ccnc3)C2)c1 69919500 HQAYKZVJKOIEJN-BZSNNMDCSA-N 309.413 3.159 0 40 DGAB COC(=O)c1ccc(OCCCc2ccccc2)c(OC)c1 71793617 IOOROFAKQLAQPA-UHFFFAOYSA-N 300.354 3.493 0 40 DGAB CSCC[C@H](C)NC(=O)Nc1ccc(-c2csnn2)cc1 72290927 MRSYXEQNALKHJZ-JTQLQIEISA-N 322.459 3.468 0 40 DGAB CC[C@@H]1CCCCCN1C(=O)Nc1ccc(C(N)=O)c(F)c1 72292610 ZIKMLDIFYPYAGI-GFCCVEGCSA-N 307.369 3.111 0 40 DGAB CC[C@](C)(CCCNC(=O)Cc1ccccc1F)C1OCCO1 72306333 PCWLKRDINNLXFA-GOSISDBHSA-N 323.408 3.054 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1cn[nH]c1-c1ccccc1 72328828 QULUHTVBKHTUNY-KRWDZBQOSA-N 303.365 3.494 0 40 DGAB COCC[C@H](C)C(=O)N1CCS[C@@H](C)[C@@H]1c1ccccc1 73815127 GVLHILYIEJUSDT-OFQRWUPVSA-N 307.459 3.364 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]2CCCC[C@H]21 74536860 VFIRGYWDYKRRML-LSDHHAIUSA-N 304.438 3.013 0 40 DGAB Cn1ccnc(NCC2(c3cccs3)CCCCC2)c1=O 78297074 USISPOZCHHBQCE-UHFFFAOYSA-N 303.431 3.156 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)N(C)Cc2ccncc2)cc1 78869555 NLBDCBLNKOWCQL-CYBMUJFWSA-N 316.426 3.229 0 40 DGAB CC(=O)c1ccccc1NCc1csc(-c2cnn(C)c2)n1 79068330 HVKXCCZYMSQZNB-UHFFFAOYSA-N 312.398 3.358 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)N1CCC[C@]2(CC=CCC2)C1 79349508 QTRBLQAQEKATLG-KBXCAEBGSA-N 316.449 3.321 0 40 DGAB Cc1cnc(C(=O)N2CC[C@@H](CSc3ccccc3)C2)cn1 81287000 FQFHEGWPOHCLSJ-CQSZACIVSA-N 313.426 3.039 0 40 DGAB O=C(O)c1ccc(OCc2ccc(Br)cc2)nc1 84221387 BFPFQDVRFRXFFB-UHFFFAOYSA-N 308.131 3.121 0 40 DGAB COc1ccc(C)c(NC(=O)Nc2cccc([S@@](C)=O)c2)c1 89646775 SDHZPQXUKABCNS-QFIPXVFZSA-N 318.398 3.385 0 40 DGAB C[C@]1(CNC(=O)N[C@H](CCCO)c2ccccc2)CCCS1 89919366 HHJWQORQLWRNKD-NVXWUHKLSA-N 322.474 3.085 0 40 DGAB C[C@H](N[C@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 95422122 HAOVAOKSOIUZBQ-NHYWBVRUSA-N 321.346 3.428 0 40 DGAB CC(=O)N1CCCc2cc(NCc3nc(C)cs3)ccc21 95428960 ZMNQDRCBQMMBDE-UHFFFAOYSA-N 301.415 3.363 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(OC(F)(F)F)cc1CCO 95486387 HROWNRQWVHCQQC-UHFFFAOYSA-N 321.295 3.467 0 40 DGAB CC[C@@H](C)CN1CCN(C(=O)c2ccc(F)cc2Cl)CC1 95964865 RNDWIVISZXDOQP-GFCCVEGCSA-N 312.816 3.283 0 40 DGAB c1cn(C2CCCC2)nc1CN[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 95988102 WOITVOIRMASVPJ-KURKYZTESA-N 315.461 3.436 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)[C@]2(C)CC(c3ccccc3)=NO2)C1 96192711 UPVSBELNSKKWIP-LBTNJELSSA-N 300.402 3.074 0 40 DGAB COC[C@H]1CCN(C(=O)Nc2ccc(N3CCCC3)c(C)c2)C1 96417942 LPRSQSRAJHLBPU-HNNXBMFYSA-N 317.433 3.095 0 40 DGAB CC[C@H]1COCCN1C(=O)Nc1ccccc1OCC1CC1 96435198 PAPZNPINVWKRQD-AWEZNQCLSA-N 304.390 3.118 0 40 DGAB C[S@@](=O)C[C@H](NC(=O)CC1=CCCCC1)c1ccccc1 96445382 AHNOQKLSRITQEB-KKSFZXQISA-N 305.443 3.113 0 40 DGAB O=C(CCn1cccn1)N1C[C@H]2CCCC[C@@]21c1ccccc1 97019265 OQDISPDOWPMBQX-IEBWSBKVSA-N 309.413 3.201 0 40 DGAB Cc1nnc(SCN2CCCCC2=O)n1[C@H]1CCC[C@H](C)C1 97080637 NHIFSNDZCKQPJI-JSGCOSHPSA-N 322.478 3.400 0 40 DGAB COC(=O)C1(C(=O)N[C@H](C)c2oc3ccc(F)cc3c2C)CC1 97146431 XYBCTWCWCGZQDG-SNVBAGLBSA-N 319.332 3.011 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)Nc2ccncc2)o1 97147926 TUNZNLYVEVFUEH-AWEZNQCLSA-N 301.346 3.190 0 40 DGAB COc1ccc(N2C(=O)[C@@H](C)[C@H](Cc3ccc(C)cc3)C2=O)cc1 100539002 VBULHFYJIXMMEF-KSSFIOAISA-N 323.392 3.372 0 40 DGAB CCN(C(=O)c1csc([C@@H]2CCCO2)n1)c1ccncc1 152359921 IIPASNAEWRLWQH-ZDUSSCGKSA-N 303.387 3.056 0 40 DGAB CCCCNC(=S)Nc1ccc(Oc2ccccc2)nn1 225186840 WOLJUXVWFOEUIT-UHFFFAOYSA-N 302.403 3.355 0 40 DGAB COc1ccc2cc(C(=O)N(Cc3cccn3C)C3CC3)[nH]c2c1 225617399 QFXQXYJRLSTNIA-UHFFFAOYSA-N 323.396 3.320 0 40 DGAB CO[C@H]1CN(Cc2ccnc3ccccc23)CC[C@@]12CCCO2 257256279 KKUNSQHUGVMACG-OALUTQOASA-N 312.413 3.005 0 40 DGAB CNc1cc([C@H]2CCCN(C(=O)c3cccs3)C2)ccn1 257341521 ZKRZPCKOKNXWQE-ZDUSSCGKSA-N 301.415 3.205 0 40 DGAB C[C@H](NC(=O)Oc1ccccc1)C(=O)NC1CCCCCC1 408736724 GFOXMXAZEASCER-ZDUSSCGKSA-N 304.390 3.003 0 40 DGAB Cc1cnn([C@H]2CCN(C(=O)c3coc4c(C)cccc34)C2)c1 580640869 DZPRZUUSGUFEKX-AWEZNQCLSA-N 309.369 3.333 0 40 DGAB CCOC1(C(=O)N[C@H]2Cc3ccc(Cl)cc3C2)CCCC1 585081276 XATWMJYXSQXHTR-HNNXBMFYSA-N 307.821 3.273 0 40 DGAB Cc1cnc([C@@H]2CCN(C(=O)c3c(C)n(C)c4ccccc34)C2)[nH]1 2037677818 LLSMJNZQDNZZQL-CQSZACIVSA-N 322.412 3.148 0 40 DGAB COc1ccc([C@@H]2OC(C)(C)[C@@H]3C[C@H](O)[C@@H](C)[C@@H]2C3)cc1O 2037843767 IKIRSIUFJCAMLB-OTUNNCPPSA-N 306.402 3.274 0 40 DGAB COc1ccc(C(=O)Nc2ccccc2C(=O)N2CCCC2)cc1 351419 PIIBKPSVXIZPGI-UHFFFAOYSA-N 324.380 3.184 0 40 DGAB Fc1ccc(N2CCN(C(=S)c3ccccc3)CC2)cc1 527235 IXGABNNKNIMUSD-UHFFFAOYSA-N 300.402 3.323 0 40 DGAB COc1ccc(-c2nc(-c3ccc(C)o3)cc(=O)o2)cc1OC 1271067 WKXWJJPXMBITSO-UHFFFAOYSA-N 313.309 3.287 0 40 DGAB Fc1cccc2c(N3CCCNCC3)cc(C(F)(F)F)nc12 2243387 BVXOFEATSZXALH-UHFFFAOYSA-N 313.298 3.192 0 40 DGAB CC(=O)CSc1nc2ccccc2c(=O)n1-c1ccc(C)cc1 2622859 IXASGQXDDHKLTR-UHFFFAOYSA-N 324.405 3.375 0 40 DGAB COc1ccc(C(=O)COC(=O)[C@@]2(C)CC2(Cl)Cl)cc1 3262455 XDLFPYSIDQWFAK-CYBMUJFWSA-N 317.168 3.005 0 40 DGAB O=C(CSc1ncnc2ccccc12)NCC1CCCCC1 3294964 DAAKRGNLUDBQLJ-UHFFFAOYSA-N 315.442 3.418 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(C)oc2C)c(C)c1 3320071 DTOFLLYLYARMET-UHFFFAOYSA-N 301.342 3.309 0 40 DGAB O=C(OCc1ccccc1Cl)c1ccc2c(c1)OCCO2 3459880 MTPBZMLPFINUIQ-UHFFFAOYSA-N 304.729 3.468 0 40 DGAB Cc1ccc2cc(CCNC(=O)c3ccccc3)c(=O)[nH]c2c1C 3911887 CPLMFBHWRPDYGI-UHFFFAOYSA-N 320.392 3.117 0 40 DGAB O=C1C[C@H](C(=O)N2CCCc3ccccc32)CN1c1ccccc1 4975487 CMCWWLWGRWZWIS-INIZCTEOSA-N 320.392 3.019 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(N2CCCC2=O)cc1 5439813 LYNIZMSILDMEKQ-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB CN(C)CCCn1c(-c2ccccc2)nc2ccccc2c1=O 5718016 NNXJQUWLMNNQBI-UHFFFAOYSA-N 307.397 3.015 0 40 DGAB CCc1ccc(NC(=O)[C@@H]2CC(c3ccccc3OC)=NO2)cc1 6738288 BPGYMHCPJBKQEH-SFHVURJKSA-N 324.380 3.389 0 40 DGAB CN(C)C(=O)[C@@H](OC(=O)c1cc2ccccc2[nH]1)c1ccccc1 6847653 FBXMVUFKRUBLIR-KRWDZBQOSA-N 322.364 3.154 0 40 DGAB CC[C@@H](NC(=O)COc1ccccc1F)c1ccc(OC)cc1 7037363 AXMFSIIMGJJMJK-MRXNPFEDSA-N 317.360 3.481 0 40 DGAB Cc1nc(C)c(C(=O)OCc2cc(-c3ccco3)on2)s1 7401753 ITAVVGHXAHDMJR-UHFFFAOYSA-N 304.327 3.365 0 40 DGAB COc1cc2c3c(c1)c1nnc(S)nc1n3C(C)(C)C=C2C 7449514 DBSQQGVCHXIZGY-UHFFFAOYSA-N 312.398 3.429 0 40 DGAB CC1(C)[C@@H]2CC=C([C@@H]3NC(N)=Nc4nc5ccccc5n43)[C@H]1C2 7738556 NPWRIMCTAVGORR-IXPVHAAZSA-N 307.401 3.077 0 40 DGAB COc1ccc(C)cc1NC(=O)[C@@H](C)OC(=O)c1ccsc1 8256214 AMFUYDMPPKXYOK-LLVKDONJSA-N 319.382 3.249 0 40 DGAB COc1cccc(CNC(=O)c2cc(Cl)c3c(c2)OCO3)c1 8305000 MYTHBVNIJZEFMN-UHFFFAOYSA-N 319.744 3.007 0 40 DGAB CCc1c(C(=O)Nc2ccc(OC)cc2)cnn1-c1ccccn1 8715207 IGMIZMPWRUHQME-UHFFFAOYSA-N 322.368 3.091 0 40 DGAB Cc1ccc2c(c1)CCCN2Cc1nc(N)c2ccccc2n1 8747382 MMNMHLKSRSIBCI-UHFFFAOYSA-N 304.397 3.473 0 40 DGAB COc1ccc(OC)c(NC(=O)Cc2ccc(C)c(OC)c2)c1 9366616 YRHLSLUCZQPAON-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB Cc1nc(Nc2ncc3c(n2)CCCC3=O)nc2c(C)cccc12 9487098 NVUUAIOEGFKWFN-UHFFFAOYSA-N 319.368 3.299 0 40 DGAB CCC(=O)c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1 11566411 OHKRGWFWPZEDRF-UHFFFAOYSA-N 304.367 3.355 0 40 DGAB CN(C)c1ccc(CCCNC(=O)CCc2ccccc2)cc1 11693650 KANBEGCVRAFFFH-UHFFFAOYSA-N 310.441 3.434 0 40 DGAB O=c1[nH]c(Nc2ccc(F)c(Cl)c2)nnc1-c1ccccc1 11905819 KAVVNKLYEZJCSK-UHFFFAOYSA-N 316.723 3.368 0 40 DGAB Cc1cc(C)c2cc3c(nc2c1)OCC(=O)N(Cc1ccco1)C3 12113094 YASHHBQXNSEGDZ-UHFFFAOYSA-N 322.364 3.366 0 40 DGAB Cc1cc(C)c(C(=O)NCC2CCN(C(C)C)CC2)c(C)c1 12442783 JOMICNZDAMKCMJ-UHFFFAOYSA-N 302.462 3.462 0 40 DGAB COc1ccccc1[C@@H](C)NCC(=O)Nc1ccccc1F 13038917 FUVAFAHTUQUSFP-GFCCVEGCSA-N 302.349 3.124 0 40 DGAB CCCc1cc(OC(=O)OCC)n(-c2nc3ccccc3[nH]2)n1 13611111 MXNGBJFCMCYAAM-UHFFFAOYSA-N 314.345 3.236 0 40 DGAB Cc1cc(CSc2nnc(NCc3ccco3)s2)on1 14808777 CXSJIERZQAZNDS-UHFFFAOYSA-N 308.388 3.332 0 40 DGAB COc1cccc(CNC(=O)CSc2ccc(C)cc2)c1 15923674 DJTYUCRQZOOGAH-UHFFFAOYSA-N 301.411 3.412 0 40 DGAB Cc1cc(C)c(C(=O)Nc2cccc(-c3nnn[nH]3)c2)c(C)c1 17031558 HZMLPEYXYPBUSR-UHFFFAOYSA-N 307.357 3.044 0 40 DGAB CCOc1ncccc1C(=O)OCc1cc(-c2ccco2)on1 18199652 RTGNUETWDVTBJZ-UHFFFAOYSA-N 314.297 3.085 0 40 DGAB O=C(CCc1cccnc1)NCc1ccccc1OC(F)(F)F 22191828 CULDZMVZTMLPRT-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB CC(C)c1noc(COC(=O)c2sccc2-n2cccc2)n1 22751493 UAXOPRDZZXPVFC-UHFFFAOYSA-N 317.370 3.402 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)c2cccc(Nc3ncccn3)c2)C1 24490886 RJUPYTBEKIWQJR-ZIAGYGMSSA-N 310.401 3.338 0 40 DGAB Cc1ccc(NC(=O)c2ccc3c(c2)NC(=O)[C@@H](C)S3)nc1 24765597 LVBQIJXAQCXHRQ-SNVBAGLBSA-N 313.382 3.075 0 40 DGAB CN(Cc1cnn(C)c1)C(=O)c1cc(F)c(Cl)cc1Cl 25047467 PMZWQIJDHGPMNJ-UHFFFAOYSA-N 316.163 3.138 0 40 DGAB FC(F)(F)c1ccnc(Nc2cccc(Cn3cccn3)c2)n1 25503216 ZVRXROHEEYRXDB-UHFFFAOYSA-N 319.290 3.484 0 40 DGAB CCCC[C@H](CC)CNC(=O)c1cccc(S(C)(=O)=O)c1 29431072 VMVDVKHYBXZZSR-ZDUSSCGKSA-N 311.447 3.036 0 40 DGAB CC(=O)N[C@H](C)C(=O)Nc1ccc(SC2CCCC2)cc1 30183773 FPVZAZIWNATZKK-LLVKDONJSA-N 306.431 3.184 0 40 DGAB CCn1nc(C)c(CNC(=O)c2ccc(OC(C)C)cc2)c1C 32611060 COJIULRYYKVVQK-UHFFFAOYSA-N 315.417 3.237 0 40 DGAB Clc1ccc(CN2CCN(c3cnccn3)CC2)c(Cl)c1 32894944 DIZOSJBOEAAGQZ-UHFFFAOYSA-N 323.227 3.106 0 40 DGAB O=C(O)CC1(CC(=O)Nc2nnc(C3CC3)s2)CCCCC1 32906055 CBVNHTNYDKWGHY-UHFFFAOYSA-N 323.418 3.169 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H]1CCCN(c2nc3ccccc3s2)C1 32933150 KZCFRNSWFPZAKJ-CHWSQXEVSA-N 317.458 3.427 0 40 DGAB C[C@H]1[C@@H](C)Nc2ccc(C(=O)O)cc2N1C(=O)OC(C)(C)C 35572131 QPPPNLHIKVCISK-ZJUUUORDSA-N 306.362 3.329 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)c1cc(=O)c2ccccc2o1 40457503 GCQSVQZGEDWMBP-LBPRGKRZSA-N 305.333 3.384 0 40 DGAB C[C@H](NC(=O)c1cnns1)c1ccc(Cl)cc1Cl 40554628 NGIDLODTPCUDCF-LURJTMIESA-N 302.186 3.336 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)c1cccc2[nH]ncc12 42023900 XDAAGPHSEQVVBR-UHFFFAOYSA-N 309.369 3.022 0 40 DGAB CN(Cc1ccccc1N1CCCC1)C(=O)Nc1nccs1 42754401 SNLVBKFRCIFKGL-UHFFFAOYSA-N 316.430 3.407 0 40 DGAB CCc1noc([C@@H]2CCCCN2C(=O)c2cc(C)oc2C)n1 46087184 YEGPCTOVKOEJTD-ZDUSSCGKSA-N 303.362 3.209 0 40 DGAB Cc1ccc(C(=O)Nc2ccc3c(c2)OC(C)(C)C(=O)N3)cc1 46089255 WATXAWYLCLHEBC-UHFFFAOYSA-N 310.353 3.357 0 40 DGAB O=C(Nc1cccnc1N1CCCC1)c1ccc2ccccc2n1 47255046 MFCCTVWYKKSJFC-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB Cn1ncc2c1N=C(O)CS[C@H]2c1cccc2cccnc12 49546499 WQPBCWLKBRXPKF-HNNXBMFYSA-N 310.382 3.393 0 40 DGAB C[C@@H](OC(=O)Cc1cccc2cccnc12)c1nc(C2CC2)no1 50626275 RYUHLJLUIJUCOU-LLVKDONJSA-N 323.352 3.342 0 40 DGAB CCN(CC)C(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1 53675854 XWJKQEUDSBTWLQ-QGZVFWFLSA-N 310.397 3.026 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@H]2NC(=O)Cc1cccs1 57252407 MFLKFQUYHYTHSR-CQSZACIVSA-N 317.458 3.436 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)c3cccc(C(N)=O)c3)c2)o1 66857303 OIPSTKAXUIBVDG-UHFFFAOYSA-N 321.336 3.001 0 40 DGAB CN1CCC2(CCC1=O)CCN(c1nccc3ccccc13)CC2 67908215 SKVQJCWGBCHRNL-UHFFFAOYSA-N 323.440 3.464 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1oc2c(OC)cccc2c1C 69372894 JGOZPHXAWHKHDM-ZDUSSCGKSA-N 317.385 3.248 0 40 DGAB COCCN(Cc1ccco1)C(=O)Nc1cc(C(C)(C)C)on1 69588441 DIRPRRSEKQTXCK-UHFFFAOYSA-N 321.377 3.246 0 40 DGAB CCC[C@H](NC(=O)CC)c1nc(-c2ccc3c(c2)OCO3)c[nH]1 69895958 ZOOJBLPOEVIPHU-LBPRGKRZSA-N 315.373 3.173 0 40 DGAB C[C@H](NCc1cc(-c2cccs2)on1)[C@@H](C)n1cccn1 69951936 GZXQZTSIHYYUKQ-NWDGAFQWSA-N 302.403 3.339 0 40 DGAB COc1ccc(C2=CCN(Cc3nnc(C4CC4)o3)CC2)cc1 71824745 GCAXXENZTHQIIF-UHFFFAOYSA-N 311.385 3.245 0 40 DGAB C[C@H]1CN(Cc2nc(C(C)(C)C)no2)C[C@H](c2ccccc2)O1 71828244 RAPCEJVPXHHRLU-DZGCQCFKSA-N 315.417 3.329 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(C(=O)N2CCCCC2)c(O)c1 71921044 VARUCUHOVSVWAG-UHFFFAOYSA-N 320.389 3.365 0 40 DGAB CCOc1cc(C(=O)NC2CCCCC2)nn1-c1ccccc1 72264705 BGSQODBWCWDXBT-UHFFFAOYSA-N 313.401 3.334 0 40 DGAB O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1ccc2ccccc2c1 72273026 MVVVMZBMBYJGQG-RBUKOAKNSA-N 303.361 3.228 0 40 DGAB CC(C)(C(=O)N1CCC[C@H](c2ccn[nH]2)C1)c1cccs1 72285773 AARQMQQVMJOHMT-LBPRGKRZSA-N 303.431 3.155 0 40 DGAB O=C(N[C@H]1CCC[C@H](O)C1)C1c2ccccc2Oc2ccccc21 75156754 BOLFTIVDHITOFN-KBPBESRZSA-N 323.392 3.344 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N(Cc1cccnc1)C1CC1 84967845 CFVDWJVVFAJTAF-CYBMUJFWSA-N 313.426 3.148 0 40 DGAB O=C(N1C[C@H]2CCC[C@@H]2C1)C1(c2cccc(F)c2)CCOCC1 89774868 KZTIHTKDIFDZSV-HUUCEWRRSA-N 317.404 3.132 0 40 DGAB O=C(Nc1ccncc1)N1CC(Cc2ccccc2Cl)C1 89813881 VESRLIGDIBAAAX-UHFFFAOYSA-N 301.777 3.441 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)Nc1cnc2ccccc2c1 89919960 KSBQQGUFQJGVBQ-XIKOKIGWSA-N 320.348 3.402 0 40 DGAB CCn1ccnc(NCC2(c3ccc(F)cc3)CCCC2)c1=O 91000620 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Cc1ccc(NC(=O)Nc2c(C)nc(N(C)C)nc2C)cc1F 224298308 QJCWQWORWZLBCS-UHFFFAOYSA-N 317.368 3.251 0 40 DGAB CN(C)c1nccc([C@H]2CCCCN2Cc2ccsc2)n1 257214985 COENIBQGLFUOLA-OAHLLOKOSA-N 302.447 3.331 0 40 DGAB O=C(C1CCC(F)(F)CC1)N1CCC[C@H](Cc2ccn[nH]2)C1 257324009 WMUIEUPJHXGMLY-GFCCVEGCSA-N 311.376 3.016 0 40 DGAB Cc1cc(C(=O)N2CC[C@H](Cc3cnc4ccccc4c3)C2)no1 257331286 XSDOOHVYKWXFCZ-CQSZACIVSA-N 321.380 3.236 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)CCc3ccccc3F)C2)n1 257331661 XTSOTYDTGPCYDZ-OAHLLOKOSA-N 315.392 3.196 0 40 DGAB Cc1cc(N2CCCC[C@H]2C)nc(NC(=S)NCC(C)C)n1 260737735 NREYYQXZSNREEQ-CYBMUJFWSA-N 321.494 3.106 0 40 DGAB COc1cc2c(cc1OC)CN(c1ccncc1Cl)CC2 267299950 UJHGXFKKXOARAH-UHFFFAOYSA-N 304.777 3.315 0 40 DGAB COc1cccc2ncnc(N3CCC(c4c[nH]nc4C)CC3)c12 557673456 WIMZUBRIESAWCI-UHFFFAOYSA-N 323.400 3.054 0 40 DGAB Cc1cc([C@H](O)CNC(=O)Nc2ccccc2Cl)c(C)o1 1565520270 KRFMQWPKRFOQNE-CQSZACIVSA-N 308.765 3.405 0 40 DGAB COc1ccc(-c2ncc(NC(=O)c3ccsc3)cn2)cc1 1775968840 WXCOVJNZAJRMHA-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1cnn(CC2CN(c3nc4ccc(Cl)cc4o3)C2)c1 1889149000 SIEFLPLWPLYEAT-UHFFFAOYSA-N 302.765 3.123 0 40 DGAB CC(C)N(CCC(=O)O)C(=O)c1ccc(C(F)(F)F)cc1 37584994 BNTDZXAZZXWCJO-UHFFFAOYSA-N 303.280 3.031 0 40 DGAB O=c1c2ccccc2nc(-c2ccccc2Br)n1O 1270701 BNESCTMDEOGSHO-UHFFFAOYSA-N 317.142 3.063 0 40 DGAB CN(Cc1cccn1C)C(=O)c1ccc(Br)cc1 79107874 VAGUYOPVWJMFOP-UHFFFAOYSA-N 307.191 3.060 0 40 DGAB COC(=O)c1ccoc1COC(=O)c1cc2c(s1)CCCC2 24037923 INMFCNWJVOFTOG-UHFFFAOYSA-N 320.366 3.364 0 40 DGAB COc1ccc2[nH]cc([C@@H](O)CN3C[C@@H](C)C[C@H](C)C3)c2c1 4871538 CAPKXBVTQCWBKD-LXIYXOSZSA-N 302.418 3.188 0 40 DGAB CCc1ccc([C@@H]2S[C@@H](C)C(=O)Nc3[nH]nc(C)c32)cc1 6678334 FZNKVXYWLZXRKA-HZMBPMFUSA-N 301.415 3.444 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)c2ccccc2OC)c1 6763494 XZUNHAJFLLLYOS-LBPRGKRZSA-N 315.369 3.203 0 40 DGAB COc1ccccc1COC[C@H](O)CN[C@@H](C)CCCC(C)C 6906679 JBBDURRRSRDHQN-FUHWJXTLSA-N 323.477 3.377 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)c3cccs3)c2c1 10146579 FGFHVEWPIXHZGL-UHFFFAOYSA-N 300.383 3.211 0 40 DGAB COc1ccc(/C=C/C(=O)O)cc1COCc1c(C)noc1C 34925040 SFQQHPKWSUMXKQ-FNORWQNLSA-N 317.341 3.115 0 40 DGAB Cc1nn(C2CCCC2)c(Cl)c1C(=O)C1C(=O)CCCC1=O 103619400 VRILVTVMMCHMOT-UHFFFAOYSA-N 322.792 3.081 0 40 DGAB O=S(=O)(Cc1ccccc1)Cc1coc(-c2ccccc2)n1 44640734 ZCVHNRPTUMFQPB-UHFFFAOYSA-N 313.378 3.457 0 40 DGAB COc1cc(-c2csc(NC3CC3)n2)cc(OC)c1OC 9741169 AYGFKGPILGRGMX-UHFFFAOYSA-N 306.387 3.410 0 40 DGAB CCOc1ccc(C(=O)Nc2nc(C)c(C(C)=O)s2)cc1 27663483 NJPWAWBAHXXEEC-UHFFFAOYSA-N 304.371 3.305 0 40 DGAB Cc1ccc(CN2CCC3(CC2)CC(NC(=O)N(C)C)C3)s1 108531455 OWJISNXNBYZLRH-UHFFFAOYSA-N 321.490 3.072 0 40 DGAB CN(C)Cc1ccc(CNC(=O)N2CCc3ccccc3C2)cc1 58202346 QQAGYYOBWANOHA-UHFFFAOYSA-N 323.440 3.016 0 40 DGAB C[C@H]1CN([C@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 108350279 XKHZFFVTORRINN-ISTVAULSSA-N 303.233 3.102 0 40 DGAB CCCc1cc(=O)[nH]c(S[C@H](C)c2nc(C(C)C)no2)n1 27774711 HWACHGLOOPSOLB-SECBINFHSA-N 308.407 3.082 0 40 DGAB c1cnc(N2CCC(Nc3ccc4ccccc4n3)CC2)nc1 44976024 FVVYOYWTSMNIIG-UHFFFAOYSA-N 305.385 3.106 0 40 DGAB CONC(=O)c1nn(-c2ccc(Cl)cc2)c2c1CCCCC2 48346046 OWFLKEJERUXFNM-UHFFFAOYSA-N 319.792 3.086 0 40 DGAB CCCn1nc(C(=O)N(CCC(C)C)CCC(C)C)ccc1=O 58638291 XNZQGQZQNANFGJ-UHFFFAOYSA-N 321.465 3.188 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccccc1O 12885068 UVAMURMYEINSMQ-KRWDZBQOSA-N 322.364 3.295 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)Nc2nc3c(s2)CCC3)cc1 12899723 LSDDYPGCBZDXHZ-LLVKDONJSA-N 302.399 3.346 0 40 DGAB CCc1ccccc1N1C(=O)/C(=C/c2cccc(O)c2)NC1=S 105556303 PYRKXKUJBZJJLH-PTNGSMBKSA-N 324.405 3.217 0 40 DGAB CCO[C@@H]1C[C@H](OC(=O)[C@@H]2CSCCS2)C12CCCC2 95455084 VGKLZTVBGKZOES-XQQFMLRXSA-N 316.488 3.116 0 40 DGAB C[C@H](O)C[C@H]1CCCN1C(=O)[C@@H](C)SCc1ccccc1 95434742 AXYMEODOKYMEMP-SQWLQELKSA-N 307.459 3.070 0 40 DGAB CCCN1C(=O)CCc2cc(NC(=O)NC(C)(C)C)ccc21 22507413 KZEOOOLOEVUYLL-UHFFFAOYSA-N 303.406 3.296 0 40 DGAB CC(C)[C@H](NC(=O)c1ccccc1)C(=O)N1CCc2ccccc21 3451588 CUIKMQUOSKUDMN-SFHVURJKSA-N 322.408 3.030 0 40 DGAB O=C1C[C@@H](c2cccc(OCc3ccccc3)c2)c2c[nH]nc2N1 20737907 NBNZHKDMOZFXIX-INIZCTEOSA-N 319.364 3.463 0 40 DGAB COc1cccnc1NC(=O)c1cc(-c2ccccc2F)on1 60330435 MQAXPKSKMXTVIW-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1ccc(C)c(NC(=O)CCNC(=O)c2ccsc2)c1 12987058 YCMCOMZHBMWCMZ-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CCCCCNC(=O)N1CCC(C(=O)Nc2ccccc2)CC1 12971278 QWTVDJBCTFDZQD-UHFFFAOYSA-N 317.433 3.237 0 40 DGAB COCC[C@H](C)S(=O)(=O)Oc1cc(C)ccc1C(C)C 96006776 RCSPZGQZCUOVOS-ZDUSSCGKSA-N 300.420 3.252 0 40 DGAB COc1ccccc1Cc1nnc(S[C@@H]2CCC[C@@H]2OC)o1 96010420 GWVNCLAPMGYYRV-UONOGXRCSA-N 320.414 3.329 0 40 DGAB CCc1nnc(-c2ccc(NC(=O)N[C@H](C)C(C)C)cc2)o1 72309711 OYNKJKREQMZDAA-LLVKDONJSA-N 302.378 3.465 0 40 DGAB CCc1nn2c(NCCOC)cc(C)nc2c1-c1ccccc1 5206143 IEQFTABONWWSLW-UHFFFAOYSA-N 310.401 3.325 0 40 DGAB CN1C(=S)N(C2CCCCC2)C(=O)/C1=C/c1ccc(O)cc1 4466253 GHFHHTQRBPVPTA-PTNGSMBKSA-N 316.426 3.125 0 40 DGAB CCOC(=O)c1c(-c2ccccc2OC)cn2c1SCC2=O 6550146 QGUNFIBMAWGCIR-UHFFFAOYSA-N 317.366 3.086 0 40 DGAB CN1CCCc2cc(NC(=O)COc3ccc(F)cc3)ccc21 64846875 QFEHLGWFHFTFQR-UHFFFAOYSA-N 314.360 3.226 0 40 DGAB Cc1cccc(NC(=O)N2CCCN(c3ccccc3)CC2)n1 97378626 VORCWZVMLQGDBI-UHFFFAOYSA-N 310.401 3.134 0 40 DGAB O=C(CN1CCc2ccccc2C1)Nc1ccc(F)c(F)c1F 6648652 FRTVQDGCNXCIEU-UHFFFAOYSA-N 320.314 3.101 0 40 DGAB CCNC(=O)c1cc(Cl)ccc1NC(=O)c1scnc1C 67171672 ASGKLYVYZKBOBU-UHFFFAOYSA-N 323.805 3.107 0 40 DGAB O=C1CCCC(=O)C12Cc1ccc(Cl)cc1N1CCC[C@@H]12 4915131 IFPVUKHPSCVJEK-CQSZACIVSA-N 303.789 3.173 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CCNC(=O)c1ccco1 15796368 IJFMAESOBGCACT-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB C[C@H](CNC(=O)C12CC3CC(CC(C3)C1)C2)CC1(C)OCCO1 97594325 NHJUIRZZCYIEKA-IWUURBKTSA-N 321.461 3.108 0 40 DGAB CC(C)CN1C(=O)[C@@](O)(CC(=O)c2ccccc2)c2ccccc21 68713174 PDOQWMRDTHNSFU-HXUWFJFHSA-N 323.392 3.150 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)N1CC[C@@H]2CCCC[C@H]2C1 7985345 WAXBPJICBKWXDE-HOTGVXAUSA-N 315.413 3.039 0 40 DGAB CCCCS(=O)(=O)Nc1ccc(OCC)c(OCC)c1 8195536 UHZIFPABCKZETM-UHFFFAOYSA-N 301.408 3.026 0 40 DGAB COc1ccc(CN(C)[C@@H](C)C(=O)Nc2ccccc2C)cc1 8130885 STBCRIIDBCHQDA-HNNXBMFYSA-N 312.413 3.463 0 40 DGAB C[C@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294417 PMPVIXJBTZJTRG-WCBMZHEXSA-N 315.200 3.046 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)N(C)CC(=O)Nc1ccc(Cl)c(Cl)c1 8294414 PMPVIXJBTZJTRG-SCZZXKLOSA-N 315.200 3.046 0 40 DGAB C[C@H]1CCCCN1CCCNC(=O)c1cc2ccccc2o1 8351287 LNYPMKIIOFZSMU-AWEZNQCLSA-N 300.402 3.427 0 40 DGAB COc1ccc(C2(c3nnc(C(C)C)o3)CCOCC2)cc1 71889849 VXAIVFZYUKSJQP-UHFFFAOYSA-N 302.374 3.298 0 40 DGAB Cc1nnc(NC(=O)c2csc(-c3ccccc3)n2)s1 17345711 OTPWBUWXRNUIBC-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB C[C@](CO)(NC(=O)Nc1cccc2cccnc12)c1ccccc1 69620406 KOWCPYMNRKQREA-LJQANCHMSA-N 321.380 3.264 0 40 DGAB CCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1nc2ccccc2o1 69601378 LMWMPQOOQIVMIA-CABCVRRESA-N 313.401 3.198 0 40 DGAB COc1cc(F)ccc1NC(=O)N[C@H](C)c1nc(C)cs1 69647591 NKEOGSNQKZGSSO-SECBINFHSA-N 309.366 3.482 0 40 DGAB CC1([C@@H]2CCCN(C(=O)NCCC3=CCCCC3)C2)OCCO1 96501821 LIRNGAVMESBUOW-MRXNPFEDSA-N 322.449 3.062 0 40 DGAB COc1cccc(NC(=O)N[C@@H](C)[C@H](O)c2ccc(F)cc2)c1 69769743 NXGNYJWHQYDPAX-ZBEGNZNMSA-N 318.348 3.078 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](n2ccnc2)C1 69848522 VTNSUADEKLCPMR-HNNXBMFYSA-N 322.368 3.015 0 40 DGAB Cc1occc1CNC(=O)c1cccc(Nc2cnccn2)c1 71915465 VKOOUVFSRJIJAF-UHFFFAOYSA-N 308.341 3.052 0 40 DGAB Cc1nnc(SCc2c(Cl)cccc2Cl)nc1O 9691947 FIBIVBYZPYKWQO-UHFFFAOYSA-N 302.186 3.485 0 40 DGAB CCCCc1c(O)nc(Nc2nc3ccccc3s2)[nH]c1=O 8971193 MSCYWZTUIOGCCI-UHFFFAOYSA-N 316.386 3.171 0 40 DGAB FC(F)(F)c1cc([C@@H]2CCCN(CCc3ccccn3)C2)n[nH]1 84609928 LMOZHFHUVCCMBX-GFCCVEGCSA-N 324.350 3.246 0 40 DGAB CCn1c(C(=O)NCC2([C@@H](O)C(C)C)CC2)cc2ccccc21 95463271 RDNYAIHLGVAJJE-KRWDZBQOSA-N 314.429 3.188 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@@H](C)Nc2ccc(C)nc2)cc1 97038096 ILFPBDBYJOWPEK-CYBMUJFWSA-N 319.430 3.325 0 40 DGAB CC(=O)c1cccc(COC(=O)c2cc(C(C)C)nn2C)c1 95438215 DBYPFVQEHKKGFL-UHFFFAOYSA-N 300.358 3.103 0 40 DGAB C[C@H](NC[C@H]1COC2(CCCCC2)O1)c1ccc2c(c1)COC2 95463501 UDNJZZKHWSPBAF-KSSFIOAISA-N 317.429 3.443 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1CC[C@@H](C)C[C@@H](C)C1 95434940 YVCIXZQXJLMJNZ-CHWSQXEVSA-N 307.438 3.302 0 40 DGAB Cc1n[nH]c2ncc(NC(=O)Cn3cc(C)c4ccccc43)cc12 89702070 SXTKLESBZBULDC-UHFFFAOYSA-N 319.368 3.168 0 40 DGAB O=C(NCCOc1ccc2ccccc2c1)NCc1cccnc1 32841234 DCUPWVDTRDSCHH-UHFFFAOYSA-N 321.380 3.113 0 40 DGAB CC1CCN(Cc2ccc(C(=O)NCc3ccco3)cc2)CC1 38849049 VPMQXORZHVYLCU-UHFFFAOYSA-N 312.413 3.442 0 40 DGAB O=C(Cc1ccccc1)N(Cc1ccccn1)Cc1ccco1 35312526 PJXBNGWFJCQJJH-UHFFFAOYSA-N 306.365 3.446 0 40 DGAB CC(=O)Nc1nc(-c2ccc(C)c(C)c2)c(CC(=O)O)s1 31976093 KCHDEHUWNKZKSD-UHFFFAOYSA-N 304.371 3.012 0 40 DGAB Cc1c(C(N)=O)c2ccccc2n1C(=O)c1ccccc1Cl 216952920 YEKWOCRGYMULDM-UHFFFAOYSA-N 312.756 3.391 0 40 DGAB C[C@@]1(C(=O)NCc2cccc(-c3ccccn3)c2)CCCCO1 566782031 PVHNNNNWVUVXJQ-IBGZPJMESA-N 310.397 3.324 0 40 DGAB CSc1nccc(N[C@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203275 OVMMVKZTEOEFIN-NSHDSACASA-N 324.450 3.010 0 40 DGAB CC(C)Cc1noc([C@H]2CCCCN2C(=O)c2ccco2)n1 41123410 PFUZRQYUKVWTQF-GFCCVEGCSA-N 303.362 3.229 0 40 DGAB CC(=O)NC1CCC(N[C@H]2CC[C@H](c3ccccc3)C2)CC1 225420622 RTJXJVPOBFPLOS-RGVPCPSESA-N 300.446 3.360 0 40 DGAB O=C(C1CC1)N1CC[C@H](c2nc3ccc(C(F)(F)F)cc3[nH]2)C1 49168742 YIJIVHMYIJPFIL-JTQLQIEISA-N 323.318 3.308 0 40 DGAB biogenic,in-vitro CC(C)(C)OC(=O)CCSc1ncncc1Br 225646694 UEVHVDDJGDTNEC-UHFFFAOYSA-N 319.224 3.063 0 40 DGAB CCOc1ccc(NC(=O)c2cccnc2Br)cc1 41107464 OJDWIQPFEHDRHU-UHFFFAOYSA-N 321.174 3.495 0 40 DGAB Cc1ccc(-c2n[nH]c(S[C@H](C)c3nnc(C)o3)n2)cc1 63532420 AIKRCKSWODUPCB-SECBINFHSA-N 301.375 3.325 0 40 DGAB Cc1cc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)ccc1F 41096610 KNJHDBNYVXPNNH-LBPRGKRZSA-N 305.374 3.274 0 40 DGAB CCCCOc1c(I)cc(F)cc1C=O 225271706 JSFQRKFBMZELKB-UHFFFAOYSA-N 322.117 3.422 0 40 DGAB CC(C)C[C@@H]1N[C@H](C(=O)NC(C)C)Cc2c[nH]c3cccc1c23 49171396 BLTCUHUIPFCDJA-IRXDYDNUSA-N 313.445 3.294 0 40 DGAB biogenic,in-vitro CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OCC)ccc1OC 225816602 ODHSBLSAWJBKKH-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB Cc1n[nH]c(O)c1[C@@H](c1c(O)n[nH]c1C)[C@H](C)c1ccccc1 96193460 PMCXESAVYTUFLG-SECBINFHSA-N 312.373 3.096 0 40 DGAB C[C@H]1OCC[C@]1(C)NC(=O)c1ccc(-c2ccccc2F)o1 332223376 ZAFLASWCWZQRCU-DIFFPNOSSA-N 303.333 3.383 0 40 DGAB COc1ccc(NC(=O)NCCCCn2ccnc2C)cc1C 96434224 OYHDSKIGXBPLDA-UHFFFAOYSA-N 316.405 3.110 0 40 DGAB COCC[C@@H]1CCOC12CCN(C(=O)CC1=CCCCC1)CC2 247884195 RDBQOUIFLUWCIS-QGZVFWFLSA-N 321.461 3.311 0 40 DGAB Cn1ncc2ccc([C@H]3CCCN(Cc4cccs4)C3)nc21 257328722 XGVSOIWORJMOHZ-AWEZNQCLSA-N 312.442 3.409 0 40 DGAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@@H](C)C(F)(F)[C@H](C)C1 634937659 PVGPXNKEGGTWMW-LALPHHSUSA-N 319.392 3.263 0 40 DGAB O[C@@H]1[C@@H](NCc2ccccc2)CCC[C@H]1Oc1ccc(F)cc1 585284342 HKOZIHMVMWIWMC-IPMKNSEASA-N 315.388 3.276 0 40 DGAB O=C([C@H]1CCCN(Cc2ccccc2)C1)N1CCC(F)(F)CC1 684519059 CZHSDGXTJWJBRB-INIZCTEOSA-N 322.399 3.156 0 40 DGAB CCOCc1ccccc1NC(=O)N(CC)C[C@@H]1CCCO1 69036399 WFKLMHGOPOAXAR-HNNXBMFYSA-N 306.406 3.256 0 40 DGAB CCc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 199308 PNIIUQVLAWJJRN-GZTJUZNOSA-N 324.355 3.481 0 40 DGAB COc1ccccc1CCC(=O)Nc1ccc(NC(C)=O)cc1 5556352 UESSRFBCUGENDU-UHFFFAOYSA-N 312.369 3.225 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@H]1c1ccc(C)o1 12420844 TVIZCJFXSRUZHU-AWEZNQCLSA-N 312.325 3.014 0 40 DGAB NC(=O)Cc1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1 13715636 YKIGKMKSEXVWHG-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB COc1cc2c(cc1CN1[C@H]3CC[C@@H]1c1cccnc1C3)OCO2 19550508 BSEMQYPMCSTCQM-XJKSGUPXSA-N 324.380 3.081 0 40 DGAB CC(=O)N1CCC(c2nc(C3CC3)ncc2-c2ccncc2)CC1 19016795 FJEYGCOCNQDHPE-UHFFFAOYSA-N 322.412 3.142 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CCn1c(=O)sc2ccccc21 245885 WAJXCAKTLUJXNW-CHWSQXEVSA-N 318.442 3.148 0 40 DGAB CC(C)OC(=O)c1nn(-c2ccc(F)cc2)c2c1CCCC2 10886189 XLJCXFGSUWSMET-UHFFFAOYSA-N 302.349 3.455 0 40 DGAB c1ccc(N2C[C@@H]3CCN(c4nsc5ccccc45)[C@@H]3C2)nc1 1889191882 LDRUHRUHKXMAHL-DZGCQCFKSA-N 322.437 3.406 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 32912082 DKGVEZQPXTUMNI-IBGZPJMESA-N 308.425 3.389 0 40 DGAB COc1cccc([C@@H](CNC(=O)C2CCCC2)N2CCCC2)c1 22869489 DCGXGEXPWZQAKQ-GOSISDBHSA-N 316.445 3.139 0 40 DGAB COc1ccc(CNC(=O)CSCc2ccc(F)cc2)cc1 262685 IZIYNEWBDVQEDP-UHFFFAOYSA-N 319.401 3.384 0 40 DGAB CCN(CCO)Cc1csc2c(Br)cccc12 338987 JPGYWEDVFQHAFR-UHFFFAOYSA-N 314.248 3.478 0 40 DGAB CCCC(=O)Nc1ccc(NC(=O)c2ccc(OC)cc2)nc1 1358513 FROUJKNBBXWFLN-UHFFFAOYSA-N 313.357 3.081 0 40 DGAB CC(=O)Nc1ccc(/C=C/c2ncc(/C=C/C(=O)O)s2)cc1 78999020 RLKSUZUARWHMES-QDJBHUIFSA-N 314.366 3.370 0 40 DGAB C[C@H](NC(=O)c1cccc2c1Oc1ccccc1S2)C(=O)O 1582118 FCRUDFQNRPVFBU-VIFPVBQESA-N 315.350 3.146 0 40 DGAB CC(C)CNCCC(=O)Nc1ccc(C(=O)OCC(C)C)cc1 1671428 CJZLTBIXYGUPLS-UHFFFAOYSA-N 320.433 3.074 0 40 DGAB Nc1cnccc1N1CCN(c2cccc3ccccc23)CC1 1729499 QXWFYXOYZJRUQB-UHFFFAOYSA-N 304.397 3.144 0 40 DGAB CCCn1ccnc1SCC(=O)Nc1ccc(N(C)C)cc1 12575976 AZNLWRBTWRRMTG-UHFFFAOYSA-N 318.446 3.090 0 40 DGAB CC(C)Oc1ccccc1[C@@H](C)N[C@@H](C(N)=O)c1ccccc1 55151838 DKNVHNJZMPUFQB-RDTXWAMCSA-N 312.413 3.351 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)O[C@@H]1CCCC[C@@H]1O 4800364 UPZNNAMOUNPNMB-DRRXZNNHSA-N 312.450 3.311 0 40 DGAB CNC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C1CC1 25356279 ODNZXSUGANFEHT-NSHDSACASA-N 301.415 3.112 0 40 DGAB CON(C)C(=O)C1=NN(c2ccccc2)[C@H](c2ccccc2)C1 43728488 XNPMVWIWKWUBBV-KRWDZBQOSA-N 309.369 3.014 0 40 DGAB CON(C)C(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 10213654 SPUHIORVXXMUGM-UHFFFAOYSA-N 301.371 3.029 0 40 DGAB CN1C(=O)N(Cc2ccc(Cl)s2)C(=O)C12CCCCC2 48235042 RZVWOMDTBOFLGJ-UHFFFAOYSA-N 312.822 3.498 0 40 DGAB O=C(COc1ccc(Br)cc1)Nc1ccccc1O 9155905 MNKGMTGBMXXRSZ-UHFFFAOYSA-N 322.158 3.172 0 40 DGAB CCOC(=O)Nc1cccc(NCc2nc(C3CC3)no2)c1C 58434486 XMLUXMFFNDBPNL-UHFFFAOYSA-N 316.361 3.436 0 40 DGAB CC[C@@H](C)NC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 20886580 YHLRIHZBELMHDO-CRAIPNDOSA-N 324.424 3.463 0 40 DGAB CCCC[C@@H](C(=O)O)[C@@H](C)CC(=O)Nc1cccc(C(=O)O)c1 2302594 RDRKSNUMTIBROZ-SMDDNHRTSA-N 321.373 3.241 0 40 DGAB CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 104131715 OLMKBFCEYDUCLB-RFNRLQJWSA-N 303.377 3.111 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1ccccc1-n1ccnc1 45860137 VCSKFWLJZDKWNO-UHFFFAOYSA-N 311.316 3.029 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1ccc2ccccc2n1 3426702 BVLRTFQTEBGFHN-UHFFFAOYSA-N 306.321 3.258 0 40 DGAB C[C@H](NC(=O)COc1ccc2ccc(=O)oc2c1)c1ccccc1 3598879 CGURFGVHECEFLL-ZDUSSCGKSA-N 323.348 3.049 0 40 DGAB CCCCS(=O)(=O)N[C@H](CC)c1ccccc1OC(F)F 72301863 JKWNDIKRMLQIEX-GFCCVEGCSA-N 321.389 3.459 0 40 DGAB C[C@H](CCc1ccco1)NC1CCN(C(=O)c2ccoc2)CC1 95419374 IWSRMWQSEGVTMT-CQSZACIVSA-N 316.401 3.088 0 40 DGAB COCCn1c(S)nc2sc(-c3ccccc3)cc2c1=O 4200395 UCBROJXZHIENMP-UHFFFAOYSA-N 318.423 3.060 0 40 DGAB C/C(=C\C(=O)NC[C@@H]1CCN(CCc2ccccc2)C1)C1CC1 96258893 CEYAGWGIGAJQST-QCUIPMNBSA-N 312.457 3.024 0 40 DGAB Cc1ccc(-n2nnnc2[C@@H](c2ccccc2)N2CCCC2)cc1 4672248 RQOFSKJQLHJNCK-GOSISDBHSA-N 319.412 3.156 0 40 DGAB CC(C)n1cc(NC(=O)c2cnc(-c3ccccc3)nc2)cn1 66386016 NNGVNNXHTRQOLC-UHFFFAOYSA-N 307.357 3.173 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)[C@@H]1C[C@H]1c1ccccc1F 84502236 AFVDQQJYFGYGKY-WDEREUQCSA-N 303.362 3.297 0 40 DGAB O=C(NCc1ccccc1)[C@@H]1COc2ccc(Cl)cc2C1 7070769 YGRNYVCTHSOTML-AWEZNQCLSA-N 301.773 3.208 0 40 DGAB COc1ccc(C(=O)N[C@H]2CCOc3ccccc32)c(F)c1 7280209 PWUKBFJFCYKCKT-HNNXBMFYSA-N 301.317 3.088 0 40 DGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCCc1ccco1 7310205 VWPQHQICOZYZOB-DHZHZOJOSA-N 311.790 3.066 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1cccc2ncccc12 15979543 TVEJIMDXXYDLBU-UHFFFAOYSA-N 320.274 3.089 0 40 DGAB CC[C@@H](NC(=O)NCc1csc(C)n1)c1nc(C)cs1 71856638 DDQCKWZRCJQGSO-LLVKDONJSA-N 310.448 3.167 0 40 DGAB O=Cc1ccc(OS(=O)(=O)c2ccc3ccccc3c2)cc1 16089184 CKLMODHVWCEMQL-UHFFFAOYSA-N 312.346 3.420 0 40 DGAB C[C@H]1CCC[C@@H](C)N1NC(=O)Nc1ccc2oc(=O)ccc2c1 68598007 JXZARZAIYDFYJY-TXEJJXNPSA-N 315.373 3.092 0 40 DGAB CC(=O)c1cccc(OCc2nc(COc3ccccc3)no2)c1 71890294 BQABZHCAVZRFGE-UHFFFAOYSA-N 324.336 3.430 0 40 DGAB Cc1nc(C2CCN(C(=O)Nc3ccc(F)cc3F)CC2)no1 69218933 JRQKWMOAEIAYAB-UHFFFAOYSA-N 322.315 3.068 0 40 DGAB Cc1cc(NC(=O)[C@@H](Sc2ccc(O)cc2)C(C)C)no1 69268681 QUYKSNFVIGRSDJ-AWEZNQCLSA-N 306.387 3.444 0 40 DGAB C[C@@H](Sc1nnc(N)s1)c1nnc(-c2ccc(F)cc2)o1 8293663 MYBSSWGQMKUDBB-ZCFIWIBFSA-N 323.378 3.163 0 40 DGAB Cc1n[nH]cc1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 69397221 RTHNGMPTIRJHJU-RYUDHWBXSA-N 324.211 3.445 0 40 DGAB C[C@H](NS(=O)(=O)c1cccc2ccccc12)c1nccs1 83991044 FPDIPWNCARRFGP-NSHDSACASA-N 318.423 3.336 0 40 DGAB C[C@@H](NC(=O)CCNC(=O)C(C)(C)C)C(C)(C)c1ccccc1 69519793 FMZXHWNFDCJNKY-CQSZACIVSA-N 318.461 3.021 0 40 DGAB COC(=O)c1cnn(-c2nc3ccccc3s2)c1C(C)C 8715309 FCTMKLJEOFPOME-UHFFFAOYSA-N 301.371 3.392 0 40 DGAB O=C(Nc1ccccc1)C(=O)N1CCCC[C@H]1c1ccccc1 97140598 BJRWQIHETNFQEN-KRWDZBQOSA-N 308.381 3.379 0 40 DGAB Cc1ccc(C(=O)N2CC[S@](=O)C[C@H]2c2ccccc2)s1 89656265 LBGXKWIFJHPVGU-LHSJRXKWSA-N 319.451 3.002 0 40 DGAB O=C(CSCc1noc(C2CC2)n1)NC1CCCCCCC1 89818932 FLWUPACCLCZJSK-UHFFFAOYSA-N 323.462 3.409 0 40 DGAB CC[C@H](NC(=O)Cc1ccon1)c1ccccc1Br 89947900 SKZATPAESIYCTO-ZDUSSCGKSA-N 323.190 3.247 0 40 DGAB C1=CC[C@H]2CN(Cc3nc(CCc4ccccc4)no3)C[C@@H]2C1 75768008 BXMSBTITCCLTRL-IRXDYDNUSA-N 309.413 3.253 0 40 DGAB C[C@@H]1CN(C)c2ccccc2N(C(=O)c2cn3ccccc3n2)C1 76040992 FLXYDNZVUIZIOB-CQSZACIVSA-N 320.396 3.067 0 40 DGAB CCCn1cc(Br)c(COCC(F)(F)F)n1 408716161 JNDBWRYNKMZDEO-UHFFFAOYSA-N 301.106 3.135 0 40 DGAB Cc1ccc(C(=O)NCCCN2CCc3ccccc32)c(C)c1 31254052 PFSMIUMDQCDDSN-UHFFFAOYSA-N 308.425 3.486 0 40 DGAB COc1ccccc1C(=O)N(C)Cc1nnc(-c2ccccc2)o1 408714181 KQHLMEUSVQXLLH-UHFFFAOYSA-N 323.352 3.017 0 40 DGAB CCOC(=O)c1cc(Cl)cc(NC(=O)OC(C)(C)C)n1 75629593 YJHPNKCIXPZFIS-UHFFFAOYSA-N 300.742 3.259 0 40 DGAB C[C@H]1CC(NC(=O)NCc2ccc(C3CC3)cc2)C[C@H](C)O1 189740813 AWQHWIONRRNCEX-STQMWFEESA-N 302.418 3.319 0 40 DGAB COc1ccc(C(=O)NCCOc2ccc(Cl)cc2)cc1C 225111417 YFTBFYNQHPRULN-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CC(C)[C@@H](NC(=O)N[C@@H]1C=C[C@H](CO)C1)c1ccccc1Cl 81495928 UVHSQIXPLIERQF-WOSRLPQWSA-N 322.836 3.273 0 40 DGAB COc1cccc(NC(=O)NCCCc2ccccc2OC)c1 225762828 FFZWUBJYYPAHGL-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CC 225166942 NVXRXCTWUWOMFP-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB CCc1nnc(CS[C@@H]2CCc3ccccc3NC2=O)s1 225629068 FIKRUETWVZTHHI-GFCCVEGCSA-N 319.455 3.287 0 40 DGAB COc1ncccc1NC(=S)NCCCc1ccc(F)cc1 223967711 XIEWESPOXUGLMP-UHFFFAOYSA-N 319.405 3.149 0 40 DGAB C[C@H](Nc1cnn(C[C@@H]2CCCO2)c1)c1nc2ccccc2o1 97377293 TUVPWUZBKOHXKN-JSGCOSHPSA-N 312.373 3.376 0 40 DGAB O=C(c1ccsc1)N1CCC(Oc2ncccc2Cl)CC1 96096888 MUVPQEILOFOSTD-UHFFFAOYSA-N 322.817 3.480 0 40 DGAB Cc1cnn(CCC(=O)N2CC[C@@H](C)C[C@@H]2c2ccc(C)o2)c1 96433161 URUMDCGACJNZQV-CZUORRHYSA-N 315.417 3.483 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2ccc(Cl)nc2F)on1 585134367 PQTRRQUTRXJZFE-SNVBAGLBSA-N 309.728 3.148 0 40 DGAB Cc1n[nH]c(C)c1-c1cncc(C[C@H]2CCCN(C(C)C)C2)n1 257210597 BVIBDZHSYPSVPY-OAHLLOKOSA-N 313.449 3.146 0 40 DGAB CC[C@H](C(=O)N(CCOC)Cc1ccoc1)c1ccccc1 85474246 GKVQYYLCGWZRBD-KRWDZBQOSA-N 301.386 3.448 0 40 DGAB Cc1cc(C)cc([C@@H]2CCN(C(=O)C[C@H](C)CC(=O)O)C2)c1 577076774 KQEGFNLFKNGSPH-LSDHHAIUSA-N 303.402 3.120 0 40 DGAB COc1ccc(-c2cnc(CN3CCCC[C@@H]3CCO)o2)cc1 69249955 DRVPLJVMCCWDIS-OAHLLOKOSA-N 316.401 3.087 0 40 DGAB CCCCN(C(=O)[C@H](C)S(=O)(=O)C(C)C)c1ccccc1 71903313 XACOZAKQQOXZOF-AWEZNQCLSA-N 311.447 3.031 0 40 DGAB O=C(Nc1cc2c3c(c1)CCC(=O)N3CCC2)c1cccs1 5154036 PYPKLVHUUKVVIQ-UHFFFAOYSA-N 312.394 3.226 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[C@@H]1O 5568890 WBSMBQPDMCRAFO-NEPJUHHUSA-N 302.296 3.130 0 40 DGAB Cn1ccc([C@@H]2CCCCCN2C(=O)c2cccc(F)c2)n1 12133692 WKNGJNROHKTYCC-INIZCTEOSA-N 301.365 3.317 0 40 DGAB CCOC(=O)C[S@@](=O)C(c1ccccc1)c1ccccc1 22058191 XQVZQTKFGQJNTO-NRFANRHFSA-N 302.395 3.088 0 40 DGAB in-vitro COc1ccc([C@@H](C)NC(=O)Cc2csc(C)n2)cc1F 24078055 KPTJMPWFAOCBSW-SECBINFHSA-N 308.378 3.019 0 40 DGAB Cc1ccc(O[C@@H]2CCN(C(=O)c3ccc4cc[nH]c4c3)C2)nc1 238812860 ASOWLVSJQHFBRU-MRXNPFEDSA-N 321.380 3.165 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)N1CCCCCC1 118744 JWIJQACHPKZOJZ-UHFFFAOYSA-N 308.381 3.203 0 40 DGAB O=C(N[C@H]1CCCN(Cc2ccc3ccccc3c2)C1)C1CC1 1006525544 ZEKVSLQUMJUEAF-IBGZPJMESA-N 308.425 3.330 0 40 DGAB CCc1nnc(NC(=O)CCC(=O)c2ccc(C)cc2)s1 21288205 ZAPAVLHJYGJOKJ-UHFFFAOYSA-N 303.387 3.011 0 40 DGAB CNC(=O)c1ccc(OCc2coc(-c3cccs3)n2)cc1 32783609 GHRBMBRKOGACCG-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cc1cccc(/C=C/C(=O)N(C)Cc2nccn2C(F)F)c1 32769692 WTZPMHFUUXLZQH-VOTSOKGWSA-N 305.328 3.258 0 40 DGAB CC[C@@H](Sc1nc(C)cc(N)n1)C(=O)Nc1ccc(F)cc1 32848743 QTCBWYPKWXLPNQ-GFCCVEGCSA-N 320.393 3.016 0 40 DGAB COc1ccc(NC(=O)NCc2ccc([C@@H](C)O)cc2)cc1 53755911 OFUVTCDKUFFMRV-GFCCVEGCSA-N 300.358 3.070 0 40 DGAB O=S(=O)(c1ccc(Cl)c(C(F)(F)F)c1)N1CCCC1 74588 JVGSEVZDIMISRV-UHFFFAOYSA-N 313.728 3.143 0 40 DGAB CC(=O)O[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C)cc1 367485 UPQAHSRLTOVTQV-ZWKOTPCHSA-N 309.365 3.010 0 40 DGAB Cn1c(SCc2c(F)cccc2F)nnc1-c1ccccn1 530173 SDNJWXGWQBANQA-UHFFFAOYSA-N 318.352 3.448 0 40 DGAB COc1ccccc1OCc1ccc(C(=O)N2CCCCC2)o1 800752 JFMOEPXFVFQNNI-UHFFFAOYSA-N 315.369 3.493 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H](C)Sc1cc(C)ncn1 1286608 DSTWXFBNDMUYSA-GFCCVEGCSA-N 317.414 3.303 0 40 DGAB COc1ccc(C(=O)N(C)c2nc3c(s2)CCCC3)cc1 1399606 UJZAJEOWDWWTOC-UHFFFAOYSA-N 302.399 3.307 0 40 DGAB Cc1c([C@H](C)OC(=O)Nc2ccccc2)sc2ncnn12 1404967 AOUUMBPBMVOBSP-JTQLQIEISA-N 302.359 3.409 0 40 DGAB C[C@@H]1COC[C@@H](C)N1c1nn2cc(-c3ccccc3)nc2s1 1414352 UPPFUBBHKGZXNP-VXGBXAGGSA-N 314.414 3.071 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCN(c3ccccc3)CC2)c1 1741629 AHBATLWBEYRITC-UHFFFAOYSA-N 323.396 3.243 0 40 DGAB O=C(COC(=O)c1cccc(Cl)c1)Nc1ccccc1F 1932677 LRXGMHGKIMZDHG-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Cc1ccc(C)c(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1 3317366 SRVRXETYBLYIOJ-HOCLYGCPSA-N 303.402 3.155 0 40 DGAB O=C(CSc1cccc[n+]1[O-])c1ccccc1Br 3318287 PCBBCJGNGYAGHL-UHFFFAOYSA-N 324.199 3.058 0 40 DGAB CN(C[C@@H]1COc2ccccc2O1)C(=O)/C=C/c1cccs1 3413953 MPDVMPWJISMSFO-MMQHEFTJSA-N 315.394 3.060 0 40 DGAB N=C(c1ccc(F)cc1)n1c(CCCCO)nc2ccccc21 4704107 JKHPUWMARCVDBP-UHFFFAOYSA-N 311.360 3.364 0 40 DGAB CC(=O)c1cnn(-c2cc(N[C@@H](C)c3ccccc3)ncn2)c1C 5345544 VRWABTLPDLKBNK-LBPRGKRZSA-N 321.384 3.346 0 40 DGAB CCN(C(=O)COC(=O)/C=C/c1ccco1)C1CCCCC1 6139081 WYTCGOZPMDVAPC-ZHACJKMWSA-N 305.374 3.017 0 40 DGAB COc1cc2c(c(OC)c1)[C@@H](c1cc(F)cc(F)c1)CC(=O)N2 6820112 VXQDABSPZPIHAO-CYBMUJFWSA-N 319.307 3.456 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)c1 7212891 JULJVVAMSDINOB-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1cc(OCC(=O)Nc2nc3ccc(Cl)cc3s2)no1 7278860 TVUOLDDRYHOZTE-UHFFFAOYSA-N 323.761 3.264 0 40 DGAB O=C(Nc1ccc(F)c(Cl)c1)[C@H]1CC(=O)N(C2CCCC2)C1 7474509 DYRDXRSJWQQCTQ-JTQLQIEISA-N 324.783 3.209 0 40 DGAB COC(=O)[C@@H](C)Sc1nnc(Nc2cccc(F)c2)s1 7576952 NJKQXNCASDHPHE-SSDOTTSWSA-N 313.379 3.074 0 40 DGAB C[C@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1 7848412 PKZCRSIKAXOREJ-AWEZNQCLSA-N 323.396 3.253 0 40 DGAB COC(=O)c1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O 7925254 XFCBJQSCMHXCAD-WJDWOHSUSA-N 321.332 3.126 0 40 DGAB Cc1ccc(NC(=O)CS[C@@H](C)C(=O)NC2CCCC2)cc1 8081456 LDABGFDVDOIFOQ-ZDUSSCGKSA-N 320.458 3.114 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)c1ccc(F)cc1 8406230 WCCLMYKJVOMUGS-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB CC(C)(C(=O)OCc1nc(N)c2ccccc2n1)c1ccccc1 9208953 MJYFORBYWZBQAY-UHFFFAOYSA-N 321.380 3.233 0 40 DGAB Cc1ccn2c(=O)cc(CSc3nc4ccccc4o3)nc2c1 9366192 IAKCKPLKJKOIQB-UHFFFAOYSA-N 323.377 3.436 0 40 DGAB Cc1noc(C)c1C(=O)Oc1ccc(Br)cc1F 9762194 DGAJBANHBVCPGJ-UHFFFAOYSA-N 314.110 3.412 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)Nc1ccc(Cl)cc1F 10511521 IZXNQCYPEUXOEF-UHFFFAOYSA-N 309.772 3.401 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)Cc3ccc(Cl)cc3)ccc21 10825783 AGZVNGWYYCYALU-UHFFFAOYSA-N 314.772 3.040 0 40 DGAB O=C([C@@H]1Cc2cc(Cl)ccc2O1)N1CCc2sccc2C1 10924305 SFLFKHUEWCCCDY-AWEZNQCLSA-N 319.813 3.290 0 40 DGAB CCCCc1nnc2sc(COc3ccc(C)cc3)nn12 11278151 IHXFSQGZWMUQNS-UHFFFAOYSA-N 302.403 3.416 0 40 DGAB CCC[C@H](C)NC(=O)COC(=O)c1occc1-c1ccccc1 13013591 RCVDSHGFZGFETJ-ZDUSSCGKSA-N 315.369 3.408 0 40 DGAB CC1CCN(C(=O)/C=C/c2ccc3c(c2)OCCCO3)CC1 13099075 SZCACTIOWSQSIM-GQCTYLIASA-N 301.386 3.120 0 40 DGAB CN1c2ncccc2C(=O)N[C@@H]1c1ccc(Cl)cc1Cl 13566712 REZFMSXTMURZKT-ZDUSSCGKSA-N 308.168 3.267 0 40 DGAB Cc1cccc(OCCNC(=O)c2ccc(OC(F)F)cc2)c1 18147265 IODYCUYCFMXWAF-UHFFFAOYSA-N 321.323 3.405 0 40 DGAB O=C(c1ccccc1)N1CCC[C@H]1c1n[nH]cc1-c1ccncc1 19368753 VYQBNTFMYFRJEZ-KRWDZBQOSA-N 318.380 3.449 0 40 DGAB COc1ccc([C@@H](C)NS(=O)(=O)Cc2cccc(C)c2)cc1 19933614 KFYQNYFHSACILQ-CQSZACIVSA-N 319.426 3.184 0 40 DGAB COc1ccc(SCC(=O)N(C)C2CCCC2)cc1OC 20043163 KNSBGHZZBUGLOZ-UHFFFAOYSA-N 309.431 3.197 0 40 DGAB Cc1c(C(=O)N2CCc3sccc3C2)[nH]c2c1C(=O)CCC2 21627417 KITIMTYIEZQXAU-UHFFFAOYSA-N 314.410 3.102 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c1 21822405 JFPKOUNTBXFGCL-IBGZPJMESA-N 324.424 3.315 0 40 DGAB O=C(CSCc1ccccc1)NCCOc1ccc(F)cc1 22479931 JPZOWNCFFBPWQE-UHFFFAOYSA-N 319.401 3.254 0 40 DGAB CC(=O)N(CCn1cccn1)c1nc2c(Cl)cccc2s1 22602472 MKIOAGCVRWFUHF-UHFFFAOYSA-N 320.805 3.199 0 40 DGAB Cc1c(C(=O)NCCc2cccs2)cnn1-c1ccccc1 22837172 GQMVGUNBMGNLSC-UHFFFAOYSA-N 311.410 3.215 0 40 DGAB NC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 24027938 VULWISCWVDSDQS-INIZCTEOSA-N 309.369 3.058 0 40 DGAB COc1cccc2cc([C@H](C)NC(=O)c3cc(C)no3)oc12 25190580 RSFJFFMQKUESTA-JTQLQIEISA-N 300.314 3.229 0 40 DGAB Cc1cccc(NC(=O)c2cccc(OC[C@@H]3CCCO3)c2)n1 26264512 WSPGHFIRGRMKHV-INIZCTEOSA-N 312.369 3.200 0 40 DGAB CCC(=O)Nc1cc(Br)c(O)c(Br)c1 32116361 ZBPYNKYAQKSNOV-UHFFFAOYSA-N 322.984 3.266 0 40 DGAB CCCc1nc(CNC(=O)c2ccc(C(C)(C)C)cc2)no1 33861972 DDBIKRWCPJIWSZ-UHFFFAOYSA-N 301.390 3.250 0 40 DGAB CCCn1ncc2c(C(=O)N3CCCCCC3)cc(C)nc21 36616820 BRCIDEJFWJWBRF-UHFFFAOYSA-N 300.406 3.166 0 40 DGAB O=C(NC1(C(=O)O)CCCC1)c1cc(Cl)ccc1Cl 37329810 IEQLBSAYMLMALP-UHFFFAOYSA-N 302.157 3.121 0 40 DGAB O=C(NC1CCC(C(=O)O)CC1)c1cc(Cl)ccc1Cl 37561262 VFJGIMSXDUJTHZ-UHFFFAOYSA-N 316.184 3.367 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2ccc(N)cc2F)CC1 38843104 OOJLXGFTSAYUNV-UHFFFAOYSA-N 310.369 3.186 0 40 DGAB COc1ccc(C2=NN3COc4ccccc4[C@H]3C2)c(OC)c1 40486612 JFWDJICZWNIFLE-MRXNPFEDSA-N 310.353 3.205 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1ccccn1)CO2 40540139 LHZIVEOOZRERFH-CYBMUJFWSA-N 324.380 3.134 0 40 DGAB CC(C)c1noc([C@@H]2CCCN(C(=O)Cc3cccs3)C2)n1 41124150 OAVGCMDWJTXXEK-GFCCVEGCSA-N 319.430 3.203 0 40 DGAB O=C(NCCc1nc(-c2ccccn2)cs1)c1cccs1 41132838 BVVCRCLHDICRLF-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F 42646031 RTSGRIGKCUSBEE-CABZTGNLSA-N 312.772 3.113 0 40 DGAB C[C@H](NC(=O)NCc1ccc(-c2ccn[nH]2)cc1)c1ccco1 44966705 FXHGPWFPAQHGMO-LBPRGKRZSA-N 310.357 3.230 0 40 DGAB COc1cccc(OCCNC(=O)c2ccccc2SC)c1 45450368 KDERTIHZYCIBAE-UHFFFAOYSA-N 317.410 3.226 0 40 DGAB CCC(=O)Nc1cc(Cl)c2nc(NN)sc2c1Cl 45891518 YRBLHTPBBQAJHK-UHFFFAOYSA-N 305.190 3.237 0 40 DGAB COc1cccc(NC(=O)NC[C@H](C)N2CCCC[C@@H]2C)c1 45949949 YQNXDWQYWISASY-KBPBESRZSA-N 305.422 3.080 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)NCc2ccccc2F)no1 46071838 HQQCVZJQBQJXAI-HNNXBMFYSA-N 303.337 3.169 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)NCc2ccccc2F)no1 46071840 HQQCVZJQBQJXAI-OAHLLOKOSA-N 303.337 3.169 0 40 DGAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC[C@H](C)C1 47987849 WTOUGZCJWSYTMN-LBPRGKRZSA-N 315.417 3.151 0 40 DGAB C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1cccc(F)c1 48332663 SVHDNIQVGLIDPQ-GFCCVEGCSA-N 314.339 3.396 0 40 DGAB Cc1c([C@H]2SCC(O)=Nc3c2cnn3C(C)(C)C)cnn1C 49546730 HHFCERGFWKFGAN-CYBMUJFWSA-N 319.434 3.104 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2n[nH]c3ccccc23)cn1 53507725 ULCVRQWNBDACJI-UHFFFAOYSA-N 309.373 3.056 0 40 DGAB c1cc(CNc2cnc3ccccc3n2)cc(Cn2cccn2)c1 54837086 ADQHFGAAFWWLPW-UHFFFAOYSA-N 315.380 3.487 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)N1CCC[C@H]1c1ccccc1 54993785 GDYDERDYMMRBNB-ZDUSSCGKSA-N 323.318 3.266 0 40 DGAB O=C(c1sccc1C1CC1)N1CCC[C@H](n2cccn2)C1 69486449 PKQNKBXFOOSGFR-ZDUSSCGKSA-N 301.415 3.299 0 40 DGAB COCc1cccc(C(=O)NCCc2csc(C(C)C)n2)c1 69528053 NSNMWQDMBLSUAE-UHFFFAOYSA-N 318.442 3.385 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@@H]2C)cc1 69772352 ITSVIQRZHRHAAC-RBZFPXEDSA-N 322.408 3.237 0 40 DGAB OCCNc1cc(-c2cnc3ccccc3c2)c2cc[nH]c2n1 71764589 KKKFGFMKVRTNQA-UHFFFAOYSA-N 304.353 3.182 0 40 DGAB CCOC(=O)[C@@H](C)Nc1cccc(NC(=O)c2ccccc2)c1 71908382 ZCDLSFNGSBEUPQ-CYBMUJFWSA-N 312.369 3.302 0 40 DGAB O=C(N[C@@H](Cc1ccccc1)c1cccs1)[C@@H]1CCCO1 71909661 FKZMZRCHSFSZFN-GJZGRUSLSA-N 301.411 3.327 0 40 DGAB COC(=O)[C@@H](CNC(=O)c1sccc1SC)CC(C)C 72295828 ODMVYZOWXRLVTB-SNVBAGLBSA-N 315.460 3.035 0 40 DGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)[C@@H]1CCCS1 72312546 GIGXYTDCDUEQCJ-ZZTKBFGJSA-N 308.443 3.211 0 40 DGAB O=C(Cc1ccccc1C(=O)O)Nc1cccc(-n2cccc2)c1 72401003 ZAWHREZNZJZPAJ-UHFFFAOYSA-N 320.348 3.357 0 40 DGAB C[C@H](c1ccccc1)N(C)C(=O)Nc1cnn(CC(F)F)c1 72545604 QUQPRHLERQNVKO-LLVKDONJSA-N 308.332 3.373 0 40 DGAB COC(=O)N1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 73746447 BQFKJBTVKUGDBE-LLVKDONJSA-N 317.172 3.163 0 40 DGAB CN1CCC(CC(=O)Nc2ccccc2Br)CC1 74921052 WJGLLYSJAUHRLK-UHFFFAOYSA-N 311.223 3.120 0 40 DGAB Cc1ccc2c(-c3ccccc3)nc(N3CCOCC3)nc2c1 75109559 UQYKOXDUPRQEAD-UHFFFAOYSA-N 305.381 3.442 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)c2ccc(C(N)=O)cc2)C1 75143331 CXQBDXZGJJAXMR-WMLDXEAASA-N 322.408 3.112 0 40 DGAB CN(C(=O)Nc1cccc(F)c1)[C@H](CCO)c1ccccc1 75533384 WQFGKTZNORWXSS-MRXNPFEDSA-N 302.349 3.413 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)c2ccc(N(C)C)cc2)CC1 78671243 DUVHCMOLYUZXCZ-QGZVFWFLSA-N 304.434 3.174 0 40 DGAB C[C@@H](NCCNC(=O)c1ccccc1)c1ccccc1Cl 78806484 GRZREEYLUNVUHL-CYBMUJFWSA-N 302.805 3.421 0 40 DGAB CCc1cnc(CCNC(=O)N2CC[C@@H]3CCCC[C@H]32)s1 80532633 JFGPWYLPVOZDSN-GXTWGEPZSA-N 307.463 3.222 0 40 DGAB CCc1cc(CNC(=O)N2CCCC[C@@H]2c2cccn2C)on1 83820436 GQFHGJRPSAFJCV-MRXNPFEDSA-N 316.405 3.012 0 40 DGAB CCn1cc(/C=C2/C(=O)Nc3ccc(Br)cc32)cn1 83843389 HDUNSMRPWCZAGN-LFYBBSHMSA-N 318.174 3.158 0 40 DGAB O=S(=O)(N[C@@H](c1ccc(Cl)cc1)C1CC1)c1cccnc1 84425191 UWDMLJWMMDZRHI-OAHLLOKOSA-N 322.817 3.165 0 40 DGAB FC(F)(F)c1ccnc(NCCCN2CCc3ccccc32)n1 84582046 GDDCVURQLGAYSY-UHFFFAOYSA-N 322.334 3.360 0 40 DGAB O=C(CCCc1ccccc1)N1CCC(Oc2ccccn2)CC1 90607497 NPGIEOGUAVJQFU-UHFFFAOYSA-N 324.424 3.474 0 40 DGAB CN(CCc1ccncc1)C(=O)C(C)(C)c1cccc(F)c1 95398824 LUWKUMKDXJXMTG-UHFFFAOYSA-N 300.377 3.199 0 40 DGAB Cc1nn(C)c(C)c1NC1CCC(NC(=O)OC(C)(C)C)CC1 95962827 DDNMXAUGIKBILE-UHFFFAOYSA-N 322.453 3.285 0 40 DGAB O=C(O)CCc1ccc(NC(=O)C2(c3ccccc3)CC2)cc1 95970772 ZIRJGXAJOMJQOK-UHFFFAOYSA-N 309.365 3.374 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccccn2)C[C@@H]1Cc1cccc(C)c1 96110211 GZGIFYSJSKQBAF-PKOBYXMFSA-N 324.424 3.110 0 40 DGAB COCc1csc(NC(=O)N[C@H]2CCc3cc(F)ccc32)n1 96435552 SNHZABVYJFNLIS-ZDUSSCGKSA-N 321.377 3.238 0 40 DGAB O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)c1ccoc1 97086324 SYVXUATXAOUPJI-UHFFFAOYSA-N 320.776 3.018 0 40 DGAB Cc1oncc1COc1ccccc1I 97107167 ARPRWVCUWCRLOM-UHFFFAOYSA-N 315.110 3.167 0 40 DGAB CN(C[C@@H]1CCCOC1)C(=O)Nc1cc(Cl)cc2c1OCC2 97145865 ADYWDEYJSSDGKU-NSHDSACASA-N 324.808 3.165 0 40 DGAB C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)C1[C@H]2CCC[C@H]12 101478536 LMDQSOYCBOGPBR-UBDQQSCGSA-N 312.457 3.059 0 40 DGAB CC(C)=C1[C@H]2CC[C@H]1[C@@H](C(=O)N1CCCC[C@H]1C)[C@H]2C(=O)O 102308803 GUOHAOSSSNLHLQ-DFMBRWPFSA-N 305.418 3.081 0 40 DGAB O=C(NC1(c2ccc(Cl)cc2)CCOCC1)c1cscn1 103006511 ABDSVXWOIJNLRH-UHFFFAOYSA-N 322.817 3.232 0 40 DGAB O=C(O)CC[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)C1 108462604 YGSJUJLXTXHZGE-APHBMKBZSA-N 319.376 3.033 0 40 DGAB CC(C)(NC(=O)c1cnc(N)c(Cl)c1)c1ccc(F)cc1 109054141 JAUAYVGSHANJNJ-UHFFFAOYSA-N 307.756 3.121 0 40 DGAB C[C@]12CCC(=O)C[C@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O 118914826 CWGZMGDCCGJNKL-QCZIRSINSA-N 304.430 3.282 0 40 DGAB CS(=O)(=O)Nc1cccc(N[C@H]2CCCc3occc32)c1 122093082 CWQPRFSFGPXPKW-AWEZNQCLSA-N 306.387 3.141 0 40 DGAB O=C(NCC1CCN(CC(F)(F)F)CC1)Nc1ccccc1 187090565 DRNMKUVKZNZSIR-UHFFFAOYSA-N 315.339 3.082 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](NCc2ncccc2F)CC1 195558703 IDEOOUYWAJDOFT-CYBMUJFWSA-N 323.412 3.100 0 40 DGAB Cc1cccc(C(=O)O)c1OCC(=O)Nc1ccc(Cl)cc1 217721289 UTSPYDGHPNMWHQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB Cc1cc(Br)cnc1NC(=S)NCC(C)C 223877646 YHEYFFCSIDKJTH-UHFFFAOYSA-N 302.241 3.095 0 40 DGAB CCOc1ccc([C@]2(C)NC(=S)N(c3ccccc3)N2)cc1 225344340 NTOCANWJJIQSJH-QGZVFWFLSA-N 313.426 3.157 0 40 DGAB CC(=O)c1cccc(Nc2ccc(N)cc2C(=O)NC(C)C)c1 225483575 HJIKCMYVIYTVIA-UHFFFAOYSA-N 311.385 3.353 0 40 DGAB C[C@]1(C(=O)N2CCCCCC2)CC(c2ccc(F)cc2)=NO1 226749357 GBGGKWSNDLNDKM-QGZVFWFLSA-N 304.365 3.111 0 40 DGAB COc1cccc(NC(=O)c2cn(-c3ccc(C)cc3)cn2)c1 226754422 YUVULMTYXBXSOD-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CN(C)C(=O)[C@@H]1CCC[C@]12CCN(Cc1cc(F)ccc1F)C2 248009325 PAPNJUCNURORGR-MAUKXSAKSA-N 322.399 3.045 0 40 DGAB CCOCC[C@@H]1CCOC12CN(Cc1cccc3[nH]ccc13)C2 253382188 HFHCJNAIIPSFNM-MRXNPFEDSA-N 314.429 3.185 0 40 DGAB NC[C@H]1CC[C@H]([C@H](NC(=O)c2ccccc2)c2ccccn2)CC1 257315596 VCCBWXJLVRBABR-BXWFABGCSA-N 323.440 3.318 0 40 DGAB Cn1cc(CN2CCC[C@H](c3cnccn3)C2)c2ccccc21 257322232 WFCVVTNJFSGPKA-HNNXBMFYSA-N 306.413 3.348 0 40 DGAB Cc1ccc(C)n1CC(=O)N[C@@H](c1nc2ccccc2[nH]1)C(C)C 575443056 PIGJASZLEPRNDK-GOSISDBHSA-N 324.428 3.495 0 40 DGAB COc1ccc2c(=O)c(-c3csc(C)n3)coc2c1OC 178210 VEMCOMNZFRXOQE-UHFFFAOYSA-N 303.339 3.242 0 40 DGAB biogenic COc1cc2c(cc1OC)-c1cc3ccccc3c(=O)n1CC2 338367 DJFADVSFIUADMV-UHFFFAOYSA-N 307.349 3.242 0 40 DGAB biogenic,in-vitro Cc1cc(=O)oc2c(C)c(OCC(=O)Nc3ccccc3)ccc12 488585 JFFXPBPKROKMNE-UHFFFAOYSA-N 323.348 3.427 0 40 DGAB biogenic CCOC(=O)c1nnsc1-c1cccc(Br)c1 1680995 VQBOWPRVIRCYIA-UHFFFAOYSA-N 313.176 3.144 0 40 DGAB CCC[C@H](CCC(=O)Nc1ccc(C(=O)OCC)cc1)C(=O)O 2376199 VZPCZPLEBCUDCK-GFCCVEGCSA-N 321.373 3.083 0 40 DGAB Cc1ccc(S(=O)(=O)c2cc3ccccc3oc2=O)cc1C 2687228 QJZBKHLQLMEOGM-UHFFFAOYSA-N 314.362 3.243 0 40 DGAB Fc1ccc(NC(=S)NCCc2ccccn2)cc1Cl 3325911 KRHHNCBZXVZHAF-UHFFFAOYSA-N 309.797 3.403 0 40 DGAB CN(Cc1cccc(F)c1)S(=O)(=O)/C=C/c1ccccc1 3406205 UAAMHRHTGKZSDB-ZHACJKMWSA-N 305.374 3.258 0 40 DGAB CCCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)NC(=O)N1C 3418850 AYXNVFMBGZUQLI-CQSZACIVSA-N 322.792 3.263 0 40 DGAB CCOc1ccc(NC(=O)COc2ccc(C(C)=O)cc2)cc1 3504366 PZHMAWRAVJJNNB-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4CC(=O)CC[C@]34C)[C@H]1CCC2=O 3847901 FJZKBPUBWKYMHG-OBILRWAVSA-N 302.414 3.346 0 40 DGAB biogenic CCCOc1ccc(Br)cc1CSC(=N)N 4652703 RNTOYPHAKLFIHA-UHFFFAOYSA-N 303.225 3.365 0 40 DGAB c1ccc(CSc2nnc3ccc(-c4ccccn4)nn23)cc1 5168310 BKADJHWMUMAZQT-UHFFFAOYSA-N 319.393 3.479 0 40 DGAB Cc1cc(C(=O)Cn2nnc(-c3ccccc3C)n2)c(C)s1 5282201 ARMBVLDDMKNRDF-UHFFFAOYSA-N 312.398 3.210 0 40 DGAB Cc1ccc(-n2nnnc2SCc2c(C)noc2C)cc1C 5392177 BRAUXMBRSQJVKF-UHFFFAOYSA-N 315.402 3.176 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C[C@H](O)Cn1cc(C=O)c2ccccc21 5520946 OHTDILXTEPRBOP-BFYDXBDKSA-N 314.429 3.078 0 40 DGAB COc1ccc2c(c1)[C@@H]1[C@@H]3O[C@@H](c4ccccc43)[C@@H]1[S@@](=O)N2 5662994 QZUQIGFOFFTNRG-NZYYMUPHSA-N 313.378 3.063 0 40 DGAB CCCCn1nnnc1CSc1nc2ccc(Cl)cc2[nH]1 6649987 VLKGOHKAUVKCHM-UHFFFAOYSA-N 322.825 3.295 0 40 DGAB COc1ccc(OC)c(NC(=O)c2cccnc2SC)c1 6946050 WLPUPZVMWBMNPE-UHFFFAOYSA-N 304.371 3.073 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(N3CCCC3=O)cc2)cc1 7917485 HMPGYOAHMJMEOO-UHFFFAOYSA-N 324.380 3.003 0 40 DGAB CCNCc1cc(Br)cc(Br)c1OC 8227197 QBNQIKQVOAZRFJ-UHFFFAOYSA-N 323.028 3.330 0 40 DGAB CCc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1 8259536 OUFYSISECPTMEA-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB CSc1ccc(Cn2nnc(-c3cccc(F)c3)n2)cc1 8278939 AABLGJZTKWSQPS-UHFFFAOYSA-N 300.362 3.249 0 40 DGAB CCc1cc(=O)oc2cc(OCc3ccc(C(N)=O)cc3)ccc12 10199042 GCFKTQHIRASCNS-UHFFFAOYSA-N 323.348 3.033 0 40 DGAB CCN(C(=O)CSc1cc(C)ncn1)c1cccc(C)c1 12016630 KMROWWZRECZWEG-UHFFFAOYSA-N 301.415 3.239 0 40 DGAB CCOc1ccc(CC(=O)N2CCC(c3ccncc3)CC2)cc1 12117357 LWEUOXMKPUCGJU-UHFFFAOYSA-N 324.424 3.429 0 40 DGAB Cc1oc2ccc(O)cc2c1C(=O)NCCCc1ccccn1 12148572 OTDXJVYIHPQDCU-UHFFFAOYSA-N 310.353 3.204 0 40 DGAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)C(C)C 13787194 GDBZFHPYFJQMBS-UHFFFAOYSA-N 300.402 3.231 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)c(F)c1 14095710 DNPRCWRTWGGFKH-UHFFFAOYSA-N 301.317 3.087 0 40 DGAB Cc1ccc(C(=O)NC(=S)Nc2nccs2)c(Cl)c1 14257674 LFLZIINMDURVNW-UHFFFAOYSA-N 311.819 3.232 0 40 DGAB CC(C)NC(=O)C1=Cc2cc(Br)ccc2OC=C1 15838641 QGQDTMKCNAGTLR-UHFFFAOYSA-N 308.175 3.263 0 40 DGAB CCCN1CC[C@H](c2cc(COc3ccc(F)cc3)[nH]n2)C1 19738928 LNISOGMBVWCKET-ZDUSSCGKSA-N 303.381 3.327 0 40 DGAB C[C@@H]1CCc2onc(C(=O)NCCc3c[nH]c4ccccc34)c2C1 20572079 OKRNHOBXAQYLIH-GFCCVEGCSA-N 323.396 3.253 0 40 DGAB CCc1noc(C)c1C(=O)N1CCCc2cc(OC)ccc21 21975797 YLHAYBPXNYSZND-UHFFFAOYSA-N 300.358 3.147 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)c1ccc(C)cc1)N(C)C 23712176 CKTRRXLQHGGWDL-QGZVFWFLSA-N 312.413 3.036 0 40 DGAB biogenic Cc1cc([C@@H](C)NC(=O)CCNC(=O)C2CCCC2)c(C)s1 25015444 BTNPFZZHUJYSOH-GFCCVEGCSA-N 322.474 3.239 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(Br)s2)no1 25135502 LMCQQIRYZFKYEY-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB C[C@@H](SCc1nc(N)nc(N(C)C)n1)c1ccccc1Cl 25220693 MLDWXHODJXQTTI-SECBINFHSA-N 323.853 3.168 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2cccc(Cl)c2)c1 25823213 GARFGNIRVHQOCN-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB C1=Cc2ccccc2[C@H](CNC[C@@H]2COc3ccccc3O2)O1 26895347 IGNDBFYZORRAOJ-BEFAXECRSA-N 309.365 3.158 0 40 DGAB CCCc1noc([C@@H](C)Nc2ccc3c(c2)CCN3C(C)=O)n1 26984252 QIEZZENZISNKTN-LLVKDONJSA-N 314.389 3.104 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccnc(Cl)c2)c1 27442769 BOCUCPXHYJSDFK-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CC[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CCO1 30231038 DSVHQKIATVXKQN-CQSZACIVSA-N 303.333 3.337 0 40 DGAB Cc1cc(C)c2c(n1)sc1c(SCC(=O)O)ncnc12 32102795 SSCMZXXBOJXAIY-UHFFFAOYSA-N 305.384 3.033 0 40 DGAB Cc1ccc(C(=O)N2CC=C(c3c[nH]c4ncccc34)CC2)cn1 32754673 WHBZXHBPSDSEBL-UHFFFAOYSA-N 318.380 3.196 0 40 DGAB Cn1c(SCCc2ccncc2)nnc1-c1cccs1 32865982 XTXIEJNFMLKLEL-UHFFFAOYSA-N 302.428 3.273 0 40 DGAB CCCCC(=O)Nc1ccc(C(=O)Nc2nccc(C)n2)cc1 35655082 GCIYIDWPSUFAON-UHFFFAOYSA-N 312.373 3.166 0 40 DGAB CN(C)[C@H](CNC(=O)c1cc2ccccc2[nH]1)Cc1ccccc1 41949087 ZOIDINMJZDRVMF-KRWDZBQOSA-N 321.424 3.071 0 40 DGAB CC(C)c1nc(COn2nnc3ccc(Cl)cc32)cs1 42110854 YHOORKULCAOLAA-UHFFFAOYSA-N 308.794 3.293 0 40 DGAB Cc1csc(CNCc2c[nH]nc2-c2ccc(F)cc2)n1 42202846 HXHWUFGXZXWWIF-UHFFFAOYSA-N 302.378 3.271 0 40 DGAB Cc1ccc(CNC(=O)N(C)Cc2ccc3c(c2)OCO3)s1 44968284 YDHGKVKGXKPJJD-UHFFFAOYSA-N 318.398 3.127 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N([C@H](C)C23CC4CC(CC(C4)C2)C3)C1 45957983 DIGAELVOZJPIDJ-HBVLHIRESA-N 319.445 3.003 0 40 DGAB C[C@H](NC(=O)NCCc1ccccn1)c1ccc(Cl)s1 47634272 HRLWVZVCKPZHMQ-JTQLQIEISA-N 309.822 3.399 0 40 DGAB c1ccc2c(Cc3nnc([C@H]4CCN(C5CCC5)C4)o3)c[nH]c2c1 49169742 RVEIVUITSVYLHK-ZDUSSCGKSA-N 322.412 3.484 0 40 DGAB biogenic,in-vitro COc1ccc(C(=O)N(C)Cc2ccccc2F)cc1OC 49929634 XEEXEUHHZROHES-UHFFFAOYSA-N 303.333 3.115 0 40 DGAB O=C1c2ccccc2NC2(CCCCC2)N1C[C@@H]1CCCO1 52806430 XTUPZCRJACHGDO-AWEZNQCLSA-N 300.402 3.394 0 40 DGAB COc1ccc(N(C)C(=O)C2(c3cccc(F)c3)CCC2)cn1 58270371 SAGDGNYEIKGGNQ-UHFFFAOYSA-N 314.360 3.314 0 40 DGAB C[C@@H](CC(=O)NCC1(c2cccc(F)c2)CCOCC1)C1CC1 58281924 PONULTYCQPYEFY-AWEZNQCLSA-N 319.420 3.426 0 40 DGAB COc1ccc(N(C)C(=O)c2ccc3[nH]c(C)c(C)c3c2)cn1 58378225 JYAIOBIZDNGGOY-UHFFFAOYSA-N 309.369 3.465 0 40 DGAB COc1cccc2c1N(C(=O)NCc1csc(C)n1)CCC2 65390784 IXDDMSRIRHLXBM-UHFFFAOYSA-N 317.414 3.123 0 40 DGAB Cc1cccc(CNc2cccc(C(=O)N3CCC[C@@H](O)C3)c2)c1 66825426 AVAOHTCOHJCHCL-LJQANCHMSA-N 324.424 3.204 0 40 DGAB C[C@@H]1CCCN(C(=O)CNc2cccc(Br)c2)C1 67849466 UHXBGMBNJQQPKR-LLVKDONJSA-N 311.223 3.120 0 40 DGAB Cc1ccccc1CN[C@@H](CN1CCN(C)CC1)c1ccccc1 69171378 IRAIJLINFPLDDH-NRFANRHFSA-N 323.484 3.073 0 40 DGAB CC(C)c1ccc(C[S@@](=O)[C@H](C)C(=O)NC(C)(C)C)cc1 69460435 FFAVBKROQNGAJB-ASSNKEHSSA-N 309.475 3.362 0 40 DGAB O=C(CCN1CCC[C@H]1c1ccc[nH]1)Nc1ccccc1F 69490566 BSEAVXXIVKTVCP-INIZCTEOSA-N 301.365 3.320 0 40 DGAB CCCNC(=O)[C@@H](C)[S@](=O)Cc1ccc(Cl)c(Cl)c1 69490576 AFZKDEWSMPFSRK-HOGDKLEQSA-N 322.257 3.157 0 40 DGAB C[C@H](O)CN1CCC(CN[C@@H](C)c2cccc(Cl)c2)CC1 69511777 GJCOWDDVTYWOMP-KBPBESRZSA-N 310.869 3.083 0 40 DGAB O=C(CCc1ccccc1)N1CCC(Nc2cccnc2)CC1 69533962 WWZMPVZKBSKLHJ-UHFFFAOYSA-N 309.413 3.117 0 40 DGAB CC(C)(C)c1ncc(NC(=O)N2CCc3sccc3C2)cn1 71855474 SBCOZWLQOSEDNP-UHFFFAOYSA-N 316.430 3.426 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)n1 71865475 SBITXTYZIBNJQI-SJORKVTESA-N 301.434 3.237 0 40 DGAB CCN1CCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CC1 72271171 QGXOXJVWKGXGTA-UHFFFAOYSA-N 307.397 3.099 0 40 DGAB COc1ccc([C@H](CO)N(C)C(=O)Nc2ccc(F)cc2)cc1 72282426 UUNQRCYATBTNHQ-INIZCTEOSA-N 318.348 3.032 0 40 DGAB CCCN(C(=O)NCC(F)(F)F)[C@H]1C[C@H](OCC)C1(C)C 72305976 VJFSJBQPQAIXOD-QWRGUYRKSA-N 310.360 3.174 0 40 DGAB Fc1ccc(-c2c[nH]c([C@@H]3COCCN3CC3CC3)n2)c(F)c1 72322019 BSLBWHORGOTWNT-INIZCTEOSA-N 319.355 3.138 0 40 DGAB biogenic,in-vitro CN(C)CCN(Cc1cccs1)C(=O)CCc1ccccc1 75108249 KCJWPHSTECTMPI-UHFFFAOYSA-N 316.470 3.271 0 40 DGAB COc1ccc(CS[C@H](C)C(=O)Nc2cc(C)no2)cc1F 78555551 AEQVQTFGVALEAN-SNVBAGLBSA-N 324.377 3.391 0 40 DGAB Cc1occc1C(=O)NC1(c2cccc(F)c2)CCOCC1 81367828 JHUMBBZEJHHDMA-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB C[C@H](NC(=O)N1Cc2ccccc2N(C)C[C@@H]1C)c1ccccn1 83693753 VEADWOXUWLWZLV-GJZGRUSLSA-N 324.428 3.193 0 40 DGAB CC(C)OCC[C@@H]1CCCCN1C(=O)Cc1ccccc1O 84621878 IGDTYEQNXZKETR-INIZCTEOSA-N 305.418 3.131 0 40 DGAB CC(C)n1nc(I)c2c(Cl)nccc21 89220060 NUONMXZGVOQRFJ-UHFFFAOYSA-N 321.549 3.270 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](CNCc2ccccc2F)C1 89223581 WDQTURHNFSRHHP-CYBMUJFWSA-N 308.397 3.172 0 40 DGAB Cc1n[nH]c(C)c1CCC(=O)N1CCc2c([nH]c3ccccc23)C1 89362333 GGXUACYDAXEILG-UHFFFAOYSA-N 322.412 3.025 0 40 DGAB biogenic CC(C)[C@H]1CN(c2ncnc3c2cnn3C(C)(C)C)CCS1 89802146 AYIPFKNGMZBHPY-CYBMUJFWSA-N 319.478 3.159 0 40 DGAB O=C(c1c[nH]c2ncccc12)N1CCSC[C@@H]1c1ccccc1 89828140 OLYYVODBWSBSNE-MRXNPFEDSA-N 323.421 3.493 0 40 DGAB C[C@H](CS(=O)(=O)NC(C)(C)c1nccs1)c1ccccc1 89904107 ZIKJZWCFVKMFSO-GFCCVEGCSA-N 324.471 3.101 0 40 DGAB CC[C@@H]1CC[C@@H](NCc2nnc3n2CCC[C@@H]3C(F)(F)F)C1 89948237 WTLRNINHCAGIAS-UTUOFQBUSA-N 316.371 3.386 0 40 DGAB OCc1ccc(CN2CC[C@@H](CSc3ccccc3)C2)o1 93757067 GCDUNBKIJLFZEG-CQSZACIVSA-N 303.427 3.386 0 40 DGAB COC(=O)N1CCC[C@H](N[C@@H](C)c2cnc3ccsc3c2)C1 95421615 BHRPXRDIWBMLQJ-AAEUAGOBSA-N 319.430 3.178 0 40 DGAB CN(C)CC[C@@H]1CCCCN1C(=O)Nc1ccc(F)cc1F 95452912 BMMSPHHXCNLZDP-ZDUSSCGKSA-N 311.376 3.303 0 40 DGAB COCCCC(=O)O[C@@H]1C[C@H](OCc2ccccc2)C1(C)C 95467950 DFYNYPJOFNIQJK-JKSUJKDBSA-N 306.402 3.340 0 40 DGAB CCC(=O)Nc1ccc2c(c1)C1(CCOCC1)CN2C(C)C 96243486 SSJOLKNRMQNOAN-UHFFFAOYSA-N 302.418 3.312 0 40 DGAB C[C@](O)(CNC(=O)Nc1cc(Cl)ccc1F)c1ccco1 96433805 FMVAFWMOFQDDLO-AWEZNQCLSA-N 312.728 3.101 0 40 DGAB Cc1ccsc1C(=O)N[C@H](c1ccccc1)[C@H](C)C(=O)O 97018279 HIUGRFSOYAYGNS-AAEUAGOBSA-N 303.383 3.248 0 40 DGAB c1csc(-c2ncc(CN3CCCC4(C3)OCCO4)s2)c1 97058891 CBAMVRZXNWEJTP-UHFFFAOYSA-N 322.455 3.211 0 40 DGAB C[C@H]1C[C@@H](NC2CCN(Cc3ccccn3)CC2)CC[C@H]1C 97113401 AXABCHIFBUYAHV-RYRKJORJSA-N 301.478 3.460 0 40 DGAB C[C@@H](NCc1nnc(-c2ccccc2Cl)o1)[C@H]1CCCO1 97374141 KPJRNWYNOMARPS-ZWNOBZJWSA-N 307.781 3.047 0 40 DGAB COc1cc([C@H]2OC[C@]3(CO)[C@@H](C)C=C(C)[C@@H]2[C@@H]3C)ccc1O 100537469 JVGXICUTXHMMNN-RJYYBVGHSA-N 318.413 3.299 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 104331780 XYZSITLJXNNJLA-OAHLLOKOSA-N 321.384 3.086 0 40 DGAB O[C@H](CN(Cc1ccccc1)C[C@H]1CCOC1)c1cccs1 108101786 BYZJGJKXEWJCCS-IAGOWNOFSA-N 317.454 3.320 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccc(C)cc1C 113960844 HMAXQMUIOQRBET-OAHLLOKOSA-N 313.397 3.396 0 40 DGAB Cc1ccc2c(c1)[C@H](NCCCOC1CCOCC1)[C@@H](C)C2 180916530 BBRCFXIZYHQPPB-HNAYVOBHSA-N 303.446 3.404 0 40 DGAB CCC(C)(C)[C@@H]1CCCN1CCCN1CCN(C(C)C)CC1 192775930 AZHXUEHXVXRXBO-SFHVURJKSA-N 309.542 3.303 0 40 DGAB O=C(Cc1ccc(Br)cn1)OCc1ccccc1 199812380 KAQQTVDDDMKCBN-UHFFFAOYSA-N 306.159 3.130 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222941999 ROXQEFRSHVWGLP-HOTGVXAUSA-N 314.458 3.049 0 40 DGAB COc1cccc(O[C@H](Cc2cc(C)cc(C)c2)C(=O)O)c1 225037210 LABDPANHJXBTPI-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1ccc(OC)c(C[C@@H](Oc2ccccc2C)C(=O)O)c1 225114325 OUEIMRDERDRPMB-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)NCC1CCCCC1 225205581 XPWLBZROJCYUTN-UHFFFAOYSA-N 317.838 3.207 0 40 DGAB O=C(/C=C/c1ccco1)NCc1ccc(-c2cccnc2)nc1 225763878 XTKOBMNDOQTWJH-SOFGYWHQSA-N 305.337 3.066 0 40 DGAB CCN(Cc1c(F)cccc1F)C(=O)[C@H](N)c1ccccc1 236909880 GKONIHVDPHFYFZ-MRXNPFEDSA-N 304.340 3.013 0 40 DGAB c1cc(COCC[C@H]2CCOC3(C2)CN(C2CCC2)C3)ccn1 253588616 KJCHUUQXPLKUNX-INIZCTEOSA-N 316.445 3.022 0 40 DGAB Cc1cc(C(=O)N2CCCC[C@H]2c2ncn3ccsc23)no1 257243905 IJAZKNAYWKFPBK-LBPRGKRZSA-N 316.386 3.060 0 40 DGAB c1cc2nccc(C[C@H]3CCCN(Cc4ncc[nH]4)CC3)c2cn1 257249504 JIRNCGZKMCAVBI-HNNXBMFYSA-N 321.428 3.198 0 40 DGAB Cc1ncoc1-c1noc([C@H]2CCCN(Cc3ccccc3)C2)n1 585086285 IKQOSVFZBXSTHD-HNNXBMFYSA-N 324.384 3.413 0 40 DGAB CCCC(=O)NC[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H](C)C2)CC1 1054792142 FUHDARDIFUFHMK-QBPKDAKJSA-N 322.493 3.262 0 40 DGAB Cc1ccc([C@@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)cc1 105125 AATJFFJZXDUIAL-IRXDYDNUSA-N 306.365 3.165 0 40 DGAB biogenic Cc1nnc2c3cnn(-c4ccc(Cl)c(Cl)c4)c3ncn12 540131 VCSMQGURDCQYBY-UHFFFAOYSA-N 319.155 3.078 0 40 DGAB Cc1cccc(NC(=O)N[C@@H](Cc2ccccc2)C(=O)O)c1C 541503 DFWZEARHHQWYMZ-INIZCTEOSA-N 312.369 3.121 0 40 DGAB biogenic COc1cccc([C@H]2CC(=O)Nc3cc(OC)c(OC)cc32)c1 816182 MGORLYLATOLEKS-CYBMUJFWSA-N 313.353 3.187 0 40 DGAB C[C@H](CCc1ccco1)N(C)S(=O)(=O)Cc1ccccc1 2380873 PPPQADGLUGLXQM-CQSZACIVSA-N 307.415 3.063 0 40 DGAB Brc1ccc(OCCSc2ncccn2)cc1 3350364 MJGJFCNOZKZQAL-UHFFFAOYSA-N 311.204 3.410 0 40 DGAB O=C(COC(=O)c1c(Cl)cccc1Cl)NC1CCCC1 3371266 BEDGOCOUQHLZFZ-UHFFFAOYSA-N 316.184 3.209 0 40 DGAB O=C(Nc1ccc2ccccc2c1)c1n[nH]c(=O)c2ccccc12 3381809 YIILSVDTECIECY-UHFFFAOYSA-N 315.332 3.329 0 40 DGAB COC(=O)c1cccc(NC(=O)COc2ccc(C)c(C)c2)c1 3434650 NZUGIUHWJXZUQE-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccc(O)cc2)c(C)n1C1CC1 3508060 MNZZBEUUGBOORG-UHFFFAOYSA-N 313.353 3.185 0 40 DGAB COC(=O)[C@H]1[C@@H](c2ccc(Cl)c(C)c2)C[C@@H]2CC[C@H]1N2C 3941518 VMITZEMDDZVHBZ-XNISGKROSA-N 307.821 3.388 0 40 DGAB in-vitro CCC[C@@H](C)NC(=O)c1ccccc1I 4550703 VUFIEPYHZZCILU-SECBINFHSA-N 317.170 3.210 0 40 DGAB C[C@@H]1CCC[C@@H](O)CCC/C=C/c2cc(O)cc(O)c2C(=O)O1 4655390 FPQFYIAXQDXNOR-BMCHVXJUSA-N 320.385 3.371 0 40 DGAB biogenic,in-vitro Cc1c(C(=O)Nc2cccnc2)oc2c1[C@@H](O)CC(C)(C)C2 5267233 VIUBUWYZBKWYDZ-LBPRGKRZSA-N 300.358 3.241 0 40 DGAB Cc1c(CC(=O)O)c(=O)oc2cc(OCc3ccccc3)ccc12 5442813 UWOHGKUPYPAKMQ-UHFFFAOYSA-N 324.332 3.308 0 40 DGAB O=C1NC(=S)N/C1=C/c1c(-c2ccccc2)[nH]c2ccccc12 5542302 NFULIMFRJDXJGZ-XNTDXEJSSA-N 319.389 3.180 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)s1 5975348 JGOSNRLIWWEQBW-CYZMBNFOSA-N 309.431 3.297 0 40 DGAB COc1ccc(NC(=O)/C=C/c2ccccc2F)c(OC)c1 6288917 SIGNDRFWLJFEBF-JXMROGBWSA-N 301.317 3.495 0 40 DGAB CCc1ccc2c(CSc3nnc(N)s3)cc(=O)oc2c1 7535601 VECHIXKOYLNGJO-UHFFFAOYSA-N 319.411 3.081 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(F)cc(F)c2)c1 7801124 NZDAGANTZYDXPR-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB Cc1ccc2nc(CN[C@@H]3CCCc4ccccc43)cc(=O)n2c1 7985959 VWDYYTRAAARZOM-GOSISDBHSA-N 319.408 3.170 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)cc1F 8259709 OOHLGGGIVRHJTC-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB C[C@@H]1Oc2ccc(N)cc2N(Cc2ccc(Cl)cc2)C1=O 11568964 PFYGRTWJFMYAFX-JTQLQIEISA-N 302.761 3.236 0 40 DGAB CONC(=O)c1cccc2c(=O)c(C)c(-c3ccccc3)oc12 11739994 QENJYIOFFFYGGM-UHFFFAOYSA-N 309.321 3.060 0 40 DGAB CC[C@@H](NC(=O)c1cnc(SC)nc1)c1ccc(F)cc1 12199958 MRLNRAPEIIHQMW-CYBMUJFWSA-N 305.378 3.219 0 40 DGAB CC(=O)c1ccc(N[C@@H](C)C(=O)N2CCc3ccccc32)cc1 12739555 VSJCVWFDZGCBLJ-ZDUSSCGKSA-N 308.381 3.279 0 40 DGAB COc1ccc(CC(=O)Nc2ccn(-c3ccccc3)n2)cc1 13005603 HWEZLUWJHGXEOD-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB COc1ccc(C(=O)NCCc2ccc3c(c2)CCCN3C)cc1 13006623 KWUNKQPHRKOLRW-UHFFFAOYSA-N 324.424 3.050 0 40 DGAB O=C(CSCc1ccccc1)Nc1ccccc1C(=O)O 13095100 VFROYXGSZVKNGZ-UHFFFAOYSA-N 301.367 3.257 0 40 DGAB CCCCNc1nnc(SCC(=O)N[C@H](C)C(C)C)s1 14093550 MSLQTLXBNOQGCH-SNVBAGLBSA-N 316.496 3.003 0 40 DGAB COc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1 14847928 DMLYXZXOAPEORC-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB COc1ccc(CC(=O)NCC2(N(C)C)CCCCCC2)cc1 14903400 RBUGMLKVXCXKNM-UHFFFAOYSA-N 318.461 3.009 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1cncc(Br)c1 15525412 SCZXXMQAQGNNQQ-CQSZACIVSA-N 317.186 3.261 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccc(N(C)C)cc1 15911301 KSYPSHAYKUAPBH-UHFFFAOYSA-N 322.412 3.303 0 40 DGAB Cc1cccc(C(=O)N2N=C(C(C)C)C[C@]2(O)C(F)(F)F)c1 17087106 ZEUAWJYWCHSVAA-AWEZNQCLSA-N 314.307 3.104 0 40 DGAB COc1cccc(-[n+]2c(C)c3c(O)cccc(OC)c-3c2C)c1 17161484 KGONFWPDBWNIGD-UHFFFAOYSA-O 310.373 3.408 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)Nc1cc(N)ccc1OC 19736190 YNNRXDXXURTJSW-HNNXBMFYSA-N 314.385 3.382 0 40 DGAB COc1cccc(-n2ccnc2SCc2cc(C)on2)c1 22886321 OLPGRQVOQLWCQG-UHFFFAOYSA-N 301.371 3.470 0 40 DGAB COCc1cccc(NC(=O)c2ccc(-n3ccnc3)cc2)c1 25335962 UPVLGVQQJDFWMI-UHFFFAOYSA-N 307.353 3.271 0 40 DGAB CONC(=O)c1cn(-c2ccc(C)cc2)nc1-c1ccccc1 25822135 GZEWVVWMMCUMPA-UHFFFAOYSA-N 307.353 3.139 0 40 DGAB Cc1cccc(Nc2nc(NCCO)c3ccccc3n2)c1C 27332955 SBDSOLGWQRBANW-UHFFFAOYSA-N 308.385 3.394 0 40 DGAB O=C(NCCCOc1ccccc1)NCCc1cccc(F)c1 29723896 FZRMFMIBWLATAB-UHFFFAOYSA-N 316.376 3.137 0 40 DGAB COc1ccc(CCNC(=O)c2cc(-c3ccccc3)on2)cc1 31333599 RSYCLOHOEKHZJX-UHFFFAOYSA-N 322.364 3.323 0 40 DGAB CCNc1nc(SCc2nnc(C)o2)nc2ccccc12 31766528 ITZXCUJKIQWXNA-UHFFFAOYSA-N 301.375 3.045 0 40 DGAB CN(C)c1ncccc1C(=O)N[C@H]1CCSc2ccccc21 31791674 BSHSNNOLUKFOFM-AWEZNQCLSA-N 313.426 3.115 0 40 DGAB CSC1=N/C(=C/c2cccs2)C(=O)N1CN1CCCCC1 31872397 ZPGSTKDPLVBGHF-JLHYYAGUSA-N 321.471 3.094 0 40 DGAB CCC(C)(C)NCc1cc(=O)oc2cc(NC(C)=O)ccc12 32513506 JGEFXOOIEWGZQP-UHFFFAOYSA-N 302.374 3.030 0 40 DGAB O=C(NCCCc1nc2ccccc2[nH]1)c1c(F)cccc1F 32902792 JJSLOKNCMWYOCM-UHFFFAOYSA-N 315.323 3.204 0 40 DGAB CCOc1ccccc1CNS(=O)(=O)Cc1ccc(C)cc1 38772854 DIBUMEKBBGTXNM-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB C[C@H](Cn1cccn1)NC(=O)Nc1ccc(Cl)c(Cl)c1 40086429 HQCBIOWGJQDJEH-SECBINFHSA-N 313.188 3.400 0 40 DGAB C[C@H](Cc1ccc(Br)cc1)NC(=O)c1ccncc1 40108461 DFEMNWYBMVUKJP-LLVKDONJSA-N 319.202 3.205 0 40 DGAB COc1ccc2nc(NC(=O)COC3CCCC3)sc2c1 40140056 DPJUVVPDZIRHPH-UHFFFAOYSA-N 306.387 3.203 0 40 DGAB O=C(NC1CC1)c1csc(NCc2ccccc2Cl)n1 40288616 FLBFUKLEBQWIHA-UHFFFAOYSA-N 307.806 3.301 0 40 DGAB O=C(c1ccc(Cl)o1)N1CCCN(Cc2cccs2)CC1 40514239 QWCGIYDYVXOPBI-UHFFFAOYSA-N 324.833 3.343 0 40 DGAB COC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)oc2ccccc23)C1 45957740 TUPOGINBLQZIKW-NSHDSACASA-N 309.321 3.112 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 46178514 YVFYQHOSIDQSNS-CZUORRHYSA-N 313.401 3.186 0 40 DGAB C[C@H](C(=O)NCCC12CC3CC(CC(C3)C1)C2)n1ccnc1 46900259 CWIBNDSVCKDMFH-ZZFFKQLHSA-N 301.434 3.167 0 40 DGAB O=C(NCC(=O)N1CCCCC1)c1ccccc1-c1ccccc1 48220039 GGBJPJCXUBRYRW-UHFFFAOYSA-N 322.408 3.096 0 40 DGAB CN(Cc1cc(Cl)cc(Cl)c1)C(=O)NC[C@@H]1CCOC1 48982796 UGKREVBKOPTBCC-JTQLQIEISA-N 317.216 3.171 0 40 DGAB Cc1ccc(C)c(OC2CCN(C(=O)c3cc(C)n[nH]3)CC2)c1 55708991 KTURTIWZWGOQFT-UHFFFAOYSA-N 313.401 3.019 0 40 DGAB CCCCNC(=O)Nc1ccc(OC)c(N2CCCCC2=O)c1 57540600 KDYXZSRRVFGTPW-UHFFFAOYSA-N 319.405 3.134 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(Br)cc1Cl 58282631 UKTVWVHSPBUYAW-ZETCQYMHSA-N 321.602 3.259 0 40 DGAB CCC[C@@H](C)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 65576264 MNZFLQPEQIEEQZ-GHMZBOCLSA-N 305.353 3.489 0 40 DGAB O=C(Nc1ccc(OC(F)F)c2ncccc12)N1CCCC1 65587952 MBMVABPVVCEHOP-UHFFFAOYSA-N 307.300 3.464 0 40 DGAB Cc1noc(C)c1CNC(=O)N1CCc2sccc2[C@@H]1C 67759012 PJIDPYYSWIUXRN-JTQLQIEISA-N 305.403 3.182 0 40 DGAB C/C(=C\c1ccccc1)CN[C@H]1CCCN(c2cccnn2)C1 69841536 RBQYVVDXSSUCHQ-QCUIPMNBSA-N 308.429 3.139 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N1CCC[C@@H](n2ccnc2C)C1 69894509 RXZRHFVJCHNTPW-CQSZACIVSA-N 316.405 3.089 0 40 DGAB COc1ccc(CNC(=O)c2ccc(-n3cccn3)cc2)cc1C 71853733 NUVXLBJROSKTTB-UHFFFAOYSA-N 321.380 3.119 0 40 DGAB C[C@H](NC(=O)COC1CCCC1)c1nc2c(s1)CCCC2 71896310 HFHUUKQDLNKXQA-NSHDSACASA-N 308.447 3.158 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2C(=O)C(C)C)c(Cl)c1 71970624 WMMKXNOWAHONOC-AWEZNQCLSA-N 308.809 3.234 0 40 DGAB Cc1nc([C@H]2CCCN(c3ccc(C(F)(F)F)cn3)C2)no1 72300234 CKYZSCIKXWYSFH-JTQLQIEISA-N 312.295 3.176 0 40 DGAB O=C(OCC(=O)C12CC3CC(CC(C3)C1)C2)[C@H]1CCCS1 72312545 GIGXYTDCDUEQCJ-DLUQRMLASA-N 308.443 3.211 0 40 DGAB Cn1c(=O)cc(C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc21 72326045 HXOCNINWEILXCU-UHFFFAOYSA-N 317.348 3.272 0 40 DGAB biogenic CC(C)Oc1ccc(CNC(=O)c2ccc3c(c2)OCO3)cc1 72331483 QJSMWAZAXFALPI-UHFFFAOYSA-N 313.353 3.133 0 40 DGAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccc(Cl)cc2)C1 72384880 QYKMEBPCSWRUHY-ZDUSSCGKSA-N 303.793 3.391 0 40 DGAB Cc1ncc(C(=O)Nc2ccc(Br)c(C)n2)s1 72512225 HKPIIXISSLEWBB-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB COc1ccc(C[C@H](C)N(C)C(=O)c2ccncc2Cl)cc1 73060769 OIIWLRFESJEOMO-LBPRGKRZSA-N 318.804 3.447 0 40 DGAB CS[C@H]1CC[C@H](N(C)C(=O)c2cccnc2NC(C)C)C1 74120099 UNNCUHUDILLQKC-STQMWFEESA-N 307.463 3.258 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)N[C@H]1CCC[C@@H](O)C1 75156728 JELAGGVMRHKZEZ-LSDHHAIUSA-N 313.397 3.272 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2c(C)noc2C)C1 76477892 AFGBJTRJTPMRDW-CHWSQXEVSA-N 311.451 3.107 0 40 DGAB C[C@H](CNc1ccccc1S(C)(=O)=O)Oc1ccccc1F 78473911 FYYCTYAUGIHPBH-GFCCVEGCSA-N 323.389 3.109 0 40 DGAB CO[C@@H](C)c1nc(CN2CCN(C)c3ccccc3C2)cs1 89913574 USMAFKIKCKQZDY-ZDUSSCGKSA-N 317.458 3.303 0 40 DGAB COc1ncccc1C(=O)O[C@H]1CCCc2nc(C)sc21 91696229 QQNSRSAPWDLJQD-LBPRGKRZSA-N 304.371 3.090 0 40 DGAB Cc1cc(CNC(=O)NCc2nc(C)c(C)o2)cc(C)c1F 95410116 NAYDLKXAQSWLAH-UHFFFAOYSA-N 305.353 3.047 0 40 DGAB OCc1ccc(CNc2cccc(-c3nc(C4CC4)n[nH]3)c2)o1 95440186 GYAZXUCIAAYLJT-UHFFFAOYSA-N 310.357 3.047 0 40 DGAB COc1ccc(NC(=O)N[C@@H]2CCO[C@@H](CC(C)C)C2)c(C)n1 95464615 SZYQPMZYOFUASH-KGLIPLIRSA-N 321.421 3.114 0 40 DGAB CN(C)c1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 95953119 ZPAHENDSUPHXML-UHFFFAOYSA-N 308.337 3.111 0 40 DGAB FC(F)CN1CCC(NC[C@@H]2C[C@]23CCc2ccccc23)CC1 95986486 LHLUSPNQQTVNOW-HNAYVOBHSA-N 320.427 3.210 0 40 DGAB CC[C@@H](C)c1cc(C(=O)Nc2cc(C(=O)O)ccc2F)on1 95989571 ZPIGAHNYQXOFGF-MRVPVSSYSA-N 306.293 3.278 0 40 DGAB CC(C)Nc1nc2c(c(NC3CC3)n1)CN(CC1CCC1)CC2 96254189 HNXKVIFBNPHWQN-UHFFFAOYSA-N 315.465 3.029 0 40 DGAB CC(C)(C)[S@@](=O)Cc1cccc(NC(=O)c2cccnc2)c1 96407254 USEKRHYPWRZFDM-JOCHJYFZSA-N 316.426 3.381 0 40 DGAB COCCCCNC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C 96415236 NXFUQRWLTGOXTD-CVEARBPZSA-N 304.434 3.309 0 40 DGAB CCCCCC(=O)N1CCc2c(cccc2N2CCOC2=O)C1 96431755 VXDACYIXMXTRFS-UHFFFAOYSA-N 316.401 3.108 0 40 DGAB Brc1cccc(NCCNCc2cncs2)c1 97048129 KQTKKUXYXWLBJO-UHFFFAOYSA-N 312.236 3.107 0 40 DGAB CCc1ccc([C@@H]2COCCN2C(=O)Nc2cccc(C)n2)o1 97099952 CYDFDLURBBXZSK-AWEZNQCLSA-N 315.373 3.151 0 40 DGAB CCn1cc(NCc2cc(=O)oc3cc4c(cc23)CCC4)cn1 97139852 TXBUSQCRXFIOSG-UHFFFAOYSA-N 309.369 3.110 0 40 DGAB Cc1n[nH]cc1CN[C@H]1CCCc2c1cnn2Cc1ccccc1 97159516 XXTMXRRBTVIHGW-SFHVURJKSA-N 321.428 3.130 0 40 DGAB Oc1cc(-c2cc[nH]n2)nc(N[C@H]2CCCc3ccccc32)n1 100223841 DBJZZGODENNTJY-ZDUSSCGKSA-N 307.357 3.062 0 40 DGAB COCCN(Cc1ccccc1)C(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 105699321 BOKTZBZAXSNQQN-BZSNNMDCSA-N 301.430 3.488 0 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3.436 0 40 DGAB CN1CCC[C@@H](Cc2ccc(-c3ccc(C(=O)O)cc3)nc2)C1 257233373 GPAMFOMUDCFJMB-HNNXBMFYSA-N 310.397 3.331 0 40 DGAB c1c[nH]c(-c2nccnc2C[C@@H]2CCN(C3CCCCC3)C2)n1 257317777 VLBYRLCRGGPNGM-AWEZNQCLSA-N 311.433 3.064 0 40 DGAB Cc1ncc(CN2C[C@H]3C[C@H](OCc4ccccc4)C[C@H]3C2)cn1 257320452 VWWZDTLWKMJFSE-PMOLBWCYSA-N 323.440 3.212 0 40 DGAB COc1ccc(-c2cnc3n2CCN(Cc2ccoc2)C3)cc1 306144086 YVRPRNHWNABJMX-UHFFFAOYSA-N 309.369 3.168 0 40 DGAB CCCOCc1c(I)cnn1[C@H](C)CC 408716692 PUBLMDFVNZPCAZ-SECBINFHSA-N 322.190 3.385 0 40 DGAB Cc1c(CN(C)C(=O)C[C@@H](C)c2ccc(F)cc2)cnn1C 548398773 CDYGWGFHLLQEAD-GFCCVEGCSA-N 303.381 3.020 0 40 DGAB O=C(NC[C@H](c1ccco1)n1cccn1)c1cccc(Cl)c1 575614137 OKTUGRWHIOQOKM-CQSZACIVSA-N 315.760 3.149 0 40 DGAB O=C(N[C@H](CC(F)(F)F)c1ccccc1)c1cn2c(n1)CCC2 582063910 LLHMVEIPDVEASC-GFCCVEGCSA-N 323.318 3.253 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@H]2CCOC2)o1 583094362 MLDANENQVGNKSL-JTQLQIEISA-N 306.289 3.199 0 40 DGAB c1ccc(OC2CCN(c3cc(NCC4CC4)ncn3)CC2)cc1 585085153 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COc1ccc(S[C@@H](C)C(=O)N2CCC(C)CC2)cc1OC 30864093 IQQHLMSMYUOHCX-ZDUSSCGKSA-N 323.458 3.443 0 40 DGAB O=C(NCCc1ccccc1)N1CCO[C@H](c2ccccc2)C1 31034085 QAQJZDRXAAKPHI-SFHVURJKSA-N 310.397 3.012 0 40 DGAB COc1c(C)ccc(NS(=O)(=O)c2ccccc2F)c1C 31722682 XLQKWTWVCPJXDU-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1ccc(F)c(S(=O)(=O)N2CCC[C@@H]2c2ccncc2)c1 32413074 BWHJOYANYZMNAY-OAHLLOKOSA-N 320.389 3.055 0 40 DGAB Cc1cccc(NC(=O)CCC(=O)OCC(F)(F)F)c1C 32581180 QYFXTXWRBWYSBI-UHFFFAOYSA-N 303.280 3.128 0 40 DGAB Cc1ccccc1N1C(=O)C[C@H](Nc2c(C)cccc2C)C1=O 36635379 YMESTXGIWSPBEA-HNNXBMFYSA-N 308.381 3.356 0 40 DGAB C[C@@H](CNC(=O)Nc1ccc(F)c(F)c1)N1CCCC[C@H]1C 40105496 GMMFLFPYJXFBGZ-NEPJUHHUSA-N 311.376 3.349 0 40 DGAB O=C1OCCN1c1cccc(CNc2ncnc3ccccc23)c1 44972251 TUSHPHRQCHCOIH-UHFFFAOYSA-N 320.352 3.199 0 40 DGAB O=C(NCCc1cn2ccccc2n1)N1CC[C@H]1c1ccccc1 45425799 HSVMTEUKNHQGTN-KRWDZBQOSA-N 320.396 3.033 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N[C@@H](C)c2ccccn2)cc1F 45560698 YYFPUWQSAVHBTI-NEPJUHHUSA-N 317.364 3.351 0 40 DGAB NC(=O)CN(Cc1csc(-c2ccccc2)n1)C1CCCC1 47274344 UYXZDVLFVCZYTR-UHFFFAOYSA-N 315.442 3.040 0 40 DGAB Cc1ccc(Oc2ccc(C(=O)Nc3cc(C)on3)cc2)nn1 49026985 AFJMQRRLYCWMQV-UHFFFAOYSA-N 310.313 3.126 0 40 DGAB CC(C)(C)CC(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58217875 WWMQBRBIIXGJTQ-LBPRGKRZSA-N 310.388 3.344 0 40 DGAB COc1ccccc1Cc1nnc(SC[C@H]2CCCCO2)o1 66260313 YHQBTZRCFYGFKF-CYBMUJFWSA-N 320.414 3.330 0 40 DGAB COc1cc(Cl)ccc1C(=O)N(Cc1cnn(C)c1)C(C)C 67057227 PKXXPEOAGORZFT-UHFFFAOYSA-N 321.808 3.133 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1cc(F)c(OC)c(F)c1 69035075 NOPJZZKDFKNGJV-LLVKDONJSA-N 314.332 3.006 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)Nc1c(C)n[nH]c1C 69350158 SUKAMCTYKVCGOL-QMMMGPOBSA-N 306.341 3.057 0 40 DGAB Cc1ccc(C(=O)N(C)C2CCN(c3ccccn3)CC2)cc1 69461109 GNRXCTPOWGWWIH-UHFFFAOYSA-N 309.413 3.131 0 40 DGAB CCSc1ccc(NC(=O)N[C@H](C)c2ccncc2)cn1 69513672 VQRFHCBORLDPSZ-LLVKDONJSA-N 302.403 3.471 0 40 DGAB COC(=O)N1CCCN(C(=O)Nc2ccc(C(C)C)cc2)CC1 69570655 AWVDJYFMKXSUHA-UHFFFAOYSA-N 319.405 3.116 0 40 DGAB CNC(=O)[C@H](NCc1ccc(C)cc1C)c1ccc(F)c(F)c1 69633013 RQAWPLUVILZETK-QGZVFWFLSA-N 318.367 3.159 0 40 DGAB Cc1ccc2c(CNc3ccc(C(N)=O)c(C)c3)cc(=O)oc2c1 69778211 UEGMAVBWALTRAY-UHFFFAOYSA-N 322.364 3.121 0 40 DGAB COCCCNC(=O)Nc1ccc(-c2nc(C)cs2)cc1 69870516 ISGWPOABROPQGD-UHFFFAOYSA-N 305.403 3.277 0 40 DGAB CS(=O)(=O)Nc1c(Cl)cc(Br)cc1Cl 70223580 GNJCQIKKFOXXCM-UHFFFAOYSA-N 319.007 3.127 0 40 DGAB Cc1ccc2nc(C)c(C(=O)Nc3c(F)cccc3F)n2c1 71459315 FNVGJUZKSMTUMT-UHFFFAOYSA-N 301.296 3.482 0 40 DGAB FC(F)(F)c1nc(Br)ncc1Br 71790190 VBRLEROVGVYLPR-UHFFFAOYSA-N 305.879 3.020 0 40 DGAB Cc1cnn(C[C@H]2CCCN2Cc2nc3ccccc3nc2C)c1 71878651 HTRHSCZLBWKZRY-MRXNPFEDSA-N 321.428 3.108 0 40 DGAB O[C@@H](CNc1ncccc1C(F)(F)F)c1ccc(F)cc1 71952734 LMJBDUSCIINKEX-LBPRGKRZSA-N 300.255 3.385 0 40 DGAB COc1ccc(O[C@H](C)C(=O)N2CCC[C@@H]2c2ccc[nH]2)cc1 71997156 LYQAOGHTBRCNPM-CXAGYDPISA-N 314.385 3.154 0 40 DGAB CC(C)(C)SCC(=O)N(C[C@H]1CCCO1)c1ccncc1 72284842 ZZMIVKUBAVRYBE-CQSZACIVSA-N 308.447 3.125 0 40 DGAB CCc1noc(C)c1C(=O)N1CCCC[C@@H]1c1nccs1 72298574 ZOVITSICDNUVFT-GFCCVEGCSA-N 305.403 3.369 0 40 DGAB Cc1csc(CCNc2ccc([C@@H]3CCCN3C)nc2)n1 72365557 BZAQAUSWTRIYTF-HNNXBMFYSA-N 302.447 3.268 0 40 DGAB CC(C)N1CCC[C@@H](c2cc(C(F)(F)F)nc3nccn23)C1 72367732 HRSKUXJPFMWQGC-LLVKDONJSA-N 312.339 3.336 0 40 DGAB O=C(N[C@@H](n1ccnc1)C(Cl)(Cl)Cl)c1ccccc1 72414136 HMEZUJAJXLQKSN-NSHDSACASA-N 318.591 3.182 0 40 DGAB Cc1cnc(CN[C@](C)(CNC(=O)OC(C)(C)C)C(C)C)o1 72634733 ZJDYRXYJCDGHNS-MRXNPFEDSA-N 311.426 3.012 0 40 DGAB O=C(c1ccc(F)cc1F)N(CC(F)(F)F)C1CCOCC1 75166657 VUZFPZHWCVECLQ-UHFFFAOYSA-N 323.261 3.148 0 40 DGAB COc1ccccc1[C@H]1CCCN1C(=O)CCc1cscn1 75694174 ZVVHVMXEHMDPBN-OAHLLOKOSA-N 316.426 3.448 0 40 DGAB COc1ccc([C@@H](O)CNc2ccnc3ccccc23)cc1OC 77982356 BPFOSFXOKZZCJL-KRWDZBQOSA-N 324.380 3.398 0 40 DGAB CCO[C@@H](C)C(=O)N[C@@H](CC)c1nc(C(F)(F)F)cs1 78950854 YQUOCQCPCFTDKD-YUMQZZPRSA-N 310.341 3.154 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)S(=O)(=O)C[C@@H]1CCCCO1 79013864 BDHWQDPTECHRKC-FZMZJTMJSA-N 302.823 3.385 0 40 DGAB CC[C@H](/C(O)=N/S(C)(=O)=O)c1cccc(C(F)(F)F)c1 83937397 ALXPNUOVYFKHLA-JTQLQIEISA-N 309.309 3.115 0 40 DGAB Cc1nc(Cl)cc(N[C@@H]2CCN(C)[C@@H]2c2ccccc2)n1 89708990 CDCLRFAWJNZEKQ-CZUORRHYSA-N 302.809 3.296 0 40 DGAB C[C@@H]1CCCN(C(=O)Nc2cccc(C(F)(F)F)c2)[C@H]1CO 89852877 IQSYWFOIOSZRLC-MFKMUULPSA-N 316.323 3.330 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NCC[C@H](O)c1ccoc1 90612912 WZNRZKKSKMMSKA-NFAHFFEMSA-N 305.761 3.186 0 40 DGAB COc1cccc(N2CCC(N[C@H](C)CC(C)(C)OC)CC2)c1 95421278 LYWMBWQPBYLZGL-OAHLLOKOSA-N 320.477 3.457 0 40 DGAB Cc1nc(C)c(C(=O)N(Cc2ccc(O)cc2)CC2CC2)o1 95427661 NUNNTIVMAGTXFF-UHFFFAOYSA-N 300.358 3.049 0 40 DGAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(-c2cccc(F)c2)n1 95534030 ZMEBICWFBHHHIJ-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB COc1cc(C)c([C@H](C)NC(=O)c2[nH]c(C)cc2C)cc1OC 95966001 YBQZARJTBFYYNN-ZDUSSCGKSA-N 316.401 3.448 0 40 DGAB Fc1ccc(CN2CCC[C@]3(C[C@H](n4ccnc4)CO3)C2)cc1 96048558 XFUMQKSJHUFULB-ROUUACIJSA-N 315.392 3.018 0 40 DGAB C/C(=C\C(=O)NC[C@H]1CCN(CCc2ccccc2)C1)C1CC1 96258894 CEYAGWGIGAJQST-IYICPGQYSA-N 312.457 3.024 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)NCc2ccsc2)C1 96436126 RSNLDOOBKSYARU-CHWSQXEVSA-N 324.446 3.058 0 40 DGAB Cc1noc(C)c1N(C)C(=O)c1cc(-c2cccs2)n[nH]1 96450421 JSKRPVCNGGEUJO-UHFFFAOYSA-N 302.359 3.020 0 40 DGAB CC[C@H](N[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1ccncc1 96493647 UQZLXAKPYGMEAC-CABCVRRESA-N 305.422 3.132 0 40 DGAB Cc1ccc(CN[C@](C)(CO)c2cccc(C(F)(F)F)c2)nc1 97015931 MMXDIFQZVPIDDW-MRXNPFEDSA-N 324.346 3.406 0 40 DGAB Cn1cc(CNC[C@@H]2CCN(C3CC3)C2)c(C2CCCCC2)n1 97086496 GIWHBRZMQNUZRH-HNNXBMFYSA-N 316.493 3.042 0 40 DGAB CC(=O)NC1(c2noc(C3[C@H]4CCCC[C@H]34)n2)CCCCC1 104226231 ODVKPYYPZVVEPG-STQMWFEESA-N 303.406 3.269 0 40 DGAB O=C1[C@@H]2CC=CC[C@H]2C(=O)N1CSCc1ccc(Cl)cc1 104346462 HZZZSAWVLHCGGQ-ZIAGYGMSSA-N 321.829 3.482 0 40 DGAB CCc1nccn1[C@@H]1CCCN(CCOc2ccc(F)cc2)C1 106216972 DHFMMSAOXFGLPY-MRXNPFEDSA-N 317.408 3.301 0 40 DGAB Clc1ccc(N2CCN(c3ccnc(C4CC4)n3)CC2)cc1 110307937 AWTAOTUCIFJUKY-UHFFFAOYSA-N 314.820 3.334 0 40 DGAB O=C(c1ccc2c(c1)OCC1(CC1)CO2)N1CCCCCC1 225366745 JUYKKVYWIJQJPB-UHFFFAOYSA-N 301.386 3.254 0 40 DGAB CCSCc1cccc(NC(=O)N2CC[C@H](C)[C@@H]2CO)c1 225507509 QOEZBKRXWUVSAA-WFASDCNBSA-N 308.447 3.174 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=S)Nc2cccc(C)n2)cc1 225643598 BRJGUPQBOLNGRV-CQSZACIVSA-N 315.442 3.452 0 40 DGAB CCCNC(=O)Nc1ccccc1C(=O)NC1CCCCC1 225772351 RIYMURAVQKVRSD-UHFFFAOYSA-N 303.406 3.281 0 40 DGAB COc1ccccc1NC(=O)c1cc2cc(C)ccc2oc1=O 226036778 BFKVXOJAQKNDOI-UHFFFAOYSA-N 309.321 3.362 0 40 DGAB CCc1cc(N)cc(Br)c1N1C[C@H](C)O[C@H](C)C1 226315852 DLZSWQGSMDZELU-AOOOYVTPSA-N 313.239 3.207 0 40 DGAB CC1(C)[C@H]2CCC3=C[C@](C)([C@H](O)CO)CC[C@H]3[C@@]2(C)CC[C@H]1O 253589801 NCAZLDCEJHFJDT-ZLDOSZBNSA-N 322.489 3.280 0 40 DGAB biogenic O=C(c1ccc2ccccc2n1)N1CCC[C@@H](c2cnccn2)C1 257241558 HYNNGMIXQZFXPO-OAHLLOKOSA-N 318.380 3.045 0 40 DGAB CCOC(=O)c1[nH]c(Br)c(Br)c1C 306560588 RWIUCUILHXKRMA-UHFFFAOYSA-N 310.973 3.025 0 40 DGAB Cc1ccc(-c2cnc(NC(=O)c3ccnn3C)s2)c(C)c1 390833445 HODBHLCOSHJEPB-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB Cn1c(-c2nc(-c3ccc(Cl)c(Cl)c3)no2)cccc1=O 546242157 VTIOGGOKBCJIQB-UHFFFAOYSA-N 322.151 3.409 0 40 DGAB COC(=O)CCC(=O)c1cc(OC(F)(F)F)ccc1Cl 575361594 VFPBEKNCODTMRR-UHFFFAOYSA-N 310.655 3.375 0 40 DGAB Cc1cc(C)c(CNC(=O)N2CCc3ccccc3CC2)cn1 582405858 WKVBUGYIOKCTRE-UHFFFAOYSA-N 309.413 3.009 0 40 DGAB Brc1ccsc1-c1noc([C@H]2CCCOC2)n1 585120397 LHWBPKUQTFZNLR-ZETCQYMHSA-N 315.192 3.455 0 40 DGAB CC1CC(CN2CCC3(C2)CN(C(=O)c2ccc(F)s2)C3)C1 1073480156 HDBRIBXGLNOODN-UHFFFAOYSA-N 322.449 3.081 0 40 DGAB Cc1nc(C2(C)CCN(c3cnccn3)CC2)c2sccn12 1848352064 SWPUUGKQHFXGQR-UHFFFAOYSA-N 313.430 3.052 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccc2nc(C3CC3)cn2n1 1888904080 LRYMMRFIPUSDSD-UHFFFAOYSA-N 322.368 3.176 0 40 DGAB COc1ccc(C(=O)NCCn2ccc3ccccc32)cc1OC 427845 XGJGTJDVZIDQBJ-UHFFFAOYSA-N 324.380 3.089 0 40 DGAB biogenic CCSc1nc2c(c(=O)n1-c1ccccc1OC)SCC2 2459470 DQFLYBMARWZPTR-UHFFFAOYSA-N 320.439 3.001 0 40 DGAB CN(Cc1ccccc1)C(=O)Cc1cnn(-c2ccccc2)c1 24261799 BBDILQSXUNJZIR-UHFFFAOYSA-N 305.381 3.073 0 40 DGAB C[C@H](NC(=O)c1ccccc1-n1cccn1)[C@H]1C[C@H]2CC[C@H]1C2 105668300 XQUQYJXZBKUKAX-QBYUYEEZSA-N 309.413 3.427 0 40 DGAB CS[C@@H](C)C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 43037584 XWQCPDTWIQQJRO-RYUDHWBXSA-N 304.415 3.285 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c1C 4385166 HRPXHIUOPWNSCH-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB Cc1ccccc1NC(=O)N1CCC(NC(=O)C(C)(C)C)CC1 4888424 ARWRCTAPRGZXNN-UHFFFAOYSA-N 317.433 3.154 0 40 DGAB CC(=O)CC[C@@]1(C)OC(=O)[C@@H](C)[C@H]2[C@@H]1CC[C@@]1(C)C(=O)CC[C@@H]21 4974618 NHZLUFNTQGVTCV-PWHRNODTSA-N 320.429 3.319 0 40 DGAB COCc1ccccc1NCC(=O)Nc1ccc(F)c(F)c1 55849066 CSHKINJDSGRDLM-UHFFFAOYSA-N 306.312 3.162 0 40 DGAB CC[C@@H](NC(=O)N[C@@H]1CCCc2c1cnn2C)c1cccs1 57242384 NPLIQDUBSZNSNZ-CHWSQXEVSA-N 318.446 3.310 0 40 DGAB COc1ccc(-c2nnc(CN3C[C@H](C)C[C@@H](C)C3)o2)cc1 27342646 SBNAMIFTPSKMEZ-CHWSQXEVSA-N 301.390 3.223 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)CCc1cccs1 58357406 GKLIBWWKIXKHNN-UHFFFAOYSA-N 312.398 3.209 0 40 DGAB NC[C@H]1CC[C@H](C(=O)N[C@H](c2ccccc2)c2ccncc2)CC1 100768868 VFQIHCZEKIVMNH-AYOQOUSVSA-N 323.440 3.052 0 40 DGAB CSc1ncccc1C(=O)NCCCOc1ccccc1 11086071 JFKVONKENCOXNN-UHFFFAOYSA-N 302.399 3.002 0 40 DGAB COc1ccc2c(-c3ccccc3)cc(SCC(N)=O)nc2c1 2621217 XPPIUHIMGCWDRR-UHFFFAOYSA-N 324.405 3.488 0 40 DGAB O=C1CN(c2ccccc2)C(=O)N1Cc1c(F)cccc1Cl 47170109 AJUREZMMWAHLBJ-UHFFFAOYSA-N 318.735 3.448 0 40 DGAB CCCC(=O)N1CCC(OC(=O)c2cccc3cc[nH]c23)CC1 95404938 KHYOANZRQCJNDF-UHFFFAOYSA-N 314.385 3.116 0 40 DGAB CCOCCCNC(=O)Nc1ccc(C)cc1Br 48286571 FJXUQYHNUPIZJF-UHFFFAOYSA-N 315.211 3.306 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@H]1c1ccncc1 48207676 HFBFDGWFTVCGNK-HNNXBMFYSA-N 312.373 3.244 0 40 DGAB Cc1cccc(OCC(=O)N2CCC(Nc3ccccc3)CC2)c1 48292078 DXEPXDNWVMBTNB-UHFFFAOYSA-N 324.424 3.477 0 40 DGAB CC[C@H](NC(=O)N[C@@H](CCO)C1CCCCC1)c1ccncc1 95424799 QIYHLMBRTOJXGN-IRXDYDNUSA-N 319.449 3.163 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCC[C@H]1c1nnc2ccccn12 12896647 UDRUPTUIGOHDGY-PCUGXKRQSA-N 318.380 3.106 0 40 DGAB Cc1noc(C)c1C(=O)O[C@@H](C)C(=O)c1cccc(Cl)c1 12817170 ZMYDZFSSXNGGJU-JTQLQIEISA-N 307.733 3.373 0 40 DGAB C[C@@H](C(=O)N1CCc2ccccc21)N1CCc2ccccc2C1 3427474 HKTYRMXOTZAKLP-HNNXBMFYSA-N 306.409 3.023 0 40 DGAB COc1ccc(-c2noc(Cn3cnc4ccccc43)n2)cc1 9153963 AMEALIDOJBLAHH-UHFFFAOYSA-N 306.325 3.143 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2ccccc2F)c1C 3587644 WLJRFMRNLFXPHE-UHFFFAOYSA-N 317.316 3.013 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1F)c1c(F)cccc1F 3532649 WEBSYKDDTADLKJ-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB Cc1ccccc1CN(C)[C@@H](C)C(=O)NCc1cccs1 12902161 WONXGNOVTWGHNX-AWEZNQCLSA-N 302.443 3.193 0 40 DGAB Cc1nc([C@@H]2CCCCCN2C(=O)c2cc(C(C)C)no2)no1 96001119 DZSYQKWVFYVMOG-ZDUSSCGKSA-N 318.377 3.247 0 40 DGAB COc1ccc([C@@H](C)NC(=O)CC2(C(=O)O)CCCC2)cc1F 13469406 CCSFEQPUELHBSJ-LLVKDONJSA-N 323.364 3.047 0 40 DGAB O=C(c1cn2ccccc2n1)N1CCCCC[C@H]1c1ccncc1 49764585 KLUYGAMARIPRHF-KRWDZBQOSA-N 320.396 3.487 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2ccncc2)cc1C 39973867 NQYUBGRJJWLTIS-CQSZACIVSA-N 304.415 3.046 0 40 DGAB CSc1nnc([C@@H](CC(C)C)NC(=O)OC(C)(C)C)o1 6256142 ZMHBXBXZTBZNTF-SECBINFHSA-N 301.412 3.403 0 40 DGAB Cc1cccc(C)c1NC(=O)NCc1nc(-c2ccccc2)n[nH]1 72275391 VKJMOPKNQPNDBY-UHFFFAOYSA-N 321.384 3.410 0 40 DGAB CCc1cccc(NC(=O)CCCCC[C@H]2NC(=O)N[C@H]2C)c1 4520361 LCMCFIMDFHOMQO-XJKSGUPXSA-N 317.433 3.208 0 40 DGAB COC(=O)c1cc(O)c2c(c1)Oc1nc3ccccc3nc1O2 5526411 MGADSRWYWOYVTL-UHFFFAOYSA-N 310.265 3.020 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)c2cccc(Cl)c2)cc1 4776190 SLJSCUZUUJUMLL-UHFFFAOYSA-N 308.786 3.305 0 40 DGAB Cc1cc(C)cc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@H]2C)c1 4783504 LKWUFTVWLVQDEP-HOCLYGCPSA-N 317.433 3.262 0 40 DGAB C[C@H](Cc1ccccc1)NC(=O)[C@@H]1CC[C@@](C)(C(=O)O)C1(C)C 5603623 ZIPFLVNUPROOQC-WTANOLMUSA-N 317.429 3.261 0 40 DGAB O=C(COCc1nc2ccccc2s1)NCc1ccccc1 6788990 WXMKDLUFTIRBGV-UHFFFAOYSA-N 312.394 3.129 0 40 DGAB O=S(=O)(N[C@H]1CCCc2ccccc21)c1ccccc1F 7375949 PVDOMPLBCMJSNP-HNNXBMFYSA-N 305.374 3.182 0 40 DGAB Cc1ccc(C)c(C(=O)O[C@H](C)C(=O)NC2CCCCC2)c1 7439217 CVMBWLXYXJJWCD-CQSZACIVSA-N 303.402 3.298 0 40 DGAB CSc1ccccc1C(=O)OCC(=O)c1cc(C)n(C)c1C 7431597 DIGRZRWGTXOGMQ-UHFFFAOYSA-N 317.410 3.404 0 40 DGAB CNC(=O)C(=O)c1c(-c2ccc(Cl)cc2)cc2ccccn12 408618795 GQHCUQBSJCUTSU-UHFFFAOYSA-N 312.756 3.188 0 40 DGAB COC(=O)Nc1ccc(O[C@H](C)C(=O)N(C(C)C)C(C)C)cc1 71965506 LIGIWAVHMNNWEW-CYBMUJFWSA-N 322.405 3.278 0 40 DGAB Cc1cc(C)n(C2CN([C@@H](C)c3nnc(-c4ccccc4)o3)C2)n1 69567561 XFCOHTOLQYCEQQ-AWEZNQCLSA-N 323.400 3.168 0 40 DGAB O=C(NC1CCC(O)CC1)N1CCCC[C@H]1Cc1ccccc1 69582041 KZGUFSHSLPRSBV-ADKAHSJRSA-N 316.445 3.097 0 40 DGAB Cc1csc(NC(=O)/C=C/c2cnn(Cc3ccccc3)c2)n1 8982739 GVJLMJMIXQFFNN-BQYQJAHWSA-N 324.409 3.348 0 40 DGAB CC(C)COC1CCN(C(=O)[C@@H]2C[C@H]2c2ccccc2)CC1 84544363 YFIOWUNLCZBWLM-ZWKOTPCHSA-N 301.430 3.454 0 40 DGAB Brc1cccc(Cn2ccc(Br)n2)c1 95444385 IXDQSHZHUMWEAE-UHFFFAOYSA-N 315.996 3.456 0 40 DGAB CC(C)[C@@H](O)C1(CNCc2ccc3c(c2)CC(C)(C)O3)CC1 95989214 SDLIGAWRQJWJJB-QGZVFWFLSA-N 303.446 3.287 0 40 DGAB CCn1nnc2cc(C(=O)Nc3ccc4oc(C)nc4c3)ccc21 9909273 MUFJCIINDGFTGQ-UHFFFAOYSA-N 321.340 3.153 0 40 DGAB COc1ccccc1CN(Cc1cscn1)C[C@H]1CCCO1 89473664 GCGCCCJQRCEEDC-MRXNPFEDSA-N 318.442 3.333 0 40 DGAB CCc1ccccc1NC(=O)c1cccc(CN2CCOCC2)c1 20492978 XHBQULYOCMPJGC-UHFFFAOYSA-N 324.424 3.334 0 40 DGAB C[C@@H]1CN(C(=O)NCc2ccco2)C[C@@H](c2ccsc2)O1 89936973 CMMNYBYGERPHOB-RISCZKNCSA-N 306.387 3.013 0 40 DGAB CCCCNC(=O)[C@H]1CCCN(Cc2ccc(Cl)cc2)C1 28221071 JNOVUQUBOJDOAH-HNNXBMFYSA-N 308.853 3.468 0 40 DGAB Cc1nc(-c2ccccc2Cl)nc(N2CCC(O)CC2)c1C 65491585 LETQSVCWWSIBQJ-UHFFFAOYSA-N 317.820 3.375 0 40 DGAB c1cn(-c2ccc(CN3CCC[C@@H]3[C@@H]3CCCOC3)cc2)cn1 516766593 ZAWFEWHDSIFSLN-IEBWSBKVSA-N 311.429 3.263 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)c1ccccn1 32405129 CLWBSYBQCIMVMQ-LLVKDONJSA-N 310.806 3.083 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](OCc2ccc(Cl)nc2)C1 79439695 FMCLDZORAMKJCM-GFCCVEGCSA-N 312.797 3.261 0 40 DGAB COc1cc(C(=O)NCc2ccc(F)cc2)nc2ccccc12 72329569 QLFVHSDDPPFDJC-UHFFFAOYSA-N 310.328 3.313 0 40 DGAB COc1cc(F)c([C@@H](C)NC(=O)Cc2cccs2)cc1OC 74611445 RGKLJTKKSMYEAR-SNVBAGLBSA-N 323.389 3.324 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2ccccc2CNC(=O)[C@@H]2C[C@@H]2C)C1 48344943 NETOMWBLWZCCJP-IUVQAAGXSA-N 314.473 3.437 0 40 DGAB O=C(NCCCn1cccc1)c1csc(-c2ccccc2)n1 49028419 ICNFPMLEUVRHBA-UHFFFAOYSA-N 311.410 3.432 0 40 DGAB CCSc1ccccc1C(=O)N1CC2(COC(C)(C)OC2)C1 70971808 YURNTPHOMKFQFU-UHFFFAOYSA-N 321.442 3.024 0 40 DGAB Cc1cc(NC(=S)NC2CCCC2)ncc1Br 224033950 YNJNQFBHGTTWEM-UHFFFAOYSA-N 314.252 3.382 0 40 DGAB CCOc1ccc(CNC(=O)Cc2ccc(OC)c(C)c2)cc1 225602988 NTCGYOAQQBWNOR-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB COc1ccc(C(=O)NCCCc2ccccc2OC)cc1F 225392699 RETLHJUCMKIABI-UHFFFAOYSA-N 317.360 3.206 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)NC(C)(C)C3CCC3)ccc21 571854249 MOJIEQOPPNBHIX-UHFFFAOYSA-N 315.417 3.296 0 40 DGAB CCOC(=O)c1cc(NC(=O)[C@@](C)(CC)OC)ccc1OCC 225790619 LQIIRAYIUBMPRO-QGZVFWFLSA-N 323.389 3.016 0 40 DGAB CC(C)(C[C@@H]1CCCN(C(=O)NC2C[C@@H]3C[C@H]3C2)C1)C(=N)O 333447452 XURZTWSDUOZUCV-AVGNSLFASA-N 307.438 3.158 0 40 DGAB CC(=O)COC(=O)c1csc(Nc2ccc(C)c(C)c2)n1 199408639 XGEJTOAQZOGWLC-UHFFFAOYSA-N 304.371 3.249 0 40 DGAB COCCCN1CCO[C@H](c2ccc(C(F)(F)F)cc2)C1 96501291 MTWYEEUOEOYNKH-AWEZNQCLSA-N 303.324 3.115 0 40 DGAB O=C(NCc1ccncc1)Nc1nc(Cc2ccccc2)cs1 97372894 ZAVPTWSOJXWDSJ-UHFFFAOYSA-N 324.409 3.451 0 40 DGAB CC(C)[C@]1(C)C[C@H]1N=c1[nH]n2cc(-c3cccnc3)nc2s1 578737244 QWYUDIVMZUCHGP-CJNGLKHVSA-N 313.430 3.121 0 40 DGAB COc1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)c(C)n1 96470612 PSGFLMSNPURZTI-INIZCTEOSA-N 312.369 3.041 0 40 DGAB C[C@@H](Cc1ccsc1)N[C@H]1CCN(c2ncccc2F)C1 96479257 YCZZTXWXIUSYNV-JSGCOSHPSA-N 305.422 3.082 0 40 DGAB COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@@H]1Cc1ccccc1 242437254 BVDCGWOBJZAZMI-RDTXWAMCSA-N 319.401 3.076 0 40 DGAB O=C(NN1CCCCC1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F 585088763 JFXRFYSSIKXENE-TYUFSLCMSA-N 304.356 3.118 0 40 DGAB COc1cc(CN2CCC[C@@H](c3nc(C)c[nH]3)C2)ccc1F 257213732 CIWOYYKIEIKQNS-CQSZACIVSA-N 303.381 3.245 0 40 DGAB Cn1ccc(-c2nc(O)c3cc(C(C)(C)C)sc3n2)cc1=O 585137222 MQVGYHMGNSGUKQ-UHFFFAOYSA-N 315.398 3.060 0 40 DGAB c1cncc(CN2CCOC[C@H](Cc3ccc4[nH]ccc4c3)C2)c1 257331910 XUUITLPNWSKXAI-GOSISDBHSA-N 321.424 3.254 0 40 DGAB Cc1cc(-c2nccn2C)nc([C@@H]2CCCN(CC(C)C)C2)n1 257210107 BTERBNZXRUTMQH-OAHLLOKOSA-N 313.449 3.021 0 40 DGAB CC1CCN(C(=O)Cc2csc(-c3ccccn3)n2)CC1 26641559 WTALEXFGNIVLAW-UHFFFAOYSA-N 301.415 3.006 0 40 DGAB CO[C@@H](CNC(=O)c1ccc(N(C)C)cc1)c1ccccc1C 96104957 CRKTZMYWJOKGMH-SFHVURJKSA-N 312.413 3.179 0 40 DGAB O=C(NC[C@@H](O)c1cccc(Cl)c1)Nc1ccc(F)cc1 31097590 KSABTPSPWXHCRS-CQSZACIVSA-N 308.740 3.334 0 40 DGAB Cc1nc(-c2ccccc2)ccc1C(=O)NC1CCC(O)CC1 53252773 JRLJVMHEVRQIQI-UHFFFAOYSA-N 310.397 3.090 0 40 DGAB Cc1cccc(-c2n[nH]c(/N=C(\O)CSC(C)(C)C)n2)n1 76967194 ZVTVRHPLXXBYRE-UHFFFAOYSA-N 305.407 3.295 0 40 DGAB CCOc1ccc(NC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)cc1 13135099 DDBPPLROZBHLGF-BAUKFBFWSA-N 315.413 3.355 0 40 DGAB CCN1C(=O)[C@H]2[C@@H]3C=C[C@@H](C3=C3C4CC5CC(C4)CC3C5)[C@H]2C1=O 13617825 KGLHNUDTVFYQOY-PTDAPRTISA-N 323.436 3.176 0 40 DGAB O=C(/C=C/c1cnc2ccccc2n1)Nc1nnc(C2CC2)s1 14129715 OYHWCFXVYYVDOQ-BQYQJAHWSA-N 323.381 3.011 0 40 DGAB CC(C)C(=O)Nc1ccc(I)cc1F 14258264 IPHNBBPSUJFXIF-UHFFFAOYSA-N 307.106 3.025 0 40 DGAB Cc1ccc(-n2nnnc2/C=C\Nc2ccc(F)cc2F)cc1 16311411 ZXEQEQCMEFITQK-HJWRWDBZSA-N 313.311 3.332 0 40 DGAB COc1ccc(CN2CCC(c3n[nH]c4ncccc34)CC2)cc1 19555006 IUPBIIKVLFIVFN-UHFFFAOYSA-N 322.412 3.346 0 40 DGAB CC(=O)c1cccc(N2C(=O)[C@H]3[C@H]4CC[C@H](C4=C(C)C)[C@H]3C2=O)c1 169311371 NVUNITSESMJPAG-LVYXFOGZSA-N 323.392 3.371 0 40 DGAB Cc1ccccc1C(=O)Nc1cc(C)c2nc(NN)sc2c1 226309264 HQCKJLZAGYBKBG-UHFFFAOYSA-N 312.398 3.451 0 40 DGAB Cc1ccnc(N2CC(n3c(C(C)(C)C)nc4ccccc43)C2)n1 1889151969 HDZKTUYANTVDQG-UHFFFAOYSA-N 321.428 3.494 0 40 DGAB CN(Cc1nc2ccccc2n1C(F)F)C[C@@H]1CCCCO1 50075112 GQUWWLRBOBRDRT-LBPRGKRZSA-N 309.360 3.432 0 40 DGAB Cc1cnc(C(=O)N2CCC[C@@H]2c2ccc(Cl)cc2)cn1 30367372 JRFGUTDIJIPIBS-OAHLLOKOSA-N 301.777 3.416 0 40 DGAB Cc1ccc(NC(=O)CSCC(=O)NC2CCCCC2)cc1 148710 ATRNSPVOGOKYFJ-UHFFFAOYSA-N 320.458 3.116 0 40 DGAB CCCc1nc(C)c(C(=O)Nc2nnc(C3CC3)s2)s1 40523335 IITLHCKIBXBHDJ-UHFFFAOYSA-N 308.432 3.385 0 40 DGAB COc1cccc2cc(CNCc3ccc4c(c3)OCO4)oc12 32739807 WEXQNKBLAHYOOU-UHFFFAOYSA-N 311.337 3.460 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1cc(C)c(C)s1)c1ccccc1 32845648 RGYYLMYOSDECHM-CQSZACIVSA-N 317.410 3.399 0 40 DGAB NC(=O)[C@@H](OC(=O)c1cc(Cl)cc(Cl)c1)c1ccccc1 32869119 RAYRFDMJHNGTLV-ZDUSSCGKSA-N 324.163 3.377 0 40 DGAB CN(C)C(=O)[C@@H]1CCCN1Cc1ccc(-c2ccccc2)cc1 22014194 QRRFZVBJAMOJFL-IBGZPJMESA-N 308.425 3.406 0 40 DGAB Cn1ccc(CN[C@H](c2ccc(F)cc2)C(C)(C)C)cc1=O 53644011 LSCCKZSHZSFKHY-QGZVFWFLSA-N 302.393 3.401 0 40 DGAB O=c1oc2cc(O)ccc2cc1-c1nnc(-c2ccccc2)o1 175817 GTHGYHHOVUKFCI-UHFFFAOYSA-N 306.277 3.216 0 40 DGAB O=C1O[C@H](C(=O)Nc2ccccc2Cl)Cc2ccccc21 205509 ONRVDQJNNBPJLU-AWEZNQCLSA-N 301.729 3.060 0 40 DGAB COc1ccc2cc(CNc3ccccc3OC)c(=O)[nH]c2c1 421144 IEWTWEPLTOMFAY-UHFFFAOYSA-N 310.353 3.157 0 40 DGAB COc1ccc(NC(=S)NC(=O)c2ccc(C)cc2C)cc1 570474 QSPRXMLHAICFOW-UHFFFAOYSA-N 314.410 3.439 0 40 DGAB O=C(Cn1c(-c2ccccc2)cc2ccccc21)N1CCOCC1 1643129 ZUQMJTPHFCMCHD-UHFFFAOYSA-N 320.392 3.167 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(F)cc1 1981111 RHWXAWLBRVJDDW-NSHDSACASA-N 317.316 3.018 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)NCc2ccccc2)n1 2237762 JQIDVLUOARUBAT-UHFFFAOYSA-N 321.380 3.294 0 40 DGAB COc1ccc(OC)c(C(=O)C[C@H]2OC(=O)c3ccccc32)c1 2445094 DDXYDRDVCOYKNX-QGZVFWFLSA-N 312.321 3.188 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCCOc2ccccc2)c1C 3313328 MRBDHEDFFKJBLT-UHFFFAOYSA-N 301.342 3.070 0 40 DGAB CCOc1ncccc1C(=O)NCCc1ccc(Cl)cc1 3363601 GNFCUBYTZAFLPI-UHFFFAOYSA-N 304.777 3.106 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)COC(=O)c1cccc(Cl)c1 3385601 ZYYOQKJFVWSVIE-BXUZGUMPSA-N 309.793 3.192 0 40 DGAB CN(C)CCCO[S@](=O)C(c1ccccc1)c1ccccc1 4769417 ZNIVSAVTRWQQHB-JOCHJYFZSA-N 317.454 3.408 0 40 DGAB Cc1cccc(CCNc2nc3ccccc3n3cnnc23)c1 4823230 PGTDWPDEOCTIKK-UHFFFAOYSA-N 303.369 3.241 0 40 DGAB O=C1c2cc3c(cc2CC[C@@H]1c1ccc2c(c1)OCO2)OCO3 5045812 WDSBEFNHNUOXFU-GFCCVEGCSA-N 310.305 3.057 0 40 DGAB O=C(CCc1nc(-c2ccccc2)no1)Nc1ccccc1F 5563106 SAXNUFOVHZEJNZ-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB COc1cccc(C(=O)O[C@H](C)C(=O)Nc2ccc(F)cc2)c1 6486783 IXZISWICNFSYLD-LLVKDONJSA-N 317.316 3.018 0 40 DGAB CCSc1nnc(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)s1 7264361 YXRXCAMJAAAFHN-UHFFFAOYSA-N 324.431 3.050 0 40 DGAB CCCn1c(C)cc(C(=O)Cn2nnc(-c3ccccc3)n2)c1C 7736117 KPNFPGHDIZDSSN-UHFFFAOYSA-N 323.400 3.051 0 40 DGAB O=C(CCCn1c(=O)oc2ccccc21)Nc1cccc(F)c1 8287646 CWBCBGSXJAQJQA-UHFFFAOYSA-N 314.316 3.153 0 40 DGAB CCOC(=O)C1=C(C)Nc2ncnn2[C@H]1/C(C)=C/c1ccccc1 8843552 AORYYZDNYFJXBV-TYZQSYOASA-N 324.384 3.185 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc3c(c2)CCC3)c1 9300669 KZZVLJORYKDFIN-UHFFFAOYSA-N 322.408 3.242 0 40 DGAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccccc1Cl 9691530 KKSDQQXBAIPEGR-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)c1ccccc1 9871545 PVABBGNFDYSIOD-SNVBAGLBSA-N 303.745 3.350 0 40 DGAB COc1ccccc1CC(=O)N1CCc2[nH]c3ccccc3c2C1 9901014 SJSDTWXRSROQFB-UHFFFAOYSA-N 320.392 3.304 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccccc23)c(F)c1 9914263 VIZCKFFVVUQAMN-UHFFFAOYSA-N 312.344 3.288 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)N1CCCc2ccccc21 10449627 MACJIJMIVBEYCV-UHFFFAOYSA-N 305.374 3.108 0 40 DGAB CCc1ccccc1NC(=O)CCCNC(=O)c1cccs1 12885919 NQEREPXZXXEBJO-UHFFFAOYSA-N 316.426 3.459 0 40 DGAB Cc1ccccc1NC(=O)COc1cccc(N2CCCC2=O)c1 12927952 SMDFQANFDBZWGO-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB COc1ccccc1NC(=S)Nc1ccc2c(c1)OCO2 13790123 QWUMSXXKHXKKEO-UHFFFAOYSA-N 302.355 3.233 0 40 DGAB Cc1ccc([C@@H](NC(=O)c2cnccn2)c2ccccc2)cc1 14095793 HWEBEBSDXRZTHG-SFHVURJKSA-N 303.365 3.304 0 40 DGAB CCOCCCNC(=O)[C@H](C)Oc1cc(C)c(Cl)c(C)c1 14396918 AXCTZSQDDYTHAN-ZDUSSCGKSA-N 313.825 3.267 0 40 DGAB Cc1ccc(NC(=O)N[C@@H](C)c2ccc(-n3cncn3)cc2)cc1 18174077 MHRYKIZWEJIGTO-AWEZNQCLSA-N 321.384 3.458 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H](C)Oc1cccc(OC)c1 20450117 QWHMEOYTSYULPL-CYBMUJFWSA-N 315.369 3.500 0 40 DGAB CCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2ccccc21 22234386 XKCJGCVEFADAQM-UHFFFAOYSA-N 310.328 3.413 0 40 DGAB O=C(NCC1CCN(Cc2ccco2)CC1)c1cccc(F)c1 23016626 FARNOBQZCOAXRF-UHFFFAOYSA-N 316.376 3.061 0 40 DGAB Cc1ccc(NC(=O)CSCC(=O)N2CCCC[C@@H]2C)cc1 23977976 RYNPNVJHPRDXEO-AWEZNQCLSA-N 320.458 3.068 0 40 DGAB CC(=O)Nc1nc(CN(C)Cc2cccc(Cl)c2)cs1 24812088 QWZKXRKWPWDDBI-UHFFFAOYSA-N 309.822 3.387 0 40 DGAB C[C@@H](c1ccccc1)N(C)C(=O)[C@@H]1CC(=O)N(C)c2ccccc21 25617593 FUIBCWKLISYRDU-WMLDXEAASA-N 322.408 3.356 0 40 DGAB Cc1cc(C)cc(Oc2nc3c(C)cccn3c(=O)c2C=O)c1 27021847 HSKKESQMNVYUQD-UHFFFAOYSA-N 308.337 3.225 0 40 DGAB COc1ccc(-c2nc(CCNC(=O)C(C)C)cs2)cc1 27994548 GLIVCJPIHJEGSE-UHFFFAOYSA-N 304.415 3.133 0 40 DGAB Cc1cc(C)cc(-n2ccnc2S[C@H]2CCCCNC2=O)c1 28943559 GMAUYYGHKJEHJL-HNNXBMFYSA-N 315.442 3.250 0 40 DGAB Cc1ccc(CNC(=O)CCCc2nc(C(C)(C)C)no2)cc1 32922791 PCIVXTCHGGSCAW-UHFFFAOYSA-N 315.417 3.315 0 40 DGAB O=C(CNc1cc(F)ccc1F)NCCCc1ccccc1 40007958 SVWWYIWYMCSTBR-UHFFFAOYSA-N 304.340 3.126 0 40 DGAB COC(=O)c1ccc(Cn2c(C)cc(=O)c3cc(C)ccc32)o1 40175721 CXYCEISBNCXYQB-UHFFFAOYSA-N 311.337 3.046 0 40 DGAB O=C(Cc1cccc2cccnc12)N(Cc1ccncc1)C1CC1 42391018 SFEJGWPILWERQN-UHFFFAOYSA-N 317.392 3.364 0 40 DGAB O=C(NCc1csc(Br)c1)Nc1ccncc1 47042508 YAYBGCYFVWMODT-UHFFFAOYSA-N 312.192 3.227 0 40 DGAB CCSc1cc(C(=O)N2CCC[C@@H]2c2cc(C)no2)ccn1 53088741 RQRORVZRVKCVKF-CYBMUJFWSA-N 317.414 3.467 0 40 DGAB NNc1nc2c([C@H](O)c3ccccc3)cc(Cl)cc2s1 57327688 CYXQEDRAOUCZNC-CYBMUJFWSA-N 305.790 3.317 0 40 DGAB COc1nc(C(=O)N(C)CCC(F)(F)F)cc2ccccc12 58292874 MHWOFAJYMUZXAN-UHFFFAOYSA-N 312.291 3.268 0 40 DGAB C[C@@H](CCNC(=O)Cc1cn2ccsc2n1)c1ccccc1 58331726 RLRXMSXRUFHHOZ-ZDUSSCGKSA-N 313.426 3.248 0 40 DGAB c1ccc(COc2ccc(CNCCN3CCCC3)cc2)cc1 60844455 HTNATGXIZIIXJD-UHFFFAOYSA-N 310.441 3.451 0 40 DGAB CN(C(=O)CN1CCC[C@H]1Cc1cccc2ccccc12)C1CC1 61040070 WXBYSOYUAOWFEO-IBGZPJMESA-N 322.452 3.468 0 40 DGAB COC(=O)C[C@H]1CN(C(=O)c2ccc(C)cc2)c2ccccc21 61997418 YCRRDTLPLPBACE-HNNXBMFYSA-N 309.365 3.302 0 40 DGAB CC[C@](C)(O)CNC(=O)Nc1ccc(C)cc1Br 65590925 FTCXLYBXIXZCHZ-ZDUSSCGKSA-N 315.211 3.040 0 40 DGAB CCOc1ccc(NC(=O)N2CC[C@@H](N3CCCC3)C2)cc1C 66161147 JBKVLIBQLNCLEU-MRXNPFEDSA-N 317.433 3.096 0 40 DGAB CCN(CC)CCNC(=O)[C@H](C)c1ccc(CC(C)C)cc1 66199037 RTBVIZYDVQWAHS-MRXNPFEDSA-N 304.478 3.447 0 40 DGAB O=C(c1csc2c1CCCC2)N1CCC[C@@H](n2cccn2)C1 69417244 QSCJHOBWXHSASN-CYBMUJFWSA-N 315.442 3.301 0 40 DGAB O=C(Cc1cn2ccsc2n1)NCc1ccc(F)c(Cl)c1 69488191 UTVGOJJGIKCIRN-UHFFFAOYSA-N 323.780 3.047 0 40 DGAB Cc1c(NC(=O)NCCc2ccccn2)cccc1OC(F)F 69809737 IUMMRFPDIWNSSY-UHFFFAOYSA-N 321.327 3.356 0 40 DGAB Cc1cccc(C(=O)N2CCCN([C@H](C)c3ccncc3)CC2)c1 71896957 QPMKSXIFOSFHMA-QGZVFWFLSA-N 323.440 3.299 0 40 DGAB Cc1[nH]c2c(Cl)cccc2c(=O)c1I 72207192 UGMYDCUIXTZARC-UHFFFAOYSA-N 319.529 3.095 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)C2(c3ccccc3)CCOCC2)C1 72265169 GJDARROLDGSYMQ-HOTGVXAUSA-N 301.430 3.239 0 40 DGAB COc1cc(C(=O)NCc2cccc(C)c2)nc2ccccc12 72329599 CJGZCERLEYBZNM-UHFFFAOYSA-N 306.365 3.482 0 40 DGAB Cc1nc(Nc2ncccn2)cc(C2CN(C3CCCCC3)C2)n1 72382606 GFVHJYZWDVLTIQ-UHFFFAOYSA-N 324.432 3.051 0 40 DGAB CCc1c(C)nc2cc(-c3ccco3)nn2c1N[C@@H](C)COC 72396855 HCOKFVPDAQUDOM-NSHDSACASA-N 314.389 3.307 0 40 DGAB COc1cc(C(=O)O)ccc1OC[C@@H]1CCCN2CCCC[C@H]12 72410711 BMRFOHGAXKJZNT-LSDHHAIUSA-N 319.401 3.037 0 40 DGAB CCSC[C@H](C)N(C)Cc1nnc(-c2ccc(F)cc2)o1 72902833 JTTBKDKJIKWTGH-NSHDSACASA-N 309.410 3.449 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)c1nccn2ccnc12 73999740 ODDYQEBJRTUFTO-UHFFFAOYSA-N 324.384 3.215 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 75130355 JRQHHTXAWPDKPY-KRWDZBQOSA-N 322.412 3.496 0 40 DGAB COc1cccc(CC(=O)N[C@H](c2ncccc2C)C(C)C)c1 79358188 CZYXZMHYVRORLS-SFHVURJKSA-N 312.413 3.455 0 40 DGAB CC(C)(C)C(=O)Nc1cccc(C[S@](=O)C2CCOCC2)c1 79361250 ZIGDOLAZPMMWKS-JOCHJYFZSA-N 323.458 3.099 0 40 DGAB CCc1cnc(CCNC(=O)N2CC[C@H]3CCCC[C@H]32)s1 80532624 JFGPWYLPVOZDSN-TZMCWYRMSA-N 307.463 3.222 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)N(C)Cc1nc2ccccc2o1 84022956 HIWWCCBUDSCQEA-SNVBAGLBSA-N 313.357 3.195 0 40 DGAB COCCOc1ccc(C(=O)N(C)[C@H](C)c2ccco2)cc1 84661184 PWAPULXWCZTEGV-CYBMUJFWSA-N 303.358 3.138 0 40 DGAB COCCOc1ccc(CN[C@H]2CCc3ccc(C)cc32)cn1 89657352 SFBHCNXJASMJBC-SFHVURJKSA-N 312.413 3.192 0 40 DGAB CC(=O)NC(C)(C)c1noc([C@H](C)OC2CCCCCC2)n1 89913626 XEGQUEBSZZISDV-NSHDSACASA-N 309.410 3.241 0 40 DGAB CC[C@@H]1CN(C(C)=O)CC[C@@H]1NCc1ccc(Cl)c(F)c1 89948881 RMFOJBAZBPVBBZ-CJNGLKHVSA-N 312.816 3.216 0 40 DGAB NC(=O)C[C@H]1CCCN(Cc2ccccc2OC2CCCC2)C1 93808495 OXGIQEYQSYPNBD-OAHLLOKOSA-N 316.445 3.095 0 40 DGAB NC(=O)C1CCC(CNCc2cc3ccccc3s2)CC1 95412281 XHLWRIGXGGUOSV-UHFFFAOYSA-N 302.443 3.283 0 40 DGAB CC[C@H](NCCc1ccc2c(c1)OCO2)c1c(C)nn(C)c1C 95419495 VTTURUCFFDCNND-HNNXBMFYSA-N 315.417 3.049 0 40 DGAB C[C@H]1OCC[C@H]1NC(=O)C1(Sc2ccccc2)CCCC1 95449900 RYSIOUXTBIQNHJ-UKRRQHHQSA-N 305.443 3.385 0 40 DGAB Cc1c[nH]cc1C(=O)N[C@@H](c1ccc(F)cc1)[C@H]1CCCO1 95954385 NVNDZUMRPJFFHN-CVEARBPZSA-N 302.349 3.112 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 95961564 JZGDNWFTMGWTLJ-HNNXBMFYSA-N 308.337 3.114 0 40 DGAB CCc1n[nH]c(SCC(=O)c2cc(C)c(F)cc2Cl)n1 96471935 ZNAZBCIYQFYIDW-UHFFFAOYSA-N 313.785 3.443 0 40 DGAB O=C(Nc1ccc(Oc2cccc(F)c2)cc1)N1CC[C@@H](O)C1 96501779 RBMQOMKBJCMVAG-CQSZACIVSA-N 316.332 3.217 0 40 DGAB c1cc(Cn2cccn2)cc(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)c1 97037349 PDUZPVDOUQGIPU-KURKYZTESA-N 309.413 3.301 0 40 DGAB CN(CCc1ccncc1)Cc1csc([C@@H]2CCCO2)n1 97051152 UCSVOXJLVWAFLD-HNNXBMFYSA-N 303.431 3.064 0 40 DGAB COc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 105697386 NJYHWOBLBYTSOU-XJIUQZFPSA-N 303.402 3.015 0 40 DGAB C[C@@H](NC(=O)CN(C)[C@H](C)c1ccccn1)c1cccs1 110697229 VJBYOBUVBPPTJD-CHWSQXEVSA-N 303.431 3.013 0 40 DGAB CCOC(=O)Cc1csc(Nc2ccc(OC)cc2OC)n1 223448628 XIKVABIDPFPXGQ-UHFFFAOYSA-N 322.386 3.010 0 40 DGAB COc1ccc(NC(=O)CSc2ccc(N)cc2)cc1OC 226104826 GMUAIESIQHIBTJ-UHFFFAOYSA-N 318.398 3.017 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCC[C@H]1c1ccncn1 257221185 DNVXDHNKSPJQQU-KRWDZBQOSA-N 304.353 3.002 0 40 DGAB O=C(c1cccs1)N1CCCC[C@@H]1c1ccn2nccc2n1 257293753 QRAROUKJRUTXGR-CYBMUJFWSA-N 312.398 3.158 0 40 DGAB O=C(COc1cccc(F)c1)N1CCC[C@@H](c2nccs2)C1 257322564 WGMRBVDSVUXGRA-GFCCVEGCSA-N 320.389 3.067 0 40 DGAB CN1CC[C@H]2CC[C@H](C1)N2C(=O)c1csc2ccccc12 521394303 INAWMXWEOODQEW-CHWSQXEVSA-N 300.427 3.210 0 40 DGAB C[C@@H]1O[C@H](C)[C@H](Nc2nc(-c3cccnc3)nc3c2CCC3)[C@@H]1C 528204023 FXIPULDZLYODFZ-IPJQOSJUSA-N 324.428 3.251 0 40 DGAB O=C(Nc1ccccn1)[C@H]1CC(c2cccc(Cl)c2F)=NO1 1523002793 SKEHJBXUQBFROM-GFCCVEGCSA-N 319.723 3.006 0 40 DGAB Cc1ccccc1C(=O)NC(=S)Nc1cccnc1Cl 248630 GWBFCLCNPMJOFI-UHFFFAOYSA-N 305.790 3.170 0 40 DGAB O=C1OC(c2ccco2)=N/C1=C/c1ccc(Br)cc1 365271 FWYKTXOAPXJHSB-DHZHZOJOSA-N 318.126 3.387 0 40 DGAB COc1ccc(C(C)(C)C)cc1S(=O)(=O)NCc1ccco1 384673 ICYFJUQAGKOOFF-UHFFFAOYSA-N 323.414 3.064 0 40 DGAB O=C(Nc1ccc2oc(=O)ccc2c1)c1cccnc1Cl 567073 KYQDSJSKQJHMPC-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB COc1ccccc1NC(=S)NC(=O)/C=C/c1cccs1 1004111 AIVNUZDDYJXHBQ-CMDGGOBGSA-N 318.423 3.283 0 40 DGAB C[C@@H]1CCc2c(sc3ncnc(NC[C@@H]4CCCO4)c23)C1 1972849 POHPARJKILSJOV-MNOVXSKESA-N 303.431 3.407 0 40 DGAB COc1ccc2c(c1)OC(=O)C[C@H]2c1ccc(OC)c(OC)c1 2036519 MISQGXCETOHBAR-AWEZNQCLSA-N 314.337 3.153 0 40 DGAB CC(C)=CC(=O)OCC(=O)Nc1ccc(SC(F)F)cc1 2631397 DJLGIISFYWHURL-UHFFFAOYSA-N 315.341 3.449 0 40 DGAB COc1ccc(NC(=O)CSc2nc(C)cs2)c(OC)c1 3413612 OJCQYLILJADPIG-UHFFFAOYSA-N 324.427 3.200 0 40 DGAB COc1ccc(Nc2ncnc3cc(OC)c(OC)cc23)cc1 3815316 AHZHKZBDSLBFFP-UHFFFAOYSA-N 311.341 3.399 0 40 DGAB CC[C@@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4551344 LNNBPMUBGBNZAL-TVNQGELYSA-N 307.371 3.236 0 40 DGAB Cc1csc(SCC(=O)c2ccc3c(c2)OCCO3)n1 5101408 ANTOUIJSFRDSCH-UHFFFAOYSA-N 307.396 3.198 0 40 DGAB CCn1c(=O)c(C(=O)Nc2c(C)cccc2C)cc2cccnc21 5304077 BFRZJFONXRPKCJ-UHFFFAOYSA-N 321.380 3.286 0 40 DGAB COc1ccccc1[C@@H]1CC(c2cc3ccccc3oc2=O)=NN1 5362002 LQRRQOGFUQNNTI-HNNXBMFYSA-N 320.348 3.240 0 40 DGAB CCN(CC)[C@H](C)C(=O)NCC1(c2ccccc2)CCCC1 5591638 JIBDQUYVHSTHGS-MRXNPFEDSA-N 302.462 3.345 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)c2cccs2)c1 5635979 UOBCIGUGYZJYFE-LLVKDONJSA-N 317.366 3.135 0 40 DGAB CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1ccccc1 6226088 FUXWKCCCENURIN-UHFFFAOYSA-N 312.398 3.268 0 40 DGAB CC1=C(C(=O)OC(C)C)[C@H](c2cccc(Cl)c2)NC(=S)N1 6755161 WBMJISDFLKSMBP-ZDUSSCGKSA-N 324.833 3.084 0 40 DGAB COc1cc(C)c(NCC(=O)Nc2ccccc2)cc1OC 7989188 RTKVJAPSMFSEBK-UHFFFAOYSA-N 300.358 3.063 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)[C@@H]1COc2ccccc2C1 8114066 AJDQYYOTCMLRLL-WMZOPIPTSA-N 307.393 3.432 0 40 DGAB CCc1cc2c(SCC(=O)N[C@@H](C)CC)ncnc2s1 8428886 FBWSYNCRIXHWRN-VIFPVBQESA-N 309.460 3.261 0 40 DGAB CCOC(=O)/C=C/c1ccc(NC(=O)c2c(C)noc2C)cc1 9154348 KWBCZLMRWQWVFF-JXMROGBWSA-N 314.341 3.120 0 40 DGAB COC(=O)[C@H](Sc1nc(C)c(C)c(C)n1)c1ccccc1 9450851 HSVRRDIXNQMIBQ-CQSZACIVSA-N 302.399 3.408 0 40 DGAB CC(=O)N1CCC[C@@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 10027018 VOXOENXDNXFLSY-CQSZACIVSA-N 302.418 3.181 0 40 DGAB COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCCCCC1 12291781 SCRCXOVHSOFNIS-UHFFFAOYSA-N 317.838 3.222 0 40 DGAB O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1n[nH]c2ccccc12 12535264 IKHGUVNSNGRTAU-UHFFFAOYSA-N 317.251 3.137 0 40 DGAB Cc1nc(NC(=O)C2CCC2)sc1-c1nccn1C(F)F 12734613 MSLQBNOGOYCQGR-UHFFFAOYSA-N 312.345 3.449 0 40 DGAB O=C(O)/C=C/c1ccc(NC(=O)Cc2c[nH]c3ccccc23)cc1 12993155 CAIAEYHFMIRIGO-JXMROGBWSA-N 320.348 3.447 0 40 DGAB Cc1ccc(CNC(=O)c2cc(Br)c[nH]2)cc1F 14184034 SUADZTHPANMXKJ-UHFFFAOYSA-N 311.154 3.155 0 40 DGAB O=C(CCC1CCCC1)Nn1cnc2ccc(Cl)cc2c1=O 14201197 SJMPNSFGECZNSC-UHFFFAOYSA-N 319.792 3.090 0 40 DGAB C[C@H](NC(=O)[C@H](C)N1CCc2ccccc2C1)c1ccccc1 15480254 YYFDTTFFJBOZHK-HOTGVXAUSA-N 308.425 3.311 0 40 DGAB COc1cc(CNC[C@H]2OCCc3ccccc32)cc(OC)c1 19703078 SQZSGELVDMKNLT-LJQANCHMSA-N 313.397 3.107 0 40 DGAB biogenic Cc1cccc(C(=O)N[C@H](NC(C)C)C(Cl)(Cl)Cl)c1 19912857 XLKYBRAFFLMARW-LBPRGKRZSA-N 323.651 3.419 0 40 DGAB Cc1noc(C)c1C(=O)OCC(=O)c1oc2ccccc2c1C 23590714 KGZSERFEHKNCAW-UHFFFAOYSA-N 313.309 3.386 0 40 DGAB CC(=O)NCc1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 24027273 PFUWNBZAZOGJFZ-IBGZPJMESA-N 322.408 3.204 0 40 DGAB O=C(c1ccc(-c2ccccc2Cl)o1)N1CCC[C@@H](O)C1 26241608 MRNGXRYDUDBIDH-LLVKDONJSA-N 305.761 3.197 0 40 DGAB Cc1nn(-c2ccc(NC(=O)[C@H]3CCCO3)cc2)c(C)c1Cl 28242598 QHEXMRBPZFYTLR-CQSZACIVSA-N 319.792 3.260 0 40 DGAB O=S(=O)(Nc1cc(F)cc(F)c1)c1ccc(Cl)s1 28794346 JAFZXWGMBBVLBN-UHFFFAOYSA-N 309.746 3.481 0 40 DGAB CC(=O)c1ccccc1NC(=O)CN(C)[C@H]1CCc2ccccc21 29484227 QQZXUOJYSAOKDM-IBGZPJMESA-N 322.408 3.447 0 40 DGAB CN(C)Cc1ccccc1NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 31231700 VNYAXCSLAAGEPK-MZBDJJRSSA-N 314.429 3.082 0 40 DGAB Cc1ccccc1C(=O)NCCCN1CCc2ccccc2C1 32398883 ZGQAQGJZIJPFPU-UHFFFAOYSA-N 308.425 3.173 0 40 DGAB CN(C)c1ncccc1CNC(=O)c1cc2c(s1)CCCC2 32685539 FXJOHNCZOVGLMM-UHFFFAOYSA-N 315.442 3.018 0 40 DGAB COc1ccc2cc(C(=O)NCCc3cccs3)[nH]c2c1 32759812 PBYJAVJEROCZRJ-UHFFFAOYSA-N 300.383 3.211 0 40 DGAB Cc1nc(COc2ccccc2/C=C/C(=O)N2CCC2)cs1 32817916 AFFIPKVOMKXVGS-BQYQJAHWSA-N 314.410 3.276 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)CCc1nc(-c2ccccn2)no1 32951558 FZCNFEWGTXRUDU-CYBMUJFWSA-N 316.405 3.005 0 40 DGAB C[C@H](CNC(=O)CSC(C)(C)C)N1CCc2ccccc21 33055986 JOMVSRPXUWMKTP-CYBMUJFWSA-N 306.475 3.086 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)CCc2nnc(-c3ccsc3)o2)C1 33185058 GXJYXYMBBVXDOQ-YPMHNXCESA-N 319.430 3.426 0 40 DGAB CSCC[C@H](N)c1nc2cc(Br)ccc2[nH]1 37441186 AADWMJJEQWQGQK-QMMMGPOBSA-N 300.225 3.078 0 40 DGAB CC(C)Cc1ccc(C(=O)O)cc1I 39951748 JLFFWJFGLZFAKV-UHFFFAOYSA-N 304.127 3.188 0 40 DGAB CCCCN1CCN(C(=O)c2ccccc2C(F)(F)F)CC1 40119901 DCVDULCNFNAUFS-UHFFFAOYSA-N 314.351 3.263 0 40 DGAB CN(C)c1ccc(N)cc1C(=O)Nc1ccc(F)c(Cl)c1 40302083 XXWOQPZBWNCORX-UHFFFAOYSA-N 307.756 3.380 0 40 DGAB Cc1occc1C(=O)N1CCC(c2nc(CC(C)C)no2)CC1 41123115 PAGWUQIJKCAGMB-UHFFFAOYSA-N 317.389 3.189 0 40 DGAB O=C(CSc1nccn1C1CC1)N1CCC[C@H]2CCCC[C@@H]21 42639467 PHOXKUGAPATIDJ-HIFRSBDPSA-N 319.474 3.491 0 40 DGAB Cc1cccc(C)c1NC(=O)C[C@H]1Nc2ccccc2NC1=O 44842045 IFILCLOJKXFVBR-OAHLLOKOSA-N 309.369 3.065 0 40 DGAB CNC(=O)c1cccc(Oc2ncnc3sc(C)c(C)c23)c1 44933837 AGRRHMFCYAJHHL-UHFFFAOYSA-N 313.382 3.460 0 40 DGAB CC1(C)Oc2ccc(NC(=O)c3cccs3)cc2NC1=O 46088469 DCLSKLRWXBDUFV-UHFFFAOYSA-N 302.355 3.110 0 40 DGAB C[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C1CC1 55214386 OADXXVNGTQSZLA-CYBMUJFWSA-N 301.411 3.430 0 40 DGAB Cc1nc(N2CCC[C@H](N(C)C)C2)c2c3c(sc2n1)CCC3 57838879 AJRBZKJJAHKZDM-LBPRGKRZSA-N 316.474 3.019 0 40 DGAB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3c(C)cc(C)cc32)cc1 58161661 RRBMGQBQAOKAOO-LJQANCHMSA-N 309.365 3.025 0 40 DGAB CC(=O)Nc1ccc(CNC2CCN(c3ccccc3)CC2)cc1 58216844 YZFMGZMEXWOPBZ-UHFFFAOYSA-N 323.440 3.404 0 40 DGAB Cn1ncc2c1CCC[C@H]2NC(=O)Nc1cnc2ccccc2c1 58308213 SODSCMWPRFZMPH-MRXNPFEDSA-N 321.384 3.167 0 40 DGAB Cc1c(Cl)cccc1NC(=O)NCc1ccccc1CO 58343286 RMQFECCBLXVRRZ-UHFFFAOYSA-N 304.777 3.462 0 40 DGAB O=C(NC1CCC2(CC1)OCCO2)c1sccc1C1CC1 58424848 PZJGQYSWOLTJDB-UHFFFAOYSA-N 307.415 3.041 0 40 DGAB CCCCc1noc([C@H](C)S(=O)(=O)Cc2cccc(C)c2)n1 58622653 MYIRJKAKVHAISD-ZDUSSCGKSA-N 322.430 3.397 0 40 DGAB CC(=O)SCC(=O)Nc1nc(-c2ccccc2)c(C)s1 59320060 YBKGAGFVVSOPID-UHFFFAOYSA-N 306.412 3.337 0 40 DGAB O=C(Nc1ccc2nc(C3CC3)sc2c1)c1ccc[n+]([O-])c1 64089813 AUQCZWNXFXTESZ-UHFFFAOYSA-N 311.366 3.059 0 40 DGAB COc1cccc(CCCNC(=O)Nc2cccc(OC)c2)c1 67013204 CTTWKUJQGXBGBB-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB Cc1ccc(F)c(C(=O)N2CCC[C@@H]2CN2CCCCC2)c1 68132047 SMPPSCXKGSJKIE-OAHLLOKOSA-N 304.409 3.225 0 40 DGAB COCCOc1cccc(C(=O)N(C2CCCC2)C2CC2)c1 69531316 BYMHIKAIQWIPLT-UHFFFAOYSA-N 303.402 3.259 0 40 DGAB O=C(NCc1nc(C2CC2)no1)N1CCC2(CCCCC2)CC1 69704652 SCCASURCKGUALG-UHFFFAOYSA-N 318.421 3.203 0 40 DGAB CC(C)n1cc(CCCC(=O)Nc2nc[nH]n2)c2ccccc21 72404105 PGUDHOGWYZLTOS-UHFFFAOYSA-N 311.389 3.302 0 40 DGAB CN(C(=O)N[C@H](CN1CCCC1)c1ccccc1)C1CCC1 73666414 FOICBRWNSWFZHX-QGZVFWFLSA-N 301.434 3.017 0 40 DGAB C[C@H](Nc1ccncc1NC(=O)c1ccsc1)[C@H]1CCCO1 75141630 BAFWQDYIKFDVEC-XHDPSFHLSA-N 317.414 3.375 0 40 DGAB C[C@@H]1CC[C@H](CCC(=O)NC2(c3nccs3)CCCC2)O1 75200683 HNVHGPHFCJYLQF-CHWSQXEVSA-N 308.447 3.376 0 40 DGAB O=C(Nc1c[nH]ccc1=O)[C@H]1C[C@@H]1c1ccccc1C(F)(F)F 84502209 OMAUSDXSWSWNNH-MNOVXSKESA-N 322.286 3.136 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)NCCCn1cccn1 95419844 SXZXLILGPWMQTF-CYBMUJFWSA-N 300.431 3.104 0 40 DGAB Cc1cc(Oc2ccc(NC(=O)c3oc(C)nc3C)cc2)n[nH]1 95427181 OCAITIQUPQUMBI-UHFFFAOYSA-N 312.329 3.368 0 40 DGAB Cc1ccc(NCc2ccccc2Br)cc1C(N)=O 95429027 YAENWLVGEAUQAJ-UHFFFAOYSA-N 319.202 3.469 0 40 DGAB CC(C)c1nc2cc(NC(=O)c3[nH]nc4c3CCC4)ccc2n1C 95478797 QNHHGIRTFWERFT-UHFFFAOYSA-N 323.400 3.161 0 40 DGAB O=C(Nc1ccc(OCC2CCCCC2)cc1)N1CC[C@@H](O)C1 95964841 LSVLZIFJAJSTKM-MRXNPFEDSA-N 318.417 3.244 0 40 DGAB Cc1csc([C@@H](NC(=O)c2cccc(C(=O)O)c2)C2CC2)n1 95976726 VCHVXHIWYJBJHX-ZDUSSCGKSA-N 316.382 3.031 0 40 DGAB CO[C@@H]1[C@H](C)[C@H](NCc2nc3ccc(Cl)cc3n2C)C1(C)C 95989223 OTTKKFMDDJIDBM-HPEXNQPKSA-N 321.852 3.376 0 40 DGAB CCC[C@@H]1CCc2ccccc2N1Cc1nc(COC)no1 95992548 PKUMYSZTPJUNDB-CQSZACIVSA-N 301.390 3.338 0 40 DGAB CC1CCN(c2cccc(NC(=O)NC[C@@H](C)CCO)c2)CC1 96435105 XVGMBIMIMKSKDV-HNNXBMFYSA-N 319.449 3.063 0 40 DGAB Cc1cc(C(=O)NC[C@@](C)(O)c2ccsc2)c(C)n1C1CC1 96450385 AWLKSFQYNCZPKN-QGZVFWFLSA-N 318.442 3.139 0 40 DGAB CCc1ccsc1CNC(=O)N[C@@H]1CCO[C@@H](C2CC2)C1 97378465 ZCXGTFJWRRBMDT-ZIAGYGMSSA-N 308.447 3.067 0 40 DGAB Sc1nnc2c3ccccc3nc-2n1CCc1ccccc1 100433852 GPEMFZANPBJIEF-UHFFFAOYSA-N 306.394 3.463 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)NCc1ccc(F)cc1)CC2=O 100931858 LRUWSXPCOBBAIV-ROUUACIJSA-N 303.377 3.227 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)NCc1ccncc1 130248588 OCZSZMDVOUFEJY-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB CC(C)(C)[C@H](NC(=O)[C@H]1CC12CCNCC2)c1ccc(F)cc1 195530203 VOHWKXDHOGYRFR-HZPDHXFCSA-N 318.436 3.419 0 40 DGAB C[C@@H](CN1CCC(OC[C@H]2CCOC2)CC1)c1ccc(F)cc1 195573458 JDEQKWVWWXOPSE-HOTGVXAUSA-N 321.436 3.447 0 40 DGAB CN(Cc1ccc(F)cc1Br)C(=O)c1ccncc1 195580136 JJCUIRSEPNKBDI-UHFFFAOYSA-N 323.165 3.255 0 40 DGAB COc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 224073345 UOKVAMYHHWWGJP-ZHALLVOQSA-N 312.457 3.025 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc(OC)c(F)c2)cc1 225390740 YZBQHGJEDSGVBC-NSHDSACASA-N 303.333 3.334 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1ccc(O[C@H]2CCOC2)nc1 225708407 VGZKJWWZPYYXDF-AWEZNQCLSA-N 318.760 3.155 0 40 DGAB CC[C@@H](C)NC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227166971 AIOWDISQNUQDHV-CYBMUJFWSA-N 303.381 3.384 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccccc2F)C1 228908695 MAFLORYDVGGCKK-ZDUSSCGKSA-N 307.365 3.194 0 40 DGAB CN(C(=O)/C=C/c1cccc(F)c1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C 255961033 OLMKBFCEYDUCLB-BTRZDOGASA-N 303.377 3.111 0 40 DGAB CCN(C)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccccc1Cl 257220971 DNACEQWAEUPTBW-CJNGLKHVSA-N 322.836 3.118 0 40 DGAB CCCN(Cc1nc(C(=O)O)co1)[C@H]1CCc2ccccc2C1 574577762 FWHFHKCLIFQDCU-HNNXBMFYSA-N 314.385 3.142 0 40 DGAB O=C(NCc1cncc(-c2ccco2)c1)c1ccc2nc[nH]c2c1 575618849 QBFGXDZYIBNMQI-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB CC(C)[C@H](NCc1cc2c(O)cccc2s1)c1nncn1C 585136103 QFONYQOHDJCRLQ-HNNXBMFYSA-N 316.430 3.222 0 40 DGAB COc1cc(C)c(N[C@@H](C)Cn2cncn2)cc1C(F)(F)F 585139480 WQBHHZQUBOBNRQ-JTQLQIEISA-N 314.311 3.115 0 40 DGAB C[C@@H]1OCCC[C@@H]1C(=O)Nc1cc(Cl)c(Cl)cc1O 585140181 NSJARYOWCAPKSI-YUMQZZPRSA-N 304.173 3.453 0 40 DGAB COc1ccnc(N2CC(n3c(C(C)C)nc4ccccc43)C2)n1 1888885492 LOCSCLGREJCLRI-UHFFFAOYSA-N 323.400 3.020 0 40 DGAB Cc1ccc(C)c(NC(=O)c2ccc3nc(C4CC4)cn3n2)c1 1888904207 SNRIFFPWMVOMRT-UHFFFAOYSA-N 306.369 3.476 0 40 DGAB CCOC(=O)c1c(C)nsc1NC(=O)Oc1ccccc1 126360 POWRHLZGQFXYME-UHFFFAOYSA-N 306.343 3.239 0 40 DGAB Cc1nc(C2(NC(=O)Cc3ccccc3C)CCCCC2)no1 23508093 VVXOGWYCCGTJGT-UHFFFAOYSA-N 313.401 3.205 0 40 DGAB CCCN(Cc1ccccc1)C(=O)c1ccc(CNC(C)=O)cc1 24325332 SRUBYGMERQAEDO-UHFFFAOYSA-N 324.424 3.375 0 40 DGAB O[C@H]1c2ccccc2CC[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 1639146 XIRXXXXJQVXTQG-UWVGGRQHSA-N 314.225 3.138 0 40 DGAB Cn1nc(-c2nnc(-c3cccs3)o2)cc1C(F)(F)F 2803172 RDVJWNHTTGNHLQ-UHFFFAOYSA-N 300.265 3.217 0 40 DGAB Cc1ccc(C(=O)N(C)C)cc1NC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 106096936 DBLBFYMITJBUON-DZKIICNBSA-N 314.429 3.462 0 40 DGAB CCCN1C(=O)S/C(=C/c2cc([N+](=O)[O-])ccc2OC)C1=O 6656090 NRZLOIYRSSFYDU-XYOKQWHBSA-N 322.342 3.050 0 40 DGAB Cc1nnc(NC(=O)NCCCO[C@H](C)c2ccccc2)s1 43408774 GTCRSKRPLPKLBY-LLVKDONJSA-N 320.418 3.136 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@H]2CCC[C@H]21 56196237 NTGFUSYCIJHLEA-CABCVRRESA-N 304.777 3.215 0 40 DGAB COc1ccc(S(=O)(=O)N(Cc2ccccc2)C2CC2)cc1 23053318 SYNNCOAWXDXNBY-UHFFFAOYSA-N 317.410 3.049 0 40 DGAB COc1ccc(Cl)cc1C[S@](=O)Cc1nc(C)c(C)o1 97083587 UDRSXFUTUQOREQ-HXUWFJFHSA-N 313.806 3.402 0 40 DGAB O=C(Nc1nnc2ccccn12)c1ccc(F)c(C(F)(F)F)c1 58282780 ZMMLHPKXQKBZJZ-UHFFFAOYSA-N 324.237 3.140 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)CC[C@@H]2CCCO2)cc1C 58246184 WUBCJRJHZURHOR-CVEARBPZSA-N 305.418 3.146 0 40 DGAB CCCc1cc(-c2nn3c(-c4ccccc4)nnc3s2)n(C)n1 2182908 PXGXXKNEMFAIPQ-UHFFFAOYSA-N 324.413 3.206 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccccc2C)cc1C 55546830 ZWLMFYZNKBSTMW-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB Cc1cnc(NC(=O)CCc2nc(-c3ccsc3)no2)s1 10626211 URBCCKYCNSYRDM-UHFFFAOYSA-N 320.399 3.134 0 40 DGAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cc(F)cc2[nH]cnc12 72272033 QUMBSRQXOPMFEQ-UHFFFAOYSA-N 321.315 3.344 0 40 DGAB c1ccc(-c2cc(Cn3nnc(-c4cccs4)n3)no2)cc1 45471692 WXFLYOXQAHEOSZ-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H]2CCc3c(F)cccc32)cs1 72274789 UPYAKJVRNBFRFV-OAHLLOKOSA-N 319.405 3.420 0 40 DGAB Cc1noc(C)c1COC(=O)c1ccc(Br)cc1 3246716 JNQJEENLYBOZFV-UHFFFAOYSA-N 310.147 3.411 0 40 DGAB COc1ccc(/C=C/C(=O)OCC(=O)c2ccc(F)cc2)cc1 3242981 KRHBPNAAZCSJAW-NYYWCZLTSA-N 314.312 3.274 0 40 DGAB O=C(NC1CCCCCCC1)c1csc(-c2ncccn2)n1 47196270 MOMYTLRMVVRFGI-UHFFFAOYSA-N 316.430 3.443 0 40 DGAB CC(C)(C)[C@H]1CCc2onc(C(=O)NCc3ccco3)c2C1 2803667 XVZHTOPBPHBPNV-NSHDSACASA-N 302.374 3.349 0 40 DGAB Cc1ccc(C(=O)OCc2nc3ccccc3nc2C)cc1O 48254111 JZZHMJNTUOMSQG-UHFFFAOYSA-N 308.337 3.309 0 40 DGAB CCc1s/c(=N\C(=O)c2cccnc2)n(C)c1-c1ccccc1 10042568 QHFUENGGZFACII-ZZEZOPTASA-N 323.421 3.452 0 40 DGAB O=C(NCc1ccc(Cl)cc1)Nn1cnc2ccccc21 10260713 ZBKRLKIUQLIYEU-UHFFFAOYSA-N 300.749 3.143 0 40 DGAB O=c1[nH]c(CSc2ncnc3ccccc23)nc2ccccc12 3336038 VVDDYRFGMCZKDO-UHFFFAOYSA-N 320.377 3.159 0 40 DGAB Cc1csc([C@H](NC[C@@H](O)c2ccc(F)cc2)C2CC2)n1 97110107 MZAHVEOURSYXCT-HUUCEWRRSA-N 306.406 3.365 0 40 DGAB Cc1ccc([C@@H](Nc2ccc3nnnn3n2)c2cccs2)cc1 12894008 JKZDXTBZYPDFGO-MRXNPFEDSA-N 322.397 3.091 0 40 DGAB Cc1ccc(O)c(-c2cc(C(=O)NCc3ccccc3)[nH]n2)c1 13121830 XJJOWVAIIYDWKM-UHFFFAOYSA-N 307.353 3.021 0 40 DGAB CC(=O)Nc1nc2c(Oc3cc(Cl)ncn3)cccc2s1 63120273 NLFUYBYQDAFFAP-UHFFFAOYSA-N 320.761 3.490 0 40 DGAB O=C(O)C[C@H](NC(=O)Cc1ccccc1Cl)c1cccs1 13388127 QUYGEMJZTPFUSK-LBPRGKRZSA-N 323.801 3.276 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCNCc1c[nH]nc1-c1cccnc1 65458814 IEULIWPVPQGWJI-PBHICJAKSA-N 314.433 3.157 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3cc4ccccc4o3)cc2NC1=O 14180908 TZFRNSOWJVTNQJ-JTQLQIEISA-N 322.320 3.405 0 40 DGAB CCOc1ccc(C(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5440522 KGKBSUMVWVXOGV-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB Cc1nn(C)c(Oc2ccccc2)c1CCNC(=O)CC(C)C 6921003 GAWFIFAVYXSISC-UHFFFAOYSA-N 315.417 3.226 0 40 DGAB Cc1nn(C)c(C)c1/C=C/c1cc(C(=O)O)c2ccccc2n1 5938204 WSDYDSSDZGTASG-CMDGGOBGSA-N 307.353 3.454 0 40 DGAB O=C(OCc1nnc(-c2ccccc2)o1)c1cc(F)cc(F)c1 7032027 CDCGPDUZSMGDDV-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)Cc3cccc(O)c3)c2)cn1 96449963 WSOFGOHHPFOHTM-UHFFFAOYSA-N 322.368 3.051 0 40 DGAB CCn1ccc2cc(NC(=O)c3cnn4ccc(C)nc34)ccc21 68673469 PBVWIVOQOKGBKC-UHFFFAOYSA-N 319.368 3.265 0 40 DGAB O=C(c1cnn(-c2ccccc2)n1)N1CCC[C@H]1c1cccs1 7988289 QBSJEMDCGSHWCJ-HNNXBMFYSA-N 324.409 3.306 0 40 DGAB Cn1cc(CNc2nnc(-c3cccs3)o2)c(C(C)(C)C)n1 97375404 NIFCRCNAHYXDPT-UHFFFAOYSA-N 317.418 3.441 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1cccc(-c2cnco2)c1 69036458 WKUGOPMGPYFXJM-HNNXBMFYSA-N 315.373 3.374 0 40 DGAB c1ccc2[nH]c(C3CCN(Cc4nnc(C5CC5)o4)CC3)nc2c1 71892908 VZTMHOXEARWZCX-UHFFFAOYSA-N 323.400 3.203 0 40 DGAB c1ccc(-c2nc(CN3CCc4c(ncn4C4CC4)C3)co2)cc1 69453234 XMOLXQRYXUUXDF-UHFFFAOYSA-N 320.396 3.431 0 40 DGAB Cc1cccc(C(=O)N2c3ccccc3[C@H](C(N)=O)C[C@H]2C)c1C 69419800 QWUBMGZZCPSSRB-CXAGYDPISA-N 322.408 3.311 0 40 DGAB CC[C@H](O)CN(Cc1nnc(C2CCC2)o1)c1ccccc1 71910654 VVUBNVQFXNHGGB-HNNXBMFYSA-N 301.390 3.115 0 40 DGAB Cc1noc(C2CCN(C(=O)Nc3cc(F)cc(F)c3)CC2)n1 69698768 QTCBODKDVJUTMU-UHFFFAOYSA-N 322.315 3.068 0 40 DGAB C[C@@H]1CN(Cc2csc(-c3ncccn3)n2)c2ccccc2O1 69657391 FAUZAQMMFRJXES-GFCCVEGCSA-N 324.409 3.388 0 40 DGAB O=[S@@](CCNc1nc2ccccc2o1)c1ccccc1F 69770812 BBNBOQQIMHKIAU-OAQYLSRUSA-N 304.346 3.187 0 40 DGAB C[C@@H](Cc1cccs1)C(=O)N1CC[C@@H](O)c2ccccc2C1 95467308 KDEYQJMQDALDKW-SUMWQHHRSA-N 315.438 3.393 0 40 DGAB O=C(Nc1ccccc1)OC[C@@H]1CN(c2ccccc2)C(=O)O1 8716953 DABUYPXXIPFBLS-HNNXBMFYSA-N 312.325 3.261 0 40 DGAB COc1ccc(NC(=O)Nc2nnc(-c3ccco3)s2)cc1 8738385 IYAWRJFOYITISL-UHFFFAOYSA-N 316.342 3.451 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2c(C)n[nH]c2C(C)C)c1 95979929 MBZLXWWFLFVGHK-UHFFFAOYSA-N 315.373 3.271 0 40 DGAB Cc1nn(C)c(C)c1OCc1ncc(-c2cccc(F)c2)o1 89512348 NYLMVEUHVJFPFY-UHFFFAOYSA-N 301.321 3.410 0 40 DGAB COc1ccc(NC(=O)N2C[C@H](O)C[C@H]2C2CCCCC2)cc1 75139444 OKGAYMUNRZVWOL-WBVHZDCISA-N 318.417 3.243 0 40 DGAB Cc1ccc(N2C(=O)C[C@@H](Nc3ccc(Cl)cc3)C2=O)cc1 89633368 BLFFBFUHLMMIIF-OAHLLOKOSA-N 314.772 3.392 0 40 DGAB Cc1nn(C)cc1C(=O)N1CCCC[C@H]1CCc1ccccc1 89880080 YWIXUKZKZJHFGY-KRWDZBQOSA-N 311.429 3.356 0 40 DGAB O[C@@]1(C(F)(F)F)NN=C2/C(=C/c3ccccc3)CCCC[C@H]21 408563649 QWQLPPNAJNWOIE-LEJUKPKUSA-N 310.319 3.470 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)C(=O)NC1CCC(C(C)(C)C)CC1 408710362 ZJRBQQGGZIUXOW-LBDPXKHJSA-N 322.493 3.402 0 40 DGAB Cc1cc(CN(C)Cc2c(-c3ccccc3)nn(C)c2C)[nH]n1 36752914 SCKFKCFKFFCXTJ-UHFFFAOYSA-N 309.417 3.059 0 40 DGAB CC(C)n1cnnc1CNC(=O)/C=C/[C@@]1(C)CC[C@H](C)C1(C)C 521394820 BOWHDQBAHPGWLQ-XEOPVTEJSA-N 318.465 3.494 0 40 DGAB COC(=O)c1cc2c(=O)n([C@@H](C)c3ccccc3)ccc2nc1C 38784275 QMIZEYNKSIOMJU-ZDUSSCGKSA-N 322.364 3.101 0 40 DGAB CC(C)(NC(=O)Cc1ccc(O)cc1Cl)c1nccs1 182459031 WBQGZGKMFJZOBZ-UHFFFAOYSA-N 310.806 3.096 0 40 DGAB Cc1nc(NCc2ccccc2F)cc([C@@H]2CCCNC2)n1 72365043 ATZPHBPQHMYPRH-CQSZACIVSA-N 300.381 3.003 0 40 DGAB c1cncc(Oc2cncc([C@H]3CCCN(CC4CC4)C3)n2)c1 72383890 ADHAQEBGAHKRBY-HNNXBMFYSA-N 310.401 3.253 0 40 DGAB COc1ccc(CC[S@@](=O)Cc2c(F)cccc2F)cc1 195579429 MVTRICWVMISNEC-OAQYLSRUSA-N 310.365 3.465 0 40 DGAB CC1CCN(C(=O)CCn2ncc3c(Cl)cccc32)CC1 40759465 ZSAQWHBQCONVEA-UHFFFAOYSA-N 305.809 3.338 0 40 DGAB Nc1ccc(NCCc2ccccc2)c(C(=O)N2CCCC2)c1 225459565 OGKFEEVERQVVNP-UHFFFAOYSA-N 309.413 3.159 0 40 DGAB Cc1ccc2cnn(CCC(=O)NCc3ccccc3F)c2c1 40759195 PTNNOQLWPFKYHW-UHFFFAOYSA-N 311.360 3.190 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)c(C)c2)cc1C 224633916 PDCRLKDMCFUJJI-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB COc1ncccc1NC(=S)NCc1ccccc1Cl 223934015 PZOBWBJWHPEEBO-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB Cc1ccc2c(c1)c(=O)ccn2CC(=O)Nc1cccc(F)c1 225744415 PWMTWEWAXGVANN-UHFFFAOYSA-N 310.328 3.088 0 40 DGAB COc1ccccc1[C@H](C)NS(=O)(=O)Cc1ccccc1F 224611580 LMTGFFHJVUOHTA-LBPRGKRZSA-N 323.389 3.015 0 40 DGAB COc1ccc(CCNC(=O)[C@H](C)Nc2cccc(C)c2)cc1 48375334 UVWVJLONCQCFIB-HNNXBMFYSA-N 312.413 3.163 0 40 DGAB Cn1nnc(CN[C@H](CC(C)(C)C)c2ccc(Cl)cc2)n1 194289386 YHTQWZWJBXDHEJ-CYBMUJFWSA-N 307.829 3.131 0 40 DGAB Cc1ccccc1C(=O)NC(=S)Nc1ccc(N)cc1Cl 226238281 TUJFUMITGOEJJA-UHFFFAOYSA-N 319.817 3.357 0 40 DGAB Cc1cccc(C2=NN(C(=O)[C@@H]3CCCO3)[C@H](c3ccco3)C2)c1 95115889 FBRDIGGTFVJXQV-WMZOPIPTSA-N 324.380 3.445 0 40 DGAB CCN1CCN(Cc2nnc(C3CC3)n2C2CC2)c2ccccc21 97370348 IHPFDQYKPFIYBF-UHFFFAOYSA-N 323.444 3.337 0 40 DGAB O=C(CSc1ccccc1)Nc1cc(-c2ccncc2)no1 96183274 ONSRXVGTUWIOIU-UHFFFAOYSA-N 311.366 3.467 0 40 DGAB O=C1CC[C@@H](C(=O)N2CCCC[C@@H]2c2ccco2)n2cccc21 578292451 WBCSTFHBJNUCEH-CABCVRRESA-N 312.369 3.353 0 40 DGAB CCOCCCC(=O)N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 96414594 AUYQLTQCZPRENP-HNNXBMFYSA-N 321.392 3.064 0 40 DGAB CN1CC2(CCN(Cc3cccnc3)CC2)c2cccc(F)c21 96261777 ZJUYNVWTVHAINT-UHFFFAOYSA-N 311.404 3.204 0 40 DGAB O=C1CCC2(CCN(Cc3ccoc3)CC2)N1Cc1ccccc1 96049412 VFBHSKYGAVGGFY-UHFFFAOYSA-N 324.424 3.437 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(CC3=Cc4ccccc4OC3)C2)n1 257294685 QVGZCZLBYUPWNI-GOSISDBHSA-N 323.440 3.384 0 40 DGAB C[C@H](NC(=O)c1ccoc1C1CC1)c1nc(C(F)(F)F)no1 585123807 XCZHPVDHDCYQSC-LURJTMIESA-N 315.251 3.050 0 40 DGAB O=C(Nc1ccccc1F)[C@@H]1CCCN(Cc2ccccn2)C1 585135545 PSFRYFCZICLISU-CQSZACIVSA-N 313.376 3.071 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](NC(=O)NC[C@@H]2CCOC2(C)C)C1 661123438 OISCSRQONHVOKE-JYJNAYRXSA-N 316.445 3.355 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(CC3CC3)C[C@H]12 585109230 DHQKQYLHTNQPLX-OKZBNKHCSA-N 312.457 3.329 0 40 DGAB O=C(Nc1ccc(CNCc2cscn2)cc1)c1ccco1 60523488 SCTIHPXSLFZHNV-UHFFFAOYSA-N 313.382 3.278 0 40 DGAB CC(C)c1nc([C@@H]2CCCN2c2cnc3ccccc3n2)no1 75573024 ATRCZWWRYNOHRL-AWEZNQCLSA-N 309.373 3.478 0 40 DGAB CC(C)c1nc([C@H]2CCCN2Cc2ccn(C(C)C)n2)no1 76016845 ZHCJBIYNAURXIE-CQSZACIVSA-N 303.410 3.308 0 40 DGAB CCCCn1nc(-c2ccccc2Cl)cc(C(=O)O)c1=O 77064431 VPLZYRPTYCPEJS-UHFFFAOYSA-N 306.749 3.062 0 40 DGAB CCOc1ccc(/C=C2\N=C(c3cccc(OC)c3)OC2=O)cc1 176371 XIYNPJZZPWWNNM-BOPFTXTBSA-N 323.348 3.438 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@@H]2C(=O)O)cc1Cl 5547227 PQSQLOYLDOQRNY-QOBDMFJFSA-N 305.761 3.110 0 40 DGAB CCCCCOC(=O)O[C@H](C)C(=O)OCCOCCCC 5550519 IUZFZDRLEJETTP-CYBMUJFWSA-N 304.383 3.078 0 40 DGAB COc1ccc(C(=O)Sc2nc(C)cc(C)n2)cc1OC 5725053 HZAYXHIBIQYJTQ-UHFFFAOYSA-N 304.371 3.043 0 40 DGAB Cc1cccc(Cn2c(C)cc(=O)n3c4ccccc4nc23)c1 13636970 OLJJBXHHDZUREJ-UHFFFAOYSA-N 303.365 3.314 0 40 DGAB O=C(N[C@H](Cc1ccsc1)c1nccs1)C1CCOCC1 19406482 HOXZPGDZNGGRDN-CYBMUJFWSA-N 322.455 3.031 0 40 DGAB Cc1ccc(F)c(CN[C@H](CS(C)(=O)=O)c2ccccc2)c1 154955318 HBKNGUFRWLBJKG-QGZVFWFLSA-N 321.417 3.010 0 40 DGAB Cc1cnc([C@@H]2CCCN2C(=O)CCc2c[nH]c3ccccc23)[nH]1 1848352234 LGDVZEVPRSWIBQ-KRWDZBQOSA-N 322.412 3.496 0 40 DGAB Cn1c(SCc2nc3ccccc3o2)nnc1C(F)(F)F 6849200 ROQPNGVSNAPNFL-UHFFFAOYSA-N 314.292 3.267 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1cc(C2CC2)ncn1 1888857128 RQQJWHNMZISRGP-UHFFFAOYSA-N 303.749 3.268 0 40 DGAB COc1cccc(-c2cc3c(=O)n(CCC(C)C)ccn3n2)c1 1888913797 APHNIMUPNVGZFC-UHFFFAOYSA-N 311.385 3.218 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ncnc3sccc23)C1 1889139260 YYQCRFPPWQDLKL-GFCCVEGCSA-N 312.398 3.052 0 40 DGAB Cc1cc(C)n([C@H](CNC(=O)c2ccsc2)c2ccco2)n1 575613989 NKJZQEPAZHHQLI-CQSZACIVSA-N 315.398 3.174 0 40 DGAB CCN1CCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 76182081 BVWCIYJPSKJZMC-UHFFFAOYSA-N 314.360 3.226 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)[C@H]2CCCO2)cc1 30174694 VBPMGBOXPYMAMN-XJKSGUPXSA-N 314.385 3.099 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)c(F)c1 40526203 XQGCZSDATGRGIU-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB CCOc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C)cc1C 41095305 ZJVDCIWTUJAVQR-SWLSCSKDSA-N 311.447 3.251 0 40 DGAB COC(OC)[C@@H]1Nc2ccccc2C(=O)N1c1ccc(C)cc1 381893 VGHBDEDKSHELQC-MRXNPFEDSA-N 312.369 3.012 0 40 DGAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@@H]32)oc2c(F)cccc12 53381537 IOIUDSJYQYXTOG-KBPBESRZSA-N 303.333 3.274 0 40 DGAB c1ccc2c(NC[C@H]3CCOC3)nc(-c3ccncc3)nc2c1 42107355 VUQBHGDAKGEBKH-CYBMUJFWSA-N 306.369 3.140 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)NCCc2ccc(Cl)cc2)c1C 429453 COJMWWGGWLXBFS-UHFFFAOYSA-N 318.804 3.460 0 40 DGAB CCc1ccccc1NC(=O)[C@H]1CCCN(c2nccc(C)n2)C1 1358044 MBSXNOVOZXJLHZ-INIZCTEOSA-N 324.428 3.203 0 40 DGAB Cc1ccc(NC(=O)c2nnn(-c3ccccc3F)c2C)cc1 2713213 PGQYQGMNMOVQHM-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB O=C(CCC(=O)c1cccs1)OCC(=O)c1ccccc1F 3250056 JXQHWQYTXMYXRB-UHFFFAOYSA-N 320.341 3.276 0 40 DGAB Cc1sc2ncnc(OCC(=O)Nc3ccccc3)c2c1C 3409208 MGFISRWDFJSIQC-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB COc1ccc(-c2nnc(SC[C@@H]3CCCCO3)n2C)cc1 3569106 MLLMEFDIJHJLGY-AWEZNQCLSA-N 319.430 3.152 0 40 DGAB O=C(Nc1cccc(Cl)c1)Nc1ccc(C(=O)O)c(O)c1 4867045 UEJMPGNWOQBJJA-UHFFFAOYSA-N 306.705 3.388 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N2c3ccccc3C[C@H]2C)c1 5120464 PZCKQPMXISVSFM-CQSZACIVSA-N 301.411 3.443 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)NC2(CCC(C)CC2)C1=O 6080440 FVAWLIXYXDMIHC-UHFFFAOYSA-N 323.481 3.059 0 40 DGAB CCc1ccccc1NC(=O)CSc1nnc(C(C)C)o1 6710678 PWHNTOMEPIJFOI-UHFFFAOYSA-N 305.403 3.486 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccccc2)c1C 7549726 HIRQQVAZTRQTFL-ZDUSSCGKSA-N 313.353 3.262 0 40 DGAB S=c1[nH]nc(-c2ccncc2)n1NCc1ccc(Cl)cc1 7601775 QWYHHMCXQCMIDD-UHFFFAOYSA-N 317.805 3.400 0 40 DGAB Cc1cccc(N[C@@H]2CC(=O)N(c3ccccc3Cl)C2=O)c1 7779710 GZQNBKOXSMMHFD-CQSZACIVSA-N 314.772 3.392 0 40 DGAB O=C(c1ccccc1F)N1CCN(c2ccccc2Cl)CC1 7955574 JWLOPXVKHARRJC-UHFFFAOYSA-N 318.779 3.442 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccccc3[nH]2)C1 8652086 FOEGDHYTZDPXRK-VXGBXAGGSA-N 303.431 3.160 0 40 DGAB CCc1cc2c(=O)[nH]c(Cc3ccc(OC)cc3)nc2s1 8685513 YOJJLMUQMUVDFA-UHFFFAOYSA-N 300.383 3.146 0 40 DGAB COc1cccc(NC(=O)c2cc(Br)ccc2O)c1 11639300 SSZMGPOMBXQUEN-UHFFFAOYSA-N 322.158 3.416 0 40 DGAB O=C1O[C@@H](S[C@@H](Cc2ccccc2)C(=O)O)c2ccccc21 12274226 MJYYBSOPSYZNSJ-YOEHRIQHSA-N 314.362 3.285 0 40 DGAB O=C(NCCc1cccs1)c1ccc(C(F)(F)F)nc1 12775427 AZDABGUXCJMCSM-UHFFFAOYSA-N 300.305 3.134 0 40 DGAB Cc1cccc(C(=O)N[C@H](C)C(=O)OCc2ccccc2C)c1 12791037 FPFJEDNIFBINHW-OAHLLOKOSA-N 311.381 3.165 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1 12906310 CTLSGZCWIQEKQN-UHFFFAOYSA-N 308.381 3.394 0 40 DGAB Cc1c(Cl)cccc1NC(=O)CCNC(=O)c1ccsc1 12929001 AYFZZLPLKVDRCW-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB Cc1cccc(/C=C2\SC(=O)N(CN3CCCCC3)C2=O)c1 13573943 ZOFWZHBGTQVFBD-PTNGSMBKSA-N 316.426 3.475 0 40 DGAB CN(C(=O)Nc1ccccc1)[C@H]1CCc2ccccc2NC1=O 13733456 ZZPXGBVWZMJVSK-INIZCTEOSA-N 309.369 3.104 0 40 DGAB COC(=O)c1ccc(OCc2nc(-c3ccccc3)no2)cc1 14198503 CRZDNKMSCHAXBI-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB COc1ccccc1-c1cc(O)n(-c2nc3ccccc3o2)n1 14607860 YOSVIMZTNUNKFE-UHFFFAOYSA-N 307.309 3.395 0 40 DGAB CC(=O)Nc1cc(C(=O)NCc2ccccc2F)ccc1C 15225549 DMWMLUYIJHIFJA-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB NC(=O)c1ccc(COC(=O)c2ccc(C(F)(F)F)cc2)cc1 16743788 LKFMKKURJYIVJV-UHFFFAOYSA-N 323.270 3.161 0 40 DGAB O=C(Cc1csc(Nc2ccccc2)n1)NC1CCCC1 16850066 GVHQPNIIWICNDC-UHFFFAOYSA-N 301.415 3.488 0 40 DGAB CCN(CC)C(C(=O)Nc1c(C)cccc1C)N(CC)CC 19319377 AEGCUIFXTJCTTL-UHFFFAOYSA-N 305.466 3.252 0 40 DGAB CCN1CCC[C@H]1CN(Cc1ccccn1)Cc1cccc(C)n1 19527160 ZOWGRWZPCTZBBJ-FQEVSTJZSA-N 324.472 3.272 0 40 DGAB CN1c2ccccc2C(=O)N(Cc2ccco2)[C@H]1c1ccccn1 28923886 UBHUNNMDAUSOLC-SFHVURJKSA-N 319.364 3.466 0 40 DGAB Cc1nc(-c2ccncc2)sc1C(=O)NCCc1ccccc1 31868050 QAPXDUNJOLGSIP-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB CCN(CC)[C@H](CNC(=O)c1occc1C)c1ccsc1 31992772 XOYRTGRTZXYPJY-CQSZACIVSA-N 306.431 3.462 0 40 DGAB C[C@H]1CN(C(=O)[C@H](C)Oc2cccc3ccccc23)C[C@@H](C)O1 32647974 KIEIPMXYKQSFNX-ZNMIVQPWSA-N 313.397 3.243 0 40 DGAB CCC(C)(C)NC(=O)/C=C/c1cc(Cl)c2c(c1)OCCO2 32716518 XYAOFUYGMMSWGV-AATRIKPKSA-N 309.793 3.429 0 40 DGAB COC[C@H](C)NC(=O)/C=C/c1ccc(SC(F)(F)F)cc1 32903255 SBKMXNYZJIAAMI-YVFTVSHDSA-N 319.348 3.463 0 40 DGAB C[C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 33183822 IHHDJMZXHYMRQB-CHWSQXEVSA-N 315.442 3.443 0 40 DGAB N=C(NC(=O)c1cccs1)c1cc(Cl)nc(Cl)c1 33381044 OAENAUFOMMICBM-UHFFFAOYSA-N 300.170 3.205 0 40 DGAB CSc1nnc(C)n1NC(=O)c1ccc(-c2ccccc2)cc1 33748278 HSHOQHKNMJZFNO-UHFFFAOYSA-N 324.409 3.359 0 40 DGAB CCOC(=O)c1c(Cl)nc(C(F)(F)F)nc1C(F)(F)F 34286464 ZAWZHRKCTARQMN-UHFFFAOYSA-N 322.592 3.344 0 40 DGAB CN(C)[C@@H](CNC(=O)Cc1cccs1)c1ccccc1Cl 36090842 MXECHDSUXOVMOH-HNNXBMFYSA-N 322.861 3.363 0 40 DGAB CSCC[C@@H](N)c1nc2cc(Br)ccc2[nH]1 37441188 AADWMJJEQWQGQK-MRVPVSSYSA-N 300.225 3.078 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC(=O)[C@H]4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 38329342 HMFQSUMWKTYRNZ-ZTWNCRQDSA-N 304.430 3.138 0 40 DGAB biogenic,in-vitro O=C(COCC1CC1)NCc1ccc(-c2ccc(F)cc2)o1 40107324 SVOSPEHKQREALB-UHFFFAOYSA-N 303.333 3.129 0 40 DGAB CCc1cccc(NC(=O)NC[C@H](O)c2ccccc2OC)c1 40526319 IMNKLJQCZINCJJ-INIZCTEOSA-N 314.385 3.113 0 40 DGAB Cc1cnc(C(=O)N(C)Cc2ccccc2C(F)(F)F)cn1 43116371 KTKWMQDWQDEGSQ-UHFFFAOYSA-N 309.291 3.076 0 40 DGAB CCN(CC)CCC[C@@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219102 IBKWXUJBWVTAIY-LSDHHAIUSA-N 300.487 3.064 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@H]1c1cc(C)on1 48206667 KHVDIJAPAYZDGF-AWEZNQCLSA-N 316.361 3.146 0 40 DGAB O=C(NCc1cccnc1OCc1ccccc1)c1ccoc1 48410676 GQDPUEHSINVSFK-UHFFFAOYSA-N 308.337 3.184 0 40 DGAB CCc1cccc(NC(=O)CN2CCC[C@H]2c2cc(C)no2)c1 52008533 CJYWHXPWJPIHIB-INIZCTEOSA-N 313.401 3.321 0 40 DGAB Cc1ccc([C@@H](C)N(C)Cc2nc3ccccc3c(=O)[nH]2)s1 53212942 BAMJMSJAEZBDJX-GFCCVEGCSA-N 313.426 3.486 0 40 DGAB O=C(Cn1nnc2ccccc21)N1CCC[C@@H]1C1CCCCC1 55599576 SHNZPKAJUQKVFH-MRXNPFEDSA-N 312.417 3.003 0 40 DGAB C[C@H](NCc1ccccc1Cl)C(=O)NCc1ccccc1 57024394 KZZKODRPHNVYSI-ZDUSSCGKSA-N 302.805 3.135 0 40 DGAB CC(=O)Nc1ccc(Cl)cc1NCc1nc(C2CC2)no1 58181606 BMLYZRXEMWHWIN-UHFFFAOYSA-N 306.753 3.171 0 40 DGAB CC(C)COC(=O)N1CCCN(C(=O)Nc2ccccc2)CC1 58185995 GJRPXVRKDJIRJX-UHFFFAOYSA-N 319.405 3.019 0 40 DGAB O=C(Nc1cn[nH]c1)N(CCc1ccccc1)Cc1ccncc1 58193298 XOOMGOYDVZEOHD-UHFFFAOYSA-N 321.384 3.082 0 40 DGAB O=C(CN1CCCCCC1=O)Nc1ccc(-c2ccccc2)cn1 60398916 CFFHUZZGAAGWIQ-UHFFFAOYSA-N 323.396 3.090 0 40 DGAB O[C@@H](CSc1nnc(NC2CC2)s1)c1ccc(F)cc1 66348436 ATAUMJGHICMHOF-NSHDSACASA-N 311.407 3.077 0 40 DGAB Fc1ccc(-c2cn[nH]c2[C@@H]2CCCN(c3ncccn3)C2)cc1 67868823 XSZCVZMDHRALRZ-CQSZACIVSA-N 323.375 3.390 0 40 DGAB c1ccc(-c2cnc(CNCc3ccc4c(c3)OCCO4)o2)cc1 69153689 XUYSFEGUYGBXLN-UHFFFAOYSA-N 322.364 3.403 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCC[C@H](n2cccn2)C1 69350224 CYOCHVFMEBYXGZ-HNNXBMFYSA-N 322.368 3.015 0 40 DGAB C[C@H](N[C@@H]1CCC[C@H](C(F)(F)F)C1)C(=O)N1CCCCC1 69381976 QHTXAIRQYMWABB-RWMBFGLXSA-N 306.372 3.098 0 40 DGAB COCc1c(C(=O)N2C[C@H](C)OC[C@H]2C)sc2ccccc12 69414890 CEAPBPNVJHQAKT-NEPJUHHUSA-N 319.426 3.297 0 40 DGAB COc1ccccc1CC1CCN(C(=O)c2cccn2C)CC1 69484195 WXHNAIBJTHUKJT-UHFFFAOYSA-N 312.413 3.129 0 40 DGAB Cc1cccc(C(=O)Nc2ncccc2OCc2ccncc2)n1 69533205 HJQPCNQAGOCPRJ-UHFFFAOYSA-N 320.352 3.011 0 40 DGAB COc1ccc(N2C(=O)c3ccccc3N[C@H]2c2cc[nH]n2)cc1 69623320 VYYBARNUVDTFQT-QGZVFWFLSA-N 320.352 3.189 0 40 DGAB c1ncc2c(n1)CN(Cc1csc(-c3ccsc3)n1)CC2 69659241 SFIOHWDTOALKBK-UHFFFAOYSA-N 314.439 3.220 0 40 DGAB C[C@H]1CCc2c(sc(=O)n2CN2CCc3sccc3C2)C1 69707960 COWGKFWUBOQAFP-NSHDSACASA-N 320.483 3.112 0 40 DGAB O=S(=O)(CCOc1ccccc1)Nc1cccc(Cl)c1 70637719 JDAXPBAYVREGHL-UHFFFAOYSA-N 311.790 3.161 0 40 DGAB Cc1cc(C(=O)N2CCC(Cc3cccc(F)c3)CC2)on1 71816296 NPITUVXUJQWWNG-UHFFFAOYSA-N 302.349 3.217 0 40 DGAB Cc1ncsc1CN(C)C(=O)C[C@@H]1CCOc2ccccc21 71910396 WDQLLSJCUGVQDL-ZDUSSCGKSA-N 316.426 3.366 0 40 DGAB COc1ccc(-c2csc(CNC(=O)c3ccco3)n2)cc1 72264906 HGWINNITFIQCEM-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB CC(C)c1nc([C@H]2CCCN2Cc2nnc(C(C)C)o2)no1 72284556 ADCDQDIAUPQTJJ-LLVKDONJSA-N 305.382 3.037 0 40 DGAB Cc1c[nH]nc1[C@H]1CCCN(C(=O)c2ccccc2Cl)C1 72384876 NUWQUFAYDJTVDK-LBPRGKRZSA-N 303.793 3.391 0 40 DGAB C[C@H](CC(=O)N(C)Cc1ccccn1)C(=O)c1cccc(F)c1 72994346 YYRZRGVUWIWALM-CYBMUJFWSA-N 314.360 3.088 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)Nc2c(C)n[nH]c2C)cc1 76959211 VPFPQIQWZKJPPL-NSHDSACASA-N 305.403 3.154 0 40 DGAB CSC1(CNc2ccc(Br)cn2)CCOCC1 78412556 FWJDTJGLQUGGOG-UHFFFAOYSA-N 317.252 3.168 0 40 DGAB COc1ccsc1C(=O)Nc1ccccc1Cn1cccn1 78556979 BPVHVQPVQLVQFO-UHFFFAOYSA-N 313.382 3.254 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCO[C@@H]1CCCC[C@@H]1C 79306020 AVSZIITZOAKFPG-SLEUVZQESA-N 323.437 3.247 0 40 DGAB Cc1ccc([C@@H](C)C(=O)NCc2cc(C(=O)O)c(C)o2)cc1 89629734 MHMXHIWDJZYGOI-LLVKDONJSA-N 301.342 3.015 0 40 DGAB CC(=O)Nc1ccccc1CN(C)Cc1cn(C)nc1C(C)C 93867344 RENZTVUXJHRRIB-UHFFFAOYSA-N 314.433 3.134 0 40 DGAB Cc1noc2ncc(C(=O)N(C3CC3)[C@@H](C)c3ccccn3)cc12 95367655 SJKYPHFNOWLWJC-LBPRGKRZSA-N 322.368 3.292 0 40 DGAB C[C@H](NCc1cc2cc(F)ccc2o1)c1nnc2n1CCCC2 95402017 AHPLGLXKQKIIIO-NSHDSACASA-N 314.364 3.351 0 40 DGAB Cn1ccnc1CS(=O)(=O)c1ccc(C2CCCCC2)cc1 95412155 QXNRNLIMIFLTPY-UHFFFAOYSA-N 318.442 3.442 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1c1ccncc1)[C@@H](N)c1ccccc1 95412762 PBONQIXZHVMNAD-BMGDILEWSA-N 309.413 3.081 0 40 DGAB COC(=O)[C@@H]1CCCCC[C@H]1NCc1nc2ccccc2o1 95941449 GPMDUHNDQJMJCB-CHWSQXEVSA-N 302.374 3.039 0 40 DGAB Cc1nc(CC(C)C)c(C(=O)N2CCc3cnccc32)s1 96008879 YFLWCOSSMGJWED-UHFFFAOYSA-N 301.415 3.248 0 40 DGAB c1ccc(CN2C[C@@H](OCc3ccncc3)[C@H]3OCCC[C@H]32)cc1 96042510 XMGSNNIKPYVWIA-AQNXPRMDSA-N 324.424 3.030 0 40 DGAB Cc1cccc(N2CC[C@@]3(CC(=O)N(c4ccsc4)C3)C2)n1 96077559 BSFNKGBBANTXHT-QGZVFWFLSA-N 313.426 3.085 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)/C=C/c2ccccc2)cc1 96103036 SFEVDBFONASFSI-SNQZOLJRSA-N 313.422 3.272 0 40 DGAB CCCN1CC[C@]2(CCCN(Cc3cccc(OC)c3)C2)C1 96215669 QBVTVRKWSDXFRB-LJQANCHMSA-N 302.462 3.393 0 40 DGAB Cc1ccc2c(c1)C=C[C@H]2CC(=O)N[C@H](CO)c1ccccc1 96345095 CERPILJUXHHDKU-PKOBYXMFSA-N 307.393 3.345 0 40 DGAB O=C(CCC1CCCCC1)N[C@H](O)C(Cl)(Cl)Cl 96346690 UGYFKBKGRXSYAV-SNVBAGLBSA-N 302.629 3.152 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@@H](C)NC(=O)c1c(C)noc1C 96412176 PSCRGOJSVPKUPU-BMIGLBTASA-N 322.792 3.451 0 40 DGAB CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96456056 WABXYOCMXSEWGK-CVEARBPZSA-N 320.458 3.439 0 40 DGAB CC(C)Cc1noc(Cc2csc(-c3ccccn3)n2)n1 97001750 TXXAHJMILMUXFC-UHFFFAOYSA-N 300.387 3.377 0 40 DGAB O=C(Nc1ccc2c(cnn2C(F)F)c1)c1c(O)cccc1O 97032780 WOIGWGRORNRMNI-UHFFFAOYSA-N 319.267 3.095 0 40 DGAB CC(C)(C(=O)N1CCC[C@H](CCC(=O)O)C1)c1cccs1 97039545 VTTJDHUMVVLKNI-GFCCVEGCSA-N 309.431 3.129 0 40 DGAB Cc1nnc(CN[C@@H](C)c2nc(-c3ccccc3)cs2)o1 97112169 ZABHJGJBWGAUIY-JTQLQIEISA-N 300.387 3.352 0 40 DGAB CCc1nc([C@@H](C)NCC(=O)N2[C@@H](C)CCC[C@H]2C)cs1 97112246 QOZUIRBEGBRDSO-FRRDWIJNSA-N 309.479 3.146 0 40 DGAB CCc1nccn1[C@@H]1CCCN(C(=O)Nc2cccc(C)n2)C1 97378638 OLHQDMYOMCQRFN-CQSZACIVSA-N 313.405 3.018 0 40 DGAB Cc1cc(N)nc(SCc2nnc(-c3ccccc3)s2)n1 97379826 MWTLOFFZLWQELX-UHFFFAOYSA-N 315.427 3.178 0 40 DGAB CSC[C@@H](C)NC1C[C@@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C 102015196 PMYWTZXRZFIFIO-XBFCOCLRSA-N 314.495 3.258 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccccc3F)n3nnnc3N2)cc1 102794098 JOWVLERWOVKKKP-MRXNPFEDSA-N 307.332 3.177 0 40 DGAB C[C@H](NC(=O)[C@H]1CCOC1)[C@H](C)c1ccccc1C(F)(F)F 108366557 BFCCLRDASYFXPV-SRVKXCTJSA-N 315.335 3.350 0 40 DGAB CN(C)[C@@H](CNC(=S)N[C@H]1C[C@H]2CC[C@H]1C2)c1cccs1 110516217 CAZNOBGEIPLBKJ-XUXIUFHCSA-N 323.531 3.004 0 40 DGAB Cc1ncsc1CN(C)C(=O)Nc1ccnn1[C@@H](C)C1CC1 187720733 FCTNDTBBWNQDTJ-NSHDSACASA-N 319.434 3.283 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCCCN1CCCCC1 216324693 FKGKSBHSZWBCBM-KRWDZBQOSA-N 318.461 3.145 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN(C)c2ccccc2)c1 219278266 GOUZSVNCEXOJFE-UHFFFAOYSA-N 310.441 3.489 0 40 DGAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@@H](C)CN21 222635134 HHTDPHPXFZFVJR-APHBMKBZSA-N 312.442 3.492 0 40 DGAB CC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)NCCC(C)C 222824307 AJQCUHDRXYIOMV-ZDUSSCGKSA-N 324.852 3.239 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2c(C)cccc2C)cc1 224848222 QULBELKSWZAFLE-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB COc1ccc(-c2noc(-c3cccc(N)c3C)n2)cc1OC 225171743 IQKJLIICTALPQN-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB COCCNC(=O)c1ccc(NC2CCCCCCC2)c(N)c1 225449752 OYPSUPNDYKQIEE-UHFFFAOYSA-N 319.449 3.170 0 40 DGAB Cc1cccnc1NC(=S)NCCCN1C[C@@H](C)C[C@H](C)C1 225731624 HTBMTWOFDIBXIQ-KBPBESRZSA-N 320.506 3.044 0 40 DGAB Cc1ccc(OC[C@H](C)NC(=S)Nc2cccnc2)cc1C 225792022 WBVVZBMTSLWRNJ-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB CC(C)[C@H]1OCC[C@@H]1c1nc(COc2ccccc2F)no1 252487731 IAUGYMBPVNNJRI-XHDPSFHLSA-N 306.337 3.316 0 40 DGAB CN1c2ccccc2N(Cc2ccccc2Cl)S1(=O)=O 253473370 ULAOVPRNJPZDEP-UHFFFAOYSA-N 308.790 3.041 0 40 DGAB COc1ccc(-c2nnc(S[C@@H]3CCSC3)o2)cc1OC 521394990 LYRNKKTVNNJDQL-SNVBAGLBSA-N 324.427 3.351 0 40 DGAB Cc1ccc(CC(=O)Nc2cc(C(=O)O)ccc2OC(C)C)o1 538504665 JNVVJGLAISLKLC-UHFFFAOYSA-N 317.341 3.255 0 40 DGAB O=C(/C=C/c1ccco1)NCc1nccnc1-c1ccsc1 575619643 OFFPABZNAOVJNJ-ONEGZZNKSA-N 311.366 3.128 0 40 DGAB COc1cnc(F)c(CN[C@@H](C)[C@@H](c2ccccc2)N(C)C)c1 585117687 SJHCXAIUUSSYJZ-GUYCJALGSA-N 317.408 3.010 0 40 DGAB Cc1nc(/C=C/C(=O)N2CCC3(CC2)COC(C)(C)C3)cs1 585289083 DFJOVZFPRWUESN-SNAWJCMRSA-N 320.458 3.272 0 40 DGAB CN1CCOc2ccccc2CCCCC2(CCNCC2)C1 643555646 YFWOIKCDLSTYEL-UHFFFAOYSA-N 302.462 3.093 0 40 DGAB Cc1cccc(OC[C@H]2CCCN(c3ncc(Cl)cn3)C2)n1 1888844454 IFEIUWLZOMUOSZ-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB O=C(Nc1cccc(Cl)c1)C(=S)NCc1ccccc1 31517 AOSXGISKRCGNSV-UHFFFAOYSA-N 304.802 3.396 0 40 DGAB CCc1cc(-c2nnc3sc(-c4ccc(C)cc4)nn23)n(C)n1 132760 OTWFSWJCFYMLPG-UHFFFAOYSA-N 324.413 3.124 0 40 DGAB CCOc1ccccc1NC(=O)C1C[C@@H]2CCC[C@@H](C1)C2=O 1050540 RRVWFVGFTOCDQQ-STQMWFEESA-N 301.386 3.419 0 40 DGAB COc1ccc(-n2nnnc2-c2cccc(C(F)(F)F)c2)cc1 1402898 ROKXBDRYLKMLSH-UHFFFAOYSA-N 320.274 3.357 0 40 DGAB O=CNc1cc2c(cc1Br)-c1ccccc1C2=O 1569592 PFXCTNOGSABMBD-UHFFFAOYSA-N 302.127 3.229 0 40 DGAB CCOP(=O)(OCC)C(C)(C)OC(=O)NC(F)(F)F 1643724 FTLYMVODDOIMGW-UHFFFAOYSA-N 307.205 3.235 0 40 DGAB COCCNc1nc(-c2cccnc2)nc2sc(C)c(C)c12 3326684 APBNGRQALOMAMV-UHFFFAOYSA-N 314.414 3.428 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)/C=C/c2ccccc2)cc1 3555488 JGTBKBBIQNCVIA-JLHYYAGUSA-N 308.381 3.105 0 40 DGAB Cc1nnsc1C(=O)Nc1nc2ccc(Cl)cc2s1 4584560 DRQSILIDDLXNNM-UHFFFAOYSA-N 310.791 3.362 0 40 DGAB Cc1cc(C)n(-c2cc(-n3cccn3)nc(-c3ccccc3)n2)n1 5428067 BTOBGWRYTCGPMA-UHFFFAOYSA-N 316.368 3.132 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccc(COc2ccccc2)cc1 5774883 VQFJTXQLYBFMLA-GOSISDBHSA-N 311.381 3.174 0 40 DGAB Cc1ccc(-c2nnc(SCC(=O)NCCC(C)C)o2)cc1 5863022 VHPKSESOBKCNFM-UHFFFAOYSA-N 319.430 3.299 0 40 DGAB CCC[C@@H](CC(=O)OCCc1scnc1C)n1ccnc1 6650638 BNAFUFGWNLOEEY-ZDUSSCGKSA-N 307.419 3.165 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(OC)c(C)c2OC)C1=O 6656999 MPHYBAIOHKNILZ-UKTHLTGXSA-N 321.398 3.459 0 40 DGAB COCCn1c(C)c(C)c2c(NCCc3ccccc3)ncnc21 6760562 JMDYYCXLFUZLNQ-UHFFFAOYSA-N 324.428 3.349 0 40 DGAB Cc1ccccc1OCCN1C(=O)C(=O)c2cc(Cl)ccc21 8059839 NNOCAUIZQAEUIP-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(C)c(F)c2)c(F)c1 8259714 YEJRVDYIFONAGU-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1ccc2nc(NC(=O)CSC3=NCCS3)sc2c1 8320561 XRWYLHSQMDJMLH-UHFFFAOYSA-N 323.468 3.379 0 40 DGAB OCCc1nc2ccccc2n1CCOc1ccc(Cl)cc1 8786109 RNTUVIWTXONLOY-UHFFFAOYSA-N 316.788 3.304 0 40 DGAB O=C(Nc1ccccc1)[C@H](Sc1ncn[nH]1)c1ccccc1 9949586 SRYCANNFUROGMT-CQSZACIVSA-N 310.382 3.277 0 40 DGAB Cc1ccc(OCc2nnc3sc(-c4ccccn4)nn23)cc1 10312033 ZELAZSYCWSTAMW-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB CCCc1ccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)cc1 11869797 QLASCGYAIOXHQT-UHFFFAOYSA-N 321.380 3.057 0 40 DGAB CS(=O)(=O)c1ccc(NC(=O)CCC2CCCCC2)cc1 12916520 LNWCHCFHJHOXIQ-UHFFFAOYSA-N 309.431 3.389 0 40 DGAB O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H]1c1ccccc1 14101230 HVKLMQXDPOAGON-AWEZNQCLSA-N 322.817 3.261 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc2c(c1)NC(=O)CS2 14142159 DGOGYOYGYRBYFW-UHFFFAOYSA-N 312.394 3.003 0 40 DGAB C[S@@](=O)c1ccc(C(=O)Nc2cccc3ncccc23)cc1 14349767 YGVKLLKEIGJMII-QFIPXVFZSA-N 310.378 3.225 0 40 DGAB Cc1oc(C)c(C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)c1C 21734607 FWWXORZFIXRBQN-MRXNPFEDSA-N 315.369 3.191 0 40 DGAB CC(C)CC[C@H](C)NC(=O)c1ccc(CN2CCCC2=O)cc1 22885673 PDVMVXXIIHEYPD-HNNXBMFYSA-N 316.445 3.364 0 40 DGAB CC(=O)Nc1c(C)nn(Cc2ccc(Br)cc2)c1C 28228973 LDTUGSRTLFZXJN-UHFFFAOYSA-N 322.206 3.269 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1cc(-c2ccccc2)n[nH]1 28241334 WXWWPGFZGIOCMV-UHFFFAOYSA-N 311.316 3.233 0 40 DGAB COc1ccc(C)cc1NC(=O)CSc1nnc(C(C)C)o1 32883611 QJVGMEGOXZRSMB-UHFFFAOYSA-N 321.402 3.241 0 40 DGAB CCCCNC(=O)/C=C/c1cc(Cl)c2c(c1)OCCCO2 37115205 FOOBBSRWCFIRCR-AATRIKPKSA-N 309.793 3.431 0 40 DGAB Cc1cccc(NC(=S)NCCCN2CCC[C@H](C)C2)c1 44080824 FUENMFWOUGBQPG-HNNXBMFYSA-N 305.491 3.403 0 40 DGAB O=C(CCC1CCCC1)NCC1(N2CCOCC2)CCCCC1 47649987 CBWSIAWCKPIUKK-UHFFFAOYSA-N 322.493 3.108 0 40 DGAB COc1ccc(C(C)=O)cc1CN1CCO[C@@H]2CCCC[C@@H]21 51996227 KKNSJRABVKCQCR-FUHWJXTLSA-N 303.402 3.041 0 40 DGAB CC1=C[C@@H](C)[C@H]([C@@H]2NC(N)=Nc3nc4ccccc4n32)[C@H](C)C1 53944170 MPVKDSOURSACLP-AVRGHOLYSA-N 309.417 3.323 0 40 DGAB C[C@@H]1CCCN(C(C)(C)CNC(=O)NCCc2cccs2)C1 54540860 ITSKDLFKEAEIQL-CQSZACIVSA-N 323.506 3.100 0 40 DGAB O=C(Nc1ccncc1)N1CCC[C@@H]1c1nc2ccccc2[nH]1 56498692 FCYCWPLFRKIJCZ-OAHLLOKOSA-N 307.357 3.327 0 40 DGAB CCCCCc1nnc(NC(=O)c2ccc3nccn3c2)s1 57776976 OSGZXUFNZLVMSV-UHFFFAOYSA-N 315.402 3.171 0 40 DGAB Cc1cc(COC(=O)c2ccc(Br)cc2F)no1 58228520 XEHJSMMXPIAWMZ-UHFFFAOYSA-N 314.110 3.242 0 40 DGAB COc1ccccc1SCc1cc(=O)n2cccc(C)c2n1 58247262 DFOYQEWRDRNBPJ-UHFFFAOYSA-N 312.394 3.304 0 40 DGAB CC(=O)N1CCc2cc(Nc3cc(Cl)nc(C)n3)ccc21 58414848 XHJBOQUJJPPQPW-UHFFFAOYSA-N 302.765 3.091 0 40 DGAB Cc1c(C(=O)N[C@@H](Cc2ccccc2)c2ccccc2)cnn1C 58585640 ILNWQXDEEGHLFJ-IBGZPJMESA-N 319.408 3.442 0 40 DGAB COC(=O)c1ccc(-c2nc3cc(C(=O)OC)ccc3o2)cc1 59845523 OVZSWOKKARRHGD-UHFFFAOYSA-N 311.293 3.068 0 40 DGAB CCCC[C@@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)OC 67231448 WKESGSCPBLNIBV-GFCCVEGCSA-N 309.435 3.314 0 40 DGAB CCOc1ccccc1C(=O)N1CCC[C@H](n2cc(C)cn2)C1 69415582 LBWQKNIOYUTWFM-HNNXBMFYSA-N 313.401 3.068 0 40 DGAB O=C(C[C@H]1CCCO1)N(CCc1ccccc1)Cc1ccncc1 69489987 LPVGACXFVWLPNF-LJQANCHMSA-N 324.424 3.222 0 40 DGAB CCCNC(=O)[C@@H](C)[S@@](=O)Cc1ccc(Cl)c(Cl)c1 69490571 AFZKDEWSMPFSRK-AYLIAGHASA-N 322.257 3.157 0 40 DGAB O=C(c1ccc(-c2cnco2)cc1)N1CCC[C@@H](n2ccnc2)C1 69657333 OZQCBQMGWAQWCI-MRXNPFEDSA-N 322.368 3.015 0 40 DGAB COc1ccc(-c2cnc(CN(C)CC(F)(F)F)o2)cc1 69874310 UOJBYDSULNZVJQ-UHFFFAOYSA-N 300.280 3.344 0 40 DGAB Cc1oc(C)c(C(=O)N2CCCN(c3nccs3)CC2)c1C 71830810 PTRPCPKSYSRXHJ-UHFFFAOYSA-N 319.430 3.014 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)NCCCc2c[nH]c3ccccc23)n1 71886453 MHUOQBOCDNLBPW-HNNXBMFYSA-N 324.428 3.291 0 40 DGAB C[C@H]1[C@@H](C)SCCN1C(=O)c1csc(-c2ccoc2)n1 71911102 NAVKGFANBGAHIZ-VHSXEESVSA-N 308.428 3.369 0 40 DGAB CCCCN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 72216186 MLQDVTBPJOGIEO-QGZVFWFLSA-N 303.450 3.245 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(F)cc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227251 PAQYZYLXTHVVGF-KBPBESRZSA-N 324.277 3.260 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)c2ccc(C)n2C)n1 72273765 FLZCOIDXYQGGIF-CYBMUJFWSA-N 303.431 3.466 0 40 DGAB Cc1ncccc1-c1cc2cccnc2n1CCC(=O)NC1CC1 72389744 BUWWZXMIECMINN-UHFFFAOYSA-N 320.396 3.075 0 40 DGAB c1csc(-c2nc(N3CCOCC3)ncc2-c2ccncc2)c1 72396557 LKGJHZBXDXYLPV-UHFFFAOYSA-N 324.409 3.104 0 40 DGAB Cc1cnc(CN[C@@](C)(CNC(=O)OC(C)(C)C)C(C)C)o1 72634732 ZJDYRXYJCDGHNS-INIZCTEOSA-N 311.426 3.012 0 40 DGAB Cc1ccc(NC(C)C)c(NC(=O)CCc2cnn(C)c2)c1 74260373 MNIIKYKKRDEIQT-UHFFFAOYSA-N 300.406 3.120 0 40 DGAB O=C(Nc1cc(N2CCNC2=O)ccc1Cl)c1ccsc1 75137328 FSQCTECGGKKYLS-UHFFFAOYSA-N 321.789 3.183 0 40 DGAB CC[C@H]1CCCC[C@H]1N(C)C(=O)CN(C)C(=O)c1ccsc1 79097829 DKTNZZLEUCZRSQ-DZGCQCFKSA-N 322.474 3.247 0 40 DGAB CCc1[nH]c2ccc(I)cc2c(=O)c1C 82449714 CACTXQCOZWZZHN-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB Cc1ccncc1NS(=O)(=O)c1ccccc1C(F)(F)F 85235364 FAJFEBBLFMECNH-UHFFFAOYSA-N 316.304 3.210 0 40 DGAB CCOC(=O)c1nc(CC)oc1NC(=O)c1ccc(C)s1 89289868 MAFNSDDTUXZILB-UHFFFAOYSA-N 308.359 3.036 0 40 DGAB CN(C)C(=O)Sc1ccc(CN2CCOC(C)(C)C2)cc1 89919567 RSJGFNMAILMFPH-UHFFFAOYSA-N 308.447 3.071 0 40 DGAB Cc1ncc([C@H](C)NCc2cccc3c2OCCCO3)c(C)n1 90546614 KVXMDMCICKQTFE-LBPRGKRZSA-N 313.401 3.106 0 40 DGAB Cc1nnc(CN2CCN(Cc3ccccc3)c3ccccc32)o1 95978904 FEAPMGKBRMAXMH-UHFFFAOYSA-N 320.396 3.405 0 40 DGAB CO[C@@H]1CCN(C(=O)c2ccccc2C)[C@H]1Cc1ccccc1 96261264 JYQYQSGIORVJLT-RBUKOAKNSA-N 309.409 3.467 0 40 DGAB Cc1cnc(N2CC[C@@H](OCC3CC3)[C@@H]2Cc2ccccc2)nc1 96261317 KOFOMYQFSSXNQR-RBUKOAKNSA-N 323.440 3.402 0 40 DGAB O=C(N[C@H]1C[C@@H]1c1c(F)cccc1F)c1ccncc1Cl 96443690 DALMITNRLNPDLE-ZANVPECISA-N 308.715 3.299 0 40 DGAB C[C@H]1CCc2c(F)cccc2[C@H]1NCc1ccc(C(N)=O)cc1 96456817 MTAGOELAQZZPDT-SGTLLEGYSA-N 312.388 3.338 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N(Cc1ccccc1)[C@@H](CO)C1CC1 97046189 JGXHOQKHBQCWRM-INIZCTEOSA-N 318.804 3.081 0 40 DGAB Cc1ccnc(NC[C@H]2CCN(Cc3cnc(C)s3)C2)c1 97200810 UNYVGTDKUPXPCX-CQSZACIVSA-N 302.447 3.089 0 40 DGAB Cc1cc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)c(C)o1 97373931 YAJHXSYILUESAK-ZDUSSCGKSA-N 300.402 3.449 0 40 DGAB FC(F)(F)C1(C(F)(F)F)[C@H]2C=C[C@@H](C2)N1c1ncccn1 100241663 AKOOSSRAIBCESU-YUMQZZPRSA-N 309.213 3.105 0 40 DGAB O=C1[C@@H]2[C@@H]3C[C@H](c4ccccc4)[C@H](C3)[C@H]2C(=O)N1c1nccs1 100394405 SKUIOZKPGFUHDJ-UXXRCYHCSA-N 324.405 3.072 0 40 DGAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3)C2=O)cc1 100572095 NURIKNJWZFJERD-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(C)cc3C)C2=O)c1 101275173 YZADRPQESIFJDC-QGZVFWFLSA-N 308.381 3.356 0 40 DGAB Cc1ccccc1N[C@H]1CC(=O)N(c2c(C)cccc2C)C1=O 101275510 YCLHZBLMVPASRX-INIZCTEOSA-N 308.381 3.356 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1ccc(Cl)cc1Cl 102055534 XHCQPQMOYOZWIE-GYBADROVSA-N 308.164 3.305 0 40 DGAB CC(C)N1CC[C@@H](CNC(=O)[C@H](C)SCc2ccccc2)C1 106155681 DNZVXGONVCXJPT-RDJZCZTQSA-N 320.502 3.155 0 40 DGAB CNC(=O)[C@@H](c1ccccc1)N(Cc1ccccc1)C(=O)C(C)C 223346127 OFFGOXOWLOGQHB-GOSISDBHSA-N 324.424 3.159 0 40 DGAB COc1cc2c(cc1S(=O)(=O)NC1CCCCC1)CCCC2 224065796 ZIMMJVOGWMOEGK-UHFFFAOYSA-N 323.458 3.185 0 40 DGAB COc1cccc(NC(=S)N[C@H](C)COc2ccccc2)c1 225781735 PWJDUKBKJDKYJK-CYBMUJFWSA-N 316.426 3.449 0 40 DGAB CCc1nc(Nc2ccc(OC)cc2)c2c(n1)c(C)nn2CC 226688191 PLQOJHKGMYGISW-UHFFFAOYSA-N 311.389 3.469 0 40 DGAB CCCN(CCC)c1nn(-c2ccc(CC)cc2)nc1C(=O)O 256049124 YGXGCEVPDRTMOY-UHFFFAOYSA-N 316.405 3.154 0 40 DGAB Cc1ncsc1CN1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257213068 CGBLKZMUCBDHND-CYBMUJFWSA-N 313.430 3.102 0 40 DGAB CC(=O)N1CCC[C@@H](c2cccc(-c3ccccc3C(=O)O)n2)C1 257246316 ITOQPCMSMMTCMU-CQSZACIVSA-N 324.380 3.173 0 40 DGAB CCCn1cc(CN2CCCC[C@@H]2c2ccn3ccnc3n2)cn1 257279911 OIQXUPMATDKYNR-QGZVFWFLSA-N 324.432 3.063 0 40 DGAB CNc1cncc([C@H]2CCCN2Cc2cccc3[nH]ccc23)n1 257294108 QSMCMTHDQQBHFG-QGZVFWFLSA-N 307.401 3.337 0 40 DGAB COc1cccc(C(=O)Sc2nnc(-c3ccncc3)o2)c1 408599603 XGBMMZMOALQOAQ-UHFFFAOYSA-N 313.338 3.073 0 40 DGAB Nn1c(Cc2ccccc2)nnc1SCc1cccc(F)c1 409103163 BFXHQDOLAOFPME-UHFFFAOYSA-N 314.389 3.014 0 40 DGAB Cc1cc2c(c(=O)n1C)[C@@H](c1cccc3ccccc13)CC(=O)O2 524734539 PHUGBHYACJGRSW-MRXNPFEDSA-N 319.360 3.288 0 40 DGAB C[C@]1(CCc2ccccc2)CCN(Cc2nc(C(=O)O)co2)C1 577857191 SSSDXIYJXSTAIJ-SFHVURJKSA-N 314.385 3.218 0 40 DGAB Cc1ccc(-c2noc(C[C@H](O)Cc3ccccc3)n2)c(F)c1 581756005 ORRNKUJYNHBESB-CQSZACIVSA-N 312.344 3.330 0 40 DGAB CC[C@@H]1C[C@@H](NC(=O)NCc2ccc3occc3c2)CCO1 661332638 MXENINIBSSHPBW-LSDHHAIUSA-N 302.374 3.190 0 40 DGAB Cc1ncnc(N2CCN(c3ccccc3Cl)CC2)c1C 1184757508 BUHISNALKBNUQD-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB O=C(CCC(F)(F)F)N1CCC[C@H](COc2ccncc2)C1 1776001940 ULVOLAHGWGCQCS-LBPRGKRZSA-N 316.323 3.042 0 40 DGAB COc1cc(Nc2ncnc(C3CC3)c2F)cc(OC)c1OC 1888865766 TYTRNVVSFAPYFV-UHFFFAOYSA-N 319.336 3.263 0 40 DGAB Cc1cc(C(=O)NCCc2ccc(-c3cnn(C)c3)cc2)c(C)o1 1889191431 OQMMASDAXZDEJS-UHFFFAOYSA-N 323.396 3.269 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)c1cccc(OC(F)F)c1 375202 QRCZRYHVLRTHGF-UHFFFAOYSA-N 321.279 3.312 0 40 DGAB O=C(CSc1nnc(-c2cccc(F)c2)o1)NC1CCCC1 415813 CETREGVOGRXADK-UHFFFAOYSA-N 321.377 3.027 0 40 DGAB CCN1CCN(c2ccc(NC(=O)c3ccc(C)cc3)cc2)CC1 557296 IJNDRIGXWNGJDB-UHFFFAOYSA-N 323.440 3.389 0 40 DGAB Cc1ccc(S(=O)(=O)C[C@@H]2CCc3ccccc3C2=O)cc1 2028299 ZDYNPRWTOHZAFT-HNNXBMFYSA-N 314.406 3.214 0 40 DGAB O=C(Nc1ncn(Cc2ccccc2)n1)c1ccc(Cl)cc1 2797917 LBMBXCSLZHRKSS-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB Cc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(N(C)C)cc2)cc1 3400681 YGLHWRAEAJAOAU-AWEZNQCLSA-N 311.381 3.489 0 40 DGAB Cc1cc(C)c(C(=O)COC(=O)c2ccc(O)cc2O)cc1C 3531509 CUIFSYXYCLNKKM-UHFFFAOYSA-N 314.337 3.063 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CCC4=CC(=O)CC[C@@]43C=O)[C@H]1CCC2=O 4063369 XRCFMDPVHKVRDJ-AFQPOQBFSA-N 300.398 3.266 0 40 DGAB endogenous,in-man CCCC[C@H](CC)CNC(=O)CCC(=O)NCc1ccco1 4700459 TYACPVZUDVFEEX-AWEZNQCLSA-N 308.422 3.009 0 40 DGAB COc1ccc2c(C(=O)CN3C[C@H](C)C[C@@H](C)C3)c[nH]c2c1 5217125 QQBAMSNLCIZFCT-CHWSQXEVSA-N 300.402 3.337 0 40 DGAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccccc3F)C2=O)cc1 5341951 UEHZVROGQKUBST-GOSISDBHSA-N 312.344 3.101 0 40 DGAB CC(C)CC(=O)N1CCN(C(=O)CC(C)C)c2ccccc21 5715543 ZISLECGKUMKXQZ-UHFFFAOYSA-N 302.418 3.458 0 40 DGAB COc1ccc(-c2n[nH]c(S[C@H]3CCCCC3=O)n2)cc1 6141906 VPUOFHNFXNQRRF-ZDUSSCGKSA-N 303.387 3.084 0 40 DGAB CCOC(=O)[C@H]1CCCN(Cc2c(C)[nH]c3ccccc23)C1 6508889 RDDTULSDIQVWRO-AWEZNQCLSA-N 300.402 3.251 0 40 DGAB O=C(CNCc1cccs1)Nc1cccc(C(F)(F)F)c1 6548972 MRPZUEUSINUELD-UHFFFAOYSA-N 314.332 3.495 0 40 DGAB CC(C)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)o1 6848057 UIFGHSIRRAAABZ-UHFFFAOYSA-N 311.794 3.007 0 40 DGAB CC(=O)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1 7052371 UGJITHMNKNIVJF-VAWYXSNFSA-N 301.367 3.302 0 40 DGAB COc1cc(OC)cc([C@@H]2Nc3ccccc3C(=O)N2C2CC2)c1 7886155 DLVNRCZFPCDOQZ-GOSISDBHSA-N 324.380 3.433 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)/C=C/c1ccc2c(c1)OCO2 9698654 QDFJHHQFCJOBSS-BUUCAEBMSA-N 307.349 3.406 0 40 DGAB Cn1nc(-c2cccc(NC(=O)Nc3ccccc3)c2)ccc1=O 11694511 PHXPJFUUDUDTEE-UHFFFAOYSA-N 320.352 3.091 0 40 DGAB COc1cccc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)c1 12506787 CTJAMINMCHQAHA-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB Cc1cc(COC(=O)c2cc(Cl)cc(Cl)c2N)no1 16211266 XLZFAJIHJVMULZ-UHFFFAOYSA-N 301.129 3.229 0 40 DGAB O=C(COc1ccc(F)cc1)NCCc1c[nH]c2ccccc12 17295167 YJEJJVZITQOKBB-UHFFFAOYSA-N 312.344 3.045 0 40 DGAB Fc1ccc(CN2CCC(c3cc4nccnc4[nH]3)CC2)cc1 19333871 ZUSHQLLDQJTETJ-UHFFFAOYSA-N 310.376 3.477 0 40 DGAB CC(C)CC(=O)Nc1nnc(-c2ccc(Br)cc2)o1 20496057 DIWPTRYQBYXFGM-UHFFFAOYSA-N 324.178 3.484 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 20903519 OTKPKBSWLZFAMF-UHFFFAOYSA-N 319.364 3.386 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)c(C)c2)C1=O 21915091 CNEBJASGERDVBG-OAHLLOKOSA-N 324.380 3.056 0 40 DGAB O=C(NCc1ccccn1)c1cccnc1Oc1ccccc1 24347486 VJQBQVLISNCCSD-UHFFFAOYSA-N 305.337 3.199 0 40 DGAB Cc1nc(C2(NC(=O)c3ccc(F)cc3F)CCCCC2)no1 26491378 MNKUFEBVBIZRSU-UHFFFAOYSA-N 321.327 3.246 0 40 DGAB Cc1cccc(NC(=O)c2ccc(-n3nc(C)cc3C)cc2)n1 27655639 OOMIMPCLPTXCIH-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB CCn1nc(C)cc1NC(=O)[C@@H](C)Oc1cc(C)cc(C)c1 28244396 ZVFJSSCNTWSOIC-CQSZACIVSA-N 301.390 3.234 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@H](c1sccc1C)N2 30540694 PGPXCICGQNFEAV-OAHLLOKOSA-N 318.398 3.270 0 40 DGAB COc1ccc(CC(=O)NCc2cccc(OC(C)C)c2)cc1 30857255 YLGASSFHRVJXSF-UHFFFAOYSA-N 313.397 3.341 0 40 DGAB C[C@H](NC(=O)[C@H](C)n1cc(Br)cn1)c1ccccc1 32611618 ALFJFXCEHMDFLV-QWRGUYRKSA-N 322.206 3.084 0 40 DGAB CN(C)c1cccc(C(=O)NCc2nc3ccccc3s2)c1 32986095 PQLXACXUHQAJQF-UHFFFAOYSA-N 311.410 3.292 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@H]1CC(c2ccccc2)=NO1 33150000 CNGKOFJLBQOSHE-QGZVFWFLSA-N 308.337 3.021 0 40 DGAB CCCCN1C(=O)S/C(=C\Nc2ccccc2OC)C1=O 36636214 VRGUQHXPZMADNU-RAXLEYEMSA-N 306.387 3.444 0 40 DGAB CCOc1ccc(C(C)(C)C)cc1S(=O)(=O)NCC(C)C 36638895 ADBVZGDBBNWKBB-UHFFFAOYSA-N 313.463 3.317 0 40 DGAB CN(C)c1cc(CNC(=O)c2cc3c(s2)CCCC3)ccn1 40087528 GUTAOARLVDXPHW-UHFFFAOYSA-N 315.442 3.018 0 40 DGAB COC(=O)[C@@H]1CCCCN1C(=O)c1cc2ccccc2s1 42647570 FJMLCQXJCYJCLT-LBPRGKRZSA-N 303.383 3.069 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CC(=O)Nc3cc(F)ccc32)o1 44895552 SUOMHTGKBYMNNJ-MFKMUULPSA-N 316.332 3.030 0 40 DGAB CN(C)c1ccc(C(=O)OCc2cc(-c3ccccc3)on2)cn1 47789239 AUFGXYXFSBRWOU-UHFFFAOYSA-N 323.352 3.160 0 40 DGAB Cc1csc(CCNC(=O)Nc2cnc3ccccc3c2)n1 48235453 PPXDFFBTWYITRT-UHFFFAOYSA-N 312.398 3.364 0 40 DGAB COc1ccc(NC(=O)NCCCOCc2ccco2)cc1F 48450436 WFLHDEILZUQJOW-UHFFFAOYSA-N 322.336 3.156 0 40 DGAB Cc1ccc(CN(Cc2nc(O)c3sccc3n2)C2CC2)o1 52993981 PDKCBMDWYZJXKT-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)/C=C/c2nccs2)c1 58200939 YCSIYIGVRUHBDJ-AATRIKPKSA-N 324.409 3.348 0 40 DGAB CCOC(=O)C1(NC(=O)c2ccccc2Cl)CCCCC1 58217773 PELNMPNEPVDAMH-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)[C@H]1CC=CCC1 58218030 JCEHYCYRRQPNNA-SMDDNHRTSA-N 313.319 3.211 0 40 DGAB COc1ccccc1N1CC[C@@H](CNC(=O)CC2CCCC2)C1 58326630 YGCNTYHPMPWNCE-INIZCTEOSA-N 316.445 3.218 0 40 DGAB CC(C)NC(=O)CCCC(=O)Nc1ccc(OC(C)C)cc1 65607845 UJLPLUOHSMEGHA-UHFFFAOYSA-N 306.406 3.107 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2sccc2C)cc1 67197932 XCMQGRXOIUMEKI-ZDUSSCGKSA-N 317.410 3.399 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CCC(Nc2cccnc2)CC1 68338686 BISFDDSLTVEDEC-UHFFFAOYSA-N 317.339 3.077 0 40 DGAB CN(Cc1ccc(-n2cccn2)cc1)C1Cc2ccccc2C1 69436268 CSVUKHGMDWFNER-UHFFFAOYSA-N 303.409 3.472 0 40 DGAB C[C@@H](Sc1nncn1C1CC1)C(=O)c1cc(F)ccc1F 70039809 SSPAPWAYIXKWCF-MRVPVSSYSA-N 309.341 3.255 0 40 DGAB Cc1cc(C[S@@](=O)Cc2cccc(C(F)(F)F)c2)no1 71846906 LCXAGRDLIGMNDL-HXUWFJFHSA-N 303.305 3.451 0 40 DGAB CCNC(=O)CCCC(=O)NC(C)(C)Cc1ccccc1Cl 71900205 XSZPHRYFBKNMAE-UHFFFAOYSA-N 324.852 3.084 0 40 DGAB Cc1ccccc1-n1ccnc1SCc1cc(=O)c(O)co1 71914304 KBJURSGIRGBZER-UHFFFAOYSA-N 314.366 3.132 0 40 DGAB CCN(Cc1ccoc1)C(=O)NC[C@@H](OC)c1ccccc1 71924639 SBGDAKOIIZGJJR-MRXNPFEDSA-N 302.374 3.199 0 40 DGAB C[S@](=O)c1c(Cl)cccc1NC(=O)c1ccccc1F 72310014 YWEILWQPSDOACD-HXUWFJFHSA-N 311.765 3.469 0 40 DGAB c1ccc(CN2CCOC[C@H]2c2nc(-c3ccncc3)c[nH]2)cc1 72322060 AAGMEIYMPYBEFB-SFHVURJKSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro CCC(=O)N1CCC[C@@H]1c1nccnc1Nc1nc(C)cs1 72384755 HIVJIQPIGOQKCO-LLVKDONJSA-N 317.418 3.059 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@H](Cc3nccs3)C2)s1 72385622 OYNFOLGONDWMON-GFCCVEGCSA-N 321.471 3.311 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccccc2O)cs1 75178068 QOQWLCUVIHFYHY-NSHDSACASA-N 320.414 3.218 0 40 DGAB O=C(CCCn1ccnc1)NC1(c2cccc(Cl)c2)CC1 76934390 LTGRZPPXACOPEB-UHFFFAOYSA-N 303.793 3.122 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NCc1cnn(-c2ccccc2)c1 78553212 MQKWIOJPAVACPS-CYBMUJFWSA-N 309.417 3.073 0 40 DGAB CCCO[C@H]1CCCN(C(=O)COc2ccccc2F)CC1 78671219 YVSSYBFALQFCFU-AWEZNQCLSA-N 309.381 3.012 0 40 DGAB Cc1ncsc1C(=O)N1C[C@H](n2cccn2)Cc2ccccc21 81258718 PKJOLHVUGJBAIC-CQSZACIVSA-N 324.409 3.092 0 40 DGAB COC[C@H](NC(=O)N[C@H]1CCc2c(F)cccc21)c1ccco1 83897938 WWDNWYNFTOGGHE-GJZGRUSLSA-N 318.348 3.093 0 40 DGAB COCCN1CCC[C@H]1COC(=O)/C=C/c1ccc(Cl)cc1 83902880 GWKBDGDXAAQSLI-FSNWXROXSA-N 323.820 3.007 0 40 DGAB CCN(C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)nc2Cl)C1 84760839 ZEHOCHSALUMQDJ-ZDUSSCGKSA-N 324.856 3.157 0 40 DGAB C[C@H](CC[C@H]1CCCO1)NCc1cccc2c1OCCCO2 95393609 YPKWTKUVHDVFOP-GDBMZVCRSA-N 305.418 3.285 0 40 DGAB COc1c(C)cnc(CN2CCCC[C@H]2c2ncc[nH]2)c1C 95422796 GWIBHPAOIQCCBE-HNNXBMFYSA-N 300.406 3.157 0 40 DGAB COc1cc(C(C)=O)ccc1OC[C@@H](O)c1ccccc1F 95974877 HHQCITKLKBPTKP-OAHLLOKOSA-N 304.317 3.149 0 40 DGAB C[C@@H](CN[C@H](C)c1ccc(Cl)c(Cl)c1)CS(C)(=O)=O 95984206 XKPCZXJYSWHSJH-VHSXEESVSA-N 324.273 3.325 0 40 DGAB O=C(CCc1cncc(F)c1)Nc1ccc(-c2ccccc2)nn1 95986373 DCRLVMBNLKKENT-UHFFFAOYSA-N 322.343 3.249 0 40 DGAB CO[C@H](CNC(=O)NCCCc1ccccc1)c1ccsc1 96097494 SWPBCQADZODWAN-MRXNPFEDSA-N 318.442 3.368 0 40 DGAB O=C1C[C@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1Cl 96308980 DAVPWFHJYNQWSJ-ZDUSSCGKSA-N 318.735 3.223 0 40 DGAB CCCCOCC(=O)Nc1cc(Br)ccc1OC 96410962 XGZXAUFMFLHQPW-UHFFFAOYSA-N 316.195 3.213 0 40 DGAB CC[C@@H](NC(=O)NCCc1cccnc1)c1cc(F)ccc1F 96419857 SOZFWPBNSDHVNN-MRXNPFEDSA-N 319.355 3.353 0 40 DGAB Cc1ccccc1C1CC(Nc2cccc(C(=O)NCCO)c2)C1 97084605 OHBISZSFDJKRIF-UHFFFAOYSA-N 324.424 3.075 0 40 DGAB Cn1cc(-c2cccc(CNc3nnc(C(C)(C)C)o3)c2)cn1 97114469 CCDLROZWPJBPRC-UHFFFAOYSA-N 311.389 3.380 0 40 DGAB Cc1cccc(NC(=O)N[C@H](C)C[C@@H](O)c2cccs2)n1 97378557 XXTBDPPFHJLXQM-VXGBXAGGSA-N 305.403 3.085 0 40 DGAB CCOc1ccc(C2=C[C@H](c3ccccc3)N3NC=NC3=N2)cc1 100594094 OJOJDITWWZWACK-GOSISDBHSA-N 318.380 3.386 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)N(C[C@@H]1CCOC1)C1CC1)C2 103402830 GHUMSPARQFKTIY-BFIPOCKSSA-N 320.477 3.412 0 40 DGAB CO[C@H](CNc1ncnc2ncccc12)c1ccccc1Cl 119818830 XQVJQMDGIQBYAK-CQSZACIVSA-N 314.776 3.478 0 40 DGAB CO[C@@H](CNC(=O)c1cc(C2CC2)on1)c1ccccc1Cl 206851313 JYBSRGJQPJNPFT-HNNXBMFYSA-N 320.776 3.323 0 40 DGAB COC(=O)C1CCC(Nc2ccc(Cn3cccn3)cc2)CC1 225424477 LKQLIYJHRUMKHB-UHFFFAOYSA-N 313.401 3.075 0 40 DGAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OC)ccc1OCC 225790643 LQIIRAYIUBMPRO-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB CCOc1ccc(NC(=O)[C@]2(OC)CCC[C@H](C)C2)c(C)n1 225889389 GOGBERRIWPGZIS-SJCJKPOMSA-N 306.406 3.323 0 40 DGAB C[C@@H](Oc1ccccc1)C(=O)NCc1ccc(-c2ccco2)nc1 238831805 GBZIBXRSFZYTQA-CQSZACIVSA-N 322.364 3.425 0 40 DGAB N[C@@H]1CCCC[C@@H]1N[C@H]1CCCC[C@@H]1OCc1ccccc1 242649024 RRNLSOSWIHMGHJ-XWSJACJDSA-N 302.462 3.374 0 40 DGAB O=C(c1ccccn1)N1[C@H](c2ccccc2)C[C@H]2NCCCC[C@@H]21 257313364 USCKVWKXHDCCMC-QYZOEREBSA-N 321.424 3.180 0 40 DGAB Cc1cncc([C@H]2CCCN2Cc2c(C)nc3sccn23)n1 257332023 XVKYHBOQBZVZDQ-CQSZACIVSA-N 313.430 3.140 0 40 DGAB NCC1(c2ccc(I)cc2)CCCC1 259653022 DNVGWJCYAAJTRW-UHFFFAOYSA-N 301.171 3.062 0 40 DGAB O=C(c1ccc2ncccc2c1)N1CCNC[C@H]1c1ccccc1 313339017 DWKMXMIFOOBWIG-IBGZPJMESA-N 317.392 3.022 0 40 DGAB O=C1[C@H]2[C@H](C(=O)N1Cc1ccc(Cl)cc1)[C@H]1C=C[C@H]2C12CC2 409381898 KMBPLKNEDZTOSV-KBUPBQIOSA-N 313.784 3.037 0 40 DGAB C/C(=C\c1ccccc1)CN1CCC([C@H]2NC(=O)C2(C)C)CC1 563429286 UZJFYQDXGAPVFD-FDPSAONLSA-N 312.457 3.327 0 40 DGAB CC(C)COC1CCN([C@H](C(=O)O)c2ccc(F)cc2)CC1 580955572 HXGHYLXNLPZJNK-INIZCTEOSA-N 309.381 3.088 0 40 DGAB CN(Cc1ccccc1)C[C@@H](O)COc1ccc2c(c1)CCC2 584627791 BEWXWBOECIEVBY-LJQANCHMSA-N 311.425 3.047 0 40 DGAB Cc1cccc(NC(=O)C[C@@H]2C[C@H]2c2ccccc2)c1C(N)=O 585081067 BKNBIWNMLIUVPJ-GJZGRUSLSA-N 308.381 3.226 0 40 DGAB CN(C)CCCC(C)(C)NC(=O)c1cccc2scnc12 585141705 XEBDHWODDMYKLE-UHFFFAOYSA-N 305.447 3.147 0 40 DGAB O=c1cc(C2CC2)ncn1CC1CCN(CC2CCCC2)CC1 585630851 XPKSTALLNPMFFZ-UHFFFAOYSA-N 315.461 3.023 0 40 DGAB C[C@@H](NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C)c1ccc(F)cc1 1539329505 VGCSMDUEXMKLEI-PSTGCABASA-N 315.344 3.231 0 40 DGAB CC(C)(C)NC(=O)N1[C@H]2CC[C@H]1CC(n1cc(Cl)cn1)C2 1776009330 DMOZEQDTMMTUCH-RYUDHWBXSA-N 310.829 3.213 0 40 DGAB CC(C)c1nccn1CC1CN(c2ccnc(C(C)(C)C)n2)C1 2298180925 SRUWXEANDZCZKK-UHFFFAOYSA-N 313.449 3.230 0 40 DGAB CCN(CC)c1ccc(NS(=O)(=O)c2ccccc2)cc1 174956 WBHFUXWMLUDIIZ-UHFFFAOYSA-N 304.415 3.334 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@H](CC(C)C)N1CCC1=O 353529 DNKNGKAXHZSHAU-HNNXBMFYSA-N 302.418 3.143 0 40 DGAB O=C1c2ccccc2C(=O)N1CCOc1cccc(Cl)c1 367573 PSGMLLRZHBNXPZ-UHFFFAOYSA-N 301.729 3.015 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1occc1C)[C@@H]2C 487734 JEDACXUYDQWADO-LLVKDONJSA-N 301.342 3.062 0 40 DGAB biogenic Cc1cccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)c1 530614 YXVFVYVRLIAYDJ-CQSZACIVSA-N 305.381 3.402 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1 3154306 KRIMYAQVPCEASA-UHFFFAOYSA-N 313.325 3.397 0 40 DGAB COc1ccc(/C=C2\N=C(c3cccs3)OC2=O)c(OC)c1 3244998 YNFFTFZYZSTZGY-WQLSENKSSA-N 315.350 3.110 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NC2CCCCCC2)c(C)c1 3315913 ZWJVGJUQFLVPNS-UHFFFAOYSA-N 303.402 3.299 0 40 DGAB O=C(COc1ccc(F)c(Cl)c1)NCCc1ccccc1 3444513 NMTXMPMSKCPJRN-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB C[C@@H](NC(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 3512367 MKRVUJRFODRNQW-GFCCVEGCSA-N 317.772 3.374 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1 3659884 YGYQSPQOJHLYRK-GDBMZVCRSA-N 314.429 3.045 0 40 DGAB Cc1cccc(C)c1-n1c(C)nn(CCOc2ccccc2)c1=O 4072951 KVULSNKAPUEUMR-UHFFFAOYSA-N 323.396 3.038 0 40 DGAB O=C(Nc1cccc2ccccc12)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 4322364 MFZAXXIWMFKGSC-OQUILHJVSA-N 307.349 3.301 0 40 DGAB CCCC[C@@H](CC)CNCc1cccn1CCN1CCOCC1 4681296 CHQDZNDCTFEWOO-GOSISDBHSA-N 321.509 3.126 0 40 DGAB COc1cc(CNc2ccccc2Cl)ccc1OCC(=O)O 4739716 YDZQSACURHDLKH-UHFFFAOYSA-N 321.760 3.424 0 40 DGAB Cc1ccc(-n2nnnc2Cc2ccc(F)cc2)cc1Cl 4744311 RQOGEFAPUXZFHD-UHFFFAOYSA-N 302.740 3.354 0 40 DGAB COc1ccc(Cn2nnc(-c3cccc(Cl)c3)n2)cc1F 5088407 LHJKDROKOZFYES-UHFFFAOYSA-N 318.739 3.190 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)COc1ccccc1F 5510934 HWCCUOHUJRTCDZ-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB O=C(O[C@H]1CCCCC1=O)c1c2c(nc3ccccc13)CCC2 5984988 CSRLNDGCPPFAHQ-KRWDZBQOSA-N 309.365 3.392 0 40 DGAB Cc1cccc(NC(=O)Cn2c(C)c(C=O)c3ccccc32)n1 6391422 XWRBWPRGQIOMIN-UHFFFAOYSA-N 307.353 3.104 0 40 DGAB O=C(CN1CCc2ccccc21)Nc1ccc(N2CCCC2)cc1 7359047 YWBGGJWCZIMJAL-UHFFFAOYSA-N 321.424 3.288 0 40 DGAB Cc1cccc(NC(=O)COC(=O)Cc2ccccc2Cl)c1 7535535 VFFDBJIGUBCTDV-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CC(C)(C)c1ccc(NC(=O)COc2nnc3ccccn23)cc1 8224836 RDHZOUCHNPBCFR-UHFFFAOYSA-N 324.384 3.044 0 40 DGAB COc1cc(C(=S)NCc2ccccc2)cc(OC)c1OC 9188074 DMIJAGQQEFTHEZ-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(O)cc2)cc1OCC 10003019 VXNKQAZNDYAZES-UHFFFAOYSA-N 301.342 3.442 0 40 DGAB CCc1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2C)[nH]1 11717036 ZTRWITMZXVKGTB-LLVKDONJSA-N 304.419 3.103 0 40 DGAB COC(=O)c1cccc(NC(=O)C2=Cc3ccccc3OC=C2)c1 12274537 VABPAMLTMILQGA-UHFFFAOYSA-N 321.332 3.401 0 40 DGAB biogenic COC(=O)c1ccc(NCc2nc(-c3ccccc3C)no2)cc1 12557470 NOHLZKUELWELJT-UHFFFAOYSA-N 323.352 3.444 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 12602721 NXSFYUPCWBIVFY-MRXNPFEDSA-N 322.408 3.486 0 40 DGAB Cc1ccccc1CN(C)CC(=O)N[C@@H](C)c1cccs1 12780021 QEXUBFCKCUQSHM-AWEZNQCLSA-N 302.443 3.366 0 40 DGAB Cc1ccccc1NC(=O)CCCNC(=O)c1cccs1 12894182 WJUOLXPUIKVJJR-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB Cc1nn(C)c2sc(C(=O)NCc3ccccc3F)cc12 12974600 ZZRHVCPTGQIJQB-UHFFFAOYSA-N 303.362 3.012 0 40 DGAB CCn1c(O)c(-c2nc3ccccc3[nH]2)c(=O)c2ccccc21 13130619 BOQURYBPOHPXSB-UHFFFAOYSA-N 305.337 3.270 0 40 DGAB O=C(Nc1c(O)c2ccccc2oc1=O)c1c(F)cccc1F 16525270 LJPQFFUEPCSLBC-UHFFFAOYSA-N 317.247 3.029 0 40 DGAB CCOc1ccc(S(=O)(=O)NC2CCCCC2)c(C)c1C 17193551 FMZJGKGPIBHIBQ-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB CC(C)n1ncc2c(C(=O)N(C)C)cc(-c3ccccc3)nc21 17395784 PONZSXUZZASEIU-UHFFFAOYSA-N 308.385 3.381 0 40 DGAB CC(C)C(=O)N1CCC[C@@H](n2c(=O)oc3ccc(Cl)cc32)C1 19085552 LBYAKFKYLIJMPX-GFCCVEGCSA-N 322.792 3.067 0 40 DGAB CC[C@@H](C)N1CCN(C2CCN(Cc3ccccc3)CC2)CC1 19900138 SGHRSORVZFULQK-GOSISDBHSA-N 315.505 3.067 0 40 DGAB Cc1nc2nc3c(cn2n1)C(=O)C[C@H](c1ccc(C(C)C)cc1)C3 20671694 BLYVSUYGIILPCX-OAHLLOKOSA-N 320.396 3.469 0 40 DGAB O=S(=O)(N[C@@H](c1ccccc1)c1ccccn1)c1ccccc1 25658067 OPALOTFRDDVZGD-SFHVURJKSA-N 324.405 3.150 0 40 DGAB c1ccc([C@H]2CN(Cc3ccc(-n4cccn4)cc3)CCO2)cc1 25948602 RTZDSWSQTCRQOF-HXUWFJFHSA-N 319.408 3.446 0 40 DGAB Cc1ccnc(NC(=O)c2cc(Cl)c3c(c2)OCCCO3)c1 27648646 HNKLLJTVGRRKHD-UHFFFAOYSA-N 318.760 3.457 0 40 DGAB COc1cccc(CC(=O)N[C@H]2CCCC[C@@H]2C(F)(F)F)c1 27864317 BCPJZJNMLDZBJN-KBPBESRZSA-N 315.335 3.475 0 40 DGAB Cn1c(SCc2cccs2)nnc(-c2ccccc2)c1=O 28537531 GZOTUFXKJMYKDB-UHFFFAOYSA-N 315.423 3.196 0 40 DGAB COc1ccc(C2=CCN(C(=O)NCc3ccco3)CC2)cc1 32936960 YXPHEWASNRSEGO-UHFFFAOYSA-N 312.369 3.287 0 40 DGAB CCc1ccccc1N[C@@H]1CC(=O)N(c2cccc(C)c2)C1=O 36635362 OUTRSYPCTSLVPA-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB Cc1cccc(-n2ncc(C(=O)NCCc3ccco3)c2C)c1 40052296 BQZMUXVUTOBQSA-UHFFFAOYSA-N 309.369 3.055 0 40 DGAB O=C(Nc1cccc(N2CCNC2=O)c1)c1ccccc1Cl 40108540 OACZGKMCQMARKU-UHFFFAOYSA-N 315.760 3.122 0 40 DGAB O=C(OCc1ccccc1)c1ccc(OC2CCNCC2)cc1 42782922 UWLSSHVMQBKVON-UHFFFAOYSA-N 311.381 3.174 0 40 DGAB COC(=O)c1c(F)cc(Br)cc1Br 44200116 GHONLOKYDAMFEB-UHFFFAOYSA-N 311.932 3.137 0 40 DGAB CCCc1noc([C@@H](C)N2CCN(c3ccccc3F)CC2)n1 44583744 VIPVAHJYJPSUSC-CYBMUJFWSA-N 318.396 3.044 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(Cc2ccccc2F)CC1 44791108 LLXBTPBIPVNVJJ-UHFFFAOYSA-N 308.397 3.315 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)Nc2cc(C)on2)cc1OC 44915979 DPXLCHBQJQIQQC-LLVKDONJSA-N 319.361 3.273 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2sccc2[C@H]1C 46320522 IRCCJBTUXJYBFO-GHMZBOCLSA-N 324.446 3.107 0 40 DGAB CC1=NN(c2ccc(C(=O)Nc3ccc4c(c3)OCO4)cc2)CC1 46894340 TZGBPOKQSMFSHM-UHFFFAOYSA-N 323.352 3.254 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)OCC1(C)COC1 49017188 HFPPAAORLGVLOP-UHFFFAOYSA-N 309.412 3.373 0 40 DGAB O=C1C[C@@H](c2noc(-c3ccccc3F)n2)CN1c1ccccc1 49060261 SAZXDBGKQQUSJN-GFCCVEGCSA-N 323.327 3.396 0 40 DGAB Cc1cccc(N2CCN([C@@H](C)c3nc(C4CC4)no3)CC2)c1 51287614 WYYKOAUABZOFMQ-AWEZNQCLSA-N 312.417 3.139 0 40 DGAB Cc1noc(C(C)C)c1C(=O)N[C@H](C)COc1ccccc1F 55674849 BIDCQHLGNVJTJO-LLVKDONJSA-N 320.364 3.443 0 40 DGAB Cc1cccc(C)c1OC1CCN(C(=O)Nc2cn[nH]c2)CC1 57029953 FCTNMIFWYIDXNR-UHFFFAOYSA-N 314.389 3.102 0 40 DGAB COc1ccc(C(=O)N(Cc2ccccn2)C2CC2)c(F)c1 61511222 QNBRRLAUKSTQSD-UHFFFAOYSA-N 300.333 3.034 0 40 DGAB CC[C@@H](C)Sc1ccc(NC(=O)Cn2cncn2)c(C)c1 62640057 QKKLATGNOQVXHF-GFCCVEGCSA-N 304.419 3.116 0 40 DGAB Cc1noc(C2(NC(=O)CCc3ccccc3)CCCCC2)n1 65257740 QYCFWVCOBHKFRF-UHFFFAOYSA-N 313.401 3.286 0 40 DGAB Cc1noc([C@@H](C)Sc2nnc(Cc3ccccc3F)o2)n1 67955018 FSGYSVPSSOELIY-MRVPVSSYSA-N 320.349 3.344 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)[C@H]1C[C@H]1c1ccccc1Cl 69350076 ARMCDSRIGBJOSY-STQMWFEESA-N 303.793 3.100 0 40 DGAB COCC(=O)N[C@H](C)c1sc(-c2ccc(C)cc2)nc1C 69586670 CGVATSGSIQMGFU-LLVKDONJSA-N 304.415 3.251 0 40 DGAB C[C@@H](Cc1ccccc1F)NC(=O)N[C@@H](C)c1nccs1 71879777 WXHSRLTWZJGFTO-QWRGUYRKSA-N 307.394 3.274 0 40 DGAB O=C(O)C1(c2cc(-c3ccc(Br)cc3)on2)CC1 72220592 GHTUZEPNPQWSQL-UHFFFAOYSA-N 308.131 3.220 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](C)C2)nc(N2CCCCCC2)n1 72241513 ASZMQYRZVDSUAE-CQSZACIVSA-N 316.449 3.038 0 40 DGAB COc1ccnc(C(=O)N2CCCC[C@H]2c2nc(C)cs2)c1 72286457 YCXHCAUARIZREO-AWEZNQCLSA-N 317.414 3.223 0 40 DGAB CN(C)[C@H](CNC(=O)COC1CCCC1)c1ccc(Cl)cc1 72309362 LCEPCBAFFFNUSJ-MRXNPFEDSA-N 324.852 3.018 0 40 DGAB c1ccc(-c2cnc(CCSc3nc4ncccn4n3)o2)cc1 72624296 BJMCZMZXUPUJJZ-UHFFFAOYSA-N 323.381 3.114 0 40 DGAB Cc1cccc(-c2ccc(C(=O)NCc3ccsc3)c(=O)[nH]2)c1 75117637 FIFWLGBWRATMRC-UHFFFAOYSA-N 324.405 3.342 0 40 DGAB CC(C)Cn1cc(NC(=O)Nc2cnn(CC(C)C)c2)cn1 78630494 FXWZQRUHOWSVKK-UHFFFAOYSA-N 304.398 3.036 0 40 DGAB CN(CC(F)(F)F)C1CCC(NC(=O)OC(C)(C)C)CC1 79020185 DOHNEVRJOHLYCZ-UHFFFAOYSA-N 310.360 3.316 0 40 DGAB CCc1cc2c(N3CCC[C@H](c4ccn[nH]4)C3)ncnc2s1 83820525 VLHZBWRNMAIUHD-NSHDSACASA-N 313.430 3.361 0 40 DGAB CC(C)(C)n1cc(NC(=O)c2cccc(-n3cccn3)c2)cn1 84325829 HOPKEUZXRYBJAV-UHFFFAOYSA-N 309.373 3.076 0 40 DGAB CCc1ccccc1NC(=O)Nc1cnc(-n2ccnc2C)nc1 85555640 ZZUALYUOHOJPMM-UHFFFAOYSA-N 322.372 3.177 0 40 DGAB COc1cc(C(C)=O)ccc1OC(=O)[C@@H]1C[C@@H]1c1ccco1 89292122 LSYAZTFGZMIJGI-QWHCGFSZSA-N 300.310 3.200 0 40 DGAB COc1ccc(NC(=O)C(F)(F)c2ccccn2)cc1Cl 89457527 COIBBMIQGRXREE-UHFFFAOYSA-N 312.703 3.474 0 40 DGAB Cc1cc(N[C@H](C)CCn2cccn2)nc(-c2ccccc2O)n1 91621293 ZURJEEIEIACHDE-CYBMUJFWSA-N 323.400 3.245 0 40 DGAB Cc1cnc(CNC(=O)NCc2ccccc2OC(C)C)s1 95404485 ULVWHUPTRDWVCR-UHFFFAOYSA-N 319.430 3.238 0 40 DGAB C[C@@H](Cc1ccccc1Cl)NC(=O)N[C@H](C)c1cnn(C)c1 95404504 PGPXVCKCSOUZES-NWDGAFQWSA-N 320.824 3.065 0 40 DGAB O=C(CSc1ccccc1O)N1CCC[C@H](C(F)(F)F)C1 95406442 SLMCFIWFNYSOAK-JTQLQIEISA-N 319.348 3.285 0 40 DGAB O=C(NCC1CCSCC1)c1c(F)c(F)cc(F)c1F 95407096 QALHTAQJLDZRIX-UHFFFAOYSA-N 307.312 3.116 0 40 DGAB COc1ccsc1C(=O)N[C@H](C)CC(=O)c1cccs1 95435148 IAPIPYYGSJLTMU-SECBINFHSA-N 309.412 3.210 0 40 DGAB CN1CC[C@@H](NC(=O)c2ccco2)[C@@H]1c1ccc(Cl)c(F)c1 95437867 ZUBHZUVBSVRUND-HIFRSBDPSA-N 322.767 3.247 0 40 DGAB CC(=O)c1cccc(NC(=O)N2CCC[C@@]2(C)CCCO)c1 95455388 LUGWUISMVYCDQE-KRWDZBQOSA-N 304.390 3.048 0 40 DGAB CCOc1ncc(C(=O)N[C@H](C)c2cncc(F)c2)cc1Cl 95465085 ZMZHWLNWQIUDRC-SECBINFHSA-N 323.755 3.159 0 40 DGAB COCCn1ccc2c(C(=O)NCCc3ccccc3)cccc21 95473605 HYQCJOFTBUVSRM-UHFFFAOYSA-N 322.408 3.260 0 40 DGAB CCOC(=O)CCOc1cc(C)c(Br)c(C)c1 95734250 VLOMSMBMDPEGLM-UHFFFAOYSA-N 301.180 3.398 0 40 DGAB COc1cccc(C(N[C@H]2CCOC2)c2cccc(OC)c2)c1 95968906 MCYRUDGXWXFUIO-INIZCTEOSA-N 313.397 3.172 0 40 DGAB CO[C@@H](CNC(=O)COc1ccc(F)cc1)c1ccc(C)s1 96104689 XGMOBYLJLYNUMA-AWEZNQCLSA-N 323.389 3.078 0 40 DGAB CO[C@H](CNC(=O)c1cc2ccccc2[nH]1)c1cccc(F)c1 96388020 OVFMOCRDRUWAPW-QGZVFWFLSA-N 312.344 3.425 0 40 DGAB Cc1noc(C)c1C[C@H](C)NC(=O)N[C@@H](C)c1ccc(F)cc1 96415129 VAASKRUGCVSWGT-QWRGUYRKSA-N 319.380 3.422 0 40 DGAB Cc1ccc2c(c1)[C@@H](NC(=O)N(C)Cc1cc(C)on1)[C@@H](C)C2 96500411 ZVVWPGMHNBXGAL-SJCJKPOMSA-N 313.401 3.366 0 40 DGAB CCc1ccc(N2CCN(C(=O)c3ccc(N)c(C)c3)CC2)cc1 97020217 CJQSOYBOMGEESN-UHFFFAOYSA-N 323.440 3.102 0 40 DGAB O=C1COc2cc(NCc3cc(-c4ccccc4)[nH]n3)ccc2N1 97113754 ACNCBBQHLRPZBI-UHFFFAOYSA-N 320.352 3.020 0 40 DGAB COC(=O)c1coc(COc2cc(F)cc(F)c2C(C)=O)c1 97228860 VEQVRXQZOGCCIA-UHFFFAOYSA-N 310.252 3.126 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)c1cc(N)cc(Br)c1 97679323 JABDRWNZLICRCQ-AOOOYVTPSA-N 311.223 3.434 0 40 DGAB Cc1cnccc1NC(=O)c1cnn(-c2cccc(Cl)c2)c1 107284892 RVWDOGQDPGAGBA-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB COc1ccc(S(=O)(=O)NCc2ccccc2C)c(C)c1C 222614058 BLNKJEVDRSIGAO-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB CC(C)COc1c(I)cc(F)cc1C=O 225271756 JACAPMLIPRCTPL-UHFFFAOYSA-N 322.117 3.278 0 40 DGAB CCN(CC)c1ccc(N)cc1C(=O)N1C[C@@H](C)C[C@@H](C)C1 226323936 HXKOVRJIDISJDF-OKILXGFUSA-N 303.450 3.233 0 40 DGAB O=C(NCC1CCN(C2CCSCC2)CC1)c1ccsc1 245171722 XRUVGWOVASQGPR-UHFFFAOYSA-N 324.515 3.086 0 40 DGAB CN(C)[C@H](CNC(=S)N[C@@H]1C[C@H]2CC[C@H]1C2)c1cccs1 245264214 CAZNOBGEIPLBKJ-IGQOVBAYSA-N 323.531 3.004 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253476864 BTIIZGYDRCRTFM-ZMMAXQRCSA-N 309.494 3.311 0 40 DGAB O=C(Nc1cccc(F)c1)[C@H]1[C@H](F)[C@H](F)[C@@H](F)[C@H](F)[C@@H]1F 254744634 YOXLKZJLOHSSNS-ZRTYVNEUSA-N 311.225 3.085 0 40 DGAB Cc1ccc(C(C)(C)C(=O)N2CCC[C@H](c3ccncn3)C2)cc1 257217314 CYLOKZQSMNCVHE-INIZCTEOSA-N 323.440 3.469 0 40 DGAB C[C@]12CC[C@@]3(O)[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@H]1CCC2=O 257346200 UXZGHAVOAACUIL-MYCADBAFSA-N 306.446 3.074 0 40 DGAB CC[C@@](NC(=O)c1ccc(C)s1)(C(=O)O)c1ccccc1 262433224 OQWOWEUKTYRJGB-INIZCTEOSA-N 303.383 3.176 0 40 DGAB COc1cccc(CS(=O)(=O)C[C@@H](C)c2ccccc2)c1 390833981 PWYRBHFFTWPBIV-CQSZACIVSA-N 304.411 3.414 0 40 DGAB CCCCOCc1nn(CCC)cc1I 408715583 BVSJAFKQPUSABG-UHFFFAOYSA-N 322.190 3.214 0 40 DGAB Cc1cc(-c2cccc(CO[C@H]3CCOC3)c2)oc1C(=O)O 583883043 DDUWNIWSIWABGR-AWEZNQCLSA-N 302.326 3.259 0 40 DGAB O=C(O)c1cc(-c2ccccc2)n2nc(C(F)(F)F)cc2n1 47474219 SQOFWROSFDCZKZ-UHFFFAOYSA-N 307.231 3.113 0 40 DGAB COC(=O)c1sc(NC(=O)c2cccc(Cl)c2)nc1C 273381 XPYKEYKJAKQMEU-UHFFFAOYSA-N 310.762 3.144 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 54634504 UUWMHEHPBUPKAP-BLLLJJGKSA-N 308.385 3.475 0 40 DGAB O=C(Nc1cc(Cl)ccc1C(=O)N1CCCC1)N1CCCC1 47787423 DYGIAVVHXIIPKV-UHFFFAOYSA-N 321.808 3.204 0 40 DGAB COc1c(Cl)cc(NC(=O)CC(C)(C)C(=O)O)cc1Cl 78813857 CLQZARLQRKIGPR-UHFFFAOYSA-N 320.172 3.441 0 40 DGAB COc1cccc(CNC2CCN(CCc3ccccc3)CC2)c1 78912984 NONHWWGHXKKTES-UHFFFAOYSA-N 324.468 3.492 0 40 DGAB CN[C@H](Cc1ccccc1)c1cc(OC)c(OC)c(OC)c1 6481897 RUNQPMFFKWULFL-OAHLLOKOSA-N 301.386 3.216 0 40 DGAB Cc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 10234927 SFBGOFQZWVGGRN-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB O=c1onc(-c2cccs2)n1Cc1cccc2cccnc12 58342224 QKCFTWDGMQAOHZ-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB Cc1csc(=O)n1CCN1CCC[C@H]1c1cccc(F)c1 58404166 XYJOEFZHEIGOCO-HNNXBMFYSA-N 306.406 3.194 0 40 DGAB CC(C)[C@H](NC(=O)N[C@@H](C)Cn1ccnc1)c1cccs1 45123916 HSRSOUPQHJNENC-JSGCOSHPSA-N 306.435 3.030 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1 55676391 PURLMNVXIHCEAH-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB Cc1cn2nc(NC[C@H]3CCN(c4ccccc4)C3)sc2n1 29624706 UNFAEDVNCAVFSN-CYBMUJFWSA-N 313.430 3.038 0 40 DGAB O=C1CCc2cc(C(=O)COc3ccc(F)cc3F)ccc2N1 60592576 HEOLMNKGUVBJHQ-UHFFFAOYSA-N 317.291 3.111 0 40 DGAB Cc1csc2nc(COc3ccc(Cl)cc3)cc(=O)n12 21368904 MMDXJBRVBUORNT-UHFFFAOYSA-N 306.774 3.297 0 40 DGAB Fc1ccccc1O[C@H]1OCCO[C@@H]1Oc1ccccc1F 3212591 FWTVEIMDHYXUST-HZPDHXFCSA-N 308.280 3.122 0 40 DGAB Cc1cc(C)c(NC(=O)CCCNC(=O)c2ccco2)c(C)c1 12888540 ZHOJWNSUSGYRAK-UHFFFAOYSA-N 314.385 3.354 0 40 DGAB O=C(CSc1nnc2ccccn12)Nc1cccc(Cl)c1 3505694 YUEBWQGNOBAQEY-UHFFFAOYSA-N 318.789 3.114 0 40 DGAB CCN(Cc1ccccn1)Cc1cc(OC)cc2c1O[C@@H](C)C2 93338647 SAEXJVAGDSPTFI-AWEZNQCLSA-N 312.413 3.436 0 40 DGAB Cc1ccc([C@H](C)CCC(=O)Nc2ncnc3nc[nH]c23)cc1 4016576 AUQRGGFSDSCHNG-GFCCVEGCSA-N 309.373 3.184 0 40 DGAB COc1ccc2occ(/C=C3\SC(=S)N=C3O)c(=O)c2c1 13811709 MARNBCQUAIVYLB-WCIBSUBMSA-N 319.363 3.131 0 40 DGAB Cc1cnc(NC(=O)CSc2ccc(F)c(F)c2)s1 14093710 RLDZJBFNDNEJAY-UHFFFAOYSA-N 300.355 3.461 0 40 DGAB CC(C)N(C(=O)Cc1csc(-c2cccnc2)n1)C(C)C 65575267 PGESBZDLFZEULD-UHFFFAOYSA-N 303.431 3.393 0 40 DGAB C[C@H]1c2ccsc2CCN1c1ncc(Br)cn1 67120325 FALZHIVVNALTTP-QMMMGPOBSA-N 310.220 3.424 0 40 DGAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CC[C@H]1c1ccccc1 80585603 HEKDFCKIPHMUNZ-HYVNUMGLSA-N 302.418 3.001 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccco2)N2CCCCC2)c(C)o1 7736744 AFIVLTJLEZJYMY-MRXNPFEDSA-N 316.401 3.446 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccccc1Br 16490895 RPQSXMOMGFIXRQ-UHFFFAOYSA-N 316.158 3.183 0 40 DGAB CCOC[C@H]1CCN(C(=O)N[C@H](C)c2cc(C)ccc2C)C1 81471326 JUGZKCPTDZUYRA-CVEARBPZSA-N 304.434 3.432 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(F)c1F 69025937 WGHDOBJERXSLHJ-VIFPVBQESA-N 302.296 3.137 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1cc(F)ccc1F 8105673 NWBOOXWRLSFPFU-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB CCn1cc([C@@H]2OCC[C@@H]2CNCc2ccc(C)s2)cn1 83843515 CTJVURCZVWOREV-CZUORRHYSA-N 305.447 3.140 0 40 DGAB C/C=C/CCNC(=O)Cc1csc(Cc2ccccc2)n1 71908032 YIOWBJSGOVKBOW-NSCUHMNNSA-N 300.427 3.359 0 40 DGAB C[C@@H](c1ccccc1Cl)N(C)CC1CCN(CCO)CC1 69628633 JGRGHBXFVSCRNO-AWEZNQCLSA-N 310.869 3.037 0 40 DGAB O=C(NCCCn1ncc2ccccc21)[C@H]1C[C@@H]1c1ccccc1 72239476 OJULJCKKTRWGIF-MSOLQXFVSA-N 319.408 3.346 0 40 DGAB NC(=O)[C@@H](Cc1ccccc1)Sc1ccc2ccccc2n1 97114182 PTEQWHSIULOVCZ-MRXNPFEDSA-N 308.406 3.424 0 40 DGAB S=c1oc(-c2ccncc2)nn1CN1CCc2ccccc2C1 8752387 YWPNHSYJAHMBKI-UHFFFAOYSA-N 324.409 3.283 0 40 DGAB COc1cccc(/C=C2/NC(=O)N(Cc3ccc(C)cc3)C2=O)c1 409223875 GIQGDZWKISYJNB-GZTJUZNOSA-N 322.364 3.097 0 40 DGAB Cc1c(C(=O)N[C@@H](C(N)=O)c2ccccc2)sc2ccccc12 8981068 SOTYOJKMHSQJPT-OAHLLOKOSA-N 324.405 3.166 0 40 DGAB Cc1cccc(S(=O)(=O)CCCn2cnc3ccccc32)c1 97144470 XGRAXMJCARCBLN-UHFFFAOYSA-N 314.410 3.209 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)[C@@H](C)N2CCCCCC2)C12CCCC2 72304617 NZFXPUOGANSHAT-IXDOHACOSA-N 322.493 3.105 0 40 DGAB Cc1[nH]ccc1C(=O)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95434173 WMGWEIILEGEWIQ-GDBMZVCRSA-N 316.401 3.425 0 40 DGAB COCc1cc(CNC(=O)Nc2cnn(C(C)C)c2)ccc1F 84633177 JZRUCUUAZBVYER-UHFFFAOYSA-N 320.368 3.071 0 40 DGAB CC(C)(CCCNc1ncnc2cccc(F)c12)C1OCCO1 74259403 OJKFNERGOKNTSE-UHFFFAOYSA-N 319.380 3.360 0 40 DGAB O=S(=O)(Nc1ccncc1F)c1c(Cl)cccc1Cl 95994053 VLVUTVMXTXBXFH-UHFFFAOYSA-N 321.160 3.328 0 40 DGAB O=C(NCC1(CO)CCCCC1)[C@@H]1C[C@@H]1c1c(F)cccc1F 95966764 CLFIVTNAXIQFGS-QWHCGFSZSA-N 323.383 3.127 0 40 DGAB CN(CCSc1nncn1CC(F)(F)F)c1ccccc1 89346430 RRGLRLRQBCRIEF-UHFFFAOYSA-N 316.352 3.069 0 40 DGAB Cc1ccc([C@H]2CSCCN2C(=O)[C@H]2CCCOC2)cc1 89632160 QMKKBRZVYVROPZ-JKSUJKDBSA-N 305.443 3.038 0 40 DGAB COc1ccccc1CC(=O)N[C@@H](C)CC(=O)c1ccccc1 89894640 OIGMSADJHCTNSA-AWEZNQCLSA-N 311.381 3.015 0 40 DGAB COc1c(Cl)cccc1NC(=O)N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 76021484 UONOBNCLQTXRLS-FZZIBODNSA-N 324.808 3.284 0 40 DGAB c1ccc(-c2c[nH]c([C@@H]3COCCN3Cc3cccnc3)n2)cc1 67898620 IPGFNGKYAINSJF-SFHVURJKSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro C[C@H](Cc1ccccc1F)N[C@@H]1CCO[C@]2(CCSC2)C1 188248443 JPEWHQJNXKKCLF-FRFSOERESA-N 309.450 3.401 0 40 DGAB N[C@@H]1CCCC[C@@H]1N[C@@H]1CCCC[C@@H]1OCc1ccccc1 218868066 RRNLSOSWIHMGHJ-HCXYKTFWSA-N 302.462 3.374 0 40 DGAB CO[C@H]1CC[C@H](NC(=O)Nc2cccc(N(C)C(C)C)c2)C1 189581144 RYSWXDXJBGGJBN-HOCLYGCPSA-N 305.422 3.220 0 40 DGAB C[C@@H](CNS(=O)(=O)Cc1ccc(F)cc1)Cc1ccccc1 41345379 CGJJTJOXZPKBNW-CQSZACIVSA-N 321.417 3.124 0 40 DGAB Cn1nc(C(=O)O)c2c(-c3ccc4ccccc4c3)ccnc21 72339597 WOOCTHFKKZEVKM-UHFFFAOYSA-N 303.321 3.487 0 40 DGAB COc1ccc(Cl)cc1S(=O)(=O)NC(C(C)C)C(C)C 224896052 QCVKJIDAUMRPLJ-UHFFFAOYSA-N 319.854 3.308 0 40 DGAB Cc1noc(C)c1[C@H](C)CNc1nnc(-c2ccon2)s1 225822718 PXXFIZKPGWYDLF-SSDOTTSWSA-N 305.363 3.014 0 40 DGAB C[C@H](SC(=S)N1CCCC1)C(=O)N[C@H]1CCCC[C@@H]1C 195580641 MDHIUKYGAOAUCQ-AVGNSLFASA-N 314.520 3.184 0 40 DGAB Cc1ccccc1CNc1ncnc2c1cnn2-c1ccccn1 41529407 QZELAKJVDMIPJU-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB CC(C)(C)OC(=O)N1CC(Oc2nc3ccccc3s2)C1 223811678 FAQDQBAWQWRBBX-UHFFFAOYSA-N 306.387 3.294 0 40 DGAB Cc1cccc(OCCNC(=O)COc2ccccc2F)c1C 223962760 GBHOLJMPYGJREE-UHFFFAOYSA-N 317.360 3.017 0 40 DGAB C[C@@H](C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1)c1ccsc1 96479602 HVZAPKVHCZBPTI-QMTHXVAHSA-N 321.373 3.323 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@@H](Nc3ccccc3F)C2=O)c1 95915170 SXIZUOAFHDFAPU-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB N=c1ccnc(CN2CC3(CCCCC3)[C@@H]2c2ccccc2)[nH]1 579203783 BZYAAZJGRBRXSE-SFHVURJKSA-N 308.429 3.397 0 40 DGAB COc1cccc(CN2CCC3(CC2)CCN(CC2CC2)C3)c1 96046652 JQWDKBUDHNFDQB-UHFFFAOYSA-N 314.473 3.393 0 40 DGAB CC(C)OCCN(C#N)c1ccc(F)c(Br)c1 97011125 QCICUZNHYBGKKP-UHFFFAOYSA-N 301.159 3.301 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccccc2F)=NO1 96192661 MQWRDKBMYGSQGP-PXAZEXFGSA-N 304.365 3.110 0 40 DGAB CCN(CC(=O)NC(C)(C)C)Cc1ncc(Cl)cc1Cl 96495460 ABEBGEHONKIQOX-UHFFFAOYSA-N 318.248 3.125 0 40 DGAB Cc1oc2c(c1C(=O)N1CCC[C@H]1c1cnccn1)CCCC2 257233186 GOESQTDJANKPSU-HNNXBMFYSA-N 311.385 3.234 0 40 DGAB O=C(O)c1cccc(CN2CCC[C@]3(C2)OCc2ccccc23)c1 263378143 AZZJPFFYQSWXRO-HXUWFJFHSA-N 323.392 3.406 0 40 DGAB Nc1ncnc(N2CCC[C@H]2Cc2ccc(F)cc2)c1Cl 582368004 QRKMKOZASOIHFX-LBPRGKRZSA-N 306.772 3.063 0 40 DGAB CCc1cccc(NC(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1 54355126 MJOSOIJFAKSESN-INIZCTEOSA-N 314.389 3.269 0 40 DGAB C[C@@H]1CSCCN1C(=O)Nc1nc(-c2ccccc2)ns1 78868885 XNAXMLNDKSFBPS-SNVBAGLBSA-N 320.443 3.174 0 40 DGAB CCN(Cc1ccccc1)C[C@H](O)COc1ccc(F)cc1 1469910 ZZOZLKXQFLFSQC-KRWDZBQOSA-N 303.377 3.088 0 40 DGAB S=C(NCCCc1ccccc1)Nc1ccc2c(c1)OCO2 13817385 FKGGJPZXPWHCNX-UHFFFAOYSA-N 314.410 3.335 0 40 DGAB CC(=O)c1c(O)cc(C)n(-c2cc(Cl)cc(Cl)c2)c1=O 16769718 JUBMSOHSUCOAQE-UHFFFAOYSA-N 312.152 3.361 0 40 DGAB Fc1ccc2[nH]cc(CCNC(=S)NCc3ccco3)c2c1 17054314 DPHZNIWAPAXBOY-UHFFFAOYSA-N 317.389 3.107 0 40 DGAB O=C(O)CCCc1nc(-c2ccc(Cl)c(Cl)c2)no1 17087032 RYWYUXIRMAEDBH-UHFFFAOYSA-N 301.129 3.451 0 40 DGAB O=c1c(NCc2cccs2)nccn1-c1cccc(F)c1 15732393 NOSQXBKPXDUXSB-UHFFFAOYSA-N 301.346 3.045 0 40 DGAB CCCOc1nn(CCC)cc1C(=O)Nc1ccccc1F 9070900 XKPBETZXMDVJBD-UHFFFAOYSA-N 305.353 3.473 0 40 DGAB CC(=O)N1CCc2ccc(NC(=O)c3c(F)cccc3F)cc21 13695988 ZMWPBIJWMZSIPB-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB CCc1ccc(NC(=O)C(=O)c2ccccc2NC(C)=O)cc1 2950696 GYJWAHKCBLWOOG-UHFFFAOYSA-N 310.353 3.029 0 40 DGAB O=c1c2ccccc2ncn1Cc1cccc(Br)c1 171469 XVVPWARQVPZGRT-UHFFFAOYSA-N 315.170 3.207 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)[C@@H]2CCCO2)cc1 30174689 VBPMGBOXPYMAMN-BBRMVZONSA-N 314.385 3.099 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN1C(=O)c1cccc(F)c1 20404121 IJEFMCMSFDTUKA-MRXNPFEDSA-N 312.344 3.069 0 40 DGAB C[C@H](NC(=O)c1ccsc1)c1ccc2c(c1)CCC(=O)N2 40553559 MFPALMKWIDDTPX-JTQLQIEISA-N 300.383 3.124 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1cccc(OC(F)F)c1 51304156 HNZOLTMDIHYLOZ-UHFFFAOYSA-N 310.300 3.223 0 40 DGAB O=C(O)c1ccccc1S[C@@H]1CCc2ccccc2NC1=O 20727208 DMYSJFHOULWIDY-OAHLLOKOSA-N 313.378 3.430 0 40 DGAB COc1ccc(CCC(=O)Nc2cccc(C(=O)O)c2C)cc1 21022857 VPXIBAJRKMTWIA-UHFFFAOYSA-N 313.353 3.273 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)NC[C@H]3CCCO3)ccc2c1 22620670 IWBRVNVVGSNMEX-SCLBCKFNSA-N 313.397 3.247 0 40 DGAB O=C(c1cncc(Br)c1)N1CCC[C@@H]1c1ccc[nH]1 42375571 JNAWRSAGCJANBI-CYBMUJFWSA-N 320.190 3.150 0 40 DGAB CCOC(=O)c1sc2nc(C)nc(N3CCCCC3)c2c1C 109719 XESMUJLLSGITLJ-UHFFFAOYSA-N 319.430 3.475 0 40 DGAB CCn1ncc(Cl)c1C(=O)Nc1ccc(OC)c(Cl)c1 2764385 HZEFWZXIPBDXHK-UHFFFAOYSA-N 314.172 3.471 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C 2781998 YWWOLPZOUCIVNW-YUSALJHKSA-N 317.355 3.466 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(F)cc2F)c1 3232603 JYPGZMNUQFYQED-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB CCOc1ccc(OCCOC(=O)c2ccc(C)cc2O)cc1 3494464 NTWVFXLPGDHJGP-UHFFFAOYSA-N 316.353 3.335 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)NC3CCCCC3)CC2=O)c(C)c1 4385220 QTYRAHKTBWHTRE-OAHLLOKOSA-N 314.429 3.105 0 40 DGAB CN1O[C@@H](COC(=O)c2ccc(F)cc2)C[C@H]1c1ccccc1 5913887 LTTXAJCOWRSHBG-SJORKVTESA-N 315.344 3.360 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccc(C)cc3C)C2=O)cc1 6284640 UUXYQVKWXYRPFZ-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB O=C(OCc1cn2cc(Cl)ccc2n1)c1ccc(Cl)nc1 6291811 RISPAXXCKGJKIE-UHFFFAOYSA-N 322.151 3.393 0 40 DGAB O=C(Cc1ccccc1F)OCC(=O)c1c[nH]c2ccccc12 6473714 CVCJJTVITMGEFQ-UHFFFAOYSA-N 311.312 3.276 0 40 DGAB CCOc1cc2c(cc1CNC(=O)c1ccccc1)O[C@H](C)C2 6789784 LHWYXBDUNOSCPK-CYBMUJFWSA-N 311.381 3.339 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3ccc(Cl)cc3)C2=O)cc1 7813558 BLFFBFUHLMMIIF-HNNXBMFYSA-N 314.772 3.392 0 40 DGAB CCc1ccccc1N1C[C@@H](C(=O)NC2CCCCC2)CC1=O 7881968 JFQDHAOVYOCQNI-HNNXBMFYSA-N 314.429 3.051 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(C)c(F)c1 8259943 SIHLXQYTKFQSEM-UHFFFAOYSA-N 315.344 3.492 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C(=O)c3ccco3)C(C)C)cc2c1 8964426 LABQUHJUMKQMJO-UHFFFAOYSA-N 324.380 3.480 0 40 DGAB CC(=O)c1cccc(NC(=O)CSc2nccn2C(C)C)c1 9116061 VDYQBNJGGGAWJL-UHFFFAOYSA-N 317.414 3.397 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2nonc2-c2ccccc2)c1 9205096 VTZQBFZAPKQEJQ-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1ccc(Cl)cc1N)NCC2 20458213 VUADPOYIHKDPEK-KRWDZBQOSA-N 318.804 3.175 0 40 DGAB C[C@H](NC(=O)NC1CCCCC1)c1ccc2c(c1)OCCO2 20537543 PIRDRYJTRVMREB-LBPRGKRZSA-N 304.390 3.151 0 40 DGAB Cn1ncc2c(SCc3cc(-c4ccccc4)no3)ncnc21 21755008 LJSSRBYBDVOMJF-UHFFFAOYSA-N 323.381 3.311 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2cccc(Nc3ncccn3)c2)C1 24490902 RJUPYTBEKIWQJR-KBPBESRZSA-N 310.401 3.338 0 40 DGAB O=C(c1cc(-c2ccco2)on1)N1CCO[C@H](c2ccccc2)C1 27914098 XAOXQFAEIQYTNS-KRWDZBQOSA-N 324.336 3.148 0 40 DGAB CS[C@@H](C)C(=O)N[C@H](C)c1ccccc1Br 31697418 VVNVXBJNMCMPKO-BDAKNGLRSA-N 302.237 3.378 0 40 DGAB CNC(=O)c1ccc(NC(=O)c2cccc3c2O[C@@H](C)[C@H]3C)cc1 32820179 FKBVCFZJBMYZCN-NEPJUHHUSA-N 324.380 3.183 0 40 DGAB Cc1c(Cl)c(CN2CCC[C@@H]2C(=O)O)nc2ccccc12 35302776 XMCBTRAVAXCUSE-CQSZACIVSA-N 304.777 3.246 0 40 DGAB CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccccc1 36616636 AYZINQPGUUJBGW-MRXNPFEDSA-N 308.385 3.158 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC[C@@H]1c1ccccc1 38540368 CALATTICCPJTQS-ZIAGYGMSSA-N 305.374 3.459 0 40 DGAB Cc1cc(NC(=O)CCN2CCC[C@H]2c2ccsc2)no1 40528263 SJRINRXYRSUBFW-ZDUSSCGKSA-N 305.403 3.210 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F 42646033 RTSGRIGKCUSBEE-JOYOIKCWSA-N 312.772 3.113 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2ccc3[nH]ncc3c2)cc1C 44562605 CRIYAJGKEBOCMD-UHFFFAOYSA-N 315.398 3.289 0 40 DGAB Cc1ccc(N[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c(C)c1 44871530 DBUVGQHKYFGJMV-CYBMUJFWSA-N 300.406 3.093 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@H]1c1cccs1 44892806 GRGAETKGVDUKOC-HNNXBMFYSA-N 317.458 3.395 0 40 DGAB CCOc1ncccc1NC(=O)N1CCC[C@@H]1c1cc(C)no1 44972756 NSXIJBZHMSCBQQ-CYBMUJFWSA-N 316.361 3.146 0 40 DGAB O=C([C@@H]1COc2ccccc2O1)N1CCC[C@@H]1c1ccsc1 46912791 FRQYIJRVMFSSOB-CJNGLKHVSA-N 315.394 3.252 0 40 DGAB c1coc(-c2nnc([C@H]3CCN(Cc4cccs4)C3)o2)c1 49169524 YRTFUGHUSCXAQD-NSHDSACASA-N 301.371 3.381 0 40 DGAB biogenic,in-vitro Cc1nc(C)c(CCNC(=O)Cc2ccc(Cl)cc2)s1 49703972 BIZSVOBNYHRLHE-UHFFFAOYSA-N 308.834 3.315 0 40 DGAB Cc1ccc(C[C@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)cc1 50767579 YLHDYOYXCVSYQE-SJLPKXTDSA-N 311.429 3.234 0 40 DGAB O=C(NCCN1CCCCC1)c1cc2cc(Cl)ccc2o1 52410865 HOYZVKWETBYRRZ-UHFFFAOYSA-N 306.793 3.302 0 40 DGAB Cc1noc(C2CCN(C(=O)c3cc(C)sc3C)CC2)n1 53448311 TTWWAZTYDPSIEB-UHFFFAOYSA-N 305.403 3.076 0 40 DGAB O=C(NCCCCN1CCCCC1=O)c1cccc2ccccc12 58101828 WRDMQISTMVYQDU-UHFFFAOYSA-N 324.424 3.362 0 40 DGAB COc1ccc([C@H]2CCN(C(=O)c3n[nH]c4ccccc34)C2)cc1 58246914 TZGPVLYPGAXLKX-AWEZNQCLSA-N 321.380 3.201 0 40 DGAB C[C@@H]1C[C@H](C(N)=O)c2ccccc2N1Cc1ccnc(Cl)c1 58424364 FAXWIBQLRJJTEB-RISCZKNCSA-N 315.804 3.103 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)C(=O)N(Cc1ccsc1)C1CC1 58706095 MSVYCTQEXBNHRB-LLVKDONJSA-N 317.458 3.393 0 40 DGAB CC(C)N(Cc1ccccc1)C(=O)[C@H](C)NC(=O)OC(C)(C)C 59855485 NIEOQYLLAPLYOS-AWEZNQCLSA-N 320.433 3.337 0 40 DGAB COc1cc(Cl)ccc1C(=O)N1CCC[C@H]1[C@@H]1CCCN1C 69697182 RSAYYYLRMFCXQR-GJZGRUSLSA-N 322.836 3.047 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2Cc2nc3ccccc3o2)c1 69818190 NOWVAFNKTGCUTH-HNNXBMFYSA-N 310.401 3.387 0 40 DGAB Cc1c([C@H](C)NC(=O)N2CCC[C@H](O)C2)oc2ccc(F)cc12 69897341 QACKCXCVSSCJNV-AAEUAGOBSA-N 320.364 3.108 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3cccc(C)n3)c2)C1 72365749 GBUKRANJFQWBEC-MRXNPFEDSA-N 310.401 3.255 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@@H](c1ccccc1)c1ccco1 72769291 LODYFTQUPJEXKL-SFHVURJKSA-N 310.353 3.333 0 40 DGAB COc1cccc(-c2noc(NC[C@H]3CSCCS3)n2)c1 75109958 SRIAJVROAXZEQG-LBPRGKRZSA-N 323.443 3.006 0 40 DGAB CC[C@H](c1ccncc1)N(CC)C(=O)Cc1cn2ccccc2n1 75143922 GQGAYHXJDRFWHD-QGZVFWFLSA-N 322.412 3.272 0 40 DGAB O=C(Nc1cc(F)c(F)c(F)c1)c1cc(=O)c2ccccc2o1 78125218 OLQHYIGXILDVTA-UHFFFAOYSA-N 319.238 3.463 0 40 DGAB O=C(COC[C@@H]1CCCO1)Nc1ccccc1SC(F)F 78680423 YRBOBBKEPSSNDY-JTQLQIEISA-N 317.357 3.135 0 40 DGAB O=C(c1ccc(Cl)s1)N1CCO[C@@H](Cc2ccccc2)C1 85473046 RXIYWDXBLMCFRQ-ZDUSSCGKSA-N 321.829 3.485 0 40 DGAB C[C@@H]1CCCC[C@@H]1OCCN1CCCN(CC(F)(F)F)CC1 89927796 BFBAKXMKZDHVNZ-CABCVRRESA-N 322.415 3.152 0 40 DGAB CC1(C)Cc2cccc(CNc3cnn(CC(F)F)c3)c2O1 90189774 PUCIWWJREIETGN-UHFFFAOYSA-N 307.344 3.474 0 40 DGAB Cc1ncc(CN2CCC[C@H](c3cn[nH]c3)C2)n1-c1ccccc1 92809816 GEFIMKWAJDHHBM-INIZCTEOSA-N 321.428 3.283 0 40 DGAB CCO[C@@H]1C[C@H](NC2CCC(O)(C(F)(F)F)CC2)C12CCC2 95423220 YERGNNIBUQSHJG-SBEAFCBVSA-N 321.383 3.160 0 40 DGAB CC(C)Oc1ncccc1NCc1ccc([S@](C)=O)cc1 95430856 QRXGVAGICOBKJS-OAQYLSRUSA-N 304.415 3.218 0 40 DGAB c1ccc(CN2CCC3(CCCN3Cc3cccnc3)CC2)nc1 96049318 FZLXOCLKNZBUPO-UHFFFAOYSA-N 322.456 3.107 0 40 DGAB CCO[C@@H]1CC[C@H]2[C@H]1OCCN2Cc1ccc2ccccc2n1 96065746 JCLFUEFPJKWIEH-IPMKNSEASA-N 312.413 3.003 0 40 DGAB Cn1cc(-c2nc(C[S@@](=O)CC3CCCCC3)cs2)cn1 96403880 DXRIHKDMMWNGIT-OAQYLSRUSA-N 323.487 3.373 0 40 DGAB CO[C@H](c1ccc(Cl)cc1)[C@H](C)NC(=O)c1cccnc1 96412199 TXSCASQGTGOAJV-NHYWBVRUSA-N 304.777 3.241 0 40 DGAB CN(C)C(=O)c1cccc(CNc2cc(CO)ccc2Cl)c1 96427503 CXDFBDFLRUQSFB-UHFFFAOYSA-N 318.804 3.146 0 40 DGAB C[C@@H](NC(=O)Nc1nccs1)c1ccc(-n2cccn2)cc1 96433660 OPDDSSVKIYBFLG-LLVKDONJSA-N 313.386 3.212 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@H]2CCC[C@@H]2CO)c1 96434802 ZYEVOKMUACRMIH-KYOSRNDESA-N 308.447 3.393 0 40 DGAB O=C(NCc1ccccn1)Nc1ccc(F)c(Br)c1 96435607 VDPLBTMNBNVOPD-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB COc1cc(Br)cc(C)c1NC(=O)CSC 96453155 MGKJVYRDYVJWMW-UHFFFAOYSA-N 304.209 3.068 0 40 DGAB Cc1ccc(-c2ocnc2C(=O)OCc2cncs2)cc1 97050207 FINRJQOLNSJKQE-UHFFFAOYSA-N 300.339 3.464 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](N[C@@H](C)c3ccccc3)C2=O)cc1 100865545 IUZKATVGXGGGGI-KBXCAEBGSA-N 322.408 3.232 0 40 DGAB C[C@H]1CCCN(C[C@H](O)CO[C@@H]2C[C@@H]3CC[C@]2(C)C3(C)C)C1 101213703 BVLSFULDXKLTNC-CWLGOENISA-N 309.494 3.311 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@H]1C(=O)Nc1ccc(Cl)cc1 102074706 AZBXIVTWOALLAH-QFEQQRJNSA-N 317.772 3.047 0 40 DGAB CC(=O)N1CCc2cc(NC(=O)C[C@@H]3C[C@H]4CC[C@H]3C4)ccc21 104251413 QWSGPQARCPHFNN-DZKIICNBSA-N 312.413 3.360 0 40 DGAB C[C@]12CC[C@H]3[C@@H](C(=O)C[C@H]4CCC(=O)C[C@]34C)[C@@H]1CC[C@@H]2O 118928330 PRCPAPQMRSUFRB-LMYJXFHDSA-N 304.430 3.138 0 40 DGAB CC(C)(C)OC(=O)NCc1cc(C(=O)N[C@H]2C=CCCC2)co1 188400830 IVPQZDHMAMRZMO-ZDUSSCGKSA-N 320.389 3.143 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)N1CCc2ccccc21 219555790 ZYIQLTPRAVSJLX-MRXNPFEDSA-N 311.381 3.442 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2NC(=S)Nc1ccncc1 225705818 YSUSWVLWHFOIGC-MRXNPFEDSA-N 313.426 3.454 0 40 DGAB O=C(NCCN1CCCCC1)c1ccc2nc(Cl)sc2c1 225975551 KRLGMXTUUKHHFE-UHFFFAOYSA-N 323.849 3.165 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCC[C@H](Cc2cccnc2)C1 257324423 WOPSPDDJIVFNPY-OAHLLOKOSA-N 320.396 3.053 0 40 DGAB COC(=O)c1cc(-c2ccc(Br)c(F)c2)on1 260051714 CVNPECBDEBTFRU-UHFFFAOYSA-N 300.083 3.030 0 40 DGAB CC(C)C[C@H](CN[C@H]1CCC[C@@H](c2cccnc2)C1)C(=O)O 263116207 ZPWNZKWCNTUBRC-OIISXLGYSA-N 304.434 3.444 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1F 409002559 OPTOYCOAULEYGV-AWEZNQCLSA-N 308.353 3.021 0 40 DGAB Cc1n[nH]cc1C1CCN(c2ncnc3c(F)cccc23)CC1 561322063 IBQWKUGDYRIYDD-UHFFFAOYSA-N 311.364 3.184 0 40 DGAB C[C@@H]1c2ccc(F)cc2CCN1C(=O)c1occ2c1CCOC2 585081848 LRFLRDYAXLBFNG-LLVKDONJSA-N 315.344 3.251 0 40 DGAB Cc1nc(N)c2c(C)c(C(=O)N3C[C@@H](C)CC[C@H]3C)sc2n1 1565995859 BHHFQOUAUTYSGR-DTWKUNHWSA-N 318.446 3.151 0 40 DGAB CO[C@@H](CNc1nccc(C(F)(F)F)n1)c1ccsc1 1775972433 GEPYDBBYTVYSCL-VIFPVBQESA-N 303.309 3.357 0 40 DGAB COc1ccc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)c1 64460 FVCLGIKIYIZQOE-UHFFFAOYSA-N 308.337 3.012 0 40 DGAB CC1=NN2[C@H](C1)c1ccccc1O[C@@]21C(=O)Nc2ccccc21 339874 IZQJQGFPFAKZIU-QAPCUYQASA-N 305.337 3.007 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1nc2ccc(F)cc2s1 558219 FGPXBQLRBSQPLD-UHFFFAOYSA-N 311.407 3.295 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(C)c2)cc1Cl 571930 BTGMNVCYIYHEAU-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 3348254 PSEFTFMFTDGLAT-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB COc1cc(C(=O)NCc2cccs2)cc(Cl)c1OC 3357775 PANAXKSEYPNFKH-UHFFFAOYSA-N 311.790 3.349 0 40 DGAB CCN1C(=O)S/C(=C\c2cccn2-c2ccc(O)cc2)C1=O 4107913 KKOUJBHEJDQKJV-UVTDQMKNSA-N 314.366 3.239 0 40 DGAB Cc1ccc(NCN2C(=O)[C@H]3[C@H]4CC[C@H](C4)[C@@H]3C2=O)cc1Cl 4175544 RMSHFGVVXREOHT-JLUCKKNBSA-N 318.804 3.049 0 40 DGAB Cc1ccc(-n2ncc3c(NCc4cccnc4)ncnc32)cc1 4322992 VPDAKPRRSIDBCR-UHFFFAOYSA-N 316.368 3.131 0 40 DGAB c1ccc2c3c([nH]c2c1)[C@H]1[C@H]2CC[C@H]([C@H]4CCCN[C@H]42)N1CC3 4364818 SBGPASZOVGSOFJ-XXECKMAJSA-N 307.441 3.228 0 40 DGAB CCOCCCNC(=O)c1csc(Nc2cccc(C)c2)n1 4688467 BAHKZXRJSVOOKV-UHFFFAOYSA-N 319.430 3.352 0 40 DGAB CCCCC(=O)Nc1cnc(NC(=O)c2ccco2)cc1C 4858243 WIFKSOCBPCMRQW-UHFFFAOYSA-N 301.346 3.364 0 40 DGAB O=C(Nc1ccc(Cl)cc1)Nc1ccc(O)c(C(=O)O)c1 5375241 OJPHTWWRSTZPNC-UHFFFAOYSA-N 306.705 3.388 0 40 DGAB Cc1cc(SCC(=O)NCC(F)(F)F)nc2ccccc12 6330604 SNAZHHWYBWPXDB-UHFFFAOYSA-N 314.332 3.314 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2ccc(Cl)cc2)cc1 7069697 ROIGBYCYMBCCIK-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB O=c1oc2ccccc2n1CN1CCC[C@H]1c1cccs1 7143615 PWZVDKIHEXJMGG-ZDUSSCGKSA-N 300.383 3.451 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c(C)c1 7548781 SCHMSYJHQNGVLS-AWEZNQCLSA-N 303.402 3.298 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2ccc(F)cc2)cc1 7661081 GQCFQJALROTKBQ-UHFFFAOYSA-N 304.390 3.500 0 40 DGAB Cc1sc(N2CCN(C)CC2)nc1-c1c[nH]c2ccccc12 7786794 ZAXOSEKSACNPJJ-UHFFFAOYSA-N 312.442 3.352 0 40 DGAB CCOc1ccccc1NC(=O)[C@H](C)N1CCc2ccccc2C1 8118333 NPTCIRVZASCPMW-HNNXBMFYSA-N 324.424 3.471 0 40 DGAB CCc1ccccc1NC(=O)CN(C)C(=O)C1CCCCC1 8423547 VNAFWXKGSDTCPC-UHFFFAOYSA-N 302.418 3.226 0 40 DGAB CC(=O)c1csc(NC(=O)COc2ccc(Cl)c(C)c2)n1 8769051 FEXAVAZBDZNGJH-UHFFFAOYSA-N 324.789 3.325 0 40 DGAB Cc1cccc(NC(=O)NC[C@H]2CC(=O)N(c3ccccc3)C2)c1 9038654 KSGJDXGUUIAPHB-OAHLLOKOSA-N 323.396 3.170 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)Nc1cc(F)cc(F)c1 9544524 ODAHGVFPAAVPFE-BJOHPYRUSA-N 305.280 3.132 0 40 DGAB NC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 9957739 PNMYETGGNPYVFF-MRXNPFEDSA-N 309.369 3.155 0 40 DGAB O=c1[nH]c(SCc2ccccc2F)nnc1-c1ccccc1 11990968 PAOPESVRQAUWCF-UHFFFAOYSA-N 313.357 3.263 0 40 DGAB CCOc1ccc2[nH]c3c(c2c1)CN(Cc1cncn1CC)CC3 12147170 RWRCYKKDPXDCJR-UHFFFAOYSA-N 324.428 3.341 0 40 DGAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(C)cc2)n1 12312081 VHCCZIAODFKRCW-UHFFFAOYSA-N 302.399 3.006 0 40 DGAB O=C(NCC1CC1)c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O 12928723 DBLIEOGDEDHFBY-GOSISDBHSA-N 321.376 3.281 0 40 DGAB COc1ccc(C(=O)Nc2cc(C(=O)O)ccc2Cl)cc1 13167563 OCJQMYKXVFRIFV-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB in-vitro O=C(c1ccco1)N1CCC[C@@H](n2cnc3cc(F)ccc32)C1 13266361 XWNVXHJTQRFCQY-CYBMUJFWSA-N 313.332 3.246 0 40 DGAB COc1ccc(C(=O)NCCc2cccc(Cl)c2)c(O)c1 18105111 LRUOKPMJDCLPDZ-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB Cc1ccc(OCC(=O)Nc2noc(-c3ccc(C)cc3)n2)cc1 21800468 KTWSZMYOWJIZOW-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1cccc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1C 22027911 HICHZMKYLBHYOT-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB C[C@@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2ccccc2F)o1 22246174 VLNNTHJNUDHDEB-YPMHNXCESA-N 323.389 3.363 0 40 DGAB Cc1cc(C)n2ncc(C(=O)N(Cc3ccccc3)C3CC3)c2n1 24472609 RGHBTLPHXVAAEH-UHFFFAOYSA-N 320.396 3.151 0 40 DGAB CCOc1ccc(C(=O)O)cc1COc1ccccc1OC 24549245 ZLJNNDPFCFJDLX-UHFFFAOYSA-N 302.326 3.371 0 40 DGAB CCN(C(=O)COc1ccccc1NC(C)=O)C1=CCCCC1 26857079 ZLQVGUAKJKSMHY-UHFFFAOYSA-N 316.401 3.330 0 40 DGAB COC(=O)N[C@@H](Nc1ccccc1Cl)C(=O)c1ccccc1 26967005 AIXANSLGJSNSMH-OAHLLOKOSA-N 318.760 3.317 0 40 DGAB Cc1nc(CCNC(=O)c2ccc(OC(C)C)cc2)cs1 27793434 JUMXATAQWXRHNO-UHFFFAOYSA-N 304.415 3.211 0 40 DGAB Cc1cc(C(F)(F)F)nn1CCC(=O)N1CCCCCC1 28234643 YQODXUYHWRXQPT-UHFFFAOYSA-N 303.328 3.003 0 40 DGAB Cc1ccc(C(=O)NCCc2ccc(C(F)(F)F)cc2)n1C 31336057 RPZLFTJXIRHOLV-UHFFFAOYSA-N 310.319 3.325 0 40 DGAB O=C(Cc1ccc(-n2cccc2)cc1)Nc1nnc(C2CC2)s1 36390655 LRAWMIVOIVJISI-UHFFFAOYSA-N 324.409 3.387 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)NCc2ccc(C)s2)n1 40145404 PTTYBFGTEXJBHO-NSHDSACASA-N 320.462 3.005 0 40 DGAB CCN(C(=O)CSc1nnc2ccccn12)C1=CCCCC1 40462452 RSVORPNOJVVBSD-UHFFFAOYSA-N 316.430 3.128 0 40 DGAB O=C(NCc1nnc2n1CCC2)c1ccc(C2CCCCC2)cc1 40480501 ADNKARLGRNTLDZ-UHFFFAOYSA-N 324.428 3.202 0 40 DGAB Cc1oc(-c2ccc(Cl)cc2)nc1C(=O)NC1=NCCS1 40488710 HMXCWCCWWOWQJR-UHFFFAOYSA-N 321.789 3.136 0 40 DGAB Cc1ccc(C(=O)N2c3ccccc3[C@@H](C(N)=O)C[C@@H]2C)s1 40498607 HEUQQBMSZHBCFH-GWCFXTLKSA-N 314.410 3.064 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CCCc1nc(C(C)(C)C)no1 40516101 IBLNDFSOCJLKRC-CHWSQXEVSA-N 307.438 3.385 0 40 DGAB Cc1ccccc1Cc1cnc(NC(=O)c2cnccn2)s1 40535917 FHRFZMAXYVCQST-UHFFFAOYSA-N 310.382 3.085 0 40 DGAB CC(C)Cc1noc([C@@H]2CCCCN2C(=O)c2ccco2)n1 41123408 PFUZRQYUKVWTQF-LBPRGKRZSA-N 303.362 3.229 0 40 DGAB COc1cccc(OC)c1C(=O)c1ccc(C2OCCO2)s1 43210447 RKGBBCPUJWQBRI-UHFFFAOYSA-N 320.366 3.042 0 40 DGAB Cc1ccc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)c(C)n1 51326855 FEPPEYPGGIMSAK-IBGZPJMESA-N 324.424 3.284 0 40 DGAB Cc1ccccc1NC(=O)N[C@@H](C)CN1C[C@@H](C)C[C@@H](C)C1 56519859 PQLRPXQFTIYGNH-LZWOXQAQSA-N 303.450 3.483 0 40 DGAB C[C@@H](N[C@@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 57574291 PQVWAGMCXKFIIG-FZKQIMNGSA-N 312.388 3.496 0 40 DGAB Cc1cc(CN(C)C(=O)Cc2cc(Cl)ccc2Cl)no1 58265922 YPRRVQFLTNYLCI-UHFFFAOYSA-N 313.184 3.491 0 40 DGAB CCCN(CCC)C(=O)[C@@]12CCC(=O)N1c1ccccc1S2 58592016 ZOGZJUQLGJDSPK-KRWDZBQOSA-N 318.442 3.264 0 40 DGAB CN[C@H](C(=O)c1ccccc1)[C@H](OC)c1ccc(Cl)cc1 61886119 KHCZBRQXKFBDLU-NVXWUHKLSA-N 303.789 3.498 0 40 DGAB C[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)C[C@H](c2ccccc2)O1 67591096 XYRKAOROPKJVJK-CXAGYDPISA-N 314.429 3.347 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@@H](C)c1cc2ccccc2o1 69415449 MBFHKIJBFWTPHO-YDHLFZDLSA-N 317.385 3.194 0 40 DGAB Cc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1F 69418345 BOJKXVRIEYFGCZ-UHFFFAOYSA-N 324.359 3.221 0 40 DGAB CCc1ccc([C@@H](NC(=O)CCCn2cncn2)C(C)C)cc1 69653813 PKZDMXYWVUTUNF-SFHVURJKSA-N 314.433 3.134 0 40 DGAB C[C@H]1Cc2ccccc2N(C(=O)c2cc3ccccc3c(=O)[nH]2)C1 69697818 CEQSXNIWRNNCOA-ZDUSSCGKSA-N 318.376 3.367 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@H]1CCCO1)N1CCCC1 71886624 KYABKCOEQBSQAM-CYBMUJFWSA-N 308.353 3.011 0 40 DGAB Cn1ncc2c(SCCOC3CCCCCC3)ncnc21 71911298 IGQLBYIEOBIQOE-UHFFFAOYSA-N 306.435 3.195 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccnc(C)c2)cc1 72219467 LACXFIYIKHRGOO-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB COc1ccccc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 72298866 BIQJDFJATTWHFT-ZDUSSCGKSA-N 316.426 3.480 0 40 DGAB O=C(c1cncs1)N1CC[C@@H](Cc2cncc3ccccc23)C1 72368461 BSJLFHZUHNKEJB-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB O=C1CCCN1c1ccc(NCCOc2ccc(F)cc2)cc1 72889852 DBYIVOHRVCKWAG-UHFFFAOYSA-N 314.360 3.443 0 40 DGAB Cc1cccc(-c2noc(Cn3nccc3-c3ccncc3)n2)c1 75142470 SMAHZKIEOWTAMT-UHFFFAOYSA-N 317.352 3.352 0 40 DGAB COc1ccc(CCNCc2ccc(Cl)nc2)cc1OC 75572234 KEEYCIUPGVSBDL-UHFFFAOYSA-N 306.793 3.085 0 40 DGAB O=C(c1ccoc1)N1CCC(Nc2ncc(Cl)cc2F)CC1 79295058 YBASWJPYIDMEIH-UHFFFAOYSA-N 323.755 3.184 0 40 DGAB Cc1cc(CC(=O)N[C@@H]2c3cccc(F)c3CC[C@H]2C)no1 79712619 PVLXFOJRZFLSOS-QGHHPUGFSA-N 302.349 3.104 0 40 DGAB Cc1ccc(C[C@@H]2CCCN([C@H](C(N)=O)c3ccccc3)C2)cc1 84148784 FXQKLJFGBGTUDV-ICSRJNTNSA-N 322.452 3.476 0 40 DGAB CC(C)N(C)C(=O)NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F 86402910 GQVAYLNDQAGFSP-RYUDHWBXSA-N 310.360 3.174 0 40 DGAB O=C(NCC1CCSCC1)c1c[nH]nc1-c1ccccc1F 87357819 NPQGIMYQPWNADW-UHFFFAOYSA-N 319.405 3.089 0 40 DGAB O=C(Cc1cn2ccsc2n1)N[C@@H]1CCC[C@H](C2CC2)C1 89885406 IFOQSOYQOUHUSC-QWHCGFSZSA-N 303.431 3.023 0 40 DGAB CC(C)(C)OC(=O)N1CCc2nc(C(F)(F)F)ccc2C1 91352994 ANFYGRXZEODWMT-UHFFFAOYSA-N 302.296 3.394 0 40 DGAB CSCc1cc(NC(=O)N(C)CC(C)(C)O)ccc1Cl 95409309 XNTYFOILRIMZQC-UHFFFAOYSA-N 316.854 3.438 0 40 DGAB C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc(Cl)s1 95968936 ZHRSXMYECVGGOJ-LBPRGKRZSA-N 315.914 3.078 0 40 DGAB Fc1cccc(CNc2nnc([C@@H]3Cc4ccccc4O3)o2)c1 95990061 SRLKKZGHNJYMBT-HNNXBMFYSA-N 311.316 3.497 0 40 DGAB Cc1ccsc1CN1CC[C@]2(C[C@@H](OCC3CC3)CO2)C1 96107715 AFWKEIRLIQZGDZ-WBVHZDCISA-N 307.459 3.217 0 40 DGAB CCOC(=O)CN(C(=O)c1ncoc1C(C)C)C1CCCCC1 96412053 FXPQINQWERERLK-UHFFFAOYSA-N 322.405 3.136 0 40 DGAB CC[C@@](C)(NC(=O)c1ccc(COC)cc1)c1nccs1 96416617 GJTQHKIXFYBAPB-MRXNPFEDSA-N 304.415 3.345 0 40 DGAB COc1ccc(C(=O)N[C@H](c2nc(C)cs2)C2CC2)cc1 96425467 QGCSRBZMAWGKFY-AWEZNQCLSA-N 302.399 3.341 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)N2CCN(C3CC3)CC2)c1 96434807 GRPUHOMYYOZIFD-ZDUSSCGKSA-N 319.474 3.423 0 40 DGAB Cc1ccc(CNC(=O)N2CCC(OCC3CC3)CC2)s1 96439109 FZYWVOQLCBSICL-UHFFFAOYSA-N 308.447 3.157 0 40 DGAB CCOc1cc(C(=O)N(C)C)ccc1NCc1ccc(C)o1 97051392 GSHWZQNERYQHFG-UHFFFAOYSA-N 302.374 3.301 0 40 DGAB COc1ccc(F)c(NC(=O)N(C[C@H](C)O)C2CCCCC2)c1 97113361 BFSKEWWTBYTKEJ-LBPRGKRZSA-N 324.396 3.382 0 40 DGAB Cc1csc([C@@H]2CN(CCCc3ccccc3)CCO2)n1 97199602 CYWLWBXBEBVPEJ-INIZCTEOSA-N 302.443 3.458 0 40 DGAB COc1ccc([C@H]2C=C(c3ccc(C)cc3)Nc3nnnn32)cc1 101028797 WSKJBUIJNZMJNE-QGZVFWFLSA-N 319.368 3.046 0 40 DGAB COc1ccc(N2C(=O)C[C@H](Nc3ccc(C)cc3C)C2=O)cc1 101275959 ONKGOKQJBXHXEM-KRWDZBQOSA-N 324.380 3.056 0 40 DGAB COc1ccc(SCC(=O)N[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 138165038 KEMKNYHUDSMERR-BZPMIXESSA-N 321.442 3.101 0 40 DGAB COc1ccccc1-c1nnc(CN[C@H]2CCCC[C@H]2C)o1 162408613 CRWYEIAFULYWPF-OCCSQVGLSA-N 301.390 3.414 0 40 DGAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1ccc(OC)cc1 199524967 MQQWZLZPWLVGQL-ZDUSSCGKSA-N 316.290 3.175 0 40 DGAB Cc1cc(Br)cnc1NC(=S)NC1CCCC1 224034092 NCOUWUOQBCHEQR-UHFFFAOYSA-N 314.252 3.382 0 40 DGAB COc1ccccc1O[C@H](Cc1cccc(C)c1C)C(=O)O 225023143 NQLHYGWARCWXJQ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1ccccc1Nc1ccc(C(=O)N2CCCC2)cc1N 225429969 UWKQYMMTQUKCIF-UHFFFAOYSA-N 311.385 3.257 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccc(-c3ccc(C(=O)O)cc3)cn2)C1 257228301 FTIILUTVTWTICV-QGZVFWFLSA-N 324.380 3.173 0 40 DGAB c1ccc(C[C@H]2CC3(CCN(C4CCOCC4)CC3)CO2)cc1 257320960 VZMMNJDLBJZOKR-IBGZPJMESA-N 315.457 3.279 0 40 DGAB CC1(c2nccs2)CCN(C(=O)CC2(O)CCCCC2)CC1 257328734 XGWKZDWPHYIYBW-UHFFFAOYSA-N 322.474 3.109 0 40 DGAB Cc1ccc(OC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1C 408674405 ZJICZERQTDRPGB-OAHLLOKOSA-N 309.365 3.262 0 40 DGAB Cc1noc(C)c1CC(=O)NCc1ccc(-c2cccs2)o1 575608739 KLYCOJHVIPXMRA-UHFFFAOYSA-N 316.382 3.472 0 40 DGAB CCOCC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2o1 585087717 KNVULXCHWXQXIJ-MRXNPFEDSA-N 324.380 3.264 0 40 DGAB Cc1ccccc1NC(=O)NC[C@]1(O)CCCc2sccc21 1889139298 XPXWDCSVPRYYOO-QGZVFWFLSA-N 316.426 3.402 0 40 DGAB CC(C)c1nsc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)n1 2087131225 IUDFBVBSJCNTNR-LBPRGKRZSA-N 324.494 3.135 0 40 DGAB Cc1nc2ccccc2nc1N1CC(Cn2ccnc2C(C)C)C1 2087145836 TWLFXQQNQHMLOK-UHFFFAOYSA-N 321.428 3.395 0 40 DGAB CC(=O)n1cc([C@@H]2C(=O)Oc3ccccc3C2=O)c2ccccc21 518133 GTJORMGEUQRCAP-KRWDZBQOSA-N 319.316 3.187 0 40 DGAB biogenic CCN(CC)CCOC(=O)COc1ccc2ccccc2c1 1718375 HRMLQGPRKCBIJH-UHFFFAOYSA-N 301.386 3.104 0 40 DGAB O=C(CSc1nc2cc(Cl)ccc2o1)NCC(F)(F)F 2647262 BWGYDIKSWMXXLC-UHFFFAOYSA-N 324.711 3.252 0 40 DGAB Cc1ccn(CCC(=O)Nc2nc3c(C)cccc3s2)n1 2787449 LBCIQJFNYVMEOA-UHFFFAOYSA-N 300.387 3.138 0 40 DGAB CCn1c(SCC(=O)NCCC(C)C)nc2ccccc21 4484464 ULJKFYPEGABHRV-UHFFFAOYSA-N 305.447 3.311 0 40 DGAB CCn1c(CC(=O)Nc2ccc(C)c(Cl)c2)n[nH]c1=S 4739068 KJMNKIGRZPGOIF-UHFFFAOYSA-N 310.810 3.104 0 40 DGAB Cc1ccc(-c2cc(=O)n3c(-c4ccncc4)nnc3s2)cc1 4751706 LZQHEDRIAOVBKJ-UHFFFAOYSA-N 320.377 3.188 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 4975894 HKWHOVYWOKNDRY-GFCCVEGCSA-N 320.820 3.378 0 40 DGAB CC(C)(C)C(=O)Nc1ccc2c(c1)CCCN2C(=O)C1CC1 5373867 GKSWKIJYDCPHIG-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB Cc1ccc(/C=C/C(=O)O[C@@H](C(=O)N(C)C)c2ccccc2)cc1 5505299 JRTYNVPIHRLXGX-JKIKYLSZSA-N 323.392 3.381 0 40 DGAB CCOc1ccc([C@H](CC(=O)O)NC(=O)c2ccccc2)cc1 5686506 PSIQYMQAEJPPNC-INIZCTEOSA-N 313.353 3.031 0 40 DGAB COC(=O)[C@H](C)Sc1nc(C)cc(Nc2ccccc2)n1 5739962 SJXXYQOBMOLQOA-NSHDSACASA-N 303.387 3.182 0 40 DGAB Cc1c(C)n(CC(C)C)c2ncn(-c3nccs3)c(=N)c12 6719527 DQENYACEWNELLT-UHFFFAOYSA-N 301.419 3.036 0 40 DGAB Cc1ccc(SCC(=O)Nc2c(C)nn(C)c2C)cc1C 7147808 QANWXGAWLFIPSP-UHFFFAOYSA-N 303.431 3.385 0 40 DGAB Cc1cc(C)cc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c1 7882570 JDTZFTIILDYMLZ-HNNXBMFYSA-N 308.381 3.295 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N1CCC[C@@H]1c1cccs1 8076164 DFWIXVPKYBQUCD-IUODEOHRSA-N 315.394 3.252 0 40 DGAB COc1ccc(C)cc1[C@H](C)NC(=O)CCc1c(C)noc1C 8128845 RJEIHJASCITTTC-LBPRGKRZSA-N 316.401 3.418 0 40 DGAB C=C1c2ccccc2N=C(S[C@@H](C)C(=O)N2CCCC2)N1C 8393870 VOPXEIUXKPROEA-ZDUSSCGKSA-N 315.442 3.334 0 40 DGAB C[C@H](NC(=O)Nc1ccc(Cl)cc1)[C@H](O)c1ccc(O)cc1 8726669 VWQBJYJUUZSDEU-BONVTDFDSA-N 320.776 3.289 0 40 DGAB Cc1noc(C)c1C(=O)NCC1(N2CCCCC2)CCCCC1 8745468 KIHAHUJBSJTYRU-UHFFFAOYSA-N 319.449 3.210 0 40 DGAB O=C(CCc1cccs1)Nc1cccc(C(=O)NC2CC2)c1 8772157 PRWZXRLGHVDYJN-UHFFFAOYSA-N 314.410 3.212 0 40 DGAB Cc1nc(COc2ccc(C(=O)Oc3ccccc3)cc2)no1 8980590 PBVDGAVZSFMWSE-UHFFFAOYSA-N 310.309 3.176 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Oc1ccccc1Cl 9478254 YQTZTAVCCPBCLO-GFCCVEGCSA-N 319.788 3.432 0 40 DGAB C[C@@H](Nc1nc2ccccc2s1)C(=O)NCc1ccccc1 9908800 KAYNTGGULWREQL-GFCCVEGCSA-N 311.410 3.413 0 40 DGAB NC(=O)c1cccc(NC(=O)Cc2ccc(Cl)cc2Cl)c1 9950795 DUQIIGHQVOWPFH-UHFFFAOYSA-N 323.179 3.274 0 40 DGAB Cc1ccc(/C=C/C(=O)NCCCN2CCC(C)CC2)cc1 10540326 ARBDISNTGOYNSP-CMDGGOBGSA-N 300.446 3.246 0 40 DGAB Cc1ccc(-n2ccc(=O)c(C(=O)Nc3ccccc3C)n2)cc1 12111347 NGYTVRFWNPQZDW-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CCCN2C(=O)c2ccco2)c1C 12748922 DKBTTXRKYNKVEM-HNNXBMFYSA-N 312.369 3.140 0 40 DGAB COc1ccc(OC)c([C@H](C)NC(=O)Cc2ccc(F)cc2)c1 12971256 UKVMXTQGPRIHAB-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB C[C@H]1C[C@H](C)CN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 13040391 MFGURFUNWWVTSX-QWRGUYRKSA-N 305.809 3.467 0 40 DGAB O=C(O)c1ccc(CCNC(=O)c2c(F)cccc2Cl)cc1 13442471 KMBHMUTZYJRAJF-UHFFFAOYSA-N 321.735 3.150 0 40 DGAB Cc1ccc(C)c(O[C@@H](C)C(=O)Nc2ccc(C(=O)O)cc2)c1 13710903 XKSUCKFUQPVSSE-ZDUSSCGKSA-N 313.353 3.408 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(-c3cccnc3)no2)cc1C 13845325 UARQMBZUDVTHMK-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB COc1ccc([C@@H]2CC(=O)c3c(OC)cc(O)cc3O2)cc1 14806846 KFGFEKHSEPSVNO-AWEZNQCLSA-N 300.310 3.116 0 40 DGAB biogenic Cc1cccc(OCC(=O)Nc2ccc3nsnc3c2)c1C 15841276 FJWVLJSGYJIPGV-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)c(C)c2)c1C 21312683 ZCMARXZXANMBOG-LICLKQGHSA-N 307.397 3.364 0 40 DGAB COc1ccc(-c2cc(C(=O)Nc3nccs3)no2)cc1 21786528 DYISMKOMTNWSFC-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB CN(C)C(=O)CCN1CCc2sccc2[C@H]1c1ccccc1 25946060 HIKLHVBPLMHWTC-GOSISDBHSA-N 314.454 3.174 0 40 DGAB COC(=O)c1ccc(CNC(=O)NCCC2=CCCCC2)cc1 27332067 HRONNRMYPWMBQW-UHFFFAOYSA-N 316.401 3.163 0 40 DGAB CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)OCC)C[C@H]1C(C)C 30882343 VCPVFLSRQNWJHY-JYJNAYRXSA-N 324.465 3.113 0 40 DGAB biogenic,in-vitro CN(Cc1cccs1)C(=O)c1cc(Cl)c2c(c1)OCO2 31345882 NWKCAIXLIAUYMQ-UHFFFAOYSA-N 309.774 3.402 0 40 DGAB Cc1cc2c(nc1C)oc1c(=O)n(Cc3ccc(F)cc3)cnc12 32073841 HWNKZOBDOZILFH-UHFFFAOYSA-N 323.327 3.342 0 40 DGAB CN(C)C(=O)c1cccnc1Oc1ccc(Br)cc1 33224749 BPVICAFNYGEINE-UHFFFAOYSA-N 321.174 3.338 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CC(c2cccc(F)c2)=NO1 36760385 YYEDCKALPAYBNP-OAHLLOKOSA-N 320.270 3.236 0 40 DGAB O=C(O)CN(Cc1ccccc1Br)C1CCCC1 37596939 LRNCZEKDMREIIA-UHFFFAOYSA-N 312.207 3.278 0 40 DGAB C[C@H](C(=O)Nc1ccc(Cl)cn1)N1CCc2ccccc2C1 39983765 TYBFCBPKNAVNQS-GFCCVEGCSA-N 315.804 3.120 0 40 DGAB CCc1ccc(OC(=O)c2ccc(C)c(S(C)(=O)=O)c2)cc1 40140303 VCRHZWMZAHUIMA-UHFFFAOYSA-N 318.394 3.180 0 40 DGAB O=C(NCCCOCc1ccccc1)c1c(F)cccc1F 41837647 DCGUFVJTZIMEBD-UHFFFAOYSA-N 305.324 3.302 0 40 DGAB O=C(CNC(=O)C1CC1)Nc1ccc2c(c1)oc1ccccc12 43048914 SUPOGGVPKSGTLZ-UHFFFAOYSA-N 308.337 3.051 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H]1Cc1cccc(F)c1 46626807 RFCUSXYXDJDBPL-IRXDYDNUSA-N 305.393 3.318 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)o1 48262314 BWXURKRRDOFSJC-XJKSGUPXSA-N 323.396 3.043 0 40 DGAB O=C(CN1CCC[C@H]1CCc1ccccc1)N1CCCCC1 48324378 DJGAWTFATOXMJW-SFHVURJKSA-N 300.446 3.096 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1nc(-c2cccs2)oc1C 48429220 KPDQMMCXALVBMA-GFCCVEGCSA-N 320.414 3.210 0 40 DGAB CC(C)CCc1noc(CNc2ccc(C(N)=O)c(Cl)c2)n1 58244503 HOGCSDODSFSJCU-UHFFFAOYSA-N 322.796 3.023 0 40 DGAB COc1ccc([C@H](C)N(C)C(=O)c2c[nH]c3ncccc23)cc1 64802494 SALIPZJUHZJIQQ-LBPRGKRZSA-N 309.369 3.405 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)N1CCN(C(=O)c2ccoc2)CC1 65474661 YJXCAKGTUVXYBF-LBPRGKRZSA-N 320.339 3.077 0 40 DGAB c1ccc(-c2csc(CN[C@H]3CCc4ncnn4C3)c2)cc1 69491548 QYVIFOHDTMKHFZ-HNNXBMFYSA-N 310.426 3.111 0 40 DGAB CCn1nc(C)cc1C(=O)N1CCCc2cc(F)c(F)cc21 69528592 IKHDAOVGSDHIHE-UHFFFAOYSA-N 305.328 3.083 0 40 DGAB CC[C@@H](c1ccccc1)[C@@H]1CCCN1C(=O)CCOCCOC 69569898 DXMSZSVQBGTWTD-ROUUACIJSA-N 319.445 3.224 0 40 DGAB O=C(Nc1ccc(Oc2ccc(F)cc2)cn1)[C@H]1CCCO1 69580786 FDQPTIRSDLPHBF-CQSZACIVSA-N 302.305 3.131 0 40 DGAB COc1cccc(N2C(=O)c3ccccc3N[C@H]2c2ncc[nH]2)c1 69900629 ARSDTFKZCFQDFZ-QGZVFWFLSA-N 320.352 3.189 0 40 DGAB Cn1cnc2cc(OC(=O)c3ccc4ncsc4c3)ccc21 70974047 UIHJZXCGKXIWFY-UHFFFAOYSA-N 309.350 3.402 0 40 DGAB Cc1nc(C(=O)N2CCC([C@@H](O)c3ccccc3)CC2)cs1 71834651 HTFPSNXTENXJMN-INIZCTEOSA-N 316.426 3.037 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)[C@@H]2CC=CCC2)n1 71865476 SBITXTYZIBNJQI-IAGOWNOFSA-N 301.434 3.237 0 40 DGAB [O-][n+]1ccccc1SCc1nn(-c2ccccc2)c2c1CCC2 72052192 MBHAWNODEXHDNG-UHFFFAOYSA-N 323.421 3.287 0 40 DGAB COc1c([C@H]2CCCN2c2cnc3ccccc3n2)c(C)nn1C 72276576 UHDRZXUUUPOALI-OAHLLOKOSA-N 323.400 3.022 0 40 DGAB CS[C@H]1CCC[C@H](NC(=O)c2ccc(F)c(NC(C)=O)c2)C1 72287118 BEXXSEKTKUWGPF-STQMWFEESA-N 324.421 3.188 0 40 DGAB Cc1ccc(N2CCN(C(=O)c3cc(F)ccc3F)CC2)cc1 72331370 HAKWPDHUTGEDLU-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB CSc1cccc(NC(=O)COc2cccc([C@@H](C)O)c2)c1 75094578 UMQSKGXNHDLQGQ-GFCCVEGCSA-N 317.410 3.479 0 40 DGAB C[C@H](CNC(=O)N1CCC(OCC2CC2)CC1)c1cccs1 76088540 BYLYWTSPIWIUHI-CYBMUJFWSA-N 322.474 3.452 0 40 DGAB CCOc1ccc(NC(=O)NCC[C@H](O)c2cccs2)cc1 77116037 CNGNYRXEALUDGH-AWEZNQCLSA-N 320.414 3.392 0 40 DGAB CN1CCC[C@H](NC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)C1 84284543 QDLXGICEXWUQNH-HNNXBMFYSA-N 313.445 3.289 0 40 DGAB Cc1nc(CNC(=O)C23CC4CC(CC(C4)C2)C3)c2ccccn12 89708972 IHSCOOFVCPAGMZ-UHFFFAOYSA-N 323.440 3.475 0 40 DGAB CCCc1ccc(S(=O)(=O)Nc2c(F)cccc2CO)cc1 89960460 HKUGEYZFXDRUKL-UHFFFAOYSA-N 323.389 3.071 0 40 DGAB Cc1cc(C)c(NC(=O)c2ccc(OCC(F)F)nc2)c(C)n1 90467524 ABBRVDXGROYZFI-UHFFFAOYSA-N 321.327 3.298 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3cnn(C(C)C)c3C)c2)n[nH]1 92309389 MSXCPGXCIVZBNV-UHFFFAOYSA-N 324.388 3.118 0 40 DGAB CC[C@@H]1CN(C(=O)c2cc(C(F)(F)F)ccc2F)CCO1 94597636 KAROFDYSRCUVMZ-SNVBAGLBSA-N 305.271 3.096 0 40 DGAB CC1(C)[C@H]2OCC[C@H]2[C@H]1NC(=O)c1ccccc1OCC1CC1 95400461 KRWYGGDFVNVGOG-UAGQMJEPSA-N 315.413 3.019 0 40 DGAB Cc1ccc2c(c1)[C@@H](NCc1cccc(Cn3cncn3)c1)CC2 95420116 AZHCGXLAQPPYCT-FQEVSTJZSA-N 318.424 3.412 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2NCCCO[C@H]1CCOC1 95423737 RLGZRDYXYHHJKP-RDJZCZTQSA-N 317.429 3.218 0 40 DGAB O=C(NCc1ccon1)c1cc(-c2ccccn2)ccc1Cl 95437514 KTTDNZQNUZETTG-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB CCN(C)CCN(CC)c1cc(Br)ccc1F 95915617 LKGATAYJHUMBRW-UHFFFAOYSA-N 303.219 3.366 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)cc2)cc1 96103297 VPKZOXDMDNKZEY-HNNXBMFYSA-N 320.389 3.403 0 40 DGAB Cc1nc(CO[C@H]2CCNC[C@@H]2Cc2ccccc2)cs1 96220268 XOVCUXZRXALWRH-RDJZCZTQSA-N 302.443 3.189 0 40 DGAB CC(C)(C)C1=N/C(=C\c2c(Cl)nc3sccn23)C(=O)O1 96310826 MKEMMJBZNMOYIG-SREVYHEPSA-N 309.778 3.392 0 40 DGAB CCCCO[C@@H]1C[C@@H](NC(=O)c2cccnc2S)C1(C)C 96451586 VWCKTJSUPRIQMN-CHWSQXEVSA-N 308.447 3.084 0 40 DGAB CC[C@@](C)(CC(=O)O)NC(=O)[C@H](C)c1cc2ccccc2o1 97035684 OHIZMPYOYNXMHC-DIFFPNOSSA-N 303.358 3.296 0 40 DGAB CC(=O)c1ccc(S(C)(=O)=O)c(N[C@H](C)c2ccco2)c1 97082354 NTHVKNSQZGVEFS-SNVBAGLBSA-N 307.371 3.059 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)N2CCC[C@H]2C(C)(C)O)cc1F 97114686 HKKZLMGUYQMPAW-DOMZBBRYSA-N 308.397 3.140 0 40 DGAB Cc1nn(C(C)(C)C)cc1[C@@H](C)NC(=O)NCc1ccco1 97146862 HXPMYGCNSLALCP-LLVKDONJSA-N 304.394 3.100 0 40 DGAB CC[C@H](C)OCC(=O)N[C@@H](C)c1nc2cc(Cl)ccc2[nH]1 97229536 PFZHQNFKTXDESN-UWVGGRQHSA-N 309.797 3.209 0 40 DGAB CN[C@H]1CC[C@H](N(C(=O)OCc2ccccc2)C2CC2)CC1 100178408 FBVFIVBMNRYTNA-IYBDPMFKSA-N 302.418 3.318 0 40 DGAB COc1cc([C@@H]2C[C@]3(C)OC(=O)[C@@H]2C[C@H]3C)cc(OC)c1OC 100400411 BFQBLOYFZKCMNH-OVNJVVJPSA-N 320.385 3.158 0 40 DGAB COc1cccc([C@H]2C=C(c3ccc(F)cc3)Nc3ncnn32)c1 100892683 WUXDTOSTGCQZDK-QGZVFWFLSA-N 322.343 3.482 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3cccc(F)c3)C2=O)c1C 101275303 QEYWEYIGRAWXPY-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1ccc(N2CCCC2)nc1 104723818 VMCGFUQZRRTJMS-BHYGNILZSA-N 313.445 3.124 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)s1 104811770 ILKHTYLXMMANEQ-LPTSXCQYSA-N 306.431 3.261 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)N[C@H](C)Cc1ccco1 107320331 GLBHHTSHJNGBPQ-UHOFOFEASA-N 314.385 3.075 0 40 DGAB CO[C@@H]1CCCC[C@@H]1NC(=O)N(C1CC1)[C@H](C)c1ccco1 108355057 BBFCIWJQOCTEIR-IVMMDQJWSA-N 306.406 3.472 0 40 DGAB COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1C(=O)c1ccc(C)s1 109005902 ZINGKEJQYJJENF-AGIUHOORSA-N 307.415 3.003 0 40 DGAB CO[C@@H]1CCCC[C@H]1N[C@H](C)CC(=O)Nc1ccccc1C 110688423 VJVNDDABPNKQBI-DJIMGWMZSA-N 304.434 3.259 0 40 DGAB CCOc1ccc(CNC(=O)[C@H](C)Oc2ccccc2C)cc1 113948443 QNFOFSJWWWCPEH-HNNXBMFYSA-N 313.397 3.477 0 40 DGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@H]([C@@H]5C[C@H]45)[C@H]3C2=O)cc1Cl 169684045 UAVBADNMGQAKFD-GFHYGRAKSA-N 313.784 3.206 0 40 DGAB Cc1cc(CNc2ccccc2N2CCC(O)CC2)c(C)o1 195574116 YSUZTCRHARDTLU-UHFFFAOYSA-N 300.402 3.470 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NC(C)C 222410467 VZLCDUKYAKUURJ-INIZCTEOSA-N 304.434 3.037 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](C)C(=O)NC1CCCC1 223789911 OHRPZSDZRVVLCQ-HNNXBMFYSA-N 316.445 3.181 0 40 DGAB CCCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NCC 224223314 MXOIZDSTGKGPFC-INIZCTEOSA-N 304.434 3.038 0 40 DGAB Cc1ccc(CC(=O)NCCOc2ccc(F)cc2)c(C)c1 225190424 BRKSWKCHJFPYSE-UHFFFAOYSA-N 301.361 3.180 0 40 DGAB CN(C[C@@H]1Cc2ccccc2CO1)C(=O)NCc1cccs1 225789896 UKVSIKMRHNMDMM-HNNXBMFYSA-N 316.426 3.031 0 40 DGAB CCO[C@]1(C(=O)Nc2cnc(OC)c(C)c2)CCC[C@@H](C)C1 225900601 IAECCHHDWWBDOR-SJKOYZFVSA-N 306.406 3.323 0 40 DGAB CSc1nc(C)cc(N2c3ccc(C(=O)O)cc3C[C@@H]2C)n1 226105543 BJNXYIUUWNDPPG-JTQLQIEISA-N 315.398 3.288 0 40 DGAB CCc1c(C(=O)OC)[nH]c(C(=O)OCc2ccccc2)c1C 255994137 PFCZFERJBKAUGY-UHFFFAOYSA-N 301.342 3.029 0 40 DGAB CCCN(CCC)c1nn(-c2ccc(C)c(C)c2)nc1C(=O)O 256045699 AOHDVTOEWLZYMY-UHFFFAOYSA-N 316.405 3.209 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4ccccc4n3)C2)n1 257204440 AUPSCBHPNAFFKX-HNNXBMFYSA-N 320.396 3.286 0 40 DGAB O=C(NCCCc1ccccc1)NC[C@H]1COc2ccccc21 289076739 NUOMEEPHBQGYKB-INIZCTEOSA-N 310.397 3.095 0 40 DGAB O=C(c1cccc2ccccc12)N1CC(OCC(F)(F)F)C1 390832080 XBVAPNKFCFCILB-UHFFFAOYSA-N 309.287 3.243 0 40 DGAB OCC[C@@H](NCc1ccccn1)c1ccccc1Br 390833673 LHXHKQOQNUSXDD-OAHLLOKOSA-N 321.218 3.057 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc3c(c2)OCO3)C1=O 409019428 JAOKKIAHLARBMB-PBJWJZLWSA-N 305.355 3.250 0 40 DGAB CCc1cc(CNc2nc(-c3cccnc3)nc3c2CCC3)on1 532269384 RWEALAMTRMUIJN-UHFFFAOYSA-N 321.384 3.190 0 40 DGAB Cc1nc2ccccc2n1[C@H]1CCN(C(=O)/C=C/c2ccco2)C1 575616376 JCKFHNIAMIKSED-HVHJFMEUSA-N 321.380 3.425 0 40 DGAB C[C@H]1COc2ccccc2CN1Cc1ccc(C(=O)O)c(F)c1 584666152 MBJZBLCYRVCLBO-LBPRGKRZSA-N 315.344 3.307 0 40 DGAB C[C@H](CC(=O)N1CC[C@@H](c2ncc[nH]2)C1)Cc1cccc(F)c1 585126729 GYVFWKSIEHSZQB-DZGCQCFKSA-N 315.392 3.134 0 40 DGAB O=S(=O)(CCc1ccccc1)N1CC[C@H](c2ccsc2)C1 675008127 CNCCCYXPXGWQHM-HNNXBMFYSA-N 321.467 3.110 0 40 DGAB CCOC(=O)c1cc(Br)c2ccc(OC)cc2n1 685937052 JGDOFHBMLDMFBF-UHFFFAOYSA-N 310.147 3.183 0 40 DGAB O=S(=O)(NCCc1ccc(-c2cccs2)s1)C1CC1 1889139466 CQIRJHZJYLTRMU-UHFFFAOYSA-N 313.469 3.101 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ncnc3ccc(F)cc23)C1 1889175236 MSPXRARZWVDRIY-AWEZNQCLSA-N 324.359 3.130 0 40 DGAB CCc1ccccc1NC(=O)c1cc2ccc(O)cc2oc1=O 113840 HGJSAABLHSUSSS-UHFFFAOYSA-N 309.321 3.313 0 40 DGAB CSc1nc2c(c(=O)n1Cc1ccccc1)S[C@H](C)C2 250332 FGKASDLHVGPAKM-SNVBAGLBSA-N 304.440 3.050 0 40 DGAB Cc1ccc(N2CC(=O)N(c3ccc(C)c(C)c3)CC2=O)cc1C 500413 RVXSQFCFIBEREL-UHFFFAOYSA-N 322.408 3.300 0 40 DGAB Cc1c(C)n(C[C@H](O)CN2CCCC[C@H]2C)c2ccccc12 572129 NRYFBXSFQXDNFG-RHSMWYFYSA-N 300.446 3.493 0 40 DGAB O=C(Cn1cc(C(=O)C2CC2)c2ccccc21)NC1CCCC1 578898 FTZAFDVOSCYJDN-UHFFFAOYSA-N 310.397 3.293 0 40 DGAB CCCCNC(=O)Nc1ccccc1C(=O)NCc1ccco1 2441868 YEOLKEIFKZWHRO-UHFFFAOYSA-N 315.373 3.131 0 40 DGAB COc1ccc(OC)c(C(=O)CCCC2OCC(C)(C)CO2)c1 2518119 URDWSYLABVHZKF-UHFFFAOYSA-N 322.401 3.456 0 40 DGAB COc1ccc(CC(=O)NCc2ccc(Cl)cc2)cc1OC 2619567 POORFZMMVQSDGQ-UHFFFAOYSA-N 319.788 3.216 0 40 DGAB CC(=O)c1ccc(OC[C@H](O)CNC(C)(C)CC(C)(C)C)cc1 2684792 DTBHTBRIQWMLAA-MRXNPFEDSA-N 321.461 3.433 0 40 DGAB CC(=O)c1ccccc1OCCSc1nnc2ccccn12 3356401 OGZGXOUWWOQPDM-UHFFFAOYSA-N 313.382 3.103 0 40 DGAB CC1=C(C(=O)O[C@H]2CCC[C@@H]2C)[C@@H](c2ccccc2)NC(=O)N1 4066376 WEMJGDCBIAOBRE-HZUKXOBISA-N 314.385 3.046 0 40 DGAB CCOc1ccc(-c2nnc3ccc(SCC)nn23)cc1 4165032 RUOOAWHSABOFCW-UHFFFAOYSA-N 300.387 3.302 0 40 DGAB O=C(Cc1ccccc1)Nc1nc2cc3c(cc2s1)OCO3 4325838 UTPMFOKLQKGSBW-UHFFFAOYSA-N 312.350 3.206 0 40 DGAB C[C@@H]1OP2(CN3CCCCC3)(O[C@H]1C)O[C@@H](C)[C@@H](C)O2 4785883 LZWFWEKZNLLNOD-XDQVBPFNSA-N 305.355 3.291 0 40 DGAB C[C@@H](OC(=O)/C=C/c1ccccc1)C(=O)N[C@H]1CCCC[C@H]1C 6033575 LGPUFMUNOIMBHS-UGBFPFBWSA-N 315.413 3.326 0 40 DGAB COc1ccc2c(COC(=O)[C@H]3CC=CCC3)cc(=O)oc2c1 6291200 UEWODSSRHIVMOO-LBPRGKRZSA-N 314.337 3.201 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NC[C@@H](C)c2ccccc2)cc1 6430930 DSMCVJAOEBRELL-OAHLLOKOSA-N 311.381 3.072 0 40 DGAB CN1C(=O)S/C(=C/c2ccc(-c3ccccc3C#N)o2)C1=O 6440492 COYTVHBUECHQCP-RIYZIHGNSA-N 310.334 3.484 0 40 DGAB CCOc1ccc(NC(=O)[C@H]2Cc3ccccc3O2)cc1OC 7435759 PLMGVTSPQXNDKU-QGZVFWFLSA-N 313.353 3.036 0 40 DGAB COc1ccc(NC(=O)CN(C)[C@H](C)c2ccc(F)cc2)cc1 7702989 GIVPJDKRSKOPMW-CYBMUJFWSA-N 316.376 3.466 0 40 DGAB COc1ccc([C@@H](C)NC(=O)COc2cccc(F)c2)cc1F 7924872 HSNDXMJCTLBCFB-LLVKDONJSA-N 321.323 3.230 0 40 DGAB Cc1noc(C)c1C(=O)Nc1nc(-c2ccncc2)cs1 7990272 ZCZBGHBKYXPVEV-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB NC(=O)c1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1 8060783 DXFUMKJYEYRLCH-UHFFFAOYSA-N 323.377 3.161 0 40 DGAB C[C@@H]1C[C@H]1C(=O)N(C)CC(=O)Nc1c(Cl)cccc1Cl 8413087 OANCDSWGUBRWOG-RKDXNWHRSA-N 315.200 3.046 0 40 DGAB Cc1cc(C(=O)Cn2cnc3cc(F)ccc3c2=O)c(C)s1 8486165 FLTVYIOVJITPQG-UHFFFAOYSA-N 316.357 3.097 0 40 DGAB C[C@@H](NC(=O)CSc1ncc2ccccn12)c1cccs1 8707854 DNERIRWIODJHJJ-LLVKDONJSA-N 317.439 3.365 0 40 DGAB O=C1C[C@@H](c2nc(-c3ccccc3F)no2)CN1c1ccccc1 9317946 BIBYLRSDBXRYLH-GFCCVEGCSA-N 323.327 3.396 0 40 DGAB O=C(Nc1cccnc1)c1cnn(Cc2ccccc2Cl)c1 10742099 NEHMLYIAURGHGW-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCOc1ncccc1C(=O)OCc1cnn(-c2ccccc2)c1 15513857 WAWSTWFEHMEGHI-UHFFFAOYSA-N 323.352 3.023 0 40 DGAB CN(CCNC(=O)c1cc2cc(F)ccc2[nH]1)C1CCCCC1 19586108 INQAHOGIIQRJOW-UHFFFAOYSA-N 317.408 3.301 0 40 DGAB CCCCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1 19909489 ZUMFFVJBSWSZMX-UHFFFAOYSA-N 311.447 3.430 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)CCc1ccccc1 20454138 AGUYIIDXXPYXTF-UHFFFAOYSA-N 319.408 3.430 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@H]1CC(=O)Nc2ccccc21 21891786 SPHLCSSGPZYSMY-IUODEOHRSA-N 306.365 3.090 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@H]1c1ccccc1 22551202 NFVONGAGCCXWAP-DXRVJIQQSA-N 309.413 3.414 0 40 DGAB Cc1nnc([C@@H]2CCCN(C(=O)/C=C\c3ccccc3)C2)s1 23140577 NVSCPQFZJCKRCB-FJVVXJACSA-N 313.426 3.266 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)NCCOc1ccc(F)cc1 29293882 KAVNEVJUPHRKII-XCVCLJGOSA-N 303.308 3.173 0 40 DGAB O=C(NCCCN1CCc2ccccc21)c1ccc(Cl)o1 29523150 HLZUCTBFIARHTR-UHFFFAOYSA-N 304.777 3.116 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)NCCCOC(C)C)cc1 30754145 KEIZWJVUFRCJRS-ZDUSSCGKSA-N 311.447 3.107 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)c1 30850978 MSAPFZYKKAZYBW-ZIAGYGMSSA-N 311.381 3.440 0 40 DGAB C[C@@H](NC(=O)c1cccnc1N(C)C)c1ccc(Cl)cc1 31696047 BDYKXAWURBHLEH-LLVKDONJSA-N 303.793 3.292 0 40 DGAB COC(=O)c1ccoc1COc1ccc(F)c2c1C(=O)C[C@@H]2C 32899451 ZJHSKOGVICQPQR-VIFPVBQESA-N 318.300 3.474 0 40 DGAB COc1ccc(NC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cn1 40012166 ZNQXZYYOMGBSTK-SMDDNHRTSA-N 300.358 3.378 0 40 DGAB O=C(Nc1cc(N2CCCC2=O)ccc1Cl)c1ccco1 40090700 AUDQPAQMYRYLIN-UHFFFAOYSA-N 304.733 3.312 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1C 40525341 HPXZKABXSTVQBD-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB CC(C)(C)c1ccc(OCCCN2CCC[C@@H]2C(=O)O)cc1 41533699 HDHOLOWAUGBDPO-MRXNPFEDSA-N 305.418 3.302 0 40 DGAB Cc1c(Cl)cccc1NC(=S)NCCN1CCCCC1 44084434 AKZMARWLCVXXTE-UHFFFAOYSA-N 311.882 3.421 0 40 DGAB Cc1nn(C)c(C)c1CCC(=O)N1CCC[C@@H]1c1cccs1 44892803 GRGAETKGVDUKOC-OAHLLOKOSA-N 317.458 3.395 0 40 DGAB Cc1cccc(C(=O)c2ccccc2I)n1 45028478 BOMABOKIOHJIOF-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB C[C@H]1C(=O)N(Cc2ccccc2F)C(=O)N1c1ccc(F)cc1 45360960 DHDYSKCMGACACS-NSHDSACASA-N 316.307 3.322 0 40 DGAB C[C@@H](NC(=O)N(C)CC12CC3CC(CC(C3)C1)C2)[C@H]1CCCO1 45683608 DDLATLQDGLNWQJ-VWSOIFEKSA-N 320.477 3.412 0 40 DGAB Cn1c(C(=O)N2CCO[C@@H]3CCCC[C@@H]32)cc(Cl)c1Cl 46495117 GUAFDFNKRFQJTL-CMPLNLGQSA-N 317.216 3.116 0 40 DGAB CN1CCC(NC(=O)CCc2ccc(Cl)cc2Cl)CC1 47615542 NVGRHHQLPLXUFD-UHFFFAOYSA-N 315.244 3.136 0 40 DGAB Cc1ccc(CNCc2cc(Cl)c3c(c2)OCCO3)cn1 47826016 SJQHHXCYGNIOMJ-UHFFFAOYSA-N 304.777 3.104 0 40 DGAB C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccccc1F 48332675 KLYBZQVXANHCEU-GFCCVEGCSA-N 314.339 3.396 0 40 DGAB C[C@H](Cc1ccsc1)NC(=O)N1CCc2ccccc2C1 50168301 MEBWNRFIQJEJDM-CYBMUJFWSA-N 300.427 3.447 0 40 DGAB O=C(Nc1nccs1)[C@@H](c1ccccc1)N1CCCCC1 52534207 YHAPKGVGAGARFK-CQSZACIVSA-N 301.415 3.309 0 40 DGAB COCCCC(=O)Nc1cccc(Cn2ccnc2C(C)C)c1 54012082 ZAPKUXCRPNMNIK-UHFFFAOYSA-N 315.417 3.420 0 40 DGAB CCC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1 58297678 JYZKXZTYQZXAEL-UHFFFAOYSA-N 316.361 3.026 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)C[C@H]1C(=O)Nc2ccccc21 58357479 OLSRFCGVXRZSFQ-SWLSCSKDSA-N 306.365 3.090 0 40 DGAB Cc1ccc([C@H](NCc2c(C)nn(C)c2N(C)C)C2CC2)cc1 58392980 MCNZQZKACIUOHO-SFHVURJKSA-N 312.461 3.344 0 40 DGAB COc1ccc(NCC(=O)Nc2cc(C)ccc2OC)c(C)c1 65548270 NPQJHVUGTNIVOJ-UHFFFAOYSA-N 314.385 3.371 0 40 DGAB CS[C@H](C)C(=O)N[C@@H]1C[C@@H]1c1ccccc1C(F)(F)F 65626766 FSGSPJIMHWXKJL-HLUHBDAQSA-N 303.349 3.429 0 40 DGAB C[C@H](NC(C)(C)CNC(=O)CC(F)(F)F)c1ccccc1 68385583 UHQYSKSNADDUPF-NSHDSACASA-N 302.340 3.184 0 40 DGAB CC(C)Cc1nc(CSc2nc(-c3ccccc3)n[nH]2)no1 69434806 YBSBIZPRCBNFCR-UHFFFAOYSA-N 315.402 3.346 0 40 DGAB CC(C)c1nc2c(n1C)CCN(Cc1ncc(C(C)(C)C)o1)C2 69598116 GQQUETHLUQXBSH-UHFFFAOYSA-N 316.449 3.387 0 40 DGAB CC(C)OCCC(=O)Nc1nnc(Cc2cccc(F)c2)s1 69632144 FXADRMNHBNZOKI-UHFFFAOYSA-N 323.393 3.022 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@H](n3ccnc3)C2)s1 69662077 VVBAPLGBJFUQJV-RRFJBIMHSA-N 315.442 3.220 0 40 DGAB Cc1ncsc1CCN(C)Cc1ccc(Br)o1 69895669 FXWFQXZFPWGZLC-UHFFFAOYSA-N 315.236 3.482 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccc(F)cc1Cl 70038147 PQYOOLLUASGLMH-IAGOWNOFSA-N 324.827 3.454 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)Nc1cccc([S@](C)=O)c1 71910919 SWNCRMNTFYCSNY-WSVYEEACSA-N 306.387 3.242 0 40 DGAB CCn1nc(C)c(C(=O)Nc2cnc3cc(OC)ccc3c2)c1C 72247405 LOKNHYQGFSZXLQ-UHFFFAOYSA-N 324.384 3.329 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)n1 72273879 KZQXXEQCTRMUIM-OCCSQVGLSA-N 308.447 3.320 0 40 DGAB CCc1ocnc1C(=O)N1CCC[C@H](c2nc(C)cs2)C1 72298919 QBLVYHCQOQWMDS-NSHDSACASA-N 305.403 3.022 0 40 DGAB COCCN1CCC(c2cncc(-c3ccccc3C)n2)CC1 72359354 QJVUGSQXDPPGSS-UHFFFAOYSA-N 311.429 3.278 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)CCCc1cn(C)c2ccccc12 72405552 ZXWRZZBDAQMJLK-UHFFFAOYSA-N 324.428 3.490 0 40 DGAB Cc1nc(C)c(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)o1 74792469 ZODQAXZWBSINAQ-UHFFFAOYSA-N 322.430 3.067 0 40 DGAB Cc1ccc(-c2nnc(Sc3ccnc(N(C)C)n3)o2)cc1 75145288 GHMWVXZSBCMVBL-UHFFFAOYSA-N 313.386 3.052 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@@](C)(O)c2cc(C)oc2C)c1 76084617 DGVRVSLNQVBZIK-GOSISDBHSA-N 301.386 3.151 0 40 DGAB NC(=O)c1ccc(Cl)c(NC(=O)CCc2cccs2)c1 78594315 ULQDBGDUGOPRRS-UHFFFAOYSA-N 308.790 3.072 0 40 DGAB CCN(CC)C(=O)CCC(=O)N1CC[C@H](C)c2ccccc21 79069770 VHOCBDYQIMGAEM-AWEZNQCLSA-N 302.418 3.175 0 40 DGAB CS[C@H]1CCCCN([C@@H](C)C(=O)NCC2CCCCC2)C1 83967329 CXZJCADNECNSQN-HOCLYGCPSA-N 312.523 3.289 0 40 DGAB O=C1N[C@H](c2cnc(-c3ccsc3)s2)Nc2cnccc21 84502281 HZRRMTZHKVMJQG-GFCCVEGCSA-N 314.395 3.121 0 40 DGAB CCN(CCNC(=O)c1ccccc1C(C)=O)c1ccccc1C 84774774 VBTNCNJYDIVMTJ-UHFFFAOYSA-N 324.424 3.454 0 40 DGAB Cc1ccc(CNCc2cscn2)c(OC[C@@H]2CCCO2)c1 89623771 PQTZELGUBNHPFK-INIZCTEOSA-N 318.442 3.299 0 40 DGAB Cn1cc(Nc2cccc(NC(=O)CCC(F)(F)F)c2)cn1 89756570 UGGPJOYSHVVKLJ-UHFFFAOYSA-N 312.295 3.445 0 40 DGAB C[C@H](NC(=O)c1ccon1)c1ccc(OCC2CC2)c(F)c1 89904718 RGDPWVLLQPTSAG-JTQLQIEISA-N 304.321 3.094 0 40 DGAB CCCCOCC(=O)Nc1cc(F)ccc1Br 95411507 DKZGFZZLOHKSPH-UHFFFAOYSA-N 304.159 3.343 0 40 DGAB Cc1nccn1CCCCN[C@H](C)c1ccc2c(c1)OCO2 95423167 NSWKLQACMZSEDR-CYBMUJFWSA-N 301.390 3.051 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)Nc1nc(C(C)C)nn1C 95431688 SKWJFMUCSOXWJW-GHMZBOCLSA-N 304.419 3.051 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@@H]3CCCc4c3cnn4C)c2c1 95468484 FIRDNJVRPYMGCI-MRXNPFEDSA-N 308.385 3.017 0 40 DGAB C[C@H](C(=O)N1CCC(C)(CO)CC1)c1cc2ccccc2o1 95941063 SVBZWOFSZDKUPN-ZDUSSCGKSA-N 301.386 3.157 0 40 DGAB Brc1ccc(COCc2ncc[nH]2)c2ncccc12 96009514 SGQVSYUWDCFAPK-UHFFFAOYSA-N 318.174 3.437 0 40 DGAB Brc1cccc(-n2cc(Br)cn2)c1 96135441 JLYNVRAZUGWRCF-UHFFFAOYSA-N 301.969 3.397 0 40 DGAB COc1ccccc1[C@H](CNC(=O)/C=C/c1cccs1)OC 96384474 NEXGNQLFPMOLFI-SCOAYWHSSA-N 317.410 3.274 0 40 DGAB C[C@@H](c1ccncc1)N(C)C(=O)[C@@H](C)N1CCc2ccccc2C1 96412359 QHTPDZYJNXSOTL-JKSUJKDBSA-N 323.440 3.048 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@@H]2CC(C)(C)Cc3occc32)C1 96479352 XKSOWUJRVZZBFR-UKRRQHHQSA-N 304.434 3.140 0 40 DGAB CCN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1C 96658918 BKJGTDXVVCRMPM-UHFFFAOYSA-N 307.390 3.345 0 40 DGAB Cc1cnc([C@H](C)CNC(=O)NCc2nc(C)c(C)s2)s1 97110200 ZMYGRLFFAMVLBK-MRVPVSSYSA-N 324.475 3.128 0 40 DGAB CCCC(=O)N[C@H]1CCN(C(=O)CCC)c2ccc(OC)cc21 97137910 MBQMRUGCGWHZHU-HNNXBMFYSA-N 318.417 3.189 0 40 DGAB CC(C)(C)c1n[nH]cc1CNCc1cccc(Cn2ccnc2)c1 97159349 CCMZEMCVKKCDIK-UHFFFAOYSA-N 323.444 3.242 0 40 DGAB COCCOc1ccc(N(C)C(=O)c2cccc(C)c2F)cc1 97227929 ZBSFTJPSIYSPCY-UHFFFAOYSA-N 317.360 3.436 0 40 DGAB Fc1ccc2ncnc(NCCc3ccc4c(c3)OCO4)c2c1 97497477 SDDCNCAZINCDOR-UHFFFAOYSA-N 311.316 3.152 0 40 DGAB C[C@@H](NC(=O)c1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 104105498 GRYUGPXMSBXWJZ-LDDOYCOJSA-N 309.413 3.427 0 40 DGAB C[C@H]1CCCCN1[C@H](C)CNC(=O)c1cc2ccccc2o1 106525745 ZUGQEPOSIZPEGS-UONOGXRCSA-N 300.402 3.426 0 40 DGAB O=C(NC1=NCCS1)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 107083944 CWTKTCBKHOAAAC-UWVGGRQHSA-N 315.225 3.316 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCc1cccc(C)c1 113960244 STNDRYFRWCBIKG-MRXNPFEDSA-N 313.397 3.477 0 40 DGAB CO[C@@H](C)CCC(=O)N(C)Cc1sccc1Br 195557960 UBAHKYBZOIZDDK-VIFPVBQESA-N 320.252 3.284 0 40 DGAB Cc1ccc(OCC(=O)N[C@H](C)COc2ccc(C)cc2)cc1 222761980 HHPWQTGGCLFYAX-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCCOC1(C(=O)Nc2ccc(OCC)nc2C)CCCC1 225909079 LQKPYFPQHBPMNE-UHFFFAOYSA-N 306.406 3.467 0 40 DGAB COc1cc(OC)c2c(Cl)c(C(=O)O)sc2c1OC 228972720 IOECFAOIVDOCJU-UHFFFAOYSA-N 302.735 3.279 0 40 DGAB CNCc1cc([C@H]2CC[C@H](CN(C)C3CCCC3)CC2)nn1C 257252876 JWLZDFMYPAZHLH-WKILWMFISA-N 318.509 3.288 0 40 DGAB CCn1cc(C(=O)NCc2ccccc2)c(=O)c2cc(C)ccc21 408713123 KYMXYULXCNUTRQ-UHFFFAOYSA-N 320.392 3.260 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)c1ccccc1Cl 575616235 YBCJLCPKZPZDOK-UHFFFAOYSA-N 315.760 3.227 0 40 DGAB CN(C)C1CCC2(CC1)CCN(CCc1ccncc1)CC2 585116397 UEIRVULNKNTKHH-UHFFFAOYSA-N 301.478 3.211 0 40 DGAB CCOC(=O)c1nn(Cc2ccccc2)c(Cl)c1/C=C/OC 1083809143 MBNHOJSAYLEUDM-MDZDMXLPSA-N 320.776 3.379 0 40 DGAB Cc1n[nH]c(C)c1CNC(=O)C[C@H](C)c1c[nH]c2ccccc12 1521695462 ZOAGDFNTSKGPIV-NSHDSACASA-N 310.401 3.318 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCN(c2nc3ccccc3s2)C1 1889114198 XHFRUWYFFJNRKP-LLVKDONJSA-N 303.431 3.037 0 40 DGAB CC(=O)Nc1ccc2c(c1)nc1n2CCN(c2ccccc2)C1 1063421 GEORFNNGAJPERF-UHFFFAOYSA-N 306.369 3.015 0 40 DGAB COc1cc(C=O)c(Oc2cc(C=O)ccc2OC)cc1OC 1583420 YYGSGVZGXFWVMM-UHFFFAOYSA-N 316.309 3.130 0 40 DGAB biogenic CCOCCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1 2179275 FFBAETHFNLKQDN-LLVKDONJSA-N 301.839 3.363 0 40 DGAB CCC[C@@H](CCC(=O)Nc1ccn(-c2ccccc2)n1)C(=O)O 2376983 BOFKKFJIDCHDRH-ZDUSSCGKSA-N 315.373 3.092 0 40 DGAB C[C@H](OC(=O)C1CC1)C(=O)Nc1cc(Cl)cc(Cl)c1 3280721 SSDZNCCLZPKKNA-ZETCQYMHSA-N 302.157 3.274 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)c2cccc(O)c2)c(C)c1 3511776 NJDWFOXUWGUSCB-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB O=C(O)c1c[n+]([O-])ccc1NC(c1ccccc1)c1ccccc1 3844331 MYKJYRDHOIODDB-UHFFFAOYSA-N 320.348 3.220 0 40 DGAB O=C([C@@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCCC1 4746289 NXQACWRWSZGMQE-MRXNPFEDSA-N 304.409 3.050 0 40 DGAB CCc1cccc2c(C(=O)COc3ccccc3C(N)=O)c[nH]c12 5270737 AORGKFCKAWFINQ-UHFFFAOYSA-N 322.364 3.091 0 40 DGAB C[C@@]12CCC(=O)N1c1ccccc1C(=O)N2c1ccc(F)cc1 6266588 ICZWEOLXWBBWTC-SFHVURJKSA-N 310.328 3.329 0 40 DGAB COc1ccccc1CC(=O)Nc1ccccc1N1CCCC1 7107144 BQHWWVGVCNKUTC-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB CN(CC(=O)Nc1ccnn1C1CCCC1)Cc1cccs1 8327665 CRUWULFUXROSLS-UHFFFAOYSA-N 318.446 3.130 0 40 DGAB COCCc1nnc2sc(-c3cccc4ccccc34)nn12 8392576 MLFGKCLUJCJOKV-UHFFFAOYSA-N 310.382 3.195 0 40 DGAB Cc1ccc2oc(C(=O)N3CCN(c4ccccc4)CC3)cc2n1 8798459 LNVGQTRKHKYTSV-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB CN(Cc1cnn(Cc2ccccc2)c1)C(=O)c1ccc(F)cc1 11083178 ITUGBRQMAMJBQO-UHFFFAOYSA-N 323.371 3.343 0 40 DGAB O=C(c1cc2ccccc2c(=O)s1)N1CCc2ccccc2C1 12274443 DXCUDMXOBZVUKE-UHFFFAOYSA-N 321.401 3.460 0 40 DGAB Cc1csc(NC(=O)c2sc(-n3cccc3)nc2C)n1 12391491 UARKPADLKKYMGQ-UHFFFAOYSA-N 304.400 3.259 0 40 DGAB COc1ccc(Cl)cc1C(=O)NCCN(C)c1ccccc1 12611338 SHKVJTYXHGZFQD-UHFFFAOYSA-N 318.804 3.215 0 40 DGAB Cc1nc2cc(NC(=O)CC3(C(=O)O)CCCC3)ccc2o1 12685962 GXYXEQNNBHSOBA-UHFFFAOYSA-N 302.330 3.110 0 40 DGAB O=C(c1cccnc1)N1CCC[C@@H](n2cnc3cc(F)ccc32)C1 13266152 YOTNJXHOYPRGJH-OAHLLOKOSA-N 324.359 3.048 0 40 DGAB Cc1nnc(SCc2cc(=O)oc3cc(C)c(C)cc23)o1 14180802 XWCPFWOADQXYBI-UHFFFAOYSA-N 302.355 3.394 0 40 DGAB Cc1ccc(F)cc1NC(=O)C1CCN(C(=O)C(C)(C)C)CC1 19173265 XZLHJSGICMVBOK-UHFFFAOYSA-N 320.408 3.357 0 40 DGAB O=C1CCc2cc(C(=O)NC34CC5CC(CC(C5)C3)C4)ccc2N1 21897298 LPWJPLGUMBHCCL-UHFFFAOYSA-N 324.424 3.270 0 40 DGAB Cc1cc(C(=O)CSc2nnc(C3CC3)n2C2CC2)c(C)[nH]1 22416705 GDJLNNXSDUTJKT-UHFFFAOYSA-N 316.430 3.410 0 40 DGAB CCc1nnsc1C(=O)NCCSCc1ccc(C)cc1 22694281 SIXZNARIJUABQR-UHFFFAOYSA-N 321.471 3.072 0 40 DGAB CCc1cc(C(=O)NCCN(C)c2ccccc2)sc1C 24241436 XXFYFROKTSMUCC-UHFFFAOYSA-N 302.443 3.485 0 40 DGAB O=C(Nc1cccc(Cl)c1)[C@H]1CCCN1C(=O)c1ccco1 24987149 OGNOCTOAHZYTQV-CYBMUJFWSA-N 318.760 3.176 0 40 DGAB CCSc1nnc(C2CC2)n1-c1cccc(NC(C)=O)c1 26132013 LXOHUZAUHHBBCP-UHFFFAOYSA-N 302.403 3.215 0 40 DGAB O=C1CCCN1c1ccc(CNCc2c(F)cccc2F)cc1 28315251 YWQPINWOFWYZJZ-UHFFFAOYSA-N 316.351 3.381 0 40 DGAB CC1(C)CC(=O)C2(OC(c3ccc(Cl)cc3)=NS2)C(=O)C1 28467705 IMPJBMKXEZCHJV-UHFFFAOYSA-N 323.801 3.420 0 40 DGAB COc1ccc([C@H]2CCCN2C(=O)[C@H]2Cc3ccccc3O2)cc1 29479955 AUDGDXYRPGWHQZ-IEBWSBKVSA-N 323.392 3.362 0 40 DGAB Cc1cccc(CNC(=O)c2ccc(N3CCCC3=O)cc2)c1 31107423 GVIKYALNSSTMSA-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB COC(=O)c1cc2c(=O)n([C@@H]3CCCC[C@@H]3C)ccc2nc1C 38784143 DTDOMISNAOSZDE-MEDUHNTESA-N 314.385 3.243 0 40 DGAB Cc1ccccc1CN1CCC(C(=O)NCCC(C)C)CC1 39766201 YBSSGEDVXJXZBS-UHFFFAOYSA-N 302.462 3.369 0 40 DGAB CSc1nnc(NC(=O)COc2cc(C)cc(C)c2C)s1 40989443 UPTNTKABBZOFCM-UHFFFAOYSA-N 323.443 3.203 0 40 DGAB CCOC(=O)[C@@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958353 LTLABVDIHQCELX-OAHLLOKOSA-N 321.376 3.174 0 40 DGAB Cc1ccc2nncc(SCC(=O)N3CCCCC3)c2c1 46087735 JDAIQXUYFDJOPG-UHFFFAOYSA-N 301.415 3.043 0 40 DGAB CC(C)NC(=O)Nc1ccc(Cl)cc1C(=O)N1CCCC1 47866354 LZPHRGZMVSYRCG-UHFFFAOYSA-N 309.797 3.106 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCC1(c2cccc(F)c2)CCOCC1 55451400 RHLPQGWVPBAIHE-OAHLLOKOSA-N 317.404 3.346 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)N[C@@H]1c2ccccc2C[C@@H]1O 57003454 MNYKUWNCOIRADU-CEXWTWQISA-N 322.408 3.022 0 40 DGAB O=C1C[C@H](C(=O)NCc2ccc(Cl)cc2)C2(CCCCC2)O1 57355723 FQBYCAFGMCCEIW-CQSZACIVSA-N 321.804 3.222 0 40 DGAB Cc1cnn(Cc2cc(F)ccc2F)c1NC(=O)C1CCC1 58186127 OMOIAKKJQSRGRJ-UHFFFAOYSA-N 305.328 3.257 0 40 DGAB CCOC(=O)[C@@H](C)Sc1nnc(-c2c[nH]c3ccccc23)o1 58214848 YWHQAQBVXKASCU-SECBINFHSA-N 317.370 3.262 0 40 DGAB CCc1nc(CN(C)C(=O)[C@H](C)OCc2ccccc2)cs1 58264386 RWIKLKCSUKXAJM-ZDUSSCGKSA-N 318.442 3.269 0 40 DGAB c1ccc2c(c1)CCC[C@@H]2Sc1nnnn1C[C@H]1CCCO1 58987236 STGRJIRVRWGKOG-HIFRSBDPSA-N 316.430 3.022 0 40 DGAB CC(C)(C)C(=O)N1CCC[C@@H](C(=O)N(C2CCCC2)C2CC2)C1 63290412 NCPYOUXADDJIMI-CQSZACIVSA-N 320.477 3.205 0 40 DGAB CSc1ccc(CN2CCCN(C[C@@H]3CCCO3)CC2)cc1 65475403 YQGGBPVPWGVWOS-KRWDZBQOSA-N 320.502 3.095 0 40 DGAB Cc1cc(C)n([C@@H]2CCCN(C(=O)Cc3cccc(F)c3)C2)n1 69519421 GPNXOQUDVGNFEW-QGZVFWFLSA-N 315.392 3.045 0 40 DGAB Fc1cccc([C@@H]2CCN(Cc3nnc(-c4ccco4)o3)C2)c1 69630797 TXPXOIWRTMYMIK-CYBMUJFWSA-N 313.332 3.458 0 40 DGAB C[C@@H](N)[C@@H]1CCCN(C(=O)c2ccc(Cl)cc2Cl)C1 70172975 UNKKWMMFZAGSBC-NXEZZACHSA-N 301.217 3.193 0 40 DGAB C[C@@H]1C[C@@H]1c1nnc(C2(c3ccc(F)cc3)CCOCC2)o1 71889993 JBRJVMFHVMPYHY-RISCZKNCSA-N 302.349 3.429 0 40 DGAB Cc1c(C2CC2)n[nH]c1NC(=O)Cc1ccccc1OC(F)F 71911121 AEQURGJFXGIAJQ-UHFFFAOYSA-N 321.327 3.378 0 40 DGAB Cc1c(CS(C)(=O)=O)cccc1NC(=O)CC1CCCC1 72286750 HSFDUWZJAMDAJO-UHFFFAOYSA-N 309.431 3.058 0 40 DGAB CC(C)c1csc([C@H]2CCCN(C(=O)c3cnc[nH]3)C2)n1 72297208 CEQKAKWCOZEARW-NSHDSACASA-N 304.419 3.009 0 40 DGAB CC(C)C[C@@H]1CCCCN1C(=O)CCc1nc(C2CC2)no1 75110732 AQQPCKWIZSKCPG-AWEZNQCLSA-N 305.422 3.307 0 40 DGAB COc1ncccc1N(C)C(=O)c1oc(-c2ccccc2)nc1C 81431265 BZOICJCREHJWAU-UHFFFAOYSA-N 323.352 3.330 0 40 DGAB CN(C)C(=O)c1cc(NCc2ncc(C(C)(C)C)o2)ccc1F 85280916 KYDZWFWQUZKLBK-UHFFFAOYSA-N 319.380 3.425 0 40 DGAB COc1cccc2c1OCC(=O)N([C@@H](C)c1cccs1)C2 85470768 GDYAQDHSMHRZPY-NSHDSACASA-N 303.383 3.239 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)NC[C@H]1C[C@]12CCc1ccccc12 88390711 DDXAWVLQVLTUOW-RDTXWAMCSA-N 310.401 3.052 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@H]3C2)c(C)c1 89612052 FYCYRJWRIVBYRO-VSQWLSRBSA-N 313.441 3.470 0 40 DGAB CSC[C@H]1CCN(C(=O)c2nc(C3CC3)n3ccccc23)C1 91058651 ZOGRGPUPUOXVKU-LBPRGKRZSA-N 315.442 3.037 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)C2=COCCC2)c2ccccn2)cc1 95397555 RGFLHDYANXEGAY-LJQANCHMSA-N 322.408 3.484 0 40 DGAB CCSCc1ccnc(NC(=O)[C@@H](O)c2ccccc2)c1 95446947 IHTMXPHYWRWXNU-HNNXBMFYSA-N 302.399 3.007 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)N1CCC(N2CCCCC2)CC1 95454495 VBBKBZIOLKUXSJ-IYBDPMFKSA-N 307.482 3.320 0 40 DGAB CCc1nncn1CCN[C@@H](C)c1ccccc1C(F)(F)F 95968732 WVSHBAJWBRPMOC-NSHDSACASA-N 312.339 3.210 0 40 DGAB CN(C[C@@H]1CCC[C@@H]1O)C(=O)N[C@@H](c1ccco1)C(C)(C)C 95974478 QJFDALVXNUIQSM-YDHLFZDLSA-N 308.422 3.169 0 40 DGAB COc1ccc(C(=O)Nc2cnccc2-n2nc(C)cc2C)cc1 96223589 QCWIHIFHSMHIGT-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB CCN(C(=O)c1cnc(-c2ccc3c(c2)OCO3)s1)C1CC1 96403901 IZTMIAHOECFMTH-UHFFFAOYSA-N 316.382 3.163 0 40 DGAB Cc1ncsc1CNC(=O)NCC1(c2cccc(F)c2)CC1 96417726 FPTWTXOZNBOTMF-UHFFFAOYSA-N 319.405 3.122 0 40 DGAB Cc1cccc(NC2CCN(Cc3scnc3C)CC2)n1 96490052 UJKJWVPBNKZCHZ-UHFFFAOYSA-N 302.447 3.231 0 40 DGAB CC[C@H]([C@@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96519587 PQQKPQCWSDGECH-NEPJUHHUSA-N 311.230 3.240 0 40 DGAB C[C@@H]1[C@@H](NC2CCN(CC(F)F)CC2)C[C@H]1c1ccccc1 97084855 RRJMXEJJFZUSSD-XKQJLSEDSA-N 308.416 3.498 0 40 DGAB COc1ccc([C@H](C)Nc2ccc(C)c(C(N)=O)c2)c(OC)c1 97232133 ICQNUWWQHAHIQP-LBPRGKRZSA-N 314.385 3.284 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@@H](Nc3ccccc3)C2=O)c(C)c1 101274668 UMIISVFRNSFHHX-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB Cc1csc(N2CCN([C@H](C)c3cccnc3)C[C@@H]2C)n1 106840805 SAJCVKNZNHBLIA-UONOGXRCSA-N 302.447 3.118 0 40 DGAB O=C(O[C@H]1C[C@H]2CC[C@H]1C2)c1nc(N2CCCC2)ncc1Cl 108062803 ABMCUNGFGJDJLZ-GVXVVHGQSA-N 321.808 3.076 0 40 DGAB COc1cccc(CNCc2ccc(C(C)(C)O)cc2)c1F 192710929 SDUSHOPUOFUUFK-UHFFFAOYSA-N 303.377 3.352 0 40 DGAB COc1cc(CN2CCSC[C@H]2c2nccs2)ccc1O 194995835 INPKEQHQVAUOIZ-LBPRGKRZSA-N 322.455 3.147 0 40 DGAB C[C@H](C(=O)NC[C@@H]1[C@@H]2CCc3ccccc3[C@H]21)C1CCOCC1 195546013 PZOKKCOIZUAGEK-NOENWEJRSA-N 313.441 3.141 0 40 DGAB CCOC(=O)N1CCC[C@H](Cc2nc(-c3ccsc3)no2)C1 207014934 QJYSXKIIMRSIIV-LLVKDONJSA-N 321.402 3.209 0 40 DGAB COc1cc([C@H]2C[C@H](O)c3ccccc3N2)cc(OC)c1OC 225817231 GXHKCMCWXWGCDJ-CABCVRRESA-N 315.369 3.303 0 40 DGAB O=C(NCCc1cccs1)c1cccnc1-c1cncs1 257220231 DKCOGQBMJXSXPM-UHFFFAOYSA-N 315.423 3.239 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H]2c2cccc3nccn23)cn1 257235292 GXFLPULVJSUCPC-MRXNPFEDSA-N 306.369 3.015 0 40 DGAB O=C(O)[C@@H]1[C@H]2CCC[C@H]2CN1C(=O)c1ccc2sccc2c1 263300365 DCYJMUKHTFZWLV-YDHLFZDLSA-N 315.394 3.227 0 40 DGAB CC(=O)Nc1cccc(OCCNc2nc3ccccc3o2)c1 301192294 MBJRUAZJHLPKNZ-UHFFFAOYSA-N 311.341 3.277 0 40 DGAB CCOC(=O)CSc1nnc(-c2ccccc2)n1CC(C)C 409089476 NWGCVKVRAPENHT-UHFFFAOYSA-N 319.430 3.256 0 40 DGAB O=C(NCC[C@H](CCO)c1cccs1)NCc1cccs1 575605524 AVHXYYDKYHBZNV-GFCCVEGCSA-N 324.471 3.165 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1ccc2ncsc2c1 575620678 PKTNLGIDVKOITF-UHFFFAOYSA-N 309.394 3.499 0 40 DGAB COc1cccc2ncnc(N3Cc4ccccc4O[C@@H](C)C3)c12 581464338 KYHSMKUJGFFZCL-ZDUSSCGKSA-N 321.380 3.426 0 40 DGAB CC[C@H](C)N1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 585100445 KOMWWOCRNFRYAF-YOEHRIQHSA-N 321.490 3.289 0 40 DGAB O=C(N[C@H]1CCC12CCOCC2)c1cccc(Br)c1 585410039 ZGNRTJPVDITHQN-ZDUSSCGKSA-N 324.218 3.138 0 40 DGAB O=C(NC[C@]1(O)C=CCCC1)c1csc(-c2ccccc2)n1 606440812 SXNSJDIAULZNTE-KRWDZBQOSA-N 314.410 3.011 0 40 DGAB O=S(=O)(c1ccccc1F)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1775973357 GUOGTFYOOPIKIA-KBPBESRZSA-N 307.390 3.232 0 40 DGAB Cc1cc(NC2CCN(C/C=C/c3ccccc3)CC2)ncn1 1888859354 SBVSDECDBGFVQE-VMPITWQZSA-N 308.429 3.375 0 40 DGAB CN1CCC[C@@H](c2cccc(-c3cnc4ccc(F)cn34)n2)C1 2037835057 UPHBTHGOLHTOSD-CYBMUJFWSA-N 310.376 3.345 0 40 DGAB O=C(C[C@H](Cc1ccccc1)C(=O)O)Nc1ccc(F)cc1 203012 FWIQVBCMXHWGTN-ZDUSSCGKSA-N 301.317 3.098 0 40 DGAB CCC(=O)NC(=S)Nc1nc(-c2ccc(OC)cc2)cs1 559884 UOBAJLJIRDPTOX-UHFFFAOYSA-N 321.427 3.042 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2c3ccccc3C[C@H]2C)c(C)c1 3318476 BTRMJEJGOSBDST-OAHLLOKOSA-N 323.392 3.438 0 40 DGAB Cc1ccc(C)c(CSc2nc(=O)n3cc(C)ccc3n2)c1 4503687 CJKYIOGSYZRUCE-UHFFFAOYSA-N 311.410 3.307 0 40 DGAB CCCc1ccc(C(=O)Cn2nnc(-c3ccccc3)n2)cc1 4549132 OEAMUMAFJPWRLI-UHFFFAOYSA-N 306.369 3.176 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)OC(=O)c1ccccn1 5060451 WIORPMQMZNTSQU-GFCCVEGCSA-N 308.337 3.300 0 40 DGAB C[C@H](NC(=O)COc1ccccc1F)c1ccc(F)cc1F 5104378 BYABKYXILYIEBP-JTQLQIEISA-N 309.287 3.360 0 40 DGAB CN(C)CCCO[S@@](=O)C(c1ccccc1)c1ccccc1 5599674 ZNIVSAVTRWQQHB-QFIPXVFZSA-N 317.454 3.408 0 40 DGAB COc1ccccc1C(=O)COC(=O)c1ccc2ccccc2n1 5845417 ALOBYDHHMXPJEI-UHFFFAOYSA-N 321.332 3.283 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cc2ccccc2cc1O)c1ccco1 6589358 DMIYJVNBNGPECU-INIZCTEOSA-N 324.380 3.171 0 40 DGAB CCn1nnnc1NCc1ccc(-c2ccc(Cl)cc2)o1 7602178 WLRRUKNZUSAKLO-UHFFFAOYSA-N 303.753 3.219 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1cccc(NC(N)=O)c1 8071731 QXQLNAOMZMLIBY-UHFFFAOYSA-N 303.749 3.391 0 40 DGAB COc1ccccc1CNC(=O)c1cccc(-n2cccc2)c1 8193716 DQFNKSBWPYRVER-UHFFFAOYSA-N 306.365 3.416 0 40 DGAB O=C(OCc1nc(-c2cccc(Cl)c2)no1)c1ccccn1 8287904 ACORGZXSZWXECC-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB Cc1ccc(NC(=O)c2cc(Cl)c3c(c2)OCO3)c(O)c1 8745869 UIFJIXPHONXYJT-UHFFFAOYSA-N 305.717 3.335 0 40 DGAB Cc1nc2scc(C)n2c(=O)c1NC(=O)CC1CCCCC1 8931751 OYNICWGXRUMBAS-UHFFFAOYSA-N 319.430 3.282 0 40 DGAB Clc1nc(NCCc2c[nH]c3ccccc23)c2nc[nH]c2n1 9054056 JFYKCGUPRVSNBC-UHFFFAOYSA-N 312.764 3.142 0 40 DGAB CCCCNC(=O)Cc1csc(-c2ccc(OC)cc2)n1 9305669 LUOBEQMIAVZFHK-UHFFFAOYSA-N 304.415 3.278 0 40 DGAB Cc1cc(NC(=O)COc2ccc(Br)cc2)ccn1 9482710 FGQPYFCKIVNDBX-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)cc1 9747539 CLTSIVLXHUDKSR-UHFFFAOYSA-N 314.772 3.485 0 40 DGAB O=C(/C=C/c1cccs1)Nc1nnc(Cc2cccs2)o1 11694643 VPQLGNVLVRXCKE-AATRIKPKSA-N 317.395 3.435 0 40 DGAB COc1ccc(NC(=S)Nc2ccc(CC(=O)O)cc2)cc1 13813366 ZPIJTMPBLNEBNM-UHFFFAOYSA-N 316.382 3.131 0 40 DGAB CCCc1n[nH]c(S[C@H](C)C(=O)Nc2ccc(CC)cc2)n1 14076207 UWAXQLCOYSHCIS-LLVKDONJSA-N 318.446 3.439 0 40 DGAB O=C(Cc1ccc(F)cc1)Nc1cnc(-c2ccccc2)nc1 14247058 PDDZKDBHCABKBA-UHFFFAOYSA-N 307.328 3.464 0 40 DGAB Cc1nnc(NC(=O)CCc2nc3ccccc3s2)s1 14715951 BQQHCBLHXNSRHA-UHFFFAOYSA-N 304.400 3.028 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](C)CCc1ccc(F)cc1 19580426 VXTMFFLLMUCVSQ-LLVKDONJSA-N 304.365 3.111 0 40 DGAB CCc1ccc(N2C(=O)C[C@H](N[C@H](C)c3ccccc3)C2=O)cc1 20082273 IUZKATVGXGGGGI-KDOFPFPSSA-N 322.408 3.232 0 40 DGAB COc1cc(NC(=O)c2cc(Cl)ccc2O)cc(OC)c1 20563764 KVUDBNVXTFHBME-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB CCOC(=O)CC(=O)c1ccc(OCc2ccccc2)cc1O 22058991 XEKOBMBXJCOCPI-UHFFFAOYSA-N 314.337 3.107 0 40 DGAB in-vitro C[C@@H](Oc1ccccc1)C(=O)NCCCN(C)c1ccccc1 23428199 QFKBCNAWJCJVOF-MRXNPFEDSA-N 312.413 3.097 0 40 DGAB CN(Cc1ccc(F)cc1)Cc1nc(O)c2sccc2n1 23990307 YUJLBARCUSVHKL-UHFFFAOYSA-N 303.362 3.168 0 40 DGAB O=C(CN(Cc1ccccc1)C1CC1)Nc1ccc2c(c1)OCO2 25119308 GVEKZBRCXVIISI-UHFFFAOYSA-N 324.380 3.018 0 40 DGAB CC(=O)c1csc(NC(=O)Cc2c(F)cccc2Cl)n1 25256173 ZFONKTXSACHTGF-UHFFFAOYSA-N 312.753 3.319 0 40 DGAB CON(C)C(=O)c1ccc(-c2nnc(-c3ccccc3C)o2)cc1 25715011 UDFOCLRIAFQMAA-UHFFFAOYSA-N 323.352 3.345 0 40 DGAB Cc1ccccc1Cn1cc(NC(=O)Cc2cccs2)cn1 27920211 RXYOPYQHDRQYLD-UHFFFAOYSA-N 311.410 3.483 0 40 DGAB CCc1sc2nc(O)n3nc(-c4ccoc4)nc3c2c1CC 28443661 QOYVZZFTHMCXAU-UHFFFAOYSA-N 314.370 3.429 0 40 DGAB O=C(CCc1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)[nH]1 29389628 STGZIPSWXZUKOE-UHFFFAOYSA-N 318.686 3.048 0 40 DGAB COc1cccc(CNCc2cnn(-c3ccccc3)c2)c1OC 30654010 LCVIACVIMYGRMX-UHFFFAOYSA-N 323.396 3.179 0 40 DGAB CSC1=N/C(=C\c2cccs2)C(=O)N1CN1CCCCC1 31872395 ZPGSTKDPLVBGHF-RAXLEYEMSA-N 321.471 3.094 0 40 DGAB O=C(c1ccc[nH]c1=O)N1CCC[C@@H]1c1ccc(Cl)cc1 32796224 JKKQSNMGUKVSHW-CQSZACIVSA-N 302.761 3.006 0 40 DGAB O=C(Nc1ncccc1O)c1ccc(CN2CCCCC2)cc1 32845109 JBINIUMAWZPMES-UHFFFAOYSA-N 311.385 3.025 0 40 DGAB CCc1noc(-c2ccccc2NC(=O)Cc2ccccc2)n1 33012707 KWIUCHUAMPJNQN-UHFFFAOYSA-N 307.353 3.480 0 40 DGAB CC(C)(C)C[C@H](NC[C@H]1CCS(=O)(=O)C1)c1ccccc1 38083628 CZMHJJDBNJLLPE-ZBFHGGJFSA-N 309.475 3.188 0 40 DGAB COCCN(C(=O)c1sc2nc(C)cc(C)c2c1C)C1CC1 40145519 TWWOCXOMFGKWMC-UHFFFAOYSA-N 318.442 3.473 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(Br)c(N)c2)C1 40294693 AQOCWOGSMNTVTJ-AOOOYVTPSA-N 311.223 3.149 0 40 DGAB CCCc1noc([C@H](C)Nc2ccc(N3CCCC3=O)cc2)n1 40496493 ZDWCTNPSQWOHRK-LBPRGKRZSA-N 314.389 3.322 0 40 DGAB CCOc1ccc2cc(S(=O)(=O)NC(C)(C)C)ccc2c1 41092007 KONJTSUTZJAWOZ-UHFFFAOYSA-N 307.415 3.315 0 40 DGAB O=c1[nH]c2cc(Br)cc(Br)c2s1 44712729 WTNIALHVBLKMLB-UHFFFAOYSA-N 308.982 3.115 0 40 DGAB COC(=O)c1ccc2c(c1)CCN2C(=O)c1sccc1C 44896425 KOGUTHZKAXIFMR-UHFFFAOYSA-N 301.367 3.046 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H](C)[C@@H]1CCCO1 46972192 KMGCEQAYUOAPSP-YUTCNCBUSA-N 308.447 3.334 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1C[C@@H]1[N+](=O)[O-] 47242346 LLSQNJOAJVFYEM-MNOVXSKESA-N 313.338 3.053 0 40 DGAB CC(=O)c1cc(C(=O)N(C)[C@@H](C)c2ccc(F)cc2)n(C)c1 53307467 POIFOWYFSYXRDF-NSHDSACASA-N 302.349 3.200 0 40 DGAB Cc1ccccc1OC[C@@H](C)NC(=O)[C@H](C)Oc1ccccc1 55693341 JLVRZIUNLMBPIX-CVEARBPZSA-N 313.397 3.346 0 40 DGAB O=C(NC[C@@H](O)c1ccsc1)C1(c2cccs2)CCCC1 56906304 YPAPRUOYYZBVTN-CYBMUJFWSA-N 321.467 3.471 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1 57557632 GYZODYBYQGDNPY-MRXNPFEDSA-N 308.337 3.113 0 40 DGAB CCOC(=O)CSCc1cc(Cl)c2c(c1)OCCCO2 58356330 DPGUZQBTCYTOCM-UHFFFAOYSA-N 316.806 3.298 0 40 DGAB Cn1nccc1C(=O)Nc1nc(-c2cc(F)ccc2F)cs1 63451954 WRNFINCIDATZSZ-UHFFFAOYSA-N 320.324 3.074 0 40 DGAB CN(Cc1ccco1)C(=O)NCc1cccc(Br)c1 63797244 ROBLXUQCDGFMQB-UHFFFAOYSA-N 323.190 3.384 0 40 DGAB Cc1nc(S)sc1CC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924775 MISIIYSINYZQOK-MPEURRAXSA-N 322.499 3.320 0 40 DGAB COCCN(C(=O)c1cc(F)c(F)c(F)c1)C1CCCC1 69373289 RLBSVDSWCAWBGZ-UHFFFAOYSA-N 301.308 3.135 0 40 DGAB Cc1oc(-c2ccco2)nc1CN(CCO)Cc1ccccc1 69508126 AEMHHRLVYSNFSA-UHFFFAOYSA-N 312.369 3.238 0 40 DGAB Cc1ccc([C@@H](CNC(=O)C[C@H]2C=CCC2)N2CCCC2)o1 69513611 ZZRGAKFSHAJDIB-JKSUJKDBSA-N 302.418 3.197 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@@H](C)CC(=O)OC(C)(C)C)c1 69586222 QCGMPMHBTDVMSQ-NSHDSACASA-N 320.389 3.131 0 40 DGAB CC(=O)c1c[nH]c(C(=O)Nc2nnc(-c3ccsc3)s2)c1 69741304 XNHVEYKUUYVUQM-UHFFFAOYSA-N 318.383 3.050 0 40 DGAB COc1ccc(F)cc1CS[C@@H](C)C(=O)Nc1cc(C)no1 69893191 BXTDFJGVASXRDO-JTQLQIEISA-N 324.377 3.391 0 40 DGAB CC[C@H](C)NC(=O)N(Cc1cccc(O)c1)C1CCC(O)CC1 70017946 FJAKRHIKDHARDW-JEYLPNPQSA-N 320.433 3.006 0 40 DGAB O=C(Nc1ccc2nc(-c3ccncc3)[nH]c2c1)c1ccncc1 71285760 QYYNREVFPLFEJS-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)CC(C2CC2)C2CC2)n1 71870247 BQZRSLKDGWIFFX-KRWDZBQOSA-N 315.461 3.317 0 40 DGAB CCN(Cc1ccoc1)C(=O)NC1CCN(CC=C(C)C)CC1 71885986 SYRKIZYWKOTNTR-UHFFFAOYSA-N 319.449 3.242 0 40 DGAB Cc1n[nH]c(C)c1C[C@H](C)C(=O)Nc1ccc2c(c1)CCCO2 73251939 ZRJZBJSWASEYCC-NSHDSACASA-N 313.401 3.169 0 40 DGAB CC(C)c1csc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)n1 75140480 XOFOPRIHQLDRSE-UHFFFAOYSA-N 313.386 3.304 0 40 DGAB COc1ccc(NC(=O)c2nc(-c3ccccc3)cs2)cn1 77924360 YQGBVEPUCKRKJR-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB C[C@H](NC(=O)NC[C@@](C)(O)c1ccco1)c1cccc(Cl)c1 78939749 GWSPEQIWKMGTON-MEDUHNTESA-N 322.792 3.201 0 40 DGAB Nc1nc(-c2ccc(F)c(F)c2)c2c(n1)-c1ccccc1C2=O 82049723 DOSQBLOOAGRYOJ-UHFFFAOYSA-N 309.275 3.215 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NC(=O)Nc1cccnc1 84641011 MBXJKQFBTIWNCR-NSHDSACASA-N 312.398 3.444 0 40 DGAB CC(=O)N1CC[C@H](NCc2cc3cc(C)ccc3o2)[C@@H](C)C1 89657573 LKLWLNLTMKPMEO-GUYCJALGSA-N 300.402 3.088 0 40 DGAB O=C(OCc1noc(-c2cccc(Cl)c2)n1)c1ccncc1 89774691 GXFPGZLEBXAEFT-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(c2ccccn2)C1 89894305 KVOCAJOSYHKHTP-KGLIPLIRSA-N 305.422 3.211 0 40 DGAB Cc1nn(C)c2ncc(NCc3c[nH]nc3-c3ccccc3)cc12 95350763 WEOHDKOYSJRRPD-UHFFFAOYSA-N 318.384 3.279 0 40 DGAB CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1N[C@@H](C)c1ccncc1 95402485 HYPASAYFPYCQCY-UXLLHSPISA-N 303.450 3.015 0 40 DGAB COCCC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCCC1 95416102 PXGXESYPRDHMCF-UHFFFAOYSA-N 318.421 3.072 0 40 DGAB Cc1ccsc1[C@H]1C[C@H]1C(=O)Nc1nc(C(C)C)nn1C 95431689 SKWJFMUCSOXWJW-WDEREUQCSA-N 304.419 3.051 0 40 DGAB CNc1ncc(C(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)s1 95978689 ILEZEKUDCVXOJC-GFCCVEGCSA-N 323.368 3.440 0 40 DGAB COc1ccccc1CNc1ccc(C)c(S(C)(=O)=O)c1 95999386 IDTGBONHEIQUBR-UHFFFAOYSA-N 305.399 3.019 0 40 DGAB O=C(Nc1cnn(C2CCOCC2)c1)Nc1c(F)cccc1F 96104613 ZXVDEGPFMRBUHP-UHFFFAOYSA-N 322.315 3.157 0 40 DGAB COC[C@H]1COCCC12CCN(Cc1ccccc1F)CC2 96106315 QWQSPCGYEGBALI-INIZCTEOSA-N 307.409 3.091 0 40 DGAB CO[C@@H]1CCN(CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 96110216 HSVAJZRWDUKAAW-VQTJNVASSA-N 317.473 3.301 0 40 DGAB Fc1ccc(-c2cnc3n2C[C@H](CNC2CCCC2)OC3)cc1 96112936 YZPRXELDJYSZBC-INIZCTEOSA-N 315.392 3.120 0 40 DGAB biogenic,in-vitro Cc1cc(NC(=O)NCC2CCC2)ccc1OC1CCOCC1 96416041 XKOCZFASFCNCQZ-UHFFFAOYSA-N 318.417 3.474 0 40 DGAB CS[C@@H](C)c1cccc(NC(=O)N[C@H](CCO)C2CC2)c1 96421958 XVYARHHXEFFTQI-XHDPSFHLSA-N 308.447 3.393 0 40 DGAB CCNC(=O)N1CCC(N[C@H](CC)Cc2ccc(C)cc2)CC1 96492724 HAKLGSJYMYTKGI-QGZVFWFLSA-N 317.477 3.100 0 40 DGAB O=C(Nc1cccc(-c2c(F)cccc2F)c1)N1CC[C@@H](O)C1 96501797 RVZVLOPFCITWOE-CYBMUJFWSA-N 318.323 3.230 0 40 DGAB CC1CCC(O)(CS(=O)(=O)[C@H](C)c2ccccc2F)CC1 97034895 BORKOFWYRAQMRU-MFOWVQHXSA-N 314.422 3.243 0 40 DGAB CCn1c(C)cc(C(=O)N[C@H](CC(=O)O)c2cccs2)c1C 97035376 KCDHMZOQCAWHMO-CYBMUJFWSA-N 320.414 3.132 0 40 DGAB COc1ccc(F)cc1N[C@H](C)c1ccc(S(C)(=O)=O)cc1 97038494 QOIKJODYMDGQFL-LLVKDONJSA-N 323.389 3.411 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1c1nc(-c2ccncc2)no1 98212711 MGQNTIDCHJPOIV-GFCCVEGCSA-N 316.361 3.204 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N(C23CC4C[C@](C)(C2)C[C@](C)(C4)C3)C1 103545065 GJVCUKLNXHBNEQ-UIETYGRLSA-N 319.445 3.147 0 40 DGAB COc1cccc(-c2nnc(-c3c(C)nc4sccn34)o2)c1 216611152 UDKREGPKPIEDKC-UHFFFAOYSA-N 312.354 3.430 0 40 DGAB Cc1cnc(C(=O)N2CCS[C@@H](c3cccs3)CC2)cn1 219522406 ZLKYZAFCGMUSGM-CQSZACIVSA-N 319.455 3.167 0 40 DGAB COc1cccc(OC)c1CNC(=O)c1ccc(Cl)cc1 222942501 KZRDZZIQLZWSFR-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB COc1ccc(O[C@H](Cc2cc(C)ccc2OC)C(=O)O)cc1 225118322 FPJNURXKGQKRFK-QGZVFWFLSA-N 316.353 3.087 0 40 DGAB CCOc1ccc([C@@]2(C)NC(=S)N(c3ccccc3)N2)cc1 225344303 NTOCANWJJIQSJH-KRWDZBQOSA-N 313.426 3.157 0 40 DGAB CCOC(=O)COc1ccc(NC(=O)C2(C)CCCC2)cc1 225946059 SLESNWPDIRJHBF-UHFFFAOYSA-N 305.374 3.147 0 40 DGAB CN(C)C[C@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 252494222 NOSNLCQRJPPGCO-HNNXBMFYSA-N 321.808 3.035 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)n1 257242964 IEXUFUCGKOCGKQ-ZDUSSCGKSA-N 313.401 3.128 0 40 DGAB Cc1nc(Nc2ncc(C)s2)cc([C@H]2CCN(C(C)C)C2)n1 257300723 RVLNYMOCTOWCPI-ZDUSSCGKSA-N 317.462 3.491 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N[C@H](CO)c1c(F)cccc1F 285685320 BPADDVWGLOALDD-CQSZACIVSA-N 323.339 3.453 0 40 DGAB Cc1ncc(C(=O)Nc2ccc(N3CCCCC3)cn2)s1 332120406 IFBQGLHDJDGGFA-UHFFFAOYSA-N 302.403 3.089 0 40 DGAB COc1ccc(NC(=O)CN2Cc3cc(C)c(C)cc3C2)cc1 409201247 OWRIDHDNIKCQGL-UHFFFAOYSA-N 310.397 3.266 0 40 DGAB Cc1nc(S[C@@H]2CCCN(C)C2=O)[nH]c1Cc1ccccc1 539806217 DSRSIVIFTAWJAW-OAHLLOKOSA-N 315.442 3.022 0 40 DGAB O[C@H]1C[C@@H](c2ccccc2C(F)(F)F)N(Cc2ccno2)C1 547771492 VLWQYSMLEKXRLV-HZMBPMFUSA-N 312.291 3.001 0 40 DGAB CCc1nccn1[C@H]1CCCN(c2nccc(C(C)(C)C)n2)C1 549121287 CKMKSGVPRVUKTD-AWEZNQCLSA-N 313.449 3.375 0 40 DGAB C[C@@]1(Cc2ccccc2F)Oc2ccccc2[C@H]1OCC(=O)O 585263427 LIBKUWXGSMIYPG-MSOLQXFVSA-N 316.328 3.362 0 40 DGAB CC(C)C[C@@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1 248265 SCVMAVKSNVTPBD-MRXNPFEDSA-N 320.433 3.007 0 40 DGAB CCOC(=O)Cn1nc(C)c2c1N=C(O)C[C@H]2C1CCCCC1 71281753 MXVLBUAGHQUFGF-ZDUSSCGKSA-N 319.405 3.410 0 40 DGAB CC1=Nc2c(c(O)nn2C(C)C)[C@@H](c2c(C)nn(C)c2C)S1 71284509 XRQDXPASUVGCJW-CYBMUJFWSA-N 319.434 3.406 0 40 DGAB Cc1cn2c(CNCCCN3CCCC[C@H]3C)c(C)nc2s1 78778110 XMLPWAZKZOOGOK-CYBMUJFWSA-N 320.506 3.367 0 40 DGAB CCN[C@H](C1CCCCC1)[C@@H](C)OC(=O)c1ccc(N)cc1 1711722 AAHFSQZVCCRFLB-DYVFJYSZSA-N 304.434 3.373 0 40 DGAB CC(=O)c1cccc2cc(CC(=O)c3ccccc3)c(=O)oc12 1715332 DSMGLWZIHYSTTQ-UHFFFAOYSA-N 306.317 3.421 0 40 DGAB CCCCOC(=O)[C@@H](C)OC(=O)Nc1cc(C)ccc1OC 2045471 XLOXJEDAIUVMHD-GFCCVEGCSA-N 309.362 3.284 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@H](c2ccc(F)cc2)C1(F)F 3185363 ZIXKEBBJKLUULS-CQSZACIVSA-N 321.254 3.278 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cccc(N(C)C)c2)c1 4900864 DENDHMVQDYTDQQ-UHFFFAOYSA-N 312.369 3.100 0 40 DGAB Cc1cccc(N2CCN(C[C@@H](O)c3ccccc3)CC2)c1C 25666504 LSMOWLIFVZSBLO-HXUWFJFHSA-N 310.441 3.159 0 40 DGAB O=C(OC/C=C/c1ccccc1)c1cc(=O)[nH]c2ccccc12 7679865 NUHFRLGUFKBIEQ-RMKNXTFCSA-N 305.333 3.398 0 40 DGAB CCOc1ccc(OCCn2nnc(-c3ccc(C)cc3)n2)cc1 7779854 YMYZNRDZFINGIF-UHFFFAOYSA-N 324.384 3.126 0 40 DGAB Cc1ccc(CN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)cc1 7974641 VVZBQDWIAOCXDQ-FQEVSTJZSA-N 322.408 3.438 0 40 DGAB Cc1ccc(-n2nc3cc(C)c(N)c(Br)c3n2)cc1 8729522 WOWPFZWBUCONKO-UHFFFAOYSA-N 317.190 3.382 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN(C[C@H](O)c2ccccc2)C1 27573653 MNAUZBASDLSNEB-MJGOQNOKSA-N 324.424 3.071 0 40 DGAB COc1ccc(CC2CCN(C(=O)C[C@@H]3CCCO3)CC2)cc1 58298709 UYKZVUHTBWCGOC-SFHVURJKSA-N 317.429 3.045 0 40 DGAB CS[C@H](C)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 58342885 YZHCAAIXRAZKBU-CYBMUJFWSA-N 317.458 3.219 0 40 DGAB C[C@@H](Sc1nc(N)cc(N)n1)c1ccc(OC(F)F)cc1 58440707 OITDXXOPXIVKQN-SSDOTTSWSA-N 312.345 3.096 0 40 DGAB CONC(=O)c1cc2c(C)nn(-c3cccc(Cl)c3)c2s1 10635975 BDFHPVQLCRTXBU-UHFFFAOYSA-N 321.789 3.340 0 40 DGAB CC(C)NC(=O)c1cc(=O)c(OCc2ccc(Cl)cc2)co1 11856647 ZMVPHEMCRRTZHF-UHFFFAOYSA-N 321.760 3.010 0 40 DGAB CN(C)C1(CNC(=O)Cc2ccc(Cl)cc2)CCCCC1 11917188 CQNKWCDMWRCQHH-UHFFFAOYSA-N 308.853 3.263 0 40 DGAB COC(=O)c1ccccc1NC(=O)[C@H](C)Oc1cccc(C)c1 2761261 IIZOBRCOASTFMJ-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB COc1cccc(C(=O)NCCCCN2C[C@@H](C)C[C@H](C)C2)c1 47038478 RQZRQDRWGILPMV-HOTGVXAUSA-N 318.461 3.183 0 40 DGAB CN(C(=O)COC(=O)/C=C/c1cccs1)C1CCCCC1 3228489 NOIUWCHNYOSHAE-MDZDMXLPSA-N 307.415 3.096 0 40 DGAB C[C@H]1CCCN(C(=O)CN2CCC[C@@H]2Cc2ccc(F)cc2)C1 48288926 ZNWWVKUUXAAAMO-MAUKXSAKSA-N 318.436 3.091 0 40 DGAB CCOC(=O)C(=O)c1c(-c2ccc(C)cc2)nc2ccccn12 3399170 YWOUBJPQERHRGI-UHFFFAOYSA-N 308.337 3.056 0 40 DGAB COc1ccc(C(C)=O)cc1COc1ncnc2sccc12 3512503 GXTFVZDCGNYLCP-UHFFFAOYSA-N 314.366 3.482 0 40 DGAB O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CC2)cc1 12922996 RCPRLLYMTGFXEA-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB CCC(C)(C)NCC(=O)Nc1cc(C)nn1-c1ccccc1C 12978798 FNAKCTCKAZSPKM-UHFFFAOYSA-N 314.433 3.206 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1 13387990 HHVLHRYPYALHDG-JTQLQIEISA-N 321.423 3.244 0 40 DGAB O=C(NCCSCC(F)(F)F)c1cccc2cccnc12 95455563 CPBKIASIDSICNP-UHFFFAOYSA-N 314.332 3.260 0 40 DGAB COc1cc2cc(C(=O)NCc3ccccc3)[nH]c2cc1OC 5268389 NTIDRMYTRBUXHI-UHFFFAOYSA-N 310.353 3.115 0 40 DGAB CCc1c(OCc2ccc(Cl)cc2)nc2n(c1=O)CCS2 9305062 GFNLNZWPYCHHBA-UHFFFAOYSA-N 322.817 3.144 0 40 DGAB CC(=O)Nc1ccc(C(=O)N2CC[C@@H]3CCCC[C@H]3C2)cc1 9336296 NXYCPGIQTTVHOZ-HOCLYGCPSA-N 300.402 3.297 0 40 DGAB Cc1ccc(CC(=O)NCc2ccc(-n3ccnc3)cc2)cc1C 20453347 ZPTLYJFAORFIAA-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)C1 96455145 SKYVATVIXRAFBJ-BYNSBNAKSA-N 314.495 3.021 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccc[nH]1 71818746 NKZSNSWJHBCBEJ-OAHLLOKOSA-N 312.369 3.040 0 40 DGAB O=C(CCCn1c(=O)oc2ccccc21)Nc1ccccc1F 8289085 WABVEKJIJDRGTE-UHFFFAOYSA-N 314.316 3.153 0 40 DGAB CC[C@H](CO)NCc1ccccc1OCc1ccc(F)cc1 8337139 YQSQFDLICQVDOZ-QGZVFWFLSA-N 303.377 3.265 0 40 DGAB C[C@H](NCCCc1nc(-c2cccs2)no1)c1cccnc1 69485130 TYKZFTYKSNWKDC-LBPRGKRZSA-N 314.414 3.477 0 40 DGAB Cc1nn(C(C)(C)C)c(C)c1C(=O)N1CCO[C@H]2CCCC[C@@H]21 69512958 YBISTGLAQSWLRU-GJZGRUSLSA-N 319.449 3.039 0 40 DGAB COc1ccc(C(=O)N2CCC(c3nc(C)cs3)CC2)cc1 69657622 IQJCUOANCCOMGM-UHFFFAOYSA-N 316.426 3.480 0 40 DGAB CC(C)(C)NC(=O)CSCc1noc(-c2ccc(F)cc2)n1 69659549 RTTJKXKHLPLMDT-UHFFFAOYSA-N 323.393 3.024 0 40 DGAB COCCOc1cccc(C(=O)Nc2ccc(Cl)nc2)c1 69702680 KOSGXQZCNQNQTJ-UHFFFAOYSA-N 306.749 3.013 0 40 DGAB CC[C@H]1C[C@H]1NC(=O)c1cccnc1SCc1cc(C)on1 71908212 TVMJEJDAKVXRSH-SMDDNHRTSA-N 317.414 3.199 0 40 DGAB Cc1ccc(-n2ncc(C(=O)N[C@@H](C)c3ccccc3)c2N)cc1 8844424 OBIIKMGRWCUJSB-AWEZNQCLSA-N 320.396 3.254 0 40 DGAB C[C@H](NC[C@@H]1COC2(CCOCC2)O1)c1cc2ccccc2o1 97038991 VPZBWVWQRPQORI-DZGCQCFKSA-N 317.385 3.006 0 40 DGAB C[C@H](NC(=O)N1CCC[C@@H](O)C1)c1csc2ccccc12 72268284 PPLXEVKGQCCOJF-NWDGAFQWSA-N 304.415 3.129 0 40 DGAB CN(C(=O)c1cc(C(=O)O)co1)[C@H](c1ccc(F)cc1)C1CC1 97115278 RFRFHMFPHWMJCE-HNNXBMFYSA-N 317.316 3.340 0 40 DGAB CO[C@H](CNC(=O)CC[C@@H]1CCCO1)c1cccc(Cl)c1 76067407 AFZRPVGBDZJRNH-LSDHHAIUSA-N 311.809 3.103 0 40 DGAB c1ccc(-c2cnc3n2C[C@@H]2CN(Cc4ccoc4)C[C@@H]2C3)cc1 306133952 NAFLIOPQGUPNNO-ROUUACIJSA-N 319.408 3.447 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 20495004 ALUZBVLEFAIWSA-GFCCVEGCSA-N 301.342 3.110 0 40 DGAB Cc1cc(-n2cc(C(=O)NC3CCCCCC3)nn2)ccc1F 67261948 WYPHZVQEUZDJNS-UHFFFAOYSA-N 316.380 3.167 0 40 DGAB COc1ccc(NC(=O)Nc2ccc3c(c2)OCO3)cc1F 39972954 OZTSYBXAWWYYQU-UHFFFAOYSA-N 304.277 3.207 0 40 DGAB COc1ccc2c(c1)[C@H](O)C[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12 77302953 SGKSNEXYMMIQKE-NHUKNTKWSA-N 302.414 3.403 0 40 DGAB in-vitro Cc1cc(NC(=O)c2nnsc2-c2ccc(Cl)cc2)no1 72242928 UFMVDQKUVPSXFW-UHFFFAOYSA-N 320.761 3.407 0 40 DGAB COc1ccccc1C(=O)N1CCC[C@@H](Cc2nccs2)C1 72385162 YWMDCEJDUHIFDZ-ZDUSSCGKSA-N 316.426 3.247 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)N[C@@H]3C[C@@H]4CC[C@@H]3C4)cc2)n1 225286610 VPXKUWAJYYUJAP-BHIYHBOVSA-N 323.440 3.467 0 40 DGAB CCCSc1nnc(NC(=O)[C@@H](C)Oc2ccccc2)s1 223031135 YHRQFSPRSGJUET-SNVBAGLBSA-N 323.443 3.446 0 40 DGAB COCc1cc(C(=O)Nc2ccc(F)cc2F)ccc1OC 224397591 KZCZHFLMMSUHPX-UHFFFAOYSA-N 307.296 3.372 0 40 DGAB CCc1nc(CNc2nnc(-c3ccc(OC)cc3)o2)cs1 195571521 FUSYQZUOAJMZLX-UHFFFAOYSA-N 316.386 3.376 0 40 DGAB CCOC(=O)CCCOc1cc(F)ccc1Br 95733950 ZOTLBDTUCKWHAS-UHFFFAOYSA-N 305.143 3.310 0 40 DGAB CCc1ccc([C@H](COC)NC(=O)c2sccc2OC)o1 96423278 XWHPWYKUGGQZLW-NSHDSACASA-N 309.387 3.030 0 40 DGAB Cn1ncc2c1[C@H](COCC1CC1)CN(Cc1cccs1)C2 96198266 LFNCHUOGYUMGLH-HNNXBMFYSA-N 317.458 3.008 0 40 DGAB C/C(=C\C(=O)N[C@H]1CCN2CCC[C@H]2C1)c1ccccc1Cl 584906666 YDYQGEWZOQCXAA-CYAURGIBSA-N 318.848 3.486 0 40 DGAB Cc1cn(S(=O)(=O)c2ccccc2C)c(-c2ccccc2)n1 256055539 KFDRUSLMPLNXJB-UHFFFAOYSA-N 312.394 3.404 0 40 DGAB COc1cccc(C(=O)Nc2ccc3c(c2)CCCC(=O)N3)c1 252496698 PPBYSLYDTNJHMT-UHFFFAOYSA-N 310.353 3.222 0 40 DGAB CC(=O)N1CCC[C@H](c2ccc(-c3ncc(C)s3)cn2)C1 257232299 GKGQATUQKQGRHC-AWEZNQCLSA-N 301.415 3.239 0 40 DGAB O=C(c1cccnc1)N1CCC[C@@H](Cc2cnc3[nH]ccc3c2)C1 257325903 WUYBIGAWAHXCBM-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)Nc1ccccc1F 390827754 JVUCGTQAEXOMGT-CYBMUJFWSA-N 318.352 3.235 0 40 DGAB CCOCC(=O)Nc1ccc(OC(C)C)cc1C(F)(F)F 69705848 XVHAWHFUCLRNLZ-UHFFFAOYSA-N 305.296 3.468 0 40 DGAB O=C(CCS(=O)(=O)c1cccc(Cl)c1)Nc1ccccc1 62106689 ALNDOLNLNLHPNZ-UHFFFAOYSA-N 323.801 3.143 0 40 DGAB c1ccc2oc([C@@H]3CCCN(C[C@@H]4CCCOC4)C3)nc2c1 675515991 UHOZUKMGDZCKOK-LSDHHAIUSA-N 300.402 3.434 0 40 DGAB C[C@@H]1CN(C)[C@H](C)C[C@H]1NC[C@@H](c1ccccc1)C(C)(C)CO 90657718 MSOPXUOKPTWALB-ZAWLATJESA-N 318.505 3.107 0 40 DGAB CC[C@@H](O)CCNC(=O)Nc1cccc(C)c1Br 95945553 OPXCOIVNOLLDOZ-SNVBAGLBSA-N 315.211 3.040 0 40 DGAB Fc1cccc(NC(=S)C(=S)NCc2cccnc2)c1 1505839961 UHCGLLOKTZORPC-UHFFFAOYSA-N 305.403 3.077 0 40 DGAB Cc1nn(C)cc1-c1nc2cnccn2c1NCc1ccccc1 12113904 QOZCNLPAFCTXLT-UHFFFAOYSA-N 318.384 3.050 0 40 DGAB Cc1cccc(OCCn2cncc2-c2cn(C)nc2C)c1C 19719438 HSYUTZAJAYRQLZ-UHFFFAOYSA-N 310.401 3.288 0 40 DGAB O=C(C1CC1)N1CCC(c2ccc3cc(Cl)cnc3n2)CC1 1888856643 PLLFMUYWPSRLOX-UHFFFAOYSA-N 315.804 3.399 0 40 DGAB Cc1cnc(NC(=O)c2ccc3nc(C(C)(C)C)cn3n2)s1 1888947700 HHIFKHPXAOGMGM-UHFFFAOYSA-N 315.402 3.044 0 40 DGAB COc1ccc(C(=O)NCc2ccc3c(c2)cc(C)n3C)cc1 4061482 RKTUGFMPAHNAQA-UHFFFAOYSA-N 308.381 3.425 0 40 DGAB CCOc1ccccc1[C@H]1[C@H]2CCCC[C@@]2(O)CCN1C(C)=O 491035 CTGDXOZPIXKQGX-NZSAHSFTSA-N 317.429 3.300 0 40 DGAB biogenic O=C(NCc1cccnc1OC1CCCC1)Nc1nccs1 40096133 AJCKIDHHIWFCCE-UHFFFAOYSA-N 318.402 3.181 0 40 DGAB Cc1nc2ccccc2c(=O)n1C[C@@H](O)c1ccc(Cl)cc1 31560836 XTMQXYGOVCDXDE-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB O=C(Nc1ccncc1Br)c1cc(Cl)ccn1 40816404 LXVHPYGZJGOQSJ-UHFFFAOYSA-N 312.554 3.145 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)NC(C1CC1)C1CC1 21348115 PPUGURYFBDVEFT-UHFFFAOYSA-N 320.392 3.105 0 40 DGAB CN(C)C(=O)[C@@]12CC[C@@](C)(c3nc4ccccc4nc31)C2(C)C 347065 MVOPGXWXHAQHAY-RBUKOAKNSA-N 309.413 3.047 0 40 DGAB CC(=O)Nc1ccc(C2=N/C(=C/c3cccs3)C(=O)O2)cc1 32084 NIZLFCROPVAYGZ-NTEUORMPSA-N 312.350 3.051 0 40 DGAB C[C@@H]1CCCC[C@@H]1N1CCN(C(=O)c2cccc(F)c2)CC1 300489 HBHDQNPFGNFTOS-PBHICJAKSA-N 304.409 3.162 0 40 DGAB COc1cccc2cc(NC(=O)C3CCCCC3)c(=O)oc12 381537 WVUQUXZEAUCRBK-UHFFFAOYSA-N 301.342 3.320 0 40 DGAB CC(C)Oc1ccc([C@H](CC(=O)N2CCOCC2)C(C)C)cc1 554443 WXECQPGLVNKPCB-GOSISDBHSA-N 319.445 3.462 0 40 DGAB O=C(NCc1ccccc1Cl)NC(=O)c1ccc(F)cc1 938248 PNWJYXOYPIAEBL-UHFFFAOYSA-N 306.724 3.119 0 40 DGAB CCOC(=O)c1cc2occc2n1CC(=O)N(C(C)C)C(C)C 1337851 QZTAQTOESSMDOB-UHFFFAOYSA-N 320.389 3.056 0 40 DGAB CCCOc1ccc(NC2=NS(=O)(=O)c3ccccc32)cc1 1780718 UUHVTDWFZKUSAM-UHFFFAOYSA-N 316.382 3.036 0 40 DGAB COC[C@H](C)n1c(C)cc(C(=O)CSc2ncccn2)c1C 2637579 YSNPVESHMZGIBI-LBPRGKRZSA-N 319.430 3.077 0 40 DGAB O=C(O)[C@@H]1[C@@H](C(=O)Nc2ccc(Cl)cc2)[C@H]2C=C[C@@H]1C21CC1 2843358 ASDPUUJYSFIGGI-RFGFWPKPSA-N 317.772 3.192 0 40 DGAB CCCCO[P@@](C)(=O)O[C@@H](C(=O)OCC)C(F)(F)F 3183370 BBBFSMOJRZSRHP-WPCRTTGESA-N 306.217 3.137 0 40 DGAB CCOC(=O)c1sc(NC(=O)Nc2ccc(F)cc2)nc1C 3354904 VQFQYNMOQQRZTP-UHFFFAOYSA-N 323.349 3.411 0 40 DGAB C[C@H](OC(=O)c1cccnc1Cl)C(=O)Nc1ccccc1F 3396961 NLNMOEXRMFXCDE-VIFPVBQESA-N 322.723 3.058 0 40 DGAB Cc1noc(C)c1C(=O)Nc1ccc(OC(F)(F)F)cc1 3533514 YKAVVVMSSCBMLG-UHFFFAOYSA-N 300.236 3.442 0 40 DGAB CCSc1nnc(SCC(=O)NC2CCCCC2)s1 3544444 IWHORSQXJVPIRG-UHFFFAOYSA-N 317.505 3.191 0 40 DGAB CCCC(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 4275392 APDZNCBMCKYUEF-UHFFFAOYSA-N 304.371 3.320 0 40 DGAB O=C([C@H]1CCCN(Cc2cccc(F)c2)C1)N1CCCCC1 4746288 NXQACWRWSZGMQE-INIZCTEOSA-N 304.409 3.050 0 40 DGAB CC(=O)Oc1cccc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)c1 5363029 CORWOPCZNGUKON-BOPFTXTBSA-N 321.332 3.265 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)CSc2ccccn2)c1C 5622221 ZNJHEAUCCOGDAP-UHFFFAOYSA-N 318.398 3.178 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)Cc2ccc(F)cc2)c1 5634233 KWTIDFZUTHCPTK-UHFFFAOYSA-N 315.344 3.167 0 40 DGAB Cc1nc(C(F)(F)F)c(-c2n[nH]c(-c3ccccn3)n2)s1 5753145 KOMAJQHKMIWYKT-UHFFFAOYSA-N 311.292 3.317 0 40 DGAB CC(=O)c1cccc(NC(=O)Cn2cc(C=O)c3ccccc32)c1 5944225 SMMHGLKECJRJMU-UHFFFAOYSA-N 320.348 3.295 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1 7400882 XCGQQQQWGORCSZ-OAHLLOKOSA-N 314.429 3.287 0 40 DGAB COc1ccccc1CCNC(=O)c1cccc(OC(F)F)c1 7793391 UHWJGCSOWIGBQM-UHFFFAOYSA-N 321.323 3.269 0 40 DGAB O=C(C[C@@H]1Oc2ccccc2NC1=O)Nc1cccc(Cl)c1 7917594 BWRVXFBNFFOTPZ-AWEZNQCLSA-N 316.744 3.068 0 40 DGAB CCC(=O)Nc1cc(Br)c(N)c(Br)c1 8702105 CXBFKYWPGQPBCE-UHFFFAOYSA-N 322.000 3.142 0 40 DGAB CCN(Cc1cccs1)C(=O)NCc1ccc2c(c1)OCO2 9449429 VFUNFOLRISLFRK-UHFFFAOYSA-N 318.398 3.209 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N(C)CCOc2ccc(Cl)cc2)c1 11003769 LJNFVGUTDBZFJS-UHFFFAOYSA-N 320.776 3.022 0 40 DGAB Cc1ccc(-c2ccc(N3CCC[C@@H](C(=O)O)C3)nn2)cc1C 11568022 JMDBUWLNGIPVIZ-OAHLLOKOSA-N 311.385 3.061 0 40 DGAB COc1ccc([C@@H](CNC(=O)c2ccccc2)N2CCCC2)cc1 12062833 CBJCXRMJLGAESC-LJQANCHMSA-N 324.424 3.262 0 40 DGAB biogenic Cc1cc([C@H]2CCCCCN2Cc2c(C)nn(C)c2C)no1 12186591 UMJKARGYHQAWPI-QGZVFWFLSA-N 302.422 3.451 0 40 DGAB Cc1n[nH]c(C)c1CC(=O)Nc1ccc(N2CCCCC2)cc1 12594943 JDMPUJNXYNXTMK-UHFFFAOYSA-N 312.417 3.198 0 40 DGAB Cc1ccc(CNC(=O)c2cccc(CN3CCCC3=O)c2)cc1 14202444 OFPFYTRPJNKOTM-UHFFFAOYSA-N 322.408 3.047 0 40 DGAB O=S(=O)(Nc1ccc(Cl)cc1)c1ccc(Cl)nc1 16101364 RDIYZBOQBUKBNP-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB Cc1ccc(C(=O)N2CCN(Cc3ccccc3)CC2)cc1C 19832578 QXGDZVGHVNKDCN-UHFFFAOYSA-N 308.425 3.261 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)N2CCc3sccc3C2)cc1 21628383 KIVMBKFQTUFYHL-UHFFFAOYSA-N 323.421 3.441 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2cc(F)c(F)cc2Cl)c1 24039434 KYQQNENMFRBSNM-UHFFFAOYSA-N 324.714 3.230 0 40 DGAB CCOc1ccc(-c2nonc2NC(=O)CC(C)C)cc1C 27746538 OWEDQYDPIQRFPD-UHFFFAOYSA-N 303.362 3.428 0 40 DGAB COc1ccc(F)cc1-c1csc(CCN2CCCC2=O)n1 30447661 CBICFHSRORKOHF-UHFFFAOYSA-N 320.389 3.123 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H](c2ccccc2)C2CC2)cc1 32865704 NBLZZBWDIQNMEK-FQEVSTJZSA-N 322.408 3.455 0 40 DGAB CCc1nnc(C2CCN(C(=O)c3ccccc3F)CC2)s1 38666583 UKTQXIIPHWTXJP-UHFFFAOYSA-N 319.405 3.259 0 40 DGAB Cc1cc(NC(=O)N[C@H]2CC(C)(C)Cc3oc(C)cc32)n(C)n1 40119142 NGDDMZVUUBCDFG-ZDUSSCGKSA-N 316.405 3.465 0 40 DGAB O=C(Nc1ccc(-n2cc[nH]c2=O)cc1)c1ccc(Cl)cc1 40152535 WGSCMKIXRFRMDE-UHFFFAOYSA-N 313.744 3.071 0 40 DGAB CC(=O)c1ccc(NC(=O)CCSc2ccccn2)cc1 40480354 MOALBAHNTUFYED-UHFFFAOYSA-N 300.383 3.405 0 40 DGAB Cc1noc(CN2CCC[C@H]2c2nc3ccccc3s2)n1 40487906 ZHIRLWWCXHOLGW-LBPRGKRZSA-N 300.387 3.325 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1cccs1 43929025 OEKDFCICNDFIGS-JTQLQIEISA-N 324.427 3.034 0 40 DGAB C[C@H]1CCCN(Cc2ccc(NC(=O)[C@@H]3CCCO3)cc2)C1 46934229 VKBKOYSZKUGPQJ-YOEHRIQHSA-N 302.418 3.036 0 40 DGAB COc1ccccc1OCCN(C)Cc1ncc(C(C)(C)C)o1 48303288 YCJJNKAMWFVWMW-UHFFFAOYSA-N 318.417 3.492 0 40 DGAB O=C(Cc1cccc2cccnc12)NCCCOc1ccccc1 48343774 XBGZPIVSKLEITK-UHFFFAOYSA-N 320.392 3.363 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1 55763106 KIHNWBJWHBIHCG-UHFFFAOYSA-N 324.424 3.436 0 40 DGAB Cc1cccc(N[C@@H](C)C(=O)NCCc2ccc(F)cc2)c1 57993630 AEYKOCAIMVGDMA-AWEZNQCLSA-N 300.377 3.293 0 40 DGAB COc1ccc(C(=O)Nc2nc(C)c(SC)s2)cc1OC 58113035 NJGGZCDIUUWLSX-UHFFFAOYSA-N 324.427 3.443 0 40 DGAB Cc1cccc(OC[C@@H]2CCCN(C(=O)c3ccncc3)C2)c1 62555842 TZTIDDGJWQRNCJ-MRXNPFEDSA-N 310.397 3.321 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65814244 FKCOGFUESOZDCL-PJPHBNEVSA-N 302.418 3.261 0 40 DGAB CCc1n[nH]c(SCc2nc3cc(F)ccc3n2CC)n1 66256472 NMTCPGICVAUPQP-UHFFFAOYSA-N 305.382 3.168 0 40 DGAB CCCNC(=O)CSCc1ccccc1Br 66315237 PFOAMJDLZPIPTM-UHFFFAOYSA-N 302.237 3.209 0 40 DGAB Cc1n[nH]c2ncc(C(=O)N(Cc3ccsc3)C3CC3)cc12 67329728 NAFVFTWCKJEHEM-UHFFFAOYSA-N 312.398 3.133 0 40 DGAB CCc1nc2ccccc2n1CC(=O)N(C)[C@H](C)c1cccnc1 68170637 ZYUVBMZEGXJKJV-CQSZACIVSA-N 322.412 3.213 0 40 DGAB CCc1cc(=O)oc2cc(O[C@@H](C)c3nc(C)no3)ccc12 69660604 NFWLDRNVSAIJQW-VIFPVBQESA-N 300.314 3.187 0 40 DGAB C[C@H](c1ccccn1)N(Cc1ccccc1)C(=O)c1cnn(C)c1 69743661 LSPSZTQRDZANPG-OAHLLOKOSA-N 320.396 3.219 0 40 DGAB CC(C)(C)OC(=O)N1CCc2cc(NC(=O)NC3CC3)ccc21 69842843 FKWUWGQACQBZKT-UHFFFAOYSA-N 317.389 3.268 0 40 DGAB COc1cc(-c2nc3cc(N)cc(C)c3o2)cc(OC)c1OC 70461467 MSSGCZSUQMSURL-UHFFFAOYSA-N 314.341 3.411 0 40 DGAB CC(C)=CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1 70872715 IDMIUFUJYCQGCJ-AWEZNQCLSA-N 323.396 3.477 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)[C@H]2CCc3ccccc32)n1 71870305 YIDZHHXHRRECPH-HKUYNNGSSA-N 323.440 3.221 0 40 DGAB C[C@@H](c1nnc(-c2ccccc2)o1)N1CCC[C@@H]1Cn1cccn1 71875488 GTMMFPIUXVGZPY-GOEBONIOSA-N 323.400 3.159 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)NC1CCN(CC=C(C)C)CC1 71903939 KLHVYEZFBZFFPY-SFHVURJKSA-N 322.493 3.271 0 40 DGAB COc1cccc(NC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)c1 71908634 QNDSQLPUXQTMBB-NVXWUHKLSA-N 318.417 3.243 0 40 DGAB Cc1cc(N(C)[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)nc(-c2ccncc2)n1 71920865 WJDLVQRVSVDGGL-UAGQMJEPSA-N 324.428 3.097 0 40 DGAB CC[C@@H]1CCc2ccccc2N1CC(=O)N(C)CC(F)(F)F 72313282 SUMSQVAQRRQGLO-CYBMUJFWSA-N 314.351 3.239 0 40 DGAB Cc1cc(C)c(S(=O)(=O)Nc2cc(C)ccc2O)c(C)c1 75106838 UGEGIFHQTBAALT-UHFFFAOYSA-N 305.399 3.427 0 40 DGAB O=C(C[C@@H]1CCCO1)NCCc1nc(C2CCCCC2)cs1 75610169 UQSOOBNUXAFBQJ-AWEZNQCLSA-N 322.474 3.419 0 40 DGAB CCc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2 78403865 PKZFZFPBBZOWOA-LBPRGKRZSA-N 316.426 3.406 0 40 DGAB Cc1nccn1CCCCNC(=O)Nc1nc(C(C)C)cs1 78936440 OBNWNUMXBGVNTI-UHFFFAOYSA-N 321.450 3.373 0 40 DGAB Cn1ccc(CNC(=O)N2CCC[C@@H]2c2ccc(F)c(F)c2)c1 81510606 KTUZZKSXAVFPIG-MRXNPFEDSA-N 319.355 3.350 0 40 DGAB COCCn1ccc2cc(NC(=O)c3scnc3C)ccc21 84065655 HGLVEUOONUWSAW-UHFFFAOYSA-N 315.398 3.305 0 40 DGAB CCS[C@@H]1CC[C@H](NC(=O)N(C)Cc2ccc(O)cc2)C1 84811813 XXTMEYOMNAYPBV-DZGCQCFKSA-N 308.447 3.208 0 40 DGAB COCCN(Cc1ccoc1)C(=O)Cc1ccccc1Cl 85474270 VNDWBSJPHFVJST-UHFFFAOYSA-N 307.777 3.151 0 40 DGAB c1ccc2[nH]c([C@H]3CCCN3c3ccc4nccnc4n3)nc2c1 89866480 NZWSARKQYBFBIS-OAHLLOKOSA-N 316.368 3.243 0 40 DGAB c1cc(CN2CCCC[C@@H]2c2ncc[nH]2)cc(-n2cccn2)c1 92728461 XMDFKRVZFLGPIK-QGZVFWFLSA-N 307.401 3.323 0 40 DGAB CN(CCC1CCN(c2ccncc2)CC1)Cc1ccccn1 92821581 QLIFWUCXTZKBQQ-UHFFFAOYSA-N 310.445 3.215 0 40 DGAB CN(Cc1ccc(OC[C@@H]2CCCO2)cc1)Cc1nccs1 93792512 FKUCUFQWVLEXRA-INIZCTEOSA-N 318.442 3.333 0 40 DGAB CCOc1c(C)cc(-c2noc([C@@H]3CCCNC3)n2)cc1C 95095379 BCCGLVJDNGCDST-CYBMUJFWSA-N 301.390 3.219 0 40 DGAB O=C(c1cscn1)N1CCCCC[C@@H]1C[C@H](O)c1ccco1 95418209 FWXLOIZBFIRVIF-OCCSQVGLSA-N 320.414 3.245 0 40 DGAB CC[C@@H](NC(=O)NCc1cccc(N(C)C)n1)c1cccs1 95438041 YLXSWCZXGMEQSQ-CYBMUJFWSA-N 318.446 3.160 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)N1CCC(N2CCCCC2)CC1 95454497 VBBKBZIOLKUXSJ-HZPDHXFCSA-N 307.482 3.320 0 40 DGAB O=c1oc2cccnc2n1Cc1csc(C2CCCC2)n1 95963306 KPEIXJDHMRGPFD-UHFFFAOYSA-N 301.371 3.152 0 40 DGAB C[C@H]1CC[C@H](C(=O)Nc2cncc(Br)c2Cl)O1 95980704 YLGZERWWYLZDBZ-IMTBSYHQSA-N 319.586 3.004 0 40 DGAB CCN(C(=O)CCc1ccccc1C(=O)O)C1CCCCC1 95991805 SLTDLPUJSZKUEA-UHFFFAOYSA-N 303.402 3.499 0 40 DGAB CO[C@](C)(CNC(=O)/C=C/c1ccco1)c1ccccc1F 96123441 PGLCJJFSRWUUIL-OAGJVSPASA-N 303.333 3.110 0 40 DGAB CC(=O)Nc1sc([N+](=O)[O-])cc1C(=O)c1ccc(Cl)cc1 96190665 DPZATFHQICNEFI-UHFFFAOYSA-N 324.745 3.499 0 40 DGAB CC(C)OCc1cccc(NC(=O)N(C)Cc2cnccn2)c1 96410615 LSCDCNBQPHLGAG-UHFFFAOYSA-N 314.389 3.066 0 40 DGAB CS[C@@H]1CC[C@H](N(C)C(=O)NCCCc2ccc(O)cc2)C1 96462974 FLHXUXPFSHUSEK-GOEBONIOSA-N 322.474 3.250 0 40 DGAB Brc1cc(CSc2ncn[nH]2)c2ncccc2c1 96469374 SQEOPOSGXRUBRN-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB Cc1noc(C)c1[C@@H](C)CC(=O)N1CCSc2ccncc21 96484088 GGGYCLPUAGTDCS-JTQLQIEISA-N 317.414 3.319 0 40 DGAB Cc1ccnc([C@H](NC(=O)c2ccc3ncccc3c2)C2CC2)n1 96487318 ALAPHEOCVHKJCW-QGZVFWFLSA-N 318.380 3.214 0 40 DGAB COc1ccc([C@@H](NC(=O)NCC2CC2)C(F)(F)F)cc1 97100202 PZDKDBFBIFMULU-GFCCVEGCSA-N 302.296 3.008 0 40 DGAB Cc1cc(O)ccc1NC(=O)Nc1cccc([S@@](C)=O)c1 97104807 OGSLEJGKZIVGEL-NRFANRHFSA-N 304.371 3.082 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2CNC(=O)c1ccncc1F 97145640 XRCZSBFOKDOOIH-CYBMUJFWSA-N 314.360 3.079 0 40 DGAB Cc1cccc([C@@H]2CC(c3ccco3)=NN2C(=O)[C@@H]2CCCO2)c1 97165256 GDPGHXTYJINOST-WMZOPIPTSA-N 324.380 3.445 0 40 DGAB C[C@H]1[C@H](C)CCC[C@H]1NC(=O)COc1ccc2c(c1)CCC2 108832973 FUVCXUZCNAREEJ-QWQRMKEZSA-N 301.430 3.495 0 40 DGAB CC(=O)N(C)C1CCN(C[C@@H](C)c2cccc(Cl)c2)CC1 189808533 QZVDNSJSFVELJO-CYBMUJFWSA-N 308.853 3.386 0 40 DGAB C[C@H](O)CCN[C@H](C)c1nc2cc(C(F)(F)F)ccc2n1C 195553590 LUSGTYRQXSEEKN-VHSXEESVSA-N 315.339 3.014 0 40 DGAB COc1ccccc1OCCNC(=O)CCc1ccc(C)cc1 198913341 UJSLTBRKQUBEJY-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB COc1ccc(/C=C/C(N)=O)cc1OCc1ccc(Cl)cc1 216900659 ADTBRHCMHLEAQI-WEVVVXLNSA-N 317.772 3.426 0 40 DGAB CCCC(=O)N(Cc1ccccc1F)[C@H](C)C(=O)N[C@@H](C)CC 223139326 DUSTUZLCJYQQED-UONOGXRCSA-N 322.424 3.258 0 40 DGAB Cc1ccnc(NC(=S)NCCOc2ccccc2Cl)c1 225780933 AABFIERMLVWYGU-UHFFFAOYSA-N 321.833 3.409 0 40 DGAB Brc1ncccc1NCc1ccc2c(c1)OCO2 227927732 HRCPXFIXYWJEES-UHFFFAOYSA-N 307.147 3.185 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 257211769 CAHUNAWRAAGMOK-GOSISDBHSA-N 323.440 3.156 0 40 DGAB CCN(CC)C(=O)[C@@H]1CCC(=O)N(CC)[C@H]1c1ccc(C)cc1 257322384 WFTLCEREOBSBEB-AEFFLSMTSA-N 316.445 3.163 0 40 DGAB C[C@H]1Cc2cc(F)ccc2[C@H](C)N1C(=O)c1cc(C(=O)O)co1 262809465 PAMFJRPVOOTGCO-UWVGGRQHSA-N 317.316 3.265 0 40 DGAB Cn1cc(/C=C2/NC(=O)N(c3ccccc3)C2=O)c2ccccc21 409014489 PQAHCSNDNDQBFM-LFIBNONCSA-N 317.348 3.276 0 40 DGAB C[C@@H]1O[C@H](C)[C@H](C(=O)N2CC3(CCC3)[C@H]2c2ccncc2)[C@@H]1C 529527720 QOGWAMGLYUFAGF-AEKWLRTRSA-N 314.429 3.195 0 40 DGAB Cc1nnsc1C(=O)NCc1ccc(-c2cccs2)o1 575609315 SNOXWUSLWFUQJT-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB Cc1ccc(N[C@H]2CCNC(=O)CC2)c(OCC(F)(F)F)c1 585141646 YOXSQXDSQPDXEX-LLVKDONJSA-N 316.323 3.017 0 40 DGAB CC(C)C[C@H]1COCCN1C(=O)NCC[C@@]1(C)C[C@@]1(F)Cl 685938998 WOFNMSURSFZCLT-QEJZJMRPSA-N 320.836 3.148 0 40 DGAB CC1=NN(C(=O)c2ccccc2)[C@](O)(c2ccc(Cl)cc2)C1 77972 YRAPAUPASMWWDU-QGZVFWFLSA-N 314.772 3.407 0 40 DGAB Brc1ccc(OCc2nnc3n2CCCCC3)cc1 93109 XMIXCUZQEXANIC-UHFFFAOYSA-N 322.206 3.346 0 40 DGAB Cn1c(SCc2ccoc2C(=O)O)nnc1-c1ccccc1 133775 ALDIJTXOBSZCOS-UHFFFAOYSA-N 315.354 3.066 0 40 DGAB CCn1c(O)c(C(=O)Nc2cccc(C)c2)c(=O)c2ccccc21 1305038 QYFZKBOKFQJLMQ-UHFFFAOYSA-N 322.364 3.288 0 40 DGAB O[C@H](CNCc1ccccc1)COCc1ccc(Cl)cc1 3241688 HUJBPYXFFMWRCZ-QGZVFWFLSA-N 305.805 3.007 0 40 DGAB CC(C)C(=O)Nc1nc2c(s1)CN(Cc1ccccc1)CC2 3272041 AUUKDTHOIHMLGR-UHFFFAOYSA-N 315.442 3.296 0 40 DGAB O=C(CSc1ccc(Cl)cc1)NC(=O)c1ccccc1 3447382 QHXBGWQWJNIIOW-UHFFFAOYSA-N 305.786 3.389 0 40 DGAB CN(C)CCCNC(=O)C[C@H](c1ccc(F)cc1)c1ccco1 4296028 HNGJMMBFDRTFFP-MRXNPFEDSA-N 318.392 3.009 0 40 DGAB CC(C)COC(=O)[C@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)OCC(C)C 4803895 BISLPGDYPCUSGZ-GEEKYZPCSA-N 308.418 3.213 0 40 DGAB CN(C)S(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2 5317817 KMMXCCWCGOUAGH-UHFFFAOYSA-N 306.412 3.145 0 40 DGAB CCC(=O)c1ccc(OCC(=O)N[C@H]2CCCC[C@H]2C)cc1 5512115 PCOLBCMHAOKZBO-CJNGLKHVSA-N 303.402 3.353 0 40 DGAB Cc1ccc2nc(CN3c4ccccc4CC[C@H]3C)cc(=O)n2c1 7494509 KWEHKTKNEWCRAU-OAHLLOKOSA-N 319.408 3.344 0 40 DGAB CCOC(=O)Nc1nc(SCc2ccc(Cl)cc2)n[nH]1 8716943 NVXZHZCQZITVCZ-UHFFFAOYSA-N 312.782 3.319 0 40 DGAB CCCc1nnc(SCCCOc2ccc(C=O)cc2)n1C 8731693 XJNGMCBGXPDFHA-UHFFFAOYSA-N 319.430 3.141 0 40 DGAB Cc1ccc2cc(CN(C)C(=O)C3CCCCC3)c(=O)[nH]c2c1 8964424 NLVVRFWGKVVIDZ-UHFFFAOYSA-N 312.413 3.375 0 40 DGAB COc1ccc(/C=C/c2nnc(NC(=O)C(C)C)s2)cc1 9286799 XQOVWFZQZQFWKN-RMKNXTFCSA-N 303.387 3.312 0 40 DGAB NC(=O)c1cccc(NC(=O)c2ccccc2C(F)(F)F)c1 9314906 VZCANXRCRYNZBG-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB O=C(NC1CC1)c1cccc(NC(=O)c2cc(F)ccc2F)c1 9606343 MOBOZDMOHZNNRW-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc(F)cc2)cc1 11339933 MOKYFLCRKIPGJH-OLZOCXBDSA-N 317.360 3.479 0 40 DGAB Cc1cccc(CSc2nnc(-c3ccccc3)c(=O)[nH]2)c1 11990971 NRGSJWDZBQXHHV-UHFFFAOYSA-N 309.394 3.433 0 40 DGAB O=C(Cn1cccc2cc(-c3ccc(F)cc3)nc1-2)N1CCCC1 12669711 LTDXPOYEOWJJIY-UHFFFAOYSA-N 323.371 3.416 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccc(Cn2cccn2)cc1 12823295 PSFMGTMIAWFWHH-VAWYXSNFSA-N 317.392 3.261 0 40 DGAB C[C@@H]1CCc2ccccc2N1S(=O)(=O)c1ccc(F)cc1 12902861 VDGDNVFDBXYTJP-GFCCVEGCSA-N 305.374 3.356 0 40 DGAB O=C1CCc2cc(C(=O)Nc3cccc4cccnc34)ccc2N1 13016815 IAQHMTRNKAKJCS-UHFFFAOYSA-N 317.348 3.372 0 40 DGAB c1ccc(-c2nn3c(-c4ccc5c(c4)OCO5)nnc3s2)cc1 13655540 JRFXNPIZTUWLPQ-UHFFFAOYSA-N 322.349 3.249 0 40 DGAB O=C(NC1CCN(CC2(c3ccccc3)CC2)CC1)c1ccco1 19369722 KEGVPHFFDZESJN-UHFFFAOYSA-N 324.424 3.206 0 40 DGAB CCN1CCC[C@H]1CN(Cc1cccs1)C[C@@H]1CCOC1 19527202 UKUKYVWIMRXJCB-HOTGVXAUSA-N 308.491 3.071 0 40 DGAB O=C1/C(=C/c2ccccc2)N=C2SCN(C3CCCC3)CN12 20714120 NFDNNSNDHTVAEF-GDNBJRDFSA-N 313.426 3.132 0 40 DGAB COc1ccc2c(ccn2CC(=O)N2CCc3ccccc3C2)c1 20760895 PZOYABWSAJDLRA-UHFFFAOYSA-N 320.392 3.235 0 40 DGAB biogenic Nc1nccnc1C(=O)OCc1ccccc1Oc1ccccc1 22241312 QHGRGHWBAAWSBE-UHFFFAOYSA-N 321.336 3.208 0 40 DGAB CC[C@H](Oc1cccc(C)c1C)C(=O)NCCCOC(C)C 22532666 CGHSLLVEDUSFMS-INIZCTEOSA-N 307.434 3.392 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccccc2Cl)on1 22910808 DXQJWCOMIFXADT-LLVKDONJSA-N 307.781 3.095 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@H](C)c2ccccc2C)cc1 22976821 YEYPFLRVDXGLSL-CQSZACIVSA-N 310.397 3.373 0 40 DGAB CCn1c(C)c(C)c2cc(C(=O)NCCCn3ccnc3)ccc21 27981609 FGTUOCOHKQXWCK-UHFFFAOYSA-N 324.428 3.295 0 40 DGAB O=C(Nc1ccc(NC(=O)[C@H]2CCCO2)cc1)C1CCCCC1 30175858 NOYGUPZBBYDRCV-MRXNPFEDSA-N 316.401 3.323 0 40 DGAB CCOCc1ccccc1CNC(=O)c1ccc(F)cc1F 30179465 CULDZTNGAGXGTK-UHFFFAOYSA-N 305.324 3.431 0 40 DGAB Cc1nc(NCc2ccc(Cl)cc2)c2c(n1)c(C)nn2C 32650649 RBFCIOJEDNILGH-UHFFFAOYSA-N 301.781 3.246 0 40 DGAB Cc1occc1C(=O)NCCNc1nc2ccccc2s1 32828050 KJWMPJKFTYAFGR-UHFFFAOYSA-N 301.371 3.040 0 40 DGAB CCOc1cc2c(cc1/C=C/C(=O)Nc1ccccn1)O[C@@H](C)C2 32903852 WDXDKAPQWIWDDA-GWJCSSMESA-N 324.380 3.456 0 40 DGAB O=C(c1ccc(Cn2cccn2)o1)N(Cc1ccccc1)C1CC1 32913138 DHSALUZDKHCYQA-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB COC(=O)CCc1cc(C(=O)c2ccccc2Cl)c(N)s1 34120999 LZTUUSFBUKOHGQ-UHFFFAOYSA-N 323.801 3.320 0 40 DGAB in-vitro O=C(Nc1ccccc1N1CCN(c2ccccc2)CC1)C1CC1 35314928 MMXVILBJUIKRDG-UHFFFAOYSA-N 321.424 3.362 0 40 DGAB Nc1ccc(NC(=O)c2cccc(F)c2)c(Br)c1 36738567 JHCLUYWESSAOKQ-UHFFFAOYSA-N 309.138 3.423 0 40 DGAB Cc1cc([C@H](C)NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)O)c(C)s1 37500800 DHXUZJNJRIACGI-UHTWSYAYSA-N 307.415 3.209 0 40 DGAB CCN(C(=O)Cn1c([C@@H](C)O)nc2ccccc21)c1ccccc1 40225079 MTFPRKHXBBOINO-CQSZACIVSA-N 323.396 3.143 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)NCc1ccccc1 40759409 CCFFEJCMKRLTDM-UHFFFAOYSA-N 313.788 3.396 0 40 DGAB Cc1cc(F)ccc1NC(=O)C(=O)NCCC1=CCCCC1 42646047 MHMWHKCLKNJFJE-UHFFFAOYSA-N 304.365 3.079 0 40 DGAB CC(C)N1C[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)CC1=O 46114938 SDXFCRYNEHDNQE-CYBMUJFWSA-N 302.418 3.180 0 40 DGAB CN(C(=O)[C@H]1CCCN1C(=O)c1cccs1)c1ccccc1 46469497 AVZQYNOFZGXCIZ-CQSZACIVSA-N 314.410 3.016 0 40 DGAB CCOC(=O)c1c(Br)cccc1Br 47202754 AEBVQYCWIHYSEA-UHFFFAOYSA-N 307.969 3.388 0 40 DGAB Cc1nc(Cn2cc(C(F)(F)F)cc(Cl)c2=O)oc1C 48289488 WIWVYFFAHQOYOZ-UHFFFAOYSA-N 306.671 3.174 0 40 DGAB CSc1ccc(C)c(C(=O)NCCN2CCC(C)CC2)c1 48363376 XQGBYJUYUVWDHE-UHFFFAOYSA-N 306.475 3.179 0 40 DGAB Cc1cccc(CNC(=O)COC(=O)c2ccc(Cl)cc2)c1 51356278 ZXPIHQZABJSQSS-UHFFFAOYSA-N 317.772 3.122 0 40 DGAB CN(CC1CCCC1)C(=O)C[C@@H]1Sc2ccccc2NC1=O 58085510 ZNYQVAFRQRZGHM-HNNXBMFYSA-N 318.442 3.138 0 40 DGAB O=C(Nc1cccc(N2CCOC2=O)c1)N1CCCCCCC1 58106089 UPZYSPPFMNHQGG-UHFFFAOYSA-N 317.389 3.441 0 40 DGAB CCSCCC(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 58290177 YXPPNFPDVXWIHJ-SNVBAGLBSA-N 323.393 3.196 0 40 DGAB O=C(N[C@@H](c1ccccc1)c1ccccn1)c1ccnc(F)c1 65489422 DGLRHIDBIHDMSA-KRWDZBQOSA-N 307.328 3.135 0 40 DGAB O=C(OCCc1cccs1)[C@H]1CC(c2cccc(F)c2)=NO1 65664546 STYUNQZLYSANKZ-OAHLLOKOSA-N 319.357 3.166 0 40 DGAB O=C(NC1CCCC1)N1CCCC[C@@H]1c1nc(C2CC2)no1 67350594 LOQDBSODBVEEFL-CYBMUJFWSA-N 304.394 3.126 0 40 DGAB CCc1c(C(=O)N2CCC[C@H]2Cn2cccn2)[nH]c2ccccc12 67655047 MFJZLVSTOPHPKE-AWEZNQCLSA-N 322.412 3.232 0 40 DGAB CCc1cccc(NC(=O)N[C@@H](C)c2c(C)nn(C)c2C)c1 67662364 JRRFLWBVKULPPD-NSHDSACASA-N 300.406 3.482 0 40 DGAB COCCN(C(=O)[C@@H]1C[C@@H]1c1ccccc1OC)C1CCCC1 69530690 QBSRUBVCMVJBKC-IAGOWNOFSA-N 317.429 3.216 0 40 DGAB Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1cccc(F)c1 69972259 TXHALRCJMPTBON-UHFFFAOYSA-N 311.382 3.021 0 40 DGAB CCO[C@H]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 71825584 RPEVOUQNLZYPHT-HNNXBMFYSA-N 316.376 3.323 0 40 DGAB CN(C)C1CCN(C(=O)c2cc3c(F)cccc3s2)CC1 71846619 LLOPUHCEZNGQEH-UHFFFAOYSA-N 306.406 3.207 0 40 DGAB Cc1cnn(C[C@@H](C)NCc2coc(-c3cccs3)n2)c1 71872161 PLQHFPRKJUJMNV-GFCCVEGCSA-N 302.403 3.086 0 40 DGAB CS[C@H](C)C(=O)N(C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 71915332 QZBUGIORULXYAW-INMHGKMJSA-N 320.502 3.249 0 40 DGAB CC(C)c1csc([C@H]2CCCN(C(=O)c3ncccn3)C2)n1 72300324 HAHNSPKAPPGUJH-LBPRGKRZSA-N 316.430 3.076 0 40 DGAB CCOc1cc(CNC(=O)c2ccccc2F)ccc1OC 72331771 JYEJODHSGLLFJV-UHFFFAOYSA-N 303.333 3.163 0 40 DGAB Cn1ccnc1SCC(=O)NC1(c2ccccc2)CCCC1 72866323 USQKMTXVCRJEKL-UHFFFAOYSA-N 315.442 3.098 0 40 DGAB CN(C)CCCC(=O)Nc1nnc(-c2cccc(Cl)c2)s1 73327194 JIZYFERHQGKYEW-UHFFFAOYSA-N 324.837 3.139 0 40 DGAB CCc1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1OC 74935033 GYHYMYOWFPTYSA-UHFFFAOYSA-N 321.398 3.067 0 40 DGAB CCCCO[C@H]1C[C@@H](N(C)C(=O)Cc2cccnc2)C1(C)C 75091903 CXQSYKGYZMHRKI-CVEARBPZSA-N 304.434 3.066 0 40 DGAB CN(Cc1cscn1)C(=O)c1ncoc1-c1cccs1 78658634 KIXPZUDRIOTXER-UHFFFAOYSA-N 305.384 3.132 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccccc1Cl 78898175 JIYOVAYKOHNFAO-MLGOLLRUSA-N 306.837 3.077 0 40 DGAB CCOC[C@H]1CCCN(C(=O)Nc2ccccc2N(C)CC)C1 79306221 ALCFVPJWQNKTOU-HNNXBMFYSA-N 319.449 3.423 0 40 DGAB Cn1cc(NC(=O)CCn2ccc3ccc(Cl)cc32)cn1 79474869 ZVELHGHJQXLXHD-UHFFFAOYSA-N 302.765 3.057 0 40 DGAB O=C(CCc1ccccn1)N1CCSC2(CCCCC2)C1 79634506 BZEWIMXZASOCAI-UHFFFAOYSA-N 304.459 3.293 0 40 DGAB COc1ccccc1CC1CCN(CC[C@@H]2CCCN2C)CC1 83877901 KMIZQHYHYLHHCR-IBGZPJMESA-N 316.489 3.434 0 40 DGAB O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC2)c1)C1CCC1 84374381 PCDZSCUZKDJIKP-DLBZAZTESA-N 312.413 3.088 0 40 DGAB CC(C)NC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 84620602 IBAZXRMQEGJVQM-UHFFFAOYSA-N 312.295 3.421 0 40 DGAB CSCCCNC(=O)N1CCC(N(C)c2ccccc2)CC1 89365454 UGVJWONMEUBWCJ-UHFFFAOYSA-N 321.490 3.050 0 40 DGAB Cc1noc(C)c1[C@@H](C)NS(=O)(=O)C[C@@H](C)c1ccccc1 89526370 FGUNZDJOTKICHF-DGCLKSJQSA-N 322.430 3.076 0 40 DGAB O=S1(=O)CCCN1c1cc(NC[C@H]2CC=CCC2)ccc1F 89792981 VIZOPCJOOXTPIF-ZDUSSCGKSA-N 324.421 3.134 0 40 DGAB C[C@H](N[C@@H]1CCN(c2ccc(F)cc2F)C1)c1cncc(F)c1 95422120 HAOVAOKSOIUZBQ-XHDPSFHLSA-N 321.346 3.428 0 40 DGAB COc1ccc2cccc(CC(=O)NCc3c(C)n[nH]c3C)c2c1 95435920 BEUZKPBCADBIHH-UHFFFAOYSA-N 323.396 3.047 0 40 DGAB C[C@H](NC(=O)Nc1cnc(C2CC2)nc1)[C@@H]1COc2ccccc21 95437903 UGEBUXPIJZDQSO-NHYWBVRUSA-N 324.384 3.040 0 40 DGAB O=C(CCn1cnnc1)Nc1ccc(Oc2ccccc2)cc1 95438540 JVYCAZBWFOXJSQ-UHFFFAOYSA-N 308.341 3.099 0 40 DGAB CCNCc1ccccc1NC(=O)C[C@@H]1OCCc2ccccc21 95971532 LBERZQRMYIPLKP-IBGZPJMESA-N 324.424 3.439 0 40 DGAB Fc1ccc(CN2CCOC[C@H](Oc3ccccc3)C2)cc1 96113201 GQGDJIDRLAUURC-GOSISDBHSA-N 301.361 3.106 0 40 DGAB biogenic,in-vitro CC(C)(CNC(=O)[C@H]1C[C@@H]1c1cccnc1)c1cccc(F)c1 96411082 DJEIYPRIOJGROG-SJORKVTESA-N 312.388 3.418 0 40 DGAB COC(=O)CCCCCNC(=O)Nc1cc(F)ccc1Cl 96415916 BSGFAFNQCYDNBI-UHFFFAOYSA-N 316.760 3.334 0 40 DGAB COC(=O)c1ccoc1CNC1(c2nc(C)cs2)CCCC1 96444988 HGFOGHMGWXBJMU-UHFFFAOYSA-N 320.414 3.390 0 40 DGAB Cc1nc(C2CCCC2)sc1C(=O)N1CCC[C@@H](C(=O)O)C1 96479493 CRBGGEFONGVWSX-GFCCVEGCSA-N 322.430 3.046 0 40 DGAB C[C@H](C(=O)N(C)Cc1ccc(C(=O)O)cc1)c1ccccc1F 97018517 NRDLZKDGFTUPGM-LBPRGKRZSA-N 315.344 3.286 0 40 DGAB Cc1cccc(NC[C@H]2CCN(Cc3nc4ccccc4o3)C2)n1 97200860 ZDNMQMXEOXFFHU-OAHLLOKOSA-N 322.412 3.465 0 40 DGAB Cc1nc(C)c(CNc2ccc(C)c(S(C)(=O)=O)c2)s1 97235479 IJEQSCFVLADIEY-UHFFFAOYSA-N 310.444 3.084 0 40 DGAB O=C(NCc1nnc(-c2ccccc2)s1)[C@H]1C[C@H]2C=C[C@H]1C2 101643078 QPCPWXWEWQPNQD-UBHSHLNASA-N 311.410 3.034 0 40 DGAB Cc1ccc(NCN2C(=O)[C@H]3[C@H]4CC[C@@H](C4)[C@@H]3C2=O)cc1Cl 101728818 RMSHFGVVXREOHT-GVARAGBVSA-N 318.804 3.049 0 40 DGAB Cc1nn(C2CCCCC2)c(C)c1C(=O)C1C(=O)CCCC1=O 103619367 CSZQEWBZSMYLDL-UHFFFAOYSA-N 316.401 3.126 0 40 DGAB CNCC(=O)Nc1ccc(Oc2ccc(C)cc2OC)c(F)c1 195543340 AQOMNYTXTOLFQR-UHFFFAOYSA-N 318.348 3.093 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1ccccc1C)C(=O)CCC 224703021 BIEGCRLMEKTNHJ-HNNXBMFYSA-N 304.434 3.038 0 40 DGAB CCC(=O)N(Cc1ccc(Cl)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225206779 GCFCONRTNCLKKE-STQMWFEESA-N 324.852 3.382 0 40 DGAB O=C(NCC1(c2cccs2)CCCC1)NC1CCOCC1 225551541 ALDFMXHWFCKKFL-UHFFFAOYSA-N 308.447 3.038 0 40 DGAB CCC(C)(C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225645043 QWOYGPGRUOCBAO-UHFFFAOYSA-N 305.447 3.288 0 40 DGAB CCc1ccc(CCC(=O)Nc2nnc(SC)s2)cc1 225853571 PKJGRFCRQVNDDN-UHFFFAOYSA-N 307.444 3.394 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](OCC[C@@H](O)CN1CCCCC1)C2 230111367 QHYMIDXILVIDSE-FAJBIJEISA-N 309.494 3.455 0 40 DGAB CC[C@@H](C)NC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl 242697929 CYGMEZHENUBHHB-SSDOTTSWSA-N 322.714 3.212 0 40 DGAB CNc1cccc(CC[C@H]2CCCCN2c2cc(C)ncn2)n1 257297646 RIGMPZVHFQSEDT-MRXNPFEDSA-N 311.433 3.213 0 40 DGAB CCSc1ccccc1C(=O)N1CC(OCC(F)(F)F)C1 390828605 BLHPQNREHRVSCW-UHFFFAOYSA-N 319.348 3.202 0 40 DGAB CCN1C(=O)/C(=C\c2ccc(OCC(=O)O)cc2)c2ccccc21 409115920 JSPLVZIXPALSAS-WJDWOHSUSA-N 323.348 3.057 0 40 DGAB CCOc1ccccc1/C=C1/SC(=O)N(CCCOC)C1=O 409225774 KZAGEUMNIUJIGH-SDNWHVSQSA-N 321.398 3.158 0 40 DGAB Cc1ncc(CNC(C)(C)c2nc3ccccc3s2)n1C 527744652 MOQWDCASFAXGKL-UHFFFAOYSA-N 300.431 3.363 0 40 DGAB CCn1cnnc1[C@H]1CCCN(c2nccc3ccccc23)C1 527952354 UILNNUAIYJOZKA-HNNXBMFYSA-N 307.401 3.230 0 40 DGAB COc1cc(CNC(=O)[C@@H]2CC23CCCC3)c2ccccc2n1 530615875 ZVRMCHGTWWFOBA-HNNXBMFYSA-N 310.397 3.440 0 40 DGAB O=C(NCc1ccc2ccccc2n1)[C@H]1CCc2cccc(O)c21 568583867 FLINNZUACGMTGW-INIZCTEOSA-N 318.376 3.287 0 40 DGAB Cc1[nH]c2ccccc2c1NS(=O)(=O)CCC1CCOCC1 585114902 DWUVCDAOBPMRDP-UHFFFAOYSA-N 322.430 3.035 0 40 DGAB O[C@H]1CCCN(Cc2cscn2)[C@H]1Cc1ccc(Cl)cc1 643914913 ZCSKKLCJZHGSBE-HOTGVXAUSA-N 322.861 3.365 0 40 DGAB O=C1N[C@@H](c2ccccc2)C12CCN(CCc1ccccc1)CC2 1201605094 WVCHMQHSTXNIMA-IBGZPJMESA-N 320.436 3.182 0 40 DGAB Cc1nc(C(=O)N[C@@H](C)c2ccccc2)cc(C(F)(F)F)n1 1888860509 PXYSZTMLDODPGQ-VIFPVBQESA-N 309.291 3.295 0 40 DGAB Fc1ccc(CN2CCC(Oc3nccs3)CC2)c(F)c1 2086988568 APYKSJJIFMUEBY-UHFFFAOYSA-N 310.369 3.465 0 40 DGAB O=C(NC1CCN(c2nccc3ccccc23)CC1)C1CCC1 2298188667 BXEHXLKYUBYNPS-UHFFFAOYSA-N 309.413 3.120 0 40 DGAB C1=NC2=NC3=C(CCc4ccccc43)[C@H](c3cccs3)N2N1 38306 JOYADHHGLLIJAF-MRXNPFEDSA-N 306.394 3.365 0 40 DGAB COc1ccc(CCNC(=O)/C=C/c2ccccc2OC)cc1 247812 UTPHHMCNMLUQCD-FMIVXFBMSA-N 311.381 3.076 0 40 DGAB CCC(=O)Nc1ccc(I)cc1CC 342350 SYTYPCARTYBHSJ-UHFFFAOYSA-N 303.143 3.202 0 40 DGAB CCOC(=O)c1sc(=S)n(-c2cc(F)ccc2F)c1N 425168 PMEQQCSJPKYACY-UHFFFAOYSA-N 316.354 3.305 0 40 DGAB NC(=O)c1ccc(NC(=O)/C=C/c2ccccc2Cl)cc1 579430 XGYBEBGJZMMRGZ-JXMROGBWSA-N 300.745 3.091 0 40 DGAB CN(C)C(=O)CSc1nc(C(C)(C)C)nc2ccccc12 1342569 DSGAWBPGMVQGGV-UHFFFAOYSA-N 303.431 3.108 0 40 DGAB Cc1ccc2c(c1)C(=O)[C@H](NC(=O)c1ccc(F)cc1)CS2 1404138 MSCGYDHICVRUAK-CQSZACIVSA-N 315.369 3.221 0 40 DGAB c1ccc(N2CCN(CCCc3c[nH]c4ccccc34)CC2)nc1 1506633 DMIUJDCKIMDFIL-UHFFFAOYSA-N 320.440 3.318 0 40 DGAB Cc1ccc(CC(=O)Nc2ccccc2N2CCOCC2)cc1C 3560361 MRNLTVHCPLSHTM-UHFFFAOYSA-N 324.424 3.321 0 40 DGAB CCSc1nnc(NC(=O)Cc2ccc(C)c(C)c2)s1 3592254 QPYQCJUGSVZZQT-UHFFFAOYSA-N 307.444 3.448 0 40 DGAB O=C1c2ccccc2CC[C@H]1Sc1nnc(-c2ccncc2)o1 4279705 HACUHSCSLFEULP-CQSZACIVSA-N 323.377 3.421 0 40 DGAB CC(C)S(=O)(=O)c1nc2ccccc2n1Cc1ccccc1 4304873 LSRZPKDBDCLJEU-UHFFFAOYSA-N 314.410 3.267 0 40 DGAB COc1ccc2c(c1)CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1C[C@@](C)(O)[C@@H]2O 4429077 OOVXZFCPCSVSEM-UEDNIHKISA-N 316.441 3.273 0 40 DGAB CCn1c(SCC(=O)c2ccc[nH]2)nnc1-c1cccs1 4516467 VSVUDNRHSSLQML-UHFFFAOYSA-N 318.427 3.330 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2cccc3cccnc23)cc1 5002446 WQIVVUSDITZJQS-UHFFFAOYSA-N 306.321 3.274 0 40 DGAB CCCCC(=O)N1CCN(c2nc3ccc(F)cc3s2)CC1 5181315 YNCJLANAWAJXKT-UHFFFAOYSA-N 321.421 3.274 0 40 DGAB C[C@@H](OC(=O)c1cc2ccccc2[nH]1)C(=O)N(C)c1ccccc1 5531096 VJTMPRRXEKKUOS-CYBMUJFWSA-N 322.364 3.376 0 40 DGAB CCCN1C(=O)c2[nH]nc(-c3ccccc3)c2[C@@H]1c1cccnc1 6747845 PFBBHRRYNFZGKK-SFHVURJKSA-N 318.380 3.427 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)c1ccco1 6879203 UWVGIEZBVYUYFS-UHFFFAOYSA-N 306.749 3.000 0 40 DGAB O=C(CCc1nc(-c2cccs2)no1)NCc1ccccc1 7070862 BNYLJFUOUCTELB-UHFFFAOYSA-N 313.382 3.047 0 40 DGAB Cc1ccccc1CNC(=O)c1cccc(N2CCCC2=O)c1 8053209 WMNPXTJXFBCICD-UHFFFAOYSA-N 308.381 3.052 0 40 DGAB CC(=O)c1cc(F)ccc1OCC(=O)Nc1ccc(F)cc1F 9691021 LNEQLMXXNWHNHK-UHFFFAOYSA-N 323.270 3.324 0 40 DGAB O=C(COc1ccccc1)Nc1nnc(C2CCCCC2)o1 10881610 SNNAZAQNQSLDFR-UHFFFAOYSA-N 301.346 3.135 0 40 DGAB COc1cc(C(=O)N[C@H](C)c2c(C)n[nH]c2C)c2ccccc2n1 12198242 HLDYNOJNHRHAIC-SNVBAGLBSA-N 324.384 3.074 0 40 DGAB Cc1ccc(C(=O)Nc2ccccc2N2CCOCC2)cc1F 12543406 YCRFXBRSOGMUFO-UHFFFAOYSA-N 314.360 3.223 0 40 DGAB O=C1C[C@@H](Nc2ccc(Oc3ccccc3)cc2)C(=O)N1C1CC1 12545959 JNUVXZQEEOCDIT-QGZVFWFLSA-N 322.364 3.181 0 40 DGAB CSc1cccc(NC(=O)CCCNC(=O)c2ccco2)c1 12886222 PCAPYQSLXQGNBZ-UHFFFAOYSA-N 318.398 3.150 0 40 DGAB COc1ccc(Cn2cnc3sc4c(c3c2=O)CCC4)cc1 12901289 COWFISULRYXECO-UHFFFAOYSA-N 312.394 3.004 0 40 DGAB COc1ccc(C(=O)N[C@@H](C)c2ccc(F)cc2F)c(O)c1 18014571 CKNZXFTYQUFNJA-VIFPVBQESA-N 307.296 3.170 0 40 DGAB Oc1c2c(nc3nncn13)-c1ccccc1CC21CCCCC1 18324257 DCJNDBCNLNUVIK-UHFFFAOYSA-N 306.369 3.255 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@@H]1COc2ccccc2C1=O 19083212 KWWGDGDZXZJWBV-UONOGXRCSA-N 317.385 3.277 0 40 DGAB COc1ccc(CN2CCC(c3cc(O)cc(C)n3)CC2)cc1 19570418 IGVWUONQQMTOOX-UHFFFAOYSA-N 312.413 3.484 0 40 DGAB CC(=O)N1CC[C@H]2[C@H]1CCCCCN2CCc1ccccc1 19712369 XBLLTWBUQINWBT-RBUKOAKNSA-N 300.446 3.095 0 40 DGAB COc1ccc(CN2CCN(C3CCC(C)CC3)CC2)cc1 19842132 WDNUMOJIWYDWKU-UHFFFAOYSA-N 302.462 3.392 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccs2)N1 20411112 KYUMJWNDZQTKTB-XJKSGUPXSA-N 312.394 3.006 0 40 DGAB biogenic CN(Cc1ccco1)C(=O)c1cc(Br)ccc1O 24014290 PQDPAADVGABCID-UHFFFAOYSA-N 310.147 3.020 0 40 DGAB CCOC(=O)c1ccc(Oc2ccc(-c3nnco3)cc2)nc1 24053227 ALZPFMZKNRMQDS-UHFFFAOYSA-N 311.297 3.101 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)Nc2nc(C3CC3)cs2)cc1 26052079 SHWMEJRLGHSOGX-JTQLQIEISA-N 318.398 3.435 0 40 DGAB COc1ccc(NC(=O)c2csc(-c3cccnc3)n2)cc1 29047579 KAWJXWGFLCUWNU-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB CCNC(=O)COc1ccc(NC(=O)CCC2CCCC2)cc1 29225792 AIQFFBXDGFNTCG-UHFFFAOYSA-N 318.417 3.110 0 40 DGAB Cc1cc(C)c(OCC(=O)NCc2nc(C)cs2)c(C)c1 29887467 FAWHCLLPHLDDHW-UHFFFAOYSA-N 304.415 3.072 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc(-c2cc[nH]n2)cc1 31562119 ZSYHMCSVKWBANY-UHFFFAOYSA-N 310.357 3.253 0 40 DGAB COC[C@@H](C)NC(=O)c1cn(Cc2ccccc2)c2ccccc12 32901783 DAZLPVWJWKPTNQ-OAHLLOKOSA-N 322.408 3.454 0 40 DGAB Cc1cccc(OCC(=O)Nc2cccc(-c3nc(C)no3)c2)c1 33012782 GUCPRSKKONIKFO-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB C[C@H](CNC(=O)c1cc(F)cc(F)c1)N1CCc2ccccc21 33055806 FLMIXLZJBATTIP-GFCCVEGCSA-N 316.351 3.146 0 40 DGAB COc1ccc([C@@H]2CCCN2Cc2cc(C)on2)cc1OC 36393917 UDFFNLHDEYPLGW-HNNXBMFYSA-N 302.374 3.337 0 40 DGAB Cc1ccnc(NC(=O)c2ccccc2OC[C@@H]2CCCO2)c1 36700656 UIDFILVWPMATNU-AWEZNQCLSA-N 312.369 3.200 0 40 DGAB Cc1ccc(C(=O)N2CCC[C@@H](c3nnc(C)s3)C2)cc1 38666519 DNWVDIYHPJWJDE-CQSZACIVSA-N 301.415 3.175 0 40 DGAB Cc1cc(C)c2cc(C(=O)O[C@H](C(N)=O)c3ccccc3)[nH]c2c1 39539353 BFSGHDWGYBZTNP-KRWDZBQOSA-N 322.364 3.168 0 40 DGAB COc1ccc(C(C)=O)cc1CS(=O)(=O)Cc1ccccc1 40498728 AHCSDNOECBDZEO-UHFFFAOYSA-N 318.394 3.013 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1ccccc1N1CCCC1=O 40526819 ZTPRVWMDWGRPQM-UHFFFAOYSA-N 323.396 3.477 0 40 DGAB CC(C)c1ccc(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C)cc1 42646697 QVXUSQFRHFBGDE-BBRMVZONSA-N 302.418 3.443 0 40 DGAB CN(C1CCCCC1)S(=O)(=O)Cc1cccc(Cl)c1 44903735 NQZITFAJINWHDD-UHFFFAOYSA-N 301.839 3.434 0 40 DGAB C[C@@H](Sc1nccn1C1CC1)c1nnnn1-c1ccccc1 44966000 ZLZOJCPGUUTKRH-LLVKDONJSA-N 312.402 3.047 0 40 DGAB CC(C)(C)OC(=O)N1CCN(c2nc3ccccc3s2)CC1 45683278 KVDXCOOWUVQJDE-UHFFFAOYSA-N 319.430 3.353 0 40 DGAB O=C(C[C@@H]1CCCO1)N1CCC[C@@H](c2nc3ccccc3o2)C1 47090578 AONIJDPTVIKJKY-KGLIPLIRSA-N 314.385 3.103 0 40 DGAB C[C@H](Nc1ncnc2c1oc1ccccc12)C(=O)NC1CCCC1 48310998 UMUCSJVNEZNDDP-NSHDSACASA-N 324.384 3.235 0 40 DGAB CCc1noc(CNc2cc3c(cc2Cl)OCCCO3)n1 59799709 ACCZUGVMVARRBX-UHFFFAOYSA-N 309.753 3.059 0 40 DGAB Cc1onc(-c2ccccn2)c1C(=O)NCCc1ccccc1 64472177 VYYRNJIBYFWWRG-UHFFFAOYSA-N 307.353 3.018 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)no1 67888473 MABBJRJHBFXIDG-AUECHBEKSA-N 311.385 3.051 0 40 DGAB CN(C(=O)CCc1ccccc1)C1CCN(c2ccccn2)CC1 69375520 IXANXQXGJWGGLQ-UHFFFAOYSA-N 323.440 3.142 0 40 DGAB C[C@@]1(C(=O)NCc2ccc(-n3ccnc3)cc2)CC1(Cl)Cl 69389401 FTVZCTVNXDNBHV-AWEZNQCLSA-N 324.211 3.072 0 40 DGAB O=S1(=O)N=C(CSC2CCCCC2)Nc2ccccc21 69737686 QXROULBTBSLXAH-UHFFFAOYSA-N 310.444 3.265 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cn[nH]c1-c1cccs1 71115978 UABTUELDYFIRSP-UHFFFAOYSA-N 301.346 3.207 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1 72228033 BRYXSVAPUHOEDQ-CVEARBPZSA-N 300.789 3.318 0 40 DGAB Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)c1cc(Cl)cn1C 72234041 ONPOFEHSTBKAKQ-ZDUSSCGKSA-N 320.824 3.006 0 40 DGAB CSCC[C@@H](NCc1ccc(-c2ccccc2)o1)C(=O)O 72238799 XUUWCESBSHNXCW-CQSZACIVSA-N 305.399 3.243 0 40 DGAB O=C(NC[C@H](O)c1cccc(C(F)(F)F)c1)c1ccccc1 72271537 KARVDXAMHARHRM-AWEZNQCLSA-N 309.287 3.169 0 40 DGAB CCc1ccc([C@H](NC(=O)[C@@H]2CCCN2C(C)=O)C(C)(C)C)o1 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CC(C)(C)[C@@H](NC(=O)N1CCCN2CCC[C@@H]2C1)c1ccco1 95400337 AZULOVQUFNNFDQ-ZBFHGGJFSA-N 319.449 3.247 0 40 DGAB CC(C)n1cc(CC(=O)NCc2cccnc2)c2ccccc21 95479844 GPIMLUAPACAINV-UHFFFAOYSA-N 307.397 3.476 0 40 DGAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@@H](C)CC[C@H]1C 95962679 AQVJMPVRACYPMO-UONOGXRCSA-N 323.458 3.129 0 40 DGAB c1ccc(-c2n[nH]cc2CNc2ccc(-n3ccnn3)cc2)cc1 95971937 DIPKJFDLOFQCCL-UHFFFAOYSA-N 316.368 3.270 0 40 DGAB CCN1CC[C@@H](Nc2ccc(NC(=O)C(C)C)cc2)[C@H](C)C1 95990527 ZKOYAUIIAPCGGG-RHSMWYFYSA-N 303.450 3.423 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1C[C@H](C)[C@@H]2CCCC[C@@H]21 96008097 WOSSNUQWYOUKGV-NUTKFTJISA-N 319.449 3.444 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(Cl)nc2)[C@@H](c2ccccc2)CO1 96433388 XANSTMYTUVWILP-SWLSCSKDSA-N 316.788 3.337 0 40 DGAB O=C(NCc1cc(-c2ccccc2)on1)c1ccncc1Cl 96443672 BUXGGJYMFKDPNA-UHFFFAOYSA-N 313.744 3.320 0 40 DGAB Cc1noc(C)c1Cc1nc(-c2ccc(Br)o2)no1 96448215 JSOJAZHOJVCFEM-UHFFFAOYSA-N 324.134 3.288 0 40 DGAB C[C@H](NC(=O)CN(C)[C@@H](C)c1ccccn1)c1cccs1 96485807 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CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(F)cc1 225185182 VRUUSLOTIDYJHN-KRWDZBQOSA-N 306.425 3.139 0 40 DGAB COc1ccc(NC(=O)C2(C)CCCCC2)cc1C(=O)N(C)C 225957567 JUZJVPXUFSMDPZ-UHFFFAOYSA-N 318.417 3.306 0 40 DGAB Cc1ccncc1CO[C@H]1CCOC2(C1)CN(C1CCCC1)C2 247838580 OOEYPNPAYBRWON-SFHVURJKSA-N 316.445 3.083 0 40 DGAB Cc1cccc(CN2C[C@H]3CC[C@H]2[C@@H]3OCCN2CCCC2)c1 247906372 KFPFBTMPCYIIID-HSALFYBXSA-N 314.473 3.070 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1C(C)C 250564245 AGLGFCJUGYYDJM-HEHGZKQESA-N 323.458 3.286 0 40 DGAB c1ccc(CO[C@@H]2CCCC[C@@H]2N2CCN[C@H]3CCC[C@H]32)cc1 252513889 AOIYHYXUOPSXOB-ZGXWSNOMSA-N 314.473 3.341 0 40 DGAB Cc1ccccc1C(=O)NCCn1cc(-c2ccccc2)cn1 253471946 GRZXMHPCMNLRQR-UHFFFAOYSA-N 305.381 3.289 0 40 DGAB CCCN(CCC)c1nn(-c2cc(C)ccc2C)nc1C(=O)O 256048602 UTDOWHQPYYYOQI-UHFFFAOYSA-N 316.405 3.209 0 40 DGAB O=C(NCCc1ccc(-c2ccsc2)s1)c1ccno1 575414003 IDUAIZBPNXKQSL-UHFFFAOYSA-N 304.396 3.437 0 40 DGAB O=C(O)[C@@H]1CCCN1C[C@@H]1C[C@@H]1c1ccc(Br)cc1 575424153 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CCN(CC(=O)Nc1ccccc1C(C)=O)Cc1cccs1 7613860 POZCZIJFCDYYKV-UHFFFAOYSA-N 316.426 3.411 0 40 DGAB COc1cc(C(=O)Nc2ccc(C)c(C)c2)cc2c1OCCO2 7666904 ZLVSGNGLKFBAGT-UHFFFAOYSA-N 313.353 3.336 0 40 DGAB O=C(NCCCn1cnc2ccccc21)c1cc(F)cc(F)c1 8136406 HTLKAQTXTCAREU-UHFFFAOYSA-N 315.323 3.135 0 40 DGAB Cc1cccc(NC(=O)[C@@H]2CC(=O)N(C3CCCCC3)C2)c1C 8816078 HLRZDSLRQGQXAA-OAHLLOKOSA-N 314.429 3.423 0 40 DGAB Cc1ccc(OCC(=O)Nc2cccc(C(=O)O)c2C)c(C)c1 9028957 MENYKNKPAZLRAT-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB CCCN(Cc1cc2cccc(C)c2[nH]c1=O)C(=O)c1ccco1 9308080 KOZSENGMSZXTSB-UHFFFAOYSA-N 324.380 3.482 0 40 DGAB CC[C@@H](OC(=O)c1cc(C)ccc1C)C(=O)Nc1cc(C)on1 9365505 KZFRRNVVWGCYGF-CQSZACIVSA-N 316.357 3.174 0 40 DGAB CC[C@@H](C)NS(=O)(=O)c1cc(C)c(Br)cc1C 11614031 YDDQDHGMDCNSET-SNVBAGLBSA-N 320.252 3.143 0 40 DGAB COc1ccccc1-c1cc(CSc2nc(C)n[nH]2)on1 11710387 SUTZFEHVQOUPOO-UHFFFAOYSA-N 302.359 3.069 0 40 DGAB O=C(Cc1cc(-c2ccccc2)on1)Nc1ccc2c(c1)OCO2 12861994 RBPKHQAPABUFLM-UHFFFAOYSA-N 322.320 3.252 0 40 DGAB COc1ccc([C@H]2CCCN2c2nnnn2-c2ccccc2)cc1 12985144 ONEJOJVRIPKPST-QGZVFWFLSA-N 321.384 3.012 0 40 DGAB Clc1ccc(CN2CCC3(CC2)OCCO3)cc1Cl 14193179 MHLHTEHTCVNEBE-UHFFFAOYSA-N 302.201 3.332 0 40 DGAB Nn1c(SCCCc2ccccc2)nnc1-c1ccccc1 20522071 POVUFRVSACLJIC-UHFFFAOYSA-N 310.426 3.384 0 40 DGAB COc1ccccc1-n1nnnc1SC/C=C/c1ccccc1 21175113 POEJMCQXKJEMPH-JXMROGBWSA-N 324.409 3.476 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc(N(C)C)cc2)cc1F 24078559 LZQJFWNTDZBAHG-LBPRGKRZSA-N 316.376 3.391 0 40 DGAB Cc1ccc(S(=O)(=O)n2c(C)cc3c2C(=O)[C@H](C)[C@@H]3C)cc1 26897360 VLHKJWOJQBGFAX-QWHCGFSZSA-N 317.410 3.278 0 40 DGAB COC(=O)N[C@H](Nc1ccccc1Cl)C(=O)c1ccccc1 26967014 AIXANSLGJSNSMH-HNNXBMFYSA-N 318.760 3.317 0 40 DGAB c1ccc(-c2nc3n(n2)Cc2ccccc2C32CCOCC2)cc1 27986547 OZRGLWHOFABJQN-UHFFFAOYSA-N 317.392 3.403 0 40 DGAB O=C(NCCCN1CCc2ccccc2C1)Nc1ccccc1 31662744 XXBCELNPWLMTIG-UHFFFAOYSA-N 309.413 3.257 0 40 DGAB c1ccc(COc2ccc([C@H]3NCCc4nc[nH]c43)cc2)cc1 32109451 IPORPIQXJQGXGV-GOSISDBHSA-N 305.381 3.224 0 40 DGAB biogenic COCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)s1 32892687 SOVHCSHHMKHJTO-VQHVLOKHSA-N 305.374 3.330 0 40 DGAB COc1ccccc1NC(=O)N[C@H](Cn1ccnc1)C(C)(C)C 32935957 KXTNNROOCCIQJA-OAHLLOKOSA-N 316.405 3.128 0 40 DGAB CCCN1CCc2nc(SCc3ccccc3)nc(O)c2C1 33287214 KHVJOBFMFJQROC-UHFFFAOYSA-N 315.442 3.243 0 40 DGAB CCCc1nc(CNC(=O)c2ccc(Cl)cc2Cl)no1 33624707 AYTPBCTXDFEODZ-UHFFFAOYSA-N 314.172 3.259 0 40 DGAB O=C1c2c(F)c(F)c(F)c(F)c2C(=O)N1Cc1ccccc1 34263434 OEZBYUIKHMXWCA-UHFFFAOYSA-N 309.218 3.039 0 40 DGAB Cc1ccc2nc(C)c(C(=O)Nc3c(C)nn(C)c3C)cc2c1 36398166 ORPNLWCQPMPTRS-UHFFFAOYSA-N 308.385 3.454 0 40 DGAB Cc1ccccc1Cn1nc(C)c2cnn(C(C)(C)C)c2c1=O 36665657 FMGVZVGXTWHSTC-UHFFFAOYSA-N 310.401 3.013 0 40 DGAB O=C(NC[C@@H]1CCOC1)c1csc(-c2cccc(Cl)c2)n1 42726937 KSFZGYLPXCPWDX-JTQLQIEISA-N 322.817 3.230 0 40 DGAB CCc1nnsc1C(=O)N(C)Cc1ccc([C@@H]2C[C@H]2C)o1 44889484 FDUSCMFRKAEFFL-MWLCHTKSSA-N 305.403 3.089 0 40 DGAB Cc1cc(NC(N)=S)cc(C)c1NC(=O)c1ccc(F)cc1 45891084 MSWHQYDDOMYKET-UHFFFAOYSA-N 317.389 3.350 0 40 DGAB Cc1ncsc1C(=O)Nc1nc(-c2cccn2C)cs1 48646022 KMGOUZUBHLYDTP-UHFFFAOYSA-N 304.400 3.166 0 40 DGAB CCN(Cc1cc(=O)n2cc(C)ccc2n1)c1cccc(F)c1 53770223 XMXKCMIHMYUDMC-UHFFFAOYSA-N 311.360 3.169 0 40 DGAB Cc1nc(-c2cc(C(=O)N3CCOC[C@@H]3C)cs2)cs1 55224143 VXMREEWKCCYFNJ-VIFPVBQESA-N 308.428 3.041 0 40 DGAB COc1ccc2c(c1)OCC(/C=C1/SC(=S)N=C1O)=C2 56706707 GKXOMDJOBXEUFT-LFYBBSHMSA-N 305.380 3.343 0 40 DGAB NNc1nc2c([C@@H](O)c3ccccc3)cc(Cl)cc2s1 57327684 CYXQEDRAOUCZNC-ZDUSSCGKSA-N 305.790 3.317 0 40 DGAB O=C(O)[C@@H](Cc1cccc(C(F)(F)F)c1)N1CCCCC1 57629928 JODDRBKPWNNNAD-CYBMUJFWSA-N 301.308 3.187 0 40 DGAB CCn1ncc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c1C 57810975 UTDXRCOBSQWBFH-IBGZPJMESA-N 313.445 3.393 0 40 DGAB CC1CCN([C@H](C)CNC(=O)Cc2ccccc2Cl)CC1 58004616 OZEBRUYZKQGBGT-CQSZACIVSA-N 308.853 3.119 0 40 DGAB Cc1noc2ncc(C(=O)Nc3nc(C4CC4)cs3)cc12 58230368 QQXFMFBWVFDUMM-UHFFFAOYSA-N 300.343 3.117 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)c2ccc(F)c(F)c2)no1 58342438 UYZPXXWXAYHXSZ-UHFFFAOYSA-N 323.343 3.310 0 40 DGAB C/C=C/C=C/C(=O)NC[C@@H]1CCCN(Cc2cccs2)C1 64522085 XYQCFAOVDGNYGH-DTTRKSNRSA-N 304.459 3.209 0 40 DGAB COc1ccc(C(=O)CN2CCN(c3ccc(C)cc3)CC2)cc1 67206485 UZEGWRPLSLREDO-UHFFFAOYSA-N 324.424 3.009 0 40 DGAB Cc1nnc([C@H](C)Sc2nnc(Cc3cccc(F)c3)o2)o1 67753615 RCGZEWLHIJJSBU-QMMMGPOBSA-N 320.349 3.344 0 40 DGAB O=C(/C=C/c1ccsc1)N1CCC(Nc2cccnc2)CC1 68338691 STJSMRPXPKMBQL-ONEGZZNKSA-N 313.426 3.259 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)NC1CC1 69202723 RUFKBZIJBUHISS-LBPRGKRZSA-N 315.417 3.151 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)Cc2ccc3c(c2)CCCC3)cn1 69628227 VDCRCIRCYHEWTB-IBGZPJMESA-N 323.440 3.205 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)c3ccc4cc[nH]c4c3)ccc21 69769064 BHMYOFIQVUSJGC-UHFFFAOYSA-N 319.364 3.329 0 40 DGAB CCCCN(Cc1ccccc1Cl)[C@@H]1CCS(=O)(=O)C1 70980149 CQBPZWMSIRGEGU-CQSZACIVSA-N 315.866 3.129 0 40 DGAB Cc1nnc2n1C[C@@H](CNCc1csc3ccccc13)CC2 71871882 CHMOGWTXFFRKHB-CYBMUJFWSA-N 312.442 3.153 0 40 DGAB CC(=O)N1CCCC[C@H]1c1ccc(N2CCCCC2)nc1C 72219314 DSVNUYAPXWVUSS-KRWDZBQOSA-N 301.434 3.454 0 40 DGAB CCOC(=O)Cc1csc(C2=Cc3ccccc3OC2)n1 72228344 ZFZMUZPAJNEWHU-UHFFFAOYSA-N 301.367 3.182 0 40 DGAB O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC[C@H](CO)C1 75128199 NPXXFUQODMZOFQ-SUMWQHHRSA-N 320.408 3.081 0 40 DGAB CNC(=O)c1ccc(O[C@H](C)c2nc(-c3ccccc3)no2)cc1 75147092 GNTPLSMKSCZCSK-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB Cc1nc2sccn2c1CNCc1ccc(-n2cccn2)cc1 77401396 HKERMQYMBDRRNH-UHFFFAOYSA-N 323.425 3.180 0 40 DGAB C[C@@](CO)(NCc1nnc(-c2cccs2)o1)C1CCCCC1 77656897 GXGPAIWZQWDVJG-INIZCTEOSA-N 321.446 3.219 0 40 DGAB COc1ccc(-c2cc3nccc(-c4ccccn4)n3n2)cc1 79478990 UTWMNNRTIBMSFY-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB CCCN(CC(=O)O)[C@H](C)c1ccccc1Br 83662625 NUIOAQFSEKLIPM-SNVBAGLBSA-N 300.196 3.307 0 40 DGAB Cc1ncc(CNC(=O)N(CCC(F)(F)F)C2CCC2)s1 84636846 SCLCZUJZHASKSJ-UHFFFAOYSA-N 321.368 3.468 0 40 DGAB COC(=O)c1cc(N2CCC[C@@H]2c2cccc(OC)c2)ccn1 89469928 KMEIMNPVHUFMHC-QGZVFWFLSA-N 312.369 3.218 0 40 DGAB Cc1nc(Cl)cc(N[C@H]2CCN(C)[C@@H]2c2ccccc2)n1 89708991 CDCLRFAWJNZEKQ-XJKSGUPXSA-N 302.809 3.296 0 40 DGAB CC(C)(C)n1ncc2c(=O)n(Cc3ccc(Cl)s3)cnc21 89761580 BPMJNRWOQZZDBY-UHFFFAOYSA-N 322.821 3.111 0 40 DGAB O=C(NCc1ccon1)Nc1cc(F)ccc1N1CCCCC1 89769666 BVQNZASFNKITAL-UHFFFAOYSA-N 318.352 3.126 0 40 DGAB O[C@@H](C[C@H]1CCCN1Cc1ccncc1Cl)c1ccco1 89794410 CLXYPTVPUZKBPA-HIFRSBDPSA-N 306.793 3.416 0 40 DGAB CN1CC[C@H](NCc2cccnc2)[C@@H]1c1ccc(Cl)c(F)c1 95437472 LELRQQNRHZALPD-IRXDYDNUSA-N 319.811 3.409 0 40 DGAB CCc1n[nH]c(-c2ccccc2NC(=O)c2ccccc2F)n1 95440638 WBGAJJAEQVJZRW-UHFFFAOYSA-N 310.332 3.426 0 40 DGAB CCc1oc(C(=O)N(Cc2nnc(C)o2)C(C)(C)C)cc1C 95449745 XFKCQLDEEBFUHK-UHFFFAOYSA-N 305.378 3.283 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)c1cc2ccccc2[nH]1 95450869 CXMLTKPEZGCUOZ-UHFFFAOYSA-N 315.373 3.166 0 40 DGAB CCN(C)CCN(CC)c1ccc(Br)c(F)c1 95915924 TWQGQCGGIQKZFC-UHFFFAOYSA-N 303.219 3.366 0 40 DGAB C[C@@H]1COCCN1C(=O)Nc1cccc(C(=O)c2ccccc2)c1 95948546 ATNLHNZRWGTKIP-CQSZACIVSA-N 324.380 3.170 0 40 DGAB O=C(Cc1csc(-c2ccccn2)n1)NCC1CCCCC1 95954916 WDYWYQSOHKCBGE-UHFFFAOYSA-N 315.442 3.444 0 40 DGAB CCN(Cc1csc(NC(C)=O)n1)c1ccc(F)c(F)c1 95962688 MFTZVVDVNQSANR-UHFFFAOYSA-N 311.357 3.406 0 40 DGAB Cc1csc([C@H](N[C@@H]2CCN(CC(F)(F)F)C2)C2CC2)n1 95968559 CNBTYXXSNPEGOC-VXGBXAGGSA-N 319.396 3.129 0 40 DGAB O[C@H](Cn1cc(Cl)cn1)c1cccc(Br)c1 95974751 BBYRCAANHGNEEC-LLVKDONJSA-N 301.571 3.033 0 40 DGAB Cc1n[nH]c(C)c1[C@H](C)CC(=O)N(C)[C@H](C)c1ccncc1 95975802 XXYMYWQJKPLDGQ-BXUZGUMPSA-N 300.406 3.135 0 40 DGAB c1coc(CN2CC[C@H]3OCCC[C@]3(COCC3CC3)C2)c1 96039798 AXHWVVFYWPBOKW-QZTJIDSGSA-N 305.418 3.077 0 40 DGAB CSc1nc(C(=O)OCc2scnc2C)c2ccccn12 96441913 FQMZJSLVLXWYCR-UHFFFAOYSA-N 319.411 3.178 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](CCC(=O)O)C2)c(C)n1C(C)C 97045139 RHTKUKYBWFVCIO-OAHLLOKOSA-N 320.433 3.403 0 40 DGAB CC(C)c1nn(C)cc1CNC[C@H](O)c1cccc(Cl)c1 97159579 YVFTURIKJZDYEC-HNNXBMFYSA-N 307.825 3.020 0 40 DGAB Cc1noc(C)c1CN1CC[C@H]2C[C@H](c3nccs3)O[C@@H]2C1 97953894 CGTDIADXQOHQKB-NWANDNLSSA-N 319.430 3.100 0 40 DGAB CCOc1ccc([C@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 101029203 LZCUZWNNFPAJLV-QGZVFWFLSA-N 319.368 3.128 0 40 DGAB CC(=O)C(Sc1nnc(Nc2ccccc2C)s1)C(C)=O 101403425 JMADEQKSWNWKLF-UHFFFAOYSA-N 321.427 3.229 0 40 DGAB C[C@H](NC(=O)c1cncc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102175865 ANBMLQFBBQTKTP-RMIALFOJSA-N 323.234 3.399 0 40 DGAB COC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2C2CCC2)c1 103085716 SQGNQTLVLBQFFM-OAHLLOKOSA-N 302.374 3.270 0 40 DGAB CC1(C)[C@H]2CC[C@@]34C=C[C@](C)(C3)C(=O)C[C@@H]4[C@]2(C)CC(=O)[C@@H]1O 104139406 KVDLINJXYLXARR-GRXCTXEQSA-N 316.441 3.304 0 40 DGAB in-man Cc1ncccc1CN[C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 131454166 ZQOZMAPFUMOBQR-HZPDHXFCSA-N 319.449 3.316 0 40 DGAB CC(=O)c1ccc(Cl)c(Cl)c1OC[C@@H](O)C(F)(F)F 158467517 MMHUDWQWEOYCFT-MRVPVSSYSA-N 317.090 3.498 0 40 DGAB C[C@H](Cc1ccccc1F)N[C@H]1CCO[C@]2(CCSC2)C1 188248473 JPEWHQJNXKKCLF-UKPHBRMFSA-N 309.450 3.401 0 40 DGAB Cc1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)o1 222812943 NOJMVJPXRMYDTB-HUUCEWRRSA-N 301.415 3.364 0 40 DGAB COc1ccc(C[C@@H](Oc2cc(C)cc(C)c2)C(=O)O)cc1 225101969 ZLLARBVOXRAAEY-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1ccc(C[C@H](Sc2ccccc2)C(=O)O)c(OC)c1 225113452 DCXWBTLXQAYCPQ-INIZCTEOSA-N 318.394 3.492 0 40 DGAB O=C(NC[C@H]1CCCO1)NCC1(c2ccsc2)CCCC1 225556555 XGADIKOFMAPVHQ-CQSZACIVSA-N 308.447 3.038 0 40 DGAB CCOCCOc1ccc(NC(=O)[C@@](C)(CC(C)C)OC)cc1 225607775 GAQPUKPQGMRVFM-GOSISDBHSA-N 323.433 3.492 0 40 DGAB CC(C)C(=O)c1ccc([C@H](C)C(=O)N(C)c2nncs2)cc1 225779858 SWLPYSJDOAKNEB-NSHDSACASA-N 317.414 3.143 0 40 DGAB COCc1sc(-c2cccc([C@H]3CCCNC3)n2)nc1C 257282522 OUATVSINHWBCQB-LBPRGKRZSA-N 303.431 3.127 0 40 DGAB CC1(C)C[C@H](O)[C@H]2CC[C@](CN)(c3ccccc3)CC[C@@H]2O1 257307834 TUICQPKKBQBBJS-DFEOGRTESA-N 303.446 3.002 0 40 DGAB COc1ccc(N(C)C(=O)c2sc(CC3CC3)nc2C)nc1 530451175 FOQRBWBFDBTDPN-UHFFFAOYSA-N 317.414 3.084 0 40 DGAB Cc1ccc2[nH]c(C(=O)NC[C@H](C(=O)O)c3ccccc3)cc2c1 531753018 ILPICUSMFLVGIW-HNNXBMFYSA-N 322.364 3.075 0 40 DGAB CC(C)(C)c1cnc(Cn2cc(-c3ccccc3)ncc2=O)o1 581104022 BYCBUGUCPJJDEX-UHFFFAOYSA-N 309.369 3.244 0 40 DGAB O=C(NCc1cc(C2CC2)ncn1)c1c(F)cccc1Cl 585361061 YPKCMWVVWGAZGJ-UHFFFAOYSA-N 305.740 3.077 0 40 DGAB Cc1cc(OC[C@@H]2CCCN(C(=O)C3CCCC3)C2)ccn1 1776001500 WTYJYGQUPKZRMJ-OAHLLOKOSA-N 302.418 3.198 0 40 DGAB Cc1cc(C(=O)Nc2cccc3ncccc23)nc(C2CC2)n1 1888906804 DIOWFDMWNNXWPO-UHFFFAOYSA-N 304.353 3.463 0 40 DGAB O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CC=CCC1 72286051 PSFPJPSRSBWWKP-GFCCVEGCSA-N 317.776 3.363 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)N[C@@H](C)CCc2ccco2)c1 47742560 VFJANAGJAWECJK-GJZGRUSLSA-N 301.386 3.493 0 40 DGAB CCSc1nc2ccc(NC(=O)CCC(=O)O)cc2s1 1573696 BQNRQLPIALYENG-UHFFFAOYSA-N 310.400 3.212 0 40 DGAB COc1ccc(-c2nc3ncccn3c2Br)cc1 1389800 UEGOTSZXKFZUFZ-UHFFFAOYSA-N 304.147 3.167 0 40 DGAB O=S(=O)(/C=C/c1ccc(Cl)cc1)NCc1ccccc1 1398398 NUSDIKHVZDVBIV-ZHACJKMWSA-N 307.802 3.430 0 40 DGAB O=C(Nc1ccccc1)C(=O)N1CCCC[C@@H]1c1ccccc1 97140600 BJRWQIHETNFQEN-QGZVFWFLSA-N 308.381 3.379 0 40 DGAB O=C(NC(=S)Nc1nccs1)c1cc2ccccc2o1 6345210 QKQWYURYFNPRBL-UHFFFAOYSA-N 303.368 3.016 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1cc2c(cc1C)OCO2 100189502 MKWZFZCAEQLUAH-RHSMWYFYSA-N 323.396 3.084 0 40 DGAB CC(=O)NCCc1ccc(-c2cn3cc(Cl)ccc3n2)cc1 12530022 BXHVVTUIINOTEM-UHFFFAOYSA-N 313.788 3.333 0 40 DGAB CS(=O)(=O)Nc1ccc(-c2nc3ccccc3s2)cc1 8586591 OLKZSKBZDMCTNO-UHFFFAOYSA-N 304.396 3.335 0 40 DGAB COc1ccc(-c2csc(NC(=O)c3cc(C)no3)n2)cc1 8941441 VURRUWXZVQHRPX-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB Cc1ccnn1-c1ccc(C(=O)N[C@H](C)c2ccncc2)cc1 27406518 URNDWKLQRLDSIF-CQSZACIVSA-N 306.369 3.067 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N[C@H](C)c2ccc(Cl)s2)on1 97111485 GJWARTSQRLJHDZ-BDAKNGLRSA-N 313.810 3.376 0 40 DGAB CC(C)Oc1ccccc1CC(=O)N(C)Cc1cccc(O)c1 58294981 KEZYZGKCKGNAES-UHFFFAOYSA-N 313.397 3.381 0 40 DGAB Cc1ccc(NC(=O)Nc2ccn(Cc3cccnc3)n2)cc1 58268197 UOLDVIUZBLZQHB-UHFFFAOYSA-N 307.357 3.279 0 40 DGAB CCSCCC(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 58290175 YXPPNFPDVXWIHJ-JTQLQIEISA-N 323.393 3.196 0 40 DGAB CCn1cc(Cl)c(C(=O)NCCc2c[nH]c3ccccc23)n1 28235320 NCMDHXNOZAGIJO-UHFFFAOYSA-N 316.792 3.010 0 40 DGAB COc1ccc(NC(=O)Nc2nnc(C(C)(C)C)s2)cc1 2273906 UIIRLLQSLOBAQA-UHFFFAOYSA-N 306.391 3.488 0 40 DGAB O=C(Cc1csc(Cc2ccccc2)n1)NCc1ccoc1 48265100 QILSCZPTVQXFMN-UHFFFAOYSA-N 312.394 3.186 0 40 DGAB CCN(Cc1cccc(F)c1)C(=O)Nc1cccnc1OC 48289425 WBIUOTGUPAPXJS-UHFFFAOYSA-N 303.337 3.283 0 40 DGAB Cc1ccc(NC(=O)c2cn(Cc3ccccc3)nn2)c(C)c1 12893359 RYSBCZBDYDNLDN-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB CNC(=O)c1cccc(COc2ccccc2OC(F)F)c1 95396952 JXFMMJYAZSRISQ-UHFFFAOYSA-N 307.296 3.227 0 40 DGAB C[C@@H](OC(=O)Cc1ccc(Cl)cc1)C(=O)Nc1ccccc1 3402385 VLPPKCUVNPIWPW-GFCCVEGCSA-N 317.772 3.453 0 40 DGAB Fc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)c(F)c1 9134586 RXWRKSJAEVTRKE-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB CC1(C)[C@H](c2nc3c4ccccc4ncn3n2)CC[C@@]1(C)C(=O)O 6085700 HVTWIDRZXOVYOX-SGTLLEGYSA-N 324.384 3.272 0 40 DGAB C[C@H](NC(=O)c1ccc(NC2CC2)nc1)c1nc2ccccc2[nH]1 49978083 JKYSYGWQPCUGIJ-NSHDSACASA-N 321.384 3.023 0 40 DGAB FC(F)(F)c1nnc2n1N=C(c1ccc(Cl)s1)CS2 6226358 LZPKTPWLQTXREW-UHFFFAOYSA-N 324.740 3.370 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)C(=O)N[C@@H]1CCCc2ccccc21 65543051 DQWKSOSNLXYPHB-YVEFUNNKSA-N 311.429 3.334 0 40 DGAB COc1ccc(C)cc1CC(=O)Nc1ccc(OC)c(OC)c1 14170427 IVHHBRFRTBGWFI-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB CC(=O)N/C(=C\c1ccccc1)C(=O)OCc1ccc(F)cc1 4564715 OYWLHPSDISRMGM-BOPFTXTBSA-N 313.328 3.046 0 40 DGAB Cc1cc(OCC(=O)NC(c2ccccc2)c2ccccc2)no1 14200016 GSGHAFJXJJYXCX-UHFFFAOYSA-N 322.364 3.268 0 40 DGAB Fc1ccc(F)c(-c2nn3c(-c4ccncc4)nnc3s2)c1 9341327 YGLCCCUMNNRYSB-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB C/C(=C\C(=O)Nc1ccc(-c2nc(C)cc(=O)[nH]2)cc1)C1CC1 96257229 UQQCGQACVFLZDW-PKNBQFBNSA-N 309.369 3.040 0 40 DGAB Cc1ccc(-c2n[nH]cc2CN2CC[C@@H](Oc3ccncc3)C2)o1 93865772 WLQBNIWMLYDDQV-MRXNPFEDSA-N 324.384 3.026 0 40 DGAB Cc1ccc(CN2CCC(C(=O)NC3CCCC3)CC2)cc1 4700084 SJUUGEUPOQUAFX-UHFFFAOYSA-N 300.446 3.266 0 40 DGAB C[C@H](N[C@H]1C[C@H](C)N(c2ccccc2)C1=O)c1cncc(F)c1 90115368 SNIXEVLTEKCKJS-DCGLDWPTSA-N 313.376 3.065 0 40 DGAB Clc1cccnc1N1CCN(c2nc3ccccc3o2)CC1 67710814 WYBHUJYLYHKDOZ-UHFFFAOYSA-N 314.776 3.203 0 40 DGAB COc1ccccc1-c1nc(CN2CCOC(C)(C)C2)cs1 71844477 NNQXOSZANOLDPP-UHFFFAOYSA-N 318.442 3.430 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)c3ccc4c(c3)CCC4)cc2NC1=O 8014371 IPLHPGITIIMNPM-NSHDSACASA-N 322.364 3.147 0 40 DGAB CC(C)SCc1cccc(NC(=O)N[C@@H]2C=C[C@H](CO)C2)c1 81634386 VDGCGZZRCFDMPI-XJKSGUPXSA-N 320.458 3.387 0 40 DGAB COc1cccc(NC(=O)N2CCC[C@@H]2CN2CCCCC2)c1 69221178 NVEQSNTZIGTFPC-MRXNPFEDSA-N 317.433 3.177 0 40 DGAB CC[C@H](CO)NCc1cccc(OCc2ccccc2F)c1 8337116 LLYQGHJMQQQHFU-MRXNPFEDSA-N 303.377 3.265 0 40 DGAB Cc1ccc(Cc2cnc(NC(=O)NC3CC3)s2)cc1F 71901702 JQACEMIPHXRWGA-UHFFFAOYSA-N 305.378 3.465 0 40 DGAB Cc1nc(C2(NC(=O)Nc3ccccc3F)CCCC2)no1 69569991 QFMFFNBHIOTQPT-UHFFFAOYSA-N 304.325 3.108 0 40 DGAB CC(C)NC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 28645756 DIFFPMWEOKCEOY-KRWDZBQOSA-N 310.397 3.072 0 40 DGAB COc1cccc2c(C)c(C(=O)N(C)CC(F)(F)F)oc12 69742970 ZUCXVVPEJNEZOS-UHFFFAOYSA-N 301.264 3.384 0 40 DGAB CCONC(=O)CCc1nc2cc(C(F)(F)F)ccc2s1 69811007 HKQCQORSQZYSKS-UHFFFAOYSA-N 318.320 3.315 0 40 DGAB CC(C)=C[C@@H]1[C@@H](C(=O)N2CCC[C@H](n3ccnc3)C2)C1(C)C 69895702 NREGRAXTCWAVKI-XHSDSOJGSA-N 301.434 3.285 0 40 DGAB CC(=O)[C@@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 8943378 DGSPUTJGBJJXBU-CQSZACIVSA-N 312.398 3.164 0 40 DGAB COC(=O)CCCNC(=O)CSc1c(C)c(C)cc(C)c1C 19352581 VVAXUSCZZYXPHK-UHFFFAOYSA-N 323.458 3.082 0 40 DGAB COCCOc1ccc(NC(=O)NC2[C@@H](C)CCC[C@@H]2C)cn1 72289013 ZLWNRPFMPLYKEN-STQMWFEESA-N 321.421 3.053 0 40 DGAB Cc1ccc2cccc(NC(=O)NCc3c(C)noc3C)c2n1 72285084 IGABYJQIUKWSNT-UHFFFAOYSA-N 310.357 3.470 0 40 DGAB COC(=O)c1ccc(N(C(=O)c2cscn2)C(C)C)c(C)c1 72287309 GDHQJALDPFMGSV-UHFFFAOYSA-N 318.398 3.293 0 40 DGAB Cc1ccc(F)c(CNc2ccccc2OCCC(N)=O)c1 89616573 XCAGKTGYTLAYDD-UHFFFAOYSA-N 302.349 3.000 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)NC3CCC(C)CC3)CC2=O)c1 408641195 LASVSELPVROOOT-SIWZUTFBSA-N 314.429 3.043 0 40 DGAB CCCc1nc(C)c(NC(=O)NCCc2cc(C)no2)s1 554338578 ZHNPNQVMLFAEBR-UHFFFAOYSA-N 308.407 3.065 0 40 DGAB Cc1ccc(C)c([C@@H]2CN(CCCCC(=O)O)[C@H](C)CO2)c1 181570436 GJZGDJOMMCPCAT-WBVHZDCISA-N 305.418 3.320 0 40 DGAB CCOc1cc(C(=O)NCCCN(CC)CC)cc2occc12 72240150 YQFNBUOJXDRRAH-UHFFFAOYSA-N 318.417 3.293 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCN(Cc2ncc(C(C)(C)C)o2)C1 78611055 DRPZSTGTZKPSRH-GFCCVEGCSA-N 323.437 3.071 0 40 DGAB CC(C)CN1CCCC[C@@H]1c1ccc(N2CCOCC2)nc1 72216184 BEMVNOXOZXOOQZ-QGZVFWFLSA-N 303.450 3.101 0 40 DGAB Cc1ccnc(NC2CCC(NC(=O)OC(C)(C)C)CC2)n1 72203871 MNNROZVCALRQGZ-UHFFFAOYSA-N 306.410 3.033 0 40 DGAB Cc1cccc(C(=O)Nc2c(C)cc(-n3cnnc3)cc2C)c1 72228954 UROXOBGBMVIDSB-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB Cc1cc(-n2cnnc2)cc(C)c1NC(=O)c1ccccc1F 72228962 CMUQLOGVIDSHLG-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CCN1C[C@H](C(=O)Nc2ccc(Nc3ccccc3)cc2)CC1=O 32818092 SWRYCYIBSYDQJT-CQSZACIVSA-N 323.396 3.237 0 40 DGAB COc1ccc(OCC(=O)N(C)Cc2ccc(Cl)cc2)cc1 44904402 DMOGCFGTAAVEKF-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB Cc1nc(CN2CC(c3nc(-c4cccs4)no3)C2)cs1 49484720 VBOASZZFPHDCPN-UHFFFAOYSA-N 318.427 3.162 0 40 DGAB CC(C)(C)NC(=O)CCCn1cc(-c2ccc(F)cc2)cn1 227167118 BRZGXCJHNGBGAV-UHFFFAOYSA-N 303.381 3.384 0 40 DGAB C[C@H]1CCSCCN1C(=O)N[C@H](C)CCc1ccc(O)cc1 190701224 YEQJQBQHPGOPJE-KGLIPLIRSA-N 322.474 3.250 0 40 DGAB COc1ccccc1CCCNC(=O)Nc1ccccc1OC 225768799 VXJRANNYJRZWCR-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB CCCC(=O)Nc1nn2c(-c3ccc(Cl)cc3)nnc2s1 41108754 RXXHBDKBZXJFNQ-UHFFFAOYSA-N 321.793 3.245 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC(C)(C)C 222673374 PBGJGOZCILGHMR-AWEZNQCLSA-N 304.434 3.119 0 40 DGAB Cc1ncsc1CNC(=O)N[C@H](C)[C@H](C)c1ccccc1 83214554 JXGNYJTZCJVNOD-NWDGAFQWSA-N 303.431 3.443 0 40 DGAB COc1ccc(-c2ncc(C(=O)NC3CCCC3)c(C)n2)cc1 222575535 OWEPQCTZQITOFZ-UHFFFAOYSA-N 311.385 3.133 0 40 DGAB Cc1[nH]c2ccccc2c1C1=CCN(C(=O)c2nccn2C)CC1 96421349 YMMJWJDWSBZSIE-UHFFFAOYSA-N 320.396 3.139 0 40 DGAB C[C@@H](c1ccccn1)N(C)C(=O)Nc1cnn(-c2ccccc2)c1 96422012 MWBPSPVGPOVVCG-AWEZNQCLSA-N 321.384 3.492 0 40 DGAB Cc1ncc(/C=C/C(=O)O[C@@H]2[C@H]3CCCO[C@H]3C2(C)C)s1 245305048 HUXBWKPXEWNNPG-JWIWJUCGSA-N 307.415 3.212 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C1CC1)[C@@H](C)C(C)C 26669943 VLHLGVFODJHQIK-AWEZNQCLSA-N 304.434 3.451 0 40 DGAB CN(C)c1nccc([C@@H]2CCCCN2Cc2ccsc2)n1 257214984 COENIBQGLFUOLA-HNNXBMFYSA-N 302.447 3.331 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)C1 252584836 DCXCWXWFNSMODT-FGTMMUONSA-N 323.392 3.267 0 40 DGAB CN(C)c1cccc(CC[C@H]2CCCCN2C(=O)C2CCC2)n1 257236927 HEJALEIZCAXGGE-QGZVFWFLSA-N 315.461 3.261 0 40 DGAB CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)c1ccc(C(=O)O)cc1 262549465 SGEMZTDYRDRFIA-NSHDSACASA-N 315.291 3.188 0 40 DGAB O=C(/C=C/c1ccoc1)NCC1(c2ccccc2)CCOCC1 96120227 ZEHMEXZIEVPZHX-VOTSOKGWSA-N 311.381 3.157 0 40 DGAB CN(C)Cc1cccc(CNC(=O)Nc2ccc(F)cc2F)c1 46072081 CBGBMMVWKIGRSR-UHFFFAOYSA-N 319.355 3.348 0 40 DGAB Cn1cc(CCC(=O)N[C@@H](c2ccccc2)C2CCCC2)cn1 55445117 FKDJKTCMAWMFCS-IBGZPJMESA-N 311.429 3.400 0 40 DGAB O=C(c1cc(C2CC2)on1)N1CCN(CC2CC2)c2ccccc21 73304522 ZLUCXJZBZKTOIG-UHFFFAOYSA-N 323.396 3.429 0 40 DGAB O=C(OC[C@H]1CC=CCC1)C1CCN(C(=O)c2ccco2)CC1 61193818 YRFFYPUDLNFINM-AWEZNQCLSA-N 317.385 3.031 0 40 DGAB O=C(c1cc2cc(Br)ccc2oc1=O)C(F)(F)F 2243296 SEIHUXWPMCTHCU-UHFFFAOYSA-N 321.048 3.301 0 40 DGAB CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1 5099947 JLMLLJGVUDQKAI-YVSFHVDLSA-N 323.392 3.177 0 40 DGAB CCCCN1C(=O)S/C(=C/c2ccc(C(=O)OC)cc2)C1=O 5867877 GBTXHCBVSHHJRL-JLHYYAGUSA-N 319.382 3.310 0 40 DGAB CCCc1cc(CNC(=O)c2cc(-c3cccs3)no2)on1 12192556 ADACPSMIZSPCAO-UHFFFAOYSA-N 317.370 3.274 0 40 DGAB CC(C)Cn1nccc1C(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1 565003696 ZCXXMILCAXIKGO-LSDHHAIUSA-N 317.820 3.478 0 40 DGAB CCC[C@@]1(CO)CCN(Cc2c(Cl)cccc2C(=O)O)C1 578551891 MCJKFUQYEFKRFU-MRXNPFEDSA-N 311.809 3.023 0 40 DGAB CC[C@H]1Oc2ccc(O)cc2N(Cc2ccc(F)cc2)C1=O 36260366 SGQCUOZVFMLCEI-OAHLLOKOSA-N 301.317 3.236 0 40 DGAB CCN(C(=O)COC(=O)c1cccnc1Cl)C1CCCCC1 3256156 BZQJWODZTAUYFW-UHFFFAOYSA-N 324.808 3.073 0 40 DGAB c1ccc2nc(N3CCC(c4nnc(C5CC5)o4)CC3)cnc2c1 1888904379 JVUDVPBAPYLOKC-UHFFFAOYSA-N 321.384 3.274 0 40 DGAB CN(C(=O)C(C)(C)C)[C@@H]1CCCN(c2ccc(Cl)cn2)C1 2087130936 SRLAHYVPYQKIIZ-CYBMUJFWSA-N 309.841 3.208 0 40 DGAB CC(=O)N1CCc2ccc(NC(=O)c3ccc(F)c(F)c3)cc21 13696052 RPGIXOIEKQIBNI-UHFFFAOYSA-N 316.307 3.126 0 40 DGAB CC[C@H](C(=O)NC[C@@H](c1ccco1)n1cccn1)c1ccccc1 575613663 JQBRBVLWRSVUMJ-IRXDYDNUSA-N 323.396 3.376 0 40 DGAB O=C(NCCSC(F)(F)F)c1ccc(F)cc1Cl 40118574 BHVFOJLHQQTYKS-UHFFFAOYSA-N 301.692 3.462 0 40 DGAB CCOc1cc(S(=O)(=O)N2CCC[C@H](C)C2)c(C)cc1C 384605 IEASPJAVZYLVFF-LBPRGKRZSA-N 311.447 3.123 0 40 DGAB C[C@H](SC(F)(F)F)C(=O)Nc1ccccc1CN(C)C 40514138 QSXBLLIJUIHHOE-VIFPVBQESA-N 306.353 3.328 0 40 DGAB CN1/C(=C2/N=C(c3ccccc3)OC2=O)Sc2ccccc21 101411054 YMXMWQDLWZUDCR-PEZBUJJGSA-N 308.362 3.401 0 40 DGAB C[C@H](c1ccc(-c2ncccc2C(N)=O)cc1)N1CCCCC1 32540639 RDCDMGRIKFRAAT-CQSZACIVSA-N 309.413 3.394 0 40 DGAB C[C@H](NC(=O)c1cncc(Br)c1)[C@H]1C[C@H]2CC[C@H]1C2 102175873 ANBMLQFBBQTKTP-AYGWYOGXSA-N 323.234 3.399 0 40 DGAB Cc1ccc(NC(=O)COc2nc(C)nc3ccccc23)cc1 21361049 AQUYWLLHUMHOMT-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB Cc1ccccc1OCC(=O)Nc1noc(-c2ccccc2C)n1 21806611 FPQHHCWPISGWNY-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB COc1cc(OC)c(OC)cc1CN[C@H](C)c1ccc(C)o1 22793896 AGKUJPJFIAGDBW-GFCCVEGCSA-N 305.374 3.465 0 40 DGAB O=C(/N=c1\[nH]c2ccccc2n1C1CCCC1)c1ccccn1 76933652 QWULDTXVTRNXCG-UHFFFAOYSA-N 306.369 3.221 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cc3cc(C)ccc3o2)[C@H](C)C1 78897244 JYPVYZZBVRMPJQ-RHSMWYFYSA-N 314.429 3.478 0 40 DGAB C1CC[C@@H](OCC2(CO[C@@H]3CCCCO3)CCCCO2)OC1 1632793 IDTOTNQBUSKSAI-HZPDHXFCSA-N 314.422 3.012 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(OCc2cn3ccccc3n2)cc1 24975897 OHINYJSHFPARGA-CQSZACIVSA-N 323.396 3.442 0 40 DGAB Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N1C[C@@H](C)O[C@H](C)C1 4750201 WNVUHQZXNSWQMB-UPJWGTAASA-N 311.809 3.052 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@H]2CCCC[C@@H]2C(=O)O)c(C)c1 6203615 CEHUAPDITCBLMG-KBMXLJTQSA-N 303.402 3.372 0 40 DGAB Cc1ccc(C)c([C@@H]2S[C@H](C)C(=O)Nc3[nH]nc(C)c32)c1 6678356 FXRFGCAEQNLUBV-RISCZKNCSA-N 301.415 3.498 0 40 DGAB C[C@H](Sc1ccccc1Cl)C(=O)N[C@@H]1CCN(C2CC2)C1 58161077 KRCQTGZVZPLBRQ-NWDGAFQWSA-N 324.877 3.174 0 40 DGAB O=C(Nc1ccc(F)cc1)[C@H]1CC(c2ccc(F)cc2)=NO1 36014771 XPKKOTOHHYNFEC-OAHLLOKOSA-N 302.280 3.097 0 40 DGAB O=C(NCc1ncc(-c2ccccc2)[nH]1)c1ccc(F)cc1F 58202793 YROUKYCKZDTZNW-UHFFFAOYSA-N 313.307 3.285 0 40 DGAB CCn1c(-c2ccc(C)cc2)cnc1S[C@@H]1CCOC1=O 12544392 OLOOJMZJPUFSSW-CQSZACIVSA-N 302.399 3.286 0 40 DGAB COCCOc1cccc(NC(=O)N(C)CC2CCCC2)c1 58426211 QASFEXNSEKBCQP-UHFFFAOYSA-N 306.406 3.366 0 40 DGAB O=C(NCC[C@@H]1CCCO1)c1cc(C2CC2)nc2ccccc12 58407712 HHZIEHLCAJPOKT-AWEZNQCLSA-N 310.397 3.411 0 40 DGAB CCN1CCCc2cc(CCNC(=O)c3cccs3)ccc21 22732603 QTNNNIBUWYRYQT-UHFFFAOYSA-N 314.454 3.493 0 40 DGAB COc1cccc(NC(=O)CN(C)[C@@H]2CCc3ccccc32)c1 29482453 VKPVYMWKNYZGGR-GOSISDBHSA-N 310.397 3.253 0 40 DGAB C[C@H](C1CC1)N(C(=O)c1cncc(Br)c1)C1CC1 46059025 TXOTZTWRHXJFJL-SECBINFHSA-N 309.207 3.247 0 40 DGAB O=C(NCc1nc2ccccc2s1)NC(C1CC1)C1CC1 29722923 LJOGWLYRMNIJQE-UHFFFAOYSA-N 301.415 3.284 0 40 DGAB CC(C)(C)c1ccc(CNC(=O)C(=O)Nc2ccccc2)cc1 59498018 QVBQTKZACAZDDL-UHFFFAOYSA-N 310.397 3.239 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccccc2)c1 12138434 VRMUIZARVJVJKV-UHFFFAOYSA-N 310.397 3.350 0 40 DGAB Fc1cc2ncnc(N3CCC[C@@H](c4ncc[nH]4)C3)c2cc1F 95961970 DWGXOOMKDGBHJO-SNVBAGLBSA-N 315.327 3.015 0 40 DGAB Cc1nc([C@@H](C)NC(=O)CCc2ccsc2)sc1C(=O)O 95997240 QCXXZUKWGSCHOK-SECBINFHSA-N 324.427 3.021 0 40 DGAB COc1cccc(C(=O)CSc2nnc(-c3ccco3)o2)c1 12249194 WJUYNQYKNSGDMA-UHFFFAOYSA-N 316.338 3.313 0 40 DGAB Cc1nc2ncc(C(=O)N3CCc4cc(F)ccc4[C@H]3C)cc2[nH]1 97373380 DYJGJSCXFYIBAD-SNVBAGLBSA-N 324.359 3.165 0 40 DGAB O=C(Nc1nc(-c2ccc(F)c(F)c2)cs1)c1cnccn1 3338941 CYLFKMPKRJEHEB-UHFFFAOYSA-N 318.308 3.131 0 40 DGAB CC(=O)c1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1 3391071 UYBXVKIMFHROPM-KPKJPENVSA-N 323.348 3.084 0 40 DGAB Nc1nc(SCC(=O)c2ccc(C3CCCCC3)cc2)n[nH]1 3420637 CWQPYOFEFJKVFF-UHFFFAOYSA-N 316.430 3.410 0 40 DGAB CNC(=O)c1ccc(Cl)c(NC(=O)NCc2cccs2)c1 48505713 IDUAWBJWQAOGLT-UHFFFAOYSA-N 323.805 3.083 0 40 DGAB O=C(CC1(C(=O)O)CCCCCC1)Nc1ccc2cn[nH]c2c1 13253601 BOYWCKPZRLCOIG-UHFFFAOYSA-N 315.373 3.317 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1 23081098 XQEIZTNNPMAYMG-INIZCTEOSA-N 309.369 3.322 0 40 DGAB O=C([C@@H]1CCCN(Cc2ccc(F)cc2)C1)N1CCCCC1 4746192 FTTZVUUWVKTDRK-MRXNPFEDSA-N 304.409 3.050 0 40 DGAB c1cc(CNCc2ccc(CN3CCCCCCC3)cc2)n[nH]1 66906018 LBKUTRHLYHNNCA-UHFFFAOYSA-N 312.461 3.466 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)COC(=O)c2sccc2C)cc1 67197930 XCMQGRXOIUMEKI-CYBMUJFWSA-N 317.410 3.399 0 40 DGAB CCc1nc2ccccc2n1CC(=O)N(C)[C@@H](C)c1cccnc1 68170636 ZYUVBMZEGXJKJV-AWEZNQCLSA-N 322.412 3.213 0 40 DGAB COc1ccc(C(C)C)cc1S(=O)(=O)N1CCCCCC1 7616239 KNVAMENXSQTRDP-UHFFFAOYSA-N 311.447 3.383 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NCc1csc(C(C)(C)C)n1 71825217 DKLCAWXSZXCNQQ-ZDUSSCGKSA-N 304.463 3.341 0 40 DGAB Cc1cc(OCC(=O)N[C@H](c2ccccc2)C2CCC2)no1 71847570 XDIIHXBJTAARLV-QGZVFWFLSA-N 300.358 3.019 0 40 DGAB C[C@@H]1C[C@H](Sc2nnc(-c3c[nH]c4ccccc34)o2)C(=O)O1 8271408 UVBKASCFKGGADD-PELKAZGASA-N 315.354 3.014 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CN[C@H](C)[C@@H](C)n1cccn1 69368392 DYEPKCCEIDOMOL-VXGBXAGGSA-N 309.845 3.133 0 40 DGAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@@H](C)c2cccc(F)c2)cn1 83843427 ZBSIIEMBYXGQGV-JCKWVBRZSA-N 317.408 3.471 0 40 DGAB CCc1ocnc1C(=O)N1CCn2cccc2[C@H]1c1ccccc1 83817704 WMWGKCIOKORNCL-GOSISDBHSA-N 321.380 3.284 0 40 DGAB CCO[C@H]1C[C@@H](N(C)C(=O)c2ccnc(F)c2)C12CCCC2 71920780 VATAHSADCLJGNT-KGLIPLIRSA-N 306.381 3.031 0 40 DGAB CCOC1CCN(C(=O)NCC2(c3ccccc3C)CC2)CC1 69584082 IWSQMCBVYJADSX-UHFFFAOYSA-N 316.445 3.237 0 40 DGAB CCn1c(SCc2cc(C)no2)nc2ccccc2c1=O 8544307 BZPVZTHIFRFDRK-UHFFFAOYSA-N 301.371 3.005 0 40 DGAB CN(C(=O)NCc1cc(F)cc2c1OCOC2)C1CCCCC1 69809345 MTOOZIDJKSNHDN-UHFFFAOYSA-N 322.380 3.166 0 40 DGAB COc1ccc(CNC(=O)N[C@@H](C)c2cc(C)ccc2C)cn1 9736212 DYIDKWVQRFIJPV-AWEZNQCLSA-N 313.401 3.267 0 40 DGAB OC[C@H](CN[C@@H]1CCCc2cc(F)ccc21)Cc1ccccn1 97033380 MOTLNXHLNAOIFQ-IFXJQAMLSA-N 314.404 3.039 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N[C@@H](C)c2ccc(Cl)s2)on1 97111478 GJWARTSQRLJHDZ-DTWKUNHWSA-N 313.810 3.376 0 40 DGAB C[C@H](c1cccs1)N(C)Cc1nc2ccccc2n(C)c1=O 97201576 LYQISUMLDRVWGA-GFCCVEGCSA-N 313.426 3.188 0 40 DGAB Cc1ccc(C(=O)N(C)[C@H](C)c2cc3ccccc3o2)c(=O)[nH]1 75118278 XYKWJBLBGXFNSY-GFCCVEGCSA-N 310.353 3.263 0 40 DGAB C[C@H](c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1 89913758 DUXOSCJXOLUFPZ-CQSZACIVSA-N 314.433 3.250 0 40 DGAB C[C@@]1(CNC(=O)N[C@@H](CCCO)c2ccccc2)CCCS1 89919365 HHJWQORQLWRNKD-RDJZCZTQSA-N 322.474 3.085 0 40 DGAB CC(=O)c1ccc(OCC(=O)N2CCC[C@H](C)C2)c(Cl)c1 119485364 KGOJDLFMEGIGQC-NSHDSACASA-N 309.793 3.180 0 40 DGAB Cc1c(F)cccc1NC(=O)CCNC(=O)Oc1ccccc1 409002733 PLWBPXJLOPSCRJ-UHFFFAOYSA-N 316.332 3.251 0 40 DGAB Cc1ccc(SC[C@H]2CSc3nc(C)cc(=O)n32)cc1 36724536 JIAXFTUVQVWOBB-LBPRGKRZSA-N 304.440 3.299 0 40 DGAB N[C@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 72227119 VROHEIWMFYHSQD-NEPJUHHUSA-N 312.316 3.182 0 40 DGAB Cn1cnc(-c2cc(Br)cc(C(F)(F)F)c2)n1 2362801289 BFVFWMLIDRPJNG-UHFFFAOYSA-N 306.085 3.263 0 40 DGAB COc1ccc(C(=O)Nc2c(C)cc(C)cc2N)cc1OC 70462847 VWMAYLOULJHTKP-UHFFFAOYSA-N 300.358 3.155 0 40 DGAB c1cncc(-c2nc(CSc3nc4ccccc4[nH]3)n[nH]2)c1 40174581 LGJOUTZBNOCMCE-UHFFFAOYSA-N 308.370 3.035 0 40 DGAB CCOCc1cc(C(=O)NCc2ccco2)ccc1OCC 224693253 PVTWRQRHEKZZDZ-UHFFFAOYSA-N 303.358 3.145 0 40 DGAB O=C(/C=C/c1ccccc1Cl)NC[C@H](O)c1cccs1 75155981 AVMBWCGKOMHTOT-GWJCSSMESA-N 307.802 3.265 0 40 DGAB Cc1ccc(OCC(=O)NCCSCc2ccco2)c(C)c1 138682729 QFNWWPCGWVNVLZ-UHFFFAOYSA-N 319.426 3.325 0 40 DGAB COc1ccc(NC(=S)N[C@@H]2CCCc3ccccc32)cn1 225462967 HVQSBNQHCZJPOL-OAHLLOKOSA-N 313.426 3.454 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](C)C(=O)NC(C)(C)C 222710365 XWTSWHBZRXNXHN-CQSZACIVSA-N 304.434 3.037 0 40 DGAB Cc1cc(NC(=O)N2CC[C@@H](C)C[C@H]2c2ccco2)nn1C 195568943 DTSRXMJUKPAEQY-YPMHNXCESA-N 302.378 3.327 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](C)C(=O)N[C@@H](C)CC 225090806 SGIOUKOTNBGMRG-GJZGRUSLSA-N 304.434 3.037 0 40 DGAB COc1cc(NC(=O)NCCc2ccccn2)ccc1Cl 194376108 HHPLHORAFWVHEC-UHFFFAOYSA-N 305.765 3.108 0 40 DGAB Cc1noc(C)c1[C@H](C)CN[C@H](C)c1ccc([S@](C)=O)cc1 90764608 BHZWPJKSKUHWQP-ZRUHOGSISA-N 320.458 3.483 0 40 DGAB CC1(NC(=O)N[C@H](c2ccccc2)C(F)(F)F)CCOCC1 97100138 OXTAOJZEILVNHX-GFCCVEGCSA-N 316.323 3.158 0 40 DGAB C[C@@H]1CCCCN1C(=O)[C@]1(C)CC(c2cccc(F)c2)=NO1 96192978 MXQRLSWIWVWBPK-PXAZEXFGSA-N 304.365 3.110 0 40 DGAB C[C@@H](CNC(=O)N[C@H]1CCOc2ccccc21)c1nccs1 96013784 UZQFAHGDSUPHJP-AAEUAGOBSA-N 317.414 3.070 0 40 DGAB Cn1cc([C@H]2COC3(CCN(Cc4ccsc4)CC3)C2)cn1 96047790 NASVUBBNQQPRPN-OAHLLOKOSA-N 317.458 3.020 0 40 DGAB Cc1c(C(=O)N2CCCC[C@H]2CN)oc2ccc(Cl)cc12 237742898 IALNSGIDQFVKTQ-LBPRGKRZSA-N 306.793 3.348 0 40 DGAB CS(=O)(=O)c1snnc1-c1ccc(-c2ccccc2)cc1 96525378 ZSKDODYLIQBJKM-UHFFFAOYSA-N 316.407 3.276 0 40 DGAB Cc1ccc(-n2cc(NC(=O)N3CCC(F)(F)C3)cn2)c(C)c1 332103091 DADILBMRBQPOFN-UHFFFAOYSA-N 320.343 3.362 0 40 DGAB c1nc(C2OCCO2)sc1CN1CCCC[C@H]1C1CCC1 585089102 JLECHUAEIHYVKB-AWEZNQCLSA-N 308.447 3.343 0 40 DGAB Cc1cccc([C@@H](C)NC(=O)c2cnc(C3CC3)nc2O)c1C 585134251 KBODMNVAIFFXDT-GFCCVEGCSA-N 311.385 3.167 0 40 DGAB CS(C)(=O)=Nc1cnn(Cc2c(F)cccc2Cl)c1 585122914 IHHQNPHXPVVXHB-UHFFFAOYSA-N 301.774 3.083 0 40 DGAB CCS[C@H]1CCCCN(C(=O)CCCCC[C@@H](C)O)C1 585131633 BFDFAOBWXTXKQM-CABCVRRESA-N 301.496 3.452 0 40 DGAB CC1(C)[C@@H]2C[C@@H]1CC=C2[C@H]1NC(N)=Nc2nc3ccccc3n21 245237563 NPWRIMCTAVGORR-NVBFEUDRSA-N 307.401 3.077 0 40 DGAB O=C(C1CCCCC1)N1C[C@H]2CC[C@H](Cc3cnccn3)[C@H]2C1 257209702 BRORJTJQJSWWCR-JFIYKMOQSA-N 313.445 3.084 0 40 DGAB O=C(Nc1ccc([C@H]2CCOC2)cc1)c1cc(Cl)ccn1 359038851 MISUARMFMCNIPY-LBPRGKRZSA-N 302.761 3.491 0 40 DGAB CN(C(=O)NCC1(c2cccc(F)c2)CCOCC1)C1CCC1 73829353 PCPSVWXLFGVOBP-UHFFFAOYSA-N 320.408 3.068 0 40 DGAB CC(=O)Nc1nc([C@H]2CCCN2Cc2ncccc2C)cs1 1615525653 KUKSBVPQDYZPGW-OAHLLOKOSA-N 316.430 3.142 0 40 DGAB COCCCNC(=S)Nc1ccc(Br)c(C)c1 13795490 SXOADVCOMORKBS-UHFFFAOYSA-N 317.252 3.080 0 40 DGAB Cc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2C)cc1 5562240 BKGQMENNBPEZMI-MRXNPFEDSA-N 323.323 3.416 0 40 DGAB COC(=O)[C@H](C)Oc1cc2oc(=O)c(C)c(C)c2cc1Cl 11765996 VONPOBUTIKZCEP-VIFPVBQESA-N 310.733 3.004 0 40 DGAB CCCc1cc(CNC(=O)c2[nH]nc(-c3ccccc3)c2C)on1 12147192 WYUICFHDKHZIQP-UHFFFAOYSA-N 324.384 3.256 0 40 DGAB CCOC(=O)[C@@H]1[C@@H]2[C@H]1CC[C@@]21CC(=O)c2cc(Cl)ccc2O1 12275257 NNSGKJRIAUOMNB-BNZUTGMDSA-N 320.772 3.263 0 40 DGAB COc1ccc(/C=C/C2=CC(C)(C)NC(S)=N2)c(OC)c1 13522641 YRWBDZODXRMJDJ-FNORWQNLSA-N 304.415 3.269 0 40 DGAB Cc1ccc(C)c2sc(NC(=S)NC(=O)C(C)C)nc12 14257660 DGVDBZZLSRFDAT-UHFFFAOYSA-N 307.444 3.382 0 40 DGAB Clc1ccc(-n2nnnc2/C=C/N2CCCCCC2)cc1 16429776 ZTCAWPIOONCWCL-FMIVXFBMSA-N 303.797 3.162 0 40 DGAB Fc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19842462 SRFLUJDNZXIEFF-SQNIBIBYSA-N 300.421 3.156 0 40 DGAB Cc1c(Cl)cccc1NC(=O)/C(Cl)=C(\Cl)C(=O)O 1616803 WVGBXGFPZAZJEF-CMDGGOBGSA-N 308.548 3.361 0 40 DGAB O=C(NC[C@@H]1CCCO1)NCC1(c2cccs2)CCCC1 225551586 FOIALIRAHDWBQA-ZDUSSCGKSA-N 308.447 3.038 0 40 DGAB Cc1cccnc1CN1CCC[C@H](O)[C@@H]1Cc1cccc(F)c1 643914816 XMPZIUPVZYSCEX-OALUTQOASA-N 314.404 3.097 0 40 DGAB COc1ccc(CNc2nccn(-c3cccc(C)c3)c2=O)cc1 15732378 DZQGNUFDQAFHID-UHFFFAOYSA-N 321.380 3.162 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(N)cc1Br 36738587 MFOIOAUPPPVIDI-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB COc1ccccc1[C@H]1C=C(c2ccccc2)Nc2ncnn21 100888967 AFWGJJUYUDSCES-MRXNPFEDSA-N 304.353 3.343 0 40 DGAB O=C(NCCCOCC1CC1)c1csc(-c2ccccc2)n1 40009933 AQRAMQVTXBSCBX-UHFFFAOYSA-N 316.426 3.357 0 40 DGAB O=C(NC[C@H]1C[C@H]2C=C[C@H]1C2)c1cccc(Nc2ncccn2)c1 101412428 KZGNGTGNEWVFSB-OFQRWUPVSA-N 320.396 3.162 0 40 DGAB Cc1ccc(CC(=O)NCCCN(C)Cc2ccccc2)cc1C 32845467 MRLTVKCPIHWENU-UHFFFAOYSA-N 324.468 3.484 0 40 DGAB COC(=O)c1ccc(-c2nc3ncccn3c2NC(C)(C)C)cc1 32918532 AIZJPOHFPAWNQH-UHFFFAOYSA-N 324.384 3.393 0 40 DGAB COc1ccc(C2CC(=O)N(CCc3ccccc3)C(=O)C2)cc1 32985355 BTPKEZMCDMXGSA-UHFFFAOYSA-N 323.392 3.171 0 40 DGAB Cc1cc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)n(C)n1 52797570 YHPFCFVKCDDWMM-OAHLLOKOSA-N 316.380 3.107 0 40 DGAB COc1ccc2c(ccn2CC(=O)N2CCC[C@H]2C2CCC2)c1 102876970 ROVJXAAKZXQQJG-SFHVURJKSA-N 312.413 3.441 0 40 DGAB Cc1ccc(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)c1 316508 DHWQGCDAMVWBEI-LJQANCHMSA-N 309.365 3.025 0 40 DGAB CCN(CC)C1=NS(=O)(=O)c2ccccc2C(SC)=C1C 1558263 WWRKURCDUZTYQC-UHFFFAOYSA-N 324.471 3.223 0 40 DGAB CC[C@@H](C(=O)Nc1ccc(O)c(C(=O)OC)c1)c1ccccc1 2073519 BYDFRLUINAWIQL-CQSZACIVSA-N 313.353 3.311 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccccc1 2427096 KVDCUGMBKVOJRA-MRXNPFEDSA-N 305.333 3.358 0 40 DGAB CSc1ccccc1NC(=O)COC(=O)c1cccs1 3237345 RZDDXKJCNLMIIW-UHFFFAOYSA-N 307.396 3.266 0 40 DGAB O=C(COC(=O)c1ccccc1)Nc1ccc(OC(F)F)cc1 3283920 VIFMWDLCFPREPU-UHFFFAOYSA-N 321.279 3.084 0 40 DGAB C[C@@]1(c2ccccc2Cl)NC(=O)N(Cc2ccccc2)C1=O 4477838 PYSPTTSUUGKVIV-KRWDZBQOSA-N 314.772 3.307 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H](C)Sc2ccccn2)cc1 4835280 GTNBMYMKLFOWAX-NSHDSACASA-N 315.398 3.159 0 40 DGAB CCOc1ccccc1C(=O)Nc1nonc1-c1ccccc1 5354314 JIRDMBDNZBUZOD-UHFFFAOYSA-N 309.325 3.388 0 40 DGAB CN(C[C@H](O)CN1CCCc2ccccc21)C1CCCCC1 5423056 DRFCVARXMUVTPU-SFHVURJKSA-N 302.462 3.065 0 40 DGAB CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2C)NC(=O)N1 5517353 WXZPCTZPRMTBOW-KRWDZBQOSA-N 321.380 3.262 0 40 DGAB NC(=O)c1sc2nc(-c3ccc(Cl)cc3)ccc2c1N 5740848 VZBANLONLTULGB-UHFFFAOYSA-N 303.774 3.298 0 40 DGAB CCOc1cc(CNC[C@@H](C)O)ccc1OCc1ccccc1 8254647 VXKIBGRSJQPSLO-OAHLLOKOSA-N 315.413 3.135 0 40 DGAB CC(=O)[C@H](C)Sc1nnc(-c2ccccc2F)n1C1CC1 8314388 COPHJKCDILGTDU-JTQLQIEISA-N 305.378 3.489 0 40 DGAB COC(=O)c1c(N)c2cc(OCc3ccccc3)ccc2n1C 8417100 OZIOHLJGXNZCPL-UHFFFAOYSA-N 310.353 3.126 0 40 DGAB CC(C)CN1C(=O)CCc2cc(NC(=O)c3ccco3)ccc21 9137625 BLDZLJUQXQGUEI-UHFFFAOYSA-N 312.369 3.467 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)CCc3cccs3)cc2NC1=O 10031634 SGMCJNIAEOYMKA-SNVBAGLBSA-N 316.382 3.039 0 40 DGAB O=C(CN1CCc2sccc2C1)NCc1ccccc1Cl 10341008 RNRQSYIBYOFTTM-UHFFFAOYSA-N 320.845 3.076 0 40 DGAB O=C(CSc1nc2ccccc2o1)NC(=O)C1CCCCC1 10963295 UISRIJVTPZBAJJ-UHFFFAOYSA-N 318.398 3.143 0 40 DGAB O=C(c1cscn1)N1CCC(c2cc3ncccc3cn2)CC1 12224150 RBYHOUUJZPSNFL-UHFFFAOYSA-N 324.409 3.106 0 40 DGAB CCn1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)c(C)n1 12344378 XPPVGZULJDWSAM-UHFFFAOYSA-N 313.445 3.003 0 40 DGAB CSc1nc2nc(C)c(-c3ccc(Cl)cc3)c(N)n2n1 13638106 FKHMKBZOVQXAQS-UHFFFAOYSA-N 305.794 3.057 0 40 DGAB COc1cc(NC(=O)CNc2ccc(C)c(F)c2)cc(OC)c1 15123115 BDEUYJZVTSLXGX-UHFFFAOYSA-N 318.348 3.202 0 40 DGAB OCc1c[nH]c(=S)n1CCOc1cccc(C(F)(F)F)c1 15923729 GAZPNJRIGPWEQC-UHFFFAOYSA-N 318.320 3.136 0 40 DGAB C[C@H]([C@@H](O)c1ccccc1)N1CC[C@@H](Nc2ccccc2)CC1=O 16698026 YKGWVPYIUSCMSX-XFQXTVEOSA-N 324.424 3.212 0 40 DGAB CCCOc1ccc(C(=O)Nc2cc(N)ccc2OC)cc1 19736214 PXMGVJLAFRRBNY-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB COc1ccc(NC(=O)c2ccc(N)cc2Cl)cc1OC 20002630 UTUXYJWECBAYAR-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(C(=O)O)c(Cl)c2)cc1 20137298 KUABDXRHMQVJMU-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(N2CCCCC2)nc1 20373006 KOPZFRIEDQEXNM-UHFFFAOYSA-N 311.385 3.333 0 40 DGAB Cc1cc2ccccc2n1CC(=O)OCc1nnsc1Cl 21998841 NIEZMYYWHLBQRW-UHFFFAOYSA-N 321.789 3.198 0 40 DGAB CCC(=O)Nc1nc(C)c(Cc2ccc3c(c2)OCO3)s1 22880234 OTXYBNIMRGVAAK-UHFFFAOYSA-N 304.371 3.120 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(NC(=O)NC3CC3)cc2)o1 25090385 YEMQKGUQRDVLHF-UHFFFAOYSA-N 313.357 3.378 0 40 DGAB CC(C)(C)C(=O)NCCC(=O)Nc1ccc(C(F)(F)F)cc1 25896718 BVMHSKFDNSRRSM-UHFFFAOYSA-N 316.323 3.196 0 40 DGAB O=C(Nc1ccccc1C(=O)N1CCCCC1)C1CCCC1 27916745 BBSAPVGJOMQCMH-UHFFFAOYSA-N 300.402 3.441 0 40 DGAB Cc1ccc2nc(NC(=O)c3c(C)nn(C)c3C)sc2c1 28235127 DPEFEDWMAMGJSC-UHFFFAOYSA-N 300.387 3.207 0 40 DGAB O=C(CCNC(=O)C1CCCC1)Nc1cccc(Cl)c1F 31583458 DYXSJEDBECZFMH-UHFFFAOYSA-N 312.772 3.114 0 40 DGAB Cc1ccc(C(=O)NC[C@@H](C)N2CCc3sccc3C2)s1 32428044 ODLCSMQXDDKBJG-LLVKDONJSA-N 320.483 3.295 0 40 DGAB C[C@H](Nc1cccc(NC(=O)C2CC2)c1)C(=O)Nc1ccccc1 32771632 OBOWRAQRQKTLLL-ZDUSSCGKSA-N 323.396 3.474 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 33183824 IHHDJMZXHYMRQB-OLZOCXBDSA-N 315.442 3.443 0 40 DGAB O=C(NC1CCCC1)C1CCN(CCCc2ccccc2)CC1 33428934 BMLMXNQZHFMXJN-UHFFFAOYSA-N 314.473 3.390 0 40 DGAB CC(C)OC[C@H](O)CN(Cc1ccccc1)Cc1ccco1 36103232 IJGZAKAHXNDZHM-QGZVFWFLSA-N 303.402 3.068 0 40 DGAB C[C@]1(C(=O)Nc2ccc(Cl)cn2)Oc2ccccc2N=C1O 36353665 WHOVQJONVGGYNP-HNNXBMFYSA-N 317.732 3.113 0 40 DGAB Cc1cc(C(=O)Nc2cccnc2Cl)c2c(C)noc2n1 36613941 OIYYDXMOTKHCML-UHFFFAOYSA-N 302.721 3.140 0 40 DGAB CCCc1cc(C(=O)N2CCC[C@H](C(=O)OCC)C2)sc1C 39975848 CMDMYGDNNALFNT-AWEZNQCLSA-N 323.458 3.424 0 40 DGAB O=C(NCc1ccc(N2CCCCC2)nc1)c1cccs1 40118882 RILJSDDJKYWCAJ-UHFFFAOYSA-N 301.415 3.063 0 40 DGAB O=C(/C=C/c1ccccc1)NCC1CCN(c2ccccn2)CC1 43975474 ZTANGVVJKNNDQF-MDZDMXLPSA-N 321.424 3.128 0 40 DGAB Cc1nc2ccccc2nc1CS(=O)(=O)Cc1ccccc1 44640653 HEXTWEJZAFAWFG-UHFFFAOYSA-N 312.394 3.053 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N1CCO[C@@H]2CCCC[C@H]21 46486217 NNGCHLICYWRWNL-QZTJIDSGSA-N 312.413 3.271 0 40 DGAB Cc1ccc2ncn(Cc3cc(-c4ccccc4)on3)c(=O)c2c1 46876486 LMKHOYKTESVGRS-UHFFFAOYSA-N 317.348 3.408 0 40 DGAB CN(C)CC(C)(C)CNC(=O)c1cc2c(F)cccc2s1 48345066 AARBKNBGDBQWLP-UHFFFAOYSA-N 308.422 3.358 0 40 DGAB COc1ccc(NC(=O)[C@H]2COc3ccccc3C2)cc1F 48345678 OVMDIIHIWWJJPO-GFCCVEGCSA-N 301.317 3.024 0 40 DGAB Cc1c(C(=O)N2CCO[C@@H]3CCC[C@@H]32)oc2c(F)cccc12 53381541 IOIUDSJYQYXTOG-UONOGXRCSA-N 303.333 3.274 0 40 DGAB CCCCc1nc(CN2CCC(c3ccc(O)cc3)CC2)no1 53606204 DQZXHKIXCMLIAF-UHFFFAOYSA-N 315.417 3.497 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N(C)c1ccc(F)cc1 55750777 YYFMSMACTOAQJS-MEDUHNTESA-N 301.317 3.017 0 40 DGAB C[C@@H]1CN(C(=O)CNc2ccccc2-c2ccccc2)CCO1 56395161 SKGGXLXXPKNRNT-OAHLLOKOSA-N 310.397 3.013 0 40 DGAB CN(c1ccccc1)C1CCN(C(=O)Nc2ccncc2)CC1 56501398 PLNDGWRKAIINPA-UHFFFAOYSA-N 310.401 3.214 0 40 DGAB NNc1nc2c(C(F)(F)F)cc(Br)cc2s1 57327399 WPTHIILFNAXMMY-UHFFFAOYSA-N 312.114 3.363 0 40 DGAB O=C(CSC[C@@H](O)c1ccccc1)NC1CCCCCC1 58307702 JLUVQQVRINCZMS-MRXNPFEDSA-N 307.459 3.292 0 40 DGAB COc1ccccc1C[C@@H]1CCCN1C(=O)Nc1ccncc1 58515255 PWPVKMYBJDLHAA-INIZCTEOSA-N 311.385 3.329 0 40 DGAB CCN1CCC[C@@H](Nc2nc(C)nc3sc4c(c23)CCC4)C1 60452645 YYJQMFPXGJKJEC-GFCCVEGCSA-N 316.474 3.385 0 40 DGAB CCc1ccc(CN(C)C(=O)CN2CCCCCCC2)cc1 61758487 SXBBOGJSPZADRE-UHFFFAOYSA-N 302.462 3.474 0 40 DGAB c1nc(N2CCN(CC3CCCCC3)CC2)c2sccc2n1 64129159 MGWLNAHBALZFFM-UHFFFAOYSA-N 316.474 3.394 0 40 DGAB Cc1c(C(=O)Nc2nc3ccccc3n2C(C)(C)C)cnn1C 69419599 HNQCOFYVVOLBII-UHFFFAOYSA-N 311.389 3.086 0 40 DGAB CCC[C@H](C)C(=O)NCc1cn2cc(Br)ccc2n1 69596812 UWVDBDBHEXYEQY-JTQLQIEISA-N 324.222 3.149 0 40 DGAB O=C(/C=C/c1ccsc1)Nc1nc2c(s1)C(=O)CCC2 69699644 BFKGVVFFIQQWBZ-SNAWJCMRSA-N 304.396 3.376 0 40 DGAB COc1ccccc1C(=O)NC[C@H](O)c1cccc2ccccc12 70635955 BVGBEXIHUCUFFV-SFHVURJKSA-N 321.376 3.312 0 40 DGAB CN1CCC[C@H](CSc2nncn2CCc2cccs2)C1 71804190 DTBRNZNZJWSIFZ-ZDUSSCGKSA-N 322.503 3.016 0 40 DGAB CC(C)(C)c1ccc(NC(=O)Cc2noc3ccccc23)nn1 71911031 GLECLAVPPXDNRT-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB Cc1cccc(N2C(=O)[C@H](N)[C@H]2c2ccc(C(F)(F)F)cc2)c1 72227444 NNNOVXSMYRQRQM-HUUCEWRRSA-N 320.314 3.429 0 40 DGAB Cc1occc1C(=O)N1CCC[C@H](c2noc(C(C)C)n2)C1 72232168 CUNJXORWNIRHEE-LBPRGKRZSA-N 303.362 3.114 0 40 DGAB Cn1cc(NC(=O)Nc2cccc(C(=O)c3ccccc3)c2)cn1 72274154 RDOUHZDJSKJWSP-UHFFFAOYSA-N 320.352 3.295 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1C(C)C 72282809 GYJLQXRNRVYSLK-OAHLLOKOSA-N 314.433 3.429 0 40 DGAB COc1ccccc1CNC(=O)c1cn[nH]c1-c1cccc(C)c1 72329106 HSKHILRSOMMJEM-UHFFFAOYSA-N 321.380 3.324 0 40 DGAB c1ccc([C@@H]2CN(Cc3ccccn3)C[C@H]2c2cc[nH]n2)cc1 72395180 RPTNNBPPMQGTIM-ZWKOTPCHSA-N 304.397 3.188 0 40 DGAB COc1cc(CCNC(=O)N2C[C@H](C)CCC[C@@H]2C)ccc1O 74265032 NITZLUUZPRZWJV-KGLIPLIRSA-N 320.433 3.163 0 40 DGAB CCOC(=O)[C@@H](C)CNC(=O)Nc1ccccc1C(F)(F)F 75105158 ZYSCVHLIASZXHK-VIFPVBQESA-N 318.295 3.026 0 40 DGAB CCCCC1CCC(C(=O)N2CCC[C@@H](n3cncn3)C2)CC1 75602517 GZKYZMFTLUHPIQ-OFLPRAFFSA-N 318.465 3.438 0 40 DGAB CC(C)C(=O)N1CC[C@@H](NCc2csc(C3CC3)n2)[C@H](C)C1 76057470 AYMQPSIFMRYTIW-IUODEOHRSA-N 321.490 3.003 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)N[C@H](C)c2ccccn2)cc1 76940765 NNVYPWSXCDQRRP-OLZOCXBDSA-N 316.426 3.448 0 40 DGAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@H]2CCCC[C@@H]2C1 78494822 JHNBULPDCHGRSI-GHMZBOCLSA-N 318.402 3.452 0 40 DGAB CN(C)c1cccc(CNCc2cnn(Cc3ccccc3)c2)c1 78757912 VDRKBEWMKAGVES-UHFFFAOYSA-N 320.440 3.287 0 40 DGAB COC(=O)Nc1ccc(NC(=O)c2ccc(Cl)cc2O)cc1 79335376 GDYTUZOQOLVUPP-UHFFFAOYSA-N 320.732 3.476 0 40 DGAB CCOC[C@H]1CCN(C(=O)NCc2c(C)cc(C)cc2C)C1 81489419 XLQFAZHHVLRALI-INIZCTEOSA-N 304.434 3.180 0 40 DGAB CC(C)(C)c1nc(C(C)(C)NC(=O)[C@@H]2C[C@H]2c2ccco2)no1 84284846 VCIAYGFMEVTYQK-GHMZBOCLSA-N 317.389 3.115 0 40 DGAB CO[C@H](C(=O)N[C@H](C)CCc1ccc(O)cc1)c1ccccc1 84637494 CJYCTLMHJTVXTC-KDOFPFPSSA-N 313.397 3.217 0 40 DGAB CN(Cc1cccs1)C[C@@H](O)COc1cccc2[nH]ccc12 89363742 RTRMNEUQVSAVEF-CYBMUJFWSA-N 316.426 3.101 0 40 DGAB CCc1ccc(C(=O)N(C)Cc2c(C)nc3sc(C)cn23)o1 89739031 QYPHQZIAZGKBKB-UHFFFAOYSA-N 317.414 3.440 0 40 DGAB CCO[C@@H](C)c1noc(Cn2c(C3CC3)nc3ccccc32)n1 89985006 USPOGYZDOQDUOD-NSHDSACASA-N 312.373 3.443 0 40 DGAB Cc1cccc([C@@H](C(=O)O)N2CCN(c3ccccc3)CC2)c1C 91690128 FMVMYSKCLOVPQL-IBGZPJMESA-N 324.424 3.251 0 40 DGAB CS(=O)(=O)Cc1ccc(Cl)cc1NC1CCSCC1 92169832 QOGJYDKYAJOOOK-UHFFFAOYSA-N 319.879 3.192 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N3CCC=C(F)C3)c12 95992813 PBZOPHLZVQYBNM-UHFFFAOYSA-N 301.321 3.108 0 40 DGAB Fc1ccc(COC2CCN(Cc3cncs3)CC2)cc1 95999441 MGRSRGVOJHGKQF-UHFFFAOYSA-N 306.406 3.463 0 40 DGAB c1cc(CN2CCC3(CC2)C[C@@H](OCC2CC2)CO3)cs1 96106609 WQGBUADLDUSHJP-MRXNPFEDSA-N 307.459 3.298 0 40 DGAB CN(C(=O)/C=C/c1ccncc1)[C@H]1CCCN(c2ccccc2)C1 96406409 HWFUSPMOZYBOIA-YXBWYFRISA-N 321.424 3.222 0 40 DGAB COCc1nc(CNc2ccc3c(c2)nc(C)n3C)cs1 96482924 VSECRUJDZFEJFO-UHFFFAOYSA-N 302.403 3.097 0 40 DGAB CC(C)(C)c1nc2ccccn2c1I 96536899 UBZVIIBCNGSZGL-UHFFFAOYSA-N 300.143 3.236 0 40 DGAB CN(Cc1nc2ccccc2[nH]c1=O)[C@@H]1CCCc2ccccc21 97201168 DAHZQWYOGVLHBX-LJQANCHMSA-N 319.408 3.433 0 40 DGAB O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)c1ccc2[nH]cnc2c1 98014496 NKMNNGFVYGICLX-CRAIPNDOSA-N 321.380 3.071 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@@H](CC4)[C@H]3C2=O)cc1 100174691 LXKDCMXDCMYIEL-MGBSGCIJSA-N 311.381 3.177 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H]([C@H]5C[C@H]45)[C@@H]3C2=O)cc1 100179648 FRINMYWKWPHCRN-SUMCQTLJSA-N 323.392 3.033 0 40 DGAB CCOCCN(C)C1C[C@@H]2CC[C@@H](C1)N2Cc1ccccc1 102733271 OCGSMSPNVDQFFG-ROUUACIJSA-N 302.462 3.150 0 40 DGAB Cn1ccs/c1=N\C(=O)c1csc(-c2ccsc2)n1 102886002 ZBMXNCYITVMQCL-OWBHPGMISA-N 307.425 3.013 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)c1cc(=O)[nH]c3ccccc13)C2 102956441 PNMKORDLCMNLRD-KRYHZZBUSA-N 324.424 3.473 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@H]3C2=C(C)C)cc1 102985982 RWMYBCJSDRVINF-LAQRGFTBSA-N 323.392 3.343 0 40 DGAB CCn1[nH]cc/c1=N\C(=O)Cc1coc2ccc3ccccc3c12 105073473 BLHUHKCZEKOANC-HEHNFIMWSA-N 319.364 3.406 0 40 DGAB Cc1cc([C@H](C)NCC(=O)N[C@H](C)c2cccs2)c(C)o1 183808077 ULELMASOQHJNJL-NWDGAFQWSA-N 306.431 3.486 0 40 DGAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1ccnn1C 189483454 GJENSCKMUWANTO-MLGOLLRUSA-N 305.809 3.036 0 40 DGAB Cc1cnc(C(=O)N2CCCSc3ccc(F)cc32)cn1 190429482 XDEGIALCGQXFHG-UHFFFAOYSA-N 303.362 3.067 0 40 DGAB O=C(O)c1cc(OCc2cccc(Br)c2)ccc1O 216849480 CZOOJLNHRNFZFD-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB CC(C)Oc1cccc(NC(=S)NCCCN2CCCC2)c1 225434610 MSUCBHMJFRAJEL-UHFFFAOYSA-N 321.490 3.246 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)c1cc(N2CCCC2)ncn1 225535509 DJQRKDXUXYXWEX-UHFFFAOYSA-N 316.792 3.291 0 40 DGAB Cc1ccc(OCCNC(=S)Nc2cc(C)ccn2)cc1 225563607 HLEKGHPNEQHTPC-UHFFFAOYSA-N 301.415 3.064 0 40 DGAB Cc1cc(C)c2c(=O)ccn(CC(=O)Nc3ccc(F)cc3)c2c1 225754780 UKCBUCXXIGAQOO-UHFFFAOYSA-N 324.355 3.396 0 40 DGAB Cc1cc(CC(=O)N2CC[C@H](c3cccc(F)c3)C2)ccc1O 245015136 LNNPHWRASUOPFI-INIZCTEOSA-N 313.372 3.398 0 40 DGAB Cc1cccc(F)c1NC(=O)NC(C)(C)C(=O)NCC(C)(C)C 252481076 CHNDRMKDPJRHKL-UHFFFAOYSA-N 323.412 3.197 0 40 DGAB Cc1nc([C@H]2CCCN2Cc2ccsc2)cc(N(C)C)n1 257273730 NHXWUVOKJCEFMG-OAHLLOKOSA-N 302.447 3.250 0 40 DGAB O=C1OC2(CCCCC2)CN1c1cccc(C2CCNCC2)n1 257281603 OQCFXRRSWMIPQF-UHFFFAOYSA-N 315.417 3.208 0 40 DGAB O=C(c1cncs1)N1CCCC[C@@H]1c1nc2ccccc2[nH]1 257341322 ZJWCGSMYVHGTDW-CYBMUJFWSA-N 312.398 3.387 0 40 DGAB C[C@H]1CC(C)(C)C[C@@](CO)(NCc2ccc(C(=O)O)cc2)C1 455614516 DGBYYBIPPQYEKT-UGSOOPFHSA-N 305.418 3.052 0 40 DGAB Cc1noc(C(C)C)c1C(=O)Nc1cnc2c(n1)CCCC2 575603179 IANWISNZMGHWAP-UHFFFAOYSA-N 300.362 3.028 0 40 DGAB Cc1csc(C(=O)NC[C@H](c2ccsc2)n2cccn2)c1 575614430 SMGYGAHIYMDFQD-CYBMUJFWSA-N 317.439 3.334 0 40 DGAB CCCCN(Cc1csnn1)C1CC(C)(C)NC(C)(C)C1 585116454 WWPNPYMDPGNODA-UHFFFAOYSA-N 310.511 3.449 0 40 DGAB O=C(Nc1cccc(N2CCCC2)c1)c1cc(C(F)F)[nH]n1 585135388 GWBBXQOTWFXWMX-UHFFFAOYSA-N 306.316 3.200 0 40 DGAB O=C(/C=C/c1cccs1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565523853 YUBHLQVNKVMCPA-AGKLADILSA-N 313.426 3.353 0 40 DGAB Cc1cccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)c1C 2087051393 OMUGRPFNIOVQBV-UHFFFAOYSA-N 312.413 3.196 0 40 DGAB Cc1csc(NC(=O)CSc2nc3ccccc3o2)n1 909551 MVPRZXNGIONUBR-UHFFFAOYSA-N 305.384 3.324 0 40 DGAB CCCC(=O)Nc1cc(OC)c(NC(=O)C(C)C)cc1OC 1324300 NOGSKGANBNHFOQ-UHFFFAOYSA-N 308.378 3.037 0 40 DGAB CC1=C(C)SC(=C2Sc3[nH]c(=O)[nH]c(=O)c3S2)S1 1636581 HEGJLDDPEVAORA-UHFFFAOYSA-N 316.454 3.119 0 40 DGAB O=C(/C=C/c1ccccc1)NCCCCNC(=O)c1ccccc1 2100050 XYVZRTYPQHUZGY-BUHFOSPRSA-N 322.408 3.026 0 40 DGAB biogenic CCCCCOc1ccc(C(=O)N[C@@H](CC(C)C)C(=O)O)cc1 2292269 DLUSUFYRJJDNKI-INIZCTEOSA-N 321.417 3.485 0 40 DGAB S=C(NCCc1c[nH]c2ccccc12)NCc1ccccc1 2623887 CTIFGTMXPPBGIH-UHFFFAOYSA-N 309.438 3.375 0 40 DGAB CC(C)(C)C(=O)COC(=O)CCC(=O)c1ccc(Cl)cc1 2641396 RBLYBNMOBQNCQJ-UHFFFAOYSA-N 310.777 3.461 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@@H](C)Sc2nnc(C)s2)cc1 3389039 HMWUCNJMMADGGE-SECBINFHSA-N 321.427 3.168 0 40 DGAB Cc1cccc(C(=O)OCC(=O)Nc2cc(F)ccc2F)c1 3442737 UDCILCLFGWGORK-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NC2CCCC2)c(C)c1 3499390 SLIDJCWODWZMCN-UHFFFAOYSA-N 306.431 3.164 0 40 DGAB COc1cccc(-c2nnc(NC(=O)c3cccc(C)c3)o2)c1 4329818 VPAIXQCFKQCSHT-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CC[C@H](C)[C@H](CC)C(=O)NC(=O)NC(=O)[C@@H](CC)[C@@H](C)CC 4705919 MIVQLJVKKVNMRL-XUXIUFHCSA-N 312.454 3.483 0 40 DGAB c1ccc(-c2noc(CSc3nnc4ccccn34)n2)cc1 6115275 OMRPMRKFSMVLKN-UHFFFAOYSA-N 309.354 3.072 0 40 DGAB CCN(CC)c1ccc(NS(=O)(=O)c2cccc(F)c2)cc1 7053508 TXDSRDZDCNRLJD-UHFFFAOYSA-N 322.405 3.473 0 40 DGAB CCCCn1nnnc1NCc1ccc(Cl)cc1Cl 7262175 GQYQTZGVTJZXAL-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB CC[C@H](NS(=O)(=O)c1ccc(OC)cc1)c1ccc(C)cc1 7308790 UBBQEDUCJVVOPH-KRWDZBQOSA-N 319.426 3.433 0 40 DGAB Cc1cc(C(=O)OCC(=O)NC2CCCCC2)c(C)n1C1CC1 7575335 HFRSZDFMKCRSHP-UHFFFAOYSA-N 318.417 3.046 0 40 DGAB CN(Cc1ccc(Cl)s1)S(=O)(=O)c1cccs1 8168300 QPKMZJVJVZIAKP-UHFFFAOYSA-N 307.849 3.284 0 40 DGAB COc1ccccc1NC(=O)Nc1n[nH]c(-c2ccccc2)n1 8488270 FSGLHDPNBSOZED-UHFFFAOYSA-N 309.329 3.124 0 40 DGAB COc1ccc(C(=O)OCc2ncc(-c3ccccc3)o2)cn1 8514694 MIRSRRLCNIBRKK-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB Cc1ccc(NC(=O)CSc2nc(C(C)(C)C)n[nH]2)cc1C 8709331 CZDXMKGYYWGSLS-UHFFFAOYSA-N 318.446 3.450 0 40 DGAB CC(=O)Nc1ccc(Cc2ccc3[nH]c(=O)cc(C)c3c2)cc1 8830775 LEUFIPGJGDJGLA-UHFFFAOYSA-N 306.365 3.386 0 40 DGAB in-vitro CN(C)c1ccc(CCC(=O)NCc2ccccc2F)cc1 9112287 GKEVWGFZAJVERF-UHFFFAOYSA-N 300.377 3.141 0 40 DGAB CCN1CCOc2ccc(NC(=O)c3ccccc3C)cc2C1=O 9170582 WIZRPQFWGDMEKG-UHFFFAOYSA-N 324.380 3.102 0 40 DGAB Cc1ccnc(NC(=O)c2cc(C3CC3)nc3onc(C)c23)c1 9338634 HWHMAGOENYQQFT-UHFFFAOYSA-N 308.341 3.364 0 40 DGAB COc1ccccc1CN1CCC(c2n[nH]c3ncccc23)CC1 12143423 NVMAEIGQDLZKIH-UHFFFAOYSA-N 322.412 3.346 0 40 DGAB CN(Cn1ncn(-c2ccccc2F)c1=S)C1CCCC1 12558106 MKPZISHDTJMDHP-UHFFFAOYSA-N 306.410 3.374 0 40 DGAB COc1ccc(C)cc1NC(=O)COc1ccc(F)c(F)c1 12928417 FVHZQQXOWIDWNY-UHFFFAOYSA-N 307.296 3.299 0 40 DGAB C[C@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 13790684 BMASQZDSDXXVSM-NSHDSACASA-N 300.383 3.463 0 40 DGAB CCn1c(=O)sc2cc(NC(=O)Cc3cccs3)ccc21 15865048 BIONDYBVFYWKPY-UHFFFAOYSA-N 318.423 3.326 0 40 DGAB COc1cc(CNC[C@H](C)O)ccc1OCc1cccc(C)c1 16349295 OHDUVFKSTDLHBU-HNNXBMFYSA-N 315.413 3.053 0 40 DGAB Cc1oc2c(c1C(=O)N(C)CCN1CCCCC1)CCCC2 19657142 GBSAREGGMQWCEO-UHFFFAOYSA-N 304.434 3.025 0 40 DGAB CCOCCOc1cccc(C(=O)Nc2cccc(N)c2C)c1 19736755 KLQUEVSHHZUJTP-UHFFFAOYSA-N 314.385 3.245 0 40 DGAB COc1ccc(NC(=O)c2ccc(Cl)c(N)c2)cc1OC 20193852 MDKNVXBSJPSQOW-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(Nc1ccccc1)[C@@H]1CCCN1C(=O)c1cccc(F)c1 20404122 IJEFMCMSFDTUKA-INIZCTEOSA-N 312.344 3.069 0 40 DGAB COC(=O)C1(NC(=O)/C=C/c2ccc(C)cc2C)CCCCC1 22503897 YEQZDJZYFPMCBU-MDZDMXLPSA-N 315.413 3.309 0 40 DGAB Cc1nc(C)c(C(=O)Nc2cccc(Cn3ccnc3)c2)s1 25178166 HCHXVGMBOMGDOI-UHFFFAOYSA-N 312.398 3.257 0 40 DGAB CC1CCC(N(C)C(=O)/C=C/c2ccc3c(c2)OCO3)CC1 25624696 QEHBCBJCTAMUBK-UXBLZVDNSA-N 301.386 3.466 0 40 DGAB Cc1nn(-c2ccc(F)cc2)c(C)c1C(=O)N[C@@H](C)C1CC1 25772000 GAWMPFYRSUUXLF-JTQLQIEISA-N 301.365 3.157 0 40 DGAB CN(C)[C@H](CNC(=O)/C=C/c1cccs1)c1ccsc1 25810583 VUHOMPZIMQOEPG-VBROQKIQSA-N 306.456 3.242 0 40 DGAB COC(=O)c1ccc(O[C@@H]2CCN(Cc3ccccc3)C2)cc1 26898416 KLSOLWNWIFFAGB-GOSISDBHSA-N 311.381 3.127 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N[C@H](C)[C@@H]3CCCO3)s2)o1 27902863 PTQKRUWEHRSHLZ-PWSUYJOCSA-N 320.414 3.317 0 40 DGAB CCCCN1C(=O)N[C@H](c2ccccc2)C(C(=O)OC)=C1C 32665951 KADMUWHSNQLUHO-OAHLLOKOSA-N 302.374 3.000 0 40 DGAB CCCOC(=O)c1ccc(NC(=O)c2cc(CCC)n[nH]2)cc1 32753591 CMLBNEDWJSZMSG-UHFFFAOYSA-N 315.373 3.181 0 40 DGAB O=C(c1ccccc1)N1CCCN(CC2CCCCC2)CC1 32770151 OHVRFOQGVLXRKO-UHFFFAOYSA-N 300.446 3.415 0 40 DGAB CC[C@](C)(NCc1ccccc1)c1nnnn1-c1ccccc1 35622453 QVUZFPQSGGBBNK-SFHVURJKSA-N 307.401 3.077 0 40 DGAB Cc1noc(CNC(=O)c2ccccc2Oc2ccccc2)n1 44454052 LWTSBGJOBGAKFC-UHFFFAOYSA-N 309.325 3.100 0 40 DGAB Cc1cc(NC(=O)NC[C@H](c2ccccc2Cl)N(C)C)no1 44889858 BKUHLLWOMPXTJJ-CYBMUJFWSA-N 322.796 3.061 0 40 DGAB Cc1csc(CCNC(=O)N(Cc2cccs2)C2CC2)n1 44970645 WRVWZDQTDIFOJE-UHFFFAOYSA-N 321.471 3.430 0 40 DGAB Cc1ccc(CNC(=O)c2cncc(Br)c2)s1 48073967 MYEIUEAOYVSINV-UHFFFAOYSA-N 311.204 3.144 0 40 DGAB COc1cccc(CCNC(=O)COc2ccc(Cl)cc2)c1 48298907 YXEJRQXGCXYVGM-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB COc1cccc([C@@H]2NC(=O)c3ccc(Cl)cc3N2)c1OC 48300658 MUWLMEDDNCCFDV-HNNXBMFYSA-N 318.760 3.211 0 40 DGAB Cc1nn(C)cc1[C@H]1CC(O)=Nc2c1cnn2Cc1ccccc1 49549030 RGLWGZLKYFGSMN-AWEZNQCLSA-N 321.384 3.097 0 40 DGAB CCCCS(=O)(=O)N1CC=C(c2c[nH]c3ccccc23)CC1 53645594 HZRMFFBZQVPODR-UHFFFAOYSA-N 318.442 3.387 0 40 DGAB Cc1cccc(-c2nc(=O)c3c4c(sc3[nH]2)CSCC4)n1 54753529 NZIJSFQXSVBHCY-UHFFFAOYSA-N 315.423 3.144 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)SCc1cc(C)on1 56232467 BPITXYKODWBYCX-LLVKDONJSA-N 306.387 3.252 0 40 DGAB O=C(Nc1cccnc1)N1CCO[C@@H](c2ccc(Cl)cc2)C1 56344226 KOPJRSHDHOARLM-OAHLLOKOSA-N 317.776 3.340 0 40 DGAB CCOc1ccccc1OC1CCN(C(=O)NCC2CC2)CC1 56596878 MLQHKVOOTDZIDR-UHFFFAOYSA-N 318.417 3.048 0 40 DGAB CSc1ccc(CNCCc2nnc3n2CCCCC3)cc1 58137958 VGUPVJXPUDVTNZ-UHFFFAOYSA-N 316.474 3.059 0 40 DGAB CCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2F)cc1 58227990 FNPPWUWDZKHQRA-UHFFFAOYSA-N 300.333 3.129 0 40 DGAB CCOC(=O)/C(=C/c1cccc(OC(C)C)c1)c1nccn1C 58305483 IBVGWFNPLITCSI-FOWTUZBSSA-N 314.385 3.311 0 40 DGAB O=C(Cc1noc2ccccc12)NCCc1cc(F)cc(F)c1 58327709 OAAGBEIYKGFASL-UHFFFAOYSA-N 316.307 3.007 0 40 DGAB CCOC(=O)[C@@H]1CCCCN1C(=O)c1cc(SC)ccc1C 60354495 LHZISDZOIVADON-HNNXBMFYSA-N 321.442 3.275 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C(=O)NC2CCCCCC2)CC1 61039376 VFXZLGDETRIFKJ-UHFFFAOYSA-N 324.465 3.473 0 40 DGAB c1csc(Cc2nnc(SCCc3ccncc3)o2)c1 66261553 DZMAFTAIKNSXMD-UHFFFAOYSA-N 303.412 3.452 0 40 DGAB Cc1ccc(NC2CCN([C@H](C)c3nnc(C)o3)CC2)cc1 69452051 DMBHWSXVPHMJBC-CYBMUJFWSA-N 300.406 3.324 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2ccc(-n3ccnc3)cc2)c1 69512741 BAKLJXSKFJDHHC-JKSUJKDBSA-N 309.417 3.117 0 40 DGAB Cc1ccoc1C(=O)Nc1ncccc1OCc1ccncc1 69517623 UPRDORQHIYGPBM-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB O=C(NC[C@H](O)c1cccc2ccccc12)c1cccc(F)c1 70635935 WPDQCGBYMPWAIC-SFHVURJKSA-N 309.340 3.442 0 40 DGAB CCCCN1CCC[C@H]1c1cnc(N2CCOCC2)cc1C 72219406 GEVJWNIUWFIIGQ-KRWDZBQOSA-N 303.450 3.164 0 40 DGAB COCCS(=O)(=O)N[C@@H](c1ccc(C(C)C)cc1)C(C)C 72230426 BJTNNXBGNNPBBX-MRXNPFEDSA-N 313.463 3.073 0 40 DGAB O=C(c1cncs1)N1CC[C@H](Cc2cccc3ncccc23)C1 72367665 NUSOCQIDBKVATF-CYBMUJFWSA-N 323.421 3.396 0 40 DGAB C[C@H](CC(=O)N(C)Cc1ccncc1)C(=O)c1cccc(F)c1 72847140 BQOPZZCKFPBHMC-CYBMUJFWSA-N 314.360 3.088 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76958385 BGWAFWJKUGAQAW-QWHCGFSZSA-N 322.405 3.022 0 40 DGAB CCc1noc(COc2cccc(NC(=O)c3ccccc3)c2)n1 77911246 KXQQPKSEPIWFBD-UHFFFAOYSA-N 323.352 3.463 0 40 DGAB CC(=O)Nc1ccc(CN[C@H]2CCN(c3ccccc3)C2)cc1 78604217 SANWWNRQVACDHZ-SFHVURJKSA-N 309.413 3.014 0 40 DGAB C[C@H]1CN(Cc2ccc(CNC3CCCC3)cc2)C[C@@H](C)O1 78616588 XNKGQYTYHFAYCZ-IYBDPMFKSA-N 302.462 3.328 0 40 DGAB C[C@H](c1cccs1)N(C)Cc1ccc(NS(C)(=O)=O)cc1 78921925 FGKBGOFUNLEJEC-GFCCVEGCSA-N 324.471 3.313 0 40 DGAB CC(C)OCc1ccc(CNC(=O)[C@H]2CC23CCOCC3)cc1 79014285 MPKGPEVAXVODPL-QGZVFWFLSA-N 317.429 3.045 0 40 DGAB CCN(CC(C)(C)O)C(=O)Nc1cc(F)c(F)cc1Cl 83576155 ZTEPUWASFSCUDA-UHFFFAOYSA-N 306.740 3.243 0 40 DGAB O=C(Nc1c(F)cccc1Br)[C@H]1C[C@H]2CC[C@@H]1O2 84246133 ODSMHPPIJZZFOH-FYBVGQRMSA-N 314.154 3.094 0 40 DGAB O=C(c1ccc2nncn2c1)N(C1CC1)[C@H]1CCc2ccccc21 84581872 FZKFAXAYXIITOG-KRWDZBQOSA-N 318.380 3.021 0 40 DGAB COC(=O)[C@H]1CCN(C(=O)CCC(F)(F)F)c2ccccc21 89228739 JDHHTZIZJDEIOP-NSHDSACASA-N 315.291 3.022 0 40 DGAB Cc1noc(C)c1[C@H](C)NS(=O)(=O)C[C@@H](C)c1ccccc1 89526379 FGUNZDJOTKICHF-YPMHNXCESA-N 322.430 3.076 0 40 DGAB Cc1cc(S(=O)(=O)N(C)[C@@H](C)c2cccnc2)sc1C 91039915 CLSNFGJATXYYFX-NSHDSACASA-N 310.444 3.142 0 40 DGAB CC(C)n1ccc(CCNC(=O)N2[C@H]3CCCC[C@@H]3C[C@H]2C)n1 95411343 AMTLTMJKTNMVGK-INMHGKMJSA-N 318.465 3.369 0 40 DGAB C[C@H](NC[C@@](C)(O)c1ccco1)c1cccc(OC(F)F)c1 95423307 YUSBSWRTCZQGOW-MEDUHNTESA-N 311.328 3.439 0 40 DGAB O=C(Nc1ccc(O)c(C(F)(F)F)c1)[C@H](O)c1ccccc1 95448030 SPVWXSBZADFSJC-CYBMUJFWSA-N 311.259 3.083 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C(=O)OC(C)(C)C)C2)c(C)o1 95944413 VJVZBJIATONBKF-ZDUSSCGKSA-N 307.390 3.090 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N1CCC2(CCCCC2)CC1 95959467 ZEPFTCWXSMIZAD-UHFFFAOYSA-N 324.428 3.454 0 40 DGAB c1cc(-c2ncnc3c2CCN(Cc2ccsc2)CC3)ccn1 96255228 NXELUQNINKYGJI-UHFFFAOYSA-N 322.437 3.201 0 40 DGAB CCc1ccccc1CNC(=O)Nc1cccc([S@@](C)=O)c1 96420227 RCMDUFPSLOIVNO-QFIPXVFZSA-N 316.426 3.308 0 40 DGAB COc1cccc(C(N)=O)c1OCc1cc(C)nc2ccccc12 96428818 LVOYEWHMRRMXOO-UHFFFAOYSA-N 322.364 3.230 0 40 DGAB Cc1cnn(CCC(=O)Nc2cccc(Oc3ccccn3)c2)c1 96433213 VMVMYQFOIRMXNG-UHFFFAOYSA-N 322.368 3.408 0 40 DGAB CC(C)[C@@H]1CN(C(=O)COCC(F)(F)F)c2ccccc2N1 96449924 KJTBXKIUJIIXCY-LBPRGKRZSA-N 316.323 3.049 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cn2)sc2nnc(C(C)C)n12 96579997 JWGRRXCDANZGPU-UHFFFAOYSA-N 319.365 3.009 0 40 DGAB COC[C@H](C)C(=O)N1CC[C@H](c2cccc(C(F)(F)F)c2)C1 97086531 STRWWHJOAFKFDI-AAEUAGOBSA-N 315.335 3.304 0 40 DGAB C[C@@H](Cn1cncn1)NCc1cc(C(F)(F)F)ccc1Cl 97229639 CERGTWYZWREERT-VIFPVBQESA-N 318.730 3.129 0 40 DGAB CO[C@](C)(C(=O)Nc1ccn(-c2ccccc2)n1)c1ccccc1 106607290 RKMSFDJAMGTHOU-IBGZPJMESA-N 321.380 3.373 0 40 DGAB O=C(O[C@H]1C[C@H]2CC[C@H]1C2)c1ccc(CN2CCCC2=O)cc1 107309792 YHOIUWMUFGXBSD-XIRDDKMYSA-N 313.397 3.154 0 40 DGAB O=C(CSCc1ccc(Cl)cc1F)NC[C@@H]1CCCO1 187960994 ISOJOQGRMWVWFS-LBPRGKRZSA-N 317.813 3.008 0 40 DGAB COC(=O)[C@H](NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)C(C)(C)C 195530456 ZBKHHAXHTHALAJ-MXWKQRLJSA-N 323.355 3.059 0 40 DGAB O=C(/C=C/c1ccsc1)NCC[C@@H](CCO)c1ccccc1 206626470 DWBXNPPYNZUSIL-LXXRFIIISA-N 315.438 3.434 0 40 DGAB Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2C(C)C)c(C)[nH]1 222816192 MGKPFBPHZMVSNC-JKSUJKDBSA-N 314.458 3.407 0 40 DGAB COc1ccccc1O[C@H](Cc1cc(C)cc(C)c1)C(=O)O 225037108 AZYCQCANUUSHJI-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB CC(C)CO[C@@H](Cc1ccc(Br)cc1)C(=O)O 225067220 FTCUBBKXHMOJSM-LBPRGKRZSA-N 301.180 3.117 0 40 DGAB CC(C)CO[C@H](Cc1ccc(Br)cc1)C(=O)O 225067262 FTCUBBKXHMOJSM-GFCCVEGCSA-N 301.180 3.117 0 40 DGAB COC(=O)c1cccc(NC(=S)NCc2cccc(F)c2)c1 225837156 DSODJLQVTSYKGU-UHFFFAOYSA-N 318.373 3.099 0 40 DGAB O=C(c1ccc2c(c1)CCCC2)N1CCC[C@@H]1c1ccncn1 257326358 WWYINUYRWSLCFF-GOSISDBHSA-N 307.397 3.333 0 40 DGAB COc1cccc(C(=S)NCc2cccc(C)c2)c1OC 408576227 WEVOXQGINMGWNQ-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB CCn1cc(C(=O)NC2CCCCC2)c(=O)c2cc(C)ccc21 408713201 NWDBEQZXGKKXPD-UHFFFAOYSA-N 312.413 3.392 0 40 DGAB COC(=O)c1cn(Cc2ccc(Cl)cc2)nc1C(F)(F)F 408717822 WAKJLZLSFIERLJ-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB O=C1N/C(=C/C=C/c2ccco2)C(=O)N1Cc1ccccc1F 409101208 AKUKBSATJRUJGP-AYRRQIOMSA-N 312.300 3.068 0 40 DGAB CC(C)CO[C@@H](C)c1nc(-c2ccc(OC(F)F)cn2)no1 562557326 OVWIZMWLWUKAEJ-VIFPVBQESA-N 313.304 3.467 0 40 DGAB COC1C[C@@H]2CC[C@H](C1)N2C(=O)CCc1ccc(F)c(C)c1 585319545 FJHBHZBJMNGGOB-XYPWUTKMSA-N 305.393 3.235 0 40 DGAB CC(C)c1oncc1NC(=O)c1ccnc(OC2CCC2)c1 1514581071 NTWJCGGBBRVROV-UHFFFAOYSA-N 301.346 3.377 0 40 DGAB C[Si](C)(C)CCOCn1cnc(-c2ccc(O)c(F)c2)n1 1776011311 FTNDJRJGEBZJSZ-UHFFFAOYSA-N 309.417 3.102 0 40 DGAB OC(c1cccs1)(c1cccs1)[C@@H]1CN2CCC1CC2 38074 CTYCSOSPTSAGHP-CYBMUJFWSA-N 305.468 3.387 0 40 DGAB in-vitro Cc1ccccc1C(=O)Nc1sc2c(c1C(N)=O)CCCC2 127333 GLMUPSMDHQHUED-UHFFFAOYSA-N 314.410 3.287 0 40 DGAB CCOC(=O)[C@H](CC)Sc1nnc(-c2ccc(C)cc2)n1C 421417 AVSZNVXAHVJSFC-ZDUSSCGKSA-N 319.430 3.224 0 40 DGAB COc1ccccc1Cn1c(SC)nc2ccccc2c1=O 424976 XFUOSNFIWSIANL-UHFFFAOYSA-N 312.394 3.175 0 40 DGAB COC(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 483881 UDFZZASFIOOEDI-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB COc1ccccc1NC(=O)COC(=O)c1ccccc1Cl 1960547 PLPNWAVMNVPPST-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(C)NC(=O)/C(=C/c1cccs1)NC(=O)c1ccccc1 3055396 PLUFOQJGYVACNU-PTNGSMBKSA-N 314.410 3.044 0 40 DGAB O=C(COC(=O)c1cccc(Cl)c1)Nc1cccc(F)c1 3385468 DCHKKDQVWBVHDA-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB C[C@@H](NC(=O)CN(C)Cc1cccc(F)c1)c1ccccc1 3456926 DNLVOUBODJOICI-CQSZACIVSA-N 300.377 3.135 0 40 DGAB Cc1cc2cc(CNC(=O)Cc3ccc(F)cc3)ccc2n1C 4061559 VOLBHGOORXYXLE-UHFFFAOYSA-N 310.372 3.485 0 40 DGAB O=C(O)c1ccc(CNC(=O)C23CC4CC(CC(C4)C2)C3)cc1 4207376 MWRRKIOCVXHVSL-UHFFFAOYSA-N 313.397 3.217 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)N2c3ccccc3C[C@H]2C)cc1 4349970 TXJLFKUYEVZDSL-CYBMUJFWSA-N 324.380 3.002 0 40 DGAB COC(=O)c1ccccc1OC(=O)COc1ccc(Cl)cc1 4659272 BRDBKDQPZIMZSU-UHFFFAOYSA-N 320.728 3.111 0 40 DGAB CN(C)S(=O)(=O)c1ccc(-c2nc3ccccc3s2)cc1 4749205 WYXQHXTWWYQIPL-UHFFFAOYSA-N 318.423 3.214 0 40 DGAB Cc1nc2ccc(NC(=O)CC(C)(C)CC(=O)O)cc2nc1C 4788834 QYUGBMLFOORWSX-UHFFFAOYSA-N 315.373 3.076 0 40 DGAB COc1ccccc1CN(C)S(=O)(=O)c1cc(C)ccc1C 5120192 AJAAARMOIPYFST-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB COc1ccc2[nH]c(=O)c(COC(=O)c3ccccc3C)cc2c1 5163888 CLQOPHKGSBZITE-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1sccc1C 5973778 VCFQXOHGYQHUKM-UHFFFAOYSA-N 303.383 3.414 0 40 DGAB Cc1ccc(CN(C)[C@@H](C)C(=O)N2CCc3ccccc32)cc1 7421337 CVJKUVARDQTFQA-INIZCTEOSA-N 308.425 3.405 0 40 DGAB O=C(CCc1nc(-c2ccccc2)no1)Nc1cccc(F)c1 7940307 IRRLXYDHQQMGBZ-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CN(C)CCN(Cc1ccccc1)C(=O)Nc1ccccc1F 7982589 ZCGHUNPTPRYNGB-UHFFFAOYSA-N 315.392 3.421 0 40 DGAB O=C(CSc1nnc(-c2cccs2)o1)Oc1ccccc1 8587364 UUPZWAISLBJDGM-UHFFFAOYSA-N 318.379 3.496 0 40 DGAB CCc1cc(C(=O)NCc2ccc3c(c2)OCO3)sc1C 8986021 JWXJDLHPVSLTFC-UHFFFAOYSA-N 303.383 3.278 0 40 DGAB CC(C)c1cccc(NC(=O)Cc2n[nH]c(=O)c3ccccc23)c1 9835596 JGXZQCBAJKWOHH-UHFFFAOYSA-N 321.380 3.228 0 40 DGAB CCOC(=O)c1ccc(C)c(NC(=O)c2cccc(OC)c2)c1 10444049 PPYIXIZVSSUOIK-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB NC(=O)c1cc(Cl)ccc1OCc1nc2ccccc2o1 11115077 QWYCYFAFDYYCQF-UHFFFAOYSA-N 302.717 3.159 0 40 DGAB C[C@@H](Sc1nccn1C1CC1)C(=O)Nc1ccc(F)cc1 11893279 MYGJDQRKQLRDNZ-SNVBAGLBSA-N 305.378 3.476 0 40 DGAB Cc1cnc(-c2nc(NC(C)C)ncc2-c2onc(C)c2C)cn1 12156298 UGSCKZKKYCMPLU-UHFFFAOYSA-N 324.388 3.334 0 40 DGAB Cc1cc(C)c(OC[C@H](O)CN2C[C@@H](C)C[C@H](C)C2)c(C)c1 12169972 KNQHFBWODOQHRM-RLFYNMQTSA-N 305.462 3.329 0 40 DGAB Cc1cc(Cl)ccc1OC[C@H](O)CN1C[C@@H](C)C[C@H](C)C1 12170399 CGTWDODYBVWANC-HEHGZKQESA-N 311.853 3.366 0 40 DGAB O=C(COc1ccccc1)NCc1cc(-c2cccs2)on1 12235810 DCZXPKURHSSTER-UHFFFAOYSA-N 314.366 3.098 0 40 DGAB Cn1ncc2c(Nc3ccc(-c4nccs4)cc3)ncnc21 12565492 SPGAGOPLTBHRLH-UHFFFAOYSA-N 308.370 3.230 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1ccccc1OCc1ccccc1 12904663 MHJSJSZZGMIBMU-INIZCTEOSA-N 311.381 3.174 0 40 DGAB O=P(O)(O)[C@@H](NCc1cccc(Cl)c1)c1ccsc1 12997467 VBDSMMPJIRLTBM-GFCCVEGCSA-N 317.734 3.368 0 40 DGAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(noc2C)C[C@@]1(C)O 13146833 GIWADHSGRXSAST-GVDBMIGSSA-N 319.788 3.281 0 40 DGAB COc1ccccc1-c1noc([C@@H](C)NC(=O)c2ccccc2)n1 13495174 SWCJGCYVIGNRLC-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB COC[C@H](C)NC(=O)c1cc2c(s1)-c1ccccc1CC2 14201236 BMOGCLKWVMHTHN-NSHDSACASA-N 301.411 3.278 0 40 DGAB CCOc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1 14229387 MVXQFTXWDHGVGM-CQSZACIVSA-N 319.426 3.266 0 40 DGAB CCc1cc2c(=O)n(-c3cc(C)ccc3O)c(S)nc2s1 17054715 QTBVTDCGKFSLSA-UHFFFAOYSA-N 318.423 3.312 0 40 DGAB COCCCNC(=O)c1cc2c(s1)-c1ccccc1CC2 17171405 WUMSXITZEFELRT-UHFFFAOYSA-N 301.411 3.280 0 40 DGAB Cn1nc([C@H]2CCCN(Cc3ccccc3)C2)c2cccnc21 19289496 NUWDEPBFYINOHI-INIZCTEOSA-N 306.413 3.348 0 40 DGAB Cc1ccc(NC2=NCC(=O)N2Cc2ccc(F)cc2)cc1C 20143123 KDRNAXOZEHRRBF-UHFFFAOYSA-N 311.360 3.253 0 40 DGAB CCOC(=O)c1nn(-c2ccc(Cl)cc2Cl)cc1C=O 20272292 IBPSWCORQDLJJG-UHFFFAOYSA-N 313.140 3.168 0 40 DGAB C[C@@H](NC(=O)c1ccccc1)C(=O)Nc1ccccc1Cl 20399028 LBYVVKOKQWXDFB-LLVKDONJSA-N 302.761 3.097 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1sccc1C)c1cccs1 22502366 IOLQPGHIKMQZQT-SNVBAGLBSA-N 309.412 3.152 0 40 DGAB C[C@@H]1CCCCN1C(=O)CCc1nc(-c2ccsc2)no1 23191964 XAWNWLNBOYVUDS-LLVKDONJSA-N 305.403 3.132 0 40 DGAB CCCCCC(=O)N1CCN(C/C=C/c2ccccc2)CC1 23379455 WQPVHDHJQNNMBW-DHZHZOJOSA-N 300.446 3.424 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)Cc2ccsc2)c1 23686290 HHBCNCDPNVJCNK-UHFFFAOYSA-N 316.426 3.411 0 40 DGAB CCCn1nccc1C(=O)Nc1ccc(OC(F)(F)F)cc1 28222411 KFXKYIGWBUHKPV-UHFFFAOYSA-N 313.279 3.444 0 40 DGAB C[C@H](NC(=O)c1cccnc1S)c1ccc(-n2ccnc2)cc1 29326853 WWDKAFXTZFUGRJ-LBPRGKRZSA-N 324.409 3.047 0 40 DGAB COc1ccc([C@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1 31819502 RZTKICMTJOHSGS-MRXNPFEDSA-N 319.364 3.355 0 40 DGAB CC(=O)N1N=C(c2nc3ccccc3n2C)C[C@H]1c1ccc(C)o1 32935070 QMPAOSKERSPUDC-INIZCTEOSA-N 322.368 3.172 0 40 DGAB Clc1cccc(N2CCN(c3ccc(Cl)nn3)CC2)c1 34475079 GSXDEMFQZHOKLD-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCCCC1)C2 35075021 QHYMIDXILVIDSE-IMBTUZDBSA-N 309.494 3.455 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)c2cc(C)c(CC)s2)C1 35161066 LIBLDQVCYZMRAB-LBPRGKRZSA-N 309.431 3.034 0 40 DGAB COC(=O)c1cc(Br)ccc1CN1CCCCC1 39951715 YPRYOGZQZYFBJR-UHFFFAOYSA-N 312.207 3.222 0 40 DGAB CCN(CC)c1cccc(OCc2n[nH]c(-c3ccncc3)n2)c1 40169615 XJPMHIKTZLMVIE-UHFFFAOYSA-N 323.400 3.292 0 40 DGAB CCNc1nnc(SC[C@H](O)c2ccc(Cl)cc2)s1 42657130 DJAHTBUCVVRFGV-JTQLQIEISA-N 315.851 3.449 0 40 DGAB O=C(NCc1ccoc1)c1ccccc1SC[C@H]1CCCO1 45783707 JFQGVBVRMPSCHI-CQSZACIVSA-N 317.410 3.481 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC[C@H]1c1ccsc1 47165938 SVVLGZKDLQGFQA-AAEUAGOBSA-N 324.446 3.325 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)CCc2ccccc2)C1 47416252 PVDZAGUHQXXYCC-IAGOWNOFSA-N 302.462 3.103 0 40 DGAB CCOc1ccc(NC(=O)NCCNc2ccccn2)c(C)c1 48142813 WADSLSFEMWQNLS-UHFFFAOYSA-N 314.389 3.022 0 40 DGAB CCCc1cc(C(=O)N[C@H]2CCN3CCCC[C@H]23)sc1C 48251760 FZNZEKQGZKWWJS-LSDHHAIUSA-N 306.475 3.366 0 40 DGAB Cc1ccc(-n2nnc(C(=O)NCc3ccccc3)c2C)cc1C 51318211 HKYKOLQIRUSVQO-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB O=C(CCc1ccccc1O)NCc1ncc(-c2ccccc2)[nH]1 51412002 LDEDNBRMRCSHCX-UHFFFAOYSA-N 321.380 3.031 0 40 DGAB C[C@@H](c1cccc(Cl)c1)N(C)c1ncnc2c1cnn2C 52472049 LLTHTWIPMFAXGY-JTQLQIEISA-N 301.781 3.214 0 40 DGAB CC(C)COC1CCN(Cc2nc(O)c3sccc3n2)CC1 54322184 OFUASVKSOAYUGI-UHFFFAOYSA-N 321.446 3.034 0 40 DGAB COc1cc(CCC(=O)NC(C)C)ccc1OCC(F)(F)F 58179968 VTTNBYOTCMCUJF-UHFFFAOYSA-N 319.323 3.094 0 40 DGAB CCc1ccc(CNC(=O)Nc2cccc(C(=O)OC)c2)s1 58217974 JVUNBTKNICDJRJ-UHFFFAOYSA-N 318.398 3.419 0 40 DGAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)[C@@H]1CC=CCC1 58218033 JCEHYCYRRQPNNA-RISCZKNCSA-N 313.319 3.211 0 40 DGAB COc1ccccc1-c1cc(NC(=O)CCOCC(C)C)[nH]n1 58229997 ZIBUQVCSUBVNSZ-UHFFFAOYSA-N 317.389 3.087 0 40 DGAB Cc1cc2n(n1)C[C@@H](CN[C@@H]1CCSc3ccccc31)CN2 58304962 DCJCYBHPVQBMKW-DZGCQCFKSA-N 314.458 3.060 0 40 DGAB Cc1ccc(NS(=O)(=O)c2cc(C)ccc2C)c(C(=O)O)c1 58357069 FYOHKJUEAHCUOT-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1noc([C@H](C)Sc2nnc(Cc3cccs3)o2)n1 66261506 YQKNUUXOCCGTRA-ZETCQYMHSA-N 308.388 3.267 0 40 DGAB O=C(O)c1nn(-c2ccc(Br)cc2)c2ccccc12 66354375 SJSWGEBZCIMQKT-UHFFFAOYSA-N 317.142 3.486 0 40 DGAB CCCC(=O)N1CCC[C@H](C(=O)Nc2cc(Cl)ccc2O)C1 67145487 DAXVNUXCMZNQDF-NSHDSACASA-N 324.808 3.023 0 40 DGAB C[C@H](OC[C@@H]1CCCO1)C(=O)N[C@H](C)c1cc2ccccc2o1 69415451 MBFHKIJBFWTPHO-IPYPFGDCSA-N 317.385 3.194 0 40 DGAB CCc1noc(CN2CCC(OC3CCC(C)CC3)CC2)n1 69873850 QRKAHAJANVVLEX-UHFFFAOYSA-N 307.438 3.192 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2ccc(F)cc2Cl)c1 69951673 ZEWDQWAZAHDYDA-ZDUSSCGKSA-N 321.783 3.289 0 40 DGAB CCCCS(=O)(=O)N[C@H](C)c1cccc(C(F)(F)F)c1 72019009 DVYRKHZOUHPNOM-SNVBAGLBSA-N 309.353 3.486 0 40 DGAB CC(=O)N1CCC(Cc2ccnc(Nc3cccc(C)n3)c2)CC1 72361766 KXNLTZUGSTZBKQ-UHFFFAOYSA-N 324.428 3.330 0 40 DGAB Cc1ccc(-c2cccc(C[C@]3(C(=O)N(C)C)CCNC3)c2)cc1 72391914 GXTOPPWIKKEQSO-OAQYLSRUSA-N 322.452 3.272 0 40 DGAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1cccc(-n2cccn2)c1 73204931 LTXLBMIFNUTPAQ-LBPRGKRZSA-N 322.368 3.229 0 40 DGAB CCCCS[C@H](C)C(=O)Nc1cccc(C[S@@](C)=O)c1 79360801 YDZMVFRMDBVBJH-ODXCJYRJSA-N 313.488 3.425 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](Nc2ncnc3ccccc23)C1 79387626 FYMPGBPHCBIAAO-GFCCVEGCSA-N 314.389 3.051 0 40 DGAB CN(C)CCOc1ccc(NC(=O)c2cccc3[nH]ccc23)cc1 79725768 GQMSOLRGHYCAQR-UHFFFAOYSA-N 323.396 3.361 0 40 DGAB CCN(CC)C[C@H]1CCN(C(=O)c2cccc3cccnc23)C1 81331038 HVUXAWCJUIAAHQ-OAHLLOKOSA-N 311.429 3.039 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Oc2ccc3nc[nH]c3c2)CC1 89195163 PMRZPXZIRWTDAE-UHFFFAOYSA-N 317.389 3.341 0 40 DGAB O=C(CCCn1cccc1)N1CCc2c([nH]c3ccccc23)C1 89363727 KUQJPPSRJSAXGK-UHFFFAOYSA-N 307.397 3.335 0 40 DGAB biogenic Cc1ccc(NC(=O)CN2CCCC[C@H]2c2ncc[nH]2)cc1C 89643215 NJVGUGRNMYAEDD-INIZCTEOSA-N 312.417 3.192 0 40 DGAB COCc1ccccc1C(=O)N[C@H](C)CC(=O)c1ccccc1 89894666 ZOELDQQYXBXKIP-CQSZACIVSA-N 311.381 3.224 0 40 DGAB COC1(CNC2CCC(c3ccccc3)CC2)CCOCC1 90651835 XRWPGVSYCLMBLX-UHFFFAOYSA-N 303.446 3.498 0 40 DGAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2nccnc2c1 95348950 GBOFQAYBOIPXIG-NWDGAFQWSA-N 323.318 3.481 0 40 DGAB COc1cc(OC)cc([C@H](O)CN[C@@H]2CCc3ccccc32)c1 95422663 QBKSLCXODDZQMT-RTBURBONSA-N 313.397 3.014 0 40 DGAB NC(=O)c1csc(CNCc2cc3c(s2)CCCCC3)c1 95427529 SFPSKXAMFFKHCY-UHFFFAOYSA-N 320.483 3.467 0 40 DGAB CN1CCCN(c2cc(C(F)(F)F)nc3ccccc23)CC1 95947457 HUDLAYFGGVOKBI-UHFFFAOYSA-N 309.335 3.396 0 40 DGAB O=C(O[C@@H]1CCC[C@H]1n1cccn1)[C@H]1C[C@@H]1c1cccc(F)c1 95947928 STRUGYIMLZEVCD-YYIAUSFCSA-N 314.360 3.463 0 40 DGAB COc1cc(C)cc2c1OCC[C@@H]2NC1C[C@@H](C)O[C@H](C)C1 95983752 ZRISKEDNSVQOIW-IOASZLSFSA-N 305.418 3.373 0 40 DGAB O=C(c1cccs1)N1CCN(CC2CC2)c2ncccc2C1 96060982 WOYSNTQGUFFLLE-UHFFFAOYSA-N 313.426 3.016 0 40 DGAB CCCCOc1ccc(C)cc1S(=O)(=O)Nc1ccncc1 96305729 CUVZXZPFDPPBGT-UHFFFAOYSA-N 320.414 3.370 0 40 DGAB O=C(NC1CCC(O)CC1)[C@H](OC1CCCC1)c1ccccc1 96403378 QJGQSYGKQBVFPV-LEOMRAHMSA-N 317.429 3.107 0 40 DGAB CCNC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2F)c[nH]1 97014527 TWYVVQAXHVBRPO-CQSZACIVSA-N 302.353 3.082 0 40 DGAB c1csc(-c2nnc(NCc3cccc4c3OCO4)o2)c1 97375481 QZCPJRXXLHPUFA-UHFFFAOYSA-N 301.327 3.139 0 40 DGAB O=C(c1ccc[nH]1)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccccc1 106638377 VFHOLZJMMSXFPZ-RBUKOAKNSA-N 323.440 3.284 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 108363592 RYOWLCNCKSFXIC-CVEARBPZSA-N 318.804 3.417 0 40 DGAB CN1CCC[C@H](C(=O)Nc2ccc(OC3CCCC3)cc2)C1 129212697 ADNWZGXHODXRNS-AWEZNQCLSA-N 302.418 3.288 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)OCc1ccccc1 166955925 SADGAXUGVQIJBT-ZNMIVQPWSA-N 303.358 3.041 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H]1CN2C(=O)OC(C)(C)C 169748330 ABGGQKOQAMWLHU-RYUDHWBXSA-N 312.410 3.005 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)C2CC2)cc1C(=O)N(C)C(C)C 193409837 ZJNFQZDJNWEJPR-ZDUSSCGKSA-N 302.418 3.460 0 40 DGAB C[C@](O)(CNC(=O)Nc1ccccc1Cl)Cc1ccco1 206622981 UBNJPCKHSRYTIG-OAHLLOKOSA-N 308.765 3.048 0 40 DGAB COc1ccc(C[C@H](Oc2cccc(C)c2)C(=O)O)c(OC)c1 225111703 LMJSDRFLGZSYLE-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)c2ccc3c(c2)CCCC3)C1 225633916 GZVDQDMFUHATQR-INIZCTEOSA-N 314.473 3.417 0 40 DGAB Cc1ccccc1NC(=O)NCCc1ccc([C@@H](C)O)s1 225690387 KIFSZNNWPACVRN-GFCCVEGCSA-N 304.415 3.474 0 40 DGAB Nc1nccc([C@H]2CCCCN2Cc2ccc3[nH]ccc3c2)n1 257251254 JPZVXKQCAKKTAO-QGZVFWFLSA-N 307.401 3.267 0 40 DGAB O=C(c1ccsc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257285656 PIDMPKUZUVAIJY-OAHLLOKOSA-N 309.394 3.342 0 40 DGAB CNc1cc(C)nc([C@H]2CCN(Cc3ccnn3C(C)C)C2)c1 257318505 VOFVLJMUDWPYRX-HNNXBMFYSA-N 313.449 3.199 0 40 DGAB CC(C)n1ccnc1[C@H]1CN(C(=O)C2CC2)Cc2ccccc21 306123213 AHIOIKZDCOYDRY-KRWDZBQOSA-N 309.413 3.348 0 40 DGAB O=C(Nc1cccnc1)N1CC2(CCOCC2)[C@@H]1c1ccccc1 333913637 FUTPKUALYNONTA-KRWDZBQOSA-N 323.396 3.467 0 40 DGAB O=C(c1cc2ccccn2c1)N1C[C@H](O)C[C@@H]1c1ccc(F)cc1 539916370 DNBJSJMKKWTEGU-QZTJIDSGSA-N 324.355 3.027 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)Nc1ccc2c(c1)OCO2 575619883 HEIFXVRHJRVSGL-UHFFFAOYSA-N 311.341 3.009 0 40 DGAB Cc1noc(C)c1C[C@@H](C)C(=O)Nc1nccc2ccncc12 585080363 ADZYCYCZBRKHLE-SNVBAGLBSA-N 310.357 3.052 0 40 DGAB Cc1cc(CNC(=O)N2CC3(CCC3)c3c(F)cccc32)on1 586873066 PXNPCZRIYAUYPO-UHFFFAOYSA-N 315.348 3.274 0 40 DGAB Nc1cc2cc(I)c(F)c(Cl)c2cn1 1857794568 AFDSMFWTJZLLTD-UHFFFAOYSA-N 322.508 3.214 0 40 DGAB Cc1nccc(N2[C@H]3CC[C@H]2CC(n2cc(Cl)cn2)C3)n1 1888842577 OLPCPTUIJXNRFG-STQMWFEESA-N 303.797 3.007 0 40 DGAB Clc1ccc([C@@H]2C[C@H](c3cccnc3)Nc3ncnn32)cc1 221843 ZWDSITQGTDZQNH-CABCVRRESA-N 311.776 3.473 0 40 DGAB COc1cccc2c1O[C@@]1(C)C[C@@H]2NC(=O)N1Cc1ccccc1 427460 GZJZKBOYJCADNT-KXBFYZLASA-N 324.380 3.460 0 40 DGAB Cc1cc(-n2nc(-c3ccccc3)cc2C(F)(F)F)nc(N)n1 1407785 RYPBEMLESUKFNU-UHFFFAOYSA-N 319.290 3.239 0 40 DGAB CCOc1nc(NN)nc(N(c2ccccc2)c2ccccc2)n1 1446026 SZRIYGKSGRJFHQ-UHFFFAOYSA-N 322.372 3.026 0 40 DGAB COc1ccc2ccc3c(c2c1)CC[C@H](C(=O)O)[C@@H]3CC(=O)O 1596015 TXKQSMYGJLDMBI-GOEBONIOSA-N 314.337 3.054 0 40 DGAB CCCCCOC(=O)c1ccc(NC(=O)CN(CC)CC)cc1 1671701 WHFRHUGBBSLREZ-UHFFFAOYSA-N 320.433 3.314 0 40 DGAB COc1ccc(-c2nc(SC)cc(N3CCCC3)n2)cc1 4387649 ATPRTSYQRFDZLF-UHFFFAOYSA-N 301.415 3.474 0 40 DGAB CC[C@H](C)N1C(=O)S/C(=C/c2ccc(OC)c(O)c2)C1=O 4551345 LNNBPMUBGBNZAL-ITTMYVLYSA-N 307.371 3.236 0 40 DGAB CCc1ccc2c(c1)CCCN2C(=O)[C@H]1CCCC[C@H]1C(=O)O 5471532 LFYMXNFTDYJBDH-JKSUJKDBSA-N 315.413 3.419 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)c2cccs2)c1 5635977 UOBCIGUGYZJYFE-NSHDSACASA-N 317.366 3.135 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)c1 5958463 RNCRZPMBDPMOMH-PBFPGSCMSA-N 303.402 3.209 0 40 DGAB COc1ccc(CSc2nnc3nc(C)cc(C)n23)cc1F 6172169 MCWMSAAASUQCKK-UHFFFAOYSA-N 318.377 3.181 0 40 DGAB CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(F)cc1 6314287 DULHYELCNCTUFB-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2cccc(Cl)c2)cc1 6377547 NVGXPCOALOYZIO-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB Cc1ccc(NCc2nnc(S)n2Cc2ccco2)c(C)c1 6533775 JXWUJCHBHSYWQG-UHFFFAOYSA-N 314.414 3.437 0 40 DGAB COc1ccc(CCC(=O)NCC2CCCCC2)cc1OC 6566615 URINIOOQRRZRMH-UHFFFAOYSA-N 305.418 3.333 0 40 DGAB CN(C)CCCNC(=O)c1ccccc1CCc1ccccc1 6759791 RFBNHTBRYWSPIM-UHFFFAOYSA-N 310.441 3.153 0 40 DGAB CCOc1ccc(C[C@@H]2SC(=O)N(CC)C2=O)cc1OCC 6952426 KLSJWZQUOCJRCX-AWEZNQCLSA-N 323.414 3.110 0 40 DGAB CCOc1cc(CNC[C@H](C)O)ccc1OCc1ccccc1 8254649 VXKIBGRSJQPSLO-HNNXBMFYSA-N 315.413 3.135 0 40 DGAB COC(=O)c1cc(-c2cccnc2)nc2onc(-c3ccco3)c12 8345981 XCTLGZOYNRWGQN-UHFFFAOYSA-N 321.292 3.331 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(C)c1C 8714824 OSJBXRZKWOETGO-FZMZJTMJSA-N 311.447 3.169 0 40 DGAB COc1ccccc1COc1cc(C(C)=O)ccc1NC(C)=O 8941486 JKMMBVDLHMZLTK-UHFFFAOYSA-N 313.353 3.435 0 40 DGAB C[C@H](Sc1ncnc2ccsc12)C(=O)NCc1ccco1 9478061 BPEHFYSHYGAYJY-VIFPVBQESA-N 319.411 3.081 0 40 DGAB Cc1ccc(C2(O)C[C@@H]3CC[C@H](C2)N3C(=O)c2ccncc2)cc1 12113136 HYZBRZXTEMRMHC-UFRUDQCGSA-N 322.408 3.045 0 40 DGAB COc1ccc(-c2nc3cnccn3c2NC2CCCC2)cc1O 12113208 YWJPBTLKTRBOBW-UHFFFAOYSA-N 324.384 3.465 0 40 DGAB C[C@@H]1c2ccsc2CCN1Cc1ccc(OCCO)cc1 12241391 NFLIIOIQJIYSSV-CYBMUJFWSA-N 303.427 3.239 0 40 DGAB Cc1csc(NC(=O)Cc2cc(-c3ccc(F)cc3)on2)n1 12864836 JDEDOSZNLUZVCN-UHFFFAOYSA-N 317.345 3.427 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)NC2CCCCC2)cc1 13004062 GSCYFOCPMZFUBN-UHFFFAOYSA-N 317.433 3.346 0 40 DGAB COc1ccccc1C(=O)OC[C@H]1CCCN2CCCC[C@@H]12 13424992 AXUGOKFRYJOWGL-ZBFHGGJFSA-N 303.402 3.117 0 40 DGAB biogenic NC(=O)[C@@H](Sc1nc2ccccc2o1)c1ccc(F)cc1 14071712 YVAIDZHXPXXQFG-ZDUSSCGKSA-N 302.330 3.286 0 40 DGAB O=C(CCNC(=O)c1ccco1)Nc1cccc2ccccc12 15576855 OLGRYDBBUJZRBO-UHFFFAOYSA-N 308.337 3.191 0 40 DGAB [O-][n+]1cc(/C=C\c2ccccc2)[n+]([O-])cc1/C=C\c1ccccc1 17139891 LAQQVFSUYZHARX-XSYHWHKQSA-N 316.360 3.294 0 40 DGAB C[C@H]1CN(c2nc(-c3ccccn3)cc3ncccc23)C[C@H](C)O1 19497615 KWWHUARTWMWXLZ-KBPBESRZSA-N 320.396 3.305 0 40 DGAB COc1ccc(OC)c(NC(=O)c2ccc(N)cc2Cl)c1 20220986 HVRJOAZBWCFUEG-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(/C=C/c1ccc(F)cc1)Nc1ccc(N2CCCC2)nc1 20403125 LOOLARGKCBRZGX-BJMVGYQFSA-N 311.360 3.473 0 40 DGAB C[C@H]1CCCN([C@@H](CN)c2ccccc2OC(F)(F)F)C1 21008945 FALFGAHFGMNHNS-AAEUAGOBSA-N 302.340 3.317 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@@H]1c1sccc1C 25310098 CFERVKHKYIFLRI-HNNXBMFYSA-N 302.399 3.269 0 40 DGAB COc1ccccc1C(=O)NCc1ccccc1CN1CCCC1 30555707 UGJZDIZCJIIQLX-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB COc1ccc(Nc2nc(C)nc3c(C)nn(C)c23)cc1Cl 32650482 SUFZZDZJYBQOCJ-UHFFFAOYSA-N 317.780 3.386 0 40 DGAB C[C@@H](CNC(=O)c1cc(F)cc(F)c1)N1CCc2ccccc21 33055805 FLMIXLZJBATTIP-LBPRGKRZSA-N 316.351 3.146 0 40 DGAB O=c1c2cc(F)ccc2ncn1[C@H]1CCc2ccccc2N=C1O 36360916 VAEACFCFVRAVDM-INIZCTEOSA-N 323.327 3.311 0 40 DGAB CCc1noc([C@@H](C)Sc2nc(-c3ccccc3)cn2N)n1 42650680 BLTQPMVNRICWDT-SNVBAGLBSA-N 315.402 3.063 0 40 DGAB Brc1cc(-c2ccccc2)ccc1OC1CNC1 42769578 PRPHGJIQEUMJEG-UHFFFAOYSA-N 304.187 3.467 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccccc2OC(F)(F)F)on1 43505383 GCHHAIAOASQCHG-UHFFFAOYSA-N 314.263 3.154 0 40 DGAB CC(C)c1noc([C@@H](C)N2CCN(c3ccccc3F)CC2)n1 44583730 AOELVJWYBKBEQH-CYBMUJFWSA-N 318.396 3.215 0 40 DGAB COc1cc(-c2ccccc2)sc1C(=O)NC[C@@H]1CCCO1 48169527 RILMFZDBWYZYIN-ZDUSSCGKSA-N 317.410 3.333 0 40 DGAB C[C@H]1C[C@@H](N2CCC(c3nc4ccccc4s3)CC2)C(=O)O1 48311407 NYEURLRQTZKZAG-SMDDNHRTSA-N 316.426 3.180 0 40 DGAB COc1ccc(-c2nc(N)cc(Nc3ccccc3)n2)cc1OC 49468133 HFBHORPQUHNODK-UHFFFAOYSA-N 322.368 3.487 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2sccc2C)c1 51356822 AJDHERXJJAQZOH-UHFFFAOYSA-N 303.383 3.185 0 40 DGAB CCCNC(=O)C1CCN(Cc2csc(C(C)C)n2)CC1 51402289 VTWYXJCQKVSGGO-UHFFFAOYSA-N 309.479 3.005 0 40 DGAB CN(CCNC(=O)CSCc1ccccc1)c1ccccc1 53207066 RRKLVTNDKLCKDT-UHFFFAOYSA-N 314.454 3.172 0 40 DGAB O=C(Nc1nccs1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 57197507 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WVVOGMRFGVTDLU-GOSISDBHSA-N 321.380 3.085 0 40 DGAB CN(C)C(=O)c1cccc(CCNc2ncccc2Cl)c1 88725748 AHUIYYXOYFEOBT-UHFFFAOYSA-N 303.793 3.091 0 40 DGAB CCc1cc(=O)n2nc(N(CC(C)C)CC(C)(C)C)sc2n1 89282733 MFXYQUXYKZYTRI-UHFFFAOYSA-N 322.478 3.222 0 40 DGAB O=C(CC1=CCCCC1)NCc1ccccc1N1CCOCC1 89813941 HRXBIYWATMKQQX-UHFFFAOYSA-N 314.429 3.030 0 40 DGAB Cc1nc(CN[C@@H](C)CC(=O)N(C)c2ccccc2)c(C)s1 90888729 DUNGKWXLHFSLPK-LBPRGKRZSA-N 317.458 3.291 0 40 DGAB CCc1onc(C)c1NS(=O)(=O)c1ccc(OC(C)C)cc1 91019272 CBMFZZYGNFLGKM-UHFFFAOYSA-N 324.402 3.133 0 40 DGAB CN(Cc1noc(-c2ccc(Cl)cc2)n1)C[C@@H]1CCCO1 95356572 IDVDIAYZACYPLO-ZDUSSCGKSA-N 307.781 3.001 0 40 DGAB C[C@H](C[C@H](O)c1ccc(F)cc1)NCc1cccc2cn[nH]c12 95448870 PARWPPNKMDJBLT-PXAZEXFGSA-N 313.376 3.304 0 40 DGAB CC(C)(C)OC(=O)NCc1ccc(C(F)(F)F)c(C(=O)O)c1 95643078 YQQBNEKPJXALKN-UHFFFAOYSA-N 319.279 3.428 0 40 DGAB CC(C)CN1C(=O)[C@@]2(CCN(Cc3ccco3)C2)c2ccccc21 96100292 BIXZCABVYXZFFJ-HXUWFJFHSA-N 324.424 3.426 0 40 DGAB O=C(NC(C1CC1)C1CC1)C1(c2cccc(F)c2)CCOCC1 96405846 AYAXNEZIFGQFQX-UHFFFAOYSA-N 317.404 3.179 0 40 DGAB CC[C@@H](NC(=O)NCc1cc(C)no1)c1ccc(F)cc1F 96415382 AOOHHLUFGXONKS-CQSZACIVSA-N 309.316 3.212 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CCC[C@H](CO)C1 96435324 GWGHYIMQRDXPLZ-HNNXBMFYSA-N 320.433 3.156 0 40 DGAB Cc1nn(-c2ccccc2)cc1CN(C[C@@H]1CCOC1)C1CC1 96489695 RWRFTZVITDZVRB-INIZCTEOSA-N 311.429 3.182 0 40 DGAB CCn1nc(C)c(CNc2nnc(-c3ccoc3C)o2)c1C 97114430 SWWPHZDPEXTKEJ-UHFFFAOYSA-N 301.350 3.083 0 40 DGAB Cc1nnc([C@@H]2CCCN2c2ccnc(Cc3ccccc3)n2)o1 97145385 KYXKNWBMXZUYPF-HNNXBMFYSA-N 321.384 3.100 0 40 DGAB CC(C)c1nccn1CC(=O)N1CCC[C@@H]1c1cccs1 97236138 BSEDGMMNNVUYSJ-CYBMUJFWSA-N 303.431 3.432 0 40 DGAB COc1ccccc1C(=O)/N=c1\sc2cccc(F)c2n1C 100909431 AOJLSAQRVBCTAR-VLGSPTGOSA-N 316.357 3.129 0 40 DGAB O=C1[C@@H]2[C@@H](C(=O)N1c1ccc(Cl)cc1F)[C@H]1C=C[C@H]2CC1 102183701 YFFKWMLFZOAUAJ-WBRVRECLSA-N 305.736 3.181 0 40 DGAB CC[S@@](=O)[C@@H]1CCC[C@H](N[C@H](C)Cc2ccc(F)cc2)C1 108358139 FAYLTKUUACFVBH-YFPSAGDSSA-N 311.466 3.426 0 40 DGAB O=S(=O)(Nc1cccc(-c2ncco2)c1)c1cccc(F)c1 132815205 GOCQHWGXYBKYGV-UHFFFAOYSA-N 318.329 3.282 0 40 DGAB Cc1noc(C)c1C(=O)N1CCS[C@@H](c2ccco2)CC1 219405781 GGFYKPVTECXJJT-CYBMUJFWSA-N 306.387 3.205 0 40 DGAB CCn1c(Cl)nc2cc(C(=O)NCc3ccccn3)ccc21 222541435 OVWCTUGDQNPYMZ-UHFFFAOYSA-N 314.776 3.035 0 40 DGAB COc1ccccc1CCCNC(=O)COc1ccc(C)cc1 222760087 QOHIXYDCMKMMRB-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccco1 222947847 WSKZMQDMDZTUKB-HUUCEWRRSA-N 301.415 3.447 0 40 DGAB O=C(Cc1cccnc1)NCc1cccnc1-c1ccsc1 225647499 GUYRHDNORFZAFO-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB COc1ccc([C@H]2CCCCN(S(=O)(=O)C(C)C)C2)cc1 225658973 XRVVNNKFWQKTMW-HNNXBMFYSA-N 311.447 3.003 0 40 DGAB CCC[C@](C)(OC)C(=O)Nc1ccc(OC)c(C(=O)OCC)c1 225796385 LNKIOVXXMVJFAW-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB CC(=O)Nc1cc(Br)ccc1-c1ccc(C(=O)O)o1 226351769 ZLZISCQTXNQQGK-UHFFFAOYSA-N 324.130 3.366 0 40 DGAB COC[C@@H]1CN(C)CC12CCN(Cc1cc(C)ccc1C)CC2 248121911 KNKRYNAXLYAPJO-IBGZPJMESA-N 316.489 3.094 0 40 DGAB O=C(NC1CC1)C(F)(F)Sc1cccc(Br)c1 256054073 UVSLUYRZIDURFL-UHFFFAOYSA-N 322.174 3.413 0 40 DGAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@H]2CCCN(C)C2)n1 257236002 HAKSHNVEUZPTND-ZDUSSCGKSA-N 317.462 3.411 0 40 DGAB CC(C)(C)OC(=O)N1CCC(Cc2nccnc2Cl)CC1 257340974 ZIIGCEVAZJKBMR-UHFFFAOYSA-N 311.813 3.320 0 40 DGAB O=C(Cc1ccsc1)N1CC[C@H](Oc2ccncc2Cl)C1 575605609 LOZZRWSVZCWEKZ-LBPRGKRZSA-N 322.817 3.019 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@@H](O)C[C@H]1c1cccc(F)c1 579623197 BWQIHPWTHJYRPZ-HOCLYGCPSA-N 315.344 3.244 0 40 DGAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@@H](c2cccnc2)C1 579721723 BQHNNCWRVNYTEY-GDBMZVCRSA-N 316.788 3.350 0 40 DGAB CC(C)Nc1cccc(F)c1NC(=O)[C@H](C)OC[C@H]1CCCO1 585127084 PPZLNPRSHIORFW-QWHCGFSZSA-N 324.396 3.169 0 40 DGAB O=C(NC[C@]1(O)CCCc2occc21)c1c(F)cccc1Cl 1565522465 QYJGMRDIJYNOHR-MRXNPFEDSA-N 323.751 3.026 0 40 DGAB Cc1cc(C(=O)NCCc2c[nH]c3ccccc23)nc(C2CC2)n1 1888913311 KIPZMXLXPDOZCD-UHFFFAOYSA-N 320.396 3.116 0 40 DGAB c1ccc2c(N3CCC(Oc4nccs4)CC3)ncnc2c1 2086889642 GOIUWHBCJIQOEU-UHFFFAOYSA-N 312.398 3.134 0 40 DGAB CC[C@H](C)C(=O)Nc1nnc(Cc2ccc(OC)cc2)s1 74138 CNDADSJHWDNNRP-JTQLQIEISA-N 305.403 3.122 0 40 DGAB Cc1nc(SCCC(=O)O)c2c3c(sc2n1)CCCC3 125800 PHKRTEJZBKASPW-UHFFFAOYSA-N 308.428 3.445 0 40 DGAB Cc1nc(N2CCCN(C)CC2)c2c3c(sc2n1)CCCC3 126604 GAYHBLCRYYGTID-UHFFFAOYSA-N 316.474 3.020 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)COc1ccc(C)cc1 364609 ZNKYADNYDQTGIT-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB COc1ccc(S(=O)(=O)N2CCC(C)CC2)c2ccccc12 380209 MMCVJCJQZHQGHN-UHFFFAOYSA-N 319.426 3.269 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3c(C)cccc23)cc1 487469 POTVFEUTMMAZCI-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB biogenic O=C(CSc1nnc([C@H]2CCCN2)o1)c1ccc(Cl)cc1 2329835 JSSYVYCZAYIYLB-LLVKDONJSA-N 323.805 3.123 0 40 DGAB CCCCCCC1=NN(C(=O)OCC)[C@@](O)(C(F)(F)F)C1 4551130 YNNYCZXAXMRRPR-LBPRGKRZSA-N 310.316 3.426 0 40 DGAB Cn1nnc2c(Nc3ccc(Oc4ccccc4)cc3)ncnc21 5381261 YEAWTBTXOKQXCX-UHFFFAOYSA-N 318.340 3.294 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)NCc1cccs1 5824110 HVFXMZRDGUPWRD-UHFFFAOYSA-N 311.410 3.481 0 40 DGAB O=C(CCSc1ccc(Cl)cc1)NCCCn1ccnc1 6188192 NRJSIVCDSOCLJC-UHFFFAOYSA-N 323.849 3.225 0 40 DGAB CCSc1nnc(NC(=O)c2ccc(F)cc2F)s1 6223928 CAJBCQUBHPAUDD-UHFFFAOYSA-N 301.343 3.181 0 40 DGAB C[C@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(Cl)cn1 6376941 JIZPHILUPZWRTL-JTQLQIEISA-N 310.781 3.186 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(Cl)cc2)cc1 7216928 GRKSXNUQUYPHKE-UHFFFAOYSA-N 309.818 3.469 0 40 DGAB CNC(=S)NC[C@H](c1cccs1)c1c[nH]c2ccccc12 7662576 GUZPVCVUYQZXCX-ZDUSSCGKSA-N 315.467 3.455 0 40 DGAB O=C(CN1CCSC1=O)Nc1ccc(Cl)c(Cl)c1 7943966 ZVBCORLAUFWVBB-UHFFFAOYSA-N 305.186 3.101 0 40 DGAB O=C(CCC(=O)c1ccccc1)Nc1nnc(-c2ccccc2)o1 9062139 YEPDBFFLVCTHNX-UHFFFAOYSA-N 321.336 3.338 0 40 DGAB O=C1COc2ccc(C(=O)Nc3cccc4ccccc34)cc2N1 9114437 GCIFSAUQDXIGKE-UHFFFAOYSA-N 318.332 3.423 0 40 DGAB C[C@H](NC(=O)[C@@H](C)N1CCc2sccc2C1)c1ccccc1 10094395 YXRHGFBUECMXDZ-UONOGXRCSA-N 314.454 3.372 0 40 DGAB O=C(COc1cccc2c1CCC2=O)Nc1cc(F)cc(F)c1 10198258 JZCRIUOINSDMET-UHFFFAOYSA-N 317.291 3.111 0 40 DGAB CCc1ccc(CCC(=O)N[C@H]2CCCc3c2cnn3C)cc1 12973572 UVYAAWGFGKMBOH-KRWDZBQOSA-N 311.429 3.109 0 40 DGAB COc1ccc(SCC(=O)Nc2ccc(C(=O)O)cc2)cc1 13259725 CIEDTYZSOBBRGY-UHFFFAOYSA-N 317.366 3.124 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)c1ccc(OC)cc1 13612614 JNYQBTWNQBNHGO-INIZCTEOSA-N 304.434 3.080 0 40 DGAB CN1C(=O)c2ccccc2N[C@H]1c1cnn(-c2ccccc2)c1 15250791 VUCVLDOWFQHVIS-QGZVFWFLSA-N 304.353 3.069 0 40 DGAB C[C@H](NC(=O)c1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 18208304 NHSXBQUJNKSHTR-LBPRGKRZSA-N 318.417 3.240 0 40 DGAB Cn1ccc([C@@H]2CCCCCN2C(=O)Cc2cccs2)n1 19291018 CUISARCZTGOKCA-HNNXBMFYSA-N 303.431 3.168 0 40 DGAB CN1CC[C@@H]2[C@H]1CCCCN2C(=O)c1ccc2c(c1)CCCC2 19712355 ZJWDZGZLLYQNQR-RTBURBONSA-N 312.457 3.264 0 40 DGAB CCCCNC(=O)C1CCN(C(=O)c2ccc(Cl)cc2)CC1 20369069 GTNMIRWQSQGZBY-UHFFFAOYSA-N 322.836 3.109 0 40 DGAB COc1ccc(Cl)cc1C(=O)OCc1nnsc1Cl 22652410 CCAIUNCPVHVYGB-UHFFFAOYSA-N 319.169 3.211 0 40 DGAB CCC[C@H](C(=O)Nc1cccc(-n2cnnn2)c1)c1ccccc1 24016151 CCFAIXWPTOFUOQ-KRWDZBQOSA-N 321.384 3.185 0 40 DGAB C[C@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 24993404 NJYZGXNJBWUDRP-ZDUSSCGKSA-N 323.396 3.324 0 40 DGAB NC(=O)c1cccc(C(=O)NC2CCC(c3ccccc3)CC2)c1 25647422 XPUABPDUQQOFTR-UHFFFAOYSA-N 322.408 3.242 0 40 DGAB C[C@H]1CN(C(=O)/C=C/c2ccc(Br)cc2)C[C@H](C)O1 26990083 MJGKQPHAPBYJGD-LHXDFBSTSA-N 324.218 3.098 0 40 DGAB C[C@H](NC(=O)C(c1ccccc1)c1ccccc1)c1cnn(C)c1 27919581 GAYUXPQXGAQQGV-HNNXBMFYSA-N 319.408 3.429 0 40 DGAB O=C(c1ccoc1)N1CCC[C@H]1c1ccc2c(c1)OCCCO2 29797805 MGEVAOKRFMMLMA-HNNXBMFYSA-N 313.353 3.418 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)[C@H](C)n1cnc2ccccc21 31812010 SLGPDRHBLPROMX-KGLIPLIRSA-N 323.396 3.483 0 40 DGAB CN(Cc1ccncc1)C(=O)COc1ccc2ccccc2c1 32906498 PHAWIWAIDGXPMV-UHFFFAOYSA-N 306.365 3.272 0 40 DGAB C[C@H](CNC(=O)Cc1ccccc1F)N(C)c1ccccc1 32931212 ANDBFBYRSOYKSR-CQSZACIVSA-N 300.377 3.009 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(c2cccc(F)c2)=NO1)c1ccccc1 40088032 DTYOGNSYCKPYTL-SJCJKPOMSA-N 312.344 3.196 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2ccc(F)c(C)c2)cc1 41091283 VALUVBLNMHBVRW-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)NCc1ccc(F)cc1 42646470 HFCMXAKWSLZEOC-UHFFFAOYSA-N 314.360 3.204 0 40 DGAB FC(F)(F)c1ccc2[nH]cc(I)c2n1 44700074 SNVZRTBAMGDOKD-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB in-vitro Cc1noc(C)c1CNc1cc(Cl)ccc1N1CCOCC1 52891699 ACQDQMXJEBOEOF-UHFFFAOYSA-N 321.808 3.394 0 40 DGAB Cc1ccc(CC(=O)N[C@H]2CCCOc3ccc(F)cc32)cn1 53364686 WHSURNJMHUNGNO-INIZCTEOSA-N 314.360 3.102 0 40 DGAB COc1cc([C@H]2NCc3ccccc3-n3cccc32)ccc1O 55211074 XUBFVVAGMSDJMD-LJQANCHMSA-N 306.365 3.384 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCC[C@@H]1Cc1ccccc1 55456537 QJBCHPKTNZQPGO-QGZVFWFLSA-N 312.413 3.458 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)c1cc2c(s1)CCC2 57222129 DJNXWSNJQKMSCL-UHFFFAOYSA-N 324.409 3.378 0 40 DGAB CC1CCN(C[C@H]2CCCN(C(=O)Nc3ccccn3)C2)CC1 58247467 TYWOXXDJBYLMAV-MRXNPFEDSA-N 316.449 3.057 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1cc(-c2cccnc2)on1 58911225 FOISWFKRWRBJND-UHFFFAOYSA-N 307.309 3.192 0 40 DGAB C[C@]1(c2ccc(Br)cc2)NC(=O)c2ccccc2N1 66132134 RLNYEGKEDRJIFL-OAHLLOKOSA-N 317.186 3.477 0 40 DGAB Cc1nn(-c2ncccc2Cl)c(C(F)(F)Cl)c1C(=O)O 68575515 BLUGZARONXQMDA-UHFFFAOYSA-N 322.098 3.215 0 40 DGAB in-vitro O=C(/C=C/c1ccc(F)cc1)NCc1ccc(-n2ccnc2)cc1 69390482 FNFUIKPEUZYIOX-BJMVGYQFSA-N 321.355 3.341 0 40 DGAB O=C(Nc1ccc(NC2CCOCC2)cc1)Nc1cccnc1 69431674 HQWCVQWUOCPVNA-UHFFFAOYSA-N 312.373 3.317 0 40 DGAB OCCN(Cc1ccsc1)Cc1ccc(F)c2cccnc12 69596425 YMCVUGTZPPVYLW-UHFFFAOYSA-N 316.401 3.430 0 40 DGAB CC[C@H](c1ccccc1)[C@@H]1CCCN1C(=O)c1csnn1 69658432 QPYUCMVNORAPPQ-HIFRSBDPSA-N 301.415 3.337 0 40 DGAB COc1ccc(-c2noc(-c3ccc(C)c(N)c3)n2)cc1OC 70458711 IDLSBDUOCKMEBR-UHFFFAOYSA-N 311.341 3.311 0 40 DGAB Cc1ccccc1[C@@H](NC(=O)Cc1c(C)nn(C)c1C)C(C)C 71899829 UTZYJBZLJPFLOC-IBGZPJMESA-N 313.445 3.401 0 40 DGAB CC(=O)Nc1ccc(F)c(C(=O)N2CCCC[C@H]2C(C)C)c1 71910092 RSIJQLJTRXKWCY-INIZCTEOSA-N 306.381 3.435 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccco2)c(OC)c1 71928310 ZOGGQZNTGUANDP-AWEZNQCLSA-N 301.342 3.274 0 40 DGAB CCOc1cc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc2occc12 72240149 JVFGPHHEKUGSHU-RYUDHWBXSA-N 303.358 3.081 0 40 DGAB O=C(NC(c1ccccc1)c1ccccc1)N[C@H]1CCC[C@@H](O)C1 75156868 VPOKQOBRFGQLIP-ZWKOTPCHSA-N 324.424 3.379 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)c(F)c1 78898044 RNIYGYSAPFHTLF-BDJLRTHQSA-N 324.827 3.216 0 40 DGAB Cc1nnc(SC[C@@H](O)c2cccc(Cl)c2)n1C1CC1 78938602 YSKFGHOEGJINKY-CYBMUJFWSA-N 309.822 3.401 0 40 DGAB Cc1ccc(C)c(OCCCOc2ccc(C)nc2CO)c1 78991281 AIZLHPLTHQCILF-UHFFFAOYSA-N 301.386 3.347 0 40 DGAB O=C(Nc1cccc(F)c1F)N1CCCC[C@@H]1c1ncc[nH]1 84339130 BWEJMFDFVFWZMV-GFCCVEGCSA-N 306.316 3.447 0 40 DGAB COCCN(Cc1ccoc1)C(=O)CCSc1ccccc1 85474311 BSHLTTMOZGLDPK-UHFFFAOYSA-N 319.426 3.437 0 40 DGAB O=C(c1ccncc1F)N1CC[C@@H](Oc2cccc(Cl)c2)C1 89763104 KKXCBCLGOBOLLR-CYBMUJFWSA-N 320.751 3.168 0 40 DGAB Cc1occc1C(=O)NCCOc1ncc(Cl)cc1Cl 95416895 SKFDJRGLQOITKM-UHFFFAOYSA-N 315.156 3.099 0 40 DGAB Cc1nc([C@H](C)NC2CCN(Cc3ccccn3)CC2)cs1 95422167 LNLWYKMUSDDCEK-ZDUSSCGKSA-N 316.474 3.162 0 40 DGAB C[C@H](NCCc1ccccn1)c1c(Cl)nc2sccn12 95427050 MTCOJAPGGCVFMU-JTQLQIEISA-N 306.822 3.338 0 40 DGAB O[C@@H](Cn1cc(Cl)cn1)c1ccc(OC(F)(F)F)cc1 95438804 YZYBSUCYYSUEJH-NSHDSACASA-N 306.671 3.169 0 40 DGAB Cc1cc(C)n2c(CN(C)Cc3sccc3C)cnc2n1 95982324 UNAXJSFBYHANKB-UHFFFAOYSA-N 300.431 3.348 0 40 DGAB CC(C)(C)c1cc(C(=O)Nc2cc(C(=O)O)ccc2F)no1 95989563 HMFRUMZFDKFRSP-UHFFFAOYSA-N 306.293 3.062 0 40 DGAB C[C@@H](NC[C@H](c1ccccc1)N1CCOCC1)c1ccco1 96476468 YMWPHQRZTBJWBT-NVXWUHKLSA-N 300.402 3.004 0 40 DGAB CC(C)Cn1ncnc1CSc1nc(-c2ccccc2)n[nH]1 96496688 RDXGTXPSLGANCH-UHFFFAOYSA-N 314.418 3.012 0 40 DGAB Cc1n[nH]c(C)c1CNCc1ccc(OCC(F)(F)F)cc1 97159202 VNGXKIRNWBCDKP-UHFFFAOYSA-N 313.323 3.257 0 40 DGAB COc1cc(Oc2ccccc2)ccc1NCc1nncn1C 97233459 YNCDQMYNUJINLW-UHFFFAOYSA-N 310.357 3.228 0 40 DGAB C[C@@H]1CCCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)C1 100831790 UGAJKEUNTZQXSB-OGJJZOIMSA-N 309.494 3.311 0 40 DGAB CC[C@@H](CN[C@@H]1CCCS(=O)(=O)C1)c1ccc(Cl)cc1 195549891 IXVSKCSMQYRPDP-SWLSCSKDSA-N 315.866 3.000 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@H]1CCCO1 224232408 SNCTZJUEWDEXKJ-QZTJIDSGSA-N 317.429 3.018 0 40 DGAB CCn1cc(CN2CCC[C@H](Cc3cccc(C)n3)C2)c(C)n1 257214607 CMPPTYRIABPXPX-QGZVFWFLSA-N 312.461 3.370 0 40 DGAB O=C(Cc1ccccc1)N1CCn2c(-c3ccsc3)cnc2C1 306126212 DPRISIPJCXJRIW-UHFFFAOYSA-N 323.421 3.197 0 40 DGAB Cn1cc(C(=O)NC2CCCCCCC2)c(=O)c2ccccc21 408712940 CGUASQYZMVQFKH-UHFFFAOYSA-N 312.413 3.381 0 40 DGAB COC(=O)c1cn(Cc2ccc(F)cc2Cl)nc1C(F)F 408715340 AXCSDNXOWSCZKN-UHFFFAOYSA-N 318.682 3.448 0 40 DGAB Cc1cncc(N(Cc2ncc[nH]2)C(=O)c2ccoc2C2CC2)c1 566304040 LRTIVWHMTXANEY-UHFFFAOYSA-N 322.368 3.431 0 40 DGAB CC1CCC(C)(CNC(=O)N2CC[C@H](n3cccn3)C2)CC1 571582524 XBLHRPHUCFTJKX-CKDBGZEDSA-N 304.438 3.056 0 40 DGAB C[C@@H]1CNCC[C@]1(O)Cc1ccc(Br)c(Cl)c1 1083806278 CVNGMMJQYDYSGZ-RNCFNFMXSA-N 318.642 3.006 0 40 DGAB FC(F)(F)c1cc(N2[C@H]3CC[C@H]2CC(n2cccn2)C3)ncn1 1776009038 RYKNAZKCZIRMHG-QWRGUYRKSA-N 323.322 3.064 0 40 DGAB CC(C)N(CCOc1cccc(C(=O)O)c1)C(=O)OC(C)(C)C 2037879589 GDUMIFJWRARBRN-UHFFFAOYSA-N 323.389 3.409 0 40 DGAB C1=NC2=NC3=C(CCc4ccccc43)[C@@H](c3cccs3)N2N1 38307 JOYADHHGLLIJAF-INIZCTEOSA-N 306.394 3.365 0 40 DGAB Ic1ccc(O[C@H]2CCCCO2)cc1 304656 VFXGXQLIEHCZKU-NSHDSACASA-N 304.127 3.197 0 40 DGAB CCOc1ccc(NC(=O)[C@]23CC[C@H](C2)C(C)(C)C3=O)cc1 352959 AGVMVKZCSSFSJN-KZULUSFZSA-N 301.386 3.419 0 40 DGAB CCOC(=O)n1c(=O)n(Cc2ccc(C)cc2)c2ccccc21 1397809 AUBGSRQPMXFMNA-UHFFFAOYSA-N 310.353 3.164 0 40 DGAB C[C@H]1CN=C(NC(=O)Nc2cccc(C(F)(F)F)c2)S1 3173232 MJKJVFKCCVVTSR-ZETCQYMHSA-N 303.309 3.318 0 40 DGAB CCCC(=O)OCC(=O)Nc1nc(-c2ccccc2)cs1 3254725 CSZBDVJYBVJHES-UHFFFAOYSA-N 304.371 3.092 0 40 DGAB CCCC(=O)OCC(=O)Nc1ncc(C(F)(F)F)cc1Cl 3270194 STYRTHGPERWUJU-UHFFFAOYSA-N 324.686 3.036 0 40 DGAB O=C(COC(=O)c1c(F)cccc1Cl)NC1CCCCC1 3312914 BPIBXCXQWGRVRV-UHFFFAOYSA-N 313.756 3.085 0 40 DGAB O=C(COc1ccc(OCc2ccccc2)cc1)N1CCCC1 4702610 XQBFQJGVMXUVGA-UHFFFAOYSA-N 311.381 3.267 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2cc(C(=O)O)ccc2C)cc1 5134941 PHRSIIHDIHEOFA-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB O=c1c2ccccc2nc(-c2ccccc2)n1C[C@H]1CCCO1 5875045 CTCQDKUUFIAOCD-OAHLLOKOSA-N 306.365 3.243 0 40 DGAB Cc1nc(NC(=O)c2ccc(Cl)cc2)sc1C(=O)N(C)C 6255108 CPVRBSURRPYNPA-UHFFFAOYSA-N 323.805 3.059 0 40 DGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(Br)c1 6330660 KABYKUULLJDORI-NEPJUHHUSA-N 324.174 3.055 0 40 DGAB CC1(C)CC(=O)c2c(O)cc(=O)n(-c3ccc(Cl)cc3)c2C1 6493229 BRAWSOPUHQYROA-UHFFFAOYSA-N 317.772 3.352 0 40 DGAB Cc1cc2[nH]c(SCC(=O)O)nc2c(Br)c1C 6694267 MKPCOCBZHBCFIN-UHFFFAOYSA-N 315.192 3.119 0 40 DGAB CCN1C(=O)N/C(=C/c2ccc(OCc3ccccc3)cc2)C1=O 6951705 RVQGZHANCNBESN-SFQUDFHCSA-N 322.364 3.178 0 40 DGAB Cc1cc(Cl)ccc1OCC(=O)Nc1c(C)nn(C)c1C 6988748 BJSXCXGKIMJKMK-UHFFFAOYSA-N 307.781 3.016 0 40 DGAB CCOC(=O)N1CCN(C(=O)CCCC2CCCCC2)CC1 7060711 MYJHFXUEYHQSOZ-UHFFFAOYSA-N 310.438 3.038 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc3c(c2)OCO3)cc1F 7073903 LVVIEWVDXTYNOS-JTQLQIEISA-N 317.316 3.054 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccc(N2CCCC2)cc1 7358186 JQLTVNPEUSVMME-UHFFFAOYSA-N 301.434 3.101 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)N[C@@H](C)CCCC(C)C)c1 7375200 KIIDLBIXCLVXET-ZDUSSCGKSA-N 311.447 3.382 0 40 DGAB COc1cccc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1 7924811 FVOWSRKKVAECLI-LLVKDONJSA-N 303.333 3.334 0 40 DGAB COc1cc2sc(NC(=O)C(F)(F)F)nc2cc1Cl 8054014 CCXJKOKFPCIBJN-UHFFFAOYSA-N 310.684 3.459 0 40 DGAB CC(=O)c1cccc(NC(=O)c2cncn2-c2ccc(F)cc2)c1 8281406 IQCDASBOHVLKAD-UHFFFAOYSA-N 323.327 3.466 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)Nc1ccc(C)cc1 8428967 YCEWRCAQCCQWHP-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H]2Cc3ccccc3S2)s1 11181407 HWSXQTSOKQXWEB-GFCCVEGCSA-N 319.407 3.190 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cn(C)c3ccccc23)cc1 12534489 LGQZBPTUTSPWLT-UHFFFAOYSA-N 307.353 3.389 0 40 DGAB Cc1cccc(N2CCN(Cn3nc(C)sc3=S)CC2)c1 12565192 KZHWOHGYIKEIOU-UHFFFAOYSA-N 320.487 3.071 0 40 DGAB Cc1ccc(C2=NN(c3ccc(C(=O)O)cc3)C(=O)CC2)s1 13086999 DVFMIKKZWPSVKK-UHFFFAOYSA-N 314.366 3.286 0 40 DGAB CCOCCCNc1nc2sc(C)c(C)c2c2nc(C)nn12 13656205 XESICBKLLZQEAI-UHFFFAOYSA-N 319.434 3.103 0 40 DGAB Cc1nn(-c2c(F)c(F)nc(F)c2F)c(C)c1Br 15202887 FXNDDZOCVYNFFR-UHFFFAOYSA-N 324.075 3.203 0 40 DGAB COc1cccc(NC(=O)c2cnn(Cc3ccccc3)c2)c1 16505669 SEJYWSBXBBHMHU-UHFFFAOYSA-N 307.353 3.192 0 40 DGAB CCCn1ccnc1S[C@H](C(=O)NC1CC1)c1ccccc1 17725352 GERSSSFJEIVPKT-HNNXBMFYSA-N 315.442 3.405 0 40 DGAB CN1CC=CC[C@H](C2CCN(Cc3ccc(F)cc3)CC2)C1=O 19696041 UPBKBXHGEHBKHO-GOSISDBHSA-N 316.420 3.072 0 40 DGAB CCOc1cccc(CNS(=O)(=O)Cc2ccccc2C)c1 20459413 JXCBLBRLFLCQHK-UHFFFAOYSA-N 319.426 3.013 0 40 DGAB CCN(CC)CCN1COc2c(cc(Cl)c3cccnc23)C1 22926556 WCFNWZHJCJOGNP-UHFFFAOYSA-N 319.836 3.382 0 40 DGAB C[C@@H](Sc1ccccc1)C(=O)NCCOc1ccccc1 25643223 CBZRPFVBEHPPLE-CQSZACIVSA-N 301.411 3.362 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cc(C)cc(C)c2)cc1F 32586198 ZXXFIHOCOBNMTL-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2cccnc2)cc(Cl)c1OC 32731651 DZDYLMGLMYNUHD-JTQLQIEISA-N 320.776 3.243 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc[nH]c1=S 32879958 HUIRJURITYEPFY-UHFFFAOYSA-N 313.382 3.123 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Nc2cc(C)on2)cc1Cl 32889686 GPHNTUPTOHBBCX-UHFFFAOYSA-N 308.725 3.239 0 40 DGAB CN1CCC(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)CC1 40464616 PAMVKPQNNLSWGJ-UHFFFAOYSA-N 318.804 3.424 0 40 DGAB CC[C@H]1c2ccsc2CCN1C(=O)Cc1c(C)nn(C)c1C 40479714 UQCHWXRKRVFUKI-HNNXBMFYSA-N 317.458 3.177 0 40 DGAB CC(C)C(=O)N1CCC(NC(=O)CCC2CCCCC2)CC1 40498939 BVTROIZXOBVNAU-UHFFFAOYSA-N 308.466 3.110 0 40 DGAB C[C@@H](NC(=O)c1cnns1)c1ccc(Cl)cc1Cl 40554630 NGIDLODTPCUDCF-ZCFIWIBFSA-N 302.186 3.336 0 40 DGAB CC(C)c1noc([C@H]2CCCN(C(=O)c3cccs3)C2)n1 41122542 UPESBBBVYZRTFN-NSHDSACASA-N 305.403 3.274 0 40 DGAB COc1cc([C@@H](C)NC(=O)c2cc(C)on2)ccc1OC(C)C 41867817 KWPYZJAVBIHONJ-GFCCVEGCSA-N 318.373 3.270 0 40 DGAB O=C(NCCc1nc2ccccc2[nH]1)c1cc2c(F)cccc2[nH]1 44008113 JXZJPDDPBIEUTE-UHFFFAOYSA-N 322.343 3.156 0 40 DGAB O=C(Nc1cccc(OC[C@@H]2CCCO2)c1)OCC(F)(F)F 44980570 GVBXDRXQHLYCAE-LBPRGKRZSA-N 319.279 3.355 0 40 DGAB Cc1ccc(CNC(=O)c2cccc(N3CCCC3=O)c2)c(C)c1 45200696 JYSHIBJRWMEMSB-UHFFFAOYSA-N 322.408 3.360 0 40 DGAB COc1ccc([C@@H](C)NC(=O)N2CCCCCC2)c(OC)c1 46080221 JRPGWGGVXYXUOQ-CYBMUJFWSA-N 306.406 3.350 0 40 DGAB CCn1cc(NC(=O)CCc2ccc(Cl)cc2)ccc1=O 47181401 LDIKPYDICDGCJV-UHFFFAOYSA-N 304.777 3.093 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@@H]2CC=CCC2)c1 48342656 XJAASDGZUCRXRM-GOEBONIOSA-N 314.429 3.187 0 40 DGAB Cc1cc(C)c([C@H](C)N2CCN(c3ncccn3)CC2)c(C)c1 57984988 AMCXOGHJPLBHMS-KRWDZBQOSA-N 310.445 3.285 0 40 DGAB Brc1ccc(CN2CCCN(C3CC3)CC2)cc1 58421172 VVAQYTZAVMIDGR-UHFFFAOYSA-N 309.251 3.119 0 40 DGAB c1ccc(Cc2nc(COn3nnc4ccccc43)cs2)cc1 58439874 GUTQSZHBZRNREZ-UHFFFAOYSA-N 322.393 3.107 0 40 DGAB O=C(N[C@@H]1CCN(C2CCCCCC2)C1)c1cc(F)ccc1F 60359545 FKCBHFKWZVAHJQ-CQSZACIVSA-N 322.399 3.492 0 40 DGAB COc1cccc(S[C@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 65607873 YRTPOGUQTUIBRK-GFCCVEGCSA-N 319.430 3.165 0 40 DGAB COCO[C@H]1CCCN(c2ccccc2[C@H](N)CC(C)C)C1 65743342 HVWGQJMMDGGTPN-DOTOQJQBSA-N 306.450 3.322 0 40 DGAB in-vitro CCN(C(=O)c1ccc(C)nc1)[C@H](C)Cc1ccc(OC)cc1 66806620 MATPQWDBXQHAHJ-OAHLLOKOSA-N 312.413 3.492 0 40 DGAB c1ccc2sc(CN3CCCC[C@@H]3C3OCCO3)nc2c1 69240054 IDDBUBIMIZUDKW-CYBMUJFWSA-N 304.415 3.024 0 40 DGAB CCc1nnsc1C(=O)N(Cc1ccc(C)cc1)C1CC1 69452221 SRGLWBHSMCDMRV-UHFFFAOYSA-N 301.415 3.214 0 40 DGAB Cc1ccc([C@H]2C[C@@H]2C(=O)NCc2cn3ccccc3n2)s1 69488182 XQYZHBGNQYOAFQ-KBPBESRZSA-N 311.410 3.124 0 40 DGAB O=C(CN1CC[C@@H](c2ccccc2)C1)N1CCc2ccccc21 69581955 YZKQPKBCVOXTTC-GOSISDBHSA-N 306.409 3.065 0 40 DGAB O=C(CCn1ccc2c(Cl)cccc21)Nc1nncs1 71279886 PQVGZDPLNSHVOS-UHFFFAOYSA-N 306.778 3.175 0 40 DGAB Cc1oc(-c2ccco2)nc1CN1CCC[C@H]1c1cnn(C)c1 71797162 LBZXHEIWSHAZQY-HNNXBMFYSA-N 312.373 3.314 0 40 DGAB CCO[C@@H]1CCCN(C(=O)c2cc(-c3csc(C)n3)c[nH]2)C1 71827137 IRIBCTKCDUDDJW-CYBMUJFWSA-N 319.430 3.088 0 40 DGAB CCn1ccnc1SCc1csc(N(C(C)=O)C2CC2)n1 71907980 BYZMFHGSOWHRTQ-UHFFFAOYSA-N 322.459 3.167 0 40 DGAB CC(C)c1cnc(CNC(=O)c2ccc(Br)cc2)o1 71911433 FOGBHOIDQDAZLY-UHFFFAOYSA-N 323.190 3.491 0 40 DGAB CC(=O)N1CCC[C@@H]1c1cccnc1NC(=O)OC(C)(C)C 72214371 JRNZYSJELYNRTJ-CYBMUJFWSA-N 305.378 3.112 0 40 DGAB C[C@H](NC(=O)CCn1ccnn1)c1ccc(-c2ccccc2)cc1 73966835 NTVZERNKVHUCRM-HNNXBMFYSA-N 320.396 3.213 0 40 DGAB Cc1cc(C(=O)NCc2cn3ccsc3n2)c(C)n1C1CC1 78379656 SFPPJOMLUHVJGG-UHFFFAOYSA-N 314.414 3.079 0 40 DGAB O=C(Nc1cccc(Cl)n1)C1=NO[C@@H](c2ccccc2)C1 81550333 MBTHIRMAGYBQMV-GFCCVEGCSA-N 301.733 3.191 0 40 DGAB Cc1cc(C)n(CC(=O)N(Cc2ccco2)C2CCCC2)n1 84102119 HBMQDQWMVQXXNN-UHFFFAOYSA-N 301.390 3.064 0 40 DGAB Cc1ccc(C(=O)Nc2cc(C(=O)N(C)C)ccc2F)cc1F 84183153 YFTJGICCOVGRKX-UHFFFAOYSA-N 318.323 3.227 0 40 DGAB c1ccc(CN2CCN(c3ccnc4ccsc34)CC2)nc1 84610046 DRYRASUBYJSTCP-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB Cc1cc(NCCCc2c(C)noc2C)nc(-c2ccncc2)n1 84928256 TVQLSSQGSDLBHT-UHFFFAOYSA-N 323.400 3.497 0 40 DGAB COCc1nccc([C@@H]2CCCN(CC3CCCCC3)C2)n1 89420447 XUCTXALPWSOQJT-MRXNPFEDSA-N 303.450 3.383 0 40 DGAB CC(C)Cc1nc(CN(C)Cc2nc3ccccc3o2)no1 89856539 XWPUBMQKBVTHHJ-UHFFFAOYSA-N 300.362 3.041 0 40 DGAB CCOCCC1(CNC(=O)Nc2cnc(C3CC3)nc2)CCC1 95422535 OSZIOZNAHYXIPF-UHFFFAOYSA-N 318.421 3.072 0 40 DGAB CC(C)(C)c1ncc(CN[C@@]2(CO)CCc3ccccc32)s1 95429780 YDDVAZNJNVMOOY-GOSISDBHSA-N 316.470 3.364 0 40 DGAB CC[C@@](C)(COc1ncccc1Cl)NCc1cnn(C)c1C 95440163 UFXXZKHITOSQFH-INIZCTEOSA-N 322.840 3.114 0 40 DGAB Cc1[nH]c2ccc(F)cc2c1CC(=O)NC[C@H]1CCO[C@@H](C)C1 95457851 SBCOCDVQXRFUSF-AAEUAGOBSA-N 318.392 3.089 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@H]2CCN(C)C[C@@H]21 95466218 HJSNSLVFXZGHHX-ZBFHGGJFSA-N 317.433 3.032 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 95466219 HJSNSLVFXZGHHX-HOCLYGCPSA-N 317.433 3.032 0 40 DGAB COc1cc(C(=O)c2ccc(F)c(F)c2)cc(OC)c1OC 95916682 ZPQDYCVXBZZOFQ-UHFFFAOYSA-N 308.280 3.222 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1c1cccs1 95954180 AFQUESHTOUXENC-AWEZNQCLSA-N 324.409 3.306 0 40 DGAB C[S@](=O)c1ccc(CNc2nnc(C3CCCCC3)o2)cc1 95992310 ULJADEFOHVZOFN-JOCHJYFZSA-N 319.430 3.467 0 40 DGAB C[C@H](NC(=O)Nc1ccc(Cl)c(OC(F)F)c1)[C@@H](C)CO 96003133 GRWVMLKQDRNTFO-YUMQZZPRSA-N 322.739 3.080 0 40 DGAB Cc1ccc2c(c1)C=C[C@H]2CC(=O)N[C@@H](CO)c1ccccc1 96345091 CERPILJUXHHDKU-HKUYNNGSSA-N 307.393 3.345 0 40 DGAB Cc1csc(NC(=O)Nc2ccc(OCCN(C)C)cc2)n1 96443632 RCQAPZQQQMVERA-UHFFFAOYSA-N 320.418 3.036 0 40 DGAB O=C(Nc1ccc(Cl)cc1)C(=O)N(C1CCCC1)C1CC1 97001618 NOXYXEPDKPIPKL-UHFFFAOYSA-N 306.793 3.212 0 40 DGAB CCc1cnc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)s1 97112423 AQQDZWZRFKZFCC-GFCCVEGCSA-N 317.458 3.258 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](c2ccc(Cl)cc2)[C@@H](CO)C1 98089119 VNZXUJLWKOKVCE-TZMCWYRMSA-N 311.809 3.283 0 40 DGAB CCOC(=O)c1ccc(/N=c2\ssnc2Cl)cc1 100216123 RTQKMSZUENTPQJ-RAXLEYEMSA-N 300.792 3.267 0 40 DGAB CCc1nnsc1C(=O)N(CC(F)(F)F)[C@H](C)C(C)C 106407262 WWLXSYWMUIAJMD-MRVPVSSYSA-N 309.357 3.150 0 40 DGAB O=C(NO[C@@H]1CCCCO1)N[C@@H](c1ccc(F)cc1)C1CC1 163076200 JGDJXKOHZMYLLT-HUUCEWRRSA-N 308.353 3.034 0 40 DGAB CC(C)(C)n1cc(/C=C/c2ncc(Br)s2)nn1 193051184 RISRPZZCEYHJPX-SNAWJCMRSA-N 313.224 3.423 0 40 DGAB Cc1ccc2c(c1)[C@H](NCCc1nnc3ccccn13)[C@@H](C)C2 195553429 SQDCJONJRDZIAB-IFXJQAMLSA-N 306.413 3.103 0 40 DGAB O=C(CSC1CCCC1)NC[C@H]1CCCN1c1ccccc1 207991416 VNXAAHRAZNASMY-MRXNPFEDSA-N 318.486 3.447 0 40 DGAB O=C(O)c1cc(OCc2ccccc2)cc(Br)c1O 216753057 WVSYWZAJLDDUJR-UHFFFAOYSA-N 323.142 3.432 0 40 DGAB Cc1ccc(OCCCC(=O)NCCOc2ccccc2)cc1 224142881 NMDYGNIDKBHPDA-UHFFFAOYSA-N 313.397 3.349 0 40 DGAB CCCCO[C@@H](Cc1ccc(Br)cc1)C(=O)O 225067139 ZYNDYEIBNBOTTP-LBPRGKRZSA-N 301.180 3.262 0 40 DGAB COc1ccc(CSCC2(O)CCOCC2)cc1Cl 225619956 WWGIGNSKOUZAEQ-UHFFFAOYSA-N 302.823 3.123 0 40 DGAB Cc1ccc(NC(=S)N[C@@H](C)COc2ccccc2C)nc1 225638545 OLIHCELISXGBFC-AWEZNQCLSA-N 315.442 3.452 0 40 DGAB CCOC1(C(=O)Nc2cnc(OC)c(C)c2)CCC(C)CC1 225901754 FQCITUIMTUJOFB-UHFFFAOYSA-N 306.406 3.323 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2cccc(N)c2)C1 228910626 AWZWPGOCHWPHNV-CYBMUJFWSA-N 305.422 3.010 0 40 DGAB CN(C)c1ncc(-c2cccc(F)c2)c([C@H]2CCCCN2)n1 257240130 HSDYRUQDLJCIJP-OAHLLOKOSA-N 300.381 3.163 0 40 DGAB CC[C@@H](NC(=O)N1CCC[C@H]1c1cc(C)no1)c1nccs1 331373002 APZORMHNMSTLBB-NEPJUHHUSA-N 320.418 3.437 0 40 DGAB O=C([C@@H]1CC=CCC1)N1[C@H]2CC[C@H]1CC(Oc1cccnc1)C2 390830825 NRXWXSINXWICCG-PMPSAXMXSA-N 312.413 3.339 0 40 DGAB CC(C)C[C@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cccc1 524732342 QGUIGZHGPHFPHA-QGZVFWFLSA-N 324.428 3.311 0 40 DGAB CC(C)OCC(=O)Nc1cccc(-c2nnsc2Cl)c1 585126133 PTXPFHZOGNKWFF-UHFFFAOYSA-N 311.794 3.222 0 40 DGAB C=CC(=O)N1CCC[C@H]1c1csc(Nc2ccccn2)n1 585292154 XDUYTKOBIRKKOP-LBPRGKRZSA-N 300.387 3.131 0 40 DGAB O=C(c1ccc2nc([C@H]3CCCO3)oc2c1)N1CCCCC1 1553413576 BVMXPZCIAYDOFL-CQSZACIVSA-N 300.358 3.305 0 40 DGAB CCOC(=O)[C@@]12C(=O)Oc3ccccc3[C@H]1C(C)(C)C2(C)C 339676 PLNNXAVEFSXDEX-SCLBCKFNSA-N 302.370 3.305 0 40 DGAB CCCCOC(=O)n1c(=O)oc2cc(Br)ccc21 2026361 RCRMVHPNOQXMJV-UHFFFAOYSA-N 314.135 3.142 0 40 DGAB COc1ccc(C(=O)[C@H](CCCO)[C@@H]2CCOC(C)(C)C2)cc1 2139292 CFFPLOUXQRJWDM-NVXWUHKLSA-N 320.429 3.472 0 40 DGAB biogenic O=C(COc1ncnc2sccc12)Nc1ccc(Cl)cc1 2618707 JMZZJWOCALNWJT-UHFFFAOYSA-N 319.773 3.362 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@@H](CC(C)C)N1CCC1=O 3151848 DNKNGKAXHZSHAU-OAHLLOKOSA-N 302.418 3.143 0 40 DGAB COc1ccc(NS(=O)(=O)c2ccc(C)c(Cl)c2)cc1 3216753 UKAMGEZMUWDMQB-UHFFFAOYSA-N 311.790 3.458 0 40 DGAB CN(C)c1ccc(-c2nn3c(-c4ccco4)nnc3s2)cc1 4414518 CDLRELXOAPUHDD-UHFFFAOYSA-N 311.370 3.179 0 40 DGAB CCc1cccc(NC(=O)CCCCC[C@@H]2NC(=O)N[C@H]2C)c1 4520362 LCMCFIMDFHOMQO-BBRMVZONSA-N 317.433 3.208 0 40 DGAB COc1ccc(CC(=O)Nc2ccc(C)c(F)c2)cc1OC 5702138 YXAGWMNUJGNSKN-UHFFFAOYSA-N 303.333 3.333 0 40 DGAB CCCNC(=O)NC(=O)CSc1cc(Cl)ccc1Cl 6138682 QEMLVVUETPHPKU-UHFFFAOYSA-N 321.229 3.321 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)OC(=O)c2[nH]nc3ccccc23)cc1 6370693 QXLFRZCYGGQSEN-GFCCVEGCSA-N 323.352 3.055 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N2c3ccccc3C[C@@H]2C)c1C 6422818 FJZDJFMMTZUJKA-AWEZNQCLSA-N 323.392 3.438 0 40 DGAB C[C@H]1CCc2nc(NC(=O)COc3ccccc3)sc2C1 6795737 XRVXPJJBUWSZIY-NSHDSACASA-N 302.399 3.285 0 40 DGAB CC1CCN(CCCNC(=S)Nc2ccccc2F)CC1 7027248 OCPCHTLDMMCYSU-UHFFFAOYSA-N 309.454 3.234 0 40 DGAB C[C@@H](Sc1nc2ccccc2[nH]1)C(=O)N1CCCCCC1 7059489 RYLSXKCIOBPIOF-GFCCVEGCSA-N 303.431 3.446 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)SCc1ccccc1 7552884 OOMVUEZPOKEFMA-ZDUSSCGKSA-N 303.431 3.297 0 40 DGAB C[C@@H]1c2ccsc2CCN1CC(=O)NCc1ccccc1F 7879117 VOFKJVWWQGWDRY-GFCCVEGCSA-N 318.417 3.123 0 40 DGAB O=S(=O)(Nc1nc2c(F)cccc2s1)c1cccs1 8864735 QSLCFIHZOWEDIL-UHFFFAOYSA-N 314.388 3.298 0 40 DGAB Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)c1C 9315939 MHIVAJJPFJPHBZ-LBPRGKRZSA-N 310.353 3.275 0 40 DGAB CCCOc1cccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)O)c1 9780239 ATZGIGYGIUMTOM-LSDHHAIUSA-N 305.374 3.305 0 40 DGAB Cc1cc(Nc2cccc([C@@H](C)O)c2)nc(-n2nc(C)cc2C)n1 10215017 HZTKRXPHSYIMFE-CQSZACIVSA-N 323.400 3.384 0 40 DGAB O=c1[nH]c(=S)c2c(n1CCc1c[nH]c3ccccc13)CCC2 10509870 ATUNDAUGMUWFFX-UHFFFAOYSA-N 311.410 3.119 0 40 DGAB Cc1cccc(N2CCN(Cc3cccc(C(=O)O)c3)CC2)c1C 11804726 CLWSBVXAYWDJIU-UHFFFAOYSA-N 324.424 3.324 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)Cc1cccs1 12680895 WBOXMPSXZLTSEL-GFCCVEGCSA-N 316.426 3.458 0 40 DGAB Cc1nc2cc(NC(=O)CCc3ccc4c(c3)OCO4)ccc2o1 12696633 RXCSHLDWGUDMOL-UHFFFAOYSA-N 324.336 3.436 0 40 DGAB C[C@H](NC(=O)c1ccc(Cn2cccn2)cc1)c1cccs1 14043450 OVODTZQSPHSFJX-ZDUSSCGKSA-N 311.410 3.484 0 40 DGAB COc1ccc(O[C@H](C)C(=O)NCCSC(C)(C)C)cc1 14401792 QZCXYHJKSMVDOI-GFCCVEGCSA-N 311.447 3.110 0 40 DGAB COc1cc(C=O)ccc1OCc1nc2ccccc2nc1C 16265410 GVZQPSIFLRCHLP-UHFFFAOYSA-N 308.337 3.338 0 40 DGAB COCCCn1c(S)nnc1CSCc1ccccc1 17032030 WSMIXUKSPJZFNR-UHFFFAOYSA-N 309.460 3.037 0 40 DGAB Cc1nc(C(=O)NC2CCCCC2)nn1-c1ccc(Cl)cc1 17193722 ZZUUCWVCKUTQNI-UHFFFAOYSA-N 318.808 3.292 0 40 DGAB Cc1cc(C)cc(OCc2cc(=O)n3c(C)csc3n2)c1 21368911 QYPWYGMWKRZPLS-UHFFFAOYSA-N 300.383 3.260 0 40 DGAB Cc1cccc(-c2noc(COc3ccc(C(=O)O)cc3)n2)c1 22120641 XVWXQFINZTTWDR-UHFFFAOYSA-N 310.309 3.322 0 40 DGAB CCn1cc(NS(=O)(=O)c2cc(Cl)ccc2Cl)cn1 24577042 MIAVBUAWSNPLQX-UHFFFAOYSA-N 320.201 3.011 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1nc(-c2cccs2)no1 24577065 QOZCMXUTEZKKIP-CMDGGOBGSA-N 311.366 3.128 0 40 DGAB COC(=O)C1=C(C)N(CCC(C)C)C(=O)N[C@@H]1c1ccccc1 24991369 FTKXGTMFTTYYNN-MRXNPFEDSA-N 316.401 3.246 0 40 DGAB O=c1[nH]c(CN2CCC[C@H]2Cc2ccccc2)nc2ccccc12 25439917 KZMYVFUUQGPVNB-INIZCTEOSA-N 319.408 3.130 0 40 DGAB C[C@H]1CCc2ccccc2N1C(=O)COc1cccc(C=O)c1 25805846 GSUBUKGWGFKGRE-AWEZNQCLSA-N 309.365 3.246 0 40 DGAB O=C(C[C@@H]1Sc2ccc(Cl)cc2NC1=O)NCC1CCC1 26142146 JZHZHYWCLCOFCE-ZDUSSCGKSA-N 324.833 3.059 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H]([C@H](O)c2ccccc2)COC1(C)C 33798544 WLNSEHZFRWNFFR-ZIAGYGMSSA-N 307.390 3.092 0 40 DGAB C[C@H](Nc1ccccc1S(=O)(=O)C(F)F)c1ccncc1 35693741 OUIPJDDSDLCQMZ-JTQLQIEISA-N 312.341 3.251 0 40 DGAB CCCCN1CN(c2ccccc2)c2nc(C)c(C)c(=O)n2C1 38829839 IEKQECPNANVTBK-UHFFFAOYSA-N 312.417 3.029 0 40 DGAB CCOC(=O)N1CCC(NC(=O)Nc2ccc(C)c(C)c2)CC1 40525388 PKRPEJJYNGMCLJ-UHFFFAOYSA-N 319.405 3.046 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(Br)cc1F 40525822 AEXJPVJRXCKBGC-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB Cc1cc(C(=O)N2CCC(c3nnc(C(C)C)o3)CC2)c(C)o1 44098679 CELZFGOSZAOTPW-UHFFFAOYSA-N 317.389 3.423 0 40 DGAB O=C([C@H]1COc2ccccc2O1)N(Cc1ccsc1)C1CC1 44446562 IZZZOXWDVLOQSK-MRXNPFEDSA-N 315.394 3.079 0 40 DGAB CCn1nc(C)c(-c2nn3c(-c4ccccc4)nnc3s2)c1C 44917225 NYLNAQQRCHUQPL-UHFFFAOYSA-N 324.413 3.353 0 40 DGAB CCN(CC)C(=O)NC1CCN(Cc2ccccc2C)CC1 45756497 FJKQIAXMZNZYTJ-UHFFFAOYSA-N 303.450 3.011 0 40 DGAB FC(F)(F)c1ccc(Cl)c(I)n1 47218652 VGIFNWJCIIMDPO-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB CC(C)COc1ccccc1NC(=O)N[C@H](C)Cn1ccnc1 48118227 UCHYJRICTWJOHT-CQSZACIVSA-N 316.405 3.128 0 40 DGAB O=C(C1=NO[C@@H](c2ccccc2)C1)N1CCC[C@H]1c1ccncc1 53029173 OCJOADWKJBTJEF-ZWKOTPCHSA-N 321.380 3.263 0 40 DGAB Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NC2CCN(C)CC2)c1 54148121 QPCFQJGWIQATFQ-OAHLLOKOSA-N 318.461 3.096 0 40 DGAB CN(C)CCNc1nc2ccc(OC(F)(F)F)cc2s1 56900916 SBOQADOKVTVSGX-UHFFFAOYSA-N 305.325 3.168 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2oc3ccccc3c2C)C1 57028068 JRGLAGWQABWYPU-CYBMUJFWSA-N 315.369 3.157 0 40 DGAB O=c1oc2c3c(c(Cl)cc2c2c1CCC2)OCN(C1CC1)C3 57135497 HCWQDACRQCXHDL-UHFFFAOYSA-N 317.772 3.249 0 40 DGAB c1coc(-c2nc(CNC[C@@H]3Cc4ccccc4O3)cs2)c1 63510697 DVWLVNAFOVRLPE-AWEZNQCLSA-N 312.394 3.496 0 40 DGAB Cc1nn(C(F)F)c(C)c1CC(=O)N(C1CCCC1)C1CC1 65545682 ALEQRQZZNILLLQ-UHFFFAOYSA-N 311.376 3.371 0 40 DGAB Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)C1CCC1 65561910 UDJDQWUYFOZVCG-UHFFFAOYSA-N 300.402 3.406 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N(C)[C@@H](C)c1cccs1 65591782 SXYOZNDQUDFWRY-LBPRGKRZSA-N 306.435 3.115 0 40 DGAB Clc1ccc(C2(NC[C@H]3CNc4ccnn4C3)CCC2)cc1 69582966 WQOAXHKGMILGBO-CYBMUJFWSA-N 316.836 3.247 0 40 DGAB COc1cc(C)c(S(=O)(=O)Cc2cccc(F)c2)cc1OC 69885741 CJAXOGKUJYGQIJ-UHFFFAOYSA-N 324.373 3.125 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1CCCC[C@H]1Cn1cccn1 70008800 BMYAUQHTGOWWPE-HNNXBMFYSA-N 308.385 3.059 0 40 DGAB CC(C)c1n[nH]c(=S)n1CCNc1ncnc2sccc12 71922345 DGVWLMMMNLVLHC-UHFFFAOYSA-N 320.447 3.181 0 40 DGAB COCc1nc(C)cc(N2CCC(c3ccc(O)cc3)CC2)n1 71922422 QYTBLQNQDFFZED-UHFFFAOYSA-N 313.401 3.021 0 40 DGAB CCO[C@H]1C[C@@H](NC(=O)c2ncoc2C(C)C)C12CCCC2 72303466 DYORIJRXYYYNFO-OLZOCXBDSA-N 306.406 3.266 0 40 DGAB Cn1ccnc1CN1CC[C@H](Cc2ccc3ncccc3c2)C1 72368079 ZCIJXXCAQOTLRW-MRXNPFEDSA-N 306.413 3.033 0 40 DGAB C[C@H](CNC(=O)N(C)Cc1ccncc1)Cc1cccs1 74626311 BHEBQWJYHHALAP-ZDUSSCGKSA-N 303.431 3.163 0 40 DGAB C[C@H](C(=O)N1CCCC[C@H]1c1nccs1)N1CCCCCC1 76042860 WPTAYNUWBKOJFH-CABCVRRESA-N 321.490 3.461 0 40 DGAB CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H](N)C(C)C 79421023 MZZDWAGQSSRJAG-ZDUSSCGKSA-N 302.340 3.037 0 40 DGAB CC(C)(C)SCC(=O)N1CCC[C@@H]1C[C@H](O)c1ccco1 89694443 SMISFYZMZICPTR-OLZOCXBDSA-N 311.447 3.226 0 40 DGAB Cn1nccc1C1CCN(Cc2cc(-c3ccccc3)[nH]n2)CC1 92810621 DGVQSLVPZSCWER-UHFFFAOYSA-N 321.428 3.190 0 40 DGAB CS(=O)(=O)[C@@H]1CCC[C@H](NCc2cc3ccccc3s2)C1 95412258 GJIHNXHHEIERHS-DZGCQCFKSA-N 323.483 3.347 0 40 DGAB O[C@@H](Cn1cc(Br)cn1)c1cccc(Cl)c1 95974742 URHSUTMZNTUDLP-NSHDSACASA-N 301.571 3.033 0 40 DGAB CC[C@@H]1c2ccsc2CCN1C(=O)c1ccc(C(=O)O)o1 95991814 RIFFWZFPEQKPAW-SNVBAGLBSA-N 305.355 3.189 0 40 DGAB CC1(C)CC(=O)N(CC(=O)Nc2ccccc2)c2ccccc21 96183192 HXNXMCCWQWOYHV-UHFFFAOYSA-N 308.381 3.340 0 40 DGAB O=C(O)[C@H](Sc1nncn1-c1ccccc1)c1ccccc1 96305865 YXCOLNDMLVXWBI-CQSZACIVSA-N 311.366 3.185 0 40 DGAB Cc1ccc(C[C@@H](C)NC(=O)N(C)Cc2c(C)noc2C)s1 96415590 GSDIGXMPYJACCJ-SNVBAGLBSA-N 321.446 3.434 0 40 DGAB Cc1ccccc1[C@H]1CN(C(=O)CCc2ccccn2)[C@H](C)CO1 96425671 HGSORRLPROCKBY-VQIMIIECSA-N 324.424 3.311 0 40 DGAB C[C@H](CCc1cccn1C)NC(=O)[C@@H]1CCOc2ccccc21 96425740 NULBMSZQKNYOPI-RHSMWYFYSA-N 312.413 3.029 0 40 DGAB C[C@@H]1CN(C)[C@H](C)C[C@H]1Nc1cccc(Oc2cnccn2)c1 97037315 RUEKHWQGCSDBRM-CKEIUWERSA-N 312.417 3.410 0 40 DGAB CNC(=O)[C@@H](Cc1ccccc1)SCc1nc(C)c(C)s1 97375845 OHYJVXJYKJGJIV-CQSZACIVSA-N 320.483 3.350 0 40 DGAB CNCc1cc([C@H]2CC[C@H](CN(C)C3CCCC3)CC2)nn1C 100687647 JWLZDFMYPAZHLH-IYBDPMFKSA-N 318.509 3.288 0 40 DGAB Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Cl 101616193 MZLJWZPEGTVBHN-QZKOUSHUSA-N 323.868 3.484 0 40 DGAB CC1(C)[C@@H]2C[C@@H]1CC=C2[C@@H]1NC(N)=Nc2nc3ccccc3n21 102898637 NPWRIMCTAVGORR-JVLSTEMRSA-N 307.401 3.077 0 40 DGAB CC/C=C(\C)C(=O)NC1CCN(Cc2cccc(OC)c2)CC1 102941877 YXIXLSKKMJWDJJ-GIDUJCDVSA-N 316.445 3.132 0 40 DGAB C[C@H](NC(=O)N[C@@H]1CCO[C@@]2(CCSC2)C1)c1ccccc1 107526821 BHFJAVJJMYFHTP-LXZKKBNFSA-N 320.458 3.102 0 40 DGAB CS[C@@H]1CCC[C@H]1N(C)CC(=O)N[C@H](C)c1cccs1 110642546 JFAKIHSRALTZPJ-YRGRVCCFSA-N 312.504 3.141 0 40 DGAB O=C(N1CCC(O)CC1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2 110658551 JYWRICWFKAQRII-ZWOKBUDYSA-N 313.441 3.019 0 40 DGAB CN(C)[C@H](C(=O)Nc1ccc(-c2ncc[nH]2)cc1)c1ccccc1 170627441 QEQIOVXOTOMQMZ-KRWDZBQOSA-N 320.396 3.318 0 40 DGAB Cn1cc(-c2nc(-c3ccncc3)no2)c(-c2cccs2)n1 193199015 AYSRMFZWZZQTRW-UHFFFAOYSA-N 309.354 3.261 0 40 DGAB Cc1ccc(C)c(-n2ccc(Br)c(C=O)c2=O)c1 218805666 DYIDGGBGLQVMCA-UHFFFAOYSA-N 306.159 3.029 0 40 DGAB Cc1cccc(NC(=O)c2ccc3c(c2)C(C)(C)CC(=O)N3)n1 222282264 AICFFSXNNCPWNT-UHFFFAOYSA-N 309.369 3.262 0 40 DGAB CCCCOCc1cc(C(=O)N[C@H](C)COC)ccc1OCC 224732791 ZPGKPPXOMVRDHB-CQSZACIVSA-N 323.433 3.167 0 40 DGAB CCOc1ccccc1C[C@@H](Oc1ccccc1OC)C(=O)O 225104777 LCJUYXRDCBZGAF-QGZVFWFLSA-N 316.353 3.169 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@@H](c2ccc3c(c2)OCO3)C1 225675820 CUABMIWCUZSJAJ-YVARQFDVSA-N 311.337 3.038 0 40 DGAB Cc1ccc(CC(=O)N2CCCC[C@@H]2c2[nH]ncc2C)s1 257203695 AREMRGUSTLWMHG-CQSZACIVSA-N 303.431 3.384 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)COc2ccccc2Cl)n1 257313969 UUWJXJFKFHZNKK-ZDUSSCGKSA-N 319.792 3.114 0 40 DGAB CC(C)(F)c1nc(-c2ccc(CN3CCCC3=O)cc2)no1 273884375 OCJBYZRUAUQWED-UHFFFAOYSA-N 303.337 3.064 0 40 DGAB Cc1c(F)cccc1NC(=O)CN(C)C(=O)Oc1ccccc1 409004154 WTBMAHGGAWOKRP-UHFFFAOYSA-N 316.332 3.203 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2C)C1=O 409235492 BPVHZVRCRCAFJB-FOWTUZBSSA-N 323.396 3.397 0 40 DGAB CO[C@H]1C[C@H](N(C)C(=O)Nc2cncc(Cl)c2C)C12CCC2 518914400 XLUFXCWBYPTDOP-KBPBESRZSA-N 323.824 3.465 0 40 DGAB CN(C)[C@H](CCC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 521394350 GRTPCGRBEIURRX-IAGOWNOFSA-N 318.461 3.143 0 40 DGAB Cc1nc2ccc(-c3nc(-c4cncs4)no3)cc2nc1C 573648192 ULCPJVNLWZDQGM-UHFFFAOYSA-N 309.354 3.420 0 40 DGAB COc1ccc(C(F)(F)F)cc1C(=O)C(C)(C)OC(C)=O 575361061 PRMGVKVSFSWFSZ-UHFFFAOYSA-N 304.264 3.238 0 40 DGAB CC(C)(C)OC(=O)NCc1nc([C@@H]2CCCSCC2)no1 575415198 YQNFXWJCSKSFJG-SNVBAGLBSA-N 313.423 3.095 0 40 DGAB COCC[C@@H]1CN(C(=O)c2cccc(C)c2)Cc2cccn2C1 585095400 PTNUWSHWGOXTFR-INIZCTEOSA-N 312.413 3.105 0 40 DGAB CCN(C(=O)N1CCC(Cc2nc(C(C)C)n[nH]2)CC1)C(C)C 585138052 LCIRFKREOHGKRY-UHFFFAOYSA-N 321.469 3.033 0 40 DGAB Cc1c[nH]nc1[C@@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 585182125 XEPSXSCGSKUFGU-CQSZACIVSA-N 322.412 3.148 0 40 DGAB COc1cccc(CN2CCC[C@H](Cc3noc(C)n3)C2)c1C 929512893 MPOFXLBSYQDTBG-OAHLLOKOSA-N 315.417 3.150 0 40 DGAB Cc1noc2ncc(NC(=O)Cc3nc(C4CC4)cs3)cc12 1584041115 RYOHZUBSORJSDE-UHFFFAOYSA-N 314.370 3.046 0 40 DGAB CC(=O)Nc1nc([C@@H]2CCCCN2Cc2coc(C)n2)cs1 2037838323 DILPBVOPQYLRPE-AWEZNQCLSA-N 320.418 3.125 0 40 DGAB Cc1ccccc1N1CCN(Cc2cccc(C(=O)O)c2)CC1 267039 AEJOJPTZMCFRAK-UHFFFAOYSA-N 310.397 3.015 0 40 DGAB COc1cc(C)c(Cl)c(C)c1S(=O)(=O)N1CCCCC1 384572 FAIZOGRCZOYLPX-UHFFFAOYSA-N 317.838 3.140 0 40 DGAB CC(C)C(=O)Nc1cccc(N2C(=O)c3ccccc3C2=O)c1 570386 DJGOKLJWUQQJKH-UHFFFAOYSA-N 308.337 3.082 0 40 DGAB COc1ccc(O)c(C(=O)OCc2nc3ccccc3s2)c1 4951618 ATIIDAKVXCKSKB-UHFFFAOYSA-N 315.350 3.368 0 40 DGAB CCC(=O)Nc1ccc(C(=O)CSc2nnc(C)s2)cc1 5054096 ZPHLRFNHOGMWQM-UHFFFAOYSA-N 321.427 3.170 0 40 DGAB NC(=O)c1ccccc1NC(=O)c1c(Cl)cccc1Cl 5678866 GGBUXFXHSBSARI-UHFFFAOYSA-N 309.152 3.345 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 5793814 LGACXVYQLUHXOK-KKUMJFAQSA-N 301.386 3.148 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=O)c1ccc(Cl)cc1 6170660 CXWZWXHYBJLRGO-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB Clc1ccc(COc2ccccc2CNc2nnn[nH]2)cc1 6414125 IGVAWQYYIVXARE-UHFFFAOYSA-N 315.764 3.044 0 40 DGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)Nc1cccc2c1CCCC2 6668203 WBBPHNRIFMXEQZ-CABCVRRESA-N 301.386 3.395 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1cc(F)cc(F)c1)S[C@H](C)C(=O)N2 6678394 NVSAFTNDXQICEY-JMCQJSRRSA-N 309.341 3.160 0 40 DGAB Cc1ccc(-c2nnc(Cn3c(=O)sc4ccccc43)o2)cc1 6719744 UYTSHRBGCKCZED-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)N2c3ccccc3C[C@H]2C)s1 7192801 JGTULEFFCMSNBB-NXEZZACHSA-N 319.455 3.305 0 40 DGAB C[C@H]1CCc2ccccc2N1CC(=O)Nc1ccc2c(c1)OCO2 7619140 RMOFOLRIQKGYQM-ZDUSSCGKSA-N 324.380 3.195 0 40 DGAB COC(=O)c1ccc(C(=O)Nc2cc(Cl)ccc2OC)cc1 7655442 ACLSZJLJDGFSBS-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12 7669920 WALBHTZRFLSKRE-WFASDCNBSA-N 324.833 3.041 0 40 DGAB C[C@H](Oc1ccc2c(c1)OCO2)C(=O)NC1CCCCCC1 8156956 CTJAOMDQOQVBJQ-LBPRGKRZSA-N 305.374 3.022 0 40 DGAB O=C(NCCCn1ccnc1)c1ccc(-c2ccccc2F)o1 8233041 TYOOGSUVATUMAJ-UHFFFAOYSA-N 313.332 3.102 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccccc2C)cc1 9368044 CEVRZSYHTBCQAD-ZDUSSCGKSA-N 311.385 3.393 0 40 DGAB COc1ccc(C(=O)Nc2cccc(Br)c2)cn1 9690024 KBZWKIRDKMVXPE-UHFFFAOYSA-N 307.147 3.105 0 40 DGAB Cn1ccnc1[C@H](NC(=O)c1ccsc1)c1ccc(F)cc1 12531652 KZLPBAPRYUTDPJ-CQSZACIVSA-N 315.373 3.140 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1ccc2[nH]cnc2c1 12547327 WYSDHQZKYILZPP-UHFFFAOYSA-N 324.365 3.209 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)COC(=O)c2ccc(Cl)cc2)C1 12660096 JOBJAPNZHWNASZ-TXEJJXNPSA-N 309.793 3.001 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@H]2CCc3ccccc32)cc1 12867524 BLVRLCLXAKMWDX-SFHVURJKSA-N 309.365 3.072 0 40 DGAB Cc1nc(-c2cc(C(=O)NCc3ccccc3)n(C)c2)cs1 12876830 FAPMUUDXLIRRKL-UHFFFAOYSA-N 311.410 3.387 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)NC(=O)[C@@H](C)S2)c1ccco1 14183530 ZWCFGZBVQSFILG-VHSXEESVSA-N 316.382 3.203 0 40 DGAB O=c1c2ccccc2nc2sc(CCc3ccccc3)nn12 17031565 OCPMKRQCQYIWLX-UHFFFAOYSA-N 307.378 3.089 0 40 DGAB CC(C)[C@@H](C)NC(=O)c1ccc(I)cc1 17055086 JFVFBURAOMAOPL-SECBINFHSA-N 317.170 3.066 0 40 DGAB O=c1c2ccccc2cnn1Cc1coc(-c2cccs2)n1 19296402 BTILTNCOZLVDDI-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@@H](Cc2ccccc2)C1 19370540 YSYCOCPZUZNEQX-ZWKOTPCHSA-N 301.430 3.427 0 40 DGAB CSc1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 20487044 PAVBBTWKCJLENN-UHFFFAOYSA-N 311.403 3.026 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCC[C@@H]1c1ccccc1 22551200 NFVONGAGCCXWAP-IENJSVCTSA-N 309.413 3.414 0 40 DGAB Cc1nnc([C@@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)s1 23140582 KPEUZVXXHMTWFY-LLVKDONJSA-N 323.368 3.145 0 40 DGAB O=C(CC[C@@H]1Cc2ccccc2NC1=O)OC1CCCCC1 23362223 OJWVHUNOLNXSKL-CQSZACIVSA-N 301.386 3.454 0 40 DGAB O=C(CN1CCCc2ccccc21)N1CCc2ccccc2C1 23693319 BMDBLURWIWSDMG-UHFFFAOYSA-N 306.409 3.024 0 40 DGAB COCc1cccc(NC(=O)c2cc(OC)cc(OC)c2)c1 25334890 JGKSRMSSAJYZBT-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB Cc1cnc(NC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)s1 27975363 JVCBJPLODJATSW-NSHDSACASA-N 302.399 3.346 0 40 DGAB COC(=O)c1ccc(CN[C@@H](C)c2ccc(OC)c(F)c2)cc1 32806016 LPIUXADZGWPPLD-LBPRGKRZSA-N 317.360 3.472 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCC[C@@H](OCC(F)(F)F)C1 32818381 QPULVRIBNTUDFQ-GHMZBOCLSA-N 305.296 3.208 0 40 DGAB CCOCCS[C@H](C)c1nc(N)nc(Nc2ccccc2)n1 32863423 QSYSXMGNKVBFFT-LLVKDONJSA-N 319.434 3.028 0 40 DGAB Cc1nn(C(=O)c2ccccc2)c(C)c1NC(=O)c1ccccc1 36640169 JNTCCYDXWZUMFI-UHFFFAOYSA-N 319.364 3.441 0 40 DGAB CC(C)(C)NC(=O)[C@@H]1CCCN(Cc2ccc(Cl)cc2)C1 38832337 FMMQXCVWFQZAGL-CQSZACIVSA-N 308.853 3.467 0 40 DGAB CCc1ccc(Cn2nccc2NC(=O)c2ccncc2)cc1 39995609 LMHULRCCARQPQJ-UHFFFAOYSA-N 306.369 3.141 0 40 DGAB Cc1nc2ccc(C(=O)N[C@H](C)c3ccccn3)cc2nc1C 40464666 DHKCYASWJUZCLC-CYBMUJFWSA-N 306.369 3.133 0 40 DGAB CCCCNC(=O)N1CCCC[C@H]1c1nc(CC(C)C)no1 41123414 ALGWCVQEASVXJP-ZDUSSCGKSA-N 308.426 3.305 0 40 DGAB O=C(NC[C@H]1Cc2ccccc2O1)N1CC[C@H]1c1ccccc1 46875858 GHWIMRQGDQUYSJ-SJORKVTESA-N 308.381 3.147 0 40 DGAB C[C@@H](Cn1ccnc1)NC(=O)c1cc(C2CC2)nc2ccccc12 47265064 COPKNOQBFXSBRV-ZDUSSCGKSA-N 320.396 3.127 0 40 DGAB O=C(Nc1ccc(C(=O)N2CCCCCC2)cc1)N1CCCC1 48098425 ATCVLSQIMZRTSU-UHFFFAOYSA-N 315.417 3.331 0 40 DGAB CC[C@@H](Nc1nccc(-c2c(C)nn(C)c2C)n1)c1ccncc1 48246292 RIYWTUYRQLMPSH-OAHLLOKOSA-N 322.416 3.452 0 40 DGAB CSCc1nnc(SCc2cn3cc(C)ccc3n2)o1 48425540 ZZYYUFUXEGJNJL-UHFFFAOYSA-N 306.416 3.181 0 40 DGAB O=C(NCCc1ccsc1)c1cc(-c2ccc(F)cc2)n[nH]1 49511799 YMSVCAZICPSTDP-UHFFFAOYSA-N 315.373 3.250 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1cc(Cl)ccc1F 50921384 OJWURUYENRQOGG-NSHDSACASA-N 313.756 3.339 0 40 DGAB CCn1ccc2cc(NC(=O)[C@@H](C)OC[C@@H]3CCCO3)ccc21 51385720 HMCAIAZGYXSEPJ-CJNGLKHVSA-N 316.401 3.184 0 40 DGAB CN(Cc1nnc(-c2ccccc2Br)o1)CC1CC1 52106531 FGAIIVSRZXRQQW-UHFFFAOYSA-N 322.206 3.341 0 40 DGAB CCOc1ccccc1CNC(=O)CCc1ccccc1F 53163573 MEQWKAOLBXFOLC-UHFFFAOYSA-N 301.361 3.473 0 40 DGAB CCN1C(=O)C(C)(C)c2cc(NC(=O)c3ccoc3C)ccc21 57280422 XAUYDHUOJAFRBH-UHFFFAOYSA-N 312.369 3.484 0 40 DGAB Cc1cccc(OCCNC(=O)CSCc2ccccc2)c1 60568358 ZPRFQTMMIXMESD-UHFFFAOYSA-N 315.438 3.423 0 40 DGAB COc1c(CN[C@@H]2CCc3cc(F)ccc32)c(C(C)C)nn1C 65474753 PANKVWGJRXDPEI-MRXNPFEDSA-N 317.408 3.468 0 40 DGAB CCOc1cccc2c1OCC(=O)N(c1ccc(OC)cc1)C2 67323824 OKXXRUDACMNIDT-UHFFFAOYSA-N 313.353 3.020 0 40 DGAB C[C@@H](NC(=O)NCc1cccc2cccnc12)c1cccnc1 68885891 HWTMZVJLFDTXGI-CYBMUJFWSA-N 306.369 3.190 0 40 DGAB Cn1cnnc1SCc1cc(-c2ccc(Cl)cc2)no1 69462238 ODYJDWIMSYIIBK-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)c2ccc3cc[nH]c3c2)C1 69742317 VIYLRWIABNVFQC-INIZCTEOSA-N 308.385 3.150 0 40 DGAB Cn1c(Cl)cnc1COC(=O)c1csc(-c2ccoc2)n1 69846094 OMXUVOWCOWEHAS-UHFFFAOYSA-N 323.761 3.147 0 40 DGAB CCn1nc(C)cc1C(=O)N[C@H](C)c1nc2c(s1)CCCC2 71896309 JVJCSBPEGDCELP-LLVKDONJSA-N 318.446 3.038 0 40 DGAB Cc1cc(N2CCN(C(C)C)CC2)ncc1C(=O)c1ccccc1 72223704 NCPKTYMLJHYEPB-UHFFFAOYSA-N 323.440 3.151 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccc(C)c(C)c2)s1 72333992 ZLXWOXGPSNLBTB-UHFFFAOYSA-N 317.410 3.147 0 40 DGAB Cc1ccc(CN(C)C(=O)[C@H]2CCN(C3CCCCC3)C2)o1 75093389 MCKBQIMHNHAMGD-HNNXBMFYSA-N 304.434 3.201 0 40 DGAB O=S(=O)(Nc1cc(Cl)ccn1)c1ccc2c(c1)CCC2 75104914 JWEHPQNVDFPESX-UHFFFAOYSA-N 308.790 3.025 0 40 DGAB O=C(N[C@@H]1CCc2ccccc21)c1ccc(-c2ccco2)[nH]c1=O 75124857 OELPHFFRPNXMCT-OAHLLOKOSA-N 320.348 3.052 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 75387522 PDLATOHQVOOIDP-OCCSQVGLSA-N 301.390 3.418 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(Br)c(F)c1 76082029 WCGIVLCQMLUBAY-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB COc1ccc([C@H](C)CCNC(=O)N2CCC(OC)CC2)cc1 76087261 VVGSEQWZFYVINJ-CQSZACIVSA-N 320.433 3.009 0 40 DGAB CCc1nnc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)s1 78942657 GCZWVEHMVNLSBU-YUMQZZPRSA-N 307.341 3.408 0 40 DGAB CC(C)c1cc(CNC(=O)NCCSc2ccccc2)on1 79349189 UBNPQNMCUDNTHA-UHFFFAOYSA-N 319.430 3.390 0 40 DGAB COC(=O)CN(C(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C)c1ccccc1 84670923 UROFLUGCQFSDRE-NVXWUHKLSA-N 315.413 3.431 0 40 DGAB Cn1nc(CNC(=O)c2ccc(Cl)s2)cc1-c1ccco1 85471321 PBIWNHKUWHBGTQ-UHFFFAOYSA-N 321.789 3.325 0 40 DGAB COc1ccc(NC(=O)NC2(C)Cc3ccccc3C2)c(C)n1 92076760 AVMUGJJQHUNYMZ-UHFFFAOYSA-N 311.385 3.078 0 40 DGAB Cc1c(NCc2ccco2)cccc1C(=O)N1CCSCC1 95428889 DCNSCPMMXNCCHP-UHFFFAOYSA-N 316.426 3.389 0 40 DGAB Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(F)c1F 95977888 NZLBFUOHCURTHK-ZDUSSCGKSA-N 305.328 3.282 0 40 DGAB O=C1OC(c2ccc(F)cc2)=N/C1=C/c1ccc(F)c(F)c1 96019635 OZXMXIASTWLZFM-RIYZIHGNSA-N 303.239 3.448 0 40 DGAB O=C1C[C@@H]2[C@H](CCN2Cc2ccc(F)cc2)N1c1ccsc1 96055731 WJQCFYLJDSIQQN-JKSUJKDBSA-N 316.401 3.267 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)NC[C@@H](C)Cc1cccs1 96439796 MJXIXFWRXGLPMO-NWDGAFQWSA-N 320.462 3.029 0 40 DGAB CN(CC1CCC1)C(=O)c1ccc(-c2nc(C3CC3)n[nH]2)cc1 96452095 PAMJPYMPCBGBAM-UHFFFAOYSA-N 310.401 3.221 0 40 DGAB CCc1nc([C@H](C)NCC(=O)Nc2cccc(F)c2)cs1 97112234 UYSNCPJSUVQBGU-JTQLQIEISA-N 307.394 3.134 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C=CC4C=C[C@H](C43)[C@H]21 101138520 QWWBXFAHVQNSFL-HZKDSIJFSA-N 302.009 3.337 0 40 DGAB CCSc1ccccc1NC(=O)N1CC[C@H](N2CC=CC2)C1 102716731 MGUDQNSNNADFOD-AWEZNQCLSA-N 317.458 3.277 0 40 DGAB C[C@@H]1CCN(c2ncnc3nc(N)ccc23)[C@@H](c2ccco2)C1 195551506 BUSQIXYUBXNQQD-DGCLKSJQSA-N 309.373 3.178 0 40 DGAB CC(C)NC(=O)CCc1nc(-c2cccc3ccccc23)no1 225826895 ICOSVROLKAXCPP-UHFFFAOYSA-N 309.369 3.347 0 40 DGAB CC[C@H]1CCCCN1c1nn(-c2ccc(C)cc2)nc1C(=O)O 256048142 RAKKHJNRIKAKRA-ZDUSSCGKSA-N 314.389 3.043 0 40 DGAB FC(F)(F)c1cccc(OCc2cc([C@@H]3CCNC3)n[nH]2)c1 257317122 VIMKHTSIIXNHTL-SNVBAGLBSA-N 311.307 3.084 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2C(=O)C[C@@]2(C)CCC[C@H]12 257346297 XQLFKXBNBBSWOD-UMRRRBGBSA-N 304.430 3.138 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1C[C@H]2CC[C@H]1C2 260801815 NTUPIDBSZLTFNM-MJVIPROJSA-N 313.319 3.389 0 40 DGAB Cn1cc([C@@H]2CCCCN2C(=O)Cc2ccccc2Cl)cn1 341763846 OWYPIROHYRHWHE-INIZCTEOSA-N 317.820 3.370 0 40 DGAB C[C@H]1CCCN1Cc1cccc(-c2ccc3ncnc(O)c3n2)c1 521398601 TWNZUYWFJKNRIK-ZDUSSCGKSA-N 320.396 3.382 0 40 DGAB Cc1ccc(NC(=O)N2CCC[C@@]2(C)CO)cc1-c1ncco1 546144936 NXMPLRDKVRCZDX-KRWDZBQOSA-N 315.373 3.029 0 40 DGAB COC(=O)Cc1c(C)nc(-c2cccc(Cl)c2)nc1Cl 584904606 RSTDIRHGOKCGGZ-UHFFFAOYSA-N 311.168 3.474 0 40 DGAB CNC(=O)[C@]1(Cc2ccc(-c3cccc(C)c3)cc2)CCCN1 953030393 RDIZYXCBABGNRZ-HXUWFJFHSA-N 308.425 3.073 0 40 DGAB C[C@@H]1CNCC[C@@]1(O)Cc1cc(Br)ccc1Cl 1083806346 LHXQBGDHULMXHE-NOZJJQNGSA-N 318.642 3.006 0 40 DGAB Cc1nc(Nc2ccc(S(C)(=O)=O)cc2)cc(C2CCC2)n1 1888876151 QHKQIQOYCLIJOK-UHFFFAOYSA-N 317.414 3.200 0 40 DGAB Cc1nc(CN2CCC[C@@H](COc3nccs3)C2)cs1 2298183942 WSAIGNKKNTVMIX-GFCCVEGCSA-N 309.460 3.199 0 40 DGAB COc1ccc(NC(=O)COC(=O)c2ccc(C)c(C)c2)cc1 148385 XPPHVKVJOSOKHL-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB CCc1cc2c(N[C@@H](C(=O)O)[C@@H](C)CC)nc(C)nc2s1 572979 CUXKTIBIQATDCJ-QPUJVOFHSA-N 307.419 3.473 0 40 DGAB COc1nc(C)nc2c1sc1nc3c(cc12)COC(C)(C)C3 545948 JXSLJTQIENJDRI-UHFFFAOYSA-N 315.398 3.408 0 40 DGAB CCn1nc(C)c(NC(=O)Nc2ccn(-c3ccccc3)n2)c1C 78936500 XDXSGTVLBPEBGU-UHFFFAOYSA-N 324.388 3.350 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N[C@H](C)c1cccnc1)CO2 47751532 NOENLBAWACKULE-CYBMUJFWSA-N 324.380 3.134 0 40 DGAB C[C@@H]1CN(Cc2ccco2)C(=S)N(c2ccccc2)C1=O 2044956 YZNHPDKURAUZKC-GFCCVEGCSA-N 300.383 3.049 0 40 DGAB O=C(c1cc(-c2ccccc2)nn1-c1ccccc1)N1CCC1 3454435 UASQEYZUVLJDKP-UHFFFAOYSA-N 303.365 3.385 0 40 DGAB COC(=O)c1ccccc1NC(=S)Nc1ccc(F)cc1 3119259 PKBZTUYCHLPHJG-UHFFFAOYSA-N 304.346 3.421 0 40 DGAB CN(C)c1snnc1C(=O)Nc1c(Cl)cccc1Cl 1416871 SBMBQMOWEPVIMD-UHFFFAOYSA-N 317.201 3.163 0 40 DGAB CCCN1C(=O)S/C(=C/c2ccc(O)c(OCC)c2)C1=O 6656706 HWEBAJAVGYJROG-UKTHLTGXSA-N 307.371 3.237 0 40 DGAB COc1cc2ccccc2cc1C(=O)Nc1ccc(C(N)=O)cc1 7770585 PWVKNTWPEBQUNT-UHFFFAOYSA-N 320.348 3.200 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)OCC(F)(F)F)ccc12 57217504 PLKKCAVIEHUKIH-UHFFFAOYSA-N 301.220 3.212 0 40 DGAB in-vitro C[C@H](NCc1nccc(N)n1)c1nc(-c2ccccc2)cs1 97112162 WALJMUSSORBJPN-NSHDSACASA-N 311.414 3.033 0 40 DGAB Cc1csc(NC(=O)CN2CCC[C@H]2c2cccc(F)c2)n1 58166855 ITQNGQCJFVTNNG-AWEZNQCLSA-N 319.405 3.366 0 40 DGAB CCNC(=O)c1cc(-c2ccccc2)c(N2CCOCC2)s1 57960328 VLEHFTOZSCAMIG-UHFFFAOYSA-N 316.426 3.001 0 40 DGAB CCCCNC(=O)C[S@](=O)Cc1cccc2ccccc12 58155713 BQBRUWMXGIMWLM-NRFANRHFSA-N 303.427 3.005 0 40 DGAB CCCCOCCCNC(=O)COc1c(C)cc(C)cc1C 58163834 SGCYFOMBOLISBL-UHFFFAOYSA-N 307.434 3.314 0 40 DGAB COC(=O)C1CCN(C(=O)/C=C/c2ccc(C)c(Cl)c2)CC1 44866396 PHXHUCUDGDKECM-AATRIKPKSA-N 321.804 3.073 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(Cl)cc2F)cc1 9993169 KMAUDMYVUBGTIQ-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Cn1ncc2c(N3CCCC3)nc(NC3CCCCCC3)nc21 36360694 LCKZWPQNRZWRNH-UHFFFAOYSA-N 314.437 3.098 0 40 DGAB COc1ccc([C@H](Nc2nc(C)cc(C)n2)c2nccn2C)cc1 29431064 YONUHKLQJQGKOP-INIZCTEOSA-N 323.400 3.037 0 40 DGAB CCONC(=O)C1=NN(c2ccccc2)[C@@H](c2ccccc2)C1 29441205 UMWQWJNITHPPCB-QGZVFWFLSA-N 309.369 3.062 0 40 DGAB C[C@H](c1nc(C(C)(C)C)no1)S(=O)(=O)Cc1ccccc1 46172676 QOPQTIIXYXGXLF-LLVKDONJSA-N 308.403 3.043 0 40 DGAB O=C(COc1ccccc1)Nc1nc(-c2ccccc2)ns1 11916368 ZWKPIMUPWPXMGG-UHFFFAOYSA-N 311.366 3.223 0 40 DGAB c1ccc(-c2nnc3sc(-c4c[nH]c5ccccc45)nn23)nc1 12389909 XNURNDILJNXYOE-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB O=C1NC2(CCCCCC2)C(=O)N1Cc1cccc(Cl)c1 3258950 ADQYYEUURGWESP-UHFFFAOYSA-N 306.793 3.485 0 40 DGAB O=C(NCCc1cccc(F)c1)Nc1ccccc1-n1cccn1 48150901 MPADDXUMVXWJEJ-UHFFFAOYSA-N 324.359 3.376 0 40 DGAB C[C@@H](NC(=O)c1cc(=O)[nH]c2ccccc12)c1ccccc1F 12785730 GCXYQQKJNKSBCZ-LLVKDONJSA-N 310.328 3.158 0 40 DGAB Cc1sc2nc(-c3cccs3)nc(N(C)CCO)c2c1C 12752967 OMYICTZKDPXNTQ-UHFFFAOYSA-N 319.455 3.465 0 40 DGAB COc1cccc(C(=O)NCc2coc(-c3cccs3)n2)c1 12799009 CIWMEJBZSPUWPL-UHFFFAOYSA-N 314.366 3.342 0 40 DGAB Cc1cccc(NC(=S)Nc2ccc3[nH]c(=O)[nH]c3c2)c1C 3354534 RREDWCRFUQGSGV-UHFFFAOYSA-N 312.398 3.282 0 40 DGAB Cc1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cn2)s1 3384629 ARMDJGYGNZWZBF-SECBINFHSA-N 324.789 3.289 0 40 DGAB CSc1ccc(CN(C)CC(=O)NCc2ccccc2)cc1 3345570 JUKIRNRZAOGYJX-UHFFFAOYSA-N 314.454 3.157 0 40 DGAB O=C(CCc1ccc(Cl)cc1)NCc1ccc2c(c1)OCO2 10744575 XXMNBOXDEIKUBS-UHFFFAOYSA-N 317.772 3.318 0 40 DGAB Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(Cl)cn2)c1 3442944 NMOLWZNTOKTRLF-NSHDSACASA-N 318.760 3.227 0 40 DGAB COc1ccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12995048 DXZZVGXFSXAKAK-LJQANCHMSA-N 324.424 3.147 0 40 DGAB Cc1ccc(CNC(=O)c2cn(-c3ccc(C)c(C)c3)nn2)cc1 38651934 BGDDMPSIRCYURK-UHFFFAOYSA-N 320.396 3.123 0 40 DGAB COc1cc(OC)nc(Oc2cccc(C(F)(F)F)c2)n1 4106751 BNZGNGYNEDTZIC-UHFFFAOYSA-N 300.236 3.305 0 40 DGAB Cc1ccc(OCC(=O)N[C@H]2CCOc3ccccc32)c(C)c1 39975954 PPTMWFWDUBPKGS-INIZCTEOSA-N 311.381 3.322 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2ccc3c(c2)CCC3)c1 5243879 FLOCWVQTNQBOBE-UHFFFAOYSA-N 311.381 3.374 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)NCc1ccc(CN(C)C)cc1 14199053 NUEDTLJNGPQCND-UHFFFAOYSA-N 321.424 3.468 0 40 DGAB Cc1ccc(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)cc1C 6500314 YPKFTZGYKGHNFV-AWEZNQCLSA-N 303.402 3.298 0 40 DGAB COc1ccccc1CN1Cc2cc(Cl)ccc2OCC1=O 65184370 RNMBGDKXXHWCFP-UHFFFAOYSA-N 317.772 3.270 0 40 DGAB C[S@](=O)c1ccc(C(=O)N(C2CCCCC2)C2CC2)cc1 66321002 ZDGRVUYLMXONOC-OAQYLSRUSA-N 305.443 3.361 0 40 DGAB COC(=O)c1cc(C)sc1NC(=S)NC1CCCCC1 6825593 NPDDPSZWNHAASS-UHFFFAOYSA-N 312.460 3.462 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)N1CCCCCCC1 7221379 UFSHUUDDDSFTDZ-UHFFFAOYSA-N 303.431 3.448 0 40 DGAB COc1cc(F)ccc1NC(=O)N[C@@H](C)c1c(C)nn(C)c1C 67664261 QXZSWQIEZDYKLD-VIFPVBQESA-N 320.368 3.067 0 40 DGAB CC[C@@H](CC1CCCCC1)C(=O)NCc1nnc2ccccn12 74687449 PYWWWKZNRMCURE-HNNXBMFYSA-N 314.433 3.342 0 40 DGAB COCC(=O)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 69464078 IATSXCDXAGXLIZ-ZDUSSCGKSA-N 301.308 3.405 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccc(F)cc3)N3N=CNC3=N2)cc1 17145446 RBNAHZPTLPAGRE-QGZVFWFLSA-N 306.344 3.434 0 40 DGAB Cc1ccc(CN(C(C)C)S(=O)(=O)[C@@H](C)C(F)(F)F)o1 96502933 LBEKEAVZQDHWQU-JTQLQIEISA-N 313.341 3.079 0 40 DGAB Cc1ccc([C@@H]2C[C@H]2C(=O)N2CCC[C@@H]2Cn2cccn2)s1 69967373 SMUMZBIFPBRUJO-RBSFLKMASA-N 315.442 3.048 0 40 DGAB COc1cccc(CN(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)c1 8744719 RKFZLQLKVPAZCP-UHFFFAOYSA-N 314.385 3.115 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](C(=O)Nc2ccccc2)C1 96748284 SFONCSRRVMNMHT-CYBMUJFWSA-N 304.390 3.272 0 40 DGAB Cc1cc(NCc2ccn(-c3ccc(F)cc3)n2)ccc1C(N)=O 97048067 LFWFLUCXKHECKW-UHFFFAOYSA-N 324.359 3.031 0 40 DGAB CCc1oc(C(=O)Nc2ccc([S@@](C)=O)c(F)c2)cc1C 97032067 WVBCJQZCXUFKEO-NRFANRHFSA-N 309.362 3.279 0 40 DGAB COc1cc(F)cc(NC(=O)Nc2ccc([S@](C)=O)cc2)c1 89423853 VHRGIWRCDZCVET-JOCHJYFZSA-N 322.361 3.216 0 40 DGAB Cc1ncsc1CNC(=O)N(C1CC1)[C@H](C)c1ccco1 86393343 JLORUQCRNUWMSP-LLVKDONJSA-N 305.403 3.480 0 40 DGAB Cc1cccc2c1N(C(=O)c1ccc(-n3ccnn3)cc1)CCC2 89747519 UANHTBSCKVPVEJ-UHFFFAOYSA-N 318.380 3.169 0 40 DGAB C[C@H]1CCN(Cc2nnc(-c3ccc(Br)cc3)o2)C1 75582091 WPVINJCSSZSCCN-JTQLQIEISA-N 322.206 3.341 0 40 DGAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H]1C[C@H]1C 76018083 CLQDMMTZLAMKGV-YMTOWFKASA-N 317.389 3.081 0 40 DGAB Cc1cc(-c2nc([C@H]3CCO[C@@H](C)C3)no2)c2c(C)noc2n1 547219759 IVHXPDAIMWFIED-ONGXEEELSA-N 314.345 3.172 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2c(F)cccc2F)c1 30864274 NAPQRRQDBZEPTP-JTQLQIEISA-N 307.296 3.379 0 40 DGAB CCOC(=O)Oc1ccc2oc(C)c(C(=O)OCCOC)c2c1 2396610 ZLGSCYHHHPKEHP-UHFFFAOYSA-N 322.313 3.080 0 40 DGAB biogenic COc1ccc(-c2nnc3n2N[C@@H](c2ccccc2)S3)cc1 3843143 AOJQVZPYOSQJAE-OAHLLOKOSA-N 310.382 3.302 0 40 DGAB biogenic Cc1ccc(-c2noc([C@H]3CC(=O)N(Cc4ccco4)C3)n2)cc1 38671137 QNASOJDDMQWKMF-AWEZNQCLSA-N 323.352 3.154 0 40 DGAB Cn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2Cl)cn1 74716978 ORVVMJNESQJFRI-UHFFFAOYSA-N 303.671 3.345 0 40 DGAB O=C(O)c1occc1CN1CCO[C@H](c2ccc(Cl)cc2)C1 564669520 PSVFKHNKQOMZLB-AWEZNQCLSA-N 321.760 3.205 0 40 DGAB Cc1ccc(Oc2ccc(C(=O)NC[C@@H]3CCCO3)o2)cc1 72260097 JXROERWATSLMMT-AWEZNQCLSA-N 301.342 3.289 0 40 DGAB CCc1ccc(-c2cc(NC(=O)[C@@H](C)n3ccnc3)on2)cc1 79099383 WIJGNMXAYCXEBM-GFCCVEGCSA-N 310.357 3.300 0 40 DGAB CCCO[C@@H]1CCCN(Cc2ccc(C(=O)O)cc2F)CC1 565103960 MOJXCVKKOTYHMO-OAHLLOKOSA-N 309.381 3.305 0 40 DGAB Cc1cc(C)nc(SCc2ccc(C(=O)NC(C)C)o2)n1 79486435 MICBGIZIVJHUFG-UHFFFAOYSA-N 305.403 3.117 0 40 DGAB Cc1ccc2c(c1)[C@@H](NCCCOC1CCOCC1)[C@H](C)C2 180916513 BBRCFXIZYHQPPB-BEFAXECRSA-N 303.446 3.404 0 40 DGAB CCOC(=O)c1ccccc1Nc1cc(N)nc(SCC)n1 49467532 MIIYCFVLJPXRPK-UHFFFAOYSA-N 318.402 3.091 0 40 DGAB CC(C)(C)[C@@H](Cn1ccnc1)NC(=O)c1scnc1C1CC1 195546680 CPYYQNFVOZOVDL-GFCCVEGCSA-N 318.446 3.062 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NC[C@H](C)c1ccccc1 224600437 ICHMLGRFWRSRGJ-GJZGRUSLSA-N 313.397 3.382 0 40 DGAB O=C(c1cccc2c(Br)cccc12)N1CCOCC1 41127292 LPYGSGVWHKFZHN-UHFFFAOYSA-N 320.186 3.075 0 40 DGAB Cc1ccccc1CNC(=S)Nc1ccc2c(c1)OCO2 225308737 IFVNUOKONADRQC-UHFFFAOYSA-N 300.383 3.210 0 40 DGAB CC[C@@H](C)Cc1c(C)sc2nc(-c3ccncn3)[nH]c(=O)c12 225566349 VZSNWAIHFPHMOM-SECBINFHSA-N 314.414 3.339 0 40 DGAB COC(=O)C[C@H](NC(=O)c1cccc(Cl)c1Cl)C1CC1 84822994 PFNPYVMTLPNVQZ-NSHDSACASA-N 316.184 3.065 0 40 DGAB c1ccc(CN2CC[C@H](OCC3CC3)[C@@H]2Cc2ccncc2)nc1 96200782 MHBPNDQUINLXBB-PMACEKPBSA-N 323.440 3.089 0 40 DGAB CC(C)(C)Cc1nc2cc(NC(=O)N3CC[C@H](O)C3)ccc2o1 96434777 BOMUNEFBSYCYIF-LBPRGKRZSA-N 317.389 3.015 0 40 DGAB CCO[C@H]1C[C@@H](N(C)Cc2nc(C3CC3)no2)C12CCCC2 96419734 RDOCECRLELIADK-KGLIPLIRSA-N 305.422 3.117 0 40 DGAB COCc1nn(C(C)C)c2c1CCN(Cc1ccsc1)C2 96058979 RGBLWLSJRPODPR-UHFFFAOYSA-N 305.447 3.230 0 40 DGAB COC[C@H]1CN(Cc2ccsc2)Cc2c1cnn2CC1CC1 96197916 ODOXGGJTSFGEKH-OAHLLOKOSA-N 317.458 3.100 0 40 DGAB Cc1ccc(Cc2nc([C@H](C)CC(=O)OC(C)(C)C)no2)cn1 585120525 SYOKRGBADDFHIC-LLVKDONJSA-N 317.389 3.199 0 40 DGAB CC(C)(C)c1cc2c(O)nc(-c3cccc(O)n3)nc2s1 585137066 GHCUGYWGSYNSDD-UHFFFAOYSA-N 301.371 3.462 0 40 DGAB CS[C@H](C)Cc1nc(Cc2ccc(-n3ccnc3)cc2)no1 585120522 SVBZIEWJUUTZKB-GFCCVEGCSA-N 314.414 3.140 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](Cc2ccn[nH]2)C1 257247616 IZTTULAWRWMTEV-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Cc1cnc(NC(=O)C2(Cc3ccccc3)CCOCC2)s1 257305522 SQKMVCJETUUWLL-UHFFFAOYSA-N 316.426 3.430 0 40 DGAB COc1ccc(CCC(=O)NC[C@@H](OC)c2ccsc2)cc1 96097392 MGVBHCVNHTVCSO-MRXNPFEDSA-N 319.426 3.193 0 40 DGAB CC(C)CN1CCC[C@]2(CCC(=O)N2Cc2cncs2)CC1 585100032 CTLKWYFZWMQMCP-KRWDZBQOSA-N 321.490 3.146 0 40 DGAB O=C(COc1ccc(F)cc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 1776008986 UNJPQMZEYSOKRK-HOTGVXAUSA-N 301.361 3.448 0 40 DGAB COc1cc(Cl)c(C)cc1N[C@H](C)C(=O)Nc1cc(C)on1 48332070 QGSASLJEZUMDEP-SNVBAGLBSA-N 323.780 3.393 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)CCCc2ccccc2)n1 48325922 RGATZYRWWHRINB-OAHLLOKOSA-N 313.445 3.275 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)C2(c3cccs3)CCCC2)o1 49026804 OJWUPOCSRJDFOH-CYBMUJFWSA-N 319.426 3.311 0 40 DGAB CC[C@@H](Oc1ccccc1F)C(=O)Nc1cccnc1OC 95963580 SDZYSBKQUZUFCM-CYBMUJFWSA-N 304.321 3.025 0 40 DGAB Cc1ccc([C@H]2CCCCN2C(=O)c2ccc3[nH]nnc3n2)cc1 96013701 UIGXAEAMBARBCP-MRXNPFEDSA-N 321.384 3.029 0 40 DGAB CCCSc1nnc(NC(=O)COc2ccccc2)s1 7321714 ZUMXNXMYYLHMCL-UHFFFAOYSA-N 309.416 3.058 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3O2)ccc1OC(C)C 4997917 ZNYOQJDDHBAHQR-GOSISDBHSA-N 313.353 3.303 0 40 DGAB CC1CCN(CCCNC(=O)/C=C/c2ccc(F)cc2)CC1 7077869 SNAZKTDWMJHAHK-VMPITWQZSA-N 304.409 3.077 0 40 DGAB Cn1ncc2c(NCc3ccc(Cl)cc3)nc(Cl)nc21 1718454 JJCLKQAXFKCUHS-UHFFFAOYSA-N 308.172 3.282 0 40 DGAB Cc1ccc(-c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)o2)c(N)c1 226301240 CUIONQAQLBMYLG-BETUJISGSA-N 314.385 3.087 0 40 DGAB Cc1nccn1CC1CN(c2nc3ccc(F)cc3s2)C1 1889149109 KRDXQDGGHDHGOH-UHFFFAOYSA-N 302.378 3.077 0 40 DGAB C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCO[C@H](C)C1 24060492 SNEUEJSGOYDAJH-CVEARBPZSA-N 324.424 3.401 0 40 DGAB COc1ccc(CCN(C)c2nc(C)nc3cnccc23)cc1 2087045638 DRZACLNKVGSRJJ-UHFFFAOYSA-N 308.385 3.021 0 40 DGAB COC(=O)c1sc(=S)n(-c2cccc(Cl)c2)c1N 425162 RTDLNYADILOPHA-UHFFFAOYSA-N 300.792 3.290 0 40 DGAB Cc1cccc(CC(=O)Nc2ccc3c(c2)CCC(=O)N3C)c1 9827733 LBBWTPRLUXNWGC-UHFFFAOYSA-N 308.381 3.085 0 40 DGAB COc1cccc2s/c(=N/C(=O)c3cccc(F)c3)n(C)c12 11853037 FSCWTLAAVAFTIM-FBMGVBCBSA-N 316.357 3.129 0 40 DGAB Cn1cc(Cl)cc1C(=O)Nc1cnc(-c2ccccc2)nc1 40017150 RUINSQBOXCKQJM-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB Cc1ccc(C)c(NC(=O)NCC(=O)Nc2ccc(F)cc2)c1 50034175 IGFWGRFIGUQWJB-UHFFFAOYSA-N 315.348 3.203 0 40 DGAB CN(C)c1cccc(C(=O)Nc2cccc(NC(=O)C3CC3)c2)c1 31135751 VGGBDWYZOZUIDX-UHFFFAOYSA-N 323.396 3.353 0 40 DGAB O=C(Oc1ccc2c(=O)c(Cl)coc2c1)c1ccncc1 149777 JSMBBGQYEKUUJF-UHFFFAOYSA-N 301.685 3.061 0 40 DGAB C[C@H](c1cc2ccccc2o1)N(C)CC(=O)NCc1ccco1 32754445 NSNCVNZUNVEZLB-CYBMUJFWSA-N 312.369 3.335 0 40 DGAB CC(=O)Oc1ccc(/C=C2/N=C(C3CCCCC3)OC2=O)cc1 430532 AXZJZYDAGWVMSD-LFIBNONCSA-N 313.353 3.488 0 40 DGAB O=C(C[C@H]1Nc2ccccc2NC1=O)Nc1ccc(Cl)cc1 83017 YBCUBNBXNGIAPC-CQSZACIVSA-N 315.760 3.101 0 40 DGAB O=C(c1cc(=O)c2ccccc2o1)N1CCCc2ccccc21 189214 HNJRSNVHGFAAFV-UHFFFAOYSA-N 305.333 3.386 0 40 DGAB COc1ccc(Nc2nc(Cl)nc(NC(C)C)n2)c(OC)c1 293740 SKAAGMFSUKFFRY-UHFFFAOYSA-N 323.784 3.106 0 40 DGAB O=C(NCNC(=S)Nc1ccc(Cl)cc1)c1ccccc1 390253 IQKSDBBZFPODSL-UHFFFAOYSA-N 319.817 3.014 0 40 DGAB O[C@]1(c2ccccc2)C[N+]2=C(CCCCC2)N1c1ccccc1 1909512 TURYAWBUPILHGL-FQEVSTJZSA-N 307.417 3.337 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)c1 2660685 ACAPRHIUNFIELU-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB COc1ccc(Nc2nnc(S[C@@H](C)C(C)=O)s2)cc1 3348029 ATKGWXADUUNACS-VIFPVBQESA-N 309.416 3.360 0 40 DGAB COc1ccc(CCC(=O)Nc2nc(C)cs2)cc1OC 3561914 BTXBJPWCGKQYOV-UHFFFAOYSA-N 306.387 3.040 0 40 DGAB Cc1noc(C)c1C(=O)OCC(=O)Nc1cccc2ccccc12 3564853 LUCCIHBLJGGTRB-UHFFFAOYSA-N 324.336 3.240 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 4743716 ICPJEETURVEFIB-HUUCEWRRSA-N 300.446 3.482 0 40 DGAB CC[C@H](C)NC(=O)CSc1ncnc2sc3c(c12)CCC3 5212732 HFRJBVUJPRECBQ-VIFPVBQESA-N 321.471 3.187 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1 5935674 BQJUSNYXFHNFSL-IZZDOVSWSA-N 324.399 3.496 0 40 DGAB CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC)c2C)cc1 6934968 TWNQQBDQNLRBSC-WJDWOHSUSA-N 323.396 3.146 0 40 DGAB Fc1cc(Br)ccc1Cn1nnc2ccccc21 6999355 VAGILWGIMQLDQD-UHFFFAOYSA-N 306.138 3.381 0 40 DGAB O=C(/C=C/c1ccccc1Br)NCc1ccco1 8180757 HTXJDBMRYYHDHA-BQYQJAHWSA-N 306.159 3.372 0 40 DGAB C[C@H](NC(=O)Nc1cccc(C(F)(F)F)c1)[C@H]1CCCO1 8221272 XLOFOCLJKDBQEV-JOYOIKCWSA-N 302.296 3.394 0 40 DGAB CC(=O)c1ccc(O[C@H](C(=O)NC2CC2)c2ccccc2)cc1 8287626 IBQPEAHYQBXWIL-SFHVURJKSA-N 309.365 3.288 0 40 DGAB Cc1ccc2c(CC(=O)N3C[C@H](C)C[C@@H](C)C3)cc(=O)oc2c1 9704772 CXOVAQFVKHWYEF-ZIAGYGMSSA-N 313.397 3.148 0 40 DGAB C[C@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)c1ccccc1 9871536 PVABBGNFDYSIOD-JTQLQIEISA-N 303.745 3.350 0 40 DGAB Cc1ccccc1OCC(=O)Nc1ccc(NC(=O)C2CC2)cc1 10925372 WRXGEBMFHWZZPL-UHFFFAOYSA-N 324.380 3.361 0 40 DGAB O=C(NCCCc1ccccn1)c1cc(C2CCCCC2)no1 12148605 JMCWMYJYACGGQJ-UHFFFAOYSA-N 313.401 3.480 0 40 DGAB CC[C@@H](CC(=O)N[C@@H]1CCCOC1)c1c[nH]c2ccccc12 12194468 QFRKNHBHUSLQMX-UONOGXRCSA-N 300.402 3.347 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1cccc(C)n1 12537808 IOVDKLQJBBKFLB-KRWDZBQOSA-N 321.380 3.293 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCc1ccccc1Cl 12606884 RSAVZKUMORDNPB-UHFFFAOYSA-N 317.772 3.318 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)c1ccc(Br)o1 13391135 SNTYXYRVYSEXSE-UHFFFAOYSA-N 324.130 3.301 0 40 DGAB C[C@@H](NC(=O)c1ccc(F)cc1)c1nc(-c2ccccc2)no1 13495429 VCHAIJGSXCMCEL-LLVKDONJSA-N 311.316 3.367 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cc(-c3ccccc3)on2)c1 13985128 FPDHLRIULJHBHJ-UHFFFAOYSA-N 322.320 3.381 0 40 DGAB Cc1cc(S[C@H](C)C(=O)NCC(F)(F)F)nc(C(C)C)n1 14171780 WAFTZBMDXQNMLW-SECBINFHSA-N 321.368 3.068 0 40 DGAB COC(=O)c1cccc(CNc2ccccc2N2CCCC2=O)c1 14810555 ZAMIYVGJSBJUPP-UHFFFAOYSA-N 324.380 3.212 0 40 DGAB O=C(Cc1cccs1)NCC1(c2ccccc2)CCOCC1 16968859 LRIMQCLTUGXWRK-UHFFFAOYSA-N 315.438 3.155 0 40 DGAB O=C(/C=C/c1ccccc1)Nc1ccc(CN2CCOCC2)cc1 19929059 PJSTUIZLMYTBTM-DHZHZOJOSA-N 322.408 3.171 0 40 DGAB CC(C)c1ccc([C@@H]2CC(=O)C[C@@H](Nc3nonc3N)C2)cc1 19974016 WNICXMLXSSQAHX-KBPBESRZSA-N 314.389 3.093 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)c(C)c1 23024415 VTTTWNCHZPAQPI-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB O=C(NCCCn1ccnc1)c1ccccc1Nc1ccccc1 23238535 RDYXGVKOGWZQCQ-UHFFFAOYSA-N 320.396 3.447 0 40 DGAB COc1ccc2nc(NC(=O)CCc3cccnc3)sc2c1 24761222 MKIYKHLPFBNEJD-UHFFFAOYSA-N 313.382 3.271 0 40 DGAB O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc[nH]c1=O 24926363 FOGVRXDRJAGNCM-MDZDMXLPSA-N 317.348 3.193 0 40 DGAB CC(=O)c1csc(NC(=O)CCc2c[nH]c3ccccc23)n1 25250653 DZLJPYQVOKZRPF-UHFFFAOYSA-N 313.382 3.398 0 40 DGAB Cc1ccc(CC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1 31565501 QLWGWVRLTNXRIA-FQEVSTJZSA-N 322.452 3.318 0 40 DGAB Nc1nc2cc(Br)ccc2n1Cc1ccccc1 32500751 JXOOCLNUQMGBQZ-UHFFFAOYSA-N 302.175 3.429 0 40 DGAB in-vitro Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCC[C@@H]1C 32648172 CREWJHMCTYRKOU-GXSJLCMTSA-N 303.328 3.172 0 40 DGAB Cc1ccc(NC(=O)N2CCN(Cc3ccco3)CC2)cc1C 40095490 GRFFAFUFQYVJHK-UHFFFAOYSA-N 313.401 3.246 0 40 DGAB Cn1c(C(=O)NCCCOCC2CC2)c(Cl)c2ccccc21 41688124 KKFHYIXBAPOJPJ-UHFFFAOYSA-N 320.820 3.378 0 40 DGAB Cn1nnnc1SC(c1ccc(F)cc1)c1ccc(F)cc1 44507882 MKLLIGSJFWRMKT-UHFFFAOYSA-N 318.352 3.370 0 40 DGAB C[C@H](Nc1ncnc2sccc12)c1ccc2[nH]c(=O)[nH]c2c1 47538346 WFVXONOPYGXEPA-QMMMGPOBSA-N 311.370 3.034 0 40 DGAB Cc1ccc(Br)cc1NC(=O)N1CCSCC1 47571122 QRIJQKQYULKHSD-UHFFFAOYSA-N 315.236 3.338 0 40 DGAB Cc1ccc(OCC(=O)N2CCc3sccc3C2)cc1C 54771446 MQLGHNMPVDTVTB-UHFFFAOYSA-N 301.411 3.329 0 40 DGAB O=C(Nc1ccccc1Cn1cncn1)c1ccc(Cl)cc1 55968951 XOLVBMJDCIPBHE-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CN(C)[C@H](CNC(=O)c1nccc2ccccc12)c1ccccc1 60321942 DKPCJHOCLMZEBJ-GOSISDBHSA-N 319.408 3.268 0 40 DGAB Cc1cc(NC(=O)[C@@H](OC2CCCC2)c2ccccc2)n(C)n1 69347934 GNQYXUHAFGCNDM-KRWDZBQOSA-N 313.401 3.368 0 40 DGAB O=C(N[C@@H](c1ccc(F)cc1)C1CCC1)N1CCC(CO)CC1 69415146 CRLBQYBVDHHICR-QGZVFWFLSA-N 320.408 3.081 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2nc(-c3ccsc3)no2)c1 69528922 KFPLDXOTLKRXCA-VXGBXAGGSA-N 317.418 3.042 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@@](=O)Cc1cccc(F)c1 71859101 VOGNTIAYRMQYOE-MCMMXHMISA-N 319.401 3.126 0 40 DGAB Cc1nc(N(C)C)ccc1[C@H]1CCCN1C(=O)c1ccccc1 72218748 PSGKMULVQBQGQR-QGZVFWFLSA-N 309.413 3.433 0 40 DGAB Cc1cccc(CNC(=O)c2cc(C)nc(N3CCCCC3)n2)c1 72239802 NADKBBMCZUBABE-UHFFFAOYSA-N 324.428 3.014 0 40 DGAB O=C(NCc1ccccn1)c1cn[nH]c1-c1cccc(Cl)c1 72328884 WGIPULNVQQQJIG-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB O=C(Nc1ccc2c(c1)CCCO2)Nc1cnn(CC(F)F)c1 72942764 FTDNMCIKVHQBPD-UHFFFAOYSA-N 322.315 3.117 0 40 DGAB O=C(NC[C@H](O)c1ccoc1)c1ccc(-c2ccccc2)cc1 75171732 ICKVGWPLWPCJJE-SFHVURJKSA-N 307.349 3.410 0 40 DGAB C[C@@H](Nc1cc(C(N)=O)ccn1)c1ccccc1C(F)(F)F 78374299 CXBVPVPKFNIQDO-SECBINFHSA-N 309.291 3.372 0 40 DGAB O=C(Nc1cccc(-c2ncc[nH]2)c1)c1cccc2c1OCO2 78823334 BSZBIIDNFWSNFB-UHFFFAOYSA-N 307.309 3.058 0 40 DGAB Cc1ncc(CN2CCC[C@@H](c3noc(C4CC4)n3)C2)s1 78890841 GREGXXLUBANQTP-GFCCVEGCSA-N 304.419 3.092 0 40 DGAB CCn1cc2ccc(NC(=O)CC3(O)CCCCC3)cc2n1 81301251 UYGDFXXXXCFNJQ-UHFFFAOYSA-N 301.390 3.080 0 40 DGAB C[C@@H](NC(=S)NCc1cn2ccsc2n1)c1ccccc1 84656670 JLYDPOXAWDDDRA-LLVKDONJSA-N 316.455 3.121 0 40 DGAB Cc1cc(NC(=O)c2c[nH]nc2-c2ccc(F)cc2)sn1 89608920 HRRBSGFGWBRHHC-UHFFFAOYSA-N 302.334 3.233 0 40 DGAB Cc1n[nH]c(-c2ccc(NCc3cccc4cn[nH]c34)cc2)n1 89708947 IBHXQJKWVQCGOZ-UHFFFAOYSA-N 304.357 3.269 0 40 DGAB CCC(C)(CC)NC(=O)NCC1CCN(c2ccncc2)CC1 91233501 JGWUVQDWWSKTAX-UHFFFAOYSA-N 318.465 3.176 0 40 DGAB O=C(c1cccc(-n2ccc(C(F)(F)F)n2)c1)N1CCCC1 95414449 MDFHMELAIGNQCZ-UHFFFAOYSA-N 309.291 3.127 0 40 DGAB CC(C)(C)c1cnc(SCc2cc(=O)n3ccsc3n2)o1 95416498 WGLIKRDZASCDEA-UHFFFAOYSA-N 321.427 3.334 0 40 DGAB C[C@@H](NC(=O)N1CC[C@H](Oc2cccnc2)C1)c1cccs1 95416752 VCNKPJSXSOWMBC-OCCSQVGLSA-N 317.414 3.067 0 40 DGAB COCc1cccc(C(=O)Nc2ccc(CCC(=O)O)cc2)c1 95425540 IRHJAHCGWSNNBT-UHFFFAOYSA-N 313.353 3.103 0 40 DGAB O[C@@H](c1cccc(Br)c1)c1ccc2c(c1)OCO2 95730228 FMOHSDVYYREUEI-AWEZNQCLSA-N 307.143 3.260 0 40 DGAB Cc1cc([C@@H](C)NCCN2CCC(N(C)C)CC2)c(C)s1 95968934 UVXCWANFYWUVHH-CQSZACIVSA-N 309.523 3.042 0 40 DGAB O=C(c1ccco1)N1CCC(Oc2ncccc2Cl)CC1 96024818 AKKKDQRNZSCRBU-UHFFFAOYSA-N 306.749 3.012 0 40 DGAB CCc1nc([C@H](C)NC(=O)Nc2ccc(OC)nc2C)cs1 96471142 PYIGXWWDSJJHNL-JTQLQIEISA-N 320.418 3.300 0 40 DGAB Cc1ncsc1C(=O)N[C@H]1CCO[C@@H]1c1ccc(Cl)cc1 96490866 KUNYZRBSLDKYDQ-QWHCGFSZSA-N 322.817 3.365 0 40 DGAB C[C@@H](NCC(F)(F)F)c1ccc(NC(=O)NC2CC2)cc1 96491074 AQNUQMBVBIQMOX-SECBINFHSA-N 301.312 3.183 0 40 DGAB CCOC(=O)c1ccccc1N(CC)C(=O)c1ccc(F)cn1 96501921 RIDCNEGQLDMESU-UHFFFAOYSA-N 316.332 3.064 0 40 DGAB O=Cc1c(-c2ccccc2)nn2ccnc(N3CCCCC3)c12 96530815 QKBPYHQWKFMDOQ-UHFFFAOYSA-N 306.369 3.199 0 40 DGAB CCCc1nnc(NCc2nc3cc(Cl)ccc3n2C)o1 97045403 PQPONVRFNCYCQV-UHFFFAOYSA-N 305.769 3.174 0 40 DGAB C[C@H]1[C@@H](C)OCCN1C(=O)Nc1c(F)cc(Cl)cc1F 97048856 YBFDTQPCTWDETA-JGVFFNPUSA-N 304.724 3.259 0 40 DGAB C[C@@H](CNC(=O)Nc1cc(C(C)(C)C)on1)c1nccs1 97113226 LFGFKILKPMMZFU-VIFPVBQESA-N 308.407 3.354 0 40 DGAB COc1cccc(Cl)c1CC(=O)Nc1ccnn1CC1CC1 97142333 VYRNYZKPUORLHI-UHFFFAOYSA-N 319.792 3.136 0 40 DGAB CN1C[C@]2(C)CN(C(=O)c3ccccc3Cl)C[C@@](C)(C1)C2 100509542 AHTJWUMMSUABIS-IAGOWNOFSA-N 306.837 3.144 0 40 DGAB Cc1ccc(N[C@H]2CC(=O)N(c3ccccc3C)C2=O)c(C)c1 101275232 RGOFXRPNRNGYRU-INIZCTEOSA-N 308.381 3.356 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@@H]2[C@@H]3C=C[C@H]([C@H]4C[C@@H]43)[C@@H]2C(=O)O)c1 102073075 YUQSPGRLVDNISK-CDSWZMAWSA-N 311.381 3.011 0 40 DGAB Cc1nn(CCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c(C)c1Cl 102599835 MZLJWZPEGTVBHN-KJEVXHAQSA-N 323.868 3.484 0 40 DGAB Cc1ccc(C2=C[C@@H](c3ccccc3F)n3nnnc3N2)cc1 102794101 JOWVLERWOVKKKP-INIZCTEOSA-N 307.332 3.177 0 40 DGAB COc1ccccc1O[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 113959674 RBHKELQFWKAADQ-QWHCGFSZSA-N 317.360 3.479 0 40 DGAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@@H](C)C2)nc1 225731666 CGDXDCJXESHFJS-GASCZTMLSA-N 320.506 3.044 0 40 DGAB Cc1ccc(N)cc1-c1ccc(C(=O)N2C[C@H](C)O[C@H](C)C2)o1 226301114 SGUYXOXWDNSEOC-BETUJISGSA-N 314.385 3.087 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)CCc3c[nH]c4ccccc34)C2)n1 257206737 BESOIDZPEJDANQ-OAHLLOKOSA-N 322.412 3.148 0 40 DGAB Cc1csc(C(=O)N2CCC[C@@H]2c2ccnc(N(C)C)c2)c1 257287958 PSFAIUJFOCPZOX-CQSZACIVSA-N 315.442 3.495 0 40 DGAB CC(C)C(=O)N1[C@H](c2ccccc2)C[C@H]2NC(=O)CCCC[C@@H]21 257340105 ZEOOKXDTIJLKCE-IKGGRYGDSA-N 314.429 3.043 0 40 DGAB O=C(c1cccs1)N1CCC[C@@H](c2ccc3cn[nH]c3n2)C1 257344204 ZWDSPDVVYPCSFM-GFCCVEGCSA-N 312.398 3.039 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)NC(=O)Oc2ccccc2)cc1C 408737934 QABRJOMSDYXCCP-AWEZNQCLSA-N 312.369 3.419 0 40 DGAB COC[C@H]1CN(Cc2cccs2)CC12CCN(C(C)C)CC2 585103204 NCSRMOVWRPOQTD-MRXNPFEDSA-N 322.518 3.317 0 40 DGAB O=C(Cc1ccc(Br)cc1)c1c(O)cccc1O 606241696 BCCDVPDIQSCPIC-UHFFFAOYSA-N 307.143 3.286 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)C[C@H]1CCc2ccccc21 676009487 JYVLWXNTFCICHM-QGZVFWFLSA-N 323.392 3.463 0 40 DGAB Cc1ncsc1CN1CC[C@H](Cc2cccc(F)c2)[C@H](O)C1 1615087217 RRZUSNFVXSKATB-GDBMZVCRSA-N 320.433 3.016 0 40 DGAB Cc1cc(OCC2CCN(c3nc(C)cc(C)n3)CC2)ccn1 1888844392 RFXJOALXVHAKJW-UHFFFAOYSA-N 312.417 3.092 0 40 DGAB CC(C)(C)C(=O)NC1CCN(c2ccnc3ccccc23)CC1 2087130916 IMSZBPDQCYHPJI-UHFFFAOYSA-N 311.429 3.366 0 40 DGAB Cc1cccc(NC(=O)c2ccc(NC(=O)C(F)(F)F)cc2)n1 60934 XTZCIBMDSMHTNY-UHFFFAOYSA-N 323.274 3.143 0 40 DGAB CSc1ccccc1C(=O)N1CCN(c2ccccc2)CC1 133759 XNIXEWQZXYFPRK-UHFFFAOYSA-N 312.438 3.371 0 40 DGAB CCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2CO)c(C)c1 78993358 USLMYNWKEOCNTE-XJKSGUPXSA-N 306.406 3.066 0 40 DGAB CN(C(=O)N[C@@H](CN1CCCC1)c1ccccc1)C1CCC1 73666409 FOICBRWNSWFZHX-KRWDZBQOSA-N 301.434 3.017 0 40 DGAB CCOC(=O)c1ccsc1NC(=O)c1ccccc1OC 4275715 XXAQGXZNWIAPTG-UHFFFAOYSA-N 305.355 3.186 0 40 DGAB O=C(NC1CC1)[C@H](c1ccccc1)N1CCc2sccc2C1 34871968 CWHRBQXRGKDKLS-KRWDZBQOSA-N 312.438 3.126 0 40 DGAB COc1ccc(C)cc1NC(=O)CN(C)Cc1ccccc1F 6587790 WSCYBOPPBOVGLA-UHFFFAOYSA-N 316.376 3.213 0 40 DGAB O=C(Cc1cccs1)Nc1nc(-c2ccncc2)cs1 6831393 YDPWVYMLCOMVQA-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CCCc1n[nH]c(=S)n1NCc1c(F)cccc1Cl 7601299 OZNWGNUFYPVFMY-UHFFFAOYSA-N 300.790 3.429 0 40 DGAB Cc1ccc(CCCNS(=O)(=O)Cc2ccccc2C)cc1 10110591 YHQVJIRMGIUCGZ-UHFFFAOYSA-N 317.454 3.356 0 40 DGAB Cc1cc(NC(=O)COC(=O)c2ccccc2)ccc1Cl 8336217 NLPKRGIYBYDYCW-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC1CCN(C[C@@H]2CCCN(C(=O)Nc3ccccn3)C2)CC1 58247465 TYWOXXDJBYLMAV-INIZCTEOSA-N 316.449 3.057 0 40 DGAB C[C@@H](NC(=O)c1cnc(-c2ccccc2)nc1)c1ccncc1 58291847 FIYCTEQIWZNWGV-CYBMUJFWSA-N 304.353 3.030 0 40 DGAB O=C1Nc2ccccc2[C@]12CCN[C@@H]2c1cccc2cccnc12 62001492 OKWNDTMHYVBTOU-QUCCMNQESA-N 315.376 3.159 0 40 DGAB biogenic CCOc1ncccc1C(=O)Nc1cc(F)c(N(C)C)c(F)c1 58391627 GJVKNQYDJJPPGK-UHFFFAOYSA-N 321.327 3.077 0 40 DGAB Cc1noc(C)c1NC(=O)c1ccc(OC(F)(F)F)cc1 58329927 OYZXHWAXNAMIOZ-UHFFFAOYSA-N 300.236 3.442 0 40 DGAB Cc1nc([C@H]2CCCN2CCCc2nc3ccccc3o2)no1 84280968 XQSXLFGYXNTERZ-CQSZACIVSA-N 312.373 3.289 0 40 DGAB CC(C)c1c(C(=O)OC/C=C/c2ccccc2)cnc2ncnn12 36394717 DXKNBZIZFPTGFG-RMKNXTFCSA-N 322.368 3.118 0 40 DGAB Cc1ccc(-[n+]2c3n(c(=O)c4ccccc42)CCCCC3)cc1 3207974 ZHDFQRRYZQWUSS-UHFFFAOYSA-N 305.401 3.313 0 40 DGAB CCn1cc(CNC(=O)Nc2cccc(C(F)(F)F)c2)cn1 28235728 SYQWNBCXTFFMSA-UHFFFAOYSA-N 312.295 3.244 0 40 DGAB CO[C@H](C)c1noc(CN[C@H](C)c2ccc(Cl)s2)n1 97111491 CHPPKYUFZPWVQF-HTQZYQBOSA-N 301.799 3.343 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CC1(C(=O)O)CCCC1 12697761 VNWIXNCWNGQKMJ-UHFFFAOYSA-N 311.765 3.322 0 40 DGAB C[C@H]1CN(C(=O)c2cc(F)c(Cl)cc2Cl)C[C@@H](C)O1 12757300 YGZOCQILAKMQKW-OCAPTIKFSA-N 306.164 3.382 0 40 DGAB CC(C)(C)NC(=O)CSc1nc(/C=C/c2cccs2)n[nH]1 12760179 WUZXZMKMKNVYOB-VOTSOKGWSA-N 322.459 3.043 0 40 DGAB O=C1CSc2ccc(C(=O)Nc3ccc(F)c(F)c3)cc2N1 3346896 SGTPLRMCFXDBMD-UHFFFAOYSA-N 320.320 3.261 0 40 DGAB Cn1c(SCC(=O)NC(C)(C)C)nc2cc(Cl)ccc21 48343770 ULRNBDHGRIELFV-UHFFFAOYSA-N 311.838 3.234 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2cc(C)n(C3CC3)c2C)C2CC2)n1 95463116 KLGUNNSBVNGIGH-KRWDZBQOSA-N 324.428 3.419 0 40 DGAB CC(C)C[C@H]1NC(=O)N(Cc2cccc(C(F)(F)F)c2)C1=O 3487791 FCGSGIUYRMXYMB-GFCCVEGCSA-N 314.307 3.172 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1C 22250690 TVZGPGJDKSZBRZ-UHFFFAOYSA-N 313.353 3.417 0 40 DGAB Cc1ccc(NCc2cnn(C(C)(C)C)c2)cc1C(=O)N(C)C 95429324 FQNZLFKGJZKMAO-UHFFFAOYSA-N 314.433 3.260 0 40 DGAB CCN(Cc1ccccc1)C(=O)c1cn(-c2ccc(C)cc2)nn1 13355641 BNLBWJQPKYBIEV-UHFFFAOYSA-N 320.396 3.238 0 40 DGAB CC(C)c1ccc([C@@H](CC(=O)O)NC(=O)C(F)(F)F)cc1 4085626 USXCOSPARFHTLV-LLVKDONJSA-N 303.280 3.004 0 40 DGAB CCOc1ncccc1C(=O)N[C@@H]1CCSc2ccccc21 5176855 OMWNSTUNOBWTDT-CQSZACIVSA-N 314.410 3.447 0 40 DGAB Cc1ccoc1C(=O)N1CCN([C@@H](C)c2ccsc2)CC1 97378461 NHIOJCSSAVWWQB-ZDUSSCGKSA-N 304.415 3.169 0 40 DGAB Cc1ccc(OCC(=O)Nc2cccc(N3CCCC3=O)c2)cc1 5440590 BCSQNXCIYGTHNL-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB Cc1c(O)ccc2c(CN3C[C@@H](C)C[C@H](C)C3)cc(=O)oc12 6510873 KEKTUWUHTFKGSB-RYUDHWBXSA-N 301.386 3.285 0 40 DGAB Nc1nc(COC(=O)c2ccc(Cl)cc2)nc2ccccc12 9379321 ASUYBHIRGCOSQX-UHFFFAOYSA-N 313.744 3.222 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2ccc(-n3cccn3)cc2)c1 6610563 DSZRKMUHMBNEJB-UHFFFAOYSA-N 320.352 3.083 0 40 DGAB CC(C)Oc1ccc(F)cc1NC(=O)CC(C)(C)CC(=O)O 66965571 QBMJFIVVXKQCNX-UHFFFAOYSA-N 311.353 3.442 0 40 DGAB COc1cccc(-c2nc(CN[C@@H](C)[C@@H]3CCCO3)cs2)c1 71793579 CCSRKGZCJJFYRN-LRDDRELGSA-N 318.442 3.476 0 40 DGAB CC[C@@H](NC(=O)NCc1cc(C)no1)c1cc(F)ccc1F 96419903 XMKMYBHKRIIKMI-CQSZACIVSA-N 309.316 3.212 0 40 DGAB C[C@@H]1CN(C(=O)NC[C@@H]2CCCO2)CC[C@@H]1c1ccccc1 80585593 HEKDFCKIPHMUNZ-PVAVHDDUSA-N 302.418 3.001 0 40 DGAB CCSc1nnc([C@H](NC(=O)OC(C)(C)C)C(C)C)o1 15974982 MYWPCCQHKMOCBT-SECBINFHSA-N 301.412 3.403 0 40 DGAB O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CC[C@H](O)C1 70014613 AOHCNSXPXBQSPE-AWEZNQCLSA-N 323.352 3.093 0 40 DGAB Nc1cc(F)ccc1C(=O)OCc1nc2ccccc2s1 8355720 VPJKWPFVDZXYNT-UHFFFAOYSA-N 302.330 3.375 0 40 DGAB c1ccc(C2=NCN(C[C@H]3CCCO3)CN2c2ccccc2)cc1 22609068 AAKHSDAXOMNNOQ-LJQANCHMSA-N 321.424 3.349 0 40 DGAB CC(C)[C@H](C)NC(=O)Nc1ccccc1CN1CCSCC1 69599994 CNJIWMWMVDEHMJ-AWEZNQCLSA-N 321.490 3.401 0 40 DGAB CCC[C@@H](C)C(=O)NC[C@H]1CCN(c2cccc(OC)c2)C1 69664460 UEYXFOMVKNOPKA-HUUCEWRRSA-N 304.434 3.074 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)CNc1cc(Cl)cnc12 97758742 MUPDZOCKWKXSKE-UHFFFAOYSA-N 323.824 3.429 0 40 DGAB Cc1cc(C)n(Cc2cccc(C(=O)Nc3cc(C)on3)c2)n1 27970887 AMWKLPSBSFDMIC-UHFFFAOYSA-N 310.357 3.097 0 40 DGAB COCc1noc([C@@H](C)Sc2ncnc3ccsc23)n1 97085459 RVAYLAMANQDPKH-SSDOTTSWSA-N 308.388 3.074 0 40 DGAB O=C(Cc1cccc(Cl)c1)Nc1ccc(-c2nc[nH]n2)cc1 72277610 FVCJLFKPWKVECX-UHFFFAOYSA-N 312.760 3.306 0 40 DGAB CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC2(C)C)cc1 75092067 PQGVORLZGCMXKY-LBPRGKRZSA-N 303.406 3.231 0 40 DGAB COc1ccccc1[C@H](C)SCC(=O)Nc1c(C)n[nH]c1C 89522890 DVTHRAHCLQTKTQ-LBPRGKRZSA-N 319.430 3.468 0 40 DGAB CC(C)[C@@H](NC(=O)[C@H](C)Sc1ccccn1)c1ccccn1 89801814 ZIVKPKIPUZOIBN-XJKSGUPXSA-N 315.442 3.471 0 40 DGAB COCc1ccc(C(=O)N2CCN(C)c3cc(F)ccc32)cc1 76067864 LKAZXDSSUIHTNK-UHFFFAOYSA-N 314.360 3.069 0 40 DGAB Cc1ccc(NCc2ccc(OCC(N)=O)c(Cl)c2)cc1C 408558950 WUEUOFZNBUIDJD-UHFFFAOYSA-N 318.804 3.433 0 40 DGAB CCC[C@@H](C)NS(=O)(=O)c1ccc(OCC)c(Cl)c1 408588889 ZZHXDVAYXWSUGL-SNVBAGLBSA-N 305.827 3.206 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(F)c3)C2=O)c(C)c1 36635724 AJLHRFXIIJCSMH-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB CCCCC[C@@H](CC(=O)O)OC(=O)C[C@H](O)CCCCC 216292330 ZDDYUVZDVHQVRW-KGLIPLIRSA-N 302.411 3.285 0 40 DGAB biogenic,in-vitro Cc1ccc(-c2ccn(S(=O)(=O)c3ccc(C)cc3)n2)cc1 36612370 DNKRMIBKNHFIFU-UHFFFAOYSA-N 312.394 3.404 0 40 DGAB CC(=O)N[C@H]1CCN(C(=O)Nc2ccc(CCC(C)C)cc2)C1 574187313 DTXNSTOWVYFPLX-KRWDZBQOSA-N 317.433 3.018 0 40 DGAB CCOc1cccc(NS(=O)(=O)c2ccc(F)c(C)c2)c1 225604221 JGNMJWHHJNHWFV-UHFFFAOYSA-N 309.362 3.334 0 40 DGAB CCOc1ccc(C(=O)N[C@@H](C)COC)cc1COCC(C)C 224743106 ZKECIDSRPVGVTH-AWEZNQCLSA-N 323.433 3.023 0 40 DGAB Cc1cccc(NC(=O)Cn2ccc(=O)c3cc(C)ccc32)c1 225743933 NBWHPLBMZHSTCC-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB C[C@H](c1ccccc1)N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 44716295 MXWVGMCCSKTUQA-ZBFHGGJFSA-N 308.381 3.235 0 40 DGAB CCc1ccccc1N1C[C@@H](C(=O)Nc2ccccc2)CC1=O 41779415 HNZKEVIMLMFIND-HNNXBMFYSA-N 308.381 3.241 0 40 DGAB CCCCC[C@@](C)(OC)C(=O)Nc1ccc(OCC(=O)O)cc1 225622153 JZMWHGYVMXCBDW-QGZVFWFLSA-N 323.389 3.074 0 40 DGAB CO[C@@H]1CN(C(=O)Nc2ccc3c(c2)C(=O)CCC3)CC[C@@H]1C 190256543 YDKCOJIIMINRIS-YVEFUNNKSA-N 316.401 3.094 0 40 DGAB CCOCC(=O)N1CCCCc2cc(Br)ccc21 92572842 KZALZGNMYOOLEW-UHFFFAOYSA-N 312.207 3.155 0 40 DGAB Fc1cccc(N[C@H]2CO[C@@]3(CCN(Cc4ccco4)C3)C2)c1 96047574 RUBPDDZDTSPLSD-AEFFLSMTSA-N 316.376 3.264 0 40 DGAB Ic1c(-c2ccccc2)nc2cccnn12 96536906 FPXPIPUZSOQBDW-UHFFFAOYSA-N 321.121 3.001 0 40 DGAB O=C(OCc1nc(-c2c(F)cccc2F)cs1)c1cocn1 97095301 UIGDRSGXJNAALQ-UHFFFAOYSA-N 322.292 3.433 0 40 DGAB CCOC[C@@]12CCCO[C@H]1CCN(C(=O)CC1=CCCCC1)C2 96039464 LPCFHSDMGIIJBF-HKUYNNGSSA-N 321.461 3.311 0 40 DGAB CN1CCC[C@@H]1CCSc1nnc(Cc2ccccc2)o1 96485292 HTDAHRMJSKIXME-CQSZACIVSA-N 303.431 3.237 0 40 DGAB C[C@H]1C[C@@H]1C(=O)Nc1ccc(N2CCC(CN(C)C)CC2)cc1 75143218 GVHLKOWQSAITOY-KSSFIOAISA-N 315.461 3.059 0 40 DGAB CCN(CC)[C@@H]1CCN(c2nc3cc(C)nn3c3ccccc23)C1 78575032 BWJDIJJNPSLMEC-OAHLLOKOSA-N 323.444 3.111 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(Br)c(F)c1 76081759 UXTRISRUDYSNSI-UHFFFAOYSA-N 324.153 3.305 0 40 DGAB Nc1ccccc1C(=O)OCc1ccc(Br)cc1 6971678 KGRKBZOLHPDVSK-UHFFFAOYSA-N 306.159 3.388 0 40 DGAB Cc1cc(C)c(C)c(OCC(=O)NC(=O)NC2CCCCC2)c1 5474606 ZJVDSFDNQLQQBS-UHFFFAOYSA-N 318.417 3.149 0 40 DGAB Cc1n[nH]c(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1 5677448 VTURENWRAKFRAC-UHFFFAOYSA-N 317.201 3.151 0 40 DGAB COc1ccccc1C1(NC(=O)c2cnsc2)CCCC1 12143055 ABQASSCKWWTOJP-UHFFFAOYSA-N 302.399 3.351 0 40 DGAB CC(C)(C)C(=O)Nc1ccc2nc(N3CCOCC3)sc2c1 12802648 JPRLJXAGSFZOPB-UHFFFAOYSA-N 319.430 3.118 0 40 DGAB Brc1cc(I)c2ocnc2c1 169805320 VVXGARUGVSECOU-UHFFFAOYSA-N 323.915 3.195 0 40 DGAB Cc1ccc2c(c1)CCCN2Cn1ncc2ccccc2c1=O 158062270 PDFWCMQKDLCRBQ-UHFFFAOYSA-N 305.381 3.115 0 40 DGAB O=C(Nc1ccc2nn(-c3ccccc3)nc2c1)c1ccco1 4892109 DOAPLGRETNKNNZ-UHFFFAOYSA-N 304.309 3.266 0 40 DGAB Cc1nnc(S/C(=C\c2c(C)[nH]c3ccccc23)C(=O)O)[nH]1 8275955 BOTKUKDGOCKBMH-QPEQYQDCSA-N 314.370 3.121 0 40 DGAB CCC(CC)C(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 8983075 ZWFJAVRQBFMVQB-LBPRGKRZSA-N 322.836 3.245 0 40 DGAB COCCNC(=S)Nc1ccc(OCc2ccccc2)cc1 2809054 GXCUSNBGMOKZQM-UHFFFAOYSA-N 316.426 3.198 0 40 DGAB COc1ccc(CNC(=O)Cc2ccc3c(c2)CCCC3)cc1 12821042 RDGUHJHNQHNNPX-UHFFFAOYSA-N 309.409 3.433 0 40 DGAB Cc1ccc(Nc2ncnc3c2ncn3C[C@@H]2CCCO2)cc1C 1888909652 WRKJHZAVIKXCNL-HNNXBMFYSA-N 323.400 3.366 0 40 DGAB CCN1CCc2nc(NC(=O)c3ccc(C)cc3C)sc2C1 23802571 YPCUIRUWVIAVCR-UHFFFAOYSA-N 315.442 3.390 0 40 DGAB O=C(CCc1ccc(Cl)cc1Cl)NC[C@H]1CCCO1 43728652 JDHPSZZXJVPIQF-GFCCVEGCSA-N 302.201 3.221 0 40 DGAB CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccccc2)NC(=O)N1 70719 YAWCLLSUJNYNCX-KRWDZBQOSA-N 321.380 3.262 0 40 DGAB CCc1nccn1CC1CN(C(=O)[C@H]2CCCc3ccccc32)C1 1849660265 UTBRILXITNXKQD-SFHVURJKSA-N 323.440 3.024 0 40 DGAB CC[C@H]1c2ccsc2CCN1CC(=O)N(C)Cc1ccco1 40012119 MZUIJZQXOAAUNX-HNNXBMFYSA-N 318.442 3.309 0 40 DGAB C[C@@H]1CCCN(C(=O)c2cc(=O)c3cc(Cl)ccc3o2)C1 20893457 HYBFXGUJAMCOSC-SNVBAGLBSA-N 305.761 3.319 0 40 DGAB C[C@@H](NC(=O)c1cncc(Br)c1)[C@@H]1C[C@H]2CC[C@H]1C2 102175869 ANBMLQFBBQTKTP-ZHPDPMBESA-N 323.234 3.399 0 40 DGAB CCN1C[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)C(C)C)CC1=O 32816471 XVOHPNMTRVTSNR-XJKSGUPXSA-N 322.836 3.022 0 40 DGAB CC(C)CC[C@H](C)NC(=O)CCc1nc(-c2ccccn2)no1 32951561 FZCNFEWGTXRUDU-ZDUSSCGKSA-N 316.405 3.005 0 40 DGAB O=c1[nH]c2ccccc2n1CN(Cc1ccc(F)cc1)C1CC1 53517401 ATRLAKUTZIYBHV-UHFFFAOYSA-N 311.360 3.091 0 40 DGAB C[C@H](NC(=O)c1cnn(-c2ccccc2)c1)[C@H]1C[C@H]2CC[C@H]1C2 104105495 GRYUGPXMSBXWJZ-YRBFXIGRSA-N 309.413 3.427 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(Cl)cn1 51639 OOYJNUNOVRCHJZ-UHFFFAOYSA-N 318.789 3.342 0 40 DGAB CCc1cccc(C)c1NC(=O)/C(Cl)=C(\Cl)C(=O)O 164356 CEJAFXRNLBHTRO-MDZDMXLPSA-N 302.157 3.270 0 40 DGAB CCN(CC)C(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 299525 SKRCDHGLZFLMKN-UHFFFAOYSA-N 308.853 3.420 0 40 DGAB O=C(O)CCC(=O)N1N=C(c2ccccc2)C[C@H]1c1ccccc1 378685 KFXVPUDBCLRSOA-KRWDZBQOSA-N 322.364 3.229 0 40 DGAB COc1ccc(NC(=O)c2noc3c2CCCCC3)c(OC)c1 426570 KUVRDLQIFBERHQ-UHFFFAOYSA-N 316.357 3.213 0 40 DGAB O=C(COC(=O)c1ccco1)Nc1ccc(Cl)c(Cl)c1 809518 RGLHGXMUYFUPCK-UHFFFAOYSA-N 314.124 3.382 0 40 DGAB Cc1nc(NC(=O)CCC2CCCC2)sc1C(=O)N(C)C 998928 OSAJAXPLYQNORA-UHFFFAOYSA-N 309.435 3.062 0 40 DGAB O=C(O)c1ccc2c(c1)C[C@]1(C2)Cc2cc3c(cc2C1=O)CCC3 1645362 BFHSIVYNIGBVEA-OAQYLSRUSA-N 318.372 3.398 0 40 DGAB COc1ccc2[nH]cc(C(=O)c3ccc(Cl)cc3)c(=O)c2c1 2461959 FFSMXQCXRKRXAZ-UHFFFAOYSA-N 313.740 3.421 0 40 DGAB COc1ccc(/C=C2\C(=O)NC(=O)N2c2ccc(C)cc2C)cc1 3098641 RMCGDWSKALERKP-GZTJUZNOSA-N 322.364 3.409 0 40 DGAB O=C(COC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1 3239505 BRTFUDQWCOPKDA-UHFFFAOYSA-N 324.254 3.467 0 40 DGAB CC(C)c1ccc(OC(=O)Cn2cnc3ccccc3c2=O)cc1 3426032 NWBHBBJHHNCBBD-UHFFFAOYSA-N 322.364 3.126 0 40 DGAB CCN(CC)CCn1c(=O)c2ccccc2n1-c1ccccc1 5477030 QOPVQZGWFQYNTL-UHFFFAOYSA-N 309.413 3.134 0 40 DGAB COc1cccc(NC(=O)[C@H](C)Oc2ccc(C(C)=O)cc2)c1 5654344 GQMSZRFANNCRMN-ZDUSSCGKSA-N 313.353 3.304 0 40 DGAB CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12 6200147 MICZNRRTCUCNTP-YXGAYWBSSA-N 303.446 3.336 0 40 DGAB Cc1ccc(NC(=O)CCc2n[nH]c(=S)n2C)cc1Cl 6301459 BTUGRBJZDNWOCJ-UHFFFAOYSA-N 310.810 3.011 0 40 DGAB Cc1nsc(N)c1C(=O)OCc1c(F)cccc1Cl 6586140 WHOPYPRRIALWJC-UHFFFAOYSA-N 300.742 3.183 0 40 DGAB CCOc1ccc(C[C@@H]2SC(=O)N(CC)C2=O)c(OCC)c1 6952461 NMCRTNRKCDIITI-AWEZNQCLSA-N 323.414 3.110 0 40 DGAB COc1cccc(CN(C)S(=O)(=O)c2cc(C)ccc2C)c1 7214793 LHXWUUJQRZYWGO-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB Cc1nn(C)c(C)c1CN[C@H](C)c1ccc(-n2ccnc2)cc1 7984439 MKLMIDYWXKRXGJ-CYBMUJFWSA-N 309.417 3.073 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)NCCSCc1ccco1 8041704 JHQFTUOXCXEDPT-MRXNPFEDSA-N 319.426 3.487 0 40 DGAB O[C@@H]1CCCN(C(=S)Nc2ccc(SC(F)F)cc2)C1 8692200 LQVGPVVHJSEFRH-SNVBAGLBSA-N 318.414 3.155 0 40 DGAB CN(Cc1ccco1)C(=O)c1nn(-c2ccccc2)c2c1CCC2 8937572 JDEWTKCGYNILOB-UHFFFAOYSA-N 321.380 3.226 0 40 DGAB COc1ccc(NC(=O)/C=C/c2nc3ccccc3o2)c(OC)c1 8940471 XGFZUAHLDGQDFS-MDZDMXLPSA-N 324.336 3.497 0 40 DGAB O=C(Nc1cc2c(cc1Cl)OCO2)c1cc(Cl)ccn1 9577826 ZNCDYDXBBHHJSV-UHFFFAOYSA-N 311.124 3.369 0 40 DGAB O=C(CSc1ccccc1)NCCCN1CCCCCC1 10111093 DIAHFIBAUJFCCT-UHFFFAOYSA-N 306.475 3.161 0 40 DGAB Cc1cc(NC(=O)C2CC2)sc1C(=O)Nc1ccncc1 10126239 PKQCOAZOYRMWNO-UHFFFAOYSA-N 301.371 3.052 0 40 DGAB CC(C)NC(=O)[C@H](C)Sc1ncc(-c2ccc(F)cc2)o1 10842521 DUHQCDZZGPGWHX-JTQLQIEISA-N 308.378 3.486 0 40 DGAB CC(C)n1cc(C(=O)N2CCC[C@@H]2c2nc3ccccc3[nH]2)cn1 12220640 UKFIPWHZRCMBGN-MRXNPFEDSA-N 323.400 3.318 0 40 DGAB CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccncc1 12599427 CPOWKFMLLOOHSJ-BMFZPTHFSA-N 319.401 3.242 0 40 DGAB CC[C@@H](C)NC(=O)c1ccccc1NC(=O)c1c(C)noc1C 12680931 HVAWJPPXPKHDIM-SNVBAGLBSA-N 315.373 3.072 0 40 DGAB CCOc1cc(NC(=O)c2ccc(F)cc2)c(OCC)cc1N 12833671 GKARJOBKJXVYCE-UHFFFAOYSA-N 318.348 3.458 0 40 DGAB CN(c1ccc2nnc(C(F)(F)F)n2n1)C1CCCCCC1 12883990 PQLUYYRUIWMOND-UHFFFAOYSA-N 313.327 3.302 0 40 DGAB C[C@H](NC(=O)CN(C)Cc1cccc(F)c1)c1cccs1 12897841 FNCAPCIYMJANIV-LBPRGKRZSA-N 306.406 3.196 0 40 DGAB O=C(CSc1ncc2ccccn12)Nc1c(F)cccc1F 14095721 HVVLZLBIFBRZTN-UHFFFAOYSA-N 319.336 3.343 0 40 DGAB COC(=O)/C(=C1\OC(=O)C(c2ccccc2)=C1O)c1ccccc1 16892484 OMZRMXULWNMRAE-ICFOKQHNSA-N 322.316 3.097 0 40 DGAB biogenic,in-vitro Cc1ccc(CNC(=O)c2ccc(CN3CCCC3=O)cc2)cc1 18118821 QUUOYFCMJGRUFN-UHFFFAOYSA-N 322.408 3.047 0 40 DGAB Cc1ccc2[nH]c(C)c(CCNC(=O)CCc3ccncc3)c2c1 19220094 DVEUGWYEZJARLN-UHFFFAOYSA-N 321.424 3.471 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2cc(C(C)(C)C)nn2C)c1 20013102 IOGBJOPTUZIXKA-MDZDMXLPSA-N 313.401 3.378 0 40 DGAB CCOc1ccc(C(=O)Nc2cc(C(=O)O)ccc2OC)cc1 20141682 XOYBNJDWGKZVLL-UHFFFAOYSA-N 315.325 3.044 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccc(C)cc1 20493669 FPFVMVDPFIOQQQ-SFHVURJKSA-N 302.462 3.308 0 40 DGAB COc1cccc(C(=O)NCCOc2ccc(Cl)cc2)c1 21904429 VCLRBUPVBDTVLX-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB CN(Cc1nc2ccccc2[nH]1)C(=O)NCc1ccccc1F 27344411 AFWCCHXPEKQESW-UHFFFAOYSA-N 312.348 3.044 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)c(C)c1 32611610 JOIJESDICOXLAM-LLVKDONJSA-N 322.206 3.462 0 40 DGAB COc1ccccc1/C=C(/C(=O)N1CCOCC1)c1ccccc1 32907808 FVHIHVSRKKJZHJ-OBGWFSINSA-N 323.392 3.095 0 40 DGAB O=Cc1ccc(O[C@@H]2CCCCO2)c(O[C@@H]2CCCCO2)c1 34113649 BNBFKXFYXJETEM-IAGOWNOFSA-N 306.358 3.310 0 40 DGAB in-vitro O=C(Nc1cccc2nsnc12)c1cc2ccccc2oc1=O 35672788 NANFXUYCAMMYOP-UHFFFAOYSA-N 323.333 3.050 0 40 DGAB CN(Cc1ccc(F)cc1)C(=O)c1cc(Br)c[nH]1 37494808 HEGYJKPSTJXRLN-UHFFFAOYSA-N 311.154 3.189 0 40 DGAB Cc1noc(C)c1CCC(=O)N1CCCc2c(F)cc(F)cc21 40090402 PYBLUYBGVPGAHB-UHFFFAOYSA-N 320.339 3.482 0 40 DGAB O=C(CCCc1ccccc1)Nc1cccnc1-n1cccn1 40133377 ZCUGZIGLAPFBOX-UHFFFAOYSA-N 306.369 3.229 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2)C1 44140348 ZABLUNIABZRMSM-GASCZTMLSA-N 305.491 3.341 0 40 DGAB FC(F)(F)c1ccc2c(I)c[nH]c2n1 44700139 QDAYIWYIJUTTAK-UHFFFAOYSA-N 312.032 3.186 0 40 DGAB COc1ccc2oc(-c3ccc(OC)c(-n4cnnc4)c3)nc2c1 45920721 VKEFWRHCBIFYLD-UHFFFAOYSA-N 322.324 3.093 0 40 DGAB O=C(CCNC(=O)OCc1ccccc1)Nc1ccccc1F 46571748 CSGNGYDVCWMYFP-UHFFFAOYSA-N 316.332 3.081 0 40 DGAB CC(C)Oc1ccccc1NC(=O)NCc1nc(C2CC2)no1 47542024 BNQIASNEFJGGJW-UHFFFAOYSA-N 316.361 3.056 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)CCC(C)C)c1 48333168 ZVCSXHZNCKMUKC-CQSZACIVSA-N 304.434 3.267 0 40 DGAB CSc1ccc(Cl)cc1NC(=O)NCCn1ccnc1 49359690 ZMBQFECBSLTIGT-UHFFFAOYSA-N 310.810 3.080 0 40 DGAB CC(C)Oc1ccc(NC(=O)NCc2ccncc2)c(F)c1 52267976 WXKMNSRWOBJBPN-UHFFFAOYSA-N 303.337 3.330 0 40 DGAB CCOc1ccc(-c2nc3c(n2O)C(=O)CC(C)(C)C3)cc1 55175245 GWWOIUWJXYTMIB-UHFFFAOYSA-N 300.358 3.341 0 40 DGAB O=C(Nc1cccc(C(=O)N2CCCC2)c1)OCC(F)(F)F 57974352 SGBAMGDKTMJTTJ-UHFFFAOYSA-N 316.279 3.033 0 40 DGAB O=C(Cc1ccccc1Br)NCc1ccc(O)cc1 69349064 PKTGYBYXUNEJEB-UHFFFAOYSA-N 320.186 3.014 0 40 DGAB C[C@@H]([C@@H](C)NCc1csc(-c2ccccn2)n1)n1cccn1 69368511 MFRBMADNYULVNY-OLZOCXBDSA-N 313.430 3.141 0 40 DGAB COc1cccc2cc(CNCc3ccnc(N(C)C)c3)oc12 69920260 YWYPBEILSFIIDH-UHFFFAOYSA-N 311.385 3.192 0 40 DGAB Cc1cnn(C[C@H]2CCCCN2C(=O)CCc2cccs2)c1 71865691 XPHVFCLWTKWTAH-OAHLLOKOSA-N 317.458 3.267 0 40 DGAB CCOC(=O)c1ccccc1N(C)C(=O)c1ccc(Cl)nc1 71879438 FVPGRUGEJKBDMC-UHFFFAOYSA-N 318.760 3.188 0 40 DGAB C[C@@H](Oc1ccc(Cl)cc1C(N)=O)c1nc(C(C)(C)C)no1 71913929 ZBLMAYKZBGLMSS-MRVPVSSYSA-N 323.780 3.259 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2ccncc2C)cc1 72219523 ZPJWBKFZPGZYAS-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB COC[C@@H](NC(=O)c1ccc[nH]1)c1cccc(C(F)(F)F)c1 72287910 HPYIAIGJXFVLHB-CYBMUJFWSA-N 312.291 3.151 0 40 DGAB C[C@@H](NC(=O)CCN(C)Cc1cccc(O)c1)c1ccccc1 72308183 MQSZWSSXEZPXPI-OAHLLOKOSA-N 312.413 3.092 0 40 DGAB CCNC(=O)N[C@H]1CCC[C@H](OC(=O)Nc2ccc(F)cc2)C1 75165983 YYLZYEACJIUHRO-KBPBESRZSA-N 323.368 3.005 0 40 DGAB O=c1c(-c2nc(-c3cccs3)no2)c[nH]c2ccc(F)cc12 75352735 CQGOINVAPTVZLV-UHFFFAOYSA-N 313.313 3.446 0 40 DGAB COc1c(Cl)cccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 76021479 UONOBNCLQTXRLS-FZQKWOKYSA-N 324.808 3.284 0 40 DGAB Cc1n[nH]c2ncc(C(=O)Nc3ncc(C(C)C)s3)cc12 76041856 YIWRNIXDMMOWMT-UHFFFAOYSA-N 301.375 3.099 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)NC/C=C/c1ccccc1 79032559 SDUOIOLCJGQKPM-RMKNXTFCSA-N 323.392 3.270 0 40 DGAB Cc1[nH]ccc1C(=O)N1CC[C@H](OCCCc2ccccc2)C1 89536739 NIMXLXFNAZBCLT-KRWDZBQOSA-N 312.413 3.187 0 40 DGAB O=C(Nc1ccc(F)cc1OCC(F)F)C1=COCCC1 91105564 VOAMRLRRPIMBJU-UHFFFAOYSA-N 301.264 3.102 0 40 DGAB O=C(O)c1cccc(CNC(=O)c2cccc3ccccc23)c1 95352024 IDVMMFQWHICRTN-UHFFFAOYSA-N 305.333 3.468 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1Oc1ccccc1)c1nc[nH]n1 95460834 NCIFHGAJBBBNLH-GFCCVEGCSA-N 323.356 3.480 0 40 DGAB C/C(=C\C(=O)N(Cc1cnn(C)c1)C(C)C)c1ccc(F)cc1 96180107 IADWWWPAWJDJEF-NTEUORMPSA-N 315.392 3.400 0 40 DGAB CCOC[C@H]1CC2(CCN(CCc3ccccc3)CC2)CO1 96206254 DSOHXJPEFVLEHR-GOSISDBHSA-N 303.446 3.137 0 40 DGAB Cc1nc(NC(C)C)nc2c1CN(Cc1cccs1)CC2 96253897 JLMHTMIKHNLTON-UHFFFAOYSA-N 302.447 3.225 0 40 DGAB C[C@@H](CO)[C@@H](C)NC(=O)Nc1cc(-c2ccco2)ccc1F 96435489 XAJOBQQIAKTWBT-WDEREUQCSA-N 306.337 3.224 0 40 DGAB COc1ccc(C[C@H](C)CN(C)C(=O)c2cccnc2C)cc1 96485600 VNFKHGDYQNFBEM-AWEZNQCLSA-N 312.413 3.349 0 40 DGAB O=C(CSc1cccc(Br)c1)NCCCF 96487558 MZJBOUZLTWUSNS-UHFFFAOYSA-N 306.200 3.017 0 40 DGAB O=C(O)CCc1ccc(NC(=O)c2cccnc2Cl)cc1 97018949 WYGQCCHZPLVBMO-UHFFFAOYSA-N 304.733 3.005 0 40 DGAB CCOC(=O)N1CCC(Nc2ccc(C)cc2CN(C)C)CC1 97032816 ZXHDXKRSEJUBJU-UHFFFAOYSA-N 319.449 3.089 0 40 DGAB Cc1ncc(CNc2nnc(C(C)(C)C)o2)n1-c1ccccc1 97114470 SDMIZOMODKBXNC-UHFFFAOYSA-N 311.389 3.473 0 40 DGAB Cc1ccc(NC[C@@H]2CCN(Cc3nc4ccccc4o3)C2)nc1 97200765 LKQQXMMEQVCHDG-HNNXBMFYSA-N 322.412 3.465 0 40 DGAB CC(C)n1cc2cc(NC(=O)c3ccc(C(=O)O)o3)ccc2n1 97231578 HDKANCADMJTBOU-UHFFFAOYSA-N 313.313 3.161 0 40 DGAB CC(C)n1cc2cc(NC(=O)N3CCO[C@H](C)[C@@H]3C)ccc2n1 97233971 XSJVRNLGVBLGQC-QWHCGFSZSA-N 316.405 3.258 0 40 DGAB Cc1ccc(-n2cc(-c3ccccc3)c3c(O)nnnc32)cc1 98063939 VNMKSSGUQUVXHN-UHFFFAOYSA-N 302.337 3.497 0 40 DGAB CCCC[c-]1c(=O)n(-c2ccccc2)n(-c2ccccc2)c1=O 100525477 JHJJOYHHWIGMHQ-UHFFFAOYSA-N 307.373 3.050 0 40 DGAB in-man CN(C)C(=O)[C@@]12CC[C@](C)(c3nc4ccccc4nc31)C2(C)C 100625433 MVOPGXWXHAQHAY-RTBURBONSA-N 309.413 3.047 0 40 DGAB COc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1OC(F)F 102825380 KDQCDJDEPPAXQQ-NHCYSSNCSA-N 309.312 3.447 0 40 DGAB CCN(CC)C[C@H]1CCN([C@H](C)c2nc(C(C)(C)C)no2)C1 107064375 LSAZOGMFNKMHGF-ZIAGYGMSSA-N 308.470 3.092 0 40 DGAB Clc1cc(Br)cnc1I 113599208 DECBUQHJEVJSHX-UHFFFAOYSA-N 318.339 3.102 0 40 DGAB O=C(NC[C@H]1C[C@@H]2C=C[C@@H]1C2)c1snnc1-c1ccccc1 170610783 HTNFDZYPJCNEPI-MRVWCRGKSA-N 311.410 3.147 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@H](c3nccs3)C2)s1 171643013 ZXODWGXHLZNYAT-NSHDSACASA-N 307.444 3.236 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1cc(Br)c(F)cc1F 188142059 OHJWFBATXRIRFE-SSDOTTSWSA-N 320.133 3.235 0 40 DGAB CC(C)[C@H](NC(=O)C(F)(F)F)c1nc(-c2ccsc2)no1 193934610 BOKDCXYBJZKIJV-QMMMGPOBSA-N 319.308 3.174 0 40 DGAB CN(Cc1ccccc1)C(=O)N1CCCCC[C@H]1c1ncon1 195571838 GPHOHMGTQJIGIY-HNNXBMFYSA-N 314.389 3.239 0 40 DGAB C[C@H]1CCCN(c2ccc(NC(=S)NC(C)(C)C)cn2)C1 223882434 IWYPMNDFTRCTKH-LBPRGKRZSA-N 306.479 3.403 0 40 DGAB CC(=O)c1ccc(CCNC(=O)c2c(F)cccc2F)s1 225670550 ZIKJRQOIKSUOGV-UHFFFAOYSA-N 309.337 3.201 0 40 DGAB S=C(Nc1ccc2c(c1)OCCO2)NC1(C2CC2)CCCC1 225857983 GASWOROTMYAAAW-UHFFFAOYSA-N 318.442 3.467 0 40 DGAB Cc1cccc(CN2CCC[C@H](c3ccc4cn[nH]c4n3)C2)n1 257294266 QTHMJGPLABMXIQ-HNNXBMFYSA-N 307.401 3.041 0 40 DGAB Cc1nn(C(C)C)cc1C(=O)N1CC[C@@H](Cc2ccccc2)C1 573980252 ZWEYMGPWTSOSHB-KRWDZBQOSA-N 311.429 3.477 0 40 DGAB CC[C@H](c1nc(Cc2ccccc2Cl)no1)N1CCCC1=O 585133702 RKRPNQHFIUEFHP-CYBMUJFWSA-N 319.792 3.387 0 40 DGAB Cc1cnc([C@H](C)NC(=O)N2Cc3ccccc3O[C@@H](C)C2)o1 644219985 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KANZYASECAVJDO-UHFFFAOYSA-N 303.412 3.289 0 40 DGAB CCOc1ccc(-n2nc(C(=O)O)nc2-c2ccccc2)cc1 8730817 LWPWJWVPIUEAHH-UHFFFAOYSA-N 309.325 3.031 0 40 DGAB CCOc1ccc2c(c1)cc(C(=O)Nc1nccs1)n2C 35373061 JLDLQQXGMJQTTF-UHFFFAOYSA-N 301.371 3.286 0 40 DGAB O=C(O)c1ccc(Cl)c(NC(=O)c2ccc3c(c2)OCO3)c1 9550350 RFCYTYJTSYIDLC-UHFFFAOYSA-N 319.700 3.019 0 40 DGAB Cc1cc(C)n(-c2ccc(CNC(=O)C3CCCCC3)cn2)n1 44969351 IRUCIDCVTMTZPV-UHFFFAOYSA-N 312.417 3.081 0 40 DGAB C[C@H](NC(=O)N[C@H](C)Cn1cccn1)c1ccc(Cl)s1 44955096 XWJQJRUBCUYBMS-ZJUUUORDSA-N 312.826 3.047 0 40 DGAB CC(=O)Nc1ccc(-c2csc(NC(=O)C3CC3)n2)c(F)c1 10966067 JKIOQRINWWETHG-UHFFFAOYSA-N 319.361 3.256 0 40 DGAB Cc1csc2nc(CN3CC[C@H]4CCCC[C@@H]4C3)cc(=O)n12 45314706 KTDWIPQUQCBFTJ-ZIAGYGMSSA-N 317.458 3.077 0 40 DGAB COc1cccc(CNc2ncnc3ccsc23)c1OC 52471872 KNNXJWBXZVMMLC-UHFFFAOYSA-N 301.371 3.321 0 40 DGAB CC[C@H](CO)NC(=O)OCC1c2ccccc2-c2ccccc21 2541566 JJVATGCCSPHKKV-CYBMUJFWSA-N 311.381 3.296 0 40 DGAB CC(C)C(=O)Nc1ccc(C(=O)N2C[C@@H](C)C[C@@H](C)C2)cc1 12631529 ZIAKERNVJPYIDG-OKILXGFUSA-N 302.418 3.399 0 40 DGAB CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(N(C)C)nc2)C1(C)C 46387277 QSFDTRIMHCFJMA-GOEBONIOSA-N 301.434 3.002 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 29869771 JREKYUCZSWSASE-GFCCVEGCSA-N 322.364 3.028 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2cc(F)ccc2F)c1 57472255 JGXSCKJMYFDCAV-UHFFFAOYSA-N 319.307 3.093 0 40 DGAB O=C(Nc1nc2c(ccc3ccccc32)s1)[C@@H]1C[C@H]1[N+](=O)[O-] 47242350 LLSQNJOAJVFYEM-GHMZBOCLSA-N 313.338 3.053 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H](c1ccc(F)cc1)C(C)C 48299125 MXZMFJPZPMCSLM-KRWDZBQOSA-N 304.365 3.487 0 40 DGAB Nc1cccc(Cl)c1N1CCN(c2ccc(F)cc2)CC1 20022951 IQTAOOILHZVOSU-UHFFFAOYSA-N 305.784 3.388 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1ccc(C(F)(F)F)cc1 3449434 GLPJWBYIINSFKG-UHFFFAOYSA-N 314.288 3.118 0 40 DGAB CC1CCC(NC(=O)CSc2ccccc2C(=O)O)CC1 12978329 WWSGZZFZEMTTJG-UHFFFAOYSA-N 307.415 3.172 0 40 DGAB C[C@]12CC(=O)[C@H]3[C@@H](CC[C@H]4CC(=O)CC[C@@]43C)[C@@H]1C[C@H](O)C2 118930871 OWGDNJFJSVLTKK-NYNCOMEHSA-N 304.430 3.138 0 40 DGAB C[C@@H](NC(=O)Nc1ccncc1)c1nc(-c2ccccc2)c[nH]1 63813561 QLSQZUKALCOTRK-GFCCVEGCSA-N 307.357 3.354 0 40 DGAB CO[C@@H](C)c1noc(CNc2ccc(F)cc2OCC2CC2)n1 83142639 LLLZNGQIBCSCMS-JTQLQIEISA-N 321.352 3.317 0 40 DGAB Cc1ccc(Cc2cnc(N3C(=N)SCC3=O)s2)cc1 5001298 QILNEXQSALJLGI-UHFFFAOYSA-N 303.412 3.057 0 40 DGAB O=C(COC(=O)c1ccccc1Cl)NC1CCCCCC1 5059765 PLEALCDSLCFDSS-UHFFFAOYSA-N 309.793 3.336 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@]1(Cc1cccs1)C(=O)O 4241233 DDYQQTCCFAWKHK-OAHLLOKOSA-N 311.403 3.145 0 40 DGAB CC[C@@H](NC(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 5298492 OETMXBXFVOOCNE-OAHLLOKOSA-N 308.385 3.007 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C(=O)NCc2cc[nH]n2)C2CC2)o1 65554548 WPRAQMGZZWQGCF-NHYWBVRUSA-N 314.389 3.000 0 40 DGAB CC(C)(C)N(Cc1ccccc1)C(=O)CSc1nncs1 6586367 FHYFCZWLRKAUOM-UHFFFAOYSA-N 321.471 3.458 0 40 DGAB Cc1cc(CNC(=O)N2CCC[C@@H](c3ccccc3)CC2)on1 67080968 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Cc1nc2ccccn2c1-c1nnc(S)n1-c1ccccc1 8706542 GURLSHGQJSPGCB-UHFFFAOYSA-N 307.382 3.179 0 40 DGAB FC(F)(F)c1cccc(N2CCN(Cc3ccccc3)CC2)n1 63507748 ANVQGRJIWJFZSM-UHFFFAOYSA-N 321.346 3.423 0 40 DGAB CCOc1ccc(NC(=O)NC[C@H]2CCO[C@@H](C)C2)cc1C 95458141 FLZKJBDIBOQQIA-KBPBESRZSA-N 306.406 3.330 0 40 DGAB Cc1cccc2c1N(C(=O)CCc1ccccc1C(=O)O)CC2 97039173 XBWHIABECMOERB-UHFFFAOYSA-N 309.365 3.215 0 40 DGAB Cn1cc(CNCC2(c3ccccc3)CC2)c(-c2ccncc2)n1 97159939 KCKGEHBLGXDTQH-UHFFFAOYSA-N 318.424 3.304 0 40 DGAB Cc1cnc(NS(=O)(=O)c2ccc(CCC(C)C)cc2)o1 72312862 LKTBMUZZDXFRIY-UHFFFAOYSA-N 308.403 3.372 0 40 DGAB COC(=O)N1CCC(N[C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 95420827 AYAJCXGTFNIMLW-UONOGXRCSA-N 320.433 3.008 0 40 DGAB Cc1noc2ncc(C(=O)N(C3CC3)[C@H](C)c3ccccn3)cc12 95367657 SJKYPHFNOWLWJC-GFCCVEGCSA-N 322.368 3.292 0 40 DGAB COc1ccc(/C=C/CNCc2cccnc2-n2ccnc2)cc1 72921874 YFHFEJYCPBBBTK-DUXPYHPUSA-N 320.396 3.079 0 40 DGAB CCOc1cc(NC(=O)N2CCC3(CCOCC3)C2)ccc1C 98014257 PSQVOVXOCCIQDF-UHFFFAOYSA-N 318.417 3.428 0 40 DGAB Cc1ccc(CN[C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)nc1 95988584 PAPYFBBALJDCJH-IAGOWNOFSA-N 304.340 3.288 0 40 DGAB O=C(Nc1cccnc1OCC(F)F)c1ccc(Cl)cn1 95980287 BTVOEYORXQSJGA-UHFFFAOYSA-N 313.691 3.026 0 40 DGAB CCOc1ccc(NC(=O)N(C)[C@@H]2CCN(CC)[C@@H](C)C2)cc1 75094153 FGXIJVCWNPGSEJ-GOEBONIOSA-N 319.449 3.422 0 40 DGAB Cc1ccc(N(C)C(=O)C=C2CN(C(=O)OC(C)(C)C)C2)cc1 89570163 QASFRBWBJUDKLH-UHFFFAOYSA-N 316.401 3.135 0 40 DGAB CCCOC(=O)C1(OC(C)=O)c2ccccc2-c2ccccc21 28294437 VCXUTGVAJURCKJ-UHFFFAOYSA-N 310.349 3.427 0 40 DGAB Cc1cc([C@H]2CCCN(C(=O)[C@H]3CCc4ccccc43)C2)n[nH]1 76060118 WMRYCJJNFZBDMF-RDJZCZTQSA-N 309.413 3.154 0 40 DGAB CCn1cc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)cn1 28236950 YDPDDLSZSSNSBC-AWEZNQCLSA-N 308.385 3.185 0 40 DGAB CCOc1cccc(/C=C2/SC(=O)N(C(C)C)C2=O)c1O 409023754 OPEHDXYFEBWJKX-XYOKQWHBSA-N 307.371 3.236 0 40 DGAB COCCOc1ccc(CNc2ncnc3ccccc23)cc1 29626871 SEDFCQIHKMLOBU-UHFFFAOYSA-N 309.369 3.267 0 40 DGAB O=C(NCC1(O)CCCC1)C(c1ccccc1)c1ccccc1 36110409 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CCn1cc(N[C@H](C)C(=O)Nc2ccccc2C(C)C)cn1 97377382 CJPYNYSQSOEXHK-CYBMUJFWSA-N 300.406 3.466 0 40 DGAB COCc1nc2n(n1)[C@@H](c1ccc(C(C)C)cc1)C[C@@H](C)N2 95471694 NSNUWWFSSDVLLZ-IUODEOHRSA-N 300.406 3.341 0 40 DGAB CCN(Cc1ccc(C(=O)NC)cc1)[C@H](C)c1cccc(O)c1 96455326 FMCKUNBRQUSXCU-CQSZACIVSA-N 312.413 3.335 0 40 DGAB O=C(Nc1nncn1-c1ccccc1)C1CCC(F)(F)CC1 96493711 GUBSTLYRZCKIKJ-UHFFFAOYSA-N 306.316 3.031 0 40 DGAB O=C(Cc1cccc(C(F)(F)F)c1)N1CCOc2ncccc21 96451739 JZWALVBRJWIFGD-UHFFFAOYSA-N 322.286 3.069 0 40 DGAB Cc1c(NC(=O)N[C@@H]2CCC[C@H]2O)cccc1OC1CCCC1 96415931 BAMTZOBIZOYOIF-HZPDHXFCSA-N 318.417 3.351 0 40 DGAB c1ccc(CO[C@H]2CN(Cc3cccnc3)C[C@@]23CCCO3)cc1 257242056 IAWVWFHEOBOTLZ-PMACEKPBSA-N 324.424 3.032 0 40 DGAB CN(C)c1cc([C@@H]2CCCN2C(=O)Cc2ccsc2)ccn1 257266435 MCZWCTBPBOGQJI-HNNXBMFYSA-N 315.442 3.115 0 40 DGAB CCOc1ccc(C(=O)NCCCN2CCC[C@H](C)C2)cc1C 260795994 OCFBKRSGTIXUJX-HNNXBMFYSA-N 318.461 3.246 0 40 DGAB CC[C@@H]1C[C@H](NC(=O)NCc2ccc3occc3c2)CCO1 661332636 MXENINIBSSHPBW-HUUCEWRRSA-N 302.374 3.190 0 40 DGAB CO[C@H](C)C(=O)N[C@H](C)c1sc(-c2ccccc2F)nc1C 75138531 RZUFILMUPJGMKV-MWLCHTKSSA-N 322.405 3.470 0 40 DGAB COc1ccc(-c2cc(CC(=O)N3CCC[C@@H](C)C3)no2)cc1 12866132 LDNLOJJYQNPUPT-CYBMUJFWSA-N 314.385 3.151 0 40 DGAB Cc1csc([C@@H](Cc2ccsc2)NC(=O)[C@@H]2CCCO2)n1 19240137 WQLMOCLWOUFZLK-OLZOCXBDSA-N 322.455 3.092 0 40 DGAB CC(C)CCNC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C 19804284 BNOUQVLBWIOFGQ-CYBMUJFWSA-N 300.443 3.088 0 40 DGAB O=C(O)/C=C/c1cc(Br)c(Br)s1 2504884 UOYCDAFPKPPRGI-OWOJBTEDSA-N 311.982 3.371 0 40 DGAB COC(=O)c1ccsc1NC(=O)C(Cl)=C(Cl)Cl 160052 NYLLPCXGZHBIFM-UHFFFAOYSA-N 314.577 3.359 0 40 DGAB Cc1cc2ncn(CC(=O)Nc3ccc4c(c3)OCO4)c2cc1C 420260 OMSJHEYZAYOBGQ-UHFFFAOYSA-N 323.352 3.021 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@@H](O)c2ccccc2)C1 12328101 MNAUZBASDLSNEB-PKOBYXMFSA-N 324.424 3.071 0 40 DGAB O=C(Nc1ccc(Cl)c(F)c1)c1ncnc2c1CCCC2 1888865662 KQEUKIJIFPJKTA-UHFFFAOYSA-N 305.740 3.400 0 40 DGAB CCc1noc(C)c1C(=O)O[C@H](C)c1nc(C(C)(C)C)no1 24046942 UPEUOYWCEQYKND-SECBINFHSA-N 307.350 3.144 0 40 DGAB CC1(C)C(=O)CC[C@]2(C)[C@H]3CC[C@@H]4C[C@@]3(CC[C@@H]12)C[C@]4(O)CO 14654117 MPDUJZZNNBJFAB-NBUFYSGYSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro CC(C)(C)c1ccc(S(=O)(=O)N2[C@H]3C=CC[C@H]2CC3)cc1 208029098 QMTPDOMGXCYCMI-GJZGRUSLSA-N 305.443 3.466 0 40 DGAB NC(=O)[C@@H](NCCCSc1ccc(F)cc1)c1ccccc1 40032383 ISHNLNCFWOQGNW-INIZCTEOSA-N 318.417 3.124 0 40 DGAB CCN1CCC[C@@H]1CNc1ncnc2c1[nH]c1ccc(F)cc12 20394569 HTCJXUVQHIRXAM-GFCCVEGCSA-N 313.380 3.146 0 40 DGAB aggregator CC(C)c1noc([C@H](C)N(C)Cc2ccc3c(c2)OCCO3)n1 40496456 CZXFAQHCRKEXRH-LBPRGKRZSA-N 317.389 3.157 0 40 DGAB Cc1nn(-c2ncccn2)c2c1[C@@H](c1ccc(F)cc1)CC(O)=N2 20727330 QYMUXOXIEJCXGG-CYBMUJFWSA-N 323.331 3.233 0 40 DGAB CN(C(=O)C1[C@@H]2CCC[C@@H]12)C1CCN(c2ccc(F)cc2)CC1 101478076 RMPHNSHDLSNJII-IAGOWNOFSA-N 316.420 3.299 0 40 DGAB Cc1cccc(OCC(=O)Nc2cc(Cl)ccc2C(=O)O)c1 237520 IVFHNSFOAQCNAM-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB O=C(Cc1ccccc1F)Nc1cccc(Cn2cccn2)c1 32466731 KYJNIYKUWIIEDS-UHFFFAOYSA-N 309.344 3.252 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)o1 22246130 PGYRRVXPMAXMLS-XHDPSFHLSA-N 323.389 3.363 0 40 DGAB CC(C)(C)NC(=O)[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1 814915 CBMDYRMUJDFFTC-GFCCVEGCSA-N 315.200 3.401 0 40 DGAB Cc1ccccc1NC1=C(Cl)C(=O)N(c2ccccc2)C1=O 118692 YNRXWRKPOBGQHE-UHFFFAOYSA-N 312.756 3.431 0 40 DGAB CC(C)C(=O)N1CCC(c2nc(-c3ccc(F)cc3)no2)CC1 324766 NPTOFYMZTBKWSJ-UHFFFAOYSA-N 317.364 3.238 0 40 DGAB O[C@H](CN(Cc1ccncc1Cl)C1CC1)c1ccccc1 78972704 QRFAHWAMQKWKID-QGZVFWFLSA-N 302.805 3.433 0 40 DGAB C[C@H](CNc1ccccc1)NC(=O)CCC(=O)c1cccs1 79100565 SQFVWVAYJTWSKG-CYBMUJFWSA-N 316.426 3.328 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(Cl)cc2)C1 3135859 GJNKQSHXPRWFLY-NSHDSACASA-N 310.781 3.147 0 40 DGAB O=C([C@H]1C[C@H]1c1ccco1)N1CCCN(Cc2ccccc2)CC1 106832793 VNEOFUMXQMVJTB-MSOLQXFVSA-N 324.424 3.118 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2)c2c1CCc1occc1-2 1430728 OXNIZGWXTPZXQY-UHFFFAOYSA-N 308.337 3.408 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc(F)c(OC)c2)cc1 7361110 SGINHKUZGGGMMT-UHFFFAOYSA-N 309.362 3.198 0 40 DGAB O=C(O)c1ccc(COc2ccc(C(=O)O)cc2Cl)cc1 7604093 VDPBTDMFXYLIJS-UHFFFAOYSA-N 306.701 3.315 0 40 DGAB CCn1c(S[C@H](C)C(=O)Nc2ccccc2)nnc1C1CC1 7618478 DYTRBUPZMZOGBM-LLVKDONJSA-N 316.430 3.295 0 40 DGAB Oc1nc(NCc2ccco2)nnc1Cc1ccccc1Cl 8673169 XJCGGZLTOZCARD-UHFFFAOYSA-N 316.748 3.027 0 40 DGAB Cc1ccc2c(c1)CC[C@@H]2NS(=O)(=O)Cc1ccccc1 57019723 XHIGQQUVMZQKHU-KRWDZBQOSA-N 301.411 3.102 0 40 DGAB CC(C)CNC(=O)CSCc1cccc(Br)c1 58172677 CCNRIQNEAOHFRS-UHFFFAOYSA-N 316.264 3.455 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@H](C)OC[C@@H]2CCCCO2)cc1 57992894 SHUHFCFDACYGLM-MPGHIAIKSA-N 319.445 3.400 0 40 DGAB COc1ccc(C(=O)[C@H](C)OC(=O)c2cccc(F)c2)cc1 11565744 PSWPSGVJAGXEGM-NSHDSACASA-N 302.301 3.263 0 40 DGAB O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1cccnc1 24535709 FVJFTCWJNODJST-KRWDZBQOSA-N 310.401 3.040 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)Sc2nnc3ccccn23)c1 2627446 IETRRYODODVNKQ-GFCCVEGCSA-N 312.398 3.157 0 40 DGAB Cc1nc2n(n1)[C@H](c1ccccc1)C=C(c1ccccc1O)N2 10156717 IZBGDZOHRVZUKI-INIZCTEOSA-N 304.353 3.348 0 40 DGAB C[C@H](c1nccs1)N1CCC[C@@H](NC(=O)OC(C)(C)C)C1 101682214 HVCIVELHPPBFAB-VXGBXAGGSA-N 311.451 3.193 0 40 DGAB CN1C(=O)C(C)(C)COc2cc(NC(=O)c3ccccc3)ccc21 10972029 UGJHBXWCJDKDTD-UHFFFAOYSA-N 324.380 3.320 0 40 DGAB O=C(O)[C@H]1CC=CC[C@H]1C(=O)Nc1cccc2c(O)cccc12 12767539 DVJFMQJNMPVCAA-KGLIPLIRSA-N 311.337 3.151 0 40 DGAB CCc1ccccc1NC(=O)CCNC(=O)c1ccccc1C 12764702 HFRINYQOTTXAIB-UHFFFAOYSA-N 310.397 3.316 0 40 DGAB COc1cccc(CN(C)CC(=O)N[C@@H](C)c2cccs2)c1 12886902 WYCIPFVHCRYPHJ-ZDUSSCGKSA-N 318.442 3.066 0 40 DGAB Cc1ccccc1NC(=O)[C@@H](NC(=O)c1ccccc1)C(C)C 3481621 NVYJXRRPEMDADO-KRWDZBQOSA-N 310.397 3.388 0 40 DGAB Cc1ccc(C)c(OCC(=O)Nc2nnc(C3CC3)s2)c1 3550909 AVQWTBSVEXKZTP-UHFFFAOYSA-N 303.387 3.050 0 40 DGAB CN(CCOc1ccc(F)cc1)C(=O)c1ccc(O)c(Cl)c1 13004300 PCJPDSPADPNPSE-UHFFFAOYSA-N 323.751 3.336 0 40 DGAB c1csc(-c2nc(CN3CCn4ccnc4C3)cs2)c1 97201082 JYAVSQAEIGXOGR-UHFFFAOYSA-N 302.428 3.084 0 40 DGAB CCn1c(SCc2ccc(C(=O)OC)o2)nc2cc(S(=O)(=O)N3CCCCC3)ccc21 97372535 VLYIBGRVJRFPIQ-YLVJLNSGSA-N 463.581 3.903 0 40 DGAB Cc1nc(SCC(=O)NC2CCCC2)n(CC(C)C)c1C 5262839 PSTJCYDIQYBSDD-UHFFFAOYSA-N 309.479 3.307 0 40 DGAB O=C(Nc1ccccc1)N(Cc1cccnc1)C[C@H]1CCCO1 6399655 WCAAATZMQGPXQY-QGZVFWFLSA-N 311.385 3.295 0 40 DGAB O=C(NCC(F)(F)F)c1ccccc1NC(=O)C1CCCC1 5336127 JXFKMTDDEUAENV-UHFFFAOYSA-N 314.307 3.107 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)Nc1ccc(O)c(Cl)c1 95395323 CYPLKZHNLBDQBQ-QHHAFSJGSA-N 317.728 3.426 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@@H]2CCCSc3ccccc32)C1 95423777 BGQACXYVQHGKIC-GDBMZVCRSA-N 318.486 3.460 0 40 DGAB O=C(CCN1C(=O)CSc2ccccc21)Nc1ccccc1 5403352 KUFVYVAXDXCTPD-UHFFFAOYSA-N 312.394 3.154 0 40 DGAB Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccccc1F)N(C)C3=O 5575856 LGQROYYGOSSWDF-MRXNPFEDSA-N 323.323 3.416 0 40 DGAB CSc1nc(NC[C@@H](C)O)c2sc3c(c2n1)CCCC3 6669711 ASCSAKYBPWKMKV-MRVPVSSYSA-N 309.460 3.085 0 40 DGAB O=C(Nc1ccc(OCCc2ccncc2)cc1)c1ccc[nH]1 66423759 OGUQGVQESBPBRT-UHFFFAOYSA-N 307.353 3.284 0 40 DGAB CCO[C@@H](C)c1nc(CSc2ncnc3nc[nH]c23)cs1 96424930 KZLHAGVDXNCSNM-QMMMGPOBSA-N 321.431 3.199 0 40 DGAB Cc1csc2nc(CN3CCC[C@@H]4CCCC[C@@H]43)cc(=O)n12 67132630 RRFNNMHBODCXBF-ZFWWWQNUSA-N 317.458 3.219 0 40 DGAB c1csc(-c2cnc(CSc3nc4ncccn4n3)o2)c1 67428998 HDQKSILDDDUMCC-UHFFFAOYSA-N 315.383 3.133 0 40 DGAB Cc1cc(C)c(CNC(=O)/C=C/c2ccc(C(C)C)cc2)c(=O)[nH]1 7118251 HHWUTTDSDUWVGI-JXMROGBWSA-N 324.424 3.445 0 40 DGAB CCCCn1nnnc1NCc1cccc(Cl)c1Cl 7262205 YNPIPWZJHWLWRH-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB CCOc1ccc(N[C@@H](CC)C(=O)Nc2nccs2)cc1 7460405 RWZDGOLZXMSQKV-ZDUSSCGKSA-N 305.403 3.371 0 40 DGAB Cc1ccc2c(COC(=O)Cc3ccsc3)cc(=O)oc2c1 7650981 WDVSZUKWZMEAIV-UHFFFAOYSA-N 314.362 3.449 0 40 DGAB O=C(NCCSCc1ccccc1)c1ccc2c(c1)OCO2 7642491 IGXCTTOYJXYPDW-UHFFFAOYSA-N 315.394 3.079 0 40 DGAB CO[C@](C)(C(=O)Nc1ccc(-c2nnco2)cc1)c1ccccc1 71882630 HOPQTEJKQNSZOE-SFHVURJKSA-N 323.352 3.237 0 40 DGAB Cc1cc(C)n(C2CN(Cc3ncc(-c4ccccc4)o3)C2)n1 71880607 FHMIXDDBRGFALE-UHFFFAOYSA-N 308.385 3.212 0 40 DGAB CC(C)OC1CCC(NC2CCN(c3nccs3)CC2)CC1 90771976 ONOXMZZRTMWOER-UHFFFAOYSA-N 323.506 3.438 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc2cccnc12 84637110 GDFRPGJCGWULAS-RDTXWAMCSA-N 320.392 3.477 0 40 DGAB O=C(Nc1nnc(-c2ccc(F)cc2)[nH]1)c1ccccc1F 8116745 VZGRGDGDKCABHP-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB C[C@H](Cn1cccn1)NCc1csc(-c2ccc(F)cc2)n1 69375441 LGRYESQHVNGRBN-GFCCVEGCSA-N 316.405 3.324 0 40 DGAB Cc1n[nH]cc1CNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 69397216 RTHNGMPTIRJHJU-NWDGAFQWSA-N 324.211 3.445 0 40 DGAB COC(=O)c1sc(NC(=O)Nc2ccccc2F)nc1C 8395159 YYGIHWQEWKCSAI-UHFFFAOYSA-N 309.322 3.021 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F 95410456 ZQBGHHMWLOJLDG-IMJJTQAJSA-N 319.424 3.073 0 40 DGAB CCCn1nccc1C(=O)NCc1cccc(C(F)(F)F)c1 28304175 TXSJOANRCNGVPN-UHFFFAOYSA-N 311.307 3.242 0 40 DGAB Oc1cccc(CNCc2cnn(-c3ccc(F)cc3F)c2)c1 69774401 LTKCAJQDMOJHBA-UHFFFAOYSA-N 315.323 3.146 0 40 DGAB O=C(CCc1ccc(F)cc1)N1CCCC[C@@H]1Cn1cccn1 69971475 WMFJNFUWQIIHJS-QGZVFWFLSA-N 315.392 3.036 0 40 DGAB CCOc1ccc(C(=O)NCCCC(C)(C)CO)cc1OCC 84810573 ZUIGYCIPCQJBEX-UHFFFAOYSA-N 323.433 3.013 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(F)c(F)c2)c1 9882970 BZCQLUVNIDVRQE-UHFFFAOYSA-N 318.323 3.032 0 40 DGAB O=C(C[C@@H]1CCCO1)NCCCO[C@@H]1CCCc2ccccc21 70874891 CLFPMDCAWXDJTL-FUHWJXTLSA-N 317.429 3.156 0 40 DGAB Cc1csc([C@@H](NC(=O)NCc2ncccc2C)C2CC2)n1 74106714 GWRPHWTZNLSVNE-AWEZNQCLSA-N 316.430 3.105 0 40 DGAB CCCNC(=O)C1(NCc2cccc(OCC)c2)CCCCC1 95943537 OWMHCTFMXHMWED-UHFFFAOYSA-N 318.461 3.404 0 40 DGAB CCS(=O)(=O)CCN[C@H]1CCc2c(Cl)cc(Cl)cc21 89701228 OYAJAFLLEMOFHK-ZDUSSCGKSA-N 322.257 3.005 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@H]1CN(Cc1ccccc1)C2 114859455 GRRBFNOHAKKYQT-HOTGVXAUSA-N 302.418 3.128 0 40 DGAB COc1ccc(CC(=O)NC[C@H](C)c2ccccc2)cc1OC 36622262 QWIXTSFMQLXZMJ-AWEZNQCLSA-N 313.397 3.166 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)COc1cccc(CN)c1 36720781 WOFFZYHZDMAGAC-UHFFFAOYSA-N 304.777 3.125 0 40 DGAB Brc1ccc(C2(c3cc[nH]n3)CCOCC2)cc1 524734722 HOWHFWZQHMNXBG-UHFFFAOYSA-N 307.191 3.269 0 40 DGAB COc1ccc(NC(=O)COc2ccc(C(C)C)cc2)c(N)c1 70462877 UIYTXAABYLZROV-UHFFFAOYSA-N 314.385 3.418 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)[C@@H]2Cc3ccccc3O2)s1 71883131 JVKXDWPVOFSAGO-NHYWBVRUSA-N 316.426 3.283 0 40 DGAB CCOC(=O)N(C)c1ccc(N[C@H](C)c2nnc(C)o2)cc1 79029782 IQXILLJRIRTAGD-SNVBAGLBSA-N 304.350 3.144 0 40 DGAB C[C@H](NC1CCN(C(=O)OC(C)(C)C)CC1)c1ccccn1 72203888 OQBKQIPWYLIFHE-ZDUSSCGKSA-N 305.422 3.132 0 40 DGAB Cc1ccc([C@H](C)NC(=O)c2ccc(-n3cccn3)nc2)cc1 45175415 DIMATMFHIZLWDO-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cc(C)n(C)c1C 222779740 BLSLRQPQWUCVPF-HOTGVXAUSA-N 314.458 3.029 0 40 DGAB CCCOc1ncc(NC(=O)C(Cl)(Cl)Cl)cc1C 225879307 HJEHDSIWTCVLFU-UHFFFAOYSA-N 311.596 3.488 0 40 DGAB COC[C@@H](C)Oc1ccc(NC(=O)C(C)(C)OC)cc1Cl 225600547 MKUFCBYSESUVOB-SNVBAGLBSA-N 315.797 3.117 0 40 DGAB Cc1cc(C)n(C[C@H](O)c2ccc(F)c(Br)c2)n1 191383733 RYLPNXIDBULHMA-ZDUSSCGKSA-N 313.170 3.135 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@H](CN)c2ccccc2)CC1 82319027 SEAQTUJDNFHLCL-MRXNPFEDSA-N 304.434 3.376 0 40 DGAB C[C@H]1OCC[C@@]1(C)NC(=O)c1ccc(-c2ccccc2F)o1 332223383 ZAFLASWCWZQRCU-PIGZYNQJSA-N 303.333 3.383 0 40 DGAB Cc1cc(OCC(=O)N2C[C@H](C)OC(C)(C)C2)ccc1Cl 96345972 VHOXNWBAKGTZLX-LBPRGKRZSA-N 311.809 3.053 0 40 DGAB O=C(c1cccs1)N1CCC[C@]2(CCN(CC3CC3)C2)C1 96047029 NUJKJYXWPORSIH-QGZVFWFLSA-N 304.459 3.086 0 40 DGAB Cc1csc([C@@H](NC(=O)Cc2ccc(F)cc2)C2CC2)n1 96425447 WXFBMLUFJXMAOV-HNNXBMFYSA-N 304.390 3.401 0 40 DGAB O=C(O)c1coc(CN(C2CC2)[C@@H]2CCCc3ccccc32)n1 580202323 WTONMCFPZKKUIL-MRXNPFEDSA-N 312.369 3.415 0 40 DGAB CC(C)CN1C[C@H](c2ncc(-c3ccccc3F)[nH]2)CC1=O 23367285 FJTSXPRHSAMHDF-GFCCVEGCSA-N 301.365 3.188 0 40 DGAB O[C@H]1C[C@H](c2cc(F)ccc2F)N(Cc2cnoc2C2CC2)C1 583614649 JOVPHZLRNMOCDD-XJKSGUPXSA-N 320.339 3.138 0 40 DGAB CCN1C(=O)CC[C@]12CCCN(Cc1ccc(OC)cc1)CC2 96047503 PIWSGRUGPRICNF-IBGZPJMESA-N 316.445 3.062 0 40 DGAB COc1cc(Cl)ccc1C(=O)Nc1ccc([S@](C)=O)cc1 96427000 KWHGPAOAJOELNP-OAQYLSRUSA-N 323.801 3.338 0 40 DGAB O=C1N(Cc2ccccc2)CC12CCN(CC1CCCC1)CC2 96202908 QDSITWIASGGFKY-UHFFFAOYSA-N 312.457 3.301 0 40 DGAB CCCn1cc(NC(=O)c2cnn(-c3ccccc3)c2C)cn1 96431417 KZCQYVMXNNZQIC-UHFFFAOYSA-N 309.373 3.040 0 40 DGAB c1ccc(CN2CCC[C@@]3(CCN(Cc4ccoc4)C3)C2)nc1 96046944 NAVOQRSEMVYFPF-LJQANCHMSA-N 311.429 3.163 0 40 DGAB Cn1nc(CNC(=O)c2c(F)cccc2Cl)cc1C1CC1 96099311 XRLVQZSLRYURMP-UHFFFAOYSA-N 307.756 3.020 0 40 DGAB CC1=C[C@H](C)[C@H]([C@H]2NC(N)=Nc3nc4ccccc4n32)[C@@H](C)C1 245237949 MPVKDSOURSACLP-APYUEPQZSA-N 309.417 3.323 0 40 DGAB CC[C@H](C)n1nc(C(=O)O)cc1CNCc1ccc(F)s1 256053573 RZHXIZNAGNFDBD-VIFPVBQESA-N 311.382 3.043 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)CN3CCCCCC3)C2)s1 257282743 OVCKSESAHHWLHR-OAHLLOKOSA-N 321.490 3.034 0 40 DGAB Cc1c[nH]c([C@H]2CCN(C(=O)c3ccc(F)c(Cl)c3)C2)n1 257342608 ZPKVUQNDVYSLIR-NSHDSACASA-N 307.756 3.140 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(Br)o2)cc1F 21865749 FDSSTXWPGZXGBL-UHFFFAOYSA-N 312.138 3.420 0 40 DGAB CCOC(=O)c1ccc(C(=O)C(F)(F)Br)s1 390292864 ZLMYELGHPUTSQM-UHFFFAOYSA-N 313.119 3.095 0 40 DGAB COC[C@@H](NC(=O)c1cc(F)c(F)c(F)c1)c1ccc(C)o1 76093578 MFSBVUIRRQEAGF-GFCCVEGCSA-N 313.275 3.123 0 40 DGAB C[C@@H](Cc1nc(-c2ccccc2)no1)NC(=O)C1(C)CC=CC1 1548449113 SMYADKABZVFCNQ-ZDUSSCGKSA-N 311.385 3.140 0 40 DGAB COc1ccc(NC(=O)COc2cc(C)cc(C)c2)c(OC)c1 5539587 HUKFFQSQEBRNHC-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CC(=O)Nc1ccc(NCc2cc3ccc(C)cc3[nH]c2=O)cc1 12144329 MIVXJKODIWIJRW-UHFFFAOYSA-N 321.380 3.407 0 40 DGAB O=C(/C=C/c1ccc(Cl)cc1)NCc1ccc(C(=O)O)cc1 13166208 JQRYIHOWDZUFRM-BJMVGYQFSA-N 315.756 3.368 0 40 DGAB CCCCC(=O)Nc1cccc(C(=O)Nc2c(C)n[nH]c2C)c1 14404664 YTLJUWGOCOJVHK-UHFFFAOYSA-N 314.389 3.408 0 40 DGAB Cc1ccsc1C(=O)Nc1ccccc1C(=O)NC1CC1 16015556 ZUIAKQBJZHGZRM-UHFFFAOYSA-N 300.383 3.201 0 40 DGAB O=C(Nc1ccc([C@H]2CCc3nncn3C2)cc1)C1CCCC1 19699030 LZNOVMCFXAJUNK-HNNXBMFYSA-N 310.401 3.137 0 40 DGAB Cc1ncc(C(=O)Nc2ccc(Br)cc2)c(C)n1 19936955 CRZUXYWJCXIRSQ-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CCOC(=O)C(=O)c1c[nH]c2ccc(OCc3ccccc3)cc12 1701690 GEOTYZHKCQCORI-UHFFFAOYSA-N 323.348 3.493 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc21)N1CCCc2ccccc21 15349963 VMOWCFGFBJPALP-OAHLLOKOSA-N 306.409 3.417 0 40 DGAB CN1c2ccccc2N(Cc2cccc(Cl)c2)S1(=O)=O 245170825 XHZIMBPYXBRSAE-UHFFFAOYSA-N 308.790 3.041 0 40 DGAB CCn1cc(SCC(=O)NC[C@@H]2CCCO2)c2ccccc21 4060525 AXWYYLPYIUBAKN-ZDUSSCGKSA-N 318.442 3.049 0 40 DGAB O=C(NCc1cncc(-c2ccco2)c1)OCc1ccccn1 575617566 FULFOUPLSKCDPG-UHFFFAOYSA-N 309.325 3.163 0 40 DGAB Cn1cc([C@H](O)CNC(=O)/C=C/c2ccccc2)c2ccccc21 96096408 IZHKBVKSHPJJCU-TZZQJPOUSA-N 320.392 3.041 0 40 DGAB CC(=O)Nc1scc(-c2ccc(Cl)s2)c1C(N)=O 2801106 CPDHKCOVEKOFQA-UHFFFAOYSA-N 300.792 3.187 0 40 DGAB Oc1nncc(N2CCC(OCc3ccccc3)CC2)c1Cl 40018069 WGIRURVRSJQCIV-UHFFFAOYSA-N 319.792 3.021 0 40 DGAB COc1ccc([C@H](NCc2ccc(C)o2)c2nccn2C)cc1 30650883 ORWOJWUGAVBZDF-KRWDZBQOSA-N 311.385 3.209 0 40 DGAB CN1[C@H]2CCC[C@H]1CC(NC(=O)C13CC4CC(CC(C4)C1)C3)C2 101348412 YGRNEYIIVHPWGT-LUJKNUAXSA-N 316.489 3.334 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3C[C@H](C)OC[C@H]3C)cs2)cc1 32797045 SSJISBGLEHXDOP-OLZOCXBDSA-N 316.426 3.368 0 40 DGAB CCCN1C(=O)[C@@](O)(c2c(C)[nH]c3ccccc23)c2ccccc21 565268 NGJKYDCMESZUJS-FQEVSTJZSA-N 320.392 3.469 0 40 DGAB Nn1c(SCc2ccc(F)cc2)nnc1C1CCCCC1 531067 GIQUICCRBDAQDO-UHFFFAOYSA-N 306.410 3.471 0 40 DGAB O=c1c2ccccc2nc2sc(Nc3ccc(F)cc3)nn12 425045 ZWRDUJOJCDNBJF-UHFFFAOYSA-N 312.329 3.187 0 40 DGAB NC(=O)c1ncc(C(F)(F)F)cc1Oc1cccc(F)c1 1391405 KBTHNNVIBNKOBX-UHFFFAOYSA-N 300.211 3.131 0 40 DGAB O=C(COC(=O)c1ccc(F)cc1)Nc1cccc(Cl)c1 1972426 FWSXBYLPJBZTEN-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB C[C@H]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(O)c2)N3)C1 2492934 MLSHBEREGCKTBW-VFZGTOFNSA-N 314.410 3.433 0 40 DGAB Cc1ccc(NC(=O)CSC(=S)N(C)C)c(Cl)c1 3432907 ODKTXWOAJBNISM-UHFFFAOYSA-N 302.852 3.167 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)Nc1cccc(C)c1C 4201543 GJUJHYNSVCILBH-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB O=C(CSc1ccc(-c2ccncc2)nn1)Nc1ccccc1 4391881 POMMKZPXNOKXBD-UHFFFAOYSA-N 322.393 3.269 0 40 DGAB CCN1CCN(c2ccc(Cl)cc2NC(=O)C2CCC2)CC1 5089701 SOAIREIEWTUYCZ-UHFFFAOYSA-N 321.852 3.221 0 40 DGAB C[C@H](OC(=O)c1ccccc1)C(=O)NCCC1=CCCCC1 5128458 BQBRRYBFQMZKGG-AWEZNQCLSA-N 301.386 3.239 0 40 DGAB O=C(Cn1cnc2ccccc21)N[C@@H]1CCCc2ccccc21 5199019 VVOCXWWKXSKHCN-MRXNPFEDSA-N 305.381 3.230 0 40 DGAB CC(C)OCCCn1cnc2c([nH]c3cccc(Cl)c32)c1=O 5577342 IZMBUJCPMLJLON-UHFFFAOYSA-N 319.792 3.346 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc3c(c2)OCCO3)cc1F 5702018 UFSBHVYPRYYDML-UHFFFAOYSA-N 301.317 3.087 0 40 DGAB COc1cc(OC)c(C=C2C(=O)c3ccccc3C2=O)c(OC)c1 5915305 DINWEULWHZPNNS-UHFFFAOYSA-N 324.332 3.175 0 40 DGAB CCOc1ccc(S(=O)(=O)NCCC2=CCCCC2)cc1 6314997 YWHDHVGRXVBLMW-UHFFFAOYSA-N 309.431 3.254 0 40 DGAB O=C(OCc1nc(-c2cccs2)no1)c1cccnc1Cl 7171491 NLOVGPVGBPDBCW-UHFFFAOYSA-N 321.745 3.204 0 40 DGAB COc1ccc(C)cc1N[C@H](C(=O)NC1CC1)c1ccccc1 7370231 JTHMYELKMULMIY-SFHVURJKSA-N 310.397 3.435 0 40 DGAB CC(C)c1ccc(NC(=O)[C@H]2CS[C@]3(C)CCC(=O)N23)cc1 7842968 UTIHNLQUJYQOLB-RHSMWYFYSA-N 318.442 3.203 0 40 DGAB COc1cc(OC)c2c(/C=C\c3cc[n+](C)cc3)cn(C)c2c1 8742570 YLUXUKBJHJSPGB-UHFFFAOYSA-N 309.389 3.190 0 40 DGAB CC(C)N(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccco1 8964423 SMJGUOUVSGYYTM-UHFFFAOYSA-N 310.353 3.172 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)n(C)n1 9122412 XDJFZBVAFAKXAV-UHFFFAOYSA-N 316.361 3.243 0 40 DGAB CC(=O)c1cccc(NC(=O)c2coc3ccccc3c2=O)c1 9434123 JWNMFKAUAMMWRL-UHFFFAOYSA-N 307.305 3.248 0 40 DGAB COc1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1OC 9455985 GOTIKFJCRDSXGW-LLVKDONJSA-N 319.332 3.249 0 40 DGAB O=C(Nc1ccnn1Cc1ccc(Cl)cc1)c1ccccn1 9530713 AZJXVEYRCZIPEC-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB COc1ccc2c(CC(=O)Nc3ccccc3C)cc(=O)oc2c1 9705136 DNNGLEWJJMYIOX-UHFFFAOYSA-N 323.348 3.291 0 40 DGAB COc1ccc(NC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 9908907 OOSMLHGZNPONDG-UHFFFAOYSA-N 312.369 3.396 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CCc1c(C)nn(C)c1C 9953188 NJHPIBRVHCUKPJ-UHFFFAOYSA-N 321.808 3.270 0 40 DGAB CCCn1c(O)nnc1SCc1cccc2cccnc12 11388202 ZPRGDQYIBRPDJN-UHFFFAOYSA-N 300.387 3.234 0 40 DGAB COc1cccc(NC(=O)CCc2ccc3c(c2)OCCO3)c1 12924245 XBXPHWXAQGKDFS-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB CC(C)OC(=O)c1ccc(Nc2ncccc2C(=O)O)cc1 13091594 HOLYZHUUSPVSLR-UHFFFAOYSA-N 300.314 3.089 0 40 DGAB Cc1cccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)c1 13131592 FCTTYNTXDHFHFS-HOTGVXAUSA-N 323.375 3.454 0 40 DGAB aggregator COCCn1c(N)c(C(=O)Nc2ccccc2C)sc1=S 13547202 RWKFJPRKTBYVHN-UHFFFAOYSA-N 323.443 3.068 0 40 DGAB COc1ccc(/C=C2/N=C(c3cccc(OC)c3)C(=O)O2)cc1 13616834 YLWSUGRDAFWXTP-YBEGLDIGSA-N 309.321 3.048 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1ccc(F)cc1F 14077321 VKGRWZVKXUAOAR-UHFFFAOYSA-N 316.263 3.062 0 40 DGAB CC[C@@H](NCc1ccc(Cl)cc1)C(=O)Nc1cc(C)on1 14186012 PXDLIQKUTGHJHM-CYBMUJFWSA-N 307.781 3.143 0 40 DGAB CCc1ccc(CN(C)[C@H](C)C(=O)NCc2cccs2)cc1 16374003 CITATHCOBKLGTL-CQSZACIVSA-N 316.470 3.447 0 40 DGAB CCn1nccc1-c1cc(N[C@H](C)c2ccccn2)nc(C)n1 19655705 DJOWHLHHWLLVII-GFCCVEGCSA-N 308.389 3.237 0 40 DGAB COc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)cc1 20568055 FRVBROKHLSWHDF-UHFFFAOYSA-N 321.398 3.283 0 40 DGAB CC(C)C[C@@H](C(=O)Nc1ccncc1)N1Cc2ccccc2C1=O 20722766 DOJKCAMWHYCMJI-KRWDZBQOSA-N 323.396 3.091 0 40 DGAB O=C(c1cc(Cl)c2c(c1)OCO2)N1CCc2sccc2C1 21627653 YZKPNJOYJFGOGB-UHFFFAOYSA-N 321.785 3.329 0 40 DGAB Fc1ccc([C@H]2C[C@@H](c3cccs3)n3nnnc3N2)cc1 21653299 QALOYDAHLXYTRL-NEPJUHHUSA-N 301.350 3.020 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)c1occc1C 21960997 LDHNGRCXOXCBHS-UHFFFAOYSA-N 300.402 3.360 0 40 DGAB Cc1nc(CNCc2cccc(NC(=O)C(C)C)c2)cs1 25061439 NLHYOBIJMIMRJO-UHFFFAOYSA-N 303.431 3.336 0 40 DGAB O=C(CNc1cccc(OCc2ccc(F)cc2)c1)NC1CC1 26787614 KKXZZLRGCOGTML-UHFFFAOYSA-N 314.360 3.095 0 40 DGAB CC(C)c1noc([C@@H](C)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)n1 26985013 LWIRWEZKVZWAOB-ZJUUUORDSA-N 316.361 3.086 0 40 DGAB O=C1CSc2ccccc2N1C(=S)NCc1ccccc1 28527550 HFNMUGDJKCXZEK-UHFFFAOYSA-N 314.435 3.200 0 40 DGAB CC(C)(C)SCC(=O)Nc1ccccc1N1CCCC1=O 28751104 XGOAZRKCDKUBCA-UHFFFAOYSA-N 306.431 3.284 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1ccccc1F)N2 30540724 NLMNFLMNAGLSQK-INIZCTEOSA-N 316.332 3.039 0 40 DGAB O=C(NCCc1ccc(OC(F)F)cc1)NCc1ccccc1 32814639 RWTZOSWNLIHUEU-UHFFFAOYSA-N 320.339 3.330 0 40 DGAB O=C1C[C@H](c2nc(C3CC3)no2)CN1c1cccc(Cl)c1 38488353 DOVVHKWEYKCOSH-JTQLQIEISA-N 303.749 3.121 0 40 DGAB c1coc(CNc2nc(NC[C@@H]3CCCO3)c3ccccc3n2)c1 41152013 QPHKSNGDGIUOKO-ZDUSSCGKSA-N 324.384 3.426 0 40 DGAB O=C(CSc1nccn1C1CC1)N1CCC[C@@H]2CCCC[C@H]21 42639470 PHOXKUGAPATIDJ-DZGCQCFKSA-N 319.474 3.491 0 40 DGAB Cc1ccccc1CS(=O)(=O)N[C@@H]1CCCc2ccccc21 44886478 GUZGIMLOEBMWAC-GOSISDBHSA-N 315.438 3.492 0 40 DGAB COc1ccc(C)cc1C(=O)CCC(=O)Nc1nccs1 44890946 OVRRHSIWNJOPSB-UHFFFAOYSA-N 304.371 3.062 0 40 DGAB CCc1ccc([C@@H](C)NCC(=O)N(C)Cc2ccco2)cc1 49604852 FRWMBCHIHYBKSD-CQSZACIVSA-N 300.402 3.151 0 40 DGAB COc1ccccc1CN(c1nn2cc(C)nc2s1)C1CC1 52472681 OFNFQMBLNOPXCE-UHFFFAOYSA-N 314.414 3.277 0 40 DGAB O=C(Nc1ccc(OC[C@@H]2CCCO2)cc1)OCC(F)(F)F 58159376 RQEDHLZTGAIREO-LBPRGKRZSA-N 319.279 3.355 0 40 DGAB O=C(CCC(=O)c1ccccc1)Nc1cccc(-n2ccnc2)c1 58226427 YLIOUDUWGSJCPL-UHFFFAOYSA-N 319.364 3.474 0 40 DGAB c1csc(-c2nc(CNCc3cccc4c3OCO4)co2)c1 64411878 VCYRFGUAQATLDH-UHFFFAOYSA-N 314.366 3.422 0 40 DGAB CCc1ccc(NC(=O)c2ccc(N3CCOC3=O)cc2)cc1 65520416 WVJGYTOVKDKRRR-UHFFFAOYSA-N 310.353 3.458 0 40 DGAB CN(Cc1nnc2ccccn12)C(=O)c1cccc2ccccc12 69367344 FCHORUAAEJSWOR-UHFFFAOYSA-N 316.364 3.155 0 40 DGAB Cc1ncc2c(n1)CN(Cc1coc(-c3cccc(F)c3)n1)CC2 69490452 YMGVCJZVFSOKDF-UHFFFAOYSA-N 324.359 3.137 0 40 DGAB Cc1ccc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c(C)c1 69491145 JFFBXAMQXCQVKC-UHFFFAOYSA-N 324.428 3.319 0 40 DGAB Cc1cc(NC(=O)c2ccc(-c3ccsc3)nc2C)n(C)n1 69569449 QXQVOTBZWZCENR-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB COc1ccc(CNC(=O)C(C)(C)C)cc1Br 69583199 HWZFFWVHVBCYQX-UHFFFAOYSA-N 300.196 3.120 0 40 DGAB C/C(=C\C(=O)NCc1c(C)cc(C)[nH]c1=O)CCc1ccccc1 71185739 MXFPLZVGGNIILC-SDNWHVSQSA-N 324.424 3.187 0 40 DGAB CCCSCc1nc(CC(=O)Nc2ccccc2C)no1 71186199 WFSFQQGSHPRRHU-UHFFFAOYSA-N 305.403 3.202 0 40 DGAB O=C([C@@H]1Cc2ccccc2O1)N1CCCC[C@H]1c1nccs1 72272084 PKOYOTWUZRCFLW-ZFWWWQNUSA-N 314.410 3.200 0 40 DGAB CCc1ccc2nc(NC(=O)N(C)CC(C)(C)O)sc2c1 72306063 SVVRHLHUQJGCFW-UHFFFAOYSA-N 307.419 3.093 0 40 DGAB Fc1ccc(CN2CC[C@@H](c3nc(-c4ccncc4)no3)C2)cc1 72389902 YGJZQWOLNDWXFI-OAHLLOKOSA-N 324.359 3.260 0 40 DGAB CCO[C@@H](C)c1nc(CN(C)C(=O)c2ccc(F)nc2)cs1 72500808 ZTVODIUNFCXJJE-JTQLQIEISA-N 323.393 3.047 0 40 DGAB C[C@H](NCc1cnn(Cc2ccccc2Cl)c1)[C@H]1CCCO1 75782962 DOJYUXLIHXRZBI-SUMWQHHRSA-N 319.836 3.242 0 40 DGAB FC(F)(F)c1ccc(O[C@H]2COCCN(CC3CC3)C2)cc1 77265618 HALDFWAKKUNNAR-OAHLLOKOSA-N 315.335 3.195 0 40 DGAB biogenic,in-vitro Cc1cc(C)cc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)c1 78403860 XTXUHBDWCGFONF-ZDUSSCGKSA-N 316.426 3.461 0 40 DGAB CN(C)[C@H](C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1ccccc1 83847827 CDKZWNRCMRIKBO-KURKYZTESA-N 312.388 3.101 0 40 DGAB Cc1noc(C)c1NS(=O)(=O)c1cccc(C(F)(F)F)c1 84025628 NYRVNPXZQBMGBL-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB Cc1nccn1CC1CCN(C(=O)Nc2cccs2)CC1 85436369 DLIYFCUDFSXMPB-UHFFFAOYSA-N 304.419 3.197 0 40 DGAB Cn1nc(CNC(=O)/C=C/c2cccs2)cc1-c1ccco1 85471317 LJTSIGWMALEJNB-VOTSOKGWSA-N 313.382 3.071 0 40 DGAB CC(C)Oc1ccc(C(=O)N2CC[C@H](c3ccccn3)C2)cc1 85472926 GGHRDBNXLHXHEN-INIZCTEOSA-N 310.397 3.499 0 40 DGAB O=C(NCCn1ccnc1)[C@@H]1C[C@H]1c1ccc(Cl)cc1Cl 89768388 FARGBIAXWQIFOO-QWHCGFSZSA-N 324.211 3.110 0 40 DGAB O=C(Nc1ccc(-n2nccn2)cc1)c1cccc2ncccc12 89774360 TUWXXJVXCDGKCS-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CN(Cc1nccs1)C(=O)Nc1ccc2c(c1)CCCO2 95405904 IAZHOTFDVAUPGC-UHFFFAOYSA-N 303.387 3.132 0 40 DGAB O=C(Nc1cc(F)ccc1Br)c1cscn1 95411509 QUYLTTSTMHDPNC-UHFFFAOYSA-N 301.140 3.297 0 40 DGAB CC(=O)CCCCOC(=O)c1cccc(NC(=O)NC(C)C)c1 95418096 ICJCOFXEMIBGEQ-UHFFFAOYSA-N 320.389 3.133 0 40 DGAB COc1ccc2c(c1)[C@H](NCCc1c(C)noc1C)CCCO2 95422128 VLMBVIKKVZVGSB-QGZVFWFLSA-N 316.401 3.346 0 40 DGAB CC(C)(CNC(=O)[C@H]1CCn2ccnc2C1)C1CCCCC1 95980221 VVXGVSSMTAOQEF-AWEZNQCLSA-N 303.450 3.168 0 40 DGAB Oc1ccc(CCCNC2CCN(c3nccs3)CC2)cc1 96004927 DCSFDFAOYZGQPM-UHFFFAOYSA-N 317.458 3.040 0 40 DGAB CN1CCC(CC(=O)NC(C)(C)c2cccc(Cl)c2)CC1 96012418 YBANLEDPWNBTFR-UHFFFAOYSA-N 308.853 3.423 0 40 DGAB Cc1nc(N2CCCC2)nc(C)c1NC(=O)c1cccs1 96098557 MLJLRAGHTSUZNQ-UHFFFAOYSA-N 302.403 3.007 0 40 DGAB CCOc1nnc(CN2CCSC[C@H]2c2ccccc2)s1 96406624 KMCHZQZXNOQCGQ-ZDUSSCGKSA-N 321.471 3.227 0 40 DGAB CCc1ccc([C@@H]2C[C@H](C)CCN2C(=O)Cn2cccn2)o1 96433282 SFHAYVSEPRNDBY-HIFRSBDPSA-N 301.390 3.038 0 40 DGAB CCC[C@H](C)c1cc(NC(=O)CCc2c(C)nn(C)c2C)[nH]n1 96440777 UYWAGEHBRBYRPF-NSHDSACASA-N 317.437 3.235 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)NCc1nc(C)c(C)o1 96454217 QSJJVYDUTGYFAL-AWEZNQCLSA-N 302.374 3.074 0 40 DGAB CC[C@@H]1C[C@@H](C(=O)N[C@@H](C)CC(=O)c2cccs2)CCO1 97079692 URPCWFSCNJXSNI-RWMBFGLXSA-N 309.431 3.031 0 40 DGAB Cc1csc([C@@H](NC[C@@H](O)c2ccc(F)cc2)C2CC2)n1 97110108 MZAHVEOURSYXCT-CABCVRRESA-N 306.406 3.365 0 40 DGAB CNC(=O)[C@H](Cc1ccccc1)SCc1ncc(C)s1 97114034 UPCGGMKJHTXJPA-ZDUSSCGKSA-N 306.456 3.042 0 40 DGAB O=C(Nc1ccncc1F)N[C@H]1CCCN(c2ccccc2)C1 97135595 HYJRUZFHAPNDOT-ZDUSSCGKSA-N 314.364 3.011 0 40 DGAB COc1ccc(C)nc1NC(=O)N(C)CCc1cccs1 97143154 UTGGMPYSQLKAML-UHFFFAOYSA-N 305.403 3.167 0 40 DGAB COCCn1/c(=N/C(=O)C(C)C)sc2cc(Cl)ccc21 100872502 OWQDRLVPXORUIT-PEZBUJJGSA-N 312.822 3.086 0 40 DGAB O=C(N[C@@H]1C[C@H]2CC[C@H]1O2)N1CCCCC[C@@H]1c1ccco1 110681680 AKZKVMXNFZVFRJ-KBUPBQIOSA-N 304.390 3.226 0 40 DGAB O=C(Cc1ccn[nH]1)N(Cc1ccccc1F)C1CCCCC1 174636852 QASXLQYUQCPOSH-UHFFFAOYSA-N 315.392 3.453 0 40 DGAB COCCOc1cc(C(=O)Nc2cc(Cl)ccc2C)ccn1 182325061 ORLIPCJXRIYKBR-UHFFFAOYSA-N 320.776 3.321 0 40 DGAB CCOC(=O)[C@@H](Sc1nccn2ccnc12)c1ccccc1 193560320 DZOSZVMKTBKNIT-ZDUSSCGKSA-N 313.382 3.126 0 40 DGAB COc1ccc([C@H](CC(=O)O)CC(=O)N2CCCCCC2)cc1 223101716 YYLRXLPEFLSABM-HNNXBMFYSA-N 319.401 3.046 0 40 DGAB CCOc1cccc(CN(C)S(=O)(=O)c2ccc(F)cc2)c1 223730888 WVSOMVOKLLBBPF-UHFFFAOYSA-N 323.389 3.045 0 40 DGAB CCc1ccc(CC)c(CNS(=O)(=O)c2ccc(F)cc2)c1 225000803 VFMSCNQXCSQQQJ-UHFFFAOYSA-N 321.417 3.429 0 40 DGAB O=C(O)CN(Cc1ccc(F)cc1)C(=O)c1ccccc1Cl 225318144 ABCTZDDNESYPDJ-UHFFFAOYSA-N 321.735 3.206 0 40 DGAB O=C(NCCn1ccnc1C1CC1)c1ccccc1C(F)(F)F 225566087 TXXDUCMKGJUUQZ-UHFFFAOYSA-N 323.318 3.209 0 40 DGAB CCCOc1ccc(NC(=O)C(C)(C)OC)cc1C(=O)OCC 225789030 KDVVXFWTJXHWIA-UHFFFAOYSA-N 323.389 3.016 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CN1CCC(OC[C@H]2CCOC2)CC1 252496600 PMRZOBMWZYNEMI-LNLFQRSKSA-N 307.478 3.496 0 40 DGAB c1ccc([C@H]2CN(Cc3ccc4ccccc4n3)CCO2)nc1 257209919 BSKUARWEBDUPMP-LJQANCHMSA-N 305.381 3.203 0 40 DGAB O=C(CC1CCCC1)N1CCC[C@H](c2ccc3cn[nH]c3n2)C1 257224838 FDQKXTWZGGLFDI-HNNXBMFYSA-N 312.417 3.244 0 40 DGAB FC(F)(F)c1cccc(Cc2ccc([C@@H]3CNCCO3)nc2)c1 257342266 ZNVJHGBVVSHMLD-INIZCTEOSA-N 322.330 3.352 0 40 DGAB Cc1nc(C(C)C)oc1C(=O)N1CC[C@H](C)[C@H](n2ccnc2)C1 328925019 NYIKFOLFGZHXMF-GXTWGEPZSA-N 316.405 3.026 0 40 DGAB Cc1cc(-c2nc(C(=O)O)cc3c2[nH]c2ccccc23)nn1C 575410773 GQQNPRUOACGTJZ-UHFFFAOYSA-N 306.325 3.123 0 40 DGAB O=C(c1c(F)cccc1F)N1CCC[C@@H](Oc2ccncc2)C1 575608666 ZIXXTEVUJBEKEY-CYBMUJFWSA-N 318.323 3.043 0 40 DGAB Cc1nc2ccccn2c1-c1nnc(N2CCCC2)n1CC(C)C 576989938 LFQPNBYYFSNFTH-UHFFFAOYSA-N 324.432 3.157 0 40 DGAB C[C@@H]1CCCC[C@]12CC(=O)NN2C(=O)C[C@H]1C[C@H]2CC[C@H]1C2 585128365 ZIOLMTCGMIJSNW-VAVSNJLASA-N 304.434 3.025 0 40 DGAB COc1ccc2cc(C(=O)N3CCC4(CC3)CC4(F)F)[nH]c2c1 652845433 XYGOVFIJHRTXRW-UHFFFAOYSA-N 320.339 3.438 0 40 DGAB Cc1cc(N2CCC(N(C)c3ccccn3)CC2)nc(C2CC2)n1 1889091748 NADBJLWQOQPTFE-UHFFFAOYSA-N 323.444 3.163 0 40 DGAB CCc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)O[C@H](C)CC)cc1 182139 KTWLLTABJLSWTN-BZNIZROVSA-N 316.401 3.219 0 40 DGAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccc(F)cc3)CC2)C1 317550 BLOWQNVJGWCPNR-HNNXBMFYSA-N 318.436 3.296 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@@H](N(O)c3ccccc3)C2=O)c(C)c1 522331 SOLSBNNAFWBRAZ-MRXNPFEDSA-N 324.380 3.140 0 40 DGAB CC(=O)Nc1ccc2c(c1)CN(c1cccc(C(C)=O)c1)CO2 542217 JPEJEALTTXBCCO-UHFFFAOYSA-N 310.353 3.204 0 40 DGAB O=C(N[C@H](Sc1ccc(Cl)cc1)C(=O)O)c1ccccc1 1569068 UOQJIVSXCQDZMH-CQSZACIVSA-N 321.785 3.273 0 40 DGAB O=C(COC(=O)c1ccccc1)Nc1ccc(F)c(Cl)c1 3232501 SXGXMFOUROWPHV-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB Nc1nnc(SCC(=O)c2ccc(Cl)c(Cl)c2)s1 3239047 JDSZJKHLULFXKJ-UHFFFAOYSA-N 320.226 3.402 0 40 DGAB O=C(COC(=O)c1cccc(O)c1)c1cccc(C(F)(F)F)c1 3253638 GYRSFOBZKHUYFO-UHFFFAOYSA-N 324.254 3.451 0 40 DGAB COc1ccc(CCNC(=O)c2ccc3ncsc3c2)cc1 3391466 ZRKDQBYMAWWIIJ-UHFFFAOYSA-N 312.394 3.277 0 40 DGAB CCCn1nnnc1NCc1ccc(OCc2ccccc2)cc1 3672748 ANRMKDCDBJQUJX-UHFFFAOYSA-N 323.400 3.274 0 40 DGAB CCSC1=NCCN1C(=O)c1cccc(C(F)(F)F)c1 4119778 BQPTXDZIMRSIJI-UHFFFAOYSA-N 302.321 3.270 0 40 DGAB Cc1cc(C)c(C)c(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)c1C 4554408 RSCKMXNAMUZIJU-HXUWFJFHSA-N 323.392 3.333 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)Cc1ccc(F)cc1 5634180 ZJMKQAVDRANSGE-UHFFFAOYSA-N 315.344 3.113 0 40 DGAB CCCCNC(=O)NCc1ccccc1NC(=O)NCCCC 6264316 KWBFGPIXKOGMNL-UHFFFAOYSA-N 320.437 3.208 0 40 DGAB CCCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1 6398403 QMTHVIWYVPCNHW-UHFFFAOYSA-N 313.353 3.134 0 40 DGAB Cn1c(=O)n(C)c2cc(CNC(C)(C)CC(C)(C)C)ccc21 6857413 SWTXLNNFRJALPN-UHFFFAOYSA-N 303.450 3.181 0 40 DGAB CCc1cccc(C)c1NC(=O)CCNC(=O)c1ccccc1 7652911 JFDHIDNGDBJYOQ-UHFFFAOYSA-N 310.397 3.316 0 40 DGAB CC[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccccc1 8403454 OXCOENFUYVCTEO-HNNXBMFYSA-N 320.396 3.191 0 40 DGAB C[C@H](Sc1ncc2ccccn12)C(=O)NC1CCCCC1 8710007 FYVBLXHIQXGGGL-LBPRGKRZSA-N 303.431 3.264 0 40 DGAB Cn1c(Sc2ncnc3sccc23)nnc1-c1ccco1 8746133 JXPISZXWNSOMKY-UHFFFAOYSA-N 315.383 3.231 0 40 DGAB Cc1ccc(SCCNC(=O)c2ccc3c(c2)OCO3)cc1 9449357 OMOXRVXPMYOAPL-UHFFFAOYSA-N 315.394 3.246 0 40 DGAB CCC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccc2nccnc2c1 12323419 SQZCQOLEMKWIBA-MRXNPFEDSA-N 320.352 3.311 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCCc1ccccc1 12760314 IAOVEQAKIZTVCX-VAWYXSNFSA-N 317.392 3.244 0 40 DGAB O=S(=O)(NNc1ccccc1)c1cc(Cl)ccc1Cl 12761757 ZZPXFSWCGKPLSO-UHFFFAOYSA-N 317.197 3.299 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccccc2N2CCCC2=O)c1 12767374 AWHQLFFRYHFWLQ-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB Cc1cccc(OCCN(C)CC(=O)N[C@H]2CCCC[C@H]2C)c1 12783564 WVGQWRZRUVLQHJ-AEFFLSMTSA-N 318.461 3.001 0 40 DGAB COc1ccc(CC(=O)NCCc2c[nH]c3ccccc23)cc1 12974096 KCVYCLMUHGVNEX-UHFFFAOYSA-N 308.381 3.078 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1ccc(N2CCCC2=O)cc1 13004216 AZMFWAZYXZMMSS-UHFFFAOYSA-N 322.364 3.268 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CCC[C@H]1c1cccs1 15835784 JZQMFUJVVDDRIZ-LBPRGKRZSA-N 301.367 3.454 0 40 DGAB O=C(COc1ccccc1)NCCc1ccc(N2CCCC2)cc1 16847165 NOGKAEDLQYZRJG-UHFFFAOYSA-N 324.424 3.025 0 40 DGAB COc1ccc(CNC(=O)N(C)Cc2cccc(OC)c2)cc1 17068742 FTOPNTPGEPCHRO-UHFFFAOYSA-N 314.385 3.045 0 40 DGAB [O-][n+]1cc(/C=C/c2ccccc2)[n+]([O-])cc1/C=C\c1ccccc1 18086091 LAQQVFSUYZHARX-HEEUSZRZSA-N 316.360 3.294 0 40 DGAB Cc1cnc2[nH]c([C@H]3CCCN(C(=O)c4cccnc4)C3)cc2c1 19126062 XSVIFAFIHYZTHI-HNNXBMFYSA-N 320.396 3.286 0 40 DGAB CCn1cc(CN2CCC[C@@H](c3cc4cccnc4[nH]3)C2)c(C)n1 19524540 IXTHEGPMHCWFGN-MRXNPFEDSA-N 323.444 3.467 0 40 DGAB CN1CCN(C(=O)C2c3ccccc3C=Cc3ccccc32)CC1 19853664 RUPZQTRBZUNJGZ-UHFFFAOYSA-N 318.420 3.076 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccccc3O)o2)cc1 23055359 JCTKIKKKVXMVAF-UHFFFAOYSA-N 323.352 3.322 0 40 DGAB Cc1cc(C(=O)NC[C@@H](c2ccccc2)N(C)C)sc1C 25420071 CQQCRRXNPIQQDR-HNNXBMFYSA-N 302.443 3.398 0 40 DGAB O=C(Nc1cnn(Cc2ccccc2Cl)c1)c1ccccn1 27920798 LYIYXURKLNIFBO-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB Cn1c(Cl)cnc1COC(=O)C12CC3CC(CC(C3)C1)C2 28148036 QUYRBYOXTYLAOG-UHFFFAOYSA-N 308.809 3.333 0 40 DGAB COc1cccc(SCC(=O)Nc2ccnn2C(C)C)c1 31851470 YLCFUXWWVXWBIV-UHFFFAOYSA-N 305.403 3.203 0 40 DGAB CCC(=O)Nc1nc(-c2ccc(Cl)cc2)c(CC(=O)O)s1 31976106 AKANEEQZEAONCR-UHFFFAOYSA-N 324.789 3.439 0 40 DGAB CC(=O)c1ccc(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)s1 32768764 SOZRKVFNELJZIX-SECBINFHSA-N 313.382 3.318 0 40 DGAB O=C(CCCc1nc2ccccc2[nH]1)NCc1ccc(F)cc1 32827546 MNOSKKHAJXFVNW-UHFFFAOYSA-N 311.360 3.341 0 40 DGAB COC(=O)c1ccc(NC(=O)CSc2cccs2)cc1 35221515 NYDIXDGAWFVSPT-UHFFFAOYSA-N 307.396 3.266 0 40 DGAB O=C(CCn1ncc2c(Cl)cccc21)NC1CCSCC1 40759624 OYTJAIVJGOBJBA-UHFFFAOYSA-N 323.849 3.092 0 40 DGAB O=C(N[C@@H]1CCN2CCCC[C@H]12)N1CCC[C@H]1c1cccs1 47106098 WHHMVBNUQMTYDQ-KFWWJZLASA-N 319.474 3.221 0 40 DGAB Cc1nc(-c2ccc(NC(=O)Nc3cnn(C)c3)cc2)cs1 48059962 CHGOFHQMQNECIQ-UHFFFAOYSA-N 313.386 3.496 0 40 DGAB CN(C)c1c(F)cc(NC(=O)Cc2ccc(F)cc2)cc1F 48310802 KSOVLWXEYCCHMO-UHFFFAOYSA-N 308.303 3.351 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N[C@@H](C)Cc3cc(C)n[nH]3)cc2c1 55282446 RXQYQEDSVNQXQR-LBPRGKRZSA-N 322.412 3.244 0 40 DGAB C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(F)(F)c1ccccc1 65674856 BTMDDCNPVWZPLY-KGLIPLIRSA-N 310.388 3.015 0 40 DGAB Fc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3ncccn3)C2)cc1 67868821 XSZCVZMDHRALRZ-AWEZNQCLSA-N 323.375 3.390 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccn(CCc3ccncc3)n2)o1 69418344 ONVBHUWWPUJEOZ-SNAWJCMRSA-N 322.368 3.074 0 40 DGAB CO[C@H](C)C(=O)N1CCC[C@H]1c1ccccc1C(F)(F)F 69513382 PKIAWADJEXNEEW-MFKMUULPSA-N 301.308 3.404 0 40 DGAB Cc1cc(C)cc(CN[C@@H](Cn2cncn2)c2ccccc2)c1 71796158 KBXBCZHUEBCPAQ-IBGZPJMESA-N 306.413 3.426 0 40 DGAB CCN1CC[C@@H](CNCc2c[nH]nc2-c2ccc(Cl)cc2)C1 71819612 CEZHOGHKTCCWLH-ZDUSSCGKSA-N 318.852 3.162 0 40 DGAB CC(C)c1ncc(Cl)c(C(=O)N2CCO[C@@H]3CCCC[C@H]32)n1 71839162 MQXQZJAFXLZFRP-CHWSQXEVSA-N 323.824 3.037 0 40 DGAB CC(C)(C)c1cnc(CSc2nc(=O)ccn2C2CC2)o1 71858604 FHWNKKMBEQBGBF-UHFFFAOYSA-N 305.403 3.156 0 40 DGAB CC(=O)N1CCC(c2nccnc2Cc2ccc(C)cc2)CC1 72358444 WJMPYJUQOGSCHV-UHFFFAOYSA-N 309.413 3.102 0 40 DGAB O=C(Nc1ccc(-c2nc[nH]n2)cc1)c1ccc(F)c(F)c1 75136734 CVPMKNFWXOSDCT-UHFFFAOYSA-N 300.268 3.002 0 40 DGAB CC(C)COc1ccccc1NC(=O)N[C@H](CCO)C(C)C 76069337 JUGFRPQYNPFRCB-CQSZACIVSA-N 308.422 3.250 0 40 DGAB CCCCN(C)C(=O)Nc1ccc(OC[C@@H]2CCOC2)cc1 77520046 BEMXAOIRGLAVFY-CQSZACIVSA-N 306.406 3.366 0 40 DGAB CCc1ccsc1C(=O)NC1CCN(C(=O)OC(C)C)CC1 79033888 ZXGAQPHHUTYZAE-UHFFFAOYSA-N 324.446 3.050 0 40 DGAB COCc1ccc([S@@](=O)Cc2cn3cccc(C)c3n2)cc1 83977989 JAQQCATUFPDMPI-JOCHJYFZSA-N 314.410 3.097 0 40 DGAB C[C@H](c1cccs1)S(=O)(=O)Cc1cn2ccccc2n1 83992844 DCYHOJIQHHSZRN-LLVKDONJSA-N 306.412 3.072 0 40 DGAB CCN1CCC(n2nccc2NCc2ccc(F)cc2)CC1 84789061 GCKXLPQSOPKPOS-UHFFFAOYSA-N 302.397 3.291 0 40 DGAB Cc1ccc(N2CCC(C(=O)Nc3ccc(C)c(C)c3)CC2)nn1 85470847 IYCKCDXLIFAZCO-UHFFFAOYSA-N 324.428 3.257 0 40 DGAB CCOc1cc2c(cc1NCc1nccn1CC)O[C@@H](C)C2 89310017 RDLKIDIBPKRONE-LBPRGKRZSA-N 301.390 3.237 0 40 DGAB Cc1cnc([C@H](NC(=O)[C@@H](C)N2CCCCCC2)C2CC2)s1 89702366 IKSKXXFNHVIDTF-UKRRQHHQSA-N 321.490 3.283 0 40 DGAB Fc1ccc(OC2CCN(c3nc(C4CC4)no3)CC2)cc1 89793219 KEMYHMLFMPERBP-UHFFFAOYSA-N 303.337 3.134 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)c1cnc2n1CCCC2 89814317 HAMNWPPLAUFTMB-UHFFFAOYSA-N 310.401 3.072 0 40 DGAB CC[C@@H](NC(=O)[C@@H](C)OC1CCCCCC1)c1noc(C)n1 89947995 UGVDLXHEQXSHAT-BXUZGUMPSA-N 309.410 3.073 0 40 DGAB CC[C@H]1CN(C(C)=O)CC[C@@H]1NCc1cnc(C(C)(C)C)s1 89949106 ZNZOGGDDTDFERD-ZFWWWQNUSA-N 323.506 3.177 0 40 DGAB COc1nc2ccccc2cc1CN1CCC[C@@H](c2ncc[nH]2)C1 92072056 JJBFGKBEQVZGOM-OAHLLOKOSA-N 322.412 3.346 0 40 DGAB COc1ccc(CNc2cnn(CC(F)(F)F)c2)cc1F 92845391 CSXUYYPLJDBXEW-UHFFFAOYSA-N 303.259 3.205 0 40 DGAB C[C@@H](S[C@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 95406547 ZRUMXKOPOFFAIO-WBMJQRKESA-N 323.433 3.400 0 40 DGAB CCCN(Cc1ccccc1)C(=O)NCc1c(C)noc1C 95955192 REJIUAHFGQDHEA-UHFFFAOYSA-N 301.390 3.413 0 40 DGAB Cc1nc(C)n(Cc2cccc(NC(=O)OC(C)(C)C)c2)n1 95976490 ILISZMPPVGPWAW-UHFFFAOYSA-N 302.378 3.290 0 40 DGAB CC(C)Cc1sc(Cl)nc1C(=O)NCc1ccccn1 96232054 UCKTUJVGYKUTQZ-UHFFFAOYSA-N 309.822 3.320 0 40 DGAB CC(C)(C)NC(=O)c1cnc(-c2noc3ccccc23)s1 96266582 IPNABNOVXGZLKT-UHFFFAOYSA-N 301.371 3.480 0 40 DGAB Cc1csc([C@H](OC(=O)c2cccn2C)C(F)(F)F)n1 96456258 DCUYQODCRADKLC-VIFPVBQESA-N 304.293 3.250 0 40 DGAB CNC(=O)c1cccc(CCN[C@H](C)c2ccc(C)s2)c1 96478155 RSWGQFRZWIVKLI-CYBMUJFWSA-N 302.443 3.309 0 40 DGAB Cc1ccc(CCC(=O)N[C@H](c2ccccc2)[C@@H](C)C(=O)O)o1 96480298 DKQFLUZKJFOGRU-DYVFJYSZSA-N 315.369 3.099 0 40 DGAB OC[C@@H](NCc1ncc(-c2cccc(F)c2)o1)c1ccccc1 97238566 KGRAWNQZDPZUDO-MRXNPFEDSA-N 312.344 3.304 0 40 DGAB CSC(C)(C)COC(=O)c1ccc(-c2nnc(C)o2)cc1 97374860 IIRAKTNKSHKRNH-UHFFFAOYSA-N 306.387 3.343 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)NCc2nccs2)s1 106537450 NZPJPCVGHIMYSX-VIFPVBQESA-N 310.448 3.119 0 40 DGAB O=C(N[C@@H]1C[C@@H]1c1cccc(Cl)c1)N1CC[C@@]2(CCOC2)C1 110678033 DCAPVOQDNHYGCJ-BFYDXBDKSA-N 320.820 3.018 0 40 DGAB S=C(NCCSCc1ccccc1)Nc1cccnc1 138855418 QWFJJPQFRKXDBA-UHFFFAOYSA-N 303.456 3.301 0 40 DGAB Cc1cc(NC(=O)N2CC[C@@H](C)C[C@@H]2c2ccco2)nn1C 195568938 DTSRXMJUKPAEQY-DGCLKSJQSA-N 302.378 3.327 0 40 DGAB COc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1C 223721456 AEWGJXPQPVKUMV-UHFFFAOYSA-N 319.426 3.133 0 40 DGAB Cc1nc(-c2nnsc2C(=O)OCc2ccccc2C)co1 223861406 BWJKOZJYBGZQAF-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB COCc1cc(C(=O)Nc2cc(C)ccc2OC)ccc1OC 224399186 LIXMRCFYGNMYRW-UHFFFAOYSA-N 315.369 3.411 0 40 DGAB CCN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(N)cc1 225313750 MJMFQDQVAHFQTN-UHFFFAOYSA-N 310.806 3.137 0 40 DGAB C[C@@H]1CCCN(CCCNC(=S)Nc2cccc(F)c2)C1 225736358 VQOCULDKMHEYTP-CYBMUJFWSA-N 309.454 3.234 0 40 DGAB COC(=O)c1cccc(NC(=S)NC2(C)CCCCC2)c1 225863111 UITWAMMMLWMMOY-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB c1csc(CN2Cc3ccnn3[C@@H](CCOCC3CC3)C2)c1 247835813 NJEZZIDPDRYRFS-INIZCTEOSA-N 317.458 3.318 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C[C@@H](O)COCC[C@H]1C[C@H]2CC[C@H]1C2 252505292 JQWADFJXACVBHO-CABLIKTCSA-N 309.494 3.453 0 40 DGAB O=C(O)[C@H]1C[C@H]1C(=O)N(Cc1ccsc1)c1ccccc1 262089606 HTWJRDLBWLEFAU-KGLIPLIRSA-N 301.367 3.002 0 40 DGAB CC[C@H](C)NC(=O)c1cc2ccc(N(CC)CC)cc2oc1=O 408809376 LBNIXPWLCLPGIT-LBPRGKRZSA-N 316.401 3.168 0 40 DGAB CCCC[C@H](N[C@H](C)CC[P@@](C)(=O)OCC)C(=O)OC 583651746 RMLJIVIYBKZXCR-UVARLRKDSA-N 307.371 3.031 0 40 DGAB OC[C@@H]1Cc2cccc(F)c2N(Cc2ncc(Cl)s2)C1 585116365 RYNPKGGCZHNDPX-SECBINFHSA-N 312.797 3.107 0 40 DGAB Clc1cnccc1OCC1CCN(C[C@@H]2CCCOC2)CC1 1848574220 GXQFDHXJCRFXAN-HNNXBMFYSA-N 324.852 3.252 0 40 DGAB Cc1cccc2sc(NC(=O)c3cc4c(nn3)CCC4)nc12 1888906576 WJULBYMVSDXNCP-UHFFFAOYSA-N 310.382 3.136 0 40 DGAB COc1ccccc1C(=O)[C@@H](CCCO)[C@@H]1CCOC(C)(C)C1 2116051 RGGBBFDNXPKSLS-CABCVRRESA-N 320.429 3.472 0 40 DGAB biogenic O=C1N[C@@H](c2ccc(OC(F)(F)F)cc2)Oc2ccccc21 2334072 GFTREKDAGOGPTO-CQSZACIVSA-N 309.243 3.406 0 40 DGAB O=C(NC1=NCCS1)NC(c1ccccc1)c1ccccc1 3238735 SFLGEUKHVZFWRA-UHFFFAOYSA-N 311.410 3.178 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cc(F)ccc2C)cc1 3388041 CTBQEKRARQKYDW-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB CCOc1ccc(NC(=O)CNc2ccccc2C(C)=O)cc1 3399597 JGFKSCRLALZJLL-UHFFFAOYSA-N 312.369 3.339 0 40 DGAB COc1ccc(C(=O)OCc2cc3cccc(C)c3[nH]c2=O)cc1 4039119 DLYCJGIWRXDLGT-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB aggregator COc1ccc(C(=O)OCc2cc3cc(C)ccc3[nH]c2=O)cc1 5163985 WUBDZENWKRYCPP-UHFFFAOYSA-N 323.348 3.202 0 40 DGAB CC(=O)Nc1ccc(Oc2nc3ccccc3n3cnnc23)cc1 5450918 RPRCOOALMHLLAM-UHFFFAOYSA-N 319.324 3.028 0 40 DGAB O=C(O[C@@H]1CCCCC1=O)c1c2c(nc3ccccc13)CCC2 5984983 CSRLNDGCPPFAHQ-QGZVFWFLSA-N 309.365 3.392 0 40 DGAB O=C(CSC1=NCCS1)N[C@H]1CCCc2ccccc21 6049408 FPEHYTBPWCRSCE-ZDUSSCGKSA-N 306.456 3.016 0 40 DGAB COc1ccccc1Nc1nc([C@]2(C)CCC(=O)O2)cs1 6417048 YWYWKRUAONUPOT-HNNXBMFYSA-N 304.371 3.448 0 40 DGAB biogenic CN(Cc1cccc(Cl)c1)S(=O)(=O)c1cccs1 7248819 NGCMKNZRSQMDJB-UHFFFAOYSA-N 301.820 3.222 0 40 DGAB CSc1nnc(NC(=O)c2c(F)cccc2Cl)s1 7319472 MOSBVDUDSRYVJR-UHFFFAOYSA-N 303.771 3.305 0 40 DGAB CCOCCCNC(=O)[C@H](C)c1ccc2cc(OC)ccc2c1 8074859 RCJJBXMSMKIDEH-CQSZACIVSA-N 315.413 3.495 0 40 DGAB Cc1c(Cl)cccc1NC(=O)c1ccc(-c2nnn[nH]2)cc1 8704012 GRLQPXVHAJJMRN-UHFFFAOYSA-N 313.748 3.081 0 40 DGAB CCC(=O)N1CCc2ccc(NC(=O)c3cccs3)cc2C1 9035378 KNDWDGFOANCGJK-UHFFFAOYSA-N 314.410 3.295 0 40 DGAB Cc1nc(N2CCN(C)CC2)c2c3c(sc2n1)CCCCC3 9577021 OBOXRMXXTGFXMU-UHFFFAOYSA-N 316.474 3.020 0 40 DGAB COc1ccc(CCc2nnc(NC(=O)C(C)(C)C)s2)cc1 9614697 SXXNNGWECDHVJU-UHFFFAOYSA-N 319.430 3.317 0 40 DGAB CC(=O)N1CCC[C@H](C(=O)Nc2ccc(C(C)(C)C)cc2)C1 10027015 VOXOENXDNXFLSY-AWEZNQCLSA-N 302.418 3.181 0 40 DGAB CCC(=O)O[C@H](C(=O)Nc1ccc(F)cc1)c1ccccc1 10745551 FOGLLJIMRKBQEP-INIZCTEOSA-N 301.317 3.459 0 40 DGAB CCOc1ccc(C(=O)NCCc2ccc(N(C)C)cc2)cc1 11693617 XRCBTRCNLCFFPL-UHFFFAOYSA-N 312.413 3.124 0 40 DGAB CCOC(=O)Cn1c(-c2ccc(OC)cc2)cc2cccnc21 12148095 NOKBVOZSKSRGRN-UHFFFAOYSA-N 310.353 3.275 0 40 DGAB Cn1nccc1C(=O)N[C@H]1[C@H]2CCCC[C@@H]2[C@@H]1c1ccccc1 12162195 CRYPYYFHVZFRLT-LAQRGFTBSA-N 309.413 3.122 0 40 DGAB O=C(Nc1ccccc1O)c1nn(-c2ccccc2)c2c1CCC2 12680230 KNGSHFSWVCYOFB-UHFFFAOYSA-N 319.364 3.319 0 40 DGAB Cc1nc(COc2ccccc2C(=O)N(C)c2ccccc2)no1 12816795 RUKPPABFDRLWER-UHFFFAOYSA-N 323.352 3.234 0 40 DGAB CCONC(=O)Cn1c(-c2ccc(C)cc2)csc1=S 12923389 LKOOIMVYLHCAGY-UHFFFAOYSA-N 308.428 3.322 0 40 DGAB O=C(O)C1CCN(C(=O)c2ccccc2-c2ccccc2)CC1 13167227 BLZUYPAKGJDSHF-UHFFFAOYSA-N 309.365 3.290 0 40 DGAB CC(C)=C1[C@H]2CC[C@@H]1[C@H]1C(=O)N(c3ccc(Cl)cn3)C(=O)[C@H]21 13320843 CRCGYUABBKCVDK-BAESOJJISA-N 316.788 3.217 0 40 DGAB CCn1nnc2c(SCc3c(F)cccc3Cl)ncnc21 13532298 LQORWQCMDMBKQG-UHFFFAOYSA-N 323.784 3.326 0 40 DGAB CC1(C)C[C@@H]2C[C@@](C)(CN2c2nc(Cl)nc3[nH]cnc23)C1 13548618 HIOBQTUVKFDNTH-RFAUZJTJSA-N 305.813 3.411 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCCN1CCCCCC1 13673047 YSMVHCHSCOIPNW-VAWYXSNFSA-N 316.445 3.091 0 40 DGAB O=C(NCc1ccccc1Cl)c1cc(Br)c[nH]1 14166183 QIXKZLYROOHGIA-UHFFFAOYSA-N 313.582 3.361 0 40 DGAB O=C1CN(C(=O)/C=C/c2ccc(Cl)s2)c2ccccc2N1 14202419 JOBMRVSXDRTNBL-SOFGYWHQSA-N 318.785 3.400 0 40 DGAB NC(=O)c1ccc(COC(=O)c2csc3c2CCCC3)cc1 16114352 PRGTWEHFQXKHIP-UHFFFAOYSA-N 315.394 3.083 0 40 DGAB Cc1ccc(NC(=S)N(CCO)Cc2ccccc2)cc1 16217620 MSRNQWBIWSCLIQ-UHFFFAOYSA-N 300.427 3.186 0 40 DGAB O=C1c2ccccc2C(=O)N1c1c(F)c(F)c(F)c(F)c1F 16524376 AXQQMQSRMPOWDO-UHFFFAOYSA-N 313.181 3.183 0 40 DGAB CC[C@@H](NC(=O)[C@H](C)n1cc(Cl)cn1)c1ccc(OC)cc1 19500457 IMQGXVFOGKUMAE-XHDPSFHLSA-N 321.808 3.374 0 40 DGAB CC(C)(C)OC(=O)Nc1ncccc1I 21985294 UZACQBWMOYQGSV-UHFFFAOYSA-N 320.130 3.033 0 40 DGAB COC(=O)c1sccc1NC(=O)[C@@]1(C)CC1(Cl)Cl 22191831 AOIMADIGESQUKZ-SNVBAGLBSA-N 308.186 3.057 0 40 DGAB COc1cccc(CC(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)c1 24864684 KKJBNIQWNRJJGW-OLZOCXBDSA-N 315.335 3.475 0 40 DGAB COCc1cccc(NC(=O)CCc2ccc3c(c2)OCO3)c1 25335574 NCWDOLVOMIOHNN-UHFFFAOYSA-N 313.353 3.133 0 40 DGAB COc1cc(CNc2nc3ccccc3o2)cc(OC)c1OC 26082355 UOWPQABPWZNWDR-UHFFFAOYSA-N 314.341 3.466 0 40 DGAB CNc1nc(-c2ccc(F)cc2)c(C(=O)OC)c(C(C)C)n1 26892505 ZMUMVOISTUCVJK-UHFFFAOYSA-N 303.337 3.234 0 40 DGAB in-vitro CCCCNC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1 26937887 QCRKOHAEXNPEFR-GOSISDBHSA-N 324.424 3.464 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CCC(=O)Nc1ccon1 27979352 QBVDTFKHEBQPCZ-UHFFFAOYSA-N 310.357 3.048 0 40 DGAB Cc1nc(CCNC(=O)[C@@H](C)Oc2ccccc2Cl)cs1 28293790 SWBHJQHCPATDER-SNVBAGLBSA-N 324.833 3.231 0 40 DGAB Cc1ccc([C@@H](NC(=O)c2cccc(NC(N)=O)c2)C2CC2)cc1 32865754 IKZRAGCJZLWLBP-QGZVFWFLSA-N 323.396 3.367 0 40 DGAB O=C(Nc1ccc(F)c(F)c1F)[C@H]1CC(c2ccccc2)=NO1 33147230 ZUCSMISRDSKSOC-CYBMUJFWSA-N 320.270 3.236 0 40 DGAB O=C(COCC1CC1)Nc1nc(-c2cccc(F)c2)cs1 40108660 FQBYWSLFWWNYIH-UHFFFAOYSA-N 306.362 3.314 0 40 DGAB Cn1cc(C(=O)Nc2ccc(Cl)cc2)c(=O)c2ccccc21 41056995 UXVUEXOLTNZSLZ-UHFFFAOYSA-N 312.756 3.444 0 40 DGAB CC[C@H](C)NC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184773 PEHLUBXZHQQBAA-JTQLQIEISA-N 307.781 3.237 0 40 DGAB Cc1noc(C(C)C)c1C(=O)NCc1ccc(OC(C)C)nc1 44953814 VLQRBTJGUXKCRD-UHFFFAOYSA-N 317.389 3.219 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@H](C)N1CCCC[C@@H]1C 45959923 JXDFYUGHXZFLOQ-GJZGRUSLSA-N 319.449 3.470 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1cccc(OC(F)F)c1 50247659 YLQFQATYZRGUBS-UHFFFAOYSA-N 320.270 3.185 0 40 DGAB COc1ccc(-c2cc(C(=O)Nc3cccc(OC)c3)n[nH]2)cc1 51315560 YBKTWEKSIOAWDC-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)C[C@@H]1CCCO1)c1nc2ccccc2[nH]1 55441905 AXIIEZGKIIQUBD-GDZNZVCISA-N 315.417 3.335 0 40 DGAB CCc1noc(C)c1C(=O)NCC(C)(C)c1ccccc1OC 58296887 SCAFCYYJDBAEBQ-UHFFFAOYSA-N 316.401 3.262 0 40 DGAB CN(C[C@@H](O)c1ccc(F)cc1)c1ncnc2ccsc12 69600649 QFDWPBHONDJSOF-CYBMUJFWSA-N 303.362 3.000 0 40 DGAB CC(C)(C)c1ncc(C(=O)N2CCO[C@@H]3CCCC[C@H]32)s1 71825495 RJXMMZCQONYCIZ-VXGBXAGGSA-N 308.447 3.224 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@H]3c3cnn(C)c3)c[nH]c12 71856839 XHQQBFHDKQTRLB-KRWDZBQOSA-N 322.412 3.441 0 40 DGAB CN(CCc1ccncc1)C(=O)C[C@H]1CCOc2ccccc21 71910537 NJRPZENUUBGFBS-MRXNPFEDSA-N 310.397 3.039 0 40 DGAB c1ccc(NCCCNCc2cccc3c2OCCCO3)cc1 72289946 JDIOTYNQQOFQSY-UHFFFAOYSA-N 312.413 3.440 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N[C@H](CC)c1c(C)nn(C)c1C 72527497 AGXFGRHALRHUQB-HZPDHXFCSA-N 321.465 3.342 0 40 DGAB CN(C(=O)Nc1ccccn1)[C@@H]1CCCN(Cc2ccccc2)C1 72733304 LOCZWLRUQDLYPA-QGZVFWFLSA-N 324.428 3.210 0 40 DGAB C[C@H](NC(=O)Nc1cccnc1)c1cccc(-n2cccn2)c1 72930734 WMFRJMOBHRWNHR-ZDUSSCGKSA-N 307.357 3.150 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2cnc3ccccc3n2)C1 78987442 MHPSIGGVYVFVAD-ZDUSSCGKSA-N 315.442 3.378 0 40 DGAB CCc1ncc(CN(C)c2nccc3c2C(=O)OC3(C)C)s1 79002609 JVAXKPYUWKAATJ-UHFFFAOYSA-N 317.414 3.142 0 40 DGAB C[C@@H](O)C1CCN(C(=O)c2cccc(C(F)(F)F)c2F)CC1 79025608 PLQJXBBTMYOKNE-SECBINFHSA-N 319.298 3.078 0 40 DGAB Cc1cc(OC(F)F)c(C(=O)N2CCCSCC2)s1 79310099 YUKDDVRAIZBYSL-UHFFFAOYSA-N 307.387 3.237 0 40 DGAB CC(C)(C)OC(=O)N1CC(=O)c2ccc(Br)cc21 80443783 FDIAJSNCFFXYOX-UHFFFAOYSA-N 312.163 3.387 0 40 DGAB C[C@H](O)C1CCN(C(=O)c2ccc3ccc(Cl)cc3n2)CC1 84300174 IXCYSQYXHSGJLJ-NSHDSACASA-N 318.804 3.121 0 40 DGAB COC(=O)[C@](C)(Br)c1ccc(Br)cc1 85393448 DIOWLHGFZXRYKC-SNVBAGLBSA-N 321.996 3.232 0 40 DGAB CC1(C)CCCN(C(=O)C[C@@H]2COC(=O)C2)c2ccccc21 89849487 DCVNVIXKKXPTIJ-ZDUSSCGKSA-N 301.386 3.044 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2cccc3[nH]ccc23)[C@@H](CC)C1 89949064 HACAQIDAPGULLZ-WMLDXEAASA-N 313.445 3.295 0 40 DGAB COc1ccccc1[C@H](N[C@H](C)c1cccnc1)c1nccn1C 92738117 FBOYDILGFIXYQW-KDOFPFPSSA-N 322.412 3.264 0 40 DGAB Cc1cn2c(CN3CCO[C@@H](c4ccco4)C3)c(C)nc2s1 93841735 BXDHSWZACOMCLB-OAHLLOKOSA-N 317.414 3.179 0 40 DGAB COc1ccccc1NC(=O)c1ccc(Br)cc1N 94026198 XFFPYNYDLVPPHL-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB C[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCn3cncc3C2)c2ccccc21 95434793 VHNIDGAKDHPMLX-HBUWYVDXSA-N 309.413 3.200 0 40 DGAB OC[C@H](NCc1ccc(F)c(C(F)(F)F)c1)c1ccco1 95440126 HCIKZJNXVJGWNK-LBPRGKRZSA-N 303.255 3.261 0 40 DGAB Cc1cc(C)cc(OC[C@H](O)Cn2nccc2-c2ccncc2)c1 95974770 BYAJAFDATXDFET-QGZVFWFLSA-N 323.396 3.002 0 40 DGAB Cc1nc(N(C)C)nc(C)c1NC(=O)c1cccc(Cl)c1 96098516 LYMRACVPVOWEQB-UHFFFAOYSA-N 304.781 3.065 0 40 DGAB O=C1N(CC2CC2)c2ccccc2[C@]12CCN(Cc1ccoc1)C2 96100319 JRQPZYCEMMICLQ-HXUWFJFHSA-N 322.408 3.180 0 40 DGAB CC(C)(C)n1cc(NC(=O)C[C@H]2OCCc3ccccc32)cn1 96406289 AFKDWXZRMYGMTM-MRXNPFEDSA-N 313.401 3.281 0 40 DGAB O=C(Nc1ccc(CN2CCOCC2)c(Cl)c1)C1CC=CC1 97086320 WSZLDIJDUDQIHI-UHFFFAOYSA-N 320.820 3.077 0 40 DGAB COCCOc1ccccc1C(=O)OCc1csc(-c2ccccc2Cl)n1 97374569 CDAOOHVGVVTHEX-GFCCVEGCSA-N 403.887 4.846 0 40 DGAB CN1Cc2cnn(CC3CCCC3)c2[C@@H](COCC2CC2)C1 105134929 RQPYPJAUMAPCDD-QGZVFWFLSA-N 303.450 3.029 0 40 DGAB Cc1ccc(CNC[C@H]2CCN(CC(F)(F)F)C2)cc1F 106410129 LCJYLOSMGRERNY-CYBMUJFWSA-N 304.331 3.108 0 40 DGAB CC(C)=C[C@@H]1[C@H](C(=O)N[C@H](C)c2c(C)nn(C)c2C)C1(C)C 106530392 CCVOLWJZEYVQMQ-DJSGYFEHSA-N 303.450 3.453 0 40 DGAB O=C(Nc1ccc(N2CCC(O)CC2)cc1)[C@@H]1C[C@H]2CC[C@H]1C2 108061871 JCWWJJSIDLDMTK-SUNYJGFJSA-N 314.429 3.022 0 40 DGAB O=C1CCN(C(=O)CCCc2ccccc2)c2ccccc2N1 118618518 MOGPQWYBRVUEJJ-UHFFFAOYSA-N 308.381 3.385 0 40 DGAB CCc1nnc(CN[C@@H]2CCCC[C@@H]2Oc2ccccc2C)o1 195570291 XQRCHZITFCECNO-ZBFHGGJFSA-N 315.417 3.420 0 40 DGAB Cc1cccc(CCCNC(=O)COc2ccc(F)cc2)c1 222782716 FXKNONGLNXZRFM-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB CC(C)CN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccco1 222902999 QAWMTRGGIIGDAI-GJZGRUSLSA-N 301.415 3.303 0 40 DGAB Cc1ccc(NC(=O)c2cn3c4c(cccc4c2=O)CC3)cc1C 223092041 LTDKNBXQPWZSRF-UHFFFAOYSA-N 318.376 3.427 0 40 DGAB CCc1ccc(OCCNC(=O)c2ccc(OC)c(C)c2)cc1 225164118 QOJZEGLGGLNFMI-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB CC(C)(C)c1csc([C@@H]2CN(C(=O)c3ccoc3)CCO2)n1 225765837 NHBHZKZHBHQQMZ-LBPRGKRZSA-N 320.414 3.247 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@@H](Cc2ccc(F)cc2)C1 228915680 TXKLNOMSDYWTDW-ZDUSSCGKSA-N 307.365 3.194 0 40 DGAB CCN(CC)CN1C(=O)S/C(=C/c2ccc(F)cc2)C1=O 408718000 AJDIDBMTRZOXNR-UKTHLTGXSA-N 308.378 3.161 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3cccc(F)c3)C2=O)c1 409226434 NVDJKLLWTZHQOH-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB CCOc1cccc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)c1 409330852 MGRBXEQRJRNEEK-ATVHPVEESA-N 322.364 3.178 0 40 DGAB Cc1cc(NC(=O)N2CCC(C(=O)O)CC2)ccc1C1CC1 561181377 JSCZCFQZMVNUAG-UHFFFAOYSA-N 302.374 3.201 0 40 DGAB CC[C@@H]1OCCC[C@@H]1C(=O)Nc1c(-c2ccccc2)ncn1C 575603101 QUOFYZCSJIGJJH-GJZGRUSLSA-N 313.401 3.231 0 40 DGAB O=C(Nc1nc(C2CCNCC2)cs1)c1cc(F)ccc1F 582480831 HOOQIIFQPJBNKT-UHFFFAOYSA-N 323.368 3.141 0 40 DGAB CC(C)(C)[C@@H]1NC(=O)CC[C@H]1NC(=O)c1sccc1C1CC1 585084072 UGIZPKBBHDHDFP-IUODEOHRSA-N 320.458 3.049 0 40 DGAB Cc1ccccc1CN1C(=O)C[C@H]2[C@@H]1CCN2CCC(C)C 585109016 NZPPPMGKPCRSTD-ROUUACIJSA-N 300.446 3.216 0 40 DGAB c1cc(C[C@H]2CCCNCC2)nc(-c2cnc3ccccn23)c1 585262830 AAXUMWNQVGTQBN-HNNXBMFYSA-N 306.413 3.329 0 40 DGAB Cc1ccc(CN2CCC(c3cc(C(=O)O)on3)CC2)s1 1600412341 FVDSTDIQXJWURD-UHFFFAOYSA-N 306.387 3.122 0 40 DGAB c1cc2cc(C[C@H]3CCCN(C4CCOCC4)CC3)cnc2[nH]1 2037838540 NADNVKXVHLWDFW-HNNXBMFYSA-N 313.445 3.387 0 40 DGAB Cn1c(SCc2nc3ccccc3[nH]2)nc(=O)c2ccccc21 243507 ANYQQFJZYGIMDW-UHFFFAOYSA-N 322.393 3.102 0 40 DGAB COc1cccc2cc(-c3cn4ccc(C)cc4n3)c(=O)oc12 244951 NYAOAZSYFFXXSZ-UHFFFAOYSA-N 306.321 3.425 0 40 DGAB CCOC(=O)/C(=C(/F)S[C@@H]1CCCC1=O)C(F)(F)F 2246374 VTCSSXLORZNDOO-BDGYDECCSA-N 300.273 3.148 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](C/C=C/c1ccccc1)CC(=O)O 2385925 ZEIROKVMYFFJKQ-RNVIBTMRSA-N 305.374 3.458 0 40 DGAB Cc1ccc2c(CC(=O)Nc3sccc3C(N)=O)coc2c1 2652566 HEDGMIFPYLNAQJ-UHFFFAOYSA-N 314.366 3.083 0 40 DGAB aggregator CCCC(=O)N1c2ccc(-c3csc(N)n3)cc2C[C@H]1C 4929773 AEDOIDKXRHGTQB-SNVBAGLBSA-N 301.415 3.470 0 40 DGAB CCOC(=O)[C@H]1C(C)=NC(S)=N[C@@H]1/C=C/c1ccccc1 5717385 JDFVTFTWJCZLDH-HOQBHHMFSA-N 302.399 3.008 0 40 DGAB O=c1oc2ccccc2cc1C1=NO[C@H](c2cccc(O)c2)C1 6237797 XXIBTVCRRAZJAU-KRWDZBQOSA-N 307.305 3.364 0 40 DGAB CCOc1ccccc1NS(=O)(=O)c1cccc(C(C)=O)c1 7057426 MTGIXJRPKUBIOW-UHFFFAOYSA-N 319.382 3.089 0 40 DGAB Cc1cccc(NC(=O)CN(C)C(=O)C2CCCCC2)c1C 7408116 LUJYOCUUVQVNOV-UHFFFAOYSA-N 302.418 3.281 0 40 DGAB COc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1 7830931 ROUNVCRQBNGIDA-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB Cc1cnc(C(=O)Nc2cc(C(F)(F)F)ccc2N(C)C)cn1 8707966 AGAALQKWMMFRMP-UHFFFAOYSA-N 324.306 3.122 0 40 DGAB COc1ccc(Cl)cc1-c1n[nH]c(SCc2ccno2)n1 8744625 MQZQUKWZMUDQBN-UHFFFAOYSA-N 322.777 3.414 0 40 DGAB O=C(Nc1ccccc1F)N[C@@H]1CCN(Cc2ccccc2)C1 8755956 OSFOQGZVJBXGMN-OAHLLOKOSA-N 313.376 3.222 0 40 DGAB Cc1ccsc1C(=O)Nc1cccc(C(=O)NC2CC2)c1 9113200 NAYOYTJDGVITRO-UHFFFAOYSA-N 300.383 3.201 0 40 DGAB Cc1ccc(C(=O)CCC(=O)NCc2ccc(F)cc2)s1 9908827 TYTFLFZMRRFMON-UHFFFAOYSA-N 305.374 3.475 0 40 DGAB O=C(NCCCOC1CCCCC1)NCc1ccc(F)cc1 10083713 FZZZXUVHOBKHEC-UHFFFAOYSA-N 308.397 3.364 0 40 DGAB O=C1NCCCC[C@@H]1Sc1nnc(-c2cccc(Cl)c2)o1 10319263 AEPLBNGADDNNGL-NSHDSACASA-N 323.805 3.151 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)C(=O)NC1CCCC1 10325557 PGNONVIZXKQQRK-UHFFFAOYSA-N 324.380 3.476 0 40 DGAB C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCc1ccccn1 13708352 WWTMMAKRPHWINR-CQSZACIVSA-N 306.365 3.319 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc(F)cc2F)c2ccc(F)cc2N1 14260652 AZFWGRYCANMTHQ-LLVKDONJSA-N 320.270 3.168 0 40 DGAB CCC(=O)N1[C@H](Cc2ccccc2)C[C@@H]2NCCCCC[C@H]21 19712870 ITOGVXXMFWOZIE-FGTMMUONSA-N 300.446 3.141 0 40 DGAB O=C1C[C@H]2Sc3ccccc3N=C2N(Cc2ccccc2)N1 20030952 PGKYXBKWJSCSDF-OAHLLOKOSA-N 309.394 3.128 0 40 DGAB Cc1ccc(C)c(CC(=O)NCCCN2CCC(C)CC2)c1 20457648 MFFOIILKLWAHTN-UHFFFAOYSA-N 302.462 3.084 0 40 DGAB CC(C)n1nccc1NC(=O)[C@H](C)N1CCCc2ccccc21 23991011 YBTOMQBZHHURMW-AWEZNQCLSA-N 312.417 3.244 0 40 DGAB O=S(=O)(NC(C1CC1)C1CC1)c1cc(Cl)ccc1Cl 24474837 HTBUJIFFYPCCIP-UHFFFAOYSA-N 320.241 3.460 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1Cc1ccccc1 30764294 OFZJNZAUUSQKBG-HNNXBMFYSA-N 305.381 3.410 0 40 DGAB CC1CCC2(CC1)CC(=O)c1ccc(OCC(=O)O)cc1O2 30819580 SEMZCXYHIDQALP-UHFFFAOYSA-N 304.342 3.064 0 40 DGAB Cc1cc(C(=O)NC(C)(C)c2ccc(Br)cc2)on1 32399029 BWTYOPQUISEUSA-UHFFFAOYSA-N 323.190 3.411 0 40 DGAB O=S(=O)(c1cccc(F)c1)N(Cc1cccs1)C1CC1 32778061 ODVIJLHKIWJTMV-UHFFFAOYSA-N 311.403 3.241 0 40 DGAB Cc1ccsc1/C=C1/C(=O)N(Cc2ccco2)C(=O)N=C1O 33711269 GZXATGFMQGGHOO-YRNVUSSQSA-N 316.338 3.152 0 40 DGAB Brc1cc(Cc2ccccc2)ccc1OC1CNC1 42769536 XGKNGYYCXCTARZ-UHFFFAOYSA-N 318.214 3.391 0 40 DGAB CCOc1ccc(-c2noc(CN(C)Cc3ccco3)n2)cc1 44871332 QBZTZLYSGIRXLI-UHFFFAOYSA-N 313.357 3.360 0 40 DGAB Cc1cc(F)ccc1NC(=O)[C@@H]1CC(=O)N(c2ccccc2)C1 45715952 AQLMFIVJLHPWLZ-CYBMUJFWSA-N 312.344 3.126 0 40 DGAB C[C@H](NC(=O)c1ccc(Cl)cc1)c1ccc(NC(N)=O)cc1 45782910 KHDTUEKVOQLYFU-JTQLQIEISA-N 317.776 3.322 0 40 DGAB Cc1cc(N2CCOCC2)ccc1NC(=O)c1cc(Cl)c[nH]1 46388465 MKIWWRJABSZMSI-UHFFFAOYSA-N 319.792 3.065 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)CCCc2nc(C(C)C)no2)o1 46744180 DGWSRCYIHYCOQX-GFCCVEGCSA-N 305.378 3.295 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1ccc(-n2cccc2)cc1 52962670 RRRKUBVOIBRIOQ-UHFFFAOYSA-N 306.365 3.455 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1ccnc(-n2ccnc2)c1 58049736 KAVWVFVBUFIRLK-LBPRGKRZSA-N 324.409 3.088 0 40 DGAB CCCN(CC1CC1)S(=O)(=O)c1cccc2cc(C)cnc12 58602419 CECHSTHHFHHQPJ-UHFFFAOYSA-N 318.442 3.354 0 40 DGAB O=C(N[C@@H]1C[C@H]1c1ccccc1)N1CCc2ccc(O)cc2C1 67617553 JFPNXFBRQCAICQ-ZWKOTPCHSA-N 308.381 3.016 0 40 DGAB c1ccc(Cn2ccc(Nc3ncnc4ccsc34)n2)nc1 68904869 ZCYSLUSHLPOULT-UHFFFAOYSA-N 308.370 3.075 0 40 DGAB COc1ccccc1[C@@H]1CCCN1Cc1cccc(C(N)=O)c1 69085126 AICNCWQOUYCEQQ-KRWDZBQOSA-N 310.397 3.131 0 40 DGAB O=C(Nc1ccc(Cl)cc1)N1CCCC[C@@H]1C1OCCO1 69198885 KPLYWXZHSGWGER-CYBMUJFWSA-N 310.781 3.099 0 40 DGAB C[C@H](N)[C@@H]1CCCN(C(=O)c2cc(Cl)ccc2Cl)C1 70172779 PATYZPHLABXJRK-VHSXEESVSA-N 301.217 3.193 0 40 DGAB CCc1csc(NC(=O)c2cnc(-c3ccccc3)nc2)n1 71185537 BNUUGSYPTNTNMR-UHFFFAOYSA-N 310.382 3.415 0 40 DGAB CCc1cc(CNC(=O)Nc2cccc(OC(F)F)c2C)[nH]n1 72281296 WBQDQYRSKNAGAE-UHFFFAOYSA-N 324.331 3.204 0 40 DGAB C[C@H]1CCN(Cc2cc(=O)n3ccccc3n2)[C@H](c2ccco2)C1 72905410 GAPCGJSCALIEHM-HOCLYGCPSA-N 323.396 3.261 0 40 DGAB COC(=O)CSc1cc(C)nc(-c2ccc(Cl)cc2)n1 73690122 PQCTWMQUVIIMOZ-UHFFFAOYSA-N 308.790 3.371 0 40 DGAB CCc1oc2ccccc2c1CN(C)C(=O)c1ccc(C)[nH]c1=O 75118973 ZKNIFZNYUZDYGW-UHFFFAOYSA-N 324.380 3.264 0 40 DGAB C[C@H]1CC[C@@H](CCC(=O)NC2(c3nccs3)CCCC2)O1 75200686 HNVHGPHFCJYLQF-STQMWFEESA-N 308.447 3.376 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)C[C@@H]1C=CCC1 75602210 MJIBLPVMLMSKKJ-CHWSQXEVSA-N 307.825 3.402 0 40 DGAB CSc1ccc(O[C@H](C)C(=O)N[C@H](C)c2ccccn2)cc1 76940758 NNVYPWSXCDQRRP-CHWSQXEVSA-N 316.426 3.448 0 40 DGAB Clc1ncccc1OCc1nnc(Cc2ccccc2)o1 77494555 QEASNBPANUIZEH-UHFFFAOYSA-N 301.733 3.288 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccn2)Cc2ccccc2C)[nH]n1 79000957 COYKBSAXCVAJPT-UHFFFAOYSA-N 320.396 3.264 0 40 DGAB CCCCC(=O)NCC1(N[C@@H](C)c2ccccc2)CCOCC1 79096399 OFHQRKBMFQBBLV-INIZCTEOSA-N 318.461 3.193 0 40 DGAB Cc1cc(C)n(CCSc2nnc(-c3ccccc3)n2C)n1 84104773 QMGZLNJWTYNBOS-UHFFFAOYSA-N 313.430 3.088 0 40 DGAB CCc1ccc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)o1 87390937 GHCFEBGGAILUFF-JTQLQIEISA-N 305.296 3.026 0 40 DGAB CCc1nc2c(s1)[C@H](N(C)Cc1nc(C3CC3)no1)CCC2 89295777 SRRUWRRMDZWCLV-GFCCVEGCSA-N 318.446 3.475 0 40 DGAB CN1CCN(Cc2noc(Cc3ccccc3)n2)c2ccccc21 89382876 DPAGQSYJBXSMIT-UHFFFAOYSA-N 320.396 3.117 0 40 DGAB Cc1cc(C(=O)N(Cc2ccccc2F)C2CCC2)n(C)n1 89591690 CSFIWCLEJWCDKJ-UHFFFAOYSA-N 301.365 3.063 0 40 DGAB CC(C)Cc1noc(CN2C[C@H](C)O[C@@H](c3ccsc3)C2)n1 89937037 LLWGAXSPMRYQIV-GXTWGEPZSA-N 321.446 3.292 0 40 DGAB C[C@@H]1CN(Cc2ncc(C(C)(C)C)o2)CCN1c1nccs1 95351843 ZBZQQGOEOWIGFN-GFCCVEGCSA-N 320.462 3.139 0 40 DGAB CCOC(=O)c1cc2cc(NCc3nccn3C)ccc2s1 95411954 KYGDYRQMYPWZIY-UHFFFAOYSA-N 315.398 3.424 0 40 DGAB CC(=O)c1c(F)cccc1N1CCC[C@@H](Cc2noc(C)n2)C1 95994737 LMWGHAJFIJLIDP-ZDUSSCGKSA-N 317.364 3.179 0 40 DGAB Cc1cccc(NC(=O)NCc2ccccc2OC(F)F)n1 96013075 CVLUJMQLRCCUAW-UHFFFAOYSA-N 307.300 3.313 0 40 DGAB COC[C@H]1CN(Cc2cccs2)Cc2c1cnn2CC1CC1 96197912 SFVOESRSHHFUNA-CQSZACIVSA-N 317.458 3.100 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC[C@H]1CNc2ccnn2C1 96316226 LKNJSUGIGLMUTH-DZGCQCFKSA-N 314.433 3.130 0 40 DGAB O=C(Nc1ccc(COC2CCCC2)cc1)N1CCC[C@H]1CO 96418123 SPPXJINNAAKKCK-INIZCTEOSA-N 318.417 3.134 0 40 DGAB Cc1cnn(CCC(=O)N2CC[C@H](C)C[C@H]2c2ccc(C)o2)c1 96433162 URUMDCGACJNZQV-BBRMVZONSA-N 315.417 3.483 0 40 DGAB Cc1csc(COC(=O)c2cccc(NC(=O)C3CC3)c2)n1 96442941 OEAZXXLYOSFFET-UHFFFAOYSA-N 316.382 3.157 0 40 DGAB Cc1cc(Br)ccc1CC(=O)N(C)CC(F)F 96497013 GLAHMTVPKYQHDP-UHFFFAOYSA-N 306.150 3.024 0 40 DGAB O=C(Cn1ccnc1-c1cccs1)N1CCc2ccccc2C1 97037386 VDJZGBCYRXQANC-UHFFFAOYSA-N 323.421 3.197 0 40 DGAB c1ncc(CNc2nc3cc4c(cc3s2)OCCO4)s1 97045320 FDPLISQQPUHMKL-UHFFFAOYSA-N 305.384 3.136 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)Nc2cnc(C3CC3)nc2)n1 97113236 GSDFKNGTOMEUAM-VIFPVBQESA-N 317.418 3.044 0 40 DGAB C1=C[C@H]2C[C@H]1C[C@H]2CNC[C@@H]1CCCN(Cc2cccnc2)C1 101543241 BYNXRBRRNOAAEN-LEAZDLGRSA-N 311.473 3.095 0 40 DGAB C[C@H](NC(=O)C[C@@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 108070907 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Nc1cc(Cl)c(Cl)cc1NS(=O)(=O)c1ccccc1 1717313 QZGWUNGYEZEWPK-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB CC(C)(C)C(=O)N[C@@H]1CCCN(Cc2cccc(Cl)c2)C1 108150818 XPHMOBFXNKIPMN-OAHLLOKOSA-N 308.853 3.467 0 40 DGAB CCCCCNC(=O)N(C)C[C@@H]1CN(CC)c2ccccc2O1 40051413 VJXRYPGTEQSVIC-OAHLLOKOSA-N 319.449 3.106 0 40 DGAB CCCCOC(=O)[C@@H]1[C@H]2CC[C@@H](C2)N1C(=O)NC1CCCCC1 100752550 WBCQHNBLFFDKMX-BPUTZDHNSA-N 322.449 3.225 0 40 DGAB CCCCSc1nnc(C)n1-c1cccc(NC(C)=O)c1 32778980 HSZDFAGHJRKVJU-UHFFFAOYSA-N 304.419 3.426 0 40 DGAB CCOc1ccc(CN(C)Cc2csc(NC(C)=O)n2)cc1 23706004 IPDFCITXYRZKLU-UHFFFAOYSA-N 319.430 3.132 0 40 DGAB Cc1cccc([C@H](CC(=O)N[C@H](C)CCC(C)C)NC(N)=O)c1 24463474 IAMQPSBUHFLLIP-ZBFHGGJFSA-N 319.449 3.035 0 40 DGAB C[C@]12CC[C@@H]3[C@@H](CC(=O)[C@H]4CC(=O)CC[C@@]43C)[C@H]1CCC2=O 4104637 MGUDNDBPVZPSQA-SBNFWVCTSA-N 302.414 3.346 0 40 DGAB biogenic,in-vitro COc1cccc2cc(C(=O)Nc3ccc(C)cc3)c(=N)oc12 4637253 NTBMYUJIXGNXPC-UHFFFAOYSA-N 308.337 3.482 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)C[C@@H]1C[C@H]3CC[C@H]1C3)OCO2 107079325 YECQCGZUSPSRIP-AVGNSLFASA-N 315.369 3.383 0 40 DGAB Cc1noc(C)c1S(=O)(=O)Nc1cccc2ccccc12 7053596 DYWBTCXSJHGDDJ-UHFFFAOYSA-N 302.355 3.245 0 40 DGAB C[C@H](NCCOc1ccc2c(c1)CCC(=O)N2)c1ccsc1 95420942 ZKRDLZHWVHQSNO-LBPRGKRZSA-N 316.426 3.362 0 40 DGAB CCc1cc(=O)oc2c3c(c(Cl)cc12)OCN(C1CC1)C3 57135086 XYBUKUOIODXPLW-UHFFFAOYSA-N 305.761 3.323 0 40 DGAB O=C(/C=C/c1ccccc1)OCC(=O)N1CCCc2ccccc21 3241189 UGOCJMLHAFBGEH-OUKQBFOZSA-N 321.376 3.222 0 40 DGAB C[C@@H](N[C@H](C)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 57383655 OWAFKTDKZALUID-ZIAGYGMSSA-N 312.388 3.454 0 40 DGAB COc1ccc(C(=O)NC[C@@H]2CCN(C3CC3)C2)c2ccccc12 108784389 HZBCMTUHPURXLT-AWEZNQCLSA-N 324.424 3.063 0 40 DGAB c1cnc(NCc2ccc(Cn3cnc4ccccc43)cc2)nc1 57830547 APTOBLBEOWNCDK-UHFFFAOYSA-N 315.380 3.487 0 40 DGAB O=[S@](Cc1cccc(OC(F)F)c1)C[C@H]1CCCCO1 95407412 WTHJBCXEJUNQIX-XCLFUZPHSA-N 304.358 3.106 0 40 DGAB O=C(CN1CCc2sccc2C1)Nc1cc(F)cc(F)c1 10092847 ZQKZXLYWDDPBLM-UHFFFAOYSA-N 308.353 3.023 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)N[C@H]1CCN(C2CC2)C1 58203327 OMSGXFAXDSMBIV-JTQLQIEISA-N 313.323 3.064 0 40 DGAB COc1c(CN[C@@H](c2ccccc2)c2ccccn2)c(C)nn1C 58331250 VVBHJTQBIVEDDD-SFHVURJKSA-N 322.412 3.011 0 40 DGAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1 10677198 HNYDAGUDRJGEQT-INIZCTEOSA-N 305.374 3.255 0 40 DGAB Cc1nc(-c2ccsc2)sc1C(=O)N1C[C@H](C)OC[C@H]1C 45448609 NDRLRFSVHOZZJP-ZJUUUORDSA-N 322.455 3.429 0 40 DGAB CC(=O)c1ccc(OCC(=O)N2CCC[C@@H](C)C2)c(Cl)c1 119485238 KGOJDLFMEGIGQC-LLVKDONJSA-N 309.793 3.180 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)[C@H]2C[C@@H]3CC[C@@H]2C3)cc1OC 102194357 ZMJGCXJSQJOYOS-RRCSTGOVSA-N 317.429 3.187 0 40 DGAB CC[C@@H](C)c1cc(C(=O)N[C@H](Cn2ccnc2)C(C)(C)C)on1 95401289 AWODHISTUSTYMZ-IUODEOHRSA-N 318.421 3.229 0 40 DGAB O=C(c1cscn1)N1CCCCC[C@@H]1C[C@@H](O)c1ccco1 95418208 FWXLOIZBFIRVIF-TZMCWYRMSA-N 320.414 3.245 0 40 DGAB C[C@@H]1CCCN(CCCNC(=O)c2cc3ccccc3o2)C1 46959556 AGEGWXXFAIZFOW-CQSZACIVSA-N 300.402 3.285 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 22344855 SIUJNOCWFPLAOQ-QYPACOJMSA-N 323.396 3.191 0 40 DGAB CC(=O)c1ccc(N[C@H](C)C(=O)N2CCc3ccccc32)cc1 12739554 VSJCVWFDZGCBLJ-CYBMUJFWSA-N 308.381 3.279 0 40 DGAB Cc1cc(C(=O)N(C)Cc2ccc(Br)cc2)no1 3376693 SRLIRILIMNEBPR-UHFFFAOYSA-N 309.163 3.018 0 40 DGAB O=c1oc2ccccc2n1CCN1CCC[C@@H]1c1ccsc1 48364692 KSCHEYXUUXZVAJ-CQSZACIVSA-N 314.410 3.493 0 40 DGAB COc1ccc(C)cc1NS(=O)(=O)c1cc(C)sc1C 24070236 PNRZMNIXHBYXIC-UHFFFAOYSA-N 311.428 3.483 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)Nc1ccc(Cl)cc1F 3611859 LVHKEVNXLZKNDS-UHFFFAOYSA-N 320.707 3.026 0 40 DGAB COc1cccc(C2=C[C@@H](c3ccccc3)N3N=NNC3=N2)c1 13127727 JPWWJKWPUXQNAG-INIZCTEOSA-N 305.341 3.334 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)c1cccc2c1OCCO2 65518807 LHXJRPAKOKZBFR-UHFFFAOYSA-N 302.355 3.044 0 40 DGAB COc1ccccc1C(=O)COC(=O)c1cc2ccccc2[nH]1 5492347 MTKVFFHMZFLDBG-UHFFFAOYSA-N 309.321 3.216 0 40 DGAB O=C(NCCCSc1ccccc1)c1n[nH]c2ccccc12 6509140 DHYRMGOYNQCIBD-UHFFFAOYSA-N 311.410 3.475 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C\c3ccc(C)s3)C2=O)c1 4699509 JRRQRJDUHNBPJW-DHDCSXOGSA-N 312.394 3.458 0 40 DGAB CCOC(=O)C1CCN(C(=O)c2ccc3ccccc3c2)CC1 4698645 WEICORXHDRSYTG-UHFFFAOYSA-N 311.381 3.255 0 40 DGAB Cc1cccc(Nc2nc(C(=O)NC[C@@H]3CCCO3)cs2)c1 4687903 ZFTXFLZJWNOSNY-ZDUSSCGKSA-N 317.414 3.104 0 40 DGAB COc1cccc(NC(=O)Nc2nnc(CC(C)C)s2)c1 4677268 LWAALBFZCRIPBV-UHFFFAOYSA-N 306.391 3.389 0 40 DGAB CCSc1nc2cc(Cl)ccc2c(=O)n1C[C@@H]1CCCO1 5571406 ILXZRPRKAWECNI-NSHDSACASA-N 324.833 3.341 0 40 DGAB CCNC(=O)c1ccccc1-c1nc(-c2ccccc2OC)no1 5556907 RTZWBVOZIZKQAU-UHFFFAOYSA-N 323.352 3.162 0 40 DGAB COCCSc1nnc(Cc2c(F)cccc2Cl)o1 66257638 BWPZEBMUHRNWPB-UHFFFAOYSA-N 302.758 3.191 0 40 DGAB COc1ccc(C)cc1CC(=O)Nc1cccc(NC(C)=O)c1 9450268 BKLWXSMGVAWPIB-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB Cc1cnc(-c2cccc(NC(=O)c3ccc4[nH]nnc4c3)c2)o1 66857412 LCSBQHQFSRRYDF-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1ccccc1F 71858969 RFWVBCVHLGPJJA-DMZKTXOQSA-N 319.401 3.126 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccc(F)cc2)cc1 67086115 XZKNDFCUJWSQOL-CQSZACIVSA-N 301.361 3.260 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)Nc2ccc3c(c2)CCC3)s1 7776718 HAKXGAVXYIIJIW-VIFPVBQESA-N 319.455 3.455 0 40 DGAB Cc1nc2cc(NS(=O)(=O)c3cccc(F)c3)ccc2o1 8109933 XQMPXZYMSLRBEQ-UHFFFAOYSA-N 306.318 3.076 0 40 DGAB C[C@H]1SC(=N)N(c2ncc(Cc3ccccc3)s2)C1=O 16789808 NDJRCKOBXDYNEO-SECBINFHSA-N 303.412 3.137 0 40 DGAB COc1ccc(C)cc1CC(=O)Nc1ccc(NC(C)=O)cc1 8390847 MUBXGCIIRLKJHO-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB O=C(OCc1ccsc1)c1ncccc1OCC(F)(F)F 83943113 OBUVMSNZHXKJMD-UHFFFAOYSA-N 317.288 3.441 0 40 DGAB Clc1cnc(CN2CCCC[C@H]2C2OCCO2)c(Cl)c1 97045690 IAXXLWSMZWGTJM-ZDUSSCGKSA-N 317.216 3.116 0 40 DGAB CCc1nc([C@@H]2CCCN(C(=O)CC3=CCCCC3)C2)no1 72270319 FYDHDNRSVIYZHM-CQSZACIVSA-N 303.406 3.229 0 40 DGAB CCOc1cc(C(=O)N2CCCC[C@H]2c2nccs2)ccn1 72287467 NCDKMQHHVLQVFC-ZDUSSCGKSA-N 317.414 3.304 0 40 DGAB Cc1csc([C@@H](C)CNC(=O)NCCc2ccsc2)n1 97109782 RLBGTZITZNWXRU-JTQLQIEISA-N 309.460 3.158 0 40 DGAB C[C@@H](CCCO)NC(=O)c1cccc2c3c([nH]c12)CC[C@@H](C)C3 95966937 MTXRLMUBGNRGJP-OLZOCXBDSA-N 314.429 3.184 0 40 DGAB Cc1oc(-c2ccco2)nc1Cn1cnc2c(C)cccc2c1=O 72627267 ULFYJZJJVWPHJA-UHFFFAOYSA-N 321.336 3.310 0 40 DGAB CC1(C)Cc2cccc(CNC[C@@H]3CCCn4ccnc43)c2O1 84673787 GIEBTHLVZZYQDF-INIZCTEOSA-N 311.429 3.264 0 40 DGAB O=C1[C@@H](N2Cc3ccccc3-c3ccccc3C2)CCN1C1CC1 95963685 ZMTPWEJZNBOBEJ-FQEVSTJZSA-N 318.420 3.433 0 40 DGAB Cc1cccc(N2C[C@H](C(=O)NC3CCC(C)CC3)CC2=O)c1 408641194 LASVSELPVROOOT-OGVSOVDVSA-N 314.429 3.043 0 40 DGAB Fc1cc(CNc2cccc3cc[nH]c23)ccc1-n1cncn1 547823032 WVTUWFQXFIRZNA-UHFFFAOYSA-N 307.332 3.500 0 40 DGAB CC(C)Cn1ncnc1CN[C@@H]1CCCC[C@H]1C(F)(F)F 124682137 YBKBBHISSVQQFZ-VXGBXAGGSA-N 304.360 3.145 0 40 DGAB O=C1OC(c2ccc(Cl)cc2)=N/C1=C/c1ccc(O)cc1O 408848870 WQVIFYFCXCLOFZ-NTUHNPAUSA-N 315.712 3.096 0 40 DGAB C[C@H]1CC[C@@](C)(C(=O)CN2C(=O)c3ccccc3C2=O)C1(C)C 3846153 SUWQWMJVXMAAJM-BUXKBTBVSA-N 313.397 3.314 0 40 DGAB biogenic O=C(CNC(=O)Oc1ccccc1)NC1CCCCCCC1 408998231 ARWKJQIJRJIHBO-UHFFFAOYSA-N 304.390 3.004 0 40 DGAB CSc1ccnc(C[S@@](=O)c2nc3ccccc3[nH]2)c1C 34103524 DENFLHAXXHNAPQ-NRFANRHFSA-N 317.439 3.296 0 40 DGAB in-vitro COc1ccc(Cl)cc1CN[C@@H]1CCCc2c1cnn2C 37996998 FJCCKTYXGKVHRY-CQSZACIVSA-N 305.809 3.249 0 40 DGAB O=C([C@H](O)C1CCCCC1)N(Cc1ccc(O)cc1)CC1CC1 188550143 ZHNMMAAUUINUHF-GOSISDBHSA-N 317.429 3.072 0 40 DGAB Cc1ncsc1C(=O)N(C)Cc1nc(C(F)(F)F)cs1 74455787 VCDSGCLJICHUCB-UHFFFAOYSA-N 321.349 3.199 0 40 DGAB COc1ccc2c(c1)CCC[C@@H]2NC(=O)Cc1cccs1 224080374 CNGLWQKTKKYIPP-INIZCTEOSA-N 301.411 3.493 0 40 DGAB C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc(C(=O)O)o1 195551717 GHLBBMQGDUXXFK-MRVPVSSYSA-N 309.268 3.089 0 40 DGAB O=C([C@@H]1CSCCS1)N(CC(F)F)c1ccc(F)cc1 193844804 YRRIAAMHQUUEGC-NSHDSACASA-N 321.389 3.272 0 40 DGAB COC(=O)C1(C(=O)N(C)[C@H](C)c2sc(C(C)C)nc2C)CC1 195579202 OMPYPFOBBYMNJA-LLVKDONJSA-N 324.446 3.048 0 40 DGAB COc1ccc(C(=O)NCCOc2ccccc2C)cc1Cl 225130503 XNGKTDTXBIPVSU-UHFFFAOYSA-N 319.788 3.466 0 40 DGAB CC[C@H](C)n1nc(NC(=O)c2cnc(C)nc2C(C)C)cc1C 330684495 KDCQUQWHZISAAE-NSHDSACASA-N 315.421 3.637 0 40 DGAB O=C(Nc1cccc(SC(F)F)c1)N[C@H](CCO)C1CC1 96421920 LUSJOIZJNMZHCF-GFCCVEGCSA-N 316.373 3.284 0 40 DGAB Cc1cc(CNc2nnc(C(C)C)s2)ccc1-n1cncn1 97231679 WSEFBHLRTYNCBU-UHFFFAOYSA-N 314.418 3.163 0 40 DGAB C[C@H]1C[C@@H](NCCc2cn(C)c3cc(F)ccc23)C[C@@H](C)O1 582102785 WDRPTGPJJIDTSY-VIKVFOODSA-N 304.409 3.406 0 40 DGAB COc1ccc(CNCc2c[nH]nc2C)cc1OC1CCCC1 96403989 NGLBQVFUIFYKLN-UHFFFAOYSA-N 315.417 3.338 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3c(C)oc4c3CCCC4)C2)n1 257242963 IEXUFUCGKOCGKQ-CYBMUJFWSA-N 313.401 3.128 0 40 DGAB c1ccc2cc(CN3CCO[C@H](c4cnccn4)C3)ccc2c1 257313636 UTLFSOYBSCMBAV-IBGZPJMESA-N 305.381 3.203 0 40 DGAB c1cc2n(c1)[C@H](COCc1ccncc1)CN(C1CCCC1)C2 253597001 YWRHZPNJQDUTDP-IBGZPJMESA-N 311.429 3.399 0 40 DGAB CC1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)CC1 253476861 BTIIZGYDRCRTFM-BMFAXAFESA-N 309.494 3.311 0 40 DGAB CCN1CCC(N2CCC[C@H](Cc3ccc(C)nc3)C2)CC1 257295455 QYIZUXDCWSEKKA-GOSISDBHSA-N 301.478 3.129 0 40 DGAB Cc1cc(C)nc([C@H]2CCN(C(=O)c3cc4ccccc4[nH]3)C2)n1 257253572 JZKVRSLWGCXFFU-HNNXBMFYSA-N 320.396 3.204 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCC[C@@H](c2cnccn2)C1 257259858 LAIIDSKQVLOMDI-OAHLLOKOSA-N 318.380 3.045 0 40 DGAB CCC[C@@H](C)NC(=O)[C@@H](C)n1c(S)nnc1-c1cccs1 95392606 OVRAQZJKOKFCDK-NXEZZACHSA-N 324.475 3.161 0 40 DGAB Cc1nc(CN2CCC[C@H](O)[C@@H]2Cc2cccc(F)c2)cs1 1615142283 AVMSDMLYDFRVSU-IRXDYDNUSA-N 320.433 3.159 0 40 DGAB O=C(NC1CCCCC1)c1nc(-c2ccc3[nH]ccc3c2)no1 12408226 NZNCSTQWYOLHNT-UHFFFAOYSA-N 310.357 3.280 0 40 DGAB COc1cc(/C=C/C(=O)Nc2nc(C)cs2)cc(OC)c1 15581808 FMBHMFFBJGAOQG-SNAWJCMRSA-N 304.371 3.121 0 40 DGAB Cc1nc(SCc2ccc(Cl)cc2)nc(O)c1C[C@H](C)O 16981411 XZVUMBDOVHMJSP-VIFPVBQESA-N 324.833 3.360 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3ccc(F)cc3F)n2)cc1 19910556 IUKSHOMEFRKUGQ-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CC(C)c1nccn1CC1CN(c2ncc(Cl)cc2F)C1 2087122866 CYDDRDBYBJCRNX-UHFFFAOYSA-N 308.788 3.330 0 40 DGAB Cc1ccc(CNC(=O)C(=O)c2c(C)n(C)c3ccccc23)cc1 4062539 FBHLISQDKOXQHH-UHFFFAOYSA-N 320.392 3.294 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)CCc2ccccc2-3)nn1C 9001712 XFIXSDJSNDAPBL-UHFFFAOYSA-N 324.409 3.203 0 40 DGAB COc1ccc(OC)c(C(=O)Oc2ccccc2C(C)=O)c1 113703775 FHRXOLYXDKVTEJ-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB CC1(C)C(=O)CC[C@]2(C)[C@@H]1CC[C@@]13C[C@@H](CC[C@H]12)[C@](O)(CO)C3 5963975 MPDUJZZNNBJFAB-XYYNDNLRSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro Cc1nnc2n1N1C(=CS[C@H]1c1c[nH]c3ccccc13)S2 20715913 BIPXTLIDEXYXDG-ZDUSSCGKSA-N 313.411 3.356 0 40 DGAB COc1cc2c(cc1NC(=O)Cn1cccn1)oc1ccccc12 32492777 YFXFBPWPRBWRHO-UHFFFAOYSA-N 321.336 3.430 0 40 DGAB COc1ccc(CC(=O)NCCc2cccc3cccnc23)cc1 32898883 LTSMYMCONKJMLP-UHFFFAOYSA-N 320.392 3.145 0 40 DGAB C[C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccccn3)n2)C1 33183823 IHHDJMZXHYMRQB-QWHCGFSZSA-N 315.442 3.443 0 40 DGAB COc1ccc(F)cc1C(=O)NCCc1c[nH]c2ccccc12 23683429 LZRCHQIRCYLFEJ-UHFFFAOYSA-N 312.344 3.288 0 40 DGAB C[C@H]1COCCN1C(=O)CCC(=O)c1ccc2ccccc2c1 47508778 BHYMTNXASPTNSG-AWEZNQCLSA-N 311.381 3.050 0 40 DGAB S=C(N[C@@H]1C[C@H]2CC[C@H]1C2)N1CCC[C@H]1c1ccncc1 107329920 LNSQCEXJVCSXNV-HNKHHVNMSA-N 301.459 3.282 0 40 DGAB O=C(Cc1cc(F)ccc1F)Nc1ccc2ncc(Cl)n2c1 95986354 JDJRGKAFJKILPL-UHFFFAOYSA-N 321.714 3.447 0 40 DGAB Cc1ccc(S[C@@H](C)C(=O)NCCCN2CCCCC2)cc1 10277110 RMWHCSULYXPAAX-INIZCTEOSA-N 320.502 3.468 0 40 DGAB CC(C)CCn1c(SCC(=O)NC2CC2)nc2ccccc21 12525086 VARWLIIIHRXHOE-UHFFFAOYSA-N 317.458 3.453 0 40 DGAB Cc1ccc(Cl)cc1-c1ccc(/C=C2\NC(=O)NC2=O)o1 12548841 NWAJWEJHKKWALJ-GHXNOFRVSA-N 302.717 3.089 0 40 DGAB Cc1cc(C)c2cc(C(=O)NCc3ccc4c(c3)OCO4)[nH]c2c1 27681320 MDIXWESBCLCRCF-UHFFFAOYSA-N 322.364 3.443 0 40 DGAB COc1ccc(OC)c(C(=S)NCc2ccc(C)cc2)c1 9188168 QWBHCDOJGKSILW-UHFFFAOYSA-N 301.411 3.478 0 40 DGAB Cc1cccc(CN2CC[C@H]3OCCC[C@@]3(COC(C)C)C2)n1 107712811 ZBZVUIRSKQEMEE-MOPGFXCFSA-N 318.461 3.186 0 40 DGAB CC(C)[C@H](NC(=O)N[C@H](C)Cn1ccnc1)c1cccs1 45123920 HSRSOUPQHJNENC-OCCSQVGLSA-N 306.435 3.030 0 40 DGAB Cc1cc(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)c(C)o1 97199031 LSQMELMWKQJKIT-CYBMUJFWSA-N 315.417 3.135 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)NCCCN1CCCC1 55194565 CFWJIZFJHPHENG-UHFFFAOYSA-N 324.852 3.100 0 40 DGAB COc1cccc(CNc2cccc(N3CCCNC3=O)c2)c1 95429349 HDOLAXDWMCJXGG-UHFFFAOYSA-N 311.385 3.227 0 40 DGAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)c2ccccn2)cc1 45866503 DUMXQHXKDCSWNV-CQSZACIVSA-N 313.401 3.429 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)c1cc2ccccc2c(=O)[nH]1 29869772 JREKYUCZSWSASE-LBPRGKRZSA-N 322.364 3.028 0 40 DGAB COc1ccc(-c2n[nH]c(SCc3nc(C)c(C)o3)n2)cc1 60534134 ULZFGUSSDLVJBD-UHFFFAOYSA-N 316.386 3.377 0 40 DGAB O=C1S[C@H](Nc2ccc(F)cc2)C(=O)N1Cc1ccccc1 12042940 WVIRZPZJRIDVMN-AWEZNQCLSA-N 316.357 3.459 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@H]1Cc1cccc(F)c1 46625695 OLERVPFYSUEYTA-INIZCTEOSA-N 316.376 3.207 0 40 DGAB COCCN(CCOC)C(=O)Nc1ccc(Cl)c(Cl)c1 3203052 HVYDFMUHWVGOLJ-UHFFFAOYSA-N 321.204 3.120 0 40 DGAB CC(C)n1ncc2cc(NC(=O)[C@@H](C)Oc3ccccc3)cnc21 12774915 CVJQDHHEHXYURD-CYBMUJFWSA-N 324.384 3.418 0 40 DGAB CC(=O)Nc1ccc(CC(=O)Nc2cnc3ccccc3c2)cc1 12754779 HLNBNFBSUTVHAX-UHFFFAOYSA-N 319.364 3.374 0 40 DGAB O=C(NC(C1CC1)C1CC1)N1CCC[C@@H](N2CCCCCC2)C1 95953305 RDJIXYHGQUMPRQ-QGZVFWFLSA-N 319.493 3.225 0 40 DGAB O=C(CCCc1cccs1)NCc1ccc2c(c1)OCO2 3344383 IWUVSCCCRZSJRU-UHFFFAOYSA-N 303.383 3.116 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)c1cccs1 12878809 QSMPOZWOPBKLEJ-JTQLQIEISA-N 300.383 3.124 0 40 DGAB Cc1ncc(/C=C/C(=O)Nc2ccc(/C=C/C(=O)O)cc2)s1 95970405 WILOCQPDUGIUCL-UQZXCRFKSA-N 314.366 3.201 0 40 DGAB C[C@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@H](C)O1 3420753 DJSPBMZLISMIAM-KBPBESRZSA-N 320.396 3.305 0 40 DGAB C[C@H](NC(=O)COC(=O)c1ccc(Cl)cc1)c1ccccc1 3512364 MKRVUJRFODRNQW-LBPRGKRZSA-N 317.772 3.374 0 40 DGAB O=C(NC1=NCCS1)c1cccc2c3c([nH]c12)CCCCC3 12980595 UVPAVICVPRHHSK-UHFFFAOYSA-N 313.426 3.269 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)NC[C@@H](C)N(C)c1ccccc1 65503320 LWBZPFUHXWRQPW-CHWSQXEVSA-N 315.417 3.036 0 40 DGAB Cc1ccc(-c2cc(C(=O)NCc3ccccc3)n[nH]2)c(O)c1C 5343551 BHMVYWWXJIJQEQ-UHFFFAOYSA-N 321.380 3.329 0 40 DGAB CCOC(=O)c1sc(NC(=O)CSC(C)(C)C)nc1C 14129513 QZZWRYXYXDRBOF-UHFFFAOYSA-N 316.448 3.098 0 40 DGAB N=C1c2ccccc2CN1NC(=O)CC12CC3CC(CC(C3)C1)C2 6476251 HJRRHPQXXWIXOM-UHFFFAOYSA-N 323.440 3.465 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)n2cc(Br)cn2)cc1C 28224150 OODHHJVHTBUJBI-LLVKDONJSA-N 322.206 3.462 0 40 DGAB Cc1ccc(S(=O)(=O)NCCCSc2ccccc2)cc1 7216869 NGNGOOQRLOVZBO-UHFFFAOYSA-N 321.467 3.456 0 40 DGAB COCc1nc(C)cc(N2CCC[C@@H]2c2ccccc2OC)n1 80678009 UMIFCDVZJMGOJA-OAHLLOKOSA-N 313.401 3.282 0 40 DGAB COc1ccc(OCCN(C)C(=O)c2cc3ccccc3[nH]2)cc1 8095103 WPIGARGNXOTCRR-UHFFFAOYSA-N 324.380 3.328 0 40 DGAB CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(OC)cc1Cl 71853971 KTXYIWVYCWKADG-LBPRGKRZSA-N 312.797 3.381 0 40 DGAB O=C(NC[C@@H](O)C1CCCCC1)Nc1cccc2cnccc12 69221292 MVFSAOXQASYLSI-QGZVFWFLSA-N 313.401 3.298 0 40 DGAB CN(CCC1CCCCC1)C(=O)c1ccc2c(c1)OCC(=O)N2 83859404 AOKIAWJKWLQRTO-UHFFFAOYSA-N 316.401 3.060 0 40 DGAB COc1ccc(CNC(=O)N(C)Cc2cccs2)cc1OC 17069131 ANVFNQOWSWBSEL-UHFFFAOYSA-N 320.414 3.107 0 40 DGAB CNC(=O)c1cnc(/C=C/C=C/c2ccccc2OC)s1 69490943 LYIQZTWMETUQET-GZFKCFCKSA-N 300.383 3.238 0 40 DGAB CN(C(=O)C1CC1)[C@H](c1cccnc1)c1ccc(F)cc1F 69581359 HXNULIRKOYSNHZ-MRXNPFEDSA-N 302.324 3.318 0 40 DGAB CC(=O)c1cccc(NC(=O)N[C@H](c2nc(C)no2)C(C)C)c1 69704146 FHDCWPJRMINXSH-AWEZNQCLSA-N 316.361 3.099 0 40 DGAB CCC[C@H](C)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 69874500 JTAHLBRKUNFCQH-GJZGRUSLSA-N 304.434 3.074 0 40 DGAB CCCCc1ccc(NC(=O)CNC(=O)OC(C)(C)C)cc1 72043279 SVYQZOCFBBXQCF-UHFFFAOYSA-N 306.406 3.492 0 40 DGAB CN(Cc1cccnc1)[C@H]1CCCC[C@H]1N(C)Cc1cccnc1 95995924 ZFAOMZBZBKFGOQ-BGYRXZFFSA-N 324.472 3.352 0 40 DGAB O=C1CC[C@@H](N[C@H]2CCCSc3ccc(Cl)cc32)CN1 95968068 IIFKTVBSKKYWEM-YPMHNXCESA-N 310.850 3.135 0 40 DGAB Cc1cnn(C2CN(Cc3csc(Cc4ccccc4)n3)C2)c1 72253868 USTFBIJDBBIESC-UHFFFAOYSA-N 324.453 3.296 0 40 DGAB CC[C@H](NC(=O)c1ccnc(OC2CCC2)c1)c1nccs1 89572639 ISJVKOSGTBSVTE-ZDUSSCGKSA-N 317.414 3.351 0 40 DGAB O=C(c1ccc(-c2ccco2)[nH]c1=O)N1CC[C@H]1c1ccccc1 75125390 ILJDCABUARMTAH-INIZCTEOSA-N 320.348 3.222 0 40 DGAB O=C(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1ccccn1 75134358 KPUYOIJNDFCWJE-ZDUSSCGKSA-N 316.332 3.031 0 40 DGAB CCn1c(S[C@H](C)C2CCOCC2)nnc1-c1ccco1 521395022 QWGSLMFSCSJRHG-LLVKDONJSA-N 307.419 3.465 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)C2(c3ccccc3)CCOCC2)C1 72265170 GJDARROLDGSYMQ-HZPDHXFCSA-N 301.430 3.239 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CO)C1 32098771 ALBDGYQRKQAUJW-DZGCQCFKSA-N 309.381 3.159 0 40 DGAB COc1cc(CNC(=O)c2ccccc2Cl)cc(OC)c1 41125351 RUYVMTPXXWJHGM-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CN(CCNC(=O)Cc1ccc(Cl)cc1F)c1ccccc1 224924049 LTNOXUQTSORERR-UHFFFAOYSA-N 320.795 3.274 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)CCCc2ccccc2)C1 48331996 SRFMPTKGTMNNCM-ROUUACIJSA-N 316.489 3.494 0 40 DGAB COc1ccc2oc(-c3cc(-n4cnnc4)cc(C)c3O)nc2c1 45920612 BCTAWSYISFFZGS-UHFFFAOYSA-N 322.324 3.098 0 40 DGAB CCOc1ccc(C[C@@H](Oc2ccccc2C)C(=O)O)cc1 225106430 LYJGELMLFFMPNW-QGZVFWFLSA-N 300.354 3.468 0 40 DGAB O=C(O)c1cc(Br)c2nc(Cl)c(Cl)nc2c1 85386246 DHLFAPJPWWCOJT-UHFFFAOYSA-N 321.945 3.397 0 40 DGAB COc1ccc(C)cc1C[C@H](Oc1ccccc1OC)C(=O)O 225118147 VPPRMJGBBINSSE-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CCOC(=O)c1cnc2ccc(C(F)(F)F)cc2c1N(C)C 40175517 HPMPKSOXCZWNLV-UHFFFAOYSA-N 312.291 3.496 0 40 DGAB C[C@@H](NC(=O)c1cccnc1S)c1cccc(-n2ccnc2)c1 96432119 YGYSGRSENXNNFL-GFCCVEGCSA-N 324.409 3.047 0 40 DGAB Cc1ncsc1C(=O)NC[C@H]1SCCc2ccccc21 96454666 WEFZJFWIIFLYFS-CYBMUJFWSA-N 304.440 3.212 0 40 DGAB C[C@@H]1CC[C@@H]1COc1ccc(I)cn1 96526324 GACFBUZVPLDDIU-RKDXNWHRSA-N 303.143 3.111 0 40 DGAB NC1CCN(c2cc(-c3ccc(F)cc3)nc(C3CC3)n2)CC1 96516966 XNYUKOMNCHLROX-UHFFFAOYSA-N 312.392 3.088 0 40 DGAB CO[C@@](C)(C(=O)N[C@@H](C)c1ncccc1F)c1ccccc1F 585087973 FDFARJVGOPTWDB-APPDUMDISA-N 320.339 3.099 0 40 DGAB Cc1nc(NC[C@H](C(=O)O)C(C)C)c2c3c(sc2n1)CCC3 1594460251 ZOXNMHJDJIZAQE-NSHDSACASA-N 319.430 3.257 0 40 DGAB O=C(Nc1nc(Br)cc2ccccc12)[C@@H]1CCCO1 585125372 PQCJSDPRXPYDCC-NSHDSACASA-N 321.174 3.115 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)CCCc3ccncc3)CC[C@@]2(C)C1 257275976 NRUZMRHKCZHPTD-LMMKCTJWSA-N 316.445 3.210 0 40 DGAB O=C(O)C[C@@H](CC(=O)NCc1ccsc1)c1cccs1 90607327 NZPKWYVFNYZTRY-LLVKDONJSA-N 309.412 3.074 0 40 DGAB O=C1CC[C@@]2(CCCN(CC3CC3)CC2)N1Cc1ccccc1 585100459 KXCMZPSPKWEYHU-HXUWFJFHSA-N 312.457 3.444 0 40 DGAB CCN(CC)[C@H](C(=O)N(C)Cc1ccccn1)c1ccccc1 69845990 UPTXUTPSPIINSU-SFHVURJKSA-N 311.429 3.123 0 40 DGAB Cn1cc([C@@H]2CN(C(=O)C3CCCCC3)Cc3ccccc32)cn1 585410190 XEYXDYPUMBBXDR-IBGZPJMESA-N 323.440 3.475 0 40 DGAB N/C(=C\S(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 5641841 RSGLQTJQWLKOHQ-ATVHPVEESA-N 317.454 3.477 0 40 DGAB CC(=O)c1cccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)c1 5677944 PKADGZNRQLLJDA-LBPRGKRZSA-N 301.317 3.434 0 40 DGAB CCCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1OC 11566042 GHTMKXQAKWTUPE-UHFFFAOYSA-N 312.218 3.080 0 40 DGAB Cc1ccc2cc(CNc3ccc4[nH]ncc4c3)c(=O)[nH]c2c1 19234189 KCUPYUFPNLBPAH-UHFFFAOYSA-N 304.353 3.325 0 40 DGAB COc1ccc2c(c1OC)O[C@@H]1c3ccc(O)cc3OC[C@H]21 14820588 UOVGCLXUTLXAEC-IUODEOHRSA-N 300.310 3.019 0 40 DGAB endogenous,in-man COc1cc(OC)c(C(=O)OCc2ccc(F)cc2)cc1OC 4870485 KYZXZMMZBYHQLI-UHFFFAOYSA-N 320.316 3.209 0 40 DGAB O=C(Nc1ccccc1)N(Cc1cccnc1)C[C@@H]1CCCO1 6399648 WCAAATZMQGPXQY-KRWDZBQOSA-N 311.385 3.295 0 40 DGAB Cn1c([C@H](C#N)C(=O)c2ccc(Cl)nc2)nc2ccccc21 15906763 OJCUFZXMUKSIKL-LLVKDONJSA-N 310.744 3.112 0 40 DGAB COc1ccc(Oc2nccnc2-n2nc(C)c(C)c2C)cc1 2087035489 UVNIRIWWUXCIGO-UHFFFAOYSA-N 310.357 3.388 0 40 DGAB COc1cccc(=O)c2c(C)n(-c3ccc4c(c3)OCO4)c(C)c12 488286 GGXKNUNKTQKFHW-UHFFFAOYSA-N 323.348 3.345 0 40 DGAB biogenic CCCCC(=O)/N=c1\sc2cc3c(cc2n1CCC)OCO3 101061468 RNAVTXMKMCWGIN-MSUUIHNZSA-N 320.414 3.459 0 40 DGAB O=C(NC[C@H]1CCCN1c1ccccc1)c1c(F)cccc1F 207991214 POHSTUZBQRETFU-CQSZACIVSA-N 316.351 3.364 0 40 DGAB O=C(c1ccccn1)N1CCS[C@H](c2cccs2)CC1 219500377 NHCIPJSLFOASJA-AWEZNQCLSA-N 304.440 3.464 0 40 DGAB O=C(NC[C@H](c1cccs1)n1cccn1)c1ccsc1 575609853 ILBJAORBKZEXEL-GFCCVEGCSA-N 303.412 3.026 0 40 DGAB O=C(CCSc1ccccc1)NCc1ccc2c(c1)OCO2 6496069 GIDFZMRKTDOWMZ-UHFFFAOYSA-N 315.394 3.214 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC(C)(C)O1 105045896 VMZVMULOYYHKSA-MRVPVSSYSA-N 302.296 3.135 0 40 DGAB C[C@@H](NC(=O)NCc1ccc2c(c1)OCO2)c1ccccc1F 30982883 JGLBOWJZFBEHMB-LLVKDONJSA-N 316.332 3.115 0 40 DGAB COc1cccc(CNC(=O)c2oc3c(c2C)C(=O)CCC3)c1 40515812 XZJLXANQDOEPAB-UHFFFAOYSA-N 313.353 3.046 0 40 DGAB CCOc1ccc(NC(=O)CSCc2ccncc2)cc1 40555284 QDBJPSVSPBJZJC-UHFFFAOYSA-N 302.399 3.352 0 40 DGAB COc1ccc(CN2CCN([C@H]3C[C@H]4CC[C@H]3C4)CC2)cc1 101262962 VACDMCFOADTCIC-LNLFQRSKSA-N 300.446 3.001 0 40 DGAB CN(Cc1ccco1)C(=O)CCC(=O)c1ccc2c(c1)CCC2 32676098 COKSTDMKIYRXHG-UHFFFAOYSA-N 311.381 3.390 0 40 DGAB CC(C)C[C@@H](C)N(C)c1ccc2nnc(C(F)(F)F)n2n1 32779349 APICCHLCKMNZAZ-SECBINFHSA-N 301.316 3.014 0 40 DGAB CCOc1ccc(NC(=O)CCN2CCc3ccccc3C2)cc1 368048 QMRUFYUGIUIOPI-UHFFFAOYSA-N 324.424 3.472 0 40 DGAB COc1ccc(C)cc1CCNC(=O)N[C@H]1CCCC[C@@H]1C 32862900 SHWXEELVULJFTQ-HOCLYGCPSA-N 304.434 3.424 0 40 DGAB Cc1cc(OCC(=O)NC(C)(C)C)ccc1Br 580922 BFOZEKFZFLFLBT-UHFFFAOYSA-N 300.196 3.051 0 40 DGAB Cc1noc(C)c1CSCC(=O)Nc1ccc2c(c1)CCO2 23102326 NEGZCKIZAXFBQJ-UHFFFAOYSA-N 318.398 3.098 0 40 DGAB Cc1ccc(NC(=O)Cn2nnc3ccccc32)cc1Cl 411307 XMTDJJRJHCPSKS-UHFFFAOYSA-N 300.749 3.032 0 40 DGAB COc1ccccc1CCNC(=O)Cc1c(C)[nH]c2ccccc12 24479565 WPPREVWMJDWXHA-UHFFFAOYSA-N 322.408 3.386 0 40 DGAB CC(C)C[C@](CCN(C(C)C)C(C)C)(C(N)=O)c1ccccn1 2016047 ZZOZYGHXNQPIPS-IBGZPJMESA-N 319.493 3.360 0 40 DGAB in-man COc1cccc(CC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 24864679 KKJBNIQWNRJJGW-CHWSQXEVSA-N 315.335 3.475 0 40 DGAB O=C(Cc1ccsc1)Nc1cccc(N2CCCCC2=O)c1 24940364 OJRPAECKOQHNCA-UHFFFAOYSA-N 314.410 3.446 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1cc(C)cc(C)c1 3619353 XJYHPSXKFUFDAH-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB O[C@@H](COc1ccccc1)CSc1nncc2ccccc12 6829601 CRBUACPJEZGXAD-AWEZNQCLSA-N 312.394 3.162 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)NC1CCCCCCC1 7667764 PPEFOUYHNHEAMU-UHFFFAOYSA-N 311.447 3.395 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccccc1Cl)Cc1ccccc1 57287883 DSTFEGBBWGAUEG-OAHLLOKOSA-N 316.832 3.243 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c3ccc(F)cc23)cc1 8560226 MTVRIURMPWNDKK-UHFFFAOYSA-N 312.344 3.288 0 40 DGAB O=C(NCc1ccco1)C1(c2cc(-c3cccs3)on2)CC1 56918898 OTFKWSLNTMNEMS-UHFFFAOYSA-N 314.366 3.344 0 40 DGAB CCCCNC(=O)C[S@](=O)Cc1ccc(C(C)(C)C)cc1 58130877 FJEZNHFXWFFOAH-NRFANRHFSA-N 309.475 3.149 0 40 DGAB O=C(c1cccc(C(F)(F)F)c1)N1CCCN(C2CC2)CC1 58379449 SZXFZKRJUPUCMS-UHFFFAOYSA-N 312.335 3.016 0 40 DGAB O=C(Nc1ccc[nH]c1=O)C1(c2cccc(Cl)c2)CCC1 58378743 YMGDAOTZVDBOJE-UHFFFAOYSA-N 302.761 3.089 0 40 DGAB CN(Cc1cc(Br)cs1)C(=O)c1ccncc1 48069568 KNFUFHFGDWUKIM-UHFFFAOYSA-N 311.204 3.178 0 40 DGAB CCN(Cc1nc(-c2cccc(Br)c2)no1)C1CC1 46058864 MHKJKYYSFAFANI-UHFFFAOYSA-N 322.206 3.483 0 40 DGAB COCCN(Cc1ccco1)Cc1nc(-c2ccsc2)no1 46062120 VZBVQZYNSPTYRE-UHFFFAOYSA-N 319.386 3.040 0 40 DGAB CN1CC[C@@H](CN(C)Cc2ccc3cccc(Cl)c3n2)C1 56682339 DFNIKCRYFFWXPL-CYBMUJFWSA-N 303.837 3.272 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N[C@H](C)c2nc3ccccc3[nH]2)c1C 60932329 JCPWRUZSQYVPHW-LLVKDONJSA-N 324.384 3.201 0 40 DGAB O=C(c1cncc(Br)c1)N1CCc2sccc2C1 12215674 MHBZLEXITWUOJA-UHFFFAOYSA-N 323.215 3.104 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)COC(=O)Cc1ccc(Cl)cc1 3238353 SMJLRKKQPDCJMZ-STQMWFEESA-N 323.820 3.215 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1n[nH]c2ccccc12 12604350 AJTUKGSZYFFEJA-UHFFFAOYSA-N 324.365 3.209 0 40 DGAB CC(C)[C@H](C(=O)NCc1ccccc1)N1CCc2ccccc2C1 48304220 MWMLMVRAADEZLS-HXUWFJFHSA-N 322.452 3.386 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2oc3ccc(F)cc3c2C)o1 48302093 YCXARWDJCDJIFT-QMMMGPOBSA-N 304.277 3.490 0 40 DGAB Cc1cccc(N2CCN(CC(=O)c3ccccc3)CC2)c1C 67206270 RTPPGJIOHKVCLF-UHFFFAOYSA-N 308.425 3.308 0 40 DGAB CC(=O)c1ccccc1NS(=O)(=O)c1ccc(C)c(C)c1 3581640 UFGWBWNLLQMVID-UHFFFAOYSA-N 303.383 3.307 0 40 DGAB Cc1cccc(C(=O)OCc2nc(-c3ccsc3)no2)c1N 22886384 FQADQRMRNBBSQU-UHFFFAOYSA-N 315.354 3.046 0 40 DGAB CCc1ccc(-n2nc3ccc(N)c(Br)c3n2)cc1 20134556 LMKRQPFWTFXJAL-UHFFFAOYSA-N 317.190 3.328 0 40 DGAB COc1ccc(NC(=O)NCc2cc(OC)ccc2OC)cc1 12925023 AGUFLSUUGXNNJR-UHFFFAOYSA-N 316.357 3.034 0 40 DGAB c1ccc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)nc1 9112647 HJOPYKAVQZUDNT-UHFFFAOYSA-N 313.338 3.153 0 40 DGAB COC(=O)c1oc2c(c1C)C(=O)C[C@H](c1ccccc1OC)C2 4084465 SGDAZRUGVPXFCB-NSHDSACASA-N 314.337 3.296 0 40 DGAB biogenic C[C@H](NC(=O)c1ccc2[nH]c(=S)oc2c1)c1nccs1 73439922 OUTHXFZEMYFVKP-ZETCQYMHSA-N 305.384 3.438 0 40 DGAB Cn1c(SCc2ccc(F)cc2)nc2ccsc2c1=O 9364123 KDRJYXMATGLLCD-UHFFFAOYSA-N 306.387 3.426 0 40 DGAB c1ccc(CCc2nn3c(-c4cccnc4)nnc3s2)cc1 4511756 AJDLPFFLISMBSR-UHFFFAOYSA-N 307.382 3.033 0 40 DGAB c1ccc2c(NCc3ccc4c(c3)OCCCO4)ncnc2c1 66818902 MOEOEKRUCYJLKW-UHFFFAOYSA-N 307.353 3.403 0 40 DGAB O=C1COc2ccccc2CN1Cc1ccc(F)cc1Cl 67323757 YHZPKVDQBXHPGR-UHFFFAOYSA-N 305.736 3.400 0 40 DGAB C[C@H](NCc1ccnc(O[C@@H]2CCOC2)c1)c1cccc(F)c1 90955531 XLIBFTNSJFXGGO-SUMWQHHRSA-N 316.376 3.239 0 40 DGAB CCn1cc(C(=O)NC(C)(C)C)c(=O)c2cc(Cl)ccc21 95993602 ZFNIFMOVOAYTEI-UHFFFAOYSA-N 306.793 3.203 0 40 DGAB COc1cccc(N2CC[C@@H](CNCc3ccsc3)C2)c1 71924607 MADYOUUGBJKJDJ-AWEZNQCLSA-N 302.443 3.373 0 40 DGAB Nc1nc(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n[nH]1 17972435 RFONINHLEIKIRB-CQSZACIVSA-N 310.382 3.103 0 40 DGAB COc1ccccc1COC1CCN(CC(F)(F)F)CC1 92424597 COVUAUNPAVVUSX-UHFFFAOYSA-N 303.324 3.239 0 40 DGAB CC[C@@H](C(=O)OC)N(C(=O)c1ccc(C)o1)c1ccccc1 72287312 WFMQBSWJIGTIGE-AWEZNQCLSA-N 301.342 3.186 0 40 DGAB C[S@](=O)Cc1ccccc1NC(=O)NCc1ccccc1F 97141011 YFQWGFYYTMMOMM-JOCHJYFZSA-N 320.389 3.026 0 40 DGAB Cc1ccc(N2CCN(C(=O)c3ccc(C)c(F)c3)CC2)cc1 72331351 KPWWKJFOGRYBRL-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB CCc1cnc(NC(=O)c2cc(NC(C)=O)ccc2F)s1 72303051 IGOCQEVVXSJPDP-UHFFFAOYSA-N 307.350 3.055 0 40 DGAB OC1=Nc2c(cnn2Cc2ccco2)[C@H](c2ccc(O)cc2)C1 72405277 HGQZPGBWXDETJQ-AWEZNQCLSA-N 309.325 3.354 0 40 DGAB C[C@@H](NC(=O)N(C)Cc1nccs1)c1csc(C2CC2)n1 74891024 FJMIRCPSGQUQBR-SECBINFHSA-N 322.459 3.380 0 40 DGAB COc1ccc([C@@H]2CCCCCN2C(=O)CN(C)C(C)C)cc1 84575468 PMHDVBYEJLZPNV-SFHVURJKSA-N 318.461 3.479 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)[C@@H]1CCCC[C@@H]1C(F)(F)F 89885433 PLMGAOHVVBHDNQ-WOPDTQHZSA-N 321.364 3.266 0 40 DGAB COCc1nc(CN2CCC[C@H]2c2noc(C(C)C)n2)cs1 76047210 YALMVJVVDWSXOB-LBPRGKRZSA-N 322.434 3.133 0 40 DGAB CCc1nc(N)c2c(n1)C[C@H](c1ccc(Cl)cc1)CC2=O 408712597 AEHVQFFKOJMXFY-JTQLQIEISA-N 301.777 3.187 0 40 DGAB COc1ccc(-c2nc(CCNCc3ccccn3)co2)cc1 78552590 USVLIAFQHLKDLF-UHFFFAOYSA-N 309.369 3.078 0 40 DGAB CN(C)CCCn1cnc2scc(-c3ccccc3)c2c1=O 21790153 QZMSBXDTFCINDG-UHFFFAOYSA-N 313.426 3.077 0 40 DGAB COc1ccc2[nH]cc(CC(=O)N(C)Cc3cccc(O)c3)c2c1 515968349 JBUMBHORXKHHDH-UHFFFAOYSA-N 324.380 3.083 0 40 DGAB COc1ccccc1C(=O)NCc1cccc(CN2CCCC2)c1 32461865 MFWWDKHHTAZVJM-UHFFFAOYSA-N 324.424 3.221 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1Cl 74935368 HICUXBCBMVUYFJ-UHFFFAOYSA-N 317.838 3.159 0 40 DGAB O=C(NC[C@H]1CC[C@@H](O)C1)Nc1ccc(OC2CCCC2)cc1 189537533 DMEQEVNEFUJCMB-DZGCQCFKSA-N 318.417 3.291 0 40 DGAB CN(C)c1cccc(C(=O)NCC2(c3cccs3)CC2)c1 38592976 CEUIUDVZZHCKPQ-UHFFFAOYSA-N 300.427 3.276 0 40 DGAB Brc1ccc(Cn2cc(NC3=NCCC3)cn2)cc1 217805079 PVCJKUBOXBHTIX-UHFFFAOYSA-N 319.206 3.298 0 40 DGAB CCN(CC)C(=O)c1cn(CC)c2ccc(Cl)cc2c1=O 181862400 NQCAAYWNFDGNLO-UHFFFAOYSA-N 306.793 3.157 0 40 DGAB Cc1nc(S(=O)(=O)Cc2csc(C(C)C)n2)sc1C 78810338 KEZXZHHGDRKPFN-UHFFFAOYSA-N 316.473 3.314 0 40 DGAB COC(=O)CCC(=O)N[C@H](c1ccc(Cl)cc1)C(F)(F)F 78190820 WGRGIRRELMXTMA-GFCCVEGCSA-N 323.698 3.013 0 40 DGAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc(O)c2)S1 222579401 VITZMJKQILECTF-LYRGGWFBSA-N 311.410 3.377 0 40 DGAB C[C@@H]1CCCCN1CCCc1nc2cc(C(=O)O)ccc2[nH]1 225294710 STTOTRGXICYGMA-GFCCVEGCSA-N 301.390 3.068 0 40 DGAB Cc1cc(C)cc(O[C@@H](C)C(=O)NCCOc2ccccc2)c1 224609028 JARMVHXDFPJTFG-INIZCTEOSA-N 313.397 3.266 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)NCCSC1CCCC1 46453930 AJUQSDQKGOYYLZ-UHFFFAOYSA-N 321.442 3.140 0 40 DGAB Cc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Cl)cn1 41095706 VTXQMBGCHQSQGT-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB CCc1ccc2nccc(N3CCC(n4ccnn4)CC3)c2c1 577823839 XUZMQMKTIDVPDB-UHFFFAOYSA-N 307.401 3.230 0 40 DGAB Cc1ccc2nc(SCCCS(=O)(=O)C(C)C)[nH]c2c1 96467296 BYSGRBFPCYEFBA-UHFFFAOYSA-N 312.460 3.177 0 40 DGAB Cc1nc(N2CCC(C)CC2)c(Br)cc1C(=O)O 95097595 NWBSSAMYYHVVHO-UHFFFAOYSA-N 313.195 3.087 0 40 DGAB CC[C@@H](CSC)N(C)C(=O)Nc1cccc([S@@](C)=O)c1 91174851 NJKBCOMICXZOTN-YUNKPMOVSA-N 314.476 3.029 0 40 DGAB C[C@@H](N[C@@H]1CCC(=O)N(C)C1)c1ccc(SC(F)F)cc1 95422864 FNPQCDJKTZNANN-ZYHUDNBSSA-N 314.401 3.273 0 40 DGAB COc1cccc2c1CCN(C(=O)c1ccc(C(C)=O)cc1)C2 97238700 ZOPWGANOYBZNRX-UHFFFAOYSA-N 309.365 3.096 0 40 DGAB COc1cccc2c1CCN(C(=O)NCc1ccsc1)C2 96501264 FHRSCJUSAKFOTE-UHFFFAOYSA-N 302.399 3.025 0 40 DGAB Cc1cscc1C(=O)N[C@H](C)c1nc(C)c(C(=O)O)s1 97235328 LKARWGZQICIMCC-MRVPVSSYSA-N 310.400 3.011 0 40 DGAB C[C@@]1(NC(=O)Nc2cccc(CCC(F)(F)F)c2)CCOC1 96485081 YNQQSRRXCZSOCQ-CQSZACIVSA-N 316.323 3.482 0 40 DGAB CC(C)N1CCC[C@H]1c1cncc(-c2ccccc2C(=O)O)n1 257310648 UFYNNVBXFAGATB-KRWDZBQOSA-N 311.385 3.387 0 40 DGAB C[C@H]1CN(Cc2cc(Cl)c3c(c2)OCCCO3)[C@@H](C)CO1 27644783 XJMWICSUMGZPBP-RYUDHWBXSA-N 311.809 3.111 0 40 DGAB CCOC(=O)c1csc2c1CCN(Cc1ccccc1)C2 157110609 KLCBXQAODSAFDE-UHFFFAOYSA-N 301.411 3.483 0 40 DGAB OC[C@@H]1CCCN(c2ccc3cc(Br)ccc3n2)C1 71920613 NIRHYYOSUKSNKG-LLVKDONJSA-N 321.218 3.206 0 40 DGAB Cc1c(C(=O)NC2CCCC2)c(C(F)(F)F)nn1C(C)C 44203994 YWHRCKVOSMTPQK-UHFFFAOYSA-N 303.328 3.464 0 40 DGAB Cc1cc(C)c(N2C(=O)[C@@H]3[C@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)c(C)c1 5957075 QBBAWFDMPDVLTB-SYMSYNOKSA-N 307.393 3.313 0 40 DGAB CC(C)(C)NC(=O)c1ccc(-n2ccnc2)c(-n2cccc2)c1 12088113 QWFDOMSRCOMGSC-UHFFFAOYSA-N 308.385 3.191 0 40 DGAB COc1cc(OC)c(NC2CCOCC2)cc1Br 152859756 SZUOHBNZUPTIKL-UHFFFAOYSA-N 316.195 3.057 0 40 DGAB CN(C)C(=O)[C@H](Sc1nc2ccccc2[nH]1)c1ccccc1 6649691 SNMBWKOZWYAIMU-OAHLLOKOSA-N 311.410 3.485 0 40 DGAB C[C@H](Sc1ncc(-c2ccc(F)cc2)o1)C(=O)NC1CC1 10715070 XMUKCNBQXSWJMW-VIFPVBQESA-N 306.362 3.240 0 40 DGAB CC1(C)[C@]2(C(=O)Nc3ccc(F)cc3F)CC[C@@]1(C)C(=O)O2 1432746 ISLONOZKUMQREE-JKSUJKDBSA-N 309.312 3.025 0 40 DGAB Cc1cc(Cl)ccc1OCCn1cnc2ccccc2c1=O 104761929 USUXEBYYORISCI-UHFFFAOYSA-N 314.772 3.437 0 40 DGAB O=S(=O)(Nc1ccc2nc[nH]c2c1)c1ccc(Cl)cc1 40285764 RFCFKGGEEJYRQA-UHFFFAOYSA-N 307.762 3.017 0 40 DGAB COc1cc(C(=O)Nc2ccc(Cl)c(C(N)=O)c2)ccc1C 40497037 RAPBNIRUSOCJBG-UHFFFAOYSA-N 318.760 3.008 0 40 DGAB O=C(/C=C/c1ccco1)NCC1(c2ccccc2)CCOCC1 174667 VMPCFFHTPCMDCB-CMDGGOBGSA-N 311.381 3.157 0 40 DGAB Fc1ccccc1Nc1ncnc2c1nnn2Cc1ccccc1 159223 UJDLDERLIKFXPP-UHFFFAOYSA-N 320.331 3.152 0 40 DGAB NC(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)cc2)cc1 116218 NPSXFHGQXLWIDV-XCVCLJGOSA-N 300.745 3.091 0 40 DGAB COc1ccc(C(=O)NCc2ccccc2Cl)cc1OC 281967 NKPJXZXWYXJALG-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1ccc(OCCCC(=O)NCc2nc(C)cs2)cc1 21482313 GOPNVANQGFERQD-UHFFFAOYSA-N 304.415 3.235 0 40 DGAB Cn1cnnc1-c1cccc(NC(=O)CCc2cccs2)c1 32817518 OUOCTNCBSKAFOC-UHFFFAOYSA-N 312.398 3.115 0 40 DGAB Fc1ccc([C@@H]2C[C@@H](c3cccs3)n3nnnc3N2)cc1 21653296 QALOYDAHLXYTRL-RYUDHWBXSA-N 301.350 3.020 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@]2(C)Cc3ccccc3C(=O)O2)c1 544057 HIXBCVCTZYIKSS-IBGZPJMESA-N 309.365 3.414 0 40 DGAB CC(C)(C)NC(=O)c1cc(-c2ccccc2)n(-c2ccccn2)n1 42194880 MCQHTMRZGODHSK-UHFFFAOYSA-N 320.396 3.463 0 40 DGAB O=C(Cc1ccc2c(c1)CCO2)Nc1ccc2ccccc2n1 54637104 TZHYYAJTTDCCGJ-UHFFFAOYSA-N 304.349 3.351 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)Nc1c(C)cccc1C 583227 DDUQBSTYZGJWID-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CC(C)(C)OC(=O)N1CCCc2ccc(CCCCN)nc21 2527464 UUFXZJQRVTXTHX-UHFFFAOYSA-N 305.422 3.051 0 40 DGAB O=C(C[C@@H](SCCO)c1ccc2c(c1)OCO2)c1ccco1 2708381 NAQUPBNATUIZMR-MRXNPFEDSA-N 320.366 3.048 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(=O)[nH]c2ccccc12 12565006 FQOMEPCVFGFKQT-QGZVFWFLSA-N 318.376 3.336 0 40 DGAB Cc1ccc(NC(=O)[C@H](C)OC(=O)c2[nH]nc3ccccc23)cc1 6370694 QXLFRZCYGGQSEN-LBPRGKRZSA-N 323.352 3.055 0 40 DGAB O=C(NOCc1ccccc1)c1csc(-c2ccco2)n1 25039800 WAOLUDPTXZRFHJ-UHFFFAOYSA-N 300.339 3.265 0 40 DGAB Cc1c(Cl)cccc1-n1ccnc1S[C@@H]1CCOC1=O 43866028 QVMIVWKCVLYOLQ-GFCCVEGCSA-N 308.790 3.242 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C2CC2)cc1 10677184 OSNGSIKQBHNILZ-KRWDZBQOSA-N 301.411 3.425 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 108363588 RYOWLCNCKSFXIC-HOTGVXAUSA-N 318.804 3.417 0 40 DGAB NC(=O)NCc1ccc(C(=O)Nc2cccc3ccccc23)cc1 26939944 SGWHSTMVZQGFPU-UHFFFAOYSA-N 319.364 3.260 0 40 DGAB COc1cccc(C(N)=O)c1OCc1cc(-c2ccccc2)on1 58064477 WNFQZKOKZQZBQX-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB Cc1cn(S(=O)(=O)c2ccc(C3CCCCC3)cc2)cn1 9062003 CYGQWTRZVVVVJT-UHFFFAOYSA-N 304.415 3.476 0 40 DGAB Cc1ccc(-c2nc(C)c(C(=O)N3CCOCC3)s2)c(C)c1 58214929 SWLDFIFUNWYRDV-UHFFFAOYSA-N 316.426 3.208 0 40 DGAB CC(=O)c1ccc(C(=O)Nc2ccccc2C[S@](C)=O)cc1 97139732 YJQXBUQINXDRIJ-JOCHJYFZSA-N 315.394 3.020 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)C1CCCC1)N1CCCC1 22679834 CKBKXHYTMZOXLP-QGZVFWFLSA-N 316.445 3.139 0 40 DGAB C[S@@](=O)Cc1ccccc1NC(=O)c1ccc(F)cc1F 97139757 MAOJEXIKCOPWJT-NRFANRHFSA-N 309.337 3.096 0 40 DGAB CCOC(=O)c1ccc(NC[C@@H](O)c2ccc(Cl)cc2)nc1 29525790 AKTPEZZWMZQTPQ-CQSZACIVSA-N 320.776 3.057 0 40 DGAB O=C(c1cc(-c2ccccc2)no1)N1CCO[C@H]2CCCC[C@H]21 46481786 DNILEXXDZJEFBJ-CVEARBPZSA-N 312.369 3.125 0 40 DGAB Cc1ccc(OCCSc2nc3c(c(=O)[nH]2)CCCC3)cc1 11905544 AUGDAIUJVBDNJD-UHFFFAOYSA-N 316.426 3.128 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2 108956910 MNJSXVUTJGKXPU-RLFYNMQTSA-N 300.446 3.191 0 40 DGAB CCN(CC)CCNc1nc(C(F)(F)F)nc2ccccc12 60846170 ULJOLXSGQWOSKP-UHFFFAOYSA-N 312.339 3.402 0 40 DGAB O=C(Cn1c(=O)oc2ccccc21)Nc1cccc2c1CCCC2 2927527 NRKUDUBYYHHJPT-UHFFFAOYSA-N 322.364 3.112 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)C2CC2)c2c(C)nn(C(C)(C)C)c2n1 48287301 SMFYQLOHNJBFES-NSHDSACASA-N 314.433 3.331 0 40 DGAB C[C@H]1OCCN(C(=O)Nc2ccccc2OC(F)(F)F)[C@@H]1C 95454885 RGODPVUNRLDQOG-NXEZZACHSA-N 318.295 3.226 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@H](c2ccccc2)N(C)C)c1C 25380619 XCMCMHSGOXXFDT-MRXNPFEDSA-N 300.402 3.238 0 40 DGAB C[C@@H](CC(C)(C)c1ccccc1)NC(=O)C1CCN(C)CC1 174773487 OVEKEHTULRJJKX-HNNXBMFYSA-N 302.462 3.201 0 40 DGAB CCC[C@@H](C)NC(=O)COC(=O)c1cc2ccccc2cc1O 3443252 VIUSJCLRWSTPRO-GFCCVEGCSA-N 315.369 3.007 0 40 DGAB COc1cccc(NC(=O)COC(=O)c2ccc(Cl)cc2)c1 3512281 TWOAVCQYBLWECC-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB O=C(NCc1cccc(NC(=O)C2CC2)c1)c1ccccc1F 12978481 HIJZRBLBVCFWTI-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)[C@H]1CCN(C2CCCCC2)C1 72313289 CSQBDUMVACLGMJ-GJZGRUSLSA-N 304.434 3.454 0 40 DGAB COc1ccc(-c2nc(NC(=O)[C@H]3CCCO3)sc2C)cc1 6510033 GVIVIQGHXBFBSB-CYBMUJFWSA-N 318.398 3.245 0 40 DGAB C[C@@H](Cc1ccccc1Br)NC(=O)Cc1ccc[nH]1 90064016 JVQPJVOVVUCINJ-NSHDSACASA-N 321.218 3.067 0 40 DGAB c1coc(-c2nc(CNC[C@H]3Cc4ccccc4O3)cs2)c1 67968053 DVWLVNAFOVRLPE-CQSZACIVSA-N 312.394 3.496 0 40 DGAB CC(C)c1nc(CN2CC[C@H](Oc3ccncc3)C2)cs1 95428243 GAWILCXPPMGOOF-HNNXBMFYSA-N 303.431 3.315 0 40 DGAB CCN(CC)CCNC(=O)[C@H](C)Oc1cccc2ccccc12 27974644 DNYXZVVLHIFFEE-HNNXBMFYSA-N 314.429 3.065 0 40 DGAB c1ccc2[nH]c(C3CCN(CCc4ccncc4)CC3)nc2c1 71897138 ZVIQNGFJEUOSEJ-UHFFFAOYSA-N 306.413 3.380 0 40 DGAB Sc1nnc(-c2cccc(Cl)c2)n1CCN1CCCCC1 19938674 LOTATGVWSZVHJX-UHFFFAOYSA-N 322.865 3.373 0 40 DGAB CCO[C@@H]1C[C@H](N(C)C(=O)c2cc(C(C)=O)c[nH]2)C12CCCC2 71920834 AEWQAJCYFQEGCK-JKSUJKDBSA-N 318.417 3.027 0 40 DGAB Cc1cccc(N(CCC(N)=O)Cc2ncc(C(C)(C)C)o2)c1 69570135 BZODKMQGOCBGIO-UHFFFAOYSA-N 315.417 3.163 0 40 DGAB Cc1cccc(C(=O)N(C)CC(=O)Nc2c(C)cccc2C)c1 9690196 FJYKZHDLGNWXDD-UHFFFAOYSA-N 310.397 3.323 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N[C@@H]2c3ccccc3C[C@H]2C)cc1 69772350 ITSVIQRZHRHAAC-XCLFUZPHSA-N 322.408 3.237 0 40 DGAB COc1ccc(NC(=O)Cc2ccc3c(c2)CCC3)cc1OC 8756202 XPXABKPCTUIUIU-UHFFFAOYSA-N 311.381 3.374 0 40 DGAB CC(C)N(C(=O)[C@@H]1C[C@]12CCc1ccccc12)C1CCOCC1 84597227 IVHOORUKUUBSSX-ICSRJNTNSA-N 313.441 3.307 0 40 DGAB CCC1(CC)[C@H](N[C@@H]2CCO[C@]3(CCSC3)C2)C[C@H]1OC 97034758 REFHWWMASNIYCA-KLHDSHLOSA-N 313.507 3.224 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1)C(=O)NCc1ccccc1OC 113960168 YQPPXCXOAIFSQG-QGZVFWFLSA-N 313.397 3.477 0 40 DGAB C[C@H](CC(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)n1cccc1 84636706 IEYKKLYQJHKDDI-TZMCWYRMSA-N 314.389 3.063 0 40 DGAB CN(CCCn1ccnc1)C(=O)C1(Cc2ccccc2)CCC1 95425886 GXCSHTFBSOJTCJ-UHFFFAOYSA-N 311.429 3.145 0 40 DGAB c1ccc(CN2CCO[C@H](c3nc(C4CCCC4)no3)C2)cc1 98013152 NEIKSUWXEXWPRC-INIZCTEOSA-N 313.401 3.301 0 40 DGAB O=C(Cc1cccnc1)N1CCc2c1cccc2C(F)(F)F 95940123 YSZVAOPFVGEKHH-UHFFFAOYSA-N 306.287 3.232 0 40 DGAB CCC1CCC(NC(=O)c2cc(OC)c(O)c(OC)c2)CC1 95978282 JTJJVPFJKHQNHJ-UHFFFAOYSA-N 307.390 3.108 0 40 DGAB O[C@H]1CCCC[C@H]1NC1CCN(Cc2ccccc2Cl)CC1 95967957 YJUDVJKXFHVFQC-MSOLQXFVSA-N 322.880 3.198 0 40 DGAB Cn1ccnc1[C@@H](Nc1nc(C2CC2)no1)c1ccc(F)cc1 89761343 MXKZGXPKDAKDOK-ZDUSSCGKSA-N 313.336 3.021 0 40 DGAB COCCCCCN1CCC[C@@H](C(=O)Nc2ccccc2)C1 76016832 DOWVNNUVUNKZBF-MRXNPFEDSA-N 304.434 3.154 0 40 DGAB Cn1cc(NC(=O)c2cc(-c3ccco3)nc3ccccc23)cn1 25311344 UDYKTVMTNSOHQE-UHFFFAOYSA-N 318.336 3.481 0 40 DGAB CC(=O)N1CCC(c2nc(C)cc(Oc3ccccc3)n2)CC1 72361767 USHZFXUFIJLMDS-UHFFFAOYSA-N 311.385 3.303 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccccn1 72406186 OITJWRYTWNXSGT-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N2CCC(C)CC2)cc1OC 30864100 IQQHLMSMYUOHCX-CYBMUJFWSA-N 323.458 3.443 0 40 DGAB CC1=CCC[C@@H](C)[C@H]1CNc1cccc(NS(C)(=O)=O)c1 187313134 UDBRROZCJBUMJS-CJNGLKHVSA-N 308.447 3.462 0 40 DGAB OC1CCN(Cc2cc(Br)ccc2Cl)CC1 71903151 WVOZNPCOJKYWEK-UHFFFAOYSA-N 304.615 3.059 0 40 DGAB CC[C@@H](COc1ccccc1)NC(=O)Cc1c(C)noc1Cl 72893730 CJOMXSZEJGEYBE-LBPRGKRZSA-N 322.792 3.153 0 40 DGAB Cc1ccc(CCCNC(=O)COc2ccccc2F)cc1 222776168 MOSXPCCNLOXHRV-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB O=C(Cn1ccc2ccc(F)cc21)Nc1cccnc1Cl 40288090 PTNRFYQOKKVLTH-UHFFFAOYSA-N 303.724 3.468 0 40 DGAB CCc1cccc(Nc2ncnc3c2cnn3C2CCNCC2)c1 228936406 MNPJKLUCGFXBNY-UHFFFAOYSA-N 322.416 3.057 0 40 DGAB N[C@@H](CC(=O)O)c1ccc(-c2ccc(Br)cc2)o1 44216722 FVEJIZQGYQSIOE-JTQLQIEISA-N 310.147 3.184 0 40 DGAB CC(C)(Cc1ccccc1)NS(=O)(=O)Cc1ccccc1F 225565643 HRGCQSJZUQZYEI-UHFFFAOYSA-N 321.417 3.266 0 40 DGAB CCOCCCNC(=O)Nc1ccc(Br)cc1F 48302013 XSQLEONBIPOELO-UHFFFAOYSA-N 319.174 3.136 0 40 DGAB CCn1c([C@H](NC(=O)c2ccccc2C)C(C)C)n[nH]c1=S 85400125 FINSLJSLSAUAFX-CYBMUJFWSA-N 318.446 3.396 0 40 DGAB Cn1nc(C2CC2)nc1COc1ccc(Oc2cccnc2)cc1 576160101 UVYARBGGZJCICT-UHFFFAOYSA-N 322.368 3.459 0 40 DGAB CC(C)[C@H]1C[C@H](Cc2nc(-c3ccc(O)cc3)no2)CCO1 331245249 TVNQUFFNRYSYEO-IUODEOHRSA-N 302.374 3.436 0 40 DGAB CC[C@@H](Nc1ccc2nnc(C)n2n1)c1cc(F)ccc1F 96419472 XLBGARBYKFFGSK-CYBMUJFWSA-N 303.316 3.274 0 40 DGAB C[C@H]1CN(Cc2cnc(-c3cccnc3)s2)C(C)(C)CO1 97376887 BKBRYESHZXEUPY-LBPRGKRZSA-N 303.431 3.204 0 40 DGAB Cc1nc(Cl)nn1C[C@H](O)c1ccc(Cl)cc1Cl 95116235 XHVJOBCLORLSIG-JTQLQIEISA-N 306.580 3.280 0 40 DGAB C[C@@H]1CN(C(=O)COc2ccc(C(C)(C)C)cc2)CC(C)(C)O1 96346020 OPLALGWVCQBMAO-CQSZACIVSA-N 319.445 3.389 0 40 DGAB FC(F)(F)c1nc(Cl)ccc1I 91252241 HVOXSMHTCBBHMP-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB CCC[C@]1(CO)CCN(Cc2c(Cl)cccc2C(=O)O)C1 578551889 MCJKFUQYEFKRFU-INIZCTEOSA-N 311.809 3.023 0 40 DGAB CN1C(=O)C[C@H](c2ccccc2)C12CCN(Cc1ccco1)CC2 96061428 FRVHZOKTRBPGRV-GOSISDBHSA-N 324.424 3.260 0 40 DGAB c1coc(CN2CCC3(CCN(Cc4nccs4)CC3)C2)c1 96071143 QUNFOHFTMXBPFG-UHFFFAOYSA-N 317.458 3.224 0 40 DGAB N[C@@H](c1ccc(Cl)cc1)c1nc(-c2ccccc2F)n[nH]1 95533995 KVSBNQKQNTUDDK-ZDUSSCGKSA-N 302.740 3.312 0 40 DGAB COC[C@@H](C)CC(=O)Nc1cncc(-c2c[nH]c3nccc-3c2)c1 585128790 NPHAZPBLMZLOPJ-LBPRGKRZSA-N 324.384 3.188 0 40 DGAB CC(C)Cc1ccc([C@H](C)C(=O)N2CCn3ccnc3C2)cc1 341755120 DLUSOKAUTGLESQ-HNNXBMFYSA-N 311.429 3.228 0 40 DGAB C=CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H]1C[C@H](C)CC[C@H]1C(C)C 255189892 SVCGWMBVZDVRFL-TWMKSMIVSA-N 322.493 3.280 0 40 DGAB CC(C)(C)OC(=O)N(CCCc1ccccc1)CCC(=O)O 582468926 CSUCNXPTKFBBSI-UHFFFAOYSA-N 307.390 3.331 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)Cc3cccs3)CC2)o1 38518172 WXPQYFKOQWGBRR-UHFFFAOYSA-N 319.430 3.203 0 40 DGAB COc1cccc(OCCNCCc2ccc(F)cc2F)c1 96006930 OHUHBFWHHNUQQG-UHFFFAOYSA-N 307.340 3.185 0 40 DGAB CCc1cc(CNC(=O)N[C@H](C)c2ccc(F)c(F)c2)on1 96421381 AKKKUIYBQQMUPQ-SECBINFHSA-N 309.316 3.076 0 40 DGAB CCC(CC)C(=O)N1Cc2ccccc2[C@H](c2cnn(C)c2)C1 585407619 GHJUXAJDKLGGQD-SFHVURJKSA-N 311.429 3.330 0 40 DGAB Cc1cc2nn(-c3ccc(Br)cc3)nc2cc1N 5793364 JLFDRNJZQCEADZ-UHFFFAOYSA-N 303.163 3.074 0 40 DGAB Cc1ccc(NC(=O)COc2ccc(Br)cn2)cc1 12476060 XAGZKGWIVPCXDP-UHFFFAOYSA-N 321.174 3.170 0 40 DGAB C[C@]12C[C@@H](O)[C@@]3(F)[C@@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 12657860 XLODFPCYPIRCNC-LPRQCBLUSA-N 324.436 3.022 0 40 DGAB O=C(Cc1cc(-c2ccccc2)on1)N1CCc2ccccc2C1 13573895 MJRHRKCHOCWHPF-UHFFFAOYSA-N 318.376 3.469 0 40 DGAB c1ccc2c(c1)Sc1ccccc1C2NCN1CCOCC1 19319457 CEWDJMYMNJFABZ-UHFFFAOYSA-N 312.438 3.120 0 40 DGAB CCN(CC)C(=S)SCc1nc(N)c2ccccc2n1 18270977 UUNDPMAGCKUMGX-UHFFFAOYSA-N 306.460 3.072 0 40 DGAB CN(Cc1ccccc1)[C@H](C(=O)NC1CC1)c1ccc(F)cc1 12486895 HVFKMRJDJBIMNZ-SFHVURJKSA-N 312.388 3.277 0 40 DGAB CO[C@@H](CNC(=O)c1ccc2ncsc2c1)c1ccco1 206859673 RNZOMLJUSGUMQM-ZDUSSCGKSA-N 302.355 3.007 0 40 DGAB CC[C@@H](C(=O)NCCn1cc(-c2ccco2)cn1)c1ccccc1 575614787 HRGAXAGPNXKYRN-QGZVFWFLSA-N 323.396 3.453 0 40 DGAB COc1cc2c(cc1CNCc1nc(C)cs1)O[C@@H](C)C2 30636138 FBFHMBAJWHJKEA-NSHDSACASA-N 304.415 3.073 0 40 DGAB OC1=Nc2c(ncn2-c2cccnc2)[C@@H](c2cccc(O)c2)C1 40287448 FXIVGSJUAAYJNT-CQSZACIVSA-N 306.325 3.097 0 40 DGAB CCN(C(=O)CCCn1cccn1)[C@H](C)c1cccc(OC)c1 50311944 WHRCMTXXHRXDNA-OAHLLOKOSA-N 315.417 3.282 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@@H]2c2cc(C)no2)s1 40554520 CBKKVEINZRRPNV-SNVBAGLBSA-N 321.406 3.156 0 40 DGAB C[C@H](NC(=O)c1cccnc1)c1cccc(Br)c1 32796143 UMWGUXTWJBTWBN-JTQLQIEISA-N 305.175 3.335 0 40 DGAB COc1cccc(CN(C)C(=O)NCCc2ccccc2C)c1 32863365 FNUYRXAAYPAMKJ-UHFFFAOYSA-N 312.413 3.388 0 40 DGAB COc1ccccc1OCCn1c(=O)sc2ccccc21 814278 QGLZFPCRHDLCIQ-UHFFFAOYSA-N 301.367 3.151 0 40 DGAB Cc1ccc(C(=O)N2CCC(c3nc4ccccc4o3)CC2)n1C 23534932 JAAJKPUAKVGOJK-UHFFFAOYSA-N 323.396 3.495 0 40 DGAB CCOC(=O)c1c[nH]c2ccc(Oc3ccccc3)cc2c1=O 151612 CXYVBUFCTVWXNR-UHFFFAOYSA-N 309.321 3.497 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)Nc1cc(Cl)ccc1C 533956 JOTYLVYQYKVWGU-ZDUSSCGKSA-N 312.797 3.358 0 40 DGAB COc1ccc(OCC(=O)Nc2nc3ccccc3s2)cc1 1253258 RFMANAVHWQXLBH-UHFFFAOYSA-N 314.366 3.322 0 40 DGAB Cc1ccc(-c2nnc(N(C)C(=O)c3cccnc3)s2)cc1 1356357 KNYOELDDRUCFLX-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB Cc1ccc(NC(=O)C(=O)Cc2nc3ccccc3o2)c(C)c1 1624461 KNKWXSZWEOAKKP-UHFFFAOYSA-N 308.337 3.195 0 40 DGAB O=C(NCc1ccccc1)C(=O)Nc1ccc(Cl)cc1Cl 3185856 DPFXXAOJVZWSMO-UHFFFAOYSA-N 323.179 3.248 0 40 DGAB COc1ccccc1OC(=O)/C=C/c1cccc(OC)c1OC 3279370 JRZOVAIAHRDNOE-VAWYXSNFSA-N 314.337 3.331 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(F)c2)cc1 3422913 FNGQOKYAZGETHT-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB CC[C@@H](C)OC(=O)[C@@H](C)Oc1ccc2c(C)cc(=O)oc2c1 4056190 NDZZLQBHOVIQPG-VXGBXAGGSA-N 304.342 3.210 0 40 DGAB COc1ccc(NC(=O)c2ccccc2)cc1N1CCCCC1=O 5441938 MMGGWMKXDOUPSS-UHFFFAOYSA-N 324.380 3.464 0 40 DGAB CCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@@H](CCC)C2 5469610 ZBMNQSVJUYTGBF-SNVBAGLBSA-N 308.447 3.491 0 40 DGAB O=C(Nc1cccc(Cl)c1)N[C@H](Cc1ccccc1)C(=O)O 5603639 HSXSFZLTONQYOM-CQSZACIVSA-N 318.760 3.157 0 40 DGAB CC(C)(C)NC(=O)c1nccnc1-c1nc2ccccc2s1 6661218 UNTYCFGFJCJENN-UHFFFAOYSA-N 312.398 3.282 0 40 DGAB C[C@H](Sc1ncnc2ccccc12)C(=O)NCc1ccccc1 6786842 JYHCGJOBUFMALD-ZDUSSCGKSA-N 323.421 3.427 0 40 DGAB CCOc1ccccc1NC(=O)c1nn(-c2ccccc2)nc1C 7310789 BMAAYSXXLNAACS-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=S(=O)(/C=C/c1ccccc1)NCCc1ccc(Cl)cc1 7376029 UIZHERSODSDFFB-ACCUITESSA-N 321.829 3.473 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)[C@@H](C)Sc1nnc(N)s1 7535954 ZVKPNBRUKPFETL-MRVPVSSYSA-N 318.427 3.274 0 40 DGAB CCCNc1nc(-c2cc3c4c(c2)CC(=O)N4CCC3)cs1 8295980 CBMJCIQJYJYNQC-UHFFFAOYSA-N 313.426 3.467 0 40 DGAB Cc1nc2nc(CSc3ccc(Cl)cc3)cc(O)n2n1 8656655 LZFCNFDGUMWHEU-UHFFFAOYSA-N 306.778 3.084 0 40 DGAB C[C@@]1(C(=O)Nc2ccc(F)cc2F)Cc2ccccc2C(=O)O1 9314562 KDGXLVKEFOEUJH-KRWDZBQOSA-N 317.291 3.075 0 40 DGAB CCC(CC)(CC(=O)Nc1ccc2oc(C)nc2c1)C(=O)O 10170826 FKGYCEBOCKYEND-UHFFFAOYSA-N 304.346 3.356 0 40 DGAB Cc1cc(CNC(=O)Cc2sc(=S)[nH]c2C)ccc1F 10552429 DHAXCQQIXMVIIU-UHFFFAOYSA-N 310.419 3.421 0 40 DGAB Cc1cccc(NC(=O)CNc2ccc(NC(=O)C3CC3)cc2)c1 10941274 WJIUBQVABGMXOI-UHFFFAOYSA-N 323.396 3.394 0 40 DGAB O=C1CCN(C(=O)c2ccc3noc(-c4ccccc4)c3c2)CC1 12390249 OLBAFHVHHJAIFY-UHFFFAOYSA-N 320.348 3.300 0 40 DGAB CC(C)(C)OC(=O)NC[C@H](Cc1cccc(Cl)c1)C(=O)O 12648646 GCTKONJNNXRNQF-NSHDSACASA-N 313.781 3.108 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)c(Cl)c1 12779866 RNRDFVIELSCKFC-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB COc1ccc(NC(=O)Cn2cccn2)cc1Cc1ccccc1 12785406 XUWWYMIEGBGWEX-UHFFFAOYSA-N 321.380 3.121 0 40 DGAB CC[C@H](C)NCc1cccc(Oc2nnnn2-c2ccccc2)c1 13717656 MHLTYESPCQWZLP-AWEZNQCLSA-N 323.400 3.343 0 40 DGAB COC(=O)c1ccccc1/C=C1\N=C(c2ccc(C)cc2)OC1=O 14185053 DDHZMIFABZTASJ-WJDWOHSUSA-N 321.332 3.126 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccc3nsnc3c2)cc1C 15841274 OLUBBNUDJPKYLR-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB CCC(C)(C)n1nnnc1[C@@H](c1cccs1)N1CCCCC1 20098505 CMJTYMHBPNSGDL-CQSZACIVSA-N 319.478 3.455 0 40 DGAB COc1ccc(NC(=O)c2ccco2)cc1-c1ccc(CO)o1 20139704 ZBPVIMXJHNSMAT-UHFFFAOYSA-N 313.309 3.293 0 40 DGAB COc1ccc(C(=O)Nc2ccc(Br)cc2N)cc1 20520939 QTOSQUSWKQZMQZ-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB CCOc1ccc(C(=O)NCc2ccc3c(c2)OCO3)cc1C 22250743 SYFJZEHPAPOZBK-UHFFFAOYSA-N 313.353 3.052 0 40 DGAB O=C(c1ccsc1)N1CCC[C@H]1c1nnc2n1CCCCC2 29248887 PJAUSNGDJIJPAQ-ZDUSSCGKSA-N 316.430 3.043 0 40 DGAB COC(=O)C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl 31377164 UCVKCKNZKUCYJG-IUODEOHRSA-N 321.804 3.417 0 40 DGAB O=C(N[C@@H](c1cccs1)C1CCCC1)c1ccc[n+]([O-])c1 32398292 KGKNJJDPBNUVNN-OAHLLOKOSA-N 302.399 3.043 0 40 DGAB O=C(NCc1cccnc1)NCc1ccc(Cl)cc1Cl 32841319 IYCROXTYJKKPJJ-UHFFFAOYSA-N 310.184 3.388 0 40 DGAB CC(C)(C)c1noc(CCC(=O)Nc2nc(C3CC3)cs2)n1 33167653 SWIZHOWLISDYSE-UHFFFAOYSA-N 320.418 3.272 0 40 DGAB O=C(O)c1ccc(CN2CC[C@H](c3nc4ccccc4[nH]3)C2)cc1 35446633 FTBHRAUDIDGKNY-HNNXBMFYSA-N 321.380 3.251 0 40 DGAB biogenic,in-vitro Cc1c(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cnn1C 40485253 HAKAYHRHDGXZKD-ZDUSSCGKSA-N 321.833 3.349 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC[C@@H]1Cc1cccc(F)c1 46625694 OLERVPFYSUEYTA-MRXNPFEDSA-N 316.376 3.207 0 40 DGAB Cc1ccc([C@H](C)NC(=O)CCCc2nc(C(C)C)no2)o1 46744182 DGWSRCYIHYCOQX-LBPRGKRZSA-N 305.378 3.295 0 40 DGAB Cc1nnc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)s1 49398847 OGUSZADOXXAPDM-UHFFFAOYSA-N 305.256 3.257 0 40 DGAB Cc1cc(NC(=O)CCCOc2ccccc2Cl)n(C)n1 50312521 IGZUTAHBOPITBQ-UHFFFAOYSA-N 307.781 3.180 0 40 DGAB C[C@@H](N[C@H](C(=O)NC1CC1)c1ccc(F)cc1)c1ccccc1 57574284 PQVWAGMCXKFIIG-ACJLOTCBSA-N 312.388 3.496 0 40 DGAB C[C@@]1(CCC(=O)O)C(=O)CC[C@@H]2[C@@H]3CC[C@@](C)(O)[C@@]3(C)CC[C@H]21 61895130 UYMHYRPSWIDDSO-XDSXXOEBSA-N 322.445 3.414 0 40 DGAB CCN(CCNC(=O)c1ccc2c(c1)COC2)c1ccccc1C 64488759 FIHMAANHWIGXEC-UHFFFAOYSA-N 324.424 3.282 0 40 DGAB Cc1csc(CNC(=O)NCC[C@H](C)c2ccccc2)n1 65521863 TWMHWDYVWKVADG-LBPRGKRZSA-N 303.431 3.445 0 40 DGAB O=C(NCCc1cc(Br)ccc1F)C1CCC1 65566897 VAHFOFHCPZTNJN-UHFFFAOYSA-N 300.171 3.047 0 40 DGAB CN(Cc1ccc(Cl)s1)[C@@H]1CCCN(c2cccnn2)C1 69925698 YZROJJBVHIAMED-GFCCVEGCSA-N 322.865 3.292 0 40 DGAB Cc1cc(C(=O)N2CCO[C@H]3CCC[C@@H]32)c2ccc(F)cc2n1 71831288 MROIBMSKPADZJO-IRXDYDNUSA-N 314.360 3.076 0 40 DGAB Cc1nc([C@@H](NC(=O)CSc2ccccc2C)C(C)C)n[nH]1 71916643 AQSSPXMNXBWXOI-HNNXBMFYSA-N 318.446 3.027 0 40 DGAB CCO[C@@H]1C[C@H](N(C)C(=O)c2ccnc(F)c2)C12CCCC2 71920777 VATAHSADCLJGNT-UONOGXRCSA-N 306.381 3.031 0 40 DGAB C[C@H](c1c(F)cccc1F)N1CCN(c2ccccn2)CC1 71948884 MVESJHABYSRETA-CYBMUJFWSA-N 303.356 3.243 0 40 DGAB O=C1NCCCC[C@@H]1SCc1coc(-c2cccc(F)c2)n1 78555730 QGWSJMOFMUVNFO-AWEZNQCLSA-N 320.389 3.383 0 40 DGAB Cc1cc(C)c2nc(C3CC3)cc(C(=O)Nc3nc[nH]n3)c2c1 79053953 QMFXDWPZWLMKPV-UHFFFAOYSA-N 307.357 3.099 0 40 DGAB CCC(=O)Nc1ccc([C@H](C)N[C@H](C)c2nc(CC)no2)cc1 79354829 SENGRVPLPYNSCX-NWDGAFQWSA-N 316.405 3.392 0 40 DGAB COCCn1cc(CCC(=O)Nc2ccccn2)c2ccccc21 79485980 STKBYAPGCVAFEA-UHFFFAOYSA-N 323.396 3.254 0 40 DGAB Cn1cc(CCCC(=O)NCCc2ccccn2)c2ccccc21 79502705 HTTZNJCLKSUSPV-UHFFFAOYSA-N 321.424 3.255 0 40 DGAB Cc1cncc(NC(=O)NC[C@H]2CCO[C@@H]2c2ccccc2)c1 79819928 PZYUNNPSKYHIIQ-NVXWUHKLSA-N 311.385 3.289 0 40 DGAB COc1ccc(C(=O)CCC(=O)Nc2ccsc2)cc1F 81763207 ZKXGJMAMVNFIGE-UHFFFAOYSA-N 307.346 3.497 0 40 DGAB CC(C)[C@@H](C(=O)N[C@H](C)C1CC1)n1cnc2cc(F)c(F)cc21 84409036 YYOQJXORISFUAC-HWPZZCPQSA-N 321.371 3.426 0 40 DGAB O=C(c1ccc(-n2cccc2)nc1)N1CCCc2ccccc21 84512952 AYPQHIJYGCAYNN-UHFFFAOYSA-N 303.365 3.465 0 40 DGAB CS[C@@H]1CC[C@@H](N(C)C(=O)N[C@@H]2CCc3c(O)cccc32)C1 89334686 ORSCDEGVAQMRHC-LALPHHSUSA-N 320.458 3.305 0 40 DGAB Brc1cc(CSc2cn[nH]n2)c2ncccc2c1 89807832 HTWFFEFJIBMQSG-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB CC[C@@H](NC(=O)CCCc1ccc(C)s1)c1nc(C)n[nH]1 89943709 OSTFYTOZVUIDFJ-CYBMUJFWSA-N 306.435 3.073 0 40 DGAB CC(C)c1ocnc1C(=O)OC[C@@H]1Cc2cc(F)ccc2O1 95399982 IRMDEYAWYYPHDH-LBPRGKRZSA-N 305.305 3.098 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)N1C[C@H]2CC=CC[C@@H]2C1 95963460 XGDMAFWZYCJJJD-FMKPAKJESA-N 303.377 3.408 0 40 DGAB Cc1ccc2cc(C(=O)N[C@@H](C)C[C@H](O)c3ccco3)ccc2n1 95976793 MRPCLXUKFJWUIT-GUYCJALGSA-N 324.380 3.378 0 40 DGAB Fc1ccc2c(c1)[C@H](NCCc1nnc3ccccn13)CCC2 95987745 LEUHYSMJVLRNEF-MRXNPFEDSA-N 310.376 3.078 0 40 DGAB CCS[C@H]1CC[C@H](NCc2cn(C)nc2-c2cccnc2)C1 95990118 YIZKPLWZCDNGCI-HOTGVXAUSA-N 316.474 3.246 0 40 DGAB COC[C@@H]1CC2(CCN(Cc3cccs3)CC2)CN1C(C)C 96051745 CSQOFXRGDJFVKP-INIZCTEOSA-N 322.518 3.459 0 40 DGAB CCOC[C@@H]1CN(Cc2ccc(C)s2)Cc2cn(CC)nc21 96059910 PPPCHBIVKHXJGT-HNNXBMFYSA-N 319.474 3.409 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2)C1 96122293 WREWEQAFRXHOSZ-QGZVFWFLSA-N 314.360 3.303 0 40 DGAB CCC[C@@H]1SCCN1C(=O)c1cc(OCC(F)F)ccn1 96496566 SQLRFDTVALKAQB-ZDUSSCGKSA-N 316.373 3.041 0 40 DGAB O=S1(=O)CCC[C@H]1CN[C@H](CC1CCC1)c1ccccc1 97034748 NRIZTVJGMVHWKG-DLBZAZTESA-N 307.459 3.085 0 40 DGAB Cc1c(NS(=O)(=O)Cc2ccccc2F)cccc1N(C)C 97140386 TVODTGLIHNYVDP-UHFFFAOYSA-N 322.405 3.142 0 40 DGAB Cn1ccnc1C[C@H](NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 101374844 CFQLPKFXGBVWNL-DKIMLUQUSA-N 321.424 3.032 0 40 DGAB C[C@H]1C[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]2CC[C@@]2(C)[C@H]3C[C@H](O)[C@@H]2O)CC1=O 118923393 AOBJJIQCLHDHTP-MFZNSQMPSA-N 320.473 3.176 0 40 DGAB N[C@@H]1CCCC[C@H]1N[C@@H]1CCCC[C@@H]1OCc1ccccc1 218868197 RRNLSOSWIHMGHJ-MKXGPGLRSA-N 302.462 3.374 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccncc3)N21 222650118 TZJNSLPGHMPJHY-VNQPRFMTSA-N 310.426 3.456 0 40 DGAB CC(=O)c1ccc(CCNC(=O)NCc2ccc(F)cc2)s1 225675235 FDIKDJWOVVMNAM-UHFFFAOYSA-N 320.389 3.132 0 40 DGAB O=C(c1cccc2cccnc12)N1CCCC[C@H]1c1ccn[nH]1 257259914 LAQWYGUEHHCHLN-INIZCTEOSA-N 306.369 3.325 0 40 DGAB Cc1c[nH]c([C@H]2COCCN2C(=O)c2csc(C(C)C)c2)n1 257321821 WDJLBFADCZBKKK-CYBMUJFWSA-N 319.430 3.117 0 40 DGAB CC(C)(C)c1noc([C@H]2CCCN2C(=O)c2cccs2)n1 585133761 UBQSVZZWCOANGX-SNVBAGLBSA-N 305.403 3.406 0 40 DGAB CN(C)CC1(O)CCN(C2c3ccccc3-c3ccccc32)CC1 585136339 AYUDJRQXNQLILH-UHFFFAOYSA-N 322.452 3.145 0 40 DGAB CO[C@H]1CN(C2CCOCC2)CC[C@@H]1Cc1cccc(C)c1 1615085884 WCGRDOPPEBSMFM-MJGOQNOKSA-N 303.446 3.053 0 40 DGAB Cc1nc2ccccc2n1C1CN(c2cc(C3CC3)ncn2)C1 1775974958 YPDFJHHNWKIHBS-UHFFFAOYSA-N 305.385 3.073 0 40 DGAB COCCc1ccc(OCOc2ccc(CCOC)cc2)cc1 2362803863 VSBGAVMKLXXAQZ-UHFFFAOYSA-N 316.397 3.480 0 40 DGAB COc1ccc2c(=O)c(-c3ccc(OC)c(OC)c3)coc2c1 58171 UKWLNMIPRJLYGH-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB endogenous,in-man CSc1nsc(SC)c1NC(=O)OC[C@H]1CCCO1 132807 SSUXGGWLCQCSGP-SSDOTTSWSA-N 320.461 3.314 0 40 DGAB COc1ccc2c(c1)CCN=C2Cc1ccc(OC)c(OC)c1 345720 JQRIWRGJMNBZTB-UHFFFAOYSA-N 311.381 3.300 0 40 DGAB CCCc1nc2ccccc2c(=O)n1-c1ccc(C(=O)O)cc1 487543 YGLNAHYGXYDDTD-UHFFFAOYSA-N 308.337 3.036 0 40 DGAB biogenic CC[C@H](C)Oc1ccc(C(=O)Nc2ccccc2C(N)=O)cc1 513597 LEIPCLACYZYVKP-LBPRGKRZSA-N 312.369 3.215 0 40 DGAB COc1cc([C@H]2OC[C@@]3(CO)[C@@H](C)[C@@H]2C(C)=C[C@H]3C)ccc1O 519527 JVGXICUTXHMMNN-IQCGBREGSA-N 318.413 3.299 0 40 DGAB O=C1c2cnn(-c3ccccc3)c2C[C@H]2c3ccccc3CCN12 1396842 CVXBNHFEEGQFDN-SFHVURJKSA-N 315.376 3.168 0 40 DGAB CCOC(=O)c1nnsc1N1CCC(c2ccccc2)CC1 1416840 LWLKTMWDEULAEF-UHFFFAOYSA-N 317.414 3.099 0 40 DGAB CC(=O)Nc1ccc(-c2nnc3c4ccccc4c(C)nn23)cc1 1429444 PENBGMXIEVWWEQ-UHFFFAOYSA-N 317.352 3.211 0 40 DGAB ClC(Cl)(Cl)[C@@H]1CCO[C@H]1n1nnc2ccccc21 1648748 AZWFGWXLPYOQGI-GMSGAONNSA-N 306.580 3.337 0 40 DGAB CCCC(=O)Nc1cc(C)c(NC(=O)CN(CC)CC)c(C)c1 1666060 DAURKRADMSXMFW-UHFFFAOYSA-N 319.449 3.322 0 40 DGAB CC(=O)O[C@@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 2045907 MPUXLUHLPRCBBU-HNNXBMFYSA-N 311.381 3.167 0 40 DGAB C[C@@H](c1ccccc1)[C@H]1CC(=O)N(c2cc(Cl)ccn2)C1=O 2232134 RXGOKSDHHDDTQM-SMDDNHRTSA-N 314.772 3.418 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)NCc1ccc(Cl)cc1 2763368 RLLMPDXAVUKKRM-UHFFFAOYSA-N 313.735 3.099 0 40 DGAB Cc1ccsc1C(=O)OCC(=O)Nc1ccc(F)cc1F 3317276 IIMZFDPDZFDRQB-UHFFFAOYSA-N 311.309 3.130 0 40 DGAB COc1ccc(OCC(=O)N[C@@H]2CCCc3ccccc32)cc1 3606561 PWXXHHBTGJPXRR-GOSISDBHSA-N 311.381 3.268 0 40 DGAB COC(=O)C[C@@H](NC(=O)c1ccco1)c1ccc(C(C)C)cc1 5522964 BNFNWGNGXBIKDE-OAHLLOKOSA-N 315.369 3.437 0 40 DGAB CC(C)N(C(=O)COC(=O)/C=C/c1cccc(F)c1)C(C)C 5781858 OELZDZKRWVSSOC-CMDGGOBGSA-N 307.365 3.028 0 40 DGAB Cc1cc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)no1 5793346 OQHGAJABBCWGIM-UHFFFAOYSA-N 319.430 3.012 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(F)cc1F 6987605 SJIJYDKXTDNIDA-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB CCCCNc1nc(-c2ccc3c(c2)NC(=O)CO3)cs1 7060364 KBMWJGXSYJXLQT-UHFFFAOYSA-N 303.387 3.353 0 40 DGAB O=S(=O)(NCc1cccc(Cl)c1)c1ccccc1Cl 7375294 CMABSZZVKZABJI-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB Cc1cc(Cl)ccc1OCCCC(=O)Nc1ccn(C)n1 7696811 CMISXZIZGZUMMA-UHFFFAOYSA-N 307.781 3.180 0 40 DGAB O=C(NCCc1ccccc1)[C@@H]1Cc2cc(Cl)ccc2O1 7984202 ZWSYWPGFIXTABP-INIZCTEOSA-N 301.773 3.002 0 40 DGAB O=C(NCc1ccccc1CN1CCCC1)c1ccc(F)cc1 8011565 FMZCWDYUEYLUQO-UHFFFAOYSA-N 312.388 3.352 0 40 DGAB C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)o1 8328387 DPQVVYJRAZCLNS-VUPNYRSLSA-N 310.353 3.154 0 40 DGAB O=C(OCc1nc2ccccc2o1)c1cc2ccccc2c(=O)[nH]1 8884540 LSPHDNVCYIVCMQ-UHFFFAOYSA-N 320.304 3.026 0 40 DGAB Cc1ccc(SCCNC(=O)c2ccc3[nH]cnc3c2)cc1 9888983 RNACDNPCLCKDEU-UHFFFAOYSA-N 311.410 3.393 0 40 DGAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc2c(c1)OCO2 12235361 ATDXYMGWIYOMJS-UHFFFAOYSA-N 322.320 3.000 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2ccco2)c(Cl)c1 12886229 SMIGIRVRORMEMD-UHFFFAOYSA-N 320.776 3.390 0 40 DGAB O=C1c2ccccc2[C@](O)(c2ccccn2)N1C1CCCCC1 13208229 FJNYRDGIGAVEJE-IBGZPJMESA-N 308.381 3.064 0 40 DGAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(-c2ccccc2)n1 13701267 JLPQHMYKEAEHPP-UHFFFAOYSA-N 321.336 3.162 0 40 DGAB COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@@H]1CCCCN1 13747215 JUKMAYKVHWKRKY-STQMWFEESA-N 302.201 3.392 0 40 DGAB O=C(CNC(=O)Nc1ccccc1)Nc1cc(Cl)ccc1F 14111071 LWUYWLUFHOEFIV-UHFFFAOYSA-N 321.739 3.239 0 40 DGAB CCc1ccc([C@@H](C)NS(=O)(=O)Cc2ccccc2)cc1 14219098 MPZFQXWIBCVPMW-CQSZACIVSA-N 303.427 3.430 0 40 DGAB COc1ccccc1NC(=O)CCc1ccc2c(c1)OCCO2 15589844 BSVYLLFIOIWTGN-UHFFFAOYSA-N 313.353 3.038 0 40 DGAB CC(C)(C)c1nnc(Nc2cccc(C(F)(F)F)c2)[nH]c1=O 17966905 PMCWYOVYQSWOFB-UHFFFAOYSA-N 312.295 3.225 0 40 DGAB COc1ccc([C@H](C)NC(=O)c2ccc(F)c(F)c2)cc1OC 20025670 PJNSHLFBGRZYQH-JTQLQIEISA-N 321.323 3.473 0 40 DGAB O=C(CSCc1ccccc1Cl)NCc1ccccn1 20238011 DKRSIOIIHWTFNN-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB Cn1cc(NC(=O)c2ccccc2CCc2ccccc2)cn1 24585394 DFVHQERKGZAWSX-UHFFFAOYSA-N 305.381 3.458 0 40 DGAB COC(=O)c1ccc2c(c1)CCN2C(=O)C1(c2ccccc2)CC1 25180518 CKGGIDLRVGMTIG-UHFFFAOYSA-N 321.376 3.094 0 40 DGAB COCCCC(=O)Nc1ccc(Br)c2cccnc12 27930329 AWIHVSUEUUSYBB-UHFFFAOYSA-N 323.190 3.362 0 40 DGAB CCc1nnsc1C(=O)Nc1ccc2oc(C3CC3)nc2c1 33214641 OASKXOUDIBUJPL-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB Cc1c([C@H](C)NC(=O)c2cc3c(s2)CC[C@@H](C)C3)cnn1C 36763506 QIXJYFAZUGVCIC-MNOVXSKESA-N 317.458 3.406 0 40 DGAB COc1ccc(NCc2ccc(OC)c(Br)c2)cn1 37185521 DPBQQKQEWNKJJF-UHFFFAOYSA-N 323.190 3.473 0 40 DGAB N=C(Nc1ccc(Cl)cc1)Nc1nc(=O)c2ccccc2[nH]1 40385331 PMEUZWXXEPIKQU-UHFFFAOYSA-N 313.748 3.035 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)Nc2cccc(-c3nnco3)c2)C1 40526938 OGVPWGDIHPYSBR-VXGBXAGGSA-N 300.362 3.246 0 40 DGAB CNC(=O)N(C)[C@@H](C)c1ccc(-n2cnc3ccccc32)cc1 45300055 OYYHCSJTDDAYCE-ZDUSSCGKSA-N 308.385 3.358 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N(C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)C1 45957851 GJVCUKLNXHBNEQ-ZQVVLCSBSA-N 319.445 3.147 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc23)cc1Cl 48368504 XJUANSQGTNECTL-UHFFFAOYSA-N 321.789 3.326 0 40 DGAB Cn1cc(Cl)cc1C(=O)Nc1ccc(C(=O)O)c(Cl)c1 48807066 WTEVLRHPUFHJCY-UHFFFAOYSA-N 313.140 3.282 0 40 DGAB CN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C(C1CC1)C1CC1 50682148 XJWOZBJHIZGXKC-UHFFFAOYSA-N 313.376 3.476 0 40 DGAB CCN(Cc1cccc(Cl)c1)c1ncnc2c1cnn2C 52355997 LLXWBUBSAKFULF-UHFFFAOYSA-N 301.781 3.043 0 40 DGAB O=C(Nc1nccs1)N(Cc1ccccc1)C[C@H]1CCCO1 53748738 MDDCELMSMGRRTM-CQSZACIVSA-N 317.414 3.356 0 40 DGAB CC(=O)Nc1ccc(O)c(C(=O)N[C@H](C)c2ccccc2C)c1 55106932 MDOGZMLHJZWUSW-GFCCVEGCSA-N 312.369 3.150 0 40 DGAB CNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1Cl 55339789 PUKIQMNLIZWNLC-UHFFFAOYSA-N 309.797 3.154 0 40 DGAB C[C@@H](NC(=O)Nc1cc(F)c(N(C)C)c(F)c1)c1cccnc1 56723559 RMFMKCCOKHGPRW-SNVBAGLBSA-N 320.343 3.309 0 40 DGAB CN1C(=O)CC[C@H](C(=O)NC2CCCCC2)[C@H]1c1cccs1 57355890 DADDJZGOYAUTLZ-BBRMVZONSA-N 320.458 3.107 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)OCC(F)(F)F 58140700 KCQWYGWPPAYGNO-JTQLQIEISA-N 319.327 3.304 0 40 DGAB COc1ccccc1OCCOc1ccc(-c2nnco2)cc1 65610224 HZTXLGSLQYFOBC-UHFFFAOYSA-N 312.325 3.203 0 40 DGAB COC(=O)CCCCNC(=O)c1cc(F)c(Cl)cc1Cl 68957139 HWTPMGATOXZZSD-UHFFFAOYSA-N 322.163 3.206 0 40 DGAB O=C(NCCCc1nc2c(s1)CCCC2)Nc1ccncc1 69326541 ZEPXDOQEYFUKDW-UHFFFAOYSA-N 316.430 3.171 0 40 DGAB c1ccc2c(OCCN3CCc4cncnc4C3)cccc2c1 69588248 CPQSLZURBRZION-UHFFFAOYSA-N 305.381 3.067 0 40 DGAB Cc1nc2cc(C(=O)N(C)c3cc(F)ccc3F)ccc2n1C 69660424 CPSNYCDVQPCJLZ-UHFFFAOYSA-N 315.323 3.437 0 40 DGAB O=[S@@](CCNc1ncnc2ccsc12)c1ccccc1F 69817015 NXWHBHTZNFYMNC-OAQYLSRUSA-N 321.402 3.050 0 40 DGAB CCC[C@@H](NC(=O)CC)c1nc(-c2ccc3c(c2)OCO3)c[nH]1 69895959 ZOOJBLPOEVIPHU-GFCCVEGCSA-N 315.373 3.173 0 40 DGAB Cc1cc(SC(C)(C)C)ccc1NC(=O)[C@H]1CCC(=O)N1 69921458 FIJRDGHGKKXOLO-CYBMUJFWSA-N 306.431 3.103 0 40 DGAB Cc1noc(C)c1[C@@H]1CC(O)=Nc2c1c(=O)[nH]n2C1CCCC1 71283347 KFGYFRYGCRODQT-NSHDSACASA-N 316.361 3.020 0 40 DGAB Cc1cc(F)ccc1NC(=S)Nc1cccc(C(N)=O)c1 71761161 XCIVPHYDXABYGO-UHFFFAOYSA-N 303.362 3.042 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2ccc(Cl)cc2F)c1 71866860 JYCJSCZWFHCYJQ-CYBMUJFWSA-N 321.783 3.289 0 40 DGAB Cc1nc(N2CCCCC2)ccc1CNC(=O)OC(C)(C)C 72224541 AIWNLCDNOZMPOI-UHFFFAOYSA-N 305.422 3.405 0 40 DGAB O=C(NC[C@@H](O)c1ccsc1)Nc1ccc(Cl)c(F)c1 72292603 ALYMHGKJUBVTRE-GFCCVEGCSA-N 314.769 3.396 0 40 DGAB CSC(C)(C)CNC(=O)NCc1csc(C(C)(C)C)n1 76086556 WCEDGCNVLIWFTE-UHFFFAOYSA-N 315.508 3.381 0 40 DGAB CC(C)[C@@H](CO)NC(=O)N[C@@H](c1cccnc1)C1CCCCC1 78936694 TUDYZCFYCRTHCP-IAGOWNOFSA-N 319.449 3.019 0 40 DGAB O=C(c1ccco1)N1CCC(Nc2ncc(Cl)cc2F)CC1 79294858 RVFIAELLRKHTDX-UHFFFAOYSA-N 323.755 3.184 0 40 DGAB CNC1CCC(N(C(=O)OCc2ccccc2)C2CC2)CC1 79437923 FBVFIVBMNRYTNA-UHFFFAOYSA-N 302.418 3.318 0 40 DGAB O=C(Nc1c[nH]ccc1=O)[C@@H]1C[C@H]1c1ccccc1C(F)(F)F 84502212 OMAUSDXSWSWNNH-WDEREUQCSA-N 322.286 3.136 0 40 DGAB COC(=O)[C@@H]1CCC[C@H]1C(=O)c1ccc(Br)cc1 85223526 XKJACWYQAFNKQK-VXGBXAGGSA-N 311.175 3.221 0 40 DGAB COC(=O)c1ccc(CN(C)c2cc(C(C)C)n[nH]2)cc1F 89129686 WHXRZOMWHWFTRP-UHFFFAOYSA-N 305.353 3.095 0 40 DGAB O=C(Nc1nccs1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 89262034 QOFADJJKBPMMAU-VXGBXAGGSA-N 323.805 3.448 0 40 DGAB Cc1cc(=O)[nH]cc1C(=O)Nc1ccc(Nc2ccccc2)nc1 89568403 KAGGCEXSCLDMTO-UHFFFAOYSA-N 320.352 3.074 0 40 DGAB C[C@@H]1CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1O 93343579 KNZFMMJBQABRQK-BEFAXECRSA-N 324.424 3.142 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@H]2CCSc3ccccc32)C1 95423786 GZXSMGXMEQWMOD-ZFWWWQNUSA-N 304.459 3.070 0 40 DGAB COCCCCOC(=O)Cc1ccc(Br)cc1C 96004161 YHYWKKLGRARPDD-UHFFFAOYSA-N 315.207 3.270 0 40 DGAB c1cc2n(n1)C[C@@H](COCC1CC1)CN(Cc1ccsc1)C2 96189088 DGVJBZJIDDZUKQ-INIZCTEOSA-N 317.458 3.003 0 40 DGAB c1cc(CN2CCC[C@]23CCCN(Cc2ccoc2)C3)ccn1 96214917 BKWKSEVTCGYGBF-IBGZPJMESA-N 311.429 3.305 0 40 DGAB COC(=O)c1ccc2nc(SCc3cc(C)no3)oc2c1 96409192 KZZJBSDVCCMZNJ-UHFFFAOYSA-N 304.327 3.203 0 40 DGAB CCCN(Cc1nnc(C2CC2)o1)[C@@H]1C[C@H](OCC)C1(C)C 96420074 JDOZCPLEYWKYGK-KGLIPLIRSA-N 307.438 3.363 0 40 DGAB COC(=O)c1cnc(N(C(=O)C2CCCCCC2)C2CC2)s1 96425814 ANBWGRAHQSEMGZ-UHFFFAOYSA-N 322.430 3.396 0 40 DGAB Cc1cc(N[C@@H]2C[C@H](C)N(C3CC3)C2)ccc1C(=O)NC(C)C 97050968 SQIPHGIMHYJRKT-GOEBONIOSA-N 315.461 3.170 0 40 DGAB Cc1ccc([C@@H](C)Nc2ccc(CNS(C)(=O)=O)cc2)cc1 97232173 AAZBGAISJFDVEY-CQSZACIVSA-N 318.442 3.217 0 40 DGAB CCn1nc(C)c(N[C@H](C)CC(=O)N2CCCCCC2)c1C 97232355 UWRREQXNRXBFPE-CYBMUJFWSA-N 306.454 3.113 0 40 DGAB O=C(O)C1(Nc2cc(-c3ccccc3O)no2)CCCCC1 101787957 AXXMKLVBFJBQDQ-UHFFFAOYSA-N 302.330 3.247 0 40 DGAB S=C(NCCSCc1ccco1)N[C@H]1C[C@@H]2CC[C@@H]1C2 103185133 YFTLTNFONGJKFN-BZPMIXESSA-N 310.488 3.166 0 40 DGAB O=C(OCCCCOC(=O)[C@H]1C[C@H]2C=C[C@H]1C2)[C@@H]1CC=CCC1 104810765 RIBGLNIGLMQUBT-YVSFHVDLSA-N 318.413 3.422 0 40 DGAB OC1C[C@@H]2CC[C@H](C1)N2c1ncc(C(F)(F)F)cc1Cl 107922997 HEVMOJPPAUPJKA-ULKQDVFKSA-N 306.715 3.246 0 40 DGAB CCOC(=O)[C@H](C#N)c1cc(Cl)cc(Br)c1 118249572 HRKHRNRVYYGUBJ-SNVBAGLBSA-N 302.555 3.273 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@]45O[C@H]4C(=O)CC[C@]35C)[C@@H]1CCC2=O 118920140 LIMBPOMDHZQBJH-MOZDRDNRSA-N 302.414 3.299 0 40 DGAB CN1C(=O)CN=C(c2ccc(F)cc2)c2cc(Cl)ccc21 137224311 ZGRORUMFMADTLS-UHFFFAOYSA-N 302.736 3.293 0 40 DGAB O=C(O)CCc1ccc(NC(=O)C2CCC(F)(F)CC2)cc1 179234595 LRWLXISPPRDEKC-UHFFFAOYSA-N 311.328 3.468 0 40 DGAB CCSc1ccccc1C(=O)NC[C@@](C)(O)Cc1ccco1 206614771 NXDSWYVYNOFCHX-KRWDZBQOSA-N 319.426 3.115 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@@H](C)C(=O)NC1CCCC1 223754974 IHXYDKBQGGHUOJ-HNNXBMFYSA-N 316.445 3.263 0 40 DGAB COc1ccc(-c2nnsc2C(=O)OCCC(C)C)cc1 223836171 NZMAHBRFLJXQQR-UHFFFAOYSA-N 306.387 3.417 0 40 DGAB O=C(NC1CCCCC1)c1snnc1-c1ccc(F)cc1 225777107 VEOUNTPDZSGLPV-UHFFFAOYSA-N 305.378 3.407 0 40 DGAB C[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)CSCc1ccncc1 252477108 IIEOBFKLIPMLLK-FVQBIDKESA-N 304.459 3.494 0 40 DGAB CC[C@@H]1CCCCN1c1nn(-c2ccc(C)cc2)nc1C(=O)O 256048141 RAKKHJNRIKAKRA-CYBMUJFWSA-N 314.389 3.043 0 40 DGAB CNc1cc([C@@H]2CCCN2C(=O)/C=C/c2ccccc2)nc(C)n1 257300260 RTQXVCFPVYWYNN-DVQDXYAYSA-N 322.412 3.204 0 40 DGAB O=C(NC1(c2cccs2)CCOCC1)c1ccc(F)c(F)c1 390827656 IOLCJEYKJLQSSM-UHFFFAOYSA-N 323.364 3.462 0 40 DGAB COc1ccc2c(c1)CCCN(C(=O)c1ncoc1C1CC1)C2 563511606 GVGJFPXQCLFNFM-UHFFFAOYSA-N 312.369 3.149 0 40 DGAB CC(C)c1nnc(N2CCC[C@H](N(C)C(=O)C(C)(C)C)C2)s1 2087131091 RXCSLDYHBYOQMB-LBPRGKRZSA-N 324.494 3.135 0 40 DGAB O=C(NCc1ccccc1)O[C@H]1CCN2Cc3ccccc3N=C12 485625 QCYQMQAFDHSMPH-KRWDZBQOSA-N 321.380 3.231 0 40 DGAB biogenic Clc1ccc2[nH]c3c(NC[C@@H]4CCCO4)ncnc3c2c1 543378 SLQVDLGEKFUAAU-JTQLQIEISA-N 302.765 3.355 0 40 DGAB Cc1ccnc(NC(=O)C(C)(C)Oc2ccc(Cl)cc2)n1 815608 ATVPWVPQSCKEDQ-UHFFFAOYSA-N 305.765 3.235 0 40 DGAB Cc1ccc(-c2cc(C(=O)N3CCOCC3)c3ccccc3n2)o1 998371 ZBLKLEQKESHSHF-UHFFFAOYSA-N 322.364 3.276 0 40 DGAB CCOC(=O)c1nnc(-c2ccccc2)c(-c2ccccc2)n1 1556700 HWTIHECXBTUCGU-UHFFFAOYSA-N 305.337 3.382 0 40 DGAB CCCOc1ccc(C(=O)c2nc3c(n2O)CCCC3)cc1 2327518 UQRVSWQAJHQMIR-UHFFFAOYSA-N 300.358 3.019 0 40 DGAB CCCCn1nc(C(=O)NC(CC)CC)c2ccccc2c1=O 2644770 JVXFXPJRHXGCQF-UHFFFAOYSA-N 315.417 3.115 0 40 DGAB O=C1c2ccncc2C(=O)N1CNc1ccc(Cl)c(Cl)c1 2716120 GYTBPAHNHLYZEK-UHFFFAOYSA-N 322.151 3.054 0 40 DGAB Cc1ccc(C(=O)NCCCCNC(=O)c2ccc(C)cc2)cc1 3124653 DSZOHRGDLMHNJZ-UHFFFAOYSA-N 324.424 3.243 0 40 DGAB CC(=O)Oc1ccc(C(=O)COc2ccc(F)cc2)c(O)c1C 3211834 GXVWRNNJOQKXNP-UHFFFAOYSA-N 318.300 3.027 0 40 DGAB CC(C)(C)OC(=O)N1N=C2CCCCC[C@H]2[C@@]1(O)C(F)(F)F 4503224 KPWCHMCWGLGPEW-NOZJJQNGSA-N 322.327 3.424 0 40 DGAB C[C@H]1C[C@H](C)CN(CCC(=O)Nc2ccc3c(c2)CCC3)C1 4743713 ICPJEETURVEFIB-GJZGRUSLSA-N 300.446 3.482 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)c1ccco1)CCC2)C1CC1 5136156 PFHDBHVTPGTVDA-UHFFFAOYSA-N 310.353 3.221 0 40 DGAB CCOc1cc(C(=O)N(CC)CC)cc(OCC)c1OCC 5470815 LUFRVWODCCAPGL-UHFFFAOYSA-N 309.406 3.365 0 40 DGAB O=C(Nc1ccc(Cl)cc1F)[C@@H]1COc2ccccc2O1 5688134 YQJPRGRYOMZQAF-AWEZNQCLSA-N 307.708 3.258 0 40 DGAB Cc1ccc(NC(=O)[C@@H](NC(=O)c2cccs2)C(C)C)cc1 7127497 MXGMIGWQPDSPIS-HNNXBMFYSA-N 316.426 3.450 0 40 DGAB Cc1ccc([C@@H](CC(=O)O)NC(=O)CCc2cccs2)cc1 8312541 LUKCBOLQSZTQKB-OAHLLOKOSA-N 317.410 3.321 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1ccoc1 8776368 WWTWTSSIMNXGBN-UHFFFAOYSA-N 314.322 3.384 0 40 DGAB COc1ccccc1OCC(=O)N[C@H](c1ccccc1)C1CC1 11207281 KEATYXJXVCLZOS-LJQANCHMSA-N 311.381 3.342 0 40 DGAB COc1ccc(NC(=O)c2nc(-c3ccccc3)oc2C)cn1 12543516 UNAQCBJOLJUTBB-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB O=C(NC[C@H]1CCCO1)c1ccccc1OCc1ccccc1 12904667 MHJSJSZZGMIBMU-MRXNPFEDSA-N 311.381 3.174 0 40 DGAB CCCN1C(=O)N[C@H](c2cccc(Cl)c2)C(C(=O)OC)=C1C 13020760 YOGMMWOUKWIANI-CQSZACIVSA-N 322.792 3.263 0 40 DGAB Cc1ccc([C@@H]2C[C@@H](c3ccc(F)cc3)Nc3nc(N)nn32)cc1 13131337 ZYCRFNBVBFCKCD-HOTGVXAUSA-N 323.375 3.454 0 40 DGAB O=C(COc1ccccc1)Nc1cc(C(=O)O)ccc1Cl 13167575 HWIDLUSLCGZYBY-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB COc1cccc(CCNCc2cc3cccc(C)c3[nH]c2=O)c1 13998787 SKZYRNZYYUYWMQ-UHFFFAOYSA-N 322.408 3.177 0 40 DGAB C[C@@H]1CN(C(=O)c2ccc(-c3ccc(Cl)cc3)o2)CCO1 14084606 KIWWUJKSYIEMAR-LLVKDONJSA-N 305.761 3.461 0 40 DGAB CC(=O)Oc1ccc(C2=Cc3ccc(OC(C)=O)cc3OC2)cc1 14982561 YMSTXUZPCGRBHY-UHFFFAOYSA-N 324.332 3.470 0 40 DGAB CCOC(=O)Cc1csc(-c2nc3ccccc3nc2C)n1 16682895 TUKDUQWSYMXTEK-UHFFFAOYSA-N 313.382 3.167 0 40 DGAB Cc1cc([C@H](O)CN2CCN(c3ccccc3)CC2)c(C)s1 19567910 MSIYAKUMDQBDDZ-GOSISDBHSA-N 316.470 3.221 0 40 DGAB O=C(C1CCCCC1)N1CCN(C/C=C/c2ccccc2)CC1 19680735 LMAFHJWDGCQNRE-JXMROGBWSA-N 312.457 3.424 0 40 DGAB CC(C)c1ccccc1NC(=O)CNC(=O)c1cccc(F)c1 20292780 APIAUOMKZRHILY-UHFFFAOYSA-N 314.360 3.318 0 40 DGAB O=C(NC(=S)Nc1cc(Cl)ccc1O)c1cccc(F)c1 21596225 DLNDBOVMZQNIEL-UHFFFAOYSA-N 324.764 3.312 0 40 DGAB CC[C@@H](C(=O)NCc1ccc2c(c1)OCCO2)c1ccccc1 22618296 JNJKMMWIUCJEBP-MRXNPFEDSA-N 311.381 3.268 0 40 DGAB CC(=O)c1csc(NC(=O)c2ccc3ncsc3c2)n1 24707485 SXYSVENGTQEEOQ-UHFFFAOYSA-N 303.368 3.208 0 40 DGAB CSc1ccc(Cl)c(C(=O)N(C)Cc2cn(C)nc2C)c1 28218743 GWWFEPYTEGFNKS-UHFFFAOYSA-N 323.849 3.376 0 40 DGAB C[C@H](CNC(=O)c1ccc(Cl)o1)N1CCc2sccc2C1 32429292 VCOVDWJKGYZKJN-SNVBAGLBSA-N 324.833 3.171 0 40 DGAB Cc1ccc(CSCCC(=O)NC(=O)NC2CCCC2)cc1 32778659 IKJRBIGVHYBACQ-UHFFFAOYSA-N 320.458 3.387 0 40 DGAB CN1CCN(c2ncnc3scc(-c4cccs4)c23)CC1 36646086 DABJYWFPDMNIAM-UHFFFAOYSA-N 316.455 3.172 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1ccc(-c2cc[nH]n2)cc1 38490059 DVXNSDIIXYEHGZ-UHFFFAOYSA-N 318.336 3.399 0 40 DGAB CN(C(=O)CCc1nc(Cc2ccccc2)no1)c1ccccc1 40107393 KFQPXYDNIWLJJC-UHFFFAOYSA-N 321.380 3.256 0 40 DGAB CC(=O)c1ccc(N2CCC(c3nnc4ccccn34)CC2)cc1 44933801 XDUSOLKUKYBDHG-UHFFFAOYSA-N 320.396 3.316 0 40 DGAB O=C(c1ccc(-n2cncn2)cc1)N1CCC[C@H]1c1ccsc1 48332457 OISUDKCSACPFRN-INIZCTEOSA-N 324.409 3.306 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(CNC(=O)C2CCCC2)cc1 48342429 SVFNLLXCKXWNCP-CYBMUJFWSA-N 302.418 3.021 0 40 DGAB CCn1cc(NC(=O)Nc2ccc(N3CCCC3)cc2C)cn1 48351084 PYZICQZTLTWLLV-UHFFFAOYSA-N 313.405 3.456 0 40 DGAB C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 49275882 YADXNSZRILNMRB-KOLCDFICSA-N 301.745 3.002 0 40 DGAB C[C@@H](COc1ccc(F)cc1)NC(=O)N(C)Cc1ccco1 50155211 DFSVAHKFKOPKTI-LBPRGKRZSA-N 306.337 3.028 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2cc(C)cc(C)c2)cc1F 55676103 WPGFEUWKYOEBLU-UHFFFAOYSA-N 323.389 3.276 0 40 DGAB CC(C)[C@H](NC(=O)c1ccncc1)c1nc(-c2ccccc2)no1 58219001 KSUYLNDOEMKFRP-HNNXBMFYSA-N 322.368 3.259 0 40 DGAB COc1c(CNCc2oc3ccc(F)cc3c2C)c(C)nn1C 58333156 BJRYDQAFFHKTGD-UHFFFAOYSA-N 317.364 3.221 0 40 DGAB COc1ccc(-c2cc(C(=O)O)c3c(C4CC4)noc3n2)cc1 62710600 OCKVIMJLRJRSRR-UHFFFAOYSA-N 310.309 3.474 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@@H]2C[C@H]2c2cccc(F)c2)cs1 63352390 CDXCARYWZHNEIO-LSDHHAIUSA-N 319.405 3.288 0 40 DGAB Cc1ccc(NC(=O)Cc2nc(-c3ccccc3)n[nH]2)c(C)c1 65232541 ZOXSDRDMJXUQKL-UHFFFAOYSA-N 306.369 3.270 0 40 DGAB CCN(C(=O)Nc1ccccc1CC(=O)N(C)C)[C@H](C)C(C)C 65416618 FKEWBAHGNUJSMN-CQSZACIVSA-N 319.449 3.216 0 40 DGAB CN(C)C(=O)c1ccc2c(c1)CCCN2CCOc1ccccc1 65498075 PCVVYIFNPLWQPC-UHFFFAOYSA-N 324.424 3.220 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)n1C 65498260 LDFUVSXXEXYTRM-INIZCTEOSA-N 318.804 3.201 0 40 DGAB CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(OC(F)F)cc1 65550290 FPPJAVCEZRUWMX-CYBMUJFWSA-N 314.332 3.321 0 40 DGAB CC(C)CN1CCC(NC(=O)[C@H]2C[C@H]2c2ccccc2)CC1 65593534 UNORZCVHDDWZAZ-ROUUACIJSA-N 300.446 3.027 0 40 DGAB CCc1nnsc1C(=O)Nc1cc(F)cc(N2CCCC2)c1 65623016 RHQPAJQQSFQXIG-UHFFFAOYSA-N 320.393 3.092 0 40 DGAB CC(C)c1nc(CCNC(=O)N[C@H](C)c2ccncc2)cs1 69350193 VIHVRSHFZCAHJK-GFCCVEGCSA-N 318.446 3.264 0 40 DGAB CC[C@@H](C)n1ncc2c(C(=O)Nc3ccncc3)cc(C)nc21 69386085 JBPXDGFKMOMINY-GFCCVEGCSA-N 309.373 3.358 0 40 DGAB CC(C)CNC(=O)C[S@](=O)Cc1ccc(Cl)c(Cl)c1 69589776 PYUWSCGBDMAJPR-IBGZPJMESA-N 322.257 3.014 0 40 DGAB Cc1cc([C@H](C)C(=O)N2CCC[C@@H](n3ccnc3C)C2)c(C)o1 69699797 IMFQAPFFHZQQOU-XJKSGUPXSA-N 315.417 3.369 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1cccc(C(F)(F)F)n1 69778398 SCMKGJLSPPWFEE-SSDOTTSWSA-N 313.279 3.447 0 40 DGAB c1csc(-c2nc(CN3CCC[C@H]3Cn3cccn3)co2)c1 69926584 XIRSDXMUAUZWAO-AWEZNQCLSA-N 314.414 3.264 0 40 DGAB CN(C)Cc1cccc(CNCc2c[nH]nc2C(C)(C)C)c1 71819542 LRXRSEXVYRBQIM-UHFFFAOYSA-N 300.450 3.059 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@H]2c2ccsc2)n1 71828085 QZMGESIDFBTNFS-ZFWWWQNUSA-N 303.431 3.486 0 40 DGAB NC(=O)CCCCSc1nnc(-c2ccccc2Cl)o1 71886815 DGNIHFJFLYSBMP-UHFFFAOYSA-N 311.794 3.138 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)Nc1cccc([S@](C)=O)c1 71910918 SWNCRMNTFYCSNY-WIUDPPPLSA-N 306.387 3.242 0 40 DGAB CC(C)CN1CCCC[C@@H]1c1ccc(N2CCN(C)CC2)nc1 72216544 LAWOIOBXQBVBHF-GOSISDBHSA-N 316.493 3.016 0 40 DGAB CC(C)(CCCNC(=O)CCc1ccccc1F)C1OCCO1 74089398 QNNMACSLCMTSIJ-UHFFFAOYSA-N 323.408 3.054 0 40 DGAB CCOc1ccc(S(=O)(=O)N2CCCCCC2)cc1Cl 74935388 ISIPZTJQKGIEJF-UHFFFAOYSA-N 317.838 3.303 0 40 DGAB O=C(Nc1cccnc1)N1CCC[C@H]1C[C@@H](O)c1ccccc1 75542632 YQNWVWVDGAMRSP-DLBZAZTESA-N 311.385 3.202 0 40 DGAB O=C(C1CCOCC1)N(Cc1ccc(F)cc1)CC(F)(F)F 76041236 VWAMEJKFTCEHGZ-UHFFFAOYSA-N 319.298 3.143 0 40 DGAB Cc1cc([C@](C)(O)CNC(=O)Nc2c(F)cccc2F)c(C)o1 76068720 BSSLPEIAEIZDHE-MRXNPFEDSA-N 324.327 3.204 0 40 DGAB CC[C@H]1CN([C@@H](C)c2nc(-c3ccc(F)c(C)c3)no2)CCO1 78455551 IKWLLOLPZZVLNA-JSGCOSHPSA-N 319.380 3.356 0 40 DGAB COCCn1nc(C)c(NC(=O)c2ccc(Cl)s2)c1C 79659030 BXZVENQUHJEOSB-UHFFFAOYSA-N 313.810 3.114 0 40 DGAB CC(=O)c1ccccc1C(=O)N1CC[C@H](OCCC(C)C)C1 83002734 PKAMZJMHDZEZOW-HNNXBMFYSA-N 303.402 3.166 0 40 DGAB CCOc1cc(-c2nc(-c3cccc(OC)c3)n[nH]2)ccc1O 85384596 VNZRQMOOHBYDRN-UHFFFAOYSA-N 311.341 3.252 0 40 DGAB COc1c(C(=O)O)c(OC)c2ccccc2c1Br 85392573 ANYWYNULDAIBKF-UHFFFAOYSA-N 311.131 3.318 0 40 DGAB C[C@H](NCCc1coc(-c2ccc(F)cc2)n1)C1CCOCC1 91739763 UYSGYODHLNYNDX-ZDUSSCGKSA-N 318.392 3.428 0 40 DGAB Cc1oc(CN(C)C(=O)Cc2ccc(Cl)cc2)cc1C(=O)O 95425076 OJYCANHNTBSSRD-UHFFFAOYSA-N 321.760 3.141 0 40 DGAB O=C(N[C@H](CCO)c1cccs1)c1cccc2cc[nH]c12 95445769 DUASOEXBRZMLGO-CYBMUJFWSA-N 300.383 3.083 0 40 DGAB COc1ccc(CCc2nc3nccc(-c4ccco4)n3n2)cc1 95478916 OQKZCKKPMRSJSG-UHFFFAOYSA-N 320.352 3.178 0 40 DGAB CC(C)c1ccc(N(C)C(=O)[C@@H](C)NC(=O)C(C)(C)C)cc1 95966967 KXVWBAKAMSXDLI-CYBMUJFWSA-N 304.434 3.324 0 40 DGAB Cc1ccc(CN2C[C@@H]3CN(Cc4cccnc4)C[C@@H]3C2)s1 96053732 JYSXYYBSSDLCQK-CALCHBBNSA-N 313.470 3.015 0 40 DGAB c1ccc(CN2CC[C@]3(C[C@@H](OCc4ccncc4)CO3)C2)cc1 96107800 KVFIAGLMNOHSFL-UXHICEINSA-N 324.424 3.032 0 40 DGAB CO[C@@H]1CCN(C(=O)c2cc(C)ccn2)C[C@@H]1Cc1ccccc1 96111156 IQYBVFCDDCZXIV-PKOBYXMFSA-N 324.424 3.110 0 40 DGAB CC(C)=CCSc1ccccc1C(=O)NCc1nccn1C 96420767 WSTZQVSTRVZJEU-UHFFFAOYSA-N 315.442 3.408 0 40 DGAB CCCCOc1ccc(-c2nnc(Cn3cc(C)cn3)o2)cc1 96428966 XNEOAXCZPXRHQV-UHFFFAOYSA-N 312.373 3.469 0 40 DGAB CCO[C@@H]1C[C@@H](NC(=O)c2scnc2Cl)C12CCCC2 96432474 XMQQQTGQHGWUEH-NXEZZACHSA-N 314.838 3.264 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)Nc2ccsc2)C1 96436601 CZCYJQHTRQVWPI-WDEREUQCSA-N 310.419 3.380 0 40 DGAB COC[C@@H](NC(=O)Nc1cc(OC)ccc1C)c1ccco1 96468773 TUGVKZACIFPVLM-CQSZACIVSA-N 304.346 3.106 0 40 DGAB O=C(N[C@H](CC(F)(F)F)c1ccc(Cl)cc1)[C@H]1CCOC1 96486552 JNKSMMFNVVINLH-CMPLNLGQSA-N 321.726 3.486 0 40 DGAB CN(CC1CCOCC1)C(=O)N[C@@H](CC(C)(C)C)C(F)(F)F 96497070 IIJRIDWGDMSKTM-LBPRGKRZSA-N 324.387 3.422 0 40 DGAB CCS(=O)(=O)c1cc[nH]c1-c1ccc(Br)cc1 96532698 OWPWOURRCVNUHO-UHFFFAOYSA-N 314.204 3.238 0 40 DGAB C[C@H](CCc1cccc(F)c1)N1CCC(n2cncn2)CC1 97370752 FLBRYBWRULXFPQ-CQSZACIVSA-N 302.397 3.075 0 40 DGAB CCc1cccc(CC)c1NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2 102123657 CCQNPBQYYKQQBK-JONQDZQNSA-N 313.397 3.273 0 40 DGAB COc1ccccc1CNCCc1cc(F)cc2c1OCOC2 105438742 CKHDYSFPZCKXFJ-UHFFFAOYSA-N 317.360 3.033 0 40 DGAB O=C(COc1ccc(F)cc1)N1CCC[C@H](c2nccs2)C1 171647502 CJOGPEZWCAFLCX-LBPRGKRZSA-N 320.389 3.067 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)NCCC1CCN(C)CC1 176329841 PXSXWMIYKAZZMF-GOSISDBHSA-N 318.461 3.001 0 40 DGAB Cc1c(NC(=O)N(CCO)C(C)C)cccc1C(F)(F)F 186629222 DXRPCRAMPBBFFB-UHFFFAOYSA-N 304.312 3.248 0 40 DGAB COC(=O)c1cccc(-c2noc([C@@H]3C[C@H]3c3ccco3)n2)c1 195531192 VOOFGSNIJAAEEW-CHWSQXEVSA-N 310.309 3.387 0 40 DGAB CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1sccc1C 222768455 SFIIYTIJKPLXJI-QWHCGFSZSA-N 303.456 3.444 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCOc2ccccc2C)c1 224133673 HFLBOBXVMWCOIT-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB COc1cccc(C(=O)NCCCc2cccc(C)c2)c1OC 225047587 HXGIKYZJHUVCJD-UHFFFAOYSA-N 313.397 3.375 0 40 DGAB COc1ccc(Cn2c(CCC(=O)O)nc3ccccc32)cc1 225297856 ZNUYXBBTDQWEGE-UHFFFAOYSA-N 310.353 3.110 0 40 DGAB NNc1nc2ccc(NC(=O)c3ccc(Cl)cc3)cc2s1 226310273 KNSUBVNSWJXIQI-UHFFFAOYSA-N 318.789 3.488 0 40 DGAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCNC2)n1 257265208 LXSSCXSZPXLILS-GFCCVEGCSA-N 303.435 3.069 0 40 DGAB CC(=O)N1CC[C@H](Cc2ccc(-c3nc(C)c(C)s3)nc2)C1 257333170 YALZCMALYDUITA-OAHLLOKOSA-N 315.442 3.233 0 40 DGAB COC(=O)CCCCC(=O)Nc1cc(-c2ccccc2)on1 282502905 OPWRRKHQYSNYIY-UHFFFAOYSA-N 302.330 3.014 0 40 DGAB O=Cc1cn(Cc2cc(F)cc(F)c2)c2ccc(F)cc2c1=O 390822679 GTIRHLQWKSRVLI-UHFFFAOYSA-N 317.266 3.280 0 40 DGAB Cc1cc([C@@H]2CCCN2Cc2ccc(C(=O)O)cc2F)on1 563278752 VHSANTMUFKUSPJ-AWEZNQCLSA-N 304.321 3.157 0 40 DGAB CO[C@H]1CCN(Cc2cscn2)C[C@H]1Cc1ccccc1F 643913883 KDFYALJASWHEHR-PBHICJAKSA-N 320.433 3.362 0 40 DGAB Cc1cc(OCC2CCN(C(=O)NC3CCCC3)CC2)ccn1 1775995723 GHABRUPEPBXXDK-UHFFFAOYSA-N 317.433 3.133 0 40 DGAB Cc1cnccc1O[C@@H]1CCN(c2ncccc2C(F)(F)F)C1 1889098182 VBDPFAKBSQLGBR-GFCCVEGCSA-N 323.318 3.462 0 40 DGAB OC(c1cccs1)(c1cccs1)[C@H]1CN2CCC1CC2 38073 CTYCSOSPTSAGHP-ZDUSSCGKSA-N 305.468 3.387 0 40 DGAB in-vitro CCc1nc2ccccc2n1C[C@H](O)COc1ccc(F)cc1 98710 FZGKKKSKEPXSCB-AWEZNQCLSA-N 314.360 3.178 0 40 DGAB CC[C@@](C)(C(=O)NC1CCCCC1)N(Cc1ccco1)C(C)=O 246485 JSSVAEGJONPBFW-SFHVURJKSA-N 320.433 3.246 0 40 DGAB CC(C)C[C@H](NC(=O)C1CCCCC1)C(=O)NCc1ccco1 248260 SCVMAVKSNVTPBD-INIZCTEOSA-N 320.433 3.007 0 40 DGAB O=C1NC(=S)N/C1=C/c1ccc(-c2ccc(F)c(Cl)c2)o1 439656 GDMRICMXWSWVHX-IZZDOVSWSA-N 322.748 3.084 0 40 DGAB COc1ccc(/C=C/C(=O)NCCc2ccccc2)cc1OC 496624 OCBVXILUEJJGQP-PKNBQFBNSA-N 311.381 3.076 0 40 DGAB biogenic,in-vitro O=S(=O)(Oc1ccc(Br)cc1)c1ccccc1 1599345 ZLLOEONYSHSCLI-UHFFFAOYSA-N 313.172 3.217 0 40 DGAB COc1ccc(OC[C@@H](O)CNC2CCCC2)c(C(C)(C)C)c1 2624245 LGKZHIZKWDAFRJ-HNNXBMFYSA-N 321.461 3.265 0 40 DGAB COCCNC(=O)c1cc(-c2ccc(F)cc2)nc2ccccc12 3215671 AGPRORZDTPRTBM-UHFFFAOYSA-N 324.355 3.417 0 40 DGAB O=C(CSc1ccc2ccccc2c1)NC[C@H]1CCCO1 3382589 TVJCURSEPNGUHI-OAHLLOKOSA-N 301.411 3.227 0 40 DGAB Cc1cc(=O)[nH]c(SCc2ccc(C(F)(F)F)cc2)n1 4023750 SVXGBNMAMXEJNF-UHFFFAOYSA-N 300.305 3.389 0 40 DGAB CCn1nc(C)c(N2C(=O)c3cccc4cccc(c34)C2=O)c1C 5508778 KRMREIPFOLLGIH-UHFFFAOYSA-N 319.364 3.474 0 40 DGAB Cc1cccc(NS(=O)(=O)c2cc(C(=O)O)cc(C)c2C)c1 5582740 RMWNZLUJGMUPHA-UHFFFAOYSA-N 319.382 3.111 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C(C)C)o2)cc1F 6301524 GFBFCBICJJHLKK-UHFFFAOYSA-N 309.366 3.371 0 40 DGAB CC[C@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6510162 DUPQHMGAAGKHAK-AWEZNQCLSA-N 320.396 3.463 0 40 DGAB CCSc1nc(O)c2cnn(-c3ccc(C)c(C)c3)c2n1 6529273 QGIZUSQYMYLDQH-UHFFFAOYSA-N 300.387 3.250 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)c(C)c1 7212950 KOVKDAZLDGZBNH-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB C[C@H](O)CNc1ncnc2scc(-c3ccc(F)cc3)c12 8177632 KZIOABWZADQIBS-VIFPVBQESA-N 303.362 3.290 0 40 DGAB Cc1ccc(C)c(NC(=O)CCNC(=O)Nc2ccccc2)c1 8855953 XAENJNABIXEIBG-UHFFFAOYSA-N 311.385 3.454 0 40 DGAB CCCC(=O)Nc1nnc(/C=C/c2ccc(OC)cc2)s1 9349952 NUYKPVSRWYJJKC-JXMROGBWSA-N 303.387 3.456 0 40 DGAB CCCCc1nc2ccccc2n1CC(=O)Nc1nccs1 9367012 TXLJXWRSYFZWCJ-UHFFFAOYSA-N 314.414 3.474 0 40 DGAB CC(C)c1n[nH]c(SCC(=O)N2CC[C@@H]3CCCC[C@H]3C2)n1 9495375 MPEHTEQIPNQMMH-STQMWFEESA-N 322.478 3.059 0 40 DGAB C[C@H](C(=O)Nc1cccc(F)c1)N1CCc2sccc2C1 10767361 BTMSCLORTBIBLI-LLVKDONJSA-N 304.390 3.273 0 40 DGAB O=C(Nc1ccc(SCc2cccnc2)nn1)c1ccccc1 11696661 WQHUEMWPOQGEGD-UHFFFAOYSA-N 322.393 3.416 0 40 DGAB O=C(NC1CCCCC1)c1nn(-c2ccccc2)c2c1CCC2 12947177 FKDOGDXNBYOYQX-UHFFFAOYSA-N 309.413 3.424 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cc2ccccc2o1)c1ccccc1 13224444 WYHUVOXUTOXZHS-CQSZACIVSA-N 309.321 3.379 0 40 DGAB O=C(Nc1ccc2c(c1)CCC2)c1cccnc1N1CCCC1 14109280 BWIMOIOLNLZZQT-UHFFFAOYSA-N 307.397 3.423 0 40 DGAB Cc1ccc(CNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)cc1 15721774 FYOBDRGCRLGQTP-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB O=C(Nc1cccc2ncccc12)c1ccc2nccnc2c1 15979572 DTRKQYPVIKJXBR-UHFFFAOYSA-N 300.321 3.430 0 40 DGAB COc1ccc(COC(=S)NC2CCCCC2)cc1OC 16227467 YDGRSPRGWQWTER-UHFFFAOYSA-N 309.431 3.428 0 40 DGAB CCCCCNC(=O)c1ccc(NC(=O)c2ccco2)cc1 17322541 NFUJTHCWFDSOJZ-UHFFFAOYSA-N 300.358 3.452 0 40 DGAB O=C(C1CCC1)N1CCc2onc(Nc3cccc(F)c3)c2C1 19294026 NAWZILVNWCXGTN-UHFFFAOYSA-N 315.348 3.242 0 40 DGAB CCc1ccccc1O[C@@H](C)C(=O)NCc1ccc(F)cc1 20034691 UHYAWEYVLSWZPK-ZDUSSCGKSA-N 301.361 3.472 0 40 DGAB Cc1cccc(NC(=O)c2cn(C)c3ccc(F)cc3c2=O)c1 22236211 RCWHANSNVVXQKE-UHFFFAOYSA-N 310.328 3.238 0 40 DGAB O=C(c1cccc(F)c1)N1CCC([C@@H](O)c2ccccc2)CC1 23384227 SQZSOEWWPYDELV-SFHVURJKSA-N 313.372 3.412 0 40 DGAB O=C(COc1cccc(F)c1)Nc1ccn(-c2ccccc2)n1 24981297 FPHMWNRKUYVLOY-UHFFFAOYSA-N 311.316 3.029 0 40 DGAB Cc1cc(CN2CCC[C@H]2c2ccc3c(c2)OCCCO3)no1 27055135 MZOGJTMPPQONRQ-INIZCTEOSA-N 314.385 3.481 0 40 DGAB O=C1c2ccccc2CC[C@@H]1Sc1noc(-c2ccncc2)n1 28527096 JWIZVOQQAULDNP-AWEZNQCLSA-N 323.377 3.421 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1F)c1ccc2c(c1)OCO2 32609806 RLKUFVLKWBNQAH-VIFPVBQESA-N 305.280 3.185 0 40 DGAB CCC[C@H]1NC(=S)N(c2ccccc2)C(C)=C1C(=O)OCC 33653227 MUZGLAQIAYQIJQ-CQSZACIVSA-N 318.442 3.387 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)NC[C@H]1CCCc2ccccc21 34425416 ZGPTXTVSKAWTAG-MRXNPFEDSA-N 323.392 3.194 0 40 DGAB Cn1nc(-c2cccs2)cc1C(=O)N1CCc2ccccc2C1 35293641 HLSJCSPLGRROHB-UHFFFAOYSA-N 323.421 3.347 0 40 DGAB Cc1nc(NCCC(C)C)sc1C(=O)NCc1ccncc1 36359891 YZJAPLNEYFGQAL-UHFFFAOYSA-N 318.446 3.235 0 40 DGAB CCn1cc(-c2nnc(SCc3ccc(F)cc3)n2C)cn1 36631386 KHLGHHNIZADFFM-UHFFFAOYSA-N 317.393 3.130 0 40 DGAB CC[C@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1 40535493 XHFOLSHCBWLFLM-ZDUSSCGKSA-N 302.399 3.061 0 40 DGAB O=C(NC[C@@H]1CCOC1)c1cccc(OCc2ccccc2)c1 41379617 LNZROFOCUWMTOJ-INIZCTEOSA-N 311.381 3.032 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)c2cnn(C(C)(C)C)c2C)no1 44474522 NMNSMBHBEXEQGQ-OAHLLOKOSA-N 316.405 3.220 0 40 DGAB CCc1ccc(CNC(=O)NC[C@H](c2ccco2)N(C)C)s1 47792535 SVULNYSTPMUYLS-CQSZACIVSA-N 321.446 3.006 0 40 DGAB COc1ccc(NC(=O)N2CCc3ccccc3C2)cc1F 48450849 UYPIZUHOLIXGCT-UHFFFAOYSA-N 300.333 3.425 0 40 DGAB O=C(NC[C@H](O)c1ccccc1C(F)(F)F)c1cccs1 58222847 ASZAHLVRGAFLRZ-NSHDSACASA-N 315.316 3.230 0 40 DGAB c1coc(CN(Cc2nc3ncccc3[nH]2)Cc2ccco2)c1 58266912 BRONUWSAOVCHPV-UHFFFAOYSA-N 308.341 3.346 0 40 DGAB CC[C@@H](NC(=O)c1cc(C(C)=O)cn1C)c1ccc(OC)cc1 58353990 LTGRTESUSGWCSY-MRXNPFEDSA-N 314.385 3.117 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c(C)c1 59227396 VCMZCXWTZLLVCA-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB CCOc1ccc2cc(C(=O)N(C)CCc3ccncc3)[nH]c2c1 65577694 PAXKRERWYQCTGI-UHFFFAOYSA-N 323.396 3.276 0 40 DGAB CN(C)CCC[C@]1(O)c2ccccc2C=Cc2ccc(O)cc21 65742942 LVSOPRLYYPOIMB-FQEVSTJZSA-N 309.409 3.454 0 40 DGAB in-vitro CC(C)(C)OC(=O)NCC(=O)N(Cc1ccco1)C1CCCC1 69420116 XTYSMDQAIUBYJZ-UHFFFAOYSA-N 322.405 3.076 0 40 DGAB Cc1sc(-c2cnccn2)nc1-c1ccc2c(c1)CCC(=O)N2 69632721 GELAIMDDESAMFB-UHFFFAOYSA-N 322.393 3.460 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@@H]3c3cnn(C)c3)cc2c1 70004527 ZEEXRCQREPRAQP-QGZVFWFLSA-N 308.385 3.187 0 40 DGAB O=C(C[C@@H]1CCCO1)NCCCO[C@H]1CCCc2ccccc21 70874888 CLFPMDCAWXDJTL-WMZOPIPTSA-N 317.429 3.156 0 40 DGAB CCO[C@@H]1C[C@@H](N(C)C(=O)c2ccnc(F)c2)C12CCCC2 71920779 VATAHSADCLJGNT-ZIAGYGMSSA-N 306.381 3.031 0 40 DGAB COC(=O)[C@H](NC(=O)c1ccccc1C(F)(F)F)C(C)(C)C 72288066 GUVDYQZDCJZAHL-NSHDSACASA-N 317.307 3.023 0 40 DGAB CC(=O)NC1CCN(CCCc2cccc3ccccc23)CC1 72290408 UREOKSWZFLJZTR-UHFFFAOYSA-N 310.441 3.373 0 40 DGAB Cc1noc(C)c1CC(=O)O[C@H](C)c1c(F)cccc1N(C)C 72296126 SEXNAVBUBBBFEZ-GFCCVEGCSA-N 320.364 3.343 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@H]3CCC[C@@H]32)c1 72296901 MGHLYVNBOLTXKX-PBHICJAKSA-N 312.413 3.218 0 40 DGAB Cc1csc([C@@H]2CCCN(C(=O)c3cc(Cl)c[nH]3)C2)n1 72298963 OJMHFQHDSQAHCN-SNVBAGLBSA-N 309.822 3.453 0 40 DGAB Cc1nc(C(=O)N2CCC[C@H](c3nc(C(C)C)cs3)C2)c[nH]1 72300319 XSRUGJQTMCVAFB-LBPRGKRZSA-N 318.446 3.318 0 40 DGAB COc1ccc(-c2ccc(S(=O)(=O)NC(C)C)cc2)cc1 72414503 FVWASEKKAXMARA-UHFFFAOYSA-N 305.399 3.049 0 40 DGAB OC[C@H]1CCCN(Cc2csc(-c3ccc(F)cc3)n2)C1 72553210 MCODMSXBWPODLH-LBPRGKRZSA-N 306.406 3.154 0 40 DGAB CCc1n[nH]c(NC(=O)[C@@H]2C[C@@H]2c2ccco2)c1Br 75093048 FMYQLRWTRUIKIR-JGVFFNPUSA-N 324.178 3.070 0 40 DGAB Cc1cc(NC(=O)c2cc(C(N)=O)cs2)ccc1OC(C)C 76022829 KCMAOCCJQZBTFL-UHFFFAOYSA-N 318.398 3.195 0 40 DGAB CN(Cc1cscn1)C(=O)[C@H]1C[C@]12CCCc1ccccc12 76082838 ATVVFMYZAOPTCU-AEFFLSMTSA-N 312.438 3.396 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1cccc(Cl)c1Cl)C1CC1 79421063 XEXBMRQNZSKIRQ-AWEZNQCLSA-N 315.244 3.468 0 40 DGAB Cc1cc(NC(=O)c2cccc(-c3csc(C)n3)c2)n(C)n1 79633422 OMFBOOWMVDFNGO-UHFFFAOYSA-N 312.398 3.413 0 40 DGAB CCOC[C@H]1CCN(C(=O)Nc2ncc(C(C)(C)C)s2)C1 81637053 ZQNJGNSQCLQKLA-NSHDSACASA-N 311.451 3.331 0 40 DGAB OCCNc1ccc(Oc2ccc(C(F)(F)F)cn2)c(F)c1 85277490 MWFZOVOVDJNIJD-UHFFFAOYSA-N 316.254 3.436 0 40 DGAB CCOc1cc(-c2nc(-c3cccc(N)c3)n[nH]2)ccc1OC 85385032 DAESKFMRLJSEHE-UHFFFAOYSA-N 310.357 3.128 0 40 DGAB COc1ncccc1CNC(=O)N1CCC[C@@H]1c1ccc(C)o1 89652623 QHRSFNSHYBWWBB-CQSZACIVSA-N 315.373 3.038 0 40 DGAB CC(C)n1cc(NC(=O)N2CCO[C@H](c3cccs3)C2)cn1 89894041 NKDTYMXNQOEUEX-ZDUSSCGKSA-N 320.418 3.131 0 40 DGAB Cc1n[nH]c([C@@H](NC(=O)[C@H](C)OC2CCCCCC2)C(C)C)n1 95415385 FIOOETZSNRSDGN-WFASDCNBSA-N 322.453 3.054 0 40 DGAB C[C@H](CCCO)NCc1cc(Br)ccc1Cl 95425782 VXMKHTBCFRPZRX-SECBINFHSA-N 306.631 3.353 0 40 DGAB COc1ccc(C(=O)N[C@H](C)CC(=O)c2cccs2)cc1 95435184 FMHXNPPJTJZZIP-LLVKDONJSA-N 303.383 3.148 0 40 DGAB CC(C)N(C)Cc1cnc2n1CCN(Cc1ccsc1)[C@H]2C 96061977 JLONKNOETGFAID-AWEZNQCLSA-N 318.490 3.362 0 40 DGAB CCOc1cc(NC(=O)NCC(C)(C)C[C@@H](C)O)ccc1C 96434575 DMJLJGBJSUUPBI-CYBMUJFWSA-N 308.422 3.312 0 40 DGAB CCc1cc(NC(=O)N[C@](C)(CC)c2nc(C)cs2)n(C)n1 96434952 VPJNYXPBWGHAEJ-OAHLLOKOSA-N 321.450 3.194 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@@H](C(=O)Nc2ccsc2)C1 96436603 CZCYJQHTRQVWPI-GHMZBOCLSA-N 310.419 3.380 0 40 DGAB Cc1ccsc1CN(C)C(=O)[C@H](C)[C@H](N)c1ccccc1 96467566 ZESFKNFDMVYKPB-CJNGLKHVSA-N 302.443 3.351 0 40 DGAB CC(C)C(=O)N1CC[C@H](N[C@H]2CC(C)(C)Cc3occc32)C1 96479354 XKSOWUJRVZZBFR-ZFWWWQNUSA-N 304.434 3.140 0 40 DGAB OC1=C2C(=Nc3ncnn3[C@@H]2c2cc(F)cc(F)c2)CCC1 102657605 JTGDKCNFYAWAHS-CQSZACIVSA-N 302.284 3.228 0 40 DGAB CC(=O)c1ccc(Oc2c(C)c(C)nc3ncnn23)c(Cl)c1 120386439 VMEHQOLXZPXRLL-UHFFFAOYSA-N 316.748 3.389 0 40 DGAB Ic1ccc2nn(-c3ccccc3)nc2c1 216939555 HTGLUPSVXPMLNK-UHFFFAOYSA-N 321.121 3.025 0 40 DGAB CCCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(C)o1 222857848 OKZJLQSBZRSVLY-GJZGRUSLSA-N 301.415 3.366 0 40 DGAB CSc1nnc(NC(=O)[C@@H](C)Sc2ccccc2)s1 223575687 WBCFVTQCNITGJB-MRVPVSSYSA-N 311.457 3.379 0 40 DGAB CCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOCC)nc1 225894963 KSJQSLNYKOUTCW-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB C[C@H]1CCCCN1C(=O)[C@]1(C)CC(c2ccc(F)cc2)=NO1 226749244 HPVUHIFQWWVSRG-SJCJKPOMSA-N 304.365 3.110 0 40 DGAB CO[C@@H]1CC[C@H]2N(Cc3ccccc3C(=O)O)CC[C@@]2(C)C1 257205925 BBBQKQAZPNXNOZ-KYJSFNMBSA-N 303.402 3.164 0 40 DGAB CNc1cc([C@H]2CCCN2C(=O)c2sc(C)nc2C)ccn1 257327040 WZQKSGJOVPJHSH-CYBMUJFWSA-N 316.430 3.174 0 40 DGAB Cc1ncoc1C(=O)N[C@@]1(C(F)(F)F)CCc2ccccc21 359140694 GHLSORNUWPPRRU-AWEZNQCLSA-N 310.275 3.117 0 40 DGAB O=S(=O)(NCc1ccc(-c2ccoc2)cc1)c1cccs1 390832380 ZCWMCCFUBUSIPP-UHFFFAOYSA-N 319.407 3.487 0 40 DGAB CCOc1ccc([C@@H]2NC[C@H](C(=O)O)S2)c2ccccc12 408976217 DYNIQWMXJYZOPO-HUUCEWRRSA-N 303.383 3.027 0 40 DGAB Cc1oc(CN(C)Cc2ncc(C(C)(C)C)o2)cc1C(=O)O 564662189 XALXUMLIKRNWCL-UHFFFAOYSA-N 306.362 3.204 0 40 DGAB C[C@H](NC(=O)N1CCC=C(c2ccccc2)C1)c1ccnc(O)c1 578160463 JLNVVCLPNGECSN-AWEZNQCLSA-N 323.396 3.347 0 40 DGAB CCn1ccc(C(=O)N[C@H]2CCCC[C@H]2CC(F)(F)F)n1 579835816 PURXBVUKZAOHPJ-QWRGUYRKSA-N 303.328 3.144 0 40 DGAB O=C(c1ccoc1C1CC1)N1C[C@H](O)C[C@H]1c1ccc(F)cc1 583614654 OELNESRRSCFFDD-ZBFHGGJFSA-N 315.344 3.244 0 40 DGAB CC(C)c1ncc2c(n1)C[C@H]1CN(C(=O)c3cccs3)C[C@H]21 585110024 WAXZWJVSGRHINM-AAEUAGOBSA-N 313.426 3.073 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CCCc2ccc(C(=O)O)cc2C1 1554693390 FYFIUYBRPATIEC-CQSZACIVSA-N 305.374 3.157 0 40 DGAB CCOc1ccc(NC(=O)c2cc(=O)c3ccccc3o2)cc1 189204 FJCGCLUOXBFOBR-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB CCc1cccc(CC)c1NC(=O)Cn1nnc2ccccc21 419346 RZOOFYLFNPNTBD-UHFFFAOYSA-N 308.385 3.195 0 40 DGAB Cn1c(Cc2ccccc2)nnc1SCC(=O)c1ccccc1 422886 RCEFWFLUWHELRI-UHFFFAOYSA-N 323.421 3.381 0 40 DGAB O=C(Cc1ccccc1)NC(=S)Nc1cccc(Cl)c1 502828 PFZZTLNMRWEDFG-UHFFFAOYSA-N 304.802 3.396 0 40 DGAB COC(=O)C[C@@H](NC(=O)/C=C/c1ccccc1)c1ccccc1 2288953 UVXFBZVCTOOLCL-GZKZCVOOSA-N 309.365 3.120 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CCCOc2ccccc2)cc1 2618092 GLRLEYDYGZPCOI-UHFFFAOYSA-N 312.369 3.443 0 40 DGAB Cn1ncc2c(Nc3ccc(SC(F)F)cc3)ncnc21 2659845 OLXCDBXXIIPGDI-UHFFFAOYSA-N 307.329 3.422 0 40 DGAB O=C(CC(=O)c1ccccc1)Nc1ccccc1OC(F)F 3331402 XAADBKAVWWUGNZ-UHFFFAOYSA-N 305.280 3.500 0 40 DGAB S=c1[nH]nc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCO1 3342635 NBSKZRXAOBUAFJ-SNVBAGLBSA-N 300.387 3.268 0 40 DGAB Cc1nc(NC[C@H]2CCCO2)sc1C(=O)Nc1ccccc1 3477415 KREAMXNBFJNCLG-CYBMUJFWSA-N 317.414 3.295 0 40 DGAB O=C(CN1CCc2ccccc21)NCc1ccc(Cl)cc1 3538047 FEHXAEMXFCXTGW-UHFFFAOYSA-N 300.789 3.019 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1 3659881 YGYQSPQOJHLYRK-HOCLYGCPSA-N 314.429 3.045 0 40 DGAB COc1cc(C)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)cc1C 4667103 OAYJQXZCKCQEOY-FZMZJTMJSA-N 311.447 3.169 0 40 DGAB O=C(CNC1CCCCC1)Nc1ccc(N2CCCC2)cc1 4896269 XHRFZSIYRANMQW-UHFFFAOYSA-N 301.434 3.148 0 40 DGAB CCc1nc(NCCC(C)C)c2nnn(Cc3ccccc3)c2n1 4968056 LQOIAOMRTGZTGC-UHFFFAOYSA-N 324.432 3.290 0 40 DGAB CCc1ccc([C@H](C)NC(=O)Cn2cnc3ccccc32)cc1 5199101 QQNOZZYSERKEQA-AWEZNQCLSA-N 307.397 3.476 0 40 DGAB CN(C)CCC[C@@]12O[C@@H](c3ccccc31)[C@H](O)c1ccccc12 5432230 QYDFQGAINLZXRW-AABGKKOBSA-N 309.409 3.390 0 40 DGAB Cc1ccc(-n2ccnc2S[C@H](C)C(=O)NC2CC2)c(C)c1 6081104 ZOWYMUDRTFHTLF-CYBMUJFWSA-N 315.442 3.248 0 40 DGAB COc1ccccc1Nc1nc([C@@]2(C)CCC(=O)O2)cs1 6415554 YWYWKRUAONUPOT-OAHLLOKOSA-N 304.371 3.448 0 40 DGAB biogenic O=C(/C=C/c1cccs1)Nc1ccccc1C(=O)NC1CC1 7597002 NHJKMOQHIOSSQY-MDZDMXLPSA-N 312.394 3.292 0 40 DGAB CC[C@@H](Oc1ccccc1OC)C(=O)NCCc1ccccc1 8558149 XAYSMQAKWGCIBG-MRXNPFEDSA-N 313.397 3.212 0 40 DGAB O=S(=O)(Nc1ccc(Cl)c(Cl)c1)N1CCCCC1 8714299 GNZGIZVAHFGJBW-UHFFFAOYSA-N 309.218 3.136 0 40 DGAB NC(=O)c1cccc(NC(=O)c2cc(Cl)sc2Cl)c1 8924084 DDDYRYURDGQRPH-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB Cc1c(C)n(C2CCCCC2)c2ncnc(NCCCO)c12 9051236 CWLFTUKTOZGYGZ-UHFFFAOYSA-N 302.422 3.348 0 40 DGAB CC(=O)c1csc(NC(=O)COc2ccc(Cl)cc2C)n1 9114282 PCFMLBOXTNEDNX-UHFFFAOYSA-N 324.789 3.325 0 40 DGAB COc1ccc2oc(C(=O)Nn3cnc4ccccc43)c(C)c2c1 9455573 ZAEAXCAZFLESQV-UHFFFAOYSA-N 321.336 3.483 0 40 DGAB CC(C)[C@H](NC(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 10036171 HIIDNDCYLWNOIP-KRWDZBQOSA-N 318.417 3.397 0 40 DGAB Cc1ccsc1CN(C)C(=O)Nn1cnc2ccccc21 10403178 XQJNZAHYWJTBMR-UHFFFAOYSA-N 300.387 3.202 0 40 DGAB COc1ccc(O[C@@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)cc1 11339932 MOKYFLCRKIPGJH-STQMWFEESA-N 317.360 3.479 0 40 DGAB CC[C@H](CC(=O)N[C@H]1CCCOC1)c1c[nH]c2ccccc12 12194487 QFRKNHBHUSLQMX-KGLIPLIRSA-N 300.402 3.347 0 40 DGAB C[C@H](NC(=O)c1cc(C2CC2)nn1C)c1ccc2c(c1)CCC2 12194807 QMQMGZNSJRBCIC-LBPRGKRZSA-N 309.413 3.277 0 40 DGAB COc1ccc(-c2nc(NC(C)C)ncc2-c2ncc[nH]2)cc1 12220244 RDEDRUILRFOLRV-UHFFFAOYSA-N 309.373 3.363 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CCCN(C[C@H](O)c2ccccc2)C1 12328105 MNAUZBASDLSNEB-HKUYNNGSSA-N 324.424 3.071 0 40 DGAB COc1ccc(-c2noc3nc(C4CC4)cc(C(=O)O)c23)cc1 12396804 VWADMGDJFWRKMQ-UHFFFAOYSA-N 310.309 3.474 0 40 DGAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1c[nH]c2ccccc12 12872320 RHIVSXGVGWKPQP-UHFFFAOYSA-N 324.380 3.060 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)N[C@@H]1CCc2ccccc21 13001896 QMWFOLDFTHDURZ-CZUORRHYSA-N 310.397 3.299 0 40 DGAB COc1ccccc1CN(Cc1ccoc1)C[C@H]1CCCO1 13995137 XLTHZTSCZMLYBL-QGZVFWFLSA-N 301.386 3.469 0 40 DGAB Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2C=O)c(C)c1 16736108 QKEISMYWALFKCD-UHFFFAOYSA-N 308.337 3.225 0 40 DGAB Cc1ccc(O[C@H](C)C(=O)N[C@H](C)Cc2ccccn2)cc1C 19214194 QSPRVNHLOWYRKE-HZPDHXFCSA-N 312.413 3.213 0 40 DGAB Cc1ccccc1CN1CCC(CNCc2cccnc2)CC1 19735502 YQEFLCOJCTVTRR-UHFFFAOYSA-N 309.457 3.392 0 40 DGAB in-vitro O=C(O)c1cnc2ccccc2c1Nc1ccc2c(c1)OCCO2 19795501 ONMQDVIKWAFQIB-UHFFFAOYSA-N 322.320 3.448 0 40 DGAB CC(C)[C@@H](NC(=O)CCc1ccccc1)c1nnc2ccccn12 20744483 KPENBIXVWFZKRY-GOSISDBHSA-N 322.412 3.175 0 40 DGAB CNc1snc(C)c1C(=O)Nc1nc2c(s1)CCCCC2 21138941 XOTTZGADQUAXBT-UHFFFAOYSA-N 322.459 3.471 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2noc(-c3ccccc3)n2)c1 21800384 CKXFMBDRFYWCBK-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB COc1ccc([C@@H](NC(=O)CN2CCC[C@@H](C)C2)C(C)C)cc1 22057239 KLLWBTBMNOYGII-BEFAXECRSA-N 318.461 3.240 0 40 DGAB COCCN1CCC[C@@H]1C(=O)Nc1cc(Cl)cc(Cl)c1 26465739 YHCOCOSXMRYVNB-CYBMUJFWSA-N 317.216 3.043 0 40 DGAB Sc1nnc(COc2ccc(Br)cc2)s1 26953313 SGUBNMXHQHGEKI-UHFFFAOYSA-N 303.206 3.168 0 40 DGAB O=C(NCc1cccc(C(F)(F)F)c1)c1n[nH]cc1Cl 28226774 XFPZVBUAVWTDDG-UHFFFAOYSA-N 303.671 3.012 0 40 DGAB O=C(Nc1ccc(-n2ccnc2)cc1)c1ccc2[nH]cnc2c1 30608443 PPOQCBCFIIUPJA-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB CCc1ccc(C(=O)NNC(=S)Nc2cccc(Cl)c2)o1 31492866 VBLWOCQNSSPQRT-UHFFFAOYSA-N 323.805 3.127 0 40 DGAB CN(C)CC(C)(C)CNC(=O)c1cc2cc(Cl)ccc2[nH]1 40058478 XGYLPGRCKDIQPB-UHFFFAOYSA-N 307.825 3.139 0 40 DGAB Cc1cc(C)n(-c2cccc(NC(=O)c3c(C)noc3C)c2)n1 40134054 VBAJKVJEHJQHHY-UHFFFAOYSA-N 310.357 3.346 0 40 DGAB CC(C)CNC(=O)CCc1nc(-c2cccc(Cl)c2)no1 41184768 XBGLACSXODTARB-UHFFFAOYSA-N 307.781 3.095 0 40 DGAB CCN(CC)CCNC(=O)N1CCC[C@H]1c1ccc(F)cc1 42845197 NAWBTRSAHGZMHH-INIZCTEOSA-N 307.413 3.014 0 40 DGAB C[C@@H]1Sc2ccc(C(=O)NC(C3CC3)C3CC3)cc2NC1=O 44895591 FGSFYTXAICLWSK-VIFPVBQESA-N 316.426 3.038 0 40 DGAB COc1ccccc1[C@H](C)N(C)C(=O)CCc1c(C)noc1C 45249892 HZJPUHDOUNAFCH-ZDUSSCGKSA-N 316.401 3.452 0 40 DGAB CC1(C)Oc2ccc(NC(=O)c3ccc(F)cc3)cc2NC1=O 46088473 PEOMVGJUUYEOST-UHFFFAOYSA-N 314.316 3.188 0 40 DGAB Cc1[nH]c2ccc(C(=O)Nc3ccccc3CC(N)=O)cc2c1C 47256350 OVDNNBCRLMZCEY-UHFFFAOYSA-N 321.380 3.065 0 40 DGAB COCc1ccc(C(=O)Nc2nccn2Cc2ccccc2)cc1 47709083 HKUPOHRUBAPTEW-UHFFFAOYSA-N 321.380 3.330 0 40 DGAB O=C(Nc1nc2ccccc2s1)c1cccc2c1OCCO2 48375088 IPAWLFKDRHTJEP-UHFFFAOYSA-N 312.350 3.320 0 40 DGAB O=C(c1csc(-c2cccs2)n1)N1CCO[C@H]2CCC[C@H]21 53379651 FKJOAPDPLITQLG-NEPJUHHUSA-N 320.439 3.265 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N2CCC[C@@H]2CCc2ccccc2)c1 56331789 WJMAUIZHDILWRD-QGZVFWFLSA-N 310.397 3.455 0 40 DGAB O=C(NC1C2CC3CC(C2)CC1C3)c1ccc2nsnc2c1 57314155 WLBNKWOVNVPUMW-UHFFFAOYSA-N 313.426 3.246 0 40 DGAB CN(C)CCCN(Cc1ccco1)Cc1c[nH]nc1C(C)(C)C 57810906 DXXWYKSRRQJXKO-UHFFFAOYSA-N 318.465 3.254 0 40 DGAB Cc1cc(N2CCCC2)ccc1NC(=O)Cn1cc(Cl)cn1 58024024 DJZHSLQFAIQGQJ-UHFFFAOYSA-N 318.808 3.084 0 40 DGAB O=C(CC[S@](=O)Cc1ccccc1)Nc1ccc(F)cc1 58098628 GTTVAXPCOFAWMY-OAQYLSRUSA-N 305.374 3.103 0 40 DGAB CN(CC1CCCC1)C(=O)c1ccc2c(O)[nH]c(=S)nc2c1 64089336 ZWHDDMAFCUAQNO-UHFFFAOYSA-N 317.414 3.260 0 40 DGAB Cc1[nH]c2ccc(CNc3cnn(C)c(=O)c3Cl)cc2c1C 64947689 CTFBWAOBCZMAAR-UHFFFAOYSA-N 316.792 3.144 0 40 DGAB CCOCCCn1c(NC(=O)c2cccnc2)nc2ccccc21 65513484 DOVUYWZFRYPMJJ-UHFFFAOYSA-N 324.384 3.110 0 40 DGAB Clc1cccc(OCCCN2CCCN3CCC[C@@H]3C2)c1 65564146 HEFCOZOWYRHAAX-MRXNPFEDSA-N 308.853 3.279 0 40 DGAB CCO[C@@H]1CCCN(C(=O)Nc2ccccc2OC(F)F)C1 65576560 OQAZPJDJOQRVHJ-LLVKDONJSA-N 314.332 3.321 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)c2cc(C3CC3)[nH]n2)c1 71798154 BFNWJHVTHLYAQG-KRWDZBQOSA-N 311.385 3.273 0 40 DGAB NC(=O)[C@@H](N[C@H]1CCc2c(Cl)cccc21)c1ccccc1 71824509 DMIQJJXECSMPLV-HOTGVXAUSA-N 300.789 3.144 0 40 DGAB COc1ccc(C[C@H]2CCCN2C(=O)c2csc(C)n2)cc1 71833086 KBUVQUVLJLPKBI-CQSZACIVSA-N 316.426 3.307 0 40 DGAB O=C(C[C@H]1OCCc2ccccc21)N(CC(F)(F)F)C1CC1 71908507 LQXGUIWTUSPYNH-CQSZACIVSA-N 313.319 3.244 0 40 DGAB Cc1cc(C)n(CCCNC(=O)c2ccc(-c3ccco3)o2)n1 72243255 IXFKYEINVUEZCT-UHFFFAOYSA-N 313.357 3.173 0 40 DGAB CCc1csc([C@@H]2CCCN(C(=O)c3cc(C)no3)C2)n1 72282204 RXDJFJWBAJYECQ-LLVKDONJSA-N 305.403 3.022 0 40 DGAB COc1ccc(NC(=O)NC[C@@](C)(O)c2ccsc2)cc1C 72294199 GTSHIFZICGDAMB-MRXNPFEDSA-N 320.414 3.094 0 40 DGAB O=C(c1cncs1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 72368378 BBVDOZYPFDQVSL-NSHDSACASA-N 312.398 3.039 0 40 DGAB Cc1cc(OC(F)F)c(C(=O)Nc2c(C)c(C)nn2C)s1 74587956 VWXFDOLKSFMCON-UHFFFAOYSA-N 315.345 3.261 0 40 DGAB Cc1cc(C)n(Cc2cccc(N[C@H](C)c3nnc(C)o3)c2)n1 79030889 JRWIEGGNINXADK-CYBMUJFWSA-N 311.389 3.413 0 40 DGAB C[C@H](Cc1nc2ccccc2s1)SCCS(C)(=O)=O 79345171 WLYURKUKUWGPDX-SNVBAGLBSA-N 315.485 3.005 0 40 DGAB O=C(Cc1ccccc1Cl)NCC[C@@H](O)c1ccccc1 81251609 IFRQLCDYIXIHBU-MRXNPFEDSA-N 303.789 3.122 0 40 DGAB CN(C1CCCCC1)S(=O)(=O)NCC1CCCCCCC1 83855623 DOUORDPAVWEJNE-UHFFFAOYSA-N 316.511 3.446 0 40 DGAB Cc1cc(NC(=O)C[C@H]2CCCCO2)ncc1Br 87370947 ZGUXSPTUVQKNAW-SNVBAGLBSA-N 313.195 3.050 0 40 DGAB Cc1ccncc1NC(=O)N[C@@H](C)C[C@H](O)c1cccs1 89275357 JTXPZBKHEFQXJC-AAEUAGOBSA-N 305.403 3.085 0 40 DGAB COc1ccc(C)c(NC(=O)NCCc2cn3ccccc3n2)c1 89646768 IHXOOBMLIKCNJZ-UHFFFAOYSA-N 324.384 3.016 0 40 DGAB Oc1cccc2c1CC[C@@H]2NCc1cccc2c1OCCCO2 89774308 BWGRKROQLWMBOG-INIZCTEOSA-N 311.381 3.331 0 40 DGAB C[C@H](O)C[C@H]1CCCN1Cc1nc(-c2ccc(Cl)cc2)no1 89895298 ISZYECWOVMVINV-SMDDNHRTSA-N 321.808 3.125 0 40 DGAB CCS(=O)(=O)Nc1ccc([C@H](C)NCc2ccsc2)cc1 95420293 KHCBKOHWWXUHCN-LBPRGKRZSA-N 324.471 3.361 0 40 DGAB CC(C)CSC[C@@H](C)NC1CCN(c2ccccn2)CC1 95420314 QGKLVLKUIUMVTH-OAHLLOKOSA-N 307.507 3.418 0 40 DGAB OCCOc1ccccc1CN[C@H]1CCc2cc(Cl)ccc21 95423121 IOTLNTQCUCXHQZ-KRWDZBQOSA-N 317.816 3.488 0 40 DGAB CC[C@H](NC(=O)N[C@H]1CC(C)(C)OC1(C)C)c1ccncc1 95995205 KRTRUOOFQRWOKR-KBPBESRZSA-N 305.422 3.178 0 40 DGAB O=C(c1cccc(F)c1)N1CCC2(CCCN2CC2CC2)CC1 96075234 FQRNVBLAAPHXCN-UHFFFAOYSA-N 316.420 3.306 0 40 DGAB CCc1ccc(CN2CC[C@H](OC)[C@@H]2Cc2cccnc2)o1 96200477 ZOLIVUHKRLNKMW-ROUUACIJSA-N 300.402 3.069 0 40 DGAB CN(Cc1cscn1)C(=O)[C@@H]1SCCc2ccccc21 96430714 UZVJDESRDCYPRB-CQSZACIVSA-N 304.440 3.132 0 40 DGAB C[C@@](Cl)([C@@H](O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96520242 NWTZGHMPIZOYTM-HOTGVXAUSA-N 324.829 3.387 0 40 DGAB CC[C@](Cl)([C@H](O)c1cccc(Cl)c1)S(=O)(=O)CC 96520674 QIRYJGCOFSMUMQ-VXGBXAGGSA-N 311.230 3.153 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)/C=C\c1ccc(C)o1 96602486 XABZOLRJVHKGFJ-CLFYSBASSA-N 314.341 3.207 0 40 DGAB CN1CCC[C@@H]1C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl 97079796 ZGKZKUYMSXYCLI-MRVPVSSYSA-N 323.607 3.385 0 40 DGAB O=C(N[C@H]1CCOC2(CCCCC2)C1)c1ccc(O)cc1F 97232822 PUZDCMTZDQOXEP-LBPRGKRZSA-N 307.365 3.143 0 40 DGAB Cc1nc(C(=O)OC[C@H]2CC[C@H](C)O2)c(-c2ccccc2)o1 97376739 QYFQRHCHFANQOD-SMDDNHRTSA-N 301.342 3.374 0 40 DGAB COCCn1c(-c2ccco2)cs/c1=N/c1cccnc1 102377584 AIKWOZMRSGAEKI-BMRADRMJSA-N 301.371 3.083 0 40 DGAB Cc1cc(C(F)F)nn1CC(=O)N[C@@H](C)[C@H]1C[C@H]2CC[C@H]1C2 102597205 MRDDKGSOAPBVGT-ZDEQEGDKSA-N 311.376 3.070 0 40 DGAB CCO[C@H](CNC(=O)Nc1ccncc1F)c1ccccc1 193730246 QADZWJVFBJOJSN-OAHLLOKOSA-N 303.337 3.120 0 40 DGAB CCc1nc(CNc2nnc(-c3ccccn3)s2)cs1 195575247 LGXARTYUOSHNQF-UHFFFAOYSA-N 303.416 3.231 0 40 DGAB C[C@@H]1CC(=O)c2cnn(-c3cccc(Br)c3)c2C1 199730719 PQUBZRJYIYXTQK-VIFPVBQESA-N 305.175 3.400 0 40 DGAB Cc1ccc(C(=O)n2cc(C(N)=O)c3ccccc32)c(Cl)c1 216955347 YXMXBAXEKVLRDV-UHFFFAOYSA-N 312.756 3.391 0 40 DGAB O=C(NC[C@@](O)(c1ccco1)c1cccs1)c1ccsc1 225584829 LIXOXSVPLLIADC-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB O=C(Cc1ccsc1)NCc1ccnc(-c2cccnc2)c1 225640716 RLQPEYOVCMWPLM-UHFFFAOYSA-N 309.394 3.064 0 40 DGAB Cc1cc(NC(=O)CCCn2cc(-c3ccccc3)cn2)nn1C 227165218 NFXWBYHZHQMBNL-UHFFFAOYSA-N 323.400 3.011 0 40 DGAB C[C@H]1Cc2cc(F)ccc2[C@@H](C)N1C(=O)c1cc(C(=O)O)co1 262809467 PAMFJRPVOOTGCO-VHSXEESVSA-N 317.316 3.265 0 40 DGAB Cc1cc(Br)oc1C(=O)N(CC(F)F)C(C)C 269099412 OLOBQADGCQIVIV-UHFFFAOYSA-N 310.138 3.466 0 40 DGAB CC[C@H]1C[C@@H](c2nc(Cc3c[nH]c4ncccc34)no2)CCO1 274228808 UXPWYRLHAVNMGJ-AAEUAGOBSA-N 312.373 3.209 0 40 DGAB O=C(c1ccc(-c2ccccc2)o1)N1CC[C@H](O)CC12CCC2 521422479 HPAXCKONTZOEGQ-HNNXBMFYSA-N 311.381 3.466 0 40 DGAB C[C@@H]1CCCC[C@@H]1CC(=O)N1CCC[C@@H]1c1ccc(O)nn1 530077822 XHYKIJOTCXHOCI-UMVBOHGHSA-N 303.406 3.062 0 40 DGAB Cc1nn(C(C)(C)C)cc1C(=O)NCc1nc2ccccc2o1 576386474 OXOWBUNNXDXGCW-UHFFFAOYSA-N 312.373 3.018 0 40 DGAB COC[C@@H]1CN(Cc2ccsc2)CC12CCN(C(C)C)CC2 585103316 OGSURUXUCANURR-KRWDZBQOSA-N 322.518 3.317 0 40 DGAB CC[C@@H](OC)C(=O)Nc1c(Br)ncc2ccccc12 585125852 HMMDPSKISYLFFW-LLVKDONJSA-N 323.190 3.361 0 40 DGAB CCc1[nH]c2cc(I)ccc2c(=O)c1C 685938822 ZRJPSGXRHAWRQI-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB O=S(=O)(CCc1ccccc1)N1CCC(=C2CCC2)CC1 1775986078 SUZQWKAFAHZVLN-UHFFFAOYSA-N 305.443 3.135 0 40 DGAB O=C(Nc1ccccc1Cl)c1cc2c([nH]c1=O)CCCC2 34619 DGSWBWYGDMUFDI-UHFFFAOYSA-N 302.761 3.159 0 40 DGAB CCOc1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1 44781 NXWFXRFPBWXXBV-AWEZNQCLSA-N 324.380 3.077 0 40 DGAB O=S(=O)(c1ccc(F)cc1)N1CCS[C@H]1c1ccccc1 114561 TWLFQTBZLZCCLN-HNNXBMFYSA-N 323.414 3.262 0 40 DGAB Cc1ccc([C@@H]2SCCN2S(=O)(=O)c2ccccc2)cc1 520890 RGPFHKQBGFDMSZ-INIZCTEOSA-N 319.451 3.431 0 40 DGAB O=C(Nc1ccc(NC(=O)c2ccco2)cn1)c1ccccc1 1352821 LYHDBZFJUMJYGM-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 1683553 QBRHVORBTKVOQZ-UHFFFAOYSA-N 304.415 3.367 0 40 DGAB in-vitro Cc1c(C(=O)Nc2ccccc2)nnn1-c1ccc(Cl)cc1 2692778 VVUILPOWPABTIA-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB Nc1ccc(Cl)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 3885383 NEACNGHHQWFDRG-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB O=C(CSc1ccccc1)Nc1nnc(-c2ccccc2)o1 4496687 NWNOTXMSDKYIRK-UHFFFAOYSA-N 311.366 3.467 0 40 DGAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1cccc(C)c1 5218142 QLICNAMMBSOLDD-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB C[C@H](NC(=O)[C@H]1COc2ccccc2O1)c1ccc(Cl)cc1 5559311 DYUHPHOZLPTTOC-MEDUHNTESA-N 317.772 3.357 0 40 DGAB Cc1ccc(CSc2nnc(NC(=O)C3CC3)s2)cc1 5615276 CAOFJKLYVCSIAZ-UHFFFAOYSA-N 305.428 3.487 0 40 DGAB CC(C)C(=O)OCC(=O)N[C@H](C)c1ccc(Cl)cc1Cl 5713364 XQOYNZFYXQHCIL-SECBINFHSA-N 318.200 3.370 0 40 DGAB CCCCc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OCC)cc1 5713688 FKNJFABSTNGYAZ-MRXNPFEDSA-N 316.401 3.220 0 40 DGAB Cc1ccc2nc(S[C@@H](C)C(=O)NCc3ccco3)[nH]c2c1 6506674 QSJLYLXLBPUSLG-NSHDSACASA-N 315.398 3.261 0 40 DGAB CC[C@H](C)c1ccc(C(=O)CSc2nc(N)cc(N)n2)cc1 6533203 DPCWHFYUMUKNHU-JTQLQIEISA-N 316.430 3.130 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2c(C)cccc2C)cc1 7069461 YAEVMNOZKXVXNO-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB CCOCCn1c(CNC(=O)c2ccccc2)nc2ccccc21 7425145 UYQQVZMQEDGAIB-UHFFFAOYSA-N 323.396 3.003 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2cccc3cccnc23)c1 8073881 MLPUAFIDPVDNHG-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB O=C(NN1CCCCC1)c1cc2c(s1)-c1ccccc1OC2 8156047 QYRAUTFJZHHHDR-UHFFFAOYSA-N 314.410 3.438 0 40 DGAB Cc1ccc([C@@H]2Nc3ccccc3C(=O)N2C[C@@H]2CCCO2)o1 8157099 BNKZQOOTAVJXOR-SUMWQHHRSA-N 312.369 3.334 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)c1cc(Cl)c2c(c1)OCO2 8273698 ZIMNSSLBMUWGIC-UHFFFAOYSA-N 319.700 3.050 0 40 DGAB Cc1ccc(C)c(NC(=O)CN2CCc3sccc3C2)c1 10341068 KKEJDCZXWLEVNU-UHFFFAOYSA-N 300.427 3.362 0 40 DGAB C[C@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccoc3)n2)C1 12240028 HKKDDDIRIHCENU-ZDUSSCGKSA-N 321.384 3.430 0 40 DGAB COc1ccc2c(C)cc(SCC(=O)N3CCCC3)nc2c1 12533692 LYBCGNPFKHDDAN-UHFFFAOYSA-N 316.426 3.266 0 40 DGAB C[C@H]1CCC[C@@H](C)N1C(=O)COC(=O)CCCc1cccs1 12599424 WTYYWCGRAMVXGV-OKILXGFUSA-N 323.458 3.404 0 40 DGAB O=c1c2ccc(F)cc2ncn1Cc1nc2ccccc2s1 12783087 ICERODGRKWHLQT-UHFFFAOYSA-N 311.341 3.194 0 40 DGAB CCOCCCNC(=O)Cc1cc(-c2ccc(Cl)cc2)on1 12863444 MSYZZFOTKDZCSC-UHFFFAOYSA-N 322.792 3.080 0 40 DGAB CCC[C@H](C)NC(=O)NCC(=O)Nc1c(C)cc(C)cc1C 12973241 INIPADBKIWCTRN-AWEZNQCLSA-N 305.422 3.038 0 40 DGAB c1ccc(OCCn2cnc3cc4c(cc32)OCCCO4)cc1 14000676 KPAWQUSCZAVCBG-UHFFFAOYSA-N 310.353 3.277 0 40 DGAB COc1ccc(Cl)cc1CNc1ccc2[nH]c(=O)[nH]c2c1 20879895 FBVZAZWJENNXNC-UHFFFAOYSA-N 303.749 3.130 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)CCc2ccccc2)c1OC 23074267 PTCPCXFLMAEYNR-AWEZNQCLSA-N 313.397 3.455 0 40 DGAB Cc1oc(C)c(C(=O)NC[C@H](c2cccc(F)c2)N(C)C)c1C 25382888 OCHGDGAMFKKZJQ-MRXNPFEDSA-N 318.392 3.377 0 40 DGAB C[C@@H](C(=O)NCCC1=CCCCC1)N1CCc2ccccc2C1 25447714 DCDUXUASWBJUNR-INIZCTEOSA-N 312.457 3.440 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)Nc3ccc(F)cc3)cn2)n1 32833047 RABSYXDFFPOADR-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc3c(s2)CCCC3)C1 39975566 VWNLFXBAHGROFL-CYBMUJFWSA-N 321.442 3.042 0 40 DGAB Cn1ccnc1CN(C(=O)c1cccc(C(F)(F)F)c1)C1CC1 40114606 MPJDJCCUDNDNBK-UHFFFAOYSA-N 323.318 3.244 0 40 DGAB Cc1ccn(S(=O)(=O)c2ccc(C3CCCCC3)cc2)n1 41096401 SAXYPQVQTDYHFR-UHFFFAOYSA-N 304.415 3.476 0 40 DGAB CC(C)Oc1ccc(CNC(=O)CCc2ccsc2)cn1 44953799 QFWJODNEMRAZJU-UHFFFAOYSA-N 304.415 3.179 0 40 DGAB Cc1nc(CNC(=O)N(Cc2cccc(O)c2)C2CC2)cs1 45343541 WCAHWVOYVISBKP-UHFFFAOYSA-N 317.414 3.031 0 40 DGAB Cc1ccc(C(=O)N2CCN(c3ccc(F)cc3)CC2)cc1F 45819922 AELHEKWGJAJOKD-UHFFFAOYSA-N 316.351 3.236 0 40 DGAB CCN1C[C@H](C(=O)Nc2ccccc2-c2cccs2)CC1=O 48345844 JYPPLAWMUGTMSF-GFCCVEGCSA-N 314.410 3.222 0 40 DGAB CCN(C[C@H]1CCOC1)C(=O)c1ccc2[nH]c(C)c(C)c2c1 48387115 KWODINHKJAFPLW-CQSZACIVSA-N 300.402 3.283 0 40 DGAB CN(CCNC(=O)CCc1ccccc1F)c1ccccc1 53207812 ZNUSSIFOTSMJCK-UHFFFAOYSA-N 300.377 3.011 0 40 DGAB COc1cccc(CNC2CCN(C(=O)c3ccccc3)CC2)c1 53601636 BWBMVMKEMNAKJW-UHFFFAOYSA-N 324.424 3.090 0 40 DGAB CC[C@H](CNS(=O)(=O)Cc1ccc(F)cc1)c1ccccc1 58156015 YIVDCHLCVLOITE-OAHLLOKOSA-N 321.417 3.439 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)C1CCCC1 58343951 YRPUNRRKEFBWJA-AWEZNQCLSA-N 306.475 3.267 0 40 DGAB COc1ccc(CC(=O)OCc2sc(C)nc2C)cc1F 58370617 ARMORMYEWOQMTA-UHFFFAOYSA-N 309.362 3.194 0 40 DGAB C[C@H]1CCCN(C(=O)c2ccc3c(c2)NC(=O)[C@H](C)S3)CC1 65479372 XOCWIGFYSUMRBT-RYUDHWBXSA-N 318.442 3.382 0 40 DGAB CC(C)Cn1ccnc1NC(=O)Cc1cn(C)c2ccccc12 65591502 FUWZMRUKWVUTLJ-UHFFFAOYSA-N 310.401 3.212 0 40 DGAB Cc1ccc(C)c(/N=c2\oc3cc(O)ccc3cc2C(N)=O)c1 67298275 QMOMZZQHAYUCAF-ZZEZOPTASA-N 308.337 3.087 0 40 DGAB COc1ccc(OCCNC(=O)Cc2cccc(Cl)c2)cc1 67795389 RBMNBGNDWHYFBS-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB Cc1ccc(CN[C@H](CN2CCN(C)CC2)c2ccccc2)cc1 69171383 FYUORFZAMITFQZ-OAQYLSRUSA-N 323.484 3.073 0 40 DGAB C[C@@H](Cn1cccn1)NCc1csc(-c2cccs2)n1 69349852 QLJZFNLRLBPVOS-NSHDSACASA-N 304.444 3.246 0 40 DGAB Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H]2CCCO2)CC1 71820041 MQXCBQSHEFUHQS-KRWDZBQOSA-N 312.413 3.361 0 40 DGAB C[C@H](CC[C@H]1CCCO1)NC(=O)NCc1cc(F)ccc1F 71856679 FDIRWFHVGHKBSD-BXUZGUMPSA-N 312.360 3.112 0 40 DGAB Fc1ccc(C2(c3nnc([C@H]4CCCO4)o3)CCOCC2)cc1 71889920 RMKHQFDGQBSPDK-CQSZACIVSA-N 318.348 3.157 0 40 DGAB C(=C/c1ccccc1)\CNC1CCN(Cc2ccccn2)CC1 71924543 YMSQATWYSPCCAV-RMKNXTFCSA-N 307.441 3.349 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](Cc2ccccc2)[C@@H]1C(=O)O 72233719 RQVXBFVMALLQRY-LSDHHAIUSA-N 319.401 3.329 0 40 DGAB CCc1cccc(NC(=O)CN2CCC[C@@H]2c2ccccn2)c1 72311927 TYRGSBTUDZJFRB-GOSISDBHSA-N 309.413 3.420 0 40 DGAB CN1CCC[C@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 72829243 KXZHTSHYQNYVQR-SFHVURJKSA-N 308.425 3.234 0 40 DGAB C[C@H](NC(=O)CCc1ccco1)c1cccc(-n2cccn2)c1 73204866 YXDGWIJWUMOVFZ-AWEZNQCLSA-N 309.369 3.275 0 40 DGAB Nc1ccc2c(c1)C=NCCN2C(=O)c1cc2ccccc2o1 73642334 MUONUGQVSBSPOF-UHFFFAOYSA-N 305.337 3.094 0 40 DGAB C[C@H](C1CC1)N(C)C(=O)NCCc1nc(C(F)(F)F)cs1 74899757 BRLSEEGDZQKQLB-MRVPVSSYSA-N 321.368 3.144 0 40 DGAB Cc1cnn(CCCNc2nc(-c3ccncc3)nc(C)c2C)c1 75138224 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CC[C@H](C(=O)N1CCCSC[C@H]1CN(C)C)c1ccccc1 90699974 HDTOKXPIDQQWLZ-SJORKVTESA-N 320.502 3.076 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC[C@]2(O)CCc3ccccc32)c1 90780105 DOGDSMWIVWTNCD-JLTOFOAXSA-N 324.424 3.130 0 40 DGAB CC[C@H](NC(=O)N1CC[C@@H](OCC(C)C)C1)c1nccs1 95413513 LAWDGIDTOVLLDI-OLZOCXBDSA-N 311.451 3.051 0 40 DGAB CC[C@@H](C)c1cc(C(=O)N[C@H](CC(=O)O)c2ccccc2)on1 95424063 BUUDLNQXGTXPFW-BXUZGUMPSA-N 316.357 3.134 0 40 DGAB COC[C@H](N[C@H](C)c1ccc2c(c1)OCO2)c1ccc(C)o1 95968832 UHLFCRAYKJXXAV-OCCSQVGLSA-N 303.358 3.355 0 40 DGAB C[C@@H](C(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl)N(C)C 96004054 BZAGIBJVMHSIDI-YFKPBYRVSA-N 311.596 3.241 0 40 DGAB CN(C)[C@@H]1CC2(CCN(c3ncccn3)CC2)c2ccccc21 96079171 QOUUJTNXOHVZQR-QGZVFWFLSA-N 308.429 3.021 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2CCCN2c2nc3ccccc3o2)nc1 96122549 KTMGXPWMAZLAMV-AWEZNQCLSA-N 322.368 3.139 0 40 DGAB CN(C)CCCNC(=O)c1ccc(Oc2ccccc2Cl)o1 96183855 WXPBNVDBCOPCGM-UHFFFAOYSA-N 322.792 3.407 0 40 DGAB O=C(CSCc1ccncc1)NC1(c2ccccc2F)CC1 96412740 WHEXUVLMNOTWTC-UHFFFAOYSA-N 316.401 3.259 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2c2cccnc2)C12CCCC2 96432552 IXTXCZWBTYDXQN-WCXIOVBPSA-N 314.429 3.039 0 40 DGAB CCCC(=O)Nc1cccc(N[C@@H]2C[C@H](C)N(C3CC3)C2)c1 96487560 YESRWVZPZNYVEB-XJKSGUPXSA-N 301.434 3.462 0 40 DGAB Cc1noc(C)c1CC(=O)N[C@H]1CCCOc2c(F)cccc21 97046941 RTXSCWTVUJGFCO-HNNXBMFYSA-N 318.348 3.003 0 40 DGAB Cc1ccccc1OC[C@H](O)CN[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103318529 NJPZACOKFGHQHV-TXTZMMAHSA-N 303.446 3.149 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@H]1CCOc2ccccc21 103320419 AQYDYRXIDBGCKH-YOEHRIQHSA-N 322.408 3.078 0 40 DGAB O=C(N[C@@H]1[C@H]2Cc3ccccc3[C@@H]21)c1c(F)c(F)cc(F)c1F 104288058 DOOASQRWQMIIOF-RVIYUIFMSA-N 321.273 3.311 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@H](OCC[C@H](O)CN1CCCCC1)C2 104488834 QHYMIDXILVIDSE-SFNKJDCFSA-N 309.494 3.455 0 40 DGAB C[C@H]1CN(C2CC2)C[C@H]1NC(=O)Nc1cccc2ccccc12 107155328 BLKQWNLNPLSKKL-SCLBCKFNSA-N 309.413 3.444 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@H]4C[C@@H](O)[C@@H]5C[C@@]43CO5)[C@@H]1CC[C@@]2(C)O 118936502 MCXPKMFJUSQFTA-VROVYBIBSA-N 320.473 3.130 0 40 DGAB Cn1c(CN[C@H]2CCCC[C@@H]2C(F)(F)F)nnc1C1CCC1 124141616 JTEMFVSIYOGCOL-RYUDHWBXSA-N 316.371 3.293 0 40 DGAB COc1ccc(CN(C)C(=O)CSc2ccoc2C)cc1 131499776 GZWJKBBBFKNANY-UHFFFAOYSA-N 305.399 3.347 0 40 DGAB COc1ncc(C)cc1NC(=O)c1cc(C)n(-c2ccccc2)n1 173515520 SHEVYQYPDRVZHS-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB O=C(O)c1coc(C(=O)N2CCCCC[C@H]2c2ccco2)c1 183792256 HMNNQWZKSXLRGZ-LBPRGKRZSA-N 303.314 3.328 0 40 DGAB COc1cc(SC)ccc1NC(=O)CCc1ccncc1 193253360 FFCBLSLRJDMQPO-UHFFFAOYSA-N 302.399 3.383 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1sccc1C 222768510 SFIIYTIJKPLXJI-CHWSQXEVSA-N 303.456 3.444 0 40 DGAB CC[C@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccncc1 224321605 RDOLCGHBCIDOEQ-IBGZPJMESA-N 324.424 3.434 0 40 DGAB COc1ccc(C)cc1C[C@H](Oc1cccc(C)c1)C(=O)O 225117185 UNGYSEPPGHTDIK-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB O=C(NC1CCOCC1)N(Cc1ccoc1)Cc1cccs1 225557830 HAVLDIQDXDBTNP-UHFFFAOYSA-N 320.414 3.232 0 40 DGAB CCCOc1ccc(NC(=O)[C@@](C)(OCC)C2CC2)c(C)n1 225902326 PNHHDBNWJZNIMF-KRWDZBQOSA-N 306.406 3.323 0 40 DGAB Cc1cn(C)c([C@H]2CCCN(C(=O)c3sccc3C)C2)n1 257228491 FUCAIPMXQSIZHS-ZDUSSCGKSA-N 303.431 3.118 0 40 DGAB O=C(NCc1cccc(F)c1)c1ccc(-c2cncs2)nc1 257326227 WWJTXNOXFGUNJP-UHFFFAOYSA-N 313.357 3.274 0 40 DGAB CCCOCc1nn([C@H](C)CC)cc1I 408715813 FBQNQAJHGHTZCR-SECBINFHSA-N 322.190 3.385 0 40 DGAB CC(C)c1ccc(NC(=O)N2CC[C@@]3(CCCNC3)C2)cc1 567589212 FNDNWGOMWXLCHV-GOSISDBHSA-N 301.434 3.417 0 40 DGAB O=Cc1c(Cl)ccc(Cl)c1I 575695214 RXECTMCRSPKHQY-UHFFFAOYSA-N 300.910 3.411 0 40 DGAB CO[C@@H](CNc1ccccc1OCC(F)(F)F)[C@H]1CCOC1 583651164 ILDGQPCAOLDJCK-FZMZJTMJSA-N 319.323 3.091 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2nc3ccc(F)cc3o2)C1 1888904206 RKOXCKMYUAOFOY-ZDUSSCGKSA-N 313.332 3.328 0 40 DGAB Cn1c2ccccc2c2cc([C@@H]3N[C@@H](C(=O)O)CS3)ccc21 205071 ADSFHNHOOIYLNE-CZUORRHYSA-N 312.394 3.120 0 40 DGAB O=C(Nc1ccc(N2CCOCC2)c(Cl)c1)c1ccco1 271366 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LCIMSHQWGPEPAK-UHFFFAOYSA-N 321.405 3.361 0 40 DGAB COc1ccc(C)cc1CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 5313145 ZLAVMYYLDRFRCG-UGSOOPFHSA-N 316.401 3.004 0 40 DGAB O=C1CSC2=N[C@@H](c3ccccc3)C(c3ccccc3)=NN12 5604361 KJQNDYGNEQIZIJ-HNNXBMFYSA-N 307.378 3.077 0 40 DGAB CC[C@@H](NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O)c1ccc(C)cc1 6168554 QTSNAOXHHDBVOD-OWCLPIDISA-N 301.386 3.229 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1sc(C)nc1C 6366811 OYILGZNMJLCQOU-UHFFFAOYSA-N 319.382 3.328 0 40 DGAB C[C@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCO2 7242344 YADBOTCOGAIMOS-LBPRGKRZSA-N 324.380 3.343 0 40 DGAB O=S(=O)(NCc1cccc(Cl)c1)c1ccc(Cl)cc1 7375267 SAXUOXSFMBZVFF-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB COCCNCc1ccc(OCCc2ccccc2)c(OC)c1 7540224 WNEKNQXRARMKAK-UHFFFAOYSA-N 315.413 3.053 0 40 DGAB COc1ccc(CC(=O)NCCSCc2ccccc2)cc1 7642483 AUJMJLSQCASEDI-UHFFFAOYSA-N 315.438 3.287 0 40 DGAB CC[C@@H](CO)NCc1cccc(OCc2ccccc2F)c1 8326385 LLYQGHJMQQQHFU-INIZCTEOSA-N 303.377 3.265 0 40 DGAB CN(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 8936713 GQJMCIAVNLNODD-UHFFFAOYSA-N 305.381 3.300 0 40 DGAB CSc1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)cc1 9112151 CEDSIPBZUYBSSK-JXMROGBWSA-N 312.394 3.159 0 40 DGAB CCCC[C@H](CC)CNC(=O)CCNC(=O)c1ccccc1 10473900 XNNXJVKOAKECLM-HNNXBMFYSA-N 304.434 3.139 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)c2ccoc2)c(OC)c1 11584491 RITHTTAUBSQMMP-HNNXBMFYSA-N 301.342 3.274 0 40 DGAB CCCc1n[nH]c(S[C@@H](C)C(=O)Nc2ccc(CC)cc2)n1 14076206 UWAXQLCOYSHCIS-NSHDSACASA-N 318.446 3.439 0 40 DGAB O=C(COc1ccccc1Cl)Nc1ccc2nsnc2c1 15841215 VUSHGJZFFKLDAD-UHFFFAOYSA-N 319.773 3.362 0 40 DGAB Cc1cc(N2CCOCC2)nc(SCc2ccc(F)cc2)n1 16283938 GXEFFDMLISMTAB-UHFFFAOYSA-N 319.405 3.053 0 40 DGAB CCn1cncc1C(=O)Nc1ccc(-n2ccnc2C(C)C)cc1 19578524 VXWFPFSFBPCSBT-UHFFFAOYSA-N 323.400 3.464 0 40 DGAB COCCN1Cc2c(sc(C)c2C)N(C(=O)c2ccco2)C1 20192538 PPULSKSYZYALGR-UHFFFAOYSA-N 320.414 3.024 0 40 DGAB Cc1ccc(C(=O)c2cccc(CN3CCN(C)CC3)c2)cc1C 22028029 RQNGESCXCUOLNY-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB NCC[S@@](=O)c1c(-c2ccc(F)cc2)[nH]c2ccccc12 26422235 XXJHHCFFJKWMKZ-NRFANRHFSA-N 302.374 3.040 0 40 DGAB CCOc1ccc(-c2nc(NC(=O)COC)sc2C)cc1 28250376 WTBBYXAWJHRWOH-UHFFFAOYSA-N 306.387 3.102 0 40 DGAB CC[C@@H](CNC(=O)c1cc2ccccc2c(=O)[nH]1)c1ccccc1 30028518 FQNGUMYNEZOGCC-AWEZNQCLSA-N 320.392 3.452 0 40 DGAB C[C@@H]1Nc2ccc(C(=O)O)cc2N(C(=O)OC(C)(C)C)[C@@H]1C 35572137 QPPPNLHIKVCISK-VHSXEESVSA-N 306.362 3.329 0 40 DGAB CN(C)[C@H](CNC(=O)Cc1cccs1)c1ccccc1Cl 36090844 MXECHDSUXOVMOH-OAHLLOKOSA-N 322.861 3.363 0 40 DGAB CC(C)(C)c1nc2cc(N[C@@H]3CCCCNC3=O)ccc2o1 40086318 UQKNREBQJUFEPG-GFCCVEGCSA-N 301.390 3.206 0 40 DGAB Cc1cc(NC(=O)Cc2ccc(OC(F)(F)F)cc2)no1 40553404 IGCLGBDMQJZDLV-UHFFFAOYSA-N 300.236 3.063 0 40 DGAB CCN(C(=O)CSc1nc2cc(Cl)ccc2n1C)C1CC1 44050733 YMPDQOXCTQXXRQ-UHFFFAOYSA-N 323.849 3.330 0 40 DGAB Cc1ccc(CNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1F 44890874 UHUUTAQRUQRCPA-MRXNPFEDSA-N 313.328 3.052 0 40 DGAB O=C(/C=C/c1ccc2c(c1)OCO2)NCCSC1CCCC1 46450354 KIUPCNMTKJHSQX-SOFGYWHQSA-N 319.426 3.221 0 40 DGAB COC(=O)[C@@H](C)CN(C)Cc1csc(-c2ccsc2)n1 48335950 ROBFBHOBZLNKSS-JTQLQIEISA-N 310.444 3.113 0 40 DGAB CN(CCCc1ccccc1)CC(=O)Nc1ccc(Cl)cn1 48355890 REWTWVSHZXPLCK-UHFFFAOYSA-N 317.820 3.238 0 40 DGAB Cn1c(C(=O)NCCc2ccc(O)cc2)cc(Cl)c1Cl 48919030 YRHBWOGAPRQMBH-UHFFFAOYSA-N 313.184 3.010 0 40 DGAB CCCC(C)(C)NC(=O)c1cccc(CN2CCCC2=O)c1 50498209 JSKHNJOAPRTIEJ-UHFFFAOYSA-N 302.418 3.118 0 40 DGAB Cc1nccc(-c2cccc(NCC(=O)N3CCC[C@H](C)C3)c2)n1 57854238 OJMASFRXIGPKQZ-AWEZNQCLSA-N 324.428 3.122 0 40 DGAB COc1cc(C)c(N2C(=O)C3(CCCCC3)N=C2C)cc1OC 58017857 FFEDNSQCTKYVPK-UHFFFAOYSA-N 316.401 3.480 0 40 DGAB COc1ccc(C)cc1C(=O)CSc1nnc2ccccn12 58201919 QCQMTOHQVHZRHX-UHFFFAOYSA-N 313.382 3.021 0 40 DGAB CN(CCCOc1ccccc1)C(=O)CN(C)c1ccccc1 59371447 RKIWULJZEOSHKN-UHFFFAOYSA-N 312.413 3.050 0 40 DGAB CC1(C)CCCN1C(=O)c1ccc(OC[C@H]2CCCO2)cc1 65539308 IPGVFBPHUZNELC-MRXNPFEDSA-N 303.402 3.259 0 40 DGAB C[C@H](Sc1nnnn1CC(F)(F)F)c1ccc(F)cc1 69417228 DDBWPIYOFFYGIL-ZETCQYMHSA-N 306.288 3.228 0 40 DGAB O=C(c1sccc1C1CC1)N1CCN(Cc2ccco2)CC1 71835172 KCZUCAHXVMDKCH-UHFFFAOYSA-N 316.426 3.177 0 40 DGAB Fc1ccc(C2(c3nnc([C@@H]4CCCO4)o3)CCOCC2)cc1 71889919 RMKHQFDGQBSPDK-AWEZNQCLSA-N 318.348 3.157 0 40 DGAB O=C(O)c1cc2nccc(-c3ccc(Cl)cc3Cl)n2n1 72209404 OSDBYYLUMLCDKB-UHFFFAOYSA-N 308.124 3.401 0 40 DGAB CCOc1ccc(NC(=O)c2cc(-c3ccccc3O)n[nH]2)cc1 72238584 YLIHLQADQXAEPC-UHFFFAOYSA-N 323.352 3.433 0 40 DGAB C[C@H](NC(=O)N1CCC(CO)CC1)c1csc2ccccc12 72268286 WDYJKYKFJCCMLE-LBPRGKRZSA-N 318.442 3.376 0 40 DGAB CN(CCCNC(=O)c1cc(C(C)(C)C)on1)c1ccccc1 72297087 HUFAPMMGGNYCOB-UHFFFAOYSA-N 315.417 3.228 0 40 DGAB CC[C@@](C)(CCCNC(=O)Cc1ccccc1F)C1OCCO1 72306332 PCWLKRDINNLXFA-SFHVURJKSA-N 323.408 3.054 0 40 DGAB CS[C@H]1CC[C@H](N(C)CC(=O)Nc2cccc(C(C)=O)c2)C1 72794376 SBBRGULNOQNWHQ-HOTGVXAUSA-N 320.458 3.044 0 40 DGAB CCCCCNS(=O)(=O)c1ccc(OCC)c(Cl)c1 74935384 RRBWAZUBHFIUCZ-UHFFFAOYSA-N 305.827 3.207 0 40 DGAB COc1ccc(-n2ccc(C(=O)N(C)[C@H](C)C3(C)CC3)n2)cc1 75108009 BQLDIMRAWQXBNH-CYBMUJFWSA-N 313.401 3.142 0 40 DGAB CC(=O)Nc1cccc(CN(C)[C@@H](CCO)c2ccccc2)c1 75898570 JJQYMFWYRWELFB-IBGZPJMESA-N 312.413 3.201 0 40 DGAB CCOC(=O)c1nnc2ccccc2c1N(C)Cc1ccccc1 76018291 NDRMQMQMQFYHKZ-UHFFFAOYSA-N 321.380 3.443 0 40 DGAB O=C(CCOCC(F)(F)F)NC1(c2cccc(Cl)c2)CC1 76934312 FZOWWBCADIAMGR-UHFFFAOYSA-N 321.726 3.414 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 78407485 YQNNFJRWSVNLSU-NSHDSACASA-N 318.377 3.016 0 40 DGAB O=S(=O)(Cc1ccc(F)cc1)N[C@H]1CCCc2ccccc21 78529725 RTEXBUHDVKCNDS-KRWDZBQOSA-N 319.401 3.323 0 40 DGAB O=C(NCCc1nc(C(F)(F)F)cs1)N1CCCCCC1 80565908 MAHLBTSWNBPDDU-UHFFFAOYSA-N 321.368 3.290 0 40 DGAB Cc1cccn2cc(CSCc3nc(C4CC4)no3)nc12 84495576 LUISFPYOVLSLKK-UHFFFAOYSA-N 300.387 3.337 0 40 DGAB O=C(N[C@H]1CCN2CCCC[C@H]12)c1cc2ccc(Cl)cc2[nH]1 89780913 KXGIZQGQNHQYEE-XJKSGUPXSA-N 317.820 3.178 0 40 DGAB Cc1ccc(N2CC[C@H](N[C@H](C)CC(F)(F)F)C2=O)cc1 90101041 YQPMFXHGYVYJBP-YPMHNXCESA-N 300.324 3.031 0 40 DGAB CN(Cc1cnc2cnccn12)[C@H](c1ccc(F)cc1)C1CC1 93596567 KWVWJHRRMLAWED-SFHVURJKSA-N 310.376 3.452 0 40 DGAB CCC(=O)Nc1nnc(CCOc2cc(C)ccc2C)s1 95116414 QJIPRKMCVHDPCK-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB Cc1ocnc1C(=O)Nc1cc(-c2ccc(Cl)s2)[nH]n1 95441605 GDVKAWSTLDRCFU-UHFFFAOYSA-N 308.750 3.340 0 40 DGAB Fc1cc(N2CC[C@@H](NCc3cccnc3)C2)ccc1Cl 95448951 VERXKYXBUGDZCL-CYBMUJFWSA-N 305.784 3.243 0 40 DGAB Cc1ccnc([C@@H](NC(=O)c2ccc(Cl)s2)C2CC2)n1 95450834 RIUNTOHCXZJVCW-LBPRGKRZSA-N 307.806 3.381 0 40 DGAB CCO[C@@H]1C[C@@H](OC(=O)[C@@H]2CSCCS2)C12CCCC2 95455086 VGKLZTVBGKZOES-YNEHKIRRSA-N 316.488 3.116 0 40 DGAB CS[C@@H]1CCC[C@H](NS(=O)(=O)/C=C/c2ccccc2)C1 95960114 MPSIZMBTEWEWRR-KZGTWKPJSA-N 311.472 3.251 0 40 DGAB COc1ccccc1C[C@H](C)N(C)c1ccc2nccnc2n1 95962018 MBJLAMKFPVSQRL-ZDUSSCGKSA-N 308.385 3.101 0 40 DGAB C[C@H](NC(=O)C1CCC1)C(=O)N[C@H]1CCCC[C@@H]1C(C)(C)C 95975596 YYZRYUPTWHKZOC-QEJZJMRPSA-N 308.466 3.012 0 40 DGAB O=C(CCc1nc[nH]n1)Nc1ccccc1Nc1ccccc1 95992142 MIHASDDSFJCCFE-UHFFFAOYSA-N 307.357 3.120 0 40 DGAB CC1(C)[C@@H](OC(=O)c2ccco2)C[C@H]1OC(=O)c1ccco1 95997345 HHEXKJOKLFEHTD-BETUJISGSA-N 304.298 3.054 0 40 DGAB C[C@@H](CNC(=O)NC[C@@H](C)c1nccs1)c1cccs1 96013809 BIAKGAFZVSKYLS-WDEREUQCSA-N 309.460 3.411 0 40 DGAB CC[C@H](C)C[C@H](C)NC(=O)Nc1cnn(CC(F)(F)F)c1 96435024 PHAOTOPUMYDOIQ-UWVGGRQHSA-N 306.332 3.392 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1cccc(NC(=O)CC)c1 96450610 VYMPMWHDHFZIIE-LSDHHAIUSA-N 320.458 3.439 0 40 DGAB CCS[C@H]1CC[C@H](NCc2cn(C)nc2-c2ccncc2)C1 96494381 IOQDONBRAXOLRI-HOTGVXAUSA-N 316.474 3.246 0 40 DGAB O[C@H](CN1C[C@H]2CC=CC[C@@H]2C1)c1cccc(Br)c1 97002813 PSLKCLXFJFHQAP-IIAWOOMASA-N 322.246 3.381 0 40 DGAB COCc1nc(CSc2ncc(-c3ccc(F)cc3)[nH]2)no1 97053044 IHDYPXMCXMEHST-UHFFFAOYSA-N 320.349 3.038 0 40 DGAB CCc1nn(C)c(CC)c1CNc1nnc(-c2ccoc2C)o1 97114422 KSJCOFCBTWRIKM-UHFFFAOYSA-N 315.377 3.108 0 40 DGAB Cc1cccc2c(CCNC(=O)Nc3ccncc3F)c[nH]c12 97135682 ZQDXOLVLTOZKHX-UHFFFAOYSA-N 312.348 3.375 0 40 DGAB COC(=O)/C(=C\c1cnc(-c2cccnc2)s1)c1ccncc1 98018909 CCSPAZIHJFYNOR-DHDCSXOGSA-N 323.377 3.314 0 40 DGAB CC[C@@H](NC(=O)[C@H]1[C@@H](C(=O)O)[C@H]2C=C[C@H]1C2)c1ccc(C)cc1 100555482 FPVOCSBUPCPYRH-SIRPWMCASA-N 313.397 3.085 0 40 DGAB Cc1nn(CCC(=O)N[C@@H](C)[C@@H]2C[C@@H]3CC[C@@H]2C3)c(C)c1Cl 101616190 MZLJWZPEGTVBHN-QOWREQOWSA-N 323.868 3.484 0 40 DGAB C[C@@H](NC(=O)c1ccccc1-n1cccn1)[C@@H]1C[C@H]2CC[C@H]1C2 105668297 XQUQYJXZBKUKAX-AESZEHBQSA-N 309.413 3.427 0 40 DGAB CCn1cnnc1[C@@H]1CCCN(C(=O)c2csc(Cl)c2)C1 191350014 YFJKEOGKGVZFGT-SNVBAGLBSA-N 324.837 3.033 0 40 DGAB Cc1nc(CS(=O)(=O)c2cc(C)c3ccccc3n2)cs1 195071577 KMOJNYRZDFYKEC-UHFFFAOYSA-N 318.423 3.282 0 40 DGAB CC(C)(C)[C@@H](NC(=O)[C@H]1CC12CCNCC2)c1ccc(F)cc1 195530202 VOHWKXDHOGYRFR-CVEARBPZSA-N 318.436 3.419 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)NC(C)C 222410524 VZLCDUKYAKUURJ-MRXNPFEDSA-N 304.434 3.037 0 40 DGAB Cc1cc(NC(=S)NC(C)(C)C)ccc1N1CCCC1=O 225275271 YHSOKEDLUZTBAH-UHFFFAOYSA-N 305.447 3.207 0 40 DGAB NC(=O)N[C@@H](Cc1nc(C2CCCCC2)no1)c1ccccc1 225386525 OKRPTBCFBZHLMG-AWEZNQCLSA-N 314.389 3.069 0 40 DGAB CN(Cc1ccccc1)c1ccc(C(=O)N2CCCC2)cc1N 225436741 TXGYMYBCNZCBJZ-UHFFFAOYSA-N 309.413 3.141 0 40 DGAB CC(C)[C@@H]1CC[C@]2(C)C[C@@H]3[C@H](CO)C[C@H](O)[C@@H]3[C@](C)(O)CC=C12 252505766 MSKFOQCDNOFJAT-KKRWNIPXSA-N 322.489 3.135 0 40 DGAB biogenic,in-vitro COC(=O)c1cc(C)c(OC(=O)c2ccccc2F)c(C)c1 256050632 FWWXDDHWMOTLTF-UHFFFAOYSA-N 302.301 3.448 0 40 DGAB Cc1ccnc([C@@H]2CCN(CCCOc3ccccc3F)C2)n1 257226058 FIYGJPRVOWQJNA-OAHLLOKOSA-N 315.392 3.183 0 40 DGAB Cc1ccnc([C@@H]2CCN(C(=O)c3cc4cccc(F)c4[nH]3)C2)n1 257281393 OOYRAWVDRCDIGP-CYBMUJFWSA-N 324.359 3.035 0 40 DGAB CO[C@](C)(C(=O)N[C@H](C)c1ncccc1F)c1ccccc1F 585087974 FDFARJVGOPTWDB-DIFFPNOSSA-N 320.339 3.099 0 40 DGAB CS[C@@H](C)Cc1nc(-c2ccncc2Br)no1 585120403 LRBBZUUWGOAGTI-ZETCQYMHSA-N 314.208 3.188 0 40 DGAB CO[C@H]1CCCN(C(=O)c2cccnc2C)[C@H]1Cc1ccccc1 585268868 BWHJKULLXKWJQE-OALUTQOASA-N 324.424 3.252 0 40 DGAB CCOC(=O)C[C@H](n1nc(C(F)F)cc1C)C(F)(F)F 685936595 JFILWIYABDBYCC-QMMMGPOBSA-N 300.227 3.186 0 40 DGAB CC(C)(C)n1ncc(N2CCC[C@H]2C2CCC2)c(Cl)c1=O 1515445539 UVQLROOLNKYWAP-LBPRGKRZSA-N 309.841 3.421 0 40 DGAB C[C@@H]1Nc2ccc(CN3C(=O)c4ccccc4C3=O)cc2[C@H]1C 2298092138 FVDKDYKMIDIVEI-RYUDHWBXSA-N 306.365 3.400 0 40 DGAB C[C@@H](Nc1ncnc2sccc12)c1ccc2[nH]c(=O)[nH]c2c1 47538347 WFVXONOPYGXEPA-MRVPVSSYSA-N 311.370 3.034 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(N)s2)c(C)c1 342039 UOSNMRWSMADICK-JTQLQIEISA-N 322.459 3.165 0 40 DGAB C[C@@H](c1cccs1)N(C)Cc1nc2ccccc2n(C)c1=O 97201575 LYQISUMLDRVWGA-LBPRGKRZSA-N 313.426 3.188 0 40 DGAB C[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)cc1 78898204 TUIGPYDRXPCELE-MLGOLLRUSA-N 306.837 3.077 0 40 DGAB CCCc1cc(C(=O)N(C)[C@H](C)c2ccccc2OC)[nH]n1 25112853 RBQWEUPBFATZKG-GFCCVEGCSA-N 301.390 3.204 0 40 DGAB Cc1cc(C)cc(NC(=O)COC(=O)c2ccc(F)cc2)c1 3510853 WVPAJFRRPAHPBW-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(Nc1ccc(-c2nnc3n2CCCCC3)cc1)C1CCC1 3550719 JOYJKKUKUFVXMI-UHFFFAOYSA-N 310.401 3.410 0 40 DGAB COc1ccc(CC(=O)Nc2nnc(SC(C)C)s2)cc1 7319466 FGUJPRHOMDXFGU-UHFFFAOYSA-N 323.443 3.228 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)C=C(C1CC1)C1CC1 57223640 DMXGTXLXJSYVQR-UHFFFAOYSA-N 308.385 3.261 0 40 DGAB O=C(NCc1nc(C2CC2)no1)[C@@H]1C[C@H]1c1cccc(Cl)c1 84367574 OXWJRVKYTXICKK-QWHCGFSZSA-N 317.776 3.020 0 40 DGAB CC(=O)Nc1ccc(N[C@@H](C(=O)NC2CC2)c2ccccc2)cc1 12556382 IXQFLTVYNZMUHL-GOSISDBHSA-N 323.396 3.077 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CN(C)C(=O)c1ccc[nH]1 57897470 UJNILOLCHOCFON-UHFFFAOYSA-N 308.385 3.089 0 40 DGAB C[S@](=O)Cc1cccc(NCc2c[nH]nc2C(C)(C)C)c1 95429166 WJKBMLUQANPIQX-OAQYLSRUSA-N 305.447 3.198 0 40 DGAB CCOC(=O)CCCCC(=O)c1ccccc1CN1CCC1 2515648 LZDVIBUOCPJGJC-UHFFFAOYSA-N 303.402 3.199 0 40 DGAB O=C(O)C[C@H](NC(=O)OCc1ccccc1)c1ccccc1F 2511973 JXLVFSVXIZGSCT-HNNXBMFYSA-N 317.316 3.268 0 40 DGAB c1cc2c(s1)CCC[C@H]2NCCc1nnc2n1CCCCC2 95419800 XSVFOFORDNFKBB-CQSZACIVSA-N 316.474 3.276 0 40 DGAB C[C@@H]1CCc2c(sc(NC(=O)C3CCCC3)c2C(N)=O)C1 2749050 WHXYLSPRAGLDDA-SECBINFHSA-N 306.431 3.101 0 40 DGAB CCCn1cc(NC(=O)c2cn(CC)c3ccccc23)ccc1=O 47230998 HEOSUTRNIRFUEJ-UHFFFAOYSA-N 323.396 3.485 0 40 DGAB CC(C)c1n[nH]c(S[C@@H](C)C(=O)NCCC2=CCCCC2)n1 12750485 OHUDZUUXXQJKNZ-LBPRGKRZSA-N 322.478 3.415 0 40 DGAB CC(C)[C@@H]1C[C@@H](CNc2cccc(-c3nc[nH]n3)c2)CCO1 95994935 RXLQMUGXJXNVAG-BBRMVZONSA-N 300.406 3.335 0 40 DGAB COc1ccc(CCOC(=O)c2cccc(NC(C)=O)c2)cc1 3545516 RYESEHFLEMPPSJ-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB COc1cccc(CNC(=O)c2ccc(CSC)cc2)c1 3534386 KNYNGXWKOWFYAX-UHFFFAOYSA-N 301.411 3.488 0 40 DGAB Cc1cncc(NC(=O)NCc2ncc(-c3ccccc3)[nH]2)c1 96007975 GSLHJJUHPWGKKZ-UHFFFAOYSA-N 307.357 3.102 0 40 DGAB OC1=Nc2c(cnn2Cc2ccccc2)[C@@H](c2cccnc2)C1 49550363 GPMNLDGYQLGKGG-OAHLLOKOSA-N 304.353 3.450 0 40 DGAB COc1cccc(-c2nnc(NC(=O)c3ccco3)s2)c1 9289709 YOZFGLKKWRCSRB-UHFFFAOYSA-N 301.327 3.059 0 40 DGAB Cc1cccc(C(=O)OCc2nc3ccccc3nc2C)c1O 39611472 LBCNPYREUHMGMV-UHFFFAOYSA-N 308.337 3.309 0 40 DGAB CCCCCN(Cc1nc(O)c2cnn(C)c2n1)[C@H](C)CCC 65412871 AGTFUBGOMQOLIJ-CYBMUJFWSA-N 319.453 3.250 0 40 DGAB C[C@@H](CCc1ccccc1)NCCNC(=O)c1cccs1 4498189 WMOLIDUEDBXBTA-AWEZNQCLSA-N 302.443 3.089 0 40 DGAB CC[C@@H](NC(=O)C[C@H]1CCCO1)c1nc(-c2ccccc2)c[nH]1 65554075 AENRFYBNXVIGJO-HUUCEWRRSA-N 313.401 3.213 0 40 DGAB CSc1nsc(NC(=O)c2ccc(F)cc2Cl)n1 71794668 QEKAIFICEAVFQR-UHFFFAOYSA-N 303.771 3.305 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)[C@@H]1CCn2cncc2C1 96486763 ZDGNJFJWFZIVTB-CYBMUJFWSA-N 324.409 3.208 0 40 DGAB COc1ccc(C)cc1S(=O)(=O)N1CCC[C@H]2CCCC[C@@H]21 7687932 RJXOKTQFUBBDIW-CABCVRRESA-N 323.458 3.347 0 40 DGAB COc1ccc(C(C)=O)cc1CC(=O)N1CCc2ccccc21 7717468 MGXZQFAYFZTHRY-UHFFFAOYSA-N 309.365 3.030 0 40 DGAB CCCCNC(=O)Nc1cccc2c1CCCN2C(=O)C1CC1 71903647 LSKXBNZFKUCJTJ-UHFFFAOYSA-N 315.417 3.297 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2c(C)nn(CC)c2C)cn1 69489549 PGSKOPIQTAULGQ-UHFFFAOYSA-N 315.421 3.013 0 40 DGAB CC(C)(C)c1nsc(NC(=O)CSCc2ccncc2)n1 69536158 MIYQZUGFYKNCNV-UHFFFAOYSA-N 322.459 3.103 0 40 DGAB O=C1c2ccccc2N[C@H](c2cc[nH]n2)N1c1ccc(F)cc1 69620597 CWTZXEBQDHDRJA-INIZCTEOSA-N 308.316 3.320 0 40 DGAB C[C@@H](CNC(=O)Nc1cccc2ccccc12)Cn1ccnc1 69845699 FQEZMALMCDRSCH-AWEZNQCLSA-N 308.385 3.494 0 40 DGAB COc1ccc(CNC(=O)c2cn(C)c3ccccc23)cc1OC 8720773 RQQKWICXJFBHRY-UHFFFAOYSA-N 324.380 3.126 0 40 DGAB O=C(CCc1ccc(Cl)cc1)N1CC[C@@H](CN2CCCC2)C1 89783547 RVOOQHCLRIDBLS-INIZCTEOSA-N 320.864 3.217 0 40 DGAB CCCCc1cc(C[C@@H]2C[C@H](NC(=O)NCC)C2(C)C)no1 67889853 GPDSOEAFKYYNFE-DOMZBBRYSA-N 307.438 3.294 0 40 DGAB biogenic,in-vitro O=C(O)CCCC(=O)NN1c2ccccc2CCc2ccccc21 219952 DSBWFXLBQXYTRQ-UHFFFAOYSA-N 324.380 3.209 0 40 DGAB biogenic COCCN(Cc1ccco1)C(=O)Nc1cccc2[nH]ccc12 78441412 IUFZJVMAHWSVDA-UHFFFAOYSA-N 313.357 3.441 0 40 DGAB Cn1cc(C(=O)Nc2ccc(Cl)cc2C(F)(F)F)cn1 74716981 KVDKCNYFZXODOO-UHFFFAOYSA-N 303.671 3.345 0 40 DGAB Cc1sc(C(=O)OCCC(C)(C)C)cc1CS(C)(=O)=O 121569953 BZVAZENHTZTHCM-UHFFFAOYSA-N 318.460 3.194 0 40 DGAB CC(=O)c1cc(-c2ccnc(N3CCCCC3)n2)c(C)nc1C 30874218 BYHRVUGLLDXDDI-UHFFFAOYSA-N 310.401 3.348 0 40 DGAB Cn1cccc1CN(C(=O)Nc1c(F)cccc1F)C1CC1 62018346 AQJPWIZPOPYMLF-UHFFFAOYSA-N 305.328 3.500 0 40 DGAB COCCOCCC(=O)Nc1cccc(Nc2ccccc2)c1 79310313 POSFBXQTXMOZSA-UHFFFAOYSA-N 314.385 3.422 0 40 DGAB CCOC(=O)c1cc(NC(=S)NCC(C)C)ccc1Cl 225276150 MQFHNRAVFJHZQB-UHFFFAOYSA-N 314.838 3.459 0 40 DGAB COc1ccc(C[S@@](=O)Cc2nc(C)c(C)o2)cc1Cl 195558248 ITVSDBAFNNXXRG-HXUWFJFHSA-N 313.806 3.402 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)c1ccc2ccccc2c1 224246859 UYGFPEGTHOGXKR-UHFFFAOYSA-N 318.380 3.482 0 40 DGAB Cc1ccc(C(=O)c2ccccc2I)cn1 45029069 NNJXLDDIAZWHMR-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCOC(=O)c1cc(NC(=O)[C@](C)(CC)OCC)ccc1OC 225816622 ODHSBLSAWJBKKH-KRWDZBQOSA-N 323.389 3.016 0 40 DGAB CCC(=O)N(Cc1ccccc1Cl)[C@H](CC)C(=O)NC(C)C 222552547 IQPGDMYOCFQPGR-OAHLLOKOSA-N 324.852 3.382 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@H](CC)C(=O)N[C@H](C)CC 225525249 IXGAKHWIWZPOQC-NVXWUHKLSA-N 318.461 3.427 0 40 DGAB CC[C@@H](Oc1cccc(C)c1)C(=O)Nc1nnc(SC)s1 224265395 LTTYQHFLAJWKDY-LLVKDONJSA-N 323.443 3.365 0 40 DGAB CCOC(=O)c1nc(-c2ccccc2C(F)(F)F)ns1 199565767 KVAWSJSVWYZLBK-UHFFFAOYSA-N 302.277 3.401 0 40 DGAB CCC(C)(CC)NC(=O)c1ccc(Cl)c(N2CCNC2=O)c1 96431053 HYWNZCFSGHFJPT-UHFFFAOYSA-N 323.824 3.178 0 40 DGAB CO[C@@H]1CC2(CCN([C@H]3CCOC3)CC2)c2cc(F)ccc21 96241660 VYRVGMIVYHDGCN-WMLDXEAASA-N 305.393 3.039 0 40 DGAB COCc1nn(C(C)C)c2c1CCN(Cc1cccs1)C2 96058977 KQZIMOGHGHDHEP-UHFFFAOYSA-N 305.447 3.230 0 40 DGAB CS(=O)(=O)CCCCSc1ncc(-c2ccccc2)o1 96469535 POLPMXGGQJWHST-UHFFFAOYSA-N 311.428 3.259 0 40 DGAB c1csc(CN2CCO[C@@H]3[C@H](Cn4cccc4)CC[C@H]32)c1 96055342 WMPMQDGVPGSFNJ-USXIJHARSA-N 302.443 3.229 0 40 DGAB CCS[C@H]1CC[C@H](NC(=O)c2cc(F)c(F)c(O)c2F)C1 97374645 ZSEOKAWGUFAAIW-YUMQZZPRSA-N 319.348 3.214 0 40 DGAB CO[C@@H]1CCN(Cc2c(C)noc2C)C[C@@H]1Cc1ccccc1 96110152 XXXCGENUPPUXQP-PKOBYXMFSA-N 314.429 3.371 0 40 DGAB CCS[C@H]1CCC[C@H]1NC(=O)c1cc(NC(C)=O)ccc1F 96450472 RFAZMOABHZHMFR-CABCVRRESA-N 324.421 3.188 0 40 DGAB CCOC[C@H]1CN(Cc2ccco2)Cc2nn(CC3CC3)cc21 96060467 JNTAWYMDZMKISH-OAHLLOKOSA-N 315.417 3.022 0 40 DGAB Cc1nc(CO[C@H]2CO[C@@]3(CCN(CC4CCC4)C3)C2)cs1 96072408 IXBCUGMTJCVEON-SJORKVTESA-N 322.474 3.002 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N[C@H]2CCC[C@H]2CO)c1 245358627 ZYEVOKMUACRMIH-ZLDLUXBVSA-N 308.447 3.393 0 40 DGAB Cc1cn[nH]c1[C@H]1CCN(C(=O)Cc2ccc3c(c2)CCCC3)C1 257211770 CAHUNAWRAAGMOK-SFHVURJKSA-N 323.440 3.156 0 40 DGAB Cc1cc(C=O)cc(C)c1OS(=O)(=O)c1ccc(F)cc1 256054503 WPLDTPKPLACTLC-UHFFFAOYSA-N 308.330 3.023 0 40 DGAB CCC(F)(F)CN1CCC(C(=O)Nc2ccccc2O)CC1 585120869 RQUBRODBYOEHGR-UHFFFAOYSA-N 312.360 3.088 0 40 DGAB c1cncc(OCC[C@H]2CN(C3CCCC3)Cc3ccnn32)c1 253588908 YQVLHDWEXDBJMI-KRWDZBQOSA-N 312.417 3.047 0 40 DGAB CCN1CCC(N2CCC(C)(c3ncc(C)s3)CC2)CC1 257276482 NTXMLAKHSXGYTE-UHFFFAOYSA-N 307.507 3.289 0 40 DGAB O=C(c1cccc(F)c1F)N1CC[C@H](Cc2nccs2)C1 257317701 VKVFRTQBSUFCOY-SNVBAGLBSA-N 308.353 3.126 0 40 DGAB C[C@@H]1CC[C@H](NCc2ccc(CS(C)(=O)=O)cc2)C[C@H]1C 252585136 GKHHNHMTTRLLJF-CPUCHLNUSA-N 309.475 3.146 0 40 DGAB CCc1noc(C[S@](=O)Cc2cccc3ccccc23)n1 64823003 OFFJQQZDUWNREX-NRFANRHFSA-N 300.383 3.234 0 40 DGAB O=C(O)[C@@H](CC(=O)N1CCCc2ccccc2C1)c1ccccc1 634904012 DKGOLKSSCOENBD-SFHVURJKSA-N 323.392 3.220 0 40 DGAB CO[C@H](CNC(=O)NCc1cccs1)c1cccc(F)c1 96388840 RBNHINMROATUNY-CQSZACIVSA-N 308.378 3.074 0 40 DGAB CC(=O)Nc1nc([C@@H]2CCCCN2Cc2cc(C)on2)cs1 585268810 ZEOUDLPHOPDJFG-AWEZNQCLSA-N 320.418 3.125 0 40 DGAB O=C(Nc1cnsn1)N(Cc1cccc(F)c1)C1CCC1 931394811 SSECOOKEDDZGBC-UHFFFAOYSA-N 306.366 3.264 0 40 DGAB NC(=O)[C@@H](NCc1ccccc1OC1CCCC1)c1ccccc1 56195712 UIABVEGASSYYAG-IBGZPJMESA-N 324.424 3.324 0 40 DGAB CC(C)(C)[C@H](O)CCNC(=O)c1ccc(C(F)(F)F)cc1 75157757 JLLJNXBJQVRHEK-GFCCVEGCSA-N 303.324 3.232 0 40 DGAB CCn1c(SCc2cnc(C)s2)nc2ccccc2c1=O 40556316 KNZRDBFSPUAFRJ-UHFFFAOYSA-N 317.439 3.474 0 40 DGAB C[C@@H]1C(=O)N2CCCc3cc(NC(=O)c4ccc(F)cc4)cc1c32 5153666 GHOVTERLYAMNOM-NSHDSACASA-N 324.355 3.474 0 40 DGAB Cc1cccc(N2CCN(C(=O)Cc3cccs3)CC2)c1C 5571251 VTKMMAVPIBRGNG-UHFFFAOYSA-N 314.454 3.256 0 40 DGAB O=C(Nc1cccc(Cl)c1)N[C@@H](Cc1ccccc1)C(=O)O 5603575 HSXSFZLTONQYOM-AWEZNQCLSA-N 318.760 3.157 0 40 DGAB CC(C)/N=c1\ccccn1C(=O)COc1ccc(Cl)cc1 11374269 VLFPXFDFOKFLER-OBGWFSINSA-N 304.777 3.170 0 40 DGAB C[C@@H]1CCC[C@@H](C)N1C(=O)c1cc(N)cc(Br)c1 165143485 JABDRWNZLICRCQ-NXEZZACHSA-N 311.223 3.434 0 40 DGAB CC1(C)COc2cc(NC(=O)C3CCCC3)ccc2NC1=O 8959170 PPXUAHRMBZPIGF-UHFFFAOYSA-N 302.374 3.172 0 40 DGAB CC(C)c1nc2ccccc2n1C1CN(CC2CCOCC2)C1 1888850339 DMDNAEIKOIABSO-UHFFFAOYSA-N 313.445 3.443 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)c1 24772953 CTKIXPRBVUTELD-MRXNPFEDSA-N 312.369 3.200 0 40 DGAB CCOC(=O)Cc1csc(NC(=O)Nc2ccc(F)cc2)n1 154974 YNQFUQYAIBVKIB-UHFFFAOYSA-N 323.349 3.032 0 40 DGAB CSc1ccccc1C(=O)Nc1nnc(-c2ccco2)o1 4517440 ALVBRDXSFPQFBD-UHFFFAOYSA-N 301.327 3.304 0 40 DGAB O=C(NCCc1ccc(N2CCCC2)cc1)c1ccc(F)cc1 16847198 SYJSRSVKKCQUSA-UHFFFAOYSA-N 312.388 3.398 0 40 DGAB CC(C)Oc1ccc(C(=O)Nc2ccc3c(c2)CC(=O)N3C)cc1 17113566 OCCRXJXYZZBSCO-UHFFFAOYSA-N 324.380 3.245 0 40 DGAB CC(=O)OC(C)(C)C(=O)c1ccccc1OC(F)(F)C(F)F 575361162 SALRYSPFGOABQJ-UHFFFAOYSA-N 322.254 3.448 0 40 DGAB Cc1cncc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 80299452 MDZFRZGBPLWEMJ-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB C[C@H]1CN(c2ccc(NC(=O)N(C)CC3CC3)cc2)C[C@@H](C)O1 50079892 OVGFVRBNQBOPMR-OKILXGFUSA-N 317.433 3.174 0 40 DGAB Cc1cc(C)cc(C(=O)NCCN2CCc3ccccc3C2)c1 30363301 ZXSYJFLPHJUBFU-UHFFFAOYSA-N 308.425 3.092 0 40 DGAB COCCNc1nc(-c2ccc3c(c2)CCCC(=O)N3)cs1 30446877 SBJWELWDURZYHA-UHFFFAOYSA-N 317.414 3.143 0 40 DGAB Cc1cc(C)nc(NS(=O)(=O)c2ccc(Cl)s2)c1 270071 LJPFLBCBONCBKS-UHFFFAOYSA-N 302.808 3.214 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)NCc1ccc(Cl)cc1 32667872 KQHFQCJKWQFANY-MEDUHNTESA-N 317.772 3.185 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)N[C@H]1C[C@H]2CC[C@@H]1C2 555657 XPRKLRRZRRYZIW-BJJXKVORSA-N 320.392 3.105 0 40 DGAB COc1ccc2c(C)nc(Nc3nc(C)c(C)c(C)n3)nc2c1 507209 PNTMXKIEMLZJGU-UHFFFAOYSA-N 309.373 3.406 0 40 DGAB O=C(CCOc1ccccc1)NCCCc1nc2ccccc2[nH]1 22488216 OYJKXDXJXXKWDC-UHFFFAOYSA-N 323.396 3.081 0 40 DGAB O=C(Nc1cccc(O)c1)[C@@H]1CC(c2ccccc2Cl)=NO1 814983 ICQHEFSLSYZUBN-HNNXBMFYSA-N 316.744 3.177 0 40 DGAB COc1cccc(CNC(=S)Nc2ccccc2)c1OC 282162 PDWREUNBOLGJSO-UHFFFAOYSA-N 302.399 3.190 0 40 DGAB CC[C@@H](C)NC(=O)c1cc2nc(-c3ccccc3)cc(C)n2n1 317984 CWXHBQHYAWUPQJ-GFCCVEGCSA-N 308.385 3.233 0 40 DGAB CCn1nc(C)c(CNC(=O)N(C2CC2)[C@H](C)C(C)C)c1C 95409935 IEHWOPRJRAPXOE-CYBMUJFWSA-N 306.454 3.238 0 40 DGAB COc1cccc(CO[C@@H](C)C(=O)Nc2ccnn2C(C)C)c1 43010562 BEHINMQKWAAZGY-ZDUSSCGKSA-N 317.389 3.016 0 40 DGAB CC(C)OC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 3195999 WQQSSQZKCFJXRH-UHFFFAOYSA-N 309.321 3.052 0 40 DGAB CC(C)N1C(=O)CS[C@@H]1c1ccc(Br)cc1 1093381 AQHDKEWXJWMWDC-GFCCVEGCSA-N 300.221 3.432 0 40 DGAB CCc1cc(=O)oc2c3c(ccc12)OCN(Cc1ccco1)C3 55393790 OWKHDOBOPCKYET-UHFFFAOYSA-N 311.337 3.301 0 40 DGAB biogenic Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCC[C@H](C)C1 2778720 QKZFBHQDFFLCPC-GXSJLCMTSA-N 303.328 3.030 0 40 DGAB O=C(c1ccc(Oc2ccccc2)nc1)N1CCO[C@@H]2CCC[C@H]21 56197217 VLDFTTNNEZMFRA-IAGOWNOFSA-N 324.380 3.267 0 40 DGAB CO[C@@H]1CCC[C@@H](OC(=O)c2ccc([S@@](=O)C(C)C)cc2)C1 107358143 SEPGYKWQSGDRQX-DOQJBMMISA-N 324.442 3.317 0 40 DGAB O=C(NCc1cccnc1)N1CCC[C@H]1CCc1ccccc1 56780452 XDHNJCQJZGTRML-SFHVURJKSA-N 309.413 3.388 0 40 DGAB COC(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 6153714 UTPRZDFLQLNZRK-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)Cc1ccccc1F 7644012 ZPXWVAISDVTEBZ-UHFFFAOYSA-N 314.360 3.147 0 40 DGAB Cc1cccc(N2CCN([C@@H](C)C(=O)Nc3ccccc3)CC2)c1 57358583 XSUGRUQJGGUBDP-KRWDZBQOSA-N 323.440 3.144 0 40 DGAB Cc1ccc(OCCC(=O)Nc2c(C)nn(C)c2C)cc1C 44670613 LGAYCVIKYFPJFC-UHFFFAOYSA-N 301.390 3.061 0 40 DGAB CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)c1cccs1 10029889 ZFTCKXBDZNLXEL-LLVKDONJSA-N 317.366 3.135 0 40 DGAB CCc1oc2ccccc2c1/C=C/C(=O)NC1=NCCS1 10219924 VILLPZRTHMXALY-BQYQJAHWSA-N 300.383 3.227 0 40 DGAB Cc1cc(CN(C)C(=O)c2sccc2Br)no1 44949805 HNCXJQNISKYUPP-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB COc1ccccc1N1CC[C@H](CNC(=O)CC2CCCC2)C1 58326628 YGCNTYHPMPWNCE-MRXNPFEDSA-N 316.445 3.218 0 40 DGAB CCc1ccc(C(=O)O)cc1S(=O)(=O)Nc1ccc(C)cc1 58518480 RVFXKLKXSWMBDK-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB CCCCN[C@@H]1CC(=O)N(c2ccc(Cl)c(Cl)c2)C1=O 2329878 XOTJFMZTVQIAOX-GFCCVEGCSA-N 315.200 3.015 0 40 DGAB CCN(C(=O)[C@@H]1Cc2ccccc2C(=O)O1)c1cc(C)ccc1C 45517135 IQCUKBOBMVVHEQ-SFHVURJKSA-N 323.392 3.438 0 40 DGAB CCn1nnnc1SCc1cc(-c2ccc(Cl)cc2)no1 12773231 XGDQIYJARBYMMN-UHFFFAOYSA-N 321.793 3.294 0 40 DGAB O=C(CCc1ccc(F)cc1)Nc1ccc2c(c1)OCCO2 25375085 DJUPTLAEVJSGFM-UHFFFAOYSA-N 301.317 3.168 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N)c1ccccc1O2 51943388 RHRIIQVZXVYVIE-CQSZACIVSA-N 318.417 3.239 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2c(F)cccc2F)cc1 3388325 HZGABUHQPDJWPX-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C(=O)CSc2ncnc3ccccc23)C1 3322240 RWSWIEBZKVCNAY-CHWSQXEVSA-N 315.442 3.226 0 40 DGAB Cn1ccnc1SCCC(=O)Nc1cccc2cccnc12 48303370 LFNSKOAAJHCYHU-UHFFFAOYSA-N 312.398 3.089 0 40 DGAB COc1ccc(-c2nnc(S[C@@H]3CCCCC3=O)o2)cc1 3445169 KXAXGXNEGRBXJF-CYBMUJFWSA-N 304.371 3.349 0 40 DGAB O=C(Nc1ccccc1-n1cncn1)c1ccc(Cl)cc1F 12933703 NRUALXKLMCOETE-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB CN(C(=O)c1ccc2c(c1)OCO2)c1nc2ccccc2s1 13005728 ZLZZYRALZQXXRG-UHFFFAOYSA-N 312.350 3.302 0 40 DGAB Cc1ccc(C(=O)NCCc2cnc(-c3ccccc3)[nH]2)cc1 13607276 UZBBQCVDWDPESE-UHFFFAOYSA-N 305.381 3.358 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)c3ccccc3F)cc2c1 13788255 OQDWDLHKIJZWNK-UHFFFAOYSA-N 324.355 3.248 0 40 DGAB CN1CC[C@@H](CN(C)C(=O)Nc2ccccc2C(F)(F)F)C1 65534645 QMYHNQJJMMROIT-LLVKDONJSA-N 315.339 3.121 0 40 DGAB COc1ccccc1-c1ccc(=O)n(Cc2ccccc2F)n1 5396814 FFLXTVHPCZPJPM-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB CON(C)C(=O)c1ccc(Cl)c(NC(=O)c2cccs2)c1 14183148 AUNNVKBOCMKEIG-UHFFFAOYSA-N 324.789 3.287 0 40 DGAB C/C=C/c1cc(C(=O)NCc2ccco2)cc(OC)c1OC 9315462 VBAQFBNNTMIEOB-GQCTYLIASA-N 301.342 3.260 0 40 DGAB O=c1[nH]c2c(s1)[C@H]1c3cc(Cl)ccc3OC[C@H]1CS2 4540113 RATQJCFBIKCPOR-QUBYGPBYSA-N 311.815 3.336 0 40 DGAB CCN(CC)CCn1c2ccccc2n2c(C(C)=O)c(C)nc12 5454042 DOUUUERNMPTHEU-UHFFFAOYSA-N 312.417 3.142 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(Cl)nc2)[C@H](c2ccccc2)CO1 96433386 XANSTMYTUVWILP-WFASDCNBSA-N 316.788 3.337 0 40 DGAB COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Sc2ccccn2)c1C 7699717 QYDGEINZCGQJEB-LLVKDONJSA-N 318.398 3.177 0 40 DGAB O=C(c1occc1-c1ccccc1)N1CCC[C@H]1Cn1cccn1 71866373 PLAGLCSIBNZWJK-INIZCTEOSA-N 321.380 3.448 0 40 DGAB COc1cc(NC(=O)Cc2cc(C)ccc2OC)cc(OC)c1 8060891 XGSIVYUOPNBMPZ-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)C[C@@H]1CCCc2ccccc21 71888257 BPXWRIUVPZPBOU-RDJZCZTQSA-N 301.430 3.382 0 40 DGAB O=C(Cc1ccc(N2CCCC2=O)cc1)NC1CCCCCC1 8133735 BCDLQZGHGMYBOT-UHFFFAOYSA-N 314.429 3.195 0 40 DGAB Cc1ccccc1-c1nc(-c2ccc(S(C)(=O)=O)cc2)no1 71890304 HJILSTLJGFDLTA-UHFFFAOYSA-N 314.366 3.116 0 40 DGAB CCn1nc(C)c(C(=O)N[C@@H]2CCCc3occc32)c1Cl 83836675 WHNGDFWYRUHCSX-LLVKDONJSA-N 307.781 3.265 0 40 DGAB CN(C)c1cc(CNC(=O)CCc2cc(Cl)cs2)ccn1 71914722 TVGDYOYSJYBSMJ-UHFFFAOYSA-N 323.849 3.112 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 70755436 ATXZDRAFUYLUMA-MWLCHTKSSA-N 300.383 3.109 0 40 DGAB Cc1ccccc1C(=O)Nc1cccc(-c2nnnn2C2CC2)c1 9709720 CSMFMKDUKMXWTQ-UHFFFAOYSA-N 319.368 3.236 0 40 DGAB CCSc1ccccc1C(=O)Nc1cccc(C(N)=O)c1 9908663 IYOXFHBONZQJAH-UHFFFAOYSA-N 300.383 3.150 0 40 DGAB O=C(NCc1cc2ccccc2[nH]1)N1CCCC[C@H]1c1cn[nH]c1 97049255 HYLSNXAMGDRPMP-KRWDZBQOSA-N 323.400 3.328 0 40 DGAB CC(C)c1cc(C(=O)N2CCCC[C@@H]2c2nccs2)n[nH]1 72285839 KFIFLTDWFBPIAK-CYBMUJFWSA-N 304.419 3.357 0 40 DGAB CC(=O)Nc1cc(Cl)ccc1-c1nc2ccccc2[nH]c1=O 95945871 SZSJRNREUAYIQT-UHFFFAOYSA-N 313.744 3.202 0 40 DGAB CC[C@@H](C(=O)OCC(=O)N(C)c1ccccc1)c1ccccc1 72333741 YAGRHPXTJABWHQ-QGZVFWFLSA-N 311.381 3.386 0 40 DGAB Cn1cc(C(=O)Nc2cc(F)c(OC(C)(C)C)c(F)c2)cn1 97238635 OCMCPZARPUJCPP-UHFFFAOYSA-N 309.316 3.128 0 40 DGAB CCCCc1nc(CN2C[C@@H](C)C(=O)Nc3ccccc32)no1 72488481 BIDBRIZOACDHGJ-GFCCVEGCSA-N 314.389 3.007 0 40 DGAB COc1ccc(NC(C)=O)c(NCc2cn3c(C)cccc3n2)c1 75092183 QYCNELQTHULXIV-UHFFFAOYSA-N 324.384 3.222 0 40 DGAB Cc1cc(C)c(C(=O)N(Cc2cccnc2)Cc2ccco2)[nH]1 89568577 NCTDWMVYPPFCNR-UHFFFAOYSA-N 309.369 3.462 0 40 DGAB COc1cc(/C=C2/N=C(/C=C/c3ccccc3)OC2=O)ccc1O 408846824 RJVPSDIZYPLYNC-WSZGUFMCSA-N 321.332 3.410 0 40 DGAB COc1ccc2c(c1)O[C@@H](c1cccc(OC)c1OC)CC2=O 57760 NNKKJSANGUCFHH-QGZVFWFLSA-N 314.337 3.419 0 40 DGAB biogenic CCCNC(=O)c1ccn(COc2ccc(Cl)c(C)c2)n1 32610875 IKIOUAYBDFBFHU-UHFFFAOYSA-N 307.781 3.021 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccccc2Cl)cc1C 72227859 JMLHMHCCTOVAAU-HOTGVXAUSA-N 300.789 3.372 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)Cc1cccc(C(F)(F)F)c1 408569252 ZTULEIMCLVDLLH-UHFFFAOYSA-N 324.302 3.249 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)N1CC(=O)Nc2ccccc21 30855752 WRMBGMRNGIEGFT-MRXNPFEDSA-N 324.380 3.138 0 40 DGAB CCn1cc(NC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)cn1 72243364 ZMUFRPMYSKCUIY-UHFFFAOYSA-N 323.278 3.050 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2)C1=O 36635663 GMMDCZPMSKCBHU-HNNXBMFYSA-N 324.380 3.138 0 40 DGAB Cc1nn(C)c(C)c1[C@@H](C)NCc1cccc2c1OCCCO2 78553146 QCBZVHBBWWRXPK-GFCCVEGCSA-N 315.417 3.049 0 40 DGAB CCN(C(=O)OC(C)(C)C)c1ccc([C@H]2CCCN2C=O)cn1 72214606 OMTZOGRVFXWSIP-CQSZACIVSA-N 319.405 3.136 0 40 DGAB CNc1nc2c(s1)[C@H](c1ccc(OC)cc1OC)CC(O)=N2 49545498 SFWGEJQBSDKNFO-JTQLQIEISA-N 319.386 3.326 0 40 DGAB CC[C@@H](C)NC(=S)Nc1ccc(C)c(N2CCCC2=O)c1 225273717 KOOGCZQAEFAWBM-GFCCVEGCSA-N 305.447 3.207 0 40 DGAB C[C@H](C(=O)N1CCc2ccccc2[C@H]1C(=O)O)c1cccs1 195541851 MIVMXAPBJSWPRQ-NHYWBVRUSA-N 315.394 3.062 0 40 DGAB COCCNC(=O)c1cc(N)ccc1Nc1cc(C)ccc1C 225465121 LNMLYYJHURXLNV-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB CCOC(=O)c1nc2ccc(C(F)(F)F)cc2nc1Cl 95642221 PKAZXROSEIOTBH-UHFFFAOYSA-N 304.655 3.479 0 40 DGAB COc1ccc(NCc2ccc(Cl)nc2)c(OC)c1OC 96453653 UBSAHZGLWCADLR-UHFFFAOYSA-N 308.765 3.373 0 40 DGAB O=C(O)[C@H]1CCC(=O)N(CC2CCCC2)[C@@H]1c1ccccc1 96515687 COANTQJOBMJGGR-DOTOQJQBSA-N 301.386 3.241 0 40 DGAB O=C(O)C(F)(F)C(F)(F)Oc1ccc(Br)cc1 1083805071 WMDJTJCOUUXZNB-UHFFFAOYSA-N 317.032 3.141 0 40 DGAB CC(=O)N1CC[C@H](CN(C)[C@H]2CC[C@](C)(c3ccccc3)C2)C1 249786124 MELNFCCFLNXFLW-HOJAQTOUSA-N 314.473 3.297 0 40 DGAB CCn1cc(-c2cnc(C[C@@H]3CCCN(C(C)C)C3)cn2)cn1 257312272 UNDSXMXFFVVQGQ-HNNXBMFYSA-N 313.449 3.023 0 40 DGAB O=C(Nc1cnn([C@H]2CCOC2)c1)c1cccc2ccccc12 96123069 WFDZTZYQQHWOTF-HNNXBMFYSA-N 307.353 3.250 0 40 DGAB CCS(=O)(=O)Nc1ccccc1-c1cn2cccc(C)c2n1 390827541 HMYGNMBMGGLJHI-UHFFFAOYSA-N 315.398 3.071 0 40 DGAB O=C(NCC[C@H](CCO)c1cccs1)NCc1ccccc1 575605683 CVZRUFNYSVIIIQ-OAHLLOKOSA-N 318.442 3.104 0 40 DGAB Cc1ccc(CN(c2ccccc2)[C@H]2C=CS(=O)(=O)C2)cc1 575421906 SSUZKXCUCYEVGN-SFHVURJKSA-N 313.422 3.312 0 40 DGAB CCN1C(=O)CC[C@@]12CCCN(Cc1cc(F)ccc1F)CC2 585100736 VAPUXJDPQJEBOS-GOSISDBHSA-N 322.399 3.332 0 40 DGAB Cc1ccoc1C(=O)Nc1ccc(NC2CCOCC2)cc1 69557986 MICDLHCDABRQBJ-UHFFFAOYSA-N 300.358 3.431 0 40 DGAB Cc1cc(OC[C@H]2CCCN(C(=O)C3CCCC3)C2)ccn1 1776001499 WTYJYGQUPKZRMJ-HNNXBMFYSA-N 302.418 3.198 0 40 DGAB O=C(Cc1n[nH]c2ccccc12)Nc1cccc(-c2ncc[nH]2)c1 76017949 HNFHSFQWBYHOCR-UHFFFAOYSA-N 317.352 3.134 0 40 DGAB CCc1noc(C)c1-c1nn2c(-c3ccccc3)nnc2s1 12391922 VWKJIIMDDBFQDZ-UHFFFAOYSA-N 311.370 3.379 0 40 DGAB CCOc1cc(-c2nc3ccc(C(=O)O)cc3[nH]2)ccc1OC 15022216 PHPRGXDXXVQICU-UHFFFAOYSA-N 312.325 3.335 0 40 DGAB CC1(C)CCC[C@]2(C)[C@@H]1CC(=O)[C@@]13C[C@@H](CC[C@@H]12)[C@](O)(CO)C3 247999274 CNEAFYADRZPYEP-ARICWDBBSA-N 320.473 3.322 0 40 DGAB biogenic,in-vitro C[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@@H](C)O1 36022463 CHAMQVFFISBGDR-ZIAGYGMSSA-N 300.402 3.126 0 40 DGAB Cc1ccc(N2C[C@@](O)(c3ccccc3)[N+]3=C2CCCC3)cc1 2966196 GUJAMCPPWUAILF-HXUWFJFHSA-N 307.417 3.255 0 40 DGAB COc1ccc(CCNc2ncnc3sccc23)cc1OC 2637331 HZSOEMDGVPQNDT-UHFFFAOYSA-N 315.398 3.363 0 40 DGAB CC1(C)C[C@@H](NCc2nc(Cc3ccccc3)no2)C(C)(C)O1 97100430 HEZLKORJMBLZGP-CQSZACIVSA-N 315.417 3.096 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2ccc(F)cc2F)cc1OC 20029728 UZQHPOOEINXYDF-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB O=C(C1CCCC1)N1CCN(Cc2cccc(Cl)c2)CC1 40162106 FEYOFRSOVDNJAG-UHFFFAOYSA-N 306.837 3.174 0 40 DGAB CCCc1nc2[nH]c(C)c(Cc3ccc(C(C)C)cc3)c(=O)n2n1 101145597 JWCIRRBBHKENFJ-UHFFFAOYSA-N 324.428 3.393 0 40 DGAB O=S(=O)(c1ccc2ccccc2c1)c1cc(O)ccc1O 257799 VUMGIBHLNLUBCP-UHFFFAOYSA-N 300.335 3.084 0 40 DGAB CN(C)CCOc1cccc2c1Sc1ccccc1C[C@H]2O 346397 AKQJVADHSGPTKV-OAHLLOKOSA-N 315.438 3.368 0 40 DGAB Fc1ccc([C@H]2CN(Cc3cn4ccccc4n3)CCO2)cc1 32935724 VETTYVMJSOJQKT-QGZVFWFLSA-N 311.360 3.047 0 40 DGAB C[C@H](NC(=O)C[C@@H]1OC(=O)c2ccccc21)c1ccccc1F 32983353 NRLOOPQFEVPZKM-ZBEGNZNMSA-N 313.328 3.305 0 40 DGAB CCOc1ccc2cc(C(=O)N(CC)C[C@@H]3CCCO3)[nH]c2c1 53441010 MIBAWJRCHVKNGR-HNNXBMFYSA-N 316.401 3.208 0 40 DGAB O=C(C1CCCCC1)N1CCN(c2nc3ccccc3o2)CC1 129571 BEDBQZLEGCDHCZ-UHFFFAOYSA-N 313.401 3.057 0 40 DGAB CC(=O)N1CCN(c2ccc(NCc3ccc(C)cc3)cc2)CC1 505546 WHSMJXZOCVNHPH-UHFFFAOYSA-N 323.440 3.276 0 40 DGAB Cc1ccc(CSc2nc(C(F)(F)F)cc(=O)n2C)cc1 1400815 JPSKISWKXWRROJ-UHFFFAOYSA-N 314.332 3.400 0 40 DGAB COc1ccc(SCC(=O)c2sc3ncnn3c2C)cc1 1402671 DKMKUPJGEFEOFP-UHFFFAOYSA-N 319.411 3.083 0 40 DGAB CC(C)CCCCCOc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 2295927 PYKIDWXJJMMIGH-GOSISDBHSA-N 318.417 3.336 0 40 DGAB O=C1N(c2ccc3c(c2)OCO3)[C@H](c2ccccc2)C1(F)F 3175580 KKLRXQFKSQWUAH-CQSZACIVSA-N 303.264 3.139 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1O 3217274 STASOQUPLLMZHX-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB C[C@@H](OC(=O)c1c(F)cccc1F)C(=O)Nc1ccccc1 3396886 BUOKTVHOSAFXGZ-SNVBAGLBSA-N 305.280 3.149 0 40 DGAB COC(=O)c1ccc(CSc2ncnc3ccccc23)o1 3490717 SRUCKTRKFOXPDQ-UHFFFAOYSA-N 300.339 3.302 0 40 DGAB COc1cccc(CN(C)CC(=O)Nc2ccc3c(c2)CCC3)c1 3539903 IYPQDCOTDGQPEC-UHFFFAOYSA-N 324.424 3.254 0 40 DGAB CC(C)(C)C(=O)NCCSc1ncc(-c2ccccc2)[nH]1 4315615 CQVJUTOAUZCNLM-UHFFFAOYSA-N 303.431 3.331 0 40 DGAB O=c1nc(SCc2cccc(F)c2)nc2ccc(Cl)cn12 4504283 MTTCSOZHGMGLEK-UHFFFAOYSA-N 321.764 3.174 0 40 DGAB CCOC(=O)c1ccc2[nH]c(O)c(-c3ccccc3)c(=O)c2c1 4629550 LUWRJKMFRXUZBQ-UHFFFAOYSA-N 309.321 3.077 0 40 DGAB O=C(COC(=O)Cc1cccs1)Nc1ccc(Cl)cc1 5786909 IJSQGYRMGVMQAT-UHFFFAOYSA-N 309.774 3.126 0 40 DGAB COC1=C2CC[C@H]3c4cc(OC)c(OC)cc4CC[N+]3=C2CC1 6483871 WETFZOPPAPSRFR-INIZCTEOSA-N 314.405 3.243 0 40 DGAB Cc1cccc(NC(=O)Nc2ccccc2SCC(N)=O)c1 6550839 FFELKOGRWYHBFT-UHFFFAOYSA-N 315.398 3.216 0 40 DGAB C[C@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1 6976504 IFDODPINTQXAGD-AWEZNQCLSA-N 312.388 3.235 0 40 DGAB O=S(=O)(NC1CCCCCCC1)c1c(F)cccc1F 7375680 FFKGXDLHTAHIAM-UHFFFAOYSA-N 303.374 3.356 0 40 DGAB NC(=O)Nc1cccc(C(=O)Nc2ccc(OC(F)F)cc2)c1 7407085 PFJNXEXWVKMJEI-UHFFFAOYSA-N 321.283 3.031 0 40 DGAB c1ccc2c(c1)OC[C@@H](CSc1nnc(NC3CC3)s1)O2 8249469 PLEPJIHYJYAMCL-JTQLQIEISA-N 321.427 3.045 0 40 DGAB COc1ccc(C(=O)NCC2(N(C)C)CCCCC2)cc1Cl 8673888 JWOZEJHPFWPSNP-UHFFFAOYSA-N 324.852 3.343 0 40 DGAB COc1ccccc1CCNC(=O)CCc1c[nH]c2ccccc12 8879475 SLVQTMWLZXDKKU-UHFFFAOYSA-N 322.408 3.468 0 40 DGAB biogenic CNC(=O)c1cccc(NC(=O)/C=C/c2cc(C)ccc2OC)c1 9112261 DFWDPCOIKXWSFG-CSKARUKUSA-N 324.380 3.015 0 40 DGAB CC(C)CC(=O)Nc1nnc(COc2ccc(F)cc2)s1 9332832 UIUCDTJGKDYUKY-UHFFFAOYSA-N 309.366 3.241 0 40 DGAB C[C@H]1Oc2ccc(NC(=O)c3cccc(Cl)c3)cc2NC1=O 9364888 YKNKBNQLPDZUCL-SECBINFHSA-N 316.744 3.312 0 40 DGAB CC(=O)[C@H]1[C@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 9436803 TUSGHQTZYMNUON-IXDOHACOSA-N 318.804 3.016 0 40 DGAB O=C(CCc1nc(-c2ccsc2)no1)Nc1ccccc1O 9502032 RDSCKABEJWTPPM-UHFFFAOYSA-N 315.354 3.075 0 40 DGAB Cc1cccc(-c2nnc([C@H](C)Nc3cccc(C(N)=O)c3)o2)c1 9607448 UAQFUPDQHJQVQX-LBPRGKRZSA-N 322.368 3.317 0 40 DGAB COc1ccc(C(=O)Nc2cnc(-c3ccccc3)nc2)cc1 10959787 RYCKVGSKTJILNE-UHFFFAOYSA-N 305.337 3.405 0 40 DGAB c1ccc2c(Nc3ccc(N4CCOCC4)cc3)ncnc2c1 12082587 XOOLYKIMTJPCRK-UHFFFAOYSA-N 306.369 3.210 0 40 DGAB Cc1ccc(CN[C@H](C(=O)NC2CC2)c2ccccc2)cc1F 12873453 KMOFZRHMDRBRKO-SFHVURJKSA-N 312.388 3.244 0 40 DGAB CCCCCNC(=O)[C@@H]1CC(=O)N(c2ccc(SC)cc2)C1 13004811 JCTNBBMTMYZJGQ-CYBMUJFWSA-N 320.458 3.068 0 40 DGAB CCOc1ncccc1C(=O)OCc1cc(-c2ccccc2)no1 13006892 CNOKYLIZAFNYGD-UHFFFAOYSA-N 324.336 3.492 0 40 DGAB Cc1cccc(-c2nc(CC(=O)Nc3ccn(C)n3)cs2)c1 14672502 SJYBGSWXPHUNLK-UHFFFAOYSA-N 312.398 3.033 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCC[C@@H](C)C3)n[nH]2)cc1 15721703 YBXXXJHTGFJJAG-CYBMUJFWSA-N 313.401 3.348 0 40 DGAB COc1ccccc1CNC(=O)CCC(=O)c1ccc(C)cc1 15739474 IIYWCUNSHMCXKL-UHFFFAOYSA-N 311.381 3.283 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1[C@H]1Cc2ccccc2C1=O 19083225 YHBIJYGFXRFRME-HUUCEWRRSA-N 301.386 3.441 0 40 DGAB C1=C[C@H]2C[C@@H]1C[C@@H]2CN1CCN(Cc2c[nH]c3ccccc23)CC1 19831689 KXTSFORODAANHT-FGTMMUONSA-N 321.468 3.498 0 40 DGAB Cc1ccc(CC(=O)NCCCN2C[C@H](C)C[C@@H](C)C2)cc1 20046651 XXYGLKSKULBOND-IAGOWNOFSA-N 302.462 3.022 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2cc(C)ccc2OC)c1 20110559 CRBSURLRAWAZHS-ZDUSSCGKSA-N 315.369 3.418 0 40 DGAB CC(C)CC[C@@H](CCNCCN1CCOCC1)c1ccco1 20589705 HSBNMNSKYWWRDK-KRWDZBQOSA-N 308.466 3.111 0 40 DGAB CCc1nc(COC(=O)c2cn3c(C)cccc3n2)cs1 22988228 PULMHDPBBMGJNV-UHFFFAOYSA-N 301.371 3.019 0 40 DGAB C[C@@H]1c2ccsc2CCN1C(=O)c1ccc(-n2cncn2)cc1 25381862 FEFIZSLQYWISGC-GFCCVEGCSA-N 324.409 3.088 0 40 DGAB Cc1ccc(C(=O)N(C)Cc2ccc(C(=O)NC3CC3)cc2)cc1 26125097 AZIVKXWLALVRIN-UHFFFAOYSA-N 322.408 3.159 0 40 DGAB C[C@@H]1CCCN(C(=O)c2ccc(Cn3cc(Cl)cn3)cc2)C1 27969701 UBQBPGLGDHYHCQ-CYBMUJFWSA-N 317.820 3.457 0 40 DGAB Cc1cc(C(F)(F)F)nn1CC(=O)N1c2ccccc2C[C@@H]1C 28226578 GNEMULMETKIILV-NSHDSACASA-N 323.318 3.188 0 40 DGAB CCSc1nc(=O)n(CCc2ccccc2)c2c1CCC2 28288344 SJOBFEVPZWASGG-UHFFFAOYSA-N 300.427 3.087 0 40 DGAB Cc1cccc(OCCCNC(=O)NCCc2cccs2)c1 29324578 SOHWDPHOOOPRFE-UHFFFAOYSA-N 318.442 3.367 0 40 DGAB CC1CCC(N(C)c2ccc3nnc(C(F)(F)F)n3n2)CC1 30769027 KKNGZAIKGDVFHX-UHFFFAOYSA-N 313.327 3.158 0 40 DGAB CC[C@@H](CO)NCc1cn(-c2ccccc2)nc1-c1ccccc1 32739817 OEXRYSRGLSLSSJ-SFHVURJKSA-N 321.424 3.400 0 40 DGAB Cc1cc(O)c2c3c(c(O)c4c(c13)O[C@@H](C)C4(C)C)C(=O)O2 35464615 ZEQQGKYQWBIUCT-ZETCQYMHSA-N 300.310 3.151 0 40 DGAB biogenic,in-vitro CCC(CC)NC(=O)CSc1ccc(C(F)(F)F)cn1 39969225 IBVOVBLKJRIXSY-UHFFFAOYSA-N 306.353 3.497 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc3c(c2)CCC3)n1 40121493 CTJADOVXYGGRFC-ZDUSSCGKSA-N 311.429 3.055 0 40 DGAB O=C(Nc1ccc(N2CCOC2=O)cc1)NC1CCCCC1 41378076 DBBIEUGMTBIQRV-UHFFFAOYSA-N 303.362 3.097 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@H](O)c1ccc(C)cc1 43332460 LMMPLIPSAAACGA-INIZCTEOSA-N 314.385 3.249 0 40 DGAB CC[C@H]1CN(C(=O)c2csc(-c3ccsc3)n2)CCO1 46354803 MXZMOJCZGSDGDL-NSHDSACASA-N 308.428 3.123 0 40 DGAB O=C(CNc1ccccc1-n1cccn1)Nc1cccc(F)c1 47272816 HDCOVMNMCDOJOG-UHFFFAOYSA-N 310.332 3.062 0 40 DGAB CC(C)N(C)Cc1ccccc1CNC(=O)COC1CCCC1 48368155 BJPOAWFVYMSEMC-UHFFFAOYSA-N 318.461 3.102 0 40 DGAB CCCCS(=O)(=O)N[C@H](C)c1ccccc1Br 48903172 AMVOUOXIDDPUQO-SNVBAGLBSA-N 320.252 3.230 0 40 DGAB CN(C(=O)COC(=O)c1ccccc1Cl)c1ccccc1 51356166 LRKWCTPOUOENAS-UHFFFAOYSA-N 303.745 3.160 0 40 DGAB COc1ccc(C)cc1NC(=O)CN[C@H](C)c1cccc(F)c1 58146381 HXGMSNLJKIOPPP-CYBMUJFWSA-N 316.376 3.432 0 40 DGAB COc1ccc2oc(C(=O)Nc3nnc4ccccn34)c(C)c2c1 58381256 PQZAJUUSIZXINJ-UHFFFAOYSA-N 322.324 3.045 0 40 DGAB Cc1noc(C)c1C(=O)N[C@H](C)c1cnn(-c2ccccc2)c1C 65608260 DCQQLGHBSMZXPD-LLVKDONJSA-N 324.384 3.277 0 40 DGAB Cc1cc(NC(=O)N2CCCC2)ccc1N1CCSCC1 69580856 MBPMKSAPCTZRLY-UHFFFAOYSA-N 305.447 3.176 0 40 DGAB Cc1nc2ccccc2nc1CN1CCCC[C@@H]1Cn1cccn1 69920235 GWWNMIGKNQWMCL-MRXNPFEDSA-N 321.428 3.189 0 40 DGAB O=C(Cc1noc2ccccc12)N1CCC[C@@H]1c1cccnc1 71810742 UJXOPDTUWTWTLN-MRXNPFEDSA-N 307.353 3.129 0 40 DGAB Cc1ccccc1[C@H]1C[C@H](C)N(C(=O)CCCn2ccnc2)C1 71915255 ZFKKJPBOPUVEGE-IRXDYDNUSA-N 311.429 3.376 0 40 DGAB CO[C@H](C(=O)Nc1cnn(-c2ccccc2)c1)c1ccccc1 72040642 NNLUYZHXURSXCO-KRWDZBQOSA-N 307.353 3.199 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1cccc(OC)c1OC 72298410 QHAKFWJNVWSVBO-HNNXBMFYSA-N 315.417 3.087 0 40 DGAB C[C@@H](NC(=O)c1cc(C2CC2)on1)c1cccc(-n2cccn2)c1 73204934 LTXLBMIFNUTPAQ-GFCCVEGCSA-N 322.368 3.229 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)[C@H]1CC=CCC1 75602232 HJILJVSQZCZIAC-STQMWFEESA-N 307.825 3.402 0 40 DGAB O=C(CCSc1ccccc1)NCC[C@@H](O)c1ccco1 77111053 NRXHAIJNPIHNRG-CQSZACIVSA-N 305.399 3.002 0 40 DGAB O=C(OCc1ccc2nn[nH]c2c1)c1ccc(C(F)(F)F)cc1 78767377 DEHRVHHYHVUGHY-UHFFFAOYSA-N 321.258 3.334 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)Sc1nnc(N)s1 79344797 JXMCIWNTFONHCN-ZETCQYMHSA-N 308.457 3.453 0 40 DGAB O=C(Nn1cccc1)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F 83023910 FQPVCAIHZPZNFG-NWDGAFQWSA-N 310.275 3.261 0 40 DGAB Cc1cc(C(=O)N(CCC(N)=O)c2ccc(F)cc2)c(C)s1 84081743 KOIOVUMZLJPXLU-UHFFFAOYSA-N 320.389 3.026 0 40 DGAB Cc1noc(NS(=O)(=O)c2cccc(C(F)(F)F)c2)c1C 89556389 RMTCLNLFKPJOQI-UHFFFAOYSA-N 320.292 3.111 0 40 DGAB O=C(OCc1ccccc1)c1ccc(N2CCOCC2)cc1F 90623960 NXTXMWHBBCWSEX-UHFFFAOYSA-N 315.344 3.019 0 40 DGAB Cc1cccn2c(=O)c(C(=O)N(c3ccccc3)C(C)C)cnc12 91050296 MTFOAHGISASDME-UHFFFAOYSA-N 321.380 3.058 0 40 DGAB CCSCCN1CCC(NC(=O)CC2CCCCC2)CC1 95401462 HQGHQENJWGDPNR-UHFFFAOYSA-N 312.523 3.291 0 40 DGAB CC(C)(C)c1ncc(CN[C@]2(CO)CCc3ccccc32)s1 95429779 YDDVAZNJNVMOOY-SFHVURJKSA-N 316.470 3.364 0 40 DGAB COc1ccc2c(c1)C[C@@H](NCc1cccc(NC(C)=O)c1)CC2 95435739 XJFREFQWFIPZBK-SFHVURJKSA-N 324.424 3.301 0 40 DGAB Cc1cc(Cl)c(C(=O)N[C@@H](C)CCN2CCCC2=O)cc1C 96004455 VTXVOSXYLUTGGG-ZDUSSCGKSA-N 322.836 3.088 0 40 DGAB Cc1cccc(CN2C(=O)CCC23CCN(CC2CC2)CC3)c1 96049445 FVZQFZZRIROHBZ-UHFFFAOYSA-N 312.457 3.362 0 40 DGAB Cc1ccc(N2CCC[C@@]3(CCN(CC4CCCC4)C3)C2)nn1 96217111 GJQOQVVROIWNSA-IBGZPJMESA-N 314.477 3.268 0 40 DGAB Oc1nncc2cn(-c3cc(C(F)(F)F)ccc3Cl)nc12 96306034 CZSHKZFNRFQNDN-UHFFFAOYSA-N 314.654 3.193 0 40 DGAB CC1CCC(N(C[C@@H]2CCCO2)C(=O)c2cccnc2)CC1 96425773 MZIDQPRNIPOFAK-PREGVCBESA-N 302.418 3.282 0 40 DGAB Cc1ccc(CNC(=O)N2CC[C@@H](Cc3ccccc3)C2)cn1 96439119 YJYUGROTLGULRC-KRWDZBQOSA-N 309.413 3.164 0 40 DGAB CC(C)n1ccc(CSCC(=O)N2[C@H](C)CCC[C@H]2C)n1 96448029 ILRONMBAEHQFDF-ZIAGYGMSSA-N 309.479 3.487 0 40 DGAB Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)c2ccncc2)cc1 98014093 VQRYYGNQHWJGNQ-ZWKOTPCHSA-N 310.397 3.288 0 40 DGAB Cc1ccccc1C(=O)/N=c1\sc2cccc(F)c2n1C 100909406 JQQDPLQLZXNANW-VLGSPTGOSA-N 300.358 3.428 0 40 DGAB Cc1ccc(C2=C[C@@H](c3cccc(F)c3)n3nnnc3N2)cc1 102794377 CDJGSGUXGIRGKM-INIZCTEOSA-N 307.332 3.177 0 40 DGAB CN(C)[C@H](CNC(=S)N[C@H]1C[C@@H]2CC[C@@H]1C2)c1cccs1 102971520 CAZNOBGEIPLBKJ-YIYPIFLZSA-N 323.531 3.004 0 40 DGAB CC(C)c1noc(CCCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)n1 106061267 VSNDNHWWVBFCBL-MELADBBJSA-N 307.438 3.457 0 40 DGAB CC(C)(C)SCCNC(=O)Cc1cnc2ccccc2c1 130646164 WKUXQDQCEZBOQW-UHFFFAOYSA-N 302.443 3.425 0 40 DGAB Cc1cc(C)nc(Nc2cccc(C(=O)NCc3ccco3)c2)n1 170564540 YFWKKILWYICRQG-UHFFFAOYSA-N 322.368 3.360 0 40 DGAB CCOC(=O)c1cn(CC)c2cc(C(F)(F)F)ccc2c1=O 199739832 RVQKDLXYBXPEFG-UHFFFAOYSA-N 313.275 3.217 0 40 DGAB Cc1cc(NC(=S)NC2CCCC2)ccc1N1CCCC1=O 225278388 OKZAPNMLCHFAFZ-UHFFFAOYSA-N 317.458 3.351 0 40 DGAB COc1cccnc1NC(=S)NCCCc1ccccc1 225386171 QVEHOWLUQRLAQN-UHFFFAOYSA-N 301.415 3.009 0 40 DGAB C[C@H](O)c1onc(-c2ccc(F)cc2)c1C(=O)N1CCCCC1 225435133 YQVNATYIKKJRSZ-NSHDSACASA-N 318.348 3.160 0 40 DGAB biogenic,in-vitro O=C(CSCc1ccc(Cl)cc1F)NCc1ccncc1 225755443 FHBBTGZVULEQQI-UHFFFAOYSA-N 324.808 3.424 0 40 DGAB c1cncc(CN2CC3(C[C@H](OCC4CCCC4)CCO3)C2)c1 247920899 CHISWFWFYTZGIH-GOSISDBHSA-N 316.445 3.022 0 40 DGAB COc1ccnc(CN[C@H](c2ccccc2)c2nccs2)c1 253427057 VLJQUJJZSQZYKG-MRXNPFEDSA-N 311.410 3.426 0 40 DGAB O=C(c1ccccn1)N1C[C@H]2CC[C@H](Cc3ccccc3)[C@H]2C1 257271224 MXJWMYMSRFENSC-KZNAEPCWSA-N 306.409 3.423 0 40 DGAB Cc1ncc(-c2nccnc2C2CCN(C(C)C)CC2)s1 257286018 PJVRFTGOCURWPY-UHFFFAOYSA-N 302.447 3.496 0 40 DGAB O=C(c1ccsc1)N1CCn2c(-c3ccsc3)cnc2C1 306140280 UOTXCHWMQIAGAG-UHFFFAOYSA-N 315.423 3.329 0 40 DGAB CC[C@@H](C(=O)N[C@@H](CO)c1cccc(F)c1)c1ccccc1 390834498 ZTXLCIMNEPYUJK-SJORKVTESA-N 301.361 3.169 0 40 DGAB Cn1cccc1/C=C1\SC(=O)N(Cc2ccc(F)cc2)C1=O 409101178 WDACNQOVSIPXFS-ZROIWOOFSA-N 316.357 3.401 0 40 DGAB Cc1cncc(-c2nc(Cn3cnc4c3C[C@@H](C)[C@@H](C)C4)no2)c1 575603187 NGAUOVDNNIFYFS-QWHCGFSZSA-N 323.400 3.056 0 40 DGAB CCOC(=O)c1cc(-c2cc(Br)ccc2F)on1 1857794022 WACOPJPDGHCOIP-UHFFFAOYSA-N 314.110 3.420 0 40 DGAB Cn1c(SCc2nnc3n2CCCCC3)nc2ccccc21 54055 JMYALFMQQLLMFD-UHFFFAOYSA-N 313.430 3.184 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@@H](C)c3ccccc3)CC2=O)cc1 50537 FWKSVBIDJAPAJH-DOTOQJQBSA-N 322.408 3.225 0 40 DGAB O=C(NC1CCCCCC1)c1cccnc1OCC(F)(F)F 24544971 NOWWCBVISQYJEF-UHFFFAOYSA-N 316.323 3.475 0 40 DGAB COc1ccc([C@H](O)CNc2ccnc3ccccc23)cc1OC 77982354 BPFOSFXOKZZCJL-QGZVFWFLSA-N 324.380 3.398 0 40 DGAB COc1ccc2c(c1)CCC1=C2CC[C@](C)(C(C)=O)[C@H]1C(=O)O 1644683 HBOIWINCXVOSNS-IEBWSBKVSA-N 314.381 3.485 0 40 DGAB O=C(Nc1cccnc1Cl)c1ccn(-c2ccccc2F)n1 79431061 RNMQUGYDTGZVIR-UHFFFAOYSA-N 316.723 3.312 0 40 DGAB Cc1ccc(C(=O)N2CCC(C(=O)Nc3ccccc3)CC2)cc1 7073316 AHWHIASYWBSHTD-UHFFFAOYSA-N 322.408 3.486 0 40 DGAB COc1ccc(N[C@@H](C)C(=O)NCc2ccccc2)cc1Cl 7389717 JCZDCJKSOWUMQD-LBPRGKRZSA-N 318.804 3.465 0 40 DGAB CC(C)n1ncc2cc(NC(=O)COC3CCCCC3)cnc21 44397997 QWXOLTNTKWYZCG-UHFFFAOYSA-N 316.405 3.300 0 40 DGAB O=C(/C=C/c1nccs1)Nc1ccnn1Cc1cccs1 58060742 BMKNVMIDBWKUBY-ONEGZZNKSA-N 316.411 3.101 0 40 DGAB C[C@H](C(=O)Nc1ccccc1)N1CCC[C@H](C(F)(F)F)C1 8756179 FCTGMYDIBOVISE-NEPJUHHUSA-N 300.324 3.288 0 40 DGAB COCC[C@H](C)NC(=O)c1cc(Br)ccc1Cl 58174802 WFXODGDORWANLC-QMMMGPOBSA-N 320.614 3.257 0 40 DGAB CCC(=O)NCC(=O)Nc1ccc(S[C@@H](C)CC)cc1C 58244692 NIRPRIHGMQPAML-LBPRGKRZSA-N 308.447 3.350 0 40 DGAB C[C@H](NCc1cc(C(N)=O)cs1)c1cc(F)c(F)c(F)c1 95427536 NHJRUKIDKMLZMQ-ZETCQYMHSA-N 314.332 3.115 0 40 DGAB CC(C)CN1CCC(Nc2nccc(C(F)(F)F)n2)CC1 58666350 FLDGPTJVFQQJOC-UHFFFAOYSA-N 302.344 3.028 0 40 DGAB CCN(CC(=O)NC(C)C)Cc1nc(-c2cccs2)oc1C 11050901 RRVYPNKDKGCWJY-UHFFFAOYSA-N 321.446 3.058 0 40 DGAB Cc1csc(C2=C(O)CN(c3ccc(F)cc3F)C2=N)n1 102933689 QPHAQLPXBLHLEY-UHFFFAOYSA-N 307.325 3.496 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)c1 109025222 WCIQUPLJLMIALB-HEHGZKQESA-N 317.385 3.003 0 40 DGAB Cc1cc(C(=O)N2CCO[C@H]3CCCC[C@H]32)c2ccccc2n1 46492730 DIXOVTIXBBPAOD-MSOLQXFVSA-N 310.397 3.327 0 40 DGAB CC(C)(C)c1ccc([C@@H]2CCCN2CC2(CO)COC2)cc1 89103879 PCZGTBXECORLID-KRWDZBQOSA-N 303.446 3.130 0 40 DGAB O=S(=O)(CCc1nnc(-c2ccccc2)s1)C1CCCC1 48237700 AYPPUFFONSHGBA-UHFFFAOYSA-N 322.455 3.105 0 40 DGAB CN(C)Cc1ccccc1NC(=O)c1ccccc1-n1cccn1 48261716 ZSWVVZHDHSQAMM-UHFFFAOYSA-N 320.396 3.186 0 40 DGAB Cc1ccccc1CN(CCN1CCOCC1)C1CCCC1 89689346 PSKQFQNMUWHNBQ-UHFFFAOYSA-N 302.462 3.072 0 40 DGAB CN(C(=O)[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Br)nc1 104184178 RTUWGFMUVKYWJS-NHCYSSNCSA-N 307.191 3.019 0 40 DGAB CCNC(=O)C1(c2ccc(Cl)cc2Cl)CCOCC1 48928021 ZVLPIBYAPSSITH-UHFFFAOYSA-N 302.201 3.178 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H]1c1ccsc1 65449196 QSCTYQKKKWAJFE-HNNXBMFYSA-N 318.446 3.259 0 40 DGAB COc1ccc(Br)c(C(=O)Nc2cc(C)ccn2)c1 9337582 OPTNIWSOCVJBNC-UHFFFAOYSA-N 321.174 3.413 0 40 DGAB CC1CCN(CCCNC(=O)c2ccc3c(c2)CCCC3)CC1 28068892 AWXKEAVEBFQZCD-UHFFFAOYSA-N 314.473 3.417 0 40 DGAB COc1ccc(C2=NC[C@@H](CSc3nncs3)S2)cc1 14020563 XEMDHQCCRSBGER-NSHDSACASA-N 323.468 3.201 0 40 DGAB COc1ccc(C)cc1CN1C(=O)N[C@@]2(CCCC[C@@H]2C)C1=O 5313146 ZLAVMYYLDRFRCG-SCLBCKFNSA-N 316.401 3.004 0 40 DGAB Cc1noc(C)c1C(=O)N[C@@H](C)c1cnn(-c2ccccc2)c1C 65608258 DCQQLGHBSMZXPD-NSHDSACASA-N 324.384 3.277 0 40 DGAB CC(C)(C)SCC(=O)NCc1ccc(NC(=O)C2CC2)cc1 14182224 NAGHBPKRDXITRJ-UHFFFAOYSA-N 320.458 3.183 0 40 DGAB O=C1C(=O)N(CCCOc2ccccc2Cl)c2ccccc21 4503907 WMJHAXVRDGQNOH-UHFFFAOYSA-N 315.756 3.338 0 40 DGAB O=S(=O)(c1cccs1)N1CCc2cc3ccccc3nc21 19796820 PYPFJWLBRIKRNG-UHFFFAOYSA-N 316.407 3.048 0 40 DGAB COc1ccccc1CCNC(=O)CCCC[C@@H](C)C(C)=O 89895378 VKULSDMRALMLJN-CQSZACIVSA-N 305.418 3.139 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)CN(C)Cc1ccc(F)cc1 6976502 IFDODPINTQXAGD-CQSZACIVSA-N 312.388 3.235 0 40 DGAB CC(=O)Nc1ccc(SCC(=O)NCC2CCCCC2)cc1 7028339 RLTBQGJJZCRMHF-UHFFFAOYSA-N 320.458 3.434 0 40 DGAB Cc1ccc(C(=O)COc2ccc3ccc(=O)oc3c2)s1 7393451 YQMRQKDGYOGKEX-UHFFFAOYSA-N 300.335 3.425 0 40 DGAB Cc1cnc(CNC(=O)Nc2c(C)nn(C(C)C)c2C)s1 76066386 YRVMDPFIEJAHII-UHFFFAOYSA-N 307.423 3.167 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCN2Cc2nc3ccccc3o2)n1 71876061 NDLVNPHIOLAZNE-OAHLLOKOSA-N 310.401 3.306 0 40 DGAB CC(C)c1ccc(NS(=O)(=O)c2ccccc2)c(C(=O)O)c1 71977183 GFWFBAWLZSXCEO-UHFFFAOYSA-N 319.382 3.309 0 40 DGAB O=C(Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1)C1CC1 17321901 XVSVOTQLNLIGAA-UHFFFAOYSA-N 320.392 3.234 0 40 DGAB O=C(c1csc2c1CCCC2)N1CCC[C@H](n2ccnc2)C1 69656691 KDSSHWFQNMGJFC-ZDUSSCGKSA-N 315.442 3.301 0 40 DGAB Cc1ncc(CN(C)Cc2nccn2Cc2ccccc2)s1 69779563 OLXPILQMKNZZOR-UHFFFAOYSA-N 312.442 3.328 0 40 DGAB Cc1ccc(COc2ccccc2/C=C2/NC(=O)N(C)C2=O)cc1 409188307 GDRYQNFPOCVTGQ-LFIBNONCSA-N 322.364 3.097 0 40 DGAB O=C1[C@H](Cc2ccccc2)NC(=S)N1c1ccc(Cl)cc1 27027238 LLOAJEWGFPKUDH-AWEZNQCLSA-N 316.813 3.172 0 40 DGAB Cc1ccc2nc(NC(=O)Cc3c(C)noc3C)sc2c1 8775789 IRQZDNBMBZPUBE-UHFFFAOYSA-N 301.371 3.391 0 40 DGAB Cc1nn(CC(=O)N[C@H]2CCCc3ccccc32)c(C)c1Cl 27982054 SWNWYXQSNLBMNA-HNNXBMFYSA-N 317.820 3.347 0 40 DGAB CCn1c([C@H]2CCCN2CCn2cccn2)nc2ccccc21 84131449 WSHZNNWUQJXSNU-QGZVFWFLSA-N 309.417 3.090 0 40 DGAB COc1ccc(F)cc1CSCC(=O)Nc1ccncc1 89457463 FNSKJOPBBBCRJB-UHFFFAOYSA-N 306.362 3.101 0 40 DGAB C[C@@H](C(=O)O)[C@H](NC(=O)c1ccccc1F)c1ccccc1 97018289 QDAHNAWFDDRWQF-ABAIWWIYSA-N 301.317 3.018 0 40 DGAB Cc1nscc1C(=O)Nc1ccc(Br)cc1O 97080362 UDLORIHQKIFYOY-UHFFFAOYSA-N 313.176 3.172 0 40 DGAB CCOc1cccc2cc([C@@H](C)N[C@H]3CCC(=O)N(C)C3)oc12 97034557 IKAFQMADPHBLLB-OCCSQVGLSA-N 316.401 3.103 0 40 DGAB O=C(NCc1ccnc2ccccc12)c1cc(F)c(O)c(F)c1 97080113 RQBNYORZJJOAQU-UHFFFAOYSA-N 314.291 3.149 0 40 DGAB O=C1C[C@@H](CNc2ncnc3ccc(F)cc23)c2ccccc2N1 75094622 HBEQIIZBQJVJHV-NSHDSACASA-N 322.343 3.307 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)N1CCCC[C@@H]1c1cn[nH]c1 97234566 WIPXQFQNCJAVMV-DLBZAZTESA-N 310.401 3.334 0 40 DGAB CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3ncccn3)cc2)CCO1 97235975 ZDHVAGVSVTZCJB-ZBFHGGJFSA-N 311.385 3.287 0 40 DGAB COC(=O)C1(NCc2csc(-c3ccsc3)n2)CCC1 97373743 DORLNCFETZEGFD-UHFFFAOYSA-N 308.428 3.057 0 40 DGAB COc1ccccc1C[C@H](C)N(C)C(=O)c1ccc(C)nc1C 72502083 ZZUWGYYHPVQUCK-AWEZNQCLSA-N 312.413 3.410 0 40 DGAB O=C(OCc1ccccn1)c1ccc(N2CCCCCC2)nc1 84610091 MQBCOQWOTPXBIP-UHFFFAOYSA-N 311.385 3.214 0 40 DGAB CCOC(=O)N1CCC2(CC1)CC(=O)c1cc(Cl)ccc1O2 170494887 ZOYNICUATNUSJL-UHFFFAOYSA-N 323.776 3.296 0 40 DGAB Cc1ccc(NC(=O)c2cnccc2-c2noc(C)n2)c(F)c1 32916115 XEGWABFQJMYTDM-UHFFFAOYSA-N 312.304 3.140 0 40 DGAB c1ccc(-c2ncc(CN3CCC(c4cc[nH]n4)CC3)cn2)cc1 532944982 SCFWYWSEGPPNHA-UHFFFAOYSA-N 319.412 3.246 0 40 DGAB O=C(Cc1ccccc1)NCc1cccc(CN2CCCC2)c1 32461928 JJXVLXGPWSMDFO-UHFFFAOYSA-N 308.425 3.141 0 40 DGAB C[C@H](c1ccccc1)n1c(CN2CCOCC2)nc2ccccc21 31903412 VTKDBGOVICNLSL-MRXNPFEDSA-N 321.424 3.478 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)o1 76958384 BGWAFWJKUGAQAW-CHWSQXEVSA-N 322.405 3.022 0 40 DGAB COCC(=O)N1CCC[C@H]1c1cccc(Cc2ccc(C)cc2)n1 72357854 BVTQWSFFTCMXFL-IBGZPJMESA-N 324.424 3.291 0 40 DGAB Cc1cccc(CN[C@H](Cn2cncn2)c2ccccc2)c1C 77404920 IWIIIKTVMKELHB-LJQANCHMSA-N 306.413 3.426 0 40 DGAB COCCc1ccc(C(=O)OC)n1Cc1ccc(Cl)cc1 226030996 JZCVXCTVTFYWBM-UHFFFAOYSA-N 307.777 3.165 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)NCCC[C@@H]12 228975090 XRRQIGUDVJTTIW-CRAIPNDOSA-N 302.418 3.275 0 40 DGAB Cc1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)[nH]1 222853675 AVJXXSNCLUKHOS-CABCVRRESA-N 300.431 3.099 0 40 DGAB CCn1cccc1[C@H]1[C@H](c2ccccn2)N=C2S[C@@H](C)CN21 222635335 HHTDPHPXFZFVJR-RCBQFDQVSA-N 312.442 3.492 0 40 DGAB Cc1cccc(-c2noc(CCC(=O)N3CCC(C)CC3)n2)c1 41184394 FYCCDQMVOQQTJX-UHFFFAOYSA-N 313.401 3.236 0 40 DGAB CCCCCNC(=O)CCc1nc(-c2cccc(F)c2)no1 225801146 HYMOVIQBUKCKPH-UHFFFAOYSA-N 305.353 3.115 0 40 DGAB COc1cccc(OCCNC(=O)c2cccc(Cl)c2)c1 196650149 YWZLHGFTXHAECW-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB C[C@@H](CN[C@H](C)c1cccc2ccccc12)CS(C)(=O)=O 96490754 ALHBPOGDAOMIGP-UONOGXRCSA-N 305.443 3.171 0 40 DGAB C[C@@H](CNC(=O)N(c1ccccc1)c1ccccc1)[S@](C)=O 96501225 VUSUAZFIXFRPOF-RCDICMHDSA-N 316.426 3.301 0 40 DGAB CCc1cnc(CN[C@@H](C)c2cccc(N3CCOC3=O)c2)o1 96491270 UTXKNBWHYHJZHG-LBPRGKRZSA-N 315.373 3.044 0 40 DGAB Cn1cc(NC(=O)Nc2ccnc(Oc3ccccc3)c2)cn1 96434997 MYEJUJKOQMSIMO-UHFFFAOYSA-N 309.329 3.251 0 40 DGAB CC(C)n1ccc(C(=O)N2c3ccccc3N(C)CC[C@H]2C)n1 96425357 CXZWBHKKUVPAMP-CQSZACIVSA-N 312.417 3.339 0 40 DGAB Cc1nc(C(C)(C)NC(=O)Cc2cccc(O)c2)sc1C 97236750 XMQNJUHQMOTRBU-UHFFFAOYSA-N 304.415 3.060 0 40 DGAB FC(F)(F)c1csc(CCNc2cncc(Cl)n2)n1 96429852 QHUULZLDWJXCOG-UHFFFAOYSA-N 308.716 3.260 0 40 DGAB Cc1cccc(NCC2CCN(C(=O)c3ccccc3)CC2)n1 97096505 DLIRIISBTXAILU-UHFFFAOYSA-N 309.413 3.354 0 40 DGAB Cc1c(-c2cccc(C(=O)N(C)C)c2)c(C(F)(F)F)nn1C 96166039 HRIAHXMEVGLKOW-UHFFFAOYSA-N 311.307 3.116 0 40 DGAB CC(C)C12CN3CC(C(C)C)(CN(C1)C3c1cccs1)C2O 95500527 RLHMJIKXHYNLTM-UHFFFAOYSA-N 320.502 3.037 0 40 DGAB biogenic C[C@@H]1CCN(S(=O)(=O)c2cccnc2)c2ccccc2S1 95365090 LFDSVBJCPHKJTE-GFCCVEGCSA-N 320.439 3.161 0 40 DGAB O=C(c1ccco1)N1C[C@H]2CCCN(Cc3ccsc3)[C@H]2C1 96054183 MEZKWMXYOFAEDW-CABCVRRESA-N 316.426 3.078 0 40 DGAB CCS(=O)(=O)CCN[C@@H](C)c1ccc(-c2ccccc2)o1 95421756 CAEOIXYEYHNDCF-ZDUSSCGKSA-N 307.415 3.032 0 40 DGAB CSc1ccc([C@H](O)CNC(=O)NCc2cccs2)cc1 96103298 XJZCMYSSNDFRSB-CQSZACIVSA-N 322.455 3.003 0 40 DGAB CC[C@@H](C(=O)c1ccc(-c2ccccc2)cc1)S(C)(=O)=O 96518029 CIJQRINRHKAKNK-INIZCTEOSA-N 302.395 3.360 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN2C(=O)Cc2ccc(F)c(Cl)c2)n1 257247870 JAXXSXLDPICNSW-AWEZNQCLSA-N 321.783 3.417 0 40 DGAB CO[C@@H]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2)C1 96122197 HFRXXHNEYVRKQD-OAHLLOKOSA-N 314.360 3.303 0 40 DGAB O=C(N[C@H]1CCc2ccc(F)cc21)c1c[nH]c2ccccc2c1=O 69562512 NIYMQNDTJYMAQF-KRWDZBQOSA-N 322.339 3.085 0 40 DGAB C[C@@H](NC(=O)NCCNc1ccccn1)c1ccc(Cl)s1 40119146 VAAKTFJAIRLMQQ-SNVBAGLBSA-N 324.837 3.269 0 40 DGAB CSCc1cccc(NC(=O)NC[C@H](C)C[C@@H](C)O)c1C 77714502 QLXPWQRPUXXZCY-VXGBXAGGSA-N 310.463 3.387 0 40 DGAB O=C(O)c1csc(NC(=O)c2cccc([C@H]3CCOC3)c2)c1 581983777 XBTNHLAZHSKXOP-LBPRGKRZSA-N 317.366 3.203 0 40 DGAB Cc1noc(C)c1[C@H](C)NC(=O)NCCC[C@@H]1CCCCO1 97376694 SCENXJUGFPZAGB-FZMZJTMJSA-N 309.410 3.001 0 40 DGAB COc1ccc(C2=NO[C@H](C(=O)N[C@H](C)c3ccccc3)C2)cc1 5029181 OZLYVCLYJVPMOE-ACJLOTCBSA-N 324.380 3.066 0 40 DGAB CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1 5709103 YWYSXJIYOWYXSX-PKNBQFBNSA-N 311.293 3.115 0 40 DGAB O=c1[nH]c2ccccc2nc1SCc1nc2ccccc2[nH]1 16525080 LGDREJFRCNZKEK-UHFFFAOYSA-N 308.366 3.092 0 40 DGAB CC(=O)NC1CCN(CC2(c3ccccc3F)CCCC2)CC1 19021230 OTWGSCNMGJYNLO-UHFFFAOYSA-N 318.436 3.238 0 40 DGAB CCOc1ccc(CN[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 19533412 JIXSFUNCBMVJAV-RBUKOAKNSA-N 315.388 3.497 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2sc(C)nc2C)c(C)c1 6366989 SJQWOHZQQPCDBP-UHFFFAOYSA-N 303.383 3.416 0 40 DGAB C[C@H](C(=O)Nc1ccccc1F)N1CCc2sccc2C1 10106632 DTABTISXRNDOHP-LLVKDONJSA-N 304.390 3.273 0 40 DGAB Cc1c(Cl)ccc2sc(N(C)C[C@H]3COCCO3)nc12 1888870282 ZMIQQXKLSIHBKJ-JTQLQIEISA-N 312.822 3.110 0 40 DGAB CCc1nnsc1C(=O)Nc1nc2ccc(C)cc2s1 4941944 YJHAJICWZHYONH-UHFFFAOYSA-N 304.400 3.271 0 40 DGAB Cc1cc(C)c2c(c1)C(=O)C(=O)N2CCOc1ccccc1C 5031953 LSSANWPQYJBZAA-UHFFFAOYSA-N 309.365 3.220 0 40 DGAB Cc1cc(NC(=O)C(c2ccccc2)c2ccccc2)n(C)n1 11694271 VDQFOXPXOYHZPC-UHFFFAOYSA-N 305.381 3.499 0 40 DGAB COc1cccc2cc(C(=O)N3[C@@H](C)CCC[C@H]3C)c(=O)oc12 12417685 KHHMKTHXMMEWHB-TXEJJXNPSA-N 315.369 3.205 0 40 DGAB biogenic Cc1noc(C)c1C(=O)Nc1ccc(Oc2cnccn2)cc1 40112607 GNUBZPQBPDFXNT-UHFFFAOYSA-N 310.313 3.126 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCNC(=O)c2cc(Cl)ccc2F)C1 40107598 USLIWNFTHRLLND-VXGBXAGGSA-N 312.816 3.187 0 40 DGAB C[C@H](Sc1ccccc1)C(=O)Nc1ccc(NC(N)=O)cc1 40488894 GJGUKCDYQOAYJG-NSHDSACASA-N 315.398 3.297 0 40 DGAB CC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1Cl 101516391 IOGVIMFDOHVLLQ-GVXVVHGQSA-N 304.777 3.449 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@@H]2Nc1ccc(F)c(F)c1 504219 PGNBUVQDYISHMF-HNNXBMFYSA-N 321.279 3.263 0 40 DGAB COc1ccc(OCC(=O)Nc2cc(Cl)ccc2OC)cc1 565844 OXLTUGKKJJDPFX-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CCOC(=O)c1c(NC(=O)C(F)F)sc2c1CCCC2 1027906 ZQEUDZBDDHUGOU-UHFFFAOYSA-N 303.330 3.007 0 40 DGAB O=C1C=C(n2cnc3ccccc32)C(=O)N1c1ccccc1Cl 1441419 WXRHIOFUKORKJH-UHFFFAOYSA-N 323.739 3.104 0 40 DGAB Cc1ccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)cc1 2713190 DHKJFTFVWBNHQP-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB O[C@@H](CNCc1ccccc1)COCc1ccc(Cl)cc1 3241687 HUJBPYXFFMWRCZ-KRWDZBQOSA-N 305.805 3.007 0 40 DGAB CC(=O)c1ccc(NC(=O)CN(C)Cc2cccc(F)c2)cc1 3422181 GCFHIRGIYKWWQB-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccc(C)o1 3455248 KJUHJDLIMALSNJ-UHFFFAOYSA-N 323.732 3.046 0 40 DGAB CCOc1ccccc1C(=O)NCCc1cn2ccc(C)cc2n1 4248448 CZQKGQUYXBYOIM-UHFFFAOYSA-N 323.396 3.014 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2sccc2C)c(F)c1 5967281 OGGAQGPZTWXGOG-UHFFFAOYSA-N 307.346 3.300 0 40 DGAB C[C@@H]1C[C@H]1C(=O)OCC(=O)Nc1cc(Cl)ccc1Cl 6641533 LVDYVPKRXRFDHE-VXNVDRBHSA-N 302.157 3.131 0 40 DGAB O=c1c2ccccc2[nH]c(=S)n1CCc1nc2ccccc2[nH]1 7047196 IFLCYSRFFDZSPY-UHFFFAOYSA-N 322.393 3.178 0 40 DGAB C[C@@H](CNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1 7309555 QFFXOANKCHTSTR-LBPRGKRZSA-N 309.818 3.422 0 40 DGAB Cc1ccc(C2=C[C@H](c3ccncc3)n3nc(C)nc3N2)cc1 7499321 HKMVDQCZVMRWMS-QGZVFWFLSA-N 303.369 3.346 0 40 DGAB c1ccc(-c2nnn(Cc3cc(-c4cccs4)on3)n2)cc1 7586364 FVMXNCJEYBNOTK-UHFFFAOYSA-N 309.354 3.105 0 40 DGAB S=c1[nH]ncn1NCc1ccc(OCc2ccccc2)cc1 7602526 HGKNEHUPZQVCDB-UHFFFAOYSA-N 312.398 3.263 0 40 DGAB O=C(OCc1ccccc1Oc1ccccc1)c1ccc[n+]([O-])c1 7975517 FTFCTAJYBACQSH-UHFFFAOYSA-N 321.332 3.469 0 40 DGAB O=C(Nc1ccc(F)c(F)c1)c1cccc(N2CCCC2=O)c1 8077453 UUTVPKGLIYTWJW-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Cc1cccc(-c2cc(C(=O)Nc3ccccc3F)n[nH]2)c1O 8973256 ZPAGFKUNYPGPTG-UHFFFAOYSA-N 311.316 3.482 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1cc(F)ccc1F 9457439 LOAINBZJJXOYTB-UHFFFAOYSA-N 300.308 3.419 0 40 DGAB Cc1cccc(NC(=O)CCc2nc(-c3ccncc3)no2)c1C 9699712 IBGZXEKVOCYXCA-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCCCOC2CCCCC2)s1 10628123 FDAODJJSLAYOJN-UHFFFAOYSA-N 324.446 3.176 0 40 DGAB O=C(CN1CCC(c2ccccc2F)CC1)Nc1nccs1 12113941 WVWYHZAZIPLQQO-UHFFFAOYSA-N 319.405 3.100 0 40 DGAB CCCc1nc2c(c(C)c(C)n2CCN(C)C)c(N)c1CC 12388958 FSNACYGQWAQVSR-UHFFFAOYSA-N 302.466 3.312 0 40 DGAB COC(=O)C[C@H](NC(=O)c1ccsc1)c1ccccc1Cl 14166489 QOUCMLGUJRHKPA-ZDUSSCGKSA-N 323.801 3.436 0 40 DGAB O=C(Cn1c(-c2cccs2)n[nH]c1=S)N1CCCCCC1 14238558 UMIXCMARNKLMKN-UHFFFAOYSA-N 322.459 3.072 0 40 DGAB CC(=O)c1csc(NC(=O)[C@H](C)Oc2cccc(Cl)c2)n1 15201178 HNXZBSPNCQPJKS-VIFPVBQESA-N 324.789 3.405 0 40 DGAB CCN1C(=O)Cc2cc(NC(=O)CCc3ccccc3)ccc21 17288834 XBTRSIXYOFSEKD-UHFFFAOYSA-N 308.381 3.167 0 40 DGAB Cc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1C 19937211 XNUHFNWVRBBRRX-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB O=C1Nc2ccccc2CC[C@H]1SC(=S)N1CCCCC1 20716040 BSKJCJZOAYGLDR-CQSZACIVSA-N 320.483 3.444 0 40 DGAB CCOc1cc2c(cc1CNC(=O)c1ccoc1C)O[C@H](C)C2 21557606 LAGWOBMAXROSPO-LLVKDONJSA-N 315.369 3.240 0 40 DGAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CC=CCC1)O[C@H](C)C2 24645689 IWSRTOFJTBQQIH-ZIAGYGMSSA-N 315.413 3.381 0 40 DGAB Cc1occc1C(=O)Nc1ccc(C(=O)Nc2cccnc2)cc1 24900421 IRFJJDKFMATRJG-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB N[C@@H](CC(=O)O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 26895655 OUANSSWMRQKJHU-QMMMGPOBSA-N 301.186 3.199 0 40 DGAB CC(=O)N1CCc2cc(N[C@H](C)c3nc(C(C)C)no3)ccc21 26984266 ULEYOJPEVZUIFW-LLVKDONJSA-N 314.389 3.275 0 40 DGAB CCNc1nnc(S[C@@H](C)c2nc(-c3ccco3)no2)s1 29740177 KEEXQULISVFIIP-ZETCQYMHSA-N 323.403 3.466 0 40 DGAB CCCC(=O)Nc1nc(-c2ccc(F)cc2)c(CC(=O)O)s1 31976117 DUBHZSFGAQFGHQ-UHFFFAOYSA-N 322.361 3.315 0 40 DGAB CC[C@@H](C)NS(=O)(=O)c1cc(C)c(C)cc1Br 32601828 PCXXNBRCNHVWFB-SNVBAGLBSA-N 320.252 3.143 0 40 DGAB CCNC(=O)Nc1sc2c(c1C(=O)OCC)CC[C@H](C)C2 36646049 YCXVHMOUKLMUKK-VIFPVBQESA-N 310.419 3.191 0 40 DGAB O=C(CSCc1nc2ccccc2s1)NCC(F)(F)F 40457609 AUARPDINBSOROW-UHFFFAOYSA-N 320.361 3.208 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F 42646030 RTSGRIGKCUSBEE-SKDRFNHKSA-N 312.772 3.113 0 40 DGAB CC[C@@H](Oc1ccc2ccccc2c1)C(=O)NCCCN(C)C 44948517 JXFPPJOQMZZWSR-GOSISDBHSA-N 314.429 3.065 0 40 DGAB C[C@@H]1CN(CCNc2ccnc3cc(Cl)ccc23)C(=O)O1 45221338 GGPPYNKSWZGVQR-SNVBAGLBSA-N 305.765 3.141 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)N2CCCCCC2)c1 45720504 BUENFCZNNHQGDB-CYBMUJFWSA-N 303.406 3.292 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 47085594 JNGPJOJEKFKTBX-KOLCDFICSA-N 317.414 3.306 0 40 DGAB O=C(Nc1ccc(N2CCc3ccccc32)cc1)c1cnccn1 47327607 IUADIULWRLOVDC-UHFFFAOYSA-N 316.364 3.423 0 40 DGAB Cc1noc(COc2ccc(C(=O)c3ccc(F)cc3)cc2)n1 48264425 SIRWQCHEYSRKLI-UHFFFAOYSA-N 312.300 3.327 0 40 DGAB CCn1ccc2cc(NC(=O)[C@@H](C)OC[C@H]3CCCO3)ccc21 51385722 HMCAIAZGYXSEPJ-CZUORRHYSA-N 316.401 3.184 0 40 DGAB CC(C)N(C)CC(=O)N[C@@H](c1ccc(F)cc1)c1cccs1 52875870 KHWACLUPQZSBOA-KRWDZBQOSA-N 320.433 3.433 0 40 DGAB Ic1ccccc1NCc1cncs1 54770438 QEILPCMELGZSJG-UHFFFAOYSA-N 316.167 3.360 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)C(=O)N1CC[C@@H](C)[C@H]2CCCC[C@@H]21 57083285 COOVFBHTOVFCNA-TUVASFSCSA-N 324.465 3.327 0 40 DGAB O=C(Nc1ccnn1Cc1cccc(Br)c1)C1CC1 58174097 NTNHREUUYSHFGK-UHFFFAOYSA-N 320.190 3.042 0 40 DGAB CCC(CC)C(=O)NC[C@@H]1CCN(c2ccccc2OC)C1 58183610 XMSLJQQVUYXUJI-AWEZNQCLSA-N 304.434 3.074 0 40 DGAB CC1=NN(C(=O)c2cccc(Cl)c2)[C@@](O)(c2ccccc2)C1 59488929 QPPFOGYQURVURM-KRWDZBQOSA-N 314.772 3.407 0 40 DGAB C[C@@]1(CCC(=O)O)C(=O)CC[C@@H]2[C@@H]3CC[C@@](C)(O)[C@]3(C)CC[C@H]21 61895128 UYMHYRPSWIDDSO-LZALDCCUSA-N 322.445 3.414 0 40 DGAB COc1ccc(CCNC(=O)CCc2ccc(F)cc2)cc1 62084484 KSKMFCQDPGQKGG-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB Cn1ccc(NC(=O)C(C)(C)c2cccc(C(F)(F)F)c2)n1 69633256 OOAHPROHNGGIPD-UHFFFAOYSA-N 311.307 3.355 0 40 DGAB Cc1ccc(N2CCC[C@H](Nc3nc4ccccc4o3)C2)nn1 69815349 ABQDALSHKQRLLI-ZDUSSCGKSA-N 309.373 3.007 0 40 DGAB Cc1cc(CNC2CCN(Cc3ccccn3)CC2)ccc1F 71857530 IDTIVYMTUQJYPI-UHFFFAOYSA-N 313.420 3.283 0 40 DGAB Cc1nnc(SC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)s1 71916368 STZYYHPBKWXCJX-SNVBAGLBSA-N 315.464 3.196 0 40 DGAB CCOC(=O)CSCc1nn(-c2ccccc2)c2c1CCC2 72052190 DQYMZSXMMQCLIT-UHFFFAOYSA-N 316.426 3.157 0 40 DGAB O=C1COc2nc3ccccc3cc2CN1Cc1cccs1 72346407 RRLXFDOSDGTPKM-UHFFFAOYSA-N 310.378 3.218 0 40 DGAB CC(C)N1CCC[C@@H](Cc2cc(Nc3nccs3)ncn2)C1 72361668 AFAIOGMFYYFLDB-ZDUSSCGKSA-N 317.462 3.340 0 40 DGAB CCSC[C@@H](C)N(C)Cc1nnc(-c2ccc(F)cc2)o1 72902830 JTTBKDKJIKWTGH-LLVKDONJSA-N 309.410 3.449 0 40 DGAB O[C@H](COCc1cccs1)Cn1ccnc1-c1ccccc1 75144130 JNYJJKLYRCWSEQ-HNNXBMFYSA-N 314.410 3.189 0 40 DGAB O=C(Nc1cc(F)ccc1SCC(F)F)[C@H]1CCCO1 78189351 XKGZCVKENUIYNZ-SNVBAGLBSA-N 305.321 3.300 0 40 DGAB COC(=O)c1ccccc1-c1nc(-c2ccc(OC)cc2)no1 78401096 SLOLFXLGYXUJLS-UHFFFAOYSA-N 310.309 3.199 0 40 DGAB Cc1cc(C(=O)Nc2cccc(NC(N)=O)c2)c(C)n1C1CC1 78671036 LIVRYGDFMQJIAH-UHFFFAOYSA-N 312.373 3.183 0 40 DGAB COc1ccc(Cl)cc1N1CC[C@H](NCc2ccccn2)C1 78979912 ICNWXGBNWPWXEV-HNNXBMFYSA-N 317.820 3.112 0 40 DGAB Cc1nnc([C@H](C)OC(=O)C2(c3ccc(Cl)cc3)CC2)o1 78989088 LOCVEEIBILDTMT-VIFPVBQESA-N 306.749 3.367 0 40 DGAB CC(C)(C)S(=O)(=O)Cc1cccc(NC(=O)c2ccoc2)c1 78997219 WUPWGEPQQSAVIV-UHFFFAOYSA-N 321.398 3.245 0 40 DGAB CC(C)C[C@@H](C)NC(=O)[C@H]1CCCN(C(=O)c2cccs2)C1 84456954 ZIABCUFHGNSRHT-KGLIPLIRSA-N 322.474 3.151 0 40 DGAB Cc1cc([C@@H](O)CCNC(=O)c2ccc(Cl)s2)c(C)o1 85561338 QKIZLPALJVUQEO-NSHDSACASA-N 313.806 3.465 0 40 DGAB COc1cccc([C@H]2C[C@@H]2C(=O)Nc2cnc(C3CC3)nc2)c1 89469903 YAMNMSQBWYNQSI-CVEARBPZSA-N 309.369 3.105 0 40 DGAB c1cc(CCn2ccc(NCc3ccc4c(c3)CCO4)n2)ccn1 89807044 HBHGWNNGGZXCSB-UHFFFAOYSA-N 320.396 3.068 0 40 DGAB C[C@@]1(O)CCN(C(=O)CCCn2ccc3cc(Cl)ccc32)C1 89847506 QGEDRZJKPFASLP-QGZVFWFLSA-N 320.820 3.058 0 40 DGAB CC(C)[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1Cl 91280639 UDWBKVRRRCNTON-SWLSCSKDSA-N 315.866 3.061 0 40 DGAB CC(=O)c1csc(C(=O)N[C@@H](C)C[C@H](O)c2ccccc2)c1 95417791 XEFVWLDRCDQEGP-NHYWBVRUSA-N 317.410 3.193 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@H]2CCSc3ccccc32)C1 95423787 GZXSMGXMEQWMOD-HIFRSBDPSA-N 304.459 3.070 0 40 DGAB COc1ccccc1SCC(=O)N(C)c1ccc(Cl)cn1 95449652 WMYOXIOZYIAPRA-UHFFFAOYSA-N 322.817 3.499 0 40 DGAB Cc1ccccc1C1(CN[C@H]2C[C@H](C)OC2=O)CCCCC1 95958793 QCIOSGRLRXIHLB-RDJZCZTQSA-N 301.430 3.491 0 40 DGAB CN(Cc1nnc(-c2cccs2)o1)OCc1ccccc1 95973377 LKEXCDTXOVPNTO-UHFFFAOYSA-N 301.371 3.362 0 40 DGAB Cc1cc(C)n(-c2ccc(N3CCC[C@H]3c3ccco3)nn2)n1 96413737 WAULBXGZDPZAJE-AWEZNQCLSA-N 309.373 3.214 0 40 DGAB Cc1ccc(NC(=O)CCc2ccco2)cc1N1CCOC1=O 96444851 UYUHJBAXICLUQL-UHFFFAOYSA-N 314.341 3.116 0 40 DGAB CCS[C@@H]1CCC[C@@H]1NC(=O)c1cc(NC(C)=O)ccc1F 96450466 RFAZMOABHZHMFR-LSDHHAIUSA-N 324.421 3.188 0 40 DGAB CC(C)N1Cc2cccc(NS(=O)(=O)c3cccs3)c2C1 97048789 WJOZRTLQNUDLAB-UHFFFAOYSA-N 322.455 3.273 0 40 DGAB O=C(c1ccc2nccn2c1)N1CCCCC[C@@H]1c1ccncc1 97212286 SCWZTPBUBGRXEB-QGZVFWFLSA-N 320.396 3.487 0 40 DGAB O=C(O)C[C@@H](NC(=O)/C=C/C1CC1)c1ccc(Cl)c(F)c1 97231172 UFIXDGWROLAAAU-VUUYWXRKSA-N 311.740 3.077 0 40 DGAB Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)c2cc(C)no2)cc1 98014126 AQDXOGLDFBLWAL-RDJZCZTQSA-N 314.385 3.189 0 40 DGAB CCO[C@H]1C[C@@H](NC(=O)CC2CCOCC2)C12CCCCC2 98016455 FBQNQEQFJNKNLL-CVEARBPZSA-N 309.450 3.047 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3ccccc3F)C2=O)cc1C 101276378 FRAKLDFLDALHCG-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB O=C(NC[C@@H]1CC[C@H](O)C1)Nc1ccc(OC2CCCC2)cc1 189537464 DMEQEVNEFUJCMB-HIFRSBDPSA-N 318.417 3.291 0 40 DGAB CC(C)CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccco1 222903055 QAWMTRGGIIGDAI-CABCVRRESA-N 301.415 3.303 0 40 DGAB CC1(C)COc2ccc(C(=O)NCc3ccccc3)cc2OC1 225358277 HSCUXSRCVVLAMQ-UHFFFAOYSA-N 311.381 3.414 0 40 DGAB Cc1ccc(CN(C)C)cc1NC(=O)CCCc1nccs1 225805308 XUBXUEVLGDTECX-UHFFFAOYSA-N 317.458 3.475 0 40 DGAB C[C@H]1[C@H](CCN(C)C)COCCN1Cc1cccc(Cl)c1 248112201 KJJZYNXLGHFLQB-GOEBONIOSA-N 310.869 3.129 0 40 DGAB O=C(c1cc2cc(F)ccc2[nH]1)N1CCCC[C@@H]1c1ccn[nH]1 257270144 MSYDGRXPSWLOSC-MRXNPFEDSA-N 312.348 3.398 0 40 DGAB O=C(c1ccccc1)N1C[C@H]2CCC[C@H](Cc3ncccn3)[C@H]2C1 257285522 PHOGLRILEBBMGY-KZNAEPCWSA-N 321.424 3.208 0 40 DGAB O=C(Cc1ccc(F)cc1)NCC[C@H](CCO)c1cccs1 575607566 MSRHQBHQHLADAI-CQSZACIVSA-N 321.417 3.102 0 40 DGAB FC(F)Cn1ncnc1COc1ccc(C(F)(F)F)cc1 585079533 IPYMAZGCKNIHID-UHFFFAOYSA-N 307.222 3.141 0 40 DGAB COC(=O)c1cc(C(F)(F)F)nn1Cc1ccccc1Cl 685936551 FKBGEGZQGNDATM-UHFFFAOYSA-N 318.682 3.390 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CC(OCC(C)C)C3)cc2c1C 1544900264 IHKVPPGTSLSEEM-UHFFFAOYSA-N 300.402 3.282 0 40 DGAB O=C(Nc1ccc2cc[nH]c2c1)c1cc2cc(F)ccc2[nH]c1=O 1556390729 LOGRHQILVRLAOH-UHFFFAOYSA-N 321.311 3.401 0 40 DGAB COC(=O)c1cc(-c2cc(C(F)(F)F)ncc2Cl)on1 1857794061 FZQAHKQLAMFCPR-UHFFFAOYSA-N 306.627 3.195 0 40 DGAB CCn1cnc2c(Nc3cccc(Br)c3)ncnc21 1888913475 ZYXHJWJRRCVWJS-UHFFFAOYSA-N 318.178 3.352 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ncccc2Cl)C1 2087130931 PBXUPXABJMEQBT-LBPRGKRZSA-N 309.841 3.208 0 40 DGAB Cc1nc2ncnn2c(NCc2ccc(-c3ccoc3)nc2)c1C 2087151720 OFNMRHGASMKZCI-UHFFFAOYSA-N 320.356 3.008 0 40 DGAB CCc1ccccc1NC(=O)COC(=O)c1ccc(F)cc1 131853 VOJBPHLSFMEAHL-UHFFFAOYSA-N 301.317 3.184 0 40 DGAB CC(=O)Oc1ccccc1/C=C1\N=C(c2cccc(C)c2)OC1=O 177264 NLVFLMGVWKQDLN-WJDWOHSUSA-N 321.332 3.265 0 40 DGAB O=C1O[C@@H](C(=O)Nc2cccc(Cl)c2)Cc2ccccc21 205518 WMMVWOUGKCSHRA-CQSZACIVSA-N 301.729 3.060 0 40 DGAB Cc1cc(C)cc(NC(=O)CSc2nnc(C(C)C)n2C)c1 412591 RNXNTSAIQBQJFW-UHFFFAOYSA-N 318.446 3.286 0 40 DGAB CCn1c(SCC(=O)Nc2cccc(F)c2)nnc1C(C)C 416772 AOKJWXCNSNNCBO-UHFFFAOYSA-N 322.409 3.291 0 40 DGAB Cc1ccc(NC(=O)[C@@]2(C)Cc3ccccc3C(=O)O2)cc1C 540970 CCURHSFBSBBUFE-LJQANCHMSA-N 309.365 3.414 0 40 DGAB CCOc1ccc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)cc1 800476 NVFWBJMTBNBOPR-CQSZACIVSA-N 324.380 3.077 0 40 DGAB CCOC(=O)c1sc(N)c(C(=O)Nc2ccccc2)c1C 800800 DVFVNLSLZADOIQ-UHFFFAOYSA-N 304.371 3.068 0 40 DGAB CC(=O)O[C@H](C)C(=O)N(Cc1ccccc1)Cc1ccccc1 1602660 MPUXLUHLPRCBBU-OAHLLOKOSA-N 311.381 3.167 0 40 DGAB CCC(NC(=O)Nc1cc(C)on1)(C(F)(F)F)C(F)(F)F 2481724 AYUNKXOYFAAICS-UHFFFAOYSA-N 319.205 3.378 0 40 DGAB O=C1c2ccccc2C(=O)N1CSc1nc2ccccc2o1 3117559 VOGZFYZINGMYIT-UHFFFAOYSA-N 310.334 3.174 0 40 DGAB Cc1cc(C(=O)OCC(=O)Nc2ccc(Cl)cc2)c(C)o1 3317791 MBWBGJDHXAGKKC-UHFFFAOYSA-N 307.733 3.345 0 40 DGAB Cc1ccc(C(=O)NC(C)(C)C)cc1NC(=O)c1ccco1 3486911 VHNGZBNWJHVWLD-UHFFFAOYSA-N 300.358 3.369 0 40 DGAB COc1ccccc1OCC(=O)N[C@@H]1CCCc2ccccc21 3606564 UKXBMLUQNKDDKI-MRXNPFEDSA-N 311.381 3.268 0 40 DGAB CCc1ccc(/C=C2/NC(=O)N(Cc3ccccc3F)C2=O)cc1 3659445 JPCUBSRDQGKZBM-GZTJUZNOSA-N 324.355 3.481 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](C3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4016526 BYXMVCRHLWBFFG-KGOITJQVSA-N 307.271 3.017 0 40 DGAB CCCSc1nnc(NC(=O)c2ccc3c(c2)OCO3)s1 4087878 HVBBEIWRXVNMPA-UHFFFAOYSA-N 323.399 3.021 0 40 DGAB O=C(CCn1c(=O)sc2ccccc21)Nc1ccccc1F 4121591 SPZFGQHPVLHQGA-UHFFFAOYSA-N 316.357 3.231 0 40 DGAB COc1cccc(NS(=O)(=O)c2ccc(F)c(Cl)c2)c1 7052964 XMOMDPGVAKVUKX-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB CCCc1nnc(SCc2ccc(C(=O)O)cc2)n1CC 7605246 SRLPTETUHQLBIA-UHFFFAOYSA-N 305.403 3.241 0 40 DGAB O=C(Nc1nc2ccc(F)cc2s1)[C@H]1Cc2ccccc2O1 8774603 FKBWUXSEPQUTAZ-CYBMUJFWSA-N 314.341 3.378 0 40 DGAB c1ccc(CCC2CCN(c3ncnc4[nH]ncc34)CC2)cc1 12556517 YCXBVECXJUCGAF-UHFFFAOYSA-N 307.401 3.202 0 40 DGAB COc1ccc(C(=O)Nc2ccc(OC(F)(F)F)cc2)cn1 14184443 LZHHRJOTVWPVCB-UHFFFAOYSA-N 312.247 3.241 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)COc1cc(C)on1 14196950 JVGFPOXUYXTRTE-UHFFFAOYSA-N 318.373 3.307 0 40 DGAB COc1ccccc1C(=O)NCCc1ccc(N2CCCC2)cc1 16847220 JHQHSRVSFBXJEQ-UHFFFAOYSA-N 324.424 3.268 0 40 DGAB CC(C)(C)C(=O)NC(=S)Nc1cccc2c(O)cccc12 17030828 HDDJNRQOCZCDDH-UHFFFAOYSA-N 302.399 3.405 0 40 DGAB CCCC12CN3CC(C)(CN(C1)C3c1ccccc1Cl)C2=O 19322272 KPNNPTBPVOVOEX-UHFFFAOYSA-N 318.848 3.345 0 40 DGAB CC1CCN(C2CCN(Cc3cnc(C(C)C)nc3)CC2)CC1 19496849 IQPBOHRFRDKWRQ-UHFFFAOYSA-N 316.493 3.296 0 40 DGAB CNc1nc(C)cc(C)c1S(=O)(=O)c1ccc(Cl)cc1 20405696 SQUMCXNLFLBFQU-UHFFFAOYSA-N 310.806 3.226 0 40 DGAB CC(=O)c1ccc(NC(=O)CCN2C[C@@H](C)C[C@@H](C)C2)cc1 22197842 PYBDPZPOURMNON-OKILXGFUSA-N 302.418 3.196 0 40 DGAB O=C(Nc1nc2ccccc2nc1N1CCCC1)C1CCCC1 22202621 NSZTYFRNZCDCRX-UHFFFAOYSA-N 310.401 3.359 0 40 DGAB COc1cccc(O[C@@H](C)C(=O)Nc2cccc(C(C)=O)c2)c1 22515445 WNDDKSLRIPWTRL-ZDUSSCGKSA-N 313.353 3.304 0 40 DGAB COc1ccccc1NC(=O)NC[C@H](c1ccsc1)N(C)C 22766897 UGFKVCWMVSSEPP-CQSZACIVSA-N 319.430 3.181 0 40 DGAB COc1ccccc1[C@@H](C)NCc1cc(OC)c2c(c1)OCO2 22779961 JTUABDFWWFIACJ-GFCCVEGCSA-N 315.369 3.283 0 40 DGAB COC(=O)c1ccc(Cl)c(NC(=O)Cc2cccs2)c1 24040224 MVGSMWASPUCLID-UHFFFAOYSA-N 309.774 3.369 0 40 DGAB COCc1ccccc1CNC(=O)CCc1cccc(F)c1 25306411 HWVGBJMLCWAXIA-UHFFFAOYSA-N 301.361 3.221 0 40 DGAB c1ccc(CN2CSc3nnc(-c4ccccc4)n3C2)cc1 30824963 DPIYMIFQSKARDC-UHFFFAOYSA-N 308.410 3.468 0 40 DGAB C[C@H](OCc1ccccc1)C(=O)Nc1ccc(CN(C)C)cc1 30861802 IRQHSWRXHFMUDT-HNNXBMFYSA-N 312.413 3.292 0 40 DGAB C[C@H](OCC(F)(F)F)C(=O)Nc1nc2ccccc2s1 31664755 RBSPNTPOGASMEZ-ZETCQYMHSA-N 304.293 3.202 0 40 DGAB CCCCSCC(=O)Nc1cccc(N2CCOC2=O)c1 31929616 HCMHXQFGXYHZNR-UHFFFAOYSA-N 308.403 3.115 0 40 DGAB C[C@@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1ccccc1F 32754422 MLTCOUUAAKHTMO-ZDUSSCGKSA-N 321.417 3.422 0 40 DGAB O=C(N[C@H](c1ccccc1)C1CC1)[C@H]1CC(c2ccccc2)=NO1 33163419 JYXNYIXCGNLCSD-RTBURBONSA-N 320.392 3.447 0 40 DGAB Cc1ccc(N2C(=O)C[C@H](Nc3cccc(F)c3)C2=O)cc1C 36635458 YQCVVOHHMZFNGV-INIZCTEOSA-N 312.344 3.187 0 40 DGAB CC(C)Oc1ccc(CNC(=O)N[C@H](C)c2cccs2)cn1 40120692 FJBXLOFTFHTBPB-GFCCVEGCSA-N 319.430 3.491 0 40 DGAB O=C(O)C[C@@H](C(=O)O)c1csc(-c2ccc(Cl)cc2)n1 40165624 IFIWZBXMIAIKSU-SECBINFHSA-N 311.746 3.106 0 40 DGAB COc1cc(NC(=O)N[C@@H](C)c2ccc(C)o2)cc(OC)c1 40525943 FRBOHOFBGNVRDV-NSHDSACASA-N 304.346 3.488 0 40 DGAB CCCc1nnc(NC(=O)N2CCC[C@H]2c2cc(C)no2)s1 40554522 CBKKVEINZRRPNV-JTQLQIEISA-N 321.406 3.156 0 40 DGAB COC(=O)c1ccc(Nc2ccc(OC)c(Cl)c2)c(N)c1 41080241 YETCUPJSXVLBSD-UHFFFAOYSA-N 306.749 3.461 0 40 DGAB CC(C)c1noc(C2CCN(C(=O)Cc3cccs3)CC2)n1 41124119 RPKXXOYOCXOTLH-UHFFFAOYSA-N 319.430 3.203 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)C[C@H]3C=CCC3)c2)n1 47317454 KJKOXXKMOBCOAP-ZDUSSCGKSA-N 309.369 3.040 0 40 DGAB c1ccc2oc(Sc3nnc(N4CCCC4)s3)nc2c1 48894031 YSIWTHBTNQCLFX-UHFFFAOYSA-N 304.400 3.431 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)cc1 50081858 FDOLMEVQKWLURX-BFHYXJOUSA-N 305.422 3.220 0 40 DGAB Cc1ccc([C@@H](C)N(C)Cc2cc(=O)n3ccsc3n2)s1 53213082 IIMSKKDHVGHNKX-LLVKDONJSA-N 319.455 3.319 0 40 DGAB CCc1sc(C(=O)N2CCC[C@H](c3nc(C)no3)C2)cc1C 54660632 KBMKAJYJYJMMGE-LBPRGKRZSA-N 319.430 3.330 0 40 DGAB Cc1nn(C)c(C)c1-c1ccnc(N2CCc3ccccc3C2)n1 55042330 WRBHDKRASWRAAU-UHFFFAOYSA-N 319.412 3.057 0 40 DGAB COc1ccc(CCCNC(=O)Nc2ccccc2OC)cc1 56357865 GMNSSERVMQWIKD-UHFFFAOYSA-N 314.385 3.458 0 40 DGAB CC[C@H]1CCCN(C(=O)Nc2cc(C(=O)N(C)C)ccc2C)C1 57992356 UKOIZFSYVXBUPS-AWEZNQCLSA-N 317.433 3.351 0 40 DGAB Cc1cc(C)c(CNCCc2nnc3n2CCCCC3)c(C)c1 58014564 VQFNSCJXYXSHLF-UHFFFAOYSA-N 312.461 3.262 0 40 DGAB C[C@H](OC(=O)CC[C@@H](N)C(=O)O[C@H](C)C(C)(C)C)C(C)(C)C 61943398 NWFOJMQOKNLKHC-YNEHKIRRSA-N 315.454 3.050 0 40 DGAB COc1cccc(NC(=O)c2csc(-c3ccncc3)n2)c1 62636144 ZRIPGLMGCSOMLG-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H](C)c2ccc(F)cc2)cs1 65587518 XOISERJNIVQRIK-SNVBAGLBSA-N 307.394 3.493 0 40 DGAB CCCCN(C(=O)c1ccc(S(C)(=O)=O)cc1)[C@H](C)CC 69454260 XDBXTXFZAPFJOT-CYBMUJFWSA-N 311.447 3.131 0 40 DGAB CN(C[C@H]1CCCO1)C(=O)N[C@@H]1CCSc2c(F)cccc21 71796080 VAUBKDOQEOWBOF-BXUZGUMPSA-N 324.421 3.183 0 40 DGAB CCOc1ccc2cc(C(=O)N3CCC(OCC)CC3)[nH]c2c1 71820709 MBZSKZLCOZYCAR-UHFFFAOYSA-N 316.401 3.208 0 40 DGAB CCCOCCOC(=O)c1ccnc(N2C[C@H](C)C[C@@H](C)C2)c1 72311005 WSWUZSBECGAYJR-HUUCEWRRSA-N 320.433 3.147 0 40 DGAB CC(=O)N1CCC[C@@H](c2ccnc(Nc3ncccc3C)c2)C1 72368117 LYCNGVDPNLGLLM-MRXNPFEDSA-N 310.401 3.255 0 40 DGAB CCN(CC)C(=O)[C@@H](NCc1ncccc1C)c1ccccc1 75140156 QWFWYQKKTQLQOO-SFHVURJKSA-N 311.429 3.089 0 40 DGAB O=C(Nc1ccccc1F)N(CCO)[C@H]1CCc2ccccc21 75612879 CFYIQEQIEBPTHL-KRWDZBQOSA-N 314.360 3.339 0 40 DGAB O=C(Cc1ccccc1)Nc1cc(OCc2ccccc2)ncn1 77199506 RSHRGAZWBFDWGO-UHFFFAOYSA-N 319.364 3.237 0 40 DGAB C[C@H](NC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1F)c1cccnc1 79042885 KUWUKAODKYHJID-COLVAYQJSA-N 302.324 3.341 0 40 DGAB CN(C)c1ncccc1N(C)C(=O)[C@@H]1C[C@@]12CCc1ccccc12 79726323 JWDDUXAUORVTHG-OXJNMPFZSA-N 321.424 3.015 0 40 DGAB Cc1cc([C@H]2CCCN(Cc3nc4c(F)cccc4[nH]3)C2)n[nH]1 84111287 CCACLMQJCDAJOW-LBPRGKRZSA-N 313.380 3.113 0 40 DGAB Cc1ncc(Cl)c(C(=O)Nc2c(F)cccc2NC2CC2)n1 84290529 ZJMWTJJPTHPGAF-UHFFFAOYSA-N 320.755 3.404 0 40 DGAB COc1ccc(-c2cc(N(C)Cc3ncccc3C)[nH]n2)cc1 93193882 VEEKJDFTCQANKK-UHFFFAOYSA-N 308.385 3.425 0 40 DGAB COc1cccc(-n2cnnc2S[C@@H](C)C(F)(F)F)c1 95427168 DQQZVYBSRLOCAL-QMMMGPOBSA-N 303.309 3.319 0 40 DGAB CC(C)CC[C@@H]1CCCCN1C(=O)[C@@H]1CCn2ccnc2C1 95431904 HLFHVKUQLRNXRK-CVEARBPZSA-N 303.450 3.263 0 40 DGAB CC(C)(C)NC(=O)N1CCC[C@H]1c1nc(-c2ccccc2)n[nH]1 95455009 FJISVZFUQGAMNK-ZDUSSCGKSA-N 313.405 3.117 0 40 DGAB CCOC(=O)CC(=O)c1ccccc1NC(=O)OC(C)(C)C 95635220 ZWVKICHJUKXLQQ-UHFFFAOYSA-N 307.346 3.170 0 40 DGAB in-vitro CCn1cc2c(n1)CN(Cc1ccoc1)C[C@@H]2COCC1CC1 96060418 GXUICFSACFNQPA-MRXNPFEDSA-N 315.417 3.022 0 40 DGAB O=C1c2ccccc2-c2nn(Cc3ccon3)c3cccc1c23 96136951 NNSPBMCYHWMUKB-UHFFFAOYSA-N 301.305 3.284 0 40 DGAB c1cc(-c2ncnc3c2CCN(CC2CCCC2)CC3)ccn1 96187637 NKZIMKDTTXXGAW-UHFFFAOYSA-N 308.429 3.129 0 40 DGAB O=C(COCc1ccccc1)Nc1cccc(-c2ncc[nH]2)c1 96411642 LZHTZLPZFHANAD-UHFFFAOYSA-N 307.353 3.232 0 40 DGAB CCO[C@@H]1C[C@H](N(C)Cc2nc(C3CC3)no2)C12CCCC2 96419731 RDOCECRLELIADK-UONOGXRCSA-N 305.422 3.117 0 40 DGAB CSC1(CNC(=O)Nc2cccc3[nH]ccc23)CCOCC1 96434456 SOLJRBQPFSXPMM-UHFFFAOYSA-N 319.430 3.202 0 40 DGAB C[C@H](c1ccco1)N(C(=O)c1ccc(C(=O)O)s1)C1CC1 97017685 KJNSQSZQMBYNFX-SECBINFHSA-N 305.355 3.405 0 40 DGAB O=C(O)CCc1ccc(NC(=O)CCc2ccsc2)cc1 97018929 CTRWWZBUBXRUNB-UHFFFAOYSA-N 303.383 3.337 0 40 DGAB Cc1ncc([C@H](C)Nc2ccc(NC(=O)C3CC3)nc2)s1 97232161 FXIXXMFNYHYXOI-VIFPVBQESA-N 302.403 3.368 0 40 DGAB CC1=C(C(=S)Nc2ccccc2)[C@@H](c2ccco2)NC(=O)N1 100857966 RMFGKFLNNVZCRL-CQSZACIVSA-N 313.382 3.347 0 40 DGAB O=C(N[C@H](c1cc(F)ccc1F)C1CC1)N[C@H]1C[C@H]2CC[C@H]1O2 108106068 CYNKYAOHECPYCO-CAPXZKIUSA-N 322.355 3.035 0 40 DGAB C[C@]12CC[C@H]3[C@@H](CC[C@@H]4C[C@@H](O)[C@@H]5C[C@]34CO5)[C@@H]1CC[C@@]2(C)O 118936504 MCXPKMFJUSQFTA-JLPJHRDLSA-N 320.473 3.130 0 40 DGAB O=C(NCc1cccnc1)Nc1cc(F)ccc1OCC1CC1 191767282 WOTJILHHCHNDTP-UHFFFAOYSA-N 315.348 3.331 0 40 DGAB COc1ccc(C[S@](=O)Cc2nc(C)c(C)o2)cc1Cl 195558250 ITVSDBAFNNXXRG-FQEVSTJZSA-N 313.806 3.402 0 40 DGAB COc1ccc(C(=O)NCc2ccco2)cc1COC(C)C 224422817 BJXYGROKFKNERL-UHFFFAOYSA-N 303.358 3.143 0 40 DGAB COc1ccc(C[C@H](Oc2ccccc2)C(=O)O)cc1Cl 225122283 KIENXZXLOARFJH-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB Cc1cc(F)ccc1S(=O)(=O)N[C@@H](C)c1ccc(F)cc1 225594913 GVGMLFNDWRNYRN-NSHDSACASA-N 311.353 3.313 0 40 DGAB Cc1ccc(C)c(NC(=O)[C@H]2[C@H](C(=O)O)[C@H]3C=C[C@H]2C32CC2)c1 253476817 BMXJAVIZWRDJMQ-RRCSTGOVSA-N 311.381 3.155 0 40 DGAB C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@]12O 253617223 CWGZMGDCCGJNKL-CGBYLHDESA-N 304.430 3.282 0 40 DGAB C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)c1cnnc2ccccc12 529062829 CKVKEKBWDHDGHX-MFKMUULPSA-N 323.318 3.433 0 40 DGAB O=C(CC12CC3CC(CC(C3)C1)C2)NCCc1ccc(O)nc1 560516371 PLYBWDHXGDDQDF-UHFFFAOYSA-N 314.429 3.052 0 40 DGAB O=C(N[C@H]1CC[C@@H](CO)CC1)[C@H](c1ccncc1)C1CCCC1 585131958 KPXKENQYKZYLLI-QGTPRVQTSA-N 316.445 3.023 0 40 DGAB NC(=O)c1cnn2cc(-c3cccc(-c4ccccc4)c3)cnc12 1506398896 HFKARHAWQZXFHJ-UHFFFAOYSA-N 314.348 3.162 0 40 DGAB O=C(Nc1ccccc1Br)c1cc(C2CC2)ncn1 1888856737 BBHCPBKUSDYLQX-UHFFFAOYSA-N 318.174 3.369 0 40 DGAB O=C([C@H]1CCCOC1)N1CCc2cc(Cl)cc(Cl)c2C1 84209385 ACHHGXXLUZETQD-NSHDSACASA-N 314.212 3.305 0 40 DGAB Cc1ccccc1OCCC(=O)N(C)Cc1c(C)noc1C 47663351 XLXXFIIXWFQPFP-UHFFFAOYSA-N 302.374 3.027 0 40 DGAB Cc1noc([C@@H](OC(=O)c2scnc2C)c2ccccc2)n1 79701856 FWLMYGUASREKNJ-LBPRGKRZSA-N 315.354 3.089 0 40 DGAB CCO[C@H]1N=C(c2ccccc2)c2cc(Cl)ccc2NC1=O 2024797 YWSOBIMUIPVQQM-QGZVFWFLSA-N 314.772 3.492 0 40 DGAB Cc1nccc2oc(=O)c(NC(=O)c3ccc(Cl)cc3)cc12 1387701 JPXMMQNVXFDWIF-UHFFFAOYSA-N 314.728 3.402 0 40 DGAB Cc1nc(COC(=O)COc2ccccc2)nc2ccccc12 25355712 QBTVVYHJKZDHKF-UHFFFAOYSA-N 308.337 3.060 0 40 DGAB Cn1c(=O)c2c(c3ccccc31)OC(=O)C[C@H]2c1ccsc1 1427879 KBHWAKLTNNXQAT-LBPRGKRZSA-N 311.362 3.041 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)nc2n3CCCCC2)no1 9115112 AFPVVLGOSGZYNF-UHFFFAOYSA-N 310.357 3.311 0 40 DGAB Cc1ccc(C(=O)N(C)CCN(C)C(=O)c2ccc(C)cc2)cc1 6922780 QVPAJTCKVCYBGK-UHFFFAOYSA-N 324.424 3.148 0 40 DGAB COc1ccc(CNC(=O)c2ccc(Cl)cc2F)cc1OC 7955517 BBTYCRMRVKQOHX-UHFFFAOYSA-N 323.751 3.426 0 40 DGAB Cc1cc(C(=O)O)ccc1NS(=O)(=O)/C=C/c1ccccc1 12508633 CBJTZOQCUCAHOT-MDZDMXLPSA-N 317.366 3.106 0 40 DGAB Cc1csc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)n1 97112112 NLXGELULTGBPCK-GFCCVEGCSA-N 303.431 3.004 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)Nc1cccc(Cl)c1 1972420 JJQROHVDDYHZJE-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB O=C(Nc1ccnn1Cc1cccc(Cl)c1)c1ccco1 10023678 KFVSTEMPRGGHNO-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB CN1CCN(C(=O)NC2CCCCC2)[C@H](c2ccccc2)C1 58120554 NBSLVPIOBHKZJX-KRWDZBQOSA-N 301.434 3.017 0 40 DGAB C[C@H](NC(=O)c1cc(O)nc2ccccc12)[C@@H]1C[C@@H]2CC[C@@H]1C2 102999156 IQZIOBLUWYVRBK-JLNYLFASSA-N 310.397 3.495 0 40 DGAB CS[C@@H](C)C(=O)N(C)CCCc1cc(-c2ccccc2)n[nH]1 58342884 YZHCAAIXRAZKBU-ZDUSSCGKSA-N 317.458 3.219 0 40 DGAB Cc1c(C(=O)NCc2cnn(C)c2)oc2ccc(Cl)cc12 27912296 NYLZDLGIRDYKQM-UHFFFAOYSA-N 303.749 3.058 0 40 DGAB O=C(CSc1ncnc2c1oc1ccccc12)N1CCCC1 2467154 SNTGUZWUDGXDTB-UHFFFAOYSA-N 313.382 3.091 0 40 DGAB CCc1ccc(CCC(=O)NCCCN2CCCCC2)cc1 10279374 YAACJJIYLALQAG-UHFFFAOYSA-N 302.462 3.174 0 40 DGAB Cc1cc(NC(=O)CNc2ccc(Cl)c(Cl)c2)no1 12693365 GWLRIAIAMZGRQD-UHFFFAOYSA-N 300.145 3.340 0 40 DGAB CC(=O)c1ccc(C)cc1OCC(=O)N[C@H]1CCCC[C@@H]1C 12682601 MHOSFFQMKRGNRB-BBRMVZONSA-N 303.402 3.271 0 40 DGAB CC(C)(C)SCCNC(=O)c1cc(F)c(F)c(O)c1F 97374763 HJLACNVMEPQQPY-UHFFFAOYSA-N 307.337 3.071 0 40 DGAB CCS(=O)(=O)Nc1cccc(C(=O)Nc2cccc(C)c2)c1 29505232 VCOZHZDCYQPHMY-UHFFFAOYSA-N 318.398 3.009 0 40 DGAB Cn1ccnc1C[S@@](=O)Cc1c(Cl)cccc1Cl 95412176 DUZXWDAORVOCGD-GOSISDBHSA-N 303.214 3.176 0 40 DGAB Cc1cccc(C(=O)NCCc2ccc(-n3cccn3)cc2)c1 12937592 RMUQINXVAKLLMF-UHFFFAOYSA-N 305.381 3.153 0 40 DGAB Cc1nccc(C(=O)N(C)Cc2cccc(Cl)c2Cl)n1 48705193 OCDLCECHZXSVSN-UHFFFAOYSA-N 310.184 3.364 0 40 DGAB O=C1NC(=O)c2ccccc2/C1=C\c1csc(-c2ccco2)n1 84576884 IYJJFRQTISIGBU-MDWZMJQESA-N 322.345 3.214 0 40 DGAB Cc1noc(C)c1CSCC(=O)Nc1cc(F)ccc1F 13135367 IDCONFOVLJYLEV-UHFFFAOYSA-N 312.341 3.442 0 40 DGAB CSc1nc2ccc(NC(=O)c3cnccn3)cc2s1 14501113 YVDOAWXSRLCYBM-UHFFFAOYSA-N 302.384 3.061 0 40 DGAB O=C(NCc1cccnc1)c1ccc2c(c1)C(=O)c1ccccc1-2 5521142 AGTDVJKDHOHZNA-UHFFFAOYSA-N 314.344 3.223 0 40 DGAB Cc1cc(CSCC(=O)N[C@@H](C)Cc2ccccc2C)on1 96433406 ZUTRRWRJDGHOPN-ZDUSSCGKSA-N 318.442 3.272 0 40 DGAB CC(=O)Nc1cccc(NC(=O)COc2ccc3c(c2)CCC3)c1 7000339 GRKVZXZGSRYJPI-UHFFFAOYSA-N 324.380 3.151 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CSCc1ccc2c(c1)OCO2 7149641 VIXCORGCIXLJID-OCCSQVGLSA-N 321.442 3.343 0 40 DGAB CCCCc1nc(CN2CCCC[C@@H]2Cn2cncn2)cs1 71876412 JSKYOSOGZRCSEY-OAHLLOKOSA-N 319.478 3.132 0 40 DGAB Cc1ccc(C)c(CN(C)S(=O)(=O)c2ccc(F)cc2)c1 7779547 BRRAOJGYUWVONL-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB Cc1cc(-c2csc(NC(=O)C3=COCCO3)n2)c(C)s1 9691542 WTXJNMSIPJESIX-UHFFFAOYSA-N 322.411 3.315 0 40 DGAB CC(C)(C)C(=O)N1CCN(C(=O)CC2CCCC2)C(C)(C)C1 95987147 AIGKAFDBOUVDRT-UHFFFAOYSA-N 308.466 3.062 0 40 DGAB CN(CCc1ccncc1)Cc1csc([C@H]2CCCO2)n1 97051158 UCSVOXJLVWAFLD-OAHLLOKOSA-N 303.431 3.064 0 40 DGAB CCN1CCC[C@H]1[C@@H]1CCCN1C(=O)c1ccc2cc[nH]c2c1 69893884 OVCDJAXNPCIUEO-ROUUACIJSA-N 311.429 3.257 0 40 DGAB C[C@@H](C(=O)O)[C@H](NC(=O)c1cccc2cc[nH]c12)c1ccccc1 97035722 KHZNYMVVDXESQA-WBMJQRKESA-N 322.364 3.360 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)c2c(C)noc2C)n1 72232443 LHAFYGOOIRMRHL-GFCCVEGCSA-N 305.403 3.424 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)Nc2ccccc2O)c1 8919643 LBKOYDTYMGZXRS-UHFFFAOYSA-N 300.314 3.213 0 40 DGAB COC(=O)[C@H]1CCCCC[C@@H]1NCc1nc2ccccc2o1 95941448 GPMDUHNDQJMJCB-STQMWFEESA-N 302.374 3.039 0 40 DGAB Cc1cnn(CCN[C@H](C)c2ccc(Br)cc2)c1 89702498 IJLOGWKCNOJAAN-GFCCVEGCSA-N 308.223 3.305 0 40 DGAB c1ccc(OCCN2CCC[C@@H](c3noc(C4CC4)n3)C2)cc1 76047233 NDBPLQBEXGXJCU-OAHLLOKOSA-N 313.401 3.205 0 40 DGAB Cc1nc(Nc2ccc(Cl)cn2)sc1C(=O)NC1CC1 65306236 UGHVTLDBXFIOHI-UHFFFAOYSA-N 308.794 3.136 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@H]3C=C[C@@H]([C@@H]4C[C@@H]34)[C@H]2C1=O 408726832 CMIUHJOORKOJFX-OBPPPDSMSA-N 313.784 3.206 0 40 DGAB O=C1C[C@@H](C(F)(F)F)c2c(c(C(=O)O)cn2-c2ccccc2)N1 66089647 WAGSRBQYKITVNO-SNVBAGLBSA-N 324.258 3.164 0 40 DGAB Cn1ccnc1CN1CC[C@@H](Cc2cnc3ccccc3c2)C1 72368076 BZTWMVPVOKDBMO-HNNXBMFYSA-N 306.413 3.033 0 40 DGAB CCc1nc([C@@H](C)NC(=O)NCc2scnc2C)cs1 78925668 LRBFKNDQNJCOOU-MRVPVSSYSA-N 310.448 3.031 0 40 DGAB O=C(c1cncs1)N1CC[C@@H](Cc2cccc3cccnc23)C1 72368465 KZBJGMQAOGHVIB-ZDUSSCGKSA-N 323.421 3.396 0 40 DGAB Cc1cc(C)c(C(=O)O)cc1NC(=O)c1ccc2n[nH]cc2c1 526076068 XALAMIHNIPQSEA-UHFFFAOYSA-N 309.325 3.130 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C)c1 222986772 KBTXDTWBIBXXFP-CVEARBPZSA-N 314.458 3.193 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NCc1ccncc1 224321551 RDOLCGHBCIDOEQ-LJQANCHMSA-N 324.424 3.434 0 40 DGAB COc1ncccc1CNC1(c2noc(C(C)C)n2)CCCC1 193363461 JTSHKUOUHFXYCH-UHFFFAOYSA-N 316.405 3.156 0 40 DGAB Cc1ccc(F)cc1NC(=O)C(=O)NCc1ccc(Cl)cc1 42646111 OZWZIYVLTNUBRE-UHFFFAOYSA-N 320.751 3.042 0 40 DGAB Cc1cc(C)nc(Nc2cccc(C(=O)N3CCCCC3)c2)n1 225915557 DHXKZGDPTZWUPI-UHFFFAOYSA-N 310.401 3.463 0 40 DGAB CCOC(=O)[C@@H](NC(=O)CC(F)(F)F)c1ccc(Cl)cc1 193872407 PHVKLMOAQYFSPU-NSHDSACASA-N 323.698 3.013 0 40 DGAB COC(=O)c1cc(C(C)=O)ccc1OCc1cccc(OC)c1 85397450 OUMJOIQVTYEEDE-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB CS[C@@H]1CC[C@@H](NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 195545432 VISPBCRVSAADKV-JGGQBBKZSA-N 322.474 3.249 0 40 DGAB Cc1ccc2c(c1)[C@H](NCCc1nnc3ccccn13)[C@H](C)C2 195553437 SQDCJONJRDZIAB-AUUYWEPGSA-N 306.413 3.103 0 40 DGAB Cc1cc(C(=O)NCC(C)C)ccc1NC[C@H]1CCCOC1 331177897 LRYYPXAPOILMML-OAHLLOKOSA-N 304.434 3.219 0 40 DGAB CS(=O)(=O)c1ccccc1N1CCC[C@H]1c1ccsc1 97212914 NGLADBWHKGEOMA-ZDUSSCGKSA-N 307.440 3.493 0 40 DGAB COc1ccc(-c2ccnc3nc(-c4ccco4)nn23)c(F)c1 96345166 BIYPWCCMCDQMJZ-UHFFFAOYSA-N 310.288 3.199 0 40 DGAB Cn1cc(NC2CCN(Cc3ccc(Cl)cc3)CC2)cn1 97237663 LLUJFKWTYTXZBL-UHFFFAOYSA-N 304.825 3.150 0 40 DGAB O=C1[C@@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 239433584 YBLZXUZBJJSUKZ-GYBADROVSA-N 308.164 3.305 0 40 DGAB Cn1c(SCCC(=O)c2ccc(F)cc2)nnc1C1CC1 90997687 AISZMRMARUQLIF-UHFFFAOYSA-N 305.378 3.197 0 40 DGAB COc1ccc(C)c(NC(=O)NCC(C)(C)[C@H](O)C(C)C)c1 96484135 IMWSKSFUOKYKDX-OAHLLOKOSA-N 308.422 3.168 0 40 DGAB C[C@H](CNCc1ccc(Br)cc1)Oc1ccccn1 95472045 IGNAEEZEMCNXFV-GFCCVEGCSA-N 321.218 3.401 0 40 DGAB C[C@H](NC(=O)c1cccnc1S)c1cccc(-n2ccnc2)c1 96432118 YGYSGRSENXNNFL-LBPRGKRZSA-N 324.409 3.047 0 40 DGAB COc1cc(CSc2nnc(-c3cccs3)n2C)sn1 585118344 LEKKSUZLIAZMSP-UHFFFAOYSA-N 324.456 3.301 0 40 DGAB O=C(NCc1nc2ccccc2o1)Nc1nc(C2CC2)cs1 585120036 JIESYCUQKMYLHS-UHFFFAOYSA-N 314.370 3.483 0 40 DGAB c1ccc2c(Cc3noc(C4CCOCC4)n3)nsc2c1 585120427 MYSUGQKZTKCWNN-UHFFFAOYSA-N 301.371 3.164 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)c3scnc3C)C2)s1 257252256 JUDGEQKSNOFTRF-NSHDSACASA-N 307.444 3.236 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)c3c(C)noc3C)C2)s1 257251621 JRMBGJTZUZERNA-GFCCVEGCSA-N 305.403 3.076 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@@H](Cc3ccccn3)C2)c1 257218811 DEMLNEQWHGHTHS-KRWDZBQOSA-N 324.424 3.114 0 40 DGAB c1ccc(CO[C@@H]2CSC3(C2)CN(CC2CCCC2)C3)nc1 585103223 AFGFAMASCRLJCS-KRWDZBQOSA-N 318.486 3.348 0 40 DGAB Cc1cnn([C@@H]2CCCN(C(=O)[C@@H](C)c3cc(C)oc3C)C2)c1 69489763 WYIYFXMUDKEFKS-GOEBONIOSA-N 315.417 3.369 0 40 DGAB COc1ccc(CCN(Cc2nnc(C)o2)CC(C)(C)C)cc1 71909042 MSRAKSMOHMNRPR-UHFFFAOYSA-N 317.433 3.477 0 40 DGAB C[C@@H](Nc1ccc2c(c1)OCCO2)c1nc(C(C)(C)C)no1 40494008 MQPWTGIYWADYEV-SNVBAGLBSA-N 303.362 3.311 0 40 DGAB C[C@H](c1ccc(Cl)cc1)S(=O)(=O)C[C@@H]1CCCCO1 79013866 BDHWQDPTECHRKC-RISCZKNCSA-N 302.823 3.385 0 40 DGAB Cc1cccc(C)c1NC(=O)NC[C@H](O)c1ccc(F)cc1 40526394 LZXCIYQVDKYTGG-HNNXBMFYSA-N 302.349 3.298 0 40 DGAB C[S@@](=O)CCC(=O)Nc1ccc(Oc2cccc(F)c2)cc1 95978347 OYKJBMFWDVHXOD-QFIPXVFZSA-N 321.373 3.325 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H]2CCCN(c3ccc(C)nn3)C2)c1 585234377 NAUDSTWUHDGBNA-MRXNPFEDSA-N 324.428 3.257 0 40 DGAB O=C(NCCCc1ccccc1)c1cnc(-c2ccccc2)[nH]1 554800326 NJLCVZWVWBVXSX-UHFFFAOYSA-N 305.381 3.439 0 40 DGAB Cc1ccc(OC[C@H]2CCCN2c2ncnc3[nH]ccc23)cc1 1942246450 BVNKNULPURLBBF-CQSZACIVSA-N 308.385 3.314 0 40 DGAB CCCC(=O)Nc1cc(/C=C/C(=O)O)ccc1Br 226357273 JWSWTSKIQNQZOA-FNORWQNLSA-N 312.163 3.286 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2OCC)cc1 5214485 OIQDKEMVSVFJBP-UHFFFAOYSA-N 321.398 3.285 0 40 DGAB CCC(=O)c1ccc(OC[C@H](O)CN2[C@@H](C)CCC[C@H]2C)cc1 16739466 WKLGIIULCGMLEB-HLLBOEOZSA-N 319.445 3.282 0 40 DGAB CCC[C@@H](CC)Sc1nc2c([nH]1)c(=S)n(C)c(=O)n2C 17379723 XQFXPCBOBLRMLU-MRVPVSSYSA-N 312.464 3.000 0 40 DGAB COc1ccc(CN2CCN(C[C@@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19359701 XSVHECDLKBVVBE-QYZOEREBSA-N 312.457 3.025 0 40 DGAB CCCCCC(=O)Nc1cc(OC)c2nc(NN)sc2c1 226309018 SVJGSPHWGSHAAW-UHFFFAOYSA-N 308.407 3.109 0 40 DGAB COc1ccc(O)c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1 4979918 PBRQEXKWRUASAX-SYLKQSLASA-N 314.385 3.003 0 40 DGAB CCc1nc2ccccc2c(C(=O)OCC(=O)c2ccc[nH]2)c1C 4977569 YMPJEFDESAUPDV-UHFFFAOYSA-N 322.364 3.473 0 40 DGAB Clc1cccc2sc(N3CCC4(CC3)OCCO4)nc12 1888941661 ZXJSTFSAYVIVDC-UHFFFAOYSA-N 310.806 3.293 0 40 DGAB c1ccc(N2C[C@@H]3CCN(c4nccc5ccccc45)[C@H]3C2)nc1 1889208827 SWECFVALNGKOFS-WMZOPIPTSA-N 316.408 3.345 0 40 DGAB Cc1oc(-c2cccs2)nc1CN1CCC2(CC1)OCCO2 28079138 FUPNGZXWQNETDV-UHFFFAOYSA-N 320.414 3.050 0 40 DGAB Cc1ccc(COC(=O)c2nnn(-c3ccccc3)c2C)cc1 12415696 HPYZJZJBTHFJDA-UHFFFAOYSA-N 307.353 3.241 0 40 DGAB O=C(Nc1nnc(Cc2ccc(Cl)s2)o1)c1ccco1 13653696 ITZDTBJBPOFHML-UHFFFAOYSA-N 309.734 3.221 0 40 DGAB Cc1cc(NC(=O)N[C@@H]2CC(C)(C)Cc3oc(C)cc32)n(C)n1 40119141 NGDDMZVUUBCDFG-CYBMUJFWSA-N 316.405 3.465 0 40 DGAB Cn1ccnc1[C@H](NCc1ccsc1)c1ccc(F)cc1 30645081 CHBHKOMVGGFDDK-OAHLLOKOSA-N 301.390 3.500 0 40 DGAB FC(F)(F)c1ccnc(Oc2ccc(-n3ccnc3)cc2)n1 40490468 RRYVGGZZCZHDAV-UHFFFAOYSA-N 306.247 3.473 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NOCc1ccccc1 31615950 YVGMFCHHZUWHRK-VAWYXSNFSA-N 319.364 3.134 0 40 DGAB CCCCOc1cc(C)c(C)cc1S(=O)(=O)N1CCCC1 31903898 XISUXUKWFVUXAR-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB O=C(O)c1cccc(CSc2nnc(NC3CC3)s2)c1 32724286 JGXUXECXAHQDHG-UHFFFAOYSA-N 307.400 3.103 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)/C=C/c1cc(Cl)cc(Cl)c1 32923966 DEJCKVLWDBLOON-KXMPLOMGSA-N 324.211 3.408 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)ccc1Cl 103543742 MPXZKJSNROLDGS-QQXRRDQMSA-N 308.164 3.305 0 40 DGAB O=C(Cn1cnc2sccc2c1=O)c1ccc2ccccc2c1 23064734 JJVDDVLAXXDDPK-UHFFFAOYSA-N 320.373 3.494 0 40 DGAB CCSc1nc(NC(N)=O)c2c3c(sc2n1)CCCC3 102933 AKRGNUOZWXCIGE-UHFFFAOYSA-N 308.432 3.173 0 40 DGAB Cc1nc(N2C[C@H](C)O[C@@H](C)C2)c2c3c(sc2n1)CCCC3 126519 HMFBMXWUSIKGNT-QWRGUYRKSA-N 317.458 3.492 0 40 DGAB Cc1nnc2sc(-c3cccc(NC(=O)CC(C)C)c3)nn12 558312 VNYQBKRGSOGZMN-UHFFFAOYSA-N 315.402 3.146 0 40 DGAB O=C(Nc1nnc(N2CCCC2)s1)c1ccccc1Cl 1418521 OLJCBMAXOGRZIQ-UHFFFAOYSA-N 308.794 3.044 0 40 DGAB CCCC(=O)Nc1ccc2c(c1)nc(CN1CCCCC1)n2C 1428973 BXBXJIOTUHSIRT-UHFFFAOYSA-N 314.433 3.298 0 40 DGAB CCCC[C@@H](C(=O)O)[C@H](C)CC(=O)Nc1cccc(C(=O)O)c1 2302596 RDRKSNUMTIBROZ-BXUZGUMPSA-N 321.373 3.241 0 40 DGAB Cc1ccc2c(c1)[nH]c1c(=O)n(Cc3ccc(F)cc3)cnc12 2449493 VQCXVGXNKRUZCV-UHFFFAOYSA-N 307.328 3.374 0 40 DGAB COc1ccccc1OCc1ccc(C(=O)NC(C)(C)C)o1 2752281 UALIGSCDMSVKSH-UHFFFAOYSA-N 303.358 3.396 0 40 DGAB COc1ccc(-c2cn3c4ccccc4nc3n2CCCO)cc1 4114775 PHHIRMPPXBDVHJ-UHFFFAOYSA-N 321.380 3.347 0 40 DGAB CCCCOc1ccc(C(=O)CSC(=N)N)cc1Cl 4372504 YIYSGJFMEXVVEV-UHFFFAOYSA-N 300.811 3.328 0 40 DGAB CCOC(=O)[C@@H]1C(C)=NC(S)=N[C@H]1/C=C/c1ccccc1 5717653 JDFVTFTWJCZLDH-XACNLCELSA-N 302.399 3.008 0 40 DGAB CCCOC(=O)c1cccc(Nc2nc(CCC)cc(=O)[nH]2)c1 5886817 GYUSRRQKIDMEJT-UHFFFAOYSA-N 315.373 3.033 0 40 DGAB CC[C@@H](NC(=O)CSc1ncccn1)c1ccc(C)cc1 6850085 QDSRFSYXLQKCGF-CQSZACIVSA-N 301.415 3.145 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)c(F)c1 7032008 COFXRLMYUNKMBS-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CCN(c1ccccc1)S(=O)(=O)c1cccc(C(C)=O)c1 7386566 IIXKVFXDEBOSCN-UHFFFAOYSA-N 303.383 3.104 0 40 DGAB CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)NCc1ccccc1 7943301 IZQYHEIAVUEONR-IBGZPJMESA-N 320.392 3.267 0 40 DGAB COc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(C)C 8477722 SZZLTHRZUOWFIT-UHFFFAOYSA-N 311.447 3.430 0 40 DGAB O=S(=O)(Nc1nc2ccc(F)cc2s1)c1cccs1 8864731 KYGBBIZHYHLBIZ-UHFFFAOYSA-N 314.388 3.298 0 40 DGAB COc1cc(C(=O)Nc2ncccc2C)ccc1OC(F)F 9338884 HNVVHTWTKJJYHC-UHFFFAOYSA-N 308.284 3.252 0 40 DGAB Cc1ccc(N2CCn3c(SCc4cccnc4)nnc32)cc1 9651762 HNBIGRZPBZIXBT-UHFFFAOYSA-N 323.425 3.426 0 40 DGAB Cc1cc(=O)oc2cc(NC(=O)Cc3ccc(F)cc3)ccc12 12748207 FWQKISNWJPCFEJ-UHFFFAOYSA-N 311.312 3.422 0 40 DGAB Cc1ccc2c(COC(=O)CCc3ccco3)cc(=O)oc2c1 12794048 UESGPMHNBUPCCD-UHFFFAOYSA-N 312.321 3.370 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1cc2c(s1)CCC2)c1cccs1 13387988 HHVLHRYPYALHDG-SNVBAGLBSA-N 321.423 3.244 0 40 DGAB COc1ccc(C(=O)NCCc2c[nH]c(-c3ccccc3)n2)cc1 13607266 FZSMGDPURUPLCC-UHFFFAOYSA-N 321.380 3.058 0 40 DGAB Fc1ccc(F)c(-c2nn3c(-c4ccco4)nnc3s2)c1 13725953 XCWNMAOAAXEBHQ-UHFFFAOYSA-N 304.281 3.391 0 40 DGAB Cc1cccc(O[C@@H](C)C(=O)NCCSCc2ccco2)c1 14396960 ZDGZLSPCQUOYMA-AWEZNQCLSA-N 319.426 3.405 0 40 DGAB CC(C)Oc1ccc(C(=O)NC[C@@H](c2ccco2)N(C)C)cc1 15831470 KUFZKDVBEOAWCI-INIZCTEOSA-N 316.401 3.100 0 40 DGAB Cc1ccc([S@](=O)/C=C/S(=O)(=O)c2ccc(C)cc2)cc1 16932097 GTPJYKULSJJURI-SGWGQVFISA-N 320.435 3.356 0 40 DGAB C[C@H](Oc1ccccc1)C(=O)Nc1cccc(N2CCCC2=O)c1 19311706 SZYHGKSILAEVTD-AWEZNQCLSA-N 324.380 3.219 0 40 DGAB O=C1CN(C(=O)c2ccccc2C(F)(F)F)c2ccccc2N1 22064125 AILDDGXOZZHOBE-UHFFFAOYSA-N 320.270 3.304 0 40 DGAB CCN(CC)c1ccc(NC(=O)c2cc(C(C)=O)cn2C)cc1 23193148 PMVKCEMDFNUHQX-UHFFFAOYSA-N 313.401 3.326 0 40 DGAB O=C(Nc1cccnc1)N1CCN(c2cccc(Cl)c2)CC1 24535534 CPVMNFAYAMBMCP-UHFFFAOYSA-N 316.792 3.089 0 40 DGAB Cc1nc(NC(=O)C[C@@H]2C=CCC2)sc1-c1nccn1C 25143740 HEERBHGLVNDFOP-LLVKDONJSA-N 302.403 3.147 0 40 DGAB COC[C@@H](C)NC(=O)CNc1ccccc1Oc1ccccc1 25604422 IVENTORIIZNSQF-CQSZACIVSA-N 314.385 3.042 0 40 DGAB CN(C)[C@@H](CNC(=O)c1cc2c(s1)CCC2)c1ccsc1 25812843 RLWXSBFAWQPISR-ZDUSSCGKSA-N 320.483 3.331 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@H]2CCCO2)c(C)n1Cc1ccco1 27868402 AIMVIIRULDPTGG-CXAGYDPISA-N 316.401 3.044 0 40 DGAB O=C(Cc1cccs1)Nc1cccc(CN2CCCC2=O)c1 29286932 KOQFVWHLRWHJEA-UHFFFAOYSA-N 314.410 3.052 0 40 DGAB CCCCCOc1ccc(OCCCN2CCOCC2)cc1 31923647 XKQJMDRAUBEGQG-UHFFFAOYSA-N 307.434 3.357 0 40 DGAB CC1(C)Cc2cccc(OCCNC(=O)[C@@H]3CC=CCC3)c2O1 32049743 LYDGGAUSDPAIPC-CQSZACIVSA-N 315.413 3.251 0 40 DGAB CC[C@H](C)c1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1 36736261 XHXYDKJDAKKDMD-JTQLQIEISA-N 307.419 3.341 0 40 DGAB Cc1cc(C(=O)N[C@H](C)c2ccc(Br)cc2)on1 37115243 WWHCHWWZAODAAW-SECBINFHSA-N 309.163 3.237 0 40 DGAB Nc1cc(C(=O)O)ccc1Nc1ccc(Br)cc1 37930514 NXVWPLLENAAKBS-UHFFFAOYSA-N 307.147 3.473 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccccc2F)cc1F 40098004 DROXUJGWAWZJLA-HNNXBMFYSA-N 306.312 3.128 0 40 DGAB CCN(Cc1ccc(OC)c(OC)c1)C(=O)c1scnc1C 40533833 VGQRMFVHVYONDT-UHFFFAOYSA-N 320.414 3.131 0 40 DGAB COc1cccc([C@H](CNC(=O)/C=C/c2ccccc2)N(C)C)c1 41800113 GTXZTJKYPIHWTQ-HYSAVQALSA-N 324.424 3.128 0 40 DGAB CCOC(=O)CCCCC(=O)c1cc(OC)c(OC)cc1OC 43214411 DQBOUPCXFWYHGI-UHFFFAOYSA-N 324.373 3.019 0 40 DGAB CCN(CC)CC(=O)Nc1nc(C)c(-c2ccccc2)s1 47080605 ISCVJALAVAXARV-UHFFFAOYSA-N 303.431 3.399 0 40 DGAB COc1ccc(CN(C)C(=O)CCc2ccccc2F)cc1 47341030 VMBBGZDMIHXSCK-UHFFFAOYSA-N 301.361 3.426 0 40 DGAB COc1ncccc1NC(=O)NCc1ccccc1OC(F)F 48310571 OWYZAVZWAMMRBD-UHFFFAOYSA-N 323.299 3.013 0 40 DGAB CCN(C(=O)COC(=O)c1cccc(F)c1)c1ccccc1 51356465 ZOZFETMJEFBWHO-UHFFFAOYSA-N 301.317 3.036 0 40 DGAB Cc1noc([C@H]2CCCN(c3nc4ccccc4s3)C2)n1 53576564 CHPLQTOGGDFYER-NSHDSACASA-N 300.387 3.372 0 40 DGAB CCCC(=O)N1CCC[C@H]1C(=O)N[C@H](C)c1cc(C)sc1C 55285389 XPAVKIFVCKKVKB-DOMZBBRYSA-N 322.474 3.333 0 40 DGAB Cc1ccsc1C(=O)N(C)Cc1nccn1CC(F)(F)F 57792742 ALIDOWZFNPPGCC-UHFFFAOYSA-N 317.336 3.088 0 40 DGAB Cc1c(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)cnn1C 57811144 IAKWMBRMNBVGCZ-GOSISDBHSA-N 317.408 3.049 0 40 DGAB Cc1ccc(C)c([C@H](C)NCc2nnnn2-c2ccccc2)c1 58049479 YOEOCUUPIAHAFU-HNNXBMFYSA-N 307.401 3.130 0 40 DGAB COc1ccc(C)cc1NC(=O)CNCc1cccc(Cl)c1 58161144 MIPMHJBCAQXAPB-UHFFFAOYSA-N 318.804 3.385 0 40 DGAB CN(C)[C@H](CNC(=O)N1CCc2ccccc21)c1ccccc1 58845034 RUAWOUYTQHETBT-GOSISDBHSA-N 309.413 3.062 0 40 DGAB O=C(Nc1cccnc1)N(Cc1ccncc1)Cc1cccnc1 60062152 VVPVEDRGXWKSGA-UHFFFAOYSA-N 319.368 3.106 0 40 DGAB COc1cccc(CCCNC(=O)COc2ccccc2C)c1 66435469 WVMXTESZSMMHKE-UHFFFAOYSA-N 313.397 3.131 0 40 DGAB CC(C)CCC[C@@H](C)NC(=O)c1ccccc1S(C)(=O)=O 69294610 FMGQSSKUGBSCRG-CYBMUJFWSA-N 311.447 3.035 0 40 DGAB CCOc1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1OC 69392947 FAGVSVCQAOFGOX-KGLIPLIRSA-N 312.369 3.231 0 40 DGAB COC[C@@H](C)NC(=O)N(Cc1ccc(OC)cc1)[C@@H](C)C1CC1 69419153 IDXYHWGLHGPEEZ-KGLIPLIRSA-N 320.433 3.040 0 40 DGAB CC(=O)NCc1ccccc1-c1ccc(Cn2ccnc2)cc1 69518532 NXTCPFFFCZJJLB-UHFFFAOYSA-N 305.381 3.235 0 40 DGAB C[C@H](OC[C@@H]1CCCCO1)C(=O)N(C)[C@H]1CCc2ccccc21 69874853 INNXRNPVCBSIAT-ZVZYQTTQSA-N 317.429 3.107 0 40 DGAB CC(C)CC(=O)Nc1ccc(NC(=O)[C@H]2CCCCN2C)cc1 69975753 VGIJRDYFTPXBRJ-MRXNPFEDSA-N 317.433 3.094 0 40 DGAB CC(C)Cc1nnc([C@@H](C)Sc2nnnn2C2CCCC2)o1 71893938 ZOZCKELMEGZQPU-SNVBAGLBSA-N 322.438 3.223 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)c3ncoc3CC)C2)n1 72292378 OSLGJLPHWHTJDY-NSHDSACASA-N 319.430 3.276 0 40 DGAB C[C@@H]1CCN(C(=O)[C@@H](C)Oc2cccnc2)[C@@H](c2ccco2)C1 75386744 AXOBXOPFAPLVKC-IIAWOOMASA-N 314.385 3.442 0 40 DGAB O=C(Nc1cccn(Cc2ccccc2)c1=O)[C@@H]1CC=CCC1 88267839 GMNXFGJPSBWQLN-MRXNPFEDSA-N 308.381 3.191 0 40 DGAB CCc1sc(C(=O)N2CCC[C@H](c3ccn[nH]3)C2)cc1C 89280285 APVVECLPFFFADJ-LBPRGKRZSA-N 303.431 3.362 0 40 DGAB COc1ccccc1N1CCC[C@H](NC2CCSCC2)C1 89473864 WGWOBFXQKXYNKA-HNNXBMFYSA-N 306.475 3.149 0 40 DGAB CC(C)n1cc([C@@H](C)N[C@H](C)C(=O)Nc2ccccc2)cn1 89616482 DUDUJDYZJDFNNS-ZIAGYGMSSA-N 300.406 3.142 0 40 DGAB O=C1CCC(C(=O)O)(c2ccc(F)c(Br)c2)CC1 90651086 RJFMYUWHXLZDOQ-UHFFFAOYSA-N 315.138 3.054 0 40 DGAB CC1(C)C[C@H](NCc2cccnc2OCC(F)F)C(C)(C)O1 90942080 SFEZCQWUICHNLC-LBPRGKRZSA-N 314.376 3.161 0 40 DGAB Cc1cc(N[C@@H](C)c2cnn(C)c2)nc(-c2ccccc2O)n1 91426585 OUXMMLKSSCMIDE-LBPRGKRZSA-N 309.373 3.064 0 40 DGAB C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(CC(F)(F)F)C1 95412527 YZGSSIPVOYMIIM-WDEREUQCSA-N 310.360 3.174 0 40 DGAB CC(C)(C)NC(=O)N1CCC[C@@H]1c1nc(-c2ccccc2)n[nH]1 95455008 FJISVZFUQGAMNK-CYBMUJFWSA-N 313.405 3.117 0 40 DGAB Cc1ccccc1-c1nnc(CNc2c(C)cccc2C(N)=O)o1 95966036 FGKLAVMHTATNSS-UHFFFAOYSA-N 322.368 3.064 0 40 DGAB C[C@@H](c1cccnc1)N(C)Cc1nnc(-c2cccs2)o1 95977299 LSXQXDIUXQXXSJ-NSHDSACASA-N 300.387 3.386 0 40 DGAB CC(C)OC[C@@]12CCCO[C@@H]1CCN(C(=O)c1ccsc1)C2 96040512 LAPUEBVKYADKKT-WBVHZDCISA-N 323.458 3.184 0 40 DGAB Cc1noc([C@H]2C[C@@H]3CCN(Cc4sccc4C)C[C@H]3O2)n1 96042733 VUTHFZLSSCSXHJ-BFHYXJOUSA-N 319.430 3.100 0 40 DGAB CC1(C)CC(=O)N(CC(=O)N2CCCCCC2)c2ccccc21 96183225 DEDFRTLDJFLCFH-UHFFFAOYSA-N 314.429 3.104 0 40 DGAB O=C1CCN(C(=O)C2CC2)c2ccccc2N1Cc1ccccc1 96416509 BGEWMNSTMQHBFH-UHFFFAOYSA-N 320.392 3.367 0 40 DGAB O=c1cc(CN(Cc2ccoc2)C2CCCCC2)occ1O 96424533 MQVQYUDLUZVSLN-UHFFFAOYSA-N 303.358 3.273 0 40 DGAB Cc1nc(C)c(CCNC(=O)N(C)CCc2cccs2)s1 96440045 WYKZDVLUZLWBSR-UHFFFAOYSA-N 323.487 3.248 0 40 DGAB O=C1[C@@H](NCc2cccnc2)CCCN1c1ccccc1Cl 97009642 ABEYOIHZMQUUTD-HNNXBMFYSA-N 315.804 3.020 0 40 DGAB C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1ccc2[nH]ncc2c1 97231535 BKHNRUYZQFZMMY-KSSFIOAISA-N 321.428 3.280 0 40 DGAB Cc1cccc([C@H](NC(=O)N[C@H](C)C[S@](C)=O)C(C)(C)C)c1 97372843 GOWSXMPAFKYQDY-QOAZOABKSA-N 324.490 3.148 0 40 DGAB COc1ccc(C=C=N)cc1C(=O)Nc1c(F)cccc1F 100015363 NJZGGIFNSVAQOQ-UHFFFAOYSA-N 302.280 3.487 0 40 DGAB O=c1[nH]c2c(s1)[C@H](c1cccnc1)[C@@H]1[C@H]3CC[C@@H](C3)[C@H]1S2 104075548 RRGJAKVGOZYHOQ-XZPDDHLCSA-N 316.451 3.484 0 40 DGAB COc1cc(/C=C2\Nc3ccc(Cl)cc3NC2=O)ccc1O 104238789 KMCDMEWUPFIFNS-MLPAPPSSSA-N 316.744 3.459 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105697293 QUPRTTZFKZNIHY-GKEYINFOSA-N 315.413 3.209 0 40 DGAB COc1cccc([S@](=O)Cc2ccc(-n3cccn3)cc2)c1 195562663 VLNQCUUKJBRIQB-JOCHJYFZSA-N 312.394 3.189 0 40 DGAB Cc1occc1S(=O)(=O)Cc1nc(C(F)(F)F)cs1 195577670 OAAYMQKRCWXBBP-UHFFFAOYSA-N 311.306 3.037 0 40 DGAB O=C(Cc1cccs1)NC[C@@H]1CCCN1c1ccccc1 206784494 AMUYYKNBVUXQBZ-HNNXBMFYSA-N 300.427 3.076 0 40 DGAB Cc1ccc(NC(=S)NCCSCc2ccco2)nc1 225349307 OLAWIBFVQJAKNH-UHFFFAOYSA-N 307.444 3.203 0 40 DGAB Cc1nnc(S[C@H]2CCc3ccccc3NC2=O)n1C(C)C 225624676 MNMFHHUHERRPNM-AWEZNQCLSA-N 316.430 3.213 0 40 DGAB Cc1ccc(NC(=S)NCCCN2C[C@@H](C)C[C@H](C)C2)nc1 225731727 CGDXDCJXESHFJS-GJZGRUSLSA-N 320.506 3.044 0 40 DGAB O=C(NCCn1cc(-c2ccccc2)cn1)c1ccccc1F 244914803 BEOSMBYTRMGHTQ-UHFFFAOYSA-N 309.344 3.119 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccoc1C1CC1)Cc1ccccc1 252509326 YLBYUJUNPRCISF-INIZCTEOSA-N 312.413 3.060 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(CCCOc3ccccc3F)C2)n1 257307670 SZTHSSLLQWEVSI-CQSZACIVSA-N 303.381 3.116 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)n1 257319789 VUAQQADBRUPQAI-CQSZACIVSA-N 303.381 3.116 0 40 DGAB C[C@]12CCC[C@@H]1[C@@H]1[C@H](O)C[C@H]3CC(=O)CC[C@@]3(C)[C@@H]1C(=O)C2 257346029 OWSDKGMPDGHRFF-PTCKVCHGSA-N 304.430 3.138 0 40 DGAB CN(C)[C@@H]1CCN(Cc2cccc(OCc3ccccc3)c2)C1 517438603 GIWAXFZXODOPPA-LJQANCHMSA-N 310.441 3.402 0 40 DGAB COc1ncccc1NC(=O)[C@H](c1ccccc1)n1cccc1 575443964 DTVFRPCZXAMJJP-INIZCTEOSA-N 307.353 3.120 0 40 DGAB O=C(NCC[C@@H](CCO)c1ccsc1)NCc1ccccc1 575608381 SWNFPHOCIRSMSH-HNNXBMFYSA-N 318.442 3.104 0 40 DGAB COCC[C@H]1CN(Cc2ccc(OC)cc2)Cc2cccn2C1 585094669 YBTWMQLZAQNABW-KRWDZBQOSA-N 314.429 3.165 0 40 DGAB CC[C@H](C)N1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 585100444 KOMWWOCRNFRYAF-WMLDXEAASA-N 321.490 3.289 0 40 DGAB Cc1ccc(CC(=O)N2CCC([C@@H]3CCCCN3C)CC2)cc1 585113252 VGSCOPDTELPVBN-IBGZPJMESA-N 314.473 3.260 0 40 DGAB NC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCCC2 68229 UHXUXHDORLCQMB-UHFFFAOYSA-N 318.373 3.117 0 40 DGAB O=C1C(Cl)=C(Nc2ccc(F)cc2)C(=O)N1C1CCCCC1 122046 BXTSFWCOMBVXOZ-UHFFFAOYSA-N 322.767 3.390 0 40 DGAB O=C(CN1CCCC1)Nc1cc(C(F)(F)F)ccc1Cl 126206 IBIIBSJZIXXZEQ-UHFFFAOYSA-N 306.715 3.393 0 40 DGAB CSc1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)O)[C@H]2CC[C@@H]1C2 371848 UQTOGQHLUONZDZ-OAACRXHESA-N 305.399 3.094 0 40 DGAB COc1ccc(-c2cc(=O)c3c(C)cc(O)cc3o2)cc1OC 1713136 UGBBKNOBQACBOG-UHFFFAOYSA-N 312.321 3.491 0 40 DGAB Cc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccccc1F 2713214 XKQPVWUABMKGDQ-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB CN(CC(=O)Nc1ccc(F)c(F)c1F)C1CCCCC1 3348752 KHRRNZQBPVQHNG-UHFFFAOYSA-N 300.324 3.307 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(O)c2)c(Cl)c1 3511714 ZOGQNNRWJRWZNM-UHFFFAOYSA-N 319.744 3.150 0 40 DGAB COc1ccc(CCC(=O)Nc2cccc(F)c2)cc1OC 3548399 HBQVLZNNUUMPSW-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB CSc1cccc(C(=O)N2CCN(c3ccccc3)CC2)c1 4303511 VWVBEOAFJHEJLS-UHFFFAOYSA-N 312.438 3.371 0 40 DGAB CCc1ccc(-n2c(=O)oc3ccc(Cl)cc3c2=O)cc1 4782811 STJXOJJTGXGQOV-UHFFFAOYSA-N 301.729 3.160 0 40 DGAB O=C(Nc1cccnc1)c1cc(=O)c2cc(Cl)ccc2o1 5351370 FZEYJUSDSCINLJ-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB CC(=O)N1CCCc2cc(NC(=O)c3cccs3)ccc21 5373639 NYQAAQMUVKJDFC-UHFFFAOYSA-N 300.383 3.300 0 40 DGAB O[C@@]1(c2ccccc2)CSC2=Nc3ccccc3[C@@H]3CCN1N23 5395957 ZNWIULDAACUKJA-FUHWJXTLSA-N 323.421 3.244 0 40 DGAB CCOC(=O)c1ccc(COC(=O)c2ccc(F)cc2)cc1 6439370 KNWANLAMOWNJBR-UHFFFAOYSA-N 302.301 3.359 0 40 DGAB CC[C@@H](C)NC(=O)c1nc(-c2ccccc2)n(-c2ccccc2)n1 6510161 DUPQHMGAAGKHAK-CQSZACIVSA-N 320.396 3.463 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(C(=O)Nc2ccccc2)CC1 6811557 BAEBWSAVMSSYLG-UHFFFAOYSA-N 319.405 3.208 0 40 DGAB CCOc1cc(C)c(C)cc1S(=O)(=O)NC1CCCCC1 8714866 XAINTPCGWUKXHF-UHFFFAOYSA-N 311.447 3.313 0 40 DGAB COc1cccc(NC(=O)[C@@H](C)N2CCc3ccccc3C2)c1 8754369 FYAYYWPXUWNOPO-CQSZACIVSA-N 310.397 3.081 0 40 DGAB Cc1ccc(C)c(C(=O)COc2ccc(Cl)cc2C(N)=O)c1 8980714 BJNDPBYZGIIQFR-UHFFFAOYSA-N 317.772 3.317 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)N[C@@H]1CCOc2ccccc21 9313710 AQYDYRXIDBGCKH-WMLDXEAASA-N 322.408 3.078 0 40 DGAB Cc1ccc2cccc(O[C@H](C)C(=O)Nc3cc(C)on3)c2n1 9339211 ZBSZYQOANORFOX-GFCCVEGCSA-N 311.341 3.246 0 40 DGAB C[C@H](NC(=O)CSc1ccccn1)c1ccc(F)cc1F 9368256 MEQVVQSQXZGFLZ-JTQLQIEISA-N 308.353 3.329 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@@H](C)c2ccccc2)CC1=O 9698706 ZMUYTMNDRRUCKD-DOTOQJQBSA-N 322.408 3.225 0 40 DGAB O=C(CCc1ncc(-c2ccccc2F)o1)Nc1ccncc1 10126303 FEANRXWHTTXSDX-UHFFFAOYSA-N 311.316 3.447 0 40 DGAB CCC(CC)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 11428401 USLBYSOKGPQQKQ-UHFFFAOYSA-N 315.392 3.419 0 40 DGAB Cc1cc(SCC(=O)Nc2cccc(C)c2C)nc(C)n1 12016684 BQKZFBHCIRSTHR-UHFFFAOYSA-N 301.415 3.441 0 40 DGAB Cc1cc(C(=O)O)c2c(C3CC3)nn(-c3ccccc3F)c2n1 12398003 ZPVYWCVOJDTAJO-UHFFFAOYSA-N 311.316 3.444 0 40 DGAB CC[C@@H](C)NC(=O)c1nn(-c2ccc(F)cc2)c2c1CCC2 13003425 BDXAMAWPEODBPV-LLVKDONJSA-N 301.365 3.028 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)[C@H]1COc2ccccc2O1 14122044 DSXPWVMHIJZGMV-GOSISDBHSA-N 309.365 3.114 0 40 DGAB O=C(CNc1ccc(Cl)cc1F)Nc1ccc2c(c1)OCO2 15122763 XUHARNNBMSFVID-UHFFFAOYSA-N 322.723 3.258 0 40 DGAB CCn1c2ccccc2c2cc(N3C(=O)[C@H](C)NC3=S)ccc21 15569414 DZZMDDPOXHFPTJ-NSHDSACASA-N 323.421 3.424 0 40 DGAB COC(=O)CCCCCNC(=O)c1ccc2c(c1)CCCC2 24467701 IYUYTSQGQUJRBX-UHFFFAOYSA-N 303.402 3.029 0 40 DGAB COc1cc2c(c(C)c1OC)[C@@H](Cc1ccc(O)cc1)NCC2 24717672 YSMUOYHZXXHUDU-MRXNPFEDSA-N 313.397 3.147 0 40 DGAB biogenic O=C1NC2(CCCCC2)C(=O)N1Cc1ccccc1OC(F)F 28019843 BVLHUTIRTZEQQE-UHFFFAOYSA-N 324.327 3.043 0 40 DGAB C[C@H]1Oc2ccccc2O[C@@H]1C(=O)NCc1ccc(Cl)cc1 32667871 KQHFQCJKWQFANY-BZNIZROVSA-N 317.772 3.185 0 40 DGAB C[C@H](OCCCNC(=O)c1ccc2[nH]cnc2c1)c1ccccc1 32907556 GOWDLUNUFPOLSK-AWEZNQCLSA-N 323.396 3.461 0 40 DGAB O=C1C[C@H](Nc2ccc(Cl)cc2)C(=O)N1c1cccc(F)c1 36635741 BBYJBTBQEAOZEU-AWEZNQCLSA-N 318.735 3.223 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H](C(=O)O)CC[C@H]1c1ccccc1 38540372 CALATTICCPJTQS-KGLIPLIRSA-N 305.374 3.459 0 40 DGAB COc1cccc(OCC(=O)Nc2ccccc2SC)c1 38835350 SIVMJGHQXCTVQW-UHFFFAOYSA-N 303.383 3.435 0 40 DGAB CN(CCOc1ccccc1Cl)Cc1nnsc1Cl 40004957 RMPBIZFBTPCPRD-UHFFFAOYSA-N 318.229 3.356 0 40 DGAB O=C([C@@H](Nc1cccc(CO)c1)c1ccccc1)N1CCCCC1 40466181 ZEUXWPHIIFQEDJ-IBGZPJMESA-N 324.424 3.345 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCO[C@H]2CCCC[C@@H]21 41110732 GVGZZFIAHVDCJN-HOTGVXAUSA-N 312.369 3.125 0 40 DGAB CC(=O)N1CC2(CCCC2)c2cc3c(cc2[C@H]1C)OCCO3 42009768 MPIMNJSLGNXWDM-GFCCVEGCSA-N 301.386 3.193 0 40 DGAB Nc1nc2c(Br)ccc(Br)c2s1 42581164 VMWUPAUOOXTJTH-UHFFFAOYSA-N 307.998 3.404 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1S(C)(=O)=O)c1cccs1 43929028 OEKDFCICNDFIGS-SNVBAGLBSA-N 324.427 3.034 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=S)Nc2ccccc2)C1 44140349 ZABLUNIABZRMSM-GJZGRUSLSA-N 305.491 3.341 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(F)cc1Cl 44253184 MRWCRHGFLKSBMC-UHFFFAOYSA-N 303.717 3.419 0 40 DGAB CCc1cccc(C)c1NC(=O)NCc1nc(C2CC2)no1 47324546 MTVBYDIAMSASCN-UHFFFAOYSA-N 300.362 3.140 0 40 DGAB COc1cccc(CNC(=O)CNc2c(C)cc(C)cc2C)c1 48332116 MKRFURQUZWWFKV-UHFFFAOYSA-N 312.413 3.349 0 40 DGAB O=C(NCCC(=O)N1CCCc2ccccc21)Nc1ccccc1 50078794 XKVFVDFYJUNANP-UHFFFAOYSA-N 323.396 3.178 0 40 DGAB Cc1ccc([C@@H](C)N(C)Cc2cc(=O)n3ccccc3n2)cc1 52907555 BJXQJBLRNAPMER-OAHLLOKOSA-N 307.397 3.196 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(NC(=S)NC2CC2)cc1 54971628 RZRCLXIXBGTODS-GFCCVEGCSA-N 317.458 3.150 0 40 DGAB C[C@H](COc1ccccc1)NC(=O)CCc1ccc(F)cc1 55732151 XFGAGJDYQYNMHI-CQSZACIVSA-N 301.361 3.342 0 40 DGAB CCN1CCC[C@H]1CNC(=S)N[C@@H]1CCCc2ccccc21 58143858 QKFCKSODGLQKOW-DOTOQJQBSA-N 317.502 3.012 0 40 DGAB CC(=O)NC1(C(=O)N[C@@H](C)c2ccccc2C)CCCCC1 58244104 JNJLHNYHJMNZIW-AWEZNQCLSA-N 302.418 3.011 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC(c3nccs3)CC2)cc1 58305371 PZABZPNDEBFGAC-UHFFFAOYSA-N 315.442 3.229 0 40 DGAB CC(=O)Nc1cc(C(=O)Oc2ccccc2C(C)=O)ccc1C 58407489 RWCPYDBFLKHSRV-UHFFFAOYSA-N 311.337 3.375 0 40 DGAB CC(C)c1nc(CCNc2cccc(Br)c2)n[nH]1 62719156 XFPWCLRISRMJAB-UHFFFAOYSA-N 309.211 3.345 0 40 DGAB CC(C)(C)SCCNC(=O)c1ccc(N2CCCC2=O)cc1 66739224 AKWDMKAZHSXBEN-UHFFFAOYSA-N 320.458 3.075 0 40 DGAB CCN(C(=O)Nc1cc(C)no1)[C@H](C)Cc1ccc(OC)cc1 66907547 GLCPYUSEBCTZFE-CYBMUJFWSA-N 317.389 3.477 0 40 DGAB CCN(C(=O)c1nc(C)n(-c2ccc(F)cc2)n1)[C@H](C)C(C)C 67114287 UXAYKZRNSWMUBS-GFCCVEGCSA-N 318.396 3.221 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2cnsn2)C2CC2)o1 69322053 QFWSMBSHEDNIAI-BXKDBHETSA-N 303.387 3.059 0 40 DGAB CC(=O)c1cccc(O[C@@H](C)C(=O)N(C)Cc2ccsc2)c1 69436089 HOYDVFFJTQCHJM-ZDUSSCGKSA-N 317.410 3.377 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H](C)ONC(=O)c1cccs1 69813918 WFKGQRZKZNUKRM-LBPRGKRZSA-N 318.398 3.054 0 40 DGAB Cc1nc(NC2CCCCC2)sc1C(=O)NC[C@H]1CCCO1 71326734 CAIOWEPLNJOROW-CYBMUJFWSA-N 323.462 3.105 0 40 DGAB O=C(c1cc2ccccc2c(=O)[nH]1)N(Cc1ccsc1)C1CC1 71836614 FENBYFFHTVZOFC-UHFFFAOYSA-N 324.405 3.394 0 40 DGAB Cc1c(NC(=O)C[C@@H]2CCc3ccccc3C2)cccc1C(N)=O 71899344 IRTCLTWGNMPGHV-CQSZACIVSA-N 322.408 3.228 0 40 DGAB COc1ncccc1C(=O)N[C@H](C)c1cccc(OC(F)F)c1 71906634 ADVLFHALHPLCAP-SNVBAGLBSA-N 322.311 3.183 0 40 DGAB CC[C@H](NC(=O)N[C@@H](C)c1cn(C)nc1C)c1nc(C)cs1 72274057 YPLPAPFRYDKQEF-GWCFXTLKSA-N 321.450 3.005 0 40 DGAB CCN(C(=O)COC(=O)c1cc(F)ccc1F)c1ccccc1 72334017 IFIILARCLCZDJT-UHFFFAOYSA-N 319.307 3.175 0 40 DGAB CC(C)n1cc(C(=O)Nc2ccccn2)c2ccccc2c1=O 72402095 NDILWXPDFVLLRU-UHFFFAOYSA-N 307.353 3.230 0 40 DGAB CS[C@@H]1CCC[C@@H]1N(C)C(=O)CCn1ccnc1C(C)C 74195332 ZEEDNWCFJWMILO-UONOGXRCSA-N 309.479 3.139 0 40 DGAB Cc1ccccc1[C@@H](NC(=O)c1cc(C(N)=O)cs1)C1CC1 75137484 KSUOIUUXYWUMEB-HNNXBMFYSA-N 314.410 3.037 0 40 DGAB Cc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)c(C)c1 75407658 KBHQRDDJYOWOMR-UHFFFAOYSA-N 318.398 3.351 0 40 DGAB CC(=O)c1c(F)cccc1NC[C@H](O)c1ccc(F)c(F)c1 75667885 PSMUZYLMXPRODZ-HNNXBMFYSA-N 309.287 3.452 0 40 DGAB CCc1cccc(CC)c1NC(=O)N[C@H](CCO)CSC 77660650 DASBPMURRODCCZ-CQSZACIVSA-N 310.463 3.047 0 40 DGAB C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)Nc1cccc2ccccc12 79097606 BLKQWNLNPLSKKL-UGSOOPFHSA-N 309.413 3.444 0 40 DGAB Cc1nc(CNC(=O)N[C@H](c2ccccc2C)C(C)(C)C)no1 80152300 ZWIORDNBCVTOFG-OAHLLOKOSA-N 316.405 3.273 0 40 DGAB CCCc1nnc(NC(=O)c2occc2Br)s1 80943041 CFGZWROKIHYQPR-UHFFFAOYSA-N 316.180 3.098 0 40 DGAB CSC[C@H]1CCN(C(=O)Cc2cc(-c3ccccc3)on2)C1 81435899 CFBXFKBRHIBCAE-ZDUSSCGKSA-N 316.426 3.096 0 40 DGAB CCOC(=O)N1CCC(N[C@H]2CCC[C@@H](SCC)C2)CC1 89158147 NZVOBAIRMZZHBS-LSDHHAIUSA-N 314.495 3.261 0 40 DGAB O=C(c1c[nH]c2ncccc12)N1CCSC[C@H]1c1ccccc1 89828139 OLYYVODBWSBSNE-INIZCTEOSA-N 323.421 3.493 0 40 DGAB FC(F)(F)[C@H](OC[C@H]1CO1)c1ccccc1Br 95095932 ZBYLJENHRNKREN-GMSGAONNSA-N 311.097 3.468 0 40 DGAB C[C@H](OC(=O)c1cnn(C)c1-c1ccccc1)c1nccs1 95460281 DZVBPLKZXWHQGE-NSHDSACASA-N 313.382 3.462 0 40 DGAB C[S@](=O)c1ccc(NC(=O)CCc2cccc(F)c2)cc1F 95977865 VZOOPBINDQNPIW-JOCHJYFZSA-N 323.364 3.274 0 40 DGAB Cc1cnc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)s1 95986874 JVRBHLJZCDJMHS-GFCCVEGCSA-N 318.446 3.094 0 40 DGAB CCS[C@H]1CC[C@@H](NCc2c[nH]nc2-c2cccnc2)C1 95990132 RQWMXCXPHCRTDA-CABCVRRESA-N 302.447 3.236 0 40 DGAB Cc1ccc(CN2CC[C@H]3O[C@@H](COCC4CC4)CC[C@H]32)o1 96056412 MQPCQSXKHGDXIW-KZNAEPCWSA-N 305.418 3.137 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@@H](CC2)OCCN3CC2CC2)s1 96249305 BIMIPXCXRUOKAD-ZWKOTPCHSA-N 320.502 3.132 0 40 DGAB CCS[C@H]1CC[C@@]1(O)CNC(=O)Nc1ccccc1Cl 96451122 AMYBGCIOCSCASK-GXTWGEPZSA-N 314.838 3.108 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1cccs1 129675280 SJCVCSRLCCIBAM-GJZGRUSLSA-N 323.506 3.428 0 40 DGAB COc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 222353420 GJCLPVZFTOXSHD-XEQNPHJVSA-N 317.772 3.050 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CCC 223091658 GGJQYCZJOSZMEF-MRXNPFEDSA-N 318.461 3.429 0 40 DGAB CSc1nnc(NC(=O)CCc2ccccc2Cl)s1 224039539 MNGPHVICWRTJPN-UHFFFAOYSA-N 313.835 3.485 0 40 DGAB COc1cccc(O[C@H](Cc2cccc(C)c2C)C(=O)O)c1 225023236 NYQFPUBWIJGODK-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COC(=O)CC(C)(C)CC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 225548336 SITPFYZYEFOVIZ-CQSZACIVSA-N 321.392 3.121 0 40 DGAB COc1ccc(OCC(=O)Nc2c(C)cc(N)cc2Cl)cc1 227145561 SIFZMLNOZIKUTN-UHFFFAOYSA-N 320.776 3.257 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@H]2[C@H]3C=C[C@H]([C@H]2C1=O)[C@@H]1C[C@@H]31 408726821 CMIUHJOORKOJFX-JKPJVAMOSA-N 313.784 3.206 0 40 DGAB CN1C(=O)N/C(=C\c2ccccc2Sc2ccccc2)C1=O 409190684 PUASHZPCOYZYKK-KAMYIIQDSA-N 310.378 3.360 0 40 DGAB O=C1N/C(=C/C=C/c2ccccc2)C(=O)N1Cc1ccccc1 409198656 CQSVUSGZTRHXCE-LYXWDPSCSA-N 304.349 3.336 0 40 DGAB O=C(NC[C@@H]1CCC[C@@H]1c1ccccc1)c1csc(O)n1 562560710 LSKJDPVLYLERTE-QWHCGFSZSA-N 302.399 3.162 0 40 DGAB CCn1nncc1CN[C@H](C)c1nc(-c2ccccc2)cs1 565701567 KKJFUAJJEVNMTJ-GFCCVEGCSA-N 313.430 3.272 0 40 DGAB CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCc1nc(-c2ccsc2)no1 578485201 AWQOOLHMCAIBRK-BNOWGMLFSA-N 319.430 3.091 0 40 DGAB CC(C)Nc1cccc(F)c1NC(=O)[C@@H](C)OC[C@H]1CCCO1 585127082 PPZLNPRSHIORFW-CHWSQXEVSA-N 324.396 3.169 0 40 DGAB Cc1cccc(CC(=O)N2[C@H]3CC[C@H]2CC(n2cc(C)cn2)C3)c1 1889139378 OEXQHAONJDBZQN-ROUUACIJSA-N 323.440 3.437 0 40 DGAB Cc1cnc(N2CCC[C@H](COc3ncccc3Cl)C2)nc1 2298187870 MFPWIJLPCUHJRT-ZDUSSCGKSA-N 318.808 3.129 0 40 DGAB Cc1ccc(N2C(=O)C(Cl)=C(Nc3ccccc3)C2=O)cc1 121617 QUWFYKMQLQTLKB-UHFFFAOYSA-N 312.756 3.431 0 40 DGAB CN1CCCCc2c1nc1ccc(Br)cc1c2N 321321 ULSVGSPJCPZLEO-UHFFFAOYSA-N 306.207 3.352 0 40 DGAB biogenic CSc1cccc(NC(=O)Nc2ccccc2C(N)=O)c1 400410 GWWAVISVPLMKOG-UHFFFAOYSA-N 301.371 3.151 0 40 DGAB O=C(CSCc1ccccc1Cl)NCc1cccnc1 567301 DZZNJWCYNPEPFK-UHFFFAOYSA-N 306.818 3.285 0 40 DGAB CN(CCOc1ccc(Cl)cc1)C[C@@H](O)c1ccccc1 2643666 KOFWLPMUYUZEFP-QGZVFWFLSA-N 305.805 3.384 0 40 DGAB Cc1ccc(NC(=O)CCC(=O)NCCc2ccccc2)cc1C 3080291 MIBYXEOUPHFKGO-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB OCCNc1ncnc2scc(-c3ccc(Cl)cc3)c12 3288724 BEMVVVUDRKVCRD-UHFFFAOYSA-N 305.790 3.416 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H]2CCCc3ccccc32)c1 3519530 VOHFACDMJMHQHP-LJQANCHMSA-N 323.392 3.462 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)N[C@H](C)c1ccc(F)cc1 3545393 AAWRBLWCBFBQRK-CYBMUJFWSA-N 315.344 3.168 0 40 DGAB COc1ccc(N(Cc2cc3ccccc3[nH]c2=O)C(C)=O)cc1 4637656 CKBKLKOCBBPGAZ-UHFFFAOYSA-N 322.364 3.090 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCN(c4ccccc4)CC3)cc2c1 4702657 UKLIUGHEYSLPRT-UHFFFAOYSA-N 319.408 3.439 0 40 DGAB Cc1cc(C(=O)OCc2cc(=O)oc3cc(C)c(C)cc23)on1 5565943 KGTXKMCYRIOIFC-UHFFFAOYSA-N 313.309 3.063 0 40 DGAB Cn1cccc1C(=O)OCC(=O)Nc1ccccc1C(C)(C)C 6515933 MEEHNVIDSRWBIZ-UHFFFAOYSA-N 314.385 3.118 0 40 DGAB O=C(O)c1cc(-n2c(S)nnc2-c2ccco2)ccc1Cl 6659223 DLDUUOWBYDGZIO-UHFFFAOYSA-N 321.745 3.168 0 40 DGAB O=C(NC1CCCCCCC1)c1ccc(N2CCOCC2)cc1 7504876 YHIAFIOVYVUYIH-UHFFFAOYSA-N 316.445 3.366 0 40 DGAB CN1CCCN(C(=O)C2CCCCC2)c2nc3ccccc3nc21 8061591 DMVMXFQFQPDYBF-UHFFFAOYSA-N 324.428 3.383 0 40 DGAB COc1ccc2nc(C)c(CN3CCC[C@@H](C)C3)c(O)c2c1 8585866 ABDCMLARYPYEPF-GFCCVEGCSA-N 300.402 3.489 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cc3nc(C)ccc3o2)cc1 8798755 SFGZCSLJSMOUPA-UHFFFAOYSA-N 309.325 3.347 0 40 DGAB Cc1ccc(CNC(=O)C(=O)Nc2ccc(C(C)C)cc2)cc1 9908644 CXRVAMBKBSVVIN-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB C[C@@H](Oc1cccc2c1CCC2=O)C(=O)Nc1cccc(F)c1 11100664 FYSCEIQGSNEUSD-LLVKDONJSA-N 313.328 3.361 0 40 DGAB COCCNc1ncc(-c2cc(C)no2)c(-c2ccc(C)o2)n1 12186020 XREURHKSVKMCMX-UHFFFAOYSA-N 314.345 3.067 0 40 DGAB Cc1cc(C(=O)O[C@H](C)C(=O)N[C@H]2CCCC[C@H]2C)c(C)o1 12989109 KGEFZZVTWCTPPL-YVLXSGLVSA-N 307.390 3.137 0 40 DGAB Cc1ccc(C)c(C(=O)NCc2ccccc2Cn2cccn2)c1 12992113 VKINYBLSIVEWPT-UHFFFAOYSA-N 319.408 3.478 0 40 DGAB O=C(Nc1ccc2c(c1)N(C(=O)c1cccs1)CC2)C1CC1 13694927 VWNHCDFOHWYJAZ-UHFFFAOYSA-N 312.394 3.300 0 40 DGAB CC(C)c1ccc(S(=O)(=O)NCCc2ccccc2)cc1 13938218 OLILZLZVABLIRN-UHFFFAOYSA-N 303.427 3.331 0 40 DGAB CCOc1ccccc1NC(=S)NC(=O)c1ccccc1F 14037526 QYZBUWMOMVXZAX-UHFFFAOYSA-N 318.373 3.351 0 40 DGAB CCOC(=O)c1c(C)[nH]c(/C=C2/C(=O)Nc3ccccc32)c1C 16052836 PMUJUSJUVIXDQC-UKTHLTGXSA-N 310.353 3.301 0 40 DGAB CCc1ccc(O[C@@H](C)C(=O)Nc2cc(N)ccc2OC)cc1 19736226 ZHRSKBKUPSSGBN-LBPRGKRZSA-N 314.385 3.246 0 40 DGAB Cc1ccccc1-n1ccc2nc(N3CCCCC3)ncc2c1=O 19958853 OOBSPMXWBISQAJ-UHFFFAOYSA-N 320.396 3.079 0 40 DGAB Cc1cc(C)cc(NC(=O)C(=O)N[C@@H](C)c2ccc(F)cc2)c1 22540803 QHHNDIHYKYTVGI-ZDUSSCGKSA-N 314.360 3.258 0 40 DGAB CCOc1cc2c(cc1CNC(=O)[C@@H]1CC=CCC1)O[C@@H](C)C2 24645696 IWSRTOFJTBQQIH-UONOGXRCSA-N 315.413 3.381 0 40 DGAB COc1ccc(S(=O)(=O)N(C)C2CCCCC2)c(C)c1C 26843924 OXGUPEVBVRIYNS-UHFFFAOYSA-N 311.447 3.265 0 40 DGAB CCCn1nccc1C(=O)Nc1ccccc1Br 28222326 UVQZSHAUWGBYKV-UHFFFAOYSA-N 308.179 3.308 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1ccc(Cn2cccn2)o1 28226703 QXATUKYTXWVVQR-UHFFFAOYSA-N 301.733 3.430 0 40 DGAB Cc1ccc2nc(NS(=O)(=O)c3c(C)noc3C)sc2c1 28232934 GHVJSVZMLAZUDT-UHFFFAOYSA-N 323.399 3.010 0 40 DGAB C[C@]1(c2ccco2)NC(=O)N(Cc2ccc(F)cc2Cl)C1=O 30343190 UNYGPYKPWSYBEZ-OAHLLOKOSA-N 322.723 3.039 0 40 DGAB CO[C@@H](Cn1cnc2sc(C)cc2c1=O)c1cccs1 32580936 GZDVYWZRKOSLMJ-NSHDSACASA-N 306.412 3.216 0 40 DGAB O=C(Nc1cccnc1)C1(c2ccc3c(c2)OCCO3)CCCC1 32904768 BFGCFVDKGCJXLT-UHFFFAOYSA-N 324.380 3.303 0 40 DGAB O=C(COC1CCCC1)Nc1nc(-c2ccccn2)cs1 40549733 AEADJMDCDTWASI-UHFFFAOYSA-N 303.387 3.103 0 40 DGAB O=C(N[C@@H]1CCC[C@H](C(F)(F)F)C1)c1cccnc1S 42852870 QSSABJHBJRORMR-DTWKUNHWSA-N 304.337 3.221 0 40 DGAB O=c1ncccn1Cc1cccc(Nc2nc3ccccc3o2)c1 44976963 YAIPURSGLBNOBK-UHFFFAOYSA-N 318.336 3.176 0 40 DGAB O=C(O)c1cc(Cl)c(I)c(Cl)c1 45919841 QNSGDQZRDPAUTG-UHFFFAOYSA-N 316.909 3.296 0 40 DGAB in-vitro C[C@@H](CNC(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 48134846 OEDHAXNTPUYTFM-AWEZNQCLSA-N 321.384 3.193 0 40 DGAB C[C@@H](CCc1ccccc1)Nc1ncc(C(N)=O)cc1Cl 48366115 LYWIURUWRIQPRC-NSHDSACASA-N 303.793 3.267 0 40 DGAB O=C(NOCc1ccccc1)c1ccc(Br)cc1O 49447068 OCAYEZCVARIVGB-UHFFFAOYSA-N 322.158 3.016 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2cccc(Cl)c2)cc1 52945341 ZOGSIMWICOOJAP-UHFFFAOYSA-N 303.745 3.308 0 40 DGAB C[C@H](N[C@H](C)c1ccc(F)cc1)C(=O)N1CCc2ccccc21 57383652 OWAFKTDKZALUID-KGLIPLIRSA-N 312.388 3.454 0 40 DGAB Cc1cc(CN(C)C(=O)c2ccc(F)c(C(F)(F)F)c2)no1 58246376 FSOLLAGECYPKGU-UHFFFAOYSA-N 316.254 3.413 0 40 DGAB CSc1cccc(NC(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c1 58343551 YABPEPQGGNTJEF-JKSUJKDBSA-N 314.410 3.188 0 40 DGAB O=C(Nc1ccc2c(c1)CCN2)c1ccc(Br)o1 63188040 ZZUUWVZTNSNBCT-UHFFFAOYSA-N 307.147 3.262 0 40 DGAB COCCCN(C)C(=O)c1ccc(-c2nc(C)cs2)cc1 65606337 VIUBLDKGNDNXIV-UHFFFAOYSA-N 304.415 3.227 0 40 DGAB CCOC(=O)c1ccc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)nc1 65946811 GXWOXGZOIMSPSO-KKNUOHPOSA-N 300.402 3.273 0 40 DGAB COc1cccc2cc(C(N)=O)/c(=N/c3cccc(C)c3C)oc12 67292623 IUWCXPHXBHQJBR-VZCXRCSSSA-N 322.364 3.390 0 40 DGAB CCC[C@H](C)C(=O)NC[C@H]1CCN(c2ccc(F)c(F)c2)C1 69172258 YCGXLRGDQOKFPF-QWHCGFSZSA-N 310.388 3.344 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCc1coc(-c2ccccc2)n1 69453851 HTSCMLJDMRFSOL-UHFFFAOYSA-N 324.355 3.382 0 40 DGAB COCCOc1ccccc1C(=O)Nc1cccc(Cl)c1O 69706487 QNTVHZFTNSXPDY-UHFFFAOYSA-N 321.760 3.323 0 40 DGAB NC(=O)CN(Cc1csc(-c2ccsc2)n1)C1CCCC1 71812646 LZUKVQKGRWEDLF-UHFFFAOYSA-N 321.471 3.102 0 40 DGAB CC[C@@H](OC1CCCC1)C(=O)N(C)Cc1nc2ccccc2[nH]1 71903767 NVFMFAQNKMCHDZ-MRXNPFEDSA-N 315.417 3.259 0 40 DGAB COCCCNC(=O)c1ccc(Oc2cccc(Cl)c2)o1 72264831 LCALWKBUVLBJIB-UHFFFAOYSA-N 309.749 3.492 0 40 DGAB c1cnc(Nc2nccnc2[C@H]2CCCN2C2CCCC2)cn1 72363426 HNWFBIMAMJSTNV-CQSZACIVSA-N 310.405 3.090 0 40 DGAB CC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1 72378973 JSUGAPCTYAEKMZ-KRWDZBQOSA-N 315.804 3.404 0 40 DGAB C[C@@H](Cc1cccs1)NC(=O)NCCOc1ccccc1 73683391 AOZNBINTFAXPKG-ZDUSSCGKSA-N 304.415 3.057 0 40 DGAB Clc1ccc(OCc2nnnn2C2CC2)c2ccccc12 73988121 RZUBZLICSFVJTG-UHFFFAOYSA-N 300.749 3.394 0 40 DGAB in-vitro COc1cc(Cl)ccc1C(=O)N(C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C 76019289 ZHALGIJGZZANAQ-CFVMTHIKSA-N 323.820 3.234 0 40 DGAB Cc1nc(CNC(=O)N[C@H](C)c2csc3ccccc23)no1 76087375 FXUWKXUQOIJBSD-SECBINFHSA-N 316.386 3.153 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccnc4ccnn34)c(C)c2c1 76641106 AIYIVJCGAUTLIV-UHFFFAOYSA-N 322.324 3.045 0 40 DGAB C[C@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)cc1 78898211 TUIGPYDRXPCELE-BLLLJJGKSA-N 306.837 3.077 0 40 DGAB Cc1cnc(CNC(=O)N[C@H]2COc3c2ccc(C)c3C)s1 78941190 YKANUGJJKQSFRS-ZDUSSCGKSA-N 317.414 3.001 0 40 DGAB Cc1ccccc1NC(=O)NC[C@]1(O)CCc2ccccc2C1 85560522 AIUQMJVBJPJHLK-IBGZPJMESA-N 310.397 3.037 0 40 DGAB Cc1ncsc1/C=C/c1nc(O)c2cnn(C(C)C)c2n1 95442901 VFEYHLPQSUAEOU-SNAWJCMRSA-N 301.375 3.048 0 40 DGAB COc1ccccc1-c1cnn2c(-c3ccncc3)ccnc12 95479618 KJTUQAJXIXYAEU-UHFFFAOYSA-N 302.337 3.467 0 40 DGAB Cc1ccc2c(c1)C1(CCNCC1)CN2C(=O)c1ccccc1 96161005 SVUITJVQGIZXAM-UHFFFAOYSA-N 306.409 3.277 0 40 DGAB c1ccc(-c2ncnc3c2CCN(Cc2nccs2)CC3)cc1 96255356 UANOUNDSWKRLKW-UHFFFAOYSA-N 322.437 3.201 0 40 DGAB CO[C@H](CNC(=O)c1ccc(F)c(F)c1)c1cccc(F)c1 96388016 KKYSHWVSUPFHNH-OAHLLOKOSA-N 309.287 3.221 0 40 DGAB Cc1ccnc(-c2ccc(N[C@H](C(N)=O)c3ccccc3)cc2)n1 96406727 UMHQKSRBKDPIHL-KRWDZBQOSA-N 318.380 3.091 0 40 DGAB O=C(c1csnn1)N(CCc1ccc(Cl)cc1)CC1CC1 96408602 KVAWBMUGRSVWNU-UHFFFAOYSA-N 321.833 3.286 0 40 DGAB CNc1cc(C(=O)N(C)[C@@H](C)CSC)c2ccccc2n1 96444758 LUIBVRUDUBETCL-NSHDSACASA-N 303.431 3.100 0 40 DGAB CN(C(=O)c1ccco1)C1CCC(NC(=O)OC(C)(C)C)CC1 96454636 VTGIVRNVCHROPH-UHFFFAOYSA-N 322.405 3.188 0 40 DGAB CCOC(=O)N1CCC(N[C@@H](c2ncc(C)s2)C2CC2)CC1 96494302 UEOXPINBDUPVTO-CQSZACIVSA-N 323.462 3.113 0 40 DGAB CC[C@](C)(CC(=O)O)NC(=O)[C@H](C)c1cc2ccccc2o1 97035687 OHIZMPYOYNXMHC-PIGZYNQJSA-N 303.358 3.296 0 40 DGAB Cn1c(CN(C[C@@H]2CCOC2)C2CC2)nc2cc(Cl)ccc21 97490652 XKIIMRVKJNVTBA-LBPRGKRZSA-N 319.836 3.228 0 40 DGAB COc1ccc(F)cc1[C@@H](C)Nc1nc2ccccc2c(=O)[nH]1 97995085 FFTOEOJTFQQFOC-SNVBAGLBSA-N 313.332 3.244 0 40 DGAB Cc1cc(C)cc(NC(=O)c2c(O)c3ccccc3n(C)c2=O)c1 100709016 JDSPBMZCXUBVNI-UHFFFAOYSA-N 322.364 3.113 0 40 DGAB CCc1ccc(CC(=O)NCCCN2CCC[C@@H](C)C2)cc1 224875278 NNKMNXGLZWUFTQ-MRXNPFEDSA-N 302.462 3.030 0 40 DGAB COc1ccccc1O[C@@H](Cc1ccc(C)cc1C)C(=O)O 225025981 JIFATBBPDCWFSD-KRWDZBQOSA-N 300.354 3.387 0 40 DGAB Cc1ccc(CN2CC[C@@H]3OCCN(CC4CC4)[C@@H]3CC2)s1 248052809 BIMIPXCXRUOKAD-MSOLQXFVSA-N 320.502 3.132 0 40 DGAB O=C(Cc1ccsc1)N1Cc2nccn2C[C@@H]1c1ccccc1 257241478 HYDNGNXMZBDWOF-MRXNPFEDSA-N 323.421 3.271 0 40 DGAB CNc1cc([C@@H]2CCCN(C(=O)c3cccs3)C2)ccn1 257341520 ZKRZPCKOKNXWQE-CYBMUJFWSA-N 301.415 3.205 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)CNC(=O)Oc1ccccc1 408998715 NVGZVYREOYMWLA-UHFFFAOYSA-N 318.760 3.376 0 40 DGAB CO[C@H]1C[C@@H](N(C)C(=O)Nc2cncc(Cl)c2C)C12CCC2 518914401 XLUFXCWBYPTDOP-KGLIPLIRSA-N 323.824 3.465 0 40 DGAB Cn1cc(CC(=O)NCc2cncc(C3CC3)c2)c2ccccc21 575619161 HZUXMAQCXBJBGZ-UHFFFAOYSA-N 319.408 3.310 0 40 DGAB c1cc(CN2CC3(C2)OCC[C@@H]3CCOCC2CC2)cs1 585103160 RZYUULOGCZSXKJ-INIZCTEOSA-N 307.459 3.156 0 40 DGAB CCN1CCN[C@H](Cc2cccc(-c3ccc(C)cc3C)c2)C1=O 585169365 ZOPIGRNWQWLLRE-HXUWFJFHSA-N 322.452 3.333 0 40 DGAB O=C(O)c1cnc(/C=C/c2ccc(O[C@@H]3CCOC3)cc2)s1 656612630 HUHYRYNSAHYUHV-VUUYWXRKSA-N 317.366 3.179 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2nc(C(C)(C)C)nc32)c(C)c1 546073 HVEBEAMYNRSRBJ-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB C[C@H]1CCCCN1c1cnn(-c2ccccc2)c(=O)c1Cl 3566558 WYMWFTKBLWCBGX-LBPRGKRZSA-N 303.793 3.265 0 40 DGAB CCCCC(=O)NCc1cccc(C(=O)NCc2ccco2)c1 55481998 VRMGFFVQCFGKDZ-UHFFFAOYSA-N 314.385 3.016 0 40 DGAB CCn1cc([C@@H]2OCC[C@@H]2CN[C@H](C)c2cccc(F)c2)cn1 107322481 ZBSIIEMBYXGQGV-DDUZABMNSA-N 317.408 3.471 0 40 DGAB CCSc1nnc(NC(=O)COc2cc(C)cc(C)c2)s1 7264388 MMFAVIYFEWZSQV-UHFFFAOYSA-N 323.443 3.284 0 40 DGAB CCCN(CC(=O)Nc1ccccc1C)C(=O)c1ccccc1 7265835 KVVYTNMPEJHSMG-UHFFFAOYSA-N 310.397 3.486 0 40 DGAB COc1ccc(CCC(=O)NC2CC(C)(C)NC(C)(C)C2)cc1 25876347 QWPQGVRWWVKDPT-UHFFFAOYSA-N 318.461 3.053 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2ccc(F)cc2F)c1 7922643 QZDCWOPSLKKKET-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB COc1ccc(C(=O)NC[C@H]2CCN(C3CC3)C2)c2ccccc12 108784393 HZBCMTUHPURXLT-CQSZACIVSA-N 324.424 3.063 0 40 DGAB COc1ccc(C)cc1N[C@H](C)C(=O)N1CCc2ccccc2C1 57861378 ALNGCOZHHCXHPO-OAHLLOKOSA-N 324.424 3.389 0 40 DGAB O=C(N1CCO[C@H](c2cccc(O)c2)C1)C1(c2ccccc2)CC1 95423995 PUGZSTXCYQLHSO-SFHVURJKSA-N 323.392 3.024 0 40 DGAB Cc1ccc(NC(=O)[C@@H](C)N2CCc3sccc3C2)cc1 10106697 JULPTXNCAXQAQR-CYBMUJFWSA-N 300.427 3.442 0 40 DGAB CC(C)COc1ccc(NC(=O)c2ccnn2C)cc1Cl 58157546 HMGPTWJRCKMPCV-UHFFFAOYSA-N 307.781 3.361 0 40 DGAB Cc1ccc(C(=O)c2ccc(I)cc2)cn1 45029071 NUIZZVQRBFDNGU-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1ccc([C@@H](C)NC(=O)NCc2ccccc2)cc1F 25079615 DZOQINCNBMSNIA-GFCCVEGCSA-N 302.349 3.395 0 40 DGAB CC(C)CN1CCC(NC(=O)N[C@H]2CCc3ccccc32)CC1 45305086 XTMAIBRXPYCULD-SFHVURJKSA-N 315.461 3.094 0 40 DGAB COc1cc(C(C)=O)ccc1COc1ccc(C=O)cc1OC 3222706 ABCLZLSKUHVAQF-UHFFFAOYSA-N 314.337 3.298 0 40 DGAB C[C@]12C[C@@H](O)[C@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CC[C@@]2(C)O 118933292 GKKUXCSIYRLCSI-MNHVPCHLSA-N 320.473 3.032 0 40 DGAB CCCCN[C@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 28294203 RJQPLHAFXOMHKB-GOSISDBHSA-N 310.397 3.015 0 40 DGAB CC1CCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@@H]3CC[C@]2(C)C3)CC1 100831786 BTIIZGYDRCRTFM-SFNKJDCFSA-N 309.494 3.311 0 40 DGAB CN(C(=O)CN1CCCc2cc(F)cc(F)c21)c1ccccc1 26725345 ZGUJSYVLKBHXBR-UHFFFAOYSA-N 316.351 3.380 0 40 DGAB CCc1cccc(N2C[C@@H](C(=O)Nc3ccccc3)CC2=O)c1 12822331 HQMGNQAHROUTKM-HNNXBMFYSA-N 308.381 3.241 0 40 DGAB CC(=O)c1cccc(NC(=O)COc2cccc3cccnc23)c1 3477501 GBBAIAZOVTVCHK-UHFFFAOYSA-N 320.348 3.455 0 40 DGAB Cc1cc(C)n2nc(S[C@H](C)C(=O)c3ccccc3)nc2n1 3467002 CHCPUBZOGAUSBL-GFCCVEGCSA-N 312.398 3.105 0 40 DGAB CC(C)(C)C[C@@H](NC[C@@H]1CCS(=O)(=O)C1)c1ccccc1 38083627 CZMHJJDBNJLLPE-GOEBONIOSA-N 309.475 3.188 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1Cl 12906000 OSPUJOYABNPEBV-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB CC(C)[C@@H](NC(=O)CCc1nc[nH]n1)c1ccc(Cl)cc1F 96006323 YGLKUGBFYRKLSV-OAHLLOKOSA-N 324.787 3.043 0 40 DGAB CCc1cccc(CC)c1NC(=O)COc1cccnc1OC 96003778 NPTAVPGLOVBCAL-UHFFFAOYSA-N 314.385 3.233 0 40 DGAB O=C(O)[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)c1ccc(Cl)s1 13225326 ZLPVJWLKOUSHHM-GUBZILKMSA-N 313.806 3.259 0 40 DGAB Cc1nc(-c2ccc(Cl)cc2)nc2sc(C(N)=O)c(N)c12 13655567 GQYYUXLIPODBMO-UHFFFAOYSA-N 318.789 3.001 0 40 DGAB Cc1cccc(C(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1C 9315941 MHIVAJJPFJPHBZ-GFCCVEGCSA-N 310.353 3.275 0 40 DGAB CC(C)(C)NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F 5120551 QWVDXRLVDLWKAE-UHFFFAOYSA-N 315.744 3.436 0 40 DGAB CCCn1cc(NC(=O)c2cc(C)n(C3CC3)c2C)ccc1=O 65790936 IWYSQJQIKAKNNB-UHFFFAOYSA-N 313.401 3.264 0 40 DGAB COc1ccc(CCC(=O)Nc2nc(C)c(C)s2)cc1OC 9456637 NATICVLWXQZKEL-UHFFFAOYSA-N 320.414 3.348 0 40 DGAB Fc1ccc(CNC2CCN(CCc3ccncc3)CC2)cc1 71792603 JPKZGFSQCZFKSN-UHFFFAOYSA-N 313.420 3.017 0 40 DGAB CC(C)CC(=O)Nc1ccc(C(=O)Nc2nccs2)cc1 4676959 NRYURYQHEDZXCQ-UHFFFAOYSA-N 303.387 3.380 0 40 DGAB O=C(c1nc2ccccc2s1)N1CCN(c2ccccc2)CC1 4688043 KJEIVIKXOJAUKR-UHFFFAOYSA-N 323.421 3.259 0 40 DGAB CCn1c(C)nnc1SCC(=O)Nc1ccc(Cl)cc1C 4814679 FGDGBXKDSTXZAK-UHFFFAOYSA-N 324.837 3.299 0 40 DGAB CCOc1ccc(-c2cc(C(=O)N3CCC(C)CC3)n[nH]2)cc1 6942456 SMXIMRLEJLALEG-UHFFFAOYSA-N 313.401 3.348 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1ccc(Cl)c(Cl)c1 6939527 PSVOUFGEMCEHDW-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB Cn1cc(NC(=O)N[C@H](c2ccc(F)cc2)C2CCC2)cn1 95351199 WMGCTJGOJFJAHJ-HNNXBMFYSA-N 302.353 3.222 0 40 DGAB CCc1cccc(C)c1NC(=O)[C@H]1Cc2ccccc2C(=O)O1 7400908 YJHLASWLSPPDPA-MRXNPFEDSA-N 309.365 3.278 0 40 DGAB O=C(NC[C@H]1CCO[C@@H]1c1ccccc1)NC1CCCCC1 80566272 UAGOWUXVMKTYFM-NVXWUHKLSA-N 302.418 3.396 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCCC1)c1ccc(F)cc1 15860016 IXQIFFLCWIYUAH-INIZCTEOSA-N 316.376 3.376 0 40 DGAB Cc1ccc(Cl)cc1NS(=O)(=O)N1CCC(C)CC1 7616200 DSTIRETXWDHORE-UHFFFAOYSA-N 302.827 3.037 0 40 DGAB Cc1ccc(-c2nnn(CCOc3cccc(Cl)c3)n2)cc1 7736146 ACOQAYPPERHAPS-UHFFFAOYSA-N 314.776 3.381 0 40 DGAB O=C([C@@H]1CCCO1)N1CCC(c2nc3ccccc3s2)CC1 8086183 XWEFFZHNEYXJAT-AWEZNQCLSA-N 316.426 3.181 0 40 DGAB OC1CCC(Nc2nc(-c3cccnc3)nc3ccccc23)CC1 8149164 KFYBIMJVWMCIME-UHFFFAOYSA-N 320.396 3.407 0 40 DGAB Cc1cc(C(=O)Nc2[nH]ncc2-c2cccc(Cl)c2)no1 69457734 IUNZQJMEHPSNPN-UHFFFAOYSA-N 302.721 3.279 0 40 DGAB CCCCC(=O)Nc1nnc(-c2ccc(OC)c(OC)c2)s1 17209198 QHDAMPASHQPHNA-UHFFFAOYSA-N 321.402 3.351 0 40 DGAB COCCOc1cc(NC(=O)N[C@H]2CCC[C@@H]2C)ccc1OC 69591312 JRGVQYQGYRCRBJ-JSGCOSHPSA-N 322.405 3.031 0 40 DGAB CCC[C@H]1C[C@@H](C(=O)N(CC2CC2)c2cccnc2)CCO1 97054943 KKODXISEDICYNH-RDJZCZTQSA-N 302.418 3.420 0 40 DGAB CCOC(=O)c1ccccc1N(CC)C(=O)c1csnc1C 97080430 ATXPLIBKODSJPW-UHFFFAOYSA-N 318.398 3.295 0 40 DGAB O=C(c1ccc2[nH]nnc2c1)N1CCC(Cc2ccccc2)CC1 8778741 LTGROIOXZFQGMX-UHFFFAOYSA-N 320.396 3.053 0 40 DGAB C[C@H]1CC[C@@H](C(=O)Nc2cncc(Br)c2Cl)O1 95980706 YLGZERWWYLZDBZ-RCOVLWMOSA-N 319.586 3.004 0 40 DGAB COC(=O)c1cc(F)c(C)c(NCc2nnc(C(C)(C)C)o2)c1 86205144 XWNIUJSYKRHXRQ-UHFFFAOYSA-N 321.352 3.213 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2cnn(-c3ncccn3)c2)cc1 75143243 HXKSPBUWXXGQKW-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB O=C(N[C@H]1COc2ccccc21)c1cc(-c2ccccc2F)on1 89821243 HFRIXTAIMPTIAN-HNNXBMFYSA-N 324.311 3.344 0 40 DGAB O=C(COC(=O)c1cccs1)N[C@H](c1ccccc1)C1CC1 22736900 DKGJXYQEECBVRA-MRXNPFEDSA-N 315.394 3.172 0 40 DGAB COc1ccc(-c2cc(C(=O)O)n3nc(C)c(Cl)c3n2)cc1 36615710 HMHXTXZBCWTYCA-UHFFFAOYSA-N 317.732 3.065 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@H](Nc2ccccc2C)C1=O 36635664 ICOLCNURPVDIBF-HNNXBMFYSA-N 324.380 3.138 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@H](c2ccccn2)C2CCC2)cc1 529826264 SWGYVEPTGVWMQN-SFHVURJKSA-N 323.396 3.311 0 40 DGAB Cc1noc(Cl)c1CCC(=O)N(C)C1Cc2ccccc2C1 79292763 KQPSFKBOVPEYIV-UHFFFAOYSA-N 318.804 3.195 0 40 DGAB COc1ccc(-c2cc(-c3ccccc3)nc(N)n2)c(OC)c1 71977488 FPXJLANJEOKCQI-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB CCc1ccc(N2C(=O)[C@H](N)[C@@H]2c2ccc(Cl)cc2)cc1 72228037 IZCKXAJNPAQZSN-CVEARBPZSA-N 300.789 3.318 0 40 DGAB COc1ccccc1N[C@H]1CC(=O)N(c2cc(C)ccc2C)C1=O 36635477 COEUXCOUZQNBAK-HNNXBMFYSA-N 324.380 3.056 0 40 DGAB N[C@H]1C(=O)N(Cc2ccccc2)[C@@H]1c1ccc(C(F)(F)F)cc1 72228172 MZOUVGASVLXEPC-HUUCEWRRSA-N 320.314 3.116 0 40 DGAB Cc1c[nH]cc1C(=O)NC[C@H](CN(C)C)c1ccc(Cl)cc1 564830154 DBKSRLGMWJAQIH-CQSZACIVSA-N 319.836 3.052 0 40 DGAB Cc1ccc(-c2noc(C3CCc4ccccc4CC3)n2)nn1 528214539 BGCZSHMPZKTBIN-UHFFFAOYSA-N 306.369 3.498 0 40 DGAB CCCC(=O)N(CCc1ccccc1)[C@H](C)C(=O)NCC(C)C 224515153 YMIXGSNOCNILBK-MRXNPFEDSA-N 318.461 3.019 0 40 DGAB CCOC(=O)[C@H](NC(=O)CC(F)(F)F)c1ccc(Cl)cc1 193872393 PHVKLMOAQYFSPU-LLVKDONJSA-N 323.698 3.013 0 40 DGAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1ccc(F)cc1 199524938 HLMZIRYQWFZWHL-LBPRGKRZSA-N 304.254 3.306 0 40 DGAB Cc1nc(C)c(C(=O)Nc2cccc(Oc3cccnn3)c2)o1 80031271 YWHHQRWKVOZZPC-UHFFFAOYSA-N 310.313 3.126 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccccc2Cl)C1 48310079 XHNZOXFEHDBGBT-HUUCEWRRSA-N 322.880 3.367 0 40 DGAB CSCC(=O)NCc1ccccc1CN1C[C@H](C)C[C@@H](C)C1 48354078 QAHKGXQSLYUUPK-HUUCEWRRSA-N 320.502 3.144 0 40 DGAB CC[C@@H](C)c1noc(C2CCN(C(=O)c3ccco3)CC2)n1 41122048 AMKODWHZJILZLV-LLVKDONJSA-N 303.362 3.196 0 40 DGAB COc1ccc(CN2CCC[C@@H]2C[C@@H](O)c2ccco2)cc1 195548510 RFDPTZQQZIRLQG-NVXWUHKLSA-N 301.386 3.376 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)N1CCC[C@@H](CO)C1 84560190 UKFGPLHDENWBOE-GFCCVEGCSA-N 317.414 3.046 0 40 DGAB COCCCn1c(CCCC(=O)O)nc2cccc(Cl)c21 95095669 LHRHDSBUYSSJEB-UHFFFAOYSA-N 310.781 3.134 0 40 DGAB Cc1c(Cl)ccc2c1N(C(=O)c1cc(C)n(C)n1)CCC2 96412322 PRBQSSGUVJJUFW-UHFFFAOYSA-N 303.793 3.283 0 40 DGAB CC(C)(C)OC(=O)NCCCc1nc(-c2ccc(F)cc2)no1 95829556 UBUFBVJWNLCWOM-UHFFFAOYSA-N 321.352 3.333 0 40 DGAB CC(=O)Nc1ccc(/C=C2/N=C(c3ccccc3F)OC2=O)cc1 97987500 WJGWLLHSZZZBLB-MHWRWJLKSA-N 324.311 3.129 0 40 DGAB O=C(Nc1cccc(-c2cnn[nH]2)c1)c1cc2c(s1)CCC2 583650521 YEPZFLACGBWZHJ-UHFFFAOYSA-N 310.382 3.274 0 40 DGAB CCCc1nc([C@@H](NC(=O)c2ccco2)c2ccccc2)no1 96412097 OVTKYZCDPQWAGN-HNNXBMFYSA-N 311.341 3.135 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCN(C(=O)c2ccc3c(c2)CCCC3)C1 257321656 WCPLVFLAZVZPSW-QGZVFWFLSA-N 309.413 3.227 0 40 DGAB CC(=O)[C@@H](C(=O)Nc1ccccc1)C(=S)Nc1ccccc1 255187110 BIEUTXINKCVQSF-HNNXBMFYSA-N 312.394 3.270 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3cn(C)c4ccccc34)C2)n1 257230617 GDBSOWHILSMHQY-CQSZACIVSA-N 322.412 3.230 0 40 DGAB COc1cccc(CC(=O)Nc2ccc(Cn3cccn3)cc2)c1 47176766 CRPVCOLPPDVDAK-UHFFFAOYSA-N 321.380 3.121 0 40 DGAB Cc1nc(CN2Cc3ccccc3[C@H](n3cccn3)C2)cs1 76731826 CYFNILGRURRNQQ-QGZVFWFLSA-N 310.426 3.253 0 40 DGAB O=C(NCc1nccs1)[C@H](c1ccncc1)C1CCCC1 585121473 QJERPUZIXGAFBD-HNNXBMFYSA-N 301.415 3.128 0 40 DGAB C[C@H](CN(C(=O)c1ccc(C(F)(F)F)cc1)C1CC1)C(=O)O 97039222 TWNMYRRANWLSIO-SECBINFHSA-N 315.291 3.031 0 40 DGAB Cc1ccc(NC(=O)CNC(=O)c2ccccc2C)cc1Cl 11427349 RXCOPIPCNAJRDR-UHFFFAOYSA-N 316.788 3.325 0 40 DGAB COc1ccc(NC(=O)c2ncoc2-c2ccc(F)cc2)cn1 12115092 BHOXDLFGHSQYBP-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@@H]3N1C(=O)c1cccs1 12154822 SJYAWMHDJJJNBV-YPMHNXCESA-N 324.409 3.001 0 40 DGAB O=C(COc1ncnc2ccccc12)Nc1c[nH]c2ccccc12 12192747 NSZAXIAEYIKFOD-UHFFFAOYSA-N 318.336 3.129 0 40 DGAB CC(C)N1C(=O)c2ccccc2[C@@]1(O)c1ccc2ccccc2n1 16575401 AEDJAQNYOSPMSG-HXUWFJFHSA-N 318.376 3.292 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1cc(F)ccc1F 19287481 RAHLAZRGCVNELR-DYVFJYSZSA-N 301.340 3.325 0 40 DGAB CCC(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2CC(C)C 8959093 MRMKVHQSTYLLJF-UHFFFAOYSA-N 318.417 3.443 0 40 DGAB Cc1cc(N)c(NC(=O)c2ccc3c(c2)OCCO3)cc1Cl 226347756 LSGOOVWMMPYVCU-UHFFFAOYSA-N 318.760 3.254 0 40 DGAB Fc1ccc(Br)cc1CNCCCOCC1CC1 20190184 JKOKMBDSALDFRB-UHFFFAOYSA-N 316.214 3.495 0 40 DGAB CCc1cc(N2CCC[C@H](COc3cccc(C)n3)C2)ncn1 1888850247 BKSLQMFBVHLTKY-HNNXBMFYSA-N 312.417 3.038 0 40 DGAB O=C(Cc1cccs1)NCc1cc(-c2ccc(F)cc2)on1 11613468 HOEUBOXBDWMLFW-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB CSc1nc(NCC(C)C)c2c3c(sc2n1)CN(C)CC3 20391227 DWUSHQCRSFVQQX-UHFFFAOYSA-N 322.503 3.469 0 40 DGAB Cn1ccnc1C[C@@H](NC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1 101374842 CFQLPKFXGBVWNL-DZJNRPSUSA-N 321.424 3.032 0 40 DGAB CSCc1c(C(=O)O[C@H]2C[C@@H](C)OC2=O)oc2ccccc12 32736485 NITWZHQYSBANKN-RNCFNFMXSA-N 320.366 3.157 0 40 DGAB C[C@H](NS(=O)(=O)c1ccccc1Cl)[C@@H]1C[C@H]2CC[C@H]1C2 102325533 PWLUYWICKNOGTH-CYDGBPFRSA-N 313.850 3.443 0 40 DGAB Cc1ccc2nc3c(c(C(=O)Nc4ccn(C)n4)c2c1)CCCC3 52528326 VKWLFWSJKDJXSP-UHFFFAOYSA-N 320.396 3.408 0 40 DGAB O=c1c2[nH]c3ccc(F)cc3c2ncn1Cc1ccc(F)cc1 506695 NYTDBMZLUDFZMB-UHFFFAOYSA-N 311.291 3.204 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)S(=O)(=O)c2cccs2)o1 22246064 RYZDNEZHPPTYKS-CMPLNLGQSA-N 311.428 3.285 0 40 DGAB CCOC(=O)C1CCN(Cc2ccc(F)c3cccnc23)CC1 42121797 IOQOYBZJCISXSM-UHFFFAOYSA-N 316.376 3.149 0 40 DGAB CCC1=NN(C(=O)c2ccc(Cl)cc2)[C@@](O)(C(F)(F)F)C1 108284 JYXPSNGLMSHPEJ-LBPRGKRZSA-N 320.698 3.203 0 40 DGAB O=C([C@H]1CCCN(Cc2ccccc2F)C1)N1CCCCC1 212426 FYFRKLHNAOOZII-INIZCTEOSA-N 304.409 3.050 0 40 DGAB O=C(Nc1ccc(NC(=O)C2CCCCC2)cn1)c1ccco1 1358349 RNXYQZUWDQMJLD-UHFFFAOYSA-N 313.357 3.446 0 40 DGAB C[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccc2c(c1)CCC2 24993400 NJYZGXNJBWUDRP-CYBMUJFWSA-N 323.396 3.324 0 40 DGAB COc1ccc(C(=O)[C@@H]2SC(N)=N[C@@H]2c2ccccc2)cc1 3019695 ZCHDLPRNEZDIPX-GDBMZVCRSA-N 312.394 3.049 0 40 DGAB COCc1ccccc1CNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1 25306495 XVWGZLOWAJDILV-MSOLQXFVSA-N 313.372 3.392 0 40 DGAB CCn1c(SCC(=O)Nc2ccc(F)cc2)nnc1C(C)C 4861080 SBOIYNBUHLCXSU-UHFFFAOYSA-N 322.409 3.291 0 40 DGAB CCn1cc(CN(C)C(=O)C23CC4CC(CC(C4)C2)C3)c(C)n1 6490244 YCDPPIFRSYHYKD-UHFFFAOYSA-N 315.461 3.386 0 40 DGAB O=C(c1cc(=O)c2ccccc2[nH]1)N1CCC[C@H]1C1CCCC1 56133868 RIGGMIBQXVNYHP-KRWDZBQOSA-N 310.397 3.323 0 40 DGAB C1=C[C@H]2C[C@H]1C[C@@H]2CNC[C@@H]1CCCN(Cc2cccnc2)C1 108099693 BYNXRBRRNOAAEN-FRYIKTPZSA-N 311.473 3.095 0 40 DGAB CN(C[C@@H]1CCC[C@H]1O)C(=O)N[C@H](c1ccco1)C(C)(C)C 108361515 QJFDALVXNUIQSM-GZBFAFLISA-N 308.422 3.169 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)Cc2ccc(C)cc2)c1 8356605 CFGMJVNZQMHPBM-CQSZACIVSA-N 313.397 3.432 0 40 DGAB Cn1nc(-c2cc(-c3ccccc3)nc3ccccc23)oc1=O 8861687 OOIYJTXOJLYELU-UHFFFAOYSA-N 303.321 3.256 0 40 DGAB O=C1c2ccccc2C(=O)C1NNc1ccc(C(F)(F)F)cc1 109651428 LIAXZBJGMDRDHO-UHFFFAOYSA-N 320.270 3.070 0 40 DGAB CCN(C(=O)c1cccc(N2CCNC2=O)c1)C1CCCCC1 58249725 OMDHLGJGIGPSJR-UHFFFAOYSA-N 315.417 3.011 0 40 DGAB c1cncc(-c2nc(NC3CCOCC3)c3ccccc3n2)c1 44976995 ZKXPWTAZRHSRFW-UHFFFAOYSA-N 306.369 3.283 0 40 DGAB CC1CCN(C[C@@H](O)CO[C@H]2C[C@@H]3CC[C@]2(C)C3(C)C)CC1 101213728 SQZMIYJHRNBYLK-ZMMAXQRCSA-N 309.494 3.311 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)cc1 10815633 VJHYUEILBWJSAS-UHFFFAOYSA-N 319.368 3.236 0 40 DGAB Cc1cccc(-n2ccnc2S[C@H]2CCCCNC2=O)c1C 10989673 CENWKXPZXWJKCU-HNNXBMFYSA-N 315.442 3.250 0 40 DGAB C[C@@H]1Oc2ccc(NC(=O)/C=C/c3ccccc3)cc2N(C)C1=O 12082785 DICKQNOOHDFCRA-YKWSONSWSA-N 322.364 3.082 0 40 DGAB Cc1nc(-c2ncccn2)sc1C(=O)N[C@H](C)c1ccccc1 47195192 FUUCTAUTCOZCOB-LLVKDONJSA-N 324.409 3.400 0 40 DGAB CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N)c1ccccc1O2 51943385 RHRIIQVZXVYVIE-AWEZNQCLSA-N 318.417 3.239 0 40 DGAB COC[C@@H](C)Nc1cnn(-c2ncc(Cl)cc2Cl)c1 97046031 YAKHGEZPPLJQSN-MRVPVSSYSA-N 301.177 3.021 0 40 DGAB NC(=O)N1CCC(N[C@H](CC2CCC2)c2ccccc2)CC1 97034525 PGCJKLKGRJJNQR-QGZVFWFLSA-N 301.434 3.051 0 40 DGAB COc1ccc(Cl)cc1NC(=O)COC(=O)c1ccccc1 3398840 IMEMMQIIPFMSBD-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB Cc1ccc(CC(=O)Nc2cccc(C[S@@](C)=O)c2C)cc1 72286776 VPVFTIMQEFJEHH-QFIPXVFZSA-N 315.438 3.363 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(Cl)nc2)c1 3474041 FTOBWJSEIRTOIA-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB COc1cc(C(=O)NCc2ccccc2)cc(Cl)c1OC 3480362 JPSRVJXBOHDJOW-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB CC(=O)Nc1cccc(NC(=O)[C@H]2CCOc3ccccc32)c1 62636847 UBRIQEDJZFXXLY-INIZCTEOSA-N 310.353 3.150 0 40 DGAB Cc1cc(Cl)ccc1NC(=O)CCNC(=O)c1cccs1 12975168 KBQXCFDUKGDZBM-UHFFFAOYSA-N 322.817 3.469 0 40 DGAB Cc1ccccc1CNC(=O)CCc1ccc2c(c1)OCCO2 113969404 SQBFLQCGWZNZMK-UHFFFAOYSA-N 311.381 3.015 0 40 DGAB O=C(c1c[nH]nc1-c1ccc(Cl)cc1)N1CCCSCC1 63760785 IFTFYJPUDCNDQF-UHFFFAOYSA-N 321.833 3.309 0 40 DGAB Cc1c(CCC(=O)O)c(=O)oc2c(C)c(OC(C)C)ccc12 4046618 VGWQUEVLBRNYKL-UHFFFAOYSA-N 304.342 3.214 0 40 DGAB biogenic CCOc1ncccc1NC(=O)N(C)Cc1ncc(CC)s1 83074807 OKJYZTPBYNMWAB-UHFFFAOYSA-N 320.418 3.163 0 40 DGAB C[C@H](NC(=O)[C@H]1CCC(=O)N1Cc1ccccc1)c1ccccc1 4110071 KGOFKCILZHZVDV-MAUKXSAKSA-N 322.408 3.055 0 40 DGAB Fc1cccc(Cl)c1COc1cccc(-n2cnnn2)c1 5474342 NYVDGSLXHMSXGK-UHFFFAOYSA-N 304.712 3.034 0 40 DGAB C[C@H]1C[C@@H](OC(=O)CCC(=O)Nc2nccs2)CC[C@H]1C 4654029 QOTJCLZJYOZYKD-WOPDTQHZSA-N 310.419 3.230 0 40 DGAB CC(=O)C[C@H](c1ccccc1)c1c(O)c2ncccc2oc1=O 5817081 JOBGAZBDRXNGTO-CYBMUJFWSA-N 309.321 3.005 0 40 DGAB C[C@@H](NC(C)(C)CNC(=O)C1(C)CCOCC1)c1ccccc1 68385808 GIJDGQADDMDYCI-OAHLLOKOSA-N 318.461 3.049 0 40 DGAB COc1ccc(C(=O)N(CCCO)Cc2ccccc2)c(C)c1 84089956 JEIKMLZCLBEMHH-UHFFFAOYSA-N 313.397 3.028 0 40 DGAB Cc1cnn([C@H](C)[C@H](C)NCc2cnc(-c3ccccc3)nc2)c1 71882153 FKLKEVIANWYPQV-JKSUJKDBSA-N 321.428 3.388 0 40 DGAB O=C([C@@H]1CCCc2ccccc21)N1CCC[C@H](n2ccnc2)C1 69660229 YLCKVTOVRUKZCJ-FUHWJXTLSA-N 309.413 3.167 0 40 DGAB CO[C@H](C(=O)NCc1nc(C(C)(C)C)cs1)c1ccccc1 69659860 SGVLSANPIHSQTL-HNNXBMFYSA-N 318.442 3.445 0 40 DGAB C[C@H](NC(=O)CSc1ncc2ccccn12)c1cccs1 8707852 DNERIRWIODJHJJ-NSHDSACASA-N 317.439 3.365 0 40 DGAB O=C(C=C1CCC1)Nc1nc2ccccc2nc1N1CCCC1 87083566 JNPINWTZTZTOQO-UHFFFAOYSA-N 308.385 3.279 0 40 DGAB Cc1noc([C@@H]2CCCCN2C(=O)c2cccc3[nH]ccc23)n1 72329847 KZGNGVXSZISOAS-HNNXBMFYSA-N 310.357 3.227 0 40 DGAB FC(F)Sc1ccc(NCc2cnc3cnccn23)cn1 97232042 IAJRPCQTQJSSMO-UHFFFAOYSA-N 307.329 3.051 0 40 DGAB CS(=O)(=O)c1ccc2nc(NCc3ccccc3)sc2c1 62716546 YQHGPKPOORRWCF-UHFFFAOYSA-N 318.423 3.312 0 40 DGAB CCc1nnc(COc2ccc(Oc3ccccn3)cc2)n1C 95401394 ZFEMPLFQLMYDAD-UHFFFAOYSA-N 310.357 3.144 0 40 DGAB C[C@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1cccnc1 73500693 RPJGHJDRGXHQHC-VIFPVBQESA-N 311.311 3.130 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc(CCNCc2ccn[nH]2)cc1 88757256 VDKCMDFSLLONIH-UHFFFAOYSA-N 316.405 3.089 0 40 DGAB O=C(CCCc1nc(C2CC2)no1)N[C@@H]1CCC[C@H](C2CC2)C1 89598057 ZAIXUDSYZQGJQN-LSDHHAIUSA-N 317.433 3.355 0 40 DGAB COc1ccc([C@@H]2C[C@H]2C(=O)N(C)c2cc(C(C)C)[nH]n2)cc1 75146309 JQWRQSNQFTVLSW-LSDHHAIUSA-N 313.401 3.308 0 40 DGAB O[C@H](CN(Cc1ccccc1)Cc1cccnc1)c1ccco1 89832633 ATJKEZSVKGLXRP-GOSISDBHSA-N 308.381 3.410 0 40 DGAB C[C@@H](Cc1c(F)cccc1F)NC(=O)c1cc(C2CC2)on1 89904136 KWHCXHWXAJCDFK-VIFPVBQESA-N 306.312 3.191 0 40 DGAB CCC(=O)c1cc2ccccc2n1S(=O)(=O)c1ccccc1 21984581 FXVAXHRMJADBAN-UHFFFAOYSA-N 313.378 3.471 0 40 DGAB Cc1ccc([C@@H]2COCCN2Cc2cc(C(=O)O)sc2C)o1 518990762 QLCNYMIPQKORBN-ZDUSSCGKSA-N 321.398 3.230 0 40 DGAB FC(F)(F)c1ccc(CN2CCC3(CC2)OCCO3)cc1 44648923 UWVFABUXDGZYIP-UHFFFAOYSA-N 301.308 3.044 0 40 DGAB O=C(Nc1ccc(-n2cnnc2)cc1)c1cc2ccccc2o1 72229686 KLXSNJVXRGOCDS-UHFFFAOYSA-N 304.309 3.266 0 40 DGAB Cc1ccc(SC[C@H]2CSc3nc(=O)cc(C)n32)cc1 36724540 WCYXFCYHSHNNDZ-LBPRGKRZSA-N 304.440 3.299 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N2c3ccccc3C[C@@H]2C)c1 30850967 MSAPFZYKKAZYBW-UONOGXRCSA-N 311.381 3.440 0 40 DGAB COc1ccc(Cl)cc1C[C@@H](Oc1ccccc1)C(=O)O 225119608 VJKYYHVAISYCBX-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cn1ncc2c1CCC[C@@H]2NCc1csc(-c2ccco2)n1 63512379 MNPJYCLGECOTLT-ZDUSSCGKSA-N 314.414 3.304 0 40 DGAB COc1ccccc1/C=C/C(=O)NCCOc1ccc(F)cc1 223387374 NIARFFWFWWGYQZ-IZZDOVSWSA-N 315.344 3.043 0 40 DGAB C[C@@H](O)CCN[C@@H](c1ccc(Br)cc1)c1ccco1 195555485 KRIQRXPJVNSARC-ABAIWWIYSA-N 324.218 3.492 0 40 DGAB Cc1ccc(N2N[C@@](C)(c3ccc(F)cc3)NC2=S)cc1 225347259 HMMOMLZUTFMLBK-INIZCTEOSA-N 301.390 3.206 0 40 DGAB O=C1CC2(CCN(C(=O)C3CC3)CC2)Oc2c(Cl)cccc21 225828058 RVHUGSLLNLUALB-UHFFFAOYSA-N 319.788 3.076 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2cccc([C@@H](C)O)c2)c1 226274591 IMNYFCDFOIUZOV-LLVKDONJSA-N 301.342 3.009 0 40 DGAB CC(=O)Nc1ccc(N2Cc3ccccc3C2=O)cc1Cl 226287379 JMRBZVOJGAJHDK-UHFFFAOYSA-N 300.745 3.459 0 40 DGAB COc1ccc2c(c1)CCC[C@H]2NC(=O)Cc1cccs1 224080422 CNGLWQKTKKYIPP-MRXNPFEDSA-N 301.411 3.493 0 40 DGAB CC(C)(C)OC(=O)Nc1cccc(OC(F)(F)F)c1CN 199831031 FEBRNELXBXYLNI-UHFFFAOYSA-N 306.284 3.391 0 40 DGAB Cc1cccc(CS(=O)(=O)NCCc2ccc(Cl)cc2)c1 96658965 KMSJMRSTUFPDHS-UHFFFAOYSA-N 323.845 3.311 0 40 DGAB O=C(O)CCCCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 96480352 SGTRMNFOTSCNQZ-UHFFFAOYSA-N 308.765 3.196 0 40 DGAB COc1c(F)cc(NC(=O)N[C@H]2CCCC[C@H]2OC)cc1F 96434209 DZRKJSSZPKENSQ-QWHCGFSZSA-N 314.332 3.053 0 40 DGAB C[C@H](CNC1CCN(C)CC1)c1cccc(Br)c1 96489058 SWYGZWAMYYFLNK-GFCCVEGCSA-N 311.267 3.236 0 40 DGAB c1cc(CN2CCC3(CCOC[C@@H]3COCC3CC3)CC2)co1 96106454 VMWOBIDMBYXYEY-GOSISDBHSA-N 319.445 3.325 0 40 DGAB OCCN(Cc1ccncc1)Cc1ccc(Cl)c(Cl)c1 96489122 CQKHAGSMIVFIQY-UHFFFAOYSA-N 311.212 3.383 0 40 DGAB CC(C)C[C@H](N[C@@H]1CCN(CC(F)(F)F)C1)c1ccccn1 96476801 INFSKTHEUGYCAY-HIFRSBDPSA-N 315.383 3.395 0 40 DGAB Cc1nc(Cl)nn1C[C@@H](O)c1ccc(Cl)cc1Cl 95116236 XHVJOBCLORLSIG-SNVBAGLBSA-N 306.580 3.280 0 40 DGAB CN(C)c1ccc(N(C)C(=O)CSC[C@H]2CCCCO2)cc1 584906697 VEZVLTWDDVURIO-MRXNPFEDSA-N 322.474 3.018 0 40 DGAB CC1(c2ccn[nH]2)CCN(C(=O)CCc2ccccc2F)CC1 257289575 PZGXASJLFWBYST-UHFFFAOYSA-N 315.392 3.062 0 40 DGAB COc1ccc(NC(=O)[C@H]2CN(C)C[C@H]2c2ccccc2)c(C)c1 252515854 OEHIHDXWQHCODQ-ROUUACIJSA-N 324.424 3.288 0 40 DGAB N[C@@H]1C[C@H](NCc2ccc(N3CCCC3=O)cc2)c2ccccc21 261637907 HYZZGQJOAHUDLM-MOPGFXCFSA-N 321.424 3.048 0 40 DGAB CCC(CC)(CO)C(=O)Nc1ccc(-n2cnc(C)c2C)cc1 568529981 METCUWIHSYAYET-UHFFFAOYSA-N 315.417 3.226 0 40 DGAB CC(C)C[C@H]1CCCCN1C(=O)CCc1nc(C2CC2)no1 75110734 AQQPCKWIZSKCPG-CQSZACIVSA-N 305.422 3.307 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCc1ccccn1 75605730 KBFQGXVPPKBRBA-CQSZACIVSA-N 304.825 3.157 0 40 DGAB O=C(NCCCOCC1CC1)Nc1ccccc1OC(F)F 58278998 WNZZWAPCUSXMRX-UHFFFAOYSA-N 314.332 3.226 0 40 DGAB COc1cccc2cc([C@@H](C)NCCc3nc(C)no3)oc12 97034681 BEOKYNNJFZTWAQ-SNVBAGLBSA-N 301.346 3.026 0 40 DGAB Cc1cc(CCC(=O)N[C@H]2CCC23CCOCC3)ccc1F 585409289 NFNMMNPIASQSAO-INIZCTEOSA-N 305.393 3.142 0 40 DGAB CN(C(=O)c1cnn(Cc2ccccc2)c1)c1ccc(F)cc1 154222954 ZOAPSALUHRFJKV-UHFFFAOYSA-N 309.344 3.347 0 40 DGAB O=C(N1CCC(=C2CC2)CC1)C1(c2ccccc2)CCOCC1 238818219 BZHMSEUAKSPOSH-UHFFFAOYSA-N 311.425 3.448 0 40 DGAB O=C(N[C@@H]1CC[C@@H](Cc2ccccc2)C1)N[C@H]1CC[C@H](O)CC1 249008908 WLQBYQKDOGQGKL-FJIDUMEYSA-N 316.445 3.001 0 40 DGAB Cc1ccc(F)cc1NC(=O)CCn1c(=O)oc2ccccc21 5241781 STWQCJMNAQKAHV-UHFFFAOYSA-N 314.316 3.071 0 40 DGAB Nn1c(SCc2cccc(Cl)c2)nnc1-c1ccco1 5335822 YVFZVVIGECPLFN-UHFFFAOYSA-N 306.778 3.198 0 40 DGAB C[C@H](NC(=O)Cc1ccsc1)c1ccc(-n2ccnc2)cc1 9754428 WGQHLGFFACFSKQ-ZDUSSCGKSA-N 311.410 3.354 0 40 DGAB CCc1ccc(CN(C)C(=O)Cc2ccc(NC(C)=O)cc2)cc1 25449410 XZAQAVKAZAFDFB-UHFFFAOYSA-N 324.424 3.409 0 40 DGAB COc1cccc(-c2noc(-c3c[nH]c4ccccc4c3=O)n2)c1 38487444 VFTNXYVVXATEEL-UHFFFAOYSA-N 319.320 3.254 0 40 DGAB O=C(COc1ccc(Cl)cc1)Nc1nc2ccccc2[nH]1 46835 QDAMAZCPWBRTRR-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB COc1ccc2cc(C(=O)N3CCn4cccc4[C@H]3C)[nH]c2c1 30260782 OCUZDJFEBJCQME-GFCCVEGCSA-N 309.369 3.195 0 40 DGAB O=C(/C=C/c1cscn1)Nc1cccc(Oc2cnccn2)c1 50313143 PMQAYUYLQQVTHV-SNAWJCMRSA-N 324.365 3.377 0 40 DGAB Cc1cc(NC(=O)c2c(C)nn(C)c2C)ccc1Br 20216166 LLCWCOKDWYZRIS-UHFFFAOYSA-N 322.206 3.360 0 40 DGAB CC(=O)N[C@@H]1C(=O)N(Cc2ccccc2)c2ccc(Cl)cc21 100641840 MKBGYFXAGRYPIX-INIZCTEOSA-N 314.772 3.064 0 40 DGAB Cc1nc(CSCC(=O)Nc2ccc(C)c(Cl)c2)no1 32935216 SBGLNVVACSLQBO-UHFFFAOYSA-N 311.794 3.212 0 40 DGAB COCC(=O)Nc1ccc(OC(F)F)c(Cc2ccccc2)c1 32843052 YBOORJUNKNQNGU-UHFFFAOYSA-N 321.323 3.464 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@@H]1CCc2ccccc21 32850795 WKQJBWVBTLZEEP-MRXNPFEDSA-N 311.381 3.268 0 40 DGAB Cc1cc(NC(=O)NC[C@H](c2cccs2)N2CCCC2)no1 21835789 AGBYJSJTRGZXFO-GFCCVEGCSA-N 320.418 3.003 0 40 DGAB Cc1nccc(-c2cccc(NC(=O)/C=C/c3cccnc3)c2)n1 33125981 MVSVKNHTHLGHKU-BQYQJAHWSA-N 316.364 3.499 0 40 DGAB COC(=O)C1(NC(=O)[C@H](C)Sc2ccccc2)CCCCC1 22503818 LBYPACVAHLDJPA-ZDUSSCGKSA-N 321.442 3.159 0 40 DGAB C[C@H](NC(=O)C1CCOCC1)c1cccc(Br)c1 23111919 DMBVZDOANPJPIK-JTQLQIEISA-N 312.207 3.053 0 40 DGAB O=C(Nc1ccc(Br)cc1Cl)c1cnsn1 151278 HAOKFPGZJJNOOR-UHFFFAOYSA-N 318.583 3.206 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccccc1Cl)c1ccc(F)cc1 278471 ASSNTODWRYJKBP-CQSZACIVSA-N 321.735 3.425 0 40 DGAB COC(=O)c1[nH]c2ccccc2c1NC(=O)c1ccc(F)cc1 547761 RBKUSDYJTCLKFB-UHFFFAOYSA-N 312.300 3.346 0 40 DGAB CCc1ccc(-c2csc(NC(=O)[C@H]3CCCO3)n2)cc1 1002404 FGKVSHKADMZXQJ-CQSZACIVSA-N 302.399 3.490 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCCC2=CCCCC2)s1 3250005 AHLLWLVQXYHYKH-UHFFFAOYSA-N 307.415 3.220 0 40 DGAB CCCOc1ccc2cc(-c3csc(N)n3)c(=O)oc2c1 3289355 VTTGGDYEHGKXSI-UHFFFAOYSA-N 302.355 3.288 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccccc1Cl)c1ccccc1 3313053 YOYHNSQODCGFSL-MRXNPFEDSA-N 302.805 3.373 0 40 DGAB Cc1ccc(SCC(=O)Nc2ccc(C(N)=O)cc2)cc1C 3605510 ALPZBQFTRITFAI-UHFFFAOYSA-N 314.410 3.133 0 40 DGAB CCOc1ccc(C(=O)Nc2c(C(N)=O)oc3ccccc23)cc1 3893431 ZWTIQWQXDZHYMN-UHFFFAOYSA-N 324.336 3.183 0 40 DGAB CCc1ccc(N[C@H]2CC(=O)N(c3ccccc3OC)C2=O)cc1 4335118 YCKZMZQMPQUGFI-HNNXBMFYSA-N 324.380 3.002 0 40 DGAB COc1ccc(NC(=S)NC(=O)CC(C)C)cc1Cl 4525877 LDGSKXQEGQMJDE-UHFFFAOYSA-N 300.811 3.208 0 40 DGAB CC(=O)N/C(=C\c1ccccc1)C(=O)OC/C=C/c1ccccc1 5206507 IUMVOVVCMMLTJP-KGFIMHSTSA-N 321.376 3.420 0 40 DGAB COc1cccc(OC)c1OCC(=O)Nc1ccc(Cl)cc1 5294481 QVAZHCNCDNSWOL-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB CC(=O)c1ccc(O[C@H](C)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 5654366 PDPLCFMKGBFZBX-SUYBPPKGSA-N 303.402 3.351 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2cccs2)c1C 7550282 OSLHBANXWRRDFG-NSHDSACASA-N 319.382 3.324 0 40 DGAB COc1ccc(CNC(=O)c2ncc(-c3ccccc3)o2)cc1 9321311 CUYCKVMRHICKCY-UHFFFAOYSA-N 308.337 3.280 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)C2(c3ccccc3F)CC2)C1 12199483 YSMQHTGOINIPRT-HNNXBMFYSA-N 318.436 3.094 0 40 DGAB CCOc1ccc(C(=O)N2CCO[C@@H](c3ccccc3)C2)cc1 12441530 TWUBGZIQOGTBFL-GOSISDBHSA-N 311.381 3.299 0 40 DGAB O=C(N[C@@H](Cc1ncc[nH]1)c1ccccc1)c1ccccc1F 12550573 BKJFUFHUSRFJEN-INIZCTEOSA-N 309.344 3.263 0 40 DGAB COc1ccc(Cl)cc1NC(=O)COc1ccccc1O 12617317 KYMZLBCDKDFRFL-UHFFFAOYSA-N 307.733 3.072 0 40 DGAB O=C1CCC[C@@H]1Sc1nnc(Cc2cccs2)n1C1CC1 12748560 PUFQRYQLZLJKJE-ZDUSSCGKSA-N 319.455 3.479 0 40 DGAB Clc1ccc2nc(CSc3nnc4ccccn34)cn2c1 13118072 XJCDEXFLMKCIBJ-UHFFFAOYSA-N 315.789 3.323 0 40 DGAB Cc1c(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)oc2ccccc12 16489123 JXLJYSDCNZDPBN-UHFFFAOYSA-N 307.309 3.163 0 40 DGAB O=C(c1ccncc1)N1CCC(c2nc3ccccc3o2)CC1 21915471 XZLSUSAHNXMXCX-UHFFFAOYSA-N 307.353 3.243 0 40 DGAB Cc1ccc(C(=O)Nc2nc3c(s2)CN(C)CC3)cc1C 22698905 WWPMFFDUGUZBII-UHFFFAOYSA-N 301.415 3.000 0 40 DGAB Cc1cnc(NC(=O)c2cccc(OC[C@H]3CCCO3)c2)s1 23055327 VLZRZQUJVBYILQ-CQSZACIVSA-N 318.398 3.262 0 40 DGAB CCN(CC)S(=O)(=O)N[C@@H](C)c1cccc2ccccc12 23397385 SLHOZOGFKFAGBI-ZDUSSCGKSA-N 306.431 3.077 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2cccc(OC)c2)c1 24582189 BVWPCSSTJWARPB-UHFFFAOYSA-N 322.368 3.226 0 40 DGAB CCc1ccc(C(=O)Nc2ccc(CC(=O)NC(C)C)cc2)o1 25125984 SHRMWGFGZRNSDA-UHFFFAOYSA-N 314.385 3.161 0 40 DGAB CS(=O)(=O)c1ccc(-c2csc(-c3ccco3)n2)cc1 25204642 QKLMZNGXQMSEGH-UHFFFAOYSA-N 305.380 3.474 0 40 DGAB COC(=O)[C@H]1Cc2c([nH]c3ccccc23)[C@@H](c2cccs2)N1 26771525 KYUMJWNDZQTKTB-CZUORRHYSA-N 312.394 3.006 0 40 DGAB biogenic COc1ccc([C@H](NC(=O)CN(C(C)C)C2CC2)C2CC2)cc1 26942880 WEOJRYKWCKNNJU-LJQANCHMSA-N 316.445 3.135 0 40 DGAB Cc1csc(=O)n1CCC(=O)Nc1cccc(Cl)c1F 30888059 VYURBDRYIFOKBS-UHFFFAOYSA-N 314.769 3.040 0 40 DGAB O=C(c1cc(Cl)c[nH]1)N1CCC([C@@H](O)c2ccccc2)CC1 31269040 WLGDKKKWENKZEI-INIZCTEOSA-N 318.804 3.254 0 40 DGAB COc1ccccc1[C@H](C)NC(=O)[C@H](C)n1cnc2ccccc21 31812015 SLGPDRHBLPROMX-KBPBESRZSA-N 323.396 3.483 0 40 DGAB COc1ccc(NC(=O)Cc2cnc(-n3cccc3)s2)cc1 32095386 ZTOVVNOJEKQXMX-UHFFFAOYSA-N 313.382 3.124 0 40 DGAB CC(C)NC(=O)c1cc(Cl)ccc1I 32477107 KHWROJIWNSLSGN-UHFFFAOYSA-N 323.561 3.083 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CCc1nc(-c2ccsc2)no1 32768152 QTWJBTBXPRSMMH-YPMHNXCESA-N 319.430 3.426 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2ccsc2)no1 32768155 QTWJBTBXPRSMMH-WCQYABFASA-N 319.430 3.426 0 40 DGAB CN(C)c1ccc(NC(=O)Cc2ccc(-n3cccc3)cc2)cn1 32818041 AUKKYSCCQQRPSJ-UHFFFAOYSA-N 320.396 3.120 0 40 DGAB NC(=O)c1cccc(COc2ccc(Br)cc2F)c1 32827046 RVMAWEVWUUSSBA-UHFFFAOYSA-N 324.149 3.266 0 40 DGAB Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C(=O)O)cc1 35571350 FNYOAUTWNGUZLV-KGLIPLIRSA-N 305.374 3.030 0 40 DGAB Cc1nn2c(C(=O)O)cc(-c3ccc(F)cc3)nc2c1Cl 36615719 WRIJVFYEQYWEKH-UHFFFAOYSA-N 305.696 3.195 0 40 DGAB COC(=O)c1cc(-c2ccc(C)cc2)nc2c(Cl)c(C)nn12 36615762 HIWRXMSLCASEBS-UHFFFAOYSA-N 315.760 3.453 0 40 DGAB Nc1cc(C(=O)O)ccc1Nc1cccc(Br)c1 37930517 OXZDJFROIMGEFI-UHFFFAOYSA-N 307.147 3.473 0 40 DGAB Cc1nc2c(Br)cc(Br)cn2c1C 38857103 YTVAVHFVWDJYTF-UHFFFAOYSA-N 303.985 3.476 0 40 DGAB Fc1cc(Cl)ccc1-c1nnc2sc(-c3ccn[nH]3)nn12 40286668 SEJDNXIVIGVOGV-UHFFFAOYSA-N 320.740 3.035 0 40 DGAB O=C(NCCC1CCCCC1)C(=O)Nc1ccc(Cl)cc1 41852939 VIKFAWCBQDBAEP-UHFFFAOYSA-N 308.809 3.365 0 40 DGAB Cc1csc2nc(CN[C@@H](C)c3cccc(F)c3)cc(=O)n12 43303315 LEZSFSVQGVJKQQ-NSHDSACASA-N 317.389 3.054 0 40 DGAB Cc1cccc(C(=O)N2CCCN(Cc3cccs3)CC2)c1 44872773 HRZHXUKLUYSJMY-UHFFFAOYSA-N 314.454 3.405 0 40 DGAB CCN(CC)c1ccc(NC(=O)NCc2csc(C)n2)cn1 45342840 DEYCPOOJDWCQPK-UHFFFAOYSA-N 319.434 3.014 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)O 48382420 RGQWVNYADJZTDK-KGLIPLIRSA-N 317.385 3.389 0 40 DGAB CC(C)c1nn(C)cc1CNCc1ccc(Cn2cccn2)cc1 48685335 WCGPGLVLHNANEP-UHFFFAOYSA-N 323.444 3.078 0 40 DGAB CCC[C@H](C)N(C)C(=O)N[C@@H](CC(=O)N(C)C)c1ccccc1 58175398 HPUHOPPRCDXVDC-HOCLYGCPSA-N 319.449 3.036 0 40 DGAB O=C(CNc1ccccc1Cl)N(Cc1cccnc1)C1CC1 58327628 CFYTUSCJVYPIDU-UHFFFAOYSA-N 315.804 3.338 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N[C@H]1C[C@@H]1c1cccc(F)c1 67528846 SNSHAOSKHBGIFH-NEPJUHHUSA-N 318.377 3.232 0 40 DGAB COc1cccc(SCC(=O)N[C@H](C)c2cccnc2)c1 69925362 KVJGCKCZNLEMAT-GFCCVEGCSA-N 302.399 3.060 0 40 DGAB Cc1ccc2c(c1)CC[C@@H]2NCc1cnc(N2CCCC2)nc1 71837186 CBCRSMHAEMWHLO-SFHVURJKSA-N 308.429 3.162 0 40 DGAB Cn1cnc2c1CCN(Cc1ccc(Cl)c3cccnc13)C2 71878929 WAKYTGUYMDCYPB-UHFFFAOYSA-N 312.804 3.180 0 40 DGAB CCOC[C@@H]1CCCN(C(=O)N[C@H]2CCc3ccc(F)cc32)C1 71905361 LHNJVNXCYVHORZ-DYVFJYSZSA-N 320.408 3.271 0 40 DGAB Cc1cc(C)nc(OC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)n1 72203021 IJFRAARZDUJLCD-CQSZACIVSA-N 321.421 3.119 0 40 DGAB O=C1C[C@@H](C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2N1 72281744 HDBRIUOOADDVGK-CQSZACIVSA-N 305.337 3.232 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)CN[C@H](c1cccs1)C(C)(C)C 72285237 DMCCOIFMCXXRSL-OAHLLOKOSA-N 320.462 3.404 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CC1)c1ccncc1Cl 73020283 NOEUJOVHWUHYCT-UHFFFAOYSA-N 304.752 3.336 0 40 DGAB OCC1CCN(c2ncc(Br)c3ccccc23)CC1 78876146 QSRGBJUBCMLNHV-UHFFFAOYSA-N 321.218 3.206 0 40 DGAB O=C(Nc1ccsc1)N1CCN(Cc2ccccc2)CC1 79095684 ZAFMEDRRKTYOKD-UHFFFAOYSA-N 301.415 3.098 0 40 DGAB Cc1cc(C)nc(NCCC(=O)Nc2cccc3c2ccn3C)n1 79494584 UWFPDFMQJXEGKV-UHFFFAOYSA-N 323.400 3.026 0 40 DGAB O=C(CNC1(c2nccs2)CCCC1)Nc1ccccc1 81577884 BQUMPWNWYDPXRB-UHFFFAOYSA-N 301.415 3.141 0 40 DGAB O=C(Nc1ccccc1Cl)N(CCCO)Cc1ccncc1 84059037 GOVIHDHTWVMXFE-UHFFFAOYSA-N 319.792 3.152 0 40 DGAB Cn1ccc(NC(=O)N(Cc2ccccc2F)C2CCC2)n1 84321628 SOWUARZIDREKJR-UHFFFAOYSA-N 302.353 3.146 0 40 DGAB CC1(C)Cc2cc(CNC[C@@H]3CCCn4ccnc43)ccc2O1 84673775 ADZRWFFBANRUMC-HNNXBMFYSA-N 311.429 3.264 0 40 DGAB COCCC1(C(=O)N[C@H]2CCOC3(CCCCC3)C2)CCC1 89410067 JULXXQPHWWNXTO-HNNXBMFYSA-N 309.450 3.191 0 40 DGAB COC[C@H](C)NC(=O)Nc1ccc(C)c(-c2nc(C)co2)c1 89652171 NLILZIFTITUTBV-NSHDSACASA-N 303.362 3.115 0 40 DGAB CCCC1(CNC(=O)Nc2cc(C(=O)N(C)C)ccc2F)CC1 89949885 VPKYGCOSMWNIDE-UHFFFAOYSA-N 321.396 3.229 0 40 DGAB Cc1nc(NCc2ccco2)ccc1I 92826261 GCVJVTGKCGLIMG-UHFFFAOYSA-N 314.126 3.200 0 40 DGAB O=C(CN1CCCCCC1)Nc1ccnn1CC1CCCCC1 95352977 NKIHDPVSZWENJM-UHFFFAOYSA-N 318.465 3.278 0 40 DGAB C[C@@H](NC(=O)Nc1cccc(N2CCCC2)c1)C1CCOCC1 95416937 ZYPUVAQLDYBMRC-CQSZACIVSA-N 317.433 3.223 0 40 DGAB Cc1nc(CN[C@@H](C)CC(=O)N2CCCCCC2)sc1C 95423524 VFMROWHHQQAYRH-LBPRGKRZSA-N 309.479 3.031 0 40 DGAB O=C(NCc1cc(-c2ccccc2)on1)c1ccc2cc[nH]c2n1 95467425 BSMBKYATJCRPSG-UHFFFAOYSA-N 318.336 3.148 0 40 DGAB COc1cc(C)c([C@@H](C)NC(=O)c2[nH]c(C)cc2C)cc1OC 95966002 YBQZARJTBFYYNN-CYBMUJFWSA-N 316.401 3.448 0 40 DGAB C[C@H](N[C@H](CCO)c1cccs1)c1ccc2c(c1)OCO2 95968338 KMXGLMDHSXQJSR-WCQYABFASA-N 305.399 3.251 0 40 DGAB CC(C)(C)c1ncsc1C(=O)N1CCC[C@@H](CCC(=O)O)C1 95992006 HRQDGQLLQSOSDZ-NSHDSACASA-N 324.446 3.158 0 40 DGAB CC(C)c1nc([C@H]2CCCCCN2C(=O)c2ccncc2)no1 96001258 JNLLTJLNRSJDPG-CQSZACIVSA-N 314.389 3.346 0 40 DGAB Cc1nc([C@H]2COCCN2CCOCc2ccccc2)cs1 96220626 OKXSWXQSXCCMTQ-QGZVFWFLSA-N 318.442 3.042 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1ccccn1 96231189 NURNUTKCVHBFFO-INIZCTEOSA-N 321.380 3.379 0 40 DGAB Cc1csc(-c2cccc(NC(=O)NC[C@H]3CCOC3)c2)n1 96403214 RARFHMSRMNVWOZ-GFCCVEGCSA-N 317.414 3.277 0 40 DGAB C[C@H]1C[C@H](Sc2nnc(CCCc3ccccc3)o2)C(=O)O1 96430333 MQFATJXHCGPXQN-AAEUAGOBSA-N 318.398 3.041 0 40 DGAB Cc1c(COC(C)C)cccc1NC(=O)N1CCCN(C)CC1 97052174 ZTTPKYKJYSOJLA-UHFFFAOYSA-N 319.449 3.089 0 40 DGAB COC(=O)c1ccc(Cl)c(CN(C)Cc2c(C)noc2C)c1 97080380 PKVYGUDTOMAEBD-UHFFFAOYSA-N 322.792 3.363 0 40 DGAB Cc1cc(NC(=O)Nc2cccc([S@@](C)=O)c2)ccc1O 97104805 WWACKHBFJVXWFL-NRFANRHFSA-N 304.371 3.082 0 40 DGAB CCc1noc(C)c1NC(=O)N(C[C@@H](C)O)C1CCCCC1 97113486 FBVNWVDALITXEU-LLVKDONJSA-N 309.410 3.093 0 40 DGAB CCCOc1ccc(CN[C@@H](C)CN2CCCCC2)cc1OC 97287735 XBHJLWWYSJYXKX-INIZCTEOSA-N 320.477 3.448 0 40 DGAB Cn1/c(=N\C(=O)Cc2cccs2)sc2cc(F)ccc21 101247925 CPEOTAYOXLARFF-JQIJEIRASA-N 306.387 3.110 0 40 DGAB CCn1cc(CNc2ccc(Cl)c(C[S@@](C)=O)c2)cn1 195559010 LEZLBCMZYFNSJS-HXUWFJFHSA-N 311.838 3.047 0 40 DGAB COc1ccc(NC(=S)NCc2ccc(Cl)cc2)cn1 223930063 LDPVKMPXNMWRCN-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB CCOCC(=O)Nc1cc(-c2ccc(OC)nc2)ccc1C 225762098 XXHSDCPCSRZBMP-UHFFFAOYSA-N 300.358 3.041 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(N(C)C)c(N)c2)cc1 226268054 XBAMDODJKLOXCC-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB C[C@@H](C(=O)Nc1nc2ccccc2s1)N1CCCCCC1=O 227115676 GMGWDCNMCOZOAD-NSHDSACASA-N 317.414 3.026 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3cccc(Br)c3)=NN[C@H]2C1 228937289 ZVKCVZVHVAKIBP-AAEUAGOBSA-N 321.218 3.130 0 40 DGAB Cc1nc(C)c(C(=O)NCc2ccnc(-c3cccnc3)c2)s1 238943342 WEVBKSDDGAXTRX-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB COC(=O)c1cccc(-c2noc([C@@H]3CCO[C@@H]3C(C)C)n2)c1 252481330 CJBCRDJQDMVBDT-ZIAGYGMSSA-N 316.357 3.052 0 40 DGAB c1ccc(Nc2cc([C@H]3CCCN3Cc3c[nH]cn3)ccn2)nc1 257326106 WVVISBZYXBIYGV-MRXNPFEDSA-N 320.400 3.280 0 40 DGAB CCOc1ccccc1N(Cc1ccccc1)S(C)(=O)=O 408624201 GDCYYKYQHBYTJV-UHFFFAOYSA-N 305.399 3.052 0 40 DGAB CCn1c(=O)c(N(C)[C@H](C)c2ccccn2)nc2ccccc21 518515692 VTPRKCWUFRQUFU-CYBMUJFWSA-N 308.385 3.009 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1[C@@H]1CCC(=O)N1 585128810 NXALKUXELQUXDG-WSMBLCCSSA-N 312.413 3.403 0 40 DGAB Cc1cccc(F)c1C(=O)N1CCC2(CC1)CC(N(C)C)C2 1565547210 GSCUVSQQNSXQJR-UHFFFAOYSA-N 304.409 3.081 0 40 DGAB FC(F)(F)c1cccnc1N1CC(COc2cccnc2)C1 1776001548 ZKHKEPNASBFSCG-UHFFFAOYSA-N 309.291 3.011 0 40 DGAB CCc1ccccc1NC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C 352805 OOAOSOAEXSJSJL-MSOLQXFVSA-N 301.386 3.309 0 40 DGAB COc1ccc(C(=O)N[C@H](C)c2cc(OC)ccc2OC)cc1 509411 FYBVDQXHCJKETI-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CCN(C(=O)COC(=O)c1cccc(OC)c1)C1CCCCC1 3369066 RLVCCRLCIUCEDX-UHFFFAOYSA-N 319.401 3.033 0 40 DGAB Cc1nc(OCC(=O)N[C@H]2CCCC[C@H]2C)c2ccccc2n1 3562899 CHQMLDSNIMTPOQ-DOMZBBRYSA-N 313.401 3.012 0 40 DGAB CCCCc1ccc(NC(=O)CSc2nnc(N)s2)cc1 3601788 KSARLZXAFQAKJA-UHFFFAOYSA-N 322.459 3.194 0 40 DGAB COc1ccc(OC)c(-c2cc3ccc(OC)cc3oc2=O)c1 4087685 ZHNGDDANTSTKGG-UHFFFAOYSA-N 312.321 3.486 0 40 DGAB biogenic O=C(CSc1nccn1Cc1ccco1)NC1CCCCC1 4248847 DVCVTMYOSZKQBN-UHFFFAOYSA-N 319.430 3.065 0 40 DGAB O=C(OC[C@H]1CCCN2CCCC[C@H]12)c1ccc(F)c(F)c1 4597868 CANUBXZJGLXAEB-CZUORRHYSA-N 309.356 3.386 0 40 DGAB CC(=O)c1ccc(OCC(=O)Nc2cc(F)ccc2C)cc1 5688176 QMPIUNQRNHLCLL-UHFFFAOYSA-N 301.317 3.354 0 40 DGAB FC(F)Oc1ccc(C2=Nn3c(nnc3C3CC3)SC2)cc1 5754739 YWWSHEQGQOHKFK-UHFFFAOYSA-N 322.340 3.115 0 40 DGAB O=C1CCN(C(=O)c2ccccc2Cl)c2ccccc2N1 5945834 MGUFRVATPJMNSV-UHFFFAOYSA-N 300.745 3.329 0 40 DGAB CC(C)[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)O 5977246 IESBGFNMSPMHCI-SNVBAGLBSA-N 305.161 3.224 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(C)cc2F)cc1 6430798 MEYVTRLACYXXRZ-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=S(=O)(Nc1c(F)cccc1F)c1ccc2c(c1)CCC2 7405405 KJJRTGGSBDUNGI-UHFFFAOYSA-N 309.337 3.254 0 40 DGAB Cn1ccs/c1=N\C(=O)/C=C/c1cccc(C(F)(F)F)c1 7974032 KBQLMDZUTDNEOV-GPMZJDOWSA-N 312.316 3.246 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)s1 8342648 OKTDVJOZYXVXQS-UHFFFAOYSA-N 309.774 3.332 0 40 DGAB O=c1[nH]c(Nc2ccccc2Cl)nnc1Cc1ccccc1 8553688 XODTWHZMLBTSKF-UHFFFAOYSA-N 312.760 3.153 0 40 DGAB CCOC(=O)c1ccccc1NC(=S)N1CCC(C)CC1 8682582 SDYKFBXFPCPMFH-UHFFFAOYSA-N 306.431 3.292 0 40 DGAB COc1ccccc1CNC(=O)CCc1ccc(N(C)C)cc1 8780196 RUHPTRUYNOMEKM-UHFFFAOYSA-N 312.413 3.010 0 40 DGAB Cc1ccc2nc(NS(=O)(=O)c3cccs3)sc2c1 8864724 LARWLBLVGCRJBJ-UHFFFAOYSA-N 310.425 3.467 0 40 DGAB COc1cc(OC)c(C(=S)NCc2ccccc2)cc1OC 9188077 AZUMHJFBSJZURT-UHFFFAOYSA-N 317.410 3.178 0 40 DGAB COc1ccc([C@H](O)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 12183809 VGMIPAIBGXBFHV-ZBFHGGJFSA-N 321.417 3.376 0 40 DGAB COc1ccc(CCC(=O)N[C@H]2CCOc3ccccc32)cc1 12782139 LUZOOWOCPZRTES-KRWDZBQOSA-N 311.381 3.268 0 40 DGAB Cc1ccccc1CNC(=O)CN1CCc2sccc2[C@H]1C 12912859 AOKFLIUXRCYDLC-CQSZACIVSA-N 314.454 3.292 0 40 DGAB O=C(Nc1nccs1)c1nn(-c2ccccc2)c2c1CCC2 13012671 FRKWLCQXPFUGIP-UHFFFAOYSA-N 310.382 3.070 0 40 DGAB O=C(C[C@H](C(=O)O)c1ccccc1)Nc1ccc(F)cc1F 13252481 HFUCYNZOLXGXAD-LBPRGKRZSA-N 305.280 3.162 0 40 DGAB Cc1ccc(CS(=O)(=O)N2CCCc3ccccc32)cc1 13676055 ZTRGGLZROPLRNG-UHFFFAOYSA-N 301.411 3.278 0 40 DGAB CCOc1ncccc1C(=O)NCc1ccccc1OC(F)F 14127259 DBOKERTWAHLCLO-UHFFFAOYSA-N 322.311 3.012 0 40 DGAB Cc1ccc(CN(C)C(=O)c2cc(Cl)c3c(c2)OCO3)o1 14200584 FRYDNBJXNDXFJG-UHFFFAOYSA-N 307.733 3.242 0 40 DGAB O=C(/C=C/c1cnn(-c2ccccc2)c1)NCc1ccccc1 14878076 NSBOYBYXUJJYDZ-VAWYXSNFSA-N 303.365 3.202 0 40 DGAB O=C(COCc1cc(-c2ccco2)on1)N1CCc2ccccc21 15679233 LEGAXALGLJIONF-UHFFFAOYSA-N 324.336 3.041 0 40 DGAB Cc1nn(CCCNC(=O)NC2CCCCC2)c(C)c1Cl 17052244 KXPZCKLVSWRVJX-UHFFFAOYSA-N 312.845 3.175 0 40 DGAB Cc1ccc2[nH]c(Nc3nc(C)c4ccccc4n3)nc(=O)c2c1 18006558 DHTSFJNAOXFHJL-UHFFFAOYSA-N 317.352 3.227 0 40 DGAB CCOc1cc(C=O)ccc1OCc1ccc2c(c1)OCO2 20131664 ARWHURHKRQSADS-UHFFFAOYSA-N 300.310 3.206 0 40 DGAB COc1ccc(C(=O)Nc2ccc(Cl)cc2N)cc1OC 20343559 XZACULJJXRMPHO-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CC(C)[C@@H](C(=O)Nc1ccccc1O)N1Cc2ccccc2C1=O 20727124 SAQHIZGPMRFFSK-KRWDZBQOSA-N 324.380 3.011 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)C/C=C/c2ccccc2)cc1 21386004 WHJSCONWHDGDDH-RMKNXTFCSA-N 301.411 3.329 0 40 DGAB COc1ccc(CC(=O)Nc2cccc3cccnc23)c(OC)c1 21552258 YHUBIONOXWNZGB-UHFFFAOYSA-N 322.364 3.433 0 40 DGAB CN(Cc1ccco1)C(=O)COCc1nc2ccccc2s1 21902968 BOSUVOHXPPNJCX-UHFFFAOYSA-N 316.382 3.065 0 40 DGAB O=S(=O)(N[C@@H](c1ccccc1)C1CC1)c1ccc(F)cc1F 22134347 CIQFQJONHFFTJJ-INIZCTEOSA-N 323.364 3.394 0 40 DGAB CCOc1ccccc1CN(CCN(C)C)Cc1ccncc1 22913747 QSAZBLVPBXSLSJ-UHFFFAOYSA-N 313.445 3.044 0 40 DGAB C[C@@H](CC(=O)Nc1cccnc1-n1cccn1)c1ccccc1 25009630 FJYXHWIKKNJTST-AWEZNQCLSA-N 306.369 3.400 0 40 DGAB COc1cc(F)ccc1NC(=O)c1cc(Br)c[nH]1 25311279 YCWUILDHNHHTFR-UHFFFAOYSA-N 313.126 3.177 0 40 DGAB O=C(CSc1ccc2ccccc2n1)NCC(F)(F)F 28832798 HMHQYNUSGVIELC-UHFFFAOYSA-N 300.305 3.005 0 40 DGAB Cc1cc(OCC(=O)N2CCOc3ccccc32)ccc1Cl 32624452 MBBCZIUBIPQZFZ-UHFFFAOYSA-N 317.772 3.453 0 40 DGAB O=C(NCCC1=CCCCC1)c1cccc(N2CCCC2=O)c1 32744579 OIQJSIKTRVJCJF-UHFFFAOYSA-N 312.413 3.434 0 40 DGAB CCONC(=O)c1sc2nc(-c3ccco3)nc(C)c2c1C 32902780 SBESXVITFVRIGK-UHFFFAOYSA-N 317.370 3.249 0 40 DGAB Cc1nc(-c2cccc(OCC(=O)Nc3ccccc3C)c2)no1 33327468 MXVSPTFMONVVCH-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1ccc(-c2cc(C(=O)O)n3nc(C)c(Cl)c3n2)cc1 36615718 XQQUUIHKWVRBEL-UHFFFAOYSA-N 301.733 3.365 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)NCc3cccs3)C2)cc1 38566776 MPJJDQYBBQWRRA-CQSZACIVSA-N 316.426 3.456 0 40 DGAB Cc1c(C(=O)Nc2ccccc2C(F)(F)F)cnc2ccnn12 38829549 NIPAPGVIOKYAHM-UHFFFAOYSA-N 320.274 3.309 0 40 DGAB COc1ccc(NC(=O)c2cc3cc(Cl)ccc3[nH]2)cn1 40058221 KOYOOLWYVLQXLB-UHFFFAOYSA-N 301.733 3.477 0 40 DGAB CC(=O)Nc1cccc(OC(=O)c2cnn(-c3ccccc3)c2)c1 40466521 WIBSKCKPYGXAGA-UHFFFAOYSA-N 321.336 3.050 0 40 DGAB Cc1cccc(C)c1C(=O)c1ccccc1CN1CCOCC1 43211456 MYSLONGKOAQHSR-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB CCc1ncncc1C(=O)Nc1ccc(Cc2ccncc2)cc1 44404686 HQMTVVAXTARPCD-UHFFFAOYSA-N 318.380 3.277 0 40 DGAB CSc1ncccc1C(=O)N[C@H](C)c1ccc2c(c1)OCO2 44895026 GNSUFKJZQQGHDX-SNVBAGLBSA-N 316.382 3.023 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2ccc3c(O)[nH]c(=S)nc3c2)C1 44917300 YSRNKYYUPIHNTH-UWVGGRQHSA-N 317.414 3.116 0 40 DGAB CC(C)CNC(=O)c1ccc(NC(=O)NC(C)C)cc1Cl 48141130 ZIKMIQGFIIBQNH-UHFFFAOYSA-N 311.813 3.256 0 40 DGAB Cc1cc(CN(C)c2ncnc3sc4c(c23)CCC4)no1 48236091 BDEARDFGEIYFBK-UHFFFAOYSA-N 300.387 3.113 0 40 DGAB C=C1c2ccccc2C(=O)N1CC(=O)N(CC)Cc1ccccc1 48276607 IHHKVDCDWZKNFF-UHFFFAOYSA-N 320.392 3.162 0 40 DGAB Cc1cccc(N(C)C(=O)COC(=O)c2ccc(F)cc2F)c1 51357234 XBNADBLLRYTVHL-UHFFFAOYSA-N 319.307 3.093 0 40 DGAB CC(C)N1CCC(N(C)CC(=O)Nc2ccc(Cl)cc2)CC1 58166261 KHHJLROQSIKVAP-UHFFFAOYSA-N 323.868 3.083 0 40 DGAB O=C(NCc1ccc(CN2CCCC2)cc1)NC1CCCCC1 61743138 NYSVANJUFQDQMH-UHFFFAOYSA-N 315.461 3.414 0 40 DGAB c1ccc([C@@H]2CO[C@@H]3CC[C@@H](n4nnc5ccccc54)N32)cc1 63110718 WMDJEWDGKBLINT-RCCFBDPRSA-N 306.369 3.123 0 40 DGAB COc1ccc(N2Cc3cc(Cl)ccc3OCC2=O)cc1 65184300 QFYYLQQZGCBYHB-UHFFFAOYSA-N 303.745 3.274 0 40 DGAB CCCC(=O)NC[C@H]1CCCN(C(=O)c2cccc(C)c2C)C1 69528006 OVYYEHCFCCWAFG-MRXNPFEDSA-N 316.445 3.072 0 40 DGAB O[C@@]1([C@]2(O)C[C@@H]3CC[C@H]4CC[C@@H]2[C@H]43)C[C@@H]2CC[C@H]3CC[C@H]1[C@H]32 71785677 RWAAWFINOVJONO-XMDZHYAJSA-N 302.458 3.361 0 40 DGAB COCCCc1nc(-c2cc3c(cc2F)NC(=O)CC3)cs1 71828297 VRHGHWGWCADXSF-UHFFFAOYSA-N 320.389 3.413 0 40 DGAB Cc1cnn(C[C@H]2CCCN2C(=O)c2c(F)cccc2Cl)c1 71869767 LGLRMHYAUHFJPK-GFCCVEGCSA-N 321.783 3.289 0 40 DGAB N[C@@H]1C(=O)N(c2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 72227387 WEWPEWXTXJDILC-KBPBESRZSA-N 306.287 3.121 0 40 DGAB CC(=O)N1CCC[C@@H](c2nccnc2Oc2ccc(F)cc2)C1 72361691 ZUHDIPBWLPYXNX-CYBMUJFWSA-N 315.348 3.134 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@H](Cc3cccnc3)C2)s1 72385620 GGYSENIYIQYNNO-OAHLLOKOSA-N 315.442 3.250 0 40 DGAB CCOCc1ccc(NC(=O)Cn2ncc3ccccc32)cc1 75357985 USLKPMNQIXYNPF-UHFFFAOYSA-N 309.369 3.212 0 40 DGAB COc1csc(C(=O)Nc2ccc(-c3nc(C)n[nH]3)cc2)c1 76093810 RALKTTWPFOPNIH-UHFFFAOYSA-N 314.370 3.103 0 40 DGAB C[C@@H](NC(=O)NCCc1nccs1)[C@H](C)c1ccccc1 83202432 HQMYRJXSZPEWGM-QWHCGFSZSA-N 303.431 3.177 0 40 DGAB O=C(CCn1ccc2ccccc21)N1CCC[C@H](c2ccn[nH]2)C1 84598666 GEMBBVTUTXGPCT-INIZCTEOSA-N 322.412 3.161 0 40 DGAB Cc1ccc(CC(=O)N[C@H]2CCCOc3ccccc32)cc1O 89438937 NFQUJHJTVNLLTE-INIZCTEOSA-N 311.381 3.273 0 40 DGAB Cc1nn(C(C)C)c(C)c1[C@H](C)NCC(=O)NC1CCCCC1 89591311 BONASKJNHQIESQ-ZDUSSCGKSA-N 320.481 3.180 0 40 DGAB CC(C)(C)c1nnc(CNc2c(F)cccc2-n2cccn2)o1 89761537 HKDSRCRZWZVDQN-UHFFFAOYSA-N 315.352 3.304 0 40 DGAB Cc1ccc(OCC(=O)Nc2[nH]nc(-c3ccncc3)c2C)cc1 95393412 LPWAITINPJVRIC-UHFFFAOYSA-N 322.368 3.106 0 40 DGAB COc1ccc2c(c1)OCC[C@H]2Nc1nc(C2CC2)ns1 95408646 MKYBUXFQAIBEIY-GFCCVEGCSA-N 303.387 3.360 0 40 DGAB COC(=O)Cc1cccc(NC(=O)c2cccc3[nH]ccc23)c1 95418746 PHEKVZPGAHVXRA-UHFFFAOYSA-N 308.337 3.136 0 40 DGAB O=C(NCC1([C@@H](O)c2ccccc2)CC1)c1c[nH]c2ccccc12 95443581 VSNDVSYTAJGQIT-SFHVURJKSA-N 320.392 3.412 0 40 DGAB c1ccc([C@@H](NC[C@@H]2Cc3ccccc3O2)c2ncc[nH]2)cc1 95940772 WFCUGHPFOVJXRS-FUHWJXTLSA-N 305.381 3.092 0 40 DGAB Cc1c(Cl)ccc2ccc(NC[C@]3(CCO)CCOC3)nc12 95986670 NWTXESVHKSTCRA-KRWDZBQOSA-N 320.820 3.398 0 40 DGAB CO[C@H]1CCN(Cc2cc(C)on2)C[C@@H]1Cc1cccc(C)c1 96110533 WCNYORMTRWCLFX-HKUYNNGSSA-N 314.429 3.371 0 40 DGAB CSc1c(Cl)cccc1NC(=O)N1CCC(CO)CC1 96435387 LHOQPYMCEKGEOA-UHFFFAOYSA-N 314.838 3.298 0 40 DGAB CN(Cc1ccncc1)[C@H](CO)c1cccc(Br)c1 96487669 XULWWISBOBOUMQ-OAHLLOKOSA-N 321.218 3.010 0 40 DGAB CS(=O)(=O)CCN1CCCCC[C@@H]1/C=C/c1cccs1 97084116 MKLWEKYXBXCMHR-MYSGNRETSA-N 313.488 3.051 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C 100629158 NJZBHIAYYLOCJA-QQGDVQBRSA-N 313.397 3.086 0 40 DGAB CCOc1ccc(N2C(=O)C[C@@H](Nc3ccccc3C)C2=O)cc1 101276229 ZRTFCDGBNWETCG-QGZVFWFLSA-N 324.380 3.138 0 40 DGAB CN(C)C(=O)c1ccc(Cl)c(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1 106062464 BMSUPCCVOMSUQO-GVXVVHGQSA-N 320.820 3.417 0 40 DGAB CCCC[C@H](CC)CNC(=O)COc1cc(OC)cc(OC)c1 224254453 ZAYRQPUPDNCAEM-AWEZNQCLSA-N 323.433 3.415 0 40 DGAB CCCCOCc1cc(C(=O)N[C@@H](C)COC)ccc1OCC 224732741 ZPGKPPXOMVRDHB-AWEZNQCLSA-N 323.433 3.167 0 40 DGAB CCCO[C@@](C)(CC)C(=O)Nc1ccc(OCCN(C)C)cc1 225729938 GGOHBTURBXHJIY-SFHVURJKSA-N 322.449 3.161 0 40 DGAB Cc1ccc2oc(=O)c(C(=O)Nc3ccc4c(c3)OCO4)cc2c1 226036913 KVDSSPZWJVPKAJ-UHFFFAOYSA-N 323.304 3.082 0 40 DGAB CC(C)(N)C(=O)NCC(C)(C)c1c(Cl)cccc1Cl 236787136 NLHUTEJJKURARQ-UHFFFAOYSA-N 303.233 3.125 0 40 DGAB CC(=O)N1CC[C@H](CN(C)C[C@H](C)c2cccc(Cl)c2)C1 249461547 FOVIPNKDCMSRFL-DZGCQCFKSA-N 308.853 3.244 0 40 DGAB CNC(=O)c1cccc(NC(=O)c2oc3ccccc3c2OC)c1 252488390 IQZDAGHOSRTNJA-UHFFFAOYSA-N 324.336 3.053 0 40 DGAB COC(=O)c1cccc(NC(=O)c2occc2C)c1OC(C)C 252498734 RJWHNQZVQOZTPC-UHFFFAOYSA-N 317.341 3.414 0 40 DGAB Cc1cncc([C@@H]2CCCN2Cc2c(C)nc3sccn23)n1 257332022 XVKYHBOQBZVZDQ-AWEZNQCLSA-N 313.430 3.140 0 40 DGAB c1cn(-c2ccc(CN3CCC[C@@H]3[C@H]3CCCOC3)cc2)cn1 516766595 ZAWFEWHDSIFSLN-PKOBYXMFSA-N 311.429 3.263 0 40 DGAB O=C(Nc1ccnnc1)N1CCC[C@@H](c2ccc(F)c(F)c2)C1 585123672 GHYGFJRKDHSVTN-GFCCVEGCSA-N 318.327 3.166 0 40 DGAB CC[C@H](OC)C(=O)Nc1c(Br)ncc2ccccc12 585125853 HMMDPSKISYLFFW-NSHDSACASA-N 323.190 3.361 0 40 DGAB CC(C)(C)OC(=O)Nc1nc2cc(Br)cnc2[nH]1 1857793267 GBTABBMWTFEYLG-UHFFFAOYSA-N 313.155 3.067 0 40 DGAB CCOc1ccc2nc(N3CC(Cn4ccnc4)C3)sc2c1 1889184598 MHYNVIOAPHPKGL-UHFFFAOYSA-N 314.414 3.028 0 40 DGAB CCc1ccc(-c2csc(NC(=O)[C@@H]3CCCO3)n2)cc1 1002405 FGKVSHKADMZXQJ-AWEZNQCLSA-N 302.399 3.490 0 40 DGAB CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)COC 148285 TYYUODPHKLDENE-UHFFFAOYSA-N 319.382 3.177 0 40 DGAB CN(C)c1ccc(NC(=O)Nc2ccc3snnc3c2)cc1 270054 DIYJGMZWEIUQJI-UHFFFAOYSA-N 313.386 3.401 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccccc1Cl)c1ccccc1 340782 MVVMUFGXEHCLPW-AWEZNQCLSA-N 303.745 3.286 0 40 DGAB O[C@@]1(c2cccs2)CN(c2ccccc2)C2=[N+]1CCCCC2 425750 NCMSWOIXDAJWOR-GOSISDBHSA-N 313.446 3.398 0 40 DGAB CC(=O)c1ccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)cc1 105697288 QUPRTTZFKZNIHY-XJOINEQPSA-N 315.413 3.209 0 40 DGAB COc1ccc(Nc2ccc(NC(=O)c3cnn(C)c3)cc2)cc1 12542153 FAYFEWBMWTWSPQ-UHFFFAOYSA-N 322.368 3.425 0 40 DGAB Cc1ccc(NC(=O)[C@H]2CCCN(c3nccc(C)n3)C2)c(C)c1 1358071 YGJAAAINTBOHNE-INIZCTEOSA-N 324.428 3.257 0 40 DGAB O=C(COc1ccc2c(c1)OCO2)Nc1ccc(Cl)cc1F 6128790 QHKKGNKTIFRKLN-UHFFFAOYSA-N 323.707 3.225 0 40 DGAB CCOc1ccc(NC(=O)C(=O)NCCC2CCCCC2)cc1 6963040 RSRPRVBNPJRLDE-UHFFFAOYSA-N 318.417 3.110 0 40 DGAB CCCN1C(=O)c2ccccc2N[C@@H]1c1ccc(C(=O)O)cc1 7886470 DFKJCWOOWHOCMW-INIZCTEOSA-N 310.353 3.361 0 40 DGAB COCc1ccc(C(=O)N2CCN(c3cccc(C)c3)CC2)cc1 12544019 AHDIQCCKUBFNSR-UHFFFAOYSA-N 324.424 3.104 0 40 DGAB CCCCC(=O)NC(=S)Nc1ccc(Br)cc1 2052172 GRLWSSLKLUKTBY-UHFFFAOYSA-N 315.236 3.452 0 40 DGAB O=C(CNC(=O)c1ccc(Cl)cc1Cl)Nc1ccccc1 8205523 QDTVFPAAHSZIGO-UHFFFAOYSA-N 323.179 3.362 0 40 DGAB C[C@H](OC(=O)c1cc(=O)c2ccccc2o1)C(=O)c1ccccc1 8497227 WSTPAEKJIMVHRV-LBPRGKRZSA-N 322.316 3.221 0 40 DGAB O=C(COC(=O)/C=C/c1ccco1)Nc1ccc(F)cc1Cl 3276236 GQFMQPGIKJNPNL-GQCTYLIASA-N 323.707 3.267 0 40 DGAB Cc1nc([N+]2=C3C=CC=C[C@H]3N=N2)c2c3c(sc2n1)CCC3 101456297 NZSAEOSWVMFEJD-LLVKDONJSA-N 308.390 3.449 0 40 DGAB CCN(CC)CCn1cc(NC(=O)c2ccc(C)cc2C)cn1 58438515 XDRKVRLMIGTABI-UHFFFAOYSA-N 314.433 3.094 0 40 DGAB COCC1(C)CCN(C(=O)Nc2ccc(OC)c(F)c2)CC1 95459675 COXZBSSSRQYJJY-UHFFFAOYSA-N 310.369 3.115 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C[C@@H]1C=CCC1)c1cccc(F)c1 29082518 XZKZIAHVDQWYSV-CXAGYDPISA-N 313.376 3.121 0 40 DGAB C[C@@H](NC(=O)Nc1ccncc1)c1ccc2c(c1)OCCCO2 46070253 AMGLCFVJYBZZTI-GFCCVEGCSA-N 313.357 3.126 0 40 DGAB CCCc1noc([C@@H](C)S(=O)(=O)Cc2cc(C)ccc2C)n1 46174160 HAOMEDSWYLNUKG-CYBMUJFWSA-N 322.430 3.315 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1 2581316 MTHMASLDLVIZAE-UHFFFAOYSA-N 309.774 3.343 0 40 DGAB OC[C@H]1[C@@H]2CC[C@@H]([C@H]1CO)C2(c1ccccc1)c1ccccc1 104068248 PCXZMSHDACDQDE-YRPNKDGESA-N 308.421 3.230 0 40 DGAB CC(=O)N/C(=C\c1ccccc1C)C(=O)N[C@H](C)c1ccccc1 12293941 WSOKVMQIEJNVFP-JPVKTXQWSA-N 322.408 3.349 0 40 DGAB COc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N2C)cc1 3418964 PWOOGUSIQMUWMV-FOWTUZBSSA-N 324.405 3.300 0 40 DGAB Cc1nnc(S[C@H](C)C(=O)NCCC2=CCCCC2)s1 5054192 XSEZDWXOECRSDN-SNVBAGLBSA-N 311.476 3.334 0 40 DGAB O=C(COc1cccnc1)N[C@H]1[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 409412769 BMHZSLIFIFQJAZ-HNBVOPMISA-N 322.408 3.159 0 40 DGAB CCCN1C(=O)[C@@](O)([C@@H](C)C(=O)c2ccccc2)c2ccccc21 4554663 ACVUNIAZKVWVRX-VBKZILBWSA-N 323.392 3.150 0 40 DGAB CCOC(=O)c1c(NC(=O)c2ccccn2)sc(C)c1C 14237309 ANBIGWCVEJATNB-UHFFFAOYSA-N 304.371 3.189 0 40 DGAB Cc1cc(OCN2C(=O)c3ccccc3C2=O)ccc1Cl 6509325 LLKGPZYVLCJRDL-UHFFFAOYSA-N 301.729 3.281 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)Nc1ncc(C)s1 409175897 DHQNZHTXAUFFGX-UHFFFAOYSA-N 321.427 3.141 0 40 DGAB COc1ccc2oc(C(=O)Nc3ccc(C(N)=O)cc3)c(C)c2c1 5636711 KODHQNQTZSUPGH-UHFFFAOYSA-N 324.336 3.101 0 40 DGAB COc1cc(OC)cc(C2=NC3(CCCCCC3)NC2=S)c1 4891194 DGYHZZYBVRCROL-UHFFFAOYSA-N 318.442 3.474 0 40 DGAB O=C(Nc1cc(F)ccc1F)c1cc2ccccc2oc1=O 15005448 IGKHYZNXSIQIMR-UHFFFAOYSA-N 301.248 3.324 0 40 DGAB O=C(NCCSCc1ccccc1)c1n[nH]c2ccccc12 7140894 ZVGREQBYDZKAPG-UHFFFAOYSA-N 311.410 3.226 0 40 DGAB CC(C)(CN1CCCN(C2CCOCC2)CC1)c1ccccc1 96492866 GFBNEKUEYMFZBH-UHFFFAOYSA-N 316.489 3.151 0 40 DGAB Cc1cccc(NC(=O)CCn2cc(Br)cn2)c1C 28238193 RQMVPPRMPRFQBB-UHFFFAOYSA-N 322.206 3.291 0 40 DGAB CN(C(=O)c1ccc(-c2ccccc2)[nH]c1=O)c1ccccc1F 69489054 GBSUOVYRMJGRQA-UHFFFAOYSA-N 322.339 3.458 0 40 DGAB C[C@@H](NC(=O)c1cncc(Br)c1)c1cccc(F)c1 8751328 AMQCRFTUGUIUJQ-SECBINFHSA-N 323.165 3.474 0 40 DGAB COC(=O)[C@@H](N[C@@H](C)c1ccc(Cl)s1)c1cccnc1 92856966 QHZHQFKDEJFDIA-ZANVPECISA-N 310.806 3.361 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N(C2CC2)[C@@H](C)c2ccco2)n1 95955414 HBKHADMPBPFLRD-KBPBESRZSA-N 301.390 3.406 0 40 DGAB Cc1ccc(NC(=O)c2ncoc2C(C)C)c(CN(C)C)c1 95991078 COIXDCIPYBKMLF-UHFFFAOYSA-N 301.390 3.420 0 40 DGAB CC(=O)Nc1ccc(C(=O)NCc2ccc(F)c(Cl)c2)cc1 72331672 XQKZAHGOBRKXOD-UHFFFAOYSA-N 320.751 3.368 0 40 DGAB O=C(NCc1ccc(F)cc1F)c1cn[nH]c1-c1ccccc1 72328814 OZQIINXKXSTKAV-UHFFFAOYSA-N 313.307 3.285 0 40 DGAB CCOc1cc2c(cc1NCc1nccn1CC)O[C@H](C)C2 89310019 RDLKIDIBPKRONE-GFCCVEGCSA-N 301.390 3.237 0 40 DGAB CCC(=CC(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1)CC 84718225 JTMKZCBDKCSJAB-UHFFFAOYSA-N 314.429 3.284 0 40 DGAB Cc1cc(C(=O)NCC(C)C)c2cnn(C3CCCC3)c2n1 71283488 AOKXQSOMNYKCJO-UHFFFAOYSA-N 300.406 3.241 0 40 DGAB COc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1F 32585542 YCSKOFSCCWRQPU-UHFFFAOYSA-N 315.753 3.289 0 40 DGAB C[C@H]1C[C@@H](Nc2ccc(NC(=O)c3cccs3)cc2)C(=O)O1 79030352 VIEIVFIPFDINAZ-GXFFZTMASA-N 316.382 3.116 0 40 DGAB COC(=O)c1ccc(Nc2cc(Cl)ccc2OC)c(N)c1 41080925 KGOSVSYYTRREGG-UHFFFAOYSA-N 306.749 3.461 0 40 DGAB Cc1cccc(-c2cc(-c3ccc4c(c3)OCO4)nc(N)n2)c1 71978228 WEQMWYVTNKOZKG-UHFFFAOYSA-N 305.337 3.430 0 40 DGAB Cc1ccc(C(=O)c2cccc(I)c2)nc1 45028543 SLCGTNNWYBZGKB-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CC(=O)c1cccc(Nc2ccc(N)cc2C(=O)N2CCCC2)c1 225483737 ZWUIRZIXCBQGLO-UHFFFAOYSA-N 323.396 3.451 0 40 DGAB CC(C)Cc1ccc(S(=O)(=O)Cc2ccc(C(=O)O)o2)cc1 40478883 HNEKSPDQXWLQJG-UHFFFAOYSA-N 322.382 3.150 0 40 DGAB C[C@H]1CCO[C@H]1C(=O)N(C)c1ncc(-c2ccccc2)s1 195546101 XTUQMLQUEOIKBB-SMDDNHRTSA-N 302.399 3.198 0 40 DGAB CCOc1ccc(CCCNC(=S)Nc2ccncc2)cc1 225623653 XCAUINMLNZSBCT-UHFFFAOYSA-N 315.442 3.400 0 40 DGAB C[C@@H](NC(=O)OC(C)(C)C)c1nc(-c2cnn(C)c2)cs1 193745145 RKYMPVDFDREECQ-SECBINFHSA-N 308.407 3.129 0 40 DGAB O=C(COc1cccc(C(F)(F)F)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225810063 NTUPIDBSZLTFNM-GYSYKLTISA-N 313.319 3.389 0 40 DGAB COc1cccc(OCC(=O)N[C@H](C)CCc2ccccc2)c1 44508916 XTWYOUJXHKPZHI-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB CCS(=O)(=O)c1ccc(NC(=O)N[C@H]2CCCC[C@H]2C)cc1 43953213 KBNJWDFQPOTSPV-DOMZBBRYSA-N 324.446 3.180 0 40 DGAB C[C@@]1(Cc2cccc(F)c2)CCCN1C(=O)Cc1cncs1 577494836 DAWOYDYTNXSTGB-KRWDZBQOSA-N 318.417 3.449 0 40 DGAB CC(=O)Nc1c(C)cc(N[C@H](C)CCn2cccn2)cc1C 97234748 YKQAMOCLYUXMHY-CQSZACIVSA-N 300.406 3.349 0 40 DGAB Cc1nc2cc(C(=O)O[C@H](C)c3nccs3)ccc2n1C 97374858 VCMQVXYPGLUHKR-SECBINFHSA-N 301.371 3.256 0 40 DGAB O=C(Nc1cccc(CCN2CCCC2)c1)c1cc(C2CC2)[nH]n1 94122170 PXKMIDNEYJIUBL-UHFFFAOYSA-N 324.428 3.178 0 40 DGAB COCCOc1cccc(NC(=O)N2C[C@@H]3CC=CC[C@H]3C2)c1 96434152 DDWXSQJIAOEAGJ-GJZGRUSLSA-N 316.401 3.142 0 40 DGAB Cc1n[nH]c([C@H](NC(=O)CCc2cccc(Cl)c2)C(C)C)n1 96418564 IQZGUXBQKKQGQW-OAHLLOKOSA-N 320.824 3.213 0 40 DGAB C[C@@H]1CC[C@H](NC(=O)N(C)Cc2nccn2C(F)F)C[C@H]1C 245339446 SWSKWWRQKNSNKY-UTUOFQBUSA-N 314.380 3.244 0 40 DGAB O=C(O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)C1 252584837 DCXCWXWFNSMODT-SQNIBIBYSA-N 323.392 3.267 0 40 DGAB O=c1oc2cc(O)ccc2c(O)c1-c1nc2ccccc2s1 255188668 KSCHOMNWENOYJY-UHFFFAOYSA-N 311.318 3.481 0 40 DGAB CC(C)C[C@](C)(CC(=O)O)C(=O)N1C[C@H](C)C(F)(F)[C@H](C)C1 634937661 PVGPXNKEGGTWMW-TYNCELHUSA-N 319.392 3.263 0 40 DGAB Cc1cc(C(=O)N2CC[C@@H](c3ccc4c(c3)CCO4)C2)c(C)o1 585149020 QPYBMRCYTOUXEJ-MRXNPFEDSA-N 311.381 3.461 0 40 DGAB c1cncc(CO[C@H]2CSC3(C2)CN(CC2CCCC2)C3)c1 585103953 FAKAGKKVOVNDEC-QGZVFWFLSA-N 318.486 3.348 0 40 DGAB CN(Cc1ccccc1F)C(=O)c1cc(Br)c[nH]1 37494830 FGHQEIMAVBWEJP-UHFFFAOYSA-N 311.154 3.189 0 40 DGAB Cc1ccc(NC(=O)N(C)C2CCS(=O)CC2)cc1Cl 75092455 GIXWNELGSJCGIR-UHFFFAOYSA-N 314.838 3.023 0 40 DGAB O=C(NCC[C@@H](O)c1ccco1)C1(c2cccs2)CCCC1 77111157 JMQVWCFDSRKHRZ-CYBMUJFWSA-N 319.426 3.393 0 40 DGAB CCn1cc(CN[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)cn1 96456799 FKGREKHBHRSAQX-VQIMIIECSA-N 312.461 3.046 0 40 DGAB Cc1ccccc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 202350 ZOBUVVLBNUSJAV-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB O=C(O)[C](c1ccccc1Cl)N1CCc2sccc2C1 1560408727 GIQJWIPGQNRZAA-UHFFFAOYSA-N 306.794 3.424 0 40 DGAB CC(C)NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@@H]1c1ccccc1 1775965818 LCRXNKITGNBIKP-ZWKOTPCHSA-N 322.408 3.122 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2cc3cnccc3[nH]2)C1 19579976 FYVVINAATWOSFK-CYBMUJFWSA-N 324.384 3.188 0 40 DGAB Cc1ccc([C@@H](Cn2cncc2-c2cn(C)nc2C)N(C)C)cc1 19719468 YRGZYKIELMYCMO-LJQANCHMSA-N 323.444 3.203 0 40 DGAB Cc1cnc([C@H]2CCN(C(=O)c3ccc4[nH]c(C)c(C)c4c3)C2)[nH]1 1848352231 KVYONOBOUFOFPV-HNNXBMFYSA-N 322.412 3.446 0 40 DGAB CC[C@H](C)Sc1nnc(CSc2nc(C)cc(C)n2)n1C 2706250 VJBTVBOVZJEGRH-NSHDSACASA-N 323.491 3.405 0 40 DGAB Cc1nnsc1C(=O)NCc1nc(C2CCCCC2)cs1 575413972 LNRSYKFHMSCRHZ-UHFFFAOYSA-N 322.459 3.281 0 40 DGAB O=C(COc1ccccc1F)NCC1(c2ccsc2)CC1 1888919406 AXLBSYWKTRQHOU-UHFFFAOYSA-N 305.374 3.114 0 40 DGAB Cc1ccc(C(=O)COc2ccc(Cl)cc2C(N)=O)s1 8132881 IRFRTLCFNULZFH-UHFFFAOYSA-N 309.774 3.071 0 40 DGAB Nc1nc(COC(=O)C=C(C2CC2)C2CC2)nc2ccccc12 52150758 JKQIOPGCQBJICZ-UHFFFAOYSA-N 309.369 3.002 0 40 DGAB O=C(NCCC1=CCCCC1)c1ccnc(OCC2CC2)c1 253394993 BLYXLPMTFBSCLV-UHFFFAOYSA-N 300.402 3.491 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)N(C)Cc1ccccc1 4163413 DAJCCAQLUNFSAV-UHFFFAOYSA-N 306.365 3.318 0 40 DGAB O=C(COc1ccccc1F)NCc1ccc(-n2cccc2)cc1 4628873 ZJTYKHXHPMGILV-UHFFFAOYSA-N 324.355 3.312 0 40 DGAB Cn1/c(=N/C(=O)CCc2ccccc2)sc2cccc(F)c21 100909461 QCMUZVPRTTWSDI-ZPHPHTNESA-N 314.385 3.439 0 40 DGAB O=C(NC[C@@]1(O)C=CCCC1)Nc1ccccc1C(F)(F)F 585146653 XJDVUCTZBUXBFW-CQSZACIVSA-N 314.307 3.298 0 40 DGAB CCn1nnc2cc(C(=O)N(Cc3ccccc3)C3CC3)ccc21 31068988 UDAMJEXRYAWBCR-UHFFFAOYSA-N 320.396 3.256 0 40 DGAB COc1ccc([C@@H]2CC(O)=Nc3n[nH]cc32)cc1OC(C)C 31810944 IYZTXBSERVMUQG-NSHDSACASA-N 301.346 3.329 0 40 DGAB Cc1cccn2c(=O)cc(CNc3ccc(Cl)cc3F)nc12 32718880 ZVVHHURNPCMPCZ-UHFFFAOYSA-N 317.751 3.408 0 40 DGAB O=C(c1csc(-c2ccsc2)n1)N1CCO[C@@H]2CCC[C@@H]21 53384359 PPXAWXOZTUEGHO-QWHCGFSZSA-N 320.439 3.265 0 40 DGAB CC(C)Oc1ccc(-c2[nH]c(C=O)nc2Br)cc1 1857794901 SRZGBIWFIYMPEO-UHFFFAOYSA-N 309.163 3.439 0 40 DGAB CCN(CC)C(=O)CSc1ncnc2sc3c(c12)CCC3 415974 DKOYGNCKKYPHNE-UHFFFAOYSA-N 321.471 3.141 0 40 DGAB CC(=O)Nc1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 516380 CVGHZZQAJIOABM-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB O=C(c1cccc(Br)c1)N1CCO[C@@H]2CCCC[C@H]21 37653078 QMKYZUVOFGJVTG-ZIAGYGMSSA-N 324.218 3.233 0 40 DGAB Cc1c(C(=O)NOCc2ccccc2)cnn1-c1ccccc1 25285405 LMWQJQQPUXVXIA-UHFFFAOYSA-N 307.353 3.042 0 40 DGAB COC(=O)c1cccc(NCc2nc(Cc3ccccc3)no2)c1 55833101 OGPODHOHDBRTMO-UHFFFAOYSA-N 323.352 3.059 0 40 DGAB O=C(CCc1ccccc1)Nc1nnc(-c2cccnc2)s1 4560276 STHXNOXMXIGAAF-UHFFFAOYSA-N 310.382 3.171 0 40 DGAB COCCn1c(N)c(C(=O)Nc2cccc(C)c2)sc1=S 4784430 QDCLEHYSYGQLAW-UHFFFAOYSA-N 323.443 3.068 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2cccc(C(C)=O)c2)cc1 7053212 IRWWHEQTGMDUFJ-UHFFFAOYSA-N 319.382 3.089 0 40 DGAB COc1cccc(C(=O)NCCSCc2cccs2)c1 7271348 PMHLSARGAUWXKG-UHFFFAOYSA-N 307.440 3.420 0 40 DGAB Cc1ccc(OC(=O)[C@H]2CC(=O)N(Cc3ccccc3)C2)cc1C 7928662 NTCZOYCTVWNBQX-KRWDZBQOSA-N 323.392 3.258 0 40 DGAB CN1CCN(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccc2)C1 57389627 PJQTYPQSHHDQAD-QGZVFWFLSA-N 313.376 3.346 0 40 DGAB CC(C)Cn1ncnc1COC(=O)c1ccc(Cl)cc1F 95468138 RRDWXWFIHYYMOX-UHFFFAOYSA-N 311.744 3.084 0 40 DGAB CCOc1ccccc1OCC(=O)N[C@H](C)[C@H]1C[C@@H]2CC[C@@H]1C2 103097159 LNDBOYAKFWSGQU-KLHDSHLOSA-N 317.429 3.405 0 40 DGAB c1cnc(-c2nc(-c3ccc4c(c3)OCCCO4)cs2)cn1 58003098 SRTSOLWFNFCXCK-UHFFFAOYSA-N 311.366 3.428 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2cccnc2Cl)c1 8051406 AMCACAXNHBPZEO-UHFFFAOYSA-N 304.733 3.164 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1ccncc1)c1nc2ccccc2[nH]1 54634499 UUWMHEHPBUPKAP-LRDDRELGSA-N 308.385 3.475 0 40 DGAB O=C(Nc1ccncc1)c1cccc(OCc2cscn2)c1 12549428 FQKSFRVDNMIMQI-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB CS[C@H](C)C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58263967 ZMLHUXYVFXJPKK-SNVBAGLBSA-N 304.419 3.285 0 40 DGAB CCCCn1c(=O)n(C2CCCCC2)c(=O)c2ccccc21 9926711 AYWUTGZZHWHONX-UHFFFAOYSA-N 300.402 3.469 0 40 DGAB c1ccc(-c2csc(CNc3ncnc4[nH]cnc34)n2)cc1 58343074 AEBSCBWVOJASHN-UHFFFAOYSA-N 308.370 3.089 0 40 DGAB CN(CC1CCCC1)C(=O)Nc1cccc(N2CCOCC2)c1 58429367 PGSFTQJIENFDOK-UHFFFAOYSA-N 317.433 3.177 0 40 DGAB O=C1S[C@@H](Nc2ccc(F)cc2)C(=O)N1Cc1ccccc1 12042939 WVIRZPZJRIDVMN-CQSZACIVSA-N 316.357 3.459 0 40 DGAB CCn1ncc(CNC(=O)c2cc(-c3ccc(C)cc3)on2)c1C 2797706 LAWSTUIQWNQFTB-UHFFFAOYSA-N 324.384 3.105 0 40 DGAB COCCCNC(=O)/C=C/c1ccc(-c2ccc(F)cc2)o1 3200211 ULCMWZCKBPHHBK-CSKARUKUSA-N 303.333 3.252 0 40 DGAB CN(CCc1ccccn1)C(=O)c1ccc(OC(F)(F)F)cc1 12630649 NMDCSAPSELTWEQ-UHFFFAOYSA-N 324.302 3.295 0 40 DGAB CCOc1ccccc1CNC(=O)COc1ccc(CC)cc1 20481698 XUOPHDBOOSBKKR-UHFFFAOYSA-N 313.397 3.343 0 40 DGAB Cc1nn(C)c2ncc(C(=O)N(C)[C@@H]3CCc4ccccc43)cc12 12766523 IOWFKATYELVGRN-QGZVFWFLSA-N 320.396 3.036 0 40 DGAB O=C(CSc1nncs1)Nc1ccccc1C(F)(F)F 3413503 SEHFVDDDXFXISG-UHFFFAOYSA-N 319.333 3.288 0 40 DGAB O=C(c1cncc(Br)c1)N1CCc2ccccc2C1 3477210 XEEZVYYDKNALQL-UHFFFAOYSA-N 317.186 3.043 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2ccc(F)cc2)cc1F 3510071 KDNLVMPRUGWQHW-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB CC[C@H](NC(=O)NC[C@@H](C)c1nccs1)c1nc(C)cs1 97110501 AQMYJGRFVRJOAP-KOLCDFICSA-N 324.475 3.462 0 40 DGAB O=C(c1cnc2ccccc2n1)N1CC[C@@H](c2ccccc2)C1 38567067 FSRRSRQZGWEUBH-OAHLLOKOSA-N 303.365 3.260 0 40 DGAB O=C1S[C@@H](Nc2ccccc2F)C(=O)N1c1ccccc1 4270122 WLABGAVEJXXTOD-CYBMUJFWSA-N 302.330 3.464 0 40 DGAB Cc1cc(S(=O)(=O)NCCc2ccccc2)c(C)cc1Cl 13938233 AYAXWSGHBYCKTC-UHFFFAOYSA-N 323.845 3.478 0 40 DGAB COCCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 65493073 SDMOXDCBIPQHGS-CYBMUJFWSA-N 300.402 3.430 0 40 DGAB Cc1noc(C)c1CC(=O)NCCCSc1ccc(F)cc1 14094491 JIWDYPSBTAXSJG-UHFFFAOYSA-N 322.405 3.272 0 40 DGAB O=C(CCCc1cccs1)N1CCC[C@H](n2cccn2)C1 65609570 FQSLATBFWMGNPF-AWEZNQCLSA-N 303.431 3.131 0 40 DGAB O=C(CN1CCCC1=O)Nc1cccc(Oc2ccccc2)c1 14230685 YZRGNYWDZOUJLP-UHFFFAOYSA-N 310.353 3.040 0 40 DGAB Cc1ccc(-c2nsc(NC(=O)c3cccnc3)n2)s1 66413356 PIEHJRIRLSCPNP-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB CNC(=O)c1ccc(Nc2ncnc3sc4c(c23)CCC4)cc1 7271274 DXVWWXBQMZFJKD-UHFFFAOYSA-N 324.409 3.283 0 40 DGAB CCN1CCC(NCc2c[nH]nc2-c2ccc(Cl)cc2)CC1 71839171 VIBDKRXKCGILFV-UHFFFAOYSA-N 318.852 3.304 0 40 DGAB Cc1noc(CCCC(=O)N2CC(C)(C)[C@H]2c2ccccc2)n1 71823384 HUNGVJRIPATVOK-QGZVFWFLSA-N 313.401 3.310 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1 7405015 CNFFROYHXHGMRQ-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB O=C(CSCc1ccncc1)N1CC[C@H](c2ccccc2)C1 71844398 CYKSAXLFJUYWSV-KRWDZBQOSA-N 312.438 3.331 0 40 DGAB C[C@H](NC(=O)CSc1ncccn1)c1cc2ccccc2o1 8069795 WHVDUDHKGAVHDP-NSHDSACASA-N 313.382 3.192 0 40 DGAB Cc1ccccc1CC(C)(C)NC(=O)CCCC(=O)NC(C)C 71900164 GIXRGZZSDKNOPA-UHFFFAOYSA-N 318.461 3.127 0 40 DGAB O=C(Nc1ccncc1)Nc1ccccc1OCCn1ccnc1 69776521 ZXYJQZAQYSFMCL-UHFFFAOYSA-N 323.356 3.001 0 40 DGAB CCc1nnc2n1C[C@H](CNc1nc3ccccc3s1)CC2 69774288 CGHLEHDYICPOFU-NSHDSACASA-N 313.430 3.125 0 40 DGAB O=C(NCc1ccco1)N1CCC[C@H](c2nc3ccccc3[nH]2)C1 9679658 BQMRRPWFNIPMJT-ZDUSSCGKSA-N 324.384 3.245 0 40 DGAB Cc1cccc2c1N(C(=O)c1c(Cl)nc3ccccn13)CC2 84229797 UYZFQISWJNVARL-UHFFFAOYSA-N 311.772 3.499 0 40 DGAB Cc1nc(-c2ccc(Cl)c(Cl)c2)n(CC(C)(C)O)n1 95438948 JCTMMMLBSZWIMK-UHFFFAOYSA-N 300.189 3.331 0 40 DGAB Cn1nc(-c2cccc(Cl)c2)cc1C(=O)Nc1ccncc1 72404110 KFMIAMRYJCIHSK-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB CC[C@](C)(NCC(=O)N[C@H]1CCCC[C@@H]1C)c1nccs1 72685066 WWVUEMHBYYKWBE-XEZPLFJOSA-N 309.479 3.053 0 40 DGAB CCn1c(SCCn2ccnc2)nnc1-c1ccc(C)cc1 95977066 DWDVBSZBJCDWQL-UHFFFAOYSA-N 313.430 3.262 0 40 DGAB Cc1cc(F)cc(NC(=O)N2CC[C@@H](CN3CCCC3)C2)c1 95984859 RFMPUPXTWMSDBD-AWEZNQCLSA-N 305.397 3.084 0 40 DGAB c1nc(N[C@@H]2CCO[C@]3(CCSC3)C2)c2ccsc2n1 89885390 VXUJJNPBNNVUJR-QMTHXVAHSA-N 307.444 3.158 0 40 DGAB C[C@H](NC(=O)NC1CC(C)(C)NC(C)(C)C1)c1ccccc1 26180315 KSCVMVFTCVHBKC-ZDUSSCGKSA-N 303.450 3.356 0 40 DGAB CCN(Cc1nonc1C)C(=O)c1ccc(Cl)cc1Cl 32648034 HVOJUTRADZATEN-UHFFFAOYSA-N 314.172 3.347 0 40 DGAB O=C(O)/C=C/c1cccc(NC(=S)NCc2ccccc2)c1 216928916 FDLYGXCGSRCBHZ-MDZDMXLPSA-N 312.394 3.271 0 40 DGAB COc1cccc2c1OCC(=O)N(c1ccc(SC)cc1)C2 75165470 OMRIWPCYMHWUDI-UHFFFAOYSA-N 315.394 3.343 0 40 DGAB COc1ccc(CN(C)CCOc2ccc(F)cc2)cc1OC 40161833 WOBNXHPIRAAWMM-UHFFFAOYSA-N 319.376 3.354 0 40 DGAB COc1cccc(O[C@H](Cc2cccc(Cl)c2)C(=O)O)c1 225059328 GLKFJIIMNRVNRF-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB C[Si](C)(C)c1ccc(Br)c2c1OC(F)(F)O2 195874499 BVHZFCMJDOOEAZ-UHFFFAOYSA-N 309.182 3.316 0 40 DGAB O=C1OC[C@@H]2CCN(C3CCCC3)Cc3ccc(F)cc3N12 225486465 USFLKNNYKQCNMV-HNNXBMFYSA-N 304.365 3.299 0 40 DGAB biogenic,in-vitro CCCC(=O)N(Cc1ccc(F)cc1)[C@@H](C)C(=O)N[C@@H](C)CC 225244868 QZAUTVJBWVDLCU-KBPBESRZSA-N 322.424 3.258 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)c2ccc(F)cc2)cc1 224591654 KZRSODOKAMGIOO-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB CC(C)c1noc(C2CCN(C(=O)c3cccs3)CC2)n1 41121969 RMDHJVSIAASAFH-UHFFFAOYSA-N 305.403 3.274 0 40 DGAB CCc1cc(OC)c(OC)cc1C(=O)Nc1cccc(O)c1 41126241 BHEXGHVRDDMNSQ-UHFFFAOYSA-N 301.342 3.224 0 40 DGAB C[C@H](O)c1c(-c2ccc(Cl)cc2)noc1C(=O)N1CCCC1 225436232 BFHDRBVSXYOLKD-JTQLQIEISA-N 320.776 3.284 0 40 DGAB biogenic,in-vitro CCC[C@H](C)NC(=S)Nc1ccc(Br)cn1 225194633 FGDIHKOPAXDSLK-QMMMGPOBSA-N 302.241 3.319 0 40 DGAB O=C(c1ccco1)N1CCCC12CCN(Cc1ccco1)CC2 96049323 DCABXWWDAXNVJN-UHFFFAOYSA-N 314.385 3.143 0 40 DGAB Cc1ccc(CCC(=O)N[C@@H](c2ccccc2)[C@H](C)C(=O)O)o1 96480301 DKQFLUZKJFOGRU-SUMWQHHRSA-N 315.369 3.099 0 40 DGAB c1ccc(CCc2nc(CNC3CCOCC3)cs2)cc1 96459583 XRXCSGTWYJUGKU-UHFFFAOYSA-N 302.443 3.197 0 40 DGAB Cc1c(NC(=O)N[C@H]2CCC[C@@H]2O)cccc1OC1CCCC1 96415930 BAMTZOBIZOYOIF-HOTGVXAUSA-N 318.417 3.351 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2ccsc2)C1 96436124 RSNLDOOBKSYARU-QWHCGFSZSA-N 324.446 3.058 0 40 DGAB C[C@H](CNC(=O)N[C@H](C)c1ccncc1)Cc1cccs1 96437643 BTZWVAUIASEOMF-QWHCGFSZSA-N 303.431 3.382 0 40 DGAB Cc1cc(N(C)C(=O)c2cccn2C)ccc1Br 96408095 RYCHWNAGEIFWQU-UHFFFAOYSA-N 307.191 3.373 0 40 DGAB C[C@@H](C(=O)N1CCC[C@@H]1C(C)(C)O)c1ccc(Cl)s1 96487199 MTUSHGSGIQTXAL-MWLCHTKSSA-N 301.839 3.267 0 40 DGAB C[C@@]1(C(=O)NC2CCCC2)CC(c2ccccc2Cl)=NO1 96192870 PVRBQXUHYSLKKW-INIZCTEOSA-N 306.793 3.282 0 40 DGAB CC1(C)C[C@H](NCc2cccc(OCc3ccccn3)c2)CO1 585087345 FJDARJQPMKEOPC-KRWDZBQOSA-N 312.413 3.318 0 40 DGAB Cc1c[nH]c(-c2ccc(NC(=O)[C@@H](C)OCC(C)C)cc2)n1 585130610 WIHISNBZCPPPLR-CYBMUJFWSA-N 301.390 3.385 0 40 DGAB CC(=O)NCc1ccc([C@@H]2CCCN2CCc2ccccc2)nc1 257245415 IPJNIXWNOHHSGB-FQEVSTJZSA-N 323.440 3.097 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CC[C@H](c2ccccn2)C1 85472930 OLRDYLPDPSVPQP-HNNXBMFYSA-N 319.364 3.366 0 40 DGAB CN1C(=O)N(c2cccc(F)c2)[C@H]2[C@@H]1CC[C@H]2c1ccccn1 257303560 SHRXDDOLHZWCBO-BHYGNILZSA-N 311.360 3.407 0 40 DGAB Cc1cnc2c(c1)N(C(=O)c1cccc(-n3cccc3)c1)CC2 1544297853 UBTCPNJPLWZQFW-UHFFFAOYSA-N 303.365 3.384 0 40 DGAB Cc1cccc2oc(CCNC(=O)N3CCc4ccccc43)nc12 266354636 QITCBXNETOHIAN-UHFFFAOYSA-N 321.380 3.451 0 40 DGAB CC(C)c1ncc(C(=O)Nc2ccccc2CC(=O)O)s1 262738204 FZOCTUQCCJRJLP-UHFFFAOYSA-N 304.371 3.146 0 40 DGAB Cc1ccc([C@H]2C[C@H]2C(=O)Nc2cccc(-n3cnnc3)c2)s1 69416906 BIWVYXACUJAVNY-LSDHHAIUSA-N 324.409 3.379 0 40 DGAB O=C(NC[C@@H]1CCO[C@H]1c1ccccc1)c1ccncc1Cl 73115603 LNJWGYTZWHVXRF-BBRMVZONSA-N 316.788 3.243 0 40 DGAB COc1ccc(C2=CCN(Cc3nnsc3Cl)CC2)cc1 40540715 CTLDXEHRAZRMQA-UHFFFAOYSA-N 321.833 3.489 0 40 DGAB C[C@H]1CCN(C(=O)CCN2CCSC2=O)c2ccccc21 40516490 YLKGQLBQQSHMDB-LBPRGKRZSA-N 304.415 3.086 0 40 DGAB Clc1cc(CN2CCN(c3ccncc3)CC2)cc(Cl)n1 79058801 BOBXGGJXQTXKHY-UHFFFAOYSA-N 323.227 3.106 0 40 DGAB Cc1cc(C(=O)N2CC[C@H](CSc3ccccc3)C2)on1 76067119 FMJHENUGPBRFRI-ZDUSSCGKSA-N 302.399 3.237 0 40 DGAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@H](C)CC[C@H]1C 95962678 AQVJMPVRACYPMO-ZIAGYGMSSA-N 323.458 3.129 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)/C=C/c3ccccc3)oc2c1 557400 PLTMQLTYYLUAOE-JXMROGBWSA-N 321.336 3.438 0 40 DGAB CC(=O)c1ccc(N2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4=C(C)C)[C@H]3C2=O)cc1 12363859 IEOCZOQZXTVXMY-CYGHRXIMSA-N 321.376 3.147 0 40 DGAB CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccccc2)cc1 14229310 QJQKDLLADWEVLV-CYBMUJFWSA-N 305.399 3.125 0 40 DGAB CC(C)(C)c1noc([C@@H]2CCN(Cc3ccccc3F)C2)n1 19084652 FXFWKZDZKLYTBV-CYBMUJFWSA-N 303.381 3.496 0 40 DGAB O[C@H](CN1CCC(Oc2ccc(F)cc2)CC1)c1cccs1 19342955 HWAHNLSMFPSBDJ-MRXNPFEDSA-N 321.417 3.464 0 40 DGAB O=C(NCc1ccc(C(=O)O)cc1)Nc1cccc(Cl)c1 5568699 HFAINQVDCZAZNJ-UHFFFAOYSA-N 304.733 3.360 0 40 DGAB Cc1ccc(C[C@H]2CCC[C@@H]3CN(Cc4cnn(C)c4)C[C@@H]32)nc1 643912136 SCLWGGCNNHTYAP-QWFCFKBJSA-N 324.472 3.214 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1Sc2ccc(Cl)cc2NC1=O)C1CC1 25594754 MJBHJASTQJFCOC-OQPBUACISA-N 324.833 3.058 0 40 DGAB CCCSc1nnc(NC(=O)Cc2ccc(OC)cc2)s1 4079408 ZMMUUWXNNLECBO-UHFFFAOYSA-N 323.443 3.230 0 40 DGAB Cc1cccc(C(=O)Nc2cc3c4c(c2)CCC(=O)N4CCC3)c1 5154060 GVOQNUDKHKMSIX-UHFFFAOYSA-N 320.392 3.473 0 40 DGAB O=C(Cc1cc(-c2cccs2)on1)NCc1ccc(F)cc1 12422228 RUHXGMVFQWMTKY-UHFFFAOYSA-N 316.357 3.401 0 40 DGAB Cc1ccc2c(c1)[C@]1(CCN(C(=O)c3cc(C4CC4)on3)C1)CO2 2055793316 ONNZIDGHDZEUJW-IBGZPJMESA-N 324.380 3.037 0 40 DGAB COc1ccc2nc(NC(=O)c3ccnn3C(C)C)sc2c1 36701756 DQQHOAOUKKLQMF-UHFFFAOYSA-N 316.386 3.335 0 40 DGAB O=C(Nc1cccs1)N[C@@H]1CCN(Cc2ccsc2)C1 606440540 ACVQQCRHQJYZLZ-GFCCVEGCSA-N 307.444 3.206 0 40 DGAB c1ccc(N2C[C@H]3CN(c4nc5ccccc5s4)C[C@@H]3C2)nc1 2298092184 KOFDVQXMDWVPEW-KBPBESRZSA-N 322.437 3.264 0 40 DGAB CCOC(=O)c1sc(NC(=O)c2ccccc2F)nc1C 188302 GCEVHVBUIVPKLT-UHFFFAOYSA-N 308.334 3.020 0 40 DGAB COc1cccc(C(=O)c2cnc3c(F)cc(F)cc3c2O)c1 248816 IYQLXOUZIFZTSH-UHFFFAOYSA-N 315.275 3.458 0 40 DGAB Cc1c([C@@H](C)NC(=O)Nc2nc3ccccc3s2)cnn1C 31662248 BCWOSOPEGFGCQL-SECBINFHSA-N 315.402 3.221 0 40 DGAB CCOC(=O)c1cc(C)sc1NC(=O)c1ccccc1OC 227401 OWOQYWSCQUOIRK-UHFFFAOYSA-N 319.382 3.494 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)CCc1nc(-c2ccsc2)no1 32768154 QTWJBTBXPRSMMH-DGCLKSJQSA-N 319.430 3.426 0 40 DGAB O=C(NCc1ccccc1)O[C@@H]1CCN2Cc3ccccc3N=C12 485626 QCYQMQAFDHSMPH-QGZVFWFLSA-N 321.380 3.231 0 40 DGAB biogenic COC(=O)COc1ccc2c(=O)c(-c3ccccc3)coc2c1 488853 ZUFBEEKVXWBESD-UHFFFAOYSA-N 310.305 3.012 0 40 DGAB biogenic Cc1cc(C(=O)N(C)Cc2ccccc2Br)no1 42200337 ARKLRUNMKOSVLN-UHFFFAOYSA-N 309.163 3.018 0 40 DGAB O=C(NCCc1coc(-c2ccccc2)n1)[C@H]1C[C@H]2CC[C@H]1C2 106180790 GMQGWQAUMVZCSH-QRTARXTBSA-N 310.397 3.437 0 40 DGAB Cc1ccccc1N1CCN(C(=O)CCOc2ccccc2)CC1 1718137 YGAKNGVXVHAKBS-UHFFFAOYSA-N 324.424 3.113 0 40 DGAB CC(C)(C)[C@H](NC(=O)Nc1cc(Cl)ccc1Cl)C(N)=O 79107219 UKNCDNBNLWQXPN-SNVBAGLBSA-N 318.204 3.015 0 40 DGAB COCCSc1nnc(-c2ccncc2)n1-c1ccccc1 4921907 AUQQJQHWODDPFW-UHFFFAOYSA-N 312.398 3.068 0 40 DGAB Cc1cccc(-n2c(C)cc(/C=C3/NC(=O)N(C)C3=O)c2C)c1C 6968417 UGCAZGHZHOIIJE-MHWRWJLKSA-N 323.396 3.233 0 40 DGAB COc1cc(/C=C/C(=O)Nc2ccccc2F)cc(OC)c1 7947027 ZDTNJLAOKRZFGE-BQYQJAHWSA-N 301.317 3.495 0 40 DGAB NC(=O)c1ccc(OCc2coc(-c3cccc(F)c3)n2)cc1 26014607 LPJWIHSXHIAXDO-UHFFFAOYSA-N 312.300 3.159 0 40 DGAB CCCCNC(=S)Nc1ccc(N2CCCC2=O)c(C)c1 10951242 RXYFXFYBJPZSOZ-UHFFFAOYSA-N 305.447 3.208 0 40 DGAB COC(=O)c1ccc(NC(=S)N[C@H]2CCCC[C@@H]2C)cc1 8685873 RUDVHNAWAFHILW-FZMZJTMJSA-N 306.431 3.338 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H]1CN1CCO[C@H]2CCCC[C@@H]21 57862096 DDHMTADZXYTAQE-PMPSAXMXSA-N 324.465 3.029 0 40 DGAB COc1ccc(F)cc1[C@H](C)NC(=O)N(C)Cc1cc(C)on1 44971085 GUBMHGDCSUCJHQ-NSHDSACASA-N 321.352 3.033 0 40 DGAB O=C(NCc1ccccc1Cl)Nn1cnc2ccccc21 10403831 SJGBEENYZHQFKX-UHFFFAOYSA-N 300.749 3.143 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)Nn2cnc3ccccc32)cc1 10405179 ATTQMVDLEQESIH-CYBMUJFWSA-N 324.384 3.449 0 40 DGAB Cc1ccnc(C(=O)c2ccccc2I)c1 45028606 CESVUYJPIMPPEO-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB COc1c(CN[C@H]2CCOc3c(Cl)cccc32)c(C)nn1C 58421659 PQWDCTZEPLWYJZ-AWEZNQCLSA-N 321.808 3.004 0 40 DGAB Cc1nc(-c2cccc(OC(=O)c3ccc(Cl)nc3)c2)no1 36397097 QJFVVKDCHUUBBA-UHFFFAOYSA-N 315.716 3.313 0 40 DGAB COc1ccc(C2=C[C@@H](c3cccc(F)c3)n3ncnc3N2)cc1 101229376 PGGMQYFRIWBXIF-KRWDZBQOSA-N 322.343 3.482 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCCN(C)c2ccccc2)cc1 24241181 NTCLDMQBZBUDIC-INIZCTEOSA-N 312.413 3.015 0 40 DGAB COc1cccc(NC(=S)NC[C@H](C)N2CCCC[C@@H]2C)c1 36847534 GNPPSBHLDDRRRQ-KBPBESRZSA-N 321.490 3.245 0 40 DGAB COc1ccc(OC(=O)c2ccc3nc(C)c(C)nc3c2)cc1 59501719 TWDOQYSAYKMPDJ-UHFFFAOYSA-N 308.337 3.474 0 40 DGAB Cn1ccc(C(=O)N[C@H](c2ccccc2)C2CCCC2)cc1=O 46689892 SKLAIHKHWOKYLY-GOSISDBHSA-N 310.397 3.047 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)c1n[nH]c2ccccc12 12525531 CKGLMZJCOBSOHM-UHFFFAOYSA-N 309.369 3.022 0 40 DGAB CCc1ccc(CNC(=O)Nc2ccc(C(=O)OC)cc2)s1 48004880 VLOZTNMDNUGZOB-UHFFFAOYSA-N 318.398 3.419 0 40 DGAB Clc1ccc([C@@H](Nc2ccc3nnnn3n2)C2CCC2)cc1 84392695 ODORYNXFCSPTGS-HNNXBMFYSA-N 314.780 3.126 0 40 DGAB CC1CCC(Oc2cc(CNC(=O)c3ccc[nH]3)ccn2)CC1 95959487 XNNCGTRJIWJFEF-UHFFFAOYSA-N 313.401 3.297 0 40 DGAB C[C@H](C(=O)N1CCC[C@@H]1c1noc(C2CC2)n1)c1cccs1 84661307 FESGRBUAFMZXJT-CMPLNLGQSA-N 317.414 3.476 0 40 DGAB C[C@H](C1CC1)N(C)C(=O)Cc1cc(Cl)c2c(c1)OCCCO2 84636271 UEYCLTKSAGHBRB-LLVKDONJSA-N 323.820 3.301 0 40 DGAB O=C(Cc1noc2ccccc12)NCCc1ccc(Cl)s1 49010424 ZHICYLBZXBBGMI-UHFFFAOYSA-N 320.801 3.444 0 40 DGAB Cc1cc(C)cc(C(=O)NC[C@@H]2COC3(CCCCC3)O2)c1 38790683 IRUCICTUGNEYLP-MRXNPFEDSA-N 303.402 3.109 0 40 DGAB O[C@@](Cn1cncn1)(c1ccc(F)cc1)c1ccc(Cl)cc1 4105195 XSPKMOFEAJKMSE-MRXNPFEDSA-N 317.751 3.007 0 40 DGAB Cc1nnc(CSc2nnc(C3CC3)n2-c2ccccc2)o1 6128479 QILBQVIGQTZTGM-UHFFFAOYSA-N 313.386 3.128 0 40 DGAB c1ccc2c(c1)OC[C@@H](CSc1ccc3c(c1)OCCO3)O2 6114536 YRBRYACWXYQTEC-LBPRGKRZSA-N 316.378 3.390 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)c1C 14023191 JGVTXECVMRSWIN-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB CCC[C@H](C)C(=O)N[C@H](C)c1nc(-c2ccc(F)cc2)no1 65576266 MNZFLQPEQIEEQZ-WDEREUQCSA-N 305.353 3.489 0 40 DGAB CCC(=O)N1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 65610104 GBIWKXPYWQZWNR-HNNXBMFYSA-N 305.418 3.428 0 40 DGAB C[C@@H](c1ccccc1)N(CC1CC1)C(=O)NCCn1ccnc1 65620564 WIVXZUIVCCTHQG-HNNXBMFYSA-N 312.417 3.066 0 40 DGAB Cc1ccc(CN(C)c2ccc3nnc(C(F)(F)F)n3n2)cc1 14142189 MVXLRZVMKHSXFC-UHFFFAOYSA-N 321.306 3.088 0 40 DGAB COc1ccc(CCNC(=O)COc2cccc(C)c2C)cc1 4827964 IIGUEXOPFCOHQA-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CS(=O)(=O)c1ccc(Cl)c(NC(=O)[C@@H]2CC=CCC2)c1 15665967 UTAAVDPKWCJQCO-SNVBAGLBSA-N 313.806 3.038 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2Cc2nc3ccccc3nc2C)c1 71878649 HTRHSCZLBWKZRY-INIZCTEOSA-N 321.428 3.108 0 40 DGAB Cn1cnnc1CSCc1ccc(Br)cc1F 91027157 RUMIMJSBPWCQBV-UHFFFAOYSA-N 316.199 3.150 0 40 DGAB Cc1cc(C)n(C[C@H]2CCCCN2C(=O)C[C@H]2C=CCC2)n1 71865464 UKYPKUGMYGDHJJ-DLBZAZTESA-N 301.434 3.237 0 40 DGAB Cc1cc(CN2CCC(CN(C)Cc3ccccc3)CC2)on1 69663793 AWBQCGFPWPGIFW-UHFFFAOYSA-N 313.445 3.327 0 40 DGAB Cc1nc([C@@H](NC(=O)c2ccc(C)c(C)c2)c2ccccc2)n[nH]1 69740281 PZIMXUYPQKLQQJ-KRWDZBQOSA-N 320.396 3.249 0 40 DGAB Cc1nc(CNC(=O)N[C@H]2CCCc3sccc32)cs1 95944849 HYUIBQZMXOWWJK-LBPRGKRZSA-N 307.444 3.390 0 40 DGAB COc1ccc2oc(CNc3cccc(C(N)=O)c3C)cc2c1 95978116 LBKCUAMQXUTMON-UHFFFAOYSA-N 310.353 3.461 0 40 DGAB Cc1cc([C@@H]2CCCN(CCc3ccc4c(c3)CCO4)C2)n[nH]1 84111228 NJONDGNPGHMRIP-QGZVFWFLSA-N 311.429 3.075 0 40 DGAB Cc1ccc(C)c(OCCn2cnc3ccsc3c2=O)c1 8939552 CTMHWWUXFKKPTA-UHFFFAOYSA-N 300.383 3.154 0 40 DGAB CCc1cnc(CN(C)C(=O)N[C@@H](C)c2nc(C)cs2)s1 75092114 BORYAQXMVFBEEY-JTQLQIEISA-N 324.475 3.373 0 40 DGAB Cc1ccc(C)c([C@H]2CCCN2C(=O)c2c[nH]c(C)cc2=O)c1 89616456 FYXJIOUCYZVCKX-QGZVFWFLSA-N 310.397 3.277 0 40 DGAB Cc1nnc(SCc2nnc(-c3ccccc3Cl)o2)o1 20034107 YLPIHOOMZYRKIJ-UHFFFAOYSA-N 308.750 3.374 0 40 DGAB O=C(Nc1ccc(CSc2ncn[nH]2)cc1)c1cccs1 20611331 PCQCDFDUVZISEI-UHFFFAOYSA-N 316.411 3.411 0 40 DGAB CO[C@@H](CNC(=O)c1cnc2ccccc2c1)c1cccs1 67947919 ZYGBRQWROAUPTR-HNNXBMFYSA-N 312.394 3.414 0 40 DGAB C1CCN(C[C@H]2CCCN2Cc2nc(C3CCCC3)no2)CC1 152313828 SUFHPCGIFRQBHU-MRXNPFEDSA-N 318.465 3.178 0 40 DGAB CC(=O)NCCn1ccnc1-c1cccc(OC2CCCC2)c1 71765487 DXNZUUGNNXOYJV-UHFFFAOYSA-N 313.401 3.008 0 40 DGAB CC1=C(C)C[C@@H]2C(=O)N(CCOc3ccccc3C)C(=O)[C@H]2C1 33553144 UYWREAZGQLMMCC-HOTGVXAUSA-N 313.397 3.105 0 40 DGAB N[C@H](Cc1ccc2ccccc2c1)C(=O)OCc1ccccc1 34309984 SAWFXWAKCJGRSQ-LJQANCHMSA-N 305.377 3.453 0 40 DGAB CCc1nc(CNC(=O)C(c2ccccc2)c2ccccc2)no1 33746370 AHEKTXPINVXRSJ-UHFFFAOYSA-N 321.380 3.080 0 40 DGAB CC(C)c1ccc(OCc2nnc(N)o2)c(Br)c1 216908713 JIFCSVSPPWHPPX-UHFFFAOYSA-N 312.167 3.117 0 40 DGAB CC1(C)[C@@H](O)CC[C@@]2(C)[C@@H]3CC[C@](C)([C@H](O)CO)C=C3CC[C@H]12 36375258 NCAZLDCEJHFJDT-UQZPWQSVSA-N 322.489 3.280 0 40 DGAB biogenic,in-vitro Cn1cc(C(=O)Nc2cccc3[nH]ccc23)c2ccccc2c1=O 72400863 KYYYHASLWRRJDP-UHFFFAOYSA-N 317.348 3.272 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccnc(Cc3ccccc3)c2)C1 72360603 JFIXALGIEOAAHN-IBGZPJMESA-N 308.425 3.473 0 40 DGAB Cc1cc(SCC(=O)O)nc(COc2ccc(Cl)cc2)n1 49468941 QZDYLHZKUCWTCN-UHFFFAOYSA-N 324.789 3.194 0 40 DGAB COc1cccc(OCC(=O)N[C@@H](C)c2ccc(F)cc2)c1 44508894 XIJLWBOLUGFGJX-LBPRGKRZSA-N 303.333 3.091 0 40 DGAB CCOC(=O)c1nn(-c2ccccc2)c(Br)c1C 225808332 MEDLOCGNLWCUKQ-UHFFFAOYSA-N 309.163 3.120 0 40 DGAB CCCC[C@@](C)(OC)C(=O)Nc1ccc(OCCOC)cc1 225619608 NREHVUUEPUOMBI-QGZVFWFLSA-N 309.406 3.246 0 40 DGAB C[C@@H](CCO)N[C@@H](c1ccc(Br)cc1)c1ccco1 195555502 UVMHJIRRBIVGGA-NHYWBVRUSA-N 324.218 3.492 0 40 DGAB Cc1cccc([C@@H]2CCN(C(=O)[C@H](CN)c3ccccc3)C2)c1 1579756896 NLUNYPMVWUNNBA-RTBURBONSA-N 308.425 3.053 0 40 DGAB COCc1nc(CSc2nc(-c3ccccc3)co2)no1 195110930 OCYHRDUEYGHRAX-UHFFFAOYSA-N 303.343 3.163 0 40 DGAB COc1cc(Cl)ccc1S(=O)(=O)NC1CCCCCC1 41095405 RZALEILOICRCOV-UHFFFAOYSA-N 317.838 3.350 0 40 DGAB CN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(Cl)cc1 224712367 WPWSTQCOWNLFDR-UHFFFAOYSA-N 317.744 3.443 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)N[C@@H](C)CC 225554644 SAYRELXAPYOMMJ-RDJZCZTQSA-N 318.461 3.427 0 40 DGAB CC(C)(C)OC(=O)CCC(=O)Nc1ccccc1N1CCCC1 192259101 FWRNOJQBCOLSDJ-UHFFFAOYSA-N 318.417 3.347 0 40 DGAB Cc1ccc(CCC(=O)NCCOc2ccc(F)cc2)cc1 224038782 JOTGGHBQXSJPDV-UHFFFAOYSA-N 301.361 3.262 0 40 DGAB Cc1cc(C)c(-c2nc(N(C)C)sc2CC(=O)O)c(C)c1 95097126 QGBBNRKJXZUGKB-UHFFFAOYSA-N 304.415 3.428 0 40 DGAB Cc1cccc(CCCNC(=O)c2ccc3c(c2)OCCO3)c1 96726971 VVFVSVZDQCLEIV-UHFFFAOYSA-N 311.381 3.129 0 40 DGAB C[C@@H](NC[C@@H]1CCCOC1)c1ccc(NC(=O)C2CC2)cc1 96490994 CZNAUZLKYAURTG-KGLIPLIRSA-N 302.418 3.112 0 40 DGAB O=C(O)CCCc1nc2cc(Cl)ccc2n1C[C@@H]1CCCO1 95095663 LEJYCLBVMGSKAZ-LBPRGKRZSA-N 322.792 3.276 0 40 DGAB CS[C@@H](CO)[C@H](C)Nc1nc(C(F)F)nc2ccccc12 96417322 SAJPSYLGDMNXIS-KWQFWETISA-N 313.373 3.092 0 40 DGAB Cc1cnc(C2(C)CCN(C(=O)CC3CCOCC3)CC2)s1 257253362 JYOXLXDMHPMAHL-UHFFFAOYSA-N 322.474 3.148 0 40 DGAB Cn1nc(-c2cccc(F)c2)c2c(C(F)(F)F)cc(O)nc21 257197737 HYQFZFPNJAYMJF-UHFFFAOYSA-N 311.238 3.499 0 40 DGAB O=C(Nc1ccccc1)Nc1cnn(C[C@H]2CCCCO2)c1 390828519 ROPASKZKEZALBO-OAHLLOKOSA-N 300.362 3.096 0 40 DGAB O=c1cc(CN(CC2CCCCC2)C2CC2)nc2sccn12 59409138 QAFCXWUXWDJDGP-UHFFFAOYSA-N 317.458 3.301 0 40 DGAB O=C(NCc1ccc(F)cc1C(F)(F)F)c1cscn1 78482435 FNAARIRBPIXLCH-UHFFFAOYSA-N 304.268 3.231 0 40 DGAB CC(C)c1ccc([C@H]2CCCCN2C[C@@](C)(O)C(=O)O)cc1 566361673 LCTIYAYCVPSPOR-SJLPKXTDSA-N 305.418 3.173 0 40 DGAB CCc1cc(N)cc(Br)c1N1C[C@H](C)O[C@@H](C)C1 226315859 DLZSWQGSMDZELU-UWVGGRQHSA-N 313.239 3.207 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 12802922 YRSCGTUURXPCNA-PBHICJAKSA-N 322.408 3.254 0 40 DGAB Cc1cc(C(=O)Nc2ccc3c(c2)CCC3)c2c(C)nn(C)c2n1 14814585 UBZJWHDVQZDFOM-UHFFFAOYSA-N 320.396 3.326 0 40 DGAB Cc1cccc(NC(=O)NCCc2ccc3c(c2)OCCO3)c1 18177716 OEMAZNUJOHZFAC-UHFFFAOYSA-N 312.369 3.130 0 40 DGAB Cc1ccc(OCCN(C)C(=O)c2cnc3ccccc3n2)cc1 16966596 GYCGYJKGGZSOKQ-UHFFFAOYSA-N 321.380 3.089 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2ccccc2Cn2cccn2)o1 24716468 WEPCUCIOPWRWOO-MDZDMXLPSA-N 321.380 3.162 0 40 DGAB CN(C(=O)C(C)(C)C)[C@H]1CCCN(c2ccncc2Cl)C1 2087130933 PFMHCEPVEHVKLH-LBPRGKRZSA-N 309.841 3.208 0 40 DGAB O=C1N(c2cccc(Cl)c2)[C@H](c2cccnc2)N2CCCN12 4622992 PPNPSDICQWFWKR-OAHLLOKOSA-N 314.776 3.297 0 40 DGAB COCCn1cc(NC(=O)Nc2cccnc2)c2ccccc21 5266557 SURRCIRAJGUGGA-UHFFFAOYSA-N 310.357 3.327 0 40 DGAB Cc1ccc(CC(=O)Nc2nnc(Cc3cccs3)o2)cc1 13653594 GJCKCQCBVIVEMU-UHFFFAOYSA-N 313.382 3.212 0 40 DGAB CC(C)N(CCSc1ccc(NC(=O)C2CC2)nn1)C(C)C 13702018 WAGKXPFJCLLXJF-UHFFFAOYSA-N 322.478 3.036 0 40 DGAB O=C(NC[C@](O)(c1ccccc1)C1CC1)c1ccc(Cl)s1 70966221 RJTWRDLZYHJMOR-INIZCTEOSA-N 321.829 3.429 0 40 DGAB COC(=O)c1ccc(N2CCCC2)c(NC(=O)C2CCCC2)c1 40039658 PNEAFHKGIWRJQW-UHFFFAOYSA-N 316.401 3.202 0 40 DGAB O=C(/C=C/c1cscn1)Nc1ccc(Oc2ncccn2)cc1 50334183 RRXULOKWPMAYFS-QPJJXVBHSA-N 324.365 3.377 0 40 DGAB Cc1ccc(NC(=O)[C@H](c2ccccc2)N2CCOCC2)c(C)c1 20310949 TZGOZVNFPCKQAT-IBGZPJMESA-N 324.424 3.315 0 40 DGAB CCOc1ccccc1NC(=O)C1SCSCS1 114491 HKEWSUJLVPJTEY-UHFFFAOYSA-N 301.458 3.478 0 40 DGAB CCOCCCNC(=O)c1ccccc1Oc1cccnc1 52026000 RHYMXVOOALERSI-UHFFFAOYSA-N 300.358 3.030 0 40 DGAB O=S(=O)(c1cccc(Cl)c1)N(Cc1ccco1)C1CC1 32760472 PTYLZLDHQFZAPK-UHFFFAOYSA-N 311.790 3.286 0 40 DGAB CONC(=O)c1ccc(-c2cccc(Br)c2)nc1C 23041197 YOUUSUZYZFZXBV-UHFFFAOYSA-N 321.174 3.111 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2cc(Cl)ccc2C)C1 33881809 XQZXQXXNAYFITQ-LBPRGKRZSA-N 324.808 3.455 0 40 DGAB CC(=O)Nc1ccc(NC(=O)COc2ccc(C)cc2)cc1C 411395 WVPRHHBWXNHAFI-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB CCn1cc(C(=O)O)c(=O)c2cc(Cl)c(-n3cccc3)cc21 1611460 VMNKPIYODBMFKK-UHFFFAOYSA-N 316.744 3.164 0 40 DGAB CC[C@H](C)Oc1ccc(NS(=O)(=O)c2ccc(N)cc2)cc1 1683957 AWEOCLXNZWABBJ-LBPRGKRZSA-N 320.414 3.247 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1cccc(C)c1 1918983 MJTNDZXYMULORQ-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2ccccc2F)cc1 1943700 FMAFLQHJMWPXTK-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB Cc1cc(C)cc(OC(=O)[C@]23CC[C@](C)(C(=O)O2)C3(C)C)c1 2882055 RVBTZBDMGBJGEF-MSOLQXFVSA-N 302.370 3.331 0 40 DGAB Cc1ccccc1NC(=O)CSc1nc(C)c(C)c(C)n1 3185853 UQQJKWDZNGRYGJ-UHFFFAOYSA-N 301.415 3.441 0 40 DGAB Cc1cc(C)c(OCC(=O)OCCN2CCCCC2)c(C)c1 3352320 YEURZUSHNIJGHW-UHFFFAOYSA-N 305.418 3.020 0 40 DGAB COc1cc(C(=O)Nc2cccc(O)c2)cc(Cl)c1OC 4723972 ZTIRVBKYJCQCEZ-UHFFFAOYSA-N 307.733 3.315 0 40 DGAB Cc1ccc(C)c2sc(N3CCN(C(=O)C(C)C)CC3)nc12 5182479 UYXOXDLYTCTMJR-UHFFFAOYSA-N 317.458 3.218 0 40 DGAB O=C(NCc1ccccn1)c1c2c(nc3ccccc13)CCC2 5350546 VJYMUJCTQMPAFK-UHFFFAOYSA-N 303.365 3.049 0 40 DGAB CCN(Cc1ccccc1)C(=O)COc1ncnc2ccccc12 5506032 FADPUPGPVNMEJD-UHFFFAOYSA-N 321.380 3.057 0 40 DGAB COC(=O)c1ccccc1[C@H]1CN=N[C@]12Cc1ccccc1C2=O 5538024 IKXTZOYHFSRVEB-VQIMIIECSA-N 320.348 3.200 0 40 DGAB CCC(=O)NCc1nc2ccccc2n1Cc1ccc(C)cc1 5545715 JUJHUYXQRIUPCV-UHFFFAOYSA-N 307.397 3.419 0 40 DGAB O=c1[nH]n(-c2ccccc2)c2c(c1=O)CC/C2=C\c1ccccc1 6694624 YMPLNNSNTBVOGT-FYWRMAATSA-N 316.360 3.013 0 40 DGAB CCCNC(=O)[C@@H](C)Sc1nccn1-c1cccc(C)c1C 7179608 WDUCINXUCUDDCW-CQSZACIVSA-N 317.458 3.496 0 40 DGAB CCCC(=O)Nc1ccc(C(=O)CSc2nncs2)cc1 7293873 VGRVEQNPVQDWFB-UHFFFAOYSA-N 321.427 3.252 0 40 DGAB C[C@H](Nc1ccc(N2CCCCC2)cc1)C(=O)NC(C)(C)C 8746440 PRMYDDABRWONAV-AWEZNQCLSA-N 303.450 3.392 0 40 DGAB O=C(Cn1nnc(-c2ccc(Cl)cc2)n1)c1ccccc1F 11531824 RKLFOBFQYGNEEJ-UHFFFAOYSA-N 316.723 3.016 0 40 DGAB Cn1cnc2c(oc3nc(-c4ccccc4)c4c(c32)CCC4)c1=O 12324160 PHKJLQCGZYCRBV-UHFFFAOYSA-N 317.348 3.230 0 40 DGAB O=C(CCc1ccc2c(c1)OCO2)N1CCC[C@@H]1c1ccncc1 12538764 MDSUNRMGBYORJM-MRXNPFEDSA-N 324.380 3.107 0 40 DGAB CC[C@@H]1CO[C@@H](C)CN1CC(=O)Nc1cccc2ccccc12 12950880 QATSPGWNXJVEJA-GOEBONIOSA-N 312.413 3.278 0 40 DGAB O=C(CCNC(=O)c1cccs1)Nc1ccccc1Cl 12975506 TXEXTCQLWQCVFV-UHFFFAOYSA-N 308.790 3.160 0 40 DGAB COc1ccc(C(=O)NCc2cccc(C(F)(F)F)c2)cn1 16204982 VUNFCAUVNVWZIR-UHFFFAOYSA-N 310.275 3.039 0 40 DGAB Cc1ccc(C(=O)[C@H](C)Sc2nnnn2C(C)(C)C)cc1 16290657 CVSMYEHRAJQPHU-NSHDSACASA-N 304.419 3.100 0 40 DGAB O=c1c2cc(Cl)ccc2ncn1Cc1cccc(F)c1F 16671400 DKBGXVGQUUFMDB-UHFFFAOYSA-N 306.699 3.376 0 40 DGAB CCCn1ncc(C(=O)N[C@H](C)c2ccc(OC)c(F)c2)c1C 19525886 OJFFBRKWRVTEBT-LLVKDONJSA-N 319.380 3.240 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)Nc1nc(C)c(C)s1 20296772 AMMQOFDQYBZMOU-JTQLQIEISA-N 305.403 3.208 0 40 DGAB CC(C)[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 21871831 OLKBMUIVWBXGFT-GDBMZVCRSA-N 324.424 3.353 0 40 DGAB Nc1cccc(NC(=O)COc2ccc(Br)cc2)c1 22174502 CYJSWWPJMXHMPA-UHFFFAOYSA-N 321.174 3.049 0 40 DGAB CN(CC(=O)Nc1cccc(F)c1)C(=O)CC1CCCCC1 23074622 XEBSMWRGSINJMQ-UHFFFAOYSA-N 306.381 3.193 0 40 DGAB CCOCc1cc(C(=O)NCc2ccc(F)cc2)ccc1OC 24751881 JSFRRYAHGSWQFB-UHFFFAOYSA-N 317.360 3.301 0 40 DGAB O=C(NC[C@H]1CCCO1)c1cc2cc(Br)ccc2o1 28576132 FAWGNGHZAAVCHQ-LLVKDONJSA-N 324.174 3.104 0 40 DGAB COc1ccc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cc1 28577794 IVGKLLGKQGBLDY-UHFFFAOYSA-N 319.426 3.099 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CCC[C@@H]1c1cccs1 29797142 SOXFLYVMSWXKCF-GFCCVEGCSA-N 317.439 3.364 0 40 DGAB O=C(Nc1cccc(-c2ccn[nH]2)c1)c1ccc2[nH]cnc2c1 29799353 DMARRCHJZRRBSG-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB COc1cccc(SCC(=O)c2ccc3c(c2)OCO3)c1 31817376 AMKWOQZIJGMUAL-UHFFFAOYSA-N 302.351 3.399 0 40 DGAB CCOC(=O)c1ccc(C(=O)N[C@@H](C)c2ccccc2)nc1C 32809579 QLLVTSHYCMXDOI-LBPRGKRZSA-N 312.369 3.058 0 40 DGAB Cc1cc(C)n(-c2ccc(NC(=O)/C=C/c3ccco3)cn2)n1 33176076 DNSDSCLKJYJWSI-SOFGYWHQSA-N 308.341 3.129 0 40 DGAB O=C1C[C@H](Nc2ccccc2F)C(=O)N1c1ccccc1Cl 36635777 USEQOVSEHLHPLP-ZDUSSCGKSA-N 318.735 3.223 0 40 DGAB CC(=O)Cn1cnc2scc(-c3ccccc3Cl)c2c1=O 36646069 MXUVWZNDNBSIIR-UHFFFAOYSA-N 318.785 3.367 0 40 DGAB S=C1SCCN1CN(C1CC1)[C@H]1CCc2ccccc21 40155478 LQPWLVMQVLKSRL-HNNXBMFYSA-N 304.484 3.430 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)CCc2nc(C(C)(C)C)no2)o1 40519981 FGPSNPOEPCAXQQ-LLVKDONJSA-N 305.378 3.079 0 40 DGAB Cn1ccnc1COc1ccc(NC(=O)[C@H]2CC=CCC2)cc1 42708170 QOTLMNXMVCDXTF-AWEZNQCLSA-N 311.385 3.294 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)Nc2cc(F)cc(F)c2)cc1 43880573 HIKFYKFGPGLMSZ-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB Cc1nc(-c2nn3c(-c4sccc4C)nnc3s2)co1 44889756 SGHRZWQNLKMWBC-UHFFFAOYSA-N 303.372 3.186 0 40 DGAB COc1ccc(C(N)=O)c(OCc2cc(Cl)ccc2OC)c1 48272642 OBOMPDLMQAGSLV-UHFFFAOYSA-N 321.760 3.035 0 40 DGAB C[C@H](NC(=O)N[C@H](C)Cn1ccnc1)c1ccc(Cl)s1 49153317 VGBRKNKNFFQFML-ZJUUUORDSA-N 312.826 3.047 0 40 DGAB O=C(O)/C(=C/c1ccccc1O)Sc1nc2ccccc2[nH]1 50547769 WFVDBHKYVWSBPY-ZROIWOOFSA-N 312.350 3.486 0 40 DGAB Cc1ccc(C[C@@H]2CCCN(C(=O)[C@@H](C)n3ccnc3)C2)cc1 50767578 YLHDYOYXCVSYQE-AEFFLSMTSA-N 311.429 3.234 0 40 DGAB CCN1CCC[C@@H](CN(C)c2nc(C)nc3sccc23)C1 55272002 SDPPZRFAPIKPRR-ZDUSSCGKSA-N 304.463 3.168 0 40 DGAB C[C@H](S[C@H]1CCCc2ccccc21)C(=O)N1CCOCC1 58169189 BTAWAEHNBFWQON-BBRMVZONSA-N 305.443 3.045 0 40 DGAB CCn1cc(NC(=O)N2CCC[C@@H]2Cc2ccc(F)cc2)cn1 58423662 PSPMJUIDVFQDLL-MRXNPFEDSA-N 316.380 3.281 0 40 DGAB COc1ccc(CC[C@H](C)NC(=O)c2n[nH]c3ccccc23)cc1 60157349 NMUCIFPXRXRCFX-ZDUSSCGKSA-N 323.396 3.323 0 40 DGAB CC1CCN(CCCNC(=O)Cc2ccccc2Cl)CC1 61553603 OFJXPROUUWUONY-UHFFFAOYSA-N 308.853 3.121 0 40 DGAB C[C@@H](CCc1ccc(I)cc1)CC(=O)O 61829293 WBZDAODJVGVYLV-VIFPVBQESA-N 318.154 3.335 0 40 DGAB c1cnc(NCC2(c3ccc4c(c3)OCCO4)CCCC2)nc1 65515430 FFQYKIBJYJYNHU-UHFFFAOYSA-N 311.385 3.172 0 40 DGAB O=C(NCC(F)(F)F)[C@@H]1C[C@H]1c1ccccc1Br 65606282 CFWPFAGYMZRSRF-DTWKUNHWSA-N 322.124 3.231 0 40 DGAB CCOC(=O)c1nc(-c2ccc(Cl)cc2)nc(N)c1Cl 66351895 PXCZEJRHVNHLHI-UHFFFAOYSA-N 312.156 3.209 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCO[C@H](c2ccc(F)c(F)c2)C1 66707361 MSTFUKJETWXEBD-LRDDRELGSA-N 307.340 3.221 0 40 DGAB Cc1cc(C)n(C(=O)Cc2nnc(-c3cccc(Cl)c3)o2)n1 67172662 ZIZTZDRVNFWZKM-UHFFFAOYSA-N 316.748 3.086 0 40 DGAB CCCC[C@H](Sc1nnc(C2CC2)n1C1CC1)C(=O)OC 67231446 WKESGSCPBLNIBV-LBPRGKRZSA-N 309.435 3.314 0 40 DGAB C[C@@H](NC(=O)COCC(F)(F)F)C(C)(C)c1ccccc1 69622095 NYPOFIKRBBPMIF-LLVKDONJSA-N 303.324 3.048 0 40 DGAB Cc1c(NC(=O)NCc2cccnc2)cccc1OC(F)F 69807668 CTFIKOBHXHSBCQ-UHFFFAOYSA-N 307.300 3.313 0 40 DGAB Nn1c(SCc2ccccc2)nc2cc(Cl)ccc2c1=O 71327745 XAVOAQZQBTYGEA-UHFFFAOYSA-N 317.801 3.056 0 40 DGAB O=C(c1cc2ccccc2c(=O)[nH]1)N1CCC[C@@H]1C1CCCC1 71821430 GSKXMJUHPYPNTM-QGZVFWFLSA-N 310.397 3.323 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1CCc1ccncc1 72267588 JEPHMHHIRNXBOD-CQSZACIVSA-N 304.825 3.157 0 40 DGAB Cc1cccc2cc3c(nc12)OCC(=O)N(Cc1ccco1)C3 72341556 RFAGYIBXGUBYJU-UHFFFAOYSA-N 308.337 3.057 0 40 DGAB CCCN1CCN[C@@H](Cc2ccc(-c3ccccc3)cc2)C1=O 72352836 FJIQNSGLSFQUBT-IBGZPJMESA-N 308.425 3.107 0 40 DGAB COCc1ccccc1NC(=O)N[C@H]1C[C@@](C)(OC)C1(C)C 74941788 OWCOBCLONULGJP-WMLDXEAASA-N 306.406 3.158 0 40 DGAB C[C@H](NC(=O)CC[C@@H]1CCCO1)c1ccc(-n2cccn2)cc1 75347574 KBHCMXBYTXMZHU-YOEHRIQHSA-N 313.401 3.009 0 40 DGAB O=C(CCSc1ccccc1)NCC[C@@H](O)c1cccs1 77113860 DYPRYOKKPMMJTD-CQSZACIVSA-N 321.467 3.470 0 40 DGAB Cc1cc(-c2csc(NC(=O)[C@@H](C)n3cccn3)n2)c(C)o1 79852527 CEGLHXKOBVNEKP-SNVBAGLBSA-N 316.386 3.416 0 40 DGAB O=C(Nc1ccncc1)[C@@H]1CCCCN1Cc1ccc(F)cc1 80498727 DHLXDRKHXHFFQP-KRWDZBQOSA-N 313.376 3.214 0 40 DGAB C[S@@](=O)c1ccc(CN[C@@H]2CCCOc3ccccc32)cc1 85308324 BXEZDRILBBZWEV-VGSWGCGISA-N 315.438 3.428 0 40 DGAB O=C(N[C@H]1C[C@@H]1C1CCCCC1)c1ccccc1Cn1cncn1 89814052 VKCPQXFHRDZJQD-MSOLQXFVSA-N 324.428 3.025 0 40 DGAB CCCOc1cccc(NC(=O)N2CCOC[C@H]2C2CC2)c1 89857149 MISHNUUOKXQRPH-INIZCTEOSA-N 304.390 3.118 0 40 DGAB CC(C)(CCS(C)(=O)=O)CNc1ccnc2ccsc12 95403261 YGMQWHIFPBLZKX-UHFFFAOYSA-N 312.460 3.169 0 40 DGAB COc1ccc2cc(C(=O)NCc3ccc([C@H](C)O)cc3)[nH]c2c1 95955096 HJTOIODTOSDUTK-LBPRGKRZSA-N 324.380 3.160 0 40 DGAB Cc1nc([C@H]2CCCCCN2C(=O)Cc2ccccc2F)no1 96001192 LCWQYACLJUMKSN-OAHLLOKOSA-N 317.364 3.204 0 40 DGAB CCOC[C@H]1CN(Cc2ccco2)Cc2cn(CC3CC3)nc21 96059955 AGXYBSNCXWBDIB-MRXNPFEDSA-N 315.417 3.022 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)Nc1cccs1)OC 96385301 WBKHJVGXGMEDOK-CYBMUJFWSA-N 306.387 3.266 0 40 DGAB CS[C@H]1CCC[C@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 96409420 PDOHTOVPFVAZRC-AAEUAGOBSA-N 324.421 3.188 0 40 DGAB OC[C@H](CN[C@H]1CCCc2cc(F)ccc21)Cc1ccccn1 97033382 MOTLNXHLNAOIFQ-LIRRHRJNSA-N 314.404 3.039 0 40 DGAB O=C(CCSCc1ccccn1)Nc1ccc(O)cc1F 97098007 WPRBJRBAIJRMDY-UHFFFAOYSA-N 306.362 3.188 0 40 DGAB CC[C@H](NCc1cccc(C(=O)N(C)C)c1)c1c(C)noc1C 97111161 NCHCZQWPFCHKKU-INIZCTEOSA-N 315.417 3.234 0 40 DGAB Cc1ccc(C(C)(C)C)cc1S[C@@H]1CC(=O)[C@H]2OC[C@H]1O2 103003115 MKGHGRHUWHPWPR-BMFZPTHFSA-N 306.427 3.468 0 40 DGAB O=C1O/C(=C(\C(=O)O)c2ccccc2)C(O)=C1c1ccccc1 104145886 CMFBGFRHPQTELQ-PEZBUJJGSA-N 308.289 3.008 0 40 DGAB C[C@H](NC(=O)C[C@H]1C(=O)Nc2ccccc21)[C@@H]1C[C@H]2CC[C@H]1C2 108070911 UTWULLHXGLSMGK-YOPIWALVSA-N 312.413 3.053 0 40 DGAB CO[C@@H](CNc1ncnc2ncccc12)c1ccccc1Cl 119818685 XQVJQMDGIQBYAK-AWEZNQCLSA-N 314.776 3.478 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)c2cccc(F)c2)cc1 150748759 LFXMVYKGXLNZDT-UHFFFAOYSA-N 309.362 3.050 0 40 DGAB CO[C@H](CNC(=O)c1cc(C2CC2)on1)c1ccccc1Cl 206851354 JYBSRGJQPJNPFT-OAHLLOKOSA-N 320.776 3.323 0 40 DGAB C[C@H](O)c1onc(-c2ccccc2)c1C(=O)N1CCCCCC1 225439236 HPLZINPAKWQKFL-ZDUSSCGKSA-N 314.385 3.411 0 40 DGAB biogenic,in-vitro O=C(c1ccc(F)cc1)N1CC[C@H](N2CCc3ccccc3C2)C1 238960349 YKBNWJRSPMWVCU-IBGZPJMESA-N 324.399 3.099 0 40 DGAB Cc1ccsc1C(=O)N1CCC[C@H]1c1ccnc(N(C)C)c1 257211189 BXVILEOHUSFCOE-AWEZNQCLSA-N 315.442 3.495 0 40 DGAB Cc1csc(Nc2cc([C@H]3CCN(C(C)C)C3)nc(C)n2)n1 257324811 WQGYILAFOXRWSV-ZDUSSCGKSA-N 317.462 3.491 0 40 DGAB CCCn1cc(I)c(CO[C@H](C)CC)n1 408717366 YXUCSTDXKDVBLA-SECBINFHSA-N 322.190 3.213 0 40 DGAB COc1ccc(-c2c(O)nnc3c(-c4ccccc4)cnn23)cc1 409417377 FOAGEALJQAHQJZ-UHFFFAOYSA-N 318.336 3.173 0 40 DGAB Cn1ncc(C(=O)N[C@H]2CCCc3c(F)cccc32)c1C(F)F 519805463 PJVKWILZLHPEBV-ZDUSSCGKSA-N 323.318 3.304 0 40 DGAB Cc1nccn1-c1cncc(-c2cccc(OCCN(C)C)c2)c1 521398330 OQNWCUDDVHCUDS-UHFFFAOYSA-N 322.412 3.183 0 40 DGAB O=S1(=O)CCC(Nc2ccc(CCC(F)(F)F)cc2)CC1 583651559 OZVMBJLRICSWPH-UHFFFAOYSA-N 321.364 3.171 0 40 DGAB Cc1ccc(S[C@H](C(=O)N2CCCC[C@H]2C)C(C)C)nn1 585118568 UMZLCLUWFPDEDG-HIFRSBDPSA-N 307.463 3.303 0 40 DGAB O=C(c1ccc(Br)s1)N1CCC[C@H](CF)C1 711451650 KRFNVIBHTFYZDV-MRVPVSSYSA-N 306.200 3.332 0 40 DGAB O=C(NC[C@@]1(O)CSCc2ccccc21)Nc1cccs1 2087141425 PIRYASWICMYPDH-OAHLLOKOSA-N 320.439 3.004 0 40 DGAB Cc1ncn(-c2cc(OC(F)(F)F)ccc2Br)n1 2362803687 XNTJEILHHDJKMV-UHFFFAOYSA-N 322.084 3.237 0 40 DGAB Cc1cc(C)cc(C(=O)N2CCN(c3ccc(F)cc3)CC2)c1 496743 MJDAWPYQZITJMT-UHFFFAOYSA-N 312.388 3.405 0 40 DGAB CC[C@]1(C)Cc2c(sc3nc(SC)n4cnnc4c23)CO1 507227 CAYGOIQKZYDTFV-CQSZACIVSA-N 320.443 3.302 0 40 DGAB COc1ccc([C@H](O)[P@@](=O)(O)CCc2ccccc2)cc1 550382 DPXGQGCYSAUEKH-MRXNPFEDSA-N 306.298 3.199 0 40 DGAB CCOc1cccc(-c2cc(=O)c3cc4c(cc3[nH]2)OCO4)c1 1636759 ONUOKWPZQYINMT-UHFFFAOYSA-N 309.321 3.323 0 40 DGAB CCOC(=O)CCc1c(C(=O)OCC)[nH]c2ccc(Cl)cc12 1732270 WNSWHEQRHLARJX-UHFFFAOYSA-N 323.776 3.494 0 40 DGAB CCOC(=O)CCCCCC(=O)c1ccc(OC)c(OC)c1 2580438 CGMPDMJZKOMAJX-UHFFFAOYSA-N 308.374 3.400 0 40 DGAB Cc1cc(C)n2nc(C(=O)Nc3ccccc3C(C)C)nc2n1 2629453 IRRSUBVQOBQXBI-UHFFFAOYSA-N 309.373 3.117 0 40 DGAB CCOP(=O)(COCP(=O)(OCC)OCC)OCC 3159216 GYZSXGFOIMANOA-UHFFFAOYSA-N 318.243 3.450 0 40 DGAB CCc1ccc(NC(=O)COc2ncnc3ccccc23)cc1 3277528 MSTBFYJMZGUUIY-UHFFFAOYSA-N 307.353 3.210 0 40 DGAB O=C(NC(=S)Nc1nc2c(s1)CCCC2)C1CCCCC1 3281436 OQOCYAHJMCHNKG-UHFFFAOYSA-N 323.487 3.415 0 40 DGAB CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 3357202 LWLPORXSTYOEKY-OYWVLEMYSA-N 315.413 3.157 0 40 DGAB CC(NC(=O)Nc1ccc(O)cc1)(C(F)(F)F)C(F)(F)F 4328576 CQHCKCAUPXMJRY-UHFFFAOYSA-N 316.201 3.397 0 40 DGAB COc1cccc2cc(C(=O)NC(C)(C)C(C)(C)C)c(=O)oc12 4745111 OEBJZDNMZRPBJF-UHFFFAOYSA-N 317.385 3.356 0 40 DGAB biogenic COc1cccc(-c2ccc(=O)n(Cc3ccccc3C)n2)c1 5400238 YBZTYZRIFMDXJO-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB CCCCOC(=O)COC(=O)c1cc(Cl)ccc1Cl 5712823 USJPCHSZTIYHRV-UHFFFAOYSA-N 305.157 3.494 0 40 DGAB COc1ccc(OC[C@@H](O)CN2CCCCC2)c(C(C)(C)C)c1 6306051 ZZTSUGQTZLFYFX-HNNXBMFYSA-N 321.461 3.218 0 40 DGAB CCN(CC)CCCNC(=O)c1cccc(C(F)(F)F)c1 6555538 DYMCYNIXHCQPPL-UHFFFAOYSA-N 302.340 3.167 0 40 DGAB CCOC(=O)c1c(-c2ccccc2F)cn2c1SCC2=O 6584987 XPBQIWNUXRTBKX-UHFFFAOYSA-N 305.330 3.217 0 40 DGAB CCCCOC(=O)CN1C(=O)S/C(=C/c2ccccc2)C1=O 6650466 OLMMSRGHOJXSHS-JLHYYAGUSA-N 319.382 3.066 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)/C=C/c2cccs2)cc1 6851998 ODDQIQMTYRWUDI-MDZDMXLPSA-N 300.383 3.102 0 40 DGAB Cc1cccc(NC(=O)COc2ccc(C(=O)O)cc2Cl)c1 7604137 YUPSDIDJYBAVPQ-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1cc(NC(=O)Cc2c(C)noc2C)c(OC)cc1Cl 7987916 GLGCGOYNAXOBRS-UHFFFAOYSA-N 324.764 3.143 0 40 DGAB COCCNCc1ccc(OCc2ccc(C)cc2)c(OC)c1 8550138 XXGCFLGWRUMTDB-UHFFFAOYSA-N 315.413 3.319 0 40 DGAB CCCN(CC1CC1)C(=O)c1ccc2c(c1)NC(=O)[C@H](C)S2 9690071 VGVSWTRPZKGHOR-NSHDSACASA-N 318.442 3.382 0 40 DGAB CN(c1ccccc1)S(=O)(=O)Cc1c(F)cccc1Cl 10287443 RUWFNLAGJSGVTP-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB O=S(=O)(N[C@H]1CCCc2occc21)c1ccc2c(c1)CCC2 12972385 NMANMPSBEXNPKF-INIZCTEOSA-N 317.410 3.124 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2nc(O)c3ccc(Cl)cc3n2)C1 13040390 MFGURFUNWWVTSX-PHIMTYICSA-N 305.809 3.467 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)c2cc(F)ccc2F)c1 14022404 RAFKWEIJGOBFJL-UHFFFAOYSA-N 305.280 3.312 0 40 DGAB CC[C@H](C(=O)NCc1nc2ccccc2n1C)c1ccccc1 16694805 QJGQHRWBRGGCJI-HNNXBMFYSA-N 307.397 3.383 0 40 DGAB CCCc1nc2nc(C)c(Cc3cccc(Cl)c3)c(O)n2n1 18223218 VUAFPXNCMIBCBK-UHFFFAOYSA-N 316.792 3.335 0 40 DGAB c1cncc(CN2CC[C@@H](c3nc(-c4cccs4)no3)C2)c1 19338868 ZIMWQOHYIUIIGX-CYBMUJFWSA-N 312.398 3.183 0 40 DGAB Cc1ccc(-n2cnc(C(=O)Nc3cc(F)ccc3F)n2)cc1 19910553 AYSQRWVHPHCERS-UHFFFAOYSA-N 314.295 3.106 0 40 DGAB COc1cccc([C@H]2NCCc3c2[nH]c2ccc(OC)cc32)c1 19957841 QATSAZRBARWIJP-GOSISDBHSA-N 308.381 3.420 0 40 DGAB Cc1cc(NC(=O)CCc2ncc(-c3ccccc3F)o2)no1 21442180 GFVXJCOCUSFPTR-UHFFFAOYSA-N 315.304 3.348 0 40 DGAB Cc1cccc(NC(=O)N(C)C[C@H]2COc3ccccc3O2)c1 24690805 UIAGOYCANFVAPQ-HNNXBMFYSA-N 312.369 3.299 0 40 DGAB C[C@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1 25367251 BGJDDUIKOFJWLH-NSHDSACASA-N 311.353 3.145 0 40 DGAB Cc1cc(C(=O)NCc2ccccn2)c(C)n1Cc1ccco1 25377615 XBEPMZUWNSTZEP-UHFFFAOYSA-N 309.369 3.071 0 40 DGAB CCn1nc(C)cc1NC(=O)Cc1ccc(Br)cc1 28305037 ULYZDRFIKMCDGM-UHFFFAOYSA-N 322.206 3.155 0 40 DGAB COc1cc(CNCc2cc(F)cc(F)c2)cc2c1OCCO2 30630868 OJQHYWFPSDMHLP-UHFFFAOYSA-N 321.323 3.034 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)c1cnc2onc(C)c2c1 30997228 MJPYJCQWBYLOJO-UHFFFAOYSA-N 307.353 3.433 0 40 DGAB Fc1ccc(-c2nn3c(-c4ccncc4)nnc3s2)cc1F 32105820 DHRKWZYBJOMMMT-UHFFFAOYSA-N 315.308 3.193 0 40 DGAB CCn1nc(C)cc1NS(=O)(=O)c1ccc(C(C)C)cc1 32611653 VEYNIXKFUQETBR-UHFFFAOYSA-N 307.419 3.136 0 40 DGAB COc1cccc(OS(=O)(=O)c2ccc(F)cc2Cl)c1 32755120 OJCKWHCJGGUNRW-UHFFFAOYSA-N 316.737 3.255 0 40 DGAB CC(C)(C)C(=O)Oc1ccc(CCN)cc1OC(=O)C(C)(C)C 34264391 YERQWGUWIPSYAS-UHFFFAOYSA-N 321.417 3.091 0 40 DGAB O=C1/C(=C\c2cccnc2Cl)N=C(S)N1c1ccccc1 34927086 KBLQJTJQZADAIZ-FMIVXFBMSA-N 315.785 3.409 0 40 DGAB Cc1noc(C)c1C(=O)NCc1cc(Br)cs1 40553621 XMDSGNNTQWMRKU-UHFFFAOYSA-N 315.192 3.045 0 40 DGAB Cc1cc(=O)[nH]c(-c2cccc(NC(=O)c3ccccc3C)c2)n1 47318200 DOVQLFLCIRXWRF-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB CCc1ccc(CNC(=O)NCc2ccc3c(c2)OCO3)s1 47575861 WTSLXRXESOQWGR-UHFFFAOYSA-N 318.398 3.039 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2c(N)cccc2Cl)c1 50352379 SIQDJHBNDBSMRT-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(N[C@H]1CCOc2ccc(Br)cc21)c1ccco1 53411838 KNXHQDWVMSCJPQ-NSHDSACASA-N 322.158 3.296 0 40 DGAB CC(=O)N1N=C(c2ccc3c(c2)OCO3)C[C@@H]1c1ccccc1C 60101673 HUUJNRGRNUTRNG-QGZVFWFLSA-N 322.364 3.421 0 40 DGAB Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@H]2c1ccccn1 65407417 AHQREUSDLMFMFB-HNNXBMFYSA-N 318.380 3.109 0 40 DGAB CC(=O)Nc1cc(C(=O)NC2(C)CCC(C)CC2)ccc1F 65595446 VEMQPEYZYWDPMD-UHFFFAOYSA-N 306.381 3.483 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@H]1CN1CCCC1 66944567 GTKRBANDYWXDGP-HKUYNNGSSA-N 312.457 3.193 0 40 DGAB Cc1ccc(C(=O)c2c[nH]c3cc4c(cc3c2=O)OCO4)cc1C 67340932 WPNWBZJWBFYMBA-UHFFFAOYSA-N 321.332 3.105 0 40 DGAB Cc1noc([C@H](C)Sc2nnc(Cc3ccccc3F)o2)n1 67955022 FSGYSVPSSOELIY-QMMMGPOBSA-N 320.349 3.344 0 40 DGAB O=C([C@H]1CC=CCC1)N1CCC[C@@H](CN2CCCCCC2)C1 69742151 HQQZVJKPPLOKPG-ROUUACIJSA-N 304.478 3.457 0 40 DGAB Cc1ccc(NC(=O)NCc2cccnc2)cc1OCC(F)F 69775095 XCNFDNVEHMQAMA-UHFFFAOYSA-N 321.327 3.356 0 40 DGAB Cc1nc2cc(C(=O)Nc3ccc(Cl)nc3)ccc2n1C 69775864 UBCZGJJOXWSAHK-UHFFFAOYSA-N 300.749 3.182 0 40 DGAB CC(C)c1nnc2n1C[C@@H](CNc1cnc3ccccc3n1)CC2 69779211 LNJCMAGQLNDABN-CYBMUJFWSA-N 322.416 3.019 0 40 DGAB CCCOc1ccc(C(=O)Nc2ccc(OC)cc2N)cc1 70462833 WXALTWRKRDRSOZ-UHFFFAOYSA-N 300.358 3.319 0 40 DGAB COc1ncccc1C(=O)N(C1CC1)[C@@H]1CCc2ccccc21 72039019 ZQTUZPRYZZMCCP-QGZVFWFLSA-N 308.381 3.382 0 40 DGAB COc1ccc(C2CCN(C(=O)CCc3ccncc3)CC2)cc1 73167644 ISIRJBNLDULFPO-UHFFFAOYSA-N 324.424 3.429 0 40 DGAB Cc1noc(C)c1C[C@@H](C)NC(=O)N1CCCC(C)(C)CC1 74363214 IDVDYVAXQWSNJY-GFCCVEGCSA-N 307.438 3.444 0 40 DGAB CCOc1ccc2ccccc2c1C(=O)N[C@@H]1CCC[C@H](O)C1 75156725 JELAGGVMRHKZEZ-CABCVRRESA-N 313.397 3.272 0 40 DGAB Cn1c(Cl)cnc1COC(=O)c1cccc(F)c1Cl 76876302 GUCJIWSLEYVCHK-UHFFFAOYSA-N 303.120 3.223 0 40 DGAB CN1CCN(C(=O)c2ccc(F)cc2F)c2ccccc2C1 78416039 AJEWYSSQUVWROA-UHFFFAOYSA-N 302.324 3.057 0 40 DGAB COCCN(CC(F)F)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)cc1 78796640 SQYPXLFNHLLUCZ-OLZOCXBDSA-N 317.763 3.184 0 40 DGAB COc1ccncc1NC(=O)[C@@H](C)Oc1ccc(F)cc1Cl 79040012 XBARXPWEBRWCPO-SECBINFHSA-N 324.739 3.289 0 40 DGAB Cc1nccn1CCCNC(=O)N1CCC[C@@]2(CC=CCC2)C1 79349315 HQEMCVDEKIHRTB-SFHVURJKSA-N 316.449 3.114 0 40 DGAB Cc1ccc([C@H]2CCCN2CC(=O)Nc2c(C)n[nH]c2C)s1 79354697 YXSJKRJWTBNYRG-CYBMUJFWSA-N 318.446 3.172 0 40 DGAB CCOCCCN1CC[C@@H](NC(=O)C2CCCCCC2)[C@H](C)C1 79361212 NZIWTCZPYZZDGU-SJLPKXTDSA-N 324.509 3.210 0 40 DGAB Cc1cnn(CCC(=O)N2C[C@H](C)Sc3ccccc32)c1 84265175 AQORXFSETBSDLB-ZDUSSCGKSA-N 301.415 3.109 0 40 DGAB OCCN(Cc1ccsc1)Cc1ccn(C2CCCC2)n1 89884705 AGKCZGZHZYZTFZ-UHFFFAOYSA-N 305.447 3.054 0 40 DGAB Cc1cc(C(=O)N[C@H]2CCO[C@@H]2c2ccc(Cl)c(F)c2)on1 91058906 QTNVFZSDNRNXKL-GXTWGEPZSA-N 324.739 3.036 0 40 DGAB c1ccc2c(c1)CC[C@H]2NC1CCN(CCc2ccncc2)CC1 95421520 ZTCDFQMCSSWZIM-OAQYLSRUSA-N 321.468 3.366 0 40 DGAB C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cc2ccccc2[nH]1 95434462 YDCJZDFZTBLDAX-NHYWBVRUSA-N 314.410 3.471 0 40 DGAB Cc1ccc(NC(=O)c2ccoc2C)cc1O[C@H](C)C(=O)O 95464503 IRYWCTGISWEAJK-LLVKDONJSA-N 303.314 3.001 0 40 DGAB Cc1noc(C)c1CN1CC[C@H]2C[C@@H](c3nccs3)O[C@@H]2C1 96046259 CGTDIADXQOHQKB-AEGPPILISA-N 319.430 3.100 0 40 DGAB O=C(c1ccc(F)cc1)N1CCC2(CC1)CC(N1CCCC1)C2 96159220 QUEAIKJAMXSNGH-UHFFFAOYSA-N 316.420 3.306 0 40 DGAB Cc1cnc(NC(=O)CCn2ncc3ccc(Cl)cc32)s1 96181987 TVEBJPMPBZCNDD-UHFFFAOYSA-N 320.805 3.483 0 40 DGAB Cc1ccc(CN2CCc3nc(N4CCCC4)nc(C)c3C2)cc1 96253826 KIKLHYJZNUTJOX-UHFFFAOYSA-N 322.456 3.252 0 40 DGAB C[C@H]1C[C@@H](N2CC=C(c3c[nH]c4cc(F)ccc34)CC2)C(=O)O1 96308896 HLDMLPVWUINCCM-APPDUMDISA-N 314.360 3.100 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1ccc(F)cc1OC(F)F 96425871 MOLCXIRKIUOTES-SNVBAGLBSA-N 303.280 3.325 0 40 DGAB C[S@](=O)c1cccc(NC(=O)N2CCCC(C)(C)CC2)c1 96434863 NULDZPWFPZAPQZ-OAQYLSRUSA-N 308.447 3.468 0 40 DGAB CCCc1sc(-n2cccc2)nc1C(=O)n1nc(C)cc1C 96511587 OTQSEWKHMOYKMB-UHFFFAOYSA-N 314.414 3.388 0 40 DGAB O=C(NCc1nc(C(F)(F)F)cs1)Nc1ccc(F)cn1 97099971 ZTPYATXDZUTLPJ-UHFFFAOYSA-N 320.271 3.018 0 40 DGAB CN(C)c1ccnc(C(=O)Nc2ccc(-c3cnco3)cc2)c1 97104173 LTZIKVOBLIXBLJ-UHFFFAOYSA-N 308.341 3.055 0 40 DGAB CN(C)[C@H]1CC[C@H](NCc2cn(C)nc2C2CCCCC2)C1 97106910 FNVGDSFFIAXCEL-IRXDYDNUSA-N 304.482 3.040 0 40 DGAB CCOC(=O)[C@@H]1Nc2ccc(O)cc2[C@H]2c3ccccc3C[C@@H]12 104222342 VKIFYMRBLHCVQC-KBAYOESNSA-N 309.365 3.054 0 40 DGAB O=C(OCCCCOC(=O)[C@@H]1C[C@H]2C=C[C@H]1C2)[C@H]1CC=CCC1 104810763 RIBGLNIGLMQUBT-LUKYLMHMSA-N 318.413 3.422 0 40 DGAB C[C@H](NC(=O)c1ccc2c(c1)CCC(=O)N2)[C@@H]1C[C@H]2CC[C@H]1C2 104879506 HWIXGTMIDPYTFK-QCQGSNGOSA-N 312.413 3.126 0 40 DGAB O=C(NC[C@H](O)c1ccsc1)[C@H]1CCCC[C@H]1C(F)(F)F 107523205 PLMGAOHVVBHDNQ-TUAOUCFPSA-N 321.364 3.266 0 40 DGAB Cc1nc(C)c(C(=O)N(c2ccccc2)[C@H]2CCOC2)s1 192082930 SPFLRKQXIKBVEF-AWEZNQCLSA-N 302.399 3.196 0 40 DGAB CC(C)(C)OC(=O)NC[C@H]1CCCN(c2ccccc2N)C1 221962264 WREQTXNTOLNBPK-CYBMUJFWSA-N 305.422 3.010 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccccc1C)C(=O)CCC 223042557 TVAYTXIEQPBLSN-MRXNPFEDSA-N 318.461 3.429 0 40 DGAB Cc1ccc(OC[C@@H](C)NC(=O)Cc2ccccc2F)cc1 225448619 VJMVWHITGKJZON-CQSZACIVSA-N 301.361 3.260 0 40 DGAB CCN1C(=O)CC[C@@H](C(=O)NCC(C)C)[C@@H]1c1ccccc1C 257235373 GXOHMPJGKOOSFW-AEFFLSMTSA-N 316.445 3.067 0 40 DGAB Cc1nc(C(=O)N2CCC[C@@H]2c2ccsc2)ccc1C(=O)O 263299559 CXORYTHXFHSSBI-CQSZACIVSA-N 316.382 3.127 0 40 DGAB O=C(Nc1nccs1)N[C@H]1CC[C@H](Nc2ccccn2)CC1 333844279 NZYZUZPKKXOEQB-HAQNSBGRSA-N 317.418 3.083 0 40 DGAB Fc1ccc(CN2CCC(Oc3cncc(Cl)c3)CC2)nc1 569116557 KLQBEDBQTCDOGW-UHFFFAOYSA-N 321.783 3.313 0 40 DGAB C/C(=C\C(=O)OCCn1ccnc1C)c1cccc(Cl)c1 584908358 HVIBTJMPDWSQRK-ZRDIBKRKSA-N 304.777 3.492 0 40 DGAB Cc1oncc1C(=O)NC[C@H](c1ccsc1)c1ccco1 675007820 SIBXJTQWDXMEAZ-CYBMUJFWSA-N 302.355 3.199 0 40 DGAB Cc1nc(C2CC2)nc(N2CCN(c3ccccc3)CC2)c1C 1888875594 MONZRLKABYRKMI-UHFFFAOYSA-N 308.429 3.297 0 40 DGAB FC(F)(F)COc1nc(Cl)nc(Nc2ccccc2)n1 53848 RCHZIPINSHKMMF-UHFFFAOYSA-N 304.659 3.210 0 40 DGAB O=C(CCN1CCCCC1)Nc1cccc(Br)c1 54960 OPVBJKGUTOFVLF-UHFFFAOYSA-N 311.223 3.264 0 40 DGAB COc1cc(OC)c(C(=O)Oc2cccc(C)c2)cc1OC 365277 AFUBXQQCBYWGDO-UHFFFAOYSA-N 302.326 3.240 0 40 DGAB COC(=O)COc1ccc2c(=O)c(-c3ccccc3)c(C)oc2c1 488869 JRIHMHVWZMCIFP-UHFFFAOYSA-N 324.332 3.320 0 40 DGAB biogenic NC(=O)c1sc2nc3c(c(-c4cccs4)c2c1N)CCC3 544552 OFIRASZJASJEIT-UHFFFAOYSA-N 315.423 3.195 0 40 DGAB CCC(=O)c1cn(CC(=O)NCc2ccco2)c2ccccc12 560820 NGGGIVDSHYRAEZ-UHFFFAOYSA-N 310.353 3.143 0 40 DGAB Cc1cc(NCc2cccc(C(F)(F)F)c2)n2ncnc2n1 1368938 ZRZKKKRQYNKDBJ-UHFFFAOYSA-N 307.279 3.064 0 40 DGAB O=C1c2ccccc2CC[C@@H]1C(O)(C(F)(F)F)C(F)(F)F 1639066 SUPUNQIGTWFZBO-VIFPVBQESA-N 312.209 3.287 0 40 DGAB Clc1ccc(C2=NNC(c3ccc(Cl)cc3)=NN2)cc1 2513918 ZWCXJQUMYHNLFW-UHFFFAOYSA-N 305.168 3.210 0 40 DGAB Nc1nnc(SCC(=O)c2cc(Cl)ccc2Cl)s1 3299333 YMULQWJGCRDHFE-UHFFFAOYSA-N 320.226 3.402 0 40 DGAB Cc1cc(C)n2nc(S[C@@H](C)C(=O)c3ccccc3)nc2n1 3466999 CHCPUBZOGAUSBL-LBPRGKRZSA-N 312.398 3.105 0 40 DGAB O=C(CN1CCCCC1)NC(c1ccccc1)c1ccccc1 3536891 MNQQMTXYJKDJOE-UHFFFAOYSA-N 308.425 3.378 0 40 DGAB C[C@@H]1CCCCN1CC(=O)Nc1cccc(Br)c1 3583533 VNTXZBUPVDZJQH-LLVKDONJSA-N 311.223 3.262 0 40 DGAB CCOc1ccc(/C=C2/SC(=O)N(CC)C2=O)cc1OC 4680321 NEMPXEDEBNOMHM-UKTHLTGXSA-N 307.371 3.150 0 40 DGAB C[C@@H]1CN1C(=O)c1ccc(-c2ccc(C(=O)N3C[C@H]3C)cc2)cc1 4802271 FMIDQOJJFFHKGV-CFYSCFQDSA-N 320.392 3.042 0 40 DGAB COCCn1c(-c2ccccc2F)nc2nc3ccccc3nc21 5252973 AJKLBBRJLRMERZ-UHFFFAOYSA-N 322.343 3.432 0 40 DGAB COc1cccc(C(=O)Nc2cccc(N3CCCC3=O)c2)c1 5440519 DLEWKPXKLVSCAA-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)c2ccccc2)cc1 5553259 JPHCUFXGWTVBAP-UHFFFAOYSA-N 305.399 3.301 0 40 DGAB O=C(COc1ccc(F)cc1Cl)Nc1ccc2c(c1)OCO2 6217309 BXXYRFHTENTBMN-UHFFFAOYSA-N 323.707 3.225 0 40 DGAB Cn1cnnc1SCc1ncc(-c2ccc(Cl)cc2)o1 7171358 HVGOOTADHOHMCT-UHFFFAOYSA-N 306.778 3.416 0 40 DGAB COc1cccc(C(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 8881830 MRFQLOWVJZKGGW-UHFFFAOYSA-N 310.357 3.273 0 40 DGAB COc1ccc(OC)c(NC(=O)CNc2ccc(C)cc2C)c1 9368042 YTDGRVMTHIWZJZ-UHFFFAOYSA-N 314.385 3.371 0 40 DGAB CN(C)CCNc1c(Cc2ccccc2)c(=O)oc2ccccc12 10313717 ICYCMOMIENJADB-UHFFFAOYSA-N 322.408 3.357 0 40 DGAB O=C(Cc1c[nH]c2ccccc12)NCCCOc1ccccc1 11085959 LYXSPAIBHXUTOZ-UHFFFAOYSA-N 308.381 3.296 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2ccccc2)c2nccn2C)cc1F 12531872 YIRMJLSGSINHPJ-QGZVFWFLSA-N 323.371 3.387 0 40 DGAB C[C@H](SC[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)CCC2 12883161 IRNYKDWDLFGDHB-LRDDRELGSA-N 305.443 3.415 0 40 DGAB CC[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)c1ccccc1 14168717 AJGNGFKXYQXYDI-JKSUJKDBSA-N 311.381 3.136 0 40 DGAB Cc1ccc2c(c1)CCCN2CC(=O)Nc1ccc(Cl)cn1 14188450 JOYMAKWXDJSZBC-UHFFFAOYSA-N 315.804 3.435 0 40 DGAB CCNc1nc2c(s1)[C@@H](c1ccc(F)c(F)c1)CC(=O)N2 15110130 BKWOGOKDPBXTEE-MRVPVSSYSA-N 309.341 3.327 0 40 DGAB CC(=O)[C@@H]1[C@@H](c2ccc(Cl)cc2)c2c(C)n[nH]c2C[C@@]1(C)O 17250483 TUSGHQTZYMNUON-GVDBMIGSSA-N 318.804 3.016 0 40 DGAB CCCC12CN3CC(CCC)(CN(C1)C3c1ccccc1)C2O 19326245 UFWIACGHZJEGNU-UHFFFAOYSA-N 314.473 3.264 0 40 DGAB CC1(C)CCCN(C(=O)c2ccc(CN3CCCC3=O)cc2)C1 19934836 PQOHODJPXYECIV-UHFFFAOYSA-N 314.429 3.071 0 40 DGAB CCc1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)cc1 21918043 ATHFBIVBFBWLKU-UHFFFAOYSA-N 307.397 3.118 0 40 DGAB Cc1cc(C)cc(C(=O)c2ccc(CN3CCN(C)CC3)cc2)c1 22027923 VQKLFIBPCAPXHF-UHFFFAOYSA-N 322.452 3.282 0 40 DGAB O=C(NC[C@H](c1ccccc1)N1CCCC1)c1ccc(Cl)o1 22464315 OGNINUULURUOPV-CQSZACIVSA-N 318.804 3.500 0 40 DGAB O=C(NCCOc1cccc(C(F)(F)F)c1)C1CCCC1 23142537 NWXXDQBYQLJYPH-UHFFFAOYSA-N 301.308 3.391 0 40 DGAB CC(=O)Nc1nc(COC(=O)CCCc2cccs2)cs1 24796889 CIQDFCBWQHFCFV-UHFFFAOYSA-N 324.427 3.229 0 40 DGAB COc1ccc([C@@H](C)N(C)C(=O)Cc2c(C)noc2C)cc1 29105751 GNDIVRIUJADACW-GFCCVEGCSA-N 302.374 3.062 0 40 DGAB O=C(NCCc1cn2ccccc2n1)NC1CCCCCCC1 29722761 RHUKHZXGFKQWCG-UHFFFAOYSA-N 314.433 3.289 0 40 DGAB Cc1ccc(-n2cc(C(=O)N[C@@H](C)c3ccccc3)nn2)cc1 32477401 IQIDUEMTDKGGRW-AWEZNQCLSA-N 306.369 3.067 0 40 DGAB c1ccc(Cn2ccnc2CSc2nc(C3CC3)n[nH]2)cc1 32778956 CRHDGJLSSHQXNU-UHFFFAOYSA-N 311.414 3.219 0 40 DGAB O=C(Nc1ccc2c(c1)OCO2)N[C@@H]1CCOc2ccccc21 32862311 SNSARVKLHSDMLD-CYBMUJFWSA-N 312.325 3.061 0 40 DGAB CN(C)C(=O)[C@H](NCCc1c[nH]c2ccccc12)c1ccccc1 35286713 JZGWWMMDCDIQEF-LJQANCHMSA-N 321.424 3.130 0 40 DGAB C[C@@H](c1ccccc1)N1CCN(Cc2nc3ccccc3[nH]2)CC1 35598337 XGRNMYZBIFHQFK-INIZCTEOSA-N 320.440 3.442 0 40 DGAB O=C(Nc1cccc(CN2CCOC2=O)c1)N1CCCCCC1 40540609 ALTDDTYOXGNITQ-UHFFFAOYSA-N 317.389 3.047 0 40 DGAB Cc1ccc(O[C@@H](C)C(=O)NCC(C)(C)N2CCCCC2)cc1 41297629 WDSATKZLTKEDHR-INIZCTEOSA-N 318.461 3.143 0 40 DGAB S=C(NC[C@@H]1CCCO1)N1CCCCC[C@H]1c1ccncc1 44082702 LGHYCPMRIVJWCO-HOTGVXAUSA-N 319.474 3.052 0 40 DGAB CC(=O)c1cc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)n(C)c1 44231352 WZUUSSGOCQJCCB-RYUDHWBXSA-N 316.323 3.079 0 40 DGAB COc1ccccc1CC(=O)N(C1CC1)[C@@H](C)c1ccccn1 44972223 SQMPZOINAGMZFY-AWEZNQCLSA-N 310.397 3.385 0 40 DGAB C[C@H](CNC(=O)c1cccc2cccnc12)N(C)c1ccccc1 46951462 BNUVHJYCXGQGOE-OAHLLOKOSA-N 319.408 3.490 0 40 DGAB O=C(NCc1cc[nH]n1)N[C@H](c1cccs1)C1CCCC1 48253243 ZOZZHWBQMZLEML-AWEZNQCLSA-N 304.419 3.202 0 40 DGAB Cc1nnc(CN2CCC(Oc3ccc(C)c(C)c3)CC2)o1 51992121 AZVRPMKRMGTUTF-UHFFFAOYSA-N 301.390 3.038 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCCN(c2ccccn2)CC1 57141567 GNKZHUFVBLLQIF-UHFFFAOYSA-N 315.804 3.088 0 40 DGAB COCCn1cc(C(=O)N[C@@H](C)c2ccccn2)c2ccccc21 57427459 KMFHRZMCQQCOOD-AWEZNQCLSA-N 323.396 3.174 0 40 DGAB C[C@H](Sc1nnc(C(F)(F)F)n1N)c1ccc(F)cc1F 59927550 VACCMAUPNDCNQQ-YFKPBYRVSA-N 324.278 3.142 0 40 DGAB CN(Cc1ccco1)C(=O)Nc1ccc(N2CCCCC2)nc1 61397309 PXLRKYFMIDBMJK-UHFFFAOYSA-N 314.389 3.329 0 40 DGAB Cc1cc(NC(=O)Cc2nnc(-c3ccsc3)o2)ccc1F 62007287 JQDSYLXBCGPFEJ-UHFFFAOYSA-N 317.345 3.427 0 40 DGAB O=C(Nc1cccc(Cn2cnc3ccccc32)c1)[C@@H]1CCCO1 68146751 WSEHFHSLQUBMER-SFHVURJKSA-N 321.380 3.202 0 40 DGAB Cn1cnnc1-c1ccccc1NC(=O)[C@H]1C[C@H]1c1ccccc1 68725216 HEQMXCVDTLAZEC-HOTGVXAUSA-N 318.380 3.224 0 40 DGAB CC(C)c1nn(C)c(Cl)c1CNC[C@H](c1ccco1)N(C)C 69161082 CDGPRRLFOUGVCF-CYBMUJFWSA-N 324.856 3.182 0 40 DGAB O=C(CNc1ccccc1Cl)N(Cc1ccccn1)C1CC1 69324579 ZVTXZNJBPZETPG-UHFFFAOYSA-N 315.804 3.338 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)NCC[C@@H]1CCCO1 69438332 QXUCGBVASIMSNV-AWEZNQCLSA-N 316.426 3.417 0 40 DGAB CC(C)c1nc(CCNC(=O)Cc2ccccc2F)cs1 69812896 GURIFYZNXQGCPY-UHFFFAOYSA-N 306.406 3.307 0 40 DGAB C[C@H](NC(=O)CNCC(F)(F)F)c1ccc2ccccc2c1 70974502 JGPOEPUAQDPDHP-NSHDSACASA-N 310.319 3.169 0 40 DGAB O=C(c1ccnc(-n2ccnc2)c1)N1CCC[C@H]1C1CCCCC1 71821335 AGXXRIGERUFXJO-KRWDZBQOSA-N 324.428 3.452 0 40 DGAB CC[C@@H](Sc1ccccc1)C(=O)N(CC)C[C@H]1CCOC1 71896090 KOUBQTUJQYEDID-GDBMZVCRSA-N 307.459 3.442 0 40 DGAB CCc1ccc2nc(NC(=O)N(CCCO)C3CC3)sc2c1 72305790 QOXFSXBIZDSQCO-UHFFFAOYSA-N 319.430 3.237 0 40 DGAB CCC[C@@H]1c2ccccc2CCN1C(=O)c1c[nH]c(C)cc1=O 73678893 PENWZQOBGOIZEE-QGZVFWFLSA-N 310.397 3.223 0 40 DGAB CCCN(CCC)C(=O)CN1CCCC[C@H](SCC)C1 78650649 PMZXWNSHEIOGGQ-HNNXBMFYSA-N 300.512 3.243 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2ccc(SC)o2)c1C 78999435 QDGQDFVSNUXHLK-UHFFFAOYSA-N 320.414 3.294 0 40 DGAB CC(C)C(=O)Nc1ccc2c(c1)C(=O)N(C)c1cccnc1O2 79190177 ZJWXCDROSZSQAQ-UHFFFAOYSA-N 311.341 3.058 0 40 DGAB biogenic CCO[C@@H](C)c1nc(Cn2cc(-n3cccc3)cn2)cs1 81081305 RROORHCWKZFDBY-LBPRGKRZSA-N 302.403 3.276 0 40 DGAB Cc1ccn2c(NC(=O)CC/C=C/c3ccccc3)nnc2c1 88253589 YDZBGSLUYZRPKQ-WEVVVXLNSA-N 306.369 3.470 0 40 DGAB Cc1n[nH]c(C)c1NC(=O)NC[C@H]1C[C@@]12CCc1ccccc12 88390709 DDXAWVLQVLTUOW-KDOFPFPSSA-N 310.401 3.052 0 40 DGAB CNC(=O)c1c(C)cccc1NC(=O)CCO[C@@H](C)CC(C)C 89686300 SYHSVMXVZKTUKT-AWEZNQCLSA-N 320.433 3.134 0 40 DGAB C[C@H](NC[C@@]1(O)CCc2ccccc21)c1ccccc1N(C)C 90779786 QKTAFNYVPHBCRC-YWZLYKJASA-N 310.441 3.237 0 40 DGAB COc1ccc(F)cc1[C@@H](C)NC(=O)c1ccncc1Cl 91455160 UUNMMDJHLAMCBY-SECBINFHSA-N 308.740 3.374 0 40 DGAB COCCCCC[S@](=O)c1cc2c(cc1Cl)OCCO2 95426041 PVWJRZRWAWRKKA-HXUWFJFHSA-N 318.822 3.036 0 40 DGAB O=C(c1cccc(-c2nc(C3CCCC3)no2)n1)N1CCCC1 96435860 UEYCUOJLZKYTQC-UHFFFAOYSA-N 312.373 3.025 0 40 DGAB CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(-c2cncnc2)cc1 96443828 KUSBKDFDWZSAPN-STQMWFEESA-N 315.442 3.320 0 40 DGAB CCS[C@@H]1CC[C@@H](NCc2cn(C)nc2-c2ccncc2)C1 96494382 IOQDONBRAXOLRI-HZPDHXFCSA-N 316.474 3.246 0 40 DGAB O=C(c1cc[nH]n1)N1CC[C@@H](c2cccc(C(F)(F)F)c2)C1 97086539 LYPUIQXNRXBHJU-LLVKDONJSA-N 309.291 3.058 0 40 DGAB O=C(Nc1ccncc1F)NC1(c2nccs2)CCCC1 97376689 CQGTXJQFXLHYCD-UHFFFAOYSA-N 306.366 3.268 0 40 DGAB CCOc1ccc([C@@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 101029201 LZCUZWNNFPAJLV-KRWDZBQOSA-N 319.368 3.128 0 40 DGAB COc1cccc(N[C@@H]2CC(=O)N(c3ccc(C)c(C)c3)C2=O)c1 101275392 NGZYIPRKDXZNNO-QGZVFWFLSA-N 324.380 3.056 0 40 DGAB Cc1csc(C2=C(O)CN(c3ccc(N(C)C)cc3)C2=N)n1 102743753 PTTJSVVYMONZIF-UHFFFAOYSA-N 314.414 3.284 0 40 DGAB CC1=CCC[C@H](C)[C@H]1CNCc1ccc(CS(C)(=O)=O)cc1 134015781 RZOPONRKNVQZFV-YJBOKZPZSA-N 321.486 3.313 0 40 DGAB Cn1ncc2c(Oc3ccc(-c4ccccc4)nc3)ncnc21 179620693 MJVPHEFWUAGGIP-UHFFFAOYSA-N 303.325 3.218 0 40 DGAB Cc1ccc(Cc2nnc3sc(-c4ccc(N)cc4)nn23)cc1 216756194 JPBQUTIYIWXYIL-UHFFFAOYSA-N 321.409 3.334 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=S)NCc1ccccc1 216927824 JEMZHZOJAMNNFM-UHFFFAOYSA-N 300.383 3.180 0 40 DGAB CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CCC 224846102 NEZHASLHRSBQEN-ZDUSSCGKSA-N 324.852 3.383 0 40 DGAB Cc1ccnc(NC(=S)N[C@H](C)c2ccc(Cl)cc2)n1 225175535 PJNZMKGSIOJVRY-SNVBAGLBSA-N 306.822 3.486 0 40 DGAB Cc1cc(Nc2ccc(F)cc2)nc(NC(=S)NC2CC2)n1 225203256 DUXCAQZNBHQAGD-UHFFFAOYSA-N 317.393 3.117 0 40 DGAB Cc1ccnc(NC(=S)NCCSCc2ccco2)c1 225349409 YRSGBDOOFDMXCM-UHFFFAOYSA-N 307.444 3.203 0 40 DGAB CCCn1nc(-c2ccc(C)c(C)c2)cc(C(=O)OCC)c1=O 225965688 YXRKCYQXCLBFQX-UHFFFAOYSA-N 314.385 3.114 0 40 DGAB CCCN(CCC)c1nn(-c2ccc(Cl)cc2)nc1C(=O)O 256046642 HFZCUNMJBZIEOK-UHFFFAOYSA-N 322.796 3.245 0 40 DGAB Cc1c[nH]c([C@H]2CCCN2C(=O)CCc2ccccc2F)n1 257339659 ZCQVQKXVBJHCKB-OAHLLOKOSA-N 301.365 3.154 0 40 DGAB O=C(Nc1ccc(C2CCC2)cn1)N[C@@H]1CC12CCOCC2 333603632 DCHLTHRVRAMZBP-CQSZACIVSA-N 301.390 3.040 0 40 DGAB CCc1ccc(NCc2ccc(OCC(N)=O)c(Cl)c2)cc1 408553488 AFJMCQGXNXTUHA-UHFFFAOYSA-N 318.804 3.379 0 40 DGAB Cc1ncoc1CN1CCC(OCc2ccccc2F)CC1 585136652 OICPLOHRXDPDQN-UHFFFAOYSA-N 304.365 3.303 0 40 DGAB CN(C)c1ccc(C(=O)N2CC[C@H](c3ccsc3)C2)cc1 675008298 PKRHMGGCKMZBSL-AWEZNQCLSA-N 300.427 3.444 0 40 DGAB c1csc(OC[C@H]2CCCN(c3nnc(C4CC4)s3)C2)n1 2298183872 JKZQZDCPUJFKRD-JTQLQIEISA-N 322.459 3.167 0 40 DGAB CCOC(=O)c1ccc(N(Cc2cccnc2)C(=O)CC)cc1 505838 AMBDHRKKSKOXSY-UHFFFAOYSA-N 312.369 3.202 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1)c1cnc2ccccc2n1 3015988 LLXDUUGOALZQRF-UHFFFAOYSA-N 304.758 3.116 0 40 DGAB O=C(Nc1nnc(-c2ccco2)s1)N1C[C@H]2CCCC[C@H]2C1 78494816 JHNBULPDCHGRSI-PHIMTYICSA-N 318.402 3.452 0 40 DGAB COc1ccccc1OCC(=O)NCc1ccccc1Cl 3383425 XLMJNNDLGCAXKV-UHFFFAOYSA-N 305.761 3.044 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1C 4173607 UGHVKKXOWDLSOH-OBCVZTRHSA-N 315.413 3.228 0 40 DGAB COc1cc(S(=O)(=O)Nc2ccc(C)c(C)c2)ccc1F 7361053 IXDJNOGBMJHJHE-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB O=C(Nc1cccc(C(=O)O[C@@H]2C[C@H]3CC[C@H]2C3)c1)NC1CC1 107341594 LSFPGRKTJPSDLV-MQIPJXDCSA-N 314.385 3.316 0 40 DGAB C[C@@H]1CCc2ccccc2N1C(=O)COc1cccc(C=O)c1 25805841 GSUBUKGWGFKGRE-CQSZACIVSA-N 309.365 3.246 0 40 DGAB O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)NC1CCOCC1 95422240 VVZXSJFBNLFVNB-LJQANCHMSA-N 324.424 3.005 0 40 DGAB COc1ccc(C(=O)N[C@H](C)COc2ccccc2)cc1F 55731951 KPEXHMUQROAIAC-GFCCVEGCSA-N 303.333 3.032 0 40 DGAB CC(C)(C)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 3270457 NSDAIERENLJIPX-UHFFFAOYSA-N 312.369 3.175 0 40 DGAB Cn1cc(NC(=O)c2ccc(Sc3ccccn3)cc2)cn1 58293718 OOCGCHPVWWVJQU-UHFFFAOYSA-N 310.382 3.219 0 40 DGAB Cc1nc(CNC(=O)c2ccc(Oc3cccnc3)cc2)oc1C 58226994 PEUFHOZXWGCPPT-UHFFFAOYSA-N 323.352 3.409 0 40 DGAB CCOc1ncccc1CNC(=O)N(C)[C@@H](C)c1cccs1 44968872 WPDFFKJISYWSRT-LBPRGKRZSA-N 319.430 3.444 0 40 DGAB COc1ccc(C2=Nn3c(C)nnc3-c3ccccc3C2)cc1 28297204 ZEMABDOBPFQXMV-UHFFFAOYSA-N 304.353 3.071 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@@H](C)c2ccccc2)s1 3297277 OFJKSTIAIINXQB-LBPRGKRZSA-N 303.383 3.091 0 40 DGAB COc1ccccc1C(=O)NCCCc1ccc(N(C)C)cc1 11693654 LVWUIJORWZPZOS-UHFFFAOYSA-N 312.413 3.124 0 40 DGAB Cc1ccc(NC(=O)CCc2nc(-c3ccncc3)no2)cc1 12619657 HPEXPKPORYCWEJ-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1cc([C@@H]2CCCN2Cc2nc(-c3ccsc3)no2)on1 48275612 JJWLCKJPGVTIBI-LBPRGKRZSA-N 316.386 3.432 0 40 DGAB C[C@@H]1CCc2sc(C(=O)Nc3ccc(C(N)=O)cc3)cc2C1 3347207 KHQALSWMYHEWOW-SNVBAGLBSA-N 314.410 3.224 0 40 DGAB CN(C)C(=O)C(=O)c1c[nH]c2cccc(OCc3ccccc3)c12 65734747 PBWXUCRHDILBKM-UHFFFAOYSA-N 322.364 3.018 0 40 DGAB in-vitro Cc1ccc([C@@H](C)NCc2ccc(-n3cncn3)c(F)c2)o1 48332692 LGDYWBZNFWCGCG-GFCCVEGCSA-N 300.337 3.159 0 40 DGAB COc1cccc(CNC(=O)Nc2ccc(OC)c(F)c2)c1 48451040 LIAQPLLNUNOWII-UHFFFAOYSA-N 304.321 3.165 0 40 DGAB COCC[C@@H](Nc1ccc(C(F)(F)F)nn1)c1ccco1 96002044 WGGLTGZDWBAVOT-SECBINFHSA-N 301.268 3.278 0 40 DGAB COc1ccc(CNCc2cc3ccc(C)cc3[nH]c2=O)cc1 4160541 USGCLAIEENMWIS-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB Cc1oc(-c2ccco2)nc1Cn1cccc(C(F)(F)F)c1=O 65562165 JXEKIZCVJMCPPJ-UHFFFAOYSA-N 324.258 3.472 0 40 DGAB O=C(O)CCCSc1nnc(NCc2ccccc2)s1 14185006 HPSXSKLOLBZSMJ-UHFFFAOYSA-N 309.416 3.107 0 40 DGAB COc1ccccc1C(=O)Nc1ccccc1N1CCCC1=O 14185320 KDZXPQILFPJIFD-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB Cc1nc(-c2ccc(CCNC(=O)c3ccccn3)cc2)cs1 14134716 PUQFUJJYNQCIAG-UHFFFAOYSA-N 323.421 3.486 0 40 DGAB C[C@@H]1CCc2c(sc(NC(=O)CC3CCCC3)c2C(N)=O)C1 14230455 KTOMLJYOYDIFJA-SNVBAGLBSA-N 320.458 3.491 0 40 DGAB Cc1ccc(C)c(NC(=O)CSc2nncn2C(C)C)c1 5417605 PSBUAGZMDQZAMS-UHFFFAOYSA-N 304.419 3.207 0 40 DGAB CCN(CC)CCCNC(=O)c1cc2cc(Cl)ccc2[nH]1 4679430 PCFVXWIONUKPEQ-UHFFFAOYSA-N 307.825 3.283 0 40 DGAB CC[C@](C)(COc1ncccc1Cl)NCc1cnn(C)c1C 95440164 UFXXZKHITOSQFH-MRXNPFEDSA-N 322.840 3.114 0 40 DGAB CSC[C@@H](C)NC(=O)N1CCC(N(C)c2ccccc2)CC1 96455089 RCIDPCGEXLHJIQ-CQSZACIVSA-N 321.490 3.048 0 40 DGAB CC(C)(C)C(=O)CSc1nnc(-c2ccncc2)n1C1CC1 7616742 NPTMGBBRECDUPR-UHFFFAOYSA-N 316.430 3.382 0 40 DGAB CC(C)CN(CC(C)C)CN1C(=O)N[C@]2(CCCC[C@@H]2C)C1=O 16074823 AKGPYHXWYUAVIS-YJBOKZPZSA-N 323.481 3.059 0 40 DGAB Cc1cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)sc1C 91015359 AZVDKZFCOLVOPO-UHFFFAOYSA-N 313.448 3.117 0 40 DGAB CCO/C=C1/C(=O)N(c2cccc(OC)c2)C(=O)c2ccccc21 16778411 DKBPVBBKVCYSGX-SFQUDFHCSA-N 323.348 3.260 0 40 DGAB COc1ccc(CC(=O)Nc2cccc(C(C)=O)c2)c(OC)c1 8304051 HZHLJIOTLRVGNE-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB O=C(NCc1ccco1)N1CCO[C@H](c2ccccc2Cl)C1 69586933 RSPYXLOLGXICEL-HNNXBMFYSA-N 320.776 3.216 0 40 DGAB CCc1cc2c(=O)n(Cc3ccc(OC)c(F)c3)cnc2s1 8726125 WPPQPQJWOGREHH-UHFFFAOYSA-N 318.373 3.216 0 40 DGAB Cc1cccc(C(=O)N2CCN(Cc3ccccc3)CC2)c1C 25562425 QQZXRDFNDIJYPO-UHFFFAOYSA-N 308.425 3.261 0 40 DGAB CCCCCNC(=O)C(=O)Nc1nc(-c2ccccc2)cs1 8994191 XKCZKHCNQOUJEI-UHFFFAOYSA-N 317.414 3.055 0 40 DGAB Cc1cccc(Cl)c1NC(=O)N[C@H]1CCc2[nH]ncc2C1 97095231 IIHFVZGCOSOBSW-NSHDSACASA-N 304.781 3.051 0 40 DGAB CC(C)c1ccc2c(c1)[C@H](NC(=O)CCc1nc[nH]n1)CCC2 95447633 IGRRRZCNZMPLJO-MRXNPFEDSA-N 312.417 3.055 0 40 DGAB CC(=O)c1csc(C(=O)N[C@H](C)CC(=O)c2cccs2)c1 95979618 OEFAKIGSXVTBAI-SECBINFHSA-N 321.423 3.404 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)N1CCC[C@H](C(F)(F)F)C1 89598101 JSJFLRKJMUGRMR-QMMMGPOBSA-N 320.340 3.222 0 40 DGAB Cc1cc(C)cc(NC(=O)CN(Cc2ccncc2)C2CC2)c1 89585371 XFYNBVUUHFVMRH-UHFFFAOYSA-N 309.413 3.302 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)N(C)CCc2ccncc2)c1 75140266 ZAKDCFWRUYOKLT-UHFFFAOYSA-N 323.440 3.305 0 40 DGAB Cc1ccc(Oc2ccc(N[C@H](C)C(=O)NC3CC3)cc2)nc1 89652315 MOYSAGLVZLCXTA-CYBMUJFWSA-N 311.385 3.261 0 40 DGAB O=C(C1CCCCCC1)N1CCn2c(nnc2-c2ccccc2)C1 75379049 BZRPTYMPTPFOED-UHFFFAOYSA-N 324.428 3.258 0 40 DGAB CC1(NC(=O)Nc2cccc(N3CCOC3=O)c2)CCCCC1 89919278 NWEZTZGTZZQINT-UHFFFAOYSA-N 317.389 3.488 0 40 DGAB O=C(COc1cccnc1)N[C@@H]1[C@@H]2CCC[C@H]2[C@@H]1c1ccccc1 409412770 BMHZSLIFIFQJAZ-IZBJGVDFSA-N 322.408 3.159 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccco1)N(CC(F)(F)F)c1ccccn1 60350757 SMJBGRBMHWYIAT-WDEREUQCSA-N 310.275 3.374 0 40 DGAB CNC(=O)NC(=O)CCSCc1ccc(C(C)(C)C)cc1 36392404 XDJGAFTXJLXWRG-UHFFFAOYSA-N 308.447 3.063 0 40 DGAB Cc1nn(C)c(C)c1[C@H](C)NCc1cnn(-c2ccccc2)c1 78553214 MQKWIOJPAVACPS-ZDUSSCGKSA-N 309.417 3.073 0 40 DGAB COc1ccc(S(=O)(=O)Nc2c(C)cccc2C)cc1C 32586615 YRMYGIMIFHJCHT-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CC(=O)N1CCC[C@@H]1c1nccnc1-c1ccc(F)c(F)c1 72365105 HMTDRRNTYUEKBG-CQSZACIVSA-N 303.312 3.105 0 40 DGAB Oc1ccc(-c2nc3cnccn3c2NCc2ccco2)cc1 72341864 QKXCUOGBHVYNDY-UHFFFAOYSA-N 306.325 3.307 0 40 DGAB C[C@H]1CN(C(=O)c2ccc(SC(F)(F)F)cc2)CCO1 40024239 YWHKLFPUCIYSDA-VIFPVBQESA-N 305.321 3.159 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1cc(Cl)c(Cl)n1C 48576802 NIBQHXBSACUTHC-UHFFFAOYSA-N 313.184 3.310 0 40 DGAB Cc1cc(C)c(C(=O)NCCCN2CCC(C)CC2)cc1C 225645975 UNSYDAAQBVNALP-UHFFFAOYSA-N 302.462 3.464 0 40 DGAB Cc1ccc(C)c([C@H](C)NC(=O)[C@@H]2COc3ccccc3O2)c1 42671491 ARZKQSWHPBJYDL-KSSFIOAISA-N 311.381 3.321 0 40 DGAB COc1ccc2c(c1)CN(C1CCCC1)CC[C@H]1COC(=O)N21 225492002 JOEQEOIELNWOOK-HNNXBMFYSA-N 316.401 3.169 0 40 DGAB biogenic,in-vitro Cc1nc(C)c(-c2nnc(SCCOCC(F)F)o2)s1 225439569 QABMWXLFHQNIOY-UHFFFAOYSA-N 321.374 3.184 0 40 DGAB Cc1n[nH]c(C)c1CNc1ccc(Cl)c(C[S@](C)=O)c1 195559058 JLOWLGGBNLMGAX-FQEVSTJZSA-N 311.838 3.171 0 40 DGAB CO[C@H]1CCCCC[C@H]1NC(=O)c1csc([C@@H]2CCCO2)n1 96484886 BZHZBXULXUEXPU-XBFCOCLRSA-N 324.446 3.072 0 40 DGAB C[C@@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)CCO1 96435446 HLYDWBBLEDZNCW-SNVBAGLBSA-N 302.296 3.044 0 40 DGAB CC[C@H](C)Oc1cc(C(=O)N[C@@H](C)c2c(C)noc2C)ccn1 97231474 FLEDSSRCAMJTGE-QWRGUYRKSA-N 317.389 3.355 0 40 DGAB CCN(Cc1ccccn1)C(=O)NC[C@@H](C)c1cccs1 96460164 QUUSPIKKJYDKMU-CYBMUJFWSA-N 303.431 3.478 0 40 DGAB Cc1ccc([C@@](C)(O)CNC(=O)Nc2nc(C(C)C)cs2)o1 96433831 IYAHLDZXACKTRH-HNNXBMFYSA-N 323.418 3.197 0 40 DGAB COc1ccc(-c2ccnc3nc(C4CCC4)nn23)cc1OC 95477697 OUFHNUVLYISYCU-UHFFFAOYSA-N 310.357 3.076 0 40 DGAB CSc1ccc(NC(=O)NCCc2ccccn2)cc1F 96435402 JRWVJSYJNDEBTJ-UHFFFAOYSA-N 305.378 3.307 0 40 DGAB c1ccc(CO[C@@H]2COC3(CCN(CC4CC4)CC3)C2)cc1 96047869 RFQLHTKSRPYUMG-SFHVURJKSA-N 301.430 3.237 0 40 DGAB Cc1cccc(CN2CCC(NC[C@H]3CCC=CO3)CC2)c1 252482638 DLMIIRSIVIZMFX-LJQANCHMSA-N 300.446 3.242 0 40 DGAB COc1cc(CNCc2ccc(F)s2)cc(OC)c1OC 256052839 OWKJCPYDCSWGQK-UHFFFAOYSA-N 311.378 3.203 0 40 DGAB O=C(c1cc(Cl)ccn1)N(CC(F)(F)F)c1ccccn1 71853676 JSLDCZBTPGQNKV-UHFFFAOYSA-N 315.682 3.339 0 40 DGAB CC(C)C(=O)N1CCC[C@H](c2nnc(-c3cccs3)o2)C1 38666451 FJUAWRNBAMVRAV-NSHDSACASA-N 305.403 3.160 0 40 DGAB CSC1=NN(C(C)=O)[C@H](c2ccc3ccccc3n2)S1 5487885 HEOJSIMNWJWQDZ-ZDUSSCGKSA-N 303.412 3.463 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2cccnc2Cl)cc1 14258403 JYXRLMMMZIGKSV-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB C[C@@H]1OC(c2cc3c(cc2Br)OCO3)O[C@@H]1C 17288326 ZOXAMEBQJPJRGY-KUCMFXTFSA-N 301.136 3.000 0 40 DGAB O[C@H](CCN=c1[nH]cnc2ccc(Cl)cc12)c1ccsc1 1888947685 ASFIIBUDFDBDRV-CQSZACIVSA-N 319.817 3.302 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ncc(Cl)cc2F)C1 1889098684 PQMNOPPGNVZFJN-LBPRGKRZSA-N 307.756 3.235 0 40 DGAB Cc1nccn1Cc1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 24756478 JQAWUWHZFIMDRA-MRXNPFEDSA-N 309.413 3.212 0 40 DGAB Cc1cn2c(CC(=O)Nc3cc(F)cc(F)c3)csc2n1 24993616 KCFJNQHTQDPCEB-UHFFFAOYSA-N 307.325 3.164 0 40 DGAB O=S(=O)(Nc1ccccc1O)c1cc(Cl)ccc1Cl 4618407 VAOVPOYKUJTBFM-UHFFFAOYSA-N 318.181 3.500 0 40 DGAB COc1ccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc1 4275950 WCBCUAYXAYVFOZ-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1nn(CCNC(=O)c2ccsc2)c(C)c1-c1ccco1 575614840 KFQCZQCKQIVXFO-UHFFFAOYSA-N 315.398 3.251 0 40 DGAB c1ccc2c(N3CCC[C@H](COc4cnccn4)C3)ccnc2c1 2298224358 YKZDQLWKMGTNNV-HNNXBMFYSA-N 320.396 3.320 0 40 DGAB Cc1ccc(F)cc1NC(=O)CN1CCc2sccc2C1 40033626 HTWRZUYDXRTNAP-UHFFFAOYSA-N 304.390 3.192 0 40 DGAB CN(C(=O)NCc1ccccc1-n1ccnc1)C(C1CC1)C1CC1 51280335 QPMIXQRHOXGJKS-UHFFFAOYSA-N 324.428 3.202 0 40 DGAB CC(=O)c1csc(NC(=O)CCc2ccc(F)c(F)c2)n1 31890389 QVFKJCPLLGQWTR-UHFFFAOYSA-N 310.325 3.195 0 40 DGAB CC(C)OCCCNC(=O)Nc1ccccc1Br 40525285 MJJGMDXTYNLLMF-UHFFFAOYSA-N 315.211 3.386 0 40 DGAB C[C@@H]1[C@@H](NC(=O)COC(=O)c2ccc(Cl)cc2)CCC[C@H]1C 102211644 CHEXVYIUURWCFG-XUJVJEKNSA-N 323.820 3.438 0 40 DGAB Cn1ncc2c(N3CCC[C@H]3c3ccc(Cl)cc3)ncnc21 32779311 PCXKCMUMJRVDGM-AWEZNQCLSA-N 313.792 3.358 0 40 DGAB Cc1nn(C)c2nc(C(C)C)cc(C(=O)Nc3ccccc3O)c12 32901021 WWAIAVGEOYINQX-UHFFFAOYSA-N 324.384 3.358 0 40 DGAB CN(Cc1ccccc1Br)Cc1occc1C(=O)O 42307845 LRIMIBHZVPIJSV-UHFFFAOYSA-N 324.174 3.372 0 40 DGAB Cc1cc(C)n(-c2nnc(-n3nc(C)cc3C)c3ccccc23)n1 1560822 VUMXZAJZOBWCAY-UHFFFAOYSA-N 318.384 3.235 0 40 DGAB CCOc1ncccc1C(=O)OCC(=O)c1ccc(C)c(C)c1 3228961 FJKJTRQSDOXALG-UHFFFAOYSA-N 313.353 3.137 0 40 DGAB CC[C@@H](C)NS(=O)(=O)c1ccc(OC)c(Cl)c1Cl 3314934 DCWACZOALPWDNU-SSDOTTSWSA-N 312.218 3.079 0 40 DGAB Cc1ccc(C)c(NC(=O)COC(=O)c2ccc(C)s2)c1 3384812 JUMRTDWNESBNEA-UHFFFAOYSA-N 303.383 3.469 0 40 DGAB Cc1ccccc1OCc1nnc2sc(-c3cccnc3)nn12 4540243 IRVLITPCKIEICL-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB Cc1ccc(NC(=O)CNNc2nc3ccccc3s2)cc1 4727939 QTYLEEAKKCNOLK-UHFFFAOYSA-N 312.398 3.160 0 40 DGAB CCC(CC)C(=O)Nc1nonc1-c1ccc(OC)c(OC)c1 5428997 JLRZJRZXJBYGDY-UHFFFAOYSA-N 319.361 3.129 0 40 DGAB CCCCOc1ccc(C(=O)OC[C@@H](CC)NCCC)cc1N 5838157 AXMDYMYZWTVDCF-OAHLLOKOSA-N 322.449 3.383 0 40 DGAB CCc1sc(C(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1C 6599723 PUXVDXRWDATUAD-UHFFFAOYSA-N 323.439 3.275 0 40 DGAB COc1ccccc1CNC(=O)CCn1ccc2ccccc21 8136228 BELXDOXXWMJOMD-UHFFFAOYSA-N 308.381 3.356 0 40 DGAB C[C@H](C(=O)Nc1ccc(F)c(F)c1F)N(C)Cc1ccco1 8197581 XTDAOFUBDVFHAE-SECBINFHSA-N 312.291 3.156 0 40 DGAB O=C(CCc1nc(-c2cccs2)no1)Nc1ccccc1O 9609857 CGFWARYUGCDFHC-UHFFFAOYSA-N 315.354 3.075 0 40 DGAB C=Cn1cc(CN(C)Cc2cc(O)nc3ccccc23)c(C)n1 12188416 CTDPCOFXIJZIMO-UHFFFAOYSA-N 308.385 3.178 0 40 DGAB COc1ccc(-n2cnn(CN3CCC[C@H](C)C3)c2=S)cc1 12534147 RZLYSNYVHNPQGH-ZDUSSCGKSA-N 318.446 3.101 0 40 DGAB Cc1cccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)c1 12621928 FZBAQXLHPIVSPG-CYBMUJFWSA-N 324.380 3.286 0 40 DGAB Cc1ccc2c(c1)CCCN2S(=O)(=O)c1ccc(F)c(F)c1 12774303 BEORFDWDDYASOM-UHFFFAOYSA-N 323.364 3.415 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)C3CCCC3)sc2c1 12795060 MQSDQFNCUJSRTJ-UHFFFAOYSA-N 303.387 3.383 0 40 DGAB COc1ccc(-c2cc(C(=O)N3C[C@@H](C)C[C@@H](C)C3)[nH]n2)cc1 13366625 BYEJUYVFMBRMII-BETUJISGSA-N 313.401 3.203 0 40 DGAB O=C(O)c1cc2c([nH]c3ccccc32)c(-c2ccc(CO)o2)n1 15216617 USBWYUYKHHILLZ-UHFFFAOYSA-N 308.293 3.167 0 40 DGAB endogenous,in-man C[C@@H]1CN(c2nc(-c3ccccn3)cc3ncccc23)C[C@@H](C)O1 19497613 KWWHUARTWMWXLZ-ZIAGYGMSSA-N 320.396 3.305 0 40 DGAB COCC(=O)N1CCC[C@H]1c1cc(-c2ccccc2)cc(C)n1 19690744 ZBOODBJJNPODOC-SFHVURJKSA-N 310.397 3.367 0 40 DGAB COc1ccc(CCn2cncc2-c2cn(C)nc2C)cc1C 19719457 HZESECVOSDVFRM-UHFFFAOYSA-N 310.401 3.152 0 40 DGAB Cc1cc(C)cc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)c1 19937212 CHUBZVYCVVLHNA-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB CCCc1nnc(SCC(=O)N(C)c2ccccc2)n1CC 20034034 BSPXEDZSXUKWCO-UHFFFAOYSA-N 318.446 3.006 0 40 DGAB C[C@@H](CC(=O)Nc1ccc(OCC(=O)O)cc1)c1ccccc1 20096637 KDOXGSOWVZEHFW-ZDUSSCGKSA-N 313.353 3.282 0 40 DGAB Cc1ccc(OC(=O)CCCn2c(=O)oc3ccccc32)cc1 22914033 LUNBKDAPJDDTNR-UHFFFAOYSA-N 311.337 3.289 0 40 DGAB O=C(Nc1ccccc1N1CCCC1)[C@@H]1Cc2ccccc2O1 24981778 HYIAYOUERBTSHI-SFHVURJKSA-N 308.381 3.229 0 40 DGAB CCn1cc(C(=O)Nc2cc(C(F)(F)F)ccc2F)cn1 28226683 DLKOEBUXMYUXGB-UHFFFAOYSA-N 301.243 3.313 0 40 DGAB CCn1nc(C)c(CN(C)C(=O)[C@H]2C[C@@H]2c2ccccc2)c1C 28573426 IOEJHMCIOPLYLH-SJORKVTESA-N 311.429 3.282 0 40 DGAB COc1ccc(NC(=O)N2CCN=C2Cc2ccccc2)cc1 32610667 MMGBENIFWDLZJW-UHFFFAOYSA-N 309.369 3.184 0 40 DGAB CCN(Cc1nonc1C)C(=O)c1ccc(C(C)(C)C)cc1 32611105 SKPRQQNYFZUZGO-UHFFFAOYSA-N 301.390 3.338 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)N1CCCC[C@@H]1C 32648176 CREWJHMCTYRKOU-ONGXEEELSA-N 303.328 3.172 0 40 DGAB C[C@H](NC(=O)CCN1CCSC1=O)c1ccc(Cl)cc1 32787390 DUALNBNYUTZUEY-JTQLQIEISA-N 312.822 3.076 0 40 DGAB CC(C)NC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn12 35078109 LSUOFOZXCAXECK-UHFFFAOYSA-N 306.365 3.314 0 40 DGAB Cc1nnc(COC(=O)c2ccc(C3SCCS3)cc2)o1 39571639 OPTUTFQRSADASK-UHFFFAOYSA-N 322.411 3.214 0 40 DGAB CCCCCNC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl 40526429 JLWLICCBNZWDRK-UHFFFAOYSA-N 318.826 3.055 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1ccccn1)CO2 40540138 LHZIVEOOZRERFH-ZDUSSCGKSA-N 324.380 3.134 0 40 DGAB O=C(NCCNc1nc2ccccc2o1)c1ccccc1Cl 42107895 BEXBZHCXLXFASX-UHFFFAOYSA-N 315.760 3.323 0 40 DGAB COCC(=O)Nc1ccc(NC(=O)N[C@H](C)CCC(C)C)cc1 44123954 FKAZIVGJWLICQT-CYBMUJFWSA-N 321.421 3.218 0 40 DGAB Cc1cc(N)cc(C)c1NC(=O)c1cncc(Br)c1 45889970 KFMIJQJDDSKPPN-UHFFFAOYSA-N 320.190 3.295 0 40 DGAB CCCN(CC1CC1)C(=O)Nc1ccc(C(=O)NCC)cc1C 48108962 AIHZWKKAAZFVIF-UHFFFAOYSA-N 317.433 3.399 0 40 DGAB c1ccc2cc(OCCSc3nc4ncccn4n3)ccc2c1 48325482 SAPWGCMGHVBJOU-UHFFFAOYSA-N 322.393 3.449 0 40 DGAB Cn1ccc(CN[C@@H](c2ccc(Cl)cc2)C2CC2)cc1=O 52515286 QNSOSDTUPMPGJT-QGZVFWFLSA-N 302.805 3.280 0 40 DGAB CCCSCC(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 58281963 ZXIPEPWEEUYKCV-JTQLQIEISA-N 323.393 3.196 0 40 DGAB Cc1nn(C)c(C)c1C(=O)NCC(C)(C)c1cccc(Cl)c1 58367838 QDTIWXVZYHTKJZ-UHFFFAOYSA-N 319.836 3.398 0 40 DGAB COc1ccccc1CC(=O)N1CCc2ccc(Cl)cc21 58724007 JQYSAPPFXYUNFY-UHFFFAOYSA-N 301.773 3.480 0 40 DGAB CCOCCOc1c(Cl)cccc1NC(=O)N1CCCC1 63321278 CZTYCGYXMVEDOL-UHFFFAOYSA-N 312.797 3.383 0 40 DGAB CCn1c(CSc2nncn2C2CC2)nc2c(F)cccc21 69589826 FGCYGJSDNHTLCV-UHFFFAOYSA-N 317.393 3.414 0 40 DGAB CCSCCN1CCC(C(=O)Nc2ccc(F)cc2)CC1 70012158 SJEZIETZGHCXHV-UHFFFAOYSA-N 310.438 3.229 0 40 DGAB c1ccc2oc([C@@H]3CCCN(Cc4nnc(C5CC5)o4)C3)nc2c1 71824714 UDTWNVWBPKSZHN-CYBMUJFWSA-N 324.384 3.468 0 40 DGAB Cc1cc(NC(=O)Nc2ccc(-n3ccnc3)c(Cl)c2)no1 71893109 XEODVKFYVNRNAD-UHFFFAOYSA-N 317.736 3.466 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)NCc1cccc(-n2cccn2)c1 71910278 DBOJPDPNIIGBMA-CQSZACIVSA-N 324.384 3.368 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2cncc(Br)c2)CC1 72344011 KRSMNGQSGPGZTR-GFCCVEGCSA-N 311.223 3.035 0 40 DGAB COc1ccccc1N1CCN(Cc2cnc(Cl)s2)CC1 75094663 SOHMYIZOEYAHTP-UHFFFAOYSA-N 323.849 3.127 0 40 DGAB COc1ccccc1NC(=O)N(CCN(C)C)C1CCCC1 75119315 PYXKXZPCXCDBKY-UHFFFAOYSA-N 305.422 3.033 0 40 DGAB Cc1cc([C@@H]2CCCN2c2nc3ccccc3cc2CO)no1 77911461 DARDIPBVWUOPMZ-KRWDZBQOSA-N 309.369 3.365 0 40 DGAB COCC(=O)Nc1cccc(NC(=O)C=C2CCC(C)CC2)c1 79350854 BWOZLFQZLRINSN-UHFFFAOYSA-N 316.401 3.347 0 40 DGAB O=C([C@@H]1SCCc2sccc21)N1CCc2cnccc21 80363915 YUJLUMNTLKCJFX-CQSZACIVSA-N 302.424 3.063 0 40 DGAB CCOc1cc(-c2nc(COc3ccccc3)n[nH]2)ccc1O 85384566 BESZCBBIVTVQJE-UHFFFAOYSA-N 311.341 3.155 0 40 DGAB CCc1csc(NC(=O)N(C)Cc2cc(Cl)cn2C)n1 89289687 VHWWDGBHWMJKIV-UHFFFAOYSA-N 312.826 3.361 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CC[C@@]3(O)CCCC[C@@H]3C2)c(C)c1 89612048 FYCYRJWRIVBYRO-ZZHWGSSASA-N 313.441 3.470 0 40 DGAB CC(C)(C)CC(=O)N1CCC(C(=O)O)(c2ccccc2)CC1 89642980 OJMWBQFUQRNITL-UHFFFAOYSA-N 303.402 3.068 0 40 DGAB Cc1nnc(-c2cccc(C(=O)OCCCc3ccncc3)c2)o1 89736416 LZXMZKQFZAUGCI-UHFFFAOYSA-N 323.352 3.230 0 40 DGAB COC(=O)c1oc([C@H](C)N2CCO[C@H](c3ccco3)C2)cc1C 91590787 SVOMTXUIOFUSFS-WFASDCNBSA-N 319.357 3.102 0 40 DGAB Cc1cccc2c(CC(=O)N(c3cnn(C)c3)C(C)C)c[nH]c12 95400429 JBUKMDFAUAYWAY-UHFFFAOYSA-N 310.401 3.194 0 40 DGAB COc1ccccc1C[C@H](C)NC[C@](C)(O)c1cccs1 95422979 CYQOCFTVMMNHBL-GUYCJALGSA-N 305.443 3.185 0 40 DGAB Nc1ccccc1-c1nc(=O)c(/C=C/C=C/c2ccccc2)n[nH]1 95944222 QQJUCIZYKRNYEG-GODDPXKCSA-N 316.364 3.141 0 40 DGAB Cc1cc(C(=O)N(C2CC2)C2Cc3ccccc3C2)ccc1N 95972149 GKLGQJDQLKWQDV-UHFFFAOYSA-N 306.409 3.349 0 40 DGAB Cc1nccn1CC(=O)Nc1nc(-c2cccs2)cs1 95990943 RYVSDPFFWYDNDM-UHFFFAOYSA-N 304.400 3.015 0 40 DGAB CC(C)OCc1ncn2c1CN(Cc1ccc(F)cc1)CCC2 96059049 ZOEDVAQNGWJFOO-UHFFFAOYSA-N 317.408 3.353 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cc(F)ccc2N2CCCCC2)CCO1 96403460 HTRGHCVFECNGSG-CYBMUJFWSA-N 321.396 3.069 0 40 DGAB CS[C@@H]1CCC[C@@H](NC(=O)c2cc(NC(C)=O)ccc2F)C1 96409421 PDOHTOVPFVAZRC-DGCLKSJQSA-N 324.421 3.188 0 40 DGAB CCCCSCCC(=O)N1CCC(Nc2cccnc2)CC1 96416985 HFDDTKZGOCHWLS-UHFFFAOYSA-N 321.490 3.408 0 40 DGAB C[S@](=O)C[C@H](NC(=O)C1CCCCCC1)c1ccccc1 96445536 KVMZFWDVBRSLQE-HRAATJIYSA-N 307.459 3.193 0 40 DGAB CSc1ccc(NC(=O)NCc2nccn2C)cc1Cl 96447280 QWVUPCULMFJOFN-UHFFFAOYSA-N 310.810 3.117 0 40 DGAB COC(=O)COc1cc(NCc2ncc(C)o2)c(Cl)cc1C 96476037 VUFDKUJVJHMYPC-UHFFFAOYSA-N 324.764 3.109 0 40 DGAB O=C(O)CC[C@@H]1CCCCN1C(=O)c1coc2ccccc12 97001976 BLMREVPZJUKPNR-LBPRGKRZSA-N 301.342 3.292 0 40 DGAB Cc1cccc([C@H](NC(=O)Nc2cnn(C)c2)C(F)(F)F)c1 97080833 WMDCOPFRJVIRMS-LBPRGKRZSA-N 312.295 3.154 0 40 DGAB CCC(CC)[C@H]1C[C@@H](NC(=O)c2sc(C)nc2C)CCO1 97232829 DCIFEUOLFKJIEE-UONOGXRCSA-N 310.463 3.474 0 40 DGAB OCC1CCN(c2ccccc2N[C@@H]2CCCSC2)CC1 97371115 XMBWRSNBPAWOGC-OAHLLOKOSA-N 306.475 3.203 0 40 DGAB Cc1noc(C)c1[C@@H](C)CC(=O)N[C@@](C)(CO)C1CCCCC1 97377654 CVNAWMHPAJTDAW-SGTLLEGYSA-N 322.449 3.233 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cccc3cccnc13)OC2=O 100261039 IIQXVRNRNHOADW-OALUTQOASA-N 324.380 3.295 0 40 DGAB CC(C)(Oc1ccc(Cl)cc1)C(=O)N1[C@H]2CCC[C@H]1COC2 101328556 YOHWAPICGRWOLD-KBPBESRZSA-N 323.820 3.277 0 40 DGAB COc1cc([C@@H]2CC(=O)c3ccccc3N2)cc(OC)c1OC 169965436 NHZCQZXZVZYDNB-AWEZNQCLSA-N 313.353 3.452 0 40 DGAB Cc1cccc([C@H](C)CNC(=O)N[C@@H]2CCO[C@@H](C3CC3)C2)c1 195564781 NYESLHFLQXTGSB-ZTFGCOKTSA-N 316.445 3.355 0 40 DGAB CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1sccc1C 222768633 SFIIYTIJKPLXJI-OLZOCXBDSA-N 303.456 3.444 0 40 DGAB COc1cccc(C[C@@H](Oc2ccccc2Cl)C(=O)O)c1 225098951 AJMQVQDSZHVKID-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB S=C(NCc1cccnc1)Nc1ccc2sncc2c1 225172838 BHOJJFBKJBYTEW-UHFFFAOYSA-N 300.412 3.178 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=O)Cc1ccccc1F 225448462 QTBHFASZZLWKCL-INIZCTEOSA-N 306.425 3.139 0 40 DGAB COc1ccc(NC(=S)NCCCc2ccco2)c(OC)c1 225804532 MUNPQTNVLYLCSZ-UHFFFAOYSA-N 320.414 3.216 0 40 DGAB CCN(CC)c1ccc(N)cc1NC(=O)c1ccccc1OC 226261460 VCUKIONARFYZHU-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB COC(=O)[C@@]1(NC(=O)OC(C)(C)C)CC[C@H]1Cc1ccccc1 242437251 BVDCGWOBJZAZMI-KBXCAEBGSA-N 319.401 3.076 0 40 DGAB O=C(N[C@H]1CC[C@H](Oc2ccccn2)CC1)[C@@H]1CC=CCC1 252571007 XOAAGOZYMSLVTM-BZUAXINKSA-N 300.402 3.244 0 40 DGAB CCc1cc(C(=O)N2CCC(C)(c3ncc(C)s3)CC2)no1 257218472 DDGLCEDMFCVMRV-UHFFFAOYSA-N 319.430 3.196 0 40 DGAB Cc1cn[nH]c1C[C@@H]1CCCN(Cc2nc3ccccc3n2C)C1 257288364 PTXSQYRUBCOKCK-HNNXBMFYSA-N 323.444 3.060 0 40 DGAB O=C(c1ccnc(-c2cncs2)c1)N1CCc2ccccc2C1 257329088 XIIMYLPVJWWYNW-UHFFFAOYSA-N 321.405 3.404 0 40 DGAB CCOc1ccc(N(Cc2ccc(C)cc2)S(C)(=O)=O)cc1 408627517 NKTXQUQQNSSYCO-UHFFFAOYSA-N 319.426 3.360 0 40 DGAB CC(=O)Nc1c(OCc2cc(C)no2)n(C)c2c(C)cccc12 551983129 YRXLKBZRASRHTF-UHFFFAOYSA-N 313.357 3.321 0 40 DGAB O=C(Nc1ccnc(-c2ccccc2)c1)N1CCC[C@H]1CCO 562368645 PRQHVQHOAJGGNI-INIZCTEOSA-N 311.385 3.127 0 40 DGAB Cc1ccc(CN2CC3(C2)OCC[C@H]3CCOCC2CC2)s1 585103588 YGRBYUYPXDFGCR-MRXNPFEDSA-N 321.486 3.464 0 40 DGAB CSC[C@H](C)c1nc(-c2ccncc2Br)no1 585120282 DICNEQQTWDFXSM-ZETCQYMHSA-N 314.208 3.361 0 40 DGAB CC(C)N(C)Cc1nc(-c2sccc2Br)no1 585120333 IFDRXEQPQVPQIN-UHFFFAOYSA-N 316.224 3.401 0 40 DGAB Cc1nc2ccccc2c(=O)n1CC1CCN(CC(C)C)CC1 1849136959 DZCCKGUFWOIXGC-UHFFFAOYSA-N 313.445 3.073 0 40 DGAB Cc1ccc2c(c1)[C@@]1(CCN(C(=O)c3cc(C4CC4)on3)C1)CO2 2055793317 ONNZIDGHDZEUJW-LJQANCHMSA-N 324.380 3.037 0 40 DGAB COc1cc(C=O)ccc1OCC(=O)Nc1ccc(C)c(C)c1 278502 INMRNHIDFFSCKU-UHFFFAOYSA-N 313.353 3.142 0 40 DGAB O=C(CSc1nc2ccccc2o1)NCCc1ccccc1 294018 OIUPGABHIIJMNW-UHFFFAOYSA-N 312.394 3.279 0 40 DGAB CC(C)(C)C(=O)Nc1ccc(N2C(=O)c3ccccc3C2=O)cc1 512965 PPJIWPASQGEHPZ-UHFFFAOYSA-N 322.364 3.472 0 40 DGAB COc1cccc(-c2cc3ccc(OC(C)=O)cc3oc2=O)c1 1747929 YDQUSRUQFABOBQ-UHFFFAOYSA-N 310.305 3.394 0 40 DGAB biogenic CCOC(=O)C(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 2387811 JVYSHMWTBQPDAB-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB CC(C)c1ccccc1NC(=O)COC(=O)c1ccc(N)cc1 3262126 JVPYDQVRNQUCMJ-UHFFFAOYSA-N 312.369 3.188 0 40 DGAB CCN(CC)C[C@H](C)OC(=O)c1cccc(Br)c1 3314824 ACFLOIFUNORNFY-NSHDSACASA-N 314.223 3.336 0 40 DGAB CC(=O)Nc1cccc(NC(=O)COc2ccc(Cl)cc2)c1 3608703 LXXCTQFCFLVCTO-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB COc1ccc2nc(N(Cc3cccnc3)C(C)=O)sc2c1 4273164 ABLIHXMGYPLLKG-UHFFFAOYSA-N 313.382 3.253 0 40 DGAB Cc1ccc([C@@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4944160 WROABYOLRQWNDF-HNNXBMFYSA-N 319.360 3.288 0 40 DGAB CC[C@H](CCNC(=O)c1cccs1)NC(=O)c1cccs1 6555356 QENAEAMNLDZFKC-LLVKDONJSA-N 322.455 3.138 0 40 DGAB COc1ccc(-c2c(N)oc3c(C)cccc3c2=O)cc1OC 6760074 DQRGKPRGTVGLAL-UHFFFAOYSA-N 311.337 3.368 0 40 DGAB COc1cc(SC)ccc1C(=O)Nc1nnc(C2CC2)s1 6847809 ADMZZHPRQLPCBO-UHFFFAOYSA-N 321.427 3.398 0 40 DGAB Cc1nc2cc(NC(=O)COc3cccc(F)c3)ccc2o1 7036603 VEGJKBXBNACDFY-UHFFFAOYSA-N 300.289 3.293 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)Nc1ccccc1OC 7042073 DDTPQJKBVAIDGU-LBPRGKRZSA-N 300.358 3.143 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2ccccc2C)cc1C 7070463 FPJFECQRPDUXOT-UHFFFAOYSA-N 310.397 3.370 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccccc1F 7375951 PVDOMPLBCMJSNP-OAHLLOKOSA-N 305.374 3.182 0 40 DGAB Cc1ccc(/C=C/C(=O)Nc2ccc3c(c2)NC(=O)[C@H](C)O3)cc1 8014596 QIXMENKRRJUNOQ-RSPDNQDQSA-N 322.364 3.366 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2cccc(Cl)c2)C1 10542847 VAHGQBRGGDWMFM-KBPBESRZSA-N 308.853 3.438 0 40 DGAB Cc1ccc(NC(=O)CCc2ccc3c(c2)OCCO3)cc1F 10755186 HZRALBZKKBCGPS-UHFFFAOYSA-N 315.344 3.477 0 40 DGAB COC(=O)c1ccc(C(=O)N[C@@H](c2ccccc2)C2CC2)cc1 11210688 QZDBHPUITNOYKJ-KRWDZBQOSA-N 309.365 3.354 0 40 DGAB COCCN(Cc1cccs1)C(=O)Nc1ccccc1OC 11562295 RAOQQZASUWCJMW-UHFFFAOYSA-N 320.414 3.437 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(NC(=O)C3CC3)cc2)c1 12435713 XXVQVQGXJPZAQS-UHFFFAOYSA-N 324.380 3.361 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(Cn3cccn3)cc2)cc1 12626001 GOIXTQRSTMRRLL-UHFFFAOYSA-N 305.381 3.170 0 40 DGAB COc1ccccc1OCC(=O)Nc1ccc2oc(C)nc2c1 12731181 NBACKCMONBPHOL-UHFFFAOYSA-N 312.325 3.162 0 40 DGAB COc1ccc(C(=O)C2CCN(C(=O)c3ccoc3)CC2)cc1 12742116 XNEZLHKAMGPUPF-UHFFFAOYSA-N 313.353 3.023 0 40 DGAB Cc1ccc(-c2nnc([C@@H](C)N3C[C@H](C)O[C@H](C)C3)o2)cc1 13164098 VMKDHCXPMCCRML-HZSPNIEDSA-N 301.390 3.215 0 40 DGAB CCOc1ccccc1-n1c(SCC(C)C)nc(O)cc1=O 13957314 XNUSONHNOFSFST-UHFFFAOYSA-N 320.414 3.085 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)OCC(=O)c2ccc(C)cc2)c1C 14158880 NJOYNQBERAAMLT-UHFFFAOYSA-N 313.353 3.182 0 40 DGAB Cc1ccc(C(=O)NC(=S)NNc2ccccc2)c(Cl)c1 14257566 NDXWZZLPJFLZNK-UHFFFAOYSA-N 319.817 3.280 0 40 DGAB CCc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)cc1 17053398 VVTYZBMMOYMALJ-ULSVASMSSA-N 315.413 3.173 0 40 DGAB CCc1cc(S(=O)(=O)NC2CCCCCC2)ccc1OC 19909604 SCTZPWRTRACQQC-UHFFFAOYSA-N 311.447 3.259 0 40 DGAB Cn1cc(C(=O)Nc2ccc(F)cc2F)c(=O)c2ccccc21 22234148 QLJJQGHSFBODQM-UHFFFAOYSA-N 314.291 3.069 0 40 DGAB COc1cc(CN[C@H](C)c2cccs2)cc2c1OCCO2 22778711 MCPOEZKNAFMOIH-LLVKDONJSA-N 305.399 3.379 0 40 DGAB COc1ccc(C(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc1 24588400 HMXAODMJUQMOMI-UHFFFAOYSA-N 322.368 3.145 0 40 DGAB C[C@H](C(=O)NCCC1=CCCCC1)N1CCc2ccccc2C1 25447708 DCDUXUASWBJUNR-MRXNPFEDSA-N 312.457 3.440 0 40 DGAB COc1cc2c(cc1OC)C(=O)N(C)[C@@H](c1cccc(F)c1)N2 30540717 XLBVXTSLWJEGSD-INIZCTEOSA-N 316.332 3.039 0 40 DGAB CCOC(=O)COc1cccc(NC(=O)c2ccc(F)cc2)c1 32035075 XKRHWADUEKLKDD-UHFFFAOYSA-N 317.316 3.020 0 40 DGAB CC(=O)Nc1ccc(CC(=O)N(C)[C@H]2CCc3ccccc32)cc1 32905305 BKMWUDLRJSVLRU-IBGZPJMESA-N 322.408 3.333 0 40 DGAB CCNC(=O)C1(NC(=O)CCCc2cccs2)CCCCC1 36397431 ISBJSLLKRCLOOM-UHFFFAOYSA-N 322.474 3.026 0 40 DGAB Cc1c(C(=O)N2CCC[C@H]2C(=O)O)sc2cccc(F)c12 37435099 YBPGNCLBIIWKLM-JTQLQIEISA-N 307.346 3.038 0 40 DGAB COc1cn(-c2ccc(F)cc2)nc1C(=O)N1CCCCCC1 38500517 PXLCVSMLQJLPCI-UHFFFAOYSA-N 317.364 3.036 0 40 DGAB C[C@H]1C[C@H](C)CN(CCNC(=O)c2ccc(F)cc2Cl)C1 40107582 FKKIBBQBJJJFON-RYUDHWBXSA-N 312.816 3.187 0 40 DGAB COCCCNC1=NN=C(c2cc(C)c(C)cc2C)CS1 40460681 HKUGNLITLHEXHH-UHFFFAOYSA-N 305.447 3.045 0 40 DGAB CCn1nc(C)c(NC(=O)c2cc3sccc3n2C)c1C 40786247 ZYIGWPHFXMQHFO-UHFFFAOYSA-N 302.403 3.325 0 40 DGAB O=S(=O)(Cc1ccccc1)Cc1nc2ccccc2s1 44643859 WBEABTBZHKYVGT-UHFFFAOYSA-N 303.408 3.411 0 40 DGAB C[C@@H](Nc1cc(Cl)nc(N)n1)c1ccc(OC(F)F)cc1 45026397 VQNJCCJHOIHUML-SSDOTTSWSA-N 314.723 3.487 0 40 DGAB CCn1c(CNC(=O)c2sc(C)nc2C)nc2ccccc21 48275403 AJANOPXVNHCZRT-UHFFFAOYSA-N 314.414 3.060 0 40 DGAB C[C@H]1C[C@@H](C)CN(CCCNC(=O)Cc2ccc(Cl)cc2)C1 48310108 RHMODXZERBDYFM-GASCZTMLSA-N 322.880 3.367 0 40 DGAB CCC[C@@H](C)NC(=O)Nc1cc(C(=O)OC)c(F)cc1F 48325083 UWLHWCAXIYPWRB-MRVPVSSYSA-N 300.305 3.062 0 40 DGAB Cc1nc(C)c([C@@H](C)NC(=O)c2ccc(NC3CC3)nc2)s1 57239487 OYJZYVWPKWISSK-SNVBAGLBSA-N 316.430 3.220 0 40 DGAB COc1ccc2cc(C(=O)Nc3nccn3CC(C)C)[nH]c2c1 64659936 BZVSMFJRYRAOKU-UHFFFAOYSA-N 312.373 3.281 0 40 DGAB Cn1ccc(C(=O)N(Cc2ccccc2)CC(C)(C)C)cc1=O 65513139 GUTSJLPYJJSZOJ-UHFFFAOYSA-N 312.413 3.074 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H](C)C2)ccc1NC(=O)C1CC1 66036024 SGFWHWYRLIPYDU-LBPRGKRZSA-N 300.402 3.216 0 40 DGAB CC(C)c1ccc(-n2nnc(C(=O)O)c2-c2ccccn2)cc1 67323693 JTKDPHCFHDPALI-UHFFFAOYSA-N 308.341 3.151 0 40 DGAB COc1ccccc1[C@H]1CCCN1Cc1cccc(C(N)=O)c1 69085128 AICNCWQOUYCEQQ-QGZVFWFLSA-N 310.397 3.131 0 40 DGAB COc1ccccc1N1CC[C@H](CNC(=O)C[C@@H](C)C2CC2)C1 69420602 ZYUMRDKJAKTWSA-HUUCEWRRSA-N 316.445 3.074 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2c2cnn(C)c2)c1 69739738 GXNUJSOOFYIVEF-OKZBNKHCSA-N 309.413 3.196 0 40 DGAB CCc1nnc([C@H](C)N(C)CCOc2ccc(Cl)cc2)o1 70011833 RLQXSKDPCXCXNF-NSHDSACASA-N 309.797 3.357 0 40 DGAB C[C@@H]1CC=CC[C@@H]1COC(=O)CCn1c(=O)oc2ccccc21 70039313 BRAWSDVIAHMFOE-ZIAGYGMSSA-N 315.369 3.130 0 40 DGAB C[C@H](c1ccc(Cl)cc1)N(C)C(=O)c1ccc2nncn2c1 71851024 GYFMZJKZHABUGC-LLVKDONJSA-N 314.776 3.216 0 40 DGAB CCc1nc(CCNC(=O)c2c(F)cccc2F)sc1C 71854133 ADDXSABFIUXSMD-UHFFFAOYSA-N 310.369 3.265 0 40 DGAB C[S@](=O)c1cccc(NC(=O)CCc2ccc(F)cc2)c1 71893547 OWWUKJSVEPRJOJ-OAQYLSRUSA-N 305.374 3.134 0 40 DGAB CN(C[C@H]1CCCO1)C(=O)c1cccc(Oc2ccncc2)c1 71903053 URNHNQYVZRGRDC-QGZVFWFLSA-N 312.369 3.125 0 40 DGAB COc1c(NC(=O)c2cc3ccccc3s2)c(C)nn1C 71908544 KRYDHRMEKJWHJU-UHFFFAOYSA-N 301.371 3.204 0 40 DGAB COc1ccc(-c2cc(-c3cccc(OC)c3)nc(N)n2)cc1 71977375 MRZNAFLCQRLDRD-UHFFFAOYSA-N 307.353 3.410 0 40 DGAB CCOc1ccc(Cl)cc1-c1noc([C@H]2CCCNC2)n1 72209122 IUZJIWHAFBOOAY-JTQLQIEISA-N 307.781 3.256 0 40 DGAB CCc1noc(C)c1C(=O)N1CCC[C@@H](c2nc(C)cs2)C1 72298822 GZDSBVPJYLSSCT-GFCCVEGCSA-N 319.430 3.330 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2cccs2)C2CCCC2)c(=O)[nH]1 75118684 HSQFULLADUZDAV-HNNXBMFYSA-N 316.426 3.406 0 40 DGAB Cc1nnc([C@@H](C)N2CCC[C@@H]2c2cccc(N(C)C)c2)o1 75838814 HPKGFYAOFWMJQR-MLGOLLRUSA-N 300.406 3.342 0 40 DGAB O=C1N(C2CCCCC2)C[C@H]2CN(Cc3cccs3)CCN12 77266887 RMUNPNRFAAJQBX-OAHLLOKOSA-N 319.474 3.003 0 40 DGAB biogenic,in-vitro COc1ccccc1CNC(C)(C)c1noc(C(C)(C)C)n1 78555847 NONJNXAIDJDLQV-UHFFFAOYSA-N 303.406 3.401 0 40 DGAB Cc1cc(NC(=O)c2ccccc2N(C)C(=O)C2CC2)ccn1 79001754 PGVKWXPRUNDHCS-UHFFFAOYSA-N 309.369 3.015 0 40 DGAB COC(=O)[C@@H]1CCCCCC[C@@H]1NC(=O)Nc1cccc(F)c1 79097528 QOBBQRFNMUPJSL-CABCVRRESA-N 322.380 3.459 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)N1CCC[C@@H]2CCC[C@H]21 84335616 BOXXZEICCMHXSH-CMPLNLGQSA-N 316.327 3.242 0 40 DGAB CC(=O)N(C)c1ccccc1NCc1noc(-c2ccccc2)n1 86209295 LQMHZAJCDWAGDE-UHFFFAOYSA-N 322.368 3.331 0 40 DGAB COCC[S@@](=O)Cc1cccc(NCc2ccc(F)cc2)c1 89420229 MHJKLRPBLZMINV-QFIPXVFZSA-N 321.417 3.333 0 40 DGAB Cc1c(CCN[C@H]2CC3(CCC3)Oc3ccccc32)cnn1C 95423925 NFBPJGRSZOVJEF-KRWDZBQOSA-N 311.429 3.307 0 40 DGAB C[C@H](C(=O)Nc1cccc(CC(=O)O)c1)c1ccccc1F 95427682 LAONNMDOBIDHHD-NSHDSACASA-N 301.317 3.195 0 40 DGAB C/C(=C\c1ccc(Cl)cc1)C(=O)N(C)Cc1cnccn1 95442952 QYTYVXOPYCOIKU-FMIVXFBMSA-N 301.777 3.192 0 40 DGAB O=C(Cn1ccnc1)Nc1ccc2[nH]c(-c3cccs3)nc2c1 95994411 RXIPPPXYVIOIAV-UHFFFAOYSA-N 323.381 3.127 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 96402858 CHFYLVNJZBFPHJ-GFCCVEGCSA-N 323.318 3.448 0 40 DGAB O=[S@@](Cc1csc(-c2ncccn2)n1)CC1CCCCC1 96403879 WAOBCOKWFPMSQU-NRFANRHFSA-N 321.471 3.429 0 40 DGAB CC(=O)Nc1c(C)ccc(NCCOCC(F)(F)F)c1C 96427449 XKFDHDWZSJSZHC-UHFFFAOYSA-N 304.312 3.253 0 40 DGAB CCO[C@@H]1C[C@H](NC(=O)c2scnc2Cl)C12CCCC2 96432472 XMQQQTGQHGWUEH-VHSXEESVSA-N 314.838 3.264 0 40 DGAB Cc1cccc([C@H](C)[S@](=O)CC(=O)N2CCCCCC2)c1 96448149 BLKUTLMLBVEBMO-BTYIYWSLSA-N 307.459 3.207 0 40 DGAB CC(C)c1cc(C(=O)N2CCc3c(Cl)cccc32)nn1C 96462373 ZDVXTHPFUOGDAA-UHFFFAOYSA-N 303.793 3.400 0 40 DGAB OC[C@@H](CN[C@@H]1CCCc2ccc(F)cc21)Cc1ccccn1 97034626 YOWIOKXKKQZEEK-AUUYWEPGSA-N 314.404 3.039 0 40 DGAB Cc1nnc2n1C[C@@H](NCc1cc(-c3ccccc3)cs1)CC2 97199407 NNEXEUDPUWJMOM-INIZCTEOSA-N 324.453 3.420 0 40 DGAB CO[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4C[C@@H](O)[C@H](O)[C@@]4(C)CC[C@@H]32)C1 118923041 QUBMMHUOTQYUMC-CILPQFMPSA-N 320.473 3.296 0 40 DGAB COC[C@H](NC(=O)C[C@@H]1CCCCO1)c1ccc(Cl)cc1 193534231 KMVJQSSPOUBUIC-GJZGRUSLSA-N 311.809 3.103 0 40 DGAB COc1cc(CN2CC[C@@]3(C2)OCc2ccccc23)ccc1O 194995374 STVOUIPZPJCIQQ-IBGZPJMESA-N 311.381 3.032 0 40 DGAB COc1cccc2c(SCc3nnnn3C(C)C)ccnc12 195571493 HVYUZIATZMIJIA-UHFFFAOYSA-N 315.402 3.103 0 40 DGAB Nc1ccc(OCc2cccc(Br)c2)c(CO)c1 216853778 CTRBWHQZJLRSFL-UHFFFAOYSA-N 308.175 3.103 0 40 DGAB O=C(CCc1ccc(Cl)c(Cl)c1)NC[C@@H]1CCCO1 225324032 WCSVWADHMFYIEB-NSHDSACASA-N 302.201 3.221 0 40 DGAB CCCNC(=O)c1ccc(Nc2cc(C)ccc2OC)c(N)c1 225434097 UVWONDQAWAKFHM-UHFFFAOYSA-N 313.401 3.469 0 40 DGAB COc1cccnc1NC(=S)N[C@@H](C)c1ccc(C)cc1 225471229 ULTIYBYWJSWYGN-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)NCCSC1CCCC1 225757993 OHNSBJQEUVHAFX-ZDUSSCGKSA-N 323.458 3.255 0 40 DGAB COc1ccc2cc(C(=O)NC3CCCCCC3)c(=O)oc2c1 226042532 REHNXEUHCYKJSL-UHFFFAOYSA-N 315.369 3.254 0 40 DGAB CCCc1cc(C(=O)N2CCCC[C@@H]2c2[nH]ncc2C)no1 257226360 FKINJOAGNLFDFC-CQSZACIVSA-N 302.378 3.026 0 40 DGAB Cc1c(C(=O)N2CCO[C@@H](c3ccncc3)C2)oc2ccccc12 257249969 JKLGHGHZVXNALU-QGZVFWFLSA-N 322.364 3.350 0 40 DGAB COc1ccc(-c2cnc3n2CCN(Cc2ccco2)C3)cc1 306123800 AXECKAJNZGGUCH-UHFFFAOYSA-N 309.369 3.168 0 40 DGAB O=C(O)c1ccc(-c2cc(F)ccc2OC[C@@H]2CCCO2)cn1 519183499 RANGBRBURJUNRK-ZDUSSCGKSA-N 317.316 3.144 0 40 DGAB COC(OC)[C@@H](NC(=O)c1ccc(Cl)o1)c1ccccc1 585085756 PUNAXOQTBIDKPS-ZDUSSCGKSA-N 309.749 3.023 0 40 DGAB CCc1ccc(-c2noc(-c3cc(O)nc(C4CC4)n3)n2)cc1 585133227 BHGLMLNOFJMJGE-UHFFFAOYSA-N 308.341 3.339 0 40 DGAB Clc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)oc2c1 1889151980 QGFYGXCXXQXLDB-UHFFFAOYSA-N 323.183 3.468 0 40 DGAB CO[C@@H](C)C(=O)N1CCC(c2nc3ccccc3s2)CC1 54937822 NUEJGRLYIXDVTC-NSHDSACASA-N 304.415 3.037 0 40 DGAB C[C@@H]1CN(C)c2ccccc2N(C(=O)CCc2ccncc2)C1 78878402 TZKBVIWZSLXMKV-OAHLLOKOSA-N 309.413 3.133 0 40 DGAB CC(=O)Nc1ccc(OC(=O)CCOc2ccc(F)cc2)cc1 24752993 SIGUXENUBHLZCF-UHFFFAOYSA-N 317.316 3.159 0 40 DGAB C[C@H]1CN(Cc2ccccc2)CC[C@@H]1N(C)Cc1cscn1 79762060 QWBDBTSRRWQFPY-YJBOKZPZSA-N 315.486 3.486 0 40 DGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2C=C[C@@H]3C23CC3)cc1Cl 4019030 USXBFTZCSXJFOE-NEBZKDRISA-N 313.784 3.350 0 40 DGAB CC(C)C(=O)NC(=S)Nc1ccccc1N1CCCCC1 6563602 FFRCACHVPJZLHB-UHFFFAOYSA-N 305.447 3.146 0 40 DGAB COc1ccc(NC(=O)CCC(=O)c2ccc(OC)cc2)cc1 6947257 RSDQNXIMUJIVKP-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB biogenic Cc1nc2sccn2c1/C=C1\N=C(c2ccccc2)OC1=O 57997504 FVISOMYYTAKUKG-XFXZXTDPSA-N 309.350 3.049 0 40 DGAB COc1ccccc1[C@H](NC(=O)CCC(C)C)c1nccn1C 44890357 LDSMKFHXXCMKDN-KRWDZBQOSA-N 315.417 3.071 0 40 DGAB COc1ccccc1C(C)(C)CNC(=O)CC[C@@H]1CCCO1 58281658 YALOFVPBNWICEA-AWEZNQCLSA-N 305.418 3.048 0 40 DGAB Cc1cccc(C(=O)N2CCC(c3n[nH]c(C4CC4)n3)CC2)c1C 58266756 BQRCZULLBXXTOK-UHFFFAOYSA-N 324.428 3.319 0 40 DGAB Cc1ccc([C@@H](C)Nc2ccc3nnc(C(F)(F)F)n3n2)o1 58245426 OJZXVUQOGNXNHC-MRVPVSSYSA-N 311.267 3.218 0 40 DGAB CC[C@@H](C(=O)N1CCC[C@H](c2nc(C)no2)C1)c1ccccc1 44979321 GLRFBWMMZUMEQB-JKSUJKDBSA-N 313.401 3.278 0 40 DGAB CCOc1ccc(-c2csc(NC(=O)[C@@H]3CCOC3)n2)cc1 58355912 ITYYVSDBCQFGIO-GFCCVEGCSA-N 318.398 3.184 0 40 DGAB Cc1nn(C)c(N(C)C)c1CN[C@H](C)c1cc2ccccc2o1 58411935 OLUKSWYQUGIKDT-CYBMUJFWSA-N 312.417 3.392 0 40 DGAB C[C@H](NC(=O)NCCOc1ccc(Cl)cc1)c1cccnc1 48067264 OFZANOVVIZACBE-LBPRGKRZSA-N 319.792 3.174 0 40 DGAB O=C(NC1=NCCCN1c1ccccc1)c1ccc(Cl)cc1 28527923 PSEPGWIPWPURKA-UHFFFAOYSA-N 313.788 3.336 0 40 DGAB CC(C)C(=O)NC(=S)Nc1ccc(Cc2ccncc2)cc1 9972140 HVIMFQBPJIUKRV-UHFFFAOYSA-N 313.426 3.141 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(F)c(F)c2F)o1 48261712 LHVKMKMLLXMTGR-QMMMGPOBSA-N 319.304 3.045 0 40 DGAB Cc1cccn2cc(COc3cccc(C(=O)NC4CC4)c3)nc12 10367808 BCCPJYPUYBGSGA-UHFFFAOYSA-N 321.380 3.114 0 40 DGAB CC(=O)Nc1ccc(NC(=O)CNc2ccc(Cl)cc2)cc1 3487007 LRTGDWUZGCGMLB-UHFFFAOYSA-N 317.776 3.349 0 40 DGAB Cn1c(C(=O)NCC2CCC2)c(Br)c2ccccc21 48574234 SXQBSGBTZGIODQ-UHFFFAOYSA-N 321.218 3.471 0 40 DGAB C[C@H]1CN(c2ncnc3c2[nH]c2ccc(Cl)cc23)C[C@@H](C)O1 13618952 VEDWFODMAFVAQP-AOOOYVTPSA-N 316.792 3.378 0 40 DGAB O=C([C@H]1CCOC1)N1CCC(c2nc3ccccc3s2)CC1 65516287 KMXQHUOAELUWJK-ZDUSSCGKSA-N 316.426 3.039 0 40 DGAB COc1cc(CCC(=O)NCc2ccc(F)cc2)cc(OC)c1 14181359 YJGHOHJDQDUOFL-UHFFFAOYSA-N 317.360 3.092 0 40 DGAB O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc2c(c1)CCC2 14482100 WQUVPGBECCGSQD-UHFFFAOYSA-N 320.392 3.320 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1c(F)cccc1F)OCO2 6653577 KDNXSVSKXZRJRM-UHFFFAOYSA-N 319.263 3.148 0 40 DGAB Cc1ccc2[nH]c(SCc3cc(=O)n4ccccc4n3)nc2c1 14754674 LJNVXTKJJOBOSF-UHFFFAOYSA-N 322.393 3.172 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 7069387 AOCJEMUCXDDCQI-UHFFFAOYSA-N 317.772 3.373 0 40 DGAB CSc1ccc(C(=O)Nc2ccc3c(c2)OCCO3)cc1 7399619 RZXLRNAQODRRID-UHFFFAOYSA-N 301.367 3.432 0 40 DGAB Cc1ccc(C)c(C(=O)O[C@@H](C)C(=O)NC2CCCCC2)c1 7439216 CVMBWLXYXJJWCD-AWEZNQCLSA-N 303.402 3.298 0 40 DGAB Cc1ccc(NC(=O)CSc2nnc(C)n2C2CC2)cc1F 7617442 CFDIILNSOQIZRL-UHFFFAOYSA-N 320.393 3.100 0 40 DGAB O=C(c1cnc2cc3c(cc2c1)OCO3)c1cc(F)ccc1O 7714927 IHFPSLBFNHEEFD-UHFFFAOYSA-N 311.268 3.039 0 40 DGAB Cc1cc(CNC(=O)Nc2ccnc(Oc3ccccc3)c2)no1 96434992 BSDCLJQAGCXASM-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB Cc1ccccc1C(=O)NCCC(=O)NC[C@@H](C)c1ccccc1 7963118 GMZCYFSXGKFBCM-MRXNPFEDSA-N 324.424 3.035 0 40 DGAB COc1ccc(NCc2nc3sc(C)c(C)c3c(=O)[nH]2)cc1 19926644 OMGOCGMCOHMVBQ-UHFFFAOYSA-N 315.398 3.222 0 40 DGAB Cc1cnn([C@H](C)[C@@H](C)NCc2c[nH]nc2-c2cccs2)c1 69463573 PKSOPHXPQJZRPH-CHWSQXEVSA-N 315.446 3.382 0 40 DGAB COc1cc(OC)c(OC)cc1CNC(=O)Nc1ccccc1 18173973 UVJHXMHWRQDRQK-UHFFFAOYSA-N 316.357 3.034 0 40 DGAB Cc1ccc(C(=O)CSc2nc3ccccc3c(=O)[nH]2)cc1 18187871 XLQDIKUTVDYJGM-UHFFFAOYSA-N 310.378 3.207 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@H]1CCCN1Cc1cccc2cccnc12 69929860 GPJHKHZOWNTIST-RTBURBONSA-N 323.440 3.210 0 40 DGAB CCn1cc(CNc2nnc(Cc3cccc(F)c3)s2)cn1 95992351 JFJBZICOKQXLHC-UHFFFAOYSA-N 317.393 3.097 0 40 DGAB CCc1cccc(NC(=O)COC(=O)/C=C/c2ccc(C)o2)c1 8705760 AXXUGEQDMGFSLV-MDZDMXLPSA-N 313.353 3.346 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H]2CN(Cc3ccco3)C[C@@H]21 97113971 AEYRHMJLCOXQFM-AEGPPILISA-N 306.406 3.015 0 40 DGAB CCOCCCC(=O)Nc1ccc(-c2n[nH]c(C)n2)c(Cl)c1 95987178 CSTBKCPNYYJJBB-UHFFFAOYSA-N 322.796 3.189 0 40 DGAB CCO[C@H]1C[C@H](N(C)c2ccc(C(F)(F)F)nn2)C1(C)C 95981589 IKNCVAZLUSKNTC-QWRGUYRKSA-N 303.328 3.135 0 40 DGAB O=C(NC1CCOCC1)N[C@H](c1cccs1)C1CCCC1 84436928 OHIOELXFMIXTEG-HNNXBMFYSA-N 308.447 3.458 0 40 DGAB O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccn2cncc2c1 84414554 UZRONSWRBUBFSG-UHFFFAOYSA-N 321.258 3.485 0 40 DGAB C[C@@H](CCc1cccc(F)c1)NC(=O)Cc1cccc(O)c1 95397702 LBBRWFBIXHIFIM-ZDUSSCGKSA-N 301.361 3.211 0 40 DGAB CCOC(=O)c1sc2nc(C)nc(NCC3CC3)c2c1C 84795593 NAQKOFHXCPDNJW-UHFFFAOYSA-N 305.403 3.307 0 40 DGAB C[C@@H](C[C@H](O)c1cccs1)NCc1ccc2c(c1)OCCO2 95978230 OQRDSJMNVSSMHR-JSGCOSHPSA-N 319.426 3.121 0 40 DGAB CC(C)COCCC(=O)OCc1cc(-c2ccccc2)[nH]n1 89840290 HUHOZMCYFRZKBF-UHFFFAOYSA-N 302.374 3.183 0 40 DGAB CC[C@](C)(NC(=O)NCc1nc(C)c(C)s1)c1nccs1 74919113 HMWPOXXMKHVKPY-AWEZNQCLSA-N 324.475 3.341 0 40 DGAB O=C(c1cn[nH]n1)N1CCCC[C@H]1c1ccc(C(F)(F)F)cc1 75582421 JHPULBHSTCBOGQ-ZDUSSCGKSA-N 324.306 3.191 0 40 DGAB CC[C@@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc(C(C)C)c2)C1 23016693 MYIRUEUAURHDCS-UKRRQHHQSA-N 302.418 3.078 0 40 DGAB Cc1ccc([C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C(=O)O)cc1 35571352 FNYOAUTWNGUZLV-ZIAGYGMSSA-N 305.374 3.030 0 40 DGAB Cc1cc(C(=O)NCc2cccc(OC(F)(F)F)c2)c(C)[nH]1 1529267863 JDQHJJZIWNXHPI-UHFFFAOYSA-N 312.291 3.460 0 40 DGAB CC(C)C(=O)Nc1nnc(-c2cccc(Br)c2)o1 36681143 XALQJDHKDUAOIS-UHFFFAOYSA-N 310.151 3.094 0 40 DGAB C[C@@H](c1ccccn1)N(C(=O)c1ccc2c(c1)COCO2)C1CC1 73019045 ABPNEUKOBIZWFN-ZDUSSCGKSA-N 324.380 3.314 0 40 DGAB O=C(COc1ccccc1F)NCc1ccnc2ccccc12 74859018 FTRDAAYTOJQTQR-UHFFFAOYSA-N 310.328 3.069 0 40 DGAB Cc1nccn1-c1cccc([C@H]2CCCN2Cc2ccccn2)n1 72378631 OQIHWLWWVWWJAW-GOSISDBHSA-N 319.412 3.308 0 40 DGAB O=C(Nc1cnc(N2CCCC2)nc1)Nc1cccc(Cl)c1 224261615 KVJAEPRGUVGEPX-UHFFFAOYSA-N 317.780 3.374 0 40 DGAB CC(C)(C)OC(=O)N1CCC(=O)[C@H](Cc2ccc(F)cc2)C1 228915692 TXKLNOMSDYWTDW-CYBMUJFWSA-N 307.365 3.194 0 40 DGAB CC(C)(C)C(=O)N1CCN(c2ccc(-n3cccc3)cc2)CC1 226246099 AGEFVNYFXWAJTH-UHFFFAOYSA-N 311.429 3.172 0 40 DGAB CCN(c1ccc(F)cc1F)S(=O)(=O)c1ccc(F)cc1 224916426 WKHTXFMEKKZLSC-UHFFFAOYSA-N 315.316 3.319 0 40 DGAB CC1=CCC[C@@H](C)[C@@H]1CN1CCN(CC2CCOCC2)CC1 191070422 AFOGZAPMVILIHU-IEBWSBKVSA-N 306.494 3.023 0 40 DGAB Oc1cccnc1CNCc1c(F)cccc1OC(F)(F)F 330032429 MWRZWZNGHUJWJI-UHFFFAOYSA-N 316.254 3.115 0 40 DGAB Cc1ccc(C(C)C)cc1OCC(=O)N[C@H](C)c1ncc[nH]1 577662483 FISVCLJPXAXHCE-CYBMUJFWSA-N 301.390 3.098 0 40 DGAB CC(=O)N1CCC2(CCN(Cc3ccc(C)cc3)CC2)CC1 96158424 PTQHWZCLABBJLG-UHFFFAOYSA-N 300.446 3.220 0 40 DGAB FC(F)(F)[C@@H](OC[C@H]1CO1)c1cccc(Br)c1 95095935 ZKNNSXCHTDBVTE-ZJUUUORDSA-N 311.097 3.468 0 40 DGAB Cc1nc(-c2ccccn2)n(Cc2ncc(-c3ccccc3)o2)n1 97227943 NPDUIPKJMBJTKQ-UHFFFAOYSA-N 317.352 3.352 0 40 DGAB Cc1nc(CC(=O)N2C[C@@H](C)CN(C)c3ccccc32)cs1 96425555 IKZQRWKKZJFYOT-LBPRGKRZSA-N 315.442 3.113 0 40 DGAB Cc1cnc([C@H]2CCCN(C(=O)c3ccccc3O)C2)s1 96406930 JOVOQMYEEJLVHG-LBPRGKRZSA-N 302.399 3.177 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@]2(CCc3c(O)cccc3O2)C1 96341548 OTNDMWGGRZYTMF-KRWDZBQOSA-N 305.374 3.097 0 40 DGAB CC[C@H]([C@@H](N)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96524976 XEEZPNJADUHREE-NEPJUHHUSA-N 310.246 3.207 0 40 DGAB Cc1cc2c(cc1C)[C@]1(CCO2)C[C@H]1C(=O)NCCc1ccc[nH]1 583622098 MXLABFIKKZXMFS-PXNSSMCTSA-N 324.424 3.031 0 40 DGAB CC(C)(C)OC(=O)N1[C@H](c2ccccc2)CC[C@@H]1C(N)=S 90586779 WEBIJDMCKKACQD-QWHCGFSZSA-N 306.431 3.413 0 40 DGAB CSC(C)(C)CCNc1ccccc1CS(C)(=O)=O 585086293 MHVYJXGLDPGLPG-UHFFFAOYSA-N 301.477 3.175 0 40 DGAB Cc1ncc(-c2cc(CC3CCN(C(C)C)CC3)ccn2)n1C 257302557 SDJDPYLHCMOWGQ-UHFFFAOYSA-N 312.461 3.453 0 40 DGAB Cc1cncc([C@H]2CCCN(C(=O)C3CCC(F)(F)CC3)C2)n1 257312096 UMNIBOVIQYMJTP-AWEZNQCLSA-N 323.387 3.317 0 40 DGAB Cc1nc([C@@H]2CCCN2Cc2ccsc2)cc(N(C)C)n1 257273729 NHXWUVOKJCEFMG-HNNXBMFYSA-N 302.447 3.250 0 40 DGAB N[C@@H]1CCC[C@@H](Oc2cccc(F)c2Oc2ccccc2)[C@@H]1O 257227751 FQSQWTAHJIZEQS-BFYDXBDKSA-N 317.360 3.238 0 40 DGAB COc1cc(CN2CCC[C@H](c3nc(C)c[nH]3)C2)ccc1F 257213731 CIWOYYKIEIKQNS-AWEZNQCLSA-N 303.381 3.245 0 40 DGAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2ccc(O)cc2)S1 260766401 JWAHDGJZDNYHEF-HFBAOOFYSA-N 311.410 3.377 0 40 DGAB Cc1c(C(=O)O)oc2ccc(I)cc12 32274377 NANPESJGNZAUKM-UHFFFAOYSA-N 302.067 3.044 0 40 DGAB O=C(NCc1cn2ccccc2n1)NC12CC3CC(CC(C3)C1)C2 33573554 ZCYLAPJPGZUPJP-UHFFFAOYSA-N 324.428 3.102 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)C[C@H](C)c2ccccc2)n1 48325971 ABUNLQQNSGKCIE-CABCVRRESA-N 313.445 3.446 0 40 DGAB O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccco1 54214994 UVPVRMDLPKVVCV-CQSZACIVSA-N 317.732 3.123 0 40 DGAB O=C(NCCn1nc(C2CC2)cc1C1CC1)c1ccccc1F 585299988 FBEYKZVDKACOQT-UHFFFAOYSA-N 313.376 3.207 0 40 DGAB O=C(Nc1nncs1)N1CCC(Cc2ccccc2)CC1 43130581 FIBPDNDFFFWAJR-UHFFFAOYSA-N 302.403 3.025 0 40 DGAB C[C@@]1(F)CCN(C(=O)c2cc(F)ccc2Br)C1 95452188 CMERPMNTWWQQIM-GFCCVEGCSA-N 304.134 3.162 0 40 DGAB COc1ccc(/C=C/C(=O)NCCCN2CCCCCC2)cc1 3029695 XVECWTWSMNSSSQ-FMIVXFBMSA-N 316.445 3.091 0 40 DGAB biogenic O=C(Nc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CCO 5892660 ZHHLBURUHLPCKQ-CYBMUJFWSA-N 316.323 3.474 0 40 DGAB O=C(Nc1nc2c(s1)CCCC2)c1ccc2c(c1)OCCO2 5754012 WDRYOMNKWPQZEM-UHFFFAOYSA-N 316.382 3.045 0 40 DGAB O=C(C1CCC1)N1CCC(c2onc3c2CCCCC3)CC1 12219361 XZSHRHCGEMVGJC-UHFFFAOYSA-N 302.418 3.450 0 40 DGAB COc1cc(/C=C2\C(=O)Nc3ccccc32)cc(OC)c1OC 12339639 FHTCRVQNMFJGLM-JYRVWZFOSA-N 311.337 3.205 0 40 DGAB biogenic COc1cccc(CNC(=O)c2cccc(Br)c2)c1 5611412 LGJLHRSQPSZSJI-UHFFFAOYSA-N 320.186 3.388 0 40 DGAB CC(C)CS(=O)(=O)N[C@@H](C)Cc1csc2ccccc12 821387326 UVOQCUHDDHOZOB-LBPRGKRZSA-N 311.472 3.408 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H]2c2ccncc2)c1 24751860 JTTVWMDCXKLZIO-QGZVFWFLSA-N 309.369 3.017 0 40 DGAB CO[C@@]1(C)CCCN(C(=O)c2cc(Cl)c(N)c(Cl)c2)C1 230263745 JIZTWBOEWYAJIF-AWEZNQCLSA-N 317.216 3.217 0 40 DGAB CCOC(=O)c1c(C)nc(C)c(C(=O)OCC)c1-c1ccco1 50722 KKRHMHVWHTZXRI-UHFFFAOYSA-N 317.341 3.312 0 40 DGAB O=C(Nc1nonc1-n1cccc1)C12CC3CC(CC(C3)C1)C2 4687001 AMXBSURQFWRNBZ-UHFFFAOYSA-N 312.373 3.015 0 40 DGAB Cc1ccc(CNc2nccn(-c3cccc(C)c3)c2=O)cc1 10272831 QHQCNFOKHLHHDY-UHFFFAOYSA-N 305.381 3.461 0 40 DGAB Cc1cc(C(=O)NC[C@H](O)c2ccc(-c3ccco3)o2)c(C)o1 1775966083 SJJHOIVTTBPDJY-ZDUSSCGKSA-N 315.325 3.213 0 40 DGAB Cc1ccc([C@@H](CNc2ncnc3ncccc23)N(C)C)cc1 1775970616 GVZIHYUKJGBKML-MRXNPFEDSA-N 307.401 3.048 0 40 DGAB O=C(NC[C@H]1CCCN1c1ccccn1)c1cc2ccccc2o1 225629626 MXFQJIGDIRYJFI-OAHLLOKOSA-N 321.380 3.227 0 40 DGAB Cc1ccnc(Oc2cc(N[C@@H]3CCN(C)C3=O)ccc2C)c1 96437213 VMNUGUZYSGTZEE-OAHLLOKOSA-N 311.385 3.133 0 40 DGAB Cc1cc(C)cc(OCCN(C)C(=O)c2cccc3cn[nH]c23)c1 40050928 XNSFQHUCWYYFSV-UHFFFAOYSA-N 323.396 3.331 0 40 DGAB CC(C)c1nc(CN2CCN(c3nccs3)CC2)cs1 51533778 JZXADQXIAMQABQ-UHFFFAOYSA-N 308.476 3.045 0 40 DGAB Cc1ccc([C@H]2C[C@H](c3ccc(F)cc3)n3nnnc3N2)cc1 222122 QYJGWUOROFQNSH-HZPDHXFCSA-N 309.348 3.267 0 40 DGAB COc1cccc(NC(=O)c2cccc(NC(=O)C3CC3)c2)c1 21002163 RMYNZZNGNBMBEH-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB Cc1csc(CNC(=O)Cc2ccc3c(c2)CCCC3)n1 21021969 RCNPWFKJIREQNB-UHFFFAOYSA-N 300.427 3.189 0 40 DGAB C[C@H]1Cc2ccccc2N1CC(=O)Nc1cc(C(C)(C)C)no1 32753202 PSGMPFCLZWXDBD-LBPRGKRZSA-N 313.401 3.362 0 40 DGAB CCOc1ncccc1CNC(=O)/C=C/c1ccccc1Cl 32796301 CTQQEVNDIUAQDE-MDZDMXLPSA-N 316.788 3.463 0 40 DGAB CC(C)(C)c1noc(CCC(=O)NCCC2=CCCCC2)n1 32709615 OFIAIMXTUJQXHK-UHFFFAOYSA-N 305.422 3.306 0 40 DGAB COc1cccc(-c2nn3c(Cc4ccccc4)nnc3s2)c1 383107 HSBYJYGSLPOLKU-UHFFFAOYSA-N 322.393 3.452 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)c1ccc(C(C)=O)s1 21598496 XDQWKKJVAHDNLZ-SNVBAGLBSA-N 303.383 3.450 0 40 DGAB COc1ccccc1CN1CC(O)=C(c2nc(C)cs2)C1=N 102721994 POLMLSBTEBWGKF-UHFFFAOYSA-N 315.398 3.222 0 40 DGAB CCOc1cc(C(=O)N2CCc3sccc3C2)ccc1OC 22597415 MXZBEHWDYZHYDW-UHFFFAOYSA-N 317.410 3.354 0 40 DGAB Brc1cccc(CSc2ncnc3[nH]cnc23)c1 386465 BROQYWHAFNQVOM-UHFFFAOYSA-N 321.203 3.408 0 40 DGAB COc1ccc2[nH]c3c(=O)n(Cc4ccc(F)cc4)cnc3c2c1 501452 OJUYJYKVPORRSV-UHFFFAOYSA-N 323.327 3.074 0 40 DGAB COc1ccc(Nc2ccc(C(=O)N3CCCCC3)cn2)cc1 1340944 MOWRNYHKJAZJGB-UHFFFAOYSA-N 311.385 3.460 0 40 DGAB COC(=O)c1ccc2nc(NC(=O)c3cccs3)sc2c1 3193129 SVKPKNPRIBLFPS-UHFFFAOYSA-N 318.379 3.397 0 40 DGAB CCOC(=O)c1c(N)n([C@H](C)CC)c2nc3ccccc3nc12 3212971 ITGZCMUXAAXTLI-SNVBAGLBSA-N 312.373 3.314 0 40 DGAB Cc1onc(-c2ccccc2Cl)c1C(=O)Nc1nncs1 3265126 FAUZUMNVYPOGTL-UHFFFAOYSA-N 320.761 3.407 0 40 DGAB O=C(COC(=O)c1ccccc1Cl)Nc1cccc(F)c1 3507083 KWWFJRSGWYAERJ-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB CCCC[C@]1(c2ccccc2)SC(NC(C)=O)=NN1C(C)=O 4143707 HDIMNAZYMMAHLE-MRXNPFEDSA-N 319.430 3.032 0 40 DGAB O=C(Nc1cc(F)cc(F)c1)[C@H]1CC(=O)N(C2CCCCC2)C1 4487713 HZTMPDOVKYDTNV-NSHDSACASA-N 322.355 3.085 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)[C@H]1CC(=O)N(c2ccccc2)C1 4731705 GFSQQSOQLNSOFQ-ZBFHGGJFSA-N 320.392 3.017 0 40 DGAB CC(C)c1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)C2)cc1 4975732 MWZOIMWTYIARHK-CQSZACIVSA-N 302.418 3.396 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N2c3ccccc3C[C@@H]2C)cc1 5120461 VWARKJNWOGYEBK-LBPRGKRZSA-N 315.394 3.029 0 40 DGAB CCc1nnc(NC(=O)C2(c3ccc(Cl)cc3)CC2)s1 5509132 VBJVOLFMDHUKDF-UHFFFAOYSA-N 307.806 3.424 0 40 DGAB Cc1ccc([C@H](C)NC(=O)[C@H]2[C@@H](C(=O)O)[C@H]3CC[C@@H]2C3)c(C)c1 5698222 XYMDIXKDNNYJBO-NHMCJKAESA-N 315.413 3.228 0 40 DGAB CCN1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(C)o2)N3)C1 6205612 MWBHUYSLNLRFEA-CQSZACIVSA-N 317.414 3.456 0 40 DGAB CCOC(=O)c1cc(NC(=O)N2CCCCCC2)c(C)nc1C 6560808 GXNKHAQFMBWOHJ-UHFFFAOYSA-N 319.405 3.283 0 40 DGAB C[C@@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 7492296 RPLKKBCZTWTFLY-LLVKDONJSA-N 319.307 3.078 0 40 DGAB C[C@@]1(CCc2ccccc2)NC(=O)N(Cc2ccccc2)C1=O 7989947 CAXYKZUSCGJMFI-IBGZPJMESA-N 308.381 3.130 0 40 DGAB CCOC(=O)c1sc(N)c(C(=O)Nc2cccc(C)c2)c1C 8228691 YRHQRZXFVRKNGU-UHFFFAOYSA-N 318.398 3.376 0 40 DGAB Cc1cccc(C)c1NC(=O)CSc1nc2ncccc2[nH]1 8559168 XFXSIQZVGZDKPZ-UHFFFAOYSA-N 312.398 3.306 0 40 DGAB CCOc1ccc(S(=O)(=O)n2ccc(C)n2)cc1C(C)(C)C 9061896 UHEIHNBLKNHOIT-UHFFFAOYSA-N 322.430 3.125 0 40 DGAB Cc1ccc(NC(=O)CSc2nc(C(C)C)n[nH]2)cc1C 9451596 BSVKSFLKVNOSBY-UHFFFAOYSA-N 304.419 3.276 0 40 DGAB CCCC[C@@H](CC)CNC(=O)CCNC(=O)c1ccccc1 10473897 XNNXJVKOAKECLM-OAHLLOKOSA-N 304.434 3.139 0 40 DGAB CSc1nnc(NC(=O)c2cc(-c3ccccc3)on2)s1 12062466 SDHIHCLSULRMGW-UHFFFAOYSA-N 318.383 3.167 0 40 DGAB Cc1cc(C(=O)N2CCCCC[C@H]2c2nn(C)cc2Cl)on1 12133797 KYAJMZJVKIDUNC-LBPRGKRZSA-N 322.796 3.127 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N2CCc3sccc3C2)c(C)c1 12935271 GIVNIZMBJPHPDE-UHFFFAOYSA-N 321.467 3.420 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccc(Cl)cc1)c1ccsc1 13011110 PUSGVBZNFUKNRB-AWEZNQCLSA-N 308.834 3.434 0 40 DGAB O=C1CCCc2nc(N3CCC(Cc4ccccc4)CC3)ncc21 13690024 RFGQHQAVHGXAAB-UHFFFAOYSA-N 321.424 3.455 0 40 DGAB COc1cc(C(C)=O)ccc1OC(=O)c1cccc(N(C)C)c1 14789299 JUHZMYJCBIALRV-UHFFFAOYSA-N 313.353 3.183 0 40 DGAB COCc1nc2ccccc2n1CCc1noc(-c2ccco2)n1 16943034 YRAYSOQODYBNBU-UHFFFAOYSA-N 324.340 3.068 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccccc1 16971670 AOBKOHAMWDQGTE-UHFFFAOYSA-N 313.372 3.304 0 40 DGAB O=C(Nc1cc(=O)oc2ccccc12)c1cccnc1Cl 20737082 GWWFPJRRZJEJDS-UHFFFAOYSA-N 300.701 3.094 0 40 DGAB Cc1cc2oc(=O)cc(COc3ccc(C(N)=O)cc3)c2cc1C 21463086 XXEXDSWPBIKQGS-UHFFFAOYSA-N 323.348 3.088 0 40 DGAB COC(=O)c1sccc1NC(=O)[C@]1(C)CC1(Cl)Cl 22191834 AOIMADIGESQUKZ-JTQLQIEISA-N 308.186 3.057 0 40 DGAB O=C1CC2(CCCC2)C(=O)N1CN1CCC[C@H]1c1cccs1 23245436 MYFCKGOJSOICBE-ZDUSSCGKSA-N 318.442 3.162 0 40 DGAB CN(Cc1nc(O)c2sccc2n1)Cc1ccc(F)cc1F 24952199 GFVCUEIZYALOBQ-UHFFFAOYSA-N 321.352 3.307 0 40 DGAB CCOc1ccc(C(=O)NCC2(N(C)C)CCCCCC2)cc1 25443437 SNGNMFGHKQTRPT-UHFFFAOYSA-N 318.461 3.470 0 40 DGAB CNc1nc(S[C@@H](C)C(=O)NC(C)(C)C)nc2ccccc12 26593490 RWDLQZSJAOJONA-JTQLQIEISA-N 318.446 3.067 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1ccncc1 27921352 BWDCRUHIAALIJE-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB O=C(NCc1cc(F)cc(F)c1)c1ccc(C(F)(F)F)nc1 30159346 VBEPYTRUFIWTIA-UHFFFAOYSA-N 316.229 3.309 0 40 DGAB Cc1cccc(CS(=O)(=O)N[C@@H](C)c2ccc(F)cc2)c1 30866221 BJUKREWHTZRNPP-ZDUSSCGKSA-N 307.390 3.315 0 40 DGAB COc1ccccc1N1C(=O)C[C@@H](Nc2c(C)cccc2C)C1=O 36635589 UVMIXULDIRZXPD-CQSZACIVSA-N 324.380 3.056 0 40 DGAB COc1ccc(N2C(=O)C[C@@H](Nc3c(C)cccc3C)C2=O)cc1 36635627 GNNMWSZTWSOXQO-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB O=C1C[C@@H](C(=O)N2CCCc3ccc(F)cc32)c2ccccc2N1 40117307 CCXLOWRGMJLTFD-OAHLLOKOSA-N 324.355 3.231 0 40 DGAB Cc1cn2nc(Oc3ccc4c(C)cc(=O)oc4c3)sc2n1 44648547 OKKJZWIBTOEXBJ-UHFFFAOYSA-N 313.338 3.306 0 40 DGAB O=C(CC(F)(F)F)NCc1cccc(OCc2ccccn2)c1 46925350 UWBABPRNWNRIIK-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB Cc1noc(C)c1CC(=O)N1CCC(Cc2ccccc2)CC1 47339808 VMYBEKPVCLMZNG-UHFFFAOYSA-N 312.413 3.315 0 40 DGAB C[C@H](NC(=O)NCc1cnn(Cc2ccccc2)c1)c1ccco1 48115874 FLABGLMLQDFVNX-AWEZNQCLSA-N 324.384 3.085 0 40 DGAB Cc1cc(CNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)on1 48368425 ZMCVBTMUODVKFA-UHFFFAOYSA-N 322.430 3.004 0 40 DGAB c1cnc(N2CCC[C@@H](Nc3nc4ccccc4s3)C2)nc1 52426959 OFTGQWYFMMWIGU-GFCCVEGCSA-N 311.414 3.167 0 40 DGAB COc1ccc(C)cc1NC(=O)CN[C@@H](C)c1cccc(F)c1 58146372 HXGMSNLJKIOPPP-ZDUSSCGKSA-N 316.376 3.432 0 40 DGAB CC(=O)Nc1ccc(C(=O)c2cc3cc4c(cc3o2)OCO4)cc1 58438667 YVTCXSRZYTYRTN-UHFFFAOYSA-N 323.304 3.351 0 40 DGAB Cc1nc(N2CC[C@@H](O)C2)c2c(-c3cccs3)csc2n1 65590422 JNQCKEJTLWJJBY-SNVBAGLBSA-N 317.439 3.299 0 40 DGAB Cc1ccc([C@H](NC[C@H]2CNc3cc(C)nn3C2)C2CC2)cc1 65623782 ZTLKXFAVNZOJOZ-BEFAXECRSA-N 310.445 3.283 0 40 DGAB CCCc1cc(N2CC3C[C@H]4CC2C[C@@H](C3)C4)n2ncnc2n1 65946795 VAHZMPOIZJGLJH-KKNUOHPOSA-N 311.433 3.092 0 40 DGAB CCOC(=O)c1cnc2c(-c3ccccc3)nsc2c1O 67172562 PVCSULUKATUQCJ-UHFFFAOYSA-N 300.339 3.241 0 40 DGAB COCCCC(=O)NCCc1csc(-c2ccc(C)cc2)n1 69440403 VQMVKBCNCACUCQ-UHFFFAOYSA-N 318.442 3.204 0 40 DGAB CC[C@H](NC(=O)COc1ccccc1F)c1nc(C)cs1 69809808 QGVVIKZUFOLDIC-LBPRGKRZSA-N 308.378 3.237 0 40 DGAB CC(=O)Nc1cccc(COC(=O)COC2CCCCC2)c1 71850178 HAOYXGKZIVBSQH-UHFFFAOYSA-N 305.374 3.038 0 40 DGAB CCc1ccc([C@@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227988 BNBGCMKLKWBJOL-HZPDHXFCSA-N 300.789 3.318 0 40 DGAB O=C1CCCN1c1cccc(C(=O)N2CCC[C@@H]3CCC[C@@H]32)c1 72296902 MGHLYVNBOLTXKX-YOEHRIQHSA-N 312.413 3.218 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)CC[C@@H]3CCCO3)C2)n1 72298670 PPAXYXPELBZGIZ-KBPBESRZSA-N 308.447 3.117 0 40 DGAB CSc1nsc(SCC(=O)N[C@H]2CCCC[C@@H]2C)n1 72333692 BNQLTUAAJNDASP-IUCAKERBSA-N 317.505 3.047 0 40 DGAB Cc1ccc([C@H](O)CNC2CCN(Cc3ccccc3)CC2)cc1 78648326 BOCKDSDSLQYMCL-OAQYLSRUSA-N 324.468 3.283 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)C2=C(Cl)CCCC2)n1 84102191 WPXALZWGKPFUBO-NSHDSACASA-N 309.841 3.319 0 40 DGAB COc1ccccc1NC1CCN(c2ncc(Cl)cn2)CC1 84488807 LPIAZNMQRMYFGP-UHFFFAOYSA-N 318.808 3.220 0 40 DGAB CN(C)CCN(C(=O)Cc1c(F)cccc1F)c1ccccc1 87209673 QKEKHWNGUSODCM-UHFFFAOYSA-N 318.367 3.102 0 40 DGAB c1ccc(-n2ccc(COc3ccccc3-c3nc[nH]n3)n2)cc1 89857621 NWLBXTJMVLWGOY-UHFFFAOYSA-N 317.352 3.236 0 40 DGAB CC[C@@H](C)n1ncc(C(=O)Nc2cnccc2OC)c1C1CC1 90011865 BFXIGGBPMRPLGQ-LLVKDONJSA-N 314.389 3.387 0 40 DGAB C[C@H](N[C@@H](C)c1nc2cc(Cl)ccc2n1C)c1cnn(C)c1 91346577 VFHOZUGOHIGFIS-QWRGUYRKSA-N 317.824 3.372 0 40 DGAB Cc1noc(C)c1CN(C)Cc1cnc(C)n1-c1ccccc1 91812688 OKJHVRFCEGLEGB-UHFFFAOYSA-N 310.401 3.418 0 40 DGAB Cc1csc(-c2cccc(NC(=O)[C@H]3CCO[C@H]3C)c2)n1 92351371 RRLCXEBKZSXULC-FZMZJTMJSA-N 302.399 3.482 0 40 DGAB Clc1cnc(OCCNC2CCSCC2)c(Cl)c1 95416728 BMNHYARKGNDIJD-UHFFFAOYSA-N 307.246 3.252 0 40 DGAB Cc1nc(C)n(-c2ccccc2NC(=O)c2cc(C)oc2C)n1 95418794 QARHGCOGQAGASF-UHFFFAOYSA-N 310.357 3.346 0 40 DGAB CCN(c1ccc(NC(=O)c2cc(OC)no2)cc1)C(C)C 96011662 XIAUSUZBZMKDOH-UHFFFAOYSA-N 303.362 3.170 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc(O[C@@H]2CCOC2)cc1 96416772 RBSVWWKHCGCECN-GOSISDBHSA-N 311.381 3.344 0 40 DGAB Cc1ccccc1[C@@H]1CN(C(=O)CCc2ccccn2)[C@@H](C)CO1 96425672 HGSORRLPROCKBY-LPHOPBHVSA-N 324.424 3.311 0 40 DGAB COc1c(F)cc(NC(=O)N[C@@H]2CCCC[C@H]2OC)cc1F 96434208 DZRKJSSZPKENSQ-CHWSQXEVSA-N 314.332 3.053 0 40 DGAB Cc1ccc(CN2CCCN(C(=O)c3ccncc3)CC2)c(C)c1 97032615 PJAULXQZQOWEPI-UHFFFAOYSA-N 323.440 3.047 0 40 DGAB Cc1ccc(NC(=O)N2CCN([C@H](C)c3ccccn3)CC2)cc1 97081878 AXNHWTHLBBMWIE-MRXNPFEDSA-N 324.428 3.301 0 40 DGAB O=C(NC[C@@H]1COC2(CCCCC2)O1)c1cc2sccc2[nH]1 97105915 JGFQVPNLUYKFOE-LLVKDONJSA-N 320.414 3.035 0 40 DGAB Cc1ncc([C@@H](C)Nc2ccc(NC(=O)C3CC3)nc2)s1 97232160 FXIXXMFNYHYXOI-SECBINFHSA-N 302.403 3.368 0 40 DGAB CCC(CC)[C@@H]1C[C@@H](NC(=O)c2sc(C)nc2C)CCO1 97232827 DCIFEUOLFKJIEE-KBPBESRZSA-N 310.463 3.474 0 40 DGAB COc1cccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2)c1 100184167 CVMZDNSFUQYZTJ-KRWDZBQOSA-N 319.368 3.046 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Nc3ccc(F)cc3)C2=O)c1C 101275301 HANZMRYKEVRVBR-OAHLLOKOSA-N 312.344 3.187 0 40 DGAB Cc1cc(C(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c2c(C)noc2n1 103157435 BCULXEWUHNBOIE-SAXRGWBVSA-N 313.401 3.394 0 40 DGAB COc1ccc(OC)c(COC(=O)[C@@H]2C[C@@H]2c2ccco2)c1 121335410 XERCYRSFPWZXGB-UONOGXRCSA-N 302.326 3.144 0 40 DGAB COc1ccc([C@@H](NC(=O)Cc2cccnc2)C(F)(F)F)cc1 182590306 VCQKLWCAVRNABU-OAHLLOKOSA-N 324.302 3.053 0 40 DGAB Fc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 222327618 MPKNCPVSEPNVPJ-LZLYRXPVSA-N 300.421 3.156 0 40 DGAB COc1ncccc1NC(=S)NCc1ccc(Cl)cc1 223929567 UAWMPRSIOVQJEA-UHFFFAOYSA-N 307.806 3.230 0 40 DGAB COc1ccc(NC(=S)NCCCc2ccc(F)cc2)cn1 223968417 KJXMUTHYUAQYAT-UHFFFAOYSA-N 319.405 3.149 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1ccc(O[C@@H]2CCOC2)nc1 225708440 VGZKJWWZPYYXDF-CQSZACIVSA-N 318.760 3.155 0 40 DGAB CCCOc1ccc(NC(=O)[C@]2(OC)CCC[C@@H](C)C2)cn1 225888998 UUPQBXRUSMFYSL-DYVFJYSZSA-N 306.406 3.404 0 40 DGAB CC[C@H](NC(=O)[C@](C)(O)CCc1ccccc1)c1nccs1 252498845 RNIIPEIGQIQCFQ-WMLDXEAASA-N 318.442 3.094 0 40 DGAB CNc1cc([C@H]2CCCN(Cc3scnc3C)C2)ccn1 257335036 YIKYHRCMSUDHNF-AWEZNQCLSA-N 302.447 3.268 0 40 DGAB C[C@H](c1ccccn1)N(C)C(=O)[C@H]1CCC(=O)c2ccccc21 284088555 XCLZKHVBFBWZQF-CJNGLKHVSA-N 308.381 3.361 0 40 DGAB CCCNC(=O)C(=O)c1c(-c2ccc(F)cc2)cc2ccccn12 408676865 OQDBVZNVYJDVCH-UHFFFAOYSA-N 324.355 3.454 0 40 DGAB Cc1cc(O)nc(C(=O)N[C@H]2C[C@H](c3ccc(Cl)cc3)C2)c1 511092064 RKPDIPFEKBLNBR-MQMHXKEQSA-N 316.788 3.425 0 40 DGAB CC[C@H](C(=O)O)[S@](=O)C(c1ccccc1)c1ccccc1 526892632 FDZGMDATCSKXHT-VFNWGFHPSA-N 302.395 3.388 0 40 DGAB C[C@@H]1O[C@H](C)[C@@H](Nc2nc(-c3cccnc3)nc3c2CCC3)[C@@H]1C 528204025 FXIPULDZLYODFZ-ZHRONYKTSA-N 324.428 3.251 0 40 DGAB Cc1cnc2cc(C(=O)N[C@H]3C[C@H](c4cccc(F)c4)C3)ccn12 568216964 FTHVLWFYJOQGLO-JCNLHEQBSA-N 323.371 3.458 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)[C@H]([C@@H]1CC=CCC1)N1CCC1=O 575443132 OZFDAWBXTMFCSM-ACJLOTCBSA-N 323.396 3.064 0 40 DGAB COc1nc(C)cc(N[C@H](C)c2cn(C(C)(C)C)nc2C)n1 680972628 KWWRNGOEKYUPQV-LLVKDONJSA-N 303.410 3.227 0 40 DGAB O[C@@H]1[C@@H](NCc2ccccc2)CCC[C@H]1Oc1ccccc1F 1615154610 NYEQBLGHVBGQLR-QXAKKESOSA-N 315.388 3.276 0 40 DGAB Cc1ccccc1CC(=O)Nc1ccc2onc(CN(C)C)c2c1 1775970408 LRJDGMINQAENIO-UHFFFAOYSA-N 323.396 3.379 0 40 DGAB Cc1cnc(C(=O)NCC(c2ccccc2)c2ccccc2)cn1 1351597 NHQJPCSJVQLQDC-UHFFFAOYSA-N 317.392 3.347 0 40 DGAB COc1cc(Cc2cc(OC)c(OC)c(OC)c2)ccc1O 1625537 KFXKATJJSRKYBZ-UHFFFAOYSA-N 304.342 3.017 0 40 DGAB C[C@@H](CNC1CCCCC1)OC(=O)c1ccc(N(C)C)cc1 1710520 UKUMWZATPGKUFM-AWEZNQCLSA-N 304.434 3.220 0 40 DGAB CCN(C(=O)c1sc(-c2ncccn2)nc1C)C1CCCC1 55204582 IYKFIWFYZYVRSD-UHFFFAOYSA-N 316.430 3.313 0 40 DGAB O=C(COc1ccc2c(c1)CCC2)N1CCC[C@@H]1c1ccccn1 55519366 TZSNGHFSTKDNGH-LJQANCHMSA-N 322.408 3.313 0 40 DGAB c1ccc2sc(N3CCN(Cc4ccncc4)CC3)nc2c1 25371549 KFRHYKPAFNUHSO-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB CCn1c(SCC(=O)Nc2cccc(C)c2)nnc1C1CC1 4861185 AWXOMWCTOSQNJK-UHFFFAOYSA-N 316.430 3.215 0 40 DGAB Cc1ccc2c(c1)C(=O)[C@@H](NC(=O)c1ccc(F)cc1)CS2 1404137 MSCGYDHICVRUAK-AWEZNQCLSA-N 315.369 3.221 0 40 DGAB CC(C)c1nnc(NC(=O)N2CCC[C@@H]2c2ccncc2)s1 43696869 OOJQUXCQXYYJFI-GFCCVEGCSA-N 317.418 3.426 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=O)c2ccc(Cl)cc2)C1 10542842 UGXOMHIGGYIGMX-ZIAGYGMSSA-N 308.853 3.438 0 40 DGAB O=C(Nc1cccc(-c2nnco2)c1)[C@@H]1Cc2ccccc2S1 27110726 RMOLCDOCTMVEIA-HNNXBMFYSA-N 323.377 3.392 0 40 DGAB Cc1ccccc1[C@H](C)NC(=O)c1csc(-c2ncccn2)n1 58231713 MUMPJSPNEOCTIN-LBPRGKRZSA-N 324.409 3.400 0 40 DGAB CCN(CCC(F)(F)F)C(=O)c1cc(=O)c2ccccc2o1 58210573 BQVGPNLQXHOOTL-UHFFFAOYSA-N 313.275 3.208 0 40 DGAB Cc1cc(N(C)C)ccc1NC(=O)c1cc(-c2ccco2)[nH]n1 58381471 LGYPISTWXOFXLC-UHFFFAOYSA-N 310.357 3.296 0 40 DGAB O=C(CN1CCc2ccccc21)NCC1(c2ccccc2)CCC1 58342858 SDSFPWZXKREALU-UHFFFAOYSA-N 320.436 3.287 0 40 DGAB FC(F)(F)[C@H]1CCCn2c(CNC3CCCCC3)nnc21 95402049 RIQLGVOTNBETAD-NSHDSACASA-N 302.344 3.140 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 95466221 HJSNSLVFXZGHHX-GOEBONIOSA-N 317.433 3.032 0 40 DGAB C[C@@H]1CCC[C@H](NC(=O)CSc2nccn2C2CC2)[C@@H]1C 11891586 DPVVSBKFYWLVNR-BZPMIXESSA-N 307.463 3.251 0 40 DGAB CCCc1cc(C(=O)N[C@H](C)c2ccc(-n3ccnc3)cc2)[nH]n1 29881340 RHFOUEGSOZXQEC-CYBMUJFWSA-N 323.400 3.039 0 40 DGAB COc1cccc(CN(C)Cc2nc(C(C)(C)C)no2)c1OC 46586355 FUIZDKFGGOMNLW-UHFFFAOYSA-N 319.405 3.016 0 40 DGAB O=C1CCCN1c1cccc(CNc2ncnc3sccc23)c1 52128279 IPNJXUNBEDGUPC-UHFFFAOYSA-N 324.409 3.430 0 40 DGAB Cc1ccccc1CN(C)C(=O)c1cc(Br)c[nH]1 37494784 VRDBGVQTDPAVKD-UHFFFAOYSA-N 307.191 3.358 0 40 DGAB Cc1cc(C)c(C(=O)CCCC(=O)Nc2nncs2)c(C)c1 47304508 LQVYWBNXLNSEQI-UHFFFAOYSA-N 317.414 3.455 0 40 DGAB COCCCn1cc(O)c(-c2nc3ccccc3s2)c1N 103552689 LVIHUJAIJSBZKP-UHFFFAOYSA-N 303.387 3.089 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)COC(=O)c2ccccn2)cc1 3507589 HBJGSXRMWJOKDC-CYBMUJFWSA-N 312.369 3.391 0 40 DGAB CC(C)(C)c1nc(CSc2nnc(-c3ccc[nH]3)o2)no1 12950186 BIGOTDLEKZYRJZ-UHFFFAOYSA-N 305.363 3.038 0 40 DGAB COc1ccc(Cn2cnc3c(oc4ccccc43)c2=O)cc1 12952127 WUQFWCGDTAOPLD-UHFFFAOYSA-N 306.321 3.200 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H]2c2noc(C3CC3)n2)on1 84622479 YYFKMAOCJADNGV-GFCCVEGCSA-N 316.361 3.036 0 40 DGAB COc1ccc2cc(-c3nc4ccccc4n3C)c(=O)[nH]c2c1 63883418 VQXKGZGSEUYKFC-UHFFFAOYSA-N 305.337 3.090 0 40 DGAB Cc1ccc([C@@H](C)Nc2nc(CCN)nc3ccccc23)cn1 65371855 BHVSAMLEHQUGOL-CYBMUJFWSA-N 307.401 3.008 0 40 DGAB Cc1ccc(NC(=O)OCc2ccccc2[S@](C)=O)cc1 4489555 GUVWVEYWYFCOHD-OAQYLSRUSA-N 303.383 3.481 0 40 DGAB O=C(NCc1ccc2c(c1)OCCO2)c1sccc1C1CC1 65565396 ARKANIAKWYJZIY-UHFFFAOYSA-N 315.394 3.327 0 40 DGAB C[C@H]1CCc2c(sc3ncn(CC(=O)C(C)(C)C)c(=O)c23)C1 5318798 APOLJGMWVIDHIR-JTQLQIEISA-N 318.442 3.198 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nc1ccccc1C(=O)O 4525224 BWFQGQFSABBUGY-UHFFFAOYSA-N 308.337 3.437 0 40 DGAB CC[C@@H](C)C(=O)N[C@@H]1CCN(c2ccccc2OC(F)F)C1 96408161 XNAJDXNGXZSOOT-VXGBXAGGSA-N 312.360 3.029 0 40 DGAB CC(C)Cn1ncc(C(=O)Nc2cccc(CO)c2)c1C(F)F 96485971 TWUJMULSATWKAI-UHFFFAOYSA-N 323.343 3.221 0 40 DGAB Clc1ccccc1CN1CCC(CNCc2ncc[nH]2)CC1 66594268 BQGHVVBJLUEQSY-UHFFFAOYSA-N 318.852 3.065 0 40 DGAB O=C(CCn1ccc2ccccc21)NCc1nc2ccccc2[nH]1 71812107 ZYHBUEDIPYLMEL-UHFFFAOYSA-N 318.380 3.224 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=S)NC1CC(C)(C)NC(C)(C)C1 7570381 DXMZXLDBDTUPSJ-GXTWGEPZSA-N 311.539 3.338 0 40 DGAB O=C(CN1CCOc2ccccc21)NC1(c2ccccc2)CCC1 71969574 JDCIAMYCIFLPRW-UHFFFAOYSA-N 322.408 3.081 0 40 DGAB CC(=O)Nc1ccc(C)cc1NCC(=O)NC1CCC(C)CC1 68923990 DKACCXOWIZFNMB-UHFFFAOYSA-N 317.433 3.060 0 40 DGAB COC[C@H](NC(=O)c1cccnc1)c1cccc(C(F)(F)F)c1 70019703 WHNZERDGVLOHLM-AWEZNQCLSA-N 324.302 3.218 0 40 DGAB Cc1ncc2c(n1)CN(Cc1coc(-c3cccs3)n1)CC2 69510777 JECKEGFXLDPPSR-UHFFFAOYSA-N 312.398 3.060 0 40 DGAB O=c1c2ccc(Cl)cc2ncn1CCOc1ccccc1F 17735230 IKSPGOWQSXMPTI-UHFFFAOYSA-N 318.735 3.268 0 40 DGAB Cc1ccc(NCN2C(=O)[C@H]3CC[C@H](C)C[C@@H]3C2=O)cc1Cl 17986773 IOVOCCINDAIIPM-BPNCWPANSA-N 320.820 3.439 0 40 DGAB Cc1nc(N2C[C@H](C)O[C@H](C)C2)c2c3c(sc2n1)CCC3 18083284 DNWBNBXHRMJPTB-AOOOYVTPSA-N 303.431 3.102 0 40 DGAB NC(=O)c1ccccc1NC(=O)c1ccccc1C(F)(F)F 8936078 ZOLWVBIPIYIFPP-UHFFFAOYSA-N 308.259 3.057 0 40 DGAB C[C@H](c1cc(F)ccc1F)N1CCn2c(nnc2C2CC2)C1 72268432 VFKWGFQRNIDSAS-SNVBAGLBSA-N 304.344 3.011 0 40 DGAB C[C@](O)(CNC(=O)C1CC1)C(c1ccccc1)c1ccccc1 72289980 IKXIDBLJKCHPIO-FQEVSTJZSA-N 309.409 3.096 0 40 DGAB Cc1nc(CN(C)C(=O)N[C@H]2C[C@@H]2c2cccc(F)c2)cs1 84274684 CDXCARYWZHNEIO-CABCVRRESA-N 319.405 3.288 0 40 DGAB COc1ccccc1CC(=O)N1C[C@@H](C)Oc2cc(C)ccc21 72312796 GLPYIGGBDKLGFQ-CQSZACIVSA-N 311.381 3.360 0 40 DGAB CCc1onc(C)c1NC(=O)N[C@@H]1CCc2cc(F)ccc21 89412962 NVLJBTOQFUXLBK-CYBMUJFWSA-N 303.337 3.494 0 40 DGAB CCCN(C(=O)c1cn2cccnc2n1)c1ccc(Cl)cc1 75136952 SIGSDWAQEWMURR-UHFFFAOYSA-N 314.776 3.440 0 40 DGAB C[C@H]1CCCC[C@H]1N(C)C(=O)CSCc1nc(C2CC2)no1 89927632 HSIOPBZNLIPBPO-WCQYABFASA-N 323.462 3.217 0 40 DGAB CCN1CCc2c(cccc2NC(=O)N(C)[C@H]2CCSC2)C1 89977372 AEFHLBLXFCPHNP-AWEZNQCLSA-N 319.474 3.034 0 40 DGAB O=C1[C@@H]2[C@H](C(=O)N1Cc1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 409382995 SMKLXELWMBVSOF-GBOPCIDUSA-N 313.784 3.037 0 40 DGAB O=C(NCc1ccccc1)c1ccc(Cn2cc(Cl)cn2)o1 32610797 WVIBSTISTZBOBL-UHFFFAOYSA-N 315.760 3.108 0 40 DGAB O=C(Nc1cccc2c1OCCO2)c1cccnc1C(F)(F)F 188638996 LOFQGFFYFNWLLA-UHFFFAOYSA-N 324.258 3.124 0 40 DGAB Cc1cc(C(=O)NC[C@H](O)c2c(F)cccc2F)c(C)s1 77634935 SIZLWZCKDYQXMO-ZDUSSCGKSA-N 311.353 3.107 0 40 DGAB CCc1oc(C(=O)O)cc1CN1CC=C(C(F)(F)F)CC1 563282784 NMBGICXDSOAGJY-UHFFFAOYSA-N 303.280 3.235 0 40 DGAB Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2C(C)C)c(C)[nH]1 222816134 MGKPFBPHZMVSNC-CVEARBPZSA-N 314.458 3.407 0 40 DGAB Nc1ncc(-c2nc(-c3ccc(OC(F)F)cc3)no2)s1 89263083 QCCPOWKWAVVHDD-UHFFFAOYSA-N 310.285 3.044 0 40 DGAB Cc1cnc(-c2noc(-c3cccc([C@H]4CCCOC4)c3)n2)nc1 329737205 SYXYYVUSKHIGPQ-HNNXBMFYSA-N 322.368 3.396 0 40 DGAB O=C(Cc1cccc(Br)c1)NCCCc1ccco1 225623350 ZBBZKFYDDNCIRB-UHFFFAOYSA-N 322.202 3.334 0 40 DGAB c1ccc(CN2CC[C@H](c3nnc(-c4ccncc4)o3)C2)cc1 49169551 QMPFWHKCFMDKGE-INIZCTEOSA-N 306.369 3.121 0 40 DGAB biogenic,in-vitro COc1cc(C)c(C(=O)NCCCN2CCCC2)cc1C(C)C 225662438 KKWPEJCFNSNEIK-UHFFFAOYSA-N 318.461 3.343 0 40 DGAB CC(C)Oc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)cc1 42646732 XREYLOJMXHJQBE-CZUORRHYSA-N 318.417 3.107 0 40 DGAB CCCCO[C@H](Cc1ccc(Br)cc1)C(=O)O 225067169 ZYNDYEIBNBOTTP-GFCCVEGCSA-N 301.180 3.262 0 40 DGAB CCOc1ccc(NC(=O)C2(C)COC(C(C)C)OC2)cc1 225914190 CJWXYRKVGRGFSX-UHFFFAOYSA-N 307.390 3.059 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)[C@@H]([C@H]1CC=CCC1)N1CCC1=O 575443134 OZFDAWBXTMFCSM-SCLBCKFNSA-N 323.396 3.064 0 40 DGAB COc1cc(C)c(S(=O)(=O)N2CCc3ccccc32)c(C)c1 96659176 RIKZCAVGXNISAC-UHFFFAOYSA-N 317.410 3.063 0 40 DGAB Fc1ccc(-c2nnc(CN3CCOc4ccccc43)o2)cc1 96443270 KLVGBVUBIGXDQE-UHFFFAOYSA-N 311.316 3.275 0 40 DGAB COCCCCCn1c(=O)oc2cc(Br)ccc21 96428849 VHAQFQWZMGGSHY-UHFFFAOYSA-N 314.179 3.174 0 40 DGAB C[C@@H]1CN2C(=N[C@@H](c3ccccn3)[C@H]2c2ccc(O)cc2)S1 260766403 JWAHDGJZDNYHEF-XFBWCDHKSA-N 311.410 3.377 0 40 DGAB Clc1ccc(Br)cc1-c1nn2cnnc2s1 20154192 AONDVWKQROMQCC-UHFFFAOYSA-N 315.583 3.269 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N[C@@H](c1cccs1)C(C)C 65443291 GYUVYAUTGAUBKM-OAHLLOKOSA-N 320.462 3.409 0 40 DGAB O=C(CC(F)(F)F)NCc1ccc(Oc2ccccc2)nc1 69417243 GHDODDQEPOLDJX-UHFFFAOYSA-N 310.275 3.443 0 40 DGAB c1ccc(COc2ccc(CN3CCO[C@@H]4CCC[C@@H]43)cc2)nc1 71904867 LROVKGJVHVTQKZ-VQTJNVASSA-N 324.424 3.414 0 40 DGAB C[C@@]1(c2ccccc2)NC(=O)N(c2ccccc2Cl)C1=O 52879555 OBCRBDNDCWBSLH-INIZCTEOSA-N 300.745 3.312 0 40 DGAB OCCCCCSc1nnc(C2CC2)n1Cc1ccco1 58158922 AVHQRAWEBPXBFT-UHFFFAOYSA-N 307.419 3.052 0 40 DGAB FC(F)(F)c1cc([C@H]2CCCN(CCOCC3CC3)C2)n[nH]1 78900980 NRAJCDXOLKFZPB-LBPRGKRZSA-N 317.355 3.035 0 40 DGAB C[C@H]1CN([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H](C)O1 14118484 DDGPJLZDSPTSDB-FCEWJHQRSA-N 324.424 3.476 0 40 DGAB O=C(O)c1cccnc1-c1ccc(-c2ncccc2C(=O)O)cc1 1857793323 RCDYXBGXJQPVBC-UHFFFAOYSA-N 320.304 3.207 0 40 DGAB CCN1CCC2(CC1)CC(=O)c1cc(Br)ccc1O2 165393456 LEBHDTNWRNRVBX-UHFFFAOYSA-N 324.218 3.269 0 40 DGAB Cc1cc(C)c(NC(=O)[C@H](C)Sc2nnc(C)n2C)c(C)c1 6790329 ANORBUGOXDKIRC-LBPRGKRZSA-N 318.446 3.168 0 40 DGAB NC(=O)[C@@H](Sc1ncnc2sccc12)c1ccccc1 10340955 ZFHWTSWZNUFORL-NSHDSACASA-N 301.396 3.010 0 40 DGAB Cc1ccc(CN(C)C(=O)Nn2cnc3ccccc32)c(C)c1 10403257 HZOPVAVQOIGKPQ-UHFFFAOYSA-N 308.385 3.449 0 40 DGAB COc1ccc(Cl)c2sc(N3CCC[C@H](CO)C3)nc12 1889108932 HWNIOCNRRGOFNM-VIFPVBQESA-N 312.822 3.167 0 40 DGAB Cc1nccn1CC1CN(c2nc3c(F)cc(F)cc3s2)C1 1889149186 XVBZQBYDPGRVNX-UHFFFAOYSA-N 320.368 3.216 0 40 DGAB c1ccc2nc(N3CCC(COc4cnccn4)CC3)ccc2c1 1889186337 VTPXQFZODNLEOZ-UHFFFAOYSA-N 320.396 3.320 0 40 DGAB Clc1ccsc1CN1CCC(OC[C@H]2CCOC2)CC1 225625291 HUACGSPPRGLORI-LBPRGKRZSA-N 315.866 3.419 0 40 DGAB COc1cccc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)c1 4275949 QMCURZRPYWXBCV-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB NC(=O)c1ccsc1NC(=O)c1ccc(Cl)cc1Cl 4281517 UTLXENRZENFERN-UHFFFAOYSA-N 315.181 3.406 0 40 DGAB CN(C)c1cccc(C(=O)NCc2cncc(-c3ccco3)c2)c1 575414577 XLRWMUIMWWZVMN-UHFFFAOYSA-N 321.380 3.338 0 40 DGAB CCOC(=O)c1ccc2nc(NC(=O)c3ccco3)sc2c1 801216 WOUSKEGPVJGDDQ-UHFFFAOYSA-N 316.338 3.318 0 40 DGAB CC(C)(C)c1ccc(-c2cc3[nH]c4c(c(=O)n3n2)CCC4)cc1 5460825 ZUJYGHNIULKGQD-UHFFFAOYSA-N 307.397 3.476 0 40 DGAB FC(F)(F)c1ccn([C@@H]2CCCN(C[C@H]3CCC=CO3)C2)n1 249039862 UNBCKSOTSYHSSG-CHWSQXEVSA-N 315.339 3.232 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)Cc1c(F)cccc1Cl 40496783 IYTAMRTUYNRFCA-UHFFFAOYSA-N 317.769 3.199 0 40 DGAB CN(Cc1ccccc1)C(=O)Nc1cccc(C(=O)NC2CC2)c1 40526846 MUZYRBRUTDICTF-UHFFFAOYSA-N 323.396 3.243 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1cc2ccccc2c(=O)o1 204889 BXQSOAGTBNRTTR-UHFFFAOYSA-N 301.248 3.324 0 40 DGAB Cc1ccc(N2C[C@H](c3nc4ccccc4n3C)CC2=O)cc1 528365 XUUBUSWZMRKRKZ-CQSZACIVSA-N 305.381 3.402 0 40 DGAB CS(=O)(=O)N1N=C(c2ccc(Cl)cc2)C[C@H]1c1ccco1 87497 AVLALOHVMAFLHK-ZDUSSCGKSA-N 324.789 3.044 0 40 DGAB O=C(Nc1nc2ccccc2n1-c1ccccc1)c1csnn1 71186344 JKPISGBOIPUBTH-UHFFFAOYSA-N 321.365 3.129 0 40 DGAB CCc1ncc(C(=O)Nc2ccc(C(=O)O)c(Cl)c2)s1 97016186 ORDINCJJQRHZTM-UHFFFAOYSA-N 310.762 3.309 0 40 DGAB CC(C)(C)C1=Nn2c(COc3ccccc3)nnc2SC1 1417180 MWLOZFOISPFLHV-UHFFFAOYSA-N 302.403 3.213 0 40 DGAB O=C1OC(c2ccccc2)=N/C1=C\c1ccc(Br)o1 4714032 IRUDPSJSHUFUIY-FLIBITNWSA-N 318.126 3.387 0 40 DGAB CC(=O)N[C@H]1C[C@@H](C)N(C(=O)c2ccccc2)c2ccccc21 4728842 FZHLYHQWMXAQPH-DYVFJYSZSA-N 308.381 3.303 0 40 DGAB CC(C)N(Cc1cnn(C)c1)C(=O)[C@H]1CCCc2ccccc21 56026191 XBULGHNUBWCVKI-SFHVURJKSA-N 311.429 3.277 0 40 DGAB CCC[C@@H](C(=O)NCCNC(=O)c1ccccc1)c1ccccc1 25573669 NCNXJUHGXVPDQM-GOSISDBHSA-N 324.424 3.117 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=S)Nc1ccccc1 6238553 JUNPHMUWWBUQJP-UHFFFAOYSA-N 315.398 3.463 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cc(F)cc(F)c1)S[C@@H](C)C(=O)N2 6678398 NVSAFTNDXQICEY-MADCSZMMSA-N 309.341 3.160 0 40 DGAB COc1ccc(CN(C)C(=O)Cc2ccc(C)s2)cc1OC 57030092 GBBKWNHKYUHTTN-UHFFFAOYSA-N 319.426 3.275 0 40 DGAB N[C@H]1CN(Cc2cccc3cccnc23)C[C@@H]1c1ccc(F)cc1 108479099 LVRFBBPCNSGUFR-MOPGFXCFSA-N 321.399 3.301 0 40 DGAB CN(C(=O)CCc1cncc(F)c1)C1C2CC3CC(C2)CC1C3 97033597 ALFYQFZPOGPSTB-UHFFFAOYSA-N 316.420 3.436 0 40 DGAB O=C(NCc1ccccc1OC1CCCC1)Nc1nncs1 44972377 KEABCFTXAWFURX-UHFFFAOYSA-N 318.402 3.181 0 40 DGAB CC(C)c1cccc(C(C)C)c1NC(=O)C(=O)c1cnn(C)c1 58368648 UPLSMZINMMIEOJ-UHFFFAOYSA-N 313.401 3.488 0 40 DGAB CCCC[C@H](C(=O)O)[C@@H](C)CC(=O)Nc1ccc(C(=O)O)cc1 2291961 WWPYVKGNBYMDKE-FZMZJTMJSA-N 321.373 3.241 0 40 DGAB CCN(NC(=O)Cc1cn2cccc(C)c2n1)c1ccc(C)cc1 95347342 AQMGLYRKWDNRTO-UHFFFAOYSA-N 322.412 3.051 0 40 DGAB CC[C@@H](O)c1nc2ccccc2n1CC(=O)N(C)c1ccccc1 11692482 OWZOVAXWFVGKBV-QGZVFWFLSA-N 323.396 3.143 0 40 DGAB COc1ccccc1CNC(=O)CSc1ccccc1OC 60133968 DAYDDLRKTHAKJG-UHFFFAOYSA-N 317.410 3.112 0 40 DGAB CC[C@@H]1CCCCN1C(=O)CSc1nnc(-c2ccco2)o1 2625064 RHOLLPADFGDLBL-LLVKDONJSA-N 321.402 3.213 0 40 DGAB C[C@H](NC(=O)c1ccccc1Cl)[C@H](O)Cc1ccccc1 95431408 WJLYGVSJSBVJQQ-BLLLJJGKSA-N 303.789 3.062 0 40 DGAB C[C@@H](CCc1ccco1)NC(=O)c1cn2cc(Cl)ccc2n1 12323899 JYBKVBHXIOOHBO-NSHDSACASA-N 317.776 3.332 0 40 DGAB CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)C1CCCCC1 3220223 VJSFVTRKIBMYPN-UHFFFAOYSA-N 318.417 3.066 0 40 DGAB COc1ccccc1CNC(=O)c1ccc2nc(C)c(C)nc2c1 12752968 AOTGINHZEKTOKS-UHFFFAOYSA-N 321.380 3.185 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccccc2F)c1C 3365466 XECCJSKVKMPDOS-UHFFFAOYSA-N 319.332 3.304 0 40 DGAB COc1ccc2c(CC(=O)NCc3ccc(F)cc3)coc2c1 3474046 KWXDJTUOMHBVEK-UHFFFAOYSA-N 313.328 3.439 0 40 DGAB Cc1cc(C)cc(OCCN(C)CC(=O)NC2CCCCC2)c1 13011253 WUIIUQJASDYUEF-UHFFFAOYSA-N 318.461 3.063 0 40 DGAB CCN1CCC(NC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)CC1 13326245 VHNBUUWVLNTPQK-ZDUSSCGKSA-N 324.852 3.016 0 40 DGAB CCC(=O)N1CC[C@@]2(O)CCCC[C@H]2[C@@H]1c1ccc(OC)cc1 4073221 QQRYQGYWFJBEFE-WDSOQIARSA-N 317.429 3.300 0 40 DGAB biogenic Cc1coc(/C=C/C(=O)NCC(C)(C)c2ccc(F)cc2)n1 96012387 SQZBNYXZDKFNLE-CMDGGOBGSA-N 302.349 3.229 0 40 DGAB O=C1N[C](Nc2ccccc2F)S/C1=C\c1cccc(O)c1 408804198 DAZMPALHKRUOGX-UHFFFAOYSA-N 315.349 3.294 0 40 DGAB CC(C)(C)OC(=O)N1CCC(c2nc(-c3ccco3)n[nH]2)CC1 64875486 HPYNFURDYQXNDG-UHFFFAOYSA-N 318.377 3.179 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 65508307 GOXCRTQWWNVOET-DLBZAZTESA-N 314.360 3.229 0 40 DGAB CC[C@H](C)Sc1ccc(NC(=O)[C@@H]2CCC(=O)NC2)c(C)c1 65606827 KQADWRUHEUVENK-QWHCGFSZSA-N 320.458 3.350 0 40 DGAB CCOc1cc(CO)ccc1OCCOc1ccc(C)cc1 14186433 BYPVLYXEGJVVSB-UHFFFAOYSA-N 302.370 3.344 0 40 DGAB Cc1ccc(NC(=O)c2nn(-c3cccc(C)c3)ccc2=O)cc1 5484104 XIGOXEKASQAOKO-UHFFFAOYSA-N 319.364 3.102 0 40 DGAB O=C(O)CCCC(=O)Nc1ccc(OCc2ccccc2)cc1 4681518 QHWQEQFCGHLBRH-UHFFFAOYSA-N 313.353 3.459 0 40 DGAB Cc1nc(CCN[C@@H](Cc2ccncc2)C(F)(F)F)cs1 95419983 UCIBAHGSHWWONB-ZDUSSCGKSA-N 315.364 3.152 0 40 DGAB C[C@H](Oc1ccc(C(=O)c2ccccc2)cc1)C(=O)N1CCCC1 6910028 VIJZCZWWFCDMJQ-HNNXBMFYSA-N 323.392 3.307 0 40 DGAB Cc1nc(-c2cccc(NC(=O)N(C)Cc3ccccc3)c2)n[nH]1 71799578 QFSXJXANNBIYDI-UHFFFAOYSA-N 321.384 3.444 0 40 DGAB Cc1cc2c(cc1C)[C@H](NCC[C@@H](C)[S@](C)=O)CCCO2 90514951 TUEHNUMTURZHKW-IUSZMWJPSA-N 309.475 3.264 0 40 DGAB CC[C@H]1CN(C(=O)NCc2csc(C3CC3)n2)CCS1 96440150 YXYDYMQCGFCSPH-LBPRGKRZSA-N 311.476 3.058 0 40 DGAB COc1ccc([C@@H](C)NC[C@@](C)(O)c2ccc(C)o2)cc1F 95423190 BHDWSRDIUFGQGF-SJKOYZFVSA-N 307.365 3.294 0 40 DGAB COc1ccccc1C(=O)NCCOc1ccc(Cl)cc1 21904406 SKNVLRXOMKGMSC-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C)c(C)c1 8099143 YBCLCZYRCRLFPM-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB O=C(CN1CCC[C@@H]1Cc1cccc2ccccc12)NC1CC1 71845380 BWMZPIJSEVBXGH-GOSISDBHSA-N 308.425 3.125 0 40 DGAB Cc1cc(CSc2nnnn2-c2ccc(C(C)C)cc2)no1 8131239 KYCAHEHVHQMIBM-UHFFFAOYSA-N 315.402 3.374 0 40 DGAB COc1cc(F)c(NS(=O)(=O)c2ccc(C)cc2)cc1F 95412050 DFUHCIQTQLBHNO-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB COCCN(C(=O)c1cnc2snc(C)c2c1)C1CCCC1 69414528 ATRCZVRGYRDWOZ-UHFFFAOYSA-N 319.430 3.031 0 40 DGAB O=C(NCC(F)(F)F)c1cnc(Cc2ccc(F)cc2)s1 69492551 SHDDRUZFPPLESU-UHFFFAOYSA-N 318.295 3.165 0 40 DGAB C[C@H](O)CN1CCC(CN[C@@H](C)c2ccc(Cl)cc2)CC1 69513945 YBHBPPGTSVCVDM-KBPBESRZSA-N 310.869 3.083 0 40 DGAB Cc1ccc(NC(=O)CSCC(=O)N[C@@H](C)C(C)(C)C)cc1 71900027 PEIIDVBSXIAQHA-ZDUSSCGKSA-N 322.474 3.218 0 40 DGAB Nn1c(S[C@@H]2CCCc3ccccc32)nnc1C(F)(F)F 84581932 OPIXZFZKNYHDFX-SNVBAGLBSA-N 314.336 3.180 0 40 DGAB CCOC(=O)c1cn(Cc2ccccc2C)nc1C(F)(F)F 95955963 SIOUNLBOYRMUAL-UHFFFAOYSA-N 312.291 3.435 0 40 DGAB CCn1cc(CNc2cccc(Cn3nc(C)cc3C)c2)cn1 89306055 XSCPMAXCYGAEQC-UHFFFAOYSA-N 309.417 3.377 0 40 DGAB COc1ccccc1-n1[nH]c(-c2ccccc2Cl)cc1=O 9939845 ZWGMPGCZSCEOLV-UHFFFAOYSA-N 300.745 3.495 0 40 DGAB Cc1cc(C)c2c(c1)[C@](O)(CC(=O)c1ccccc1C)C(=O)N2 75106809 JDEGPNNGXWQXSV-LJQANCHMSA-N 309.365 3.025 0 40 DGAB CC(C)COc1ccccc1NC(=O)N(CCO)C1CCCC1 75109884 IPWQOXHHBVOFMF-UHFFFAOYSA-N 320.433 3.490 0 40 DGAB Cc1nc([C@@H](C)NC(=O)N2CCS[C@H](C(C)C)C2)cs1 76086119 XFKJRMZJFYMXDX-MFKMUULPSA-N 313.492 3.296 0 40 DGAB Cc1ccc(-c2nsc(C(=O)NCc3cccnc3)c2N)cc1 62007049 KDXMMYJJMOHALR-UHFFFAOYSA-N 324.409 3.026 0 40 DGAB Cc1cccc([C@@H]2NCc3cc4c(cc3-n3cccc32)OCO4)n1 55231395 FGRZNACKMKJKEK-IBGZPJMESA-N 319.364 3.102 0 40 DGAB CCOc1ccc(N(Cc2ccc(F)cc2)S(C)(=O)=O)cc1 408628255 VITFGGVXYAOICG-UHFFFAOYSA-N 323.389 3.191 0 40 DGAB CCC(CC)C(=O)Nc1ccc(S(=O)(=O)C(F)F)cc1 32969318 FSILHGPOTIOVAE-UHFFFAOYSA-N 305.346 3.058 0 40 DGAB CC[C@H](C)C(=O)NCc1nc(-c2ccc(OC)cc2)cs1 72264940 VJDCLZLQWIWNTB-NSHDSACASA-N 304.415 3.481 0 40 DGAB COc1ccc([C@@H](C)NC(=O)c2c(OC)cccc2OC)cc1 30750794 ICDGFJHDKCIIPL-GFCCVEGCSA-N 315.369 3.203 0 40 DGAB CC[C@H](NC(=O)c1cn[nH]c1C)c1nc(C(F)(F)F)cs1 73278374 WYYRBMCSVDXZJM-QMMMGPOBSA-N 318.324 3.075 0 40 DGAB COc1ccc(-c2nnc3sc(C4CCC4)nn23)cc1OC 36367261 QZNQPAZBXXKXAM-UHFFFAOYSA-N 316.386 3.138 0 40 DGAB Cc1nn(C)cc1[C@H](C)NC(=O)[C@@H](C)CCOc1ccccc1 73074985 YKDXJXOCROJDRN-KBPBESRZSA-N 315.417 3.011 0 40 DGAB CCCCOCCCNC(=O)Nc1cc(OC)ccc1OC 48354736 QLHDVMILPVWEGS-UHFFFAOYSA-N 310.394 3.032 0 40 DGAB Cc1cc(=O)n(C)cc1NC(=O)c1cccc(-c2ccoc2)c1 89821718 BLVOQAKZLLPNOT-UHFFFAOYSA-N 308.337 3.206 0 40 DGAB CCOc1ccc(NC(=O)[C@@]2(OC)CCC[C@H](C)C2)c(C)n1 225889369 GOGBERRIWPGZIS-YVEFUNNKSA-N 306.406 3.323 0 40 DGAB Cc1ccc(OCC(=O)N[C@@H](C)COc2ccc(C)cc2)cc1 222761923 HHPWQTGGCLFYAX-INIZCTEOSA-N 313.397 3.266 0 40 DGAB CC(C)Oc1ccc(N(C)S(=O)(=O)c2cccs2)cc1 193069899 BHGWHXUZPNRVOE-UHFFFAOYSA-N 311.428 3.360 0 40 DGAB CC(C)(C)c1ccc(C(=O)Nc2cnc(-n3cccn3)nc2)cc1 224242243 OBZSJFUEVHLPEU-UHFFFAOYSA-N 321.384 3.212 0 40 DGAB CCCN(CCC)C(=O)CCNC(=O)c1ccccc1Cl 44790683 VOGFHFAVNLHRPH-UHFFFAOYSA-N 310.825 3.109 0 40 DGAB Cc1csc(NC(=O)CN(C)[C@@H](C)c2ccc(C)s2)n1 49067945 UDLFJZNXJHZJJF-NSHDSACASA-N 309.460 3.453 0 40 DGAB Cc1cc(CC(=O)N2CCc3c(Cl)cc(Cl)cc3C2)n[nH]1 135604476 XJLIUXQNVTXQPJ-UHFFFAOYSA-N 324.211 3.152 0 40 DGAB Cc1cccc2c1CC(C)(C)N(C(=O)[C@H](C)c1cnn(C)c1)C2 573675118 PUJBAYGBYHKIBB-CQSZACIVSA-N 311.429 3.196 0 40 DGAB Cc1ccc(CN2CCC[C@@]3(CCN(C(=O)C4CCC4)C3)C2)o1 96215949 IREGMEBPWVZQML-LJQANCHMSA-N 316.445 3.203 0 40 DGAB COc1ccc(CNC[C@@H](C)Oc2ccccn2)cc1Cl 95472029 BWHTXUCMKWQCDJ-GFCCVEGCSA-N 306.793 3.301 0 40 DGAB O=C(O)COc1ccc(NC(=O)CC2CCCC2)cc1Cl 237956085 GZANVBLXKCSSRH-UHFFFAOYSA-N 311.765 3.322 0 40 DGAB Cc1nc(CO[C@@H]2CO[C@@]3(CCN(CC4CCC4)C3)C2)cs1 96072409 IXBCUGMTJCVEON-IRXDYDNUSA-N 322.474 3.002 0 40 DGAB O=C(O)C[C@H](NC(=O)/C=C/c1ccsc1)c1ccccc1 95389846 HTOSORJVRBPPIS-UZYOAWRESA-N 301.367 3.094 0 40 DGAB CC(=O)N(C)c1ccccc1NCc1nc2ccccc2n1C 96482888 BASQVCNDBWGPTE-UHFFFAOYSA-N 308.385 3.168 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@@H]1c1ccc[nH]1 96461093 XYVGAOSMACTSKE-TZMCWYRMSA-N 301.415 3.254 0 40 DGAB C[C@@H](Cc1noc(-c2ccoc2)n1)N(C)C(=O)OC(C)(C)C 96483023 CGOZQSHDOHNFGG-JTQLQIEISA-N 307.350 3.128 0 40 DGAB CCc1ccc(-c2c(C)sc3nc(CCC(=O)O)nn23)cc1 95095800 RRLUQLVSFCFUGL-UHFFFAOYSA-N 315.398 3.346 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CNC1CCN(C[C@H]2CCOC2)CC1 248430884 WNBOKGZMGSWSCE-YQVWRLOYSA-N 306.494 3.069 0 40 DGAB O=C(NCc1cocn1)Nc1ccc2c(c1)OC1(CCCC1)O2 584906778 YLRKDMOEUBNKQG-UHFFFAOYSA-N 315.329 3.038 0 40 DGAB O=C1CCN(C(=O)c2ccc(Cl)o2)[C@@H](c2ccccc2)C1 585124636 KLWNGRURYLPZHA-CYBMUJFWSA-N 303.745 3.479 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)Nc1ccccc1[C@@H]1CCC(=O)N1 585128811 NXALKUXELQUXDG-ZJOBFFGXSA-N 312.413 3.403 0 40 DGAB O=C(c1cc2c(s1)CCC2)N1CCC[C@@H](c2cnccn2)C1 257208100 BKTJWLCVTCQVML-CYBMUJFWSA-N 313.426 3.047 0 40 DGAB O=C(c1n[nH]c2ccccc12)N1CCC[C@H]1CCc1ccncc1 257232961 GNDBRHVGVPDJNE-HNNXBMFYSA-N 320.396 3.195 0 40 DGAB O=C(Nc1ccccc1)N1CCCN(Cc2cccs2)CC1 31090809 KGIBGQWJEHYILI-UHFFFAOYSA-N 315.442 3.488 0 40 DGAB O=C(C[C@H]1CCCO1)Nc1cnn(-c2ccccc2Cl)c1 71882880 KMGCOBZJJABGEC-GFCCVEGCSA-N 305.765 3.033 0 40 DGAB O=C(Cn1ccc2ccc(F)cc21)Nc1ccn2ccnc2c1 1535115155 CZIGPUFHUJDVLM-UHFFFAOYSA-N 308.316 3.067 0 40 DGAB COc1cc(CCNC(=O)N2C[C@@H](C)CCC[C@@H]2C)ccc1O 74265035 NITZLUUZPRZWJV-KBPBESRZSA-N 320.433 3.163 0 40 DGAB Cc1ccc([C@H](C)NC(=O)N[C@@H]2CCO[C@]3(CCSC3)C2)o1 95426116 SFTJXJHKFMPECX-WOSRLPQWSA-N 324.446 3.003 0 40 DGAB O=C(C[C@H]1Nc2ccccc2OC1=O)Nc1ccccc1Cl 14608256 JSSFWKAMVCBVRM-CYBMUJFWSA-N 316.744 3.068 0 40 DGAB O=C1CCc2cc(NC(=O)c3cccc(Cl)c3)ccc2N1 17149950 UCEVFIOSRIXPSN-UHFFFAOYSA-N 300.745 3.477 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(Cl)c(C(=O)O)c1 18193960 ZDJAVXUGICXDAT-UHFFFAOYSA-N 305.717 3.056 0 40 DGAB C[C@H](Cn1cncn1)C(=O)Nc1ccc(-c2cccc(F)c2)cc1 19457902 QGROSROLMMYMOJ-CYBMUJFWSA-N 324.359 3.359 0 40 DGAB O=C(Nc1ccc(OC(F)F)cc1)c1cc2c(nn1)CCCC2 1888879296 DRIPCBBCQNPBPM-UHFFFAOYSA-N 319.311 3.209 0 40 DGAB CC(C)(C)OC(=O)N[C@H]1CC[C@H](NCc2ccncc2)CC1 100809735 WOKTWTRIWZPVMJ-GASCZTMLSA-N 305.422 3.007 0 40 DGAB CC(C)c1nccn1CC1CN(c2nc3ccccc3n2C)C1 2087144455 OLVGUBJGDQXNAZ-UHFFFAOYSA-N 309.417 3.030 0 40 DGAB O=C(N[C@@H]1CCCN(Cc2cccc3ccccc23)C1)C1CC1 1006518053 AQVJZHZQZFOCED-GOSISDBHSA-N 308.425 3.330 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(Cc1ccncc1)CC2 101491309 MQOXMOPVYACZJE-HOTGVXAUSA-N 317.433 3.055 0 40 DGAB CCc1cccc(NC(=O)CN2CCC[C@@H]2c2cc(C)no2)c1 52008530 CJYWHXPWJPIHIB-MRXNPFEDSA-N 313.401 3.321 0 40 DGAB COc1ccc(C2=C[C@@H](c3ccsc3)n3ncnc3N2)cc1 102066593 PVOLCECBRBPIRA-HNNXBMFYSA-N 310.382 3.404 0 40 DGAB Cc1ccc(N2C(=O)/C(=C/c3cccs3)NC2=S)cc1 367344 PFBLPGBHBXAROM-LCYFTJDESA-N 300.408 3.319 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)NCC1(c2ccccc2)CCC1 22766366 BBLSTNARRRKICQ-UHFFFAOYSA-N 317.820 3.234 0 40 DGAB CCCc1nc2ccccc2n1C[C@H](O)COc1ccccc1 857461 HEFWNTVSMLDIQH-HNNXBMFYSA-N 310.397 3.429 0 40 DGAB O=C(Nc1cc[nH]n1)c1ccc(Br)cc1Cl 42414555 GFJJNWBLHZFTET-UHFFFAOYSA-N 300.543 3.078 0 40 DGAB CCOCc1ccccc1CNC(=O)Nc1cc(C)ns1 84802789 FLUMXDKXKCCXID-UHFFFAOYSA-N 305.403 3.310 0 40 DGAB Cc1nnc(NC(=O)COc2cc(C)c(Cl)c(C)c2)s1 141517 NCHZDABBIPYZOW-UHFFFAOYSA-N 311.794 3.134 0 40 DGAB CC[C@](C)(C(=O)NC1CCCC1)N(Cc1cccs1)C(C)=O 246412 DHEATLGDFQKZLS-QGZVFWFLSA-N 322.474 3.324 0 40 DGAB Cc1cccc(C)c1NC(=O)[C@H]1CCCN1C(=O)OCC(C)C 260509 NDURNMRMSLIKQQ-OAHLLOKOSA-N 318.417 3.499 0 40 DGAB CC(C)N1CCC(N(C)C(=O)CSc2ccccc2)CC1 43114875 CMUKAMPXRJNXKA-UHFFFAOYSA-N 306.475 3.110 0 40 DGAB CCOC(=O)c1nn(-c2ccc(-c3ccccc3)cc2)cc1O 1098257 ICPQKVREJKCVLA-UHFFFAOYSA-N 308.337 3.422 0 40 DGAB CCc1cccc(C)c1NC(=O)C(=O)Cc1nc2ccccc2o1 1624456 SOPKGDXOQICGIZ-UHFFFAOYSA-N 322.364 3.449 0 40 DGAB CCC[C@H](NC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 25054683 DPUOAVZFRNVUNQ-HNNXBMFYSA-N 324.380 3.289 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2cccc(OC)c2)cc1 3607695 KHICYAPXNZPRLL-UHFFFAOYSA-N 313.353 3.305 0 40 DGAB COc1ccc2c(c1N)CC[C@@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]21 6043886 YNHMOPDDKJEIJS-UBQXRGRESA-N 301.430 3.494 0 40 DGAB CCOc1ccccc1[C@@H]1S[C@H](C)C(=O)Nc2[nH]nc(C)c21 6678522 ORDMDCPFAAQQGP-YGRLFVJLSA-N 317.414 3.280 0 40 DGAB CCOc1cc(C)c(/C=C2/NC(=O)N(C)C2=O)cc1C(C)C 6958318 SACDCWAMRWIPCI-NTEUORMPSA-N 302.374 3.040 0 40 DGAB Cc1cccc(NC(=O)[C@@]23CC[C@](C)(C(=O)O2)C3(C)C)c1C 100284450 GVNFPJVIVKCVBK-QZTJIDSGSA-N 301.386 3.364 0 40 DGAB Cc1ccc(CS(=O)(=O)NCCCc2ccc(F)cc2)cc1 10543338 UVXMWWNNQKCMOE-UHFFFAOYSA-N 321.417 3.186 0 40 DGAB CCOc1ccc(C(=O)N[C@H](C)c2cc(C)ccc2OC)cn1 58157620 IEBLPKUKYHSJPT-CYBMUJFWSA-N 314.385 3.288 0 40 DGAB COCc1ccccc1C(=O)NC[C@]1(N(C)C)CCC[C@H](C)C1 58155498 COQFDLHSDABPOK-KXBFYZLASA-N 318.461 3.073 0 40 DGAB O=C(CNCc1ccc(F)cc1)N[C@@H]1CCCc2ccccc21 58160849 KXOLXCZNQSZOHA-GOSISDBHSA-N 312.388 3.109 0 40 DGAB CCCN(CC(F)(F)F)C(=O)c1cc(F)cc2[nH]cnc12 58271885 NUPSRNGSNCRCRD-UHFFFAOYSA-N 303.259 3.117 0 40 DGAB Cc1cc([C@@H]2CCCN2C(=O)Nc2nnc(C(C)C)s2)on1 44972497 NMIFJIBDRMMQKG-JTQLQIEISA-N 321.406 3.327 0 40 DGAB CC[C@H]1Oc2cc(O)ccc2N(Cc2cccc(F)c2)C1=O 36261268 DEHSYWYOUUXDNM-OAHLLOKOSA-N 301.317 3.236 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC[C@H]1C 59843309 FJERJMRAFZCMAX-LLVKDONJSA-N 318.808 3.244 0 40 DGAB CCCCOc1ccc(S(=O)(=O)N2CCCC2)c(C)c1C 27823689 FXUYNOQZPBAJLD-UHFFFAOYSA-N 311.447 3.267 0 40 DGAB C[C@H](NC(=O)CC(F)(F)F)c1nc(-c2ccncc2)cs1 95394905 YDFRNWYPJXZHJY-QMMMGPOBSA-N 315.320 3.335 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(OC)c3)C2=O)cc1 101275783 RTNWYCJZTWPTSA-QGZVFWFLSA-N 324.380 3.002 0 40 DGAB S=C1NCN(Cc2ccccc2)CN1c1ccccc1Cl 12376432 LIZFBJVAGNDXNM-UHFFFAOYSA-N 317.845 3.452 0 40 DGAB COCCCCNC(=O)Nc1cccnc1Oc1ccccc1 48262988 OYHNZQMOLDYSNL-UHFFFAOYSA-N 315.373 3.422 0 40 DGAB Cc1ccc(NC(=O)CN(C)C(=O)c2cc3ccccc3o2)cc1 3555469 OFHIPXOROQIGNF-UHFFFAOYSA-N 322.364 3.452 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2c(C)n[nH]c2C(F)F)cc1 95457215 LGBOCHNDVYLPLJ-UHFFFAOYSA-N 315.345 3.019 0 40 DGAB COc1ccccc1-c1noc(CN(C)Cc2cccs2)n1 12987557 PKKSUTYODUNBTJ-UHFFFAOYSA-N 315.398 3.439 0 40 DGAB O=C(Cn1ccnc1)Nc1c(O)c(Cl)cc(Cl)c1Cl 96004061 XIFIRPVUFPXGHA-UHFFFAOYSA-N 320.563 3.188 0 40 DGAB COc1cccc(N2CCN(C(=O)c3sccc3C)CC2)c1 5094448 FHBMCNVVPBMGMC-UHFFFAOYSA-N 316.426 3.028 0 40 DGAB Cc1cc(OCCCC(=O)Nc2ccc[nH]c2=O)ccc1Cl 65475782 UVTYPHXKNHGOJJ-UHFFFAOYSA-N 320.776 3.134 0 40 DGAB CC(C)CSc1nc(O)c2cnn(-c3ccccc3)c2n1 6493078 XPBZDZRWGQELRV-UHFFFAOYSA-N 300.387 3.269 0 40 DGAB CCc1cccc(C)c1Nc1nnc(S[C@H](C)C(N)=O)s1 9364601 QTAXTZQNAYPZDA-SECBINFHSA-N 322.459 3.118 0 40 DGAB CCOc1cc(C)c(C(C)C)cc1S(=O)(=O)n1ccnc1C 4649684 FLDQJQMUSSSMSE-UHFFFAOYSA-N 322.430 3.259 0 40 DGAB CC(C)c1ccc(CN2C(=O)C(=O)N(C3CCCC3)C2=O)cc1 5628946 PABTWTKHMOVUPR-UHFFFAOYSA-N 314.385 3.043 0 40 DGAB CCn1c(CCNC(=O)Cc2cccs2)nc2ccccc21 65929794 RKQBOPOJJHHJHP-UHFFFAOYSA-N 313.426 3.019 0 40 DGAB CCOc1ccc(N[C@@H](CC)C(=O)Nc2nnc(C)s2)cc1 7460462 UUDQCKKMBUPBJV-ZDUSSCGKSA-N 320.418 3.074 0 40 DGAB CCOC(=O)CS[C@H](C)C(=O)Nc1ccc(F)cc1Cl 7506427 TXEJFOMXHSIJQD-MRVPVSSYSA-N 319.785 3.102 0 40 DGAB COc1ccc2[nH]c(C(=O)N3CCc4ccccc4C3)cc2c1 9581805 LEMOCRGTUULSCG-UHFFFAOYSA-N 306.365 3.375 0 40 DGAB CCSc1ccc(C(=O)N(Cc2ccccn2)C2CC2)cn1 68718927 HPCKXZWJESEUGB-UHFFFAOYSA-N 313.426 3.393 0 40 DGAB CCOc1ccc([C@@H](C)NC(=O)c2cc(C)on2)cc1OCC 7976951 TYFPQZIYOQGATQ-GFCCVEGCSA-N 318.373 3.271 0 40 DGAB COc1ccc(C2(c3nnc([C@@H]4C[C@@H]4C)o3)CCOCC2)cc1 71889988 RJQXECAXZPDMDA-SWLSCSKDSA-N 314.385 3.298 0 40 DGAB Cn1c([C@H](NC(=O)NC2CC2)c2ccccc2)nc2ccccc21 69708167 ZJGJVQGCEWKBPM-QGZVFWFLSA-N 320.396 3.124 0 40 DGAB COc1cc(C(=O)Nc2nccs2)ccc1OCC(C)C 8745547 DDYWGROQJYNHHP-UHFFFAOYSA-N 306.387 3.439 0 40 DGAB CC[C@@H](C)[C@H](NC(=O)c1cc2c(s1)CCCCC2)C(=O)O 8762481 DGFYSPFQNRFWPU-YGRLFVJLSA-N 309.431 3.246 0 40 DGAB CCc1ccsc1CN[C@H](C)c1ccc(-n2cnnn2)cc1 95969176 BOTRAZAJXHFRSG-GFCCVEGCSA-N 313.430 3.137 0 40 DGAB O=C(Nc1cccc(CSC2CCCC2)c1)N1CC[C@@H](O)C1 84374432 MFHJFWXAIFZJQO-OAHLLOKOSA-N 320.458 3.461 0 40 DGAB O=C(CCn1ccc2c(Cl)cccc21)NCc1ccncc1 72405747 RVQCJWYZZMNPLL-UHFFFAOYSA-N 313.788 3.396 0 40 DGAB Cc1occc1C(=O)N[C@H]1CCCN(c2ccccc2F)C1 95977611 YHVOKEXEVWRJPL-ZDUSSCGKSA-N 302.349 3.126 0 40 DGAB C[C@@H](CC(=O)c1ccccc1)NC(=O)CCc1ccsc1 89894616 GDRXLCCKJSXFHZ-ZDUSSCGKSA-N 301.411 3.458 0 40 DGAB COCCN1C(=O)S/C(=C/c2ccc(C(C)C)cc2)C1=O 409148746 RDXTXCGWXRAPMP-GXDHUFHOSA-N 305.399 3.493 0 40 DGAB CCOc1cc(/C=C\C(N)=O)ccc1OCc1ccc(F)cc1 409416190 WYYIFKOWOSVVIM-POHAHGRESA-N 315.344 3.302 0 40 DGAB COC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(Cl)cc1 113721133 RIHNYKFQUWABML-GFCCVEGCSA-N 313.781 3.469 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COc2ccc(N)cc2F)CC1 67800898 KLQVHGZWTWPUEG-UHFFFAOYSA-N 324.396 3.434 0 40 DGAB O=C(CN1CCC(C(F)(F)F)CC1)Nc1ccccc1F 174188500 LQPKBUMRUXRHSQ-UHFFFAOYSA-N 304.287 3.039 0 40 DGAB O=C(Nc1ccccc1Cl)c1ccnc(C2CCNCC2)c1 72365603 JCNUGRQCFKWARH-UHFFFAOYSA-N 315.804 3.454 0 40 DGAB Cc1ccc(NC(=O)c2n[nH]nc2Nc2ccccc2F)cc1 72333454 WPRLZCBHCIEWGQ-UHFFFAOYSA-N 311.320 3.248 0 40 DGAB CC[C@@H]1CCC[C@@H](NC(=O)N(C)Cc2nccn2C(F)F)C1 77611236 PUUCVSSTBYEZIP-VXGBXAGGSA-N 314.380 3.388 0 40 DGAB Cc1cccc(CC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)c1 74583977 WJJJUZOVOSKATE-KRWDZBQOSA-N 323.392 3.282 0 40 DGAB C[C@H](CN1CCC[C@@H]1c1nncn1C)c1cccc(Cl)c1 187403484 GIGSBEMMPNFGKL-IUODEOHRSA-N 304.825 3.409 0 40 DGAB CNC(=O)c1cc(N)ccc1Nc1cc(Cl)ccc1OC 225482386 PCHQJGYYIFVTJS-UHFFFAOYSA-N 305.765 3.034 0 40 DGAB CN1CCN(c2ccc3c(Cl)c(C(=O)O)sc3c2)CC1 228938333 FIFKVUFAQVJPJF-UHFFFAOYSA-N 310.806 3.005 0 40 DGAB Cn1cnnc1CSCc1cccc(C(=O)OC(C)(C)C)c1 192593081 XOKOVOSJWBMOPG-UHFFFAOYSA-N 319.430 3.204 0 40 DGAB COc1ccc(NC(=S)NCCCOC2CCCCC2)cn1 225618877 WFBKKINNQCCXAV-UHFFFAOYSA-N 323.462 3.116 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCCC2CCCC2)cc1Cl 41827406 RJNQDILDJDCVDD-UHFFFAOYSA-N 308.809 3.283 0 40 DGAB C[C@@H](Cc1ccc(F)cc1)Nc1ccc2c(c1)OCC(=O)N2 136917827 JFSZTHPNINUMCL-NSHDSACASA-N 300.333 3.200 0 40 DGAB COc1cccnc1NC(=S)NCCCc1ccc(F)cc1 225548751 QXHBPYLXBVRFSE-UHFFFAOYSA-N 319.405 3.149 0 40 DGAB O=[S@@](Cc1ccc(-n2cccn2)cc1)c1ncccc1Cl 195562659 PFCPTHDWOYADRP-NRFANRHFSA-N 317.801 3.229 0 40 DGAB COc1ccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c(Cl)c1 97099165 XYGUHGXGRJRFEN-SECBINFHSA-N 322.796 3.133 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2ccc(C)cc2)cc1C 96659157 CVRKCHBRAAPTQQ-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB O=C(/C=C/c1cccnc1)N(Cc1ccccc1)CC(F)F 96432668 JKPYGLPXPYCVBG-CMDGGOBGSA-N 302.324 3.389 0 40 DGAB CCOC1(C(=O)N[C@@H]2Cc3ccc(Cl)cc3C2)CCCC1 585081279 XATWMJYXSQXHTR-OAHLLOKOSA-N 307.821 3.273 0 40 DGAB Cc1ccc(CN2CC3(CCN(Cc4ccncc4)C3)C2)s1 96202552 NSXZHIIXJQBQRS-UHFFFAOYSA-N 313.470 3.159 0 40 DGAB CCCCOc1ncccc1CNC(=O)CCCCC[C@@H](C)O 585121166 HPDCXMKIGMIDIC-OAHLLOKOSA-N 322.449 3.208 0 40 DGAB Cc1nccc([C@@H]2CCCN(C(=O)c3ccc(C)s3)C2)n1 257237058 HEYMOAGWKDEJNG-CYBMUJFWSA-N 301.415 3.175 0 40 DGAB Cc1ccc2cc(CNC(=O)c3cc(C)oc3C)c(O)nc2c1 585295188 PBEZMJNQSZOSSM-UHFFFAOYSA-N 310.353 3.389 0 40 DGAB CC(C)[C@H](Nc1ccc2c(c1)C(=O)NCC2)c1ccc(F)cn1 679389510 GPTLXRWIULXCHA-KRWDZBQOSA-N 313.376 3.316 0 40 DGAB O=C([C@H]1CCCN1C(=O)c1cccs1)N1CCCCCCC1 70675295 KEGVRRAFRMUCGC-CQSZACIVSA-N 320.458 3.145 0 40 DGAB O=C(NCCNc1ccccc1)Nc1cccc2cccnc12 72289174 WHZDJBVEFFJVNA-UHFFFAOYSA-N 306.369 3.468 0 40 DGAB Cc1noc(C)c1CN(Cc1c(C)noc1C)C(=O)[C@@H]1C[C@@H]1C 76018081 CLQDMMTZLAMKGV-LKFCYVNXSA-N 317.389 3.081 0 40 DGAB CCc1cnc(CCNC(=O)c2cccc3ncccc23)s1 76066865 SHVYODSGSWJAHX-UHFFFAOYSA-N 311.410 3.226 0 40 DGAB CCC(CC)NC(=O)Nc1ccnc(OCC(F)(F)F)c1 95463764 NJNMERUYUMSOIF-UHFFFAOYSA-N 305.300 3.333 0 40 DGAB C[C@@H](NC(=O)Cc1ccc(Br)cc1)c1ccncc1 5226816 UZNCUVLMUYHKJR-LLVKDONJSA-N 319.202 3.264 0 40 DGAB C[C@@H]1CCCN(c2ncc(-c3cnccn3)c(-c3ccco3)n2)C1 12184617 NTZLWGRJIZONOZ-CYBMUJFWSA-N 321.384 3.430 0 40 DGAB CCCc1c(C)nc2ncnn2c1NCc1cccc(OC)c1 13364959 DEIMRRSDHKZWTI-UHFFFAOYSA-N 311.389 3.006 0 40 DGAB CCCOc1ccccc1N1C(=O)[C@H]2[C@@H]3C=C[C@@H](CC3)[C@@H]2C1=O 13940175 XVDMGTJGIMNTPP-RMHZUWNSSA-N 311.381 3.177 0 40 DGAB COc1ccccc1NC(=O)NCCCN(C)c1ccccc1 18177986 JDFDIZGNIXPXBC-UHFFFAOYSA-N 313.401 3.343 0 40 DGAB c1ccc(-c2cn(-c3cccc(N4CCCCC4)n3)nn2)cc1 1889263470 VZAYWBFFXNSMJW-UHFFFAOYSA-N 305.385 3.320 0 40 DGAB O=C(Cc1csc(Nc2ccccc2)n1)NCc1cccnc1 16850007 KPHJLOUNSOOHMI-UHFFFAOYSA-N 324.409 3.141 0 40 DGAB CC1(CNC(=O)Nc2cnn(CC(F)(F)F)c2)CCCC1 77716395 GLNPWMBJDFWBAX-UHFFFAOYSA-N 304.316 3.147 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)Cn1nnc2ccccc21 6998944 QHPPLNFKEFMOTC-UHFFFAOYSA-N 300.749 3.032 0 40 DGAB CCN1C[C@@H](CN(C)Cc2ccccc2C#N)Oc2ccccc21 15583251 FAOSPZXKOZLJTK-GOSISDBHSA-N 321.424 3.278 0 40 DGAB O=C(Nc1nnc2ccccn12)C1(c2ccc(F)cc2)CCCC1 40090334 UFCYIVHUOAXYTL-UHFFFAOYSA-N 324.359 3.319 0 40 DGAB O=C(NCc1ccccc1)N[C@H]1CCCN(Cc2ccccc2)C1 40088358 HZBJHOOYTAWBLK-IBGZPJMESA-N 323.440 3.150 0 40 DGAB Cc1ccc(C)c2sc(NC(=O)COCC(F)(F)F)nc12 40131075 SLKMZJLYBOLQQM-UHFFFAOYSA-N 318.320 3.431 0 40 DGAB CC1(C)C[C@H](c2nn3c(-c4ccco4)nnc3s2)CCO1 32096637 DGUNMPMSHWHPBN-SECBINFHSA-N 304.375 3.118 0 40 DGAB Cc1cc(=O)n2nc(Oc3ccc(Cl)c(C)c3)sc2n1 32824958 GOCOTKVUBNIGSO-UHFFFAOYSA-N 307.762 3.214 0 40 DGAB COCc1ccc(C(=O)Nc2ccc(NC(=O)C(C)C)cc2)o1 32841377 QODSHVTXSWCIMI-UHFFFAOYSA-N 316.357 3.273 0 40 DGAB C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(O)CC1 33040073 JUXKHCAKAWBLFY-OAHLLOKOSA-N 324.424 3.137 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H]2C[C@H]3CC[C@@]2(C)C3(C)C)cc1 103084480 ZFIKFIGEFIKPRP-SRCQZFHVSA-N 323.458 3.188 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(CN(C)S(=O)(=O)c2cccc(F)c2)o1 22246125 PGYRRVXPMAXMLS-NHYWBVRUSA-N 323.389 3.363 0 40 DGAB Cc1cccc(C)c1N(CCCc1cccnc1)C(=O)[C@@H](C)N 4776 YYGZCHLVUTUNGZ-MRXNPFEDSA-N 311.429 3.011 0 40 DGAB in-man CCOc1ccc(NC(=O)[C@@H]2CC(=O)N(c3ccccc3)C2)cc1 44782 NXWFXRFPBWXXBV-CQSZACIVSA-N 324.380 3.077 0 40 DGAB CCOc1ccc(NC(=O)CN2CCCc3ccccc32)cc1 133466 CKJDBHODSSPOBG-UHFFFAOYSA-N 310.397 3.477 0 40 DGAB Cc1ccccc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)OC(C)C 136055 PRMUSLCYUHKRLC-GJZGRUSLSA-N 301.386 3.468 0 40 DGAB Cc1ccc(OCC(=O)Nc2nnc(C)s2)c(C(C)(C)C)c1 141522 PHXGOJUDFBBLBA-UHFFFAOYSA-N 319.430 3.470 0 40 DGAB C[C@H]1CCCC[C@@H]1NC(=O)c1ccc(N2CCCC2=O)cc1 260253 SQVDVDSCVDSNEV-BBRMVZONSA-N 300.402 3.122 0 40 DGAB COc1ccc(C(=O)[C@@H](c2ccccc2)C(OC)OC)cc1 367566 RSNOSHIYSMYWFG-MRXNPFEDSA-N 300.354 3.281 0 40 DGAB CCOc1cc(/C=C2/SC(=O)N(C(C)C)C2=O)ccc1O 1018445 ZZEOQNFSNQSUER-MDWZMJQESA-N 307.371 3.236 0 40 DGAB CC(C)Cn1cnc2c(SCc3ccccc3)nc(N)nc21 1675228 NMYLQUCXBWTJHH-UHFFFAOYSA-N 313.430 3.357 0 40 DGAB COC(=O)c1c(NC(=O)c2cccc(F)c2)sc2c1CCC2 1929767 RMJMIPDETNADIQ-UHFFFAOYSA-N 319.357 3.415 0 40 DGAB CCn1nc(C)c(C(=O)Nc2ccn(Cc3ccccc3)n2)c1C 2743501 WYENMTBQMNJNKV-UHFFFAOYSA-N 323.400 3.017 0 40 DGAB COc1ccc(Cc2nnc(-c3nn(C)c(C)c3Cl)o2)cc1 2805033 MZPZJONQSGBUEZ-UHFFFAOYSA-N 318.764 3.031 0 40 DGAB Cc1ccc(C(=O)N2CCN=C2SCc2cccnc2)cc1 4061126 BNQATKGSNIWVGZ-UHFFFAOYSA-N 311.410 3.135 0 40 DGAB Cc1ccc([C@]2(C)NC(=O)N(Cc3ccccc3F)C2=O)cc1 5341954 UEHZVROGQKUBST-SFHVURJKSA-N 312.344 3.101 0 40 DGAB O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(F)c(F)c1 5439775 REAFTVJCVARWHT-UHFFFAOYSA-N 316.307 3.344 0 40 DGAB Nc1c(-c2nc3ccccc3[nH]2)cnc2nc3ccccc3n12 5590095 JQUTVTKRJPMROG-UHFFFAOYSA-N 300.325 3.008 0 40 DGAB O=C1N[C@]2(CCCc3sccc32)C(=O)N1Cc1ccccc1 5680310 OPYSQCDHRKAFOB-KRWDZBQOSA-N 312.394 3.032 0 40 DGAB CCC(=O)N(Cc1cc(=O)[nH]c2ccccc12)c1ccccc1 5903786 PIVSDFAKUKVXIZ-UHFFFAOYSA-N 306.365 3.471 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)c1 7032356 TYTYAGWZUKXVGJ-UHFFFAOYSA-N 305.280 3.069 0 40 DGAB Cc1ccccc1C(=O)N1CCC(C(=O)Oc2ccccc2)CC1 7657552 PTVZUBUXDOGCRC-UHFFFAOYSA-N 323.392 3.453 0 40 DGAB Cc1cc(C(=O)O[C@@H](C)C(=O)N[C@@H]2CCCC[C@@H]2C)c(C)o1 7746434 KGEFZZVTWCTPPL-VZJVUDMVSA-N 307.390 3.137 0 40 DGAB COc1ccccc1NC(=O)c1c(N)sc(C(C)=O)c1C 8536141 IJQWJFGWCJQUNQ-UHFFFAOYSA-N 304.371 3.102 0 40 DGAB CC(=O)Nc1nc(COC(=O)c2cccc(C)c2C)cs1 9051347 YMKCZCJSSHMCSH-UHFFFAOYSA-N 304.371 3.075 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@@H](C)c2ccccc2C)c1 9155064 ITYUAIJOSRVREX-AWEZNQCLSA-N 311.381 3.454 0 40 DGAB Cc1cccc(Nc2nc(N3CCCCC3)nc3c2cnn3C)c1 9273206 CXVXCRNKYLFIRX-UHFFFAOYSA-N 322.416 3.406 0 40 DGAB C[C@H]1CCCCN1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 10383771 CLDPFFQOCOTUIH-XXZQBKANSA-N 321.505 3.455 0 40 DGAB COc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccc(F)cc2)cc1 10519554 SGBLVIVXRZDRGZ-GFCCVEGCSA-N 323.389 3.216 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2-c1ccc(F)cc1)C1CCC1 12183166 LSKZKGVVSRXBKW-MRXNPFEDSA-N 313.376 3.305 0 40 DGAB COc1ccc(NC(=O)/C=C/c2csc(C)n2)c(OC)c1 12228796 ZNSHULNGFQERPV-QPJJXVBHSA-N 304.371 3.121 0 40 DGAB COc1ccccc1C(=O)Nc1cccc(NC(=O)C2CC2)c1 13012522 XANXILXHRBBCAG-UHFFFAOYSA-N 310.353 3.296 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)c1 13469947 UGHKGBZJVKFHOJ-CHWSQXEVSA-N 317.385 3.295 0 40 DGAB CCOC(=O)Oc1c(CC)c(C)nn1-c1nc2ccccc2[nH]1 13611114 ZDEBVZVCIXOFJB-UHFFFAOYSA-N 314.345 3.155 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(CC(=O)NC3CC3)cc2)cc1 13715981 OGJHBJIUWJVJMK-UHFFFAOYSA-N 308.381 3.068 0 40 DGAB Cc1ccsc1C(=O)Nc1ccc(N2CCCC2=O)cc1 14182678 LALXKVXFHCIIFN-UHFFFAOYSA-N 300.383 3.436 0 40 DGAB Cc1ccc(-c2cc(C(=O)NC3CC3)c3c(C)noc3n2)s1 14263050 GVQAUTWFDQFCCF-UHFFFAOYSA-N 313.382 3.460 0 40 DGAB CCCn1c(NC(=O)[C@@H]2Cc3ccccc3O2)nc2ccccc21 15586719 MWEHAZRVTAOWFB-KRWDZBQOSA-N 321.380 3.389 0 40 DGAB O=C(O)C[C@@H](SCc1ccc(Cl)cc1Cl)C(=O)O 16385023 IKEGZLIUDXZRQE-SECBINFHSA-N 309.170 3.155 0 40 DGAB CC1=NN(c2ccccc2)C(=O)[C@@H]1Cc1ccc(N(C)C)cc1 16607831 VHQNZWGSOGBHPZ-GOSISDBHSA-N 307.397 3.334 0 40 DGAB CCc1nc2n(n1)[C@@H](c1ccco1)C=C(c1ccccc1O)N2 17031703 CBTVPTHCWMESGO-CYBMUJFWSA-N 308.341 3.195 0 40 DGAB COc1ccc(NC(=O)CCc2ccccc2F)c(OC)c1 19164578 CLQZSADXANXVMS-UHFFFAOYSA-N 303.333 3.414 0 40 DGAB O=C1COc2ccccc2N1CCOc1ccc(Cl)cc1 19620872 OZEHRKPFKKAIGB-UHFFFAOYSA-N 303.745 3.144 0 40 DGAB Cc1nnc(SCc2nnc(-c3ccc(Cl)cc3)o2)o1 20034064 FULIYIRKVOMXHG-UHFFFAOYSA-N 308.750 3.374 0 40 DGAB CC(C)CNC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1 20359172 HXZYKONXBYAENP-JTQLQIEISA-N 304.312 3.158 0 40 DGAB CCOc1ccc(CCNC(=O)c2ccoc2C)cc1OCC 21556121 HNKRSLPQOUTGLN-UHFFFAOYSA-N 317.385 3.358 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccccc1OCC#N 22344848 SIUJNOCWFPLAOQ-OHASWFSBSA-N 323.396 3.191 0 40 DGAB Cn1cc(NC(=O)c2ccccc2COc2ccccc2)cn1 24585208 CCLNQFAFSZYLSE-UHFFFAOYSA-N 307.353 3.251 0 40 DGAB Cc1ccc(OCc2ccc(C(=O)Nc3cnn(C)c3)o2)cc1 25308996 AJSUPYBVMIJOPU-UHFFFAOYSA-N 311.341 3.153 0 40 DGAB Cc1nc2ccccc2n1CN1CCN(c2ccccc2F)CC1 25776817 GDNMBYUUNBPMKV-UHFFFAOYSA-N 324.403 3.264 0 40 DGAB CC(C)(C)c1csc(NS(=O)(=O)Cc2ccccc2)n1 28577254 HHBPSWFMAVNZSD-UHFFFAOYSA-N 310.444 3.383 0 40 DGAB CCNC(=O)COc1ccc(C(=O)c2ccc(Cl)cc2)cc1 28802324 JXTGYRAJKDLGJJ-UHFFFAOYSA-N 317.772 3.086 0 40 DGAB CCCNC(=O)Cc1csc(COc2ccc(C)cc2)n1 30879603 KKMOGFNMCILOBP-UHFFFAOYSA-N 304.415 3.099 0 40 DGAB COc1ccc([C@@H]2CCCN2C(=O)/C=C/c2cccnc2)cc1 30941052 YXVJEHMIEZVMDH-QKIXSCASSA-N 308.381 3.467 0 40 DGAB CN(C)C(=O)c1ccc(NC(=O)CCc2ccccc2F)cc1 30946234 DXWLJANZEWUTSP-UHFFFAOYSA-N 314.360 3.099 0 40 DGAB CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1C 32585491 AUOWHVCOYAAGTQ-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB C[C@@H](NC(=O)C[C@H]1OC(=O)c2ccccc21)c1ccccc1F 32983355 NRLOOPQFEVPZKM-BDJLRTHQSA-N 313.328 3.305 0 40 DGAB Cc1cc(C(=O)NCc2cc(-c3ccc(Cl)cc3)on2)no1 38753100 IAUATKCFUZIWQZ-UHFFFAOYSA-N 317.732 3.221 0 40 DGAB Cc1ccc(CC(=O)NCc2ccc(-n3ccnc3)cc2)cc1 38772393 BYPGDECHSRQAII-UHFFFAOYSA-N 305.381 3.040 0 40 DGAB CCOC(=O)c1csc2nc(-c3ccccc3OC)cn12 40440699 UUECBNLODJELTG-UHFFFAOYSA-N 302.355 3.248 0 40 DGAB CCc1ccc(NC(=O)NC[C@@H](O)c2ccccc2OC)cc1 40526017 NVARDPDZTMPLRT-MRXNPFEDSA-N 314.385 3.113 0 40 DGAB O=C(c1ccsc1)N1CCCN(Cc2ccccc2)CC1 41902242 RKGXUNKAYXUXPA-UHFFFAOYSA-N 300.427 3.096 0 40 DGAB O=C(CC[C@@H]1CCCO1)N1CCC[C@H]1c1nc2ccccc2[nH]1 46178505 YVFYQHOSIDQSNS-BBRMVZONSA-N 313.401 3.186 0 40 DGAB Cc1ncsc1C(=O)NCCCCOc1ccc(F)cc1 46573328 CZABNZPABCJNEG-UHFFFAOYSA-N 308.378 3.180 0 40 DGAB C[C@H](C1CC1)N(Cc1ccccc1)C(=O)Nc1nncs1 53733402 XNOVYKNFABXYPH-LLVKDONJSA-N 302.403 3.371 0 40 DGAB CC(=O)c1ccc(NC(=O)C2=NO[C@@H](c3ccccc3)C2)cc1 54272773 PJQQFVRRVFOHDF-QGZVFWFLSA-N 308.337 3.345 0 40 DGAB Cc1nc(C2(NC(=O)C[C@@H](C)c3ccccc3)CCCC2)no1 55552608 KLIPTRXNXPMMNO-CYBMUJFWSA-N 313.401 3.457 0 40 DGAB CC(C)CO[C@H](C)C(=O)Nc1ccc(N2CCCCC2)nc1 58196576 UDQYWCYJLAOFRE-CQSZACIVSA-N 305.422 3.072 0 40 DGAB Cc1ccc(C(=O)Nc2ccn(CCc3ccncc3)n2)cc1 58325503 KLRRIVLCIUXROL-UHFFFAOYSA-N 306.369 3.082 0 40 DGAB CCc1ccc(S(=O)(=O)Nc2ccc(C)cc2C(=O)O)cc1 58364572 AGLXGSQCNODDHW-UHFFFAOYSA-N 319.382 3.056 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)c1cccn1Cc1ccccc1 65521871 PDMDQEBBSKPJLV-UHFFFAOYSA-N 323.396 3.413 0 40 DGAB COc1ccc(C(C)=O)cc1C[S@@](=O)c1ccccc1OC 69326203 TUDFFSLITDHWFI-QFIPXVFZSA-N 318.394 3.214 0 40 DGAB CN(CCC1CCCCC1)C(=O)c1ccc(S(C)(=O)=O)cc1 69452003 WQYITNHIQZBYMZ-UHFFFAOYSA-N 323.458 3.133 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc(-c3nc[nH]n3)cc2)cc1 69705248 JCTVCWJWJNFGOM-UHFFFAOYSA-N 308.341 3.123 0 40 DGAB C[C@@H]1CCc2c(sc(=O)n2CN2CCc3sccc3C2)C1 69707957 COWGKFWUBOQAFP-LLVKDONJSA-N 320.483 3.112 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CC[C@@H]2CCCC[C@@H]2C1 71835125 KIEKIZTUAAZXQH-JKSUJKDBSA-N 324.424 3.040 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)C2(c3ccc(F)cc3)CC2)c1 71893548 CLAPPTVNMAZWBY-QFIPXVFZSA-N 317.385 3.233 0 40 DGAB Cn1c(CN2CCC[C@H]2c2noc(C3CC3)n2)nc2ccccc21 72300030 VBIWVAOEKYGZPD-HNNXBMFYSA-N 323.400 3.171 0 40 DGAB COc1ccc(-c2cccc([C@H]3CCCN(C(C)=O)C3)n2)cc1 72357553 UIUUOQUQHYWQBX-INIZCTEOSA-N 310.397 3.483 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2)c1ccccc1 78403786 KLYKFGMIGUTJDO-OLZOCXBDSA-N 316.426 3.083 0 40 DGAB C[C@@H]1CN(C(=O)c2cc3cc(Cl)ccc3o2)C[C@@H]1N(C)C 78894686 OZBWYDQQGBEAPK-MFKMUULPSA-N 306.793 3.108 0 40 DGAB CO[C@]1(C)C[C@H](NC(=O)N[C@H](C)c2csc(C)n2)C1(C)C 78952811 GJIRENQVZVDPCH-MURWCNHISA-N 311.451 3.015 0 40 DGAB Cc1nc(CC(=O)Nc2cnccc2N2CCCCC2)cs1 79041136 PRHSVFLHJFFBGH-UHFFFAOYSA-N 316.430 3.018 0 40 DGAB COC(=O)NCCC(=O)N1CCCC[C@H]1c1cccc(C)c1C 81323221 VQBIKYICPYLDAL-INIZCTEOSA-N 318.417 3.103 0 40 DGAB O=C(Nc1ccccc1)N1CCC[C@@H]1C[C@@H](O)c1ccco1 84553143 CRENNGCUHUJRJR-HUUCEWRRSA-N 300.358 3.400 0 40 DGAB COc1ccc(OCc2noc3c2CCCC3)c(C(C)=O)c1 89291849 FXRYZUKMMAOUFV-UHFFFAOYSA-N 301.342 3.344 0 40 DGAB C[C@H](NC(=O)N(C)Cc1ccc([S@](C)=O)cc1)C(C)(C)C 89598305 ZMZKWZXGQXAHBQ-LAJNKCICSA-N 310.463 3.000 0 40 DGAB O=C(O)C1CCN(Cc2ncc(C(F)(F)F)cc2Cl)CC1 91695169 HULLVRCVIPQZSK-UHFFFAOYSA-N 322.714 3.050 0 40 DGAB CN(C(=O)N[C@@H]1CCC[C@@H](C2CC2)C1)C1CCC(CO)CC1 95430524 LLENNUNRKHWPRK-JCUPBUFNSA-N 308.466 3.148 0 40 DGAB COC(=O)CC1(NCc2cc(F)c(F)c(F)c2)CCCCC1 95964921 UKBCCRCCUKMKAE-UHFFFAOYSA-N 315.335 3.460 0 40 DGAB Cc1noc(C)c1[C@@H](C)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95970397 XCPPWAJVYGIIFP-OLKPEBQYSA-N 314.341 3.131 0 40 DGAB O=C(Cc1ccccn1)N1CCC2(C=Cc3ccccc32)CC1 96161153 HHBHYSFKXBDCSR-UHFFFAOYSA-N 304.393 3.211 0 40 DGAB CCOCCCC(=O)N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 96414595 AUYQLTQCZPRENP-OAHLLOKOSA-N 321.392 3.064 0 40 DGAB CCO[C@H]1C[C@H](N(C)Cc2noc(C3CC3)n2)C12CCCC2 96419740 QNDFOCDUQMGECJ-KBPBESRZSA-N 305.422 3.117 0 40 DGAB O=C(CC[C@H]1CCCO1)N[C@H](c1cc(F)ccc1F)C1CC1 96432687 FRSSIJRCTSNOFU-DYVFJYSZSA-N 309.356 3.491 0 40 DGAB Cc1cnc(CNC(=O)N[C@H]2CCc3ccc(F)cc32)s1 96439987 XUXWUYVBBZCKLY-ZDUSSCGKSA-N 305.378 3.077 0 40 DGAB Cc1nc(Cl)cc(N[C@H](C)c2cccc(-n3cncn3)c2)n1 96446568 OHODUZQMXKWMKY-SNVBAGLBSA-N 314.780 3.192 0 40 DGAB c1ccc(-c2csc(CCN[C@@H]3CCCSC3)n2)nc1 97084614 RAGZXDIEWWBCJW-GFCCVEGCSA-N 305.472 3.233 0 40 DGAB CCOCc1ccc(CNc2nc3ccccc3c(=O)[nH]2)cc1 97995018 YBAZFEVAZKWPKT-UHFFFAOYSA-N 309.369 3.072 0 40 DGAB COc1cc(C)c(CN(C)CCc2ccncc2)cc1OC 98078716 OGMVAKLIDJVIOL-UHFFFAOYSA-N 300.402 3.082 0 40 DGAB CCNCc1cccc(NC(=O)[C@H]2CCOc3ccccc32)c1 107225494 LMUNVMFLICDCAS-KRWDZBQOSA-N 310.397 3.301 0 40 DGAB CCCc1nc(Cn2cnc3c(C)csc3c2=O)cs1 191125850 MPVQDEYQCAEJCI-UHFFFAOYSA-N 305.428 3.224 0 40 DGAB CC(=O)N[C@@H](CC(C)C)c1nc(COc2ccccc2F)no1 192710814 YJIJPBSZXYUQPW-ZDUSSCGKSA-N 321.352 3.011 0 40 DGAB Cc1cc2ncc(NC(=O)Nc3ccccc3Cl)cn2n1 206740065 UIROLLVRCCNSCU-UHFFFAOYSA-N 301.737 3.335 0 40 DGAB CCOC(=O)C1(c2ccc(NC(=O)Cc3ccccc3)cc2)CC1 222938218 XHNCEVRQGLKSCK-UHFFFAOYSA-N 323.392 3.463 0 40 DGAB O=C(CCc1ccc(F)cc1)NCCSCc1ccco1 224661091 JYCWXCVEKHNXSH-UHFFFAOYSA-N 307.390 3.401 0 40 DGAB Cc1cncc(CN(C[C@@H](O)c2ccc(F)cc2)C2CC2)c1 225500668 BYOKWTASOPUIMS-GOSISDBHSA-N 300.377 3.227 0 40 DGAB Cc1cc(C)nc(NC(=S)NCCCc2ccc(F)cc2)n1 225970077 RTETULXKCJTWQZ-UHFFFAOYSA-N 318.421 3.152 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2cccc([C@H](C)O)c2)c1 226274599 IMNYFCDFOIUZOV-NSHDSACASA-N 301.342 3.009 0 40 DGAB Cc1cccc(NC(=O)N[C@H](Cn2nccn2)c2ccccc2)c1 238922104 UCSXMQRGVIWYLW-QGZVFWFLSA-N 321.384 3.150 0 40 DGAB Cc1cc([C@H](C)NC(=O)N2CCC[C@H]2[C@@H]2CCCO2)c(C)o1 252484453 FWOSYSRPIKNZCO-RCBQFDQVSA-N 306.406 3.310 0 40 DGAB CN(C)C[C@@H](NC(=O)NCc1ccoc1)c1ccc(Cl)cc1 252494223 NOSNLCQRJPPGCO-OAHLLOKOSA-N 321.808 3.035 0 40 DGAB CC[C@@H](NC(=O)[C@@](C)(O)CCc1ccccc1)c1nccs1 252498843 RNIIPEIGQIQCFQ-PBHICJAKSA-N 318.442 3.094 0 40 DGAB CN1C(=O)CCC[C@H]2CN(Cc3cccc4cccnc34)CC[C@H]21 257268663 MMPPBARETYCKQJ-FUHWJXTLSA-N 323.440 3.068 0 40 DGAB CC(C)N1CCC[C@H]1c1cncc(-c2cccc(C(=O)O)c2)n1 257285577 PHVWJVBSQBZBFK-KRWDZBQOSA-N 311.385 3.387 0 40 DGAB COCCOc1cccc(C(=O)N2CC[C@@H]3CCCC[C@@H]32)c1 566263447 HHCZOGGPWXIJBO-YOEHRIQHSA-N 303.402 3.117 0 40 DGAB Cc1ccccc1C(=O)NCCn1nc(C)c(-c2ccco2)c1C 575615592 QZXINLXJPBTOPV-UHFFFAOYSA-N 323.396 3.498 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@H]1COc2ccccc21 575951145 ACUKOHUCWDYHPY-NSHDSACASA-N 317.772 3.255 0 40 DGAB Fc1cc(CN2C[C@@H](C3CC3)[C@@H]2C2CC2)ccc1-n1cncn1 582341234 XZPFMHJKCNCRNY-YJBOKZPZSA-N 312.392 3.027 0 40 DGAB Cn1cc(CCCNc2ccccc2OCC(F)(F)F)cn1 584908103 ADKYQPVZXIFZJQ-UHFFFAOYSA-N 313.323 3.406 0 40 DGAB C[C@H]1C[C@H](C(=O)N(C)Cc2nnc3ccccn23)CC(C)(C)C1 584908453 CTVLFSFMTLYVKL-KBPBESRZSA-N 314.433 3.150 0 40 DGAB O=C(Nc1csnc1-c1ccccc1)N1CCSCC1 585119485 IUQZRKFKBGAKPH-UHFFFAOYSA-N 305.428 3.391 0 40 DGAB Fc1cccc(F)c1CNc1ncnc2c1ncn2C1CC1 1888904243 FVLATTDVTSIQFV-UHFFFAOYSA-N 301.300 3.052 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2ccc(F)cc2)cc1C 130879 IKSUYZGBKBZIKH-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(Nc1ccccc1)N(Cc1ccco1)C[C@@H]1CCCO1 257603 AVKRCMQDDXVVRA-INIZCTEOSA-N 300.358 3.493 0 40 DGAB Cc1ccccc1CSc1nnc(-c2ccc(F)cc2)n1N 532396 MIBVOXRPPDNHQW-UHFFFAOYSA-N 314.389 3.399 0 40 DGAB O=Cc1cccc(OCCCN2CCN(c3ccccc3)CC2)c1 2021452 HOGGVOXUHXADJC-UHFFFAOYSA-N 324.424 3.090 0 40 DGAB CCOC(=O)CSC(=O)Nc1cc(Cl)nc(Cl)c1 2581884 CFTUIPLOIHWPNO-UHFFFAOYSA-N 309.174 3.217 0 40 DGAB O=C(COc1cccc(F)c1)OCC(=O)c1cccc(Cl)c1 3242838 AECJXVZMMILOAK-UHFFFAOYSA-N 322.719 3.284 0 40 DGAB O=C(O)Cn1c(COc2ccc(Cl)cc2)nc2ccccc21 3887015 FGGDTCLNASPOLX-UHFFFAOYSA-N 316.744 3.353 0 40 DGAB O=C(NC1CCCCC1)[C@@H]1CC(=O)N(c2cccc(Cl)c2)C1 4385138 KFRMUOYLOCNZEL-GFCCVEGCSA-N 320.820 3.142 0 40 DGAB N=C1SCC(=O)N1c1ncc(Cc2ccc(Cl)cc2)s1 5001303 IDVFVYPPEZITFX-UHFFFAOYSA-N 323.830 3.402 0 40 DGAB CCN(CC)c1nc2sc3c(c2c2ncnn12)CCCC3 5557451 GXSPPWQLNAXKII-UHFFFAOYSA-N 301.419 3.064 0 40 DGAB O=C(Nc1ccccc1Br)[C@H]1CC=CC[C@H]1C(=O)O 5679762 VAEQUGGDYIQASA-VHSXEESVSA-N 324.174 3.055 0 40 DGAB Cc1cc(S(=O)(=O)N2C[C@@H](C)C[C@@H](C)C2)ccc1Cl 5749981 SLJMSNNDRPYYNW-PHIMTYICSA-N 301.839 3.315 0 40 DGAB CSc1ccc(Cl)c(C(=O)OCC(=O)c2ccc[nH]2)c1 5933209 SPPOWWTUMXCLAU-UHFFFAOYSA-N 309.774 3.430 0 40 DGAB CCN(C(=O)COc1ccccc1NC(C)=O)c1ccccc1 6064265 JCUBABQSXZJKPY-UHFFFAOYSA-N 312.369 3.077 0 40 DGAB CN(Cc1ccccc1)C(=O)c1cc(-c2ccc(F)cc2)[nH]n1 6942547 UYXWHQZHINGOQX-UHFFFAOYSA-N 309.344 3.488 0 40 DGAB O=S(=O)(Nc1cc(F)ccc1F)c1ccc(F)cc1F 7405087 DLETYMQXMIHHJV-UHFFFAOYSA-N 305.252 3.044 0 40 DGAB C[C@H](OC(=O)c1ccc(CO)cc1)C(=O)c1c[nH]c2ccccc12 7429897 VOZAFRPAAAHOON-LBPRGKRZSA-N 323.348 3.088 0 40 DGAB c1ccc(CN2CC[C@@H](Nc3ncnc4sccc34)C2)cc1 7980972 NCGQZPGYGSTJQC-CQSZACIVSA-N 310.426 3.378 0 40 DGAB C[C@H](NC(=O)c1cccc(NC(N)=O)c1)c1cc2ccccc2o1 8239715 ZDQSABRWZFLQNT-NSHDSACASA-N 323.352 3.414 0 40 DGAB O=C(CSc1nc2cc(Cl)ccc2o1)NCc1ccco1 8334947 JUPAAOZOQWLDCZ-UHFFFAOYSA-N 322.773 3.483 0 40 DGAB Cc1cccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)n1 9322058 VZQFJVVCPJCZLG-UHFFFAOYSA-N 321.336 3.488 0 40 DGAB Cc1ccc2c(CC(=O)Nc3nc(C)cs3)cc(=O)oc2c1 9704954 SGZHNMRVICETFS-UHFFFAOYSA-N 314.366 3.048 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1CCO[C@@H](C)C1 11498245 QRSWLFDZPITJLC-JTQLQIEISA-N 320.389 3.119 0 40 DGAB Cc1ccccc1OCC(=O)N1CCc2[nH]c3ccccc3c2C1 11975908 SQTZQUUNYJESAY-UHFFFAOYSA-N 320.392 3.440 0 40 DGAB C[C@@H](NC(=O)c1ncoc1-c1ccc(F)cc1)c1ccccn1 12115101 YABANYPVTZIZCP-LLVKDONJSA-N 311.316 3.367 0 40 DGAB C[C@H](NC(=O)CC(=O)N[C@H](C)c1ccccc1)c1ccccc1 12504567 MIDRZCZSDLTAPX-GASCZTMLSA-N 310.397 3.131 0 40 DGAB O=C(NCCSCc1ccco1)NCc1ccc(F)cc1 12774474 QHRVGSANEFSGAO-UHFFFAOYSA-N 308.378 3.151 0 40 DGAB C[C@@H](c1cc2ccccc2o1)N(C)CC(=O)NCC(F)(F)F 12853302 CGGAPDKOYVQWKB-JTQLQIEISA-N 314.307 3.104 0 40 DGAB Cc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1C 12927932 DLDNPIRSBYBDIS-UHFFFAOYSA-N 302.399 3.124 0 40 DGAB CC(=O)c1cccc(NC(=O)COc2cc(F)c(F)cc2F)c1 14122288 UJFSTGABNCMCED-UHFFFAOYSA-N 323.270 3.324 0 40 DGAB Cc1ccc(NC(=O)c2cnc(C)cn2)c(Br)c1 15316157 PWHZBWIYBBNJEY-UHFFFAOYSA-N 306.163 3.108 0 40 DGAB CCNC(=O)Nc1cccc2c(NC(=O)NCC)cccc12 16681709 YVAHUSPFRVDGQT-UHFFFAOYSA-N 300.362 3.123 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)NCc1ccc(F)cc1 20039227 OYHMPOODWQYXPS-KRWDZBQOSA-N 317.360 3.308 0 40 DGAB CC(C)(C)CC(=O)N1CCN(Cc2ccccc2Cl)CC1 20467908 CKDVRCBNWLRAMR-UHFFFAOYSA-N 308.853 3.420 0 40 DGAB Cc1nccn1Cc1ccc(C(=O)N2CCc3ccccc32)cc1 30946981 NJDYKNWWWYPIHB-UHFFFAOYSA-N 317.392 3.443 0 40 DGAB Cc1nc2ccccc2nc1COC(=O)c1ccc2cn[nH]c2c1 32901744 UUNIGRLTERHYST-UHFFFAOYSA-N 318.336 3.172 0 40 DGAB CONC(=O)[C@H](Nc1ccc(C(F)(F)F)cc1Cl)C(C)C 40017414 WLEBQHPPBCUMOG-LLVKDONJSA-N 324.730 3.473 0 40 DGAB Cc1cccc(CNC(=O)C(=O)Nc2ccccc2C(C)C)c1 42646475 ZYSMVOIAOJFKKQ-UHFFFAOYSA-N 310.397 3.373 0 40 DGAB CCOc1ccccc1CNC(=O)COc1cc(C)cc(C)c1 44884650 MTTWMAWWFGNNEP-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB O=C(NC1CC1)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 46078375 AGNWESRVHKRODF-UHFFFAOYSA-N 320.392 3.172 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)c2ccc(OC)nc2)c1 48273073 PXOKTTQTJMJQIV-INIZCTEOSA-N 312.369 3.076 0 40 DGAB Cc1ccccc1OCCCC(=O)NC1CCN(C(C)C)CC1 48332714 XWHIHSIISBLXCT-UHFFFAOYSA-N 318.461 3.143 0 40 DGAB O=C(O[C@H](Cn1cncn1)c1ccc(Cl)cc1)c1ccoc1 54213990 OAUQAPBQUBSVTA-CQSZACIVSA-N 317.732 3.123 0 40 DGAB CC(=O)Nc1ccc(Cl)c(NC(=O)NCc2ccco2)c1 55339786 SGQYLSYILBXKKO-UHFFFAOYSA-N 307.737 3.213 0 40 DGAB Cc1ccccc1[C@H]1CCCN1C(=O)Cc1c(C)nn(C)c1C 55780626 DDSKXTDYVWSMSV-GOSISDBHSA-N 311.429 3.252 0 40 DGAB O=C(c1cc2ccc(Cl)cc2[nH]1)N1CCO[C@@H]2CCC[C@H]21 56196239 NTGFUSYCIJHLEA-HUUCEWRRSA-N 304.777 3.215 0 40 DGAB CC(C)[C@@H](OC[C@H]1CCCO1)C(=O)Nc1nc(C2CC2)cs1 58004211 YDDJIQIOABZHED-TZMCWYRMSA-N 324.446 3.179 0 40 DGAB Cc1cc2n(n1)C[C@@H](CNCc1ccc3[nH]c(C)c(C)c3c1)CN2 58292647 IENAEQVLWIFGSX-INIZCTEOSA-N 323.444 3.121 0 40 DGAB Cc1cc(CNC(=O)c2ccccc2C(=O)c2ccccc2)no1 62292428 RZSSORUNFJTCSX-UHFFFAOYSA-N 320.348 3.144 0 40 DGAB CC(C)(C)OC(=O)Nc1c(Br)cccc1C(=O)O 62826327 MNZYBISVBMCYRA-UHFFFAOYSA-N 316.151 3.494 0 40 DGAB NC(=O)[C@@H](NCc1ccc(-c2ccccc2F)o1)c1ccccc1 63519407 KYSRQHQWLJWGHR-SFHVURJKSA-N 324.355 3.402 0 40 DGAB O=C(Nc1ccccc1-c1nnnn1C1CC1)c1ccc(F)cc1 65490624 WAHYOGMOZDLDBB-UHFFFAOYSA-N 323.331 3.066 0 40 DGAB CC(C)CN(C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2)cc1 65987440 UBCJOWRYEBTVJH-AWEZNQCLSA-N 300.406 3.231 0 40 DGAB CCc1noc(CSc2nnc(Cc3cccc(F)c3)o2)n1 67753941 HZMGDFFKAFZSSW-UHFFFAOYSA-N 320.349 3.037 0 40 DGAB CCOc1ncccc1NC(=O)Cc1csc(C(C)(C)C)n1 69381805 JZLONHXUBCFOQI-UHFFFAOYSA-N 319.430 3.416 0 40 DGAB COc1cc(C(C)=O)ccc1O[C@@H](C)C(=O)N1CCCCCC1 69449604 SFCFGQTUNIHUHF-AWEZNQCLSA-N 319.401 3.068 0 40 DGAB CC(C)(C)c1cc(NC(=O)c2ccco2)n(-c2ccccn2)n1 69559961 YXBHSIQCDYWAOA-UHFFFAOYSA-N 310.357 3.410 0 40 DGAB O=C(NCc1ccncc1)NC1(c2ccc(F)cc2)CCCC1 69812068 OUJKTXCVMGYYIC-UHFFFAOYSA-N 313.376 3.489 0 40 DGAB O=C(Nc1cccc(-c2ccsc2)c1)N1CCC[C@@H](O)C1 69951838 LRNDYMGMDADZHW-OAHLLOKOSA-N 302.399 3.404 0 40 DGAB Cc1cccc(-c2ccc(C(=O)N(C)[C@H](C)C3CC3)c(=O)[nH]2)c1 71793184 CZNMEKLKUOYGLQ-CYBMUJFWSA-N 310.397 3.221 0 40 DGAB O=C(NCC[C@@H]1CCCO1)c1cnc(-c2ccsc2)s1 71900119 WIXYWGZONUFDDB-NSHDSACASA-N 308.428 3.171 0 40 DGAB Cc1cc(I)ncc1C(=O)c1ccccc1 72225981 LNENGPRSMXVWJD-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCc1csc([C@H]2CCCN(C(=O)COC3CCCC3)C2)n1 72282215 TUIBYCPXJVQQQD-ZDUSSCGKSA-N 322.474 3.371 0 40 DGAB O=C(NCC1(O)CCC1)Nc1cccc(N2CCCCCC2)c1 72294272 PWHAXHODZJXMDC-UHFFFAOYSA-N 317.433 3.104 0 40 DGAB O=C(CC1(O)CCCCC1)N[C@H]1C[C@@H]1c1cccc(F)c1F 74003407 DSNIJBNDKMTIEK-OCCSQVGLSA-N 309.356 3.022 0 40 DGAB C[C@H]1CN(C(=O)Nc2cccc(C(=O)c3ccccc3)c2)CCO1 78550555 MCTARZOYIBWEHX-AWEZNQCLSA-N 324.380 3.170 0 40 DGAB Cc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(C)C(C)C)cc1 78731816 LWMZPDHZMMQCJS-UHFFFAOYSA-N 318.446 3.173 0 40 DGAB CC(C)CCO[C@H](C)C(=O)NC[C@H]1C[C@@]12CCc1ccccc12 79070060 CEKWMAOGRCXLKS-MDYRTPRTSA-N 315.457 3.458 0 40 DGAB O=C(C[C@@H]1OCCc2ccsc21)OCC1CCSCC1 80359589 UZYWTBWSYKCYEJ-ZDUSSCGKSA-N 312.456 3.438 0 40 DGAB C[S@@](=O)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 80522309 GBEALOAOGXUJRJ-QKKBWIMNSA-N 317.435 3.252 0 40 DGAB C[C@@H](NC(=O)Cc1ccon1)c1ccc(OCC2CC2)c(F)c1 89904705 GRJXPXWUJVJNSH-LLVKDONJSA-N 318.348 3.022 0 40 DGAB C[C@H](Cc1ccccc1Br)NC(=O)Cc1ccc[nH]1 90064017 JVQPJVOVVUCINJ-LLVKDONJSA-N 321.218 3.067 0 40 DGAB OC[C@H]1CCCN1Cc1cccc(OCc2ccccc2F)c1 92471036 YGJGXDBQZJCNSU-QGZVFWFLSA-N 315.388 3.361 0 40 DGAB Cc1nn(C)c(C)c1CNc1cnn(-c2ccccc2Cl)c1 92569035 UHCNOJRBVOXHHE-UHFFFAOYSA-N 315.808 3.488 0 40 DGAB CC(C)c1cnc(CN2CCc3cc(C(=O)N(C)C)ccc32)o1 95396753 XOPRTMZTUSGMMK-UHFFFAOYSA-N 313.401 3.063 0 40 DGAB CCc1c(C(=O)Nc2ccc(O)c(C)c2)cnn1CC(C)C 95440013 JNFCFGOBSSFNTC-UHFFFAOYSA-N 301.390 3.368 0 40 DGAB Cc1noc(C)c1[C@H](C)C(=O)Nc1ccc(/C=C/C(=O)O)cc1 95970398 XCPPWAJVYGIIFP-ZKXNXJMVSA-N 314.341 3.131 0 40 DGAB O=C(CSC1CCCC1)NCCCn1ccc2cccnc21 96353255 JUZUJABAZVKWFE-UHFFFAOYSA-N 317.458 3.218 0 40 DGAB C[C@H](CC1CCC1)NCc1ccccc1CN1CCCC1=O 96476574 WLTKIMSPRBLDKB-OAHLLOKOSA-N 300.446 3.477 0 40 DGAB CCC(=O)c1cccc(NC(=O)NCCc2cscn2)c1 96484138 SGTXFRBUVLOKAB-UHFFFAOYSA-N 303.387 3.100 0 40 DGAB Cc1csc(COC(=O)c2ccccc2-c2nnc(C)o2)n1 97056087 RWJOZRNUXRMHLR-UHFFFAOYSA-N 315.354 3.167 0 40 DGAB Clc1ccc(Cc2noc([C@H]3CCn4cncc4C3)n2)cc1 97085368 ZZQGZVZGQBVEGA-LBPRGKRZSA-N 314.776 3.240 0 40 DGAB CCC(=O)N1CC[C@H](NCc2ccc(Oc3ccccc3)o2)C1 97236051 JXALMRCWDJYRSL-AWEZNQCLSA-N 314.385 3.172 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1cccc2ccccc12 100178259 VIUCACLIKCQYBA-UJWMZTGESA-N 315.372 3.397 0 40 DGAB O=C1OCC(O)=C1C(=S)Nc1cc(Cl)cc(Cl)c1 100335929 YFZIMMDLUMEABH-UHFFFAOYSA-N 304.154 3.102 0 40 DGAB CCOc1ccc(CNC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 113945788 XKCUIZGOLDMHFM-OAHLLOKOSA-N 313.397 3.477 0 40 DGAB Cc1cnc(C)c(NCc2cccc(Cn3ccnc3C)c2)n1 195563670 QPWQZNBRRUGBRU-UHFFFAOYSA-N 307.401 3.259 0 40 DGAB CCCNC(=S)Nc1ncc(Br)cc1Cl 223869561 ITHSKBYYZAJNLJ-UHFFFAOYSA-N 308.632 3.194 0 40 DGAB CCc1ccccc1N(C)S(=O)(=O)c1ccc(OC)cc1 224849304 YHFOUIHLGYXTDL-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB CCC[C@@H](C)NC(=S)Nc1cccc(N2CCCC2=O)c1 225384016 GVUJXSJQUHAOBV-GFCCVEGCSA-N 305.447 3.288 0 40 DGAB CC(C)CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 257302888 SEVOTYSNGWWQEO-UHFFFAOYSA-N 311.433 3.451 0 40 DGAB COc1cc(C)c(/C=C2/C(=O)N(C)C(=S)N2C)cc1C(C)C 409035765 KDBYLHACAZYPJC-ZROIWOOFSA-N 318.442 3.157 0 40 DGAB Nc1ccccc1N1CCN(c2ccc(Cl)cc2F)CC1 575435691 BRSJONNPBUTWJQ-UHFFFAOYSA-N 305.784 3.388 0 40 DGAB CC(C)C[C@@H](C(=O)NCCc1ccc(O)cc1)n1cccc1 575444539 XBGJYUMALUCJJY-KRWDZBQOSA-N 300.402 3.140 0 40 DGAB O=C(Cn1ccc2ccccc21)NCc1cncc(C2CC2)c1 575620941 WPMVKVCUEBZOEK-UHFFFAOYSA-N 305.381 3.230 0 40 DGAB COc1nccc2c(NCc3cn(C(C)(C)C)nn3)cccc12 585117134 RSSFQWAWAUKJDV-UHFFFAOYSA-N 311.389 3.202 0 40 DGAB Cc1nc(CNC(=O)C[C@H](C)Cc2cccc(F)c2)[nH]c1C 585126109 ORKMEJITFMYOCT-LLVKDONJSA-N 303.381 3.051 0 40 DGAB CC(C)c1ncncc1-c1nc(-c2ccc(CN(C)C)cc2)no1 585133586 MQOMKLPNQVPATK-UHFFFAOYSA-N 323.400 3.379 0 40 DGAB c1ccc2c(N3CCN(Cc4ccncc4)CC3)nsc2c1 1204078947 CEBBPZHLYONFOC-UHFFFAOYSA-N 310.426 3.014 0 40 DGAB O=C(N[C@@H](c1cccs1)C1CCOCC1)c1ccncc1F 1565523302 JWYFNPOMLMAGGD-OAHLLOKOSA-N 320.389 3.180 0 40 DGAB Cc1cc(C(=O)Nc2nc3c(s2)CCCC3)nc(C2CC2)n1 1888843911 XNFOLQXZNAADHP-UHFFFAOYSA-N 314.414 3.250 0 40 DGAB COc1ncc(Br)c(Cl)c1Br 2297733244 SWCVDWUQJQGZJG-UHFFFAOYSA-N 301.365 3.269 0 40 DGAB O=C(OCc1ccccc1)c1ccc(OC[C@H]2CCNC2)cc1 42773696 SUUGIYQSDRVLQW-INIZCTEOSA-N 311.381 3.032 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1cc(F)ccc1F 78896983 XIRBSCIULUCRRS-PRXAMGSTSA-N 322.399 3.262 0 40 DGAB CC(C)[C@@H](OC(=O)c1cccs1)C(=O)NCc1cccs1 1381123 YRMWNJJGZIIGOS-CYBMUJFWSA-N 323.439 3.307 0 40 DGAB O=C(CCCOc1ccccc1)Nc1ccc(-n2cccn2)nc1 12523554 KQONFPFZVVQMHB-UHFFFAOYSA-N 322.368 3.065 0 40 DGAB CC[C@H](c1ccc(O)cc1)c1cc2c(cc1OCCO)OCO2 1582757 CIPKBKDEDXOSEZ-CQSZACIVSA-N 316.353 3.034 0 40 DGAB Cc1ccc(CC(=O)OCC(=O)Nc2ccccc2C)cc1C 3460154 RPVFPZGYQLMHNA-UHFFFAOYSA-N 311.381 3.336 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@H](CC3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 4156199 QCKPIKBKCZBMEY-IOQCUFBNSA-N 321.298 3.407 0 40 DGAB Cc1nn(C)c(C)c1CNC(=O)CC12CC3CC(CC(C3)C1)C2 6184294 MWLONDHRTBBNJL-UHFFFAOYSA-N 315.461 3.260 0 40 DGAB CC(=O)Nc1ccc(NC(=O)Cc2ccccc2Cl)cc1 6336430 SEOQUSITLUDDAA-UHFFFAOYSA-N 302.761 3.480 0 40 DGAB O=C(CCCOc1ccccc1)N(Cc1cccnc1)C1CC1 58227187 PODBZLVMDPBBMI-UHFFFAOYSA-N 310.397 3.432 0 40 DGAB O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)c1cccs1 58289255 FKMXJRHFIMTLHZ-ZDUSSCGKSA-N 320.483 3.452 0 40 DGAB Cc1noc(C)c1CNCc1nn(-c2ccccc2)c2c1CCC2 44973855 ACKAXOVPJHZMGO-UHFFFAOYSA-N 322.412 3.256 0 40 DGAB C[C@H](c1cccs1)N(C)C(=O)NCc1cccnc1N(C)C 44969319 JNDYDWNDXGADTN-GFCCVEGCSA-N 318.446 3.112 0 40 DGAB C[C@H](NC(=O)c1cc(Br)ccc1O)c1ccncc1 12543195 LQHCCEYHBXAZAJ-VIFPVBQESA-N 321.174 3.041 0 40 DGAB C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)Nc1ncccc1O 58392673 DXYFWUHFSQTVRI-LBPRGKRZSA-N 314.385 3.491 0 40 DGAB O=C1N[C@@H](c2c(F)c(F)c(F)c(F)c2F)Nc2ccccc21 3242036 PIDMINWJJVVHDH-ZDUSSCGKSA-N 314.213 3.236 0 40 DGAB Cc1ccc(NC(=O)CSc2cc(C)nc(C)n2)c(C)c1 12016696 BSXNMKLVRHBYKU-UHFFFAOYSA-N 301.415 3.441 0 40 DGAB Cc1nc2c(c(SCC(=O)Nc3ccccc3F)n1)CCC2 12016615 QRKCXWZHVQMVBJ-UHFFFAOYSA-N 317.389 3.144 0 40 DGAB CCn1ncc(NC(=O)c2cc(-c3ccc(C)cc3)on2)c1C 2798060 IKMNWHVUXAJGKU-UHFFFAOYSA-N 310.357 3.427 0 40 DGAB Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)N1C[C@H](C)O[C@H](C)C1 46961505 NXVYJFZOMKUYFI-VNHYZAJKSA-N 320.433 3.420 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2-n2ccnc2)cc1 20492154 BBMZKGWMODZPHF-UHFFFAOYSA-N 305.381 3.040 0 40 DGAB CCc1cc2c(SCc3cc(O)n[nH]3)nc(C)nc2s1 28164987 ABXJLHYOFACKNX-UHFFFAOYSA-N 306.416 3.283 0 40 DGAB CN1CC(=O)[C@H](c2cc(Cl)ccc2Oc2ccccc2)C1=O 38820257 LAXTYFZLKJOGDP-INIZCTEOSA-N 315.756 3.257 0 40 DGAB in-vitro O=C(/C=C/c1ccccc1)NCCc1cnc(-c2ccccc2)[nH]1 13592778 FQCQLOGHDXHJFG-VAWYXSNFSA-N 317.392 3.449 0 40 DGAB CCN1C(=O)S/C(=C\c2cc3c(cc2Cl)OCO3)C1=O 4141094 BUEOAHBOOSXTKH-WCIBSUBMSA-N 311.746 3.125 0 40 DGAB Cc1ccc(NC(=O)CCCN2Cc3ccccc3C2=O)cc1 13689897 GARBPZXHYBGCLG-UHFFFAOYSA-N 308.381 3.370 0 40 DGAB CCCCNC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1 4679979 SRFBRNWESNSTHX-UHFFFAOYSA-N 308.853 3.468 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2cnn(C)c2)c(C)n1C1CC1 71796870 WWRWMCJTQMYNCR-KRWDZBQOSA-N 312.417 3.151 0 40 DGAB c1ccc(Cn2cc(Cn3ccnc3-c3ccncc3)cn2)cc1 71748975 NUABKELXECSSFI-UHFFFAOYSA-N 315.380 3.238 0 40 DGAB O=C(C[C@H]1C=CCC1)N1CCC[C@H]1c1cccc2c1OCCO2 66771667 PPIVSWXXMFNSBL-HOCLYGCPSA-N 313.397 3.478 0 40 DGAB O=C(Nc1ccc(F)cc1Cl)C1CCN(C(=O)C2CC2)CC1 15010011 FSPHMHKFJUGAIS-UHFFFAOYSA-N 324.783 3.066 0 40 DGAB COc1ccc(-c2nnc(COc3ccccc3)o2)cc1OC 5880361 ULSZMPPWUMDYNL-UHFFFAOYSA-N 312.325 3.333 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)n1C 6941185 OAGQMQSCJPGIHX-JENXGELISA-N 319.474 3.390 0 40 DGAB Cc1[nH]c2ccc(C(=O)N3CCCN(C(C)C)CC3)cc2c1C 68781826 YVPDKAMNLFEIFU-UHFFFAOYSA-N 313.445 3.341 0 40 DGAB O=C(c1cccc(CNc2nc3ccccc3[nH]2)c1)N1CCCC1 95447138 LNNFNUILLAUIHZ-UHFFFAOYSA-N 320.396 3.411 0 40 DGAB O=C(Nc1nc2ccccc2[nH]1)c1cncn1-c1ccccc1 8231969 DLHRPZAVIDALKH-UHFFFAOYSA-N 303.325 3.001 0 40 DGAB Cc1cc(C(=O)N[C@@H](CC(C)C)c2nc3ccccc3[nH]2)no1 16967461 BFFVCRUBBGVXJJ-AWEZNQCLSA-N 312.373 3.377 0 40 DGAB Cc1nnc2n1CCN([C@@H](C)c1ccc(C(F)(F)F)cc1)C2 69560220 NLLZVNYBJDRCOK-JTQLQIEISA-N 310.323 3.182 0 40 DGAB O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(Cc2ccccc2)C1 18180467 BSSFCJIJJCHFND-QGZVFWFLSA-N 313.376 3.222 0 40 DGAB O=C(c1nccc2ccccc12)N1CCCC[C@@H]1Cn1cccn1 69971476 XCXVJUITUJUARL-MRXNPFEDSA-N 320.396 3.126 0 40 DGAB COc1ccc(OC)c(CNC(=O)c2ccc(Cl)cc2)c1 25823103 VFECWCQBZGXIGI-UHFFFAOYSA-N 305.761 3.287 0 40 DGAB Cc1cc(F)cc(C(=O)N(CC(F)(F)F)[C@H]2CCCOC2)c1 87389983 IWPMZVXSBCUCLI-ZDUSSCGKSA-N 319.298 3.318 0 40 DGAB CO[C@H](C)c1nc(Cn2c([C@H](C)O)nc3ccccc32)cs1 97082432 INULWCYHPFOHGJ-WDEREUQCSA-N 317.414 3.302 0 40 DGAB CC1(C)OC[C@H]([C@H](c2nccs2)N(O)Cc2ccccc2)O1 3849357 BTXCBXLXVMKPGS-ZIAGYGMSSA-N 320.414 3.227 0 40 DGAB biogenic Cc1ccc(-c2noc(CCNC(=O)c3cccc(C)c3)n2)cc1 35681718 JZFWITJUJBJWKN-UHFFFAOYSA-N 321.380 3.326 0 40 DGAB Cc1cc2nc(Nc3c(C)nn(C)c3C)c3ccccc3n2n1 32803854 JSRNVCLMFXJSLN-UHFFFAOYSA-N 306.373 3.285 0 40 DGAB COc1c(Cl)cc(NC(=O)NC[C@@H]2CCOC2)cc1Cl 78394935 MTDXHUDCQUMKBN-QMMMGPOBSA-N 319.188 3.160 0 40 DGAB CSc1ccc(O[C@@H](C)C(=O)N(C)Cc2ccccn2)cc1 76959865 YDEKFPNVYWDRGB-ZDUSSCGKSA-N 316.426 3.229 0 40 DGAB O=C(NCCc1cccs1)c1cn[nH]c1-c1cccs1 71116001 WAQKSVJQPSXJOI-UHFFFAOYSA-N 303.412 3.172 0 40 DGAB O=C(CCc1ccccc1)NCc1ccc(-n2cccn2)cc1 32925607 JZPJOMLQZWZUBC-UHFFFAOYSA-N 305.381 3.121 0 40 DGAB CCN(CC)CCC[C@H](C)NC[C@H](C)C(=O)OC(C)(C)C 47219103 IBKWXUJBWVTAIY-GJZGRUSLSA-N 300.487 3.064 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2ccc(OC(C)C)cc2)cc1 44901386 RDYVEETTZHYCJI-UHFFFAOYSA-N 319.426 3.261 0 40 DGAB O=C(NCc1cnn2c1CCCC2)c1ccccc1C(F)(F)F 225609328 IXZRUQPNGPQCST-UHFFFAOYSA-N 323.318 3.168 0 40 DGAB Cc1ccc2[nH]c(C(=O)N(C[C@@H](C)C(=O)O)C3CC3)cc2c1C 195551864 AZUJBMHTWUVCSR-LLVKDONJSA-N 314.385 3.110 0 40 DGAB CCC1(NC(=S)Nc2cccc(C(=O)OC)c2)CCCC1 225862890 LNJYACCNKSBOCB-UHFFFAOYSA-N 306.431 3.482 0 40 DGAB COc1ccc(/C=C/C(=O)NCC2=CCCCC2)cc1OC 223379649 VTYLVXOOXWDUHD-PKNBQFBNSA-N 301.386 3.334 0 40 DGAB O=C(c1ccccc1F)N1CC[C@H](N2CCc3ccccc3C2)C1 238811214 AIYNANIMJATURU-KRWDZBQOSA-N 324.399 3.099 0 40 DGAB O=c1ccc2ccc(OCCCOCC(F)(F)F)cc2o1 96418170 QNRLPUWCMWTMKO-UHFFFAOYSA-N 302.248 3.141 0 40 DGAB CCOC[C@H]1CN(Cc2ccoc2)Cc2ncn(CC3CC3)c21 96060309 HDFLVQZNQQVBLC-MRXNPFEDSA-N 315.417 3.022 0 40 DGAB CN(Cc1ccc2c(c1)OCCO2)Cc1csc(C2CC2)n1 535781687 BHQQTLXVQAIFIB-UHFFFAOYSA-N 316.426 3.424 0 40 DGAB Cc1csc(C(C)(C)NCc2nc(-c3ccoc3)no2)n1 96443403 QTUVJOPETCCURU-UHFFFAOYSA-N 304.375 3.119 0 40 DGAB COC(C)(C)c1noc(CN2CCOc3ccc(Cl)cc32)n1 96467689 ZYVKTFKCFLZFCW-UHFFFAOYSA-N 323.780 3.004 0 40 DGAB CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C(=O)NCc2cccs2)C1 96435900 FFFZWSOCSMQOOI-NWDGAFQWSA-N 324.446 3.058 0 40 DGAB Cc1nc(COC(=O)[C@@H](c2cccc(Cl)c2)N(C)C)oc1C 584908452 FYUBRJWNYSMVOE-OAHLLOKOSA-N 322.792 3.291 0 40 DGAB CCOC(=O)c1cccnc1SCCc1c(C)noc1C 96484845 IDJAKJJIHSDJIK-UHFFFAOYSA-N 306.387 3.198 0 40 DGAB CC(C)(C)c1nc(CN2CCOC[C@@H]2c2ccc(F)cc2)no1 584213767 PLJSUGQRHLLVKQ-CQSZACIVSA-N 319.380 3.080 0 40 DGAB CCOc1cccc2c1OC(C)(C)[C@H]1C[C@H](C(=O)O)[C@H](C)O[C@H]21 257272087 NBABOPKAAYDAMU-GZCFXPHUSA-N 320.385 3.423 0 40 DGAB CNc1cc([C@@H]2CCCN2Cc2nc3ccccc3n2C)ccn1 257221406 DOYBVHGNSDEPMR-INIZCTEOSA-N 321.428 3.347 0 40 DGAB O=C(c1ccc(Cn2cnc3ccccc32)cc1)N1CCCC1 78416631 PXIITUFVDYGCBW-UHFFFAOYSA-N 305.381 3.321 0 40 DGAB Cc1ccc2cc(C(=O)N[C@@H](C)C[C@@H](O)c3ccco3)ccc2n1 95976795 MRPCLXUKFJWUIT-SUMWQHHRSA-N 324.380 3.378 0 40 DGAB CCCCC[C@H](O)CC(=O)O[C@H](CCCCC)CC(=O)O 216292373 ZDDYUVZDVHQVRW-UONOGXRCSA-N 302.411 3.285 0 40 DGAB biogenic,in-vitro Cc1cccc(NC(=O)N2CC(n3cnc4ccccc43)C2)c1 1775973836 HBONAMVQTACMRS-UHFFFAOYSA-N 306.369 3.434 0 40 DGAB O[C@](CNc1ncc(Cl)cn1)(c1ccoc1)c1cccs1 1775971101 WBOZZMKPRQTKQW-CQSZACIVSA-N 321.789 3.133 0 40 DGAB Cn1nc(C2CC2)cc1C(=O)NC1(c2ccccc2)CCCC1 12197376 IOUWSKBLUVEHPR-UHFFFAOYSA-N 309.413 3.497 0 40 DGAB O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)c1cccc(C(F)(F)F)c1 14184357 HXFVERVNGGHXKA-UHFFFAOYSA-N 321.258 3.127 0 40 DGAB O=C(CCn1c(-c2ccncc2)cc2cccnc21)N1CCCC1 19347142 SYXQPKICSZWUAL-UHFFFAOYSA-N 320.396 3.111 0 40 DGAB COc1ccc(Cl)cc1C(=O)NC[C@H](OC)c1ccco1 206860569 QOOUXNCTXZEFSM-AWEZNQCLSA-N 309.749 3.059 0 40 DGAB C[C@H]1C[C@H](NCc2ccc(F)c(C(F)(F)F)c2)CCN1C 163458578 CPFZBVXJBWDCCL-CMPLNLGQSA-N 304.331 3.417 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCc3ccccc3C2)cc1OC 5527249 OHCZDIQCLKLPFR-CSKARUKUSA-N 323.392 3.302 0 40 DGAB Cn1cc([C@H]2CCCCN2C(=O)Cc2ccccc2Cl)cn1 341763847 OWYPIROHYRHWHE-MRXNPFEDSA-N 317.820 3.370 0 40 DGAB O=C(Nc1nc(CN2CCCCC2)cs1)[C@@H]1CC=CCC1 22288786 ZAFHNLUOMKNIAE-CYBMUJFWSA-N 305.447 3.424 0 40 DGAB FC(F)(F)c1cccnc1N1CC(Cn2cc(Cl)cn2)C1 1889095467 IRIUJZRJTLWKES-UHFFFAOYSA-N 316.714 3.087 0 40 DGAB CC(=O)c1cccc(NC(=O)CCOc2ccc(F)cc2)c1 24545797 BEOWHUHGOBWBGE-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB Cc1ccc2nc(NS(=O)(=O)c3ccccc3)sc2c1 359277 BXEQWJFBUVKYTR-UHFFFAOYSA-N 304.396 3.406 0 40 DGAB Clc1ccc(CCNc2ncnc3[nH]cnc23)c(Cl)c1 9135302 MNIDLJJYVCXSJL-UHFFFAOYSA-N 308.172 3.314 0 40 DGAB CC(C)C(=O)N(c1ccc(C(C)C)cc1)[C@@H]1C=CS(=O)(=O)C1 4165571 LIDVXEHSPDMDLP-MRXNPFEDSA-N 321.442 3.110 0 40 DGAB CCC(=O)NC[C@H](c1cccs1)N1CCc2ccccc2C1 22907819 MXTKRVYBWZILOH-MRXNPFEDSA-N 314.454 3.374 0 40 DGAB O=C(/C=C/c1cccs1)NCC[C@@H](CCO)c1ccsc1 575607389 LFCKODRTRLRZMJ-OOPCZODUSA-N 321.467 3.495 0 40 DGAB CC(C)OCCCNC(=O)Nc1ccc(OC(F)F)cc1 40477696 RPWLGHAKXMELAL-UHFFFAOYSA-N 302.321 3.225 0 40 DGAB C[C@H](c1ccc(S(C)(=O)=O)cc1)N(C)Cc1cccc(F)c1 40494097 BEMZWAVXCDVAMB-CYBMUJFWSA-N 321.417 3.422 0 40 DGAB COc1ccc(CN(C)C(=O)c2cc(Cl)ccc2O)cc1 23603283 TYEYKWLPQKYGQS-UHFFFAOYSA-N 305.761 3.326 0 40 DGAB O=C(O)C[C@H](NC(=O)c1cccs1)c1ccc(Cl)cc1 116288 KTGRLSXXHCQYOI-NSHDSACASA-N 309.774 3.347 0 40 DGAB CC(C)(C)c1ccc(OCc2nnc(SCC(=O)O)o2)cc1 418615 OQOWVOCPLDIECB-UHFFFAOYSA-N 322.386 3.123 0 40 DGAB Cc1cc(C)cc(NC(=S)NC(=O)COc2ccccc2)c1 503204 MDCXBAIGGVVYBO-UHFFFAOYSA-N 314.410 3.195 0 40 DGAB COc1ccc([C@@H]2NCCc3c2[nH]c2ccc(OC)cc32)cc1 526546 RQWIEAZGOSQJEN-SFHVURJKSA-N 308.381 3.420 0 40 DGAB biogenic O=S(=O)(NCc1ccc(Cl)cc1)c1ccc(Cl)cc1 577389 BHNFJWHEVBTSNK-UHFFFAOYSA-N 316.209 3.472 0 40 DGAB COc1ccc(Cc2cc3c(cc2OC)OCO3)c(OC)c1 1591338 NRIVWYZPUFBCLG-UHFFFAOYSA-N 302.326 3.032 0 40 DGAB COc1ccc2c(c1N)CC[C@H]1[C@@H]2CC[C@@]2(C)[C@@H](O)CC[C@@H]12 1607796 YNHMOPDDKJEIJS-LONGPJICSA-N 301.430 3.494 0 40 DGAB CC(C)(C)c1cc(OS(=O)(=O)c2ccccc2)ccc1O 2061878 VBLBJAOISBBKQG-UHFFFAOYSA-N 306.383 3.457 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCC(C)CC1 2780242 CHVBAPDQHOOPRJ-LLVKDONJSA-N 303.328 3.030 0 40 DGAB CCC(CC)NC(=O)COC(=O)c1cc(Cl)ccc1Cl 3319329 UEYIKRILMIOEQY-UHFFFAOYSA-N 318.200 3.455 0 40 DGAB Cc1cccc(C)c1NC(=O)CSc1ncccc1C(=O)O 4538674 BDLDBRMVDSRGOP-UHFFFAOYSA-N 316.382 3.127 0 40 DGAB O=C(Nc1ccc2c(c1)OCCCO2)c1cnc2ccccc2n1 6653802 BZVRNDQTDLGREQ-UHFFFAOYSA-N 321.336 3.043 0 40 DGAB Cc1cccc(-n2nnc(C(=O)Nc3ccc(F)cc3)c2C)c1 6816054 MZBRXOKXXDVUMP-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1cc(C(=O)OCc2cc(=O)oc3c(C)c(C)ccc23)on1 6852164 DGNIJXJEWSJOBN-UHFFFAOYSA-N 313.309 3.063 0 40 DGAB COC(=O)c1ccc(CSc2nnc(NC3CC3)s2)cc1 7577303 DLVOLWLMVJLJEK-UHFFFAOYSA-N 321.427 3.191 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@H](OC)c2ccccc2)c1C 8330598 UIWSROPYGPINQB-MRXNPFEDSA-N 313.353 3.108 0 40 DGAB O=C(Nc1cccc2ncccc12)C(=O)NC1CCCCCC1 9047772 KIHRVCOGNMQRCW-UHFFFAOYSA-N 311.385 3.012 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc2c(c1)OC(F)(F)O2 9479126 ABDDUGTUQQUVGH-UHFFFAOYSA-N 324.283 3.184 0 40 DGAB CCN(C(=O)[C@@H](C)Sc1nc(C(C)C)n[nH]1)c1ccccc1 9503046 WHUVKNBAOJUARO-GFCCVEGCSA-N 318.446 3.462 0 40 DGAB CC(C)c1ccc(CCC(=O)NCCN2CCCCC2)cc1 10364274 WLYHWFYFJFWZOV-UHFFFAOYSA-N 302.462 3.345 0 40 DGAB c1ccc(CN2CCC(c3nc(-c4ccncc4)n[nH]3)CC2)cc1 12336871 BEPQPZMKZQFKPO-UHFFFAOYSA-N 319.412 3.246 0 40 DGAB COc1cccc(NC(=O)NC[C@H](CC(C)C)N2CCCC2)c1 12910915 XCXCKRWPSYZSCL-INIZCTEOSA-N 319.449 3.327 0 40 DGAB CCn1nnc2c(SCc3ccccc3Cl)ncnc21 13532303 JJAXBPFAVURIGF-UHFFFAOYSA-N 305.794 3.187 0 40 DGAB O=C(NCc1ccco1)Nc1c[nH]c2cc(Cl)ccc2c1=O 13565956 IVYPDGQFBBCNQB-UHFFFAOYSA-N 317.732 3.096 0 40 DGAB COc1ccc(OC)c([C@H]2CCCN2C(=O)c2ccncc2)c1 15827453 UMXTYWZQBCWDGR-MRXNPFEDSA-N 312.369 3.076 0 40 DGAB COc1ccccc1CN1CCN([C@@H]2CCC[C@@H](C)C2)CC1 19359417 IMJWQTVSBYSWEY-SJLPKXTDSA-N 302.462 3.392 0 40 DGAB Oc1cc(-c2ccccn2)nc2cc(-c3cccc(F)c3)nn12 19402418 ZZSFDMFOLHOJPG-UHFFFAOYSA-N 306.300 3.303 0 40 DGAB Cc1cc(OC[C@H](O)Cn2cnc3ccccc32)ccc1Cl 21659884 YWJPPRVPRQOMBW-CYBMUJFWSA-N 316.788 3.438 0 40 DGAB O=C(N[C@@H]1CCCc2ccccc21)c1cc(-c2ccco2)n[nH]1 23055830 HIQGFPPSIHIYTI-CQSZACIVSA-N 307.353 3.477 0 40 DGAB O=C(Nc1nc(C2CC2)cs1)[C@H]1COc2ccccc2C1 23135123 RADSFDBMECJNMV-GFCCVEGCSA-N 300.383 3.210 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@H]1C[C@H]2CC[C@@H]1C2 24084457 MNJSXVUTJGKXPU-HDMKZQKVSA-N 300.446 3.191 0 40 DGAB Cc1cc(S[C@@H](C(=O)NC2CC2)c2ccccc2)nc(C)n1 24567861 ZJRSEYOFSWOFCD-MRXNPFEDSA-N 313.426 3.205 0 40 DGAB COC(=O)c1ccc(C(=O)N(C)[C@@H](C)c2ccccc2)s1 25616973 TVKGSBLMKYBIDF-NSHDSACASA-N 303.383 3.368 0 40 DGAB CC(C)c1nnc(NC(=O)c2cc(Br)c[nH]2)s1 26573132 KSRRGZOLTBAPRG-UHFFFAOYSA-N 315.196 3.004 0 40 DGAB Cc1ccc(CC(=O)NCCCc2ccc(N(C)C)cc2)cc1 32818577 CKSWTTGICGTARU-UHFFFAOYSA-N 310.441 3.353 0 40 DGAB Cc1cc(C)n(CCNc2nc3c(F)cc(F)cc3s2)n1 34936083 JHJFMQNSMODGFD-UHFFFAOYSA-N 308.357 3.500 0 40 DGAB O[C@@H]1CCCN(c2ncnc3scc(-c4ccccc4)c23)C1 36264049 FAFMFJPPHBNUEZ-CYBMUJFWSA-N 311.410 3.319 0 40 DGAB Cc1nc(C(=O)NCc2cc(-c3cccs3)on2)cs1 38582163 RJPFZXLLCYDAPY-UHFFFAOYSA-N 305.384 3.098 0 40 DGAB O=C(NCCSCc1cccs1)NOCc1ccccc1 40071890 UXUBWQVEIPHZFN-UHFFFAOYSA-N 322.455 3.412 0 40 DGAB Cc1ccc(C)c(N2CCN(c3nccnc3Cl)CC2)c1 40478747 XXSHMIAWLSRPLP-UHFFFAOYSA-N 302.809 3.073 0 40 DGAB COCc1cccc(C(=O)Nc2[nH]nc(C(F)(F)F)c2C)c1 40556404 OXDSORFFCIUURX-UHFFFAOYSA-N 313.279 3.136 0 40 DGAB CC1CCC(NC(=O)Nc2cccc(C(=O)NC3CC3)c2)CC1 43875070 VYDAHKCPVVZJJS-UHFFFAOYSA-N 315.417 3.279 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@@H](C)N1CCCC[C@@H]1C 45959922 JXDFYUGHXZFLOQ-LSDHHAIUSA-N 319.449 3.470 0 40 DGAB COc1ccc(Nc2ccccc2C(=O)Nc2ccn(C)n2)cc1 47060483 CXFXKNRRHQQIKW-UHFFFAOYSA-N 322.368 3.425 0 40 DGAB C[C@H]1CCCC[C@@H]1OCCNC(=O)c1cccc(N(C)C)c1 47188718 MQOBVOAIKOHULV-YOEHRIQHSA-N 304.434 3.078 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)C[C@@H]2C=CCC2)c1 48304275 PFEVNDLHHSDGCG-LSDHHAIUSA-N 314.429 3.187 0 40 DGAB Cc1noc([C@@H]2CCCN(c3nc4ccccc4s3)C2)n1 53576561 CHPLQTOGGDFYER-LLVKDONJSA-N 300.387 3.372 0 40 DGAB C[C@@H](C(=O)NCCc1cccc(Cl)c1Cl)n1ccnc1 53965138 YBNWOGPKARRDOI-JTQLQIEISA-N 312.200 3.110 0 40 DGAB Cc1ccccc1C[C@@H](C)NC(=O)c1cc(=O)c2ccccc2[nH]1 56084342 WKODHARYJDOCAZ-CQSZACIVSA-N 320.392 3.198 0 40 DGAB COc1ccccc1[C@H](C)NCC(=O)Nc1ccc(F)cc1F 58146877 BNDCUGRODJVRRN-NSHDSACASA-N 320.339 3.263 0 40 DGAB Cc1nn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC[C@@H]1C 59843307 FJERJMRAFZCMAX-NSHDSACASA-N 318.808 3.244 0 40 DGAB CCOc1nnc(CSc2nc3ccc(OC)cc3[nH]2)s1 60532719 CXBBGVRXLHTHBM-UHFFFAOYSA-N 322.415 3.114 0 40 DGAB O=C(O)C1(Cc2ccc(F)cc2Br)CCOCC1 61674702 VBKOQBBJCULTSE-UHFFFAOYSA-N 317.154 3.012 0 40 DGAB in-vitro CN1CCC(CN(C)Cc2ccc(Br)cc2)CC1 63121425 VEZNRIBKPKMBTL-UHFFFAOYSA-N 311.267 3.223 0 40 DGAB COc1ccccc1COC(=O)c1cccn1Cc1ccncc1 65565319 JTALTEDPMDCEIZ-UHFFFAOYSA-N 322.364 3.297 0 40 DGAB C[C@@H]1CN(C(=O)NC(C2CC2)C2CC2)C[C@@H](c2ccccc2)O1 67591098 XYRKAOROPKJVJK-DYVFJYSZSA-N 314.429 3.347 0 40 DGAB Cc1ncc(CN(C)Cc2noc(-c3cccs3)n2)s1 69488106 UAQGQFKDJXPPRF-UHFFFAOYSA-N 306.416 3.195 0 40 DGAB COC(=O)[C@@H](NC(=O)c1ccc(F)cc1Cl)c1ccccc1 69508136 SPDVIUBVDVWHKG-AWEZNQCLSA-N 321.735 3.123 0 40 DGAB CC(C)c1n[nH]c(C(=O)Nc2ccccc2O)c1Br 69559808 UNMAWAVNTUXCSK-UHFFFAOYSA-N 324.178 3.254 0 40 DGAB C/C(=C\c1ccccc1)CN[C@@H]1CCCN(c2cccnn2)C1 69841535 RBQYVVDXSSUCHQ-IYICPGQYSA-N 308.429 3.139 0 40 DGAB O=C(O)CC/C(=C/c1csnn1)c1nc2ccccc2o1 71800059 ABEXJOPUTKYVBU-CLFYSBASSA-N 301.327 3.085 0 40 DGAB C[C@H](Cc1cccs1)NC(=O)c1ccc2c(c1)OCCCO2 71804303 NSQGJGQUQOVABQ-GFCCVEGCSA-N 317.410 3.270 0 40 DGAB COc1c(Cl)cc(C(C)(C)C)cc1C(=O)N1CCOCC1 72206590 KMGPIGKVWLNKIQ-UHFFFAOYSA-N 311.809 3.119 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C)s2)cc1 72333995 KEAHKDIRRHNREM-ZDUSSCGKSA-N 317.410 3.399 0 40 DGAB Cn1nc(-c2cccs2)cc1C(=O)NC[C@H]1C[C@@H]2C=C[C@H]1C2 72403374 MCZAQUZNQVOFJP-FRRDWIJNSA-N 313.426 3.091 0 40 DGAB Cc1nn(-c2ccc(NC(=O)C3CCC3)cn2)c(C)c1Cl 72404367 ADADLWIHULFWSV-UHFFFAOYSA-N 304.781 3.276 0 40 DGAB Cc1ccc(C(=O)N[C@H]2CCCC[C@H]2c2ccccc2)c(=O)[nH]1 75123039 QGBCXGOXICYALC-RDJZCZTQSA-N 310.397 3.140 0 40 DGAB Cc1oc(-c2ccco2)nc1CS[C@H]1CCCCNC1=O 75584304 LWTYJATWJCHAEC-ZDUSSCGKSA-N 306.387 3.145 0 40 DGAB C[C@@](O)(CNC(=O)CCc1cccc(Cl)c1)c1ccsc1 77636131 QBSOPDQFKXQPOB-MRXNPFEDSA-N 323.845 3.358 0 40 DGAB Cc1ccc2cccc(C(=O)Nc3ccc(F)c(C(N)=O)c3)c2n1 78080547 HYLNNJBMTKVKQW-UHFFFAOYSA-N 323.327 3.034 0 40 DGAB COc1ccc(COc2ccc(N(C)C(N)=O)cc2)c(Cl)c1 79054757 RFKQNCLATNYYMW-UHFFFAOYSA-N 320.776 3.443 0 40 DGAB CCC[C@H](C)c1cc(NS(=O)(=O)c2ccc(C)cc2)n[nH]1 79106573 AMFCTCMOAASIRZ-LBPRGKRZSA-N 307.419 3.423 0 40 DGAB Cn1ccc2c(NC(=O)Cc3ccc4c(c3)OCC4)cccc21 79481208 BHICGOWIABITPC-UHFFFAOYSA-N 306.365 3.294 0 40 DGAB O=C(c1ccco1)N1CCC(CSc2ccccn2)CC1 85557525 OSFWJOJECKTPCD-UHFFFAOYSA-N 302.399 3.319 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc2C1)c1ccc(Cl)s1 85559867 FFOIMBCHDXMJDB-INIZCTEOSA-N 321.829 3.051 0 40 DGAB O=C(c1cccs1)N1CCCN(C[C@H]2CC=CCC2)CC1 93385722 QTELFGLGIGUOAW-HNNXBMFYSA-N 304.459 3.252 0 40 DGAB COc1ccc(CN(C)Cc2nccs2)c(Cl)c1OC 93582830 DYIYFTQZSCQKER-UHFFFAOYSA-N 312.822 3.446 0 40 DGAB Cc1cccn2c(CN[C@@H](C)C[C@@H](O)c3cccs3)cnc12 95448917 ZNFYZMLMVXJKMT-DZGCQCFKSA-N 315.442 3.306 0 40 DGAB Cc1ccoc1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 95449207 IDHKWPRRUUIZOS-LSDHHAIUSA-N 320.339 3.041 0 40 DGAB C[C@@H](c1ccccc1F)N1CCC(N(C)c2cccnn2)CC1 95948902 OLCVQVOTJKQMCV-AWEZNQCLSA-N 314.408 3.278 0 40 DGAB C[C@H]1CCC[C@@H](C)N(Cc2cc(=O)n3cc(Cl)ccc3n2)C1 95961372 QOFVXUYZARLGQV-QWHCGFSZSA-N 319.836 3.358 0 40 DGAB Cc1cc(CNc2cc(-c3ccoc3C)nn2CCO)c(C)o1 95981663 PWRBAINOSTWWCP-UHFFFAOYSA-N 315.373 3.266 0 40 DGAB FC(F)(F)COCCn1nc(C(F)(F)F)c2cnccc21 96007484 BADSKNRGRMZJEM-UHFFFAOYSA-N 313.201 3.029 0 40 DGAB CO[C@H](CNC(=O)c1cc(C2CC2)on1)c1ccc(C)s1 96104744 QLURITBEUKGLTM-CYBMUJFWSA-N 306.387 3.039 0 40 DGAB O=C(Nc1cccc2[nH]ccc12)c1cc(-c2cccnc2)n[nH]1 96118356 YPKSVPKTPBHZOJ-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB CCOC[C@@H]1COCCC12CCN(Cc1ccccc1)CC2 96209263 RSUWJLSLVOVJAW-GOSISDBHSA-N 303.446 3.342 0 40 DGAB COc1cccc(N[C@@H]2COC3(CCN(CC(C)C)CC3)C2)c1 96221493 LWCMYJCCADCBCH-KRWDZBQOSA-N 318.461 3.387 0 40 DGAB CC[C@@H](NC(=O)N[C@@H](C)Cn1ccnc1)c1cc(F)ccc1F 96419871 SPCMITQCHLXXAM-XHDPSFHLSA-N 322.359 3.000 0 40 DGAB CSCC[C@@H](C)NC(=O)c1ccc([S@@](=O)C(C)C)cc1 96436848 NSFWUABZUHTTQA-MPBGBICISA-N 313.488 3.074 0 40 DGAB Cc1cccc(N2C(=O)C[C@@H](Cc3ccc(Cl)cc3)C2=O)n1 103442110 SATBNKNTZBQKLM-CYBMUJFWSA-N 314.772 3.166 0 40 DGAB Cn1cc(C(=O)N(CCC(F)(F)F)Cc2ccccc2)cn1 191936482 JMOIDKZXCKAPOL-UHFFFAOYSA-N 311.307 3.015 0 40 DGAB BrC1(Br)[C@H]2[C@H]3C[C@@H]4[C@@H]5C[C@@H]([C@H]24)[C@@H]1[C@H]35 195529081 OLRUHJPVOOXZIZ-YCSJDFQJSA-N 304.025 3.250 0 40 DGAB COc1ncccc1N(C)C(=O)c1sc(CC2CC2)nc1C 195579136 YDJQDZNBTXCRSF-UHFFFAOYSA-N 317.414 3.084 0 40 DGAB CCOP(=O)(OCC)[C@H](C(=O)OC)c1cccc(F)c1 199524692 REEMZMCGBSYVKU-LBPRGKRZSA-N 304.254 3.306 0 40 DGAB O=C(Nc1cnc(-n2cccn2)nc1)c1ccc2ccccc2c1 224243453 WFEOHOMSJFAHMR-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB CCCN(C)C(=O)c1c(-c2ccc(F)cc2)noc1[C@H](C)O 225434582 CQCHSBRSRPDPQE-JTQLQIEISA-N 306.337 3.016 0 40 DGAB biogenic,in-vitro COc1ccc([C@@H](C)NC(=S)Nc2cccc(C)n2)cc1 225467109 JBKAQUMTIDHVBC-GFCCVEGCSA-N 301.415 3.446 0 40 DGAB COc1ccc(CCNc2ncc(C)s2)c(OC)c1OC 225511707 CCXMDCAZIKGJNZ-UHFFFAOYSA-N 308.403 3.132 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H]2C[C@H]3CC[C@H]2C3)cc1C(C)C 250564250 AGLGFCJUGYYDJM-XEZPLFJOSA-N 323.458 3.286 0 40 DGAB CCN1CC[C@H](N(C)Cc2cc3ccccc3nc2O)C[C@H]1C 253534268 ROIRRISWIXKVFP-PBHICJAKSA-N 313.445 3.245 0 40 DGAB COCC[C@@H]1CCOC12CCN(C(=O)c1sccc1C)CC2 253598250 DJVKEOVKGKONDD-CQSZACIVSA-N 323.458 3.104 0 40 DGAB CC(=O)N1CCC[C@@H](Cc2ccnc(-c3nc(C)cs3)c2)C1 257239139 HOCXNHXYQYXBCI-HNNXBMFYSA-N 315.442 3.315 0 40 DGAB CC(C)c1cc(C(=O)N2CCC[C@@H](c3nccs3)C2)on1 257287294 PPINLLXOMFWORY-LLVKDONJSA-N 305.403 3.274 0 40 DGAB CCC(=O)N1CCC[C@@H]1c1ncc(Cc2ccccc2F)o1 257336447 YOLQMOUQLYGGNF-OAHLLOKOSA-N 302.349 3.478 0 40 DGAB CC[C@@](CNC(=O)c1ccc(C)s1)(C(=O)O)c1ccccc1 262896472 CLSRSTCOVZYKBK-KRWDZBQOSA-N 317.410 3.219 0 40 DGAB Cc1ccc(-c2cc3ccccn3c2C(=O)C(=O)NC2CC2)cc1 408679362 WFBIMXAQLQIMLD-UHFFFAOYSA-N 318.376 3.376 0 40 DGAB Cc1cccc(CN2C(=O)N/C(=C/c3ccc(F)cc3)C2=O)c1 409223868 GEQDSXLKXXRWLF-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB O=C(CCc1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1 515616415 DJDZHPBESXDHRK-AWEZNQCLSA-N 315.335 3.189 0 40 DGAB Cn1c(SCCC(F)=C(F)F)nnc1-c1cccnc1 521395052 ZESNAMOTGZGUPO-UHFFFAOYSA-N 300.309 3.437 0 40 DGAB CSCC[C@H](C(=O)Nc1nc2c(s1)CCC2)n1cccc1 524733211 FUJHVRVZQDTCJY-GFCCVEGCSA-N 321.471 3.366 0 40 DGAB Cc1nnccc1NC(=O)N1CCc2cccc(F)c2[C@H]1C 547868300 GILHRTKRLWWREO-LLVKDONJSA-N 300.337 3.075 0 40 DGAB Cc1nc2ccccc2n1[C@@H]1CCN(C(=O)/C=C/c2ccco2)C1 575616378 JCKFHNIAMIKSED-XVJNWHFHSA-N 321.380 3.425 0 40 DGAB O=C(N[C@@H]1CCC12CCOCC2)c1cccc(C(F)(F)F)c1 585407694 HDEIXCYGTMTGQF-CYBMUJFWSA-N 313.319 3.394 0 40 DGAB O=C(NCc1cccs1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565520116 GKNBIGQITIZING-STQMWFEESA-N 316.430 3.022 0 40 DGAB O=C(Cc1ccc(Cl)cc1)Nc1nnc(C(F)(F)F)s1 74037 YEELERVFWAIODM-UHFFFAOYSA-N 321.711 3.392 0 40 DGAB NC(=S)Nc1nc(-c2ccc(Br)cc2)cs1 531916 JHSKBNUIAMFUTL-UHFFFAOYSA-N 314.233 3.228 0 40 DGAB FC(F)(F)c1cnc(-n2cnc(-n3cccc3)n2)c(Cl)c1 1405142 ZLPDMTQMVRQREB-UHFFFAOYSA-N 313.670 3.125 0 40 DGAB Cc1ccc(C(=O)[C@H]2CN(C)CC[C@]2(O)c2ccc(C)cc2)cc1 1727260 SWFNNRQTSSTAGB-CTNGQTDRSA-N 323.436 3.326 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1C(=O)O[C@@H]1CCCCC1=O 2657158 YESHXEVPYOHPNJ-MRXNPFEDSA-N 312.369 3.158 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cc1 3074265 GNEMYNCIKUSUIM-UHFFFAOYSA-N 308.428 3.131 0 40 DGAB CCc1ccccc1NCC(=O)Nc1ccccc1C(=O)OC 3322119 PFJIDPCLYPRILH-UHFFFAOYSA-N 312.369 3.086 0 40 DGAB O=C(COc1ncnc2ccccc12)Nc1ccc2c(c1)CCC2 3361610 MPRYDHGUBSOOOU-UHFFFAOYSA-N 319.364 3.136 0 40 DGAB COc1ccc(/C=C/c2ccc(=O)n(Cc3ccccc3)n2)cc1 4041649 DWUNKPPXSDKTGQ-JXMROGBWSA-N 318.376 3.471 0 40 DGAB COCCN(Cc1cc2c(C)cc(C)cc2nc1Cl)C(C)=O 4880817 RXDFIPDEOUPQQD-UHFFFAOYSA-N 320.820 3.500 0 40 DGAB CCCC(=O)Oc1cccc([C@@H]2NC(=O)c3ccccc3O2)c1 4997901 PMWKMCCPPQTNOZ-GOSISDBHSA-N 311.337 3.213 0 40 DGAB CCOC(=O)c1ccc(NC(=S)Nc2nccs2)cc1 5499831 BFDKIWQHBGTUNZ-UHFFFAOYSA-N 307.400 3.129 0 40 DGAB COP(=O)(OC)[C@H](Nc1nonc1C)c1ccccc1F 5537566 SDBHUJTTWBZAQV-LBPRGKRZSA-N 315.241 3.114 0 40 DGAB COc1ccc(/C=C\C(=O)N2CCCCC2)cc1Br 6090762 YYJAFYFLUULLQE-VURMDHGXSA-N 324.218 3.483 0 40 DGAB COc1cc(C)c(NC(=O)c2cccc(N(C)C)c2)cc1OC 6248060 BJSZDMRVIJABOF-UHFFFAOYSA-N 314.385 3.331 0 40 DGAB O=C(COC(=O)CCc1ccccc1)Nc1ccc(F)cc1F 6375677 IAXMDTYLKUCOAK-UHFFFAOYSA-N 319.307 3.079 0 40 DGAB CCCCC(=O)Nc1cccc(NC(=S)NC(=O)CC)c1 6386476 KFJSIVLHMWKOGF-UHFFFAOYSA-N 307.419 3.038 0 40 DGAB Cc1ccc(NC(=O)/C=C/c2cnc3ccccc3n2)c(O)c1 6600887 DOXSVSSJUNPZIC-VQHVLOKHSA-N 305.337 3.296 0 40 DGAB C[C@H](OC(=O)C(c1ccccc1)c1ccccc1)C(=O)NC1CC1 7481797 OWFOPDWWNBEVAF-AWEZNQCLSA-N 323.392 3.029 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)c1cccc(-n2cnnn2)c1 8131589 DHMPXHOCTPJXTR-CYBMUJFWSA-N 321.384 3.428 0 40 DGAB CCOc1ccc(C2=N/C(=C\c3csc(C)n3)C(=O)O2)cc1 8179997 WUTBNOPZNODLBS-ZSOIEALJSA-N 314.366 3.195 0 40 DGAB Cc1ccsc1CN(C)CC(=O)N[C@H](C)c1ccccc1 8309870 MNPIIBBVCSKNLW-CQSZACIVSA-N 302.443 3.366 0 40 DGAB CCCN1C(=O)c2ccccc2[C@H](C(=O)O)[C@H]1c1ccccc1 9280555 HQGZKJJMEITQCG-DLBZAZTESA-N 309.365 3.462 0 40 DGAB CCc1ccccc1NC(=O)CSc1cc(C)nc(C)n1 12016816 QTIILGRATIBKGN-UHFFFAOYSA-N 301.415 3.387 0 40 DGAB O=C(c1cccc(F)c1)N1CCC(c2n[nH]c3ncccc23)CC1 12143439 RBSZTOMNCMSWOT-UHFFFAOYSA-N 324.359 3.117 0 40 DGAB Cc1sc2nc(C(C)C)n(C3CCNCC3)c(=O)c2c1C 12145440 FEOVWZKSVYIHGI-UHFFFAOYSA-N 305.447 3.123 0 40 DGAB CC[C@@H](CNC(=O)CNC(=O)c1ccc(C)cc1)c1ccccc1 15541843 KQVIABYPIMMBNU-INIZCTEOSA-N 324.424 3.035 0 40 DGAB O=C(Cn1ccc(C(F)(F)F)n1)Nc1ccc(Cl)cc1F 15591642 BMFJTOJZQDBUQI-UHFFFAOYSA-N 321.661 3.333 0 40 DGAB CCc1cc(C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)sc1C 15597248 LMMCHVVWSTZGOD-UHFFFAOYSA-N 301.371 3.041 0 40 DGAB CCSc1nc(=O)n(-c2cccc(C(C)=O)c2)c2c1CCC2 15840533 ATXFXNZGYRZRKF-UHFFFAOYSA-N 314.410 3.036 0 40 DGAB Cc1cc(O)n2nc(NCc3c(Cl)cccc3Cl)nc2n1 16956678 BEKYPRYAXAAVIA-UHFFFAOYSA-N 324.171 3.057 0 40 DGAB CC[C@H](Oc1ccccc1)C(=O)Nc1cc(N)ccc1OC 19736207 SJMRJWAUNHWQAM-HNNXBMFYSA-N 300.358 3.074 0 40 DGAB CCc1ccc(NC(=O)c2cnc(-c3ccccc3)[nH]c2=O)cc1 19937214 GOCNJUHMIOBQOL-UHFFFAOYSA-N 319.364 3.252 0 40 DGAB CC[C@@H](Oc1ccccc1Cl)C(=O)NCCCOC(C)C 20106848 IPVGAQGVXYRLQV-CQSZACIVSA-N 313.825 3.429 0 40 DGAB O=C(CNc1ccc(F)c(F)c1F)NC1CCCCCC1 22907252 SNMJKKBKPXOWLD-UHFFFAOYSA-N 300.324 3.355 0 40 DGAB CCc1c(C(=O)N2CCC[C@H](C)C2)cnn1-c1ccc(F)cc1 24487248 QJVTULBOBULCPX-ZDUSSCGKSA-N 315.392 3.446 0 40 DGAB C[C@@H](NC(=O)NCCc1cccc(Cl)c1)c1ccccn1 26185708 HZRMXADXHTUKGD-GFCCVEGCSA-N 303.793 3.338 0 40 DGAB CC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2cccc3ccccc23)C1 27337792 CJOCLGLFQVDCOZ-DZGCQCFKSA-N 310.397 3.107 0 40 DGAB CCc1nnsc1C(=O)NCc1cccc(C(F)(F)F)c1 27765395 DEYXRLFJEKMFKR-UHFFFAOYSA-N 315.320 3.049 0 40 DGAB Cc1ccccc1Cn1c([C@@H]2CC(=O)N(C)C2)nc2ccccc21 27789125 GFNWFRZOXOAREK-MRXNPFEDSA-N 319.408 3.339 0 40 DGAB O=C(Nc1nnc(-c2ccncc2)s1)[C@H]1C[C@@H]1c1ccccc1 28226114 VTDDSQJCGCBMMU-KGLIPLIRSA-N 322.393 3.342 0 40 DGAB CCNC(=O)[C@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832145 VLZREVRCEJWCTL-NSHDSACASA-N 315.244 3.342 0 40 DGAB Cc1ccc(C)c(NC(=O)N2CCN(c3nccs3)CC2)c1 43122782 BEEGGYRCODFVQC-UHFFFAOYSA-N 316.430 3.114 0 40 DGAB Cc1c(C(=O)N(C)Cc2ccccc2C(F)(F)F)cnn1C 43506491 AZWLRLUOLLVCKF-UHFFFAOYSA-N 311.307 3.020 0 40 DGAB C[C@@H](NC(=S)N[C@@H]1CCCc2c1cnn2C)c1ccccc1 44137713 QLIWWAJXXVHSNZ-IUODEOHRSA-N 314.458 3.023 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)[C@H](C)Nc1cccc(Cl)c1C 44871573 MDNQPJDMYNJYLX-NSHDSACASA-N 320.824 3.438 0 40 DGAB O=C(Nc1cccc(Br)n1)[C@@H]1C[C@@H]1c1ccco1 49424137 SJVSLUOCDZVAQO-DTWKUNHWSA-N 307.147 3.179 0 40 DGAB COc1cc([C@@H]2CC(O)=Nc3c2cnn3C)ccc1OC(F)F 49548304 XZIUFPGSDVCWSS-VIFPVBQESA-N 323.299 3.154 0 40 DGAB COc1cc([C@H]2CC(O)=Nc3c2cnn3C)ccc1OC(C)C 49549329 RRXSQHAVDBDBNA-GFCCVEGCSA-N 315.373 3.340 0 40 DGAB OC1=N[C@H](c2cc(Br)cs2)N2CCCC[C@@H]12 65531461 HMQQGYVELSTUEQ-WPRPVWTQSA-N 301.209 3.334 0 40 DGAB O=C(Nc1ccc2oc(=O)ccc2c1)N1CCC[C@H]1c1ccc[nH]1 68631273 GMZUCPDLGWROGG-HNNXBMFYSA-N 323.352 3.490 0 40 DGAB CSc1ccccc1NC(=O)N[C@H]1c2ccccc2C[C@H]1O 69562515 KDCMHXMNXLTCQK-ZBFHGGJFSA-N 314.410 3.188 0 40 DGAB CCCCNC(=O)c1ccc(-c2noc(C(F)(F)F)n2)cc1 69738622 GGHKASBFUZXSBF-UHFFFAOYSA-N 313.279 3.285 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2ccc3cc[nH]c3c2)n1 71870185 ABNORAQRDYGKON-KRWDZBQOSA-N 322.412 3.286 0 40 DGAB Cc1cccc(OC[C@@H](C)NC(=O)N[C@H](C)c2nccs2)c1 72268153 KUXVSRZASZVICO-CHWSQXEVSA-N 319.430 3.279 0 40 DGAB CCOC(=O)CC1(N(C)C(=O)c2scnc2C)CCCCC1 72295394 ABASHKKNAQFSFI-UHFFFAOYSA-N 324.446 3.180 0 40 DGAB CC(C)c1nc([C@H]2CCCN2Cc2nnc(C3CCC3)o2)no1 75610499 HHCDZGZQBLOGQE-GFCCVEGCSA-N 317.393 3.181 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccc(N2CCCCCC2)nc1 75693836 SSTQNEMTVIVTCK-OAHLLOKOSA-N 301.434 3.477 0 40 DGAB COC(=O)c1sc(NC(=O)[C@@H](C)c2c(C)noc2C)cc1C 78048358 XHHMPFJQTAFIRU-QMMMGPOBSA-N 322.386 3.190 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc(C)c(C)cc2C)[C@@H](C)C1 78897497 SSAPYPBSSREOKG-WMZOPIPTSA-N 302.462 3.348 0 40 DGAB CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(C)cc2)n[nH]1 79106566 AMFCTCMOAASIRZ-GFCCVEGCSA-N 307.419 3.423 0 40 DGAB CC(C)(C(=O)O)[C@H](O)c1cccc(OCc2ccccc2)c1 82164732 KXIZDHAFHFEPOU-MRXNPFEDSA-N 300.354 3.410 0 40 DGAB in-vitro Cc1noc(C)c1CONC(=O)c1cccc(C(F)(F)F)c1 84025350 LBCVGWJSLBLPJH-UHFFFAOYSA-N 314.263 3.172 0 40 DGAB Cc1cc(C[C@@H](C)NC(=O)Cc2cccc3ccccc23)n[nH]1 84111447 GSRUIWWRVXSHEY-CYBMUJFWSA-N 307.397 3.161 0 40 DGAB O=C(CCn1cncn1)N1CCCCC[C@H]1/C=C/c1ccccc1 84839422 PUPTWKOGISJTSW-ZGKFYVQTSA-N 324.428 3.153 0 40 DGAB CCc1cc(CNC(=O)N(C2CC2)[C@H](C)c2ccco2)on1 86403470 YJVYSQCPMDGIPT-LLVKDONJSA-N 303.362 3.265 0 40 DGAB CC(C)c1nc(I)c2c(Cl)nccn12 89195476 SRERVSYFYQIUQT-UHFFFAOYSA-N 321.549 3.111 0 40 DGAB in-vitro O=C(c1ncoc1[C@H]1CCCO1)N(Cc1ccccc1)C1CC1 89832488 UDAVFPSSGUYRIM-OAHLLOKOSA-N 312.369 3.331 0 40 DGAB C[C@@H]1CC[C@@H](C)N1C(=O)c1cnn2c(-c3ccccc3)ccnc12 89922749 PZEVFQVKZCHFFG-ZIAGYGMSSA-N 320.396 3.409 0 40 DGAB Cn1cc(C(=O)Nc2cccc3[nH]cnc23)c(-c2cccs2)n1 92353895 COIHPJANRSNLQX-UHFFFAOYSA-N 323.381 3.277 0 40 DGAB Cc1nc(C[C@@H]2CCCN(Cc3c(F)cccc3F)C2)no1 92814311 MBXSAIMYKFDNAR-LBPRGKRZSA-N 307.344 3.111 0 40 DGAB O=C(Cn1c2c(sc1=O)CCCCC2)NC1CCCCCC1 95396588 RVONUKKIPBXSTE-UHFFFAOYSA-N 322.474 3.018 0 40 DGAB c1cc(NCc2ccc(-n3ccnc3)cc2)cc(-c2nc[nH]n2)c1 95431151 MQWDFECDCAIZCE-UHFFFAOYSA-N 316.368 3.270 0 40 DGAB Cc1nccn1-c1ncccc1NC(=O)[C@H]1C[C@@H]1c1ccccc1 95954887 ZPMAOYROHQKOOD-CVEARBPZSA-N 318.380 3.318 0 40 DGAB CCc1nn(C)cc1CN1CCC[C@H](n2cnc3ccccc32)C1 95986662 AEXPMSPHKBIKAL-INIZCTEOSA-N 323.444 3.169 0 40 DGAB COc1ccc([C@@H]2CC(=O)Oc3ccc4nsnc4c32)cc1 96231424 FCKNPQWWMMTGTC-NSHDSACASA-N 312.350 3.141 0 40 DGAB Cc1ccc(N[C@@H](C)CCc2ccco2)cc1NS(C)(=O)=O 96494897 VCOHPVPNLAZBIT-ZDUSSCGKSA-N 322.430 3.393 0 40 DGAB Cc1csc([C@H](C)NCc2nnc(-c3cccs3)o2)n1 97112111 JIQNLZBCHBZMSZ-VIFPVBQESA-N 306.416 3.414 0 40 DGAB Cc1nc(C)c([C@H](C)NC(=O)N[C@H]2CCO[C@H](C3CC3)C2)s1 97142550 ZLNQTDIVGCKTET-BPNCWPANSA-N 323.462 3.078 0 40 DGAB Cc1[nH]c2ccccc2c1CCN1C(=O)[C@H]2CCCC[C@H]2C1=O 100122388 XKCUGIDTRZDJEQ-IYBDPMFKSA-N 310.397 3.194 0 40 DGAB O=C1/C(=C\N2CCCC2)c2ccccc2C(=O)N1c1ccccc1 100436712 MZGBZZUDYIFIHT-JXAWBTAJSA-N 318.376 3.310 0 40 DGAB Oc1c2c(nc3nnc(S)n13)-c1ccccc1CC21CCCC1 104183580 OWMNBJZXJUXSCC-UHFFFAOYSA-N 324.409 3.154 0 40 DGAB C[C@H]1CN(C)CC[C@H]1NC(=O)C[C@H](C)CCc1ccccc1 106578289 NNAFXOAKLKUCHA-SOLBZPMBSA-N 302.462 3.102 0 40 DGAB C[C@@H]1C[C@@H](c2cccnc2)N(C(=O)CCC(=O)OC(C)(C)C)C1 192355510 VAVXDNXOFZNVCT-HIFRSBDPSA-N 318.417 3.113 0 40 DGAB COc1ccccc1O[C@@H](Cc1cccc(Cl)c1)C(=O)O 225059196 MUIAWUZHANWCJD-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB COC(=O)c1ccccc1NC(=O)Cc1ccc(Cl)cc1F 225478868 RJJFWJTVZRDQIT-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CC[C@@H](NS(=O)(=O)c1c(C)noc1C)c1ccc(C)c(C)c1 225709807 SUUKSNKMQGXVPE-OAHLLOKOSA-N 322.430 3.338 0 40 DGAB CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1C[C@H]1c1cnn(C)c1 248321187 UGMFOGONHADQEZ-VBNZEHGJSA-N 314.385 3.227 0 40 DGAB O=C(NCCCc1cnoc1)c1cccc(Oc2ccccn2)c1 253406178 UHPFVKDITQWXHW-UHFFFAOYSA-N 323.352 3.225 0 40 DGAB CCN(CC)C(=O)C[C@H]1CC2(CCNCC2)c2ccccc21 306126503 DXYXWGQRMXXEKY-HNNXBMFYSA-N 300.446 3.054 0 40 DGAB CO[C@H](CNc1ccccc1OCC(F)(F)F)[C@H]1CCOC1 583651166 ILDGQPCAOLDJCK-SMDDNHRTSA-N 319.323 3.091 0 40 DGAB CCOCC[C@@H]1CCOC12CCN(Cc1cccc(C)n1)CC2 585104986 NCCPOFZRABVFBD-QGZVFWFLSA-N 318.461 3.188 0 40 DGAB Cc1cc(C(=O)N2CC(n3c(C)nc4ccccc43)C2)c(C)o1 1775974822 RWLFZTKXSZDVLW-UHFFFAOYSA-N 309.369 3.252 0 40 DGAB Cc1cc(N)n(-c2ncnc3scc(-c4ccccc4)c23)n1 87361 YUECWURVGYNHGF-UHFFFAOYSA-N 307.382 3.435 0 40 DGAB CC1(C)c2ccccc2N2CC(=O)N[C@]21/C=C/c1ccccc1F 538655 IELUHNRZECLHGE-YVNCXZRQSA-N 322.383 3.463 0 40 DGAB COc1ccc(COC[C@H](O)CN[C@@H](C)CCCC(C)C)cc1 2655944 BAPKHUKMWKHLGY-FUHWJXTLSA-N 323.477 3.377 0 40 DGAB CCOCc1nnc(NC(=O)C[C@@H](C)c2ccccc2)s1 4510368 ZLOXAKAVXGTMBI-LLVKDONJSA-N 305.403 3.207 0 40 DGAB Oc1ncnc2nc(-c3ccccc3)c(-c3ccccc3)nc12 5156321 UMUYUDSQRKTBKA-UHFFFAOYSA-N 300.321 3.459 0 40 DGAB Cc1ccc2cccc(OCC(=O)NCc3ccc(F)cc3)c2n1 5198701 XZMFZLWWEAWCRB-UHFFFAOYSA-N 324.355 3.378 0 40 DGAB CCn1cc(NC(=O)N2CCCC[C@@H]2CCO)c2ccccc21 5265927 SUZLSTBSAKWFIT-CQSZACIVSA-N 315.417 3.430 0 40 DGAB CCOC(=O)c1cccc(NC(=O)Cc2ccccc2OC)c1 5592867 YSTUGDUREMTFIK-UHFFFAOYSA-N 313.353 3.053 0 40 DGAB CC(C)[C@@](CCN1CCCC1(C)C)(C(N)=O)c1ccccc1 5963289 LIKKWSOVYMHVCH-LJQANCHMSA-N 302.462 3.330 0 40 DGAB COc1ccccc1C(=O)COC(=O)Cc1c[nH]c2ccccc12 6383967 WDKYOBIVNTVKMX-UHFFFAOYSA-N 323.348 3.145 0 40 DGAB O=[N+]([O-])c1ccccc1/C=N/Nc1ccc(C(F)(F)F)cn1 6866744 XHIAWEJFJSHAIH-CNHKJKLMSA-N 310.235 3.455 0 40 DGAB CN(Cc1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1 7217481 JGPPQXDBCWQNFC-UHFFFAOYSA-N 313.781 3.300 0 40 DGAB CCc1ccc(NC(=S)NCCCN2CCCCC2)cc1 7369659 QREWTDWMGYXCDU-UHFFFAOYSA-N 305.491 3.411 0 40 DGAB O=C(CSc1nc(C2CC2)n(-c2ccccc2)n1)c1ccc[nH]1 9255872 XJROFSCTLBNADP-UHFFFAOYSA-N 324.409 3.448 0 40 DGAB O=c1oc2c(O)cccc2cc1-c1nc(-c2ccc(F)cc2)no1 9431150 QRTMCYZZXUTIOV-UHFFFAOYSA-N 324.267 3.355 0 40 DGAB CCNc1nn(-c2ccc(OC)cc2)c2c1C(=O)CC(C)(C)C2 10156833 OJUMGHRPENQLQT-UHFFFAOYSA-N 313.401 3.468 0 40 DGAB O=C(OCCOC(=O)c1ccc2ccccc2n1)c1ccccc1 10213245 LJLHEGDIDVPYKD-UHFFFAOYSA-N 321.332 3.249 0 40 DGAB CCc1ccc(NC(=O)c2c(O)c3ccccc3[nH]c2=O)cc1 12414622 BIGLAVPDLFGGKL-UHFFFAOYSA-N 308.337 3.048 0 40 DGAB O=C(Nn1cnc2ccccc21)C1(c2ccc(Cl)cc2)CC1 12540841 YRFXEXPMQJLQLZ-UHFFFAOYSA-N 311.772 3.492 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)CSc1cccc[n+]1[O-] 12604147 CJNYKFHESKKCEE-ILXRZTDVSA-N 323.458 3.416 0 40 DGAB CCOc1cc(NC(=O)c2cccc(F)c2)c(OCC)cc1N 12833673 JEDAHKZMFNKISW-UHFFFAOYSA-N 318.348 3.458 0 40 DGAB COc1cccc([C@@H]2C[C@@H](c3ccccc3)n3ncnc3N2)c1 13132242 PXDBNEQWOSGLRQ-IRXDYDNUSA-N 306.369 3.433 0 40 DGAB aggregator Cc1ccc(OCC(=O)Nc2cc(C(=O)O)ccc2C)cc1C 13169782 AQCBYXUASANVOD-UHFFFAOYSA-N 313.353 3.328 0 40 DGAB Fc1ccc(CN2CCC(n3cnc4cccnc43)CC2)cc1 13266789 WKVZNRNHWXGDJQ-UHFFFAOYSA-N 310.376 3.408 0 40 DGAB CCc1cccc2cc(CNCc3ccc(OC)cc3)c(=O)[nH]c12 13566698 MARCSMPBYOCLHI-UHFFFAOYSA-N 322.408 3.389 0 40 DGAB Cc1ccc(N2CN(CCc3ccccc3)CNC2=S)cc1 13636097 MGHZFAKRAMXRBC-UHFFFAOYSA-N 311.454 3.149 0 40 DGAB COc1ccc(OC(=O)c2cnc3c(cnn3C(C)C)c2)cc1 14711102 WAYZVGGUGJVBDP-UHFFFAOYSA-N 311.341 3.240 0 40 DGAB O[C@@H](COCc1ccc(Cl)cc1)Cn1cnc2ccccc21 15346758 BTURLNYBSLUEJB-OAHLLOKOSA-N 316.788 3.267 0 40 DGAB Cc1ccc(OCc2nnc3sc(-c4cccnc4)nn23)cc1 19796865 CCNPSPXWWILOQU-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB O=C(Nc1ccc(Oc2ccccc2)cc1)[C@H]1CSCN1 19807280 UVIFTBUISCHSKH-OAHLLOKOSA-N 300.383 3.080 0 40 DGAB Cc1n[nH]c2c1[C@@H](c1ccc(C(C)C)cc1)C1=C(COC1=O)N2 20086348 MWESTJSMEINREM-OAHLLOKOSA-N 309.369 3.210 0 40 DGAB Cc1[nH]c2ccccc2c1[C@H](c1ccncc1)N1CCN(C)CC1 20192855 BLYAYCLKDQAOOO-FQEVSTJZSA-N 320.440 3.208 0 40 DGAB Cc1ccccc1OCC(=O)NCc1ccc(OC(C)C)cc1 20488296 OGRBZYJZIKQQMW-UHFFFAOYSA-N 313.397 3.477 0 40 DGAB CC(C)CC(=O)Nc1ccc2nc(SCC(=O)O)sc2c1 20895351 FWSQRFXGHGONER-UHFFFAOYSA-N 324.427 3.458 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)NCCCN1CCCCC1 22695588 NDJDPENIHOEFRV-UHFFFAOYSA-N 313.445 3.093 0 40 DGAB CC(C)CC[C@](O)(CCN1CCOCC1)c1ccc(F)cc1 27346908 JDCVGZLDECJNRB-SFHVURJKSA-N 309.425 3.172 0 40 DGAB Cc1ccc(OCC(=O)N2CCC[C@H]2c2cc(C)on2)c(C)c1 29238310 BQVPUXRFVCZAPR-INIZCTEOSA-N 314.385 3.342 0 40 DGAB COC(=O)[C@@H]1Cc2c([nH]c3ccccc23)[C@H](c2ccc(C)cc2)N1 34798745 BEEVAEJHPKFYMA-ROUUACIJSA-N 320.392 3.253 0 40 DGAB biogenic C[C@@H]1CN(C(=O)Cc2csc(-c3ccsc3)n2)[C@H](C)CO1 36398604 JWCHNGIDZHMLEW-GHMZBOCLSA-N 322.455 3.050 0 40 DGAB CC(C)Oc1ccc(CNS(=O)(=O)c2ccc(F)cc2)cc1 38755386 GYTVGUXCVIRMKZ-UHFFFAOYSA-N 323.389 3.091 0 40 DGAB COc1ccc(CN[C@H](C)c2ccc3c(c2)OCO3)c(OC)c1 42202998 GJGWFWJXJYXODJ-GFCCVEGCSA-N 315.369 3.283 0 40 DGAB O=C(C1CCCC1)N1CCCN(Cc2ccc(F)cc2)CC1 42655263 MKHUENOCORPGBT-UHFFFAOYSA-N 304.409 3.050 0 40 DGAB COCCN(Cc1noc(C(C)(C)C)n1)Cc1cccs1 44974674 UKGYTBKNKNVWNT-UHFFFAOYSA-N 309.435 3.077 0 40 DGAB COc1cccc(CC(=O)Nc2ccccc2-n2ccnc2)c1 45859992 FNJCDGZJCYNEBC-UHFFFAOYSA-N 307.353 3.062 0 40 DGAB C[C@@H](c1ccc(Cl)cc1)N(C)CC(=O)NCc1ccco1 46587321 UNLZQUCRBHNASD-LBPRGKRZSA-N 306.793 3.242 0 40 DGAB COc1ccc(OC(F)F)c(NC(=O)NC2CCCC2)c1 47922495 VGIWARLRTRKSIN-UHFFFAOYSA-N 300.305 3.361 0 40 DGAB CC(C)NC(=O)C1(c2cccc(C(F)(F)F)c2)CCOCC1 52916169 BUQIDFGYYZEZQF-UHFFFAOYSA-N 315.335 3.278 0 40 DGAB COc1ccc(C[C@H]2CCCN2C(=O)CC[C@@H]2CCCO2)cc1 55613964 UBFPJABHFLLGIA-AEFFLSMTSA-N 317.429 3.188 0 40 DGAB COc1ccc(C)cc1NC(=O)N1CCCN(C(C)(C)C)CC1 58140853 OYSXKHJPASGVNX-UHFFFAOYSA-N 319.449 3.342 0 40 DGAB O=C(NCc1cn2ccsc2n1)c1ccc(F)cc1Cl 58610698 XVKIVTFWBWHDGW-UHFFFAOYSA-N 309.753 3.118 0 40 DGAB Cc1ccoc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 64521817 RYOYINWHGRKOFG-CQSZACIVSA-N 318.442 3.292 0 40 DGAB CSC[C@H](C)C(=O)N1CCn2cccc2[C@@H]1c1ccccc1 66758306 JVZBXTDMXCCHDA-YOEHRIQHSA-N 314.454 3.419 0 40 DGAB O=C(NCCSc1nc2ccccc2o1)OCC(F)(F)F 71804175 OMZCPURSQPVVNI-UHFFFAOYSA-N 320.292 3.208 0 40 DGAB O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]1C1CCCCC1 71819905 ZCYHQFPEZYJXRD-QGZVFWFLSA-N 324.428 3.452 0 40 DGAB c1ccc(CN2CCOC[C@H]2c2nc(-c3cccnc3)c[nH]2)cc1 72322034 SLJSYVKEXZNARB-SFHVURJKSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro CCN(C(=O)COC(=O)c1ccc(C)s1)c1ccccc1 72333987 PFTKVNHUBQPJLT-UHFFFAOYSA-N 303.383 3.266 0 40 DGAB CC(=O)N1CCC[C@H](c2cncc(Oc3ccccc3C)n2)C1 72361753 RVKOQTPMSKUJKD-HNNXBMFYSA-N 311.385 3.303 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)c1ccc[nH]1 73785608 YLWCHDIINGIKDL-MRXNPFEDSA-N 320.396 3.067 0 40 DGAB O=C(N[C@H]1CCc2ccccc21)c1ccc(-c2ccco2)[nH]c1=O 75124854 OELPHFFRPNXMCT-HNNXBMFYSA-N 320.348 3.052 0 40 DGAB CC[C@H]1CCCCN1C(=O)Nc1ccc(C(=O)N(C)C)c(C)c1 77726812 MYZOCJSVTVVDAB-HNNXBMFYSA-N 317.433 3.493 0 40 DGAB CCCO[C@H]1CCCN(C(=O)COCc2ccccc2)CC1 78671257 DUSWOQGLBMWLGX-KRWDZBQOSA-N 305.418 3.011 0 40 DGAB O=C(NCc1csc2ccccc12)[C@H]1CCc2cn[nH]c2C1 79588353 DHJPXBZAXJFWER-NSHDSACASA-N 311.410 3.046 0 40 DGAB O=C(Nc1ccc(-c2cnc3n2CCC3)cc1)c1ccccn1 85471595 ZYRWJVARDCCMOB-UHFFFAOYSA-N 304.353 3.144 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)N[C@@H]2CCCc3occc32)C1 89870059 WMUVOEYLTGTTGR-GDBMZVCRSA-N 319.449 3.077 0 40 DGAB CCn1c2ccccc2c2cc(/C=C/C(=O)OCCO)ccc21 95348816 AJDOWBZIWPJVRW-CSKARUKUSA-N 309.365 3.363 0 40 DGAB Cc1n[nH]c([C@H](NC(=O)[C@@H](C)OC2CCCCCC2)C(C)C)n1 95415382 FIOOETZSNRSDGN-IUODEOHRSA-N 322.453 3.054 0 40 DGAB O=c1c(C(F)(F)F)cccn1Cc1ccn(C2CCCC2)n1 95418408 MOMNSRWLMPPBNE-UHFFFAOYSA-N 311.307 3.227 0 40 DGAB COc1cccc(N[C@@H]2CC(=O)N(c3cc(C)ccc3C)C2=O)c1 95915165 PHVSBZJKHJGDBR-MRXNPFEDSA-N 324.380 3.056 0 40 DGAB COc1ccc(OCc2nc(-c3cnn(C)c3)cs2)cc1 96421304 UOUAKHLHQJIFHI-UHFFFAOYSA-N 301.371 3.131 0 40 DGAB Cc1cc(CC(=O)N(C[C@H]2CCCO2)C2CCC(C)CC2)no1 96425780 VZIIKTVERSHIHZ-QWFMPGPPSA-N 320.433 3.112 0 40 DGAB CCOc1cc(NC(=O)NC[C@](C)(O)c2ccco2)ccc1C 96434573 OUTROUVCDLKGNT-KRWDZBQOSA-N 318.373 3.016 0 40 DGAB Cc1cc(NC(=O)N2CC(Cc3ccccc3Cl)C2)on1 96454102 FWFGEGCZPUYVQN-UHFFFAOYSA-N 305.765 3.343 0 40 DGAB CC[C@@H](C)Oc1cc(C(=O)N[C@@H](C)c2c(C)noc2C)ccn1 97231473 FLEDSSRCAMJTGE-MNOVXSKESA-N 317.389 3.355 0 40 DGAB CC(C)n1cc2cc(NC(=O)N3CCO[C@H](C)[C@H]3C)ccc2n1 97233970 XSJVRNLGVBLGQC-CHWSQXEVSA-N 316.405 3.258 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100015799 GTBQVLOYUBQHEV-HZPDHXFCSA-N 302.418 3.270 0 40 DGAB CCn1ccc(-c2cc(O)n3ncc(-c4ccc(F)cc4)c3n2)n1 100732953 BFTQPFUMWFKTDR-UHFFFAOYSA-N 323.331 3.124 0 40 DGAB CCc1ccc(NC(=O)N2CCC(N3CC=CC3)CC2)cc1F 102317084 GSGCIFOTMVGGPJ-UHFFFAOYSA-N 317.408 3.256 0 40 DGAB CSCc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c1 106779047 XWRYPKRUCXHHBA-IAGOWNOFSA-N 318.486 3.248 0 40 DGAB COc1cc2c(cc1S(=O)(=O)Nc1ccccc1)CCCC2 223519106 OXDIOXCMVXVGLT-UHFFFAOYSA-N 317.410 3.375 0 40 DGAB Cc1ccc(C)c(OCCNC(=O)[C@@H](C)Oc2ccccc2)c1 224028681 NHGVTHXNLYGHKC-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB COc1ccccc1CN1CCN(C[C@H]2C[C@H]3C=C[C@@H]2C3)CC1 224073401 UOKVAMYHHWWGJP-YQVWRLOYSA-N 312.457 3.025 0 40 DGAB N[C@@H](CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 224337619 GJIOUDGNHUFMOW-SECBINFHSA-N 315.213 3.069 0 40 DGAB CNC(=O)c1cc(N)ccc1Nc1cccc(C(F)(F)F)c1 225477162 DAQAURQTRRPPFY-UHFFFAOYSA-N 309.291 3.391 0 40 DGAB CCCO[C@@](C)(C(=O)Nc1ccc(OCC)nc1C)C1CC1 225913033 PTDHFCINCHSCMT-QGZVFWFLSA-N 306.406 3.323 0 40 DGAB COc1ccc(CNC(=O)c2ccc3[nH]c(Cl)nc3c2)cc1 225976767 YTHXNXLWOHPQEI-UHFFFAOYSA-N 315.760 3.155 0 40 DGAB COc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1Cl 226324030 KYENKEZYNRJUFA-UHFFFAOYSA-N 319.792 3.249 0 40 DGAB CCOC(=O)c1cccc(NC2=CC(=O)N(c3ccccc3)C2)c1 227163275 KRWXYMOOHGEPEM-UHFFFAOYSA-N 322.364 3.206 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OC[C@H](O)CN1CCCCCC1)C2 248337143 PIWZUYGSMGBKSL-ZMMAXQRCSA-N 309.494 3.455 0 40 DGAB O=C1N/C(=C/c2cccs2)C(=O)N1c1ccc(Cl)cc1 409249016 IWHJELDAOCKKBF-XYOKQWHBSA-N 304.758 3.499 0 40 DGAB c1ccc(-n2cc(-c3ccc(C[C@H]4CCNC4)cc3)cn2)nc1 530249574 AKZHHPWPHNBKSW-MRXNPFEDSA-N 304.397 3.086 0 40 DGAB OCc1ccnc(NC[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)n1 549222803 FMFXQNLCIRRFKI-TVQRCGJNSA-N 324.211 3.491 0 40 DGAB Clc1ccc(CCNc2ncnc3c2ncn3C2CC2)cc1 568029587 PFAPFTHTDKVQFE-UHFFFAOYSA-N 313.792 3.469 0 40 DGAB C[C@@H]1CN(C(=O)Nc2cccc3c2CCNC3=O)c2ccccc21 580172229 WLAYESZNCRCSNY-GFCCVEGCSA-N 321.380 3.128 0 40 DGAB Cc1cc(-c2noc(CC3CCC(=O)CC3)n2)cc2nc[nH]c12 585084264 UXAJRHOIXWUMSV-UHFFFAOYSA-N 310.357 3.223 0 40 DGAB O=C(Cc1cc(C2CC2)no1)OCc1cc2ccccc2nc1O 585093588 GVFSRCLDTNLLED-UHFFFAOYSA-N 324.336 3.092 0 40 DGAB O=C(c1cc2ccccc2[nH]1)N1[C@H]2CC[C@H]1CC(n1cccn1)C2 1565519730 NIMQBQGPXMVGSG-GJZGRUSLSA-N 320.396 3.373 0 40 DGAB O=C(Nc1nnc(C(F)(F)F)s1)c1ccc(Cl)cc1 370373 JXEITWKMEHMDQN-UHFFFAOYSA-N 307.684 3.463 0 40 DGAB C[C@@H]1CCc2c(nc3ncnn3c2NCc2ccc(F)cc2)C1 1351055 JAUSNERMLRDCAA-LLVKDONJSA-N 311.364 3.000 0 40 DGAB COc1ccccc1NCC(=O)NC[C@@H](C)c1ccsc1 78951147 JRBQKEVIGZNJNE-GFCCVEGCSA-N 304.415 3.089 0 40 DGAB CCN(CC)CCOC(=O)c1c(C)oc2ccc(OC)cc12 1906468 HIWZFNBWDQSGOQ-UHFFFAOYSA-N 305.374 3.248 0 40 DGAB O=C(Nc1cccn2ncnc12)c1ccc(Cl)cc1Cl 1385381 DXZACKWREOIBEF-UHFFFAOYSA-N 307.140 3.288 0 40 DGAB CC(=O)Nc1ccc(F)c(NC(=O)C2(c3ccccc3)CC2)c1 12553633 JYYYZEOZFHDAOS-UHFFFAOYSA-N 312.344 3.454 0 40 DGAB O=C(OC[C@H]1C[C@H]2CC[C@H]1C2)[C@@H](c1ccccc1)n1cccn1 107348546 BPBVHCHPDFNBIB-DZJNRPSUSA-N 310.397 3.452 0 40 DGAB COc1ccc(S(=O)(=O)NCc2ccco2)cc1C(C)(C)C 7616223 YAPNLMCEKKFENZ-UHFFFAOYSA-N 323.414 3.064 0 40 DGAB O=C(c1cc(Br)c[nH]1)N1CCc2sccc2C1 35181158 PSIDPQHFDVJCAA-UHFFFAOYSA-N 311.204 3.037 0 40 DGAB O=c1[nH]c(N[C@@H]2CCC[C@@H](C(F)(F)F)C2)nc2ccccc12 97994982 FZEIKMFYOGLYDG-NXEZZACHSA-N 311.307 3.456 0 40 DGAB CCN(C)c1cccc(NC(=O)COc2cccc(F)c2)c1 58166667 KTYFGCIUSCNQEF-UHFFFAOYSA-N 302.349 3.299 0 40 DGAB Cc1cccc(C)c1N1C(=O)[C@@H]2Nc3ccccc3S[C@H]2C1=O 104275207 VEKITAQFGXYYII-GDBMZVCRSA-N 324.405 3.132 0 40 DGAB COc1ccccc1CC(=O)N(Cc1ccsc1)C1CC1 58282679 HTHQLIQDOWRTFE-UHFFFAOYSA-N 301.411 3.490 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@@H]1C2)NCc1cccc(Cn2ccnc2)c1 29668379 PMSDPHBJMIRGKE-KFKAGJAMSA-N 323.440 3.374 0 40 DGAB COC(=O)Nc1ccc(NC(=O)C2=Cc3ccccc3OC2)cc1 58356396 ZEBHUIKJLXOROA-UHFFFAOYSA-N 324.336 3.279 0 40 DGAB O=C(O)C[C@H](NC(=O)C[C@@H]1C=CCC1)c1ccccc1Cl 58308188 QOMCGUDNJXXAIO-RISCZKNCSA-N 307.777 3.328 0 40 DGAB O=C(NCc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H]1CCCO1 58428503 QOEOQJWLESVJBN-KRWDZBQOSA-N 321.380 3.025 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCc2sccc2C1 10885483 MSEGRWVUSJXJLH-UHFFFAOYSA-N 311.362 3.053 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCNC(=O)Nc1ccccc1N(C)C 46003761 XQWDLPWAARQJFK-RHSMWYFYSA-N 319.449 3.469 0 40 DGAB Nc1nnc(SCC(=O)Nc2cccc3ccccc23)s1 2619315 CZHSAIIADRXLIQ-UHFFFAOYSA-N 316.411 3.004 0 40 DGAB c1cncc(-c2nc(NC[C@H]3CCCO3)c3ccccc3n2)c1 3427421 DRPQDKIQVZBZQF-CQSZACIVSA-N 306.369 3.283 0 40 DGAB CCOC(=O)CSc1nnc(Nc2ccc(C)cc2)s1 3469906 UHPIBIWSKSKIFQ-UHFFFAOYSA-N 309.416 3.245 0 40 DGAB C[C@@H](N[C@H]1CCc2ccccc21)C(=O)Nc1ccc(Cl)cn1 12945596 TVDNNBUOBUZMJY-ABAIWWIYSA-N 315.804 3.339 0 40 DGAB O=C(NCc1noc(-c2ccco2)n1)[C@H]1CCCc2ccccc21 62903122 YSZUBTSHICIPJO-AWEZNQCLSA-N 323.352 3.066 0 40 DGAB Cc1ccc(CN[C@H]2CCCc3nc(N(C)C)ncc32)s1 64031538 BJPYOBPXKUMATP-AWEZNQCLSA-N 302.447 3.080 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N(C)[C@@H](C)C(C)C)CO2 96998474 FCWSSBXTHKZZPL-ZDUSSCGKSA-N 303.402 3.364 0 40 DGAB CCCCC(=O)Nc1sc2c(c1C(N)=O)CC[C@H](CC)C2 6039782 DFWOQRIILAHKGS-JTQLQIEISA-N 308.447 3.491 0 40 DGAB COC(=O)[C@H]1CCCN1C(=O)c1cc(-c2ccccc2)cs1 65516962 HACHLHLRDSZBEX-CQSZACIVSA-N 315.394 3.193 0 40 DGAB Brc1cccc(COc2nnc3ccccn23)c1 14160525 BXNIDNAVBKVYTM-UHFFFAOYSA-N 304.147 3.071 0 40 DGAB CCC(CC)[C@@H]1C[C@@H](NC(=O)N(C)Cc2cccnc2)CCO1 97048367 BTGSCPWJIZBMOR-IRXDYDNUSA-N 319.449 3.207 0 40 DGAB CSc1nc(NC[C@H](C)O)c2sc3c(c2n1)CCCC3 6669710 ASCSAKYBPWKMKV-QMMMGPOBSA-N 309.460 3.085 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)cc1F 7031937 ZLJDNBUDSWWDIT-UHFFFAOYSA-N 323.270 3.208 0 40 DGAB CC1CCN(CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)CC1 7459908 CHUCHAJWXAQPLB-MRXNPFEDSA-N 314.473 3.475 0 40 DGAB C[C@@H](NC[C@@]1(O)CCc2ccccc21)c1ccccc1N(C)C 90779787 QKTAFNYVPHBCRC-QRWLVFNGSA-N 310.441 3.237 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(OC)c2)c1C 9502555 ISHJSDYFNRGGEH-UHFFFAOYSA-N 316.357 3.069 0 40 DGAB Cc1cc(Br)cnc1N(C)C(=O)c1ccccc1 91301327 CSOQEDDCMIREKI-UHFFFAOYSA-N 305.175 3.429 0 40 DGAB Cc1nccn1[C@@H]1CCCN(C(=O)CC(C2CC2)C2CC2)C1 70040183 WNZKUAZGORGKJH-MRXNPFEDSA-N 301.434 3.181 0 40 DGAB Cc1noc([C@H](C)OC(=O)c2cccn2Cc2cccs2)n1 70007751 MEQKJJAOKUJLDQ-JTQLQIEISA-N 317.370 3.207 0 40 DGAB Cc1ccc(OCCNC(=O)N2CCc3ccccc3C2)cc1 17118658 YQSUHWSDXUVENP-UHFFFAOYSA-N 310.397 3.142 0 40 DGAB Cc1ccc2c(c1)[C@H](NC(=O)N(C)Cc1cc(C)on1)[C@@H](C)C2 96500409 ZVVWPGMHNBXGAL-YVEFUNNKSA-N 313.401 3.366 0 40 DGAB COc1ccc(C(C)C)cc1S(=O)(=O)Nc1nccs1 72414557 COYGCWMNURFJBN-UHFFFAOYSA-N 312.416 3.076 0 40 DGAB Cc1ccc(N2CCC[C@@H](Nc3nc4ccccc4o3)C2)nn1 69815355 ABQDALSHKQRLLI-CYBMUJFWSA-N 309.373 3.007 0 40 DGAB O=C(c1cccs1)N1CCc2n[nH]c(-c3ccccc3)c2C1 8743142 IKAOLHOJBNBZMI-UHFFFAOYSA-N 309.394 3.337 0 40 DGAB Cc1noc(C)c1NC(=O)c1cc(C)n(-c2cccnc2)c1C 84081436 WEHCMDDKCJDWCN-UHFFFAOYSA-N 310.357 3.346 0 40 DGAB Cc1cccn2c(CNc3cccc(N4CCOCC4)c3)cnc12 95428571 CONBSSDHQFEUJI-UHFFFAOYSA-N 322.412 3.091 0 40 DGAB CSCc1cc(F)ccc1CNc1cn[nH]c(=O)c1Cl 88742303 IXXYWLQNGVZBJA-UHFFFAOYSA-N 313.785 3.038 0 40 DGAB COC(=O)c1ccc(NC(=O)N(C)Cc2ccc[nH]2)cc1Cl 89360987 IZWJDQRCDJUFHZ-UHFFFAOYSA-N 321.764 3.119 0 40 DGAB CN(C)Cc1ccc(C(=O)N[C@@H]2C[C@H]2c2ccc(F)cc2)cc1 89319403 RQTHZGCIUWMYQZ-ZWKOTPCHSA-N 312.388 3.173 0 40 DGAB O=C(Nc1cc(C(F)(F)F)c[nH]c1=O)[C@H]1C[C@H]1c1ccccc1 75123054 UBMXCKYJBAOCPQ-RYUDHWBXSA-N 322.286 3.136 0 40 DGAB Cn1cc(/C=C/C(=O)NCCc2cscn2)c2ccccc21 89749891 BBIFNHGJOXOFEM-VOTSOKGWSA-N 311.410 3.007 0 40 DGAB O=C(Nc1ccc(CCO)cc1)[C@@H]1SCCc2ccccc21 89865426 LYMUQNWOCYKXJY-QGZVFWFLSA-N 313.422 3.191 0 40 DGAB C[C@@H](CC[S@](C)=O)NC(=O)Nc1cc(Cl)ccc1Cl 76092085 XUAOSVRCXLCELW-WPCRTTGESA-N 323.245 3.272 0 40 DGAB COc1cc(CN(C)Cc2cc(C)no2)c(SC)cc1OC 76020960 UDIQXJWCRQLKFO-UHFFFAOYSA-N 322.430 3.354 0 40 DGAB CC(C)(C)NC(=O)c1ccn(COc2ccccc2Cl)n1 28237007 NKZCKBUYWLYUQG-UHFFFAOYSA-N 307.781 3.101 0 40 DGAB CSc1nc(C)cc2nnc(SCc3ccccc3)n12 34426493 YOONJWSQNKBDMJ-UHFFFAOYSA-N 302.428 3.447 0 40 DGAB CCN1CCC[C@@]2(CCN(C(=O)c3ccc4[nH]ccc4c3)C2)C1 1040360027 JDQJRUPDRRVOEN-LJQANCHMSA-N 311.429 3.116 0 40 DGAB Cc1nn(C)cc1-c1cc(C(F)F)nc(NCc2ccco2)n1 36618554 JKPXYPVDUUXNFK-UHFFFAOYSA-N 319.315 3.328 0 40 DGAB CCc1ccc(-c2cc(NC(=O)[C@H](C)n3ccnc3)on2)cc1 79099389 WIJGNMXAYCXEBM-LBPRGKRZSA-N 310.357 3.300 0 40 DGAB COc1ccc(O[C@H](Cc2cc(C)ccc2C)C(=O)O)cc1 225028926 LLOHOTOMHKOXPR-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)N2C(=O)CCCc3ccccc32)n1 227168924 UKSDOPFDIKOZCP-CQSZACIVSA-N 323.396 3.087 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](OCC[C@@H](O)CN1CCCCC1)C2 226625161 QHYMIDXILVIDSE-ZMMAXQRCSA-N 309.494 3.455 0 40 DGAB COc1cccc(O[C@H](Cc2c(C)cccc2C)C(=O)O)c1 225031518 WSSPILAAZVAKSQ-QGZVFWFLSA-N 300.354 3.387 0 40 DGAB COc1cc(CO)cc(CSC)c1OC(=O)c1ccccc1 226288648 FQHRHBFMNSZDFS-UHFFFAOYSA-N 318.394 3.270 0 40 DGAB C[C@@H](O)c1ccc(CCNC(=O)Nc2ccccc2F)s1 225690453 QFOSVDLVAAVACM-SNVBAGLBSA-N 308.378 3.305 0 40 DGAB CCCc1noc(C2CCN(C(=O)NC3CCCCC3)CC2)n1 41121834 OUDPOVUHTJZAOR-UHFFFAOYSA-N 320.437 3.244 0 40 DGAB COCc1cccc(NS(=O)(=O)Cc2cccc(C)c2)c1 224169288 YJWFNEILBCYEJT-UHFFFAOYSA-N 305.399 3.083 0 40 DGAB Cc1ccc(C[C@H](C)NC(=O)Cc2c(C)noc2Cl)s1 96414576 FXNJGTBVPJRTIG-QMMMGPOBSA-N 312.822 3.296 0 40 DGAB CC(C)n1ccc2c(C(=O)N[C@@H]3CN4CCC3CC4)cccc21 95476876 GWEPLWFQMRETON-QGZVFWFLSA-N 311.429 3.046 0 40 DGAB CN(Cc1cscn1)C1CCN(c2cccc(F)c2)CC1 95407509 BWNCURGVLWFTFU-UHFFFAOYSA-N 305.422 3.383 0 40 DGAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)Cc1cc(F)ccc1F 96443100 NPRQDQYEEVCFFS-WDEREUQCSA-N 305.328 3.090 0 40 DGAB CO[C@H]1CCN(Cc2cccc(C)n2)C[C@@H]1Cc1ccccc1 96110474 QYEQQIZEIILARP-ICSRJNTNSA-N 310.441 3.470 0 40 DGAB Cn1c(C(=O)N2CCCC[C@@H]2CCC(=O)O)cc2ccccc21 237711112 KWTJIDJHNYPNJX-CQSZACIVSA-N 314.385 3.038 0 40 DGAB Cc1cccc(NC2CCN(CCCc3cnn(C)c3)CC2)c1 96421200 XVTAOSBKODBFCS-UHFFFAOYSA-N 312.461 3.238 0 40 DGAB C[C@@H](S[C@@H]1CCN(C2CCOCC2)C1=O)c1cccc(F)c1 95406545 ZRUMXKOPOFFAIO-MLGOLLRUSA-N 323.433 3.400 0 40 DGAB O=C(CCCc1ccccc1)N1CCO[C@H](Cc2ccccc2)C1 85473049 QNPYTBRKSLMEHI-HXUWFJFHSA-N 323.436 3.479 0 40 DGAB COc1ccc(S[C@H](C)C(=O)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1 260449435 VGWPKCOANXWONX-LMOYCYGVSA-N 305.443 3.481 0 40 DGAB Cc1ccc(Cc2noc(-c3cccc(OC(C)C)n3)n2)cn1 390834379 XNGPVQJOBRMXRM-UHFFFAOYSA-N 310.357 3.213 0 40 DGAB COC(=O)c1ccc(Br)c(OCc2ccccc2)n1 953034337 WHHSUAWUCPEFSG-UHFFFAOYSA-N 322.158 3.210 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1ccc3cc[nH]c3c1)CCO2 81279326 YFHLCEDQKBTKRI-UHFFFAOYSA-N 308.337 3.216 0 40 DGAB Cc1ccc(O)c(NC(=O)c2ccc(Br)cc2N)c1 94574245 VFZJXTJUIZIJOM-UHFFFAOYSA-N 321.174 3.298 0 40 DGAB O=C(CSc1nc2ccccc2[nH]1)NCCc1cccs1 5270158 AWLPICWHPTXBQF-UHFFFAOYSA-N 317.439 3.075 0 40 DGAB CN(c1ccccn1)C1CCN(c2cnc3ccccc3n2)CC1 1889151711 FXYKHOPVFVLQDX-UHFFFAOYSA-N 319.412 3.130 0 40 DGAB O[C@H](CN1CCN(c2ccccc2Cl)CC1)c1ccccc1 25436847 PNWMQQKQDQGVLS-GOSISDBHSA-N 316.832 3.196 0 40 DGAB C[C@@H]1c2ccsc2CCN1S(=O)(=O)c1ccc(F)cc1 12749979 MSNNPMLLEXKFLL-SNVBAGLBSA-N 311.403 3.195 0 40 DGAB O=C(Nc1ccc2c(c1)OCCO2)C1(c2ccc(F)cc2)CC1 21695677 SDSVMOHNCRHATG-UHFFFAOYSA-N 313.328 3.267 0 40 DGAB CC(C)CNc1nc(C(=O)Nc2nnc(C3CC3)s2)cs1 40285909 RPUNVVJJVCMEMX-UHFFFAOYSA-N 323.447 3.192 0 40 DGAB Cc1ccc2c(nc3s/c(=C\c4cccc(F)c4)c(=O)n32)c1C 82919 OPQANFMJQKMLOB-DHDCSXOGSA-N 324.380 3.213 0 40 DGAB COc1ccc(/C=C2\C(=O)Nc3ccccc32)c(OC)c1OC 40310240 VURUIRZXLKBSIG-RAXLEYEMSA-N 311.337 3.205 0 40 DGAB biogenic O=C(Cc1cccc2cccnc12)NCCc1ccccc1F 40485852 ATUZMBVTQLOWJE-UHFFFAOYSA-N 308.356 3.275 0 40 DGAB CN(C(=O)COC(=O)c1cccc(Cl)c1)c1ccc(F)cc1 51356116 RFKORRAHYPYFMF-UHFFFAOYSA-N 321.735 3.299 0 40 DGAB CC(C)(C)NC(=O)CCSc1nnc(-c2ccccc2)o1 386080 VMVCDHDJAOZFAW-UHFFFAOYSA-N 305.403 3.134 0 40 DGAB Cn1ccnc1SCCOc1ccc(Br)cc1 41104360 RLGAIYNDDCYTFE-UHFFFAOYSA-N 313.220 3.354 0 40 DGAB O=C(CN1CCCc2cccc(F)c21)N1CCc2ccccc2C1 32906851 RTWWPMBDYQYKJC-UHFFFAOYSA-N 324.399 3.163 0 40 DGAB CC(C)(C)c1ccc(OCC(=O)Nc2ncccc2O)cc1 22263532 CVBSFBPVMXOZSO-UHFFFAOYSA-N 300.358 3.102 0 40 DGAB C[C@H]1CCCN(C(=O)C2CCN(Cc3ccccc3F)CC2)C1 317545 XNPVBXLEWRYESJ-HNNXBMFYSA-N 318.436 3.296 0 40 DGAB Cc1nn(C)c(C)c1NC(=O)Nc1cccc(Br)c1 43134534 OPUUOAPTUSKANC-UHFFFAOYSA-N 323.194 3.443 0 40 DGAB O=C(NC1CC1)[C@H](N[C@H]1C[C@@H]1c1ccccc1)c1ccccc1 106147509 NIPYEECYHMYYOX-CEXWTWQISA-N 306.409 3.152 0 40 DGAB O=C(c1cc2cc(C(F)(F)F)ccc2s1)N1CCOCC1 1390456 XPVYNPFQBQCZOS-UHFFFAOYSA-N 315.316 3.393 0 40 DGAB CN(CC1CCCCC1)C(=O)Nc1ccc(S(C)(=O)=O)cc1 43419014 RQYAOTKSJSZAKB-UHFFFAOYSA-N 324.446 3.134 0 40 DGAB COc1ccc([C@@H](NC(=O)Nc2nnc(C)s2)C2CC2)cc1 43407494 UIUHCKDTBFXCQU-ZDUSSCGKSA-N 318.402 3.128 0 40 DGAB CCCCCC[C@H]1C[C@](C)(C(=O)CNc2ccccn2)OC1=O 1901953 PDPLZGMSPMHKOY-KBXCAEBGSA-N 318.417 3.355 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)Nc3cc(C)on3)C2)cc1 58218661 YXVAYJZDEZJTMD-CYBMUJFWSA-N 301.346 3.013 0 40 DGAB C[C@H]1CN(C(=O)Nc2cc(F)c(F)cc2F)CC(C)(C)O1 105045898 VMZVMULOYYHKSA-QMMMGPOBSA-N 302.296 3.135 0 40 DGAB CCCN1CC[C@@H](CNC(=O)Nc2ccc(OC(C)C)cc2)C1 97258121 AGWIICQTXYFTCD-HNNXBMFYSA-N 319.449 3.327 0 40 DGAB CCCn1c(=O)n(C[C@H](O)c2ccc(F)cc2)c2ccccc21 58647846 IJEVIUQLUYHYAD-KRWDZBQOSA-N 314.360 3.086 0 40 DGAB COc1ccc([C@H]2CCCN2Cc2cc(C)on2)cc1OC 36393916 UDFFNLHDEYPLGW-OAHLLOKOSA-N 302.374 3.337 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)c1csc(-c2ccsc2)n1 45525060 AMTPVOARFAKGHQ-VHSXEESVSA-N 308.428 3.121 0 40 DGAB CCCCc1ccc(NC(=O)N[C@H](C(=O)OC)C(C)C)cc1 2425804 DUZWDOYETBGZSV-HNNXBMFYSA-N 306.406 3.348 0 40 DGAB C[C@H](CNC(=O)Nc1ccc(F)cc1)N(C)c1ccccc1 45950766 HPRDAUTZKBILTJ-CYBMUJFWSA-N 301.365 3.472 0 40 DGAB COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)[C@H]1CCCCN1 28645531 JUKMAYKVHWKRKY-OLZOCXBDSA-N 302.201 3.392 0 40 DGAB in-vivo O=C(COC(=O)c1cc(Cl)ccc1Cl)NC1CCCC1 3237337 CRAIDNXWFAXRQW-UHFFFAOYSA-N 316.184 3.209 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(CN(C)Cc2cc(=O)n3ccccc3n2)o1 48262312 BWXURKRRDOFSJC-CZUORRHYSA-N 323.396 3.043 0 40 DGAB O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc[n+]1[O-] 48252397 GWTYRVZHWDOWAQ-UHFFFAOYSA-N 305.337 3.316 0 40 DGAB COc1ccccc1C(=O)NCCSCc1ccccc1F 10280505 SLAXAMOTDCDPQI-UHFFFAOYSA-N 319.401 3.498 0 40 DGAB Cn1c(CNc2cccc(N3CCOCC3)c2)nc2ccccc21 95428576 KRZIATITHGJCIL-UHFFFAOYSA-N 322.412 3.022 0 40 DGAB CCN(CC)CCNCc1cc(Cl)cc(Cl)c1OC 22074948 MFGPARUWDYXDOD-UHFFFAOYSA-N 305.249 3.433 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)[C@H]2CC=CCC2)c1 48342652 XJAASDGZUCRXRM-HOCLYGCPSA-N 314.429 3.187 0 40 DGAB CSc1nc(C)c(CCC(=O)N(C)c2ccccc2)c(C)n1 12998210 FJGHABQPYKZRIG-UHFFFAOYSA-N 315.442 3.411 0 40 DGAB CC(C)(C)c1ncc(NC(=O)c2ccc(Br)o2)cn1 49140646 PNDVMIDYDQNGGB-UHFFFAOYSA-N 324.178 3.382 0 40 DGAB CC(C)(C)OC(=O)N[C@@](C)(Cc1c[nH]c2ccccc12)C(=O)O 38882674 LJPMZDOWNYFYCN-KRWDZBQOSA-N 318.373 3.078 0 40 DGAB O=C(O)C[C@H](NC(=O)Cc1ccc(Cl)cc1)c1cccs1 13389098 UVNAMUYFEJDQFE-LBPRGKRZSA-N 323.801 3.276 0 40 DGAB Cc1cc(NC(=O)c2ccc3c(c2)OCO3)n(C2CCCC2)n1 28246554 UFQKYIDSELJPCG-UHFFFAOYSA-N 313.357 3.288 0 40 DGAB COc1ccc2[nH]c3c(c2c1)CN(C(=O)c1cccs1)CC3 5271733 INMHBVTZZQGOGA-UHFFFAOYSA-N 312.394 3.437 0 40 DGAB biogenic CC(C)c1n[nH]c(S[C@@H](C)C(=O)N(C)c2ccccc2)n1 14110799 OIFLQNOWRSUVSW-NSHDSACASA-N 304.419 3.072 0 40 DGAB CC[C@H](NC(=O)N1CCSC(C)(C)C1)c1ncc(C)s1 83733797 HDBHSFVXAVVJPZ-NSHDSACASA-N 313.492 3.440 0 40 DGAB C[C@@H]1CCc2ccccc2N1CC(=O)NC(=O)Nc1ccccc1 15481223 LKGOCFBESHRJGN-CQSZACIVSA-N 323.396 3.176 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)Nc1ccc(C(C)(C)C(N)=O)cc1 71916303 FQQMTTHKKCXPLR-CYBMUJFWSA-N 319.449 3.396 0 40 DGAB CNc1snc(C)c1C(=O)OCC(=O)c1ccc(Cl)cc1 8192516 LNEYJNCPMUNVDG-UHFFFAOYSA-N 324.789 3.186 0 40 DGAB Cc1ccc(C(=O)NCc2ccc3c(c2)OCCCO3)cc1C 64667327 VQMJIUHIEZNGSN-UHFFFAOYSA-N 311.381 3.395 0 40 DGAB Cc1noc(C)c1CN(CCc1ccccc1)[C@H]1CCOC1 84023301 XRDZFMNXQFULOR-KRWDZBQOSA-N 300.402 3.125 0 40 DGAB O=C(C[C@@H]1CCCO1)N(CCc1ccccc1)Cc1ccncc1 69489985 LPVGACXFVWLPNF-IBGZPJMESA-N 324.424 3.222 0 40 DGAB CCc1n[nH]c(SCc2nc3c(F)cccc3n2CC)n1 69538977 BKKPPUXYYDHWNN-UHFFFAOYSA-N 305.382 3.168 0 40 DGAB O=C(Nc1ccc(Cl)c(Br)c1)[C@@H]1CCOC1 94670856 AKAFBEXBRKWVII-SSDOTTSWSA-N 304.571 3.078 0 40 DGAB Cc1cccc(C[S@@](=O)[C@H](C)C(=O)Nc2ccccc2)c1 69810389 UPOOEGOZUGIFKM-SZNDQCEHSA-N 301.411 3.271 0 40 DGAB Cc1cc(N[C@H]2C[C@H](C)N(C3CC3)C2)ccc1C(=O)NC(C)C 97050973 SQIPHGIMHYJRKT-HOCLYGCPSA-N 315.461 3.170 0 40 DGAB Cc1ccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@@H]2Cn2cccn2)s1 69967367 SMUMZBIFPBRUJO-KFWWJZLASA-N 315.442 3.048 0 40 DGAB CCc1nc([C@H]2CCCN(c3ncnc4sccc34)C2)no1 72279240 BJYYBSCZXKUGDK-JTQLQIEISA-N 315.402 3.021 0 40 DGAB Cc1sc2nc(SCc3ccccn3)n(C)c(=O)c2c1C 8747003 DXYBMSVJGMCRIJ-UHFFFAOYSA-N 317.439 3.299 0 40 DGAB COc1ccc(CN(C)C(=O)c2[nH]c(C)c(C(C)=O)c2C)cc1 8938469 HVUHOUXMKREQDY-UHFFFAOYSA-N 314.385 3.115 0 40 DGAB CCN(CC(=O)Nc1cc(Cl)ccc1C)C(=O)NC(C)C 9048741 PCROXXRPXJJKSF-UHFFFAOYSA-N 311.813 3.027 0 40 DGAB COC(=O)[C@@H](Nc1cc(OC)cc(OC)c1)c1ccccc1 9157383 YNCVGWOPJUUNBR-INIZCTEOSA-N 301.342 3.030 0 40 DGAB COc1ccc2c(c1)C[C@H](NCCc1csc(C)n1)CC2 95973563 LOWLRDCHQSAMOD-OAHLLOKOSA-N 302.443 3.150 0 40 DGAB CC(C)(C)SCCCC(=O)N1CC[C@@]2(O)CCCC[C@H]2C1 95973784 ZDLZVRFXHFCUGL-YOEHRIQHSA-N 313.507 3.452 0 40 DGAB CC(=O)N[C@H](C)C(=O)Nc1cccc(CSC(C)C)c1C 89540389 URDQHLCTLOQYIV-GFCCVEGCSA-N 308.447 3.100 0 40 DGAB O=C(NCc1ccc2c(c1)CCC2)c1cc(-c2cccnc2)on1 89794097 YJXCHBCULLUHKU-UHFFFAOYSA-N 319.364 3.155 0 40 DGAB COc1cc(C)ccc1C(=O)Nc1c[nH]nc1-c1ccccn1 548377496 DGYORLIOTOEIQK-UHFFFAOYSA-N 308.341 3.041 0 40 DGAB CCc1noc(C)c1NC(=O)N1CC2(CCOCC2)[C@@H]1C(C)C 521409930 HORBRVIZRKEXJK-HNNXBMFYSA-N 321.421 3.214 0 40 DGAB Oc1nnc(-c2ccc(F)cc2)c2sc(N3CCCC3)nc12 32616591 CEQCDCONEVJKEP-UHFFFAOYSA-N 316.361 3.198 0 40 DGAB Cc1nc(CCNC(=O)N2CC[C@H](c3ccccc3)C2)cs1 79320565 AOADRNGBDMJZBJ-HNNXBMFYSA-N 315.442 3.193 0 40 DGAB CC[C@@H](NC(=O)c1cc(C)nc2c1cnn2C)c1ccc(C)cc1 36616139 ZAFJGFFSPZVIFJ-QGZVFWFLSA-N 322.412 3.466 0 40 DGAB CC[C@@H](NC(=O)NCc1cccnc1)c1cc(F)ccc1F 77517953 MKYCZJKILJDWBW-OAHLLOKOSA-N 305.328 3.310 0 40 DGAB COc1ccc(S[C@@H](C)C(=O)Nc2ccc(Cl)nn2)cc1 79040347 RCVKLYUIGPIQMO-VIFPVBQESA-N 323.805 3.258 0 40 DGAB COc1ccc(-c2[nH]nc3c2C(=O)CC(C)(C)C3)cc1OC 71288281 ZBIHPBFCVDIBAJ-UHFFFAOYSA-N 300.358 3.249 0 40 DGAB C[C@@H](CN(C)C(=O)c1[nH]ncc1Br)c1ccccc1 78928895 DLIGPPMXXDQZIZ-JTQLQIEISA-N 322.206 3.048 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3)cc1 78403833 OXUNTLPQMVWCKV-LBPRGKRZSA-N 302.399 3.152 0 40 DGAB CCc1ccccc1C[C@@H](Oc1ccccc1OC)C(=O)O 225040474 BMMSHVDTIVYFOB-QGZVFWFLSA-N 300.354 3.332 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2 63554075 FSVFRODSCIXQLC-LLVKDONJSA-N 317.458 3.267 0 40 DGAB CCN(CC)C(=O)N1CCC(C(=O)c2ccc(C)cc2)CC1 49700794 AQPFVVSFEHKECM-UHFFFAOYSA-N 302.418 3.352 0 40 DGAB c1cc(COC2CCOCC2)ccc1CN[C@H]1CCCSC1 195558708 PSBSVIOEXOWNIZ-KRWDZBQOSA-N 321.486 3.367 0 40 DGAB CC1(C)CC(=O)[C@H]2C(c3cccc(C(F)(F)F)c3)=NN[C@H]2C1 228924517 VXFCTMWUXGFSCN-AAEUAGOBSA-N 310.319 3.387 0 40 DGAB Cc1ccc(C)c([C@H]2CCCN2Cc2nc(C(=O)O)co2)c1 573500287 QFWDALABKVGHPC-OAHLLOKOSA-N 300.358 3.327 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)N[C@H](C)CC 225010513 WEAYDXYSPPSKJB-HUUCEWRRSA-N 304.434 3.119 0 40 DGAB CC1CCN(S(=O)(=O)c2ccc3c4c(cccc24)CC3)CC1 226862357 NNJQNTGBFSHDLI-UHFFFAOYSA-N 315.438 3.359 0 40 DGAB C[C@H](Cc1ccc2c(c1)CCO2)NC(=O)/C=C/c1cccs1 225597054 IVWOWGLZMZFSMZ-VUDGCMKMSA-N 313.422 3.444 0 40 DGAB Cc1ccccc1CNC(=O)C(=O)NCc1ccc(C(C)C)cc1 339695322 VBGIKOUYXXSJKQ-UHFFFAOYSA-N 324.424 3.051 0 40 DGAB CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 195559855 LWLPORXSTYOEKY-XXHPDZBISA-N 315.413 3.157 0 40 DGAB CC(=O)c1cccc(NC(=O)NC[C@@H]2CCO[C@@H]2C(C)C)c1 96454089 RYBARDJCVFYEOZ-GOEBONIOSA-N 304.390 3.072 0 40 DGAB CCO[C@@H](C)C(=O)N[C@@H](c1cccc(F)c1F)C(F)(F)F 97371980 ISQNORQPIBLZKR-CPCISQLKSA-N 311.250 3.109 0 40 DGAB CC(C)c1cc(NC(=O)N2CCCC[C@@H]2c2ncc[nH]2)no1 96461742 SLOCRHDGFLYLOE-LLVKDONJSA-N 303.366 3.280 0 40 DGAB O=C(O)[C@@H](c1cccc(Cl)c1)N1CC[C@H](c2cccnc2)C1 579721727 BQHNNCWRVNYTEY-GOEBONIOSA-N 316.788 3.350 0 40 DGAB C/C(=C\C(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1 584908422 FKHKKMABZKHXDY-OKFGHLOFSA-N 301.386 3.193 0 40 DGAB CN(C(=O)c1cnc(C(C)(C)C)nc1)[C@@H]1CCCc2cccnc21 585083888 OQKFMRSELJYRLD-OAHLLOKOSA-N 324.428 3.319 0 40 DGAB CO[C@H](C)c1cccc(NC(=O)N[C@H]2CCCC[C@H]2CO)c1 252581975 VEVKTKBOYYZOFX-INWMFGNUSA-N 306.406 3.067 0 40 DGAB CN(C(=O)C1CCN(c2nccs2)CC1)c1ccccc1 72318956 ABPWFYLROQRCDC-UHFFFAOYSA-N 301.415 3.023 0 40 DGAB OC1(Cc2ccc(Cl)cc2Br)CCOCC1 1083806394 UOCMFEOUYREMAE-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB O=C(c1cc(-c2ccccc2)[nH]n1)N1CCC2(CC1)CC2(F)F 652845045 GEKXGHMWIAOSDH-UHFFFAOYSA-N 317.339 3.338 0 40 DGAB C[C@@H]1Cc2ccc(O)c3c2[C@@H](C1)O[C@]31OCc2c(O)cccc21 1772591544 DUGITLZTNWBCLB-ZJEXCSKESA-N 310.349 3.483 0 40 DGAB CCc1cccc2cc3c(nc12)OC(=O)N(C[C@@H]1CCCO1)C3 12276679 JOXCRHIVSJGBJS-HNNXBMFYSA-N 312.369 3.291 0 40 DGAB Cc1ccc(CNC(=O)C2(CC(=O)NC(C)C)CCCC2)cc1 12567004 UMLZUWQFWNOXIV-UHFFFAOYSA-N 316.445 3.086 0 40 DGAB O=C1/C(=C\c2ccccc2O)C(=S)SN1Cc1ccco1 17064538 YOIHDVOJULTDJB-XYOKQWHBSA-N 317.391 3.387 0 40 DGAB Cn1cc(/C=C/C(=O)N[C@H](c2ccccc2)c2cccs2)cn1 25775293 CIZSVTHSSLWAAQ-QZEKMECESA-N 323.421 3.401 0 40 DGAB CCCCN(CC)C(=O)C(=O)c1c(C)n(C)c2ccccc12 4062379 NLRUNMMEXJYTQF-UHFFFAOYSA-N 300.402 3.318 0 40 DGAB O=C(NC[C@@H](O)c1ccc(-c2cccs2)cc1)c1ccco1 1775976501 AQFLENLWQVMBRK-CQSZACIVSA-N 313.378 3.472 0 40 DGAB ClC1(Cl)C[C@H]1CNc1ccc(-c2nnnn2C2CC2)cc1 40061507 SYVGZSOVSKZYOB-JTQLQIEISA-N 324.215 3.281 0 40 DGAB Cc1ccc(C(=O)NCc2ccc(N3CCCCC3)nc2)s1 40118871 UTJJZKRXFLEICH-UHFFFAOYSA-N 315.442 3.372 0 40 DGAB COc1cc2c(cc1OC)[C@@H](C(Cl)(Cl)Cl)OC2=O 74593 QJPNVXXOEPWFHJ-VIFPVBQESA-N 311.548 3.286 0 40 DGAB O=C(Nc1cccc2c1CCCC2)[C@@H]1COc2ccccc2O1 213534 QQKTUYTXRZXASQ-SFHVURJKSA-N 309.365 3.344 0 40 DGAB O=C(c1ccc(=O)[nH]c1)N1CCC[C@H]1c1ccc(Cl)cc1 32796221 GGEJNSZXXBTNIX-AWEZNQCLSA-N 302.761 3.006 0 40 DGAB COC(=O)Nc1cccc(C(=O)N2CCC[C@H]2C2CCC2)c1 103085717 SQGNQTLVLBQFFM-HNNXBMFYSA-N 302.374 3.270 0 40 DGAB Cc1oc2c3c(ccc2c(=O)c1-c1ccc(N)cc1)OCCO3 518789 RWWGZPNLVNZPMW-UHFFFAOYSA-N 309.321 3.122 0 40 DGAB biogenic CN(CCNC(=O)c1csc2c1CCCC2)c1ccccc1 22838657 ONSVOCAQXPWGOU-UHFFFAOYSA-N 314.454 3.493 0 40 DGAB Cc1ccnc(NC(=O)COc2ccc(Cl)cc2Cl)n1 815616 AGWONFHPXDZMON-UHFFFAOYSA-N 312.156 3.109 0 40 DGAB Cc1ccc(-c2nnc([C@H](C)N3C[C@@H](C)O[C@H](C)C3)o2)cc1 23674188 VMKDHCXPMCCRML-MCIONIFRSA-N 301.390 3.215 0 40 DGAB O=c1c2ccccc2nc(CN2CCCCC2)n1-c1ccccc1 121046 VVZDEMVHYLZACV-UHFFFAOYSA-N 319.408 3.372 0 40 DGAB CC(=O)Oc1c(-c2ccccc2)c(=O)n2c3c(cccc13)CC2 159752 QYKGQVTUYAMBFX-UHFFFAOYSA-N 305.333 3.150 0 40 DGAB O=C(Nc1ccccc1)[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 282624 YOBSDWXUDPKZDW-LBPRGKRZSA-N 314.772 3.332 0 40 DGAB CC1CCN(C(=O)C2CCN(Cc3ccccc3)CC2)CC1 317666 RAFVBXFYNZBAMM-UHFFFAOYSA-N 300.446 3.157 0 40 DGAB Cc1ccc(C)c(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)c1 386340 KPFYVWCRBRCDFB-KRWDZBQOSA-N 322.408 3.258 0 40 DGAB O=C(Nc1ncn(Cc2ccccc2)n1)c1ccccc1Cl 2794590 XJXMCBJWTCGPFS-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB Cc1cc(C)c(NC(=O)COC(=O)/C=C/c2ccco2)c(C)c1 3275658 AEHVGTJGRYZUGB-VOTSOKGWSA-N 313.353 3.400 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C(=O)N2CCCCCC2)CC1 4104090 XUQNRNHUTLFSLT-UHFFFAOYSA-N 310.438 3.036 0 40 DGAB Cc1ccc(CNC(=O)C2(c3cccs3)CCOCC2)cc1 4478922 QYOACOLTKNZHHQ-UHFFFAOYSA-N 315.438 3.421 0 40 DGAB CCCCC[C@@H](C)NC(=O)CCC(=O)NCc1ccc(C)o1 4673091 GGCFNHSLICOXRV-CYBMUJFWSA-N 308.422 3.069 0 40 DGAB CC(=O)N1C[C@@H](C)C(=O)N(Cc2ccccc2)c2ccccc21 5528191 NRDMIEMDHPNDSD-CQSZACIVSA-N 308.381 3.222 0 40 DGAB CCOC(=O)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 5636878 WDRGIYSOKQFHPY-UHFFFAOYSA-N 305.280 3.394 0 40 DGAB CC(C)C(=O)NC(=S)Nc1ccc(CN2CCCCC2)cc1 5817235 JOOOBUMUGICGNR-UHFFFAOYSA-N 319.474 3.142 0 40 DGAB Cc1ccc2cccc(OCC(=O)N3C[C@@H](C)C[C@H](C)C3)c2n1 5931469 SPTHPIRQSXVAKF-KBPBESRZSA-N 312.413 3.427 0 40 DGAB C[C@]12CCC(=O)N1c1ccccc1C(=O)N2c1ccc(F)cc1 6268585 ICZWEOLXWBBWTC-GOSISDBHSA-N 310.328 3.329 0 40 DGAB CCCNC(=O)[C@H](C)Sc1nccn1-c1cccc(C)c1C 7179609 WDUCINXUCUDDCW-AWEZNQCLSA-N 317.458 3.496 0 40 DGAB CN(CC(=O)N[C@@H]1CCCc2ccccc21)Cc1ccccc1 7785817 ZXNJZPPMMHVYDL-LJQANCHMSA-N 308.425 3.312 0 40 DGAB Cc1ccc(Oc2nnnn2-c2ccccc2)c2c1[C@H](C)CC2=O 8329229 WZVUFMFLAAAPLQ-GFCCVEGCSA-N 320.352 3.453 0 40 DGAB O=C(CN1CCCc2ccccc21)Nc1cccnc1Cl 8343085 ORDVJFFIJJMARS-UHFFFAOYSA-N 301.777 3.126 0 40 DGAB Cc1cc(C(=O)O)ccc1NC(=O)CSc1ccccc1 8391614 OLQOWPWWBBZJSS-UHFFFAOYSA-N 301.367 3.424 0 40 DGAB COc1cccc(NC(=O)c2ccc3[nH]c(C)cc(=O)c3c2)c1 8587477 QGDSFWOSQLKYBH-UHFFFAOYSA-N 308.337 3.097 0 40 DGAB C[C@H]1C[C@H](C)CN(C[C@H](O)COC23CC4CC(CC(C4)C2)C3)C1 10434620 VPFMQNLGAWHOPI-FGMWCOEWSA-N 321.505 3.311 0 40 DGAB CC1(C)CC(NC(=O)c2cc3ccccc3o2)CC(C)(C)N1 10814491 LDLNNRJMWQWFBP-UHFFFAOYSA-N 300.402 3.472 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)C(=O)OCc2ccccc2C)c1 11823495 FPFJEDNIFBINHW-HNNXBMFYSA-N 311.381 3.165 0 40 DGAB FC(F)(F)c1ccc(N2CCOCC2)c(Br)c1 12370572 AGOXTIRRUBMZKH-UHFFFAOYSA-N 310.113 3.305 0 40 DGAB Cc1ccc(NC(=O)c2cc(Br)ccc2O)nc1 12543304 KBCVJTMABVOQCH-UHFFFAOYSA-N 307.147 3.110 0 40 DGAB Cc1nc2cc(NC(=O)COc3ccc(F)cc3)ccc2o1 12727896 KAHKNZAVVKNMKG-UHFFFAOYSA-N 300.289 3.293 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@@H]2N1Cc1c(F)cccc1F 13265217 JQPXURDGBSANFL-DIFFPNOSSA-N 301.340 3.325 0 40 DGAB NC(=S)N1N=C(c2ccc(F)cc2)C[C@@H]1c1cccs1 15830543 MFIIBVJFPXSJJX-GFCCVEGCSA-N 305.403 3.282 0 40 DGAB COc1ccc(Nc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)cc1 16809587 KJJDGJJSOLTVAF-UHFFFAOYSA-N 321.380 3.421 0 40 DGAB COc1cccc(CNC(=O)N(C)Cc2sccc2C)c1 17070039 VSGKPLDPAHUZSF-UHFFFAOYSA-N 304.415 3.407 0 40 DGAB c1ccc(CN(CCN2CCOCC2)Cc2ccccc2)cc1 19364706 FEEPJMLQGPOUQI-UHFFFAOYSA-N 310.441 3.021 0 40 DGAB Cc1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)s2)o1 21188199 OEJWPGKCVNCXIA-QMMMGPOBSA-N 305.808 3.342 0 40 DGAB CCN1CCc2nc(NC(=O)CCc3ccccc3)sc2C1 21295011 CKTCUXLIUNKVQP-UHFFFAOYSA-N 315.442 3.092 0 40 DGAB CC(=O)c1cc(CCC(=O)NCCc2cccc(F)c2)oc1C 24396273 IXKPZCBIOUREBA-UHFFFAOYSA-N 317.360 3.221 0 40 DGAB Cc1nnc(COC(=O)Cc2coc3cc(C)c(C)cc23)o1 24918647 OZCXUBDQYDEZQY-UHFFFAOYSA-N 300.314 3.027 0 40 DGAB C[C@@H](NS(=O)(=O)Cc1ccc(F)cc1)c1ccc(F)cc1 25367247 BGJDDUIKOFJWLH-LLVKDONJSA-N 311.353 3.145 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCO2)C(=O)NCCC1=CCCCC1 28836215 RBSSLGPWRIJBDT-ZDUSSCGKSA-N 316.401 3.222 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@H](C)Cc1ccco1 32434577 DELHBLLUNCFBRG-SNVBAGLBSA-N 313.806 3.151 0 40 DGAB CCCCn1nnc(NCc2cccc(Cl)c2Cl)n1 32617101 UNSJZGFVODNOMU-UHFFFAOYSA-N 300.193 3.392 0 40 DGAB COc1ccccc1-c1cc(C(=O)Nc2ccc(C)cn2)no1 32830291 GUVXBDFLRLXYCD-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB c1ccc(C2=NN(CN3CCOCC3)[C@@H](c3ccccc3)C2)cc1 33393286 CFIQAFPJEXGKLU-HXUWFJFHSA-N 321.424 3.127 0 40 DGAB O=C(/C=C/c1cccs1)NCc1nc(-c2ccccc2)no1 38488843 NLPBJMNPAGYBMY-CMDGGOBGSA-N 311.366 3.128 0 40 DGAB Cc1nnc(NC(=O)NC[C@@H]2CCCc3ccccc32)s1 40103479 RDYFJLQRQXONGA-LBPRGKRZSA-N 302.403 3.088 0 40 DGAB CCCc1noc(CS(=O)(=O)c2ccc3ccccc3c2)n1 47619956 MBTIEWLSPVSFJK-UHFFFAOYSA-N 316.382 3.149 0 40 DGAB CC[C@H](C)NC(=O)Nc1ccccc1N1C[C@@H](C)O[C@H](C)C1 47806601 PEBSXPOKLRQCJH-BFHYXJOUSA-N 305.422 3.220 0 40 DGAB c1ccc(-n2nnnc2CNc2cccc3c2CCCC3)cc1 52875638 YYRWNQCVWRXLQP-UHFFFAOYSA-N 305.385 3.153 0 40 DGAB Cc1cccc(NC(=O)[C@H]2CCCN(CCc3ccccc3)C2)n1 54204365 JBNQPBGAMJEMRU-SFHVURJKSA-N 323.440 3.283 0 40 DGAB CC(C)CCC(=O)NCC1(c2cccc(F)c2)CCOCC1 55451414 UDRWTFNVCPAPFR-UHFFFAOYSA-N 307.409 3.426 0 40 DGAB O=C(c1cc2ccccc2oc1=O)N1CCC[C@H]1c1ccccn1 55514674 RRJHDNMHOWCKAV-INIZCTEOSA-N 320.348 3.165 0 40 DGAB COc1ccc(C[C@@H]2CCCN2C(=O)CC[C@H]2CCCO2)cc1 55613966 UBFPJABHFLLGIA-FUHWJXTLSA-N 317.429 3.188 0 40 DGAB COc1ccc(C(=O)N[C@@H]2CCc3c(F)cccc32)cc1OC 55682098 CONXYJHCBXVYKS-OAHLLOKOSA-N 315.344 3.260 0 40 DGAB O=C(CCc1ccco1)N[C@H](c1ccc(F)cc1)[C@@H]1CCCO1 55943716 RMUVQGKPQONRQH-FUHWJXTLSA-N 317.360 3.388 0 40 DGAB CN(CCc1ccncc1)C(=O)c1ccc(OCC2CC2)cc1 58265918 CLINXKQRCKMORW-UHFFFAOYSA-N 310.397 3.185 0 40 DGAB C[C@@H](CNC(=O)c1nccc2ccccc12)N(C)c1ccccc1 58365488 NYAJXOAIIQDYQN-HNNXBMFYSA-N 319.408 3.490 0 40 DGAB COc1ccccc1/C(C)=C/C(=O)N(C)CCc1ccncc1 66634385 CZOUMGFQDRIHTN-CCEZHUSRSA-N 310.397 3.195 0 40 DGAB O=C(Nc1ccsc1C(=O)Nc1ccccc1)c1cnccn1 67335913 BHIUQCMFOBLHPK-UHFFFAOYSA-N 324.365 3.043 0 40 DGAB CCc1noc(C)c1C(=O)N[C@@H](C)c1nc(-c2ccccc2)c[nH]1 68934808 DBXJMBRESPOHAS-NSHDSACASA-N 324.384 3.427 0 40 DGAB CCOc1ncccc1NC(=O)N[C@H](C)c1nc(C)cs1 69218343 YTPPWTXITLVRBI-SNVBAGLBSA-N 306.391 3.128 0 40 DGAB CC(C)n1[nH]c(=O)c2c1N=C(O)C[C@H]2c1ccc(O)c(Cl)c1 71282866 YSLZGGQZCGOOCO-VIFPVBQESA-N 321.764 3.240 0 40 DGAB O=C(c1ccc(O)cc1)C1CCN(C(=O)c2ccccc2)CC1 71794071 AAJVLIGULPKCJT-UHFFFAOYSA-N 309.365 3.127 0 40 DGAB CCN(CC)C(=O)[C@H](C)Sc1nc(-c2ccc(C)cc2)n[nH]1 71794636 OHGZFMWPKLVNIL-LBPRGKRZSA-N 318.446 3.129 0 40 DGAB Cn1cc([C@H]2CCCN2C(=O)[C@@H]2CCCc3ccccc32)cn1 71796808 NKMRYQFYNOOELS-QZTJIDSGSA-N 309.413 3.204 0 40 DGAB Cc1oc(-c2ccco2)nc1CN1CCC[C@@H]1c1cnn(C)c1 71797161 LBZXHEIWSHAZQY-OAHLLOKOSA-N 312.373 3.314 0 40 DGAB Cn1cc([C@@H]2CCCN2Cc2coc(-c3cccs3)n2)cn1 71797333 HXJJTSYJMYCXOM-AWEZNQCLSA-N 314.414 3.474 0 40 DGAB Cc1ccc(C[S@@](=O)CC(=O)Nc2ccc(C)cc2)cc1 71801205 PBTUFSCGXXGWCQ-NRFANRHFSA-N 301.411 3.191 0 40 DGAB COCCCN(Cc1ccncc1)C(=O)c1ccc(C)c(C)c1 71882988 KAJDNLWZYBBIOG-UHFFFAOYSA-N 312.413 3.377 0 40 DGAB CCOc1ccc(N2N=C(C(=O)O)C[C@H]2c2ccccc2)cc1 71979137 UDVLISXGRVKMFP-KRWDZBQOSA-N 310.353 3.477 0 40 DGAB c1ccc(CN2CCC[C@H]2c2cccnc2N2CCOCC2)cc1 72216212 NEYRVEFZNJBIQE-IBGZPJMESA-N 323.440 3.255 0 40 DGAB Cc1ccc(CNC(=O)c2ccc3[nH]c(C(F)(F)F)nc3c2)o1 72243390 RIXGRFCNKUGQOV-UHFFFAOYSA-N 323.274 3.413 0 40 DGAB O=C(NCc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2 72331480 XDACDSMTKZKWOT-UHFFFAOYSA-N 307.708 3.138 0 40 DGAB Cc1ccc([C@@H]2[C@@H]3COc4ccccc4[C@@H]3Nc3ncnn32)cc1 72333058 WBBQLFAVVJKBNC-BPQIPLTHSA-N 318.380 3.351 0 40 DGAB CN(C)C(=O)c1sc2ncccc2c1C1CCC(CN)CC1 72343475 WLCWLTWVNJARPN-UHFFFAOYSA-N 317.458 3.231 0 40 DGAB COC(=O)C1(Cc2ccccc2-c2cccnc2)CCOCC1 72345719 FNNKZAOSTGFTGW-UHFFFAOYSA-N 311.381 3.261 0 40 DGAB Ic1cccc(-c2nc3ncccc3o2)c1 73638981 UUKMVPWXIVNVAP-UHFFFAOYSA-N 322.105 3.494 0 40 DGAB C[C@@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1cc2ccccc2o1 75093753 ZTLQDGSEPWEFOB-GFCCVEGCSA-N 322.364 3.203 0 40 DGAB Cc1ccc([C@@H]2CSCCN2C(=O)CCc2cccnc2)o1 78934771 IZAOYVBYTFDEIN-HNNXBMFYSA-N 316.426 3.232 0 40 DGAB O=C(NCc1ccc(-c2ccccc2)o1)[C@H]1CCc2cn[nH]c2C1 79670824 LKNQDCCTAVJZEA-AWEZNQCLSA-N 321.380 3.091 0 40 DGAB COc1cc(C)c(CNC[C@H]2CCO[C@@H]2C(C)C)cc1OC 83474061 GVOBEOQOIUIJJN-RDTXWAMCSA-N 307.434 3.163 0 40 DGAB COC(=O)c1cc(Cn2ccnc2-c2ccccn2)c(C)s1 89536667 OKLKGMGDXITWTB-UHFFFAOYSA-N 313.382 3.150 0 40 DGAB CCc1ccc(C(=O)c2ccc(NCc3nccn3C)cc2)o1 95412027 KZHMHGCJSFSOMW-UHFFFAOYSA-N 309.369 3.419 0 40 DGAB FC(F)(F)Oc1c(Br)cccc1C1=NCCO1 95611632 UHVWAHDUNOILPA-UHFFFAOYSA-N 310.069 3.125 0 40 DGAB COc1cc2ccncc2cc1OCc1noc(-c2ccoc2)n1 95939578 XBRLZWOSIRIHNE-UHFFFAOYSA-N 323.308 3.465 0 40 DGAB CC(C)N(C[C@@H]1C[C@H]1C)S(=O)(=O)c1cc(F)cc(F)c1 95961891 LFKJHTDHWIJITB-MNOVXSKESA-N 303.374 3.020 0 40 DGAB COC[C@@H]1COCCC12CCN(Cc1ccccc1C)CC2 96207307 PBQFWBWBBVIBKE-GOSISDBHSA-N 303.446 3.260 0 40 DGAB Cc1c(NC(=O)N[C@H](C)CCO)cccc1OC1CCCC1 96415928 QMHWRDAKOADIOR-GFCCVEGCSA-N 306.406 3.209 0 40 DGAB C[C@@H](NC(=O)[C@H]1CCCOC1)c1ccc(-c2ccncc2)cc1 96444845 GSELMMLKKJPGCS-KDOFPFPSSA-N 310.397 3.352 0 40 DGAB CC(=O)Nc1cccc([C@H](C)NCCN(C(C)C)C2CC2)c1 96477195 PVMAVTYSPVBINC-AWEZNQCLSA-N 303.450 3.168 0 40 DGAB Cn1cc(C2CCN(Cc3cc(F)cc4cccnc34)CC2)cn1 97202996 TWQYJWYMLFMQHP-UHFFFAOYSA-N 324.403 3.487 0 40 DGAB OC[C@H](N[C@H]1CCCSC1)c1ccc(C(F)(F)F)cc1 97371081 CFDTTZDAUOGONI-STQMWFEESA-N 305.365 3.224 0 40 DGAB O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCc2cnccc21 98015814 FIVADSUYRSKZNH-FXAWDEMLSA-N 304.393 3.265 0 40 DGAB COc1ccccc1S[C@@H]1CC(=O)N(c2ccccc2)C1=O 100567134 KVOKSZXGHVKLFX-OAHLLOKOSA-N 313.378 3.119 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](c3nccs3)C2)cc1 114741917 UAEXJTOEJBVPJK-ZDUSSCGKSA-N 322.455 3.020 0 40 DGAB C[C@]12CC[C@@H](O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@]12O 118932105 JBLSYSNVWGGVRJ-UUZKEEIJSA-N 306.446 3.074 0 40 DGAB CS(=O)(=O)Nc1cccc(N[C@@H]2CCCc3occc32)c1 122092870 CWQPRFSFGPXPKW-CQSZACIVSA-N 306.387 3.141 0 40 DGAB O=C(NC[C@]1(O)CCc2ccccc21)c1cc2ccccc2s1 158540550 XKMXFUITMRKGTB-LJQANCHMSA-N 323.417 3.465 0 40 DGAB COc1ccccc1C(=O)NCCOc1ccccc1Cl 159300871 GNKQRFPFLHCZDQ-UHFFFAOYSA-N 305.761 3.157 0 40 DGAB Cc1cnc([C@@H](NCc2nnc(-c3ccco3)o2)C2CC2)s1 185299456 SMVOZWUIJZKZCJ-ZDUSSCGKSA-N 316.386 3.335 0 40 DGAB Fc1ccccc1CN1CCN(C[C@H]2C[C@@H]3C=C[C@@H]2C3)CC1 222327571 MPKNCPVSEPNVPJ-JFIYKMOQSA-N 300.421 3.156 0 40 DGAB CCC(=O)N(CCc1ccccc1)[C@@H](CC)C(=O)N[C@@H](C)CC 222622686 RBWDXVQCQXUZOG-RDJZCZTQSA-N 318.461 3.161 0 40 DGAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3ccncc3)N21 222650176 TZJNSLPGHMPJHY-CWRNSKLLSA-N 310.426 3.456 0 40 DGAB CCCC(=O)N(Cc1ccccc1)[C@H](C)C(=O)NC(C)(C)C 222673442 PBGJGOZCILGHMR-CQSZACIVSA-N 304.434 3.119 0 40 DGAB CCOc1ccc(S(=O)(=O)N(C)Cc2cccc(C)c2)cc1 223716185 KIUJIIKJBPEORC-UHFFFAOYSA-N 319.426 3.214 0 40 DGAB CCOCCCNC(=O)CCc1ccc(Cl)c(Cl)c1 225327501 XWPJBPJBTWCAGB-UHFFFAOYSA-N 304.217 3.469 0 40 DGAB Cc1nc(C)c([C@H](C)N(C)C(=O)c2ccc(C(=O)O)cc2)s1 225458430 BIBUMGUISLAIQB-JTQLQIEISA-N 318.398 3.291 0 40 DGAB CCC[C@](C)(OCC)C(=O)Nc1ccc(OCCN(C)C)cc1 225692395 CBSDXTDAJDQWSQ-SFHVURJKSA-N 322.449 3.161 0 40 DGAB COc1ccc(NC(=S)NCCCc2ccco2)cc1OC 225804579 HVGOFKPEWCZIOT-UHFFFAOYSA-N 320.414 3.216 0 40 DGAB CCOc1ccc(NC(=O)C2(C)COC3(CCCC3)OC2)cc1 225916045 FPDDUCBBKIXCEC-UHFFFAOYSA-N 319.401 3.347 0 40 DGAB O=C(c1ccnc(OCC2CC2)c1)N1CCc2ccccc2C1 244914776 BDPARTQHWCIEKZ-UHFFFAOYSA-N 308.381 3.069 0 40 DGAB C1=C(CN2CCC(c3cnccn3)CC2)COc2ccccc21 257209569 BQWYBQYYSVPPKN-UHFFFAOYSA-N 307.397 3.132 0 40 DGAB Cc1ccc2c(CC(=O)N3CC[C@@H](c4ccn[nH]4)C3)coc2c1 257259920 LAQZGSOFJIKQLN-CYBMUJFWSA-N 309.369 3.023 0 40 DGAB COc1cccc(CC(=O)N2CCC[C@@H]2CCc2ccncc2)c1 257315170 VAFFKSILRLZIAV-GOSISDBHSA-N 324.424 3.257 0 40 DGAB CC(C)N1CCC[C@@H]1c1cccc(N2C(=O)OCC2(C)C)n1 257331984 XVEYIQONISBYBP-CQSZACIVSA-N 303.406 3.362 0 40 DGAB CCc1ccc(NC(=O)N2CCC(C(=O)O)CC2)cc1Cl 263025941 JXQOQCASFYNATD-UHFFFAOYSA-N 310.781 3.231 0 40 DGAB CCCC[C@@H](CC)CNC(=O)C(=O)Nc1ccc(C)c(F)c1 408706647 BRPCTIVSMZTHEG-CYBMUJFWSA-N 308.397 3.405 0 40 DGAB Cc1nnc(CNC(=O)C2(c3ccccc3C)CCCC2)s1 564592415 SNEGBWVCXLKHRX-UHFFFAOYSA-N 315.442 3.283 0 40 DGAB Oc1nncc(N[C@@H]2CCC[C@@H]2Cc2ccccn2)c1Cl 585098951 VOPCZHOGDQMTBL-ZYHUDNBSSA-N 304.781 3.054 0 40 DGAB CCCn1nccc1/C=C/c1ncc(C(=O)O)c(C(C)C)n1 663225526 LJPDAMWELBJTAZ-AATRIKPKSA-N 300.362 3.075 0 40 DGAB CCNC(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953018379 WURLEMVXGOMZEB-GOSISDBHSA-N 314.454 3.216 0 40 DGAB CO[C@@](C)(CNc1ncnc2ncccc12)c1ccccc1F 1775970540 FHWNITQMBRYXMF-KRWDZBQOSA-N 312.348 3.138 0 40 DGAB Cc1ccc(-n2ccn(CC3CCCCC3)c(=O)c2=O)cc1F 1888879473 KECKDSIPCVGYFC-UHFFFAOYSA-N 316.376 3.027 0 40 DGAB Cc1ccc(C(=O)Cn2c3ccccc3n3nc(C)nc23)cc1 268661 SVTJLHGVMXEBMV-UHFFFAOYSA-N 304.353 3.184 0 40 DGAB CCOc1cccc2cc([C@H](C)N[C@H]3CCC(=O)N(C)C3)oc12 97034558 IKAFQMADPHBLLB-JSGCOSHPSA-N 316.401 3.103 0 40 DGAB CCOc1ccccc1/C=C(/NC(=O)C1CCCCC1)C(=O)O 24829391 XFILJVLZNVNROD-NTCAYCPXSA-N 317.385 3.207 0 40 DGAB Cc1ccc(NC(=O)c2sc(-c3ccccn3)nc2C)nc1 12534651 KZXISTWZSZMMEK-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB CCOc1ccc(-c2n[nH]c3c2[C@H](c2ccccc2)NC3=O)cc1 1404745 UBJPEIMHCCEKAW-INIZCTEOSA-N 319.364 3.308 0 40 DGAB CN(C)S(=O)(=O)c1cccc(NCc2ccc(Cl)cc2)c1 35047071 IGQKQGPTMHGZPW-UHFFFAOYSA-N 324.833 3.202 0 40 DGAB Cc1ccc(C)n1-c1c(C(=O)O[C@H]2C[C@H]3CC[C@H]2C3)cnn1C 107493342 CRNVCKKFSDDOMP-DZKIICNBSA-N 313.401 3.173 0 40 DGAB N#Cc1ccccc1CN1C(=O)S/C(=C/c2ccncc2)C1=O 6971828 MDYRIOHGOSHIDJ-OQLLNIDSSA-N 321.361 3.190 0 40 DGAB COC[C@H](C)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 7377047 IEISMOOVDVFOHY-ZDUSSCGKSA-N 311.447 3.048 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCc2ccc(F)cc2)c1C 7975951 RYZHEEDEUARKQS-UHFFFAOYSA-N 301.361 3.446 0 40 DGAB Cc1sc2nc(COC(=O)c3cccs3)[nH]c(=O)c2c1C 8458596 BZUQNSHBLMUCLP-UHFFFAOYSA-N 320.395 3.020 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2cccc(-c3nnco3)c2)c1 27112058 QKJJLFOKYOVIPL-CMDGGOBGSA-N 321.336 3.397 0 40 DGAB O=C(NCc1ccco1)c1ccccc1SC[C@H]1CCCO1 58154738 KDLJFEGAIAWVMW-CQSZACIVSA-N 317.410 3.481 0 40 DGAB CCc1cc(C)cc(OCCN2C(=O)c3ccccc3C2=O)c1 55175209 NSQIKPHQRHARDA-UHFFFAOYSA-N 309.365 3.232 0 40 DGAB C[C@@H](NC(=O)[C@H]1CC=CCC1)c1nc(-c2ccc(F)cc2)no1 58279599 UBLWQGIKFNHNNF-YPMHNXCESA-N 315.348 3.409 0 40 DGAB CC(C)(C)C[C@@H]1CCCN1C(=O)c1ccc(S(C)(=O)=O)cc1 58367950 OOCQSADRVHSAOH-AWEZNQCLSA-N 323.458 3.131 0 40 DGAB COc1ccc(Cl)cc1NC(=O)C(=O)Nc1ccc(C)cc1 9995495 BKSWIPOWCADWID-UHFFFAOYSA-N 318.760 3.234 0 40 DGAB COc1ccc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)cc1 10682981 JNESEFWZOFFQAO-OAHLLOKOSA-N 323.439 3.186 0 40 DGAB Cc1noc(C)c1COc1ccccc1C(=O)NCC1CC1 22972175 YLQSRDXCWZKPLN-UHFFFAOYSA-N 300.358 3.010 0 40 DGAB O=C(CSCCSCC(=O)c1ccco1)c1ccco1 3265500 VNTRTXAUZRIVGU-UHFFFAOYSA-N 310.396 3.405 0 40 DGAB aggregator Cc1ccn([C@H](C)C(=O)Nc2nnc(C3CCCCC3)s2)n1 2782308 DISGISANGGLHIS-LLVKDONJSA-N 319.434 3.290 0 40 DGAB O=C(COC(=O)/C=C/c1ccccc1)NCCC1=CCCCC1 3249776 DNVVMNSQMGGEKM-VAWYXSNFSA-N 313.397 3.250 0 40 DGAB Cc1cc(C)cc(NC(=O)[C@@H](NC(=O)c2ccco2)C(C)C)c1 3293648 FNHHFSCOGVPBNB-INIZCTEOSA-N 314.385 3.290 0 40 DGAB Cc1cn2c(n1)CC[C@H](NC(=O)c1cc3ccccc3s1)C2 97198183 PPSLUYCHGQHZFK-ZDUSSCGKSA-N 311.410 3.151 0 40 DGAB COC[C@@H](C)NC(=O)COc1ccc(Oc2ccccc2)cc1 3379086 RKRNDJROEJMGDQ-CQSZACIVSA-N 315.369 3.009 0 40 DGAB COc1ccc2cc(C(=O)NOCc3ccccc3)c(C)nc2c1 10319493 FRIUEQBXHRPKLV-UHFFFAOYSA-N 322.364 3.413 0 40 DGAB O=C(NCc1ccc(NC(=O)C2CC2)cc1)c1cccc(F)c1 12973465 FMLUOHFGCXDTEJ-UHFFFAOYSA-N 312.344 3.104 0 40 DGAB C[C@H](N)[C@H]1CCCCN1C(=O)c1ccc(C(F)(F)F)cc1 63193306 NCTFUGXKQYIQQV-GXFFZTMASA-N 300.324 3.047 0 40 DGAB COc1ccccc1CNC1CCN(C(=O)OC(C)(C)C)CC1 38876232 IIMDWDHVSNNKIC-UHFFFAOYSA-N 320.433 3.184 0 40 DGAB COc1ccccc1NC(=S)N(Cc1ccccn1)C1CC1 6298559 FZPIUSSPOPZLQY-UHFFFAOYSA-N 313.426 3.452 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@H](C(F)(F)F)C2)s1 4303818 WDPOJQZOBFXIPU-VIFPVBQESA-N 313.366 3.020 0 40 DGAB C[C@H](OC(=O)COc1ccccc1)c1nnc(-c2ccccc2)o1 5281013 VELQKAFYOIYPRX-ZDUSSCGKSA-N 324.336 3.420 0 40 DGAB CC(C)C[C@H](NC(=O)c1cccn1C)c1nc2ccccc2[nH]1 14095570 OGCKHMHKAAYFPD-HNNXBMFYSA-N 310.401 3.419 0 40 DGAB CC(=O)Nc1cccc(NC(=O)c2nc(Cl)sc2C)c1 96224127 MZUXCNYVCFQBPY-UHFFFAOYSA-N 309.778 3.316 0 40 DGAB COC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1Cl 4524359 WJSWQSZWODWGJP-PTNGSMBKSA-N 315.756 3.284 0 40 DGAB O=S(=O)(N[C@@H]1CCCc2ccccc21)c1ccc(Cl)nc1 6581600 WJYMVNOHDGMXJW-CQSZACIVSA-N 322.817 3.091 0 40 DGAB O=C(O)C[C@@H](NC(=O)c1ccc(F)cc1)c1cccc(Cl)c1 4653994 CHEKABFAKPKUDR-CQSZACIVSA-N 321.735 3.425 0 40 DGAB OC1(Cc2cc(Cl)ccc2Br)CCOCC1 309453115 OWEXUESONMUZHJ-UHFFFAOYSA-N 305.599 3.187 0 40 DGAB CCCCOc1ccc(CC(=O)NCCCCCC(=O)O)cc1 4729911 HUEJQWKKPQHFJZ-UHFFFAOYSA-N 321.417 3.169 0 40 DGAB c1ccc(-c2cc(CN3CCC(c4cn[nH]c4)CC3)on2)cc1 97202722 HEEBDQCDIJGHHD-UHFFFAOYSA-N 308.385 3.444 0 40 DGAB O=C1c2ccccc2C(=O)N1CCSCc1ccccc1F 7094024 BHXHXWVQWVIYPM-UHFFFAOYSA-N 315.369 3.355 0 40 DGAB Nc1c(-c2ccccc2)nsc1C(=O)NCCc1ccccc1 67334752 FEMDOTRIBDPSQP-UHFFFAOYSA-N 323.421 3.365 0 40 DGAB CC1(C)Cc2cccc(Oc3cc(-n4ccnc4)ncn3)c2O1 96419410 MKDVSHVTXQBOCR-UHFFFAOYSA-N 308.341 3.168 0 40 DGAB Oc1cccc2c(NC(=S)NC[C@@H]3CCCO3)cccc12 7519904 PDMMMLJWOTZIDJ-NSHDSACASA-N 302.399 3.011 0 40 DGAB Cc1noc(C)c1NC(=O)NCc1ccc(Br)cc1 71883754 VPXWIALLKVHMTO-UHFFFAOYSA-N 324.178 3.376 0 40 DGAB CC(C)[C@H](C)NC(=O)N[C@@H](C)c1nc(-c2ccc(F)cc2)no1 69389771 CREWBBMJYHPACJ-QWRGUYRKSA-N 320.368 3.280 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2cccc3c2OCCCO3)c1 69491640 RXEKBOQGXVCYPN-CABCVRRESA-N 315.417 3.092 0 40 DGAB CC(C)(C(=O)NCc1cn2ccccc2n1)c1ccccc1F 69443168 BDGQCAZLUBEEBX-UHFFFAOYSA-N 311.360 3.067 0 40 DGAB O=C(Nc1cccc(CN2CCCC2)c1)c1cccn2ccnc12 69437379 ZJFHCJZMXTZFQO-UHFFFAOYSA-N 320.396 3.182 0 40 DGAB COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1ccc2cc[nH]c2c1 71924324 HNHMDEAUOXUVTK-DOTOQJQBSA-N 306.365 3.462 0 40 DGAB CCCC(=O)O[C@@H](C)c1nc2ncc(Br)cc2[nH]1 69629437 PUKZHUDNXSSWRC-ZETCQYMHSA-N 312.167 3.125 0 40 DGAB O[C@H](COc1ccc(F)cc1)CN1CC[C@@H](c2ccccc2)C1 69657058 QQCVWKKXEXZSFV-AEFFLSMTSA-N 315.388 3.055 0 40 DGAB CN(C)C(=O)CNc1ccc(OCc2ccco2)c(Cl)c1 69616187 SRBWGHVVIGTHQZ-UHFFFAOYSA-N 308.765 3.012 0 40 DGAB C[C@@H](N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C)C1(C)CC1 91932251 DEHWJUBJLJRMAM-IAQYHMDHSA-N 310.388 3.215 0 40 DGAB CC(C)Cc1nnc([C@H](C)N2CCN(c3ccccc3)CC2)o1 69774793 ZZAHFOIUBCRGKB-HNNXBMFYSA-N 314.433 3.151 0 40 DGAB CCn1cc2ccc(NC(=O)[C@H]3COc4ccccc43)cc2n1 95396633 BSORANQMTAOKHB-HNNXBMFYSA-N 307.353 3.171 0 40 DGAB COc1cccc(CC(=O)Nc2ccc(Cl)c(C(=O)O)c2)c1 18195668 RGOVXQRLMIAJGF-UHFFFAOYSA-N 319.744 3.228 0 40 DGAB Cc1oc(-c2ccco2)nc1COc1cccc(-n2cncn2)c1 72920927 IBDPSNTYCFANRB-UHFFFAOYSA-N 322.324 3.403 0 40 DGAB O=C(COc1ccccc1O)N[C@H]1C[C@@H]1c1cccc(Cl)c1 95430590 RZXJRKVGKBGIPC-KGLIPLIRSA-N 317.772 3.097 0 40 DGAB Cc1oc2ncnc(NCc3noc(C(C)(C)C)n3)c2c1C 97020969 RJIJGTWMUBZHEL-UHFFFAOYSA-N 301.350 3.132 0 40 DGAB CSc1cc(NC(=O)N2CCCC[C@@H]2c2cn[nH]c2)ccn1 95939214 ZFYIGXZWIQZTIR-CYBMUJFWSA-N 317.418 3.286 0 40 DGAB CCOc1ccccc1CNC(=O)COc1cc(C)ccc1C 20456349 LFBUFLGRXZKNEO-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB CC[C@H](C)OCC(=O)Nc1cncc(Br)c1Cl 95980709 FPCVZXCMOVCEMN-ZETCQYMHSA-N 321.602 3.251 0 40 DGAB CC[C@H](C)n1nccc1NC(=O)c1cc(-c2ccccn2)no1 74346921 NHMNJOWOLJKKST-NSHDSACASA-N 311.345 3.156 0 40 DGAB O=C1[C@H](SCc2ccon2)CCCN1Cc1ccccc1 89603862 JHSCDSRDRKICHG-OAHLLOKOSA-N 302.399 3.099 0 40 DGAB CC[C@H](c1ccccc1)N(CC(=O)OC)Cc1nc(C)c(C)o1 89947885 HPHGRDNWRDOJPB-MRXNPFEDSA-N 316.401 3.418 0 40 DGAB Cc1cccc(CN[C@@H]2CCN(C(=O)C(C)C)C[C@@H]2C)c1C 76057613 OYPCQRXTAUCZHO-MAUKXSAKSA-N 302.462 3.286 0 40 DGAB Cc1cccc(NC(=O)[C@@H](C)n2cc(Br)cn2)c1C 28304406 RMWGDWHWQVPNHH-LLVKDONJSA-N 322.206 3.462 0 40 DGAB C[C@H](NC[C@H](C)[S@](C)=O)c1ccc(Br)cc1F 119145015 YBCJOEIPGUGILT-IRWWLHRVSA-N 322.243 3.006 0 40 DGAB CCOC(=O)CSc1nc(C)cc(Oc2ccccc2)n1 28286362 APMPHGNNHDMETA-UHFFFAOYSA-N 304.371 3.233 0 40 DGAB COc1ccc2c(c1)C[C@H]1c3c(cc4c(c3-2)OCO4)CCN1C 1592859 GXFOBPWUVXXUIF-HNNXBMFYSA-N 309.365 3.176 0 40 DGAB biogenic CSc1ccccc1C(=O)N1CCC2(CC1)OCCS2 70637235 LUUNORQNXUBINK-UHFFFAOYSA-N 309.456 3.104 0 40 DGAB CC(C)(C)OC(=O)Nc1ncccc1[C@@H]1CCCCN1C=O 72214410 MYJBSYWDNZLKHG-ZDUSSCGKSA-N 305.378 3.112 0 40 DGAB Cc1ccc([C@H]2CCCCN2Cc2nc(C(=O)O)co2)cc1 563278648 YEDYFVGFTDIETB-OAHLLOKOSA-N 300.358 3.408 0 40 DGAB COc1ccc(CCCNC(=O)Cc2ccccc2F)cc1 79849263 YAGGWWJOSIWYOW-UHFFFAOYSA-N 301.361 3.126 0 40 DGAB CC(C)NC(=O)N(Cc1ccccc1)C[C@H](O)c1cccs1 86991871 VZNDBQGIUJAQQH-HNNXBMFYSA-N 318.442 3.402 0 40 DGAB CC(=O)c1ccc(NC(=O)CSCc2ccncc2)cc1C 89944048 QYAHSVIZRLEXGA-UHFFFAOYSA-N 314.410 3.465 0 40 DGAB COc1cccc(O[C@@H](Cc2cccc(Cl)c2)C(=O)O)c1 225059288 GLKFJIIMNRVNRF-HNNXBMFYSA-N 306.745 3.423 0 40 DGAB O=C(c1ncoc1C1CC1)N1CCn2c(cc3ccccc32)C1 571428535 MXRRSOWPGKEUAA-UHFFFAOYSA-N 307.353 3.163 0 40 DGAB CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C(C)(C)C 224057810 SQBBSUVUAFHTBX-UHFFFAOYSA-N 307.781 3.395 0 40 DGAB C[C@@]1(CCc2ccccc2)CCN(Cc2nc(C(=O)O)co2)C1 577857190 SSSDXIYJXSTAIJ-GOSISDBHSA-N 314.385 3.218 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(Oc3ccccc3)o2)C1 97236053 JXALMRCWDJYRSL-CQSZACIVSA-N 314.385 3.172 0 40 DGAB O=C(OCc1ccccc1)N1CCCC[C@H]1C1CCNCC1 91303110 AGAPVQPPVREENV-KRWDZBQOSA-N 302.418 3.177 0 40 DGAB Cc1cnc(N2CCC3(CC2)C[C@@H](N(C)C)c2ccccc23)nc1 96079194 XVNTZBSHYWDDQQ-GOSISDBHSA-N 322.456 3.330 0 40 DGAB O=S(=O)(CCCc1cn[nH]c1)Cc1cccc2ccccc12 90989186 NSTJIUOSOSRLIM-UHFFFAOYSA-N 314.410 3.111 0 40 DGAB c1cncc(CN2CCN(Cc3ccoc3)Cc3cccnc32)c1 96198941 CCYLOLQOTQJKFV-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB CC/C=C(\C)C(=O)NCc1nc(-c2cccc(Cl)c2)no1 96406361 PCUZDBGOHZQAOS-BJMVGYQFSA-N 305.765 3.363 0 40 DGAB CCN1C(=O)CC[C@@]12CCCN(Cc1ccc(F)cc1)CC2 96047500 WBJJLSPIWNQYGC-GOSISDBHSA-N 304.409 3.193 0 40 DGAB Cc1noc([C@H]2CC[C@@H]3[C@@H](CCN3Cc3ccc(F)cc3)O2)n1 96057518 HFTOFNUXXXQSAF-BZUAXINKSA-N 317.364 3.012 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@@H](C)c2cccnc2)cc1C 96286866 YAVULVLYCCURGN-AWEZNQCLSA-N 304.415 3.046 0 40 DGAB Cc1cccc(CCCNS(=O)(=O)c2ccc(F)c(C)c2)c1 96694527 JRFUDSJUWLYECY-UHFFFAOYSA-N 321.417 3.354 0 40 DGAB O=S(=O)(c1ccccc1N1CCC[C@H](C2CC2)C1)C(F)F 585083416 CENGTTYXRDTDOX-LBPRGKRZSA-N 315.385 3.309 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)CNc1ccc(C)cc1 243225024 KJPQTCYFRZLRML-UHFFFAOYSA-N 312.369 3.222 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257319948 VUSHVTZXPQTKGF-SXSDINLZSA-N 309.413 3.148 0 40 DGAB CN(Cc1ccccc1-c1ccccc1)C(=O)C(C)(C)C(=O)O 565364996 XYBHUJXUYITQCD-UHFFFAOYSA-N 311.381 3.423 0 40 DGAB CN(CCc1ccncc1)C(=O)CCOc1ccccc1Cl 69529410 IACNEASAXBUGGV-UHFFFAOYSA-N 318.804 3.205 0 40 DGAB O=C(Nc1ccc2c(c1)Cc1ccccc1-2)N1CCC[C@H]1CO 78648085 MVCZBDHEWRRIMM-INIZCTEOSA-N 308.381 3.246 0 40 DGAB C[C@@H](C(=O)N1CCCC[C@@H]1c1nccs1)N1CCCCCC1 76042853 WPTAYNUWBKOJFH-LSDHHAIUSA-N 321.490 3.461 0 40 DGAB Cc1cc(NCc2cn3c(C)cccc3n2)ccc1C(=O)N(C)C 78987688 JPHQHLMSIFGUTE-UHFFFAOYSA-N 322.412 3.265 0 40 DGAB COc1ccccc1CCCNC(=O)c1csc(C(C)=O)c1 12192014 RTNTYWMIPTVVGG-UHFFFAOYSA-N 317.410 3.322 0 40 DGAB C/C=C/C=C/C(=O)OCC(=O)Nc1c(CC)cccc1CC 3501340 HALNQAZDSPGDSE-HCFISPQYSA-N 301.386 3.425 0 40 DGAB CC(C)Cc1cc(C(=O)N(CC(F)F)C(C)C)cc(O)n1 152537242 VEDPGUPLYRYCCK-UHFFFAOYSA-N 300.349 3.101 0 40 DGAB Cc1ccccc1OCC(=O)Nc1cccc(/C=C/C(=O)O)c1 226322654 SVHIOVDATIHRQH-MDZDMXLPSA-N 311.337 3.110 0 40 DGAB NC(=O)c1ccc(-c2ccc(Br)c(Cl)c2)o1 226302152 YRYUFKIYINTZAW-UHFFFAOYSA-N 300.539 3.461 0 40 DGAB CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OC(=O)COC(=O)c1ccncc1 3238344 CPOWKFMLLOOHSJ-KBMXLJTQSA-N 319.401 3.242 0 40 DGAB Cc1cc(N2CCC(COc3ccncc3Cl)CC2)ncn1 1889092485 RHEJCBLBHIRSPH-UHFFFAOYSA-N 318.808 3.129 0 40 DGAB CC(=O)NCCOc1ccc(Cl)cc1Cc1ccccc1 15108620 NRULCMDBASJEOC-UHFFFAOYSA-N 303.789 3.446 0 40 DGAB COc1cc(OC)cc(C(=O)N2CCCc3ccc(F)cc32)c1 40117155 ZDRHFHVLTCDARY-UHFFFAOYSA-N 315.344 3.436 0 40 DGAB O=C(NCCOc1cccc(Cl)c1)c1ccc(Cl)nc1 40113469 XMONPXMKSADFRI-UHFFFAOYSA-N 311.168 3.197 0 40 DGAB CCOc1ccc(NC(=O)Cn2nc(C)c(Cl)c2C)cc1 40146481 AFJDEFQMPUGROJ-UHFFFAOYSA-N 307.781 3.191 0 40 DGAB COc1cc([C@H](C)NC(=O)C(C)C)ccc1OCC(F)(F)F 31753096 XKMCGKYHODFLTB-JTQLQIEISA-N 319.323 3.470 0 40 DGAB Cc1nc(-c2ccccc2Cl)sc1C(=O)NCCN(C)C 31867895 LSKQONPEIDWOAR-UHFFFAOYSA-N 323.849 3.063 0 40 DGAB COc1cccc(C(N)=O)c1OCc1csc(C(C)(C)C)n1 40520643 VVNWVLQGVOLXSR-UHFFFAOYSA-N 320.414 3.127 0 40 DGAB COc1ccc2c(c1)c(C(=O)CN1CCCCC1)c(C)n2C 117557 LSAJQMNBVZRDOX-UHFFFAOYSA-N 300.402 3.164 0 40 DGAB Cc1cc(=O)oc(C)c1C(=O)Nc1nc(C(C)(C)C)cs1 32847825 YAWOMQUQWVDLSY-UHFFFAOYSA-N 306.387 3.263 0 40 DGAB O=C(Cc1csc(-c2ccsc2)n1)NCc1ccco1 21703147 FWDXQPJQEMFSON-UHFFFAOYSA-N 304.396 3.324 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)Cc1ccc(C(C)=O)cc1 32915786 MFUPQRNVJWQJHR-CYBMUJFWSA-N 311.381 3.318 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)Nc1ccc(F)cc1Cl 32901313 CAMGBCIHLSMVHW-UHFFFAOYSA-N 314.788 3.360 0 40 DGAB CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccccc1 530938 GUMQOTKFTONCKX-VGOFRKELSA-N 319.341 3.384 0 40 DGAB Cc1nc(CCNC(=O)CCc2c[nH]c3ccccc23)cs1 22527081 NJLVEAQNVLRFII-UHFFFAOYSA-N 313.426 3.224 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)NC[C@@H]3CCCO3)ccc2c1 22620667 IWBRVNVVGSNMEX-UGSOOPFHSA-N 313.397 3.247 0 40 DGAB O=C1CCSc2ccc(C(=O)N3CCc4ccccc43)cc2N1 22737542 FRBDRERTUOMARB-UHFFFAOYSA-N 324.405 3.324 0 40 DGAB O=C(N[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccc2[nH]cnc2c1 23387069 RYZWYNLLSLDPCF-QWRGUYRKSA-N 311.307 3.414 0 40 DGAB Cn1c(SCc2cccc(F)c2)nnc1-c1ccncc1 530023 IDJKSPUTFSBCLR-UHFFFAOYSA-N 300.362 3.309 0 40 DGAB C[C@H]1CCc2c(sc(NC(=O)C3CCCCC3)c2C(N)=O)C1 567828 FPYQCMFEJNVIJT-JTQLQIEISA-N 320.458 3.491 0 40 DGAB COC(=O)COc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1237137 FMLYLZUZFSIAGR-UHFFFAOYSA-N 310.305 3.012 0 40 DGAB biogenic COc1ccc(OC)c(C(=O)CSC(=S)OC(C)C)c1 1743816 SMAVTOCKHKEWIG-UHFFFAOYSA-N 314.428 3.330 0 40 DGAB CCOc1ccc(NC(=O)COC(=O)c2cccc(C)c2)cc1 1943669 FTGDNBXZSGTAPB-UHFFFAOYSA-N 313.353 3.189 0 40 DGAB Cc1cccc(NC(=O)COC(=O)c2cccc(F)c2)c1C 1993442 VJQJUKAXOZRGNP-UHFFFAOYSA-N 301.317 3.238 0 40 DGAB O=C(COC(=O)c1ccccc1Cl)Nc1ccc(F)cc1 1993758 TYAQPCXHNKKTQM-UHFFFAOYSA-N 307.708 3.275 0 40 DGAB O=C(COc1ncnc2sccc12)NCCC1=CCCCC1 2655036 HUIDJWPQFFHRPS-UHFFFAOYSA-N 317.414 3.077 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)c(F)c2)c1 2660469 XCTSWAHNBQVVQB-UHFFFAOYSA-N 307.346 3.138 0 40 DGAB Cc1nn(C)cc1CNC(=O)/C=C/c1ccc(C(C)(C)C)cc1 2761897 XYMPXRXMOJLGDI-DHZHZOJOSA-N 311.429 3.356 0 40 DGAB COc1ccc(-c2noc(-c3ccccc3OC(C)=O)n2)cc1 3123356 UFAUSAAQLALTFD-UHFFFAOYSA-N 310.309 3.338 0 40 DGAB CCOC(=O)c1cc(NC(=O)C(C)(C)C)cc(C(=O)OCC)c1 3336782 KEMSURGWTXKCKQ-UHFFFAOYSA-N 321.373 3.025 0 40 DGAB CC(=O)c1cccc(S(=O)(=O)N2CCCc3ccccc32)c1 3361263 AYLPNLKMEKNBAR-UHFFFAOYSA-N 315.394 3.031 0 40 DGAB CCSc1nnc(NC(=O)COc2ccc(C)cc2C)s1 3565578 GFHXZTCRZPJFKB-UHFFFAOYSA-N 323.443 3.284 0 40 DGAB Cc1nc(S[C@@H](C)C(=O)NC2CCCC2)c2ccccc2n1 4240116 DGYZJFZAEKTXTG-NSHDSACASA-N 315.442 3.478 0 40 DGAB Cc1ccc(OCC(=O)Nc2nnc(SC(C)C)s2)cc1 4723905 UWOZTTIWEQNCAW-UHFFFAOYSA-N 323.443 3.365 0 40 DGAB CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccc2nccnc2c1 4942457 RYXADPOVJWWCAF-INIZCTEOSA-N 322.393 3.389 0 40 DGAB COC(=O)CCC(=O)Nc1cccc(-c2nc3ccccc3o2)c1 4967334 LXDLIQPPPWOPDR-UHFFFAOYSA-N 324.336 3.387 0 40 DGAB C[C@@H](OC(=O)c1c[nH]c2ccccc12)C(=O)NCc1ccccc1 5090646 LSYXCKUHHISOFW-CYBMUJFWSA-N 322.364 3.030 0 40 DGAB O=C(NCCCc1ccccc1)C(=O)Nc1ccc(Cl)cc1 5183950 WCEKOWDWBBARMF-UHFFFAOYSA-N 316.788 3.028 0 40 DGAB COc1ccc([S@@](=O)CC(=O)Nc2ccccc2Cl)cc1 5210844 PDKUTMJEVJFYFG-OAQYLSRUSA-N 323.801 3.095 0 40 DGAB C[C@H](OC(=O)Cc1ccsc1)C(=O)Nc1ccc(F)cc1 5657865 UPYUNXOYLYELIF-JTQLQIEISA-N 307.346 3.000 0 40 DGAB C[C@@H](Sc1nc2ccccc2c(=O)n1C)C(=O)c1ccccc1 6267248 NJVNDLRTNQVIIS-GFCCVEGCSA-N 324.405 3.297 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCOCC1)C1CCCC1 6831594 BXJLZJKIANDVGQ-UHFFFAOYSA-N 308.809 3.305 0 40 DGAB COc1cc(CNCCO)ccc1OCc1ccc(Cl)cc1 6858363 SBJMTYCCHNVXMO-UHFFFAOYSA-N 321.804 3.010 0 40 DGAB COc1cccc(CNC(=O)CCOc2cc(C)ccc2C)c1 6944001 IOMBETWISCXUAU-UHFFFAOYSA-N 313.397 3.397 0 40 DGAB C[C@H](OC(=O)Cc1cccc(F)c1)C(=O)Nc1ccc(F)cc1 7492295 RPLKKBCZTWTFLY-NSHDSACASA-N 319.307 3.078 0 40 DGAB CCn1cnnc1SCC(=O)Nc1ccc(C(C)(C)C)cc1 7867954 BEOFRJGCRPRBQG-UHFFFAOYSA-N 318.446 3.326 0 40 DGAB COc1ccc(CNC(=O)c2ccc3c(c2)CCC3)cc1OC 7889131 IYTRPBQIQTXWPC-UHFFFAOYSA-N 311.381 3.123 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C 8278289 DGKYJKZUFKLCMP-GXFFZTMASA-N 308.809 3.282 0 40 DGAB C[C@@H](O)CNCc1ccccc1OCc1ccc(Cl)cc1 8535107 YFUPVFZRJSUVJV-CYBMUJFWSA-N 305.805 3.389 0 40 DGAB CC1(C)Cc2nc3sc4c(=O)[nH]cnc4c3cc2CS1 8622872 MTBMJKLNIULINY-UHFFFAOYSA-N 303.412 3.101 0 40 DGAB CC(=O)[C@H](Sc1nc2nc(C)cc(C)n2n1)c1ccccc1 8943381 DGSPUTJGBJJXBU-AWEZNQCLSA-N 312.398 3.164 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)Nc2ccccc2F)c1C 9315099 FBGOAQBVGPWTLV-UHFFFAOYSA-N 304.321 3.200 0 40 DGAB O=C(Nc1nc(-c2ccc3c(c2)CCO3)cs1)c1ccncc1 9513687 PEVQSAMITGFMOA-UHFFFAOYSA-N 323.377 3.392 0 40 DGAB CC[C@H](C)Cc1c(C)sc2nc(CN3CCCC3)[nH]c(=O)c12 9584839 LDBZBUBOCCQXMJ-NSHDSACASA-N 319.474 3.477 0 40 DGAB c1ccc(-c2cnc(N3CCOCC3)nc2-c2cccs2)nc1 12251482 ZYJUOAAJBLVJMW-UHFFFAOYSA-N 324.409 3.104 0 40 DGAB Cc1ccccc1C(=O)N1CCC[C@@H](c2nnc3ccccn23)C1 12408535 ZJBGSPYOKZDVOT-OAHLLOKOSA-N 320.396 3.058 0 40 DGAB O=S(=O)(c1ccc(N2CCCCCC2)cc1)C(F)(F)F 12540361 NQZNQHDLYCLQKP-UHFFFAOYSA-N 307.337 3.361 0 40 DGAB Cc1nc(-c2ccc(F)cc2)sc1C(=O)NC[C@@H]1CCCO1 12614469 NGJALTJMLVJLDX-ZDUSSCGKSA-N 320.389 3.166 0 40 DGAB CCC[C@@H](C)NC(=O)COC(=O)c1occc1-c1ccccc1 13013589 RCVDSHGFZGFETJ-CYBMUJFWSA-N 315.369 3.408 0 40 DGAB O=C(Cc1cnn(-c2ccccc2)c1)Nc1cc(F)ccc1F 14898710 DMNAWLREJWDOOC-UHFFFAOYSA-N 313.307 3.332 0 40 DGAB O=C(NC[C@H]1COc2ccccc2O1)Nc1cccc(Cl)c1 16524978 UNZJVNWLBXXQOQ-ZDUSSCGKSA-N 318.760 3.302 0 40 DGAB CCCCNC(=O)c1nc(-c2cnc3ccccc3n2)cs1 16638869 YGXWGCCXEBPNDH-UHFFFAOYSA-N 312.398 3.283 0 40 DGAB Cc1cccc(C(=O)NCC2(c3ccccc3)CCOCC2)c1 16968952 SKVHOZPSAJUABU-UHFFFAOYSA-N 309.409 3.473 0 40 DGAB O=C(NCCc1csc(-c2ccccn2)n1)c1ccccc1 19942250 RXMFBQPARXJPMH-UHFFFAOYSA-N 309.394 3.178 0 40 DGAB Cc1nc2nc3c(cn2n1)C(=O)C[C@@H](c1ccc(C(C)C)cc1)C3 20671691 BLYVSUYGIILPCX-HNNXBMFYSA-N 320.396 3.469 0 40 DGAB Cc1nnc2n1N1C(=CS[C@@H]1c1c[nH]c3ccccc13)S2 20715917 BIPXTLIDEXYXDG-CYBMUJFWSA-N 313.411 3.356 0 40 DGAB C[C@@H]1CCCN(Cc2nc(N)c3c4c(sc3n2)CCCC4)C1 22010053 KWCRWJRVNFIOBF-LLVKDONJSA-N 316.474 3.384 0 40 DGAB COc1ccc2cc([C@H](C)C(=O)Nc3ccn(C)n3)ccc2c1 24474614 RRXCDMYJSKAXLD-LBPRGKRZSA-N 309.369 3.324 0 40 DGAB CC1(C)CN(C(=O)c2csc(-c3cccs3)n2)CCO1 27640003 RCMYSYJGJSWWFE-UHFFFAOYSA-N 308.428 3.123 0 40 DGAB CC(=O)CSc1noc(-c2ccc(Br)cc2)n1 28527328 FMTXYWXFDRPHSD-UHFFFAOYSA-N 313.176 3.180 0 40 DGAB O=C(Nc1nnc(C(F)(F)F)[nH]1)c1cc2ccccc2s1 29389066 YPUNQRYABOBOIA-UHFFFAOYSA-N 312.276 3.291 0 40 DGAB COc1ccc([C@@H](NCc2ccsc2)c2nccn2C)cc1 30651192 QKZIMWYQDJPLLL-MRXNPFEDSA-N 313.426 3.369 0 40 DGAB O=C(Nc1cccc(NC(=O)c2ccoc2)c1)c1ccncc1 32451416 CVGBKLRFMDQXPD-UHFFFAOYSA-N 307.309 3.179 0 40 DGAB CCOc1ccc(Oc2ccc(NCC(=O)NC)cc2)cc1 32753349 PDRTXVVSAKESIJ-UHFFFAOYSA-N 300.358 3.036 0 40 DGAB O=C(NCCCOCC(F)(F)F)Nc1cccc(Cl)c1 32809049 JYOJMWGLHYIEEP-UHFFFAOYSA-N 310.703 3.431 0 40 DGAB COCc1ccc(CNC(=O)c2ccccc2SC)cc1 36391183 YSBQUYJEIUIYTI-UHFFFAOYSA-N 301.411 3.485 0 40 DGAB Cc1cc(Cl)cc2sc(NCCN3CCOCC3)nc12 36657612 MBJAXWDELBTKFJ-UHFFFAOYSA-N 311.838 3.002 0 40 DGAB CC(C)c1ccccc1-n1ccnc1S[C@H]1CCOC1=O 40034721 SFFIYIUMEKHLQS-AWEZNQCLSA-N 302.399 3.403 0 40 DGAB CCOc1ccccc1NC(=O)NCc1cccnc1OCC 40098743 DWGSXFVKDHDGTJ-UHFFFAOYSA-N 315.373 3.201 0 40 DGAB Cc1cccc(C(=O)N[C@@H]2CCC[C@H](OCC(F)(F)F)C2)n1 40510746 IEUDKTMHMJTANL-NEPJUHHUSA-N 316.323 3.010 0 40 DGAB FC(F)(F)c1ccnc(Cl)c1I 40566669 UMJFHWJPAKXBAA-UHFFFAOYSA-N 307.440 3.358 0 40 DGAB COC(=O)c1cccc(NC(=O)[C@@H](C)Oc2ccccc2)c1C 44625168 XKCIPRPMLVYBBO-CYBMUJFWSA-N 313.353 3.188 0 40 DGAB CCN(CC)C(=O)NCCCc1cn(-c2ccccc2)nc1C 47051160 IUNIJDJJMGQTKA-UHFFFAOYSA-N 314.433 3.165 0 40 DGAB O=C(Cc1cn2ccsc2n1)N1CCC[C@H]1c1ccsc1 48234166 OAGMUOGUFVUFRQ-ZDUSSCGKSA-N 317.439 3.364 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)c2oc3ccc(F)cc3c2C)o1 48302094 YCXARWDJCDJIFT-MRVPVSSYSA-N 304.277 3.490 0 40 DGAB C[C@H]1C[C@@H](C)CN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]3C)cc2)C1 48303126 JGYJECHCDULUBN-CYJAXWMASA-N 314.473 3.437 0 40 DGAB Cc1nn(C)c(C)c1/C=C/C(=O)N1CCc2sccc2[C@H]1C 48340055 UXZNBLBFMDDJML-URWSZGRFSA-N 315.442 3.258 0 40 DGAB C[C@@H]1CCCC[C@H]1OCCNCc1c[nH]nc1-c1cccnc1 65458824 IEULIWPVPQGWJI-RHSMWYFYSA-N 314.433 3.157 0 40 DGAB Cc1nc(-c2nc[nH]n2)sc1C(=O)NC1CCCCCCC1 65552027 ILYAZPZDWWKFGU-UHFFFAOYSA-N 319.434 3.079 0 40 DGAB Cc1cccc(C[S@@](=O)[C@@H](C)C(=O)Nc2ccccc2F)c1 66297135 LYAGBOZYQDWDPG-XMHCIUCPSA-N 319.401 3.410 0 40 DGAB Cc1cc(NC(=O)CN2CC[C@H](C)C2)ccc1Br 69378414 MGOHNNLLAGDJIH-JTQLQIEISA-N 311.223 3.038 0 40 DGAB C[S@@](=O)c1cccc(NC(=O)C2(c3ccccc3)CCC2)c1 71893540 WSAGWXWRZCKQCO-QFIPXVFZSA-N 313.422 3.484 0 40 DGAB O=C(CCc1cscn1)N[C@H]1CCC[C@@H]1Oc1ccccc1 71902925 NKDCCHUHLWXSHU-HOTGVXAUSA-N 316.426 3.192 0 40 DGAB O=C(Nc1cnn(CC(F)(F)F)c1)[C@H]1C[C@@H]1c1ccccc1 72243858 IUAYONMOXWSNHB-OLZOCXBDSA-N 309.291 3.188 0 40 DGAB O=C(NCC[C@H](O)c1cccs1)c1cc2ccccc2o1 77113485 ZIKCEJPPTFWFMB-LBPRGKRZSA-N 301.367 3.348 0 40 DGAB c1ccc(-c2cc(CN3CCO[C@H](c4ccco4)C3)n[nH]2)cc1 93841915 VFYPTYHXLUNQRX-SFHVURJKSA-N 309.369 3.243 0 40 DGAB C[C@@H](COc1cccc(F)c1)NC(=O)c1ccncc1Cl 95405196 YAEFAHWMULYBSF-JTQLQIEISA-N 308.740 3.071 0 40 DGAB CC(C)(C)NC(=O)N1CCC(c2nc3c(F)cccc3[nH]2)CC1 95413735 UJPPKHLFRASDEH-UHFFFAOYSA-N 318.396 3.390 0 40 DGAB Fc1ccc2c(c1)[C@H](NC1CCN(c3ccccn3)CC1)CC2 95420310 DKQVAJMIVFDCPA-GOSISDBHSA-N 311.404 3.467 0 40 DGAB CC(C)C(=O)N1CC[C@@H](N[C@@H]2CCSc3ccccc32)C1 95423785 GZXSMGXMEQWMOD-UKRRQHHQSA-N 304.459 3.070 0 40 DGAB C[C@H](Cc1cccs1)C(=O)N1CC[C@H](O)c2ccccc2C1 95467307 KDEYQJMQDALDKW-DYVFJYSZSA-N 315.438 3.393 0 40 DGAB O[C@@H](CCC1OCCCO1)c1cccc(Br)c1 95728411 QTVYVEDNUOLGSZ-LBPRGKRZSA-N 301.180 3.026 0 40 DGAB O=C(O)c1cccc(C(=O)N(CC2CCC2)CC(F)(F)F)c1 95989977 QRLUPJRKPVYHSB-UHFFFAOYSA-N 315.291 3.189 0 40 DGAB Cc1nccc([C@H]2C[C@@H]3CCN(Cc4ccccc4)C[C@H]3O2)n1 96046154 UXUXWXYVQMCOGI-QXAKKESOSA-N 309.413 3.137 0 40 DGAB O=C(Cc1cccs1)NCCc1nc(C(F)(F)F)cs1 96432816 HQPVGKSZYRDRSG-UHFFFAOYSA-N 320.361 3.125 0 40 DGAB CCS[C@H]1CCC[C@H]1NC(=O)c1ccc(NC(C)=O)cc1 96450448 PPLFEXGKSXGKCY-CABCVRRESA-N 306.431 3.049 0 40 DGAB Cc1cc(CNCc2cn(C)nc2-c2cccnc2)ccc1F 97159766 XYERGVOCQKZCFZ-UHFFFAOYSA-N 310.376 3.219 0 40 DGAB Cc1nc2n(c1C)CCN(CCCc1nc3ccccc3o1)C2 97201616 FYCPQIAPGQVYJI-UHFFFAOYSA-N 310.401 3.090 0 40 DGAB O=C(C1[C@H]2CCCC[C@H]12)N1CCN(c2cccc(Cl)c2)CC1 101400817 JRLONIXWGQGIJL-HOTGVXAUSA-N 318.848 3.425 0 40 DGAB CC(C)Cn1[nH]cc/c1=N\C(=O)c1ccc(C(F)(F)F)cc1 101853067 QXHURFVVRHVCSF-DEDYPNTBSA-N 311.307 3.232 0 40 DGAB C[C@@H](OC(=O)[C@@H]1C[C@H]2CC[C@H]1C2)C(=O)Nc1ccc(Cl)cn1 104897638 AHTMGQOZTDQHKR-MPPDQPJWSA-N 322.792 3.041 0 40 DGAB O=C(Cc1ccc(F)cc1)NCCOc1ccccc1Cl 159265007 NNGKXQCLRAUGAY-UHFFFAOYSA-N 307.752 3.217 0 40 DGAB N[C@H](CC(=O)O)Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 224337586 GJIOUDGNHUFMOW-VIFPVBQESA-N 315.213 3.069 0 40 DGAB Cc1cccc(C)c1NC(=O)Cn1ccc(=O)c2ccccc21 225718292 PUBFIQNPNZNTSZ-UHFFFAOYSA-N 306.365 3.257 0 40 DGAB CCCOC(C)(C)C(=O)Nc1ccc(OC)c2ncccc12 225903268 VBRGEIXLBWNZDR-UHFFFAOYSA-N 302.374 3.387 0 40 DGAB NC(=O)c1cc(N)ccc1OCc1ccc(Cl)cc1Cl 226319517 XFTOHQMGBDMFJX-UHFFFAOYSA-N 311.168 3.254 0 40 DGAB Cc1ccc(N2C[C@H](C(=O)N[C@@H]3CCCC[C@H]3C)CC2=O)cc1 243886207 ROSYSCXPUIENSA-BFYDXBDKSA-N 314.429 3.043 0 40 DGAB C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccsc1 252549496 RJKKNJYGGPSMDZ-JCGIZDLHSA-N 316.470 3.034 0 40 DGAB C[C@H](CN1CCCC[C@H]1[C@H]1CNC(=O)C1)c1cccc(Cl)c1 252584824 DATPRJIPIDVAQW-UNEWFSDZSA-N 320.864 3.434 0 40 DGAB Cc1ccsc1C(=O)N1CCC[C@@H]1c1ccnc(N(C)C)c1 257211190 BXVILEOHUSFCOE-CQSZACIVSA-N 315.442 3.495 0 40 DGAB Cc1cncc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257217176 CXVVHOOAHBLPSE-SFHVURJKSA-N 321.424 3.294 0 40 DGAB Cc1nc(-c2ccnn2C(C)C)cc([C@H]2CCN(C(C)C)C2)n1 257283384 OYBFBGRBZKLFCK-HNNXBMFYSA-N 313.449 3.427 0 40 DGAB C[C@H]1[C@H](CCN(C)C)COCCN1Cc1ccccc1Cl 306131339 KCEDBKLLALMCPS-GOEBONIOSA-N 310.869 3.129 0 40 DGAB CC(=O)Nc1ccccc1SCC(=O)Nc1ccccc1 409182838 PBTJZNIKSVOXJD-UHFFFAOYSA-N 300.383 3.376 0 40 DGAB COC[C@H](C)Nc1ccc2c(c1)N(C(=O)Cc1ccccc1)CC2 559347882 SHZNQNCNOGYQDM-HNNXBMFYSA-N 324.424 3.265 0 40 DGAB C[C@]1(Cc2cccc(F)c2)CCCN1C(=O)Nc1ccnnc1 573089434 ILBZTCDYLLPDOH-QGZVFWFLSA-N 314.364 3.245 0 40 DGAB Cc1csc(C(=O)NCC[C@@H](CCO)c2cccs2)c1 575604230 UVHXRGCECLOWGK-LBPRGKRZSA-N 309.456 3.404 0 40 DGAB O=C(Cc1cccs1)N1CC[C@H](n2cnc3ccccc32)C1 575618981 YNGPGRKUMIYTAF-ZDUSSCGKSA-N 311.410 3.114 0 40 DGAB CC1(C(=O)N2C[C@H]3CC[C@H]2[C@@H]2CN(Cc4ccccc4)C[C@H]32)CC1 585091458 ZFISZAHRDBUTJL-MKXGPGLRSA-N 324.468 3.156 0 40 DGAB Cc1cc(N2CCC(c3ncco3)CC2)nc(-c2ccccn2)n1 585092447 XFPAWHNKRLSWLN-UHFFFAOYSA-N 321.384 3.219 0 40 DGAB O[C@H](CN1CCC(c2cccc3[nH]ccc23)CC1)c1ccccn1 1553875006 HKIRBYRSQXFKBF-HXUWFJFHSA-N 321.424 3.476 0 40 DGAB C[C@H](NC(=O)c1cc(N)ccc1N)c1cccc2ccccc12 1857794580 BYZGQXMZFNLNCA-LBPRGKRZSA-N 305.381 3.495 0 40 DGAB Fc1ccc(OC[C@@H]2CCN(Cc3ccc(F)c(F)c3)C2)nc1 1889130578 RVUQLHTVEVYBLG-CYBMUJFWSA-N 322.330 3.400 0 40 DGAB CN1CCN(C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)[C@H](c2ccccc2)C1 105704103 RWIAXTZUBKASRM-WNHJNPCNSA-N 312.457 3.328 0 40 DGAB CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@H]2CCCC[C@H]2C(=O)O)C1 106021413 FZSCVNIWMJTNQQ-HNSFDTNUSA-N 307.434 3.305 0 40 DGAB COC(=O)[C@H](C)Oc1ccc2cc(-c3ccccc3)c(=O)oc2c1 1237146 LSRFOHRYELFZPI-LBPRGKRZSA-N 324.332 3.400 0 40 DGAB biogenic O[C@]1(c2ccccc2)CSC2=Nc3ccccc3[C@H]3CCN1N23 1859331 ZNWIULDAACUKJA-AEFFLSMTSA-N 323.421 3.244 0 40 DGAB CCn1c(SCc2ccc(F)cc2)nc2c(c1=O)SCC2 4339348 GVEBPSTXPSBAOQ-UHFFFAOYSA-N 322.430 3.343 0 40 DGAB CCCC(=O)Nc1ccc(CNC(=O)OCC(F)(F)F)cc1 56323086 VKRZKLILCWBDLW-UHFFFAOYSA-N 318.295 3.214 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2c(F)cccc2Cl)c1 6914294 PLAVYGYEJLGRIT-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CCSc1nnc(CN2CCCC2)n1Cc1ccccc1 57530241 WTUPGTSFDQICFX-UHFFFAOYSA-N 302.447 3.034 0 40 DGAB CN(CCc1ccccc1O)C(=O)c1cc(-c2ccccc2)no1 96010923 ZXYYPAMSHZVHSC-UHFFFAOYSA-N 322.364 3.362 0 40 DGAB Clc1ccc([C@H]2C=C(c3cccs3)Nc3nnnn32)cc1 100760009 GPYOAEHWJKZUEA-GFCCVEGCSA-N 315.789 3.444 0 40 DGAB O=C(c1ccoc1)N1CCN([C@H]2CCCc3ccccc32)CC1 58065224 DKHZEEMCAQENFZ-SFHVURJKSA-N 310.397 3.115 0 40 DGAB Cn1c(CN(C[C@@H]2CCCO2)C2CCCC2)nc2ccccc21 72716235 PIHQZLUJGWPLMT-INIZCTEOSA-N 313.445 3.497 0 40 DGAB O=C(NCCc1ccccc1)c1cnc(-c2ccccc2)nc1 58066218 HYJUBRADUPZZLK-UHFFFAOYSA-N 303.365 3.116 0 40 DGAB O=C(Nc1ccc(F)cc1)c1cn2c3c(cccc3c1=O)CCC2 22235228 CUDYTIHLNSLNRS-UHFFFAOYSA-N 322.339 3.339 0 40 DGAB COc1ccc(S(=O)(=O)N[C@H](c2cccs2)C2CC2)cc1 10682985 JNESEFWZOFFQAO-HNNXBMFYSA-N 323.439 3.186 0 40 DGAB O=C(NCc1ccc(-c2ccc(Cl)cc2)o1)C1=COCCO1 10810928 KTTWDKZBSMJHDW-UHFFFAOYSA-N 319.744 3.104 0 40 DGAB CCCCN(C)C(=O)c1ccc(Cn2nnc3ccccc32)cc1 10892892 YRORVVZEDMUODH-UHFFFAOYSA-N 322.412 3.352 0 40 DGAB CCCCc1ccc(NC(=S)N2CCC[C@H](CO)C2)cc1 2411889 HMXVOMSRSHFEDJ-HNNXBMFYSA-N 306.475 3.430 0 40 DGAB CC1(C)Oc2ccc(NC(=O)Nc3ccccc3)cc2NC1=O 46088377 GLXGKBGKDGYAOC-UHFFFAOYSA-N 311.341 3.440 0 40 DGAB CCOc1ccc(C(=O)Nc2onc3c2C[C@@H](C)CC3)cc1 11914805 UNAIPFGKMHSQGH-NSHDSACASA-N 300.358 3.450 0 40 DGAB Cc1cc(NC(=O)c2ccc(COc3ccc(F)cc3)o2)[nH]n1 47555187 JGUFQOHJXOXYQI-UHFFFAOYSA-N 315.304 3.282 0 40 DGAB Cc1ccc(C(=O)N[C@H](CC(=O)O)c2ccccc2Cl)o1 13173096 DKPKFWXQLUKGDV-GFCCVEGCSA-N 307.733 3.187 0 40 DGAB COc1ccc(C)cc1C(=O)N[C@@H](CC(=O)O)c1cccs1 13389944 CUHZUXLOMBAJQB-LBPRGKRZSA-N 319.382 3.011 0 40 DGAB Cc1ccc2c(COC(=O)c3cccc(O)c3)cc(=O)oc2c1C 5076787 OBTVVCCPKYWXLC-UHFFFAOYSA-N 324.332 3.472 0 40 DGAB C[C@H](C(=O)NCCN(C)C)c1ccc(-c2ccccc2)c(F)c1 9304448 YLVAUBQKOXBQFR-AWEZNQCLSA-N 314.404 3.274 0 40 DGAB Cc1ccc(Nc2nc(N3CCCC3)nc3c2cnn3C)c(C)c1 4272737 CVKBMIWZMXBVDP-UHFFFAOYSA-N 322.416 3.324 0 40 DGAB O=C(Nc1ncccc1OCC1CCCCC1)c1cnccn1 65523503 REZSZRXESAXVOE-UHFFFAOYSA-N 312.373 3.083 0 40 DGAB CN(C)C(=O)CCC[S@](=O)Cc1ccc(Cl)c(Cl)c1 95413673 AFYZAOZONJZRKY-LJQANCHMSA-N 322.257 3.111 0 40 DGAB CC[C@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)O)cc1 20483217 RZDHDGQFPNMQDJ-HNNXBMFYSA-N 313.353 3.489 0 40 DGAB C[C@H](CC(=O)Nc1cc(F)cc(F)c1)NC(=O)c1ccccc1 16305616 LLDJIYBXLRSVBE-LLVKDONJSA-N 318.323 3.112 0 40 DGAB COc1cc(C(=O)Nc2cc(C)ccc2C)cc2c1OCCO2 7910505 WPIVVRFOSFBWDF-UHFFFAOYSA-N 313.353 3.336 0 40 DGAB Cc1ccc(C(=O)OCC(=O)NCc2ccccc2C)cc1C 8155453 ILHQERKRIIFUFJ-UHFFFAOYSA-N 311.381 3.085 0 40 DGAB Cc1[nH]c2ccc(CN[C@@H](C(N)=O)c3ccccc3)cc2c1C 71830915 NMSWRDFVSDJVGK-GOSISDBHSA-N 307.397 3.101 0 40 DGAB Cc1n[nH]cc1CNC(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 69397212 RTHNGMPTIRJHJU-NEPJUHHUSA-N 324.211 3.445 0 40 DGAB CN(CCc1ccncc1)C(=O)Cc1csc(C(C)(C)C)n1 69380647 UMTBWZZCWNSMAS-UHFFFAOYSA-N 317.458 3.079 0 40 DGAB CCN(CC)c1ccc(Nc2nc(C(C)C)cc(=O)[nH]2)cc1 19941897 CWLARWRGVFRQAS-UHFFFAOYSA-N 300.406 3.483 0 40 DGAB N[C@@H]1C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccccc1 72227494 SHUHHFLSHVCXGV-UONOGXRCSA-N 306.287 3.121 0 40 DGAB CCn1c([C@H]2CCCN2C(=O)NC(C)C)nc2ccccc21 69567358 AAUATBIHDVCZOM-OAHLLOKOSA-N 300.406 3.311 0 40 DGAB COc1cccc(NC2CCN(C(=O)c3ccsc3)CC2)c1 71915005 PTQJAKBHUUFHOB-UHFFFAOYSA-N 316.426 3.473 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)[C@@H]2C[C@@H]2c2ccc(C)s2)cc1 69629613 AZYFXVSOHGMMJX-ARFHVFGLSA-N 315.438 3.318 0 40 DGAB O=C(NCC1CCCCC1)[C@H]1CCCN1C(=O)c1cccs1 9613710 VRBFJDQYSQNTHW-CQSZACIVSA-N 320.458 3.049 0 40 DGAB COc1ccc(N(C)C(=O)C[C@@H](C)n2cccc2)cc1OC 69703325 SJEJWXNOTCXEOI-CYBMUJFWSA-N 302.374 3.119 0 40 DGAB Cc1c(NC(=O)N2C[C@H](C)O[C@H](C)C2)cccc1OC(F)F 69892924 BMAMCRUQVWTUAH-AOOOYVTPSA-N 314.332 3.238 0 40 DGAB COc1cc(C(=O)Nc2cc(C)ccn2)cc(Cl)c1OC 9647735 ZLOBNTMGJBHOHD-UHFFFAOYSA-N 306.749 3.313 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(C)c1 8750093 XFTBIUAUSILGEX-CQSZACIVSA-N 306.365 3.449 0 40 DGAB O=C(NCCc1cccc(Cl)c1)[C@@H]1COc2ccccc2C1 70710511 AGANFXLJSIUCPL-HNNXBMFYSA-N 315.800 3.250 0 40 DGAB O=C1OC(c2ccccc2)=N/C1=C/c1ccc(-n2ccnc2)cc1 96840163 KULFYNIZXVZBKJ-SFQUDFHCSA-N 315.332 3.217 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc3[nH]ccc3c2)c2ccccc2N1 72281745 HDBRIUOOADDVGK-AWEZNQCLSA-N 305.337 3.232 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)COC3CCCCC3)C2)n1 72235731 MDRORPVCKWLTQB-INIZCTEOSA-N 319.449 3.013 0 40 DGAB C[C@H](c1ccsc1)N1CCN(C(=O)c2ccsc2)CC1 97143228 FXHXUYXBKJGRRV-GFCCVEGCSA-N 306.456 3.329 0 40 DGAB CCO[C@H](C)C(=O)Nc1ccc(Br)cc1C(C)=O 97107079 LWFFFQVMGWHQHD-SECBINFHSA-N 314.179 3.015 0 40 DGAB CCONC(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 22467799 JHPSQBPRXGYTNC-UHFFFAOYSA-N 321.380 3.280 0 40 DGAB Cc1nn(C)cc1[C@@H](C)NC(=O)c1ccc2[nH]c(=S)oc2c1 74347858 FKTGHASRNUGPCR-MRVPVSSYSA-N 316.386 3.023 0 40 DGAB Cc1ccc2nc(CSc3nnc(NC4CC4)s3)cn2c1 9914583 DNSZHODAFFINTQ-UHFFFAOYSA-N 317.443 3.361 0 40 DGAB O=C(C[C@H]1CCCO1)NCCc1nc(C2CCCCC2)cs1 75610171 UQSOOBNUXAFBQJ-CQSZACIVSA-N 322.474 3.419 0 40 DGAB CCC(=O)Oc1ccccc1/C=C1\N=C(c2ccccc2)OC1=O 409192343 AZZGNFUIZAVVKQ-QINSGFPZSA-N 321.332 3.347 0 40 DGAB Cc1cccc([C@@H]2CCCN2c2ncnc3c2CN(C)CC3)c1 65473936 HFGLMMADULBIHO-SFHVURJKSA-N 308.429 3.114 0 40 DGAB CCn1cc(-c2nnc(SCc3ccc(F)cc3)o2)cn1 28579138 SUUPXGPMUSTHKG-UHFFFAOYSA-N 304.350 3.384 0 40 DGAB CCN(Cc1ccccc1NC(=O)[C@@H]1CC=CCC1)C(C)=O 27369636 FPGPLCFGCYWKDR-OAHLLOKOSA-N 300.402 3.350 0 40 DGAB O=C(COc1ccccc1Cl)N1CCOc2ccccc21 30578171 IPQARJUYKIMROH-UHFFFAOYSA-N 303.745 3.144 0 40 DGAB CC[C@H]1CN(C(=O)CCn2ccnc2)CC[C@H]1c1ccccc1 74283232 POCYRRCFZBVDHY-FUHWJXTLSA-N 311.429 3.316 0 40 DGAB COc1ncccc1C(=O)NC1(c2ccc(F)cc2)CCCC1 72039111 RIDNHBMAHOYAHX-UHFFFAOYSA-N 314.360 3.429 0 40 DGAB Cc1cc(C(=O)N(C[C@H]2CCCO2)c2ccncc2)ccc1F 79310498 LTCHNLLSDQUCKI-MRXNPFEDSA-N 314.360 3.355 0 40 DGAB CCc1n[nH]c(SCc2ccc(N)cc2Br)n1 73639575 SSHUUFQAJPVDNW-UHFFFAOYSA-N 313.224 3.004 0 40 DGAB CO[C@H]1CCN(C(=O)N[C@@H]2C[C@H]2c2ccsc2)CC1(C)C 528283130 MVFMAFKQBVEHFP-MJBXVCDLSA-N 308.447 3.061 0 40 DGAB C[C@H](NC[C@@H]1CCCN1C(=O)OC(C)(C)C)c1ccccn1 72203961 ICKLJMZYXGJZHD-KBPBESRZSA-N 305.422 3.132 0 40 DGAB CC(C)Oc1ccc(CNC(=O)COc2ccccc2F)cc1 45431068 JQVCQKNPWNTTFH-UHFFFAOYSA-N 317.360 3.308 0 40 DGAB CCN(CCCNC(=O)[C@@H]1Cc2ccccc2O1)c1ccccc1 40017234 NKRMDHUTLRLAOT-IBGZPJMESA-N 324.424 3.023 0 40 DGAB CC1(C)CC(=O)Nc2ccc(C(=O)Nc3nccs3)cc21 222282578 JVYSVZWKNNPQSH-UHFFFAOYSA-N 301.371 3.015 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)CCCC2)C(=O)NC[C@@H]1CCCO1 224232325 SNCTZJUEWDEXKJ-ZWKOTPCHSA-N 317.429 3.018 0 40 DGAB CCOc1ccc(-c2noc(CN(C)C(=O)C(C)(C)C)n2)cc1 223247723 YGXXGQTUFCVEIB-UHFFFAOYSA-N 317.389 3.140 0 40 DGAB CCOc1ccc(CNC(=O)c2cccc(OC)c2OC)cc1 225047975 PSJJDYCXAFFCAA-UHFFFAOYSA-N 315.369 3.033 0 40 DGAB CCOC(=O)N1CCC(N[C@H](c2ccc(F)cn2)C(C)C)CC1 195555449 GFEZPQXCNIIYBT-INIZCTEOSA-N 323.412 3.128 0 40 DGAB Cc1ccc(-c2nc(C(=O)NCc3ccccc3C)no2)cc1 96125497 UASZWEDVRZALII-UHFFFAOYSA-N 307.353 3.283 0 40 DGAB COc1cccc(Cl)c1C(=O)NCCc1ccc(O)cc1 96481637 SAKIAANSMBHSCM-UHFFFAOYSA-N 305.761 3.027 0 40 DGAB CC(C)N(C(=O)c1cc(N2CCNC2=O)ccc1Cl)C(C)C 96447899 YEAUNKKJACFLMR-UHFFFAOYSA-N 323.824 3.129 0 40 DGAB CC(C)c1nc([C@H](CO)NC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)cs1 585127376 YUZTULHKFNHGCB-XUXIUFHCSA-N 322.474 3.242 0 40 DGAB C[C@H](c1nc2ccccc2n1C(F)F)N1CCn2nccc2C1 585122524 UGWAZPDKVQNEAB-LLVKDONJSA-N 317.343 3.205 0 40 DGAB Cc1ccc2ccccc2c1Cn1cc(CC2(O)CCC2)nn1 585134284 LNRXEPLHRKGSNB-UHFFFAOYSA-N 307.397 3.246 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)COc3ccccc3)C2)s1 257241577 HYPBXAOYNSOKJB-CQSZACIVSA-N 316.426 3.237 0 40 DGAB Cc1cn(C)c([C@H]2CCCN2C(=O)Cc2ccc(C)s2)n1 257334217 YFBDKPODPHXXEC-CQSZACIVSA-N 303.431 3.005 0 40 DGAB COc1ccc2c(c1)[C@@H](C(=O)N[C@H](C)c1ncc(C)s1)CC2 277682695 OWPUEJYQBAUNAI-RISCZKNCSA-N 316.426 3.367 0 40 DGAB Cc1ccccc1-c1nc(C)c(CNC(=O)c2ncccn2)s1 96343026 GGKXLSYGLRFMBG-UHFFFAOYSA-N 324.409 3.147 0 40 DGAB COCCN1CCC[C@@]2(CCC(=O)N2CC2CCCCC2)CC1 585100825 YCRTWBVHFSDOAQ-LJQANCHMSA-N 322.493 3.060 0 40 DGAB CC(C)N(C(=O)[C@H](C)Sc1ccc(Cl)nn1)C(C)C 73930855 SLSOBAMNSWWSIO-JTQLQIEISA-N 301.843 3.256 0 40 DGAB O=C(O)c1c(I)cccc1C(F)(F)F 16158711 QIWGTWGTMFLVAQ-UHFFFAOYSA-N 316.016 3.008 0 40 DGAB CCOC(=O)N1CCN(c2ccnc3cc(Cl)ccc23)CC1 5717148 XWQZXIDRINXHEZ-UHFFFAOYSA-N 319.792 3.167 0 40 DGAB Cn1cc(CN2CCC[C@@H](c3cc4ccccc4cn3)C2)cn1 12337384 LMAXCHXFKRBXBQ-GOSISDBHSA-N 306.413 3.348 0 40 DGAB COc1ccc2oc(=O)c(C(=O)OC3CCCCC3)cc2c1 5043314 LXUBMXNGFGINFA-UHFFFAOYSA-N 302.326 3.291 0 40 DGAB biogenic CSc1cccc(NC(=O)C(=O)NC2CCCCCC2)c1 10326397 QLOAKKAQQFLNKT-UHFFFAOYSA-N 306.431 3.186 0 40 DGAB O=C(/C=C/c1ccoc1)NCC[C@H](CCO)c1ccsc1 575621372 NUEHVBSOXKMADR-VSZDKKFSSA-N 305.399 3.027 0 40 DGAB c1csc(OC[C@@H]2CCCN(c3nnc(C4CC4)s3)C2)n1 2298183873 JKZQZDCPUJFKRD-SNVBAGLBSA-N 322.459 3.167 0 40 DGAB O=c1[nH]ncc(NCCOc2ccc3ccccc3c2)c1Cl 26708440 XECRBAWJKCDVLF-UHFFFAOYSA-N 315.760 3.067 0 40 DGAB CCOc1ccccc1NC(=O)/C=C/c1ccc2c(c1)OCO2 182357 NJHMRLMTQMDZRH-CSKARUKUSA-N 311.337 3.466 0 40 DGAB CCOC(=O)C1CCN(C(=O)/C=C/c2cccc(Cl)c2)CC1 40459460 CWDSNNNEGKNLQE-VOTSOKGWSA-N 321.804 3.155 0 40 DGAB COc1ccccc1C(=O)OCC(=O)Nc1cccc(C)c1C 130761 TZOKUPAHONBIKX-UHFFFAOYSA-N 313.353 3.108 0 40 DGAB Cc1ccc(-c2csc(NC(=O)c3cnccn3)n2)c(C)c1 204326 GANRESSEAJEWSH-UHFFFAOYSA-N 310.382 3.469 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)Nc1ccc(N2CCOCC2)cc1 102455797 CPPKCRNKOIRQHI-JYJNAYRXSA-N 314.429 3.288 0 40 DGAB COC(=O)c1cc(NC(=O)c2cc3cc(C)ccc3nc2C)c[nH]1 32809642 MBYGQUJCFJWMJP-UHFFFAOYSA-N 323.352 3.219 0 40 DGAB Cc1ccccc1CN1C(=O)N[C@@](C)(c2cccs2)C1=O 53864163 GLYOPTACISBFEY-INIZCTEOSA-N 300.383 3.024 0 40 DGAB CC(=O)N[C@H](CC(=O)NC1CCCCCC1)c1ccc(C)cc1 22875250 CNBGBOQADWJBGR-GOSISDBHSA-N 316.445 3.401 0 40 DGAB CC(C)c1ccc(-c2nc(C(=O)Nc3nc[nH]n3)cs2)cc1 23140751 FYPQRYUNAQTRLB-UHFFFAOYSA-N 313.386 3.304 0 40 DGAB CC(=O)c1ccc(NCC(=O)NCCCc2ccccc2)cc1 24213010 VJGMPFSBEMNBNE-UHFFFAOYSA-N 310.397 3.050 0 40 DGAB O=S(=O)(c1cccs1)N(Cc1ccco1)c1ccccn1 71921554 VGMWNYGPBRVHEX-UHFFFAOYSA-N 320.395 3.132 0 40 DGAB COc1cccc(Cn2c(-c3ccc(Cl)cc3)noc2=O)c1 1332601 HFZAWAGQOAKKFH-UHFFFAOYSA-N 316.744 3.214 0 40 DGAB CCOCCCC(=O)N1CCc2c([nH]c3ccccc23)[C@H]1C 55736632 CGSLGBKBASRVHJ-CYBMUJFWSA-N 300.402 3.430 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)C1(c2ccccc2)CCOCC1 25300945 UIKQWHXQTJKOMK-OAHLLOKOSA-N 313.397 3.075 0 40 DGAB COc1ccccc1OCC(=O)N[C@H](C)c1ccc(F)cc1 3383409 MSAYPWHRMNNTBT-GFCCVEGCSA-N 303.333 3.091 0 40 DGAB CCOc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 25720604 CYALLXGDCLYXEE-HNNXBMFYSA-N 318.442 3.180 0 40 DGAB CCOc1ccccc1/C=C(\Sc1nnc(CC)o1)C(=O)O 7508537 YGZVZISDJIMLIJ-XFXZXTDPSA-N 320.370 3.249 0 40 DGAB Cc1cc(C)cc(N2C[C@H](C(=O)Nc3ccccc3)CC2=O)c1 7882569 JDTZFTIILDYMLZ-OAHLLOKOSA-N 308.381 3.295 0 40 DGAB Cc1[nH]ncc1CCCNC(=O)N1CCC[C@H]1CC(C)(C)C 57774857 YTHOGQAHNKQVHZ-HNNXBMFYSA-N 306.454 3.261 0 40 DGAB COc1ccc([C@H]2CC(c3cc(C)ccc3O)=NC(=N)N2)cc1 8655580 ONQNMOIDZUDAEZ-OAHLLOKOSA-N 309.369 3.168 0 40 DGAB CC1CCN([C@@H](C)CNC(=O)Cc2ccccc2Cl)CC1 58004615 OZEBRUYZKQGBGT-AWEZNQCLSA-N 308.853 3.119 0 40 DGAB c1ccc2sc(N3CCCN(c4nccs4)CC3)nc2c1 58158423 HXLAQJYXEKASDU-UHFFFAOYSA-N 316.455 3.470 0 40 DGAB CCCNC(=S)NC1C[C@H]2CC[C@H](C1)N2Cc1ccccc1 100423367 XTBSJEMNSRKZOS-IAGOWNOFSA-N 317.502 3.056 0 40 DGAB CC(C)c1ccc(NC(=S)NC[C@H]2CCCN(C)C2)cc1 9876439 PXWPPZKJNPQFJZ-CQSZACIVSA-N 305.491 3.438 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)C2=C(Cl)CCCC2)n1 84102195 WPXALZWGKPFUBO-LLVKDONJSA-N 309.841 3.319 0 40 DGAB CCN(Cc1ccc(OC)cc1)C(=O)[C@H]1CCC(=O)C[C@H]1C 97022868 WQJSUFFXIURRMP-DYVFJYSZSA-N 303.402 3.049 0 40 DGAB Cc1nn(C)c2sc(C(=O)Nc3cc(F)ccc3F)cc12 11373279 PPAAVELMCWPKKM-UHFFFAOYSA-N 307.325 3.474 0 40 DGAB CN(C)C(=O)c1cccc(COc2ccc(C(C)(C)O)cc2)c1 97047972 AJAKEYUUXPBNPM-UHFFFAOYSA-N 313.397 3.195 0 40 DGAB COc1cc(C(=O)Nc2nc(C)cs2)ccc1OC(F)F 2797102 XFAPWJFXWWTTIR-UHFFFAOYSA-N 314.313 3.314 0 40 DGAB COc1cccc(CC(=O)Nc2cc(-c3nnco3)ccc2C)c1 47320836 YFVBTTATAJGTSP-UHFFFAOYSA-N 323.352 3.235 0 40 DGAB Cc1cccc(C)c1NC(=O)COC(=O)c1cccnc1Cl 3217267 LJNLHIPRFUJLBM-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB CC(C)(C(=O)O)[C@H](O)c1ccc(OCc2ccccc2)cc1 83255259 GCTLDDCFPJNPJU-MRXNPFEDSA-N 300.354 3.410 0 40 DGAB in-vitro Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NCc1ccco1 48326492 ULDNXLRBNHFZDR-UHFFFAOYSA-N 313.357 3.258 0 40 DGAB CCCc1noc([C@H](C)N2CCN(CCC(C)(C)C)CC2)n1 48313904 GPWZLGWHLBLCEQ-AWEZNQCLSA-N 308.470 3.137 0 40 DGAB CCOc1ccccc1NC(=O)[C@@H](C)N(C)Cc1cscn1 48309297 LLLUXPQGEMEKHK-GFCCVEGCSA-N 319.430 3.001 0 40 DGAB COC(=O)Cc1ccc(NC(=O)C(C)(C)c2ccccc2)cc1 12821504 ZCKAVMJGEGZZHE-UHFFFAOYSA-N 311.381 3.318 0 40 DGAB O=C(COc1cnc2ccccc2n1)NCCC1=CCCCC1 3440741 HGFKJDPWBSUMAB-UHFFFAOYSA-N 311.385 3.015 0 40 DGAB O=S(=O)(c1ccc(Cl)cc1)N(Cc1ccco1)C1CC1 12936766 MBVOSKGHMFCTAX-UHFFFAOYSA-N 311.790 3.286 0 40 DGAB O=C(O)C[C@@H](NC(=O)CCc1ccccc1F)c1cccs1 13389710 NXZTWJOFMNGONS-CYBMUJFWSA-N 321.373 3.152 0 40 DGAB COc1ccc(/C=C/c2nc3ccccc3[nH]c2=O)cc1OC 4248173 JBOAUSHJSLPSDC-VQHVLOKHSA-N 308.337 3.111 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)Nc2ccc(Cl)cc2)c1 9299845 DAZNZLZARHPOJO-UHFFFAOYSA-N 316.788 3.407 0 40 DGAB COCc1cccc(C(=O)Nc2cc(OC)c(OC)cc2C)c1 5279458 ZPYIFRUMTCCGRC-UHFFFAOYSA-N 315.369 3.411 0 40 DGAB NC(=O)CSc1nc(-c2cccs2)c(-c2cccs2)[nH]1 5255700 CIFZKSSOLIFVGR-UHFFFAOYSA-N 321.452 3.444 0 40 DGAB CC1CCN(C(=O)CSc2ncnc3ccsc23)CC1 9385360 MLTNNFAOLNZRNQ-UHFFFAOYSA-N 307.444 3.042 0 40 DGAB COc1ccc2[nH]cc(C(=O)CNc3nc(C)cs3)c2c1 4871444 RQNGOUSHTRNNBP-UHFFFAOYSA-N 301.371 3.236 0 40 DGAB Cc1ccccc1-c1nnn(CC(=O)c2ccc(Cl)s2)n1 7048083 PLGIZDRIIJSXNC-UHFFFAOYSA-N 318.789 3.246 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1ccc(OCc2ccccn2)c(F)c1 96445207 HHOFTCUMIZPAMP-RISCZKNCSA-N 300.333 3.394 0 40 DGAB O=C(N1CCN(c2ccccc2)CC1)C1(c2ccccc2)CCC1 8112523 BJPNKSJLZSFAKZ-UHFFFAOYSA-N 320.436 3.457 0 40 DGAB CC[C@@H](Nc1nnnn1-c1ccccc1)c1ccc(OC)cc1 8204512 RFEISZAELUEPTA-MRXNPFEDSA-N 309.373 3.234 0 40 DGAB Cc1nc(C)c(-c2nnc(SC[C@H]3CCCN(C)C3)o2)s1 69484282 CDBWXZFCWCBVER-NSHDSACASA-N 324.475 3.244 0 40 DGAB C[C@H](C(=O)N1CCC(Cc2ccc(F)cc2)CC1)n1ccnc1 69485485 YDEAHBVYMUPYDB-CQSZACIVSA-N 315.392 3.065 0 40 DGAB CCn1ccc(=O)nc1SCc1ccc(OC(F)F)cc1 69569610 GDZYDSDVUGOQKU-UHFFFAOYSA-N 312.341 3.157 0 40 DGAB CC(C)CNC(=O)Nc1cccc(NC(=O)c2ccoc2)c1 69515314 SDAXVHGWCFGNSL-UHFFFAOYSA-N 301.346 3.309 0 40 DGAB CCc1nc(CNC(=O)COCc2ccccc2Cl)cs1 69631649 HCGWSCYWUOAELZ-UHFFFAOYSA-N 324.833 3.192 0 40 DGAB Cn1cnc2c1CCN(Cc1csc(-c3cccs3)n1)C2 69773653 OZRFMBKGWIXWRP-UHFFFAOYSA-N 316.455 3.163 0 40 DGAB COC(=O)[C@H](CNC(=O)c1sccc1SC)CC(C)C 72295827 ODMVYZOWXRLVTB-JTQLQIEISA-N 315.460 3.035 0 40 DGAB Cc1c(NC(=O)N2CCOC(C)(C)C2)cccc1OC(F)F 69898904 PEIWRSZXPPBQNL-UHFFFAOYSA-N 314.332 3.239 0 40 DGAB O=C(NC1CCCC1)N1CCN(c2ccccc2Cl)CC1 8779871 XTTDDVGPQBSDMX-UHFFFAOYSA-N 307.825 3.114 0 40 DGAB CCC[C@@H]1C[C@@H](C(=O)N(C)Cc2cccc(OC)c2)CCO1 96500010 WTWUEWBGXUSYNV-DOTOQJQBSA-N 305.418 3.249 0 40 DGAB Clc1cc(N[C@H]2CCSC2)ccc1CN1CCOCC1 97108622 APKJIFIUYAQTJJ-AWEZNQCLSA-N 312.866 3.090 0 40 DGAB O=C(CC1CCCCC1)NC[C@H](CO)Cc1ccc(F)cc1 72311518 FCXWRKJAPAIYAK-MRXNPFEDSA-N 307.409 3.063 0 40 DGAB Cc1c(-c2ccccc2O)nc2ncnn2c1-c1ccccc1 72332576 AVJHZDVOTLAZSP-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB CC(=O)Nc1ccc(C)cc1NC(=O)c1ccc(O)cc1F 97232800 YIVGCDGFHXOWRF-UHFFFAOYSA-N 302.305 3.050 0 40 DGAB O=C([C@@H]1CCc2ccccc21)N1CCC[C@H]1c1noc(C2CC2)n1 84581849 YIGHMUYQLGJMAF-CVEARBPZSA-N 323.396 3.341 0 40 DGAB COCc1cccc(NC(=O)c2ccc(OC)c(OC)c2)c1 29144159 XKWMREKCBIERET-UHFFFAOYSA-N 301.342 3.103 0 40 DGAB Cc1cc(C)c(C(=O)N(Cc2ccco2)C[C@@H]2CCCO2)o1 95429533 TXHVTMBHZZUGHK-HNNXBMFYSA-N 303.358 3.311 0 40 DGAB Cc1nnc([C@@H]2Cc3ccccc3CN2C(=O)OC(C)(C)C)o1 95981639 BCWNZMIFYJBPSS-AWEZNQCLSA-N 315.373 3.413 0 40 DGAB Cn1ccc(C(=O)N2CCCCC[C@@H]2C[C@@H](O)c2ccco2)c1 95973185 PLOWNNUOBVLJHY-HZPDHXFCSA-N 316.401 3.127 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H](O)C(F)(F)F 95984160 ZOMMVXOPYHIVGK-SNVBAGLBSA-N 301.230 3.060 0 40 DGAB CC(=O)c1ccc(CNC(=O)Nc2ccccc2F)nc1C 95991227 YDGBQYLIRDNCBB-UHFFFAOYSA-N 301.321 3.053 0 40 DGAB Cc1cc(CNC(=O)Nc2nc3c(s2)COCC3)c(C)s1 89582416 RJEHBOWDNKMHTD-UHFFFAOYSA-N 323.443 3.216 0 40 DGAB CCOc1ccc(CNS(=O)(=O)c2cc(C)ccc2C)cc1 113971104 HSOFYBCLEUXNFP-UHFFFAOYSA-N 319.426 3.181 0 40 DGAB O=C(c1ccc2cnncc2c1)N1CC[C@H](c2ccccc2)C1 408978584 MYYOYOSYJAIEBP-KRWDZBQOSA-N 303.365 3.260 0 40 DGAB Cc1nc(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)co1 72368610 WPOQBMFTIYTICB-HNNXBMFYSA-N 321.380 3.236 0 40 DGAB O=C(NC[C@H]1CCCN1c1ccccc1)c1ccc(F)c(F)c1 211116012 ASNBBLXNOXEJBQ-OAHLLOKOSA-N 316.351 3.364 0 40 DGAB Cc1nc(COc2c(Cl)cccc2Cl)ncc1C(=O)O 217398372 VZJZPUAPUADVGL-UHFFFAOYSA-N 313.140 3.369 0 40 DGAB Cc1ccc([C@@H]2C[C@H](C)CCN2Cc2cc(=O)c(O)co2)o1 76120580 QZROQFRMADJREK-RISCZKNCSA-N 303.358 3.220 0 40 DGAB C[C@@H]1CN(c2ccc(NC(=O)CSC(C)(C)C)cc2)CCO1 76445062 KBSGYIBNNXNUJB-CYBMUJFWSA-N 322.474 3.382 0 40 DGAB C[C@@H](c1ccco1)N(C)C(=O)NCCc1ccc2c(c1)CCO2 79349670 HEPRDGBOGKQLRN-ZDUSSCGKSA-N 314.385 3.160 0 40 DGAB CC(C)c1noc(CCC(=O)N2CCCc3cccc(F)c32)n1 79336432 VFOKDQSYBFQYDW-UHFFFAOYSA-N 317.364 3.244 0 40 DGAB COc1ccc(CNc2ccc(Cl)cn2)cc1NC(C)=O 78656677 LFYBDDSSOQRMCS-UHFFFAOYSA-N 305.765 3.314 0 40 DGAB CCc1ccccc1N1C[C@H](C(=O)Nc2ccccc2)CC1=O 41779414 HNZKEVIMLMFIND-OAHLLOKOSA-N 308.381 3.241 0 40 DGAB COCCNC(=O)c1ccc(Nc2ccc(C)c(C)c2)c(N)c1 225419362 RCGHNNAXJIBTIP-UHFFFAOYSA-N 313.401 3.005 0 40 DGAB O=C(C1CCOCC1)N(CC(F)F)c1cccc(Cl)c1 84804714 YYBFNCDXRSALAW-UHFFFAOYSA-N 303.736 3.365 0 40 DGAB CCN1CCC[C@H]1CNC(=O)c1cccc2c1ccn2C(C)C 95474176 UCZONMSVPMFYQM-HNNXBMFYSA-N 313.445 3.436 0 40 DGAB CO[C@H](CNC(=O)[C@H](C)Oc1ccccc1)c1ccc(C)s1 96385557 VSLJDZNATXXASD-DZGCQCFKSA-N 319.426 3.328 0 40 DGAB CCn1nc(C)cc1C(=O)N[C@@](C)(CC)c1nc(C)cs1 96423341 BYPUSHCKCKRGRY-HNNXBMFYSA-N 306.435 3.032 0 40 DGAB Cn1nc(CNC(=O)/C=C/c2ccccc2Cl)cc1C1CC1 96099320 LGRFIZXUNWQCNA-CMDGGOBGSA-N 315.804 3.281 0 40 DGAB COc1ccc(C)cc1[C@H](C)N[C@H](C(N)=O)c1ccc(F)cc1 69627467 ZKPYPJMWNJMWHJ-SJCJKPOMSA-N 316.376 3.020 0 40 DGAB CCCCN(C(=O)c1ccnc(-n2cncn2)c1)c1ccccc1 54673205 QLSVRXVKDYPGNF-UHFFFAOYSA-N 321.384 3.109 0 40 DGAB Cc1cc(C)n(CC(=O)N2CCCCC[C@@H]2c2ccncc2)n1 49764374 FJFOFGXVKBSZEV-QGZVFWFLSA-N 312.417 3.039 0 40 DGAB Cc1ccsc1/C=C1/NC(=O)N(Cc2ccccc2F)C1=O 202328 OLHNXKUAXCFRBO-MDWZMJQESA-N 316.357 3.289 0 40 DGAB O=S(=O)(Cc1ccc(Cl)cc1)NCCCc1ccccc1 13612099 LKXGMTFCNLXZIT-UHFFFAOYSA-N 323.845 3.392 0 40 DGAB C[C@@H](NC(=S)Nc1ccc2c(c1)OCO2)c1ccccc1 13790682 BMASQZDSDXXVSM-LLVKDONJSA-N 300.383 3.463 0 40 DGAB C[C@@H]1Cc2cc(CN(CCO)Cc3cccs3)ccc2O1 13997574 IOGZJUJPPLVYTQ-CYBMUJFWSA-N 303.427 3.066 0 40 DGAB O=C1N/C(=C/c2ccc(O)cc2)C(=O)N1c1cccc(Cl)c1 18265501 CKGJMMRABLVGPY-RIYZIHGNSA-N 314.728 3.143 0 40 DGAB Cc1nccn1CC1CN(Cc2cccc(Br)c2)C1 1849305827 OMBRFXBTSBSOBU-UHFFFAOYSA-N 320.234 3.086 0 40 DGAB Cc1cccc(NC(=O)CCc2nc3ccccc3c(=O)[nH]2)c1C 3607737 WFVIGTUQHUMAJJ-UHFFFAOYSA-N 321.380 3.111 0 40 DGAB Cc1cnn(CC2CN(c3nc4cc(Cl)ccc4o3)C2)c1 1889148979 JGCVWRPUESIVGF-UHFFFAOYSA-N 302.765 3.123 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccccc2)[C@H](C(=O)O)C1 15445999 UHRXHCZPUWORFZ-UONOGXRCSA-N 305.374 3.112 0 40 DGAB O=C(NCC1(c2ccc(F)cc2)CCOCC1)c1ccsc1 49520830 WUNZLRSOMAHYDP-UHFFFAOYSA-N 319.401 3.365 0 40 DGAB Cc1cccc2sc(NC(=O)[C@H]3CCCC[C@H]3C(=O)O)nc12 12998454 OBONINOXVBAURS-WDEREUQCSA-N 318.398 3.434 0 40 DGAB Cc1ccc(N2CCOC2=O)cc1NC(=O)[C@H]1C[C@H]2C=C[C@H]1C2 101376139 WIXAYLYONJFMAP-YDHLFZDLSA-N 312.369 3.102 0 40 DGAB CC(=O)Nc1ccc(NC(=O)c2cc(F)ccc2F)cc1C 32753754 BDSMLDQRCURPOK-UHFFFAOYSA-N 304.296 3.484 0 40 DGAB O[C@@H](CNC[C@@H](c1ccco1)N1CCCCC1)c1ccccc1 22029968 QKQLDJIRSWQZPF-ROUUACIJSA-N 314.429 3.130 0 40 DGAB COc1ccc([C@@H]2OC(c3ccc(C)cc3)=NN2C(C)=O)cc1 564346 HIXPITUEDZWMHW-SFHVURJKSA-N 310.353 3.243 0 40 DGAB Cc1c(C(=O)N2CCO[C@H]3CCC[C@H]32)oc2c(F)cccc12 53381543 IOIUDSJYQYXTOG-KGLIPLIRSA-N 303.333 3.274 0 40 DGAB Cn1ccnc1SCC(=O)Nc1cccc(Cl)c1Cl 40594 IXVZRGFIIJIJEA-UHFFFAOYSA-N 316.213 3.458 0 40 DGAB [O-][n+]1ccccc1SCc1ccc(-c2ncns2)cc1 165162 GKKWGFUFDXOBBF-UHFFFAOYSA-N 301.396 3.131 0 40 DGAB CCC(=O)Oc1c(C(=O)CC)cc2c(C)cc(=O)oc2c1C 383192 DKRDUEIHHXWBCF-UHFFFAOYSA-N 302.326 3.318 0 40 DGAB Cc1ccc(NC(=O)CN2C[C@@H](c3ccccc3)CC2=O)cc1C 386338 OFTNTXWNPZIJNO-KRWDZBQOSA-N 322.408 3.258 0 40 DGAB COc1cc(NC(=O)c2noc3c2CCC3)c(OC)cc1Cl 426303 WCJZAHCKVCPTMF-UHFFFAOYSA-N 322.748 3.086 0 40 DGAB COc1cccc2c1O[C@]1(C)C[C@H]2NC(=O)N1Cc1ccccc1 427458 GZJZKBOYJCADNT-DNVCBOLYSA-N 324.380 3.460 0 40 DGAB CCOC(=O)Cc1nnc(Nc2cccc(O)c2)c2ccccc12 506966 BCJBTYJQDPBPSJ-UHFFFAOYSA-N 323.352 3.185 0 40 DGAB Cc1cccc(C(=O)NC(=S)N2CCc3ccccc3C2)c1 520243 PLMNCKIJMKXVSM-UHFFFAOYSA-N 310.422 3.068 0 40 DGAB c1coc(-c2nc3nc4ccccc4nc3n2C[C@H]2CCCO2)c1 534611 CJYOGHXSGNXVLB-GFCCVEGCSA-N 320.352 3.419 0 40 DGAB Cc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1 543046 IUYDRJDDDAVLMB-UHFFFAOYSA-N 310.361 3.055 0 40 DGAB Cn1c(S[C@@H]2CCCCC2=O)nnc1-c1ccccc1F 2642324 JBFGWMOZDAJXAU-CYBMUJFWSA-N 305.378 3.225 0 40 DGAB CCCC(=O)Nc1c2c(nn1-c1ccc(F)cc1)CSC2 3008092 FIKZHGALLJVAET-UHFFFAOYSA-N 305.378 3.497 0 40 DGAB O=C(O)C[C@H](NC(=O)Cc1ccccc1)c1ccc(Cl)cc1 3121465 WHDVSHRTSIEYRK-HNNXBMFYSA-N 317.772 3.215 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@H]2CCCC[C@@H]2C)c1C 3316706 XCDHGMPGFJKKFV-BBRMVZONSA-N 303.402 3.155 0 40 DGAB Cc1ccc(NC(=O)COC(=O)/C=C/c2ccccc2)cc1C 3390847 MAKAUPPFGIIBHZ-PKNBQFBNSA-N 309.365 3.499 0 40 DGAB COc1cccc(CNCCO)c1OCc1ccc(Cl)cc1 3644681 JYSCACHDEZUHSN-UHFFFAOYSA-N 321.804 3.010 0 40 DGAB Cc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)cc1Cl 4104123 XRWULCVLPOMGLZ-VYTXNUKWSA-N 301.773 3.350 0 40 DGAB C[C@]1(O)CC[C@@H]2[C@H]3C[C@@H](O)C4=C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@@]21C 4104668 USTXZXQVLIVEIS-BSMGLBNSSA-N 320.473 3.032 0 40 DGAB biogenic,in-vitro CCCN1C(=O)[C@@](O)([C@H](C)C(=O)c2ccccc2)c2ccccc21 4554665 ACVUNIAZKVWVRX-JLTOFOAXSA-N 323.392 3.150 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccc(N3CCOCC3)cc2)c1 4901986 GXLIOCRBYOMDFI-UHFFFAOYSA-N 310.397 3.392 0 40 DGAB CC(=O)C[C@]1(O)C(=O)N(Cc2ccccc2)c2c(C)cc(C)cc21 4988033 CQLUMCNOMHELKQ-HXUWFJFHSA-N 323.392 3.017 0 40 DGAB Cc1cc(C)cc(-c2nnc(SCc3nnc(C)o3)o2)c1 7160388 MZKRYQSTYXCYAA-UHFFFAOYSA-N 302.359 3.337 0 40 DGAB NC(=O)CCSc1nc(-c2cccs2)nc2ccccc12 7203396 LFPIPRXFZLQJTQ-UHFFFAOYSA-N 315.423 3.326 0 40 DGAB CC(=O)N[C@H](CC(=O)Nc1cccc(F)c1)c1ccccc1 7652810 ITIIVACFSNMFGL-MRXNPFEDSA-N 300.333 3.032 0 40 DGAB O=C(CCc1cccnc1)Nc1cccc(Br)c1 7914321 SLFJSLRQCVPLEU-UHFFFAOYSA-N 305.175 3.415 0 40 DGAB COc1ccc(-c2nonc2NC(=O)c2ccccc2C)cc1 8915681 SPWKEQWSWJXBOY-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB C[C@H](NC(=O)CCc1ccccc1O)c1nc2ccccc2[nH]1 9466815 YDJCOVQUZWCKTH-LBPRGKRZSA-N 309.369 3.079 0 40 DGAB Cc1c(C(=O)N(CCC(N)=O)c2ccccc2)oc2ccccc12 9497354 IBDSINRRTMUKOA-UHFFFAOYSA-N 322.364 3.263 0 40 DGAB O=C(NCCCc1nc2ccccc2[nH]1)Nc1ccccc1F 10260985 KUQLMCOQUAILSL-UHFFFAOYSA-N 312.348 3.456 0 40 DGAB Cc1c(C(=O)O)nnn1-c1ccc2noc(-c3ccccc3)c2c1 11730344 PCSVXVXYEVLKQG-UHFFFAOYSA-N 320.308 3.082 0 40 DGAB O=C(O)C1CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1 11767209 QFXRCKGPDHNBLM-UHFFFAOYSA-N 323.392 3.219 0 40 DGAB COc1ccc2c(c1)s/c(=N/C(=O)C1CCCCC1)n2C 12139819 JVIPVADJLYGFAC-WUKNDPDISA-N 304.415 3.256 0 40 DGAB Cc1cccc(C(=O)N[C@@H](C)C(=O)O[C@@H](C)c2ccccc2)c1 12743512 VQNWXGLXSGQUJS-GJZGRUSLSA-N 311.381 3.418 0 40 DGAB NC(=O)c1cc(-c2csc(-c3cccs3)n2)ccc1O 13149879 IGYRPVPFBRNDAW-UHFFFAOYSA-N 302.380 3.343 0 40 DGAB CCCOc1cc(Br)c(/C=C/C(=O)O)cc1OC 13747526 MJIVUSPMVOIUPC-SNAWJCMRSA-N 315.163 3.344 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)Nc1cccc2cccnc12 14136643 ROWWYHZBKJNRNL-UHFFFAOYSA-N 320.348 3.187 0 40 DGAB CN1C(=O)Cc2cc(NC(=O)c3c(F)cccc3Cl)ccc21 16916408 CWZOVNMJRURTHX-UHFFFAOYSA-N 318.735 3.250 0 40 DGAB COc1ccc(C2(CNC(=O)C3CCCC3)CCOCC2)cc1 16969107 ADHVUDFLBAEGKY-UHFFFAOYSA-N 317.429 3.050 0 40 DGAB CCOC(=O)COc1ccc(/C=C(/C)[N+](=O)[O-])c2ccccc12 17119969 QCWITBLXLXGWBQ-BENRWUELSA-N 315.325 3.419 0 40 DGAB COCCN1CN=C(c2ccccc2)N(c2ccc(C)cc2)C1 19960648 KHZKLBWKWNDNKT-UHFFFAOYSA-N 309.413 3.125 0 40 DGAB CCCc1cc(C(=O)N(C)[C@@H](C)c2ccccc2OC)[nH]n1 25112849 RBQWEUPBFATZKG-LBPRGKRZSA-N 301.390 3.204 0 40 DGAB CC[C@H](Oc1ccccc1F)C(=O)NCCc1csc(C)n1 27988720 YTQVXBVWRLKKDU-AWEZNQCLSA-N 322.405 3.107 0 40 DGAB O=C(Nc1ccc(-n2cccn2)cc1)c1ccn(C2CCCC2)n1 28240278 VSXANTUMBJJUGX-UHFFFAOYSA-N 321.384 3.436 0 40 DGAB COC(=O)c1c(CCCOc2ccccc2)cccc1OC 28540914 TWHCMMXGEKRFPN-UHFFFAOYSA-N 300.354 3.493 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)Nc1ccc2oc(=O)[nH]c2c1 29837039 XSTAAWDVKVIZAJ-UHFFFAOYSA-N 321.336 3.174 0 40 DGAB COc1ccc(OC)c(NC(=O)CN(CC(C)C)C(C)C)c1 31581844 LVNFUIPHYMXLPF-UHFFFAOYSA-N 308.422 3.009 0 40 DGAB C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)Nc1nncs1 33244698 HEPAHGNPXKAKOT-ZCFIWIBFSA-N 318.185 3.251 0 40 DGAB Cc1ccc(C)c(-n2nnc3c2SC[C@]3(O)c2ccccc2)c1 35682859 GPOROXGKFUVXDD-SFHVURJKSA-N 323.421 3.226 0 40 DGAB Cc1ccc(/C=C/C(=O)NCc2nc(-c3ccccc3)no2)cc1 44779176 IKNQROOUSVAALH-VAWYXSNFSA-N 319.364 3.375 0 40 DGAB Cc1ccnc(C(=O)c2cccc(I)c2)c1 45028607 HPBKDJBCBAEKGY-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CN(Cc1cccc(Cl)c1)C(=O)c1ccc([S@@](C)=O)cc1 48229709 CJLXKOIPOVRKOU-NRFANRHFSA-N 321.829 3.350 0 40 DGAB CNC(=O)NCc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 53493226 MCCHACMRLUBENH-UHFFFAOYSA-N 324.359 3.107 0 40 DGAB Cc1nonc1NC(=O)C1c2ccccc2Oc2ccccc21 60855138 HSZRJNLTFBWEGK-UHFFFAOYSA-N 307.309 3.254 0 40 DGAB CC[C@H](C(=O)OCC(=O)N(C)c1ccccc1)c1ccccc1 60965034 YAGRHPXTJABWHQ-KRWDZBQOSA-N 311.381 3.386 0 40 DGAB Cc1noc(C2(NC(=O)Cc3ccc(F)cc3)CCCCC2)n1 65257735 NJWDJRJSHRMTEM-UHFFFAOYSA-N 317.364 3.035 0 40 DGAB COc1ccc(Cl)cc1NCC(=O)N(C)c1ccccc1 68824797 CRPRIOFCABDZTK-UHFFFAOYSA-N 304.777 3.424 0 40 DGAB Cc1cnn([C@@H](C)[C@@H](C)NCc2nc(-c3ccsc3)no2)c1 69528920 KFPLDXOTLKRXCA-NEPJUHHUSA-N 317.418 3.042 0 40 DGAB Cc1nccn1CCCC(=O)NC1(c2ccc(Cl)cc2)CC1 69789398 YCEIJXQBUNXQBX-UHFFFAOYSA-N 317.820 3.431 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)[C@@H](C)c2cc(C)oc2C)c1 70010837 YOEOUHUQWGAWQE-HOCLYGCPSA-N 315.417 3.196 0 40 DGAB C[C@H]1C[C@H]1C(=O)Nc1sc(-c2ccccc2)cc1C(N)=O 70755437 ATXZDRAFUYLUMA-GXSJLCMTSA-N 300.383 3.109 0 40 DGAB CC1(C)COCCN1C(=O)c1csc(-c2ccccc2F)n1 71830833 HZZCKCZDSTVYRQ-UHFFFAOYSA-N 320.389 3.200 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCCC[C@H]3Cn3cccn3)cc2c1 71865195 XVAZGUPREOWGGS-INIZCTEOSA-N 322.412 3.368 0 40 DGAB C[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1c[nH]c2ccccc2c1=O 71908584 LJSGVWWXEOHPAY-XIKOKIGWSA-N 318.376 3.191 0 40 DGAB CC(C)(C)OC(=O)Nc1cnn(CCOCc2ccccc2)c1 72209876 MSDRZVLIZIMLRI-UHFFFAOYSA-N 317.389 3.447 0 40 DGAB CC(=O)N1CCCC[C@@H]1c1cnc(N2CCCCC2)c(C)c1 72219195 YOUDUKUJGUDBLU-QGZVFWFLSA-N 301.434 3.454 0 40 DGAB Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCCN2C)c(C)n1C1CC1 72234485 VVSLNTGGXIAZKE-QZTJIDSGSA-N 315.461 3.139 0 40 DGAB O=C([C@H]1Cc2ccccc2O1)N1CCCC[C@H]1c1nccs1 72272083 PKOYOTWUZRCFLW-DZGCQCFKSA-N 314.410 3.200 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1cccc2nccnc12 72314680 MOUCRWGVBZIULQ-INIZCTEOSA-N 322.393 3.389 0 40 DGAB COc1cccc(CN(C)C(=O)c2cnc(C)nc2C(C)C)c1 75138867 YNGNARCOHRVQNA-UHFFFAOYSA-N 313.401 3.189 0 40 DGAB CS(=O)(=O)[C@H]1CCC[C@@H](Nc2ccc3ccc(F)cc3n2)C1 78301227 KIQOUZBBJCWVOC-KGLIPLIRSA-N 322.405 3.142 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1F)c1cccnc1 79042895 KUWUKAODKYHJID-VQISRLSMSA-N 302.324 3.341 0 40 DGAB C[C@H](c1ccco1)N(C)C(=O)NCCc1ccc2c(c1)CCO2 79349680 HEPRDGBOGKQLRN-CYBMUJFWSA-N 314.385 3.160 0 40 DGAB Cc1nc(C2CCCC2)sc1C(=O)N[C@@H](CO)CC(C)C 89559323 CZTDDDQYYZNWTJ-CYBMUJFWSA-N 310.463 3.246 0 40 DGAB O=C(c1cccnc1OCC(F)F)N1CCC[C@H]2CCC[C@H]21 89816325 OGRLWRXIBBFVFM-DGCLKSJQSA-N 310.344 3.130 0 40 DGAB O=C(NCC[C@H](O)c1ccoc1)NCc1cccc2ccccc12 90613368 LDEGNCSOCUQPAQ-SFHVURJKSA-N 324.380 3.356 0 40 DGAB COc1cc(F)c(NCc2nc3ccccc3n2C)cc1OC 95448778 JIPQKYQTQBMTHQ-UHFFFAOYSA-N 315.348 3.342 0 40 DGAB CC[C@@H](N)C(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 95466883 LZSYJUBSSDPRNL-CQSZACIVSA-N 312.866 3.160 0 40 DGAB Cc1cc(C)nc(NCCNc2ncccc2C(F)(F)F)n1 95951838 OXAAHVZFSOAAEZ-UHFFFAOYSA-N 311.311 3.031 0 40 DGAB Cc1noc(C)c1[C@H](C)CNC(=O)N[C@@H]1CC(C)(C)OC1(C)C 95995131 YMEWGJYFJJDKOT-ZWNOBZJWSA-N 323.437 3.040 0 40 DGAB CC[C@H](NC(=O)N[C@@H]1CC(C)(C)OC1(C)C)c1ccncc1 95995203 KRTRUOOFQRWOKR-UONOGXRCSA-N 305.422 3.178 0 40 DGAB c1cc(-c2ccc3c(c2)OCCCO3)n2nc(C3CCC3)nc2n1 96345330 ZZAWLMMFACNCBK-UHFFFAOYSA-N 322.368 3.220 0 40 DGAB Cc1c(NC(=O)N(C)Cc2cnccn2)cccc1OC(F)F 96410627 WHZCXPVCLBPYAY-UHFFFAOYSA-N 322.315 3.050 0 40 DGAB CCS[C@H]1CCC[C@H](NC(=O)CSc2ccncc2)C1 96451426 CHVVYYCDYDBPAK-JSGCOSHPSA-N 310.488 3.354 0 40 DGAB C[C@@H]1CN(C)c2ccccc2CN1C(=O)CCCc1ccccn1 96459150 MVBJIRDZWBMTFP-MRXNPFEDSA-N 323.440 3.271 0 40 DGAB COC[C@H](NC(=O)Nc1cc(OC)ccc1C)c1ccco1 96468770 TUGVKZACIFPVLM-AWEZNQCLSA-N 304.346 3.106 0 40 DGAB O=C(O)C[C@H](NC(=O)c1ccc(Cl)o1)c1ccc(F)cc1 96999815 QQUDTHVWRIFMNR-JTQLQIEISA-N 311.696 3.018 0 40 DGAB O=C(Nc1cccc(CNc2ncc(Cl)cn2)c1)NC1CC1 97011528 FHFVEEWHMGZJNW-UHFFFAOYSA-N 317.780 3.026 0 40 DGAB O=C1CCCN1CC[C@H]1CN(Cc2ccco2)c2ccccc21 97057711 AIPWCUNHZKZEPA-HNNXBMFYSA-N 310.397 3.396 0 40 DGAB CCc1nnc([C@@H](C)N(C)Cc2c(C)nc3sc(C)cn23)o1 97086161 OKAIPOOBRBZIJQ-LLVKDONJSA-N 319.434 3.151 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)n1 97142704 NCMFIKBPIKZPNI-AWEZNQCLSA-N 313.405 3.109 0 40 DGAB O=c1[nH]c(-c2ccoc2)nc2cc(F)c(Br)cc12 97371585 QMQSEFDABHKEMQ-UHFFFAOYSA-N 309.094 3.085 0 40 DGAB CCOC(=O)c1cnc2c(F)ccc(C(F)(F)F)c2c1O 103289231 NVQWRKYDQBXIKP-UHFFFAOYSA-N 303.211 3.275 0 40 DGAB CN1CC[C@H](CNC(=O)c2cc(Cl)cc(C(F)(F)F)c2)C1 123329614 BGAKGAYVBRNEFT-SECBINFHSA-N 320.742 3.040 0 40 DGAB CCC(=O)N(Cc1cccc(C)c1)[C@@H](CC)C(=O)NC(C)C 222455901 LYCFTPYIKRCSGC-INIZCTEOSA-N 304.434 3.037 0 40 DGAB CCCNC(=S)Nc1ccc(N2C[C@H](C)C[C@@H](C)C2)nc1 223871583 ZOLWNDYMRQPNPG-CHWSQXEVSA-N 306.479 3.260 0 40 DGAB CC1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2)CC1 224057487 PXJLERMULSJSCQ-UHFFFAOYSA-N 303.793 3.398 0 40 DGAB CC1CCN(C(=O)c2snnc2-c2ccc(F)cc2)CC1 225780649 VMRJEFZBIZMLHM-UHFFFAOYSA-N 305.378 3.216 0 40 DGAB CC(C)(Cc1ccccc1)NC(=O)COc1ccccc1F 225860024 BFSPYYDJWWTAED-UHFFFAOYSA-N 301.361 3.342 0 40 DGAB COc1cccc(N(C)S(=O)(=O)c2cc(C)ccc2C)c1 225927399 FSPFUXDDLPUCBG-UHFFFAOYSA-N 305.399 3.137 0 40 DGAB CCOC(=O)c1cnc(-c2cccc(N)c2)nc1N[C@@H](C)CC 226103766 BFXIJLZCFLRHNI-NSHDSACASA-N 314.389 3.113 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCN(c2cccc(C=O)c2)C1 228909579 BBPYPVDCLCMNJM-HNNXBMFYSA-N 318.417 3.240 0 40 DGAB CC1=CCC[C@H](C)[C@@H]1CN1CCC([C@@H](O)c2nccn2C)CC1 249038583 CRSBVLHKAIZWOD-CGTJXYLNSA-N 317.477 3.158 0 40 DGAB C[C@H](C(=O)NC[C@@H]1[C@H]2CCc3ccccc3[C@H]21)C1CCOCC1 253370370 PZOKKCOIZUAGEK-JGNHQEBTSA-N 313.441 3.141 0 40 DGAB c1cc2nccc(C[C@@H]3CCCN(Cc4c[nH]cn4)CC3)c2cn1 257284328 PCGAVQKMWGZVQD-OAHLLOKOSA-N 321.428 3.198 0 40 DGAB c1ccc(-n2cc(-c3ncccc3N3CCCCC3)cn2)nc1 629755778 AXUDDUNGFWOXDR-UHFFFAOYSA-N 305.385 3.320 0 40 DGAB Cc1ccnc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)n1 853802514 YNTZRZHPUAABEA-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB Cn1cc(C(=O)N2[C@H]3CC[C@H]2CC(=C2CC2)C3)c(C(F)F)n1 1776009458 NHOZVPZYQMXZEP-RYUDHWBXSA-N 307.344 3.215 0 40 DGAB Cn1nccc1-c1ccc(CNC(=O)c2ccccc2Cl)o1 1888891073 YOPWKLLJRVRRJQ-UHFFFAOYSA-N 315.760 3.264 0 40 DGAB O=C(Cn1c(=O)sc2ccccc21)Nc1ccc(Cl)cc1 92141 FUULZPPWQHGIRQ-UHFFFAOYSA-N 318.785 3.355 0 40 DGAB Cc1ccc(CN2CCC(C(=O)NCCC(C)C)CC2)cc1 299304 XOQQQIHUJQBIIT-UHFFFAOYSA-N 302.462 3.369 0 40 DGAB COC(=O)N1C2c3ccccc3C(c3ccccc32)N1C(=O)OC 1600626 CYYIRSKTFBSVBB-UHFFFAOYSA-N 324.336 3.244 0 40 DGAB O=C1NC(=O)[C@](c2ccccc2)(c2ccc(Cl)cc2Cl)N1 1682842 AJJZPKHCVNIAJX-HNNXBMFYSA-N 321.163 3.076 0 40 DGAB CC(C)OC(=O)[C@H](C)Sc1nnc2ccc3ccccc3n12 1924208 LRECQBVRACTCBM-NSHDSACASA-N 315.398 3.315 0 40 DGAB CC(=O)Nc1ccc(OCC(=O)Nc2cc(C)cc(C)c2)cc1 3447443 CLKULWVKGDQJCQ-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB Cc1cc(C(=O)OCc2nnc(-c3cccs3)o2)c(C)o1 3535900 PNALCIKCQCLMBS-UHFFFAOYSA-N 304.327 3.365 0 40 DGAB O=C(O)CCCC(=O)Nc1cccc(CCc2ccccn2)c1 4708832 ASCXZXAAARXINW-UHFFFAOYSA-N 312.369 3.060 0 40 DGAB CCCC(=O)NCc1nc(-c2ccc(C(C)(C)C)cc2)no1 4998186 WPNLPJKUKDFRJW-UHFFFAOYSA-N 301.390 3.450 0 40 DGAB CCC[C@H](C)NC(=O)[C@@H]1CC(=O)N(c2ccc(C)c(Cl)c2)C1 4998719 QLDJBDMRBDREAL-QWHCGFSZSA-N 322.836 3.306 0 40 DGAB Cc1c(C)c(C)c(S(=O)(=O)NCc2cccnc2)c(C)c1C 5587130 HILZBKZIOPOHKU-UHFFFAOYSA-N 318.442 3.102 0 40 DGAB CSc1nnc(NC(=O)CSCc2ccccc2)s1 7345244 WLLWKBDBSMJNGY-UHFFFAOYSA-N 311.457 3.132 0 40 DGAB COc1c(Cl)cc(Cl)cc1CNn1c(C)n[nH]c1=S 7541606 CULSZECPYDISDP-UHFFFAOYSA-N 319.217 3.308 0 40 DGAB O=C(CCC1CCCC1)NCCc1ccc2c(c1)OCCO2 8037033 WBHIPCLGZJFIKX-UHFFFAOYSA-N 303.402 3.087 0 40 DGAB Cc1cc(C(=O)Nc2cc(C(=O)O)ccc2Cl)c(C)n1C 8051962 PPXCBSQZVJEXHO-UHFFFAOYSA-N 306.749 3.246 0 40 DGAB O=C(NC[C@@H](c1ccco1)N1CCCC1)c1ccc2c(c1)CCC2 8131801 AUHOFXYSZWMCRT-SFHVURJKSA-N 324.424 3.335 0 40 DGAB O=C(CCn1ccc2ccccc21)NCc1ccc(C(=O)O)cc1 8156839 PSAWQSBKMARACC-UHFFFAOYSA-N 322.364 3.046 0 40 DGAB biogenic O=C(Cn1nc(Cl)nc1Cl)Nc1ccc2ccccc2c1 8296701 YGYIUMKOFQXIIT-UHFFFAOYSA-N 321.167 3.377 0 40 DGAB Cc1cc(NC(=O)[C@H](C)N2CC=C(c3ccccc3)CC2)no1 8377868 VCORARHFICTBCR-AWEZNQCLSA-N 311.385 3.099 0 40 DGAB CC[C@H](Oc1ccccc1OC)C(=O)Nc1cccc(OC)c1 8493545 ZECMYYLWEMPQKY-HNNXBMFYSA-N 315.369 3.500 0 40 DGAB c1nc(Nc2ccc(N3CCOCC3)cc2)c2sccc2n1 8726203 ADSUXCJGKDJWJJ-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB C=C1c2ccccc2C(=O)N1CCC(=O)Nc1cccc(OC)c1 8728925 NXYNKSBXCHLFJP-UHFFFAOYSA-N 322.364 3.151 0 40 DGAB CCOc1c(Br)cc(Br)cc1CO 8734296 BUQCDKXCJRBBJZ-UHFFFAOYSA-N 309.985 3.103 0 40 DGAB C[C@H](OC(=O)c1ccccc1O)C(=O)Nc1ccccc1Cl 9752051 VDLNJZUDRZTDQX-JTQLQIEISA-N 319.744 3.230 0 40 DGAB COc1ccc2c(c1)CCCN2C(=O)c1cccc(N(C)C)c1 10541953 QHTMQKYWXQKQLV-UHFFFAOYSA-N 310.397 3.354 0 40 DGAB Cc1ccc(CCC(=O)NCc2ccc(C(=O)O)cc2)c(C)c1 13461850 QFUMZYULKCZIKV-UHFFFAOYSA-N 311.381 3.251 0 40 DGAB Nc1nc(O)nc(Nc2ccc(Cl)c(Cl)c2)c1N=O 17823682 ACZWXTVOAORTTK-UHFFFAOYSA-N 300.105 3.213 0 40 DGAB C[C@H]1CN(Cc2c(-c3ccco3)[nH]c3ncccc23)C[C@H](C)O1 19497545 OGNCMPWFHKCOSE-STQMWFEESA-N 311.385 3.432 0 40 DGAB Clc1ccc(-c2[nH]ncc2CN2CCOCC2)c(Cl)c1 19722506 DNOMITZMMGHBHQ-UHFFFAOYSA-N 312.200 3.216 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(Cl)c(N)c1 19736489 XUEWQBCUYPFHMB-JTQLQIEISA-N 320.776 3.337 0 40 DGAB Cc1ccc(CN2C(=O)CN=C2Nc2ccc(Cl)cc2)cc1 20143096 BTJXDNFXPGLLET-UHFFFAOYSA-N 313.788 3.459 0 40 DGAB O=C(COc1ccccc1)Nc1ccc(-c2ccc(CO)o2)cc1 20143733 LAVNLPKTBFMRMQ-UHFFFAOYSA-N 323.348 3.456 0 40 DGAB O=C(Cc1csc(-c2cccs2)n1)Nc1ccccn1 21893981 KFAXMTIWJGMYKQ-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CCC(=O)N(CCn1cccn1)c1nc2ccc(F)cc2s1 22603676 RJBFDZGCCIHYIB-UHFFFAOYSA-N 318.377 3.075 0 40 DGAB C[C@H](NC(=O)c1cn(C)c2ccccc2c1=O)c1ccc(F)cc1 22605998 QWFYQTFDYOWYKR-LBPRGKRZSA-N 324.355 3.169 0 40 DGAB CSCC(=O)Nc1ccc(N2CCc3sccc3C2)nc1 23190791 ZVMFQJRTCOVRPD-UHFFFAOYSA-N 319.455 3.007 0 40 DGAB C[C@@H]1c2cccn2CCN1C(=O)c1cc(-c2ccccc2)[nH]n1 29380459 VHUWBYJDTMTTJW-CYBMUJFWSA-N 306.369 3.095 0 40 DGAB O=C(c1cccnc1)N1CCC[C@@H]1c1ccc2c(c1)OCCCO2 29797562 DTKHCSPIBWJLHH-MRXNPFEDSA-N 324.380 3.220 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1ccc(CC(=O)N2CCCC2)cc1 32000530 PMBDZRJAHYDHDB-HNNXBMFYSA-N 312.413 3.146 0 40 DGAB COc1ccc(CC(=O)Oc2ccc(C)cc2OC)c(OC)c1 32531495 QWLZSQHDNPTERR-UHFFFAOYSA-N 316.353 3.169 0 40 DGAB Cc1noc(C)c1CC(=O)Nc1ccnn1C1CCCCC1 32719040 DIOXQHACQDUYNG-UHFFFAOYSA-N 302.378 3.174 0 40 DGAB Cc1ccc2nc(NC(=O)CCn3nc(C)cc3C)sc2c1 32888475 YUVHDTKBSCRQBA-UHFFFAOYSA-N 314.414 3.447 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)c2cc(C)c(CC)s2)C1 35161067 LIBLDQVCYZMRAB-GFCCVEGCSA-N 309.431 3.034 0 40 DGAB Cc1cc(C(=O)N[C@@H](C)c2ccc(Br)cc2)on1 37115242 WWHCHWWZAODAAW-VIFPVBQESA-N 309.163 3.237 0 40 DGAB COc1ccc(CCNC(=O)c2cc3sccc3n2C)cc1 40786198 WZOJWNCVBSMOAL-UHFFFAOYSA-N 314.410 3.221 0 40 DGAB C[C@H](Cn1ccnc1)NC(=O)c1cc(C2CC2)nc2ccccc12 47265066 COPKNOQBFXSBRV-CYBMUJFWSA-N 320.396 3.127 0 40 DGAB Cc1noc([C@H]2CCCN(C(=O)c3cc(C)sc3C)C2)n1 54121448 HHDRDPNVWVSDDJ-LBPRGKRZSA-N 305.403 3.076 0 40 DGAB C[C@H]1C[C@H]1c1ccc(CN(C)Cc2nc3ccccc3c(=O)[nH]2)o1 56665456 IPAYKMAMYQODLP-SWLSCSKDSA-N 323.396 3.272 0 40 DGAB COc1cc(OC)c2[nH]c(C(=O)Nc3ccc(C)cn3)cc2c1 58166712 UKDSSESQTOFGRS-UHFFFAOYSA-N 311.341 3.141 0 40 DGAB CCC[C@H](C)N(C)C(=O)Nc1cc(C(=O)N(C)C)ccc1C 58330942 HHHSXVJHLPRTJH-ZDUSSCGKSA-N 305.422 3.349 0 40 DGAB COc1ccc(N(C(=O)c2ccnc(C)n2)[C@@H](C)C2CC2)cc1 65529922 WJAWTLJXZFTSJM-LBPRGKRZSA-N 311.385 3.239 0 40 DGAB Cc1ccccc1C(=O)Nc1ccn(CCc2ccncc2)n1 69421118 IEGMMAHQKZLALJ-UHFFFAOYSA-N 306.369 3.082 0 40 DGAB CCc1noc(CN(C)Cc2ccccc2Br)n1 69442972 HCUJZVUUXVMNCC-UHFFFAOYSA-N 310.195 3.027 0 40 DGAB CCOc1ccc(CCC(=O)N(C)CCc2ccncc2)cc1 69453492 WOBXGYKZXUCMOB-UHFFFAOYSA-N 312.413 3.114 0 40 DGAB O=C(c1cccc(Cl)c1)N1CCC(Nc2cccnc2)CC1 69569784 OHQODSHZLVUULI-UHFFFAOYSA-N 315.804 3.452 0 40 DGAB O[C@H]1CCCC[C@@H]1NCc1ccc(OCc2ccccn2)cc1 69870427 PXOWSMUWMGVLCG-OALUTQOASA-N 312.413 3.054 0 40 DGAB O=C(O)CC1(CNC(=O)OCc2ccccc2)CCCCC1 70113548 GTIZSSHTRBTTFV-UHFFFAOYSA-N 305.374 3.338 0 40 DGAB in-vitro COc1ccc(C[C@@H]2CCCN2C(=O)c2csc(C)n2)cc1 71833087 KBUVQUVLJLPKBI-AWEZNQCLSA-N 316.426 3.307 0 40 DGAB Cc1cc([C@@H](C)NC(=O)c2cc3ccccc3c(=O)[nH]2)c(C)o1 71836615 YKHJMDPJJSBYCV-LLVKDONJSA-N 310.353 3.229 0 40 DGAB Cc1occc1C(=O)Nc1ccc(OC[C@H]2CCOC2)cc1 71914380 URZMIMGDBBMHJX-ZDUSSCGKSA-N 301.342 3.256 0 40 DGAB N[C@H]1C(=O)N(Cc2ccccc2)[C@H]1c1ccc(C(F)(F)F)cc1 72228173 MZOUVGASVLXEPC-CABCVRRESA-N 320.314 3.116 0 40 DGAB C[C@@](Br)(I)C(F)(F)F 72265607 PNBKFOZWPOGRCA-UWTATZPHSA-N 302.859 3.095 0 40 DGAB CC[C@H](NC(=O)c1cc(C(N)=O)cs1)c1cc(F)ccc1F 72293678 WTDPGHZZNIQIJI-LBPRGKRZSA-N 324.352 3.006 0 40 DGAB Cn1nc(-c2ccccc2Cl)cc1C(=O)Nc1ccncc1 72402982 CVNGMZBHBYIYLQ-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB O=C(CC1(O)CCCCC1)N[C@@H]1C[C@@H]1c1cccc(F)c1F 74003420 DSNIJBNDKMTIEK-TZMCWYRMSA-N 309.356 3.022 0 40 DGAB CN(Cc1nccn1C(F)F)C(=O)CSc1ccccc1 74140529 XHHNVEZKFDBUMF-UHFFFAOYSA-N 311.357 3.029 0 40 DGAB COc1ccc(OCCN[C@H](C)c2cccc(OC)c2)cc1 75094257 MHFKHTGYNFOAKR-CQSZACIVSA-N 301.386 3.433 0 40 DGAB Cc1cc(NC(=O)NC2(C(F)(F)F)CCCCC2)n(C)n1 75139352 GYZXHDKBWYZZAV-UHFFFAOYSA-N 304.316 3.115 0 40 DGAB COC[C@@H](C)NC(=O)Nc1ccc(-c2nc(C(C)C)no2)cc1 78407501 YQNNFJRWSVNLSU-LLVKDONJSA-N 318.377 3.016 0 40 DGAB O=C(NC1CC1)c1ccc(CNc2ccc(Cl)cn2)cc1 78654153 NXGBPICCUCRUKA-UHFFFAOYSA-N 301.777 3.239 0 40 DGAB C[C@@H](CCc1ccc(O)cc1)NCc1cc2ccccc2[nH]c1=O 78998482 WLLJJPVYKZHKOS-AWEZNQCLSA-N 322.408 3.345 0 40 DGAB CCc1ccc(/C=C/S(=O)(=O)Nc2onc(C)c2C)cc1 79108500 GZXJGGYYBYDQRR-MDZDMXLPSA-N 306.387 3.266 0 40 DGAB COCC[C@@H](C)NC(=O)c1ccc(C)c(Oc2ccncc2)c1 79357883 PZHQYDVIIHONBU-CQSZACIVSA-N 314.385 3.337 0 40 DGAB O=C(Nc1ccncc1)N[C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 89262709 UNKNYCBOWRWOMA-HUUCEWRRSA-N 317.776 3.387 0 40 DGAB COC(=O)[C@H](C)[C@@H](NCc1sc(C)nc1C)c1ccccc1 89559214 CJRQHRBXQDSJKE-BDJLRTHQSA-N 318.442 3.400 0 40 DGAB CC[C@@H](COC)NC(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 89943600 GDKGTEWEQMGFPE-HOCLYGCPSA-N 319.449 3.072 0 40 DGAB CCc1ccc(C(C)(C)C(=O)O)cc1I 95080137 RUVGXZCQYVEAKQ-UHFFFAOYSA-N 318.154 3.216 0 40 DGAB in-vitro Cn1c(CN(Cc2ccccc2)C2CC2)nc2ccccc2c1=O 95349022 POJCDCFISZMUFR-UHFFFAOYSA-N 319.408 3.098 0 40 DGAB Cc1noc([C@H](c2ccccc2)N(C)Cc2c(C)noc2C)n1 95963354 ZGRHECVXOLIMSK-INIZCTEOSA-N 312.373 3.204 0 40 DGAB C[C@H](NCCN1CCC(N(C)C)CC1)c1ccc(Cl)cc1 95968950 HDUBTEOWDTVCLB-AWEZNQCLSA-N 309.885 3.017 0 40 DGAB CC(=O)c1ccc(NC(=O)c2sc(N(C)C)nc2C)cc1C 95994599 XHCCXZCNOCSHOU-UHFFFAOYSA-N 317.414 3.281 0 40 DGAB CCOC[C@]12CCCO[C@H]1CCN(Cc1ccc(OC)cc1)C2 96056802 HGJXULPVWFKQRR-RBUKOAKNSA-N 319.445 3.103 0 40 DGAB COc1cc(OC)c(NC(=O)[C@H](C)N2CCCCCC2)cc1F 96461594 ILKHLCYBHUCPFQ-LBPRGKRZSA-N 324.396 3.046 0 40 DGAB O[C@H](Cn1cc(Cl)cn1)c1ccccc1Br 96484755 ZWZIKDASOLEAFM-LLVKDONJSA-N 301.571 3.033 0 40 DGAB O=C(NC1CCN(c2ccncc2Cl)CC1)c1cccs1 97012359 KRPYZQXWXHXEOO-UHFFFAOYSA-N 321.833 3.195 0 40 DGAB O=C(CCc1ccc(C(=O)O)cc1)N[C@@H]1CCCc2occc21 97017644 LERZNQSTLSHANA-OAHLLOKOSA-N 313.353 3.104 0 40 DGAB CO[C@H](C)CCC(=O)N(C)C1CCN(C2CCC(C)CC2)CC1 97082338 UXQPKFPGKIXHBK-UPTPFMHGSA-N 324.509 3.303 0 40 DGAB CC(C)[C@H](NS(=O)(=O)CC1CCCCC1)c1ccccc1N 97147730 IRZKQXBVYHKISH-KRWDZBQOSA-N 324.490 3.466 0 40 DGAB Cc1cccnc1NC(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 97378328 FOOZRSRFDBWNFY-JKSUJKDBSA-N 311.385 3.432 0 40 DGAB Cc1ccccc1[C@H]1C=C(C(=O)O)Nc2nc3ccccc3n21 102243913 LYEADBZVJWTDFX-MRXNPFEDSA-N 305.337 3.328 0 40 DGAB C[C@H](c1nc(C2CC2)no1)N1CCO[C@@H](c2ccc(F)cc2)C1 106107827 VOKJAWRLFWVYBF-IAQYHMDHSA-N 317.364 3.221 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1C[C@H](C)[C@H]2CCCC[C@H]21 108389561 WOSSNUQWYOUKGV-XGWLTEMNSA-N 319.449 3.444 0 40 DGAB Cc1nc(-c2ccccc2)c(C(=O)NC2CCC(O)CC2)s1 170829948 PHMYCINGTDYMFW-UHFFFAOYSA-N 316.426 3.152 0 40 DGAB O=C(Nc1ccccc1Cl)c1ccnc(O[C@@H]2CCOC2)c1 182166299 HLADFNGVZWZIFZ-GFCCVEGCSA-N 318.760 3.155 0 40 DGAB COC(=O)c1ccc(NC(=O)Cc2ccc(Cl)cc2F)cc1 224972326 XWSUNIHDKHFPHE-UHFFFAOYSA-N 321.735 3.447 0 40 DGAB CCCO[C@](C)(C(=O)Nc1ccc(OCC)nc1C)C1CC1 225913051 PTDHFCINCHSCMT-KRWDZBQOSA-N 306.406 3.323 0 40 DGAB O=C(NCCSC1CCOCC1)c1cc2ccccc2o1 238893949 QWJXNNOVXQHWTJ-UHFFFAOYSA-N 305.399 3.075 0 40 DGAB c1ccc(O[C@H]2C[C@@H]3CN(Cc4cncs4)C[C@@H]3C2)cc1 257242160 IBJBEIUHCICXID-FOLVSLTJSA-N 300.427 3.433 0 40 DGAB O=C(c1ccccn1)N1C[C@H]2CCC[C@H](Cc3cccnc3)[C@H]2C1 257279532 OHCAIPAZUAFROK-KZNAEPCWSA-N 321.424 3.208 0 40 DGAB Cc1cc(C)nc(N2CCC[C@H]2c2cccc(-n3ccnc3)n2)n1 257297153 RGCXECWFUJBRHD-INIZCTEOSA-N 320.400 3.016 0 40 DGAB O[C@H]1CN(Cc2cc3ccccc3s2)CC[C@@]12CCCO2 257330493 XORFOYOJEBSGKE-IRXDYDNUSA-N 303.427 3.017 0 40 DGAB C[C@]1(c2nc(CCc3ccc(OC(F)F)cc3)no2)CCCO1 273868545 JZMSRWDLNRNKSK-MRXNPFEDSA-N 324.327 3.482 0 40 DGAB CN1C(=O)CC[C@@]12CCCN(Cc1ccc3c(c1)CCC3)CC2 585100643 RKOWQUCUQMNJBB-HXUWFJFHSA-N 312.457 3.152 0 40 DGAB Cc1ccc(C(=O)N[C@@H]2c3ccccc3[C@@H]3CN(C(C)C)C[C@H]23)o1 585109779 SXQGERGXYMOJKF-JENIJYKNSA-N 324.424 3.497 0 40 DGAB CN(C)C(=O)[C@]1(Cc2ccc(-c3cccs3)cc2)CCCN1 953025709 UBANZYNJYZDKTI-GOSISDBHSA-N 314.454 3.168 0 40 DGAB CC[C@H](C)N1CCN(C(=O)[C@@H](C)Cc2cccc(Cl)c2)CC1 1556627033 XLTAYXZUKVAVAR-GJZGRUSLSA-N 322.880 3.461 0 40 DGAB C[C@H](c1ccccc1)N1CCC[C@@H](C(=O)N2CCSCC2)C1 1889138904 FXIMIWBQKOOTRB-NVXWUHKLSA-N 318.486 3.035 0 40 DGAB COc1ccc(NC(=O)COc2ccc(Cl)cc2)c(OC)c1 128384 PCGQBFGCRWBFNL-UHFFFAOYSA-N 321.760 3.375 0 40 DGAB O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1Cl 807392 FZEIOZDILGYBTQ-UHFFFAOYSA-N 315.756 3.086 0 40 DGAB CC(C)(C)OC(=O)[C@@H]1CCCN(C(=O)OCc2ccccc2)C1 1433420 YGTAGHPPCSNECI-OAHLLOKOSA-N 319.401 3.377 0 40 DGAB CN(C(=O)Cc1c[nH]c2ccccc12)C1Cc2ccccc2C1 55626746 PDKUKTCTAOEUHY-UHFFFAOYSA-N 304.393 3.336 0 40 DGAB Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 25375102 IHLOAGYWSPWYPD-NEPJUHHUSA-N 321.364 3.394 0 40 DGAB C[C@@H](C(=O)c1ccccc1)C(O)(C(F)(F)F)C(F)(F)F 6425740 OJURQAZMBMFRTD-ZETCQYMHSA-N 300.198 3.361 0 40 DGAB COc1ccccc1COC[C@@H](O)CN[C@@H](C)CCCC(C)C 6906672 JBBDURRRSRDHQN-WMZOPIPTSA-N 323.477 3.377 0 40 DGAB Oc1ccc2nc(N3CCN(c4ccccc4)CC3)sc2c1 26424211 MOKROYJIARBFPZ-UHFFFAOYSA-N 311.410 3.329 0 40 DGAB Cc1nnc(NC(=O)NC2(c3ccc(F)cc3)CCC2)s1 58173498 PKVXXQNVENHKGR-UHFFFAOYSA-N 306.366 3.187 0 40 DGAB CO[C@@H](C(=O)Nc1cc(C)ccc1NC(C)=O)c1ccccc1 96003786 RQCSKENGFPKJIB-QGZVFWFLSA-N 312.369 3.280 0 40 DGAB CC(C)N1CCC[C@@H](CNC(=O)c2c(F)cccc2Cl)C1 58406266 ZHASJDNSDCBEQY-LBPRGKRZSA-N 312.816 3.329 0 40 DGAB C[C@H](NC(=O)Nc1ccccn1)c1nc(-c2ccccc2)c[nH]1 58433292 SRCCMUDIZNVOCG-LBPRGKRZSA-N 307.357 3.354 0 40 DGAB C[C@@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)[C@H](C)CO1 45445986 XTGVPYXYVBRLKB-ZIAGYGMSSA-N 300.402 3.126 0 40 DGAB O=C(Oc1ccc(Cl)cc1)c1ccc(Cn2cncn2)cc1 36644404 XILWFOCDLJFKON-UHFFFAOYSA-N 313.744 3.199 0 40 DGAB Cc1cc(NC(=O)c2ccccc2Cl)cc(C(=O)O)c1O 20137777 MPIIMFYPRDSUSA-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB COC(=O)c1ccc(NC(=O)C2=Cc3ccccc3OC=C2)cc1 11689856 NBQNIOILTBVYSW-UHFFFAOYSA-N 321.332 3.401 0 40 DGAB COc1cccc(C(=O)CCCC2OCC(C)(C)CO2)c1OC 2518115 KLLBIYSNVTUGFY-UHFFFAOYSA-N 322.401 3.456 0 40 DGAB COc1ccc(C(=O)COC(=O)c2c(F)cccc2F)cc1 2644617 NRQCCIHOWCVHGZ-UHFFFAOYSA-N 306.264 3.013 0 40 DGAB O=C(Nc1ccc(N2CCCC2)nc1)N1CCCCCCC1 48087458 OUJXSQIRGVQFFF-UHFFFAOYSA-N 302.422 3.480 0 40 DGAB CNC(=O)c1cc(-c2cccs2)n(-c2ccc(F)cc2)n1 12748562 FPYKEOJBNREORJ-UHFFFAOYSA-N 301.346 3.100 0 40 DGAB CC[C@H](C)NC(=O)c1cccc(CNC(=O)c2ccoc2C)c1 48311433 LZQFRZVUKFCNBQ-LBPRGKRZSA-N 314.385 3.046 0 40 DGAB O=c1cnc2ccccc2n1CCSc1ccccc1F 12815016 QGGLRUMUKYBSBL-UHFFFAOYSA-N 300.358 3.328 0 40 DGAB O=C(NC1CC1)c1ccc(NC(=O)c2ccc(F)cc2F)cc1 12940106 WZHBSLONLYQTNY-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB COc1ccc(CNC(=O)c2cccc3cccnc23)cc1OC 13000890 QSOJURXOESHJQV-UHFFFAOYSA-N 322.364 3.182 0 40 DGAB CC(C)C[C@@H](NC(=O)Nc1ccc(F)c(Cl)c1)C(=O)O 6049596 HVEBADSBAWLWGN-LLVKDONJSA-N 302.733 3.100 0 40 DGAB Cc1oc(-c2ccc(Cl)cc2Cl)cc1C(=O)NCCO 5033063 KFMBXDKIIJBBMT-UHFFFAOYSA-N 314.168 3.284 0 40 DGAB Oc1ccc(-n2ccnc2-c2ccccn2)cc1-c1ccno1 65375113 MEJZTBCAQJYUNG-UHFFFAOYSA-N 304.309 3.295 0 40 DGAB Cc1ccc([C@@H](NC(=O)CN2CCCC2)c2cccs2)cc1 14085184 IFWHTVMEJCZNJA-GOSISDBHSA-N 314.454 3.358 0 40 DGAB O=C([C@H]1CCCc2ccccc21)N1CCC[C@@H](n2cccn2)C1 65609721 IRFQUXIKVSMQSW-AEFFLSMTSA-N 309.413 3.167 0 40 DGAB O=C(NCCc1ccccn1)c1cc2cc(Cl)ccc2o1 9322587 FNXWAMGXMGHZMB-UHFFFAOYSA-N 300.745 3.454 0 40 DGAB CCn1nnc2cc(C(=O)Nc3cccc4cccnc34)ccc21 6846292 PSWUUOBPTOHSBM-UHFFFAOYSA-N 317.352 3.252 0 40 DGAB CCOc1c(Cl)cc(C(=O)NCc2ccco2)cc1OC 9499534 MXHFNXOQSHMTMA-UHFFFAOYSA-N 309.749 3.270 0 40 DGAB COc1ccccc1CSc1nnc(-c2ccco2)n1C 5864277 SLYMDOGZDPMPOD-UHFFFAOYSA-N 301.371 3.376 0 40 DGAB O=C(CNc1ccc(C(F)(F)F)cc1)NCc1cccs1 15291543 JSXJQQIUKYRNSD-UHFFFAOYSA-N 314.332 3.495 0 40 DGAB O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC1CC1 4934001 ICOCKEGOGWRDQC-UHFFFAOYSA-N 323.468 3.034 0 40 DGAB Cc1ccc(C(=O)N[C@H](c2ccccc2F)c2nccn2C)cc1 15544852 YAYMMLMFJFZBAO-QGZVFWFLSA-N 323.371 3.387 0 40 DGAB Fc1ccc(-c2cc(-c3nc(-c4cccnc4)no3)n[nH]2)cc1 7424963 DXZFBBQLXAZLLZ-UHFFFAOYSA-N 307.288 3.328 0 40 DGAB Cn1cc([C@@H]2CCCN2C(=O)[C@@H]2C[C@@H]2c2ccccc2F)cn1 71796861 NVEVIDXMOBFRDZ-INMHGKMJSA-N 313.376 3.026 0 40 DGAB Cc1ccc(C(=O)N2CCO[C@@H](c3ccccc3Cl)C2)o1 71799993 DKXMYEHEIKWGKP-OAHLLOKOSA-N 305.761 3.455 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Sc2nncs2)c1C 7766375 VERWTAYEZSHUQC-VIFPVBQESA-N 309.416 3.049 0 40 DGAB Cc1cc(S(=O)(=O)N2CCC[C@H]2c2ccco2)sc1C 91041455 MTCAGLMJEYQYBI-LBPRGKRZSA-N 311.428 3.484 0 40 DGAB Cc1oc(-c2ccco2)nc1CN[C@@H](C)[C@H](C)n1cccn1 71882112 HVXGTOAZJOXUMT-RYUDHWBXSA-N 300.362 3.179 0 40 DGAB CO[C@@H](C(=O)Nc1cccc(C(F)(F)F)n1)c1ccccc1 71854106 ZGBOHEQZIYFQMT-CYBMUJFWSA-N 310.275 3.427 0 40 DGAB C[C@@H]1CCCC[C@H]1CC(=O)N[C@@H]1CCCc2[nH]c(=O)ccc21 71828344 JGPJLBXZRQEZSO-DVOMOZLQSA-N 302.418 3.085 0 40 DGAB CC(=O)Nc1nc(CN[C@@H](C2CCCC2)C(F)(F)F)cs1 91712818 DXDWTHHMVVAKIA-NSHDSACASA-N 321.368 3.312 0 40 DGAB COCCNC(=O)Nc1ccc(OCc2ccco2)c(Cl)c1 69658826 BALRURZHGONZIU-UHFFFAOYSA-N 324.764 3.280 0 40 DGAB COc1ccc(Cl)cc1NC(=O)c1nc(C)ncc1Cl 71916439 HPOAPAOKGKBXSW-UHFFFAOYSA-N 312.156 3.353 0 40 DGAB O=C(Nc1cnn(CC(F)F)c1)c1ccc(-c2cnco2)cc1 71909804 LCJMBZQHJOMXTR-UHFFFAOYSA-N 318.283 3.056 0 40 DGAB Cc1ccn2cc(C(=O)Nc3nc(C(C)C)cs3)nc2c1 8709963 ZCSMIROQSBBIBC-UHFFFAOYSA-N 300.387 3.475 0 40 DGAB COc1cc([C@@H]2NC(=O)c3ccccc3N2)cc(Cl)c1OC 9616810 NRNAHEKGAJCKQC-HNNXBMFYSA-N 318.760 3.211 0 40 DGAB Cn1ccnc1C[C@@H]1CCCN(Cc2cnc(C3CC3)s2)C1 97058935 FFNAYTVXEWOXAR-ZDUSSCGKSA-N 316.474 3.209 0 40 DGAB COc1ccccc1[C@H](C)Nc1ccc(N2CCOCC2)cn1 97037172 XXRSUHIMMCFFAS-AWEZNQCLSA-N 313.401 3.100 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)c3c(C)noc3C)C2)n1 72298634 DCXQFXRREQGCIV-LBPRGKRZSA-N 305.403 3.076 0 40 DGAB O=C(O)c1cnc(-c2cccc(CN3CCCCC3)c2)s1 72233684 SFNHWWXDLVWXRB-UHFFFAOYSA-N 302.399 3.494 0 40 DGAB O=C(COC1CCCC1)N(Cc1ccco1)CC(F)(F)F 97403057 XQGKVCSLRXLHDT-UHFFFAOYSA-N 305.296 3.130 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccccc1)N1CCC[C@@H]1c1noc(C2CC2)n1 84525411 RACRJIXGIOPPJG-BZUAXINKSA-N 323.396 3.414 0 40 DGAB CCOc1cc(CNC(=O)c2ccc3[nH]ccc3c2)ccc1O 95393962 RMPPWZPZDRTFJL-UHFFFAOYSA-N 310.353 3.202 0 40 DGAB CCN(C(=O)CSc1ncnc2sc(C)c(C)c12)C1CC1 84761108 KZIBBQRMUIAGKQ-UHFFFAOYSA-N 321.471 3.411 0 40 DGAB CC(C)[C@H](Cc1ccc(F)cc1)NCC(=O)Nc1cccnc1 95466672 LCBNBESFVWZGBI-KRWDZBQOSA-N 315.392 3.016 0 40 DGAB C[C@H](Cc1ccco1)NC(=O)N[C@H]1CCOC2(CCCC2)C1 95426109 BEEVOXQZUPNMRI-KGLIPLIRSA-N 306.406 3.002 0 40 DGAB O=C(COc1ccccc1F)NCC1(c2cccs2)CC1 22680345 ZQROWYWZLSKNIN-UHFFFAOYSA-N 305.374 3.114 0 40 DGAB Cc1noc(C)c1CS(=O)(=O)[C@@H](C)c1c(F)cccc1F 95955546 KJBFHQLYTPDCFI-JTQLQIEISA-N 315.341 3.246 0 40 DGAB CCOc1ccc(CNCC2([C@H](C)CCO)CCC2)cc1OC 95988551 GRWILYDYECUJNO-OAHLLOKOSA-N 321.461 3.372 0 40 DGAB CCc1cc(C)c(C(=O)N[C@H](CC(=O)O)c2cccs2)o1 95989356 FRPJPKOTZWJRKK-LLVKDONJSA-N 307.371 3.158 0 40 DGAB COc1ccccc1-c1nnc(SC(=O)c2ccco2)o1 408622866 PZJXMJSHLSTBIF-UHFFFAOYSA-N 302.311 3.271 0 40 DGAB CC(C)c1ccc(CNc2ccc3[nH]nc(C(N)=O)c3c2)cc1 89893404 FQNPYJBZITWHLO-UHFFFAOYSA-N 308.385 3.397 0 40 DGAB CCc1ccc(NS(=O)(=O)c2ccc3c(c2)CCN3)cc1 20431811 WPWCJDWFROKBFC-UHFFFAOYSA-N 302.399 3.018 0 40 DGAB O=C(CC1c2ccccc2Oc2ccccc21)Nc1c[nH]nc1O 1558988634 YYKGEKKMVXTILO-UHFFFAOYSA-N 321.336 3.382 0 40 DGAB COc1ccc([C@@H]2CCN(C(=O)NCc3ccccc3)C2)cc1 38566764 ILYKTLPLKCGUDE-QGZVFWFLSA-N 310.397 3.394 0 40 DGAB CC(=O)NCCCCSc1ccccc1Br 79360476 ZBVOKJHPFONXJH-UHFFFAOYSA-N 302.237 3.458 0 40 DGAB O=C(NC[C@@H](O)Cc1ccccc1)c1ccccc1C(F)(F)F 70639252 PVCPBHVUVAMIBR-ZDUSSCGKSA-N 323.314 3.039 0 40 DGAB CC(=O)N1CCC[C@H]1CCc1ccc(-c2ccccc2F)nn1 72365829 HZHHSXHNIUGSMZ-HNNXBMFYSA-N 313.376 3.226 0 40 DGAB CCOC(=O)[C@H](C)Nc1ccc(NC(=O)c2cccs2)cc1 79354960 BOXXZDOGUTUJFP-NSHDSACASA-N 318.398 3.364 0 40 DGAB CC(C)[C@@H](N[C@H](C)CS(C)(=O)=O)c1ccc(Cl)cc1F 182136779 ARZOXSNVATYEHM-QMTHXVAHSA-N 321.845 3.199 0 40 DGAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)c(C)o1 79310455 SDUWDELOKXWASA-HNNXBMFYSA-N 300.358 3.117 0 40 DGAB CC(C)(C)OC(=O)N1[C@@H]([C@@H](N)c2ccccc2)COC1(C)C 72208811 OEXNURJONFKAOX-KGLIPLIRSA-N 306.406 3.058 0 40 DGAB C[C@]1(C(=O)O)CCCN(CCn2ccc3cc(Cl)ccc32)C1 565100925 LBBKVGLYYWGZIY-KRWDZBQOSA-N 320.820 3.481 0 40 DGAB COc1ccc(NC(=O)Cc2ccc(OC)c(C)c2)c(OC)c1 74959671 WIXXTJLPMVRRNO-UHFFFAOYSA-N 315.369 3.202 0 40 DGAB O=C(O)c1coc(CN2CC=C(c3ccc(Cl)cc3)CC2)n1 563278686 UOVVGUJNGNXPAQ-UHFFFAOYSA-N 318.760 3.316 0 40 DGAB CC(C)(C)OC(=O)NC1CCN(CCc2ccccc2)CC1 44138814 IVRZAYIFKATGFM-UHFFFAOYSA-N 304.434 3.218 0 40 DGAB CCCOc1c(C)cc(I)cc1C=O 225272178 ATHOKUUFVQWFPQ-UHFFFAOYSA-N 304.127 3.201 0 40 DGAB Brc1cncc(NCc2ccc3c(c2)OCO3)c1 134623082 LAYCLSDVDZNLSC-UHFFFAOYSA-N 307.147 3.185 0 40 DGAB COc1ccc(C2=Nc3ccccc3N3CCN=C23)cc1OC 85389725 ZLRGLGXDUHYKKB-UHFFFAOYSA-N 307.353 3.057 0 40 DGAB CSc1nc(N)cc(Nc2ccc(Br)cc2)n1 49467377 LIESHDPLPYZWDZ-UHFFFAOYSA-N 311.208 3.287 0 40 DGAB COc1ccc(NC(=O)c2cnc(C(C)C)nc2C)c(OC)c1 222572352 SGQAWCKYSODENS-UHFFFAOYSA-N 315.373 3.178 0 40 DGAB CC(C)n1ccc2ccc(C(=O)N[C@H]3CN4CCC3CC4)cc21 95476625 OSDKPUFISMGXGJ-KRWDZBQOSA-N 311.429 3.046 0 40 DGAB Cc1ccc(CN2CC[C@@H](N(C)C)[C@@H]2Cc2ccncc2)s1 96061732 FZTYRPGDUNLBME-MSOLQXFVSA-N 315.486 3.199 0 40 DGAB c1cnc2c(c1)CN(Cc1ccoc1)CCN2Cc1ccncc1 96198967 YQQHEPIKBGTIRH-UHFFFAOYSA-N 320.396 3.092 0 40 DGAB CC(=N)c1nnc2c(-c3ccccc3)c(C)nn2c1/C=C/N(C)C 95115705 VDGNZLXRRZVGRQ-UJFUTIARSA-N 320.400 3.020 0 40 DGAB Cc1nccn1-c1ccccc1CNC(=O)Cc1ccc(F)cc1 143258955 FOHCYKWPJZQTLG-UHFFFAOYSA-N 323.371 3.179 0 40 DGAB O=C(COc1ccc2c(c1)CCCC2)NCc1ccc(F)cc1 146534230 FJWLSWTVDBXEBN-UHFFFAOYSA-N 313.372 3.400 0 40 DGAB O=C(Nc1ccc2cc[nH]c2c1)c1cc(-c2cccnc2)n[nH]1 96116628 QPUHMXDZJULQBI-UHFFFAOYSA-N 303.325 3.205 0 40 DGAB O=C(NCc1ccc([C@H](O)c2cccs2)s1)c1ccco1 85562161 QDRHKSNXVXSUOF-CQSZACIVSA-N 319.407 3.414 0 40 DGAB CCN(C(=O)C[C@@H](C)Cc1cccc(F)c1)c1cnn(C)c1 585091175 UXQOUOUADOTLGF-ZDUSSCGKSA-N 303.381 3.181 0 40 DGAB O=C(Cc1ccc(F)cc1)N1CCC[C@@H]1c1cccc2nccn12 257268748 MMZROCZQTFRTKE-QGZVFWFLSA-N 323.371 3.380 0 40 DGAB Cc1ncsc1CN1Cc2nccn2C[C@H]1c1ccccc1 257205606 AZVBYPDYILVENO-HNNXBMFYSA-N 310.426 3.405 0 40 DGAB C[C@@H]1C[C@H](C(=O)N2CCC[C@@H](n3ccnn3)CC2)CC(C)(C)C1 585131262 QHGHHWMCNZAFHP-OWCLPIDISA-N 318.465 3.294 0 40 DGAB C[C@@H](CC(=O)N1CCC(C)(N(C)C)CC1)Cc1cccc(F)c1 585129129 YTUWHUGHTNDSPC-OAHLLOKOSA-N 320.452 3.337 0 40 DGAB O=C(Nc1cnn(C[C@H]2CCCCO2)c1)c1c[nH]c2ccccc12 390827378 GQYMPLNTJBDWOM-CQSZACIVSA-N 324.384 3.186 0 40 DGAB CC[C@@H](CO)NC(=O)Nc1ccc(Oc2cccnc2)c(C)c1 70018602 VXIZINXISGHEGY-ZDUSSCGKSA-N 315.373 3.075 0 40 DGAB COc1cccc(CN2CCC[C@@H](COc3ccncc3)C2)c1 1776001482 WAUQTRJXJOHKOO-QGZVFWFLSA-N 312.413 3.381 0 40 DGAB Cc1ccc(OCC(=O)N(Cc2cccnc2)C2CC2)cc1C 48262249 YMVWVJKXDRNZMH-UHFFFAOYSA-N 310.397 3.268 0 40 DGAB COC(=O)c1[nH]c2nc(C(F)(F)F)ccc2c1Br 37593643 XRVMZHISSGDOPE-UHFFFAOYSA-N 323.068 3.131 0 40 DGAB c1ccc2sc(C3CCN(CCn4cccn4)CC3)nc2c1 60569323 JYRSUVVVNMMMRQ-UHFFFAOYSA-N 312.442 3.372 0 40 DGAB CCCN(C)C[C@H]1CCN(c2ncccc2C(F)(F)F)C1 78563215 JTDYZJJPLPIRFH-GFCCVEGCSA-N 301.356 3.269 0 40 DGAB C[C@H](NC(=O)CSCc1ccncc1)c1ccccc1F 40555286 AFGORJPZWNPXER-LBPRGKRZSA-N 304.390 3.331 0 40 DGAB CCS[C@H]1CC(=O)N(c2cccc(Cl)c2Cl)C1=O 101273775 XKUNZCVOBRIDNH-VIFPVBQESA-N 304.198 3.378 0 40 DGAB CCCCC(=O)Nc1ccc(I)cc1 2057803 BDLMHCCFXKYZSU-UHFFFAOYSA-N 303.143 3.420 0 40 DGAB C[C@]12C[C@H](O)[C@@]3(F)[C@H](CC[C@H]4C[C@H](O)CC[C@@]43C)[C@@H]1CCC2=O 12657871 XLODFPCYPIRCNC-JWMKWPOPSA-N 324.436 3.022 0 40 DGAB biogenic C[C@@H]1C[C@H]1C(=O)Nc1ccccc1C(=O)NCCc1ccccc1 12802931 YRSCGTUURXPCNA-RHSMWYFYSA-N 322.408 3.254 0 40 DGAB Cc1nn(C)c2nc(C3CC3)cc(C(=O)NC3CCCCC3)c12 14898544 ZXSHRFTVFZJTQZ-UHFFFAOYSA-N 312.417 3.217 0 40 DGAB Cc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)nc1C 16265733 GFKGOJUMVZPOHF-UHFFFAOYSA-N 312.160 3.439 0 40 DGAB COc1cc([C@@H](Nc2ccccc2)SCC(=O)O)ccc1O 16758479 BCNHTUMRCYEYDI-INIZCTEOSA-N 319.382 3.329 0 40 DGAB Cc1cc(C(=O)Nc2ccc(F)c(F)c2)c2c(C)nn(C)c2n1 14898760 JXJWPOOZUCALPZ-UHFFFAOYSA-N 316.311 3.116 0 40 DGAB O=C(COC(=O)c1cccs1)Nc1ccc(F)cc1Cl 3318018 MEZFENCIEGOFCS-UHFFFAOYSA-N 313.737 3.336 0 40 DGAB CC(C)=CC(=O)N1CCN(c2cccc(C(F)(F)F)c2)CC1 5689015 UQEYTPMVUKWKGC-UHFFFAOYSA-N 312.335 3.320 0 40 DGAB Cc1cc(NC(=O)c2ccc(C(=O)c3ccccc3)cc2)no1 4194480 JUPQBEGHWBFRCW-UHFFFAOYSA-N 306.321 3.466 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCCC[C@@H]1NC(=O)N[C@H]1C 4520553 NRYDTMPYVQXREL-GJZGRUSLSA-N 317.433 3.262 0 40 DGAB CC(=O)Nc1ccc(N2CCCn3c(nc4ccccc43)C2)cc1 15107383 CPDJHLQJIRMVFL-UHFFFAOYSA-N 320.396 3.405 0 40 DGAB Cc1cccc(CC(=O)NCc2nccnc2-c2ccsc2)c1 575620440 UIBWHWADHDFCSI-UHFFFAOYSA-N 323.421 3.372 0 40 DGAB Cc1ccc2nc(C)c(C(=O)N(C)Cc3ccc(F)cc3)n2c1 20030679 SORXLSDPXGDWIA-UHFFFAOYSA-N 311.360 3.362 0 40 DGAB Cc1cccc2[nH]cc(C3=CCN([C@@H](C)C(=O)NC4CC4)CC3)c12 40118736 DHIJWYAUWHVZSU-AWEZNQCLSA-N 323.440 3.233 0 40 DGAB COc1ccccc1C(=O)N1CCCC[C@H]1CCN1CCCC1 21170666 JUXILUAZVNEEPW-INIZCTEOSA-N 316.445 3.176 0 40 DGAB CCOc1nnc(C)c2c(C)n(-c3cccc(Cl)c3)nc12 383430 TZWHESQEBMPUFC-UHFFFAOYSA-N 302.765 3.484 0 40 DGAB O=C1/C(=C/c2ccccc2O)N=C(S)N1c1ccc(F)cc1 102443825 NVVFHZXGSKRUIK-LCYFTJDESA-N 314.341 3.205 0 40 DGAB Cc1nc2ccccc2nc1CS[C@@H](C)C(=O)NCC(C)C 32814575 GEEKVQKRLWBQET-ZDUSSCGKSA-N 317.458 3.332 0 40 DGAB CN(C)c1ccc([C@@H]2C(=O)c3cc4ccccc4nc3C2=O)cc1 480637 ITIKCUQWGIOWKZ-QGZVFWFLSA-N 316.360 3.464 0 40 DGAB NC(=O)[C@@H](Sc1ncnc2ccccc12)c1ccc(F)cc1 22243430 XSVMBCZWRROMLX-AWEZNQCLSA-N 313.357 3.088 0 40 DGAB CCc1ccccc1NC(=O)C[C@@H](C)NC(=O)c1ccccc1 23624207 NYJYNOGKKUCCHG-CQSZACIVSA-N 310.397 3.396 0 40 DGAB CC[C@@H](C(=O)O)n1cnc2sc(-c3ccccc3)cc2c1=O 144654 AEWDMEJCOMCECV-LBPRGKRZSA-N 314.366 3.161 0 40 DGAB Cc1nc2ccc(C(=O)NCCc3ccccc3)cc2nc1C 216137 OGNADIQGQJPADC-UHFFFAOYSA-N 305.381 3.219 0 40 DGAB O=C(CCNC(=O)Oc1ccccc1)NC1CCCCCC1 302571 OUHYBNBSWVJQMH-UHFFFAOYSA-N 304.390 3.004 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1cc(C)oc1C)[C@@H]2C 485714 FLYABPROFWPXGH-LLVKDONJSA-N 315.369 3.370 0 40 DGAB biogenic CC(C)CC(=O)Nc1nc2ccc(N3CCOCC3)cc2s1 557538 DHUFVSCLMUNMKM-UHFFFAOYSA-N 319.430 3.118 0 40 DGAB CC(C)NC(=S)Nc1cnn(Cc2ccc(Cl)cc2)c1 2806598 QQQUTAFIMYRQLP-UHFFFAOYSA-N 308.838 3.280 0 40 DGAB Cc1cccn2c(=O)nc(SCc3ccc(Cl)cc3)nc12 3134534 LWHRNYNSXLKYMN-UHFFFAOYSA-N 317.801 3.344 0 40 DGAB CN(C(=O)CSc1nncn1-c1ccccc1)c1ccccc1 3292683 CNVFJFCKQLAJAI-UHFFFAOYSA-N 324.409 3.022 0 40 DGAB O=C(CSc1ccc2ccccc2c1)NC[C@@H]1CCCO1 3382591 TVJCURSEPNGUHI-HNNXBMFYSA-N 301.411 3.227 0 40 DGAB COc1cccc(C(=O)OCc2nnc(-c3ccccc3)o2)c1 3526318 NTLRNFSCMLXGEW-UHFFFAOYSA-N 310.309 3.102 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CC(c3ccc(OC)cc3)=NO2)cc1 5028968 JKTQXGKRUAYKPS-GOSISDBHSA-N 324.380 3.389 0 40 DGAB Cn1ccc(NC(=O)COc2ccccc2Cc2ccccc2)n1 5298238 HYIXMBSEYGZGRF-UHFFFAOYSA-N 321.380 3.028 0 40 DGAB COc1ccccc1-c1ccc(=O)n(Cc2ccccc2C)n1 5397059 NKEFNJPTHBFRML-UHFFFAOYSA-N 306.365 3.276 0 40 DGAB O=C(Cc1cccs1)Nc1nc(-c2ccccn2)cs1 6583131 AZFYWDPQLNBSDU-UHFFFAOYSA-N 301.396 3.448 0 40 DGAB CCN(C(=O)COC(=O)c1ccccc1F)c1ccccc1 6779608 HSFOOBIKEDTWBB-UHFFFAOYSA-N 301.317 3.036 0 40 DGAB Cc1ccccc1C(=O)OCC(=O)N1CCCc2ccccc21 6915250 YUZOUBDLFIJHDI-UHFFFAOYSA-N 309.365 3.131 0 40 DGAB COc1ccc(CNC(=O)Cc2ccc(C)c(C)c2)cc1OC 7264936 KIMQWIIMCAIQPF-UHFFFAOYSA-N 313.397 3.180 0 40 DGAB C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)o1 8328385 DPQVVYJRAZCLNS-SMBUJGDBSA-N 310.353 3.154 0 40 DGAB NC(=O)c1cccc(NC(=O)/C=C/c2ccc(Cl)cc2)c1 9254813 RPSCPOASDCPKNL-RMKNXTFCSA-N 300.745 3.091 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CC[C@H]3CCCC[C@@H]3C2)c1C 9365387 LYHSCSXLQIZETA-HUUCEWRRSA-N 302.418 3.486 0 40 DGAB Cc1nn(C)cc1CNC(=O)C(c1ccccc1)c1ccccc1 12009540 BWTFVHWWOGNLPS-UHFFFAOYSA-N 319.408 3.177 0 40 DGAB CCNc1oc(-c2ccco2)nc1S(=O)(=O)c1ccccc1 12080520 LUGFMUJOKFEECV-UHFFFAOYSA-N 318.354 3.199 0 40 DGAB Cn1ccnc1[C@H](NC(=O)C1CCCC1)c1ccc(F)c(F)c1 12115022 YGCCXNFREVTFHI-OAHLLOKOSA-N 319.355 3.094 0 40 DGAB Cc1c(C(=O)NCCCCn2ccnc2)oc2c(C)cccc12 12147247 DUHVRJKHZBXJPK-UHFFFAOYSA-N 311.385 3.456 0 40 DGAB CCSC1=Nc2c(cnn2-c2ccccc2)C2=NCCCN12 12322155 BSNKRNQYPTTWPZ-UHFFFAOYSA-N 311.414 3.079 0 40 DGAB CCN1C(=O)C[C@H](Nc2ccc(Oc3ccccc3)cc2)C1=O 12528048 PRMBUICGUKHFOC-INIZCTEOSA-N 310.353 3.038 0 40 DGAB Cc1cc2ncn(C[C@@H](O)COCc3cccs3)c2cc1C 12593676 VLROSFZSDWYHPJ-CQSZACIVSA-N 316.426 3.292 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)Cc1ccccc1C 12687223 XEOYHXWUILVTEU-UHFFFAOYSA-N 312.369 3.143 0 40 DGAB CCC(C)(C)NCC(=O)Nc1cc(C)nn1-c1ccc(F)cc1 12787373 IYFZEEICDFOXOE-UHFFFAOYSA-N 318.396 3.037 0 40 DGAB O=C(NCc1ccc2c(c1)OCCO2)Nc1cccc(Cl)c1 12975335 AUPUYKVCZLKXHZ-UHFFFAOYSA-N 318.760 3.433 0 40 DGAB O=C(NCc1cc(Cl)c2c(c1)OCCCO2)C1CCCC1 14118965 CCMVAQDKWPXYDN-UHFFFAOYSA-N 309.793 3.308 0 40 DGAB CC(C)NC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1 14553799 IFXQFHRJWOIXDV-UHFFFAOYSA-N 303.406 3.279 0 40 DGAB CCc1ccc(NC(=O)c2cccc(CN3CCOCC3)c2)cc1 20104230 MMJQNYURMNTFSN-UHFFFAOYSA-N 324.424 3.334 0 40 DGAB COCC(=O)Nc1nc(-c2ccc3c(c2)CCCC3)cs1 22845287 KVNYZBWMTXZTEV-UHFFFAOYSA-N 302.399 3.274 0 40 DGAB CCCn1nc(C(=O)Nc2ccc([C@@H](C)CC)cc2)ccc1=O 23659863 NMGJWDGOFSCAKF-ZDUSSCGKSA-N 313.401 3.419 0 40 DGAB O=C(Cc1ccc2c(c1)OCCO2)NCc1ccc(Cl)s1 25519773 QYUOITCOFHHDNX-UHFFFAOYSA-N 323.801 3.032 0 40 DGAB COc1ccc(CN(C)C(=O)NCCc2cccs2)cc1 26523945 ZWWZBCCYAVUMKB-UHFFFAOYSA-N 304.415 3.141 0 40 DGAB O=C1CCCN1CCc1nc(-c2c[nH]c3ccccc23)cs1 30447715 FXAODJRLMGOQEN-UHFFFAOYSA-N 311.410 3.456 0 40 DGAB CC[C@H]1CN(C(=O)c2ccc3[nH]c4c(c3c2)CCCC4)CCO1 30762702 QBVBHHWJTPCZGP-AWEZNQCLSA-N 312.413 3.298 0 40 DGAB CCOC(=O)N[C@@H](CNC(=O)c1cccc(C)c1C)CC(C)C 31705308 XOLJIJVFTQCJES-OAHLLOKOSA-N 320.433 3.194 0 40 DGAB c1ccc(-n2nnnc2CN2CCC[C@H]2c2cccs2)cc1 32759277 IWQDNGNWYYZFLL-AWEZNQCLSA-N 311.414 3.061 0 40 DGAB O=C1S/C(=C\c2ccc(F)cc2)C(=O)N1CN1CCCCC1 33286106 XYUGZZVMKOSRGA-UVTDQMKNSA-N 320.389 3.305 0 40 DGAB O=Cc1ccc(O[C@H]2CCCCO2)c(O[C@@H]2CCCCO2)c1 34113651 BNBFKXFYXJETEM-DLBZAZTESA-N 306.358 3.310 0 40 DGAB in-vitro O=C(C1CCN(Cc2ccccc2)CC1)N1CCCCCC1 39749055 IYXSZZWZPHRMRQ-UHFFFAOYSA-N 300.446 3.301 0 40 DGAB CCN(Cc1cccc(C)c1)Cc1cc(=O)n2ccccc2n1 40091298 PJQWGUZMXVHDJG-UHFFFAOYSA-N 307.397 3.025 0 40 DGAB CCOc1ncccc1CNC(=O)Nc1c(F)cccc1F 40525880 DXFBUMLRUNJKMB-UHFFFAOYSA-N 307.300 3.080 0 40 DGAB O=C(Cc1cc(-c2ccco2)on1)NCc1c(F)cccc1F 42379807 QYYNTPRSIQOLCX-UHFFFAOYSA-N 318.279 3.072 0 40 DGAB Cc1ccc(C(=O)c2ccc(I)cc2)nc1 45028544 LJEGJMJNRSTJNK-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB O=C(NC[C@@H](c1cccs1)N1CCCC1)Nc1ccncc1 54219193 SAOOYZODHNZQSY-AWEZNQCLSA-N 316.430 3.102 0 40 DGAB Cc1cccc(C(=O)N[C@H](c2ccccc2)c2nc(C)no2)c1 58329721 KNUSSOIRNCFRNC-MRXNPFEDSA-N 307.353 3.206 0 40 DGAB CCOC(=O)NCCC(=O)N1CCC[C@@H]1c1ccc(C)c(C)c1 58424095 MMRCQHOJMNZHGI-MRXNPFEDSA-N 318.417 3.103 0 40 DGAB Cc1c2c(nn1Cc1ccccc1)NC(=O)C[C@@H]2c1ccncc1 65417498 LNJRBWBIFKOBFR-MRXNPFEDSA-N 318.380 3.109 0 40 DGAB CC[C@](C)(O)CNC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2 66158347 VLYDNCVEUHMTNC-INIZCTEOSA-N 320.389 3.011 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)CCc3cccs3)C2)c1 69415687 WEBRWACXVSRDJJ-AWEZNQCLSA-N 303.431 3.049 0 40 DGAB CCn1cc(NC(=O)c2c[nH]c3cc(Cl)ccc23)ccc1=O 69462085 CJYOBTMZSXEVGE-UHFFFAOYSA-N 315.760 3.255 0 40 DGAB CCc1nc(CCNC(=O)N[C@@H]2CCCc3occc32)cs1 69568335 NDENNGYCFDJKSM-CYBMUJFWSA-N 319.430 3.218 0 40 DGAB Cc1noc(C)c1NC(=O)c1ccc(N2CCCC2)c(F)c1 71882735 DEDPVXOTMUERJC-UHFFFAOYSA-N 303.337 3.283 0 40 DGAB O=C(Nc1cc(-c2ccccc2)ns1)N[C@H]1CCCOC1 72309656 DZLGOXJJQGHLKR-LBPRGKRZSA-N 303.387 3.111 0 40 DGAB COc1cc(Cl)c(CNC(=O)c2cccs2)cc1OC 72434083 FJUHCDBPEGEZHF-UHFFFAOYSA-N 311.790 3.349 0 40 DGAB Cc1ccc(NS(C)(=O)=O)c(NC(=O)CC2=CCCCC2)c1 76041635 UISJXGVDGQBZFW-UHFFFAOYSA-N 322.430 3.196 0 40 DGAB COCCSCCC(=O)Nc1cccc(Br)c1 76324806 HTRGGGQWJLABGG-UHFFFAOYSA-N 318.236 3.157 0 40 DGAB CN1CC[C@H](Cc2ccc(-c3cccc(C(=O)O)c3)cc2)C1=O 77010640 NEHPTLICXQVUKX-MRXNPFEDSA-N 309.365 3.073 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)[C@@]2(C)CC2(Cl)Cl)CC1 78671157 ZGHVWJZZCVSFAU-DGCLKSJQSA-N 308.249 3.378 0 40 DGAB CCc1cc2c(N3CCC[C@@H]3c3noc(C)n3)ncnc2s1 83820531 MXBGLBSMGRUVBY-GFCCVEGCSA-N 315.402 3.287 0 40 DGAB Cc1cc(C)nc(SCC(=O)N(C2CCCC2)C2CC2)n1 84114598 UDHOSCVVZHAGPO-UHFFFAOYSA-N 305.447 3.119 0 40 DGAB CC(C)N(C[C@@H](C)O)C(=O)NCc1csc2ccccc12 89869538 ASBHMZIKYFLBRT-GFCCVEGCSA-N 306.431 3.202 0 40 DGAB C[C@@H](CNC(=O)c1ccc(CSc2ccccc2)o1)C(=O)O 89901239 DWUHUTZXVDBLFE-NSHDSACASA-N 319.382 3.022 0 40 DGAB Cc1ccc(C(=O)NCc2ccccn2)cc1Br 93197493 NXUPLHOPHKGFRP-UHFFFAOYSA-N 305.175 3.083 0 40 DGAB Cc1cc(Oc2ccccc2)ccc1NC(=O)CCn1cncn1 95394291 OQPGWBNZAAUZMX-UHFFFAOYSA-N 322.368 3.408 0 40 DGAB C[S@](=O)c1cccc(NCc2ccc(-n3ccnc3)cc2)c1 95428790 IXRWXYKHHZHBQC-JOCHJYFZSA-N 311.410 3.222 0 40 DGAB Cc1csc([C@H](NC(=O)c2cccc(C(=O)O)c2)C2CC2)n1 95976725 VCHVXHIWYJBJHX-CYBMUJFWSA-N 316.382 3.031 0 40 DGAB CC(=O)N1CC[C@@]2(c3ccccc3)CCN(Cc3ccoc3)C[C@H]12 96058445 PETNXQAXLXPEDC-VQTJNVASSA-N 324.424 3.044 0 40 DGAB COC1(CNC(=O)NC2CCCC2)C2CC3CC(C2)CC1C3 96123928 IQOVCXVOHYOFQK-UHFFFAOYSA-N 306.450 3.070 0 40 DGAB CCN(CC)C1CCN(C(=O)[C@H]2CSc3ccccc32)CC1 96411235 ZAOJVVIOROYPSW-INIZCTEOSA-N 318.486 3.209 0 40 DGAB Cc1csc(C(C)(C)NCC(=O)N[C@@H](C)c2cccs2)n1 96443397 VWTKJPSVRNPYAO-NSHDSACASA-N 323.487 3.215 0 40 DGAB CS(=O)(=O)c1ccccc1N1CC[C@@H](c2ccc(F)cc2)C1 96461857 WFORAMWCPUINCQ-CQSZACIVSA-N 319.401 3.223 0 40 DGAB O=C(OC[C@@H]1CCCO1)c1cnc(Cc2ccccc2)s1 96461875 LVRKGPYPWTXTKE-ZDUSSCGKSA-N 303.383 3.070 0 40 DGAB Cc1csc([C@H](C)NCc2cccc(C(=O)N(C)C)c2)n1 97112114 NLXGELULTGBPCK-LBPRGKRZSA-N 303.431 3.004 0 40 DGAB Cc1ccccc1NCN1C(=O)[C@H]2CC[C@](C)(C1=O)C2(C)C 100483066 GJQRSVANRABPSC-FZKQIMNGSA-N 300.402 3.176 0 40 DGAB Cc1nc(C2=C(O)CN(CCCOC(C)C)C2=N)sc1C 102360737 LWVAFWNNZSBSET-UHFFFAOYSA-N 309.435 3.137 0 40 DGAB O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1)N(C[C@H]1CCOC1)C1CC1 106633856 SCWBWGQUAHEIPQ-CSMYWGQOSA-N 319.832 3.471 0 40 DGAB Cc1sc2ncnc(N(C)[C@@H]3CCN(C)C[C@H]3C)c2c1C 107072101 SMXHBZICMASRAO-ZWNOBZJWSA-N 304.463 3.085 0 40 DGAB Cc1ccccc1OCC(=O)n1cc(C(=O)O)c2ccccc21 216722283 FSUDMCCWMOJWKV-UHFFFAOYSA-N 309.321 3.367 0 40 DGAB COc1ccc(CC(=O)NCCOc2cccc(C)c2C)cc1 223943151 VNWLBEQLVYGISC-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCc2nc3cc(C(=O)O)ccc3[nH]2)C1 225296493 YIQDNJZAJZLZHV-CHWSQXEVSA-N 315.417 3.172 0 40 DGAB COc1ccc(NC(=S)N[C@@H](C)c2ccc(C)cc2)cn1 225471143 HXKZTFOYEFIQSG-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB COc1cc(NC(=O)c2ccc(F)cc2)cc2sc(N)nc12 226310018 FLDURDPXHYIVHH-UHFFFAOYSA-N 317.345 3.279 0 40 DGAB CCN1CCC[C@H]1CN(Cc1cccs1)C[C@H]1CCOC1 249697133 UKUKYVWIMRXJCB-CVEARBPZSA-N 308.491 3.071 0 40 DGAB O=C(CCc1ccccc1)NCCn1cc(-c2ccccc2)cn1 253471230 BOOTWWSCMCLULL-UHFFFAOYSA-N 319.408 3.299 0 40 DGAB Cc1cc([C@H]2CN(C(=O)CCC3CCCC3)CCO2)ccn1 257299859 RRYNZCVKRQBVJI-QGZVFWFLSA-N 302.418 3.260 0 40 DGAB Cc1ccc(CC(=O)N2CCn3c(-c4ccco4)cnc3C2)cc1 306136497 PVDIZZHYWWWHRA-UHFFFAOYSA-N 321.380 3.036 0 40 DGAB O=C(Cc1cccs1)NCc1nccnc1-c1cccs1 575621348 VLKZRSCNEMQSRV-UHFFFAOYSA-N 315.423 3.126 0 40 DGAB Cc1cccc(CO[C@@H]2CSC3(C2)CN(CC2CCC2)C3)n1 585105348 UTSRXMIHHBQAIJ-KRWDZBQOSA-N 318.486 3.267 0 40 DGAB CC(C)c1nocc1C(=O)N1CCC(c2cscn2)CC1 585123831 CYWMHUDCSGOAAS-UHFFFAOYSA-N 305.403 3.274 0 40 DGAB FC(F)(F)c1ccc2nnc(C(F)(F)Br)n2c1 1848350271 GKHMBILUKXTZPE-UHFFFAOYSA-N 316.027 3.192 0 40 DGAB Cc1cc(N2CCC[C@@H](NC(=O)C3CC3)C2)nc2ccccc12 1888873337 GTSBDFJVMBUQEQ-OAHLLOKOSA-N 309.413 3.038 0 40 DGAB O=C1N[C@H](c2ccc(Br)cc2)Nc2ccccc21 293921 MNZHDYUFCVJFHW-CYBMUJFWSA-N 303.159 3.303 0 40 DGAB CCC(CC)COC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccccc1 354249 XKSSAJDZUIRIGX-MRXNPFEDSA-N 316.401 3.294 0 40 DGAB CC(=O)Nc1cc(C(=O)OCc2ccc(F)cc2)ccc1C 482504 ZSFZGOFLZIKYTB-UHFFFAOYSA-N 301.317 3.450 0 40 DGAB COc1cccc(OC)c1C(=O)NC1C2CC3CC(C2)CC1C3 559502 ZTSJDLMBNKFGMT-UHFFFAOYSA-N 315.413 3.258 0 40 DGAB CCOc1cc(/C=C/C(=O)O)cc(Br)c1OCC 586092 VJGIGNJHZDHJQK-AATRIKPKSA-N 315.163 3.344 0 40 DGAB CC[C@@H](C(=O)OCCOCCN(CC)CC)c1ccccc1 2017416 DDVUMDPCZWBYRA-QGZVFWFLSA-N 307.434 3.082 0 40 DGAB biogenic,in-man COCCn1c(-c2ccc(F)cc2)nc2nc3ccccc3nc21 2435740 TXNZGKIYBLSMSK-UHFFFAOYSA-N 322.343 3.432 0 40 DGAB C[C@@H]1CCc2c(sc(NC(=O)c3ccco3)c2C(=O)O)C1 2679576 BCNYNLZUUAPJGS-MRVPVSSYSA-N 305.355 3.416 0 40 DGAB O=C(CSc1nnc2ccccn12)Nc1ccc(Cl)cc1 2890726 LAMUCTVIQHFELF-UHFFFAOYSA-N 318.789 3.114 0 40 DGAB COc1ccccc1NC(=O)[C@H](C)OC(=O)c1ccc(C)cc1 3511322 PYGFXUJNXDEFLW-ZDUSSCGKSA-N 313.353 3.188 0 40 DGAB COc1ccc(NC(=O)c2cccnc2SC)c(OC)c1 3517148 RADNIXHWLHNJNV-UHFFFAOYSA-N 304.371 3.073 0 40 DGAB COc1cc(OC)cc(C(=O)N[C@@H](C)c2ccc(F)cc2)c1 3614546 JPSYYJNTEARLSC-NSHDSACASA-N 303.333 3.334 0 40 DGAB Cc1ccc(C)c([C@H]2N[C@@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 4040466 GINHWNMIJHCFEI-QZTJIDSGSA-N 320.392 3.473 0 40 DGAB biogenic Clc1cc2c(cc1CSc1ncnc3nc[nH]c13)OCO2 4248576 QAZFULHMFFORLF-UHFFFAOYSA-N 320.761 3.027 0 40 DGAB COC(=O)COc1ccc2oc(=O)c(-c3ccccc3)c(C)c2c1 4340600 CPROFLKXCPXQFN-UHFFFAOYSA-N 324.332 3.320 0 40 DGAB biogenic COc1ccc2o/c(=N\O)c(C(=O)Nc3cccc(C)c3)cc2c1 4676423 OLYCWMRBXXJQSU-ZZEZOPTASA-N 324.336 3.292 0 40 DGAB Cc1ccccc1CN1CCC[C@H](C(=O)N2CCCCC2)C1 4746256 TUUINEWAZSNRQR-SFHVURJKSA-N 300.446 3.220 0 40 DGAB CCOc1cc([C@@H]2N(C)C(=O)c3ccccc3N2C)ccc1O 4853779 ATAFWCLHDGJOBL-KRWDZBQOSA-N 312.369 3.012 0 40 DGAB COc1ccccc1Nc1nc(NC(C)C)nc(NC(C)C)n1 5255728 QPZQURRROAOSDX-UHFFFAOYSA-N 316.409 3.264 0 40 DGAB COP(=O)(OC)[C@@H](Nc1nonc1C)c1ccccc1F 5537561 SDBHUJTTWBZAQV-GFCCVEGCSA-N 315.241 3.114 0 40 DGAB c1coc(CNc2nc3sc4c(c3c3ncnn23)CCC4)c1 5555886 PITUVJBJDLBGPD-UHFFFAOYSA-N 311.370 3.033 0 40 DGAB C[C@H]1C/C(=N\NC(=O)[C@H]2COc3ccccc3O2)CC(C)(C)C1 5786161 ZAMPSNTUFPSGHD-WMSDYBNISA-N 316.401 3.145 0 40 DGAB Nc1nc(-c2ccc(Cl)cc2)nn1C(=O)c1ccc(F)cc1 6760499 ZLOHNTPRULKTSC-UHFFFAOYSA-N 316.723 3.008 0 40 DGAB CCOc1ccc(C[C@H]2SC(=O)N(CC)C2=O)c(OCC)c1 6952945 NMCRTNRKCDIITI-CQSZACIVSA-N 323.414 3.110 0 40 DGAB CCc1cc2c(CN3CCCCCC3)cc(=O)oc2cc1O 7378348 BGJHHAKNCMVAMY-UHFFFAOYSA-N 301.386 3.437 0 40 DGAB Cc1cccc(C)c1NC(=O)CN(C)C(=O)C1CCCCC1 7405357 XYQCTOIXBHIFSR-UHFFFAOYSA-N 302.418 3.281 0 40 DGAB O=C1c2ccccc2N[C@@H](c2cccs2)N1C[C@@H]1CCCO1 9477548 ISYQCVHASZADHP-BLLLJJGKSA-N 314.410 3.494 0 40 DGAB Cc1cc(CNC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1F 10552351 JSJCCZHCJPHGRN-UHFFFAOYSA-N 309.344 3.454 0 40 DGAB CCOc1ccccc1C(=O)Nc1ccc2c(c1)OCCCO2 11758744 RVRVZZUUEGNJRC-UHFFFAOYSA-N 313.353 3.499 0 40 DGAB O=C(Nc1cc(Cl)ccc1N1CCCCC1)c1cnccn1 12513977 MIXKLHCTBSCSOE-UHFFFAOYSA-N 316.792 3.373 0 40 DGAB CC[C@@H](C(=O)Nc1ccc(-n2cccn2)nc1)c1ccccc1 12522601 UHSZBGHWGMRSOZ-MRXNPFEDSA-N 306.369 3.400 0 40 DGAB Cc1cnc(NC(=O)c2ccccc2OC[C@H]2CCCO2)s1 12778304 URCMHTHXWXUEQG-GFCCVEGCSA-N 318.398 3.262 0 40 DGAB Cc1nc(S[C@H]2C[C@H](C)OC2=O)c2c3c(sc2n1)CCC3 14076381 OMXJHQIYRJEMIY-CPCISQLKSA-N 320.439 3.285 0 40 DGAB O=C(c1ccc2c(c1)OCO2)N1CC=C(c2ccccc2)CC1 15480306 WDERSLHQZWAABY-UHFFFAOYSA-N 307.349 3.345 0 40 DGAB O=C(c1cc(-c2cccnc2)[nH]n1)N1CC[C@H](c2ccccc2)C1 15785511 QEDFNBLRTGKHIK-INIZCTEOSA-N 318.380 3.101 0 40 DGAB COc1ccc(OC)c([C@@H]2CCCN2C(=O)c2ccccn2)c1 15827449 QSNRUOYGYIPMAE-INIZCTEOSA-N 312.369 3.076 0 40 DGAB COc1ccc2c(c1)C=C(C(=O)NCCc1ccccc1)C=CO2 15838794 FAHLTNDDRHECCL-UHFFFAOYSA-N 321.376 3.344 0 40 DGAB biogenic Cn1cc(C(=O)N[C@@H]2CCSc3ccc(Cl)cc32)cn1 16299448 UBTHSZGBJHWRJZ-GFCCVEGCSA-N 307.806 3.040 0 40 DGAB CCONC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1 17821456 LLNUOCSTGCQABH-UHFFFAOYSA-N 307.353 3.221 0 40 DGAB CC(C)C(=O)N[C@H](N1CCCCCC1)C(Cl)(Cl)Cl 19315826 FSWTWAIXIOQSQN-LLVKDONJSA-N 315.672 3.331 0 40 DGAB COc1cc(C)cc(OC)c1OCC(=O)NC1CCCCCC1 21041410 ZNBGJEDOAARGQY-UHFFFAOYSA-N 321.417 3.230 0 40 DGAB COc1ccccc1Nc1nn(CN2CCCC2)c(=S)s1 21319000 VYJLFVIEQSBLSL-UHFFFAOYSA-N 322.459 3.480 0 40 DGAB CCOc1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1OC 23076442 RWMRWGHAYWOYKJ-ZDUSSCGKSA-N 315.369 3.500 0 40 DGAB C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)c1ccc2[nH]nnc2c1 23504772 XBCFDQSZPPREQK-VIFPVBQESA-N 316.311 3.069 0 40 DGAB Cc1cc(O[C@H](C)C(=O)Nc2nonc2C)cc(C)c1Cl 27664720 JVQXNHDZFILDMV-SNVBAGLBSA-N 309.753 3.054 0 40 DGAB CCn1cc(C(=O)NCc2cccc(C(F)(F)F)c2)c(C)n1 28576977 NWLLROXFEUYMAT-UHFFFAOYSA-N 311.307 3.160 0 40 DGAB Cc1ccc(OCCNC(=O)[C@@H](C)Oc2ccccc2C)cc1 30849362 QXHKHZJFFORSQF-MRXNPFEDSA-N 313.397 3.266 0 40 DGAB CCOc1ncccc1CNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C 31325380 DTMBXSZRNQNPJF-GJZGRUSLSA-N 302.418 3.335 0 40 DGAB O=C(NCCN1CCc2ccccc2C1)c1ccccc1Cl 31337866 YNSIFMWWZIBUAG-UHFFFAOYSA-N 314.816 3.128 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCC[C@@H]2c2nnc3ccccn23)o1 31500925 NBZYBGZGHRXOOX-BOLDSZDNSA-N 322.368 3.008 0 40 DGAB Cc1cc([C@@H]2CCCN2CC(=O)N[C@@H](C)c2cccs2)no1 34797437 CEMBKFZTSNFMHJ-JSGCOSHPSA-N 319.430 3.059 0 40 DGAB COC(=O)[C@@H](Cc1ccccc1)NCc1ccc(Cl)cc1 34860010 FPQSCPSMHRZFOM-MRXNPFEDSA-N 303.789 3.214 0 40 DGAB O=C(O)c1cccc(CNC(=O)c2ccc(Cl)cc2F)c1 37716473 WABUIBASGFWNNJ-UHFFFAOYSA-N 307.708 3.107 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)c(C)c1 40525366 AHTRHSQOBJERJM-INIZCTEOSA-N 320.339 3.437 0 40 DGAB CCNC(=O)c1cccc(CNC(=O)C[C@H](C)c2ccccc2)c1 40536111 MKALJZOAVRGKKR-HNNXBMFYSA-N 324.424 3.246 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1cnn2c(-c3ccccc3)ccnc12 41613292 MYLNGRYZIGHPMO-CQSZACIVSA-N 320.396 3.411 0 40 DGAB Cc1nn(C[C@@H](O)c2ccc(Cl)cc2)c(=O)c2ccccc12 42755897 RFWUUQJGINGSNT-MRXNPFEDSA-N 314.772 3.092 0 40 DGAB O=S(=O)(CCN1CCC[C@@H]1c1ccsc1)c1ccccc1 46088168 LALXIGIVGOFZCF-MRXNPFEDSA-N 321.467 3.359 0 40 DGAB CCN(CC)CCn1cc(NC(=O)c2ccc(Cl)cc2)cn1 58180548 CWIHNMBMGRPRKE-UHFFFAOYSA-N 320.824 3.131 0 40 DGAB Cc1c([C@H](C)NC(=O)[C@@H](C)Oc2ccccc2Cl)cnn1C 58245062 RFQOVKPPSLCBJC-CMPLNLGQSA-N 321.808 3.027 0 40 DGAB Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N1CCC(C)CC1 58308439 SFGQRTFDDQCSKP-UHFFFAOYSA-N 315.417 3.151 0 40 DGAB CCCN(CCc1ccccn1)C(=O)/C=C/c1csc(C)n1 61435302 OSCBGYATZZXVSA-BQYQJAHWSA-N 315.442 3.341 0 40 DGAB O=C(Nc1cccc(CNCc2cc[nH]n2)c1)c1cccc(F)c1 66973850 FDRJKTCKXWYUBP-UHFFFAOYSA-N 324.359 3.091 0 40 DGAB Cc1ccc(S(=O)(=O)N(C)[C@H](C)c2ccccn2)c(C)c1 68347627 NWWSBBOZQLEZJJ-CQSZACIVSA-N 304.415 3.080 0 40 DGAB COC[C@@H](C)NC(=O)N1CCC(c2cc3ccccc3[nH]2)CC1 68563249 JMJOVQOVNAIYPO-CYBMUJFWSA-N 315.417 3.092 0 40 DGAB COc1ccc(CC2CCN(C(=O)c3cc(C)no3)CC2)cc1 69440494 DEOCQMVSKVSOAG-UHFFFAOYSA-N 314.385 3.087 0 40 DGAB Cc1c(C(=O)NC2c3ccccc3Oc3ccccc32)cnn1C 69778169 MEADTDKDMPHSTL-UHFFFAOYSA-N 319.364 3.354 0 40 DGAB O=C(Nc1cccnc1)c1ccccc1OCc1cscn1 71036867 OKAUMYOBUOGVHV-UHFFFAOYSA-N 311.366 3.369 0 40 DGAB COC(=O)c1nc(Cc2ccccc2Cl)n2ccccc12 71372474 LQCSLQSTWKZSRP-UHFFFAOYSA-N 300.745 3.365 0 40 DGAB in-vitro O=C(c1cc2c(F)cccc2[nH]1)N1CCO[C@@H]2CCCC[C@@H]21 71821214 QPQDXDHOJDSODB-JKSUJKDBSA-N 302.349 3.091 0 40 DGAB CCCOc1ccc(COC(=O)Cc2cccnc2)cc1OC 71894011 QZDSQZXNCQYQDD-UHFFFAOYSA-N 315.369 3.165 0 40 DGAB CC(C)c1ccc([C@H]2C[C@@H]2C(=O)N2CCc3[nH]ncc3C2)cc1 72293468 BQLILBXPJAZUBN-SJORKVTESA-N 309.413 3.222 0 40 DGAB CC[C@H](NC(=O)NCc1cccc(N(C)C)c1)c1ccncc1 73941178 RLYLJKGNHIDVAV-KRWDZBQOSA-N 312.417 3.098 0 40 DGAB CN1CCCc2ccc(NC(=O)COc3ccc(F)cc3)cc21 74838684 YRMDHQLRMVWKTR-UHFFFAOYSA-N 314.360 3.226 0 40 DGAB CC(C)c1nsc(N2CCN(CCc3ccccc3)CC2)n1 80766104 XHBVSCXOSHJASV-UHFFFAOYSA-N 316.474 3.026 0 40 DGAB Cc1c(C(=O)N[C@H](C)c2ccc(-c3cccnc3)cc2)cnn1C 81001809 TXYPFDPMLFGAGI-CYBMUJFWSA-N 320.396 3.282 0 40 DGAB CCn1cc([C@@H]2OCC[C@H]2CN[C@@H](C)c2cccc(F)c2)cn1 83843425 ZBSIIEMBYXGQGV-DHSIGJKJSA-N 317.408 3.471 0 40 DGAB Cc1ccc(CNC(=O)C2CCCC2)c(OC[C@H]2CCOC2)c1 87457142 SPQJQSIWBDIUFL-HNNXBMFYSA-N 317.429 3.217 0 40 DGAB C[C@@H](C[C@H](O)c1ccccc1)Nc1ccccc1S(C)(=O)=O 89895031 UITSKOJSXIANDX-BBRMVZONSA-N 319.426 3.014 0 40 DGAB CCS(=O)(=O)c1ccc(CNc2ccncc2Cl)cc1 95464280 DMCATQXZNPKYAG-UHFFFAOYSA-N 310.806 3.141 0 40 DGAB O=C(CSc1cccc(F)c1)Nc1nnc(-c2ccco2)o1 95966690 MDILEDSHHIAIAG-UHFFFAOYSA-N 319.317 3.200 0 40 DGAB C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)OC2(CCCC2)O3)CCO1 95988677 QXISRXVSBUBJAN-STQMWFEESA-N 317.385 3.482 0 40 DGAB CN(C)[C@@H]1CC2(CCN(C(=O)c3ccc[nH]3)CC2)c2ccccc21 96079191 JLPIOWKDMCVGBL-GOSISDBHSA-N 323.440 3.195 0 40 DGAB CC(=O)N1CCC2(CCCN(Cc3ccc(C)cc3)C2)CC1 96158517 CZDNHWQKKZPORB-UHFFFAOYSA-N 300.446 3.220 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3Cc2ccccn2)s1 96184717 RBRMQJXSLKLEAV-ZWKOTPCHSA-N 313.470 3.300 0 40 DGAB O=C(c1ccccc1)N1CCC2(CC1)CNc1ccc(F)cc12 96261817 JDVXVWMGKCUFAB-UHFFFAOYSA-N 310.372 3.425 0 40 DGAB CS[C@H]1CCCC[C@@H]1NC(=O)c1ccc(F)c(NC(C)=O)c1 96416553 DXFYJLWMNHAJBJ-ZFWWWQNUSA-N 324.421 3.188 0 40 DGAB COc1cc(C)c(C)cc1S(=O)(=O)Nc1ccccc1C 96659133 YLQGBRTYUTZCQN-UHFFFAOYSA-N 305.399 3.421 0 40 DGAB CC(C)OC[C@H](O)CN(Cc1c(F)cccc1Cl)C1CC1 96999605 VBOWNYKGOAVAEP-CYBMUJFWSA-N 315.816 3.229 0 40 DGAB CC[C@H](NC(=O)N(C)C[C@@H](O)C(F)(F)F)c1ccc(C)cc1 97114135 JUVFYYXJNMANRS-QWHCGFSZSA-N 318.339 3.011 0 40 DGAB COc1ccc(N/C=C\c2nnnn2-c2ccc(C)cc2)cc1 100209628 KAXSRRKPAUJSQJ-QXMHVHEDSA-N 307.357 3.062 0 40 DGAB CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)Nc1ccccc1F 101395736 HZGQVIXLKQQDIO-JBNJFFQFSA-N 322.405 3.022 0 40 DGAB Cc1ncsc1CNS(=O)(=O)c1ccc(C(C)(C)C)cc1 104745237 OVPWVWKIVNFYFE-UHFFFAOYSA-N 324.471 3.228 0 40 DGAB CC(C)n1cc(C(=O)N2CCc3c([nH]c4ccccc34)C2)cn1 188711046 FGXLHXGJEXMQFA-UHFFFAOYSA-N 308.385 3.144 0 40 DGAB CCOC(=O)c1cc(-c2ccc(/C=C/C(N)=O)o2)ccc1Cl 216910172 VXQUURFFLHPIFU-VMPITWQZSA-N 319.744 3.275 0 40 DGAB CCCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CC 223236439 CBKLCQQCGWDGBS-CYBMUJFWSA-N 324.852 3.383 0 40 DGAB CCC(=O)N(Cc1ccccc1C)[C@@H](CC)C(=O)NCC(C)C 224591563 FQHZLYXZPMJTJO-KRWDZBQOSA-N 318.461 3.284 0 40 DGAB C[C@@H]1CCCN(C[C@H](O)CO[C@@H]2C(C)(C)[C@H]3CC[C@@]2(C)C3)C1 253479982 UGAJKEUNTZQXSB-RDHIYWLCSA-N 309.494 3.311 0 40 DGAB Cc1cc2cc(C(=O)N3CC[C@H]4NCCCC[C@H]4C3)ccc2o1 257219687 DHRQLMBGMJIQHJ-DOTOQJQBSA-N 312.413 3.345 0 40 DGAB c1cc2nccc(C[C@@H]3CCCN(Cc4ncc[nH]4)CC3)c2cn1 257249505 JIRNCGZKMCAVBI-OAHLLOKOSA-N 321.428 3.198 0 40 DGAB COCCN1CCCC[C@H]1c1csc(Nc2ccccn2)n1 257301253 RXRIFQXDUZEBCI-AWEZNQCLSA-N 318.446 3.455 0 40 DGAB O=C(c1ccc(F)c(Cl)c1)N1CCO[C@@H](c2ccncc2)C1 257325965 WVFCLVQEEWYSLM-OAHLLOKOSA-N 320.751 3.088 0 40 DGAB CC(=O)OCC(=O)c1ccc(COc2cc(F)ccc2F)cc1 575358061 HCRVQJAQYISOLM-UHFFFAOYSA-N 320.291 3.290 0 40 DGAB CO[C@@](C)(C(=O)N[C@H](C)c1ncccc1F)c1ccccc1F 585087976 FDFARJVGOPTWDB-PIGZYNQJSA-N 320.339 3.099 0 40 DGAB Cc1ccccc1C(=O)N1CC[C@@]2(CCCN2CC(C)C)C1 585099335 GEKFAFOINNZBSE-IBGZPJMESA-N 300.446 3.332 0 40 DGAB CC[C@H](NC(=O)C[C@@H]1NC(=O)c2ccccc21)c1ccccc1 585121515 RJBXEJOFFDJQLE-IRXDYDNUSA-N 308.381 3.129 0 40 DGAB COc1cccc([C@@H]2C[C@@H]3CN(Cc4ccccc4)C(=O)[C@@H]32)c1 585138389 MJMAYUJVLPINSO-NEWSRXKRSA-N 307.393 3.457 0 40 DGAB Cc1cc(Nc2ncc(C)s2)nc([C@H]2CCCN(C)C2)n1 643551159 YWYQXMLVTCEIOT-LBPRGKRZSA-N 303.435 3.103 0 40 DGAB CC[C@H](NC(=O)[C@H](CC(C)C)c1ccc(Cl)cc1)C(=O)O 1573942263 BKQLSRTXSSUEHY-KGLIPLIRSA-N 311.809 3.449 0 40 DGAB CO[C@H](CNc1ncc(Br)cn1)c1ccsc1 1775970490 OIXDQJYABCOICY-SNVBAGLBSA-N 314.208 3.100 0 40 DGAB Cc1cccc(C(=O)N(C)c2nnc(-c3ccncc3)s2)c1 1356641 NMJSSDXTCIRPPN-UHFFFAOYSA-N 310.382 3.185 0 40 DGAB C1CC[C@H](OCC2(CO[C@H]3CCCCO3)CCCCO2)OC1 1632790 IDTOTNQBUSKSAI-HOTGVXAUSA-N 314.422 3.012 0 40 DGAB CCCOC(=O)c1c(N)n(CCC)c2nc3ccccc3nc12 2418498 HSTHZWFUBBAYMW-UHFFFAOYSA-N 312.373 3.144 0 40 DGAB COc1ccc(OCC(=O)N[C@@H](C)CCc2ccccc2)cc1 3209366 RCZKZZWDPBJWCV-HNNXBMFYSA-N 313.397 3.212 0 40 DGAB O=C(COc1ncnc2ccccc12)c1c[nH]c2ccccc12 3601858 FKFQTRKGFJQEFU-UHFFFAOYSA-N 303.321 3.373 0 40 DGAB Cc1c(C(=O)C(=O)N2[C@@H](C)CCC[C@@H]2C)c2ccccc2n1C 4062414 HGWUDJQFEMKJJU-STQMWFEESA-N 312.413 3.459 0 40 DGAB N=C1S/C(=C\c2ccc(F)cc2)C(=O)N1c1nccs1 4291909 UHXQARLDCUMSIY-IYTUHVGOSA-N 305.359 3.338 0 40 DGAB COc1ccccc1N1C[C@@H](c2nc3ccc(C)cc3[nH]2)CC1=O 4370190 FZUNXNHTWAMGOI-ZDUSSCGKSA-N 321.380 3.400 0 40 DGAB Cc1sc(NC(=O)c2cccc(Cl)c2)c(C(N)=O)c1C 4502414 SEXVNVPLIRRKTD-UHFFFAOYSA-N 308.790 3.370 0 40 DGAB CC(C)[C@@H]1CCC[C@H](C)[C@H]1NCCOC(=O)c1ccc(N)cc1 4825144 SBOOCUVWKAXDSY-JCGIZDLHSA-N 318.461 3.476 0 40 DGAB Cc1ccc2[nH]c(=O)c(CN(C)C(=O)C3CCCCC3)cc2c1 5053667 HDOFQQLOTLDYPT-UHFFFAOYSA-N 312.413 3.375 0 40 DGAB O=C(CCN1CCCC1)NCC1(c2ccccc2)CCCC1 5477636 LFVONXCZDUWXLK-UHFFFAOYSA-N 300.446 3.101 0 40 DGAB Cc1c(C)c2ccc3c(c2oc1=O)CN(c1cccnc1)CO3 6660889 BGFLMCHXCUMEHK-UHFFFAOYSA-N 308.337 3.161 0 40 DGAB O=S1(=O)N=C(SCc2ccccc2F)Nc2ccccc21 6918551 HJTAOBTYHZRFCQ-UHFFFAOYSA-N 322.386 3.229 0 40 DGAB CC[C@H](Nc1ccc(C)c(C)c1)C(=O)Nc1nnc(C)s1 7460244 PYZOCNPCXJRIIS-ZDUSSCGKSA-N 304.419 3.293 0 40 DGAB COc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C(C)=O)cc1O 7616092 OGQRMMXFVUCJRL-QGZVFWFLSA-N 324.380 3.407 0 40 DGAB CN(Cc1nc2ccccc2s1)S(=O)(=O)c1cccs1 8058519 AVURQPKSKXPVMP-UHFFFAOYSA-N 324.452 3.179 0 40 DGAB O=C(NC1CCCCCCC1)[C@@H]1CC(=O)N(C2CCCC2)C1 8234710 UQEMAMXHMIMRAJ-CQSZACIVSA-N 306.450 3.007 0 40 DGAB O=Cc1cn(CC(=O)Nc2ccccc2)nc1-c1ccccc1 8737712 SUFPSLKDFHCUKP-UHFFFAOYSA-N 305.337 3.001 0 40 DGAB O=C(Nc1ccc(SCc2cccnc2)cc1)c1cnccn1 8747304 NZOOCBVVKGIJSR-UHFFFAOYSA-N 322.393 3.416 0 40 DGAB COc1ccc(C(C)=O)cc1CSc1nnc(C)n1C1CC1 9218240 UHIQOBRUCCQLSK-UHFFFAOYSA-N 317.414 3.425 0 40 DGAB CC(=O)c1ccccc1NC(=O)CNc1ccc(C)c(F)c1 9450542 QCWFEYLTWLIWBD-UHFFFAOYSA-N 300.333 3.387 0 40 DGAB Cc1ccc(C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)cc1 12648610 WOSCOMOICKCSAJ-CQSZACIVSA-N 307.390 3.105 0 40 DGAB C[C@@H](NC(=O)CSc1ccccc1C(=O)O)c1cccs1 12978336 KFLMVIJOTVAHIH-SNVBAGLBSA-N 321.423 3.416 0 40 DGAB COc1ccccc1OCC(=O)N(C)Cc1cccc(Cl)c1 13071460 VQOPSOTUCONHRI-UHFFFAOYSA-N 319.788 3.386 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N(C)Cc1ccccc1 14139180 NKFLWKRXYDREGC-UHFFFAOYSA-N 321.380 3.153 0 40 DGAB COc1ccccc1NC(=O)c1cc2c(C)nn(C)c2s1 14162773 BRHBZACEUONQCZ-UHFFFAOYSA-N 301.371 3.204 0 40 DGAB COc1ccc(NS(=O)(=O)c2cc(F)ccc2F)c(C)c1 14223721 FOFCKADLUAHMCL-UHFFFAOYSA-N 313.325 3.083 0 40 DGAB COc1ccc(/C=C2\N=C(c3ccc(Cl)cc3)NC2=O)cc1 16215903 RYFJFTYNPUHJEL-GDNBJRDFSA-N 312.756 3.266 0 40 DGAB CCC1(CC)Cc2ccccc2-c2nc(CN(C)C)[nH]c(=O)c21 16976979 UWCUCWVAFYOMSL-UHFFFAOYSA-N 311.429 3.112 0 40 DGAB CCOC(=O)Nc1ccc(C(=O)N2CCc3ccccc3C2)cc1 17322040 GBHFIUFZCCFJAT-UHFFFAOYSA-N 324.380 3.454 0 40 DGAB COc1ccc(CN2CCN(C[C@H]3C[C@@H]4C=C[C@H]3C4)CC2)cc1 19359700 XSVHECDLKBVVBE-CEXWTWQISA-N 312.457 3.025 0 40 DGAB CCCOc1c(CNCC)cc(Br)cc1OC 20934184 WOBWLTYABQKEER-UHFFFAOYSA-N 302.212 3.356 0 40 DGAB Cc1ccc(CC(=O)NCc2ccccc2-n2ccnc2)cc1C 22524983 ZTDNXHXFRXBEQJ-UHFFFAOYSA-N 319.408 3.348 0 40 DGAB O=C(Nc1cccc(N2CCCC2=O)c1)c1ccc(Cl)o1 26795035 APZCIBYLKIHXNR-UHFFFAOYSA-N 304.733 3.312 0 40 DGAB Brc1c(CSc2ncccn2)nc2ccccn12 27029359 KUJPSSJBANMRPX-UHFFFAOYSA-N 321.203 3.179 0 40 DGAB COc1cccc(SCC(=O)N2CCc3sccc3C2)c1 27663145 AKLXVURKQDIIRE-UHFFFAOYSA-N 319.451 3.434 0 40 DGAB CC[C@@H](Oc1ccc2c(c1)OCO2)C(=O)Nc1ccccc1F 27978158 HWOIBRAALWLWPI-CQSZACIVSA-N 317.316 3.351 0 40 DGAB CCc1nnc(NC(=O)/C=C/c2ccc(OC)c(Cl)c2)s1 28931898 LTBQUSGJNWSMQH-FNORWQNLSA-N 323.805 3.414 0 40 DGAB Cc1ccc(-c2nc(Cn3cnc4ccccc4c3=O)cs2)o1 32322737 GVQDOHBSCMPBFQ-UHFFFAOYSA-N 323.377 3.470 0 40 DGAB CCCn1nnc(NCc2cc(Cl)cc(Cl)c2OC)n1 32617029 SPRLKEUBEQKKLY-UHFFFAOYSA-N 316.192 3.011 0 40 DGAB Cc1cc(N2CCN(Cc3ccccc3)CC2)nc(C(C)C)n1 32717153 UCNNIVSWKFASSZ-UHFFFAOYSA-N 310.445 3.231 0 40 DGAB COc1ccc(C)cc1NC(=O)c1ccn(-c2ccccc2)n1 33147903 NCHHHCKOEZODNT-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB COc1cccc(NC(=O)c2c3c(nc4onc(C)c24)CCC3)c1 36359066 PRJCHRVHQIKMGM-UHFFFAOYSA-N 323.352 3.281 0 40 DGAB O=C(C[C@@H]1C=CCC1)NCc1ccc(OC[C@H]2CCCO2)cc1 36394572 QBGMZNFXTRGRGB-CRAIPNDOSA-N 315.413 3.217 0 40 DGAB CCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCCC(C)C 38500688 JJSLCWVNOZHTKB-UHFFFAOYSA-N 319.380 3.186 0 40 DGAB Cc1oc(C)c(C(=O)N(C)Cc2ccc3c(c2)OCO3)c1C 39530155 LOSUPILKZMTZFP-UHFFFAOYSA-N 301.342 3.206 0 40 DGAB CCCOc1ccc(C(=O)Nc2nnc(SC)s2)cc1 39989052 IVOLTCQJGXPCAS-UHFFFAOYSA-N 309.416 3.301 0 40 DGAB CCN(CC)CCCNC(=O)Nc1cc(Cl)ccc1F 40023799 AZWKVUYRKPTIFZ-UHFFFAOYSA-N 301.793 3.333 0 40 DGAB Cc1cccc(OCCNC(=O)Cc2cccc3cccnc23)c1 40034506 RIMXYRAPWYHZIN-UHFFFAOYSA-N 320.392 3.281 0 40 DGAB CN(C)C(=O)CCN1CCc2sccc2[C@@H]1c1cccs1 40511228 QAVWJZJYFJLEOB-MRXNPFEDSA-N 320.483 3.235 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@H]2CCSc3ccccc32)no1 43166512 QDENAEYMQBTVEH-AWEZNQCLSA-N 317.414 3.362 0 40 DGAB Cc1cc([C@H]2CCCN2C(=O)NCCc2ccsc2)on1 44970249 DFDDKLWPBIMOHR-CYBMUJFWSA-N 305.403 3.134 0 40 DGAB O=S(=O)(c1cccc(Cl)c1)N(Cc1ccncc1)C1CC1 48332330 NVYBOWDMBLJNNA-UHFFFAOYSA-N 322.817 3.088 0 40 DGAB C[C@H]1CCCN(CCCNC(=O)N[C@@H](C)Cc2ccsc2)C1 52524809 MGGATPQORPPXAI-GJZGRUSLSA-N 323.506 3.100 0 40 DGAB C[C@H](Nc1ccc2c(c1)OCCCO2)c1nc(C2CC2)no1 56143075 DSDBRVFRHFCYPW-JTQLQIEISA-N 301.346 3.281 0 40 DGAB O=C(O[C@@H](C(=O)N1CCCC1)c1ccccc1)[C@@H]1CC=CCC1 61142300 JFZCBCLPZJQQJH-IAGOWNOFSA-N 313.397 3.250 0 40 DGAB COc1ccccc1Cc1nnc(SCc2ccccn2)o1 66257876 UIFQUINLWRTOSP-UHFFFAOYSA-N 313.382 3.356 0 40 DGAB Cc1ccn2ncc(C(=O)N3CC[C@@H](C)c4ccccc43)c2n1 68670431 LQZMWPJOXSKXKI-GFCCVEGCSA-N 306.369 3.192 0 40 DGAB CC(=O)c1ccc(OCC(=O)N2[C@H](C)CCC[C@H]2C)cc1F 69698300 WHMJMPZSNQICDU-VXGBXAGGSA-N 307.365 3.197 0 40 DGAB Cc1ccc(NC(=O)N(C)[C@H](C)CNC(=O)OC(C)(C)C)cc1 69740849 LDMMBIJEXOBTAC-CYBMUJFWSA-N 321.421 3.372 0 40 DGAB Cc1onc(-c2cc(Br)ccc2F)c1C(=O)O 70426679 CBCPKEXNLUQUQN-UHFFFAOYSA-N 300.083 3.250 0 40 DGAB O=C(NC[C@H](O)Cc1ccccc1)Nc1ccccc1Cl 70639450 HOEYEMZCJYOBCX-CYBMUJFWSA-N 304.777 3.065 0 40 DGAB COc1ccc(C2(c3nnc([C@@H]4C[C@H]4C)o3)CCOCC2)cc1 71889987 RJQXECAXZPDMDA-IUODEOHRSA-N 314.385 3.298 0 40 DGAB Cc1nc2c3ccccc3nc(N(C)[C@@H](C)c3ccccn3)n2n1 71904129 FCSDKCHPCICSID-LBPRGKRZSA-N 318.384 3.178 0 40 DGAB Cc1nn(C)cc1CCC(=O)Nc1ccc(C(F)(F)F)cc1 71908497 FUGATLRUVLYZQA-UHFFFAOYSA-N 311.307 3.319 0 40 DGAB C[C@H](OC(=O)c1ccncc1F)C(=O)c1ccc2c(c1)CCC2 71921834 URWGXNZVGQOWLN-NSHDSACASA-N 313.328 3.138 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2ccc(C(F)(F)F)cc2)cc1 72227487 FYNFMFOMPCYPJZ-GJZGRUSLSA-N 320.314 3.429 0 40 DGAB O=C(C1CC1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 72362036 DXJNHPGHVUNJOC-HNNXBMFYSA-N 323.396 3.385 0 40 DGAB c1ccc(-c2nccc(N3CCC[C@H](c4ncc[nH]4)C3)n2)cc1 78445509 PGKNBOSRKJJHNA-HNNXBMFYSA-N 305.385 3.251 0 40 DGAB CCc1nc(CCNC(=O)N2C[C@H]3CC=CC[C@H]3C2)sc1C 78940976 WSNXZEBCWGGTRW-OKILXGFUSA-N 319.474 3.164 0 40 DGAB O=C(OC1CCN(c2ccc(Cl)nn2)CC1)c1ccsc1 78988970 XGFAVNQCELVVGL-UHFFFAOYSA-N 323.805 3.017 0 40 DGAB C[C@@H]1CN(C(=O)c2ccnc(F)c2)c2cc(Cl)ccc2O1 81335825 XDGNFMQIAZNURK-SECBINFHSA-N 306.724 3.302 0 40 DGAB CC(=O)Nc1cccc(-c2nc3ccc(C)cn3c2CN(C)C)c1 82238085 YLYYOAISEOJGFN-UHFFFAOYSA-N 322.412 3.330 0 40 DGAB C/C=C/CCNC(=O)N(C)[C@H](C)c1ccc([S@](C)=O)cc1 83228581 CTFREKIFFAJWOS-NPOVVCKISA-N 308.447 3.093 0 40 DGAB FC(F)(F)CCN(Cc1nc(-c2ccoc2)no1)CC1CC1 84138638 RVICSQCKQFXGHG-UHFFFAOYSA-N 315.295 3.494 0 40 DGAB O=C(COc1cccnc1F)Nc1ccc(C(F)(F)F)cc1 84357643 OMAZLIJOGFWCOF-UHFFFAOYSA-N 314.238 3.257 0 40 DGAB CC(=O)Nc1cc(NCc2nnsc2Cl)c(F)cc1F 89104312 HPDXOLWYFZDKBW-UHFFFAOYSA-N 318.736 3.040 0 40 DGAB Cn1cccc1CNC[C@H]1CCCn2cc(C(C)(C)C)nc21 89725148 GJENHFKYOGKLBQ-CQSZACIVSA-N 300.450 3.186 0 40 DGAB O=C(Nc1cc(-c2ccccc2F)no1)c1ccnc(C2CC2)n1 95958696 ZABJBTXQMHVGDO-UHFFFAOYSA-N 324.315 3.400 0 40 DGAB C[C@H](CC(=O)N(C)C)N[C@H](C)c1ccc(-c2ccncc2)cc1 95968812 WXRKGLUVLDENIU-HUUCEWRRSA-N 311.429 3.266 0 40 DGAB CCCN1CCC2(CCC(=O)N2Cc2ccc(OC)cc2)CC1 96228281 ZWXUZMOQWODCLX-UHFFFAOYSA-N 316.445 3.062 0 40 DGAB O=C([C@@H]1C[C@H]1c1cc(Cl)cc(Cl)c1)N1CCC[C@H](O)C1 96426211 DLXTZBOBKPZXQX-MELADBBJSA-N 314.212 3.080 0 40 DGAB COCc1ccccc1NC(=O)N1CCS[C@H](C(C)C)C1 96434001 HUGUGLJOHPOBAA-HNNXBMFYSA-N 308.447 3.438 0 40 DGAB CCCCO[C@H]1C[C@@H](NC(=O)c2cccnc2S)C1(C)C 96451588 VWCKTJSUPRIQMN-OLZOCXBDSA-N 308.447 3.084 0 40 DGAB C[C@@H](O)CCN(C)Cc1ccc(Br)c2cccnc12 96497173 ZURSRXBOTPUBGF-LLVKDONJSA-N 323.234 3.200 0 40 DGAB C[C@H](NCc1ncccc1C(F)(F)F)C(=O)Nc1ccccc1 97034853 IWMHPEWLZUFIGX-NSHDSACASA-N 323.318 3.217 0 40 DGAB Cc1ccc(-c2nnc(SCN3CCCCC3=O)o2)cc1C 97080521 APQSAUUURJCDOI-UHFFFAOYSA-N 317.414 3.416 0 40 DGAB COc1ccc(C(=O)Cc2cc(Br)ccn2)cc1 98175324 ISPJPEWXBIEBKO-UHFFFAOYSA-N 306.159 3.278 0 40 DGAB Cc1ccc(C)c([C@H]2CN(CCCCC(=O)O)[C@H](C)CO2)c1 181570451 GJZGDJOMMCPCAT-NVXWUHKLSA-N 305.418 3.320 0 40 DGAB CCc1nnc(CN[C@@H]2CCCC[C@H]2Oc2cccc(C)c2)o1 195570287 CSJHVPFVOKOSGG-HZPDHXFCSA-N 315.417 3.420 0 40 DGAB O=C(NC[C@@H]1CCCN1c1nccs1)c1cccc(Cl)c1 206780775 PCMKBELWRZKNDP-ZDUSSCGKSA-N 321.833 3.195 0 40 DGAB CC[C@H]1CSC2=N[C@@H](c3ccccn3)[C@@H](c3cccn3C)N21 222704142 JFDTUXYKYFEBFE-VBNZEHGJSA-N 312.442 3.400 0 40 DGAB CC[C@@H](Oc1ccccc1)C(=O)Nc1nnc(SC)s1 224518503 FOUSCTLJLJRQAA-SNVBAGLBSA-N 309.416 3.056 0 40 DGAB CCOC(=O)c1cc(NC(=S)NC(C)C)ccc1Cl 225270557 CNURMVYNYZULEE-UHFFFAOYSA-N 300.811 3.212 0 40 DGAB O=C(NC[C@@H]1CCCO1)NCC1(c2ccsc2)CCCC1 225556533 XGADIKOFMAPVHQ-AWEZNQCLSA-N 308.447 3.038 0 40 DGAB Cc1cccnc1NC(=S)NCCOc1ccccc1Cl 225780844 ZCAOGBJFCIAZFL-UHFFFAOYSA-N 321.833 3.409 0 40 DGAB Cc1cc(Nc2nc(C)c(C)s2)nc([C@@H]2CCCN(C)C2)n1 257236001 HAKSHNVEUZPTND-CYBMUJFWSA-N 317.462 3.411 0 40 DGAB CO[C@@H]1CC[C@H]2N(C(=O)COc3ccccc3F)CC[C@@]2(C)C1 257329825 XLRVNUXJXGUCFR-QBIMZIAESA-N 321.392 3.011 0 40 DGAB Cc1nccc([C@H]2CCCN(Cc3nc4ccccc4n3C)C2)n1 257340162 ZEVKWBUAFNNLKS-HNNXBMFYSA-N 321.428 3.051 0 40 DGAB CCCC[C@H](CC)CNC(=O)C(=O)NC[C@H](C)c1ccccc1 408707530 NYSFJBKKAYYBHB-HOTGVXAUSA-N 318.461 3.239 0 40 DGAB Nc1ccc(NCCc2c[nH]c3ccc(F)cc23)c(C(=O)O)c1 408712622 CGVMZZZVNISMDN-UHFFFAOYSA-N 313.332 3.242 0 40 DGAB C[C@H](Nc1cccc(C2CC(=O)NC(=O)C2)c1)C1CC(F)(F)C1 529590632 LSFDJZSOUSPVNS-JTQLQIEISA-N 322.355 3.053 0 40 DGAB CC(C)Oc1cncc(N2CCC(Cc3cccnc3)CC2)n1 534327349 OVNBBAWLJBCSHN-UHFFFAOYSA-N 312.417 3.118 0 40 DGAB CC(=O)Nc1cc(Cl)c(NC(=O)[C@@H]2CCCO2)c(Cl)c1 585125370 POZCFLAQCVYWGE-NSHDSACASA-N 317.172 3.069 0 40 DGAB Cn1cc([C@@H]2CCCN(C(=O)Cc3ccccc3Cl)C2)cn1 681289045 RISVQEGDRYRMDC-CQSZACIVSA-N 317.820 3.022 0 40 DGAB Fc1ccc(CN2CCO[C@H]3CC[C@H]2[C@@H]3OCC2CC2)cc1F 2055745984 XENKRNKQSXOPOU-BZSNNMDCSA-N 323.383 3.123 0 40 DGAB Cn1ccc(NC(=O)COC(c2ccccc2)c2ccccc2)n1 24474263 NZGKEZPNBZGMSM-UHFFFAOYSA-N 321.380 3.165 0 40 DGAB Cc1ccsc1C(=O)NCc1cccc(Cn2ccnc2)c1 24754199 GZNHWJKFDRBQPY-UHFFFAOYSA-N 311.410 3.231 0 40 DGAB Cc1cc2c(cc1C)O[C@H](C(=O)Nc1cnn(C(C)(C)C)c1)C2 79788776 UXSQXYQBSJIIBL-INIZCTEOSA-N 313.401 3.197 0 40 DGAB COc1cc(NCC[C@H]2CCCCN2)c2ncccc2c1OC 1873644 LZODSECXHSCNMZ-CYBMUJFWSA-N 315.417 3.196 0 40 DGAB Cc1nc2ccccc2nc1SCC(=O)N1CCCCCC1 2699443 ZFKDMKZXWKWKSO-UHFFFAOYSA-N 315.442 3.433 0 40 DGAB CCc1cccc2c3c([nH]c12)[C@@](CC)(CC(=O)OC)OCC3 1420679 CRRWJZHQYUTACF-GOSISDBHSA-N 301.386 3.471 0 40 DGAB in-vitro COC(=O)c1c(N[C@@H]2OC(=O)c3ccccc32)sc(C)c1C 4384829 PWRAWYLKDJUGIT-CYBMUJFWSA-N 317.366 3.433 0 40 DGAB CC(=O)Nc1cccc(NC(=O)COc2c(C)cccc2C)c1 6214911 XPZABGZELIJMKP-UHFFFAOYSA-N 312.369 3.279 0 40 DGAB CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)c1nnc(SC)o1 6707391 ZQSGJTCCWCBTLH-DTWKUNHWSA-N 301.412 3.403 0 40 DGAB COc1ccc(NC(=S)NCCSc2ccccc2)cn1 7368164 AAOGVYPTQDXEKD-UHFFFAOYSA-N 319.455 3.169 0 40 DGAB Cc1cccc(C)c1OC(=O)[C@H]1CC(=O)N(c2ccccc2)C1 7928714 GGQHYCQRSONYHI-HNNXBMFYSA-N 309.365 3.262 0 40 DGAB O=C1COc2cc(NC(=O)N3CCCCCC3)c(Cl)cc2N1 44272550 BRTXJZUBVPEKEF-UHFFFAOYSA-N 323.780 3.079 0 40 DGAB CCCCC(=O)NC(=S)Nc1cccc(Br)c1 1783108 WTPPQRMUJXDZNS-UHFFFAOYSA-N 315.236 3.452 0 40 DGAB C[C@@H]1C[C@@H](C)CN(C[C@@H](C)Nc2ncnc3sccc23)C1 58173603 WGOXKOHSIWMOAW-JHJVBQTASA-N 304.463 3.470 0 40 DGAB Cc1cc(C(=O)Nc2n[nH]c(-c3cccc4ccccc34)n2)on1 58163116 HUGJTHXHPPLPGC-UHFFFAOYSA-N 319.324 3.174 0 40 DGAB Cn1ccnc1SC[C@@H](O)COc1cccc2ccccc12 58171611 QELLHIOXCVSJSY-AWEZNQCLSA-N 314.410 3.105 0 40 DGAB C[C@@H](NC(=O)NCc1cccs1)c1ccc2c(c1)OCCO2 44889811 GDHINIFYXKJTSA-LLVKDONJSA-N 318.398 3.080 0 40 DGAB Cc1c([C@@H](C)NC(=O)[C@H](C)Oc2ccccc2Cl)cnn1C 58245063 RFQOVKPPSLCBJC-PWSUYJOCSA-N 321.808 3.027 0 40 DGAB Cc1cccc(-c2noc(CN3CCC(c4cc[nH]n4)CC3)n2)c1 58264321 MRMZQYKYMUDBKK-UHFFFAOYSA-N 323.400 3.148 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1C=CCC1)c1nc(-c2ccc(F)cc2)no1 58291176 IHGMSAHVHXANJY-VXGBXAGGSA-N 315.348 3.409 0 40 DGAB O=C(CC[C@H]1CCCO1)Nc1cc(F)cc(N2CCCC2)c1 58282411 MCKKTMYOERTKJN-MRXNPFEDSA-N 306.381 3.324 0 40 DGAB CCOc1ccccc1N1C(=O)C[C@@H](Nc2ccc(C)cc2)C1=O 101276127 GSPOPMRNIYHVND-OAHLLOKOSA-N 324.380 3.138 0 40 DGAB CCOCc1ccc(CNC(=O)c2ccc(Cl)nc2)cc1 29281788 UTQUWJUWEMACLT-UHFFFAOYSA-N 304.777 3.202 0 40 DGAB CN(CCCc1cc(-c2ccccc2)n(C)n1)C(=O)c1ccco1 48291573 IXNIPQYDUWVWJN-UHFFFAOYSA-N 323.396 3.385 0 40 DGAB COc1cccc(Cl)c1C(=O)Nc1ccc(CCO)cc1 95417572 IKDKCPYBQRZOBZ-UHFFFAOYSA-N 305.761 3.136 0 40 DGAB CC(C)(C)OC(=O)N1CCC(C)(C(=O)N[C@@H]2C=CCCC2)CC1 95433989 JQQBDNSNAUPRPO-CQSZACIVSA-N 322.449 3.249 0 40 DGAB Cc1cccc(C)c1NC(=O)C(=O)NCCCCc1ccccc1 59379404 BJDQTTVFPVPTQS-UHFFFAOYSA-N 324.424 3.381 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccsc2)c1 48332092 BVIICCRRFZRGOU-GFCCVEGCSA-N 316.426 3.206 0 40 DGAB CCC(=O)c1ccc(OCC(=O)Nc2ccccc2F)cc1 3608871 FSUHUJAWKYNGHB-UHFFFAOYSA-N 301.317 3.436 0 40 DGAB COc1ccc(NC(=O)C(C)(C)NC(=O)OC(C)(C)C)c(C)c1 171422275 KWCIQZIGXUOAQE-UHFFFAOYSA-N 322.405 3.245 0 40 DGAB Cc1ccc(OCCNC(=O)[C@H](C)Oc2ccccc2)c(C)c1 23961258 NXCOLWLRIJDBNO-INIZCTEOSA-N 313.397 3.266 0 40 DGAB COC(=O)c1cc(CSc2nc3ccccc3[nH]2)ccc1O 13282061 SXCJTQKNDIYBGU-UHFFFAOYSA-N 314.366 3.347 0 40 DGAB COc1cccc(CN(Cc2ccccn2)C[C@@H]2CCCO2)c1 64807225 XKKSIMAWAQYHQE-IBGZPJMESA-N 312.413 3.271 0 40 DGAB O=C(COc1ccccc1Cl)c1ccc2c(c1)OCCO2 6085996 BOODCWXKKKOJCP-UHFFFAOYSA-N 304.729 3.373 0 40 DGAB Cc1ccccc1-c1noc(CCC(=O)NC2CCCCC2)n1 4384140 QLBGMJGEZRHHID-UHFFFAOYSA-N 313.401 3.427 0 40 DGAB CC(C)[C@H](NC(=O)NCCNc1ccccn1)c1cccs1 65454253 DHNUTUOSKVNUIQ-HNNXBMFYSA-N 318.446 3.252 0 40 DGAB C[C@@H]1C[C@@H]1C(=O)Nc1cc(C(F)(F)F)ccc1-n1cccn1 14117635 XODDFPKWXOMQQH-KOLCDFICSA-N 309.291 3.486 0 40 DGAB CC(C)OCCCNc1ncnc2c1[nH]c1ccc(F)cc12 6498790 OJKTXZVCXQLUIT-UHFFFAOYSA-N 302.353 3.477 0 40 DGAB O=C(c1cc(-c2ccco2)[nH]n1)N1CC2C[C@H]3CC1C[C@@H](C2)C3 65924748 LRIXPYANHKXOLV-VTXSZYRJSA-N 311.385 3.320 0 40 DGAB CCCNC(=O)c1ccccc1NC(=O)c1cccc(F)c1 6581349 XUFJPVYNOLBDNR-UHFFFAOYSA-N 300.333 3.218 0 40 DGAB Cc1noc(C)c1CSCC(=O)NCc1ccc(Cl)cc1 6650345 SRXFXKPEPJXUCV-UHFFFAOYSA-N 324.833 3.494 0 40 DGAB Cc1ccc(F)cc1NC(=O)[C@@H]1Oc2ccccc2O[C@@H]1C 9478460 ARHYUPXSRXVECX-BDJLRTHQSA-N 301.317 3.301 0 40 DGAB Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2Cl)cc1 20130426 GXTOSZWQJYNQQP-UHFFFAOYSA-N 317.197 3.376 0 40 DGAB C[C@H](NCc1c(F)cccc1Cl)c1nnc2ccccn12 15593721 MHYJWQQLVBBAST-JTQLQIEISA-N 304.756 3.373 0 40 DGAB CN(CC(=O)Nc1cc(C(C)(C)C)no1)Cc1ccccc1 7340087 VDRBCSUFNCBRNE-UHFFFAOYSA-N 301.390 3.043 0 40 DGAB CCOc1ccc(NC(=O)c2cc(OC)ccc2OC)cc1 7476523 RFGWWGREWPTTDP-UHFFFAOYSA-N 301.342 3.355 0 40 DGAB CCc1ccc([C@H]2C[C@@H](C)CCN2C(=O)Cn2cccn2)o1 96433285 SFHAYVSEPRNDBY-DZGCQCFKSA-N 301.390 3.038 0 40 DGAB NC(=O)c1c(NC(=O)[C@H]2CC=CCC2)sc2c1CCCC2 7780552 CCXNJQDGVIYGIY-JTQLQIEISA-N 304.415 3.021 0 40 DGAB CC[C@H](NC(=O)Cn1c(=O)oc2ccccc21)c1ccc(C)cc1 8036381 KURVDRVVCFIVHE-HNNXBMFYSA-N 324.380 3.170 0 40 DGAB O=C1CCCN1CC[C@H]1CN(C(=O)C2CC=CC2)c2ccccc21 81649613 AVXKLIMVTBVHQM-INIZCTEOSA-N 324.424 3.096 0 40 DGAB CCn1c(C)cc(C(=O)N2CCC[C@@H]2c2cc(C)no2)c1C 71820954 VAVAHUSRMFZKGR-OAHLLOKOSA-N 301.390 3.399 0 40 DGAB Cc1cnc(C(=O)N[C@H]2CCSc3ccc(Cl)cc32)cn1 16709641 AQMYIMWVQNBVFE-LBPRGKRZSA-N 319.817 3.405 0 40 DGAB Cc1nn(C)c(C)c1CC(=O)N1CC(C)(C)[C@@H]1c1ccccc1 71823377 QWMMAYMCUJNMAN-SFHVURJKSA-N 311.429 3.189 0 40 DGAB Cc1c(C)n(C)c2ccc(C(=O)N3C[C@H](C)O[C@H](C)C3)cc12 27979732 YFZXSHKNUOTEFW-TXEJJXNPSA-N 300.402 3.045 0 40 DGAB CCOc1ccccc1CNC12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2 18099089 DNQFOLNHDMVUHM-MYMYQCDVSA-N 301.430 3.259 0 40 DGAB C[C@@H](NS(=O)(=O)c1c(Cl)cccc1Cl)C1CCC1 95975117 VPKSWWMYZNVSGB-MRVPVSSYSA-N 308.230 3.460 0 40 DGAB COc1cccc(-c2nc(C(=O)OCc3cccnc3)c(C)[nH]2)c1 93148499 KMRVKAXRRAJLOD-UHFFFAOYSA-N 323.352 3.146 0 40 DGAB O=C(Nc1cccc(CNC(=O)[C@@H]2C[C@@H]2C2CC2)c1)C1CCC1 84374379 PCDZSCUZKDJIKP-IAGOWNOFSA-N 312.413 3.088 0 40 DGAB CN1CCN(CCCN[C@@H](c2ccccc2)C(C)(C)C)CC1 95398721 SLTVYWLCODPTMT-SFHVURJKSA-N 303.494 3.001 0 40 DGAB C[C@H](c1cccnc1)N(C)C(=O)N[C@H](c1nccs1)C1CC1 74708762 JEKRBLZONAGXEB-RISCZKNCSA-N 316.430 3.392 0 40 DGAB CC(C)(CN[C@H]1CCc2c(Cl)cc(Cl)cc21)C(N)=O 95462748 SWCGBFZQZGRHQE-LBPRGKRZSA-N 301.217 3.082 0 40 DGAB Cc1cc(C)c(CNC(=O)c2sccc2C(C)C)c(=O)[nH]1 75122266 ONOYCNWRYNYELW-UHFFFAOYSA-N 304.415 3.107 0 40 DGAB Cc1ccc([C@@]2(C)NC(=O)N(Cc3ccc(Cl)cc3)C2=O)o1 60346117 MZIVFGSZFWSAIH-MRXNPFEDSA-N 318.760 3.209 0 40 DGAB Fc1cccc(-c2cnc3n2CCN(Cc2ccccn2)C3)c1 306142714 XHCPZGAFKCXETJ-UHFFFAOYSA-N 308.360 3.100 0 40 DGAB C[C@@]12CC[C@H]3[C@@H](C(=O)C=C4C[C@@H](O)CC[C@@]43C)[C@@H]1CCC2=O 403776 KPRGOTLNGIBVFL-FPEHWUGZSA-N 302.414 3.058 0 40 DGAB biogenic O=C1C[C@@H](Nc2cccc(Cl)c2)C(=O)N1c1cccc(F)c1 36635740 RIDXKKUJMOLAHD-CQSZACIVSA-N 318.735 3.223 0 40 DGAB CCCCc1nnc(NC(=O)c2csc(NC3CC3)n2)s1 36357792 ZWRDRHSTOVRLQI-UHFFFAOYSA-N 323.447 3.164 0 40 DGAB CC1=NC[C@@H](C)NC(C)(C)CC(C)=N[C@@H](C)CNC(C)(C)C1 1547138101 VPWMRWNDCNUCTC-JKSUJKDBSA-N 308.514 3.215 0 40 DGAB biogenic COCCN1CCC[C@H](c2nc(C)n3c(C)c(C)sc23)C1 72367891 KRWZZINXSUTSAJ-AWEZNQCLSA-N 307.463 3.147 0 40 DGAB OC1=Nc2nc(N3CCOCC3)sc2[C@@H](c2ccsc2)C1 36365538 HMUNQTWCHWPGFC-SNVBAGLBSA-N 321.427 3.165 0 40 DGAB CC(C)(C)OC(=O)N[C@H](c1ccc(CN)cc1)C(F)(F)F 79036657 YWKVYZNATQCGBD-LLVKDONJSA-N 304.312 3.273 0 40 DGAB C[C@@H](NC(=O)CCc1ccco1)c1ccc(-n2cccn2)cc1 75347766 YUFKXAGYBLAWRT-CQSZACIVSA-N 309.369 3.275 0 40 DGAB CCOc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1 72228087 BGFGFQQCKOVOMF-HOTGVXAUSA-N 316.788 3.154 0 40 DGAB CCCCc1noc([C@@H]2CCCN(C(=O)c3ccco3)C2)n1 41122491 YALQMHQKEMOUNK-GFCCVEGCSA-N 303.362 3.025 0 40 DGAB C[C@H](NCc1ccc(CO)cc1)c1cccc(-n2ccnc2)c1 195577368 CDOYIJXKGUPJDH-HNNXBMFYSA-N 307.397 3.215 0 40 DGAB COc1ccc(CCNC(=O)CCc2ccc(F)c(F)c2)cc1 40073416 AALBJBPMWSZGQK-UHFFFAOYSA-N 319.351 3.265 0 40 DGAB C[C@H](C(=O)Nc1nc2ccccc2s1)N1CCCCCC1=O 227115683 GMGWDCNMCOZOAD-LLVKDONJSA-N 317.414 3.026 0 40 DGAB CC(C)c1nnc(CCC(=O)O[C@H]2CCc3ccccc3C2)o1 80290009 IYRGCJDRQCYYEX-HNNXBMFYSA-N 314.385 3.226 0 40 DGAB Cc1nc2ccccn2c1-c1nnc2sc(CC(C)C)nn12 227143971 RCWVRTWNUOKDML-UHFFFAOYSA-N 312.402 3.007 0 40 DGAB NC(=O)/C=C\c1ccc(-c2ccc(Br)cc2F)o1 45016341 OLTAYSFXYZLBLG-UTCJRWHESA-N 310.122 3.347 0 40 DGAB Cc1cc(C)cc(-n2nc(C)cc2NC(=O)c2ccccn2)c1 40023501 NSUYUSRVXKSQKW-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB COc1ccccc1NC(=O)N[C@@H](C)COc1ccccc1 48050564 SEMDNIKHJQWAED-ZDUSSCGKSA-N 300.358 3.284 0 40 DGAB COc1cc(CN(Cc2ccc3cn[nH]c3c2)C2CC2)ccc1O 191511121 RBJZFGMWSIAFNS-UHFFFAOYSA-N 323.396 3.442 0 40 DGAB COc1ccc(Cl)c2c(Br)c(C(=O)O)cnc12 85386381 LJNCOPYUCWBSQI-UHFFFAOYSA-N 316.538 3.358 0 40 DGAB Cc1cccc(O[C@H]2CCN(C(=O)c3ccc(Cl)cc3)C2)n1 238970774 ZJWHVTVIKSAKOY-HNNXBMFYSA-N 316.788 3.337 0 40 DGAB C[C@@]12C[C@@H](NC(=O)N1c1ccccc1)c1cc(C(=O)O)ccc1O2 96530429 OLABMJSJFJZDLF-RDTXWAMCSA-N 324.336 3.154 0 40 DGAB c1ccc(-c2ncc3c(n2)[C@]2(CCN(CC4CC4)C2)COC3)cc1 96244357 SXROBPKSLAQVCO-FQEVSTJZSA-N 321.424 3.027 0 40 DGAB COCCn1nc(C)c(NC(=O)Nc2ccc(C)c(F)c2)c1C 96456552 VOZCPYBAVSYWBU-UHFFFAOYSA-N 320.368 3.238 0 40 DGAB C[C@H](NC(=O)C[C@@H]1CCCO1)c1ccc(-c2cccnc2)cc1 96446737 JYMQWVWRNAVEDX-KSSFIOAISA-N 310.397 3.495 0 40 DGAB Brc1ccc(-c2noc(CCc3cccnc3)n2)o1 96448206 AAMOVTOUJBWTNB-UHFFFAOYSA-N 320.146 3.272 0 40 DGAB C[C@]1(C(=O)N2CCCCCC2)CC(c2cccc(F)c2)=NO1 96193010 GANQGRKWDHRBEY-QGZVFWFLSA-N 304.365 3.111 0 40 DGAB O=C(C[C@H]1C(=O)Nc2ccccc21)Nc1cc(F)c(F)c(F)c1 95473945 IKHZLKJEBTTXON-SNVBAGLBSA-N 320.270 3.168 0 40 DGAB Cc1ccc(C)n1-c1c(C(=O)N(C)c2ccsc2)cnn1C 585126771 ICHFNGDIHKFUEO-UHFFFAOYSA-N 314.414 3.166 0 40 DGAB Cc1cn[nH]c1C[C@H]1CCCN(C(=O)/C=C/c2ccccc2)C1 257283186 OXDCXJANQGBUQR-OAGJVSPASA-N 309.413 3.213 0 40 DGAB C[C@@H]1CN2C(=N[C@H](c3ccccn3)[C@H]2c2cccc(O)c2)S1 260784186 VITZMJKQILECTF-HFBAOOFYSA-N 311.410 3.377 0 40 DGAB CCc1noc(CS(=O)(=O)c2cc(C(C)(C)C)ccc2C)n1 59035862 AQBLXENLCFFHIV-UHFFFAOYSA-N 322.430 3.212 0 40 DGAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@@H](O)C(F)(F)F 62152197 GMFMLQKDFXFOAF-VXGBXAGGSA-N 319.323 3.046 0 40 DGAB Cc1cccc(C(=O)OCc2nnc(C)n2C2CC2)c1Cl 97033087 IGGDZKWXYYGCRU-UHFFFAOYSA-N 305.765 3.240 0 40 DGAB COc1cc(OC)cc(OCC(=O)Nc2ccc(C)cc2C)c1 5497167 ZGMVRKRDDGHILT-UHFFFAOYSA-N 315.369 3.338 0 40 DGAB CC(=O)c1sc(NC(=O)Cc2ccc(C)cc2C)nc1C 5267991 WESBCPJSSXAZLQ-UHFFFAOYSA-N 302.399 3.452 0 40 DGAB O=C(NC1CCCC1)c1ccc(-n2ccnc2)c(-n2cccc2)c1 12088107 WGMJDERQYYHMKS-UHFFFAOYSA-N 320.396 3.335 0 40 DGAB COc1ccccc1C[C@@H](C)NC(=O)c1ccc2nc(C)[nH]c2c1 12147257 POXQSJCGYSHGQS-GFCCVEGCSA-N 323.396 3.241 0 40 DGAB Cc1cccc(C2(O)CCN(C[C@H](O)c3ccccc3)CC2)c1 12292083 RHZPUERTRAVWLV-IBGZPJMESA-N 311.425 3.012 0 40 DGAB CN(CCNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1 12611632 PKNBJMAVPMUZLA-UHFFFAOYSA-N 312.457 3.455 0 40 DGAB COC(=O)C1=C(C)Nc2nc3ccccc3n2[C@@H]1c1ccco1 13634668 WTCHJGPSUPRRGG-OAHLLOKOSA-N 309.325 3.091 0 40 DGAB C[C@H](CNC(=O)/C=C/c1ccc2c(c1)OCO2)c1ccccc1 15745047 IDVYREZJSNKHAZ-QSYFUGGGSA-N 309.365 3.348 0 40 DGAB C1CC1c1nnc(N(c2nnc(C3CC3)s2)C2CC2)s1 1888849765 HJKVBBKHPJYQAX-UHFFFAOYSA-N 305.432 3.445 0 40 DGAB O=C(Cc1noc2ccccc12)Nc1cccc(-c2nnco2)c1 24736419 WJEOECDAOIBWQD-UHFFFAOYSA-N 320.308 3.059 0 40 DGAB CN1CCCC[C@H]1C1CCN(C(=O)/C=C/c2cccs2)CC1 2055759428 YSWYYAXTMDQURZ-OZSKJFCKSA-N 318.486 3.484 0 40 DGAB Fc1ccc(CN2CCC(Oc3nccs3)CC2)cc1F 2086884419 PLLJRKXVEBFWRN-UHFFFAOYSA-N 310.369 3.465 0 40 DGAB O=C(c1cc2ccccc2s1)N1CC(Oc2nccs2)C1 206921510 ZRLLLLLCLIOOPX-UHFFFAOYSA-N 316.407 3.261 0 40 DGAB NC(=O)c1ccc(Nc2cc(C3CCC3)nc(C3CC3)n2)cc1 2298115920 GWMLGKBJHXDSNP-UHFFFAOYSA-N 308.385 3.464 0 40 DGAB COc1ccccc1OCCNC(=O)C[C@H](C)c1ccccc1 31242542 OZSFKMOQFPDZNT-HNNXBMFYSA-N 313.397 3.384 0 40 DGAB Cc1ncsc1C(=O)N(C)Cc1ccc(Br)o1 40534090 LWTCVUJOWBAQNB-UHFFFAOYSA-N 315.192 3.079 0 40 DGAB CC(C)COC(=O)c1ccc2c(c1)C(=O)N(c1ccccc1)C2=O 243729 OEIPYJQOPPTQMN-UHFFFAOYSA-N 323.348 3.300 0 40 DGAB CCc1nnsc1C(=O)N(Cc1ccccc1F)C1CC1 32741320 UXGCHNPCJSLYRZ-UHFFFAOYSA-N 305.378 3.044 0 40 DGAB CCOC(=O)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C 348379 PCVTURWWWFBDIT-UHFFFAOYSA-N 322.364 3.179 0 40 DGAB CC(C)(C)c1ccc2c(c1)C(=O)N(c1cccc(C(=O)O)c1)C2=O 480632 JFCLCSBCQJZMGL-UHFFFAOYSA-N 323.348 3.483 0 40 DGAB C[C@@H]1C(=O)O[C@H](c2ccc(Br)cc2)C(C)(C)C1=O 35093 WZMCHFHHRACTST-QPUJVOFHSA-N 311.175 3.278 0 40 DGAB COc1ccccc1NC(=O)/C=C/c1ccc(OC)c(OC)c1 496590 JFEGPWHVDUOGDP-PKNBQFBNSA-N 313.353 3.364 0 40 DGAB Cc1cc(C)n(-c2ccc(C(=O)OCC(=O)C(C)(C)C)cc2)n1 3469188 FWNVGHKNIFXBFC-UHFFFAOYSA-N 314.385 3.261 0 40 DGAB Cc1cccc(NC(=O)c2nnn(-c3ccccc3F)c2C)c1 5033408 ZYLHFTHISORQMS-UHFFFAOYSA-N 310.332 3.276 0 40 DGAB Cc1ccc2nc(CSc3nnc4n3CCCCC4)cn2c1 6097196 IFGMTGJJEIUHGQ-UHFFFAOYSA-N 313.430 3.253 0 40 DGAB CCOc1ccc(NS(=O)(=O)c2cc(C)ccc2OC)cc1 7417171 KBSZYUBPTPMOBT-UHFFFAOYSA-N 321.398 3.203 0 40 DGAB COc1ccc(CNC(=O)c2ccc(C)c(F)c2)cc1OC 7955437 PZPYLHSGGDTIOC-UHFFFAOYSA-N 303.333 3.081 0 40 DGAB O=C(O)c1sc(-c2ccccc2)cc1NC(=O)[C@@H]1CCCO1 8723782 JZQUWUVLIJVANI-LBPRGKRZSA-N 317.366 3.231 0 40 DGAB CC(C)[C@H](C)NC(=O)COc1ccc(F)c2c1C(=O)C[C@H]2C 8748656 FPHHCCMWFUGROR-MNOVXSKESA-N 307.365 3.055 0 40 DGAB Cc1cc(C)c(NC(=O)CN(C)CCc2ccncc2)c(C)c1 8776891 JGPBSUORGWYZPX-UHFFFAOYSA-N 311.429 3.120 0 40 DGAB CC1(C)COc2ccc(NC(=O)c3cccs3)cc2NC1=O 8959875 UNYDBQADSFEZOA-UHFFFAOYSA-N 316.382 3.358 0 40 DGAB CCCOc1nn(CCC)cc1C(=O)NCc1ccc(F)cc1 9070810 ZHRQEXQAYFTBOB-UHFFFAOYSA-N 319.380 3.151 0 40 DGAB CCOC(=O)C1CCN(C(=S)c2ccccc2OCC)CC1 9188303 WINUKMXCRSKELQ-UHFFFAOYSA-N 321.442 3.036 0 40 DGAB CCOC(=O)c1cc(-c2cccs2)nc2c1cnn2CC 11300955 FGAQSFRUVZTDRW-UHFFFAOYSA-N 301.371 3.356 0 40 DGAB CC(C)C[C@@H](NC(=O)c1ccco1)c1nc2cccnc2n1C 12114062 CONYTKQOMLLTST-CYBMUJFWSA-N 312.373 3.079 0 40 DGAB C[C@@H](OCCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1 12544346 KMMWNTQGVMWZRF-CQSZACIVSA-N 323.396 3.461 0 40 DGAB CCNC(=S)/C(=C(\O)c1ccccc1Cl)[n+]1ccccc1 12655742 NMBUHZAGYDUBAH-UHFFFAOYSA-O 319.837 3.448 0 40 DGAB O=C1CN(C(=O)Cc2ccc3ccccc3c2)c2ccccc2N1 12869294 SUSUNKDJXGZESZ-UHFFFAOYSA-N 316.360 3.368 0 40 DGAB CC(C)n1ncc2cc(C(=O)NCc3ccc(F)cc3)cnc21 12904464 CRTGOYABXYFNEC-UHFFFAOYSA-N 312.348 3.081 0 40 DGAB COc1ccccc1CNCc1cc2ccc(C)cc2[nH]c1=O 13999217 QKKJDEAEUSZUHP-UHFFFAOYSA-N 308.381 3.135 0 40 DGAB CCn1nnc(NCc2ccc(-c3ccc(Cl)cc3)o2)n1 15356934 NBMBHZPYDRRZBG-UHFFFAOYSA-N 303.753 3.219 0 40 DGAB O=S(=O)(Nc1cccnc1Cl)c1cccc(Cl)c1 16129267 SAEIDPILCCKVEY-UHFFFAOYSA-N 303.170 3.189 0 40 DGAB CCCCn1nc(C)c2c(C(=O)NCC(C)C)cc(C)nc21 17030851 MKZWEGCMPIGRNE-UHFFFAOYSA-N 302.422 3.234 0 40 DGAB CCCCOc1c(C)c(C)nc2cc(C3CCOCC3)nn12 19502284 NDMPGSPHZGNZHO-UHFFFAOYSA-N 303.406 3.419 0 40 DGAB O=C(Nc1ccc(Cl)cc1)Nc1ccc2[nH]c(=O)oc2c1 20478480 LWJPQXIRKOQJEO-UHFFFAOYSA-N 303.705 3.419 0 40 DGAB CC[C@H](NS(=O)(=O)Cc1ccccc1F)c1ccccc1 20484485 WXXVCPZYESEXHN-INIZCTEOSA-N 307.390 3.396 0 40 DGAB O=C(OCc1nc(-c2ccccc2)no1)c1ccc(F)c(F)c1 22431962 SZUVZADEBOVJIF-UHFFFAOYSA-N 316.263 3.372 0 40 DGAB O=C(NCCCn1cccn1)c1cc2c(ccc3ccccc32)[nH]1 30165212 UFIUUXXYULFJJW-UHFFFAOYSA-N 318.380 3.338 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H](CO)C1 32098770 ALBDGYQRKQAUJW-HIFRSBDPSA-N 309.381 3.159 0 40 DGAB Cc1cc(C(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(C)o1 32721704 HDJGIRAZEIFRRF-UHFFFAOYSA-N 323.352 3.113 0 40 DGAB CC(=O)Nc1nc(CSc2nncc3ccccc23)cs1 32754632 VVHSVTIYTDBCNE-UHFFFAOYSA-N 316.411 3.337 0 40 DGAB NC(=O)Nc1ccc(NC(=O)c2ccc3c(c2)CCCC3)cc1 32901859 VYYODBJRJNPKTR-UHFFFAOYSA-N 309.369 3.308 0 40 DGAB O=C(CCc1ccc(Cl)cc1Cl)NC1CCC(O)CC1 35199859 XOUKDZMYAPEIGM-UHFFFAOYSA-N 316.228 3.346 0 40 DGAB CC(C)OC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 36096832 NYSLKVSRLFZZOI-FQEVSTJZSA-N 313.441 3.475 0 40 DGAB O=S(=O)(Nc1ccc(F)cc1)c1ccc(-c2ccno2)s1 36357239 WEOMZHCXUGPOQM-UHFFFAOYSA-N 324.358 3.343 0 40 DGAB CC(C)OCc1cccc(CNC(=O)COc2ccccc2)c1 40122274 UFZQIUOIIFOSIG-UHFFFAOYSA-N 313.397 3.307 0 40 DGAB Fc1ccc(-c2nnc3sc(-c4ccco4)nn23)cc1F 40267258 RAFYHTBXIACPKI-UHFFFAOYSA-N 304.281 3.391 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)NCCSC2CCCC2)c1 43785514 UXSSEPVNASXOLM-UHFFFAOYSA-N 313.488 3.258 0 40 DGAB C[C@@H](NC(=O)CC1CCCCC1)c1ccc(NC(N)=O)cc1 45834611 SKVJPDFCACUNCL-GFCCVEGCSA-N 303.406 3.325 0 40 DGAB Cc1ncsc1C(=O)NCc1ccc(Br)s1 46575999 GZFHKPHMZQVOBB-UHFFFAOYSA-N 317.233 3.206 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2c(F)cccc2Cl)n1 48409422 SLOZOCRDLPVJJN-SNVBAGLBSA-N 323.799 3.359 0 40 DGAB Cc1cccc(C2(C(=O)N(C)Cc3cnc(C)s3)CC2)c1 53092070 PYPRHAYXXNASPC-UHFFFAOYSA-N 300.427 3.450 0 40 DGAB Cc1cc(C(=O)N2CCO[C@@H](C)C2)c(C)n1Cc1cccs1 54214850 YSEQQJTWVUTSJX-ZDUSSCGKSA-N 318.442 3.076 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 55946285 SKNJCQKYLSDHBD-LZLYRXPVSA-N 321.392 3.121 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccc(O)c(Cl)c1)c1ccsc1 58155277 IJJLACWDMDLSDR-ZDUSSCGKSA-N 324.833 3.140 0 40 DGAB Cc1cc(C(C)(C)C)cc(C)c1Cn1nc2ccccn2c1=O 58378198 VSXHBZAOMKLTQY-UHFFFAOYSA-N 309.413 3.459 0 40 DGAB Cc1cccc(Cn2nccc2NC(=O)CCc2ccccn2)c1 62878436 VAROMFGWQRBRMK-UHFFFAOYSA-N 320.396 3.206 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCCN(C)C(=O)OC(C)(C)C)C1(C)C 65476156 HANBYSFDSHFMAK-KBPBESRZSA-N 324.465 3.208 0 40 DGAB CNCC/C=C1/c2ccccc2COc2ccc(CC(=O)O)cc21 65739985 VQMJUHOJPCPUAM-IDUWFGFVSA-N 323.392 3.247 0 40 DGAB world CCn1ccc(=O)nc1SCc1nc2ccccc2s1 69512296 FMLFOUWNCSENAO-UHFFFAOYSA-N 303.412 3.165 0 40 DGAB C[C@@H](NC(=O)NCc1ccc(F)c(Cl)c1)c1cccnc1 69617860 HZNJPQKJJREFNX-SNVBAGLBSA-N 307.756 3.435 0 40 DGAB CCOc1ccc(NC(=O)N[C@H](C)c2nc(C)no2)cc1Cl 69737622 UKLOWFAIOASROV-MRVPVSSYSA-N 324.768 3.313 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCCC[C@H]1Cn1cccn1 69951325 PIDGNLGHKCBRDS-INIZCTEOSA-N 308.385 3.059 0 40 DGAB Cc1cnn(C[C@@H]2CCCN2C(=O)c2nccc3ccccc23)c1 70011188 DADHJYMDCUNDTM-INIZCTEOSA-N 320.396 3.045 0 40 DGAB CCn1cc(NC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cn1 71903484 MRIKWNQNKXNWAO-SECBINFHSA-N 311.744 3.102 0 40 DGAB Cc1nc(-c2ccccc2NC(=O)c2scnc2C)no1 71972907 CNSXCJHZBAXYPN-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB CSc1nccc(NC[C@@H]2CCCN2C(=O)OC(C)(C)C)n1 72203084 KQJZMRDNQNKIHZ-NSHDSACASA-N 324.450 3.010 0 40 DGAB Cc1cc(I)ncc1[C@@H](N)c1ccccc1 72225993 FROLARMPWFYLPU-ZDUSSCGKSA-N 324.165 3.043 0 40 DGAB Cc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2C)cn1 72330240 AHISPZQCXCGLSH-UHFFFAOYSA-N 318.760 3.147 0 40 DGAB Cc1ccc([C@H](C)NC(=O)COC(=O)c2ccsc2)cc1 72333928 UXLSZWNAUKTYNA-LBPRGKRZSA-N 303.383 3.091 0 40 DGAB COc1ccccc1C[C@@H](C)CC(=O)NCc1csc(C)n1 78655937 CESHDTUVROFCIT-GFCCVEGCSA-N 318.442 3.345 0 40 DGAB Cc1nc([C@H](C)NC(=O)NCCOc2ccccc2C)cs1 78663502 BSGRECGWCJPDIJ-LBPRGKRZSA-N 319.430 3.199 0 40 DGAB CCN(CC)C[C@@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 78934586 BOEOJBMQOMBPBY-FDMDGMSGSA-N 304.409 3.029 0 40 DGAB Cc1cccc(C(=O)Oc2cccc(NC(=O)c3ccco3)c2)n1 79357923 GOFLGVMQNDGKTO-UHFFFAOYSA-N 322.320 3.455 0 40 DGAB COc1ccc(C(=O)N2CC(C)(C)Sc3ccccc32)nn1 88240932 SCRZOLAINUCALD-UHFFFAOYSA-N 315.398 3.016 0 40 DGAB C[C@@H](CS(=O)(=O)NC(C)(C)c1nccs1)c1ccccc1 89904106 ZIKJZWCFVKMFSO-LBPRGKRZSA-N 324.471 3.101 0 40 DGAB CC(C)c1nc(COc2cccc3c2NC(=O)CO3)cs1 91600030 ZHPWHEJWWRBEDW-UHFFFAOYSA-N 304.371 3.176 0 40 DGAB COc1ccccc1C[C@H](C)NCCc1cn2ccccc2n1 95419946 JLSXVVNIQQROEM-HNNXBMFYSA-N 309.413 3.106 0 40 DGAB COc1ccc([C@H](CN2CCCC2)NC(=O)C2CCCC2)cc1 95456455 PFPSMSVZGJRSOF-SFHVURJKSA-N 316.445 3.139 0 40 DGAB c1ccc(OCCN2CCC[C@@]3(CCN(CC4CC4)C3)C2)cc1 96216432 ISSDFMOQFUVOFQ-HXUWFJFHSA-N 314.473 3.263 0 40 DGAB CCc1ccc([C@@H](COC)NC(=O)c2ccc(Cl)nc2)o1 96423267 PIXWONIZECJULU-GFCCVEGCSA-N 308.765 3.008 0 40 DGAB CC(C)[C@@H](CCO)NC(=O)Nc1cccc(-c2nccs2)c1 96434232 JIILMJKJGIZCFM-CQSZACIVSA-N 319.430 3.339 0 40 DGAB Cc1c(O)nc(SCc2nccn2C)nc1-c1ccccc1 97094762 IKMJJVZRFWQCNH-UHFFFAOYSA-N 312.398 3.183 0 40 DGAB Cc1ccc([S@@](=O)Cc2ncc(Cl)cc2Cl)nc1 97094861 POHMBNYBEOYIDG-GOSISDBHSA-N 301.198 3.400 0 40 DGAB CCN(Cc1noc(C)n1)[C@@H]1CCN([C@H](C)c2ccccc2)C1 106643402 GZOSKPZWDFGHEP-RHSMWYFYSA-N 314.433 3.035 0 40 DGAB CNC(=O)c1cccc(NC(=O)[C@@H](C)Sc2ccoc2C)c1 131557514 KYALLQBSWKCIGD-LLVKDONJSA-N 318.398 3.067 0 40 DGAB Cc1cc(CN2CCCCC[C@@H]2C[C@@H](O)c2ccco2)on1 195539011 CEOWBGUVUFOUGF-GDBMZVCRSA-N 304.390 3.444 0 40 DGAB Cc1ccccc1[C@@H]1CCN(C(=O)C2CCOCC2)CCS1 219290256 GMVMUNFBENZJOC-KRWDZBQOSA-N 319.470 3.428 0 40 DGAB CN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccn(C(C)(C)C)c1 222733412 MBEDRCQXNOKEBM-CABCVRRESA-N 314.458 3.240 0 40 DGAB CCCOc1ccc(C(=O)Nc2cc(N)ccc2N(C)C)cc1 226261711 AZPUUIOUHLUHRI-UHFFFAOYSA-N 313.401 3.376 0 40 DGAB COc1cccc([C@@H]2[C@@H](N[C@H]3CCSC3)CCN2C2CC2)c1 253370912 XYEMDGFQZUDOKC-JCGIZDLHSA-N 318.486 3.068 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc2c(c1)[C@@]1(CCC2)COCCN1 306145674 NDUHNNGSECMSAW-GOSISDBHSA-N 318.417 3.185 0 40 DGAB CC(C)Cn1ncc(I)c1COC(C)C 408716787 QYBIRDDEVRHWLO-UHFFFAOYSA-N 322.190 3.069 0 40 DGAB CC(C)c1cccc(-n2cc(CNC(=O)OC(C)(C)C)nn2)c1 2087067020 VGMLHOHOVVTFLT-UHFFFAOYSA-N 316.405 3.415 0 40 DGAB Cc1ccc(/C=C2\N=C(c3ccccc3[N+](=O)[O-])OC2=O)cc1 49883 GCTSSMDMOAJPJT-UVTDQMKNSA-N 308.293 3.248 0 40 DGAB COc1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)OC(C)C)cc1 135964 DDVHRCATRXRXNH-HOTGVXAUSA-N 317.385 3.168 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@@H](C3=C3CCCC3)[C@H]2C(=O)N1c1ccccc1 233921 KDADEENOYSUPPW-YJEJQGFLSA-N 305.377 3.479 0 40 DGAB COc1ccc([C@H]2O[C@H](C)CN(C(=O)c3ccccc3)O2)cc1 268755 ZLCKOEAWKZDBGT-ACJLOTCBSA-N 313.353 3.187 0 40 DGAB COc1ccc(S(=O)(=O)N2CCCCCC2)c2ccccc12 380206 PDKNEGZLXKSZPH-UHFFFAOYSA-N 319.426 3.413 0 40 DGAB COc1ccc([C@@H](O)[P@@](=O)(O)CCc2ccccc2)cc1 550381 DPXGQGCYSAUEKH-INIZCTEOSA-N 306.298 3.199 0 40 DGAB Cc1cccc2nc(CN3CCN(c4ccc(F)cc4)CC3)cn12 809968 UNMBSYLHTMSFSU-UHFFFAOYSA-N 324.403 3.104 0 40 DGAB O=C1NN=C(c2cccc(F)c2)C[C@H]1c1ccc(Cl)cc1 1403205 YSHZZSZOQRSCJK-AWEZNQCLSA-N 302.736 3.487 0 40 DGAB COc1ccc(-c2nc3ccc(Cl)cn3c2C=O)cc1OC 2599699 UPYVKPSSACOHTM-UHFFFAOYSA-N 316.744 3.484 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1cc(C)oc1C 2648120 FYXYUPRHTJRYHR-UHFFFAOYSA-N 302.326 3.465 0 40 DGAB CC(C)COc1ccc(C(=O)NCCCCCC(=O)O)cc1 3151036 JCMHSSAKHNXOCP-UHFFFAOYSA-N 307.390 3.096 0 40 DGAB O=C(CN(Cc1ccccc1)C1=NCCS1)c1ccccc1 3168278 QXAQZCNEZXTFLP-UHFFFAOYSA-N 310.422 3.474 0 40 DGAB C[C@H](NC(=O)COC(=O)c1cccc(Cl)c1)c1ccccc1 3297832 SWAFSXYWOKZARU-LBPRGKRZSA-N 317.772 3.374 0 40 DGAB COc1cc(Cl)c(C)cc1NC(=O)CN1CCCCCC1 3431685 UCTALIWMGACSGM-UHFFFAOYSA-N 310.825 3.472 0 40 DGAB COc1ccc(COC(=O)c2ccc(NC(C)=O)cc2)cc1F 3511217 VIYAXFBMSPGPOK-UHFFFAOYSA-N 317.316 3.150 0 40 DGAB CC(C)(C)c1ccc(C(=O)OCC(=O)NC2CCCC2)cc1 3514791 PQHLFQDCYJHOJG-UHFFFAOYSA-N 303.402 3.200 0 40 DGAB O=C1[C@@H]2CS[C@@H](c3cccs3)N2C(=O)N1c1ccccc1 4520155 RHQSYROQZIPAOE-FZMZJTMJSA-N 316.407 3.331 0 40 DGAB NC(=O)c1c(NC(=O)C(F)(F)F)sc2c1CCCCCC2 4614320 KQILJDDOXGLQBN-UHFFFAOYSA-N 320.336 3.007 0 40 DGAB Cc1ccc(/C=C/C(=O)N2CCN(c3ccccc3)CC2)cc1 5935675 MORUGMKBHKKWNG-VAWYXSNFSA-N 306.409 3.357 0 40 DGAB CC(C)COC(=O)N1CCC[C@H]1C(=O)N[C@@H](C)c1ccccc1 6255900 ANNPGPOLAVXWTI-HOCLYGCPSA-N 318.417 3.121 0 40 DGAB CC(=O)N[C@H]1C(=O)N(Cc2ccccc2)c2c(Cl)cccc21 8048083 MYLRYJOMGMSKCZ-OAHLLOKOSA-N 314.772 3.064 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccc3c(c2)OCCO3)N1C1CC1 8132931 HEPXKFKAVVTHOZ-GOSISDBHSA-N 322.364 3.187 0 40 DGAB Cc1c(C(=O)Nc2ccc(C(N)=O)cc2)oc2c(F)cccc12 8210311 QQXZCJDWGCMONI-UHFFFAOYSA-N 312.300 3.232 0 40 DGAB COc1ccc(F)cc1Cn1cnc2cc(Cl)ccc2c1=O 8718820 NNVVYTLZFKWSLP-UHFFFAOYSA-N 318.735 3.246 0 40 DGAB O=C(COc1ccccc1)Nc1cnc(-c2ccccc2)nc1 9690767 VPBXGKXEQIEMHN-UHFFFAOYSA-N 305.337 3.161 0 40 DGAB O=C(NCc1ccccc1Cn1cccn1)c1ccc(F)cc1 10234900 MLJLNUPMLIUFPY-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB CC[C@@H](C)N1CNC(=S)N(c2cccc(C(F)(F)F)c2)C1 12418625 IEVNXCJTYBODQO-SNVBAGLBSA-N 317.380 3.415 0 40 DGAB COc1cc(-c2nc(-c3cccs3)no2)cc(OC)c1OC 12655123 MDUJPVCSDZHMFQ-UHFFFAOYSA-N 318.354 3.491 0 40 DGAB COc1ccc(O)c(C(=O)c2cnn(-c3cc(C)ccc3C)c2)c1 12734794 UOQLRAXYBMDEAN-UHFFFAOYSA-N 322.364 3.434 0 40 DGAB C[C@H]1CN(C(=O)c2csc(-c3ccccc3)n2)C[C@H](C)O1 12781233 QNEIYICIKBIRDD-RYUDHWBXSA-N 302.399 3.060 0 40 DGAB Cc1cccc(O[C@H](C)C(=O)NCCCN2CCC(C)CC2)c1 13670229 QMNPXHDPZQLKHP-QGZVFWFLSA-N 318.461 3.001 0 40 DGAB CN1CCCN(c2nc(-c3ccccc3)c3ccccc3n2)CC1 18055412 LQCRTISVDJYDJJ-UHFFFAOYSA-N 318.424 3.439 0 40 DGAB O=C(NC1CCCC1)c1cnc2c(cnn2Cc2ccccc2)c1 22458290 DFGPYLDRCPBNPY-UHFFFAOYSA-N 320.396 3.152 0 40 DGAB CN(Cc1ccsc1)C(=O)c1cc(Cl)c2c(c1)OCCO2 24384721 JVAKZWGRNNTEAL-UHFFFAOYSA-N 323.801 3.445 0 40 DGAB COCc1cccc(NC(=O)c2cc(Br)c[nH]2)c1 25335359 BNBIWMPEPZPDEL-UHFFFAOYSA-N 309.163 3.176 0 40 DGAB CC(=O)c1ccc(OCc2nc(Cc3ccccc3)no2)cc1 31647298 MPUSHGJGJNCDTD-UHFFFAOYSA-N 308.337 3.442 0 40 DGAB O=c1[nH]c(SCCCOc2ccccc2)nc2c1CCCC2 36080470 FUFOPYRCVGETDT-UHFFFAOYSA-N 316.426 3.210 0 40 DGAB CC[C@@H]1Oc2cc(O)ccc2N(Cc2cccc(F)c2)C1=O 36261272 DEHSYWYOUUXDNM-HNNXBMFYSA-N 301.317 3.236 0 40 DGAB C[C@H](CNC(=O)[C@@]1(C)CC1(Cl)Cl)N(C)c1ccccc1 40107992 BDACQVFNEMDZOY-BXUZGUMPSA-N 315.244 3.211 0 40 DGAB CC(=O)c1ccc(C(=O)NCCO[C@H]2CCCC[C@@H]2C)s1 40108254 OAUDDEDJQSCFFI-AAEUAGOBSA-N 309.431 3.276 0 40 DGAB CC(C)CN1CCC(NCc2c[nH]nc2-c2ccccc2)CC1 42207486 BTHJPDSPMPFHLF-UHFFFAOYSA-N 312.461 3.287 0 40 DGAB COCCOc1ccc(NC(=O)N[C@@H]2CCCC[C@H]2C)cc1 44301337 MPLGXLBLMJIKKE-CZUORRHYSA-N 306.406 3.412 0 40 DGAB FC(F)Oc1cc(Br)nc(Br)c1 47203199 LHFLWZFKMZXQRF-UHFFFAOYSA-N 302.900 3.208 0 40 DGAB C[C@@H](NCc1cccc2c1OCO2)c1ccc2c(c1)OCCO2 47697948 VXHWEJMDGODAPO-GFCCVEGCSA-N 313.353 3.037 0 40 DGAB COc1ccc([C@@H](NC(=O)Nc2cc(C)on2)C2CC2)cc1 48250373 XFWMSOVVIVDOIT-HNNXBMFYSA-N 301.346 3.264 0 40 DGAB COc1ccc(C(N)=O)c(OCc2ncc(-c3ccccc3)o2)c1 48251476 FRYZALIUKCXXGM-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB C[C@@H](Nc1ncnc2c1oc1ccccc12)C(=O)NC1CCCC1 48311000 UMUCSJVNEZNDDP-LLVKDONJSA-N 324.384 3.235 0 40 DGAB CCOc1ccc2cc(C(=O)N(CC)C[C@H]3CCCO3)[nH]c2c1 53441015 MIBAWJRCHVKNGR-OAHLLOKOSA-N 316.401 3.208 0 40 DGAB O=C(CC[C@@H]1CCCO1)N[C@@H](c1ccc(F)cc1)[C@@H]1CCCO1 55946282 SKNJCQKYLSDHBD-BQFCYCMXSA-N 321.392 3.121 0 40 DGAB Cc1cccc(NC(=O)c2c[nH]c(=S)n2-c2ccccc2)n1 58322711 ZSZOVGXXNRNSOO-UHFFFAOYSA-N 310.382 3.491 0 40 DGAB C[C@H](O)c1ccc(CNC(=O)c2nccc3ccccc23)cc1 65474831 HPWZGAGLIZZFPX-ZDUSSCGKSA-N 306.365 3.218 0 40 DGAB C[C@H](NC(=O)Cn1c(C2CC2)nc2ccccc21)c1ccccn1 65605365 KAENPHRASLRAFF-ZDUSSCGKSA-N 320.396 3.186 0 40 DGAB Cn1cc([C@H]2C[C@@H]2C(=O)Nc2ccc(F)c(-n3cccc3)c2)cn1 69669570 RIMNVDDILJUEFU-CABCVRRESA-N 324.359 3.092 0 40 DGAB C[C@H](C(=O)NC1CCCC1)[S@@](=O)Cc1ccccc1Cl 71859011 CHWKAYKSMUQPMH-BIBXISHDSA-N 313.850 3.036 0 40 DGAB Cc1ccc(N2CCCC2)c(C(=O)NC2CCSCC2)c1 71909652 LCXPXUSKRUIENV-UHFFFAOYSA-N 304.459 3.221 0 40 DGAB CC(=O)N1CCC(c2nccnc2Oc2ccc(F)cc2)CC1 72361693 KQDZAIQHQRFVED-UHFFFAOYSA-N 315.348 3.134 0 40 DGAB CC(=O)NC(C)(C)c1noc(Cc2ccc3ccccc3c2)n1 72550529 XVJZCFHEMRYMEZ-UHFFFAOYSA-N 309.369 3.185 0 40 DGAB CC(C)N(Cc1nnc(-c2ccccc2F)o1)C1CCOCC1 72685612 HOHOTSBTJJSGBK-UHFFFAOYSA-N 319.380 3.265 0 40 DGAB CCN(C(=O)c1nccn2ccnc12)[C@@H](C)c1ccc(F)cc1 72994131 LOJVOECLENUNEF-LBPRGKRZSA-N 312.348 3.092 0 40 DGAB Cc1cccnc1CNC(=O)N1CC[C@H](Cc2ccccc2)C1 74107381 HNYYDTXNHBCCQV-QGZVFWFLSA-N 309.413 3.164 0 40 DGAB O=C(NC[C@@]1(O)CCc2ccccc21)c1cccc2ccccc12 75155664 JGHIGVIWKFPCMA-NRFANRHFSA-N 317.388 3.404 0 40 DGAB Cc1cccc([C@@H](C)Sc2nnc(C3CCOCC3)n2N)c1 79038786 GHESLVZUOBYLMW-GFCCVEGCSA-N 318.446 3.048 0 40 DGAB Cc1noc(C)c1CN(CCc1ccccc1)[C@@H]1CCOC1 84023298 XRDZFMNXQFULOR-QGZVFWFLSA-N 300.402 3.125 0 40 DGAB O=C(c1ccc2c(c1)CCC2)N1CCC[C@@H]1c1noc(C2CC2)n1 84451903 XBZDBKZBHYGFAK-MRXNPFEDSA-N 323.396 3.413 0 40 DGAB Cn1ccnc(N[C@@H]2CCCOc3c2ccc2ccccc32)c1=O 84489210 LGZGZHPGZXSOIJ-MRXNPFEDSA-N 321.380 3.259 0 40 DGAB Cc1ncsc1C(=O)N[C@H](Cc1ccccc1)C(F)(F)F 89565461 JIPIQZSYDZOKHZ-LLVKDONJSA-N 314.332 3.355 0 40 DGAB CC(C)(C)c1ncc(CNc2cnn(-c3ncccn3)c2)s1 92844898 HTUGMIPEKZSYCQ-UHFFFAOYSA-N 314.418 3.028 0 40 DGAB COC[C@H](NC(=O)Nc1ccc2[nH]c(C(F)F)nc2c1)C1CC1 93352380 NAZOCFZWAUJQIL-LBPRGKRZSA-N 324.331 3.047 0 40 DGAB O=C(C[C@H]1CCCc2ccccc21)N1CCCC[C@H](CO)C1 95430139 XPIASBRTLZYMPZ-DOTOQJQBSA-N 301.430 3.118 0 40 DGAB N[C@H](c1ccc(Cl)cc1)c1nc(-c2ccc(F)cc2)n[nH]1 95533924 DBGMEVUYWDGVPN-CYBMUJFWSA-N 302.740 3.312 0 40 DGAB Cc1noc(C)c1CCC(=O)Nc1ccc(OC(C)C)nc1 95953799 VJYVLENDABLUEY-UHFFFAOYSA-N 303.362 3.045 0 40 DGAB Cn1cnc(-c2ccc(NC(=O)NCC3(C)CCCC3)cc2)n1 96013031 ZMVILSCOWBVOEJ-UHFFFAOYSA-N 313.405 3.184 0 40 DGAB FC1(F)CCN(CC2CC2)C[C@@]12CCN(c1cccnc1)C2 96051136 BVOLRCASRQZKOC-MRXNPFEDSA-N 307.388 3.029 0 40 DGAB Cn1ccc2c(C(=O)NCCc3nc4ccccc4[nH]3)cccc21 96117966 FUOXHJZXJYPNGV-UHFFFAOYSA-N 318.380 3.027 0 40 DGAB CO[C@H](CNC(=O)C1(c2ccc(F)cc2)CC1)c1ccsc1 96363503 CMXWTBYNILPTCP-OAHLLOKOSA-N 319.401 3.423 0 40 DGAB C[C@@H]1CN(C(=O)c2cccc(F)c2F)c2ccccc2NC1=O 96418498 DYKPNCWCIJXLHO-SNVBAGLBSA-N 316.307 3.200 0 40 DGAB CCCN1CCC(N2CCN(CCC3CCCC3)CC2)CC1 96424229 RFJLCXPOSLLNKS-UHFFFAOYSA-N 307.526 3.059 0 40 DGAB Cc1noc(C)c1CSc1nnc2n(C)c3ccccc3n12 96456782 MOXYJWWSLLDGSS-UHFFFAOYSA-N 313.386 3.118 0 40 DGAB CCCCN1CCc2ccc(NC(=O)Cc3cc(C)on3)cc21 96473553 FLMQUXPIWRPAAQ-UHFFFAOYSA-N 313.401 3.327 0 40 DGAB Cn1cnnc1CN[C@@H](c1ccc(F)cc1F)C1CCCC1 96492090 LSZKJQQLMXTSRG-MRXNPFEDSA-N 306.360 3.114 0 40 DGAB CC(=O)c1sc([C@H](C)CNC(=O)c2ccccc2)nc1C 96503013 YRNIMPKPRDBQHU-SNVBAGLBSA-N 302.399 3.188 0 40 DGAB O=C(NCCC[C@@H]1CCCCO1)N[C@@H]1CCc2ccccc21 97137936 MWIUEGSBKMSHQE-DOTOQJQBSA-N 302.418 3.322 0 40 DGAB CC(C)Oc1cccc(CN(C)C(=O)[C@@H](N)c2ccccc2)c1 97234172 IVPHVFKDEXDCKK-SFHVURJKSA-N 312.413 3.132 0 40 DGAB CCc1ccc(N2C(=O)C[C@@H](Nc3cccc(C)c3)C2=O)cc1 101275741 KQGDWPMIMLCXDK-QGZVFWFLSA-N 308.381 3.301 0 40 DGAB CCc1ccc([C@H]2COCCN2C(=O)NCCC2=CCCC2)o1 126049381 GLCAJMXDHSIQNQ-MRXNPFEDSA-N 318.417 3.425 0 40 DGAB COc1cccc(F)c1[C@@H](C)NC1CCC2(CC1)OCCO2 156054804 GMNFOEDVEIYUHV-GFCCVEGCSA-N 309.381 3.171 0 40 DGAB O=C(OC1CCOCC1)N1CCS[C@H](c2ccccc2)CC1 206989452 QZAFSDQPLCFQOP-INIZCTEOSA-N 321.442 3.482 0 40 DGAB Cc1cc(I)cc(C=O)c1OCC(C)C 225272297 QBOMNAHDFKTIAN-UHFFFAOYSA-N 318.154 3.447 0 40 DGAB Cc1cccc(NC(=S)N[C@H](C)COc2ccccc2C)n1 225638647 YZPCZSXJNIMVJX-CQSZACIVSA-N 315.442 3.452 0 40 DGAB Cc1ccc(O[C@H]2CCN(C(=O)CSC3CCCC3)C2)nc1 238942625 WCYOCWZGVIIZSC-AWEZNQCLSA-N 320.458 3.046 0 40 DGAB CC(C)N1CC[C@@H](Cc2cnc(-c3ccnn3C(C)C)cn2)C1 257232369 GKOVROSEIOFQCB-HNNXBMFYSA-N 313.449 3.194 0 40 DGAB CCOC(=O)C[C@@H](NC(=O)OC(C)(C)C)c1ccc(OC)cc1 575444760 JYYRENYCSOZWGI-CQSZACIVSA-N 323.389 3.214 0 40 DGAB Cc1cc(F)ccc1C1CCN(c2ccc(C(=O)O)nn2)CC1 578774905 VOPHWFQSGGGLLE-UHFFFAOYSA-N 315.348 3.006 0 40 DGAB O=C(O)c1ccnc(-c2cc(F)ccc2OC[C@H]2CCCO2)c1 582796327 CAGHCWNIAPYFJG-CYBMUJFWSA-N 317.316 3.144 0 40 DGAB C=CC(=O)N1CCC(c2nccc(-c3ccc(F)cc3)n2)CC1 585124876 XNCXQOQOUFQPFR-UHFFFAOYSA-N 311.360 3.175 0 40 DGAB COC(=O)c1c(NC(=O)c2cccs2)sc(C(C)=O)c1C 48754 IWFTUABZWXQIQJ-UHFFFAOYSA-N 323.395 3.360 0 40 DGAB COc1cc(S(=O)(=O)NC2CCCCCC2)ccc1Cl 79851 DOQAJZUGYWFJDO-UHFFFAOYSA-N 317.838 3.350 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2cc3ccccc3oc2=O)cc1 384530 MQEXFEDTHPIIHD-UHFFFAOYSA-N 322.316 3.141 0 40 DGAB Cc1ccc(-n2ncc3c2ncn2nc(C(C)(C)C)nc32)cc1C 543951 FZWQBBZQALUIPF-UHFFFAOYSA-N 320.400 3.378 0 40 DGAB COc1cccc([C@H]2N(c3ccccc3)C(=O)N3CCCN23)c1 551726 ZIXCPZCIOVHVRC-QGZVFWFLSA-N 309.369 3.257 0 40 DGAB COC(=O)c1cc(NC(=O)c2ccc(OC)cc2)ccc1Cl 564557 ZZOWAFWKGJOLCP-UHFFFAOYSA-N 319.744 3.388 0 40 DGAB Cc1cc(C)n(C(=O)c2ccc(NC(=O)c3ccccc3)cc2)n1 567066 MPTFFPOOSBSRIX-UHFFFAOYSA-N 319.364 3.441 0 40 DGAB O=C(c1ccccc1CN1CCC2(CC1)OCCO2)C1CCC1 2515756 MMBCHPHMLAFOBE-UHFFFAOYSA-N 315.413 3.008 0 40 DGAB COc1ccc(C(=O)OCc2cc(C(C)=O)ccc2OC)cc1 2653438 PPHAOQUBJLUXSL-UHFFFAOYSA-N 314.337 3.263 0 40 DGAB Cc1ccc(CN2C(=O)N/C(=C/c3ccccc3F)C2=O)cc1 4648635 QSNOZHJCNJQPDX-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB C[C@@H](CC(=O)O)CC(=O)Nc1ccc(Br)cc1F 4784866 DMQFGTGDGVCRPO-SSDOTTSWSA-N 318.142 3.028 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@H]4C=C[C@H](CC4)[C@H]3C2=O)cc1 5099955 LXKDCMXDCMYIEL-AZQPONJRSA-N 311.381 3.177 0 40 DGAB O=C(Nc1ccc(Cl)c(Cl)c1)N[C@@H]1CCCC[C@@H]1O 5568174 PMAMYTOKWXLKLC-NEPJUHHUSA-N 303.189 3.418 0 40 DGAB CC(=O)c1cccc(OC(=O)/C=C/c2ccc3c(c2)OCO3)c1 6857261 GJOMCQDZBINKHY-SOFGYWHQSA-N 310.305 3.237 0 40 DGAB COc1ccccc1-c1noc(COC(=O)C2CCCCC2)n1 7091133 VIJUJTKJKIKDSZ-UHFFFAOYSA-N 316.357 3.369 0 40 DGAB C[C@@H](NC(=O)CSC1=NCCS1)c1cc2ccccc2o1 7092454 MQYXCQZZZDSHOC-SNVBAGLBSA-N 320.439 3.446 0 40 DGAB C[C@H]1C[C@@H](C)CN(CC(=O)Nc2ccc(N3CCCC3)cc2)C1 7358914 IZEXBMZTKSAMGK-IYBDPMFKSA-N 315.461 3.203 0 40 DGAB CCOC(=O)c1ccc2nc(C)c(CN(CC)CC)c(O)c2c1 8714122 UOHAFIJGQQHYHO-UHFFFAOYSA-N 316.401 3.267 0 40 DGAB O=C(CN1C(=O)CC2(CCCCC2)C1=O)c1cccc(Cl)c1 9497694 VSJPYKXVLDQMDJ-UHFFFAOYSA-N 319.788 3.232 0 40 DGAB O=C(CS(=O)(=O)c1ccccc1)C12CC3CC(CC(C3)C1)C2 9614866 ORKPBLGQKBLNHD-UHFFFAOYSA-N 318.438 3.246 0 40 DGAB CCCc1cc(=O)[nH]c(SCC(=O)c2ccc(Cl)cc2)n1 11443620 NLBYEWPDQNPZIC-UHFFFAOYSA-N 322.817 3.351 0 40 DGAB Cc1oc(C2CC2)cc1C(=O)N[C@@H](C)Cn1nnc2ccccc21 12183290 PLYDTPMXHTVAFD-NSHDSACASA-N 324.384 3.029 0 40 DGAB Cc1ccc2c(c1)c1ncnc(N3C[C@H](C)O[C@H](C)C3)c1n2C 13162780 YJFASWNCROTCOJ-BETUJISGSA-N 310.401 3.044 0 40 DGAB COc1cc(C=O)cc2c1O[C@H](c1ccc3c(c1)OCO3)[C@@H]2C 13339976 YCQBSXRADODLES-QGHHPUGFSA-N 312.321 3.474 0 40 DGAB biogenic,in-vitro O=C(NC[C@@H]1COc2ccccc2O1)c1cc(Cl)ccc1F 14196984 DVAJUIGTQOPIKI-LLVKDONJSA-N 321.735 3.049 0 40 DGAB O=C(CCc1ncc(-c2ccccc2)o1)OCC(=O)c1ccc[nH]1 14401446 PJUTVZXEXYAZCA-UHFFFAOYSA-N 324.336 3.028 0 40 DGAB COc1cccc(NC(=O)CC[C@H]2Cc3ccccc3NC2=O)c1 14898326 AOIWVRMNTQOWPO-AWEZNQCLSA-N 324.380 3.225 0 40 DGAB C[C@@H](NC(=O)c1cncc(Br)c1)c1cccs1 17842128 BGQFSSFIBUQDFU-MRVPVSSYSA-N 311.204 3.397 0 40 DGAB COC(=O)c1sccc1NC(=O)c1ccc2ccccc2n1 18029754 VFRXCAUWZHTERS-UHFFFAOYSA-N 312.350 3.335 0 40 DGAB C[C@@H]1CC[C@H]2C(=O)N(CNc3cccc(Cl)c3)C(=O)[C@@H]2C1 18241449 GHTCTQKZYZCPNA-LERXQTSPSA-N 306.793 3.131 0 40 DGAB Cn1cc(-c2cncn2CCCOc2ccc(Cl)cc2)cn1 19719520 IIPHIENLCCOEAW-UHFFFAOYSA-N 316.792 3.406 0 40 DGAB O=C(O)[C@@H](c1c[nH]c2cc(F)ccc12)N1CCc2ccccc2C1 20745868 XOMHYUMIFAWCSJ-GOSISDBHSA-N 324.355 3.491 0 40 DGAB CC(=O)c1ccccc1NC(=O)c1cc(C)nc2onc(C)c12 21996190 ASTSUJDGQZIIHB-UHFFFAOYSA-N 309.325 3.295 0 40 DGAB Cn1c(NS(=O)(=O)c2ccc(Cl)cc2)nc2ccccc21 27924021 BIAKHENVXPDSHV-UHFFFAOYSA-N 321.789 3.028 0 40 DGAB CCc1ccccc1NC(=O)c1nn(C)c(C)c1Br 28304182 DXUZHYCEEMENNS-UHFFFAOYSA-N 322.206 3.306 0 40 DGAB O=C(Nc1nncs1)c1cc(-c2cccc(Cl)c2)on1 32830356 JTRKFTSPVMHLHX-UHFFFAOYSA-N 306.734 3.099 0 40 DGAB O=C(CCSc1ccc(C(=O)O)cc1)NC1CCCCC1 37429583 ATVLRUVRZRWOSZ-UHFFFAOYSA-N 307.415 3.316 0 40 DGAB O=C(NCCCN1CCCCC1)c1csc(-c2ccco2)n1 40052434 HHAIAXQDJPWDHT-UHFFFAOYSA-N 319.430 3.009 0 40 DGAB O=C(Nn1cnc2ccccc21)[C@@H]1CCC[C@H](C(F)(F)F)C1 40553356 PJTWZGHIZLOKHT-MNOVXSKESA-N 311.307 3.475 0 40 DGAB O=C(c1cc(-c2ccccc2)on1)N1CCO[C@@H]2CCCC[C@H]21 41110738 GVGZZFIAHVDCJN-HZPDHXFCSA-N 312.369 3.125 0 40 DGAB COc1ccccc1[C@@H](O)CNC(=O)Nc1ccc(C)cc1C 43142146 ICGPSSHTQLUOMV-INIZCTEOSA-N 314.385 3.167 0 40 DGAB CCc1nnsc1C(=O)N(C)Cc1ccc([C@@H]2C[C@@H]2C)o1 44889480 FDUSCMFRKAEFFL-GXSJLCMTSA-N 305.403 3.089 0 40 DGAB Cc1nc(Cc2nn3c(-c4ccccc4)nnc3s2)cs1 44916610 OOJUDVAHEMXSBJ-UHFFFAOYSA-N 313.411 3.209 0 40 DGAB Cc1cc(C(=O)N2CCCCC2)c2c(C)nn(C(C)(C)C)c2n1 44966026 VCEYLAFQDRKGOK-UHFFFAOYSA-N 314.433 3.429 0 40 DGAB COCCn1cc(NC(=O)N[C@@H](c2cccs2)C(C)C)cn1 44967126 RVXPJSBNANZBID-CQSZACIVSA-N 322.434 3.110 0 40 DGAB O=C(O)c1cnc(Cc2ccc(Cl)cc2)nc1N1CCCC1 49469056 HLONNQQCSCLZOJ-UHFFFAOYSA-N 317.776 3.019 0 40 DGAB O=C(NCCc1csc(N2CCCC2)n1)Nc1ccccc1 49717792 PKPJUHBOBIYCKR-UHFFFAOYSA-N 316.430 3.108 0 40 DGAB CCCc1cc(=O)n2c(-c3ccc(OC)cc3)csc2n1 55104391 VKWXNACRTIIYIC-UHFFFAOYSA-N 300.383 3.384 0 40 DGAB COc1ccccc1CNC(=O)[C@@H](C)Nc1ccc(C)cc1C 58107512 NRBRPYVLJFHUHK-OAHLLOKOSA-N 312.413 3.429 0 40 DGAB O=C(Nc1nc(-c2cccc3ccccc23)n[nH]1)c1cccnc1 58203201 KMYOUJPTNYGMQA-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CCN(C(=O)c1cc2cc(OC)ccc2nc1C)[C@H](C)COC 58209341 JRKHVNPFPBFASE-GFCCVEGCSA-N 316.401 3.049 0 40 DGAB O=C(NC[C@@H](O)c1ccccc1C(F)(F)F)[C@@H]1CC=CCC1 58218032 JCEHYCYRRQPNNA-BXUZGUMPSA-N 313.319 3.211 0 40 DGAB Cc1ccccc1[C@@H](C)NC(=O)c1csc(-c2ncccn2)n1 58231708 MUMPJSPNEOCTIN-GFCCVEGCSA-N 324.409 3.400 0 40 DGAB O=C(COC1CCCC1)Nc1ccnn1CCc1ccccc1 58330608 MRQUJTXDXNGAIM-UHFFFAOYSA-N 313.401 3.024 0 40 DGAB CCSCCC(=O)Nc1ccccc1OCCn1ccnc1 58330671 OTXAMOXEDNVHEH-UHFFFAOYSA-N 319.430 3.044 0 40 DGAB Cc1nc(-c2cccc(NC(=O)c3cc(Cl)ccn3)c2)no1 64330229 QZNABRPVNQFSPL-UHFFFAOYSA-N 314.732 3.346 0 40 DGAB CCCOc1cc(C)ccc1NC(=O)N(CCO)CC1CC1 65554186 RMMKMMDONLDSKM-UHFFFAOYSA-N 306.406 3.020 0 40 DGAB Cc1ccc2c(CC(=O)N[C@@H]3CCC[C@@H]3n3ccnc3)c[nH]c2c1 69654692 HICMIDBOIJNDIT-AEFFLSMTSA-N 322.412 3.125 0 40 DGAB CC(C)c1ccsc1C(=O)N(CCC(N)=O)c1ccccc1 69657071 KOZILYQOYNCJHG-UHFFFAOYSA-N 316.426 3.394 0 40 DGAB CC(=O)c1c[nH]c(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)c1 71882496 PQKCHZPRYDNJMN-VIFPVBQESA-N 319.430 3.462 0 40 DGAB COCCc1noc(CN(c2cc(C)ccc2C)C(C)C)n1 71904617 RAAKKNUEESMTQG-UHFFFAOYSA-N 303.406 3.290 0 40 DGAB O=C(c1ccc(Oc2cccc(Cl)c2)o1)N1CCOCC1 72264826 PFVHPGWBDAKKER-UHFFFAOYSA-N 307.733 3.198 0 40 DGAB CC[C@@H](NC(=O)/C=C/c1ccc(Cl)cc1)c1noc(C)n1 72309277 DYVIUMYBLROWAU-YSKGHYERSA-N 305.765 3.312 0 40 DGAB O=C(NCC1(CCO)CCCC1)Nc1cccc2cccnc12 72931499 KNTREJFLXPWDCT-UHFFFAOYSA-N 313.401 3.299 0 40 DGAB CC[C@@H](C)NC(=O)c1ccc(NC(=O)N2CCC2(C)C)cc1 75092066 PQGVORLZGCMXKY-GFCCVEGCSA-N 303.406 3.231 0 40 DGAB Cc1nn(C)c(Cl)c1[C@@H]1CCCN1C(=O)C[C@H]1C=CCC1 75602207 MJIBLPVMLMSKKJ-STQMWFEESA-N 307.825 3.402 0 40 DGAB CN(CCc1cccs1)C(=O)NC[C@@H]1CCO[C@@H]1C(C)(C)C 76087632 KUSLEZHLHPANJW-ZFWWWQNUSA-N 324.490 3.383 0 40 DGAB Cc1cc(C(=O)N2CCC[C@H]2c2ccc[nH]2)c2c(C)noc2n1 84083185 SDXMKTTUTXYMJQ-AWEZNQCLSA-N 310.357 3.145 0 40 DGAB CSc1nsc(NC(=O)N(C)CCc2cccs2)n1 89346499 JLDZPARIIVWMIS-UHFFFAOYSA-N 314.461 3.028 0 40 DGAB CC1(NC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CCCCC1 89919276 NNVZDXBADNAATA-UHFFFAOYSA-N 309.797 3.283 0 40 DGAB C[C@H]1CCCC[C@H]1OCCN1CCCN(CC(F)(F)F)CC1 89927803 BFBAKXMKZDHVNZ-LSDHHAIUSA-N 322.415 3.152 0 40 DGAB c1ccc(OC2CCN(Cc3cccc4c3OCO4)CC2)cc1 91681760 NYTILUZDRUCJLV-UHFFFAOYSA-N 311.381 3.459 0 40 DGAB CCNC(=O)Cc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 95393224 OHVMQRNZDQZHEF-UHFFFAOYSA-N 321.380 3.099 0 40 DGAB CC[C@@H](NC(=O)N[C@H]1CCOC2(CCCC2)C1)c1ccncc1 95426970 VLNZHJSGIRIXFC-JKSUJKDBSA-N 317.433 3.324 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc([S@](C)=O)c(F)c2)o1 95979406 HSICADZAIJPWJL-OAQYLSRUSA-N 309.362 3.036 0 40 DGAB Cc1oncc1C(=O)N(Cc1ccsc1)Cc1ccco1 96025723 AIOBNADTXZFOSF-UHFFFAOYSA-N 302.355 3.480 0 40 DGAB CO[C@@H](C(=O)NCc1coc(-c2ccccc2)n1)c1ccccc1 96423226 UXKAJWQJUZASSX-QGZVFWFLSA-N 322.364 3.346 0 40 DGAB CSc1ccc(NC(=O)N(CCO)C2CC2)cc1Cl 96447282 BHQRBWVBZUDFQL-UHFFFAOYSA-N 300.811 3.051 0 40 DGAB Cc1noc(C)c1[C@H](C)NC1CCN(c2nccs2)CC1 97036971 RGKCLBQFWXVLHT-JTQLQIEISA-N 306.435 3.068 0 40 DGAB COc1cc(-c2noc(CCCCCCC(C)=O)n2)ccn1 97164404 MZNOFMIUGXDLPE-UHFFFAOYSA-N 303.362 3.222 0 40 DGAB Cc1c(-c2ccccc2)nn2c(O)cc(-c3cccnc3)nc12 100219698 OOBCKGLMUFOZDY-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB Cc1nn(-c2ccccc2)c(O)c1-c1cc(C(F)(F)F)[nH]n1 101432269 HPFWGEHJSQFKPQ-UHFFFAOYSA-N 308.263 3.295 0 40 DGAB CN(C)C(=O)c1cccc(C(=O)N2CCC[C@@H]2c2ccccc2)c1 103065873 BDQMXQACOGWKGS-GOSISDBHSA-N 322.408 3.366 0 40 DGAB CCOc1ccc(C2=C[C@H](c3ccccc3)n3nnnc3N2)cc1 103570171 CNOYPXLJQVIFBJ-QGZVFWFLSA-N 319.368 3.128 0 40 DGAB Cc1noc(C)c1S(=O)(=O)N(C)CC[C@H]1CCC[C@@H](C)C1 108355553 GRPOQHVFFFHRNV-BXUZGUMPSA-N 314.451 3.128 0 40 DGAB O=Cc1c(Cl)cc(I)cc1Cl 113563734 MXFZNBCNKBQFAR-UHFFFAOYSA-N 300.910 3.411 0 40 DGAB CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CC 223817760 BNOPQYDIMVHWAH-MRXNPFEDSA-N 322.424 3.259 0 40 DGAB CC(C)[C@@H](C(=O)O)c1csc(NC(=O)OC(C)(C)C)n1 226076238 XSXMSVRSIZCNFY-SECBINFHSA-N 300.380 3.314 0 40 DGAB COc1cccc2c1OC1(CCN(C)CC1)[C@H]1CCCO[C@H]21 257231579 GHIWCIZNAMCYIF-GOEBONIOSA-N 303.402 3.020 0 40 DGAB O=C(C1=CCCC1)N1CC2(C[C@@H](OCC3CCCC3)CCO2)C1 306141486 VXTUQTLLEAAIDV-KRWDZBQOSA-N 319.445 3.064 0 40 DGAB C[C@H](CC(=O)O)CC(=O)N1CCCC[C@H]1Cc1ccc(F)cc1 571060121 JFPOPFQFBXITGN-BBRMVZONSA-N 321.392 3.250 0 40 DGAB CO[C@@H]1C[C@@H]2C[C@@H](Nc3ccc(-c4n[nH]c(C)n4)cc3)C[C@@H]2C1 575603471 BBYRYTHWTJXKLP-LOXOPEBLSA-N 312.417 3.396 0 40 DGAB CO[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]2c2ccc(C)o2)C12CCC2 584158413 VOXKZJJSJOXSPO-NUEKZKHPSA-N 318.417 3.392 0 40 DGAB Cc1nsc(N2CCC(c3ccc4cccnc4n3)CC2)n1 656214887 KBHCPRAECBWZPU-UHFFFAOYSA-N 311.414 3.174 0 40 DGAB CC(C)Oc1nc2cc(Br)ccc2cc1C(=O)O 685937138 LPTCSNSSJNIXSB-UHFFFAOYSA-N 310.147 3.483 0 40 DGAB CC(C)CNC(=O)N1CC(n2c(C(C)C)nc3ccccc32)C1 1888876241 UAXXNOIDDAFDCN-UHFFFAOYSA-N 314.433 3.382 0 40 DGAB Cc1ccc(-c2noc(COc3ccc4c(c3)OCO4)n2)cc1 34118 CMDKMKTUWDHFON-UHFFFAOYSA-N 310.309 3.353 0 40 DGAB O=C1N[C@@H](c2cccc(Br)c2)Nc2ccccc21 178970 XOHZKGIGICKJKC-ZDUSSCGKSA-N 303.159 3.303 0 40 DGAB CNC(=O)/C(=C\c1ccc(C(C)C)cc1)NC(=O)c1ccccc1 1104943 LKPLMTPGXVDQOQ-QGOAFFKASA-N 322.408 3.327 0 40 DGAB COc1cc(C)c([C@H](C)NC(=O)Nc2nccs2)cc1OC 43160084 GOEFXJBDXMWCQV-JTQLQIEISA-N 321.402 3.351 0 40 DGAB O=C(C[C@H](c1ccccc1)N1CCCCC1)OC[C@@H]1CCCO1 1569394 JPWQZUQDQORRCQ-ZWKOTPCHSA-N 317.429 3.326 0 40 DGAB COc1ccc(C(=O)O)cc1NC(=S)NC1CCCCC1 6275193 OVZDYDVVRNERIY-UHFFFAOYSA-N 308.403 3.013 0 40 DGAB C[C@H]1CCC[C@H](C)N1C[C@H](O)COc1ccc2c(c1)CCC2 6455780 BLXHPQHXJOYOKB-MPGHIAIKSA-N 303.446 3.178 0 40 DGAB CCCOC(=O)c1ccc(NC(=O)COc2ccccc2)cc1 1801431 HBRYRUSTHZTNEH-UHFFFAOYSA-N 313.353 3.271 0 40 DGAB COc1cccc(NC(=O)[C@H](C)N2CCc3ccccc3C2)c1 8754363 FYAYYWPXUWNOPO-AWEZNQCLSA-N 310.397 3.081 0 40 DGAB O=C(/C=C/c1cccs1)Nc1ccn(CCc2ccccn2)n1 58098279 NGWSNGXKLUNYLA-VOTSOKGWSA-N 324.409 3.234 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)NCC2CCCCC2)c1 10031123 YANAVKPRIALIDF-CQSZACIVSA-N 303.402 3.353 0 40 DGAB CC[C@@H](Oc1ccccc1C)C(=O)Nc1ccc(C(=O)O)cc1 20483215 RZDHDGQFPNMQDJ-OAHLLOKOSA-N 313.353 3.489 0 40 DGAB Cc1nn(C)c2c(NCc3ccccc3F)nc(C3CC3)nc12 57355989 NXYZZCPCBZAZBH-UHFFFAOYSA-N 311.364 3.300 0 40 DGAB O=C(C[C@@H]1OC(=O)c2ccccc21)Nc1cnc2ccccc2c1 44896401 KDBCDTDDWRXACI-KRWDZBQOSA-N 318.332 3.475 0 40 DGAB Cc1nc(NC(=O)/C=C/c2ccco2)ccc1Br 9064339 WRHJMDACAYPBDN-QPJJXVBHSA-N 307.147 3.397 0 40 DGAB C[C@H]1Oc2ccc(Nc3ncnc4sccc34)cc2NC1=O 9117832 VRWSJMOMFVIZBU-MRVPVSSYSA-N 312.354 3.154 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)NC[C@H](c2cccs2)N(C)C)o1 44949453 OMJQDAMLKOCLMK-CHWSQXEVSA-N 321.446 3.313 0 40 DGAB C[C@H]1CO[C@H](C)CN1C(=O)Cc1csc(-c2ccsc2)n1 36398606 JWCHNGIDZHMLEW-WDEREUQCSA-N 322.455 3.050 0 40 DGAB CCCCCC(=O)Nc1ccc(N2CCCC2=O)c(OC)c1 11257525 FEMZIWXMOPZTKC-UHFFFAOYSA-N 304.390 3.341 0 40 DGAB C[C@@H]1Cc2ccccc2N1C(=O)c1cncc(Br)c1 36697890 NGYMBXMENYISDF-SNVBAGLBSA-N 317.186 3.436 0 40 DGAB CC[C@H](Oc1ccccc1Cl)C(=O)NCCCN1CCCC1 20453884 WISLNHMAYJHMNA-HNNXBMFYSA-N 324.852 3.100 0 40 DGAB COCC1(C)CCN(Cc2nnc(-c3cccc(F)c3)o2)CC1 95459559 KJEYORJWJRRXGS-UHFFFAOYSA-N 319.380 3.124 0 40 DGAB CC(=O)N1N=C(c2ccsc2)C[C@H]1c1ccc2nccnc2c1 12322675 YOBUNYKPTRNWKL-KRWDZBQOSA-N 322.393 3.389 0 40 DGAB CCOCCCCNC(=O)Nc1ccc2c(c1)OC(C)(C)O2 47551961 FEAFZWTZULNZFF-UHFFFAOYSA-N 308.378 3.132 0 40 DGAB COc1ccc(CC(=O)N[C@H](C)c2cccc(F)c2)c(OC)c1 47531131 HDFGHXPRKAKUAG-GFCCVEGCSA-N 317.360 3.263 0 40 DGAB Cc1nn(C)cc1C(=O)N1[C@H](C)Cc2cc(F)ccc2[C@H]1C 95455932 WFTSTAPAOCKVST-ZYHUDNBSSA-N 301.365 3.016 0 40 DGAB O=C(CCc1cccnc1)NCc1ccc(C(F)(F)F)cc1 12624036 MVZPERSICSBYDP-UHFFFAOYSA-N 308.303 3.349 0 40 DGAB CN(C(=O)c1c(F)c(F)cc(F)c1F)c1ncccc1F 89364948 LWVUFAGJTZBJBT-UHFFFAOYSA-N 302.202 3.054 0 40 DGAB CCc1c(C(=O)NCC(F)(F)F)cnn1-c1ccc(C)cc1 12949071 SPSTWBPHIHHFIH-UHFFFAOYSA-N 311.307 3.035 0 40 DGAB Cc1nc(CSc2nc(Cc3cccs3)n[nH]2)oc1C 49517401 RLJPXBIVWLOOLI-UHFFFAOYSA-N 306.416 3.354 0 40 DGAB CCOc1ncccc1NC(=O)c1ccc(N2CCC(C)=N2)cc1 49705371 DFMPDZUNBGIURW-UHFFFAOYSA-N 324.384 3.319 0 40 DGAB CC[C@H](Oc1ccc(F)cc1)C(=O)Nc1onc2c1CCCC2 9305175 PZOKEXXQPHYOAM-HNNXBMFYSA-N 318.348 3.489 0 40 DGAB Cc1noc(C2(NC(=O)c3cc(F)cc(F)c3)CCCCC2)n1 65257833 MURKFGCECNKSMC-UHFFFAOYSA-N 321.327 3.246 0 40 DGAB CCN(CC)C(=O)c1cccc(NC(=O)c2c(C)noc2C)c1 9365167 NVGZPCHZVXJXKI-UHFFFAOYSA-N 315.373 3.026 0 40 DGAB O=C(COc1ccccc1-c1ccccc1)Nc1ccc[nH]c1=O 65551913 KLCYKRLSSRESFG-UHFFFAOYSA-N 320.348 3.059 0 40 DGAB Cc1cc2ncn(CC(=O)NCCc3ccccc3)c2cc1C 14360926 MWKWKRGPHGOPBY-UHFFFAOYSA-N 307.397 3.012 0 40 DGAB COc1cc2c(cc1OC)[C@@H](c1c(F)cccc1F)NCC2 20494132 OITCZALDDAQQAM-KRWDZBQOSA-N 305.324 3.217 0 40 DGAB O=C1/C(=C\c2ccccc2)N=C2SCN(c3ccccc3)CN12 9419323 VEELKNHCWIYXTC-LFIBNONCSA-N 321.405 3.394 0 40 DGAB Cc1ccc(CNC(=O)c2ccc(OCC(C)C)cc2)n1C 6875357 BFHXNHMMTZBYSN-UHFFFAOYSA-N 300.402 3.298 0 40 DGAB O=c1oc(-c2cccs2)nn1Cc1c(F)cccc1Cl 7248287 ZSDMDXSCKRZADP-UHFFFAOYSA-N 310.737 3.406 0 40 DGAB OCCN(Cc1csc(-c2ccoc2)n1)c1ccccc1 85822932 WXNJZUGVMDKAON-UHFFFAOYSA-N 300.383 3.402 0 40 DGAB O=C1CC[C@@H](N[C@@H]2CCCSc3ccc(Cl)cc32)CN1 95968067 IIFKTVBSKKYWEM-DGCLKSJQSA-N 310.850 3.135 0 40 DGAB CN/C=C1/C(=O)N(c2cccc(Cl)c2)C(=O)c2ccccc21 8554287 VNBDHZUSGHVYQR-XNTDXEJSSA-N 312.756 3.087 0 40 DGAB CO[C@H](C)c1nc(Cn2c([C@@H](C)O)nc3ccccc32)cs1 97082433 INULWCYHPFOHGJ-GHMZBOCLSA-N 317.414 3.302 0 40 DGAB CN(C(=O)C1CCCCC1)c1ccc2c(c1)nc1n2CCOC1 8654317 VYUOFGHWZJIIQQ-UHFFFAOYSA-N 313.401 3.110 0 40 DGAB COc1ccc(OC)c2c(O)c(CN3CCCCC3)c(C)nc12 8717485 DVJWTQBWDBKMKK-UHFFFAOYSA-N 316.401 3.252 0 40 DGAB CC(C)(C)c1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2CO)cc1 84284364 RIWPNEKFMTTZMO-NVXWUHKLSA-N 303.446 3.194 0 40 DGAB O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)c1cc[nH]n1 71070402 ATFULTHCRMVERG-UHFFFAOYSA-N 319.670 3.257 0 40 DGAB CC[C@@H](NC(=O)N1CCC(C)(CO)CC1)c1ccc(C)cc1 97377572 OPIZUVHKFUIGTJ-MRXNPFEDSA-N 304.434 3.250 0 40 DGAB COc1ccccc1C[C@H](C)CC(=O)Nc1nnc(C)s1 75134271 BYONHTYLRXLGTE-JTQLQIEISA-N 305.403 3.063 0 40 DGAB CC(C)n1cc(NC(=O)N[C@H](C)C[C@H](O)c2ccccc2)cn1 89894048 MVIKCRWAPAEMHM-CJNGLKHVSA-N 316.405 3.098 0 40 DGAB Cc1ccc(CS(=O)(=O)N[C@H](C)c2ccc(C)cc2)cc1 20483884 BVIBZBQABYLUHA-OAHLLOKOSA-N 303.427 3.484 0 40 DGAB CN(CCCNC(=O)C1=Cc2ccccc2OC1)c1ccccc1 36717775 NXVOMAZAFAVVFG-UHFFFAOYSA-N 322.408 3.105 0 40 DGAB COc1cc(C[C@H]2COC(=O)C2)ccc1OCc1ccccc1 35941401 FKRJBUYHQOXRCE-MRXNPFEDSA-N 312.365 3.380 0 40 DGAB in-vitro COC(=O)c1ccc(C(=O)Nc2cccc(-c3cc[nH]n3)c2)cc1 36763223 XVSJSUWHSUUKBT-UHFFFAOYSA-N 321.336 3.116 0 40 DGAB CCc1ccc(N2C(=O)[C@@H](N)[C@@H]2c2cccc(Cl)c2)cc1 72228031 BRYXSVAPUHOEDQ-HOTGVXAUSA-N 300.789 3.318 0 40 DGAB CCC(=O)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 72362204 PPXOXFMQSIQZON-CQSZACIVSA-N 311.385 3.385 0 40 DGAB COc1ccccc1C(=O)Nc1cnn(CCc2ccccc2)c1 72247330 RFCHJXDSZQIAMM-UHFFFAOYSA-N 321.380 3.387 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cc(C)ccn2)cc1 72211195 AQEIBTGLWKWPQO-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB Cc1ncc(/C=C/C(=O)N[C@@H](C)COc2ccccc2F)s1 78996272 QEWVYQWKTKRXLF-AEZGRPFRSA-N 320.389 3.188 0 40 DGAB COC(=O)c1cccc(NC(=S)N[C@@H]2C[C@@H]3CC[C@@H]2C3)c1C 225322009 GMNBAVQFLIEFOB-LALPHHSUSA-N 318.442 3.257 0 40 DGAB CC1CCN(C(=O)COC(=O)c2sccc2C2CC2)CC1 64124028 XNKCMUXNIPKEEP-UHFFFAOYSA-N 307.415 3.041 0 40 DGAB CNc1nc2c(s1)[C@@H](c1ccc(OC)cc1OC)CC(O)=N2 49545500 SFWGEJQBSDKNFO-SNVBAGLBSA-N 319.386 3.326 0 40 DGAB CC(C)c1ccccc1NC(=O)C(=O)NCCc1ccccc1 42646486 AWIHOTJYWYEIMQ-UHFFFAOYSA-N 310.397 3.107 0 40 DGAB CC(C)c1nnc(CN(C)[C@@H]2CCCN(c3ccccc3)C2)o1 81014393 HFTJPUUDTPGKLR-MRXNPFEDSA-N 314.433 3.294 0 40 DGAB CC[n+]1cc(Br)cc(-c2nc3ccc(N)cc3o2)c1 226777911 ZMTBAQFHAAWKDJ-UHFFFAOYSA-N 319.182 3.147 0 40 DGAB CCC[C@H](C)NC(=S)Nc1ccc(N2CCCC2=O)cc1 225383222 CLQSEBGOQPYQOP-LBPRGKRZSA-N 305.447 3.288 0 40 DGAB COC(=O)c1c[nH]c(SCc2cc(F)cc3cccnc23)n1 193548395 ZFNMOCZKYMWBDD-UHFFFAOYSA-N 317.345 3.176 0 40 DGAB Cc1ccccc1NC(=O)Nc1cnn(C2CCOCC2)c1 96104625 PUHJTUURWFFMAK-UHFFFAOYSA-N 300.362 3.187 0 40 DGAB CCS[C@@H]1CCC[C@@H](NC(=O)NCc2ncccc2C)C1 96452346 RBJUZOOJPFERCT-ZIAGYGMSSA-N 307.463 3.254 0 40 DGAB C[C@H]1CCCN(C(=O)[C@]2(C)CC(c3ccccc3Cl)=NO2)C1 96192907 AHFDAQIRFYYSBW-SJCJKPOMSA-N 320.820 3.482 0 40 DGAB CCOC[C@@H]1CN(Cc2ccco2)Cc2nn(CC3CC3)cc21 96060466 JNTAWYMDZMKISH-HNNXBMFYSA-N 315.417 3.022 0 40 DGAB CCNc1ccc(Cl)cc1NC(=O)c1cnc(C)nc1C 97233794 WNVQYOKUPTWEFM-UHFFFAOYSA-N 304.781 3.431 0 40 DGAB CCc1nc2ccccc2n1CC(=O)Nc1ccnn1C(C)C 22289977 VLMZBAAODCPIBJ-UHFFFAOYSA-N 311.389 3.015 0 40 DGAB O=Cc1ccc(N2CCCC(F)(F)C2)cc1Br 95081078 RBLYLTHHCOXQSF-UHFFFAOYSA-N 304.134 3.497 0 40 DGAB Cc1cn2c([C@@H]3CCCN(C(=O)c4cccnc4)C3)cccc2n1 257300417 RUECLLTXWWHPIV-MRXNPFEDSA-N 320.396 3.058 0 40 DGAB Cc1cncc([C@H]2CCCN(C(=O)/C=C/c3ccccc3)C2)n1 257222110 DRZGNNIZYYKDAL-FVNWOWOISA-N 307.397 3.204 0 40 DGAB O=C(c1cnco1)N1CCC(Cc2cccc3ncccc23)CC1 257331711 XTXZYDRCSYKUEB-UHFFFAOYSA-N 321.380 3.318 0 40 DGAB COc1cccc2c1CN(C(=O)NCC(F)(F)C(C)(C)C)C2 624388654 CTRLQQKQNHRPHY-UHFFFAOYSA-N 312.360 3.402 0 40 DGAB Cc1cc(C)n(C[C@@H](C)CNC(=O)c2ccc(Cl)cc2F)n1 48405907 JXVCIZBBVMEXJI-JTQLQIEISA-N 323.799 3.359 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1c(Cl)cccc1Br 1083806336 KBVNMKXWEIHDLZ-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB CCN(C(=O)c1ccnc(OCCOC)c1)c1ccccc1C 182698108 NBZOCOOMJKOJGC-UHFFFAOYSA-N 314.385 3.082 0 40 DGAB CCCCO[P@@](C)(=O)O[C@H](C(=O)OCC)C(F)(F)F 3183374 BBBFSMOJRZSRHP-LILOVNGRSA-N 306.217 3.137 0 40 DGAB COc1ccc(/C=C/C(=O)NCc2ccccc2F)c(OC)c1 5630839 SYGUUYHJZZMOQG-CSKARUKUSA-N 315.344 3.173 0 40 DGAB O=C(O)c1ccc2c(=O)n3c(nc2c1)/C(=C/c1ccccc1)CC3 12870233 LAMFLTUUFCDXCP-JLHYYAGUSA-N 318.332 3.039 0 40 DGAB COc1ccc(C(=O)Nc2cccc(C(=O)O)c2)cc1Cl 18051914 BXYLHKHVNVGWKN-UHFFFAOYSA-N 305.717 3.299 0 40 DGAB COc1ccc([C@H](C)NC(=O)Cc2cccc(F)c2)cc1OC 19934990 XDZUXVYOMJCTHF-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(Cc3cccc(C)c3)C2=O)cc1 8371550 XHBPTZRTGMCRNI-GZTJUZNOSA-N 306.365 3.396 0 40 DGAB Cc1nn(C)c2ncc(NC(=O)c3ccc4ncsc4c3)cc12 22895768 DHGNVMIVQNURMM-UHFFFAOYSA-N 323.381 3.139 0 40 DGAB O=C(CSc1ccc(-c2ccccc2)nn1)N1CCCCC1 4355389 HJNBJEUTFBUJOS-UHFFFAOYSA-N 313.426 3.248 0 40 DGAB O=C(/C=C/NC(=O)OCc1ccccc1)OCc1ccccc1 8665419 HDUHFEQMNKWXKK-VAWYXSNFSA-N 311.337 3.170 0 40 DGAB O=C(c1cccc(Oc2ccc(F)cc2)c1)N1C[C@H]2C[C@H]1CO2 575616371 NKNYNXNLPREBLD-WMLDXEAASA-N 313.328 3.231 0 40 DGAB O=C(NCc1cncc(C2CC2)c1)c1nc2ccccc2s1 575620699 UJHTYKXKPAWIPT-UHFFFAOYSA-N 309.394 3.499 0 40 DGAB COC(=O)c1ccc(OCCN2CCCc3ccccc32)cc1 40153350 UMSRDHDXOLKLLV-UHFFFAOYSA-N 311.381 3.305 0 40 DGAB CCCc1noc([C@@H](C)Nc2ccc(N3CCCC3=O)cc2)n1 40496491 ZDWCTNPSQWOHRK-GFCCVEGCSA-N 314.389 3.322 0 40 DGAB CCOc1ccccc1NC(=O)NC[C@H](O)c1ccccc1F 40513506 YWFXNKURUWKQRZ-HNNXBMFYSA-N 318.348 3.080 0 40 DGAB Cc1cccc(C(=O)NCCCN2CCc3ccccc3C2)c1C 32398949 XRMODWUPPZWNHZ-UHFFFAOYSA-N 322.452 3.482 0 40 DGAB COc1ccc([C@H]2C3=C(O)C[C@@H](C)CC3=Nc3ncnn32)cc1 102672968 XZFMTWLOJRDCAB-QFYYESIMSA-N 310.357 3.204 0 40 DGAB Cc1occc1C(=O)NCCCN(C(=O)OC(C)(C)C)C1CC1 53913505 LGUWUGLKCPJIGN-UHFFFAOYSA-N 322.405 3.107 0 40 DGAB Cc1ccc(C(=O)COC(=O)c2ccc(Br)o2)cc1 243360 OVICZZFIZJEIRM-UHFFFAOYSA-N 323.142 3.390 0 40 DGAB Clc1cc(N2CCN(c3ccccc3)CC2)c(Cl)nn1 271979 VNOJIPJLEGZLPD-UHFFFAOYSA-N 309.200 3.110 0 40 DGAB Cc1nn(C)cc1-c1nnc(-c2ccc(OC(F)F)cc2)o1 2806266 OCSYMZYBMBSMBC-UHFFFAOYSA-N 306.272 3.047 0 40 DGAB CCCCN1C(=O)S/C(=C\c2ccc(O)c(OC)c2)C1=O 4291611 NTTZMXXJIGVLQS-LCYFTJDESA-N 307.371 3.237 0 40 DGAB Cc1cccc(C)c1NC(=O)C(=O)NCCC1=CCCCC1 4838713 JUTSRQHJCOQCTN-UHFFFAOYSA-N 300.402 3.249 0 40 DGAB CCOc1ccccc1C(=O)Nc1cc(C(=O)OC)ccc1C 5610280 CNETZMBOPOIFBI-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB Cc1ccccc1NC(=S)NNC(=S)Nc1ccccc1 6632917 MYCVGOUTOWVFMN-UHFFFAOYSA-N 316.455 3.183 0 40 DGAB COc1ccc(Cl)c2c1N(CCc1ccccc1)C(=O)C2=O 6669848 BXVPASRWFQBCGN-UHFFFAOYSA-N 315.756 3.121 0 40 DGAB COc1ccc(C(=O)NCCCOC2CCCCC2)cc1OC 6988830 DFWPGPOMNJDMBB-UHFFFAOYSA-N 321.417 3.173 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2cccc(OC)c2)c1C 10442083 HUYVPRKJLCHBBV-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB CCCNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C 12935443 ZUVPJGBOWXBZGR-UHFFFAOYSA-N 311.307 3.339 0 40 DGAB Cc1nc2nc(C(C)C)c(-c3cccc(Cl)c3)c(N)n2n1 13638053 YPNRGVOCBKBBKV-UHFFFAOYSA-N 301.781 3.459 0 40 DGAB CCOC(=O)/C(=C(/F)S[C@H]1CCCC1=O)C(F)(F)F 13711675 VTCSSXLORZNDOO-MXMZYCHESA-N 300.273 3.148 0 40 DGAB C[C@@H](NC(=O)C[C@@](C)(O)C(F)(F)F)c1ccccc1Cl 14241756 FDACVLWNJYYLLA-PRHODGIISA-N 309.715 3.221 0 40 DGAB O=c1c2sccc2ncn1Cc1coc(-c2ccccc2)n1 14809847 NPHDPKXQPBUBGK-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CCOC(=O)c1ccccc1NC(=O)CNc1ccccc1F 15086673 XFVBEJFUSVQFDL-UHFFFAOYSA-N 316.332 3.053 0 40 DGAB CSc1ccc(CN(C)S(=O)(=O)c2cccs2)cc1 16083833 MMKKBZCKBZTXLI-UHFFFAOYSA-N 313.469 3.291 0 40 DGAB Cc1cc(NC(=O)C2CC2)n(-c2nc3ccc(F)cc3s2)n1 16851143 XFEXUEYIJJZCRN-UHFFFAOYSA-N 316.361 3.278 0 40 DGAB COc1cc(N)ccc1NC(=O)c1cccc(Br)c1 19476726 RVIXXRSUGRYBCT-UHFFFAOYSA-N 321.174 3.292 0 40 DGAB Cc1ccn2cc(C(=O)Nc3ccccc3OC(F)F)nc2c1 19681110 QILROXAMXDSCAU-UHFFFAOYSA-N 317.295 3.496 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N(C)Cc2ccc(Cl)s2)on1 22911277 JBZNRARGXUMWAJ-SECBINFHSA-N 313.810 3.157 0 40 DGAB COC(=O)CCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1 24990235 DHXCSQOMLKOOFL-UHFFFAOYSA-N 324.789 3.355 0 40 DGAB CC(C)n1nccc1NC(=O)CN[C@@H](C)c1ccc(Cl)cc1 25919863 ORNNRZMQYKEHOQ-LBPRGKRZSA-N 320.824 3.407 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N[C@H](C)CCCC(C)C)c(O)c1 27261543 OIMXRXUZTKOYKU-CQSZACIVSA-N 321.417 3.188 0 40 DGAB Cc1nn(Cc2ccccc2)c(C)c1NC(=O)c1cccnc1 28226196 CGYYCCDBAPQQBO-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB c1ccc2c(NCc3ccc(N4CCCC4)nc3)ncnc2c1 32779267 ZTEBXXWBZXKTDD-UHFFFAOYSA-N 305.385 3.237 0 40 DGAB CCc1cc(C(=O)Nc2ccc(OC)cc2)c2c(C)noc2n1 36621662 CTUJKFLZLDTFBZ-UHFFFAOYSA-N 311.341 3.355 0 40 DGAB CC(C)c1ccccc1-n1ccnc1S[C@@H]1CCOC1=O 40034720 SFFIYIUMEKHLQS-CQSZACIVSA-N 302.399 3.403 0 40 DGAB COc1cc([C@H](C)NC(=O)c2cc(C)on2)ccc1OC(C)C 41867815 KWPYZJAVBIHONJ-LBPRGKRZSA-N 318.373 3.270 0 40 DGAB C[C@H](NC(=O)C=C1CCCCC1)c1ccc(S(C)(=O)=O)cc1 55981014 JLNYLHXVYUDYBD-ZDUSSCGKSA-N 321.442 3.158 0 40 DGAB C[C@@H](NC(=O)NCc1ccc(F)cc1)c1nc2ccccc2[nH]1 65623509 HWPJRLUYKQDAGG-LLVKDONJSA-N 312.348 3.262 0 40 DGAB COc1ccccc1[C@H](NC(=O)CCC(C)C)c1noc(C)n1 70982386 NDUWVGCSBPAHDE-INIZCTEOSA-N 317.389 3.028 0 40 DGAB Cn1cc(CNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)cn1 71896070 YEEITDYGIVJTQL-NEPJUHHUSA-N 324.211 3.147 0 40 DGAB O=C(Nc1nc2ccccc2n1C1CCCC1)c1csnn1 72293744 FVZKTCAKKBEBPS-UHFFFAOYSA-N 313.386 3.255 0 40 DGAB Cc1csc([C@H]2CCCN(C(=O)CCc3ccco3)C2)n1 72298802 WUJVCMIZBNNRBZ-ZDUSSCGKSA-N 304.415 3.383 0 40 DGAB COc1ccc(C(=O)N2CCC[C@H](c3nc(C)cs3)C2)cc1 72298898 BVGLKFUXNYXJHJ-AWEZNQCLSA-N 316.426 3.480 0 40 DGAB O=C(Cc1cccc2cccnc12)N[C@H]1CCc2c(O)cccc21 74141765 MJEHLSJVKIDEIQ-KRWDZBQOSA-N 318.376 3.287 0 40 DGAB CC(C)Cn1ccnc1CNC(=O)N1CC[C@@H]2CCCC[C@@H]21 74536852 VFIRGYWDYKRRML-GJZGRUSLSA-N 304.438 3.013 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@H]1CCCN(Cc2cccs2)C1 75105096 QGJNVDQHOKYHSW-CQSZACIVSA-N 317.458 3.027 0 40 DGAB C[C@@H](NC(=O)c1ccnc(F)c1)c1ccc(-c2cncnc2)cc1 76091640 QVUKREPWMMMLGG-GFCCVEGCSA-N 322.343 3.169 0 40 DGAB O=C(CCCC1CCCCC1)N1CC[C@](O)(C(F)(F)F)C1 78025766 ZTZJPXLOSRBAFV-CQSZACIVSA-N 307.356 3.263 0 40 DGAB CCOc1ccccc1[C@H](C)OC(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 78556585 UGMFOGONHADQEZ-APHBMKBZSA-N 314.385 3.227 0 40 DGAB Cc1cc(CN2CC[C@@H](OCCCc3ccccc3)C2)on1 79503103 GXVXAZWDRIFVAS-QGZVFWFLSA-N 300.402 3.207 0 40 DGAB Cc1cn2c(n1)[C@@H](CNCC1=Cc3ccccc3OC1)CCC2 89702099 ZMIJGRPKULWBMC-QGZVFWFLSA-N 309.413 3.135 0 40 DGAB CCn1ccc2ccc(NC(=O)c3cncc(C(=O)OC)c3)cc21 91246110 KNDSKHIBECSXCP-UHFFFAOYSA-N 323.352 3.095 0 40 DGAB COC(=O)[C@@H](N[C@H](C)c1ccc(Cl)s1)c1cccnc1 92856717 QHZHQFKDEJFDIA-RNCFNFMXSA-N 310.806 3.361 0 40 DGAB COc1ccc(Cc2cnc(NC(=O)NCCCF)s2)cc1 95425716 CGHJXONNXXWMGN-UHFFFAOYSA-N 323.393 3.224 0 40 DGAB Cc1cccc(NC(=O)N(C)CCCn2ccnc2)c1Cl 95426840 MRLZHIREZSERDF-UHFFFAOYSA-N 306.797 3.399 0 40 DGAB Cc1nc(C2CCN(C(=O)CCCSC(C)(C)C)CC2)n[nH]1 95435936 JUWYRVZXACTJIY-UHFFFAOYSA-N 324.494 3.131 0 40 DGAB CC(=O)Nc1ccccc1CNc1cccc(-c2nc[nH]n2)c1 95437444 DKFWHEFDKCIPHC-UHFFFAOYSA-N 307.357 3.042 0 40 DGAB CS[C@@H]1CCC[C@H](NC2CCN(C(=O)C(C)(C)C)CC2)C1 95961918 IGAVZSWEJVOTJB-LSDHHAIUSA-N 312.523 3.287 0 40 DGAB COc1cc(F)c(NCc2ccccc2NC(C)=O)cc1OC 95978154 BUFIKDIBDRBCNS-UHFFFAOYSA-N 318.348 3.413 0 40 DGAB CN1C(=O)[C@@H](c2ccccc2)CC12CCN(Cc1ccco1)CC2 96061323 HUKMJPKQQPAFJX-GOSISDBHSA-N 324.424 3.260 0 40 DGAB Cc1cccc(NC(=O)[C@]2(C)CC(c3cccc(F)c3)=NO2)n1 96192972 QLJXPTGDUGCGQP-KRWDZBQOSA-N 313.332 3.051 0 40 DGAB Cc1cc(C)c(S(=O)(=O)N[C@H](C)c2cccnc2)cc1C 96286867 YAVULVLYCCURGN-CQSZACIVSA-N 304.415 3.046 0 40 DGAB CCc1nc(COc2cccc(NC(=O)c3ccco3)c2)no1 96428939 KECHKPMPJVUCRV-UHFFFAOYSA-N 313.313 3.056 0 40 DGAB C[C@@](Cl)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O 96518329 CUKNQAQOFLANQZ-JTQLQIEISA-N 315.605 3.176 0 40 DGAB O=C(NCCc1ccccn1)N[C@H]1CCCc2sccc21 97094845 XMXUHRNDPFUTQV-AWEZNQCLSA-N 301.415 3.062 0 40 DGAB CCc1nc([C@@H](C)NCc2nc(-c3ccco3)no2)cs1 97112269 LNVQTZXWCRAMMU-SECBINFHSA-N 304.375 3.199 0 40 DGAB O=C(O)c1ccc(C(=O)N2CCC[C@@H]2c2ccc(F)cc2)o1 97231582 QJGXAHMROYJQEG-GFCCVEGCSA-N 303.289 3.094 0 40 DGAB CC1(C)[C@H](NCCc2nnc3ccccn23)C[C@@H]1c1ccccc1 97379784 DUYITCFSRIAQLQ-IAGOWNOFSA-N 320.440 3.444 0 40 DGAB CCN(C(=O)[C@@]12CC[C@](C)(C(=O)O1)C2(C)C)c1cccc(C)c1 100266703 GETLWFGYMLNIOV-RTBURBONSA-N 315.413 3.470 0 40 DGAB CCc1ccc([C@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 101027523 SAQLLPHQPVGHCQ-QGZVFWFLSA-N 303.369 3.292 0 40 DGAB CC1(C)OC(=O)C2=C1NC(=O)C[C@H]2c1ccc(-c2ccccc2)o1 101720608 NKLMFHDOCIAWIF-LBPRGKRZSA-N 323.348 3.140 0 40 DGAB CS(=O)(=O)CCCN1CCC[C@H]1c1cccc2ccccc12 103141447 BRBPUWCDHPEWOT-SFHVURJKSA-N 317.454 3.411 0 40 DGAB CC[C@@]1(C)Oc2ccc(NCc3cc(C(N)=O)cs3)cc2O1 191097366 IDXBFZUDFJDSMV-INIZCTEOSA-N 318.398 3.357 0 40 DGAB C[C@@H]1[C@@H](OC(=O)c2cccnc2N(C)C)C[C@@H]2C[C@H]1C2(C)C 195528877 OGHLSNKDEIODIH-VIRABCJISA-N 302.418 3.375 0 40 DGAB CCOC(=O)C1(C(=O)OCC)C[Si](C)(C)CC[C@H]1CC 195760954 QJTYPBUTYFARKB-GFCCVEGCSA-N 300.471 3.237 0 40 DGAB Cc1cnc(NC(=O)[C@@]2(C)CC(c3cccs3)=NO2)s1 226747945 VHDNZUCHOLGKSQ-CYBMUJFWSA-N 307.400 3.035 0 40 DGAB Cc1cccc(O[C@@H]2CCN(C(=O)Nc3ccc(F)cc3)C2)n1 238881452 PJDRSLVCYXQYHO-OAHLLOKOSA-N 315.348 3.214 0 40 DGAB O=C(N1CC[C@@H](c2ccn[nH]2)C1)C1(c2ccccc2)CCCC1 257211015 BXCSGGJCNPOFHO-OAHLLOKOSA-N 309.413 3.238 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@]4(C)NCCC[C@@H]34)[nH]c2c1 257328535 XGCLPMRUQONQGJ-MJGOQNOKSA-N 311.429 3.223 0 40 DGAB COC(=O)c1coc(/C=C/c2nc(O)c3c(C)csc3n2)c1 390833158 CYCLSMZXQUTOQF-ONEGZZNKSA-N 316.338 3.255 0 40 DGAB COc1cccc(OC)c1/C=C/C(=O)Nc1ccc(F)cc1 409247772 NTMZAPZATZFLIG-ZHACJKMWSA-N 301.317 3.495 0 40 DGAB CC(=O)Nc1ccc(C(=O)N[C@@H](c2ccccn2)C2CCC2)cc1 529825963 SWGYVEPTGVWMQN-GOSISDBHSA-N 323.396 3.311 0 40 DGAB CC1(C)CCCN(c2ccnc(N[C@@H]3CCCOCC3)n2)C1 656154233 JDTOPCVESWDHGE-CQSZACIVSA-N 304.438 3.084 0 40 DGAB CC(C)C[C@@H](C(=O)N[C@H](CF)C(=O)O)c1ccc(Cl)cc1 1591118662 XGXDPJSPDSORCU-CHWSQXEVSA-N 315.772 3.009 0 40 DGAB Cc1cnc([C@@H]2CCCN(C(=O)c3cc4ccccc4[nH]3)C2)[nH]1 1848352220 OEZRYTOBAFTJCS-CQSZACIVSA-N 308.385 3.219 0 40 DGAB O=C(NC(=S)NCc1cccnc1)c1cccc2ccccc12 257690 RHLCNNOYBCCNIX-UHFFFAOYSA-N 321.405 3.039 0 40 DGAB COC(=O)C[C@H]1CN(C(=O)c2ccc(F)cc2)c2ccccc21 61997421 MPLJWECLZKFIGB-ZDUSSCGKSA-N 313.328 3.133 0 40 DGAB C[C@H](C1CC1)N(C(=O)NCc1cccc(-n2ccnc2)c1)C1CC1 74278778 ACIOLYLVXFZYGJ-CQSZACIVSA-N 324.428 3.345 0 40 DGAB O=C1c2cnn(-c3ccccc3)c2C[C@@H]2c3ccccc3CCN12 1396841 CVXBNHFEEGQFDN-GOSISDBHSA-N 315.376 3.168 0 40 DGAB COC(=O)C[C@H](C)SCc1cc(=O)oc2cc(C)ccc12 78819949 YTYAAZSMMKMAPR-NSHDSACASA-N 306.383 3.286 0 40 DGAB COC(=O)[C@@]1(Cc2ccccc2)Cc2c(C)ccc(C)c2C1=O 1646199 LPZPSVOHIIQMJG-FQEVSTJZSA-N 308.377 3.444 0 40 DGAB CC(=O)O[C@@H](c1ccnc2ccccc12)[C@H]1CC2CCN1CC2 1680258 AQPAKLCDHXUDCB-MOPGFXCFSA-N 310.397 3.323 0 40 DGAB COc1ccc(N2C(=O)CS[C@H](c3ccccc3)C2=O)cc1 1402929 UXXFTDDUWJSKEZ-MRXNPFEDSA-N 313.378 3.043 0 40 DGAB Cc1ccc(Nc2nc3nonc3nc2N2CCCCC2)cc1C 3894099 QXHFANWOIMBITI-UHFFFAOYSA-N 324.388 3.364 0 40 DGAB C[C@@H]1C[C@H]1C(=O)Nc1ccc(-n2nccc2C(F)(F)F)cc1 56200647 QAMFLWPMEJPUET-BXKDBHETSA-N 309.291 3.486 0 40 DGAB COC[C@@H](C)NS(=O)(=O)c1ccc(C2CCCCC2)cc1 7377049 IEISMOOVDVFOHY-CYBMUJFWSA-N 311.447 3.048 0 40 DGAB Cc1nc(-c2ccc(CCNC(=O)c3ccc[nH]3)s2)cs1 58152387 NDDZRHLUEPOZEB-UHFFFAOYSA-N 317.439 3.481 0 40 DGAB CCSCCC(=O)Nc1ccc2nc(NC(C)=O)sc2c1 58227867 ZLKQPQKRVFFPOR-UHFFFAOYSA-N 323.443 3.336 0 40 DGAB Cc1nc(NC(=O)[C@H]2CCCN(c3ccccn3)C2)sc1C 58246546 QDZHKKBFUJOEBC-ZDUSSCGKSA-N 316.430 3.010 0 40 DGAB CC(=O)NC(=S)Nc1cc(C(C)(C)C)cc(Cl)c1O 9140501 UANLCGZJWXUGLW-UHFFFAOYSA-N 300.811 3.176 0 40 DGAB O=C(CCc1cccs1)NC[C@H]1CCN(c2ccccc2)C1 27827297 RIXFPGRKACIZSY-OAHLLOKOSA-N 314.454 3.323 0 40 DGAB Cc1cccc(NS(=O)(=O)c2ccc3c(c2)CCCC3)n1 28248007 ZVDZNQGTRYXDPU-UHFFFAOYSA-N 302.399 3.070 0 40 DGAB COc1ccc(C(C)=O)cc1CN(C)Cc1c(C)noc1C 46407019 QXKICKFJXJUVHZ-UHFFFAOYSA-N 302.374 3.135 0 40 DGAB CN(C)Cc1ccccc1CNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2 108956907 MNJSXVUTJGKXPU-MPGHIAIKSA-N 300.446 3.191 0 40 DGAB OC1(c2ccc(F)cc2)C[C@@H]2CC[C@@H](C1)N2Cc1ccccn1 100159816 XHWFQYLHIBEOQQ-ROUUACIJSA-N 312.388 3.235 0 40 DGAB CCN(C)Cc1cccc(CNC(=O)NCc2ccccc2)c1 58050886 KEUMFDSCUTUOCV-UHFFFAOYSA-N 311.429 3.138 0 40 DGAB O=[S@@](CCSc1ncc2ccccn12)c1ccccc1 47221990 QEJVORRRXKSJTD-HXUWFJFHSA-N 302.424 3.234 0 40 DGAB Cc1ccc(OCC(=O)Nc2ccnn2[C@H](C)C2CC2)cc1C 27757508 QZCVGPKSWANLBS-CQSZACIVSA-N 313.401 3.488 0 40 DGAB O=C(C[C@H]1OC(=O)c2ccccc21)NCc1ccc(Cl)cc1 3263816 YDIPATKWPVKHKZ-OAHLLOKOSA-N 315.756 3.258 0 40 DGAB COc1cccc([C@H]2CCCN2C(=O)c2ccc(OC)nc2)c1 48273077 PXOKTTQTJMJQIV-MRXNPFEDSA-N 312.369 3.076 0 40 DGAB Cc1nc(C)c(-c2cc(C(=O)NC3CCCCC3)[nH]n2)s1 23125526 VBKVIDSCLJJMNO-UHFFFAOYSA-N 304.419 3.213 0 40 DGAB COC(=O)C1=C(C)N(C2CC2)C(=O)N[C@@H]1c1ccccc1Cl 12820780 YQMSQUXVNDCQRA-CQSZACIVSA-N 320.776 3.016 0 40 DGAB O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(Cn2ccnc2)c1 110567960 PMSDPHBJMIRGKE-ZYSHUDEJSA-N 323.440 3.374 0 40 DGAB Cc1ccc(/C=C/CC(=O)N(C)Cc2nnc(C3CC3)n2C)cc1 84774568 DOQNHKYCPNBNRA-SNAWJCMRSA-N 324.428 3.063 0 40 DGAB Cc1oc(-c2ccsc2)nc1CC(=O)NCCCOC(C)C 65611651 GDPPWKOGMSKFEH-UHFFFAOYSA-N 322.430 3.185 0 40 DGAB Cc1ccc(CN(C)C[C@H](O)COc2ccc(Cl)cc2)o1 14200849 GBRRASPWFNHKCN-AWEZNQCLSA-N 309.793 3.113 0 40 DGAB CON(C)C(=O)c1cn(Cc2ccccc2)nc1-c1ccccc1 14248049 VVTIWZXGICZYRG-UHFFFAOYSA-N 321.380 3.232 0 40 DGAB Cc1cccc(NC(=O)CSc2ncn(-c3ccccc3)n2)c1 4656054 MQIHUDMQCASDKI-UHFFFAOYSA-N 324.409 3.307 0 40 DGAB CCN1C[C@H](CN(C)Cc2ccccc2C#N)Oc2ccccc21 15583255 FAOSPZXKOZLJTK-SFHVURJKSA-N 321.424 3.278 0 40 DGAB Cc1nc(CN2CCC(CNc3cccc(F)n3)CC2)oc1C 71894596 SBMIAQVDJYWSGT-UHFFFAOYSA-N 318.396 3.150 0 40 DGAB COc1cccc([C@H]2SCC(=O)N2c2ncc(C)s2)c1 19926985 VKZHKTHHLPUXKX-CYBMUJFWSA-N 306.412 3.239 0 40 DGAB Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NC1CCCC1 8082016 FWNAJWCPYMAJRO-QGZVFWFLSA-N 316.445 3.198 0 40 DGAB C[C@@H](NC(=O)Cc1ccsc1)c1ccc(-n2ccnc2)cc1 9754432 WGQHLGFFACFSKQ-CYBMUJFWSA-N 311.410 3.354 0 40 DGAB Cc1cc(NC(=O)c2ccc(OCc3ccccc3)nc2)on1 69628123 KOJVVKIWFXLFNW-UHFFFAOYSA-N 309.325 3.209 0 40 DGAB Cc1ccc2[nH]c(C(=O)N3CCC[C@H](n4ccnc4C)C3)cc2c1 69740770 ABHFIYYBIJWQKM-INIZCTEOSA-N 322.412 3.459 0 40 DGAB O=C(c1ccc(F)c(F)c1)N1CC[C@@H](Nc2ccccc2)C1 69873762 LXMNKOIOEYUVAN-CQSZACIVSA-N 302.324 3.291 0 40 DGAB Cc1nnc(-c2ccccc2C(=O)O[C@H](C)c2nccs2)o1 97056110 PHRBVUCIBWHKNX-SECBINFHSA-N 315.354 3.420 0 40 DGAB CC(C)c1cc(O)n2nc(SCc3ccccc3)nc2n1 18240891 RJNOSVWSJYWYOS-UHFFFAOYSA-N 300.387 3.246 0 40 DGAB Cc1nc([C@@H]2CCCN(C(=O)c3ccccn3)C2)sc1C 72297348 WHMNLVGXUVUYBM-CYBMUJFWSA-N 301.415 3.175 0 40 DGAB Cc1nnc([C@@H](C)OC(=O)C2(c3cccc(Cl)c3)CC2)o1 84291363 SFQFSNLNJBXNRU-SECBINFHSA-N 306.749 3.367 0 40 DGAB COc1ccc(NC(=O)CCn2ccc3ccc(F)cc32)cn1 71288704 DTVJTTXIIZWKRG-UHFFFAOYSA-N 313.332 3.213 0 40 DGAB Cn1ccc(NC(=O)C2(c3ccc(F)cc3)CCCCC2)n1 84321603 AUCBDXSYVTZDPZ-UHFFFAOYSA-N 301.365 3.400 0 40 DGAB CC(C)C[C@H](NC(=O)N1CC[C@@H]([C@@H](C)O)C1)c1cccs1 97372692 TUFSJPBLLJZTTK-MCIONIFRSA-N 310.463 3.248 0 40 DGAB CCOc1ccc(/C=C2\SC(=O)N(C)C2=O)cc1OCC 408817957 XDFUUJZXTWFXBU-LCYFTJDESA-N 307.371 3.150 0 40 DGAB CCc1cc(N[C@H](C)c2cccc(N3CCOC3=O)c2)ncn1 95959046 YFQFBVAFTJQOSN-GFCCVEGCSA-N 312.373 3.169 0 40 DGAB Cc1cccc(OCC(=O)N2CCc3[nH]c4ccccc4c3C2)c1 9900161 NISXXJQEAOXAMY-UHFFFAOYSA-N 320.392 3.440 0 40 DGAB C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(F)c1F 89895003 JGENNSBSWOQDGF-ABAIWWIYSA-N 305.324 3.207 0 40 DGAB CC[C@@H]1CN(C(=O)C2CC2)CC[C@H]1NCc1ccc(Cl)o1 89948963 VZBIYSRSXNVHFT-BXUZGUMPSA-N 310.825 3.060 0 40 DGAB CCO[C@H]1C[C@H](O)C12CCN(c1ccnc3ccsc13)CC2 89986582 TVSLUXSDYLPJJN-GJZGRUSLSA-N 318.442 3.053 0 40 DGAB C[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1F 76056509 QOYHDRJWOWDHNZ-DCGLDWPTSA-N 304.409 3.123 0 40 DGAB CC(C)CC(=O)Nc1cc2[nH]c(O)nc2cc1Br 408535440 SRJDBAVOLVXPHO-UHFFFAOYSA-N 312.167 3.016 0 40 DGAB COc1ccccc1CNC(=O)[C@H](C)Oc1cccc(C)c1C 32480870 YDZFXNVMPOCAQW-HNNXBMFYSA-N 313.397 3.396 0 40 DGAB CC(C)c1nnc(CN2CCC[C@H]2COc2ccccc2)o1 79090743 JJQQMEHNEYXBFZ-AWEZNQCLSA-N 301.390 3.236 0 40 DGAB O=C(CNC1CCCC1)Nc1ccc(CN2CCCCC2)cc1 35313637 PFMJJNBJDBVSCZ-UHFFFAOYSA-N 315.461 3.143 0 40 DGAB CCNC(=O)[C@@H]1CCCN(Cc2c(Cl)cccc2Cl)C1 38832144 VLZREVRCEJWCTL-LLVKDONJSA-N 315.244 3.342 0 40 DGAB O=C(Nc1ccc(Cl)cc1)c1ccnc(C2CCNCC2)c1 72365604 UPJMWZQVDKEIEQ-UHFFFAOYSA-N 315.804 3.454 0 40 DGAB NC(=O)c1ccc(-c2ccc(Br)cc2Cl)o1 73638322 HLWMNJVPXQFJLI-UHFFFAOYSA-N 300.539 3.461 0 40 DGAB CC(=O)NC(=O)c1ccc(-c2ccc(Br)c(C)c2)o1 85346768 BMKBFHHCUBIGDR-UHFFFAOYSA-N 322.158 3.294 0 40 DGAB CCCC[C@@](C)(OCC)C(=O)Nc1ccc(OCCOC)nc1 225896440 CZLMQSRJOVFMIL-QGZVFWFLSA-N 324.421 3.031 0 40 DGAB CCc1cnccc1C(=O)N(Cc1ccccn1)c1ccncc1 195561128 CAYDGTAVQQIDEH-UHFFFAOYSA-N 318.380 3.281 0 40 DGAB CCOC(=O)c1ccc(NC(=O)C2(c3ccc(N)cc3)CC2)cc1 225325634 RUWNJZMPLOVPNF-UHFFFAOYSA-N 324.380 3.116 0 40 DGAB CCOc1cc(-c2nc3cc(C(=O)OC)ccc3[nH]2)ccc1O 85398430 QXPGWFVKQKIXKY-UHFFFAOYSA-N 312.325 3.121 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)N[C@@H](C)c2cccnc2)c1 43387940 CUNJKOVWRYTGIN-LBPRGKRZSA-N 313.357 3.059 0 40 DGAB COc1cccc(OC)c1CCC(=O)NCc1cccc(C)c1 225993055 ZMKRPMQIDDFCKR-UHFFFAOYSA-N 313.397 3.261 0 40 DGAB Cc1cn(-c2ccccc2)nc1O[C@@H](C)C(=O)NC1CCCC1 226851776 GSCLLXXXYQBZHZ-AWEZNQCLSA-N 313.401 3.007 0 40 DGAB COCc1ccccc1NC(=O)N[C@@H]1CC(C)(C)OC1(C)C 195552974 FLRNBQCTSXOXRI-CQSZACIVSA-N 306.406 3.301 0 40 DGAB O=C(O)[C@@H]1c2ccc(O)cc2CCN1c1ccc(Cl)cc1 95627609 BTPLOPHTNJGUOS-HNNXBMFYSA-N 303.745 3.234 0 40 DGAB CCCC[C@H](N)C(=O)N1CCC(Oc2ccccc2Cl)CC1 96499764 CHTVWKMMYMGYBE-HNNXBMFYSA-N 324.852 3.227 0 40 DGAB CCCOc1ccc(NC(=O)N[C@@H]2CCC[C@H]2CO)c(C)c1 96434213 AALGIJFYGJFAFK-XJKSGUPXSA-N 306.406 3.066 0 40 DGAB Cc1nn(CCO)c(NCc2ccc(-c3ccccc3)o2)c1C 96487567 DEITUYLNHIALRQ-UHFFFAOYSA-N 311.385 3.364 0 40 DGAB Cc1cc([C@@H](C)NC(=O)Nc2nc3c(s2)COCC3)c(C)o1 96410701 MGBZQBPJGPSCOF-SECBINFHSA-N 321.402 3.308 0 40 DGAB COC(=O)[C@]1(NC(=O)OC(C)(C)C)CC[C@@H]1Cc1ccccc1 242437252 BVDCGWOBJZAZMI-KDOFPFPSSA-N 319.401 3.076 0 40 DGAB Cc1cc(N(C)C)cc([C@H]2CCN(C(=O)c3ccsc3)C2)n1 257244974 INOJOSKZIXXDJM-ZDUSSCGKSA-N 315.442 3.147 0 40 DGAB O[C@]12N=C3CCCC[C@@H]3[C@]1(O)c1ccccc1-c1ccccc12 253573874 RXOQDDUDMAFGCY-SXLOBPIMSA-N 305.377 3.345 0 40 DGAB COc1cc(C(=O)c2ccc(C)c(F)c2)cc(OC)c1OC 95916961 BFRBSCRFIPCUEF-UHFFFAOYSA-N 304.317 3.391 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@H](C(=O)O)[C@@H](c2ccc(F)cc2)C1 44135976 VYYACTQOEBMBQB-UONOGXRCSA-N 323.364 3.251 0 40 DGAB Cc1cc(OC[C@H]2CCCN(c3cc(C4CC4)ncn3)C2)ccn1 1776001117 ZPHOHNOMALVVQB-HNNXBMFYSA-N 324.428 3.353 0 40 DGAB Cc1ccc(-c2nc(C(=O)N3CCO[C@@H]4CCC[C@@H]43)cs2)o1 56197911 NUOPLGPIOQPSKI-QWHCGFSZSA-N 318.398 3.105 0 40 DGAB FC(F)(F)c1ccnc(C2=N[C@@H](Cc3ccccc3)CO2)c1 1988181084 XRYUZAIXSTXRQH-ZDUSSCGKSA-N 306.287 3.489 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C]1c1nc(Br)c[nH]1 1560406122 XENPBDROUKOERJ-UHFFFAOYSA-N 315.191 3.083 0 40 DGAB COc1cc(OC)cc(C(=O)Sc2nc(C)cc(C)n2)c1 5537536 SCSDEOKKHMNSFH-UHFFFAOYSA-N 304.371 3.043 0 40 DGAB O=C(Nc1ccccc1)Nc1ccc2c(c1)nc1n2CCOC1 5209281 QRBYIBBETFZWFT-UHFFFAOYSA-N 308.341 3.211 0 40 DGAB O=S(=O)(c1cc(Cl)c(Cl)cc1Cl)n1ccnc1 5729246 GERZCJZAHSABIX-UHFFFAOYSA-N 311.577 3.080 0 40 DGAB C[C@H]1CN1C(=O)c1ccc(-c2ccc(C(=O)N3C[C@H]3C)cc2)cc1 17302054 FMIDQOJJFFHKGV-NAZSJPOASA-N 320.392 3.042 0 40 DGAB Cc1nn2c(O)cc(-c3ccccn3)nc2c1-c1ccccc1 19582049 OTUYAGKGYDCROD-UHFFFAOYSA-N 302.337 3.472 0 40 DGAB COc1ccc(C(=O)[C@H](C)Sc2nnc3ccccn23)cc1 5212921 FGHKOHOISKOSSR-NSHDSACASA-N 313.382 3.101 0 40 DGAB Cc1nc(COc2ccccc2C(=O)NC2CCCCC2)no1 12985102 ICQWOKWLSOQXLW-UHFFFAOYSA-N 315.373 3.020 0 40 DGAB FC(F)(F)c1ccccc1CN1CC(Oc2ccncc2)C1 1889130327 NSOAKYMVFDHRMM-UHFFFAOYSA-N 308.303 3.364 0 40 DGAB Cc1cnc(C)c(OC2CCN(Cc3ccccc3C)CC2)n1 2087137077 TVFZFJUISVUDCH-UHFFFAOYSA-N 311.429 3.445 0 40 DGAB O=C(Nc1nnc(S)s1)c1cccc(C(F)(F)F)c1 4072453 CIQVVAMPZGEKKF-UHFFFAOYSA-N 305.306 3.098 0 40 DGAB FC(F)(F)c1ccc(N2CC(N3C[C@@H]4CCC[C@H]4C3)C2)cn1 2298042588 VEIOMQHMCRWJRE-RYUDHWBXSA-N 311.351 3.021 0 40 DGAB CC(C)c1ocnc1CN1CCC(NC(=O)OC(C)(C)C)CC1 92802853 WTHIUZHSGMULKR-UHFFFAOYSA-N 323.437 3.287 0 40 DGAB Cc1cccc(Cc2c(C)nn(-c3nc(C)cc(C)n3)c2O)c1 101176379 NWPHXWCYADIPEV-UHFFFAOYSA-N 308.385 3.192 0 40 DGAB CC(C)(C)OC(=O)N1C[C@@H]2CC[C@H](C1)N2Cc1ccccc1 39156550 GTBQVLOYUBQHEV-IYBDPMFKSA-N 302.418 3.270 0 40 DGAB Cc1cccc(/C=C2\N=C(c3ccc4c(c3)OCO4)OC2=O)c1 61744 NUFPTZKJLOUZSL-ZSOIEALJSA-N 307.305 3.068 0 40 DGAB Cc1ccc(OCC(=O)Nc2nnc(C(C)C)s2)c(C)c1 107205 ROAPXRVCVAWBQP-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB O=C(NCc1cc(F)cc(F)c1)c1cc(-c2cccs2)[nH]n1 51315961 YENBMRUMXFXLKG-UHFFFAOYSA-N 319.336 3.346 0 40 DGAB Cc1cc(C)c2cc(C(=O)NCc3cccnc3N(C)C)[nH]c2c1 32689178 VKTDHBQPEMLWTO-UHFFFAOYSA-N 322.412 3.176 0 40 DGAB Cc1c(C(=O)O[C@@H](C(N)=O)c2ccccc2)oc2ccccc12 32869104 MUZOLCPOYGQFSD-MRXNPFEDSA-N 309.321 3.125 0 40 DGAB C[C@H]1c2ccsc2CCN1C(=O)c1cc(=O)[nH]c2ccccc12 52567967 LNIDJUYBYUNXNJ-NSHDSACASA-N 324.405 3.349 0 40 DGAB Cc1ccc(S(=O)(=O)NCCc2ccccc2)c(Cl)c1 32901251 JNOIMMQPFBKVJX-UHFFFAOYSA-N 309.818 3.169 0 40 DGAB Cc1cccc(-c2nc(NC(=O)COc3ccccc3C)no2)c1 21806520 OMYPJYYLTDKAGH-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccc(C)cc32)c(C)c1 316907 XZOYSIZUFBMFNF-LJQANCHMSA-N 309.365 3.025 0 40 DGAB O=C(CSc1nnc(-c2cccc(Cl)c2)o1)N1CCCC1 417679 XIJDGMSBVIZSBW-UHFFFAOYSA-N 323.805 3.105 0 40 DGAB Cc1ccc(C)c(OCCCC(=O)Nc2nnc(C)s2)c1 1779956 XOCKKUVDBUGHSS-UHFFFAOYSA-N 305.403 3.261 0 40 DGAB COC(=O)CSc1nn(-c2ccc(F)cc2)c(=S)s1 3420484 PNGBBOPTVZYPHQ-UHFFFAOYSA-N 316.404 3.067 0 40 DGAB O=C(NC[C@H]1COC2(CCCC2)O1)Nc1cccc(Cl)c1 4941417 NKQSARLMTFWSHZ-ZDUSSCGKSA-N 310.781 3.147 0 40 DGAB C[C@H](OC(=O)CC1CCCC1)C(=O)Nc1ccc(Cl)cn1 5528797 FJYYFPZTCJWZKP-JTQLQIEISA-N 310.781 3.186 0 40 DGAB CCCCN1C(=O)S/C(=C\c2ccc(C(=O)O)cc2)C1=O 5552445 OGMSJAFGSRCIOA-XFXZXTDPSA-N 305.355 3.221 0 40 DGAB Cc1ccc(O)c(C(=O)c2cnc3c4ccccc4nn3c2)c1 6585745 SXSQJZNNLVAYAV-UHFFFAOYSA-N 303.321 3.128 0 40 DGAB COC(=O)c1ccc([C@H]2SCC(=O)N2CCC(C)C)cc1 6585821 MBRIGYVLEVMHDV-OAHLLOKOSA-N 307.415 3.093 0 40 DGAB CN1CCN(c2ccccc2NC(=O)/C=C/c2ccccc2)CC1 7105703 DHWLWIPEFILBPT-VAWYXSNFSA-N 321.424 3.090 0 40 DGAB C[C@@H](Nc1ccc2c(c1)CCC2)C(=O)Nc1ccc2c(c1)OCO2 7242347 YADBOTCOGAIMOS-GFCCVEGCSA-N 324.380 3.343 0 40 DGAB C[C@H](C(=O)NCc1ccccc1)N1CC=C(c2ccccc2)CC1 7417772 CIFYCSZJBZOONA-QGZVFWFLSA-N 320.436 3.481 0 40 DGAB CCOc1cc(C(=O)O)ccc1OCc1ccc(C(=O)O)cc1 7604106 ZAFUOWDINDGTIY-UHFFFAOYSA-N 316.309 3.061 0 40 DGAB C[C@@H](Nc1ccc(N2CCCC2=O)cc1)C(=O)Nc1ccccc1 7848419 PKZCRSIKAXOREJ-CQSZACIVSA-N 323.396 3.253 0 40 DGAB COc1ccccc1N(Cc1cc(=O)[nH]c2ccccc12)C(C)=O 9215846 XXGMYJOEXXRADW-UHFFFAOYSA-N 322.364 3.090 0 40 DGAB O=C1N[C@H](c2ccc(OC[C@@H]3CCCO3)cc2)Nc2ccccc21 10950900 WGJORPPSGABNPC-MAUKXSAKSA-N 324.380 3.099 0 40 DGAB COc1cc(C(=O)N[C@@H](C)c2c(C)n[nH]c2C)c2ccccc2n1 12198236 HLDYNOJNHRHAIC-JTQLQIEISA-N 324.384 3.074 0 40 DGAB Cc1csc(NC(=O)c2cncn2-c2ccc(F)cc2)n1 12532366 WVGGAWMCFBWPNK-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB O=C(Nn1cnc2ccccc21)c1ccc(Br)cc1 12551803 DKLNKECRKRJXCR-UHFFFAOYSA-N 316.158 3.183 0 40 DGAB CCc1ccc([C@@H](C)NC(=O)CN(C)Cc2ccco2)cc1 12867281 MWMJVNYQJMHRTC-CQSZACIVSA-N 300.402 3.151 0 40 DGAB Cc1cc(C)c(C(N)=O)c(Oc2ccc(Br)cc2)n1 12973841 QISQECRNPDEVKP-UHFFFAOYSA-N 321.174 3.352 0 40 DGAB Cc1ccc(Nc2nc(N(C)C)nc3nccnc23)cc1Cl 13010948 ACFVVMFXMPXIQP-UHFFFAOYSA-N 314.780 3.191 0 40 DGAB COc1cccc(/C=C/C(=O)Nc2nc(C(C)=O)cs2)c1 14020438 FBEXUYSPIBUAHN-VOTSOKGWSA-N 302.355 3.006 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2ccc(N3CCCC3)cc2)cc1 14910580 NGOYJJHDCXRWME-UHFFFAOYSA-N 323.396 3.498 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)C1=Cc2ccccc2OC1 15514522 FLVZFQJRKKUZKF-UHFFFAOYSA-N 318.376 3.303 0 40 DGAB CC(C)[C@@H](NC(=O)Nc1ccccc1)C(=O)Nc1ccccc1 16026998 FIPVFXKEYUCTQL-MRXNPFEDSA-N 311.385 3.471 0 40 DGAB N=C(N)SCc1cccc2c(CSC(=N)N)cccc12 16969469 PARYSYUEAATWOM-UHFFFAOYSA-N 304.444 3.093 0 40 DGAB Cc1cc(C)n(-c2cccc(CN3C[C@@H]4CCCN4C[C@@H]3C)c2)n1 19574808 CDDJIMDNYZXHOL-PXNSSMCTSA-N 324.472 3.158 0 40 DGAB CCC(=O)Nc1ccc2nc(NC(=O)c3ccco3)sc2c1 20411025 JOVPPIUEUFRWOM-UHFFFAOYSA-N 315.354 3.490 0 40 DGAB CCc1ccc(C(=O)NC[C@@H](c2cccs2)N(C)C)cc1 21670126 QWYWUBQOHSPZBJ-HNNXBMFYSA-N 302.443 3.343 0 40 DGAB Cc1ccc(-c2noc(-c3cccc(OCC(=O)O)c3)n2)cc1 22119922 VFTXBFUFVVNOOV-UHFFFAOYSA-N 310.309 3.175 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1cc(-c2ccco2)n[nH]1 23055831 HIQGFPPSIHIYTI-AWEZNQCLSA-N 307.353 3.477 0 40 DGAB NC(=O)Cc1ccc(NC(=O)c2csc3ccccc23)cc1 24489992 STTHULJPQXRBCT-UHFFFAOYSA-N 310.378 3.181 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)OCc1nnsc1Cl 24503504 YOEOKGLUINAJSC-UHFFFAOYSA-N 307.762 3.338 0 40 DGAB C[C@H](NC(=O)N(C)Cc1nc2ccccc2s1)[C@H]1CCCO1 26401358 AHTCBYUTCACEDS-WCQYABFASA-N 319.430 3.005 0 40 DGAB O=C(N[C@H]1CCCc2ccccc21)c1ccc(Cn2cccn2)o1 27981508 IRUZEPDFCAHRBO-KRWDZBQOSA-N 321.380 3.332 0 40 DGAB COc1cc(NC(=O)Cc2ccccc2)c(C(C)=O)cc1OC 30822814 CFSSQMZYNQBJDH-UHFFFAOYSA-N 313.353 3.088 0 40 DGAB O=C(Nc1nccs1)C1CCN(c2ccc(Cl)cn2)CC1 32481451 IIZASZMHQHSWEC-UHFFFAOYSA-N 322.821 3.047 0 40 DGAB O=C(NCC1(c2cccs2)CC1)c1ccc2nsnc2c1 38593005 PMNCWLIMGZXUGD-UHFFFAOYSA-N 315.423 3.214 0 40 DGAB CC(C)c1ccc2cc(C(=O)NCCCn3cccn3)[nH]c2c1 40091806 DAHPDNIVRXKQIA-UHFFFAOYSA-N 310.401 3.308 0 40 DGAB C[C@@H]1C[C@@H](C)CN(CCCNC(=S)Nc2ccccc2F)C1 44140371 CRUYUDPGENQQIF-ZIAGYGMSSA-N 323.481 3.480 0 40 DGAB Cc1ccnc(C(=O)c2ccc(I)cc2)c1 45028608 FVBFFQHVRICVFI-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CC(C)(C)C(=O)NCC(=O)N1CCC[C@H]1c1ccc(Cl)cc1 45152919 JMQNGVKKIXKNFK-AWEZNQCLSA-N 322.836 3.166 0 40 DGAB O=C(CCc1ccccc1Br)Nc1ncccc1O 48268719 PSOIQIMXFXZGIK-UHFFFAOYSA-N 321.174 3.121 0 40 DGAB CC(=O)c1ccc(OCC(=O)N(C)Cc2ccc(F)cc2)cc1 49514889 JOLLLYQWPXHUQQ-UHFFFAOYSA-N 315.344 3.066 0 40 DGAB O=C(Nc1nccs1)N[C@H](c1ccc(F)cc1)[C@H]1CCCO1 57197509 PEINLQPMLNBPGW-CHWSQXEVSA-N 321.377 3.324 0 40 DGAB Cc1cc(C(=O)Nc2cccc(-c3cn4c(n3)CCCC4)c2)no1 57358035 NSUUBHTYZITHEG-UHFFFAOYSA-N 322.368 3.435 0 40 DGAB CCOCCCCNC(=O)NC[C@@H](Nc1ccccc1)C(C)C 58155777 VVYDHWCNUBRQFM-QGZVFWFLSA-N 321.465 3.239 0 40 DGAB CCOc1ncccc1C(=O)Nc1ccccc1-c1nnc(C)o1 58182640 XFMWPYPWAUXGAG-UHFFFAOYSA-N 324.340 3.091 0 40 DGAB CC(C)N1CC[C@H](CNC(=O)Nc2ccc(Cl)cc2F)C1 58316047 FUIPFOBXZMMVEV-LLVKDONJSA-N 313.804 3.331 0 40 DGAB C[C@H](O)CN(Cc1nc(Cc2ccccc2)no1)c1ccccc1 58330226 JFMBWDDIQMDWLA-HNNXBMFYSA-N 323.396 3.048 0 40 DGAB CCN(CCNc1nn2cc(C)nc2s1)c1cccc(C)c1 58381669 DFWJNUQYTJHFCK-UHFFFAOYSA-N 315.446 3.346 0 40 DGAB CN(C)C(C)(C)CNC(=O)c1cc(C2CC2)nc2ccccc12 60795645 VFACTUDTWCHJJX-UHFFFAOYSA-N 311.429 3.182 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)N1CCC[C@H]1C(C)C 63815096 USGKJVANTKECSJ-HNNXBMFYSA-N 313.401 3.142 0 40 DGAB O=c1[nH]c(-c2cnccn2)nc2ccc(-c3ccccc3)cc12 65585463 QPUSIJOPTJUVFJ-UHFFFAOYSA-N 300.321 3.047 0 40 DGAB Cc1nc2c(NCc3nc4cc(C)c(C)cc4[nH]3)ncnc2o1 67833868 UEKHOOVSPVGRPG-UHFFFAOYSA-N 308.345 3.031 0 40 DGAB O=C(NCCc1coc(-c2ccccc2)n1)c1ccc(F)cc1 69392969 BZWYTESKNUAZMB-UHFFFAOYSA-N 310.328 3.453 0 40 DGAB C/C=C/C=C/C(=O)Nc1ccc(Oc2cccc(C(N)=O)c2)nc1 69459389 BWVJYCGZUYZDQN-CRBCFSCISA-N 323.352 3.044 0 40 DGAB Cc1csc(CNC(=O)Nc2cccc3c2ccn3C)n1 69582491 QHWCIMADQYKVSE-UHFFFAOYSA-N 300.387 3.265 0 40 DGAB CC[C@@H](C)[C@H](C(=O)Nc1ccc(CC(N)=O)cc1)c1ccccc1 69632674 LBJOTSIMOHVTCI-KUHUBIRLSA-N 324.424 3.483 0 40 DGAB O=C(NC[C@H]1CCN(CCc2ccccc2)C1)C1CCCCC1 69657897 RYOKXTVOKKQAFI-GOSISDBHSA-N 314.473 3.248 0 40 DGAB C[C@H](c1ccccc1Cl)N(C)C(=O)[C@@H]1CC12CCNCC2 70254019 ZJXORVNBMHJCTO-OCCSQVGLSA-N 306.837 3.249 0 40 DGAB Cc1cc(C(=O)Nc2ccnc(Sc3ccccn3)c2)on1 71185534 ZKAFOFLPDFMMDK-UHFFFAOYSA-N 312.354 3.177 0 40 DGAB N[C@@H]1C(=O)N(c2ccc(C(F)(F)F)cc2)[C@H]1c1cccs1 72227117 VROHEIWMFYHSQD-RYUDHWBXSA-N 312.316 3.182 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)c2c[nH]c(C)n2)c2ccccn2)cc1 72286332 NBUKPLURZCZHQT-QGZVFWFLSA-N 320.396 3.135 0 40 DGAB COCCN1CCC[C@H]1c1csc(Nc2ccccn2)n1 72384648 GPERPTVPYUKLEC-ZDUSSCGKSA-N 304.419 3.065 0 40 DGAB Cn1cnnc1-c1ccc(NC(=O)CSc2ccccc2)cc1 73833391 JFFNVIBJIJSTHJ-UHFFFAOYSA-N 324.409 3.213 0 40 DGAB Cc1noc(C2(c3cccc(C(F)(F)F)c3)CCOCC2)n1 75134664 HYOGENVSUQPTDT-UHFFFAOYSA-N 312.291 3.493 0 40 DGAB O=C(NCc1cnn2ccccc12)c1cccc2ccccc12 75162751 XTJCQJYRLPVOOL-UHFFFAOYSA-N 301.349 3.418 0 40 DGAB Cc1occc1C(=O)N[C@@H]1CCC[C@H]1CNC(=O)OC(C)(C)C 76023141 YSSKKAQFPMDKGZ-GXTWGEPZSA-N 322.405 3.011 0 40 DGAB CN(Cc1cscn1)C(=O)[C@H]1C[C@@]12CCCc1ccccc12 76082834 ATVVFMYZAOPTCU-SJLPKXTDSA-N 312.438 3.396 0 40 DGAB CCS[C@@H]1CCCC[C@@H]1NC(=O)NCc1cc(CC)no1 78333686 ZMFVURBRLZIQMZ-UONOGXRCSA-N 311.451 3.101 0 40 DGAB CCOC(=O)c1csc(N(C(=O)c2ccoc2C)C2CC2)n1 78869248 YDUOYQUSIFNARO-UHFFFAOYSA-N 320.370 3.030 0 40 DGAB CCN(Cc1cc(Cl)ccc1Cl)C(=O)[C@@H](N)C(C)C 79420368 HHEVAFQSDTYFPV-ZDUSSCGKSA-N 303.233 3.325 0 40 DGAB CC(C)[C@H](N)C(=O)N(Cc1c(F)cccc1Cl)C(C)C 79420403 HYGFPBHBHJYMDH-AWEZNQCLSA-N 300.805 3.199 0 40 DGAB Cc1ccccc1NC(=O)NC[C@@]1(O)CCc2ccccc2C1 85560526 AIUQMJVBJPJHLK-LJQANCHMSA-N 310.397 3.037 0 40 DGAB COC(=O)[C@@H]1CCN(C(=O)CCC(F)(F)F)c2ccccc21 89228738 JDHHTZIZJDEIOP-LLVKDONJSA-N 315.291 3.022 0 40 DGAB Cc1noc(C)c1N(C)C(=O)C[C@@H]1OCCc2ccsc21 89532476 KRBKARXBAXEQAB-LBPRGKRZSA-N 306.387 3.020 0 40 DGAB O=C(Nc1ccc(CCO)cc1)[C@H]1SCCc2ccccc21 89865425 LYMUQNWOCYKXJY-KRWDZBQOSA-N 313.422 3.191 0 40 DGAB C[C@@H](NCc1ccc(-n2cncn2)c(F)c1)c1ccc(F)cc1 95348764 HPJAUEMZYLVJLF-GFCCVEGCSA-N 314.339 3.396 0 40 DGAB C[C@@H](Cc1nc2ccccc2s1)NCCCn1cccn1 95419843 SXZXLILGPWMQTF-ZDUSSCGKSA-N 300.431 3.104 0 40 DGAB C[C@H](N[C@@H](CO)Cc1c[nH]c2ccccc12)c1cccs1 95422557 SWWTVZSJSRQELA-GXTWGEPZSA-N 300.427 3.484 0 40 DGAB CS[C@H]1CC[C@H](NC(=O)N(C)[C@@H](C)Cc2ccc(O)cc2)C1 95436946 VISPBCRVSAADKV-NOLJZWGESA-N 322.474 3.249 0 40 DGAB Cn1ccc2c(NC(=O)c3cc(-c4ccco4)[nH]n3)cccc21 95475226 BAYHBEXJINTNLX-UHFFFAOYSA-N 306.325 3.414 0 40 DGAB COCC1(C)CCN(C(=O)Nc2ccc(F)c(F)c2F)CC1 95983841 UJYZYAXRRMAINB-UHFFFAOYSA-N 316.323 3.384 0 40 DGAB Cc1noc(C)c1CN1C[C@@H]2C[C@H](C1)CN2Cc1cccs1 96058489 HSVYZNUYWNRRNW-CABCVRRESA-N 317.458 3.059 0 40 DGAB COC(=O)NCc1ccc(NC(=O)c2ccc3[nH]ccc3c2)cc1 96409237 DMPBETWHLKWTHF-UHFFFAOYSA-N 323.352 3.276 0 40 DGAB COC[C@H](NC(=O)Nc1nc2c(s1)CCCC2)c1ccco1 96445870 DSDPLJQWZLSSQO-NSHDSACASA-N 321.402 3.124 0 40 DGAB C[C@@H](Sc1ccccn1)C(=O)N1CCC[C@H]1c1ccc[nH]1 96461095 XYVGAOSMACTSKE-OCCSQVGLSA-N 301.415 3.254 0 40 DGAB COc1cc(Br)ccc1C(=O)N(C)c1cccnc1 96731213 MLOVOBQKAYPTNZ-UHFFFAOYSA-N 321.174 3.129 0 40 DGAB CN(Cc1ccc(SC(F)F)cc1)CC1CCNCC1 97019941 SQXJIHRZCSBPAF-UHFFFAOYSA-N 300.418 3.433 0 40 DGAB CCCN(C(=O)NCc1cn(C)nc1-c1ccccc1)C1CC1 97083299 CILJLUGYZPJJGS-UHFFFAOYSA-N 312.417 3.171 0 40 DGAB Cc1cc(NC(=O)CCN[C@@H](C)c2cc3ccccc3o2)no1 97111344 CBVHWMPOQYIALZ-LBPRGKRZSA-N 313.357 3.409 0 40 DGAB Cn1cccc1[C@@H]1COCCN1C(=O)c1ccc(F)cc1Cl 97144190 PWJNOLRRNHLXTM-HNNXBMFYSA-N 322.767 3.031 0 40 DGAB COc1ccc(CCNCc2c[nH]nc2C(C)(C)C)cc1OC 97159604 ABBITSRZFPVXQD-UHFFFAOYSA-N 317.433 3.057 0 40 DGAB C1CCC([C@@H](NC2CCN(C[C@@H]3CCOC3)CC2)C2CC2)CC1 97238627 YIVQIFUZJORSTP-OXJNMPFZSA-N 320.521 3.436 0 40 DGAB CCC(=O)NC1C[C@H]2CCC[C@H](C1)N2Cc1ccc(C)cc1 100425355 UUXMIMRJZGIOPE-QZTJIDSGSA-N 300.446 3.407 0 40 DGAB COc1ccc(Cl)cc1C(=O)N1CCC[C@@H]1[C@@H]1CCCN1C 106778991 FYPVPNGQKGWZRX-LSDHHAIUSA-N 322.836 3.047 0 40 DGAB CNC(=O)c1cccc(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1 129218058 RLDUFMIBRFXVRI-ZIAGYGMSSA-N 314.351 3.257 0 40 DGAB O[C@@H](Cn1nnc2cc(Cl)c(Cl)cc21)CC(F)(F)F 189422841 CBTNGYPTXXXNAU-RXMQYKEDSA-N 314.094 3.051 0 40 DGAB COc1cc(/C=C\[N+](=O)[O-])ccc1OC(=O)c1cccc(C)c1 197643043 RUZSZZZCGJRMNP-HJWRWDBZSA-N 313.309 3.470 0 40 DGAB CC[C@]1(C)Oc2ccc(NC(=O)N(C)CC(F)F)cc2O1 225510336 YMIGULBVMZCSKA-CQSZACIVSA-N 300.305 3.313 0 40 DGAB FC(F)COCCN1Cc2ccc(Br)cc2C1 225548737 RRWZSVFJBCMNIY-UHFFFAOYSA-N 306.150 3.046 0 40 DGAB C[C@H]1CC[C@H](CN2CCC(OCc3ccccc3F)CC2)O1 225598146 HUUUNAYJZGXZED-WMLDXEAASA-N 307.409 3.374 0 40 DGAB COc1cc([C@@H]2C[C@H](O)c3ccccc3N2)cc(OC)c1OC 225817207 GXHKCMCWXWGCDJ-GJZGRUSLSA-N 315.369 3.303 0 40 DGAB Cc1cc(C=O)c(C)n1NC(=O)c1cccc(Br)c1 408569139 ZBHRKXQZCQGFFO-UHFFFAOYSA-N 321.174 3.064 0 40 DGAB CCCN(Cc1ccccc1)C(=O)NC(=S)c1cccnc1 408731294 JNACWQVAJHTIAU-UHFFFAOYSA-N 313.426 3.379 0 40 DGAB COc1cc(C=O)cc(Cl)c1OCc1ccc2c(c1)OCO2 408844305 BZHBDJXWJGWEML-UHFFFAOYSA-N 320.728 3.469 0 40 DGAB C[n+]1cccc([C@@](C)(O)c2cccc(OCc3ccccc3)c2)c1 526059867 ZJYZVAJITHXFAK-NRFANRHFSA-N 320.412 3.346 0 40 DGAB C[C@@H](Cc1nc(C(F)(F)c2ccc(F)cc2)no1)n1ccnc1 570455599 UGAKYHWCLZCCQD-JTQLQIEISA-N 322.290 3.349 0 40 DGAB CN(C(=O)[C@H]1C[C@@]12CCNC2)c1ccc(-c2ccccc2)cc1 578360465 KXXKKPXBLBOJPK-UYAOXDASSA-N 306.409 3.316 0 40 DGAB CN(Cc1ccccc1)[C@@H]1CCC[C@H](Oc2ccccc2)[C@H]1O 2037795294 UBDAKKGYIQEZHD-AABGKKOBSA-N 311.425 3.479 0 40 DGAB Cc1ccc(-n2ccn(CCC(C)C)c(=O)c2=O)cc1Cl 2086992665 RNDOSLXWAFISCV-UHFFFAOYSA-N 306.793 3.007 0 40 DGAB Cc1c(Cl)cccc1-n1ccn(CC2CCCC2)c(=O)c1=O 2298048642 IFTXSYIWCSUFHH-UHFFFAOYSA-N 318.804 3.151 0 40 DGAB CCC(=O)Nc1cnc(NC(=O)c2ccccc2F)cc1C 1352677 DJKKXCWKEVRJRZ-UHFFFAOYSA-N 301.321 3.130 0 40 DGAB O=C(O)/C=C/C(=O)Nc1ccc2c(c1)Cc1cc(Cl)ccc1-2 1600555 NTGXJXGENPKNAO-AATRIKPKSA-N 313.740 3.491 0 40 DGAB Cc1ccccc1NC(=O)COC(=O)c1ccc(Cl)cc1 1961858 BWUZHIJXSDBYTI-UHFFFAOYSA-N 303.745 3.444 0 40 DGAB CC(C)N1C(=O)[C@](O)(c2c[nH]c3ccccc23)c2ccccc21 2135258 GYQXTTPCZDSQIZ-LJQANCHMSA-N 306.365 3.159 0 40 DGAB biogenic CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2cc(C)oc2C)c1C 3449213 MXPVAPAIIBJSPV-UHFFFAOYSA-N 317.341 3.084 0 40 DGAB CC(C)C[C@@H]1NC(=O)N(Cc2ccccc2C(F)(F)F)C1=O 3487796 GNIPAHIZRKVVHM-LBPRGKRZSA-N 314.307 3.172 0 40 DGAB Cc1ccc(C)c(NC(=O)COc2ncnc3sccc23)c1 3497044 CUQXSDLCTUUMHM-UHFFFAOYSA-N 313.382 3.326 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)COC(=O)CSc1ccccc1 3499567 PRRSJGPPHSXMNG-DZGCQCFKSA-N 321.442 3.017 0 40 DGAB O=C(Nc1nc2cc3c(cc2s1)OCO3)c1cccc(F)c1 4348318 CVYSBCQQLDIOHT-UHFFFAOYSA-N 316.313 3.416 0 40 DGAB O=c1nc(SCc2cccc(Cl)c2)nc2ccccn12 4499802 GVIUIPMHUIUXOF-UHFFFAOYSA-N 303.774 3.035 0 40 DGAB Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3)cc2)cc1 4704289 QEDRAZUSLKLASK-UHFFFAOYSA-N 316.426 3.396 0 40 DGAB Cc1ccc(CC(=O)N2CCN(c3ccccc3)CC2)c(C)c1 5264452 BYHXUOGGJRMZLT-UHFFFAOYSA-N 308.425 3.195 0 40 DGAB CCCCC(=O)Nc1nc2n(n1)[C@H](c1ccccc1)C[C@H](C)N2 5266234 WLLNNCBSDOITQQ-JSGCOSHPSA-N 313.405 3.200 0 40 DGAB Oc1ccc(Nc2ncnc3c2cnn3Cc2ccccc2)cc1 5345438 PKIYQPNJJUKGRG-UHFFFAOYSA-N 317.352 3.324 0 40 DGAB O=C(CCc1c[nH]c2ccccc12)N[C@H](C(=O)O)c1ccccc1 5428532 AOGOMDQWMPGWLX-SFHVURJKSA-N 322.364 3.043 0 40 DGAB O=C(Cc1coc2ccc3ccccc3c12)NC[C@H]1CCCO1 6402148 NOPOTUDYAVAYIC-OAHLLOKOSA-N 309.365 3.424 0 40 DGAB CN(C)C(=S)SCC(=O)c1cc(Cl)cc(Cl)c1O 6490376 CBQSUDYSJURXLV-UHFFFAOYSA-N 324.254 3.461 0 40 DGAB CSc1ncccc1C(=O)Nc1ccnn1Cc1ccccc1 6589605 RFWKKZLFZPQKGY-UHFFFAOYSA-N 324.409 3.301 0 40 DGAB O=C(c1ccc2nccnc2c1)N(Cc1ccccc1)C1CC1 6676604 PJSVQZVUOIXZKK-UHFFFAOYSA-N 303.365 3.435 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cc(F)cc(F)c2)c(C)c1 7032425 GLUDBTBZKUKITH-UHFFFAOYSA-N 319.307 3.377 0 40 DGAB Cc1ccc(NC(=O)COc2cccc(N3CCCC3=O)c2)cc1 7063729 KMLBAUSHBXUPMD-UHFFFAOYSA-N 324.380 3.139 0 40 DGAB Cc1cccc(C)c1N1C(=O)C[C@H](Nc2cccc(F)c2)C1=O 7213228 KFODDFGZFFHAQR-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CC(C)Sc1nnc(NC(=O)NC2CCCCC2)s1 7573035 SADFTWONZOHIOC-UHFFFAOYSA-N 300.453 3.493 0 40 DGAB Cc1ccc(OCCNC(=O)c2cccc(OC(F)F)c2)cc1 7842518 NXDFEEHQDUYNCU-UHFFFAOYSA-N 321.323 3.405 0 40 DGAB Cc1ccc(OC[C@@H](O)CNC2C3CC4CC(C3)CC2C4)cc1 8326814 PSGHBNOSEPQIOV-RJFAQORQSA-N 315.457 3.149 0 40 DGAB CCOC(=O)C1=C(C)Nc2ncnn2[C@@H]1/C(C)=C/c1ccccc1 8843551 AORYYZDNYFJXBV-YBHKSSGVSA-N 324.384 3.185 0 40 DGAB Cc1cc(C(=O)Nc2nc(-c3ccc(F)cc3)cs2)nn1C 9001740 RBDYMZBCMBWTRX-UHFFFAOYSA-N 316.361 3.243 0 40 DGAB COc1ccc(CC(=O)Nc2nc(-c3ccc[nH]3)cs2)cc1 9549372 CGHIGARSZYFZAB-UHFFFAOYSA-N 313.382 3.328 0 40 DGAB Cc1cccc(C(=O)Nc2cccc(-c3nnnn3C3CC3)c2)c1 9709903 VKWCZQPYHRKEEO-UHFFFAOYSA-N 319.368 3.236 0 40 DGAB COc1ccccc1-n1nc(CSc2ccccn2)cc1O 9939764 HYXIOJUARZVHED-UHFFFAOYSA-N 313.382 3.274 0 40 DGAB Cc1cc(C(=O)Nc2ccc(N3CCCC3=O)c(Cl)c2)no1 11141904 ZTPROVFEPRVNBB-UHFFFAOYSA-N 319.748 3.016 0 40 DGAB O=C(Nc1nnc(-c2ccno2)o1)c1cccc2ccccc12 12234495 JHTJMSAHYVXLAM-UHFFFAOYSA-N 306.281 3.130 0 40 DGAB Cc1cccc(OCC(=O)Nc2cnc3c(cnn3C(C)C)c2)c1 12762118 QFBZELKKBRONQR-UHFFFAOYSA-N 324.384 3.338 0 40 DGAB COc1ccc(-c2nc(N)ncc2-c2ccccc2OC)c(O)c1 13125493 YQAHKSMATYIAMB-UHFFFAOYSA-N 323.352 3.116 0 40 DGAB biogenic C/C=C/C[C@H](C)[C@H](OC)[C@H](C)[C@H](O)C[C@@H]1OC(=O)C=C[C@@H]1CC 14658468 XIHGDBYGUWEHCV-MOMUVXTASA-N 324.461 3.499 0 40 DGAB COc1ccccc1[C@@H](C)NC(=O)C1C[C@@H]2CCC[C@H](C1)C2=O 15317198 VLFMGDCSPKURTN-JKXDFHQYSA-N 315.413 3.268 0 40 DGAB CC(C)[C@H](NCc1cc(=O)n2ccccc2n1)c1ccccc1 15549948 SOILOFKVPKDXSH-IBGZPJMESA-N 307.397 3.181 0 40 DGAB O=C(Cc1c(F)cccc1Cl)NCc1nc2ccccc2[nH]1 16694926 QJPRJRFVWVFNOU-UHFFFAOYSA-N 317.751 3.214 0 40 DGAB CC(=O)c1ccc(NC(=O)c2nnn(-c3ccccc3)c2C)cc1 19910876 CXVJUFNOYHTHJQ-UHFFFAOYSA-N 320.352 3.031 0 40 DGAB CCN(CC)C(=O)[C@H](C)Oc1cccc(Br)c1 20421598 IIRBCNRBYKYVSU-JTQLQIEISA-N 300.196 3.085 0 40 DGAB COc1ccccc1C(=O)Nc1cc2c(cc1Cl)OCCO2 21975469 SMWYJMRALBCOAQ-UHFFFAOYSA-N 319.744 3.372 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2cc(C)ccc2C)cc1 22457680 FSIDFUQWZXUNHL-UHFFFAOYSA-N 303.427 3.433 0 40 DGAB Cc1ccccc1-c1nnn(Cc2csc(-c3ccco3)n2)n1 22514986 IKOYXQRHCJSZQB-UHFFFAOYSA-N 323.381 3.413 0 40 DGAB COC(=O)[C@H](CC(C)C)NC(=O)c1cc(SC)ccc1C 24728947 IWZMIANEOWJHHJ-AWEZNQCLSA-N 309.431 3.034 0 40 DGAB Cc1cccc(C(=O)Nc2ccccc2-n2nc(C)cc2C)n1 25014474 BRHVSXWXCLZZCB-UHFFFAOYSA-N 306.369 3.445 0 40 DGAB C[C@H](C(=O)Nc1ccccc1Br)N1CCCCC1 25404069 WCOOHOLZSGTRFP-LLVKDONJSA-N 311.223 3.262 0 40 DGAB COc1ccc(OC)c([C@@H](C)NC(=O)c2c(F)cccc2F)c1 26391720 KRWOHNFVBQCGDX-SNVBAGLBSA-N 321.323 3.473 0 40 DGAB CCCC[C@@H](CC)CNC(=O)c1cccc(S(C)(=O)=O)c1 29431071 VMVDVKHYBXZZSR-CYBMUJFWSA-N 311.447 3.036 0 40 DGAB COc1cccc(N2CCN(C(=O)c3cc(C)cc(C)c3)CC2)c1 31358791 CXQKYIPYTWXPAU-UHFFFAOYSA-N 324.424 3.274 0 40 DGAB COc1ccc(CCNc2ncnc3cc(OC)ccc23)cc1 32544419 HLRFJZRVTORBMW-UHFFFAOYSA-N 309.369 3.302 0 40 DGAB Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)N1CCCC[C@H]1C 32648170 CREWJHMCTYRKOU-MWLCHTKSSA-N 303.328 3.172 0 40 DGAB C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCCc2cc(F)cc(F)c21 36754070 VSQWVPWXNWSTBP-WBMJQRKESA-N 322.399 3.412 0 40 DGAB Cc1ccc(NC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1C 40095472 CJHLGLOULXLYMA-INIZCTEOSA-N 320.339 3.437 0 40 DGAB COc1cccc(S(=O)(=O)CCO[C@@H]2CCCC[C@H]2C)c1 40153117 VMTNFAVJUSKIAK-CZUORRHYSA-N 312.431 3.064 0 40 DGAB O=C(NCC1CCN(c2ccccn2)CC1)Oc1ccccc1 43975398 DOKLJARYJAODDK-UHFFFAOYSA-N 311.385 3.087 0 40 DGAB C[C@H](NC(=O)CCOc1ccccc1Cl)c1ccccn1 46144804 NILXMXNPFLNXQX-LBPRGKRZSA-N 304.777 3.381 0 40 DGAB CCOc1ccc2c(c1)C=C(C(=O)N[C@@H](C)c1cccnc1)CO2 47751530 NOENLBAWACKULE-ZDUSSCGKSA-N 324.380 3.134 0 40 DGAB CC(C)N(Cc1cccc(Cl)c1)Cc1nnnn1C1CC1 47959209 BUXRPCCJTBNCOS-UHFFFAOYSA-N 305.813 3.072 0 40 DGAB O=c1onc(-c2ccccn2)n1Cc1cccc2ccccc12 58357859 UEAHIQTZMVHTPN-UHFFFAOYSA-N 303.321 3.100 0 40 DGAB O=C(O)[C@@H]1C[C@H]2CCCC[C@H]2N1C(=O)OCc1ccccc1 59575179 SADGAXUGVQIJBT-KFWWJZLASA-N 303.358 3.041 0 40 DGAB NC(=O)Nc1ccc(NC(=O)C2C3CC4CC(C3)CC2C4)cc1 66782056 QKRYSLVNNMVDII-UHFFFAOYSA-N 313.401 3.188 0 40 DGAB CN(C)C[C@@H]1CCCCN1C(=O)CCc1c[nH]c2ccccc12 66948524 RCTMJWVWOPQNAD-INIZCTEOSA-N 313.445 3.043 0 40 DGAB CCSc1ccc(Cl)cc1NC(=O)c1ccn(C)c(=O)c1 69769312 NRVYTXLPSKLPAU-UHFFFAOYSA-N 322.817 3.403 0 40 DGAB CCCCCC[C@@](C)(NCc1nnc(C2CC2)o1)C(=O)OCC 71912113 HMXWXEHGQABMBU-QGZVFWFLSA-N 323.437 3.329 0 40 DGAB Cc1csc([C@H]2CCCCN2C(=O)[C@@H](C)OCC2CC2)n1 72273880 KZQXXEQCTRMUIM-TZMCWYRMSA-N 308.447 3.320 0 40 DGAB CSC[C@H]1CCN(C(=O)c2cc(C)ccc2-n2ccnc2)C1 76083922 QYZLJJRBRXVHBG-AWEZNQCLSA-N 315.442 3.006 0 40 DGAB Cc1cc(C)c(NS(=O)(=O)c2ccc3c(c2)CCN3)c(C)c1 78403720 LENZJRXRQWBLSV-UHFFFAOYSA-N 316.426 3.381 0 40 DGAB CC(C)c1nc(C2(NCc3nnc(C(C)C)o3)CCCC2)no1 84631059 CIQQIYBSJHPMHF-UHFFFAOYSA-N 319.409 3.259 0 40 DGAB Cc1cc(NCc2ncc(C(C)(C)C)o2)c(C(N)=O)cc1F 85278054 ZDCQSCSIAUZXGV-UHFFFAOYSA-N 305.353 3.131 0 40 DGAB CC(=O)NCCCSCc1cc(=O)oc2c(C)c(C)ccc12 89665846 MNCPKUBNLOJXER-UHFFFAOYSA-N 319.426 3.169 0 40 DGAB Cc1cnc([C@H](NCc2cccc3c2OCO3)C2CC2)s1 89702398 OQMKTHAMWYXMAD-CQSZACIVSA-N 302.399 3.421 0 40 DGAB OC1(CNCc2ccc(Cl)c3cccnc23)CCSCC1 89807723 UOTXHXLZJICZPI-UHFFFAOYSA-N 322.861 3.236 0 40 DGAB CCOc1cc(CN[C@H](C)c2ccc([S@@](C)=O)cc2)ccn1 95420329 QVGXJNYLPAUNTH-DMZKTXOQSA-N 318.442 3.069 0 40 DGAB C[C@H](CO)N(C)C(=O)Nc1cccc(C2SCCS2)c1 95454880 CDWRMERBDOXGBW-SNVBAGLBSA-N 312.460 3.010 0 40 DGAB Cc1ccc2c(CC(=O)NC[C@@H]3CCO[C@H](C)C3)coc2c1 95457832 PXZUSPUYRPUXEL-ZIAGYGMSSA-N 301.386 3.215 0 40 DGAB CC1(C)C[C@H]1C(=O)OC[C@H]1CCCN(C(=O)c2ccccc2)C1 95973261 PUTQYNCLSDVATP-HOCLYGCPSA-N 315.413 3.128 0 40 DGAB CC(C)c1nc([C@@H]2CCCCCN2C(=O)c2ccncc2)no1 96001257 JNLLTJLNRSJDPG-AWEZNQCLSA-N 314.389 3.346 0 40 DGAB CSc1ccc([C@@H](O)CNC(=O)/C=C/c2ccccc2)cc1 96103037 SFEVDBFONASFSI-CRVDFBCUSA-N 313.422 3.272 0 40 DGAB O=C(/C=C/c1ccccc1)NCCn1ccc(-c2cccs2)n1 96103809 PLNFWDCNYQXCEL-CMDGGOBGSA-N 323.421 3.441 0 40 DGAB Cc1ccc(CN2CC[C@H]3[C@H]2CCN3CC2CCOCC2)s1 96184431 ZZQVKAIIYDUJJZ-ZWKOTPCHSA-N 320.502 3.132 0 40 DGAB Cc1ccc(C[S@](=O)Cc2cc(F)cc3c2OCOC3)cc1 96404551 YOJRCWNPLUNBGW-JOCHJYFZSA-N 320.385 3.450 0 40 DGAB COc1cccc([C@H](NC(C)=O)c2cc(F)ccc2OC)c1 96445087 NCGHGQROAUMJJW-KRWDZBQOSA-N 303.333 3.068 0 40 DGAB Cc1csc([C@H](OC(=O)c2cscn2)C(F)(F)F)n1 96456254 NCFIHWBIVGBIFI-ZETCQYMHSA-N 308.306 3.368 0 40 DGAB COC(=O)c1ccc2oc(-c3ccc(OC)c(OC)c3)nc2c1 107707655 RJAWXFUEENXSPF-UHFFFAOYSA-N 313.309 3.299 0 40 DGAB Cc1ccc2c(n1)OCCN2C(=O)c1cc(F)cc2cccnc12 189134471 WCYNZALNVFXNGZ-UHFFFAOYSA-N 323.327 3.117 0 40 DGAB C[C@H]1CN2C(=N[C@H](c3ccccn3)[C@@H]2c2cccc(O)c2)S1 222579461 VITZMJKQILECTF-XZJROXQQSA-N 311.410 3.377 0 40 DGAB COCCOc1ccc(NC(=O)C2(OC)CCC(C)CC2)cc1 225641048 UEGYZFSNMJHOSD-UHFFFAOYSA-N 321.417 3.246 0 40 DGAB CC[C@@H](C)Oc1ccc(NC(=O)C(F)(F)F)cc1C(=O)OC 225782097 ZLJJGVGNZNFRAD-MRVPVSSYSA-N 319.279 3.151 0 40 DGAB O=C(CCOc1ccccc1)N1CCC[C@H](Cc2ccccn2)C1 257230022 GAKSCLPZIWBUPQ-QGZVFWFLSA-N 324.424 3.332 0 40 DGAB c1ccc2c(CN3CCC(c4cnccn4)CC3)ccnc2c1 257255468 KHPFTRMUNIHQHL-UHFFFAOYSA-N 304.397 3.404 0 40 DGAB COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2)cc1 257304155 SKGYLQZVODAXSD-INIZCTEOSA-N 312.417 3.033 0 40 DGAB CC[C@H](C)n1ncc(I)c1COC(C)C 408715260 AHHGYIZBWNFIOQ-VIFPVBQESA-N 322.190 3.384 0 40 DGAB CSc1nc(C(F)F)cc(N2C[C@@H](C)O[C@H](C3CC3)C2)n1 521395291 WQHYQBOWGWXXNW-KCJUWKMLSA-N 315.389 3.140 0 40 DGAB CC(C)C[C@@H](C(=O)NCCc1nc2ccccc2[nH]1)n1cccc1 575444019 QGUIGZHGPHFPHA-KRWDZBQOSA-N 324.428 3.311 0 40 DGAB Cc1cc(C(=O)NCc2nccnc2-c2ccsc2)c(C)o1 575618293 GNZLSKILNUTATN-UHFFFAOYSA-N 313.382 3.345 0 40 DGAB O=C(/C=C/c1ccoc1)NCC[C@H](CCO)c1cccs1 575619944 HDNKBMUENLVIKC-RDFMZFSFSA-N 305.399 3.027 0 40 DGAB CCS[C@H]1CCCCN(C(=O)c2c(C3CCC3)cnn2C)C1 585102480 CMTDARBUQCKIIM-AWEZNQCLSA-N 321.490 3.435 0 40 DGAB CC1(C)C[C@H]1C(=O)N1CCC(c2ccc3cccnc3n2)CC1 848300485 MAMUWQVFPPBBQL-HNNXBMFYSA-N 309.413 3.382 0 40 DGAB CO[C@@H]1CN(Cc2cscn2)CC[C@@H]1Cc1ccccc1F 1615086087 IJOHJMVRAZNTTP-RHSMWYFYSA-N 320.433 3.362 0 40 DGAB COCCn1cnc2c(Nc3ccc(C)c(Cl)c3)ncnc21 1888913850 XEICAGWLVRBZCX-UHFFFAOYSA-N 317.780 3.178 0 40 DGAB O=C(NCCOc1ccccc1)NCC1(c2ccsc2)CC1 1888935228 ACMUEIZKGFBGQW-UHFFFAOYSA-N 316.426 3.158 0 40 DGAB Cc1cccc(F)c1C(=O)N1CCC([C@@H]2CCCCN2C)CC1 2055759395 UNTPBTOWLIRMTA-KRWDZBQOSA-N 318.436 3.471 0 40 DGAB O=C1CCNc2c(Br)cc(Br)cc21 85506 LYIXXDLPTHHPCI-UHFFFAOYSA-N 304.969 3.210 0 40 DGAB COc1cccc(C(=O)COc2ccc3c(C)cc(=O)oc3c2)c1 488963 OWPAPZAUGQKLAY-UHFFFAOYSA-N 324.332 3.372 0 40 DGAB biogenic O=Cc1cn(CC(=O)c2cccc([N+](=O)[O-])c2)c2ccccc12 582831 IKPJABVBRHNKSC-UHFFFAOYSA-N 308.293 3.245 0 40 DGAB C[C@H]1CCCC[C@H]1NC(=O)N1CCN(c2ccccc2)CC1 12562716 TVJURPRIYLJCOM-DOTOQJQBSA-N 301.434 3.097 0 40 DGAB CCC(=O)N1CC[C@H](NCc2cc3cc(F)ccc3o2)[C@@H](C)C1 78897531 BMMHAQMJIKXXJH-LRDDRELGSA-N 318.392 3.309 0 40 DGAB Cc1ncsc1C(=O)Nc1cnn(-c2ccccc2F)c1 88232437 FDTVJOYMLPFNTE-UHFFFAOYSA-N 302.334 3.029 0 40 DGAB CCCCc1noc(CSc2nc(C3CCCC3)n[nH]2)n1 25044350 XHEWLFQZXOOGOQ-UHFFFAOYSA-N 307.423 3.480 0 40 DGAB Cc1ccccc1CN1CCC(NC(=O)N[C@@H](C)C2CC2)CC1 43841462 MLWBXLBQSDBMMC-HNNXBMFYSA-N 315.461 3.057 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)CCc1nc(C3CC3)no1)C2 107500574 RPXHVHQLZHIIBM-LXIYXOSZSA-N 317.433 3.211 0 40 DGAB C[C@@]12C=C[C@](C)(O1)[C@H]1C(=O)N(c3cccc4ccccc34)C(=O)[C@@H]12 100172016 KPLHLZRTFOXTCQ-YKCBXCCJSA-N 319.360 3.063 0 40 DGAB COc1ccc(OC)c(NC(=O)Nc2ccccc2OC)c1 8114832 NAROXLAORIKDDA-UHFFFAOYSA-N 302.330 3.356 0 40 DGAB CCOCCCNCc1cc(Cl)c(OC)c(OCC)c1 8253136 AXALSJFYICLRSZ-UHFFFAOYSA-N 301.814 3.264 0 40 DGAB CC[C@@H](CO)NCc1ccccc1OCc1ccccc1F 8326403 FLBPBBLGPXHSPS-INIZCTEOSA-N 303.377 3.265 0 40 DGAB CCOCCCNC(=O)c1sc2nc(C)cc(C)c2c1C 10058105 DFPIOVXFQGQIDC-UHFFFAOYSA-N 306.431 3.378 0 40 DGAB C[C@@H](NC(=O)N[C@@H](c1ccccc1)c1nccn1C)c1ccco1 44895307 RIFAUSXZDCYKRW-CJNGLKHVSA-N 324.384 3.163 0 40 DGAB CCCCC[C@@H](C)NC(=O)Nc1ccccc1CC(=O)NC 58265854 WWTGACARQDIDPE-CYBMUJFWSA-N 305.422 3.065 0 40 DGAB Cc1ccc(CC(=O)Nc2nc3cc(F)c(F)cc3s2)cn1 58229830 ZMUVWMAVHNQJQQ-UHFFFAOYSA-N 319.336 3.459 0 40 DGAB CC(C)=C[C@H]1[C@@H](C(=O)NCc2cccnc2-n2ccnc2)C1(C)C 44912257 MPRIDYHJPFMAAN-HOTGVXAUSA-N 324.428 3.122 0 40 DGAB Cc1ccc2[nH]c(C)c(CC(=O)Nc3ccc(N(C)C)cn3)c2c1 58406625 AMYVZQXVKJGQCC-UHFFFAOYSA-N 322.412 3.427 0 40 DGAB C[C@H](Oc1ccccc1Cl)C(=O)N[C@H](C)c1ccncc1 45116708 UWJMBIMRCRARMJ-NEPJUHHUSA-N 304.777 3.380 0 40 DGAB O=C(NCc1cccnc1OC1CCCC1)c1cccc(F)c1 36393454 WKVUISLTDIASLL-UHFFFAOYSA-N 314.360 3.472 0 40 DGAB COc1ccc(-c2c(NC(C)=O)n(C)c3ccccc3c2=O)cc1 2433166 VMBODOWMEZOZQY-UHFFFAOYSA-N 322.364 3.173 0 40 DGAB COc1ccc2c(c1)CC[C@@H]([C@@H]1OC(=O)c3ccccc31)C2=O 11691430 FEFXLFJQCQUHKV-SJLPKXTDSA-N 308.333 3.352 0 40 DGAB Cc1ccccc1NC(=O)[C@H](C)N1CCN(c2ccccc2)CC1 57267271 VSQNYVAXJGPFQX-KRWDZBQOSA-N 323.440 3.144 0 40 DGAB CC(C)(C)OC(=O)N[C@H](Cc1ccccc1)[C@H](O)C(F)(F)F 62152192 GMFMLQKDFXFOAF-NEPJUHHUSA-N 319.323 3.046 0 40 DGAB COCCCCNC(=O)CCc1cccc(Cl)c1Cl 47199631 TWSQESNXJYQTCV-UHFFFAOYSA-N 304.217 3.469 0 40 DGAB CCCN(CCc1ccccn1)C(=O)Cc1ccc(F)cc1 61436386 GCLAOOJZJFNHFE-UHFFFAOYSA-N 300.377 3.245 0 40 DGAB CC(C)CC(=O)Nc1ccc(Nc2ncnc3c2cnn3C)cc1 12792551 BVRQMIWXXYSYTI-UHFFFAOYSA-N 324.388 3.092 0 40 DGAB CC(C)[C@H](O)C1(CNCc2ccc3c(c2)CC(C)(C)O3)CC1 95989213 SDLIGAWRQJWJJB-KRWDZBQOSA-N 303.446 3.287 0 40 DGAB Cc1cc(C)n2cc(COc3cccc(C(F)(F)F)n3)nc2n1 95990911 FXVOEUPYTJYGHR-UHFFFAOYSA-N 322.290 3.339 0 40 DGAB COc1ccc([C@H]2C[C@H](C)CN2Cc2cnc3cnccn23)cc1 95982907 FTPFVWFGMFIVKC-KBXCAEBGSA-N 322.412 3.321 0 40 DGAB Cc1ccc2nc(NC(=N)NC(=O)c3ccccc3)nc(C)c2c1 3771769 WBZHNZLBXJPOOA-UHFFFAOYSA-N 319.368 3.023 0 40 DGAB O=C(Nc1nnc(C2CC2)s1)[C@H]1C[C@H]1c1ccccc1F 84502233 AFVDQQJYFGYGKY-QWRGUYRKSA-N 303.362 3.297 0 40 DGAB COc1ccc(OCC(=O)Nc2cc(-c3ccccc3)no2)cc1 9306076 XLGGLKAGJRSEKI-UHFFFAOYSA-N 324.336 3.368 0 40 DGAB CC[C@H](C)c1ccc(S(=O)(=O)NCc2ccncc2)cc1 13947794 JMYYLAXKLJEZFC-ZDUSSCGKSA-N 304.415 3.074 0 40 DGAB C[C@@H](Sc1nccn1C)C(=O)N[C@H]1CCCc2ccccc21 5359416 HBCXOMCCIIVBTL-DOMZBBRYSA-N 315.442 3.095 0 40 DGAB Cc1ccc(CNCc2c(C)nn(C)c2C)c(OCC2CC2)c1 88745614 ZJCQCHDYALOCOW-UHFFFAOYSA-N 313.445 3.424 0 40 DGAB C[C@@]1(C(=O)Nc2ccc(Cl)cc2)Cc2ccccc2C(=O)O1 4510860 SDZATQGETSTEFC-KRWDZBQOSA-N 315.756 3.450 0 40 DGAB O=C(Nc1ccc(F)cc1F)c1cc(=O)c2ccccc2o1 9455975 GVEKFYKQJWVBOO-UHFFFAOYSA-N 301.248 3.324 0 40 DGAB O=C(NC[C@H]1C[C@H]1c1ccccc1)Nc1ccn(CC(F)F)n1 96452288 SFBXRYUJFHQHMZ-OLZOCXBDSA-N 320.343 3.073 0 40 DGAB Cc1ccc(OCCN(C)[C@@H](C)C(=O)NC2CCCCC2)cc1 15565649 BMZWKWHMLKIHQV-INIZCTEOSA-N 318.461 3.143 0 40 DGAB Cc1ccc(-c2nonc2NC(=O)COc2ccccc2)cc1C 15670740 DWDWCKCTXBBTEX-UHFFFAOYSA-N 323.352 3.371 0 40 DGAB Cc1ccc(S(=O)(=O)NCc2cccc(Cl)c2)cc1C 7375283 OBZQKULQPRMPRG-UHFFFAOYSA-N 309.818 3.435 0 40 DGAB O=C(CN1CC=C(c2ccccc2)CC1)NCCc1ccccc1 7651261 PVNUCSOYMVBAAE-UHFFFAOYSA-N 320.436 3.135 0 40 DGAB CC(=O)Nc1cccc(COC(=O)CO[C@@H]2CCC[C@H](C)C2)c1 71903237 RCICUXDWBCMFMG-SUMWQHHRSA-N 319.401 3.284 0 40 DGAB C[C@@H]1CCN(C(=O)c2ccc(N3CCCC3=O)cc2)[C@H](C)C1 71920657 UINNFBJPLWZSMY-ZIAGYGMSSA-N 300.402 3.074 0 40 DGAB CC[C@@H](Nc1ccc(OCc2ccco2)c(Cl)c1)C(N)=O 71902658 ONKMHUCBDXFFGL-CYBMUJFWSA-N 308.765 3.188 0 40 DGAB Cc1csc([C@H](C)NC(=O)N[C@H](C)c2nc(C)cs2)n1 69218680 FRQPSKCXABOZDM-AOOOYVTPSA-N 310.448 3.338 0 40 DGAB CCNC(=O)c1cc(NC(=O)c2occc2C)nc2ccccc12 95441883 NRAPAYMBIWRGLI-UHFFFAOYSA-N 323.352 3.138 0 40 DGAB C[C@@H](c1ccc(-n2cncn2)cc1)N(C)C(=O)C[C@@H]1C=CCC1 8349821 WVHYDBDAEFZWRI-LSDHHAIUSA-N 310.401 3.143 0 40 DGAB CC1CCC(N2CCC(NC(=O)NC3CC=CC3)CC2)CC1 95414000 ZNWBDVGXCOMJPN-UHFFFAOYSA-N 305.466 3.047 0 40 DGAB CC(C)C[C@H](C)OCCC(=O)Nc1cccc([S@](C)=O)c1 87303553 OOAGRFDZHKEXAE-YEJXKQKISA-N 311.447 3.204 0 40 DGAB Cc1cc(F)cc(C(=O)N2CCC[C@@H](C(C)(C)C(=O)O)C2)c1 97045163 KJUBZMYXTNWMFM-CYBMUJFWSA-N 307.365 3.097 0 40 DGAB Cc1nc2ccccc2c(N2CCC(n3cncn3)CC2)c1C 97085940 WBEKGCKALUCQRQ-UHFFFAOYSA-N 307.401 3.285 0 40 DGAB CSc1ccc(OCc2cc(=O)n3ccc(C)cc3n2)cc1 9113463 HLZLIPFXNIOUHE-UHFFFAOYSA-N 312.394 3.304 0 40 DGAB Cc1ccc(CCC(=O)N2C[C@H](O)C[C@@H]2C2CCCCC2)o1 95445930 KTDOCLHCUDGTOX-NVXWUHKLSA-N 305.418 3.063 0 40 DGAB CNc1nc(CNC(=O)Nc2ccccc2OC(C)C)cs1 75094206 MOYCNWYBOIMMOL-UHFFFAOYSA-N 320.418 3.294 0 40 DGAB C[C@H](NC(=O)c1cc(C2CC2)on1)c1ccc(-n2cccn2)cc1 75347608 QMOKPQNYYFAIFL-LBPRGKRZSA-N 322.368 3.229 0 40 DGAB COc1ccc(OC)c(NS(=O)(=O)/C=C/c2ccccc2)c1 7056438 BZLGMRHDBYKREJ-ZHACJKMWSA-N 319.382 3.116 0 40 DGAB CC(C)(C)OC(=O)N1CCC(COCc2ccccn2)CC1 72202857 PFKUOKSJRVANNR-UHFFFAOYSA-N 306.406 3.245 0 40 DGAB CC(=O)N1CCc2ccccc2[C@H]1[C@@H]1NCCc2ccccc21 31750741 AVKSIFQMKNTASD-UXHICEINSA-N 306.409 3.019 0 40 DGAB CC(=O)Nc1c[nH]c2ccoc2c1=N[C@H]1CCCCC1(F)F 2362804395 UMKVMXVNXRDBIJ-LBPRGKRZSA-N 309.316 3.198 0 40 DGAB Cc1cc(S(=O)(=O)NC(C)(C)Cc2ccccc2)ccc1F 225611500 LVCMBFFUEVBJRA-UHFFFAOYSA-N 321.417 3.434 0 40 DGAB O=C(NC[C@](O)(c1ccco1)c1cccs1)c1ccsc1 225584803 LIXOXSVPLLIADC-HNNXBMFYSA-N 319.407 3.069 0 40 DGAB CC(C)C(=O)N1CCS/C1=C/c1nc2ccccc2n1C 225237891 WBVDTCKKNBHFFM-XNTDXEJSSA-N 301.415 3.103 0 40 DGAB CC(C)(C)OC(=O)N1CCC([C@@H](CN)c2ccccc2)CC1 82319025 SEAQTUJDNFHLCL-INIZCTEOSA-N 304.434 3.376 0 40 DGAB CCCCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(C)[nH]1 222987808 ZFYUIWQCIUODIH-CVEARBPZSA-N 314.458 3.491 0 40 DGAB O=C(NC1CCC(F)(F)CC1)c1cc(-c2ccccc2)[nH]n1 332672216 QSZYGZIQTWZOLG-UHFFFAOYSA-N 305.328 3.384 0 40 DGAB CN(CC1CCC1)C(=O)Nc1ccc(O[C@H]2CCOC2)cc1 96418102 NIWYOMSDQZFRKY-INIZCTEOSA-N 304.390 3.118 0 40 DGAB c1ccn(C[C@@H]2CC[C@H]3[C@@H]2OCCN3Cc2ccsc2)c1 96055348 SARPCIGFHPLUPT-YESZJQIVSA-N 302.443 3.229 0 40 DGAB CSCc1cccc(NC(=O)N[C@@H]2[C@H]3CCO[C@@H]3C2(C)C)c1 96421962 DNLWUFGFVIYDLE-KFWWJZLASA-N 320.458 3.485 0 40 DGAB Cc1cc(N(C)C)cc(C)c1NC(=O)NC1(C)CCOCC1 96495557 ZEVWIDJLBHILEX-UHFFFAOYSA-N 305.422 3.060 0 40 DGAB C[C@@H](O)CCN(C)C(=O)N[C@H](c1cc2ccccc2o1)C1CC1 97228815 RBJVWKQEBXRPEO-PXAZEXFGSA-N 316.401 3.296 0 40 DGAB COc1cccc(CSc2ccccc2S(C)(=O)=O)c1 96410928 GBLSPEJRWISSTP-UHFFFAOYSA-N 308.424 3.391 0 40 DGAB Oc1nncc(N2CCC[C@@H]2Cc2cccc(F)c2)c1Cl 96452663 KUUHANIOTPTAJR-GFCCVEGCSA-N 307.756 3.186 0 40 DGAB Cn1ncc2c1CN(c1ncc(C(F)(F)F)cc1Cl)C2 585132820 XZGJMFXYMLZSRL-UHFFFAOYSA-N 302.687 3.008 0 40 DGAB O=C(Cc1cccc(Br)c1)N[C@H]1C[C@H]2CC[C@H]1C2 260803004 WFXXKTITUNIKBL-OBJOEFQTSA-N 308.219 3.296 0 40 DGAB O=C(NCCn1cc(-c2ccoc2)cn1)Nc1cccs1 575614773 GWYZCNCEPSZBPC-UHFFFAOYSA-N 302.359 3.026 0 40 DGAB Cc1cc(C)n([C@H](CNC(=O)c2ccoc2)c2cccs2)n1 575610546 PNADIQQHROCUQZ-CQSZACIVSA-N 315.398 3.174 0 40 DGAB CC(=O)N1CC[C@@H](Cc2ccnc(-c3nc(C)c(C)s3)c2)C1 585179610 GQNDYIAQNZMFHA-HNNXBMFYSA-N 315.442 3.233 0 40 DGAB O=C(c1cc2ccccc2o1)N1[C@H]2CC[C@H]1CC(n1cncn1)C2 827887255 TZWKIHSHIDAFCJ-KBPBESRZSA-N 322.368 3.033 0 40 DGAB CCc1cc(N2CCC(COc3ncccc3C)CC2)ncn1 1775995580 AFEKYKDSJBNTRZ-UHFFFAOYSA-N 312.417 3.038 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)n1 54661659 MKFWCDOJQLOMCP-GFCCVEGCSA-N 305.765 3.051 0 40 DGAB CC1CCC(NC(=O)[C@@H](C)Sc2ccc(Cl)nn2)CC1 73662492 UHHYLHNSCXJISB-HSOILSAZSA-N 313.854 3.306 0 40 DGAB C[C@@H](CNc1ccccc1)NC(=O)Nc1cccnc1Cl 75110763 LUFMLGBXNAJLQT-NSHDSACASA-N 304.781 3.357 0 40 DGAB CC(C)CC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 5842690 WOTFTDRJFUGWII-UHFFFAOYSA-N 321.446 3.140 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)Cc2ccc(F)cc2)c1 5120418 RMTKNAWXYXTCOT-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB CC[C@H](CN1CCCC1)NC(=O)Cc1coc2cc(C)ccc12 12362818 UWIIJQYLHASQPQ-MRXNPFEDSA-N 314.429 3.274 0 40 DGAB CC(C)OCCCNC(=O)CCCOc1ccc(Cl)cc1 14399640 MIUWHMWRNCBAIF-UHFFFAOYSA-N 313.825 3.430 0 40 DGAB O=C1[C@H]2CCCC3CCC[C@@H](C(=O)N1NC1CCCCC1)C32 16911475 LTNYXXYPHUXJQP-PYCGDYPRSA-N 304.434 3.025 0 40 DGAB Cc1cc(N2CCC[C@H]2c2nc3ccccc3s2)nc(N)n1 19656915 JHHPATRJUVUARB-LBPRGKRZSA-N 311.414 3.318 0 40 DGAB Cc1ccc2nc(SC/C=C/c3ccccc3)nc(=O)n2c1 4499804 HDXCVWYSMAAVDM-VMPITWQZSA-N 309.394 3.203 0 40 DGAB CC[C@H](C)N1CCC(Cn2c(C)nc3ccccc3c2=O)CC1 1848877748 OTFJMAIQKZOMAI-AWEZNQCLSA-N 313.445 3.215 0 40 DGAB Cn1nc(-c2ccc(F)cc2)cc1C(=O)N1CCC[C@H](CF)C1 1888857101 MEIXQSLMOBOZKT-GFCCVEGCSA-N 319.355 3.048 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)N2CCC(CC)CC2)c1C 40156058 BJXZYPOESRRUPL-UHFFFAOYSA-N 306.406 3.070 0 40 DGAB C[C@H](Sc1ncnc2sc3c(c12)CC[C@@H](C)C3)C(=O)O 84875 FXFLKQRNKXZSGQ-SFYZADRCSA-N 308.428 3.381 0 40 DGAB Cc1ccc([C@@H](O)CNC(=O)Nc2ccc(F)c(F)c2F)cc1 40525732 LNCRONADRJUELT-ZDUSSCGKSA-N 324.302 3.267 0 40 DGAB COc1cccc(C(=O)N[C@@H](C)[C@H]2C[C@H]3CC[C@H]2C3)c1OC 102192161 KUTCBOAMESXHRU-PWNZVWSESA-N 303.402 3.258 0 40 DGAB Cc1cc(C)nc(SCC(=O)Nc2cccc(Cl)c2)n1 319899 KJAWXYVAQKOEQY-UHFFFAOYSA-N 307.806 3.478 0 40 DGAB CN(Cc1ccccc1)C(=O)c1ccc(C(F)(F)F)nc1O 32879073 MKYIWLMTDGDVIS-UHFFFAOYSA-N 310.275 3.078 0 40 DGAB Cc1cccc([C@H]2N[C@H](C(=O)O)Cc3c2[nH]c2ccccc32)c1 408714 FBVMEXKJRKVQRJ-DLBZAZTESA-N 306.365 3.165 0 40 DGAB biogenic CC(=O)Nc1cccc2c1CCN(c1ncnc3ccsc13)C2 54125414 NICDPFVCEOHUNU-UHFFFAOYSA-N 324.409 3.212 0 40 DGAB O=C(CCN1CCOC1=O)Nc1ccc2c(c1)oc1ccccc12 55250295 KAROGGGEMSXDKT-UHFFFAOYSA-N 324.336 3.367 0 40 DGAB O=C1[C@@H]2CCCC3CCC[C@@H](C(=O)N1NC1CCCCC1)C32 1735478 LTNYXXYPHUXJQP-OYPFRJMLSA-N 304.434 3.025 0 40 DGAB O=S(=O)(c1ccc(Cl)nc1)N1CCC[C@H]2CCCC[C@@H]21 35154663 YSGCNQFVYUXBOV-YPMHNXCESA-N 314.838 3.078 0 40 DGAB CNC(=O)c1ccc(NC(=O)Cc2coc3cc(C)ccc23)cc1 8423887 WUFBJQVTNZLDCE-UHFFFAOYSA-N 322.364 3.282 0 40 DGAB COc1cc2c(cc1OC)[C@H](c1cccs1)N(C(C)=O)CC2 35982356 MORJTSFQOUHAHA-QGZVFWFLSA-N 317.410 3.259 0 40 DGAB Cc1ccccc1N1C(=O)C[C@@H](Nc2ccccc2Cl)C1=O 101275258 DINUMHFRCTYLRJ-CQSZACIVSA-N 314.772 3.392 0 40 DGAB Cc1ccc(C)c(N[C@@H](C)C(=O)Nc2c(C)nn(C)c2C)c1 44871496 VLQJBKICKDKGNG-ZDUSSCGKSA-N 300.406 3.093 0 40 DGAB O=C(CSc1c(F)cc(F)cc1F)c1ccc(O)cc1O 54476008 QWGJRWQRSQXGST-UHFFFAOYSA-N 314.284 3.490 0 40 DGAB Cc1ccc(NCC(=O)Nc2cc(C)no2)c(Br)c1 24249632 GXWIEVURZXFUHW-UHFFFAOYSA-N 324.178 3.105 0 40 DGAB CSc1nc2sc(C)c(C)c2c(=O)n1Cc1ccccn1 58202646 AVZZENJIGMUHHP-UHFFFAOYSA-N 317.439 3.240 0 40 DGAB Cc1noc(CCCC(=O)N(C)Cc2ccc([C@H]3C[C@@H]3C)o2)n1 44939479 CHOSXWRTUCZPCL-FZMZJTMJSA-N 317.389 3.076 0 40 DGAB Cc1nc(-c2cccc(NC(=O)CNC(C)(C)C)c2)cs1 9607410 QDTLIMJOASBYRU-UHFFFAOYSA-N 303.431 3.445 0 40 DGAB CC(=O)Nc1cccc(NC(=O)CSc2ccc(C)cn2)c1 45025467 FBSILFCSYUWFIX-UHFFFAOYSA-N 315.398 3.079 0 40 DGAB C[C@@]1(C(=O)CSc2nc3ccccc3s2)CCC(=O)O1 2454378 BEJMNIXFDRYNAM-AWEZNQCLSA-N 307.396 3.053 0 40 DGAB O=C(O)c1cccc([C@H]2CCCN(C(=O)C3CCCC3)C2)c1 45796056 QSTLBCVPGMWOKV-INIZCTEOSA-N 301.386 3.281 0 40 DGAB CSc1ncc(Cl)c(C(=O)N[C@@H](C)c2ccc(C)o2)n1 29601524 ZOAMAHRUMBZAFE-QMMMGPOBSA-N 311.794 3.244 0 40 DGAB Cc1cc(C(=O)NC[C@H](c2ccsc2)N(C)C)sc1C 25329501 YFOUBEVRGWUGHH-CYBMUJFWSA-N 308.472 3.459 0 40 DGAB Cc1cc(C)c(C(=O)Cn2nnc(-c3ccccc3C)n2)cc1C 2620113 IDSKTNIXSMYPPF-UHFFFAOYSA-N 320.396 3.457 0 40 DGAB Clc1ccc(OC[C@@H]2CCCNC2)c(Br)c1 38580893 URPAQBWFFLNKOE-SECBINFHSA-N 304.615 3.481 0 40 DGAB COc1cc2c(cc1Cl)-n1cccc1C1(CCNCC1)N2 63110913 MBMJKRNPUOXFBG-UHFFFAOYSA-N 303.793 3.144 0 40 DGAB Cc1ccc(Cl)c(OCC(=O)NCCc2cccs2)c1 9447358 WQFTXRNRJQWPHH-UHFFFAOYSA-N 309.818 3.448 0 40 DGAB O=C(Nc1ccnc(-c2ccncc2)n1)c1ccccc1Cl 6222338 CMUYEURFAKWIFG-UHFFFAOYSA-N 310.744 3.444 0 40 DGAB Cc1nc2cc(NC(=O)c3ccc4c(c3)CCC(=O)N4)ccc2o1 14077053 AULYGCJHDPSIFI-UHFFFAOYSA-N 321.336 3.273 0 40 DGAB Cc1nc(-c2ccccn2)sc1C(=O)N1CCC(C)CC1 14111523 YROJISZXPSHJBU-UHFFFAOYSA-N 301.415 3.386 0 40 DGAB Cc1csc(SCC(=O)Nc2ccc(N(C)C)cc2)n1 6534311 MMHKZHQDCBIZLT-UHFFFAOYSA-N 307.444 3.248 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1OC)C(=O)Nc1cc(C)on1 9497192 ZAPDPPNTZIOCLD-GFCCVEGCSA-N 304.346 3.096 0 40 DGAB COc1cc(O)c2c(c1OC)O[C@H](c1ccccc1)CC2=O 14807136 VPGMCCIECGDASG-ZDUSSCGKSA-N 300.310 3.116 0 40 DGAB biogenic,in-vitro CC(=O)Nc1ccc(CCNC(=O)N2C[C@@H](C)CC[C@H]2C)cc1 74090204 HHMYHXDEQPRIIV-UONOGXRCSA-N 317.433 3.018 0 40 DGAB Cc1cccc(OC[C@@H](O)Cn2c(C)nc3ccccc32)c1C 15860716 YEGRACYHIAVRGB-INIZCTEOSA-N 310.397 3.401 0 40 DGAB C[C@H]1C[C@@H](C)n2nccc2N1C(=O)c1cnn(-c2ccccc2)c1 71884177 GIKQICAFGNQRIO-UONOGXRCSA-N 321.384 3.069 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccnn2Cc2ccccc2)c1 7525015 UJAGSZDNYGXZIH-UHFFFAOYSA-N 321.380 3.257 0 40 DGAB Cc1ccc(Cl)cc1NC(=O)Nc1cnn(CCN(C)C)c1 71846727 DYWJIJYKWGLCBU-UHFFFAOYSA-N 321.812 3.051 0 40 DGAB O=C([C@@H]1C[C@@H]1c1ccc(Cl)cc1)N1CCCN2CCC[C@@H]2C1 71884634 MTIRSTQVBUSHIV-BRWVUGGUSA-N 318.848 3.140 0 40 DGAB CC(C)S(=O)(=O)c1ccccc1C(=O)N1C[C@H](C)CC[C@@H]1C 95962676 AQVJMPVRACYPMO-KGLIPLIRSA-N 323.458 3.129 0 40 DGAB C[C@@H](Oc1ccc(F)cc1Cl)C(=O)N(C)Cc1ccncc1 71903735 FBRDIEYQAMCZEN-LLVKDONJSA-N 322.767 3.300 0 40 DGAB CC(C)C(=O)N1CCC[C@H]1C(=O)Nc1ccc(F)cc1Cl 71970705 KYNXQIYGTYGOJI-ZDUSSCGKSA-N 312.772 3.065 0 40 DGAB CC[C@H]1CCCCN1Cc1csc(N(C(C)=O)C2CC2)n1 70007123 IHABYMAPTFHICO-AWEZNQCLSA-N 307.463 3.423 0 40 DGAB Cc1ccc(C)c2sc(NC(=O)[C@H](C)n3ccnc3)nc12 69513457 IXUMOPLCLCJBLC-NSHDSACASA-N 300.387 3.309 0 40 DGAB COc1ccc([C@@H](C)N2CCC(CNC(C)=O)CC2)cc1Cl 69776227 SWVQAFMWIHFLHF-GFCCVEGCSA-N 324.852 3.258 0 40 DGAB Cc1nnc(CN[C@H](C[C@@H]2CCOC2)c2ccccc2)s1 97033629 AOYKXYYOCPZOKK-DZGCQCFKSA-N 303.431 3.104 0 40 DGAB C[C@H](NC(=O)[C@H]1CC(=O)Nc2cc(F)ccc21)c1ccccc1 8734967 PWLNHLNQAVWRKQ-NHYWBVRUSA-N 312.344 3.129 0 40 DGAB CO[C@H](C)c1nc(CN(C)Cc2nc3c(s2)CCC3)cs1 97033999 XPFKKVYSBDMXFZ-SNVBAGLBSA-N 323.487 3.428 0 40 DGAB CC(C)(C)c1cnc([S@](=O)Cc2nccn2C(F)F)s1 95413806 WWJHLUNBTGASGL-FQEVSTJZSA-N 319.402 3.340 0 40 DGAB CC1(C)CN(CCCOc2ccc3c(c2)OCO3)CCS1 75107719 ABRIIYWUZSKICS-UHFFFAOYSA-N 309.431 3.012 0 40 DGAB Cc1nn(C(=O)c2ccncc2)c2c1nnc1ccc(Cl)cc12 68604191 JUNDXMXYXFHXSS-UHFFFAOYSA-N 323.743 3.025 0 40 DGAB COc1ccc(/C=C2/SC(=O)N(C(C)C)C2=O)c(OC)c1 409024059 SWIXBBVUJIBATF-NTUHNPAUSA-N 307.371 3.149 0 40 DGAB Cc1ccc(N[C@@H]2CC(=O)N(c3cccc(C)c3C)C2=O)cc1 36635397 CZPRJOFKOIQBTM-MRXNPFEDSA-N 308.381 3.356 0 40 DGAB C[C@H](O)CN[C@H](c1ccc(Br)cc1)c1ccco1 183924117 LAVSZOXLHXLWAD-IINYFYTJSA-N 310.191 3.102 0 40 DGAB Clc1ccc2c(N3CCC(n4cncn4)CC3)ccnc2c1 78987979 JLKGVKPZGCRMRY-UHFFFAOYSA-N 313.792 3.321 0 40 DGAB CC(C)(C)n1ncc2c1CCC[C@@H]2NC(=O)CCc1ccco1 47282041 UUFRFWQXPXXSAN-HNNXBMFYSA-N 315.417 3.358 0 40 DGAB Cc1cc(C)n(-c2nc3c(C)cc(SCCO)cc3s2)n1 45946615 NCQWBPBTSMPWTE-UHFFFAOYSA-N 319.455 3.492 0 40 DGAB CCCCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccco1 222947789 WSKZMQDMDZTUKB-LSDHHAIUSA-N 301.415 3.447 0 40 DGAB O=C(N[C@@H]1C=CCCC1)N[C@H]1CCO[C@@H](c2ccccc2)C1 195564867 ZPCDSGNLZOFZQL-IXDOHACOSA-N 300.402 3.315 0 40 DGAB Cc1ccc(NC(=O)[C@@H]2COc3ccccc3O2)c2cccnc12 41157619 KERLBNWFSFQOLQ-KRWDZBQOSA-N 320.348 3.322 0 40 DGAB COc1ccc(C(=O)NCCn2ccc3cc(OC)ccc32)cc1 40819781 JPAGUWOMKWFHBG-UHFFFAOYSA-N 324.380 3.089 0 40 DGAB Cc1ccc(CC(=O)NCCCN(C)c2ccccc2)c(C)c1 225465131 DBOCAENGXFRSLH-UHFFFAOYSA-N 310.441 3.489 0 40 DGAB CCCCNC(=O)N1CCC[C@@H](c2nc([C@H](C)CC)no2)C1 41123209 RVVYTSQQJPQLIA-CHWSQXEVSA-N 308.426 3.272 0 40 DGAB CCOC(=O)c1cccc(NC(=O)c2ccc(OC)c(C)c2)c1 224960890 SFDAXRDPCSMADL-UHFFFAOYSA-N 313.353 3.433 0 40 DGAB O=C(/C=C/c1ccccc1)N[C@@H](c1cccnc1)C1CCOCC1 225617186 KVXNLHYKDPBWMC-NDDJGDGRSA-N 322.408 3.379 0 40 DGAB COc1c(C)cc(S(=O)(=O)Nc2cc(C)ccn2)c(C)c1C 41096151 RGOPSMWWTARLNF-UHFFFAOYSA-N 320.414 3.125 0 40 DGAB CC[C@H](CSC)N(C)C(=O)Nc1cccc([S@](C)=O)c1 91174850 NJKBCOMICXZOTN-MPBGBICISA-N 314.476 3.029 0 40 DGAB CC(C)Sc1ccccc1NC(=O)N[C@@H]1C=C[C@H](CO)C1 96474196 BFUMZZJBUZXFQS-QWHCGFSZSA-N 306.431 3.246 0 40 DGAB C[C@@H](NCc1cn(C)cn1)c1ccc(OCC2CC2)c(F)c1 585083564 GHJVRHWMMOELEY-GFCCVEGCSA-N 303.381 3.199 0 40 DGAB CO[C@H](C)c1nc(CS(=O)(=O)CC2CCCCC2)cs1 96446915 BLPFLKIWLVSREZ-LLVKDONJSA-N 317.476 3.346 0 40 DGAB c1ccc(-c2noc(Cn3c(C4CC4)nc4ccccc43)n2)nc1 96405232 JUHVZCVEKBXXGN-UHFFFAOYSA-N 317.352 3.407 0 40 DGAB CO[C@@H](C(=O)NCc1ccnc2ccccc12)c1ccccc1 96451544 MVNFAOLCWKMJNV-GOSISDBHSA-N 306.365 3.239 0 40 DGAB Cc1c[nH]c([C@@H]2CCN(C(=O)c3oc4ccccc4c3C)C2)n1 257341904 ZMJKYQAYEYZXNV-CYBMUJFWSA-N 309.369 3.402 0 40 DGAB O=C(CC1(O)CCCCC1)N1CCC[C@@H]1CCc1ccncc1 257343136 ZRQCKXOQAFYHTF-QGZVFWFLSA-N 316.445 3.091 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)c3ccc4c(c3)CCC4)C2)n1 257228395 FTQHXESUQIYVCF-KRWDZBQOSA-N 309.413 3.227 0 40 DGAB O=C(O)C1CCC(Nc2ccc(N3CCCCC3)cn2)CC1 263508762 YABWFKUYUBFGKK-UHFFFAOYSA-N 303.406 3.127 0 40 DGAB Cc1nc(C(=O)N2CCC[C@H](C)C2)nn1-c1ccccc1Cl 65539220 RGSDVJZFPLOTJV-NSHDSACASA-N 318.808 3.101 0 40 DGAB Cc1c(Cl)cccc1NC(=O)[C@@H](C)SC[C@H](C)CO 72298270 JYWGSUPJIIHCOZ-MWLCHTKSSA-N 301.839 3.337 0 40 DGAB O=C(NCc1cccs1)Nc1cccc(-c2nnco2)c1 44087301 WWZIFMSERAEQRQ-UHFFFAOYSA-N 300.343 3.120 0 40 DGAB Cc1cc(NC(=O)N2CCCN(CC3CCCCC3)CC2)no1 56345891 ZIHWLGRTHZCQHB-UHFFFAOYSA-N 320.437 3.103 0 40 DGAB Cc1cc2ncnc(N3CCC[C@@H]4CN(C)CC[C@H]43)c2cc1C 108398049 FBRXTDRODTUKNO-CRAIPNDOSA-N 310.445 3.167 0 40 DGAB Cc1cc(N2CCN(c3ccc(Cl)c(Cl)c3)CC2)ncn1 664252240 KAPUPJDSSGVHKW-UHFFFAOYSA-N 323.227 3.418 0 40 DGAB O=C(/C=C/c1ccccc1)N1CCN(c2ccccc2F)CC1 224546 PDMJWRTVNYLVFW-ZHACJKMWSA-N 310.372 3.188 0 40 DGAB CCOC(=O)c1cnc2c(C(F)(F)F)ccc(F)c2c1O 103289237 AQADRFFPNFBFOB-UHFFFAOYSA-N 303.211 3.275 0 40 DGAB O=C1CCCCC(=O)N1Nc1nc2c(Cl)cccc2s1 5582593 ICVRFXFHMGKUTD-UHFFFAOYSA-N 309.778 3.206 0 40 DGAB O=C(c1ccccc1F)N1CCC(c2n[nH]c3ncccc23)CC1 12143438 ODXIIAYIGZAJRO-UHFFFAOYSA-N 324.359 3.117 0 40 DGAB CCc1cc(C(=O)N2CCC(c3cc4cccnc4[nH]3)CC2)on1 12222263 JHAYKVXKZUUNBV-UHFFFAOYSA-N 324.384 3.133 0 40 DGAB CCc1[nH]c(C(=O)Nc2ccc(F)c(F)c2)c(C)c1C(=O)OC 15658294 LOEUXCVGNKQCCV-UHFFFAOYSA-N 322.311 3.203 0 40 DGAB O=C(Nc1nnc(-c2ccsc2)s1)[C@@H]1CC12CCOCC2 531361227 RUUMAYDQDSXNDM-JTQLQIEISA-N 321.427 3.022 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1N1C(=O)c2ccccc2C1=O 19897960 BRPVYWAUCGZINE-UHFFFAOYSA-N 317.348 3.290 0 40 DGAB CSCC[C@H](O)CNC(=O)c1ccc(-c2ccsc2)cc1 1888920839 PMZQDTWXNAICAT-HNNXBMFYSA-N 321.467 3.259 0 40 DGAB CC1(C)[C@@]2(C)CC[C@@]1(C(=O)Nc1cc(F)ccc1F)OC2=O 100190147 XBQVXVQKRWGHBD-HOTGVXAUSA-N 309.312 3.025 0 40 DGAB CC(=O)OCC(=O)c1ccc(C(F)(F)F)cc1C(F)(F)F 575361157 SNERYWBVAUTRNJ-UHFFFAOYSA-N 314.181 3.470 0 40 DGAB O=S(=O)(NCCc1cccc2ccccc12)c1ccccc1 30430272 SKZWWORHVUUZOL-UHFFFAOYSA-N 311.406 3.361 0 40 DGAB O=C(NC1CCCC1)N1CCC(OCc2ccccc2)CC1 31081216 CIGFBNHNSXXUAY-UHFFFAOYSA-N 302.418 3.320 0 40 DGAB CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)c2ccc(C)s2)C1 50735738 GUGYQPHEFOSCSE-TZMCWYRMSA-N 322.474 3.214 0 40 DGAB Cc1ccn2c(CN3CCOCC3)c(-c3ccccc3)nc2c1 20366198 XWRNYKBJTXUZEB-UHFFFAOYSA-N 307.397 3.142 0 40 DGAB CC[C@@H]1CN(C(=O)c2cnc(-c3ccccc3)s2)CCO1 40535491 XHFOLSHCBWLFLM-CYBMUJFWSA-N 302.399 3.061 0 40 DGAB Cc1ccc(C)c(OCC(=O)Nc2ccc3c(c2)OCCO3)c1 330453 GIGUWBWLUFEPHZ-UHFFFAOYSA-N 313.353 3.092 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)Nc2ncc(C)s2)c1 32924101 XLGFXFABSYFVSW-LLVKDONJSA-N 306.387 3.004 0 40 DGAB Cc1cn2c(CC(=O)N[C@@H](C)[C@@H]3C[C@H]4CC[C@H]3C4)csc2n1 103413924 GJYBZBRJBONUST-ABHRYQDASA-N 317.458 3.188 0 40 DGAB C[C@@H]1CC[C@@H](C)N1[C@@H]1CCCN(c2cnc3ccccc3n2)C1 53573753 LUIRIZKQVHZMND-BZUAXINKSA-N 310.445 3.471 0 40 DGAB Cc1csc(NC(=O)c2c[nH]c3ccc(Cl)cc3c2=O)n1 23118807 BZFFRDMHHDHNFB-UHFFFAOYSA-N 319.773 3.199 0 40 DGAB Cc1noc([C@@H]2CCCN(C(=O)c3ccc(Cl)cc3F)C2)n1 54662746 XAIBSBZVXOFLOB-SNVBAGLBSA-N 323.755 3.190 0 40 DGAB O=C(c1ccccc1Br)n1cnc2ccccc21 116942 CNMPUZZGRNVSAO-UHFFFAOYSA-N 301.143 3.487 0 40 DGAB Cc1nnc(SCC(=O)Nc2cccc3cccnc23)s1 515985 AGOOGKIPUKJSKS-UHFFFAOYSA-N 316.411 3.126 0 40 DGAB CCN(CC)C(=O)c1cc[n+](Cc2ccc(Cl)cc2)cc1 1726167 NGPIIFJMGPCWSQ-UHFFFAOYSA-N 303.813 3.158 0 40 DGAB CC(C)(C)c1ccc(OCCCC(=O)NC2=NCCS2)cc1 2661020 IXMAETAZRNHAQE-UHFFFAOYSA-N 320.458 3.362 0 40 DGAB O=C1CSC(Nc2ccc(Cl)cc2Br)=N1 2766514 NFUCQGUKCYKIEO-UHFFFAOYSA-N 305.584 3.144 0 40 DGAB C[C@@H]1CCC[C@@H](O)CCCCCc2cc(O)cc(O)c2C(=O)O1 3831616 DWTTZBARDOXEAM-OCCSQVGLSA-N 322.401 3.291 0 40 DGAB endogenous,in-man Cc1c(C(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c2ccccc2n1C 4062524 ZAHYEHRQUGMZGM-IUODEOHRSA-N 312.413 3.364 0 40 DGAB Cc1ccc(N2C(=O)[C@@H](C)S[C@@]23C(=O)Nc2ccccc23)cc1 4143163 BILOULZYQSERFU-XIKOKIGWSA-N 324.405 3.268 0 40 DGAB O=C(Nc1nnc(Cc2ccccc2F)s1)c1ccco1 4178884 OXGADEMIPNJIPR-UHFFFAOYSA-N 303.318 3.113 0 40 DGAB CCC(=O)Nc1cccc(-n2c(C)nc3ccccc3c2=O)c1 4585448 OTPSFJZMGVRFPX-UHFFFAOYSA-N 307.353 3.043 0 40 DGAB Cc1cc(C)nc(NC(=O)COc2cccc3ccccc23)n1 4666232 LNAKLNSXTUQYGO-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB O=C1c2ccccc2C(=O)N1C[C@H](c1ccco1)N1CCCCC1 5937974 ZELURUNUAWZVNL-MRXNPFEDSA-N 324.380 3.103 0 40 DGAB C[C@H](NC(=O)COc1cccc2cccnc12)c1ccccc1 6127987 JWBSGXGYGUFKTB-AWEZNQCLSA-N 306.365 3.491 0 40 DGAB O=C(CN1C(=O)c2cccc3cccc1c23)NCc1cccs1 6128216 OSFSWUYNEPIAMJ-UHFFFAOYSA-N 322.389 3.178 0 40 DGAB O=C(CSc1nnc(C2CC2)n1-c1ccccc1)c1ccc[nH]1 8025718 FWCMGWTZFHBYBF-UHFFFAOYSA-N 324.409 3.448 0 40 DGAB CC(C)(C)Nc1nnc(SCc2ccc(C(N)=O)cc2)s1 8327071 VVAHDFNJNOGXFU-UHFFFAOYSA-N 322.459 3.140 0 40 DGAB COC(=O)[C@@H](C)Sc1nnc(Nc2ccccc2F)s1 9366430 CGOPIIVNLIAZMN-SSDOTTSWSA-N 313.379 3.074 0 40 DGAB C[C@H](NC(=O)c1ccc(F)cc1F)c1nc2ccccc2[nH]1 9467613 GFWZQNQSNRLFKE-VIFPVBQESA-N 301.296 3.332 0 40 DGAB CC(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 9484371 GHEZPKRZYGNKNY-LBPRGKRZSA-N 301.317 3.434 0 40 DGAB COc1cc2ncnc(N[C@@H](C)c3ccccn3)c2cc1OC 9833602 GXKPAVTVBCJIRK-NSHDSACASA-N 310.357 3.215 0 40 DGAB CC1CCN(CCCNC(=O)CSCc2ccccc2)CC1 10540268 LCGAIJJRYLZKDD-UHFFFAOYSA-N 320.502 3.158 0 40 DGAB Cc1ccccc1CC(=O)N[C@@H]1CC(C)(C)Cc2c1cnn2C 12146185 COZKAMDEPMRFKU-MRXNPFEDSA-N 311.429 3.101 0 40 DGAB C[C@H]1CCC[C@H](C)N1C(=O)CSc1nc2ccccc2[nH]1 12616396 CGYHRVGCEWKHPJ-RYUDHWBXSA-N 303.431 3.445 0 40 DGAB CCCc1nc(CN(C)CC(=O)Nc2cccc(F)c2)cs1 12975974 LNBZCSSRHUVZTD-UHFFFAOYSA-N 321.421 3.305 0 40 DGAB O=C(Nc1cccc2cn[nH]c12)c1cnn(Cc2ccccc2)c1 12978689 NGYFEHYZRPLVTK-UHFFFAOYSA-N 317.352 3.060 0 40 DGAB O=C1CN(C(=O)CCCc2cccs2)c2ccccc2N1 13003381 GAVQYLRVERGZCI-UHFFFAOYSA-N 300.383 3.056 0 40 DGAB Cc1nc2c3c(C)c(C)sc3nc(NCc3ccco3)n2n1 13655618 OBYXUJJVMWPKNT-UHFFFAOYSA-N 313.386 3.469 0 40 DGAB CC(=O)c1cc2c(cc1NC(=O)c1cccc(F)c1)OCCO2 13946013 VPTIIUSHZXNJTM-UHFFFAOYSA-N 315.300 3.052 0 40 DGAB CCCNC(=O)[C@@H](C)NC(=O)c1oc2c(Cl)cccc2c1C 17800859 PCIZMJPAHDIQLI-SNVBAGLBSA-N 322.792 3.039 0 40 DGAB COc1cc(N)ccc1NC(=O)c1cc(Cl)ccc1OC 21507210 PWVLQOIABHIEQR-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB CCOC(=O)c1cnc(SC/C=C/c2ccccc2)nc1N 23200292 HEGSRDODKHXERQ-RMKNXTFCSA-N 315.398 3.041 0 40 DGAB C[C@@H](NC[C@H](O)COc1ccc2ccccc2c1)c1ccccn1 23675461 MYVLQGOAUNKBJF-QAPCUYQASA-N 322.408 3.325 0 40 DGAB COC(=O)c1c2n(c(=O)c3oc(C)c(-c4ccccc4)c13)CCC2 26897288 LTKKJUGUMNJUSF-UHFFFAOYSA-N 323.348 3.303 0 40 DGAB COc1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1 27664723 AIWDCZTXIYVFDO-UHFFFAOYSA-N 313.288 3.137 0 40 DGAB Cc1onc(-c2ccc(F)cc2)c1C(=O)N[C@H](C)[C@H]1CCCO1 27904037 NNUZMNWWDQQGQS-QMTHXVAHSA-N 318.348 3.086 0 40 DGAB O=C(Nc1ccc(-n2cc(Cl)cn2)cc1)c1n[nH]cc1Cl 28245226 URHXHCCADJZZJP-UHFFFAOYSA-N 322.155 3.155 0 40 DGAB O=C(NCCCn1cccn1)C(c1ccccc1)c1ccccc1 30170808 XNNLCQNUZHQBNL-UHFFFAOYSA-N 319.408 3.222 0 40 DGAB Cc1ccc2c(=O)n(C3CC(C)(C)NC(C)(C)C3)cnc2c1C 32580923 UGQODMJDCKWEAR-UHFFFAOYSA-N 313.445 3.495 0 40 DGAB COc1ccc(NC(=O)CCCc2nc(C(C)(C)C)no2)cc1 33145525 OZIQNJOWAWNNJM-UHFFFAOYSA-N 317.389 3.337 0 40 DGAB O=C1NCCCC[C@H]1N(Cc1ccccc1)Cc1ccccc1 38635481 BRAYCQJGMBISSA-LJQANCHMSA-N 308.425 3.358 0 40 DGAB COc1ccc2c(c1)CCN(C(=O)Cn1ccc3ccccc31)C2 38677137 VKHIIXOOOLSHSD-UHFFFAOYSA-N 320.392 3.235 0 40 DGAB O=C(Cc1ccc(Cl)c(Cl)c1)NCCc1ccccn1 40459743 ZPEINQOXDLLCIE-UHFFFAOYSA-N 309.196 3.290 0 40 DGAB O=C(Nc1ccccc1C(F)(F)F)NC1CCC(O)CC1 40525540 PDTSSYLZDUBSLO-UHFFFAOYSA-N 302.296 3.130 0 40 DGAB CC(C)(C)c1cnc(CN2CCN(c3ccc(F)cc3)CC2)o1 41646415 FIDPZYCNGYRJNI-UHFFFAOYSA-N 317.408 3.433 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)NC2CCC(C)CC2)c(C)c1 42646586 QSFPRBDIBCGHTK-UHFFFAOYSA-N 302.418 3.245 0 40 DGAB O=C(c1cc(-c2ccccc2)no1)N1CCO[C@@H]2CCCC[C@H]21 46481787 DNILEXXDZJEFBJ-HZPDHXFCSA-N 312.369 3.125 0 40 DGAB COc1ccc(NC(=O)NCc2ccc(OC)cc2OC)cc1 47324056 QFKHHQVXVSMKPQ-UHFFFAOYSA-N 316.357 3.034 0 40 DGAB CC[C@@H](C)NC(=O)c1cccc(CNC(=O)c2ccoc2C)c1 48311432 LZQFRZVUKFCNBQ-GFCCVEGCSA-N 314.385 3.046 0 40 DGAB O=c1c2sccc2ncn1Cc1ncc(-c2ccccc2)o1 48355528 FHQLSUFMMGJICM-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB O=S(=O)(N[C@@H]1CCc2cc(Cl)ccc21)c1cccs1 49336133 JPQAEDGFXBGEKU-GFCCVEGCSA-N 313.831 3.367 0 40 DGAB O=C(NCCSCc1cccs1)[C@@H]1C[C@H]1c1ccco1 49398271 UCRZDQGAEWONDV-CHWSQXEVSA-N 307.440 3.494 0 40 DGAB Cc1cc(SCC(=O)O)nc(Cc2ccc(Cl)cc2)n1 49468910 ZFOVEKIIHHJXMO-UHFFFAOYSA-N 308.790 3.206 0 40 DGAB CC(C)c1ccc([C@@H](O)Cn2c(CO)nc3ccccc32)cc1 51092881 NGVNPNICOUBAPQ-SFHVURJKSA-N 310.397 3.386 0 40 DGAB O=C(NCC(F)(F)F)c1cccnc1SC1CCCC1 54844877 NMLYFNAZVITJMI-UHFFFAOYSA-N 304.337 3.408 0 40 DGAB CC[C@@H](C)Oc1ccc(NC(=O)NC[C@@H]2CCCOC2)cc1 56742746 BNRRUVVNLJYPFM-KGLIPLIRSA-N 306.406 3.412 0 40 DGAB CC(C)(C)CCNC(=O)C1(c2ccc(F)cc2)CCOCC1 57208563 SVJAVHSRTVFVEP-UHFFFAOYSA-N 307.409 3.426 0 40 DGAB O=C(Nc1ccccc1Cc1ccccc1)c1cccc[n+]1[O-] 58356426 IVYOZJPHINWRIF-UHFFFAOYSA-N 304.349 3.163 0 40 DGAB O=C(NO[C@@H]1CCCCO1)c1cccc2c3c([nH]c12)CCCC3 58431246 OAXSOEKWBPRILW-MRXNPFEDSA-N 314.385 3.235 0 40 DGAB C[C@H](c1ccccc1Cl)N(C)C(=O)COCC(F)(F)F 60616256 ASKOCTSQLYKGFW-SECBINFHSA-N 309.715 3.438 0 40 DGAB O=C(Nc1ccccc1)N1CCCCC[C@@H]1C1CCNCC1 68589805 MNKDMSOCNQOAOK-QGZVFWFLSA-N 301.434 3.463 0 40 DGAB in-vitro O=C(Nc1cccc(N2C(=O)c3ccccc3C2=O)c1)C1CCC1 69529800 MYMKNGJHTWYOTP-UHFFFAOYSA-N 320.348 3.226 0 40 DGAB CN(Cc1ccccn1)C(=O)c1ccc(N2CCCC2)c(F)c1 69620475 DHFUIPQEOAZQHS-UHFFFAOYSA-N 313.376 3.093 0 40 DGAB CCCn1nc(C(=O)N2CCCCC[C@H]2C(C)(C)C)ccc1=O 69950885 SBRIBWHFSIBLRP-HNNXBMFYSA-N 319.449 3.084 0 40 DGAB CCSc1ccccc1C(=O)NC[C@H](O)Cc1ccccc1 70639239 YYVMBCJXGNXXRR-OAHLLOKOSA-N 315.438 3.132 0 40 DGAB CCn1c(C)cc(C(=O)N2CCC[C@H]2c2cc(C)no2)c1C 71820955 VAVAHUSRMFZKGR-HNNXBMFYSA-N 301.390 3.399 0 40 DGAB CC[C@H](OC1CCCC1)C(=O)Nc1cccc(C)c1C(=O)NC 71903563 ZHGYIDLENVLKDY-HNNXBMFYSA-N 318.417 3.031 0 40 DGAB CCOc1cc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)ccc1C 72944330 WFOXYQTVLJIJLG-CVEARBPZSA-N 317.433 3.094 0 40 DGAB C[C@H](NC(=O)CC1(O)CCCCC1)c1csc(C2CC2)n1 73617196 FWNPWZKJJBYDBH-NSHDSACASA-N 308.447 3.283 0 40 DGAB c1ccc([C@@H](Cn2cncn2)Nc2ncnc3sccc23)cc1 78334124 LMQMTDXXRMDIQO-CQSZACIVSA-N 322.397 3.136 0 40 DGAB O=C1NCCCC[C@H]1SCc1coc(-c2ccc(F)cc2)n1 78555725 ZMNPRAIZHRSFSI-CQSZACIVSA-N 320.389 3.383 0 40 DGAB Cc1ccccc1C(=O)NC[C@@H](O)c1cccc(C(F)(F)F)c1 78664705 QTDBTYFPGQLHSJ-OAHLLOKOSA-N 323.314 3.477 0 40 DGAB Cc1noc(C)c1CS[C@H]1CCN(c2ccccc2F)C1=O 79028192 LPZDWEDPGFOHNH-HNNXBMFYSA-N 320.389 3.469 0 40 DGAB CC[C@]1(C)CCCN(C(=O)[C@@H]2Cc3ccccc3N2C(C)=O)C1 81322235 PIPMMVAZAJUWAY-PKOBYXMFSA-N 314.429 3.003 0 40 DGAB Cc1cccc(C(=O)N2CCC[C@@H]2CC(=O)c2ccccc2)n1 85490631 HEEOEDTZBJWPPR-MRXNPFEDSA-N 308.381 3.268 0 40 DGAB Cc1cc(CS[C@@H]2CCCN(Cc3ccccc3)C2=O)on1 89602469 GJXUMIMKOUEXBO-MRXNPFEDSA-N 316.426 3.407 0 40 DGAB CC(C)(C)c1nccc(N2CCOC[C@@H]2Cc2ccccc2)n1 89761527 KYJPXLNEKDMFIT-INIZCTEOSA-N 311.429 3.222 0 40 DGAB CC[C@H](N[C@H]1CCN(C(=O)C2CC2)C[C@@H]1C)c1ccccc1 89947890 QGZDDWJPXQHTLE-WBAXXEDZSA-N 300.446 3.374 0 40 DGAB Cc1cccc(-c2[nH]ncc2/C=C/c2cc(C(=O)O)ncn2)c1 90072019 DPFJIROYZOAZAW-AATRIKPKSA-N 306.325 3.044 0 40 DGAB Cc1ccc(S(=O)(=O)CCCN2CCC3(CCC3)C2)cc1 91591587 MITJSKXIXMMRKG-UHFFFAOYSA-N 307.459 3.035 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)C(=O)NCCc2ccc(O)cc2)C1 95411228 RFSDPOKDFSIKDW-GOEBONIOSA-N 322.474 3.250 0 40 DGAB Cc1cc(O)c(C(C)C)cc1NC(=O)c1nccn2ccnc12 95431739 QXFGICSWIYUFRA-UHFFFAOYSA-N 310.357 3.119 0 40 DGAB O=C(OCc1nnc(C2CC2)n1C1CC1)c1cc(F)ccc1F 96008791 NYDDTFZPYCEUPN-UHFFFAOYSA-N 319.311 3.126 0 40 DGAB COC[C@@H]1CN(Cc2cccs2)Cc2ncn(CC3CC3)c21 96060264 LJGVDTFPFTWVCJ-AWEZNQCLSA-N 317.458 3.100 0 40 DGAB CO[C@@H](CNC(=O)NCc1cccs1)c1ccccc1C 96105179 SIXPDQAAMVKHIQ-HNNXBMFYSA-N 304.415 3.243 0 40 DGAB CC1CCC(NC(=O)c2noc(-c3ccccc3F)n2)CC1 96125562 SDKZKAPQUFNYPB-UHFFFAOYSA-N 303.337 3.184 0 40 DGAB Cc1nc(CN2CCC3(C2)CN(Cc2cccs2)C3)cs1 96202525 ARXVLEYJYUMISF-UHFFFAOYSA-N 319.499 3.221 0 40 DGAB Cc1noc2nc(C3CC3)cc(C(=O)N3C[C@H]4CC=CC[C@H]4C3)c12 96423499 SVJWYNPMXDKXJY-OKILXGFUSA-N 323.396 3.447 0 40 DGAB COc1ccc(-c2ncc(C(=O)N3CCCCC3)s2)cc1 96430437 YAZKYVQMKLEPDV-UHFFFAOYSA-N 302.399 3.445 0 40 DGAB COCc1ccccc1NC(=O)NC[C@@H]1CCO[C@H]1C(C)C 96455181 ROJSRZKIEYBOFZ-BBRMVZONSA-N 306.406 3.016 0 40 DGAB COc1cccc(-c2cc(-c3nc(C(C)(C)OC)no3)[nH]n2)c1 96476470 ANCLDUMCQWOKIT-UHFFFAOYSA-N 314.345 3.017 0 40 DGAB CCOc1cc(NC(=O)NCCc2cscn2)ccc1C 96484123 DQDPXMDZARIRJC-UHFFFAOYSA-N 305.403 3.214 0 40 DGAB C[C@@H](N[C@H](c1cccc(C(F)(F)F)c1)C1CC1)C(=O)N(C)C 96493203 SWFNMBMPDDAPNT-YGRLFVJLSA-N 314.351 3.223 0 40 DGAB Cc1cscc1C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1 97035317 JFFRGHAHCNANFK-CYBMUJFWSA-N 307.346 3.141 0 40 DGAB Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCc1cccc(C(=O)O)c1 97035848 QIRDMHDXPJEURN-ZIAGYGMSSA-N 315.394 3.175 0 40 DGAB COC(=O)Nc1ccc(N[C@H](C)c2cnc(C)nc2C)cc1 97037446 LZTAQPWPEYJIJY-LLVKDONJSA-N 300.362 3.445 0 40 DGAB CN(Cc1ccc(Br)c2cccnc12)[C@@H]1CCOC1 97048647 NUFZQPPXZGRJCS-GFCCVEGCSA-N 321.218 3.218 0 40 DGAB C[C@@H](CC(=O)c1ccco1)NC(=O)c1ccc(O)c(Cl)c1 97080116 KQLPZUSUOJMPEK-VIFPVBQESA-N 307.733 3.030 0 40 DGAB CC(C)Cc1ncc(CNC(=O)c2ccc(O)cc2F)s1 97100841 SVKHCBXQVDDMPU-UHFFFAOYSA-N 308.378 3.116 0 40 DGAB Cc1cccc(C2CC(N[C@H](C)C(=O)NCc3ccco3)C2)c1 97108565 OQZOFRYLHBNIPR-ODIFPOPNSA-N 312.413 3.129 0 40 DGAB CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(Cl)s2)n1 97111492 CHPPKYUFZPWVQF-YUMQZZPRSA-N 301.799 3.343 0 40 DGAB C[C@@H]1CCN(C(=O)Nc2ccccc2C[S@](C)=O)C[C@@H]1C 97140982 JGYATWWMZLRQQN-RRMDADRESA-N 308.447 3.075 0 40 DGAB CCc1ccccc1N1C(=O)C[C@@H](Nc2cccc(C)c2)C1=O 101275649 MQYCMTLCBRYCRU-MRXNPFEDSA-N 308.381 3.301 0 40 DGAB O=C(C1c2ccccc2Oc2ccccc21)N1[C@H]2CC[C@H]1COC2 101466976 MGQXSKCKGNJXRL-KBPBESRZSA-N 321.376 3.314 0 40 DGAB Cc1cc(/C=C2\NC(=O)N(Cc3ccccc3)C2=O)cc(C)c1O 108234130 ZIULNYZXJAVNHS-YBEGLDIGSA-N 322.364 3.102 0 40 DGAB CCn1cc(C(=O)NCCC(C)C)c(=O)c2cc(Cl)ccc21 181829646 LVJDHLIPOIZADN-UHFFFAOYSA-N 320.820 3.451 0 40 DGAB CCCCOCCOC(=O)c1snnc1-c1ccc(F)cc1 223841597 YXKVTBOYONWHPA-UHFFFAOYSA-N 324.377 3.318 0 40 DGAB COc1ccc(C(=O)NCCCOC2CCCCC2)cc1C 225345167 VNXQKHDDFZFGKW-UHFFFAOYSA-N 305.418 3.473 0 40 DGAB O=C(c1cnc2ccccc2c1)N1CCC[C@H](c2cnccn2)C1 257259857 LAIIDSKQVLOMDI-HNNXBMFYSA-N 318.380 3.045 0 40 DGAB O=C(c1cc2cccc(F)c2[nH]1)N1CCC[C@H](c2ccn[nH]2)C1 257274078 NJKKVGQCFSEIDY-LBPRGKRZSA-N 312.348 3.050 0 40 DGAB CC(C)Cc1ncc(-c2cncc(C[C@@H]3CCCNC3)n2)s1 257337321 YSIHSEARFHYSQU-ZDUSSCGKSA-N 316.474 3.341 0 40 DGAB Cc1nccc(NC(=O)N(C)[C@H]2CCCc3nc(C)sc32)n1 408351079 BWNUWTYFIDFXNT-LBPRGKRZSA-N 317.418 3.091 0 40 DGAB CC(C)[C@@H]1CCCN(C(=O)Cc2ccc3c(c2)CCO3)CC1 513341633 XHRRKBZIRJIGTL-MRXNPFEDSA-N 301.430 3.449 0 40 DGAB O=C(COc1ccc(Cl)cc1)NCc1cncc(C2CC2)c1 575606152 KWYJADCSJRECJO-UHFFFAOYSA-N 316.788 3.308 0 40 DGAB C/C(=C\C(=O)Nc1ccccc1[C@@H](O)c1ccccn1)C1CC1 585079794 QIXZMNMKYSESEK-JXOMPUQVSA-N 308.381 3.458 0 40 DGAB CCc1ccc(NC(=O)[C@H]2CCCN(c3ccc(C)nn3)C2)cc1 585234248 AYNZXUCHABHDTR-INIZCTEOSA-N 324.428 3.203 0 40 DGAB CCO[C@H]1C[C@H]2C[C@H]1CN2C(=O)c1cccc(OC(C)C)c1 1565551498 OLUVQAAANYLWRD-UXLLHSPISA-N 303.402 3.113 0 40 DGAB O=C(c1cc(-c2cccnc2)on1)N1CCC(=C2CCC2)CC1 1775986165 YLERICNPEGAVPB-UHFFFAOYSA-N 309.369 3.453 0 40 DGAB Cc1ccc(NC(=O)c2ccc3nc(C)cn3n2)c(Cl)c1 2087045380 DBTXYBJMNUQQSP-UHFFFAOYSA-N 300.749 3.252 0 40 DGAB Cc1ccc(CNC(=O)[C@@H](C)Oc2ccccc2)c(=S)[nH]1 141118 NVUFEPZCLRXDDD-GFCCVEGCSA-N 302.399 3.136 0 40 DGAB CC(=O)Nc1ccc2nc(NC(=O)c3cccs3)oc2c1 558347 VSATWBHZBXHTPX-UHFFFAOYSA-N 301.327 3.100 0 40 DGAB O=C(O)[C@H]1CCCC[C@H]1C(=O)N1CCC(c2ccccc2)CC1 575984 CSQVMZHWIQNHBW-SJORKVTESA-N 315.413 3.284 0 40 DGAB Cc1cc(N2C[C@@H](C)O[C@H](C)C2)n2cc(-c3ccccc3)nc2n1 1384178 OVHWPPLFYVJFGT-HUUCEWRRSA-N 322.412 3.318 0 40 DGAB CON/C=C/c1nc(SCc2ccc(Cl)cc2)nnc1C 3104860 JYQPVTTZJHBZJG-BQYQJAHWSA-N 322.821 3.247 0 40 DGAB CC[C@@H](C)c1ccccc1NC(=O)c1nc2nccc(C)n2n1 3399726 VDKLUFDVYLIRLF-LLVKDONJSA-N 309.373 3.199 0 40 DGAB Cc1ccc(C(=O)OCC(=O)N2CCc3ccccc32)cc1C 3443507 JWNCVMGBADEUCA-UHFFFAOYSA-N 309.365 3.050 0 40 DGAB CN1C(=S)N(Cc2ccccc2)C(=O)/C1=C/c1ccccc1 4649132 XOOPMQYDASXOSR-VBKFSLOCSA-N 308.406 3.287 0 40 DGAB CCOc1ccccc1Oc1nc2ccccc2n2cnnc12 5389082 ICGOGHRHYWEOHN-UHFFFAOYSA-N 306.325 3.469 0 40 DGAB CCOC(=O)[C@@H]1C(C)=NC(S)=N[C@@H]1/C=C/c1ccccc1 5717655 JDFVTFTWJCZLDH-NPUYYSGSSA-N 302.399 3.008 0 40 DGAB CN(C)CCCNC(=O)/C(=C\c1ccccc1)c1ccccc1 6007348 YFZDLRBZVVJEID-MNDPQUGUSA-N 308.425 3.295 0 40 DGAB COc1cc(NC(=O)Nc2ccc(F)cc2)cc(OC)c1OC 6453750 BUBLTIOSTIOCQY-UHFFFAOYSA-N 320.320 3.496 0 40 DGAB O=C(NCc1ccc(F)cc1)c1cc(Br)ccc1O 6510352 CTMQJYBYUCFJGN-UHFFFAOYSA-N 324.149 3.224 0 40 DGAB O=C(COC(=O)c1c[nH]c2ccccc12)Nc1ccc(F)cc1 6787619 FDESBNCRNCCCNK-UHFFFAOYSA-N 312.300 3.103 0 40 DGAB CN(Cc1nc2ccc(Cl)cc2n1CCO)c1ccccc1 7503567 ZAEJAAZWHITFFZ-UHFFFAOYSA-N 315.804 3.318 0 40 DGAB CCCN1C(=O)c2ccccc2N[C@H]1c1ccc(C(=O)O)cc1 7886469 DFKJCWOOWHOCMW-MRXNPFEDSA-N 310.353 3.361 0 40 DGAB CCN(CC)Cc1ccccc1CNC(=O)/C=C/c1ccco1 7945591 RTVLUHWGURGKGM-VAWYXSNFSA-N 312.413 3.451 0 40 DGAB CC(=O)c1ccccc1NCC(=O)Nc1ccc(F)c(F)c1 7976226 PBRJWCRZEXGTCS-UHFFFAOYSA-N 304.296 3.218 0 40 DGAB COC(=O)c1[nH]c2ccc(OCc3ccccc3)cc2c1NC=O 8378125 VDVCZNVTWWRXTI-UHFFFAOYSA-N 324.336 3.102 0 40 DGAB CCOC(=O)Nc1cccc(C(=O)Nc2nc3ccccc3[nH]2)c1 8725281 NINZZUCLUJEFKM-UHFFFAOYSA-N 324.340 3.384 0 40 DGAB CC[C@H](Oc1ccc(C)cc1OC)C(=O)Nc1cc(C)on1 9497188 ZAPDPPNTZIOCLD-LBPRGKRZSA-N 304.346 3.096 0 40 DGAB Cc1ccc(C(=O)NCCc2ccc(-n3cccn3)cc2)cc1F 10222680 QVJNZWYILKNJOU-UHFFFAOYSA-N 323.371 3.292 0 40 DGAB CCc1ccc(C(=O)NCc2ccccc2Cn2cccn2)cc1 10234994 VTEYRYFOFKTERH-UHFFFAOYSA-N 319.408 3.424 0 40 DGAB O=C1NCCCC[C@H]1Sc1nc(C2CC2)nc2ccccc12 11657268 BGIYSQSKDMQHFG-CQSZACIVSA-N 313.426 3.268 0 40 DGAB CCN(Cc1ccc2c(c1)OCCO2)C(=O)c1cc(C)oc1C 12569591 DJMBNQPAMOZPHR-UHFFFAOYSA-N 315.369 3.330 0 40 DGAB Cc1ccc(-n2nc(C)c(C(=O)NC3CCCCC3)n2)c(C)c1 12589617 QUQHATVJVXMJDL-UHFFFAOYSA-N 312.417 3.255 0 40 DGAB COc1ccc(C)cc1NC(=O)Cc1cnn(-c2ccccc2)c1 12792306 MYTGRBGFCPJUBW-UHFFFAOYSA-N 321.380 3.371 0 40 DGAB O=C(c1ccccc1)N1CCC[C@H]1c1ccc2c(c1)OCCO2 12992501 OSCXONRVGJQEHU-INIZCTEOSA-N 309.365 3.435 0 40 DGAB C[C@@H](Oc1cccc(Cl)c1)C(=O)NCCCN1CCCCC1 20108774 QFYBAFMZMXFLSU-CQSZACIVSA-N 324.852 3.100 0 40 DGAB Cc1nc2cc(N[C@@H](C)C(=O)NCc3ccccc3)ccc2o1 21794688 HTCQTRWMCMLPJU-LBPRGKRZSA-N 309.369 3.253 0 40 DGAB COc1ccc(CCN[C@@H](C)C(=O)c2ccc(OC)cc2)cc1 21981509 HFSPRQVIZBSDKD-AWEZNQCLSA-N 313.397 3.107 0 40 DGAB C[C@H](CC(=O)NCCc1cn2ccccc2n1)c1ccccc1 23318848 IYYCSAJIFJVXKO-OAHLLOKOSA-N 307.397 3.187 0 40 DGAB CCN(CC)CCN[C@H](c1ccccc1)[C@H](O)c1ccccc1 23477998 ZMCDSBQGSSIJLF-WOJBJXKFSA-N 312.457 3.393 0 40 DGAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1OC 24034712 SOMXKDUJZGKTTA-SFHVURJKSA-N 324.380 3.433 0 40 DGAB COc1ccc(/C=C/C(=O)N2CCOc3ccccc32)cc1F 24586010 DHBLPNNWTDLFMH-VQHVLOKHSA-N 313.328 3.273 0 40 DGAB O=C(COc1ccccc1)NCCSCc1ccccc1 24606111 KFXNIGMLOLFXMW-UHFFFAOYSA-N 301.411 3.115 0 40 DGAB CC(=O)N[C@H](CC(=O)N1C[C@H](C)C[C@@H](C)C1)c1ccc(C)cc1 25377431 GSDDTWPRKZHYRY-IIDMSEBBSA-N 316.445 3.067 0 40 DGAB NC(=O)[C@@H](Nc1cccc(Br)c1)c1ccccc1 26157825 JJFJPQNWOVCBOS-ZDUSSCGKSA-N 305.175 3.088 0 40 DGAB C[C@H](Cc1cccs1)NS(=O)(=O)c1ccc(Cl)s1 26879870 CGNXKFBRIVSQTM-MRVPVSSYSA-N 321.876 3.373 0 40 DGAB Cc1sc(-c2ccco2)nc1C(=O)N[C@H](C)[C@@H]1CCCO1 27898365 YGMKDASNPLHXQG-KOLCDFICSA-N 306.387 3.009 0 40 DGAB COc1ccccc1C(=O)Nc1ccc(-n2ccc(C)n2)cc1 28303524 XFFICOSQTVFADV-UHFFFAOYSA-N 307.353 3.442 0 40 DGAB CCOc1ccc(N/C=C2\SC(=O)N(C(C)C)C2=O)cc1 36636175 QNYUATMJOVHHKE-LCYFTJDESA-N 306.387 3.442 0 40 DGAB COc1ccc([C@H](C)NCc2c[nH]nc2C)cc1Br 37105998 QPSAYMWHIQPPEY-VIFPVBQESA-N 324.222 3.340 0 40 DGAB CNC(=O)c1cc2sc(Nc3ccccc3OC)nc2s1 44881148 IQCGGNRLVNZQMG-UHFFFAOYSA-N 319.411 3.470 0 40 DGAB Cc1nc(-c2ccc(CNC(=O)CC[C@@H]3CCCO3)o2)cs1 46175948 AHLGWHXDPHICDU-LBPRGKRZSA-N 320.414 3.287 0 40 DGAB Cc1cccc(CSCC(=O)NC2CCN(C(C)C)CC2)c1 48313007 HKMXGPPRYSFEOU-UHFFFAOYSA-N 320.502 3.217 0 40 DGAB O=C(CNc1cc(F)cc(F)c1)N1CCCc2ccccc21 53815349 VZOPNSHFOIWFCC-UHFFFAOYSA-N 302.324 3.356 0 40 DGAB Cn1cc(CNC(=O)Nc2ccccc2OC2CCCC2)cn1 54435262 VDNHOWIWTPIZCD-UHFFFAOYSA-N 314.389 3.063 0 40 DGAB O=C(c1cc2cc(Cl)ccc2[nH]1)N1CCO[C@H]2CCC[C@@H]21 56194078 DCENOQOADHXSSE-GJZGRUSLSA-N 304.777 3.215 0 40 DGAB Cc1cc(-c2csc(NC(=O)c3cnccn3)n2)c(C)o1 58153455 JLXUOQXBRKZSGJ-UHFFFAOYSA-N 300.343 3.062 0 40 DGAB O[C@@H](CN1CCC(OCc2ccccc2)CC1)c1ccccc1 69351869 SXUOFRFIQASDJV-FQEVSTJZSA-N 311.425 3.401 0 40 DGAB Cc1ccc(C[C@H]2CCCN(C(=O)c3ccnc(C)n3)C2)cc1 71184880 MFWATJARLJVCBY-QGZVFWFLSA-N 309.413 3.188 0 40 DGAB Cc1[nH]c2ccc(CNC(=O)N(C)C[C@@H]3CCCO3)cc2c1C 71796087 KTEVYTLOOYTCPR-HNNXBMFYSA-N 315.417 3.105 0 40 DGAB COc1ccc(OC)c2c(S[C@H](C)C(=O)O)cc(C)nc12 72245359 LEFDGFKZUJAJSD-SECBINFHSA-N 307.371 3.126 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1Cc1cn2ccccc2n1 72253556 ISTKXFAXKLYDLJ-MRXNPFEDSA-N 309.417 3.022 0 40 DGAB COc1ccc2c(ccn2CCNC(=O)CCc2ccccc2)c1 72402017 BZPDGIGHASFWBB-UHFFFAOYSA-N 322.408 3.399 0 40 DGAB Cc1ccc(NC(=O)c2ccsc2)cc1N1CCOC1=O 74408843 ZREIXCZYDHAGRX-UHFFFAOYSA-N 302.355 3.265 0 40 DGAB Cn1nc(CC(C)(C)C)cc1NC(=O)/C=C/c1cscn1 75134436 IHSAJGMOLOODEO-AATRIKPKSA-N 304.419 3.117 0 40 DGAB CCCn1c(CNC[C@H]2CCN(C3CC3)C2)nc2ccccc21 77290904 XWIOTFLMICSURA-OAHLLOKOSA-N 312.461 3.020 0 40 DGAB COCCCNC(=O)[C@@H]1C[C@@H]1c1cc(Cl)cc(Cl)c1 80344947 OHNFSBKFOFLZBW-CHWSQXEVSA-N 302.201 3.250 0 40 DGAB O=C(c1ccncc1F)N1CC[C@H](Oc2cccc(Cl)c2)C1 89763105 KKXCBCLGOBOLLR-ZDUSSCGKSA-N 320.751 3.168 0 40 DGAB O=C(O)CCCCCCNC(=O)c1cc(-c2ccccc2)on1 95350087 PUWYYKGRLATKLH-UHFFFAOYSA-N 316.357 3.107 0 40 DGAB C/C=C/C[S@@](=O)CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1 95417651 JJRXZCJPRGXEQU-HZYWLIIZSA-N 313.850 3.184 0 40 DGAB O[C@H](c1ccc2c(c1)OCO2)c1ccccc1Br 95730094 FDXJBZASIMJWRO-CQSZACIVSA-N 307.143 3.260 0 40 DGAB O=C(Nc1ccc(-c2ccccn2)cn1)c1cccc2cn[nH]c12 95977856 KXDWZAYOOLAQHD-UHFFFAOYSA-N 315.336 3.272 0 40 DGAB CCN(Cc1cccc2c1OCCO2)Cc1scnc1C 95982889 CGPSHDYNULBGMI-UHFFFAOYSA-N 304.415 3.245 0 40 DGAB CNc1nc(-c2cccc(-c3csc(NC)n3)n2)cs1 96026309 IEPUJRKRSONOFS-UHFFFAOYSA-N 303.416 3.412 0 40 DGAB Cn1ncc2c1CN(Cc1ccsc1)C[C@H]2COCC1CC1 96044634 QMOKTHKVNRWQJZ-HNNXBMFYSA-N 317.458 3.008 0 40 DGAB Cc1ccc(Oc2ccc(NC(=O)NCc3ccon3)cn2)cc1 96447139 NPEPNCZVHVJBGE-UHFFFAOYSA-N 324.340 3.492 0 40 DGAB COc1ccc(C)c(NC(=O)NCCC[C@H]2CCCCO2)c1 97138309 YQGZLWFGEQHIQZ-CQSZACIVSA-N 306.406 3.474 0 40 DGAB Cc1cc(C(=O)Nc2ccc3sncc3c2)c2cnn(C)c2n1 97165543 OCFLLNFLBGEPRE-UHFFFAOYSA-N 323.381 3.139 0 40 DGAB Cc1ccccc1OC[C@H](O)CN[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2 103318523 NJPZACOKFGHQHV-ICUGJSFKSA-N 303.446 3.149 0 40 DGAB C[C@@H](N[C@H]1C(=O)N(OCc2ccccc2)C[C@H]1C)c1ccccc1 137535386 IFQSQWPYIZCXFZ-GPMSIDNRSA-N 324.424 3.316 0 40 DGAB Cc1ccccc1OCC(=O)NCCSCc1ccco1 138686154 LSGUXWNHCOOIFN-UHFFFAOYSA-N 305.399 3.016 0 40 DGAB Cc1ccc(-n2ccc(Br)c(C=O)c2=O)c(C)c1 145167363 FBHHUXMSYCNUCN-UHFFFAOYSA-N 306.159 3.029 0 40 DGAB CSC1C[C@@H]2CC[C@H](C1)N2C(=O)c1ccc(NC(C)=O)cc1 206760661 FUVSPMPRSLKGEO-XYPWUTKMSA-N 318.442 3.144 0 40 DGAB COc1ccc(C(=O)Nc2cc(-c3cccc(F)c3)[nH]n2)cc1 223088895 SGJTUVRAODVENS-UHFFFAOYSA-N 311.316 3.477 0 40 DGAB O=C(NC[C@@H](O)c1csc2ccccc12)[C@H]1CC=CCC1 225694056 IHJAVHBAWUJJFD-SWLSCSKDSA-N 301.411 3.407 0 40 DGAB CCc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2n1C 225897076 CFNCKNBUOBOXHB-UHFFFAOYSA-N 307.397 3.408 0 40 DGAB Cc1ccccc1Cc1nnc(SCc2ccccc2)n1N 226299294 VQCXFGZDUSNUHJ-UHFFFAOYSA-N 310.426 3.183 0 40 DGAB Cc1ncc2c(n1)CCC[C@@H]2NC(=O)[C@H]1C[C@H]1c1ccccc1 252505288 JPKBMSVGCFXTJN-MPGHIAIKSA-N 307.397 3.082 0 40 DGAB Cc1c[nH]c([C@H]2CCCN(C(=O)CCc3cccs3)C2)n1 257208055 BKMKWPGORRQQOZ-ZDUSSCGKSA-N 303.431 3.118 0 40 DGAB Cc1c[nH]c([C@@H]2COCCN2Cc2cccc3ccccc23)n1 257240309 HSYYVQXORMXFBK-SFHVURJKSA-N 307.397 3.445 0 40 DGAB CCCCOCc1c(I)cnn1CCC 408717067 VMENTNSVJPWUEE-UHFFFAOYSA-N 322.190 3.214 0 40 DGAB CC(C)[C@H](CNC(=O)c1c[nH]c2ncccc12)c1cccnc1 530720297 XBWVLZQANXFJPM-HNNXBMFYSA-N 308.385 3.128 0 40 DGAB CC[C@@H]1CCN(C(=O)Nc2c(C(F)(F)F)nn(C)c2Cl)C1 585135732 YVLZICLBZXBPGH-SSDOTTSWSA-N 324.734 3.356 0 40 DGAB O=C(NC1CCCC1)N1CCC(c2ccc3cccnc3n2)CC1 654344028 WIABPQPGFAAAPE-UHFFFAOYSA-N 324.428 3.461 0 40 DGAB CCOC(=O)[C@@H](C)Oc1cc2oc(=O)cc(C)c2cc1Cl 278238 SZBVGKAYHZAVNH-SECBINFHSA-N 310.733 3.085 0 40 DGAB O=c1c2sc3ccccc3c2[nH]c(=S)n1C[C@@H]1CCCO1 424657 GTFBDWRKSJDMCE-VIFPVBQESA-N 318.423 3.453 0 40 DGAB COc1ccc2c(c1)[nH]c1c(=O)n(CCc3ccccc3)cnc12 489203 POKVFSBQUTYLPR-UHFFFAOYSA-N 319.364 3.129 0 40 DGAB biogenic COC(=O)[C@]1(Cc2ccc(C)cc2)Cc2c(C)cccc2C1=O 1646118 ARTIHSBJXAJKOT-HXUWFJFHSA-N 308.377 3.444 0 40 DGAB CSc1nnc(CCCCCNC(=O)OC(C)(C)C)o1 2264018 XQDQSBXRTFSURD-UHFFFAOYSA-N 301.412 3.029 0 40 DGAB O[C@H](CNCc1ccccc1Cl)COc1ccc(F)cc1 3265494 QZZDYSMUPQAWBP-CQSZACIVSA-N 309.768 3.009 0 40 DGAB CCc1ccc(C(=O)OCC(=O)N2CCCc3ccccc32)cc1 3285989 YQIARUIABWZVST-UHFFFAOYSA-N 323.392 3.385 0 40 DGAB COc1ccc(C(C)(C)C)cc1NC(=O)COC(=O)[C@@H]1C[C@@H]1C 3339099 SSPSTUUJDAJLID-WCQYABFASA-N 319.401 3.130 0 40 DGAB Cc1ccc(NC(=O)COC(=O)c2cccc(C)c2O)c(C)c1 3457996 GRNFVQQJASZNHS-UHFFFAOYSA-N 313.353 3.113 0 40 DGAB CCc1ccc(C(=O)COC(=O)c2ccc3c(c2)OCO3)cc1 3563427 HVRCQEFERUUPRL-UHFFFAOYSA-N 312.321 3.017 0 40 DGAB Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCCc1ccccc1 4163590 ZIGYJRYYEWWDHY-UHFFFAOYSA-N 320.392 3.408 0 40 DGAB Cc1ccccc1C[C@@H]1C[C@@H](C(=O)O)N(C(=O)OC(C)(C)C)C1 4241371 JRUUPMRYVHHJQL-HIFRSBDPSA-N 319.401 3.248 0 40 DGAB CC(=C/C(=O)O)/C=C/c1ccc(I)cc1 4772763 UHNBRYDJWLCHLB-BVCYWKNDSA-N 314.122 3.335 0 40 DGAB CCOc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1 5389015 ROHBSYBCLZCDBW-UHFFFAOYSA-N 324.355 3.496 0 40 DGAB O=C(CN1C2=[N+](CCS2)C[C@@H]1c1ccccc1)c1ccccc1 6116484 OLQCVOAQCJAAMJ-QGZVFWFLSA-N 323.441 3.042 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)c1C 6422836 CTLZXMRCCPUUOE-JLJPHGGASA-N 317.429 3.401 0 40 DGAB CCOC(=O)CSc1nnc(Nc2cccc(C)c2)s1 6821474 OSBJGVVDEHIXDO-UHFFFAOYSA-N 309.416 3.245 0 40 DGAB O=S(=O)(Nc1ccc(OC(F)F)cc1)c1ccccc1F 7409093 DVTFPMCDOYTFPG-UHFFFAOYSA-N 317.288 3.228 0 40 DGAB C[C@H](NS(=O)(=O)c1ccc(C(F)(F)F)cc1)c1ccco1 7703748 KDZAFQJXAUWYQO-VIFPVBQESA-N 319.304 3.338 0 40 DGAB COc1ccccc1O[C@@H](C)C(=O)Nc1ccc(F)c(F)c1 8041125 DKCRYABSBCXGKZ-JTQLQIEISA-N 307.296 3.379 0 40 DGAB Cc1noc(C)c1C(=O)NCCSc1ccc(Cl)cc1 8774705 YZOASQCZGOOFHJ-UHFFFAOYSA-N 310.806 3.467 0 40 DGAB CC(=O)Nc1cccc(C(=O)O[C@@H](C)C(=O)c2ccccc2)c1 9449459 FNEUPONHDSZEFA-LBPRGKRZSA-N 311.337 3.073 0 40 DGAB CCOc1ccccc1O[C@@H](C)C(=O)NCc1ccc(F)cc1 9722689 NMUMWPOQEKXGLY-ZDUSSCGKSA-N 317.360 3.308 0 40 DGAB C[C@H](C(=O)NC1CCCCCC1)N1CCc2sccc2C1 10106952 BWYCCDAXBCUHEF-CYBMUJFWSA-N 306.475 3.334 0 40 DGAB Cc1cccc(NC(=O)C(=O)Nc2nc3ccccc3s2)c1 10325948 XAXJQEYURLBKQO-UHFFFAOYSA-N 311.366 3.182 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]nnc2c1)c1ccc2c(c1)CCCC2 12579674 MAFORVRRBXIODJ-GFCCVEGCSA-N 320.396 3.328 0 40 DGAB O=C(COc1ccc(Br)cc1)NC(C1CC1)C1CC1 12921398 WOKHCJKERZTKQM-UHFFFAOYSA-N 324.218 3.133 0 40 DGAB COc1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1C 12995106 DJNYERUNWAWMSA-UHFFFAOYSA-N 324.380 3.148 0 40 DGAB C[C@H]1CN(CC(=O)Nc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1 13121610 UWVRKKXBBZGDRZ-OKILXGFUSA-N 304.434 3.032 0 40 DGAB O=C1[C@H]2CCCC[C@H]2C(=O)N1c1ccc(Cc2ccncc2)cc1 13960184 DQKFCFUIHHIXHX-HDICACEKSA-N 320.392 3.352 0 40 DGAB Cc1nnc(S[C@@H](C)C(=O)NC(C)C)n1C1CCCCC1 14129006 BATVNMARGCHDNC-NSHDSACASA-N 310.467 3.097 0 40 DGAB Cc1ccc(C)c(C(=O)Nc2ccc(C(=O)NC3CC3)cc2)c1 15554661 OHYKTFNZPSUNKQ-UHFFFAOYSA-N 308.381 3.448 0 40 DGAB Cc1cc(C(=O)N[C@H](CC(C)C)c2nc3ccccc3[nH]2)no1 16967460 BFFVCRUBBGVXJJ-CQSZACIVSA-N 312.373 3.377 0 40 DGAB c1cnc(-c2nnc([C@@H]3CCCN3CC3CCCCC3)o2)cn1 19403871 XXBAKYDBKFBRMJ-HNNXBMFYSA-N 313.405 3.244 0 40 DGAB C[C@@H](C1CC1)n1nccc1NC(=O)COc1ccc(F)cc1 21149210 CDNYPPNFLIQYRT-NSHDSACASA-N 303.337 3.011 0 40 DGAB CCCOc1ccccc1OC(=O)c1cnn(-c2ccccc2)n1 23224394 KFXHHJHPPWGKJQ-UHFFFAOYSA-N 323.352 3.275 0 40 DGAB O=C(Nc1cnn(Cc2ccc(Cl)cc2)c1)c1ccncc1 28220339 JYFUPNUSSJMSTH-UHFFFAOYSA-N 312.760 3.232 0 40 DGAB CCn1cc(Cl)c(C(=O)N[C@@H](C)c2ccc(OC)cc2)n1 28239140 UMHVBVRSQXYWGS-JTQLQIEISA-N 307.781 3.056 0 40 DGAB C[C@@H](NC(=O)CCc1nc(C(C)(C)C)no1)c1cccs1 31203329 IROLNYCUJDZDLA-SNVBAGLBSA-N 307.419 3.239 0 40 DGAB C[C@@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccco1 32768862 LRYNUCUYLMZNES-SNVBAGLBSA-N 317.370 3.201 0 40 DGAB O=C(Nc1cccc(Cl)c1)[C@H]1CC(c2ccccc2)=NO1 32922729 AZZGNFSAZAAYKU-OAHLLOKOSA-N 300.745 3.472 0 40 DGAB O=C1S/C(=C\c2ccccc2)C(=O)N1CN1CCCCC1 33392114 JJJVVECCJQYOGA-KAMYIIQDSA-N 302.399 3.166 0 40 DGAB O=C(NC(C1CC1)C1CC1)c1cc(-c2cccc(F)c2)no1 40088123 JGFFJTYWSNREKH-UHFFFAOYSA-N 300.333 3.399 0 40 DGAB COc1ccc(C(=O)NC(C)(C)Cc2ccccc2)cc1OC 40621010 YIISUMRROAOYPV-UHFFFAOYSA-N 313.397 3.455 0 40 DGAB O=C(NCCC1CCCCC1)C(=O)Nc1ccccc1Cl 41852914 MILKDWZXJRAPIU-UHFFFAOYSA-N 308.809 3.365 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2cccc(F)c2)c(OC)c1 47531130 HDFGHXPRKAKUAG-LBPRGKRZSA-N 317.360 3.263 0 40 DGAB CCN(C[C@@H]1CCOC1)C(=O)c1nc(-c2ccco2)sc1C 48262874 XPEWFEZKKUUWLV-LBPRGKRZSA-N 320.414 3.210 0 40 DGAB CC[C@@H](C)NC(=O)CCc1ncc(-c2ccc(OC)cc2)o1 63887647 WYTRFCYNMMSMEH-GFCCVEGCSA-N 302.374 3.198 0 40 DGAB Cc1cc(CNC(=O)c2cc(-c3cccc(Cl)c3)no2)no1 69419877 AKHXPFBAJJBKPH-UHFFFAOYSA-N 317.732 3.221 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)c2ccc3[nH]cnc3c2)cc1 69440370 JDACMZQEMDHQBM-CYBMUJFWSA-N 323.396 3.275 0 40 DGAB O=C(CCn1c(=O)oc2ccccc21)Nc1cccc2[nH]ccc12 69742873 FENTTYOYBOMMTG-UHFFFAOYSA-N 321.336 3.105 0 40 DGAB CNc1cc(C)c(C(=O)CCCCNC(=O)OC(C)(C)C)cn1 72219080 OECCDVGKDYCBNU-UHFFFAOYSA-N 321.421 3.309 0 40 DGAB CCc1ccc([C@H]2[C@@H](N)C(=O)N2c2ccc(Cl)cc2)cc1 72227989 BNBGCMKLKWBJOL-CVEARBPZSA-N 300.789 3.318 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2Cc2nc3ccccc3n2C)c1 72253316 XVTODKXCSBDLFW-INIZCTEOSA-N 323.444 3.133 0 40 DGAB Cc1csc([C@@H]2CCCCN2C(=O)[C@H](C)OCC2CC2)n1 72273881 KZQXXEQCTRMUIM-JSGCOSHPSA-N 308.447 3.320 0 40 DGAB C[C@@H]1CN2CCC[C@@H]2CN1Cc1ccc(Br)s1 72324661 DHYMOBDSLLFTKQ-GHMZBOCLSA-N 315.280 3.179 0 40 DGAB CC(C)c1nc(C(=O)Nc2cccc(-c3nc[nH]n3)c2)cs1 74143040 LDNCPOGZKAVJIN-UHFFFAOYSA-N 313.386 3.304 0 40 DGAB Cc1nnc(COC(=O)c2cccc(N[C@@H](C)C(C)C)c2C)o1 75146627 VLMWJADCGGYZSS-LBPRGKRZSA-N 317.389 3.500 0 40 DGAB O=C(NCC[C@H](O)C1CC1)C1(c2ccc(Cl)cc2)CCCC1 77107804 WDGXGJHOICWCJA-INIZCTEOSA-N 321.848 3.429 0 40 DGAB CCCO[C@@H]1CCCN(C(=O)COc2ccccc2F)CC1 78671214 YVSSYBFALQFCFU-CQSZACIVSA-N 309.381 3.012 0 40 DGAB Cc1ncc(C(=O)NCC2(N3CCCCC3)CCCCC2)s1 78718646 VGGKARLMAIBWIT-UHFFFAOYSA-N 321.490 3.370 0 40 DGAB Cc1nc(-c2ccsc2)ccc1C(=O)Nc1nncs1 78729451 GJTIPAZNNAHCBT-UHFFFAOYSA-N 302.384 3.222 0 40 DGAB CCCC(O)(CCC)CC(=O)NCCc1ccc(OC)cc1 79092760 ZVFIFEDXFGYTSH-UHFFFAOYSA-N 307.434 3.075 0 40 DGAB O[C@@H](CSc1nnnn1C1CCCC1)c1ccccc1Cl 79814545 MXPLEVAGMFJMOW-ZDUSSCGKSA-N 324.837 3.267 0 40 DGAB C[S@](=O)c1ccc(NC(=O)[C@H]2CSc3ccccc32)cc1 80522314 GBEALOAOGXUJRJ-LHSJRXKWSA-N 317.435 3.252 0 40 DGAB CCn1c([C@H]2CCCN2Cc2nnc(C)o2)nc2ccccc21 84131945 ZDQWVRJMHOTKIF-OAHLLOKOSA-N 311.389 3.085 0 40 DGAB CC(C)(C)OC(=O)NC[C@@H]1CCCC[C@@H]1NCC1=CCCOC1 89662587 MBCLZKVYUYOARF-HOTGVXAUSA-N 324.465 3.006 0 40 DGAB CN(C(N)=O)c1ccc(OCc2ncc(C(C)(C)C)o2)cc1 89725203 QIRXFSYXCAJMQP-UHFFFAOYSA-N 303.362 3.066 0 40 DGAB CC(C)Nc1cccc(C(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c1 89887726 RMUFLXUWWLQHJY-VQIMIIECSA-N 316.445 3.274 0 40 DGAB CCOc1cc(C)ccc1NC(=O)c1ncn(-c2ccccc2)n1 92219988 KQEMMRZONCKNDM-UHFFFAOYSA-N 322.368 3.227 0 40 DGAB O=C1CN(C2CCCC2)C(=O)N1CCCCOc1ccccc1 95401159 UNAYGFGGIBBKGT-UHFFFAOYSA-N 316.401 3.052 0 40 DGAB COC(=O)c1ccc(CN2CCC(C(F)(F)F)CC2)s1 95411648 PRLILEWUUOJHMR-UHFFFAOYSA-N 307.337 3.309 0 40 DGAB Cc1cc(C)c(C(=O)N[C@@H](CC(=O)O)c2ccccc2Cl)o1 95424077 MTEABMDVZKUOED-ZDUSSCGKSA-N 321.760 3.496 0 40 DGAB O=C(N[C@H](CCO)c1cccs1)c1coc2ccccc12 95445784 NYNYLOVXOKPDFF-CYBMUJFWSA-N 301.367 3.348 0 40 DGAB Cn1ccc2c(NC(=O)c3csc(NC4CC4)n3)cccc21 95480805 KEZWGLPHKDWQDQ-UHFFFAOYSA-N 312.398 3.461 0 40 DGAB Cc1noc(C)c1C(=O)N1CCC[C@@H](c2nc3ccccc3[nH]2)C1 95947286 CRFFYGYKSJGQAM-CYBMUJFWSA-N 324.384 3.188 0 40 DGAB Cc1ccc(SCCNC(=O)N(C)C[C@@H]2CCOC2)cc1C 95963991 BCOGWSANPXSFIC-HNNXBMFYSA-N 322.474 3.073 0 40 DGAB CC(C)n1nnnc1CN[C@H](C)c1ccccc1C(F)(F)F 95985443 UCRKRTDCZUDJCC-SNVBAGLBSA-N 313.327 3.124 0 40 DGAB Fc1ccc(N2CC[C@H](NCc3cscn3)C2)cc1Cl 95994171 ILCYTGYXIUDBKY-JTQLQIEISA-N 311.813 3.304 0 40 DGAB O=S(=O)(NC1CCCCCC1)c1ccc(OC(F)F)cc1 96319376 BTUAZUDEFMNPOG-UHFFFAOYSA-N 319.373 3.289 0 40 DGAB O=C(CCC1CCCCC1)N[C@@H](O)C(Cl)(Cl)Cl 96346691 UGYFKBKGRXSYAV-JTQLQIEISA-N 302.629 3.152 0 40 DGAB c1ccc(OC[C@@H]2CCCN(Cc3nnc(C4CC4)o3)C2)cc1 96411357 FQXFUWXGPZZIFL-CQSZACIVSA-N 313.401 3.238 0 40 DGAB CCc1cnc(CNC(=O)Nc2ccc3c(c2)CCCO3)s1 96434470 PXYPDEKJIHJWKV-UHFFFAOYSA-N 317.414 3.352 0 40 DGAB Cc1ccc(Cc2nc(-c3ccc(Br)o3)no2)cn1 96448201 JPOWHSOXXGJVRN-UHFFFAOYSA-N 320.146 3.386 0 40 DGAB COc1cc(CCNC(=O)c2cc(C(C)=O)cs2)ccc1F 96492152 AFFMTCGMCPJKHJ-UHFFFAOYSA-N 321.373 3.071 0 40 DGAB Cc1cnc(C(C)(C)NC(=O)N[C@@H](C)c2cccnc2)s1 97012524 NKDYRVIDWHAWQP-NSHDSACASA-N 304.419 3.142 0 40 DGAB O=C(O)CCc1ccc(NC(=O)Cc2ccccc2F)cc1 97018939 XQCVRKYNADWWFH-UHFFFAOYSA-N 301.317 3.024 0 40 DGAB Cn1nccc1C(=O)N(Cc1ccc(O)cc1)C1CCCCC1 97046269 ZFOFRKJQJCEUSJ-UHFFFAOYSA-N 313.401 3.101 0 40 DGAB CCn1nccc1CN1CCC(OCc2ccc(F)cc2)CC1 97235576 AZFSXSDOELQUIY-UHFFFAOYSA-N 317.408 3.223 0 40 DGAB C[C@H]1C[C@H](C(=O)Nc2cc(C(=O)N(C)C)ccn2)CC(C)(C)C1 97236248 GBPVYKCZBUGZMB-JSGCOSHPSA-N 317.433 3.184 0 40 DGAB O=C(NCCSc1ccccc1)N[C@H]1CCO[C@H](C2CC2)C1 97378890 BNABOZKYFWRCHK-HOCLYGCPSA-N 320.458 3.036 0 40 DGAB Cc1ccc(CN2CCC3(CC2)CC(NC(=O)N(C)C)C3)cc1 108534302 NCTDQMXGQZKBRY-UHFFFAOYSA-N 315.461 3.011 0 40 DGAB COc1cccc2c1O[C@@]13CCCC[C@@H]1[C@H]2/C(=C(\C)O)C(=O)N3 110008901 WLDMZPDBLINPTD-AYOVQKHWSA-N 315.369 3.020 0 40 DGAB O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NCc1cccc(Cn2ccnc2)c1 110567955 PMSDPHBJMIRGKE-SNRMKQJTSA-N 323.440 3.374 0 40 DGAB CCCCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCC 223559677 GJEYFYYOHRVBNI-INIZCTEOSA-N 318.461 3.163 0 40 DGAB Cc1ccccc1O[C@@H](C)C(=O)NCCOc1ccc(F)cc1 224415234 UNHULPJMBFMAPJ-AWEZNQCLSA-N 317.360 3.097 0 40 DGAB O=C(c1ccc(C(F)(F)F)cc1)N1CC(Oc2cccnc2)C1 238881371 PIMHKWODLVYIQL-UHFFFAOYSA-N 322.286 3.004 0 40 DGAB Cc1cnc(N2CC[C@H]3OCCC[C@H]3C2)c(Br)c1 248667065 PBPWLPRCTUBDEE-WCQYABFASA-N 311.223 3.158 0 40 DGAB C[C@H](NC(=O)N1CCSCC[C@H]1C)[C@H]1COc2ccccc21 252572448 ZIZRYZUAKOENEV-VNHYZAJKSA-N 320.458 3.088 0 40 DGAB COC(=O)c1cc2c(cc1O)[C@@H]1O[C@H](C)CC[C@H]1C(C)(C)O2 257208488 BMJPUNQNNNHIOA-BCQZVRRWSA-N 306.358 3.206 0 40 DGAB O=C(O)c1conc1[C@H](O[C@H]1CCCCO1)c1ccc(F)cc1 504206474 VAKCHQZZVIWYSP-DZGCQCFKSA-N 321.304 3.145 0 40 DGAB OC[C@]12CCCC[C@H]1CN(c1nc3ccc(F)cc3s1)C2 1888869992 IEKRUKFMBUPNEF-MEDUHNTESA-N 306.406 3.424 0 40 DGAB Cc1ccc(C(=O)c2ccc(CC(=O)N3CCCCC3)n2C)cc1 2087055230 BNCKLLYIOTVANA-UHFFFAOYSA-N 324.424 3.120 0 40 DGAB CSc1nc(-c2ccc(Br)cc2)nn1C(C)=O 268709 WSOWAKVBCYGPDA-UHFFFAOYSA-N 312.192 3.090 0 40 DGAB CO[C@]1(C)C[C@@H](NC(=O)N[C@@H](C)c2csc(C)n2)C1(C)C 78952805 GJIRENQVZVDPCH-TURKWSHLSA-N 311.451 3.015 0 40 DGAB CC(C)CCO[C@H](C)C(=O)NC[C@@H]1C[C@@]12CCc1ccccc12 79070050 CEKWMAOGRCXLKS-SYNHAJSKSA-N 315.457 3.458 0 40 DGAB Cc1cn2c(CC(=O)Nc3ccc(C)c(F)c3)csc2n1 25050515 LYSNEYVHTLUTTJ-UHFFFAOYSA-N 303.362 3.333 0 40 DGAB Nc1cc(Cl)ccc1C(=O)OCC(=O)c1ccc(F)cc1 2633179 AQGCGQPEYKWUNB-UHFFFAOYSA-N 307.708 3.101 0 40 DGAB COc1ccc(C(=O)N[C@@H](Cc2ncc[nH]2)c2ccccc2)cc1 12531624 PYHDNELYBWIORW-KRWDZBQOSA-N 321.380 3.132 0 40 DGAB CCCCC(=O)Nc1nn2c(-c3cccc(C)c3)nnc2s1 6818185 ZCNBIRXRDIFSFP-UHFFFAOYSA-N 315.402 3.290 0 40 DGAB C[C@@]1(CCCO)CCCN1CCCc1nc2ccccc2o1 95454749 AWIOUDUAJVVFAP-SFHVURJKSA-N 302.418 3.387 0 40 DGAB Cc1ccc(NC(=O)Cc2ccc(Br)cc2)nc1 12526635 UWYKSDOFYZZMAT-UHFFFAOYSA-N 305.175 3.334 0 40 DGAB CNCCCNCc1ccc(-c2ccc(Br)cc2)o1 8377141 QWSKDHPGQOIOLD-UHFFFAOYSA-N 323.234 3.408 0 40 DGAB Cc1ccc2nc(S[C@@H](C)C(=O)N3CCCCC3)[nH]c2c1 12546398 FEGPRABTGMVBOF-LBPRGKRZSA-N 303.431 3.364 0 40 DGAB C[C@@H](NC(=O)c1ccc(N2CCOC2=O)cc1)c1ccccc1 58230999 GWVNXIVTXQIWKL-CYBMUJFWSA-N 310.353 3.134 0 40 DGAB COc1ccc(N(C)C(=O)CSc2ccc(C)cc2)cn1 58218670 NLZWUXOQDLXTFJ-UHFFFAOYSA-N 302.399 3.154 0 40 DGAB C[C@@H](Nc1ccc2[nH]ccc2c1)C(=O)NCCc1ccccc1 95427779 RSFBQGWDYAWXNY-CQSZACIVSA-N 307.397 3.327 0 40 DGAB C[C@@H](C(=O)Nc1ccc(F)cc1)N1CCc2sccc2C1 10764263 VIBPLBRYWVCZGY-NSHDSACASA-N 304.390 3.273 0 40 DGAB CN(CC(C)(C)O)C(=O)Nc1ccc(Cl)c(OC(F)F)c1 96003128 PXKDHQYULWYJRC-UHFFFAOYSA-N 322.739 3.176 0 40 DGAB CO[C@@]1(C)C[C@H](NC2CCN(CCC(F)(F)F)CC2)C1(C)C 96003179 RNYRMBAMRMJLRG-ZFWWWQNUSA-N 322.415 3.196 0 40 DGAB O=C(CCc1nc2ccccc2[nH]1)Nc1ccc2cn[nH]c2c1 29372140 YZLVQZMHQNYUIU-UHFFFAOYSA-N 305.341 3.011 0 40 DGAB Cc1ccc(C)c(N[C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)c1 101276586 MLAREOQAQHPNDM-MRXNPFEDSA-N 312.344 3.187 0 40 DGAB CC1=C(C)C[C@H]2C(=O)N(CCOc3ccccc3C)C(=O)[C@@H]2C1 105865418 UYWREAZGQLMMCC-HZPDHXFCSA-N 313.397 3.105 0 40 DGAB Cn1nc(C(F)(F)F)cc1C(=O)NC1CCCCCCC1 2761245 GZCNOLAWVUTLGC-UHFFFAOYSA-N 303.328 3.282 0 40 DGAB CC(=O)c1ccc(C)cc1OCC(=O)N[C@@H]1CCCC[C@@H]1C 12682613 MHOSFFQMKRGNRB-XJKSGUPXSA-N 303.402 3.271 0 40 DGAB Cc1[nH]ccc1C(=O)NC[C@@H]1CCCC[C@@H]1OCC(F)(F)F 95408586 WPOWWPMCYKUAEK-AAEUAGOBSA-N 318.339 3.191 0 40 DGAB O=C(NCc1ccccc1F)c1ccc(NC(=O)C2CC2)s1 12760848 JALCJPFDRZNWHV-UHFFFAOYSA-N 318.373 3.166 0 40 DGAB CCCCCc1nnc(NC(=O)c2n[nH]c3ccccc23)s1 12750876 ZYQUCCLLRVCBPS-UHFFFAOYSA-N 315.402 3.399 0 40 DGAB CSc1cccc(NS(=O)(=O)c2ccc(C(C)=O)cc2)c1 3323017 NQKDKAMFYZQDNN-UHFFFAOYSA-N 321.423 3.412 0 40 DGAB Cc1ccc(NC(=O)CCCNC(=O)c2cccs2)cc1 12888441 NUPQBTQBFGDOFG-UHFFFAOYSA-N 302.399 3.205 0 40 DGAB CCn1cnnc1-c1cccc(NC(=O)c2ccc(OC)cc2)c1 24582238 SHITULNAEBYLKE-UHFFFAOYSA-N 322.368 3.226 0 40 DGAB O=C([C@@H]1CC(c2ccc(Cl)s2)=NO1)N1CCCCCC1 48666466 IKYCVKJMNVOJNJ-NSHDSACASA-N 312.822 3.297 0 40 DGAB Cc1ccc(-n2cnnc2S[C@@H]2C[C@@H](C)OC2=O)cc1Cl 9365671 WTBIVZMEUICLPP-BXKDBHETSA-N 323.805 3.025 0 40 DGAB c1ccc(-c2nnc3sc(-c4cc5ccccc5[nH]4)nn23)nc1 13688304 JNDHRJHBLNZAJQ-UHFFFAOYSA-N 318.365 3.396 0 40 DGAB Cc1cccc2cc(-c3nc(-c4ccncc4)no3)c(=O)oc12 9431228 NOECVZRQNCRDGC-UHFFFAOYSA-N 305.293 3.213 0 40 DGAB C[C@@H]1CCCN(C(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 65491985 FMPJPBGQYXJZRN-IUODEOHRSA-N 318.442 3.138 0 40 DGAB CC(=O)Nc1cccc(C(=O)Nc2ccc(F)c(F)c2F)c1 14016859 ZLEUXGFVQNINOZ-UHFFFAOYSA-N 308.259 3.315 0 40 DGAB Cc1cc(C)n(Cc2ccc(C(=O)Nc3cccnc3)cc2)n1 65621054 OCOASOVCUWNEBL-UHFFFAOYSA-N 306.369 3.196 0 40 DGAB Cc1cc(CSc2ncccc2C(=O)N[C@H](C)C2CC2)no1 9576988 HDUBFRVQMGYKIY-LLVKDONJSA-N 317.414 3.199 0 40 DGAB CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1Cc1ccc(Cl)s1 71880528 BXQRPXPJNARZBR-UONOGXRCSA-N 312.866 3.377 0 40 DGAB CC(=O)c1ccc(OCC(=O)NC2CCCCCCC2)cc1 14737782 FEJHWHLWUYJLPP-UHFFFAOYSA-N 303.402 3.497 0 40 DGAB CC1(C)COCCN1C(=O)c1cnc(-c2cccs2)s1 66332294 WNIDRJIMKBJEAF-UHFFFAOYSA-N 308.428 3.123 0 40 DGAB COCc1ccccc1C(=O)N(C)[C@@H]1CCc2ccccc2C1 71907533 QJZGHIOJWSBWCU-GOSISDBHSA-N 309.409 3.463 0 40 DGAB CC[C@H](NCc1ccc(CS(C)(=O)=O)cc1)c1ccccc1 71902533 VKLLJXYBEDFSJL-SFHVURJKSA-N 317.454 3.472 0 40 DGAB COc1ccc(OCCNC(=O)c2ccc(Cl)s2)cc1 7815409 JHLRJPOQAGGPQC-UHFFFAOYSA-N 311.790 3.219 0 40 DGAB COc1cccc(C[S@](=O)Cc2cn3cccc(C)c3n2)c1 83944721 FJXOYUPGSXLVCO-JOCHJYFZSA-N 314.410 3.100 0 40 DGAB CCOc1ccccc1[C@H](CC(C)C)NC(=O)C1CCNCC1 95971169 PYBAOTIJSHECTA-KRWDZBQOSA-N 318.461 3.288 0 40 DGAB COc1ccc(NC(=O)N2CCCC[C@@H]2CCN(C)C)cc1 95981267 PIMDOPIDIKHJGB-OAHLLOKOSA-N 305.422 3.033 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@@H]3[C@@H]3CCCN3C)[nH]c2c1 69490165 HXIZDZJKZAOJEA-ZWKOTPCHSA-N 311.429 3.175 0 40 DGAB COc1ccc(C[C@@H](C)N(C)C(=O)c2scnc2C)cc1 69491111 WLQKZZWBOFRZCJ-LLVKDONJSA-N 304.415 3.163 0 40 DGAB COCc1ccc([C@@H]2CCCN2C(=O)N[C@H]2CCCSC2)o1 95944948 WMDMUGFGSIUDAZ-JSGCOSHPSA-N 324.446 3.168 0 40 DGAB NC(=O)c1csc(C(=O)NC2(c3ccccc3)CCCC2)c1 72283329 GPMZYOXRPQDANW-UHFFFAOYSA-N 314.410 3.046 0 40 DGAB Cc1ccccc1N1C[C@H](C(=O)N[C@@H]2CCCC[C@H]2C)CC1=O 408709268 YRMGWGAZBILHLT-FVQBIDKESA-N 314.429 3.043 0 40 DGAB O=C(N[C@H]1CCc2nccn2C1)c1cc2cc(Cl)ccc2o1 97197515 OQJFAODEVDZMCK-LBPRGKRZSA-N 315.760 3.028 0 40 DGAB Cn1c(S[C@@H]2CCC(=O)C2)nnc1-c1ccc(Cl)cc1 8986896 QCTSZELABHCRKY-GFCCVEGCSA-N 307.806 3.349 0 40 DGAB O=C(Oc1cccnc1Br)C1(c2ccccc2)CC1 84525092 GJKIBDDPKPJNSY-UHFFFAOYSA-N 318.170 3.481 0 40 DGAB CC(=O)N1CCC[C@H]1C(=O)Nc1ccccc1SC(C)C 89891018 ZCULHJCFABXDEE-AWEZNQCLSA-N 306.431 3.137 0 40 DGAB C[C@@H](c1ncc(C(C)(C)C)o1)N1CCN(c2ccncc2)CC1 89913757 DUXOSCJXOLUFPZ-AWEZNQCLSA-N 314.433 3.250 0 40 DGAB COC(=O)c1ccccc1CN(C)C(=O)Cc1ccc(C)s1 76017957 FXWBEWBSDSXXRF-UHFFFAOYSA-N 317.410 3.044 0 40 DGAB CNc1nc2c(s1)[C@@H](c1cc(OC)ccc1OC)CC(O)=N2 61718410 XGVPKOJTGDYHGF-SNVBAGLBSA-N 319.386 3.326 0 40 DGAB CCO/C(=C\c1c(C)[nH]c2ccccc12)c1nnc(N)s1 408718464 POHYOJYFQSPKCT-JYRVWZFOSA-N 300.387 3.445 0 40 DGAB CCCCN1C(=O)S/C(=C/c2ccc(O)c(OC)c2)C1=O 35042203 NTTZMXXJIGVLQS-UKTHLTGXSA-N 307.371 3.237 0 40 DGAB CS(=O)(=O)N(Cc1ccccc1Cl)c1cccc(F)c1 408627971 SCLQRHQWISZESK-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB OCc1ccccc1NCc1cnn(Cc2ccc(F)cc2)c1 189315016 FSKGIDCWWWZCDM-UHFFFAOYSA-N 311.360 3.175 0 40 DGAB CC(=O)N1CCO[C@@H](c2cccc(Oc3ccc(C)cc3)n2)C1 72387174 KCRKMSDWGSNVIO-QGZVFWFLSA-N 312.369 3.102 0 40 DGAB CC(C)(C)OC(=O)N(c1ccc([C@H]2CCCN2)cn1)C1CC1 72215305 XZHSXXUPIUAWCO-CQSZACIVSA-N 303.406 3.410 0 40 DGAB COc1cccc(/C=C\S(=O)(=O)Cc2ccccc2)c1OC 31772187 OAJWLLCJPXJHNZ-QXMHVHEDSA-N 318.394 3.290 0 40 DGAB Cc1ccc(S(=O)(=O)N2CCC[C@@H]2c2cccc(C)n2)cc1 72211087 CFVYGDSNXOUDFV-QGZVFWFLSA-N 316.426 3.224 0 40 DGAB Cc1ccc(NC(=O)Nc2cnc(N3CCCC3)nc2)cc1F 75161985 GKGUPHXIHZOJTF-UHFFFAOYSA-N 315.352 3.168 0 40 DGAB Cc1nc(C(C)C)sc1C(=O)N1CCN(C2CC2)C[C@H](C)C1 560325582 LEZIRYYCVOIPGE-LBPRGKRZSA-N 321.490 3.131 0 40 DGAB c1ccc(Cc2ccccc2OCCCN2CCOCC2)cc1 35183267 TZYZHPFHWVDDNX-UHFFFAOYSA-N 311.425 3.379 0 40 DGAB CCN(c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(C)c1 30324217 TUCYSROOXXRYCM-UHFFFAOYSA-N 323.389 3.358 0 40 DGAB Clc1cccc(Cl)c1N(C1=NCCN1)[C@H]1CCCCO1 31297751 NYQGJEQCYOJBPV-GFCCVEGCSA-N 314.216 3.286 0 40 DGAB in-man Nc1ccc(Cl)cc1-c1nn2c(C(F)(F)F)nnc2s1 73634279 KDWBEFQOULCSCZ-UHFFFAOYSA-N 319.699 3.107 0 40 DGAB CC(=O)N(C)Cc1cccc(NCc2cccc3cn[nH]c23)c1 84016672 ZCRWEJOENFEYAV-UHFFFAOYSA-N 308.385 3.153 0 40 DGAB COc1ccccc1CCCNC(=S)Nc1ncccc1C 225551749 GHTGYFKRWJDFMN-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB CCOc1ccc(C[C@H](Oc2cccc(OC)c2)C(=O)O)cc1 225107667 BLTWOODGSYYZTQ-KRWDZBQOSA-N 316.353 3.169 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)Nc1ccc(Cl)cc1 225718690 QCXCIVXGTSWMCJ-UHFFFAOYSA-N 312.756 3.294 0 40 DGAB C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccnc1)Sc1ccccc1 81111443 KXHWUTKZIALIFI-XYPHTWIQSA-N 312.438 3.482 0 40 DGAB CCN(CC)c1ccc(N)cc1NC(=O)COc1ccccc1 226260303 HXZHSJQMJFBELP-UHFFFAOYSA-N 313.401 3.133 0 40 DGAB COc1ccc([C@H](C)NC(=S)Nc2cccc(C)n2)cc1 225467142 JBKAQUMTIDHVBC-LBPRGKRZSA-N 301.415 3.446 0 40 DGAB O=C(N[C@H](c1cncc(Br)c1)C1CC1)c1ccoc1 225472182 IXJZTFNZMQQPCN-ZDUSSCGKSA-N 321.174 3.318 0 40 DGAB CCOc1ccc(CCC(=O)N2CCCCC2)cc1OCC 44949117 VSCNPNCDCRXLJP-UHFFFAOYSA-N 305.418 3.429 0 40 DGAB O=C(Cc1cccc(Br)c1)N[C@H]1C[C@@H]2CC[C@@H]1C2 225613220 WFXXKTITUNIKBL-BZPMIXESSA-N 308.219 3.296 0 40 DGAB O=C(CCc1ccccn1)NC[C@H]1SCCc2ccccc21 96454664 RASFGXPLZPUAGB-QGZVFWFLSA-N 312.438 3.161 0 40 DGAB CCCNC(=O)c1cc(-c2ccn(CC3CC3)n2)n2ccccc12 96154724 IHDCYNWGATXVBR-UHFFFAOYSA-N 322.412 3.353 0 40 DGAB CCC[C@H](C)C(=O)N[C@@H](C)c1noc(Cc2ccccc2)n1 96456503 HTQXKTUJZIXGMC-STQMWFEESA-N 301.390 3.274 0 40 DGAB Cc1c(CNC(=O)NCCc2cccnc2)oc2ccccc12 96406809 KVBGZNPCXFOQEF-UHFFFAOYSA-N 309.369 3.178 0 40 DGAB Cc1csc([C@H](C)NC(=O)/C=C/c2ccc(C(=O)O)cc2)n1 96479796 SXXLZBKRMXNPOB-BWNDKRECSA-N 316.382 3.040 0 40 DGAB CC(C)Nc1cccc(F)c1NC(=O)[C@@H](C)OC[C@@H]1CCCO1 585127083 PPZLNPRSHIORFW-OLZOCXBDSA-N 324.396 3.169 0 40 DGAB c1ccc(Nc2cc([C@H]3CCCN3c3ncccn3)ccn2)nc1 257217132 CXOONOCIFQHXEK-OAHLLOKOSA-N 318.384 3.352 0 40 DGAB O=C(c1ccc2ccccc2n1)N1CCC[C@H](c2cnccn2)C1 257241557 HYNNGMIXQZFXPO-HNNXBMFYSA-N 318.380 3.045 0 40 DGAB C[C@H](CNC(=O)N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)Cc1cccs1 252581883 UQSICWPZUVGJER-SPWCGHHHSA-N 322.474 3.039 0 40 DGAB C[C@H]1CNCC[C@@]1(O)Cc1cc(Cl)ccc1Br 379841153 BSHWRFXOUAQTAK-TVQRCGJNSA-N 318.642 3.006 0 40 DGAB O=C(Cc1ccc(F)cc1)NCc1ccc(-c2ccoc2)nc1 390830570 LXFRZESHJOYDRQ-UHFFFAOYSA-N 310.328 3.340 0 40 DGAB C[C@H]1CN(C(=O)c2cccnc2Oc2ccccc2)C[C@H](C)O1 27339582 MRKDCUYFLDYVQM-KBPBESRZSA-N 312.369 3.123 0 40 DGAB COC[C@@H]1CN(Cc2cccs2)CC12CCN(C(C)C)CC2 585103203 NCSRMOVWRPOQTD-INIZCTEOSA-N 322.518 3.317 0 40 DGAB C[C@H](c1cccc(Cl)c1)N(C)CC1CCN(CCO)CC1 69628587 PSKRLXRDQVFGEU-CQSZACIVSA-N 310.869 3.037 0 40 DGAB Cc1cc(C)n([C@H]2CCCN(C(=O)c3ccc(F)c(F)c3)C2)n1 72235663 ZFBOJTKRBNDBJU-AWEZNQCLSA-N 319.355 3.255 0 40 DGAB COCc1nc(C)cc(N(C)Cc2cc(C)c(OC)c(C)c2)n1 75048383 OZDYLMIDUDBGIG-UHFFFAOYSA-N 315.417 3.193 0 40 DGAB CCCOc1ccc(N2C(=O)[C@H]3[C@@H]4C=C[C@H]([C@H]3C2=O)C42CC2)cc1 5099946 JLMLLJGVUDQKAI-WNKDZCFJSA-N 323.392 3.177 0 40 DGAB Cc1cc(C)cc(NC(=O)c2c(O)n(C)c3ccccc3c2=O)c1 5957776 DSRQCPKOIOYTJY-UHFFFAOYSA-N 322.364 3.113 0 40 DGAB O=C(Nc1ccccc1)c1ccc(=O)n(Cc2ccccc2F)c1 15883148 JMSQDWBLHLFXQT-UHFFFAOYSA-N 322.339 3.288 0 40 DGAB Cc1cc(NC(=O)COc2ccccc2)cc2sc(N)nc12 226311868 QRQJIGVLNVPEMX-UHFFFAOYSA-N 313.382 3.204 0 40 DGAB Cc1cc(C(=O)COC(=O)c2ccc(F)cc2Cl)c(C)n1C 4914102 JNRYJVBMNUZLMF-UHFFFAOYSA-N 323.751 3.474 0 40 DGAB O=C(C1CCCCC1)N1CCC(Oc2ncc(Cl)cn2)CC1 1888842680 QELXVUBGFSOZFA-UHFFFAOYSA-N 323.824 3.080 0 40 DGAB O=C(O)C1CCN(C(=O)Nc2ccc(Cl)c(Cl)c2)CC1 5890481 KEYYYXNIDQGYIO-UHFFFAOYSA-N 317.172 3.322 0 40 DGAB CN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 126549 ACBUSPOAUFLRNN-UHFFFAOYSA-N 304.397 3.049 0 40 DGAB O=C(O)[C@H]1[C@@H]2C=C[C@@H]([C@H]3C[C@H]23)[C@@H]1C(=O)Nc1ccc(Cl)cc1 102074710 AZBXIVTWOALLAH-ZYIYBEKCSA-N 317.772 3.047 0 40 DGAB O=C(Nc1nncs1)c1cc2c(s1)-c1ccccc1OC2 21213066 CJUHTKMJAMWDSW-UHFFFAOYSA-N 315.379 3.411 0 40 DGAB Cc1ccc(CNC(=O)[C@H](C)N(C)Cc2ccc(C)cc2)cc1 32797219 RPBRSLXETUQNFE-KRWDZBQOSA-N 310.441 3.440 0 40 DGAB CC1CCN(Cc2csc(NC(=O)c3ccco3)n2)CC1 22291450 CWGWKYHYCHXZNJ-UHFFFAOYSA-N 305.403 3.220 0 40 DGAB Cc1oc(-c2ccccc2)nc1C(=O)N1CCO[C@@H]2CCC[C@H]21 53381063 OCJGDSJYENLRJS-HUUCEWRRSA-N 312.369 3.044 0 40 DGAB O=c1[nH]c2ccccc2n1CCCN1CCCc2ccccc21 23693388 NQVCCQQHYZYIHK-UHFFFAOYSA-N 307.397 3.173 0 40 DGAB CN(C)[C@H](CNC(=O)Nc1nccs1)c1ccccc1Cl 42753420 DRVBTXSLKMSNEK-GFCCVEGCSA-N 324.837 3.221 0 40 DGAB COc1ccc(Cl)cc1NC(=O)CSc1ccccn1 31481 CZFWJMMMMHDSMO-UHFFFAOYSA-N 308.790 3.474 0 40 DGAB COC(=O)COc1ccc(Br)cc1C(C)(C)C 120482 KBBYOBUZXUUBIZ-UHFFFAOYSA-N 301.180 3.298 0 40 DGAB COC(=O)c1ccc(NC(=S)Nc2ccc(OC)cc2)cc1 136349 JGTINQBVZJKWDF-UHFFFAOYSA-N 316.382 3.291 0 40 DGAB CN1CCN(C(=O)c2ccccc2Sc2ccccc2)CC1 347468 NPCOWJFJUSKVMY-UHFFFAOYSA-N 312.438 3.225 0 40 DGAB COc1ccc2c(c1OC)C(=O)O[C@H]2Nc1ccc(F)c(F)c1 504218 PGNBUVQDYISHMF-OAHLLOKOSA-N 321.279 3.263 0 40 DGAB CC(C)CCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1 507656 BKEXFKSRLHKXKM-MRXNPFEDSA-N 321.417 3.341 0 40 DGAB O=C(Nc1nccs1)C(O)(c1ccccc1)c1ccccc1 542009 RQKAOILZAVYFKT-UHFFFAOYSA-N 310.378 3.018 0 40 DGAB CC(C)C(=O)c1cn(CC(=O)N2CCCCC2)c2ccccc12 560759 GJBXXGFQRRSJOP-UHFFFAOYSA-N 312.413 3.493 0 40 DGAB CC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1 1325008 ZHVHMHTYCYKJFK-UHFFFAOYSA-N 315.394 3.031 0 40 DGAB CCOC(=O)c1csc(NC(=O)Nc2cccc(C)c2)n1 1509619 FBIPCFCMKIYQJC-UHFFFAOYSA-N 305.359 3.272 0 40 DGAB CCc1nnc(NC(=O)CCCOc2cccc(C)c2)s1 1773786 WDNMFCZUSXGIEW-UHFFFAOYSA-N 305.403 3.207 0 40 DGAB CC(C)OCCCn1cnc2c([nH]c3ccc(Cl)cc32)c1=O 2313343 XSDAWEOTWNAHKA-UHFFFAOYSA-N 319.792 3.346 0 40 DGAB CN(Cc1ccccc1)Cn1c(=O)oc2ccc(Cl)cc21 3090202 MXLGRRCXEGWFFP-UHFFFAOYSA-N 302.761 3.337 0 40 DGAB Cc1cc(C)c(C(=O)Cn2nnc(-c3ccccc3)n2)cc1C 3314892 AFJUWBKATSVTET-UHFFFAOYSA-N 306.369 3.148 0 40 DGAB COc1ccc(NC(C)=O)cc1NC(=O)c1ccccc1F 3503963 QKGQTQRSGKOVKO-UHFFFAOYSA-N 302.305 3.045 0 40 DGAB CNC(=O)c1ccc2nc(NC(=O)C3CCCCC3)sc2c1 4186405 ULNGREFOUGFJMB-UHFFFAOYSA-N 317.414 3.175 0 40 DGAB Cc1ccc(OCCCN2C(=O)C(=O)c3cccc(C)c32)cc1 4501772 YFEUUMBLQHUPTG-UHFFFAOYSA-N 309.365 3.302 0 40 DGAB Cc1cccc(OCc2nnc3sc(-c4cccnc4)nn23)c1 5032341 KHVQCYRLXBQILS-UHFFFAOYSA-N 323.381 3.135 0 40 DGAB CSc1cccc(-c2nnc(NC(=O)c3ccco3)o2)c1 5240258 SIJCDPITANYSDM-UHFFFAOYSA-N 301.327 3.304 0 40 DGAB CCOc1ccc(CN(C)C(=O)c2cn3ccccc3n2)cc1 5266475 XDXXGIHOELGTFO-UHFFFAOYSA-N 309.369 3.005 0 40 DGAB CC(C)c1ccc(S(=O)(=O)NCc2ccc(F)cc2)cc1 5522957 YOFVGVHHKYAOLL-UHFFFAOYSA-N 307.390 3.428 0 40 DGAB CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(F)cc1 5555979 YEXCXCFJWWOWKX-MRXNPFEDSA-N 323.323 3.497 0 40 DGAB CCSc1nc2cc(Cl)ccc2c(=O)n1C[C@H]1CCCO1 5571408 ILXZRPRKAWECNI-LLVKDONJSA-N 324.833 3.341 0 40 DGAB Cc1ccc(/C=C/C(=O)NC[C@H](c2ccco2)N2CCCC2)o1 5704802 QHJWXRGONUWWMY-ROJDOSBLSA-N 314.385 3.148 0 40 DGAB O=C(Cn1cnc2ccccc2c1=O)C12CC3CC(CC(C3)C1)C2 6086779 VZFGJIMRQWOLHC-UHFFFAOYSA-N 322.408 3.182 0 40 DGAB O=c1[nH]c(CN2CCCC2)nc2scc(-c3cccs3)c12 6315635 NBNNJYJDMBVZOB-UHFFFAOYSA-N 317.439 3.309 0 40 DGAB O=c1c2ccsc2ncn1Cc1cc(-c2ccccc2)on1 7024490 CAHOEVKAHPFWJF-UHFFFAOYSA-N 309.350 3.161 0 40 DGAB CC(=O)Nc1ccc(C(=O)OCC(=O)c2ccc(C)s2)cc1 7128210 BVLSYOOLUWDXKN-UHFFFAOYSA-N 317.366 3.055 0 40 DGAB Cc1ccc(C(=O)[C@@H](C)Sc2nnc(C3CC3)n2C)cc1 7235362 ZPNWJMIBVABLEH-LLVKDONJSA-N 301.415 3.364 0 40 DGAB CCn1c(SCc2nnc(-c3ccco3)o2)nnc1C1CC1 7618267 JNYHZDGEBBMSLO-UHFFFAOYSA-N 317.374 3.111 0 40 DGAB COc1ccc(/C=C/C(=O)NCc2ccccc2C)cc1OC 7976961 MUUXQZFVZBKWKV-PKNBQFBNSA-N 311.381 3.342 0 40 DGAB Cc1nc(-c2ccccc2O)n(-c2ccc3ccccc3n2)n1 9142721 OREFKPALRWSDRF-UHFFFAOYSA-N 302.337 3.497 0 40 DGAB CC(C)OC(=O)CCNC(=O)N[C@H](c1ccccc1)C(C)C 10204415 MLAFFWOVLJMJFR-INIZCTEOSA-N 306.406 3.025 0 40 DGAB O=C(NCc1ccc(Cn2cccn2)cc1)c1ccc(F)cc1 12774077 IMAFKRFUYRHPNO-UHFFFAOYSA-N 309.344 3.001 0 40 DGAB O=C(CN1CCSC1=O)Nc1ccc2c(c1)Cc1ccccc1-2 12783568 UCWMPOBSGHGIKP-UHFFFAOYSA-N 324.405 3.365 0 40 DGAB Cc1cccc(NC(=O)COc2cc(Cl)ccc2C(=O)O)c1 13085192 VLKLHEISSQOEOW-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB CCOCc1nc(N)nc(N)c1-c1ccc(Cl)c(Cl)c1 13284972 PDPRXKKYKMWYNG-UHFFFAOYSA-N 313.188 3.151 0 40 DGAB O=C([C@H]1COc2ccc(Cl)cc2C1)N1CCc2ccccc21 14186528 GAHHHYLNPMAZCO-CQSZACIVSA-N 313.784 3.480 0 40 DGAB Cc1ccc(CCC(=O)NCc2ccccc2-n2ccnc2)cc1 20457879 BDNKGAAICCPLSS-UHFFFAOYSA-N 319.408 3.430 0 40 DGAB Cc1ccccc1C(=O)N1CCCC[C@@H]1CCN1CCCC1 21148669 NNNXJEJRSULNDF-QGZVFWFLSA-N 300.446 3.476 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)c2ccc(NC(=O)C3CC3)cc2)C1 21895378 YPMISJHJAKZOOG-BETUJISGSA-N 300.402 3.153 0 40 DGAB O=S(=O)(N1CCCCCC1)N1CCC[C@@H]1c1cccs1 23398363 AMQVVUAGJHWXFQ-CYBMUJFWSA-N 314.476 3.006 0 40 DGAB Cc1ccccc1OCCN(C)C(=O)c1ccc2[nH]cnc2c1 24220618 TXEUTMQQYUCKJK-UHFFFAOYSA-N 309.369 3.022 0 40 DGAB Cc1ccoc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 25842542 DBZPSPZTDFNGRE-UHFFFAOYSA-N 309.369 3.484 0 40 DGAB COC(=O)c1cccc(NCc2nc(-c3cccs3)no2)c1 26782874 LICRPRLCOHTCHX-UHFFFAOYSA-N 315.354 3.197 0 40 DGAB CC(=O)N1CC(=O)Nc2cc(Cl)ccc2[C@H]1c1ccccc1 28048060 DFUHXSRANGTZJJ-QGZVFWFLSA-N 314.772 3.230 0 40 DGAB O=C(CCS(=O)(=O)c1ccccc1Cl)Nc1ccccc1 28090441 FYBGELKYKJNRHC-UHFFFAOYSA-N 323.801 3.143 0 40 DGAB CCN1CCO[C@@](O)(c2cc(Cl)cc(Cl)c2Cl)C1 31924527 BWWONPXPSMTYEI-GFCCVEGCSA-N 310.608 3.144 0 40 DGAB Cc1nc(Nc2cccc3ncccc23)c2c(n1)c(C)nn2C 32501935 ICFJPPQLVPKPKF-UHFFFAOYSA-N 304.357 3.272 0 40 DGAB CC(=O)NCc1ccc(C(=O)Nc2ccc(C)cc2F)cc1 32738018 NXPWYQMRFAYNPS-UHFFFAOYSA-N 300.333 3.023 0 40 DGAB CC(C)CC[C@@H](C)NC(=O)CCc1nc(-c2cccnc2)no1 32824536 CVKHJHWINIEJLU-CYBMUJFWSA-N 316.405 3.005 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)Nc1cccc(OC)c1 32876658 BNSQMAVQDMPBPM-CYBMUJFWSA-N 322.364 3.149 0 40 DGAB Cc1cccc(NC(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c1 32912568 WGMJJQFXULWIHW-OAHLLOKOSA-N 306.312 3.128 0 40 DGAB Cc1ccc(C(=O)OCC(=O)c2ccc3c(c2)CCCC3)cn1 36718499 KDIQMCHWSPGXCY-UHFFFAOYSA-N 309.365 3.309 0 40 DGAB Cc1cc(C(=O)NCCc2ccc(C(=O)O)cc2)c(C)s1 36908881 KNJBJDNVAAYHMM-UHFFFAOYSA-N 303.383 3.036 0 40 DGAB C[C@@H](NC(=O)c1cccc2cn[nH]c12)c1ccc(F)cc1F 37150945 CRWDXCQSBHYMCY-SECBINFHSA-N 301.296 3.332 0 40 DGAB CCCc1noc([C@H]2CCCCN2C(=O)c2ccoc2C)n1 40714502 RLIFBHSODVSYOJ-CYBMUJFWSA-N 303.362 3.291 0 40 DGAB COC1CCN([C@@H](C)c2nc(-c3ccc(C)c(F)c3)no2)CC1 42567067 RIIRYDXSUHJDQG-LBPRGKRZSA-N 319.380 3.356 0 40 DGAB COc1ccccc1[C@@H](C)NS(=O)(=O)c1ccc(F)cc1C 42669051 NPPZPJCBQAIHPD-GFCCVEGCSA-N 323.389 3.182 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)c2cc(Cl)c(Cl)[nH]2)C1 43589671 ATVFOXAOJXLEMV-MRVPVSSYSA-N 319.188 3.039 0 40 DGAB Cc1ccsc1CNC(=O)NC1CC(C)(C)NC(C)(C)C1 45866608 DPGIKROFGGRCJN-UHFFFAOYSA-N 309.479 3.165 0 40 DGAB C[C@H]1C[C@@H](C)CN(C(=O)CN2CCC[C@@H]2c2cccs2)C1 48324907 SFPFDTJFKBPYIZ-QLFBSQMISA-N 306.475 3.390 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)N(C)Cc1ccsc1 48374017 JTHFBXVXSWVERZ-CYBMUJFWSA-N 300.427 3.158 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)c2ccc(F)cc2Cl)n1 48404266 FHHCLNROIDQXAL-SNVBAGLBSA-N 323.799 3.359 0 40 DGAB COc1cccc(-c2cc(C(=O)Nc3ccccc3OC)n[nH]2)c1 51315594 SJQZRBMUMDXSAF-UHFFFAOYSA-N 323.352 3.346 0 40 DGAB CONC(=O)c1ccccc1CSc1nc2ccccc2o1 53720591 AZVQPLPVOWGEMY-UHFFFAOYSA-N 314.366 3.411 0 40 DGAB CC[C@H](C)[C@H](NC(=O)c1cccnc1)c1nc2ccccc2[nH]1 55441308 QAKBFOWCHADJLL-LRDDRELGSA-N 308.385 3.475 0 40 DGAB COc1ccccc1S(=O)(=O)N1CCCCc2ccccc21 56052881 PBCPQFMZFNUXLX-UHFFFAOYSA-N 317.410 3.227 0 40 DGAB COc1ccc(C2=CCN(C(=O)Nc3cc(C)on3)CC2)cc1 56324859 VMURYFZKXSAJOY-UHFFFAOYSA-N 313.357 3.313 0 40 DGAB CCN(C(=O)C1=NN(c2ccccc2)C(=O)CC1)[C@H](C)C(C)C 60140519 QIPLJZKVMUOVLJ-CQSZACIVSA-N 315.417 3.062 0 40 DGAB O=C(Cc1cccs1)Nc1cccnc1N1CCCCC1 65862462 WXFANAGZDUAROD-UHFFFAOYSA-N 301.415 3.315 0 40 DGAB Cc1cccc2nc(CNC(=O)Nc3ccc(F)cc3F)cn12 69037322 XVSXPCLZYGRWCA-UHFFFAOYSA-N 316.311 3.243 0 40 DGAB Cc1noc(C)c1CNC(=O)N[C@@H](C)C(C)(C)c1ccccc1 69493760 RSPJVCIZAWFCOR-AWEZNQCLSA-N 315.417 3.457 0 40 DGAB Cc1noc(C2CCN(CCOC3CCCCCC3)CC2)n1 69979024 XOWZDCLBTGZBKW-UHFFFAOYSA-N 307.438 3.297 0 40 DGAB Cc1nccn1[C@H]1CCCN(C(=O)Cc2cccc(Cl)c2)C1 70021603 JDYYWCODFKMSGJ-INIZCTEOSA-N 317.820 3.251 0 40 DGAB CC(=O)N1CCCC[C@H]1c1cnc(N2CCCCC2)c(C)c1 72219194 YOUDUKUJGUDBLU-KRWDZBQOSA-N 301.434 3.454 0 40 DGAB Cc1ccccc1CC(=O)OCC(=O)NCCC1=CCCCC1 72331062 TZNFZXGYRHDAEW-UHFFFAOYSA-N 315.413 3.087 0 40 DGAB CCNC(=O)[C@@]1(Cc2ccc(-c3ccccc3)cc2)CCCNC1 72391954 UHEWKYXRUURRGQ-OAQYLSRUSA-N 322.452 3.402 0 40 DGAB COc1cc(OC)cc(C(=O)Nc2cc(CSC)ccn2)c1 75141005 VTYWPWVYNXXQSG-UHFFFAOYSA-N 318.398 3.214 0 40 DGAB CC(=O)Nc1[nH]nc(C2CCCC2)c1-c1ccc2c(c1)OCO2 75148766 BSSCAQAAQDQBBB-UHFFFAOYSA-N 313.357 3.421 0 40 DGAB O=C(C1CC=CC1)N1CCC[C@@H](c2cc(C(F)(F)F)[nH]n2)C1 76059773 AITBZTYUDSEJNI-LLVKDONJSA-N 313.323 3.101 0 40 DGAB Cc1cc(CNC(=O)Nc2ccc(OC3CCC3)c(F)c2)no1 79014541 XRBPYDFKXXRXJR-UHFFFAOYSA-N 319.336 3.375 0 40 DGAB CCC1(CNC(=O)c2cccc(CN3CCCC3=O)c2)CCC1 84257208 FMUONWFWFMDJMU-UHFFFAOYSA-N 314.429 3.119 0 40 DGAB O=C(c1ccc(CNc2ncccc2F)cc1)N1CCCCC1 84483071 POBOAMPZMYLEDZ-UHFFFAOYSA-N 313.376 3.459 0 40 DGAB CCSCC[C@@H](C)NC(=O)C[C@](O)(c1ccccc1)C1CC1 84812066 HDUNTAOLDCFXRF-KDOFPFPSSA-N 321.486 3.322 0 40 DGAB O=C(c1cc(C2CC2)nc2ccccc12)N1CCN(C2CC2)CC1 89866654 ZKCCSRAWNMUBES-UHFFFAOYSA-N 321.424 3.032 0 40 DGAB C[C@H](C[C@@H](O)c1ccccc1)Nc1ccccc1S(C)(=O)=O 89895040 UITSKOJSXIANDX-CZUORRHYSA-N 319.426 3.014 0 40 DGAB C[C@H]1CCN(C(=O)Cc2ccc3c(c2)OCO3)c2ccccc21 89930010 LXMHWWMSDIDIAP-ZDUSSCGKSA-N 309.365 3.498 0 40 DGAB O=C(Nc1cccc(-c2ccc3c(c2)CCO3)c1)[C@@H]1CCOC1 93168642 LDKGITNYOVXXGZ-MRXNPFEDSA-N 309.365 3.264 0 40 DGAB c1cc(Cn2cnc3ccccc32)cc(NCc2ncc[nH]2)c1 95429093 WDXYHZQFLQSIHY-UHFFFAOYSA-N 303.369 3.420 0 40 DGAB COCC[C@@H](C)NC(=O)Nc1cc(C)ccc1Br 95976820 SVBFEDFZVIKVCL-SNVBAGLBSA-N 315.211 3.304 0 40 DGAB COc1cccc2cc([C@H](C)NC[C@@H](O)c3ccncc3)oc12 95988114 FHCLLKVUKLLMQS-SWLSCSKDSA-N 312.369 3.221 0 40 DGAB CC[C@@H](C)Oc1cc(C(=O)N(C)c2c(C)noc2C)ccn1 95991236 DAQACJXUNKRXPO-SNVBAGLBSA-N 303.362 3.140 0 40 DGAB c1ccc(CN2CCO[C@@H]3[C@@H]2CC[C@H]3OCc2cccnc2)cc1 96041719 UCZFMYLEMUBIAL-XUVXKRRUSA-N 324.424 3.030 0 40 DGAB C[C@@H]1CCCCN1C(=O)c1ccn(-c2ccc3ccccn23)n1 96155311 HVIQYGLEHOYCSB-CQSZACIVSA-N 308.385 3.140 0 40 DGAB CCO[C@H]1C[C@H](N(C)C(=O)c2ccc(COC)o2)C12CCCC2 96419386 KLUMXOIETLSVJG-HOTGVXAUSA-N 321.417 3.236 0 40 DGAB Cc1ccccc1[C@@H]1C[C@H]1C(=O)Nc1ccc([S@](C)=O)cc1 96431254 HKCPXWRWRYTHDG-GSHUGGBRSA-N 313.422 3.475 0 40 DGAB CC(C)n1ccc(CSCC(=O)N2[C@@H](C)CCC[C@@H]2C)n1 96448028 ILRONMBAEHQFDF-KBPBESRZSA-N 309.479 3.487 0 40 DGAB CCOc1cccc(C[S@@](=O)Cc2c(F)cccc2F)n1 97085308 KPXBCPZCSAVBOF-NRFANRHFSA-N 311.353 3.207 0 40 DGAB CC(C)c1nnc2n1C[C@H](NCc1cc3ccccc3o1)CC2 97199496 OIKJFSUNNREUGB-CQSZACIVSA-N 310.401 3.252 0 40 DGAB O=C1[C@H]2[C@@H]3C=C[C@H]([C@H]4C[C@H]34)[C@H]2C(=O)N1c1ccc2c(c1)CCCC2 100221885 YXLHJRQJKUYGQR-UPGMHYFXSA-N 319.404 3.123 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]2CC[C@H]1CN(Cc1ccccn1)CC2 101489906 RZRJNPXSGWRDEA-HOTGVXAUSA-N 317.433 3.055 0 40 DGAB COc1cc(C)c(NC(=S)N[C@@H]2C[C@H]3CC[C@H]2C3)cc1OC 105871709 VZWLKLBSQYRGSV-SGMGOOAPSA-N 320.458 3.487 0 40 DGAB C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(C(=O)c2cc(Cl)cn2C)C1 106832064 YTSKXPNQDXUKCD-GUTXKFCHSA-N 323.868 3.156 0 40 DGAB Cc1ccc(Cl)c(NC(=O)N(C)[C@@H]2CCN(C)C[C@H]2C)c1 108111133 SQFQXDXUSPEOHV-IUODEOHRSA-N 309.841 3.452 0 40 DGAB CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)[C@@H]1COc3ccccc3O1)C2 165949076 LWLPORXSTYOEKY-DLLGKBFGSA-N 315.413 3.157 0 40 DGAB CN(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H]1CCCC[C@H]1N 199572962 PLSITOMJRRPKDL-CHWSQXEVSA-N 301.217 3.335 0 40 DGAB in-vitro C[C@@H]1C[C@@H](C)CN(c2ccc(NC(=S)NC3CC3)cn2)C1 224031415 JAONIIWDDHDRTB-VXGBXAGGSA-N 304.463 3.013 0 40 DGAB O=C(NC[C@H]1CC[C@@H](O)C1)Nc1cc(-c2ccccc2)ns1 225595681 WPJFWQHMGSKREA-WCQYABFASA-N 317.414 3.093 0 40 DGAB Cc1cccc(NC(=S)N[C@H](C)COc2ccccc2)n1 225784546 SRRJVZQVECYQFA-CYBMUJFWSA-N 301.415 3.144 0 40 DGAB Cc1c[nH]c([C@@H]2CCCN(C(=O)c3ccc(C)c(F)c3)C2)n1 257236855 HEAXYYXRHHXOMD-CQSZACIVSA-N 301.365 3.185 0 40 DGAB COc1ccc(CN2CCC[C@H](c3nc(C)cn3C)C2)c(F)c1 257240614 HUIHIKTYEBGZAW-HNNXBMFYSA-N 317.408 3.256 0 40 DGAB CC(=O)N1CCCC[C@H]2[C@@H]1[C@H](c1ccccc1)CN2C(C)C 257327317 XAXPPQONPJSQHO-FHWLQOOXSA-N 300.446 3.264 0 40 DGAB COc1ccc(COC(=O)Cn2cc(C=O)c3ccccc32)cc1 408605221 LAVYCIMPVVFGMN-UHFFFAOYSA-N 323.348 3.206 0 40 DGAB O=C(COc1ccccc1F)NCc1ccc(-c2ccco2)o1 575608706 KCDGZEIKHYBMGQ-UHFFFAOYSA-N 315.300 3.374 0 40 DGAB O=C(Nc1cccc2ncccc12)N1CC[C@@H](OCC2CC2)C1 575618279 KYDMWKJZRGQPQX-CQSZACIVSA-N 311.385 3.268 0 40 DGAB COC(=O)c1ncn(-c2ccc(OC)cc2)c1-c1ccccc1O 1501015458 MGJOAISBXWJOSJ-UHFFFAOYSA-N 324.336 3.040 0 40 DGAB Cc1cc(OCC2CCN(C(=O)C3CC(F)(F)C3)CC2)ccn1 1775995431 VPZNXDHWNMQXMS-UHFFFAOYSA-N 324.371 3.053 0 40 DGAB COc1cccc2sc(N3C[C@H]4CCCC[C@@]4(CO)C3)nc12 1888870163 LQQXOABYSWODJF-PXAZEXFGSA-N 318.442 3.294 0 40 DGAB Brc1ccc(C2=N[C@@H](c3ccccc3)CO2)nc1 1988188049 OBYFAHKQBUQLDM-CYBMUJFWSA-N 303.159 3.362 0 40 DGAB Cc1cnccc1O[C@H]1CCN(c2ncnc3ccsc23)C1 2086887031 RREXXWIKXYOTPA-LBPRGKRZSA-N 312.398 3.052 0 40 DGAB COc1cc([C@@H]2SCC(=O)N2Cc2ccccc2)ccc1O 45571 WMWJJQSFWBSKPI-KRWDZBQOSA-N 315.394 3.175 0 40 DGAB CC(=O)NC(=S)Nc1nc2c(Cl)c(Cl)ccc2s1 557586 VRNLTMGYHMBREW-UHFFFAOYSA-N 320.226 3.436 0 40 DGAB CC(C)c1nnc(NC(=O)CCC(=O)Nc2ccccc2)s1 1253163 BCYWANDRWRZLCK-UHFFFAOYSA-N 318.402 3.019 0 40 DGAB COc1cc(NC(=O)c2cccnc2SC)cc(OC)c1 2664285 RADIBKUYCROJNH-UHFFFAOYSA-N 304.371 3.073 0 40 DGAB C[C@@H]1CN(c2nc(-c3cccnc3)nc3ccccc23)C[C@@H](C)O1 3420750 DJSPBMZLISMIAM-ZIAGYGMSSA-N 320.396 3.305 0 40 DGAB Cc1nnc(NC(=O)/C=C/c2ccc(OC(F)F)cc2)s1 3518892 HOXLOYMHNHMAME-QPJJXVBHSA-N 311.313 3.100 0 40 DGAB CCc1nnc(NC(=O)/C=C/C2=Cc3ccccc3OC2)s1 5034460 DVJQYKINLMDDAQ-BQYQJAHWSA-N 313.382 3.071 0 40 DGAB CCN(Cc1cc2ccccc2[nH]c1=O)C(=O)c1ccccc1C 5178068 UIQVVYBGECUTEZ-UHFFFAOYSA-N 320.392 3.499 0 40 DGAB Cc1ccc([S@](=O)CC(=O)c2cc(C)c(O)c(C)c2)cc1 5363587 HNCXVZQRBIMQRJ-NRFANRHFSA-N 302.395 3.308 0 40 DGAB CCC(CC)C(=O)OCC(=O)NC12CC3CC(CC(C3)C1)C2 5560472 XLEIFVDTFWYINV-UHFFFAOYSA-N 307.434 3.051 0 40 DGAB O=C(c1cccc(Cl)c1)N1C=CC(C(F)(F)F)=NCC1 5756931 IWYKMAWQVWDEOP-UHFFFAOYSA-N 302.683 3.313 0 40 DGAB O=C(Nc1cccc(C(F)(F)F)c1)N1CCCC[C@@H]1CO 5892671 ALCJADIHNPLZMJ-GFCCVEGCSA-N 302.296 3.084 0 40 DGAB COc1ccc(C(=O)N[C@H]2CCCC[C@@H]2C)c(OC)c1OC 6648767 QQNOQZHTSVRVFT-AAEUAGOBSA-N 307.390 3.021 0 40 DGAB O=[N+]([O-])C1=Cc2cc(Br)ccc2O[C@H]1C(F)(F)F 6668623 FCUVZLGTWMOXRD-SECBINFHSA-N 324.052 3.390 0 40 DGAB Brc1ccc(-c2ccc(CNn3cnnc3)o2)cc1 7602214 XMSWOSXWCHKNKZ-UHFFFAOYSA-N 319.162 3.044 0 40 DGAB CN(CC(=O)N[C@H]1CCCc2ccccc21)Cc1ccccc1 7785819 ZXNJZPPMMHVYDL-IBGZPJMESA-N 308.425 3.312 0 40 DGAB Cc1ccccc1C(=O)N[C@@H](CC(C)C)C(=O)NC1CCCC1 8082011 FWNAJWCPYMAJRO-KRWDZBQOSA-N 316.445 3.198 0 40 DGAB COC(=O)C1=C(C)N=C2Nc3ccccc3N2[C@@H]1c1ccccc1 8973764 GSVAQPRHUJBYPD-QGZVFWFLSA-N 319.364 3.476 0 40 DGAB C[C@@H]1CCCCN1C(=O)CSc1nc(-c2cccs2)n[nH]1 9316240 JFGCTVWCZSSZAK-SNVBAGLBSA-N 322.459 3.026 0 40 DGAB COc1ccc(OC)c(NC(=O)[C@H](C)Sc2ccccn2)c1 9967716 XIDNKSSANDQYMJ-NSHDSACASA-N 318.398 3.218 0 40 DGAB CCOc1ccc(CC)cc1S(=O)(=O)NCc1ccccc1 11565824 IDAMCAPJIUYWGB-UHFFFAOYSA-N 319.426 3.126 0 40 DGAB Cc1cc(C)cc(OCC(=O)Nc2onc3c2C[C@@H](C)CC3)c1 11915479 MNLXCLPFITZAHD-NSHDSACASA-N 314.385 3.434 0 40 DGAB C[C@H]1CCCCN1C[C@@H](O)COCC12CC3CC(CC(C3)C1)C2 12289058 CLDPFFQOCOTUIH-CYAQNONDSA-N 321.505 3.455 0 40 DGAB O=C(NC1CC1)c1ccc(NC(=O)c2c(F)cccc2F)cc1 12941694 SBMREMBGZJMBFG-UHFFFAOYSA-N 316.307 3.109 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1F 14017117 LVKCMSXIASNPRP-UHFFFAOYSA-N 312.344 3.279 0 40 DGAB Cc1ccc(Cc2cnc(NC(=O)c3cnccn3)s2)cc1 14115955 XCCLIXCEDSIXEO-UHFFFAOYSA-N 310.382 3.085 0 40 DGAB C[C@@H](c1ccc(F)cc1)N(C)Cc1nc2ccccc2c(=O)[nH]1 14123584 WCTVYASWPDHPMO-LBPRGKRZSA-N 311.360 3.255 0 40 DGAB COC(=O)c1cccc(NC(=O)Cc2c[nH]c3ccccc23)c1 15976551 BITAWIRHYCKKMK-UHFFFAOYSA-N 308.337 3.136 0 40 DGAB CCc1ccc([C@H](C)NS(=O)(=O)c2ccc(OC)cc2)cc1 17055016 XPECEXFIBPPNMK-ZDUSSCGKSA-N 319.426 3.297 0 40 DGAB CN(C)CCN(Cc1cccs1)C[C@@H]1CCOC(C)(C)C1 21151190 RRNGTPCUDMLNBW-OAHLLOKOSA-N 310.507 3.317 0 40 DGAB NC[C@H]1CN=C(c2ccccc2F)c2cc(Cl)ccc2N1 22048566 LSQOUBKWMBDIPL-NSHDSACASA-N 303.768 3.069 0 40 DGAB in-vitro COc1ccc([C@@H](CNC(=O)c2sccc2C)N(C)C)cc1 22414223 UPFSSJQFYGTSKQ-OAHLLOKOSA-N 318.442 3.098 0 40 DGAB Cc1ccc(-c2nnc(CCC(=O)Nc3ccccn3)o2)cc1 23055354 ZDUANLRHAMIJRC-UHFFFAOYSA-N 308.341 3.011 0 40 DGAB Cc1ccccc1[C@H](CC(=O)N[C@@H](C)CCC(C)C)NC(N)=O 24463456 IZYCTHVDERCFIX-HOCLYGCPSA-N 319.449 3.035 0 40 DGAB CC(C)CNC(=O)C[C@H](NC(=O)c1ccccc1)c1ccccc1 26522488 ZRHXVFFDJHLEFF-SFHVURJKSA-N 324.424 3.320 0 40 DGAB COc1cccc(O[C@H](C)C(=O)N2CCCc3ccccc32)c1 30853524 IRMXHISWCVSVIF-CQSZACIVSA-N 311.381 3.442 0 40 DGAB COc1ccc([C@@H](C)NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 30854417 SNYCILBQYONGJN-CHWSQXEVSA-N 317.360 3.479 0 40 DGAB CC[C@H](NC(=O)NCc1cccnc1OC)c1ccc(C)cc1 32801861 XEAPBNSUBYBDCZ-INIZCTEOSA-N 313.401 3.349 0 40 DGAB CCCc1n[nH]c(SCC(=O)N2CCC[C@@H]3CCCC[C@H]32)n1 32907145 YJVFILZWQFHZCZ-QWHCGFSZSA-N 322.478 3.031 0 40 DGAB CCCN(CC(=O)Nc1ccccc1OC)C(=O)C1CCCC1 32964098 MBCNXSBSUHIYQG-UHFFFAOYSA-N 318.417 3.063 0 40 DGAB Cc1ccc(C(=O)Nc2cccc(NC(=O)NC(C)C)c2)cn1 33176159 SEOPZORJOIXZTL-UHFFFAOYSA-N 312.373 3.172 0 40 DGAB Cc1ccc([C@@H](C)NC(=O)c2cc(C)nc3c2cnn3C)c(C)c1 36615868 MZRMGGDWSMMNKQ-CQSZACIVSA-N 322.412 3.385 0 40 DGAB Cc1cccc(N2C[C@@H](C(=O)N3CCCC[C@@H]3C)CC2=O)c1C 36755262 ROHZCJKZGUEITD-HOCLYGCPSA-N 314.429 3.057 0 40 DGAB CC(C)c1nnc(C2CCN(C(=O)NC3CCCCC3)CC2)o1 38904934 YIFZIISFUQRZBB-UHFFFAOYSA-N 320.437 3.415 0 40 DGAB Cc1ccc(C)c(NC(=O)NC[C@@H](O)c2ccc(F)cc2)c1 40525198 LMVMKYZMKRLHPZ-MRXNPFEDSA-N 302.349 3.298 0 40 DGAB Cc1ccc([C@H](O)CNC(=O)CCn2ccc3ccccc32)cc1 41467075 GQULNIVAKKQUDB-LJQANCHMSA-N 322.408 3.190 0 40 DGAB O=C(Nc1nccs1)N1CCC(c2ccc(O)cc2)CC1 42758239 CNUHZCSIBHCBGL-UHFFFAOYSA-N 303.387 3.260 0 40 DGAB O=C(NCCc1ccccn1)Nc1ccccc1C(F)(F)F 43159616 NDNOCTWTQUUKII-UHFFFAOYSA-N 309.291 3.465 0 40 DGAB C[C@H](NC(=O)CN1CCC[C@@H]1c1ccsc1)c1ccco1 44937865 SFMSFFXHUCBFQF-GXTWGEPZSA-N 304.415 3.355 0 40 DGAB CCCNC(=O)[C@@H](C)SCc1nc(-c2ccccc2C)no1 45025207 LSKWISOMFUDXOP-GFCCVEGCSA-N 319.430 3.193 0 40 DGAB Cc1nn(C)c(Cl)c1C(=O)NCCc1ccc(Cl)s1 48325059 SEOQHTPOUHIFNV-UHFFFAOYSA-N 318.229 3.069 0 40 DGAB COc1cc2c(cc1-c1nc3ccc(C(=O)O)cc3[nH]1)O[C@@H](C)C2 48877328 VENVUUDILZSJKX-VIFPVBQESA-N 324.336 3.260 0 40 DGAB C[C@@H](OC[C@H]1CCCO1)C(=O)Nc1ccc(F)c(Cl)c1 49275888 YADXNSZRILNMRB-MWLCHTKSSA-N 301.745 3.002 0 40 DGAB Cc1occc1-c1nnc(SCC[C@@H]2CCCCN2C)n1C 49710811 NECYQURKSMFPRY-ZDUSSCGKSA-N 320.462 3.350 0 40 DGAB O=C(C=C1CCCCC1)NCc1ccccc1Cn1cccn1 55981316 UHTAFMNNXKAIAT-UHFFFAOYSA-N 309.413 3.438 0 40 DGAB O=C(NCc1cccc(COc2ccccc2)c1)[C@H]1CCCO1 55990926 CDZXVZWVXJIKKE-GOSISDBHSA-N 311.381 3.061 0 40 DGAB COc1ccc(-c2[nH]c3ccccc3c2CCC(N)=O)c(OC)c1 57419939 RPAGQCAJWQAUGZ-UHFFFAOYSA-N 324.380 3.270 0 40 DGAB C[C@H](S[C@@H]1CCCc2ccccc21)C(=O)N1CCOCC1 58169187 BTAWAEHNBFWQON-XJKSGUPXSA-N 305.443 3.045 0 40 DGAB O=C(Nc1ccc2ncccc2c1)c1cnn(-c2ccccc2)n1 58218283 CQWBNGBYPJAFDN-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB N=C(NCCCCOCc1ccccc1)NCc1ccccc1 58329428 YOJVWMPBESKHBL-UHFFFAOYSA-N 311.429 3.298 0 40 DGAB Cc1ccc([C@@H]2CCCN2C(=O)CCNc2ncccn2)cc1C 58417812 OANLKUSYCOXZBP-KRWDZBQOSA-N 324.428 3.259 0 40 DGAB CN(C)[C@@H](CNC(=O)c1nccc2ccccc12)c1ccccc1 60321941 DKPCJHOCLMZEBJ-SFHVURJKSA-N 319.408 3.268 0 40 DGAB CC(C)(C)c1cc(CC2(NCc3ccc(F)cc3)COC2)no1 67897841 BYEACUFMIHINAK-UHFFFAOYSA-N 318.392 3.213 0 40 DGAB biogenic,in-vitro c1ccc2sc(CN3CCCC[C@H]3C3OCCO3)nc2c1 69240055 IDDBUBIMIZUDKW-ZDUSSCGKSA-N 304.415 3.024 0 40 DGAB Cc1cccc([C@H](C)OC(=O)Cn2ncc(=O)c3ccccc32)c1 71914350 COFWHZDNWVAJEP-AWEZNQCLSA-N 322.364 3.009 0 40 DGAB CC(=O)N1CCC(c2nc(C)cc(-c3ccsc3)n2)CC1 72351357 ZNUCZPFVJUUEKR-UHFFFAOYSA-N 301.415 3.239 0 40 DGAB COc1ccc2c(c1)N(C(=O)c1nc(C(C)C)cs1)CCO2 72528104 HKCQMVDUMIGORA-UHFFFAOYSA-N 318.398 3.314 0 40 DGAB CCC[C@@](C)(CO)NC(=O)Nc1ccccc1Br 75094167 ONBSDUNLFOSMDO-ZDUSSCGKSA-N 315.211 3.122 0 40 DGAB CCO[C@H]1C[C@H](Nc2ncccc2-c2nc(C)no2)C12CCC2 78360663 RWEGORFVKQLPSC-KBPBESRZSA-N 314.389 3.200 0 40 DGAB C[C@H]1C[C@@H](CC(=O)N[C@@H]2CCN(CC3CC3)C2)CC(C)(C)C1 78570638 NIUIYONNBJSBMH-BHYGNILZSA-N 306.494 3.439 0 40 DGAB O=C(/C=C/c1ccccc1)NCc1ccccc1-n1ccnc1 91212298 FYUBENSFYBAAAF-ZHACJKMWSA-N 303.365 3.202 0 40 DGAB CCN(CC)c1nc(-c2ccc(OC)cc2)c(CC(=O)O)s1 95097156 YGWOITBRCSSYOL-UHFFFAOYSA-N 320.414 3.292 0 40 DGAB CC(C)C1CCC(NC[C@@H](Cc2ccc(F)cc2)C(N)=O)CC1 95464342 KZMVZUZZPIGBQY-UPTPFMHGSA-N 320.452 3.274 0 40 DGAB CC(C)(C)OC(=O)N[C@@H](CCc1ccccc1Cl)C(=O)O 95749091 JNIQRDWUMGDPKP-LBPRGKRZSA-N 313.781 3.251 0 40 DGAB O=C(O)CC[C@H]1CCCN(C(=O)c2coc3ccccc23)C1 95959396 BWEHFYQEITXHGX-GFCCVEGCSA-N 301.342 3.150 0 40 DGAB Cc1c(C(=O)N[C@H]2CCCOc3cc(Cl)ccc32)cnn1C 95987138 KKWQYRGMVCIFCE-AWEZNQCLSA-N 319.792 3.026 0 40 DGAB CC[C@H](C)Oc1cc(C(=O)N(C)c2c(C)noc2C)ccn1 95991237 DAQACJXUNKRXPO-JTQLQIEISA-N 303.362 3.140 0 40 DGAB CN1CC2(CCN(Cc3cccnc3)CC2)c2cc(F)ccc21 96261811 DXEWECMTDBHKBK-UHFFFAOYSA-N 311.404 3.204 0 40 DGAB C[C@@H](CNC(=O)CCc1cccnc1)Oc1cccc(Cl)c1 96426057 KJCKXWYUGIWUSC-ZDUSSCGKSA-N 318.804 3.251 0 40 DGAB Brc1ccccc1-c1cnc(Cn2cccn2)o1 96428951 SPDKROKEIUSYLY-UHFFFAOYSA-N 304.147 3.349 0 40 DGAB C[C@H](CNC(=O)CCc1cccnc1)Sc1ccccc1 96431696 ZEZPDAPTRBSNPC-CQSZACIVSA-N 300.427 3.311 0 40 DGAB CN(C)CCN(Cc1cccs1)C(=O)c1ccc(Cl)cn1 96460359 CYTKMPPKNBXAMZ-UHFFFAOYSA-N 323.849 3.001 0 40 DGAB CC(C)Cc1noc(CSc2nnc(-c3ccncc3)o2)n1 97041737 MPVSJZAJSXXIAP-UHFFFAOYSA-N 317.374 3.005 0 40 DGAB CN(CC1(C)CCOCC1)C1CCN(Cc2ccccc2)CC1 97113457 FMTCUGIYCCLTHT-UHFFFAOYSA-N 316.489 3.400 0 40 DGAB CC[C@H](NC(=O)N(C)C[C@H](O)C(F)(F)F)c1ccc(C)cc1 97114133 JUVFYYXJNMANRS-STQMWFEESA-N 318.339 3.011 0 40 DGAB Cc1ncc(C[S@](=O)Cc2cnn(-c3ccccc3)c2)s1 97227877 OPZQQOPWNIXSHX-NRFANRHFSA-N 317.439 3.086 0 40 DGAB Cc1ncc2c(n1)C[C@@H]1CC[C@@H]2N1Cc1ccc(F)c(F)c1 100189323 QEKDWYHAOOKXPL-SJCJKPOMSA-N 301.340 3.325 0 40 DGAB CCOc1ccc(C(=O)[C@H]2C(=O)N(c3ccccc3)N=C2C)cc1 101348384 VDQKPGBLBMZJJE-KRWDZBQOSA-N 322.364 3.307 0 40 DGAB Cc1ccoc1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 108147172 IDHKWPRRUUIZOS-GJZGRUSLSA-N 320.339 3.041 0 40 DGAB Cc1cc(Br)c(O)c(I)c1 166993010 BYJLUNUNBXTNOI-UHFFFAOYSA-N 312.932 3.068 0 40 DGAB C[C@@H](Sc1nncn1C)C(=O)c1ccccc1C(F)(F)F 190964858 QHYYQMWVNSGGTH-MRVPVSSYSA-N 315.320 3.197 0 40 DGAB C[C@](O)(CNC(=O)c1ccc(-c2ccsc2)cc1)C1CC1 225619118 BPRGJXIOZYRMJT-KRWDZBQOSA-N 301.411 3.306 0 40 DGAB CC[n+]1cc(Br)cc(-c2nc3ccccc3[nH]2)c1 226774290 RQFJBAJKVZDRIZ-UHFFFAOYSA-N 303.183 3.300 0 40 DGAB C[C@H](NC(=O)[C@H]1C[C@H]1c1ccc(F)cc1F)c1cccnc1 245316844 KUWUKAODKYHJID-LKTVYLICSA-N 302.324 3.341 0 40 DGAB C[C@@H]1COCCN1c1ccc(NC(=O)[C@H]2C[C@H]3C=C[C@H]2C3)cc1 247948932 JKUQSUGEBRZENR-LLDVTBCESA-N 312.413 3.062 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@H](c3ccncn3)C2)c1 257223396 DXDZXGYWABNHIO-KRWDZBQOSA-N 322.456 3.456 0 40 DGAB O=C(c1ccc(N2CCCC2)cc1)N1CCC[C@@H](c2ccn[nH]2)C1 257248552 JEDUCAWNMATAIV-MRXNPFEDSA-N 324.428 3.030 0 40 DGAB Cc1cn[nH]c1[C@@H]1CCCCN1C(=O)c1cn2c(C)cccc2n1 257323968 WMPQPEPSYFIITK-HNNXBMFYSA-N 323.400 3.042 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3cccn3C)N21 260766180 JFDTUXYKYFEBFE-KCXAZCMYSA-N 312.442 3.400 0 40 DGAB Cc1oc(C(C)C)cc1C(=O)N[C@@H](CO)c1c(F)cccc1F 285685318 BPADDVWGLOALDD-AWEZNQCLSA-N 323.339 3.453 0 40 DGAB CO[C@@](C)(C(=O)N[C@H](C)c1nc(C(F)(F)F)cs1)C1CC1 293178185 HIAQXVCOPARACG-JMCQJSRRSA-N 322.352 3.154 0 40 DGAB CCCN1C(=O)N/C(=C\c2cc(Cl)ccc2OCC)C1=O 409221518 RKYMTDNUQQWBLF-XFXZXTDPSA-N 308.765 3.041 0 40 DGAB CC(C)c1cc(NC[C@@H]2CCc3ccccc32)n2ncnc2n1 518400946 UTZODQWVKFMPKP-AWEZNQCLSA-N 307.401 3.390 0 40 DGAB CCN(C(=O)[C@H](C)C(=O)O)[C@@H](C)c1cccc(C(F)(F)F)c1 574452945 NGWIKFZBXMPQOI-UWVGGRQHSA-N 317.307 3.336 0 40 DGAB C[C@H](NC(=O)N1CC(C2CCCC2)C1)c1ccc2n[nH]cc2c1 584488874 QZMNBMYWGMKJMC-LBPRGKRZSA-N 312.417 3.456 0 40 DGAB CCc1ccccc1[C@H](N)CNC(=O)N1CCC[C@@H](CCF)C1 952852437 UWKVINWCFOVNFO-WMLDXEAASA-N 321.440 3.030 0 40 DGAB Cn1cc(-c2ccc(CCNC(=O)[C@@H]3CC=CCC3)s2)cn1 1889103534 GNZSJSBVCUHEBL-CYBMUJFWSA-N 315.442 3.164 0 40 DGAB O=C(O)c1c(Br)ccc(OC(F)(F)F)c1F 34372153 PMHZGWJIYADKFG-UHFFFAOYSA-N 303.005 3.185 0 40 DGAB CN(Cc1ccsc1)C(=O)Cn1cnc2cc(F)c(F)cc21 24428042 JAJXSBOOEZGFLJ-UHFFFAOYSA-N 321.352 3.035 0 40 DGAB O=C(C[C@@H]1CCCO1)N(Cc1ccccn1)c1ccc(F)cc1 79140591 HARNLVMTNHCGIZ-KRWDZBQOSA-N 314.360 3.323 0 40 DGAB c1ccc(CCCO[C@H]2CCN(Cc3cscn3)C2)cc1 79502874 UIRSKLAEJNTTQQ-KRWDZBQOSA-N 302.443 3.367 0 40 DGAB CCOCCOCCO[C@H](C)Oc1ccc(Cl)cc1C 1734272 MDSKDQUTEXUHJN-ZDUSSCGKSA-N 302.798 3.443 0 40 DGAB CC(C)NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1 4696996 PLUFOQJGYVACNU-RVDMUPIBSA-N 314.410 3.044 0 40 DGAB Cc1ccc([C@@H]2CC(=O)Oc3c2c(=O)[nH]c2ccccc32)cc1 4944824 UCEHGENOEOQGME-AWEZNQCLSA-N 305.333 3.278 0 40 DGAB O=C(CN1CCCSc2ccccc21)NCc1cccs1 25789936 FNYXBUCWPKKGLF-UHFFFAOYSA-N 318.467 3.367 0 40 DGAB O=C(CNCc1ccc(F)cc1)Nc1ccccc1OC(F)F 58444879 VENIGNOOLJUNBY-UHFFFAOYSA-N 324.302 3.155 0 40 DGAB C[C@@H](Nc1ccc(Cl)c(C(N)=O)c1)c1nc(C(C)(C)C)no1 26995007 RNCFRZBPUPBMTP-MRVPVSSYSA-N 322.796 3.293 0 40 DGAB CCOc1ccc(C2(CNC(=O)CC(C)C)CCOCC2)cc1 58196162 KDBIXQSIHWNXTF-UHFFFAOYSA-N 319.445 3.296 0 40 DGAB C/C=C/C=C/C(=O)NC[C@@H]1CCN(c2ccc(F)c(F)c2)C1 58282074 TWTSBODZSOIZCH-VGOFJFCRSA-N 306.356 3.040 0 40 DGAB CCOc1nn(CC)cc1C(=O)Nc1cc(Cl)ccc1OC 9070572 PJJBWCJUIJSTSO-UHFFFAOYSA-N 323.780 3.216 0 40 DGAB Cc1cc(C)c2cc(C(=O)N3C[C@@H](C)O[C@H](C)C3)[nH]c2c1C 28263621 WYPXUVRLRDRPBQ-CHWSQXEVSA-N 300.402 3.343 0 40 DGAB CCOc1cc(C(=O)NCCCc2ccccc2)ccc1OC 28644921 ZCBRANYGCBMRCP-UHFFFAOYSA-N 313.397 3.457 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)c1 3240966 XSYDASDJHIEZEW-SQWLQELKSA-N 303.402 3.093 0 40 DGAB CCOc1ccc(NC(=O)CSc2cc(C)nc(C)n2)cc1 12016670 XNTWYJBSKHNJSV-UHFFFAOYSA-N 317.414 3.223 0 40 DGAB CCC(=O)c1cccc(NC(=O)N[C@H](C)Cc2cc(C)[nH]n2)c1 119609627 AHCJOFPWEQMOIP-LLVKDONJSA-N 314.389 3.064 0 40 DGAB Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@@H]3C23CC3)cc1Cl 100184410 USXBFTZCSXJFOE-JURCDPSOSA-N 313.784 3.350 0 40 DGAB O=C(C1CCC1)N1CCC[C@@H]1[C@H]1CCCN1Cc1ccccc1 106580875 SZCARAWXDWVJCR-RTBURBONSA-N 312.457 3.442 0 40 DGAB O=C(NCc1cc[nH]n1)N[C@@H](c1cccs1)C1CCCC1 48253241 ZOZZHWBQMZLEML-CQSZACIVSA-N 304.419 3.202 0 40 DGAB O=C(O)c1cnn2c(-c3ccc(C(F)(F)F)cc3)ccnc12 83255509 GELXSWMAYFQGSJ-UHFFFAOYSA-N 307.231 3.113 0 40 DGAB in-vitro CC1=Nc2c(c(O)nn2C(C)C)[C@H](c2c(C)nn(C)c2C)S1 71284510 XRQDXPASUVGCJW-ZDUSSCGKSA-N 319.434 3.406 0 40 DGAB C[C@H]1CN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CCO1 14189568 PIESPRPQDVQPTG-NSHDSACASA-N 315.394 3.168 0 40 DGAB COc1cccc([C@@H]2CCCN2C(=O)[C@@H]2Cc3ccccc3O2)c1 71793287 CSMQXTFRIGRAMT-HKUYNNGSSA-N 323.392 3.362 0 40 DGAB COc1ccc([C@H]2Nc3ccccc3C(=O)N2C2CC2)cc1O 7885872 GRMSSFFGRCQEJK-KRWDZBQOSA-N 310.353 3.130 0 40 DGAB Cc1cc(=O)c(C(=O)N(C)Cc2ccc(C(C)(C)C)cc2)c[nH]1 81229272 GRGYXKRJKXUJIR-UHFFFAOYSA-N 312.413 3.253 0 40 DGAB Cc1nn(C)c(C)c1CN[C@@H](C)c1ccc(-n2ccnc2)cc1 7984437 MKLMIDYWXKRXGJ-ZDUSSCGKSA-N 309.417 3.073 0 40 DGAB Cc1ccc2cc(C(=O)N3CCC[C@H]3[C@H]3CCCN3C)[nH]c2c1 69490170 HXIZDZJKZAOJEA-MSOLQXFVSA-N 311.429 3.175 0 40 DGAB C[C@H](C(=O)N(C)c1ccccc1)[S@](=O)Cc1ccc(F)cc1 71859215 BCBMMJLHJPYWPQ-DMZKTXOQSA-N 319.401 3.126 0 40 DGAB Cc1cc(C(=O)N2CCO[C@@H]3CCC[C@H]32)c2ccc(F)cc2n1 71831291 MROIBMSKPADZJO-IAGOWNOFSA-N 314.360 3.076 0 40 DGAB COCCSc1ccc([C@H](C)NC(=O)c2ccc[nH]2)cc1 69770740 ZPKQRGSYFFIQQG-LBPRGKRZSA-N 304.415 3.244 0 40 DGAB CCN(Cc1ccoc1)C(=O)N[C@H](C)Cc1cccc(OC)c1 71903210 GNRRBRJROFUUAV-CQSZACIVSA-N 316.401 3.451 0 40 DGAB Cc1c(C(=O)Nc2ccc(Cl)cc2)cnn1-c1ccccn1 8715136 KBWJPUHSWOZSPN-UHFFFAOYSA-N 312.760 3.481 0 40 DGAB C[C@H](OC(=O)c1cccn1C)C(=O)C12CC3CC(CC(C3)C1)C2 8773502 MYFYHOIXFXVCNU-UHSVVUDUSA-N 315.413 3.356 0 40 DGAB CSc1c(Cl)cccc1NC(=O)N1CCC[C@H](O)C1 97010150 OGOWUTPPWYTSOA-VIFPVBQESA-N 300.811 3.051 0 40 DGAB O=C(Nc1ccc2[nH]ccc2c1)N(CCO)C1CCCCC1 97113210 NROFXYLUJSDZAX-UHFFFAOYSA-N 301.390 3.327 0 40 DGAB C[C@H](CCc1cccc(F)c1)N1CCC[C@@H]1c1nncn1C 97371300 FYIHINSFRYPNKM-CZUORRHYSA-N 302.397 3.112 0 40 DGAB CC(C)(C)n1ccc(NC(=O)C[C@@H]2OCCc3ccccc32)n1 95397486 IXLDFABLIUEGMA-HNNXBMFYSA-N 313.401 3.281 0 40 DGAB C[C@@H](NC(=O)CCc1ccccn1)c1cccc(N2CCCC2)c1 84656063 GQDQLQTVYSCAHV-MRXNPFEDSA-N 323.440 3.492 0 40 DGAB COCc1nc(CN(Cc2ccccc2)CC(C)(C)O)cs1 95463099 HJJOQKTWRMCDPZ-UHFFFAOYSA-N 320.458 3.063 0 40 DGAB Cc1c(C(=O)N2C[C@H]3CCCC[C@]32c2ccccc2)cnn1C 95427290 WECXMDCCMBOFPG-APWZRJJASA-N 309.413 3.270 0 40 DGAB Cc1cc(CC(=O)N(CC(F)F)c2cccc(Cl)c2)no1 84805584 MMWDDBPZXALLDB-UHFFFAOYSA-N 314.719 3.477 0 40 DGAB CC(C)N(C(=O)NCc1cnn(C)c1)c1ccc(F)cc1Cl 95964327 YGABMHYULOZSNJ-UHFFFAOYSA-N 324.787 3.337 0 40 DGAB CC(C)C[C@@H](NC(=O)N1CC[C@@H](CN(C)C)C1)c1ccccc1 129340301 UBCBQQPXDJUDFE-FUHWJXTLSA-N 317.477 3.367 0 40 DGAB COCCNC(=S)c1ccccc1OCc1ccccc1 408576032 PJERGIXFRJCJPE-UHFFFAOYSA-N 301.411 3.177 0 40 DGAB COc1cc2c(cc1O)CCN(C(=O)c1occc1C)[C@H]2C 4038511 JEDACXUYDQWADO-NSHDSACASA-N 301.342 3.062 0 40 DGAB biogenic O=C(O)c1conc1[C@H](O[C@H]1CCCCO1)c1ccccc1 504659477 CTEKQMBDOVQCNP-DZGCQCFKSA-N 303.314 3.005 0 40 DGAB COc1cccc(N[C@H](C(=O)N2CCCC2)c2ccccc2)c1 39987663 YYYCEGZCUYABBR-SFHVURJKSA-N 310.397 3.471 0 40 DGAB CCOC(=O)c1c(N)sc(C(=O)c2ccccc2C)c1C 35655374 VHBJNXRUDVWHSG-UHFFFAOYSA-N 303.383 3.355 0 40 DGAB Cc1ncsc1-c1nnc(N2CC[C@](C)(F)C2)n1CC(C)C 563122385 DEENWFJYCHNORS-HNNXBMFYSA-N 323.441 3.304 0 40 DGAB CCC(=O)N(Cc1ccccc1)[C@H](CC)C(=O)N[C@@H](C)CC 225490801 DWXSVEDKFUITKJ-GOEBONIOSA-N 304.434 3.119 0 40 DGAB CC[C@H]1CCCCN1CCCNC(=S)Nc1ccncc1 225585115 BNKXBYOHYIKAKJ-HNNXBMFYSA-N 306.479 3.023 0 40 DGAB CCN(C(=O)c1cccc(OC)n1)[C@H](c1cccnc1)C(C)C 84096232 MQSBZMSGUOXTIW-KRWDZBQOSA-N 313.401 3.345 0 40 DGAB CC(C)c1ccc2oc(-c3ccc(OCC(N)=O)cc3)nc2c1 226295426 OYNYNRDRYUEPIE-UHFFFAOYSA-N 310.353 3.482 0 40 DGAB CC1CCN(C(=O)CCc2nc(-c3cccc(F)c3)no2)CC1 225800731 ROYYQVBXZZYCRW-UHFFFAOYSA-N 317.364 3.067 0 40 DGAB C[C@@H]1CSc2ccccc2CN1C(=O)CCOCC(F)F 225635825 XXVAVMBIHDKJJT-LLVKDONJSA-N 315.385 3.181 0 40 DGAB CC(C)(C)c1nnc([C@H]2CCN(Cc3ccc(F)cc3)C2)o1 49170630 RSMYUBVGQFPBEH-ZDUSSCGKSA-N 303.381 3.496 0 40 DGAB biogenic,in-vitro O=C(C1CCCC1)N1CCC(O)(c2ccccc2Cl)CC1 192404487 YDIDWFNFRPJICT-UHFFFAOYSA-N 307.821 3.340 0 40 DGAB Cc1cc(OCC(=O)N2CCCCC[C@H]2c2ccc(C)o2)no1 96414209 JMZFJRVLDHTBNP-AWEZNQCLSA-N 318.373 3.407 0 40 DGAB Cc1ccccc1CN1C[C@H]2CN(C(=O)Nc3ccccc3)C[C@@H]21 96244933 NBHPFSUAVZIGRN-HKUYNNGSSA-N 321.424 3.343 0 40 DGAB CO[C@H]1CCCCC[C@@H]1NC(=O)c1csc([C@@H]2CCCO2)n1 96484884 BZHZBXULXUEXPU-UBHSHLNASA-N 324.446 3.072 0 40 DGAB CCOC(=O)CCCOc1cc(Br)ccc1OC 95738557 FPUUCDXLWDWARV-UHFFFAOYSA-N 317.179 3.180 0 40 DGAB CC(=O)N1CCC[C@@]2(CCN(Cc3ccc(Cl)c(F)c3)C2)C1 96215508 MDTGNPJNVQHEEI-KRWDZBQOSA-N 324.827 3.314 0 40 DGAB C[C@@H]1OCC[C@]1(C)NC(=O)c1ccc(-c2ccccc2F)o1 332223380 ZAFLASWCWZQRCU-GTNSWQLSSA-N 303.333 3.383 0 40 DGAB O=C(O)[C@@H](Sc1nncn1-c1ccccc1)c1ccccc1 96305864 YXCOLNDMLVXWBI-AWEZNQCLSA-N 311.366 3.185 0 40 DGAB Cc1ccc(C2=NN(C(N)=S)[C@H](c3ccc(O)cc3)C2)cc1 252487894 IDLUPYWGNQWNRI-INIZCTEOSA-N 311.410 3.095 0 40 DGAB CC(=O)N1CCC(Cc2ccnc(-c3nc(C)cs3)c2)CC1 257273695 NHTDPFBWMVOAQV-UHFFFAOYSA-N 315.442 3.315 0 40 DGAB CN(Cc1ccc(OCCF)cc1)C[C@H](O)c1ccccc1 257321824 WDJRTGRRKWDVPA-SFHVURJKSA-N 303.377 3.200 0 40 DGAB Cn1nc(CNCc2cccc(F)c2F)cc1C(F)(F)F 256051893 KYLQGKDQCTWKDQ-UHFFFAOYSA-N 305.250 3.007 0 40 DGAB Cc1nc2sccn2c1CN1CCCC[C@H]1c1ccn[nH]1 257217851 DAWMDPRPCGVOOR-ZDUSSCGKSA-N 301.419 3.155 0 40 DGAB Cc1ccnc([C@H]2CCN(CC3=Cc4ccccc4OC3)C2)n1 257210866 BWLTXSFOVVWJON-KRWDZBQOSA-N 307.397 3.050 0 40 DGAB Cc1ccc(CN(c2ccccc2)[C@@H]2C=CS(=O)(=O)C2)cc1 575421904 SSUZKXCUCYEVGN-GOSISDBHSA-N 313.422 3.312 0 40 DGAB CCc1c(C)[nH]c2cc(I)ccc2c1=O 685938740 VHYPVLQSIKMVEO-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB COc1ccc(C(=O)C2CCN(CCc3ccccn3)CC2)cc1 73350467 HNMNQECBQAIACD-UHFFFAOYSA-N 324.424 3.228 0 40 DGAB CC(C)NC(=O)Nc1nnc(C(C)(C)c2ccccc2)s1 78544960 AXFTUJFXOXOALI-UHFFFAOYSA-N 304.419 3.394 0 40 DGAB CN(CCc1ccccn1)Cc1nccn1Cc1ccccc1 75915560 MRTHEEPLBYYUSX-UHFFFAOYSA-N 306.413 3.001 0 40 DGAB CC(C)Cn1c(=O)c(-c2ccc(C(=O)O)cc2)nc2ccccc21 85347517 PGYBXVIIRBTDIW-UHFFFAOYSA-N 322.364 3.418 0 40 DGAB CC[C@H]1CN(C(=O)C2CC2)CC[C@@H]1NC/C=C/c1ccccc1 95402518 BIXNSERVGIJITQ-ZOZJGFRFSA-N 312.457 3.327 0 40 DGAB CCc1nc(C[C@H](C)n2cc(Cl)cn2)sc1C(=O)OC 95431575 KJMKQJGMZQZHBQ-QMMMGPOBSA-N 313.810 3.146 0 40 DGAB O=C(Oc1ccc2c(c1)OCO2)c1ccccc1OC(F)F 5577174 CPLBMJWYBIHFLV-UHFFFAOYSA-N 308.236 3.236 0 40 DGAB CCn1ccc(NC(=O)CC2CCN(C3CCCCC3)CC2)n1 19748899 QXHLJWKFMNETEY-UHFFFAOYSA-N 318.465 3.276 0 40 DGAB O=C(c1ccc(F)cc1)[C@H]1CCCN(Cc2cscn2)C1 157585828 PPRAEZAYTAFKPW-ZDUSSCGKSA-N 304.390 3.377 0 40 DGAB CCN(CC)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)O)cc1 2737739 CRZMVVBSYZLCHT-HZPDHXFCSA-N 316.401 3.138 0 40 DGAB c1cncc(CSc2nnc(-c3ccc4c(c3)OCO4)o2)c1 1378764 USVDJJRQVPXKTG-UHFFFAOYSA-N 313.338 3.153 0 40 DGAB CS(=O)(=O)N(Cc1c(F)cccc1Cl)c1ccccc1 4664624 XHFWTZYAJSVSHJ-UHFFFAOYSA-N 313.781 3.445 0 40 DGAB Cc1ccc(CC(=O)N2CCC[C@H](c3n[nH]cc3C)C2)s1 2037684436 PMOQVDAMZSCQHX-ZDUSSCGKSA-N 303.431 3.037 0 40 DGAB CCn1cc(NC(=O)N(C)C2CCN(C)CC2)c2ccccc21 5265903 QJBVWBNIZBMUTA-UHFFFAOYSA-N 314.433 3.219 0 40 DGAB COc1ccc(/C=C/C(=O)Nc2ccc3cn[nH]c3c2)cc1OC 42383379 XCTAFSHPLBLDFS-XBXARRHUSA-N 323.352 3.232 0 40 DGAB Cc1nnc(N2CCN(c3cccc4sccc34)CC2)s1 2298065709 ZADGFQHBPKFKHP-UHFFFAOYSA-N 316.455 3.388 0 40 DGAB S=C(NCc1ccccc1)C(=S)NCc1ccccc1 17729145 KNRMURHAZMNRGD-UHFFFAOYSA-N 300.452 3.221 0 40 DGAB COc1ccc(OC)c(NC(=O)N[C@H](C)c2ccc(C)o2)c1 40526053 OMBWWDXIDZKALW-LLVKDONJSA-N 304.346 3.488 0 40 DGAB O=C(NC[C@H]1CCOC1)c1sc2cc(F)ccc2c1Cl 40514317 QCWFQYKKWWVYMS-MRVPVSSYSA-N 313.781 3.460 0 40 DGAB CC(=O)c1ccc(NC(=O)CCN2C[C@H](C)C[C@@H](C)C2)cc1 22197839 PYBDPZPOURMNON-ZIAGYGMSSA-N 302.418 3.196 0 40 DGAB Cc1nccn1-c1ccc(NC(=O)COC2CCCC2)cc1F 54217175 RSRXUOAXBUQWOB-UHFFFAOYSA-N 317.364 3.218 0 40 DGAB CCOC(=O)c1cc(NC(=O)c2ccc(Cl)cc2)ccc1O 1006554 SNLZUAODDRXKCM-UHFFFAOYSA-N 319.744 3.475 0 40 DGAB Cc1ccc(-n2nnnc2SCC(=O)c2ccccc2)c(C)c1 146071 REHKCBGPKQWZRM-UHFFFAOYSA-N 324.409 3.254 0 40 DGAB COc1ccc(C2=N/C(=C/c3ccccc3OC)C(=O)O2)cc1 430744 CEBHOMRFEPVNQZ-RVDMUPIBSA-N 309.321 3.048 0 40 DGAB Cc1nnc(O)c2nn(-c3cccc(C(F)(F)F)c3)c(C)c12 1016733 CNVCNJHKPPSWTR-UHFFFAOYSA-N 308.263 3.157 0 40 DGAB CCCc1ccc(C(=O)C[C@]2(O)C(=O)Nc3ccccc32)cc1 1320279 IRQINRJAPSXQQH-LJQANCHMSA-N 309.365 3.052 0 40 DGAB O=C(c1ccc(-n2ccnc2)cc1)c1ccc(-n2ccnc2)cc1 1395741 WEJBQDJZUZWTFJ-UHFFFAOYSA-N 314.348 3.289 0 40 DGAB c1ccc(-c2nnc(-c3ccccc3)c(N3CCOCC3)n2)cc1 1397769 WDAXVJAQZSHLLF-UHFFFAOYSA-N 318.380 3.042 0 40 DGAB CCCOc1ccc(C(=O)CCN[C@@H](C(=O)O)[C@H](C)CC)cc1 2123961 HUCCTPWTIDKIRB-CXAGYDPISA-N 321.417 3.137 0 40 DGAB biogenic Cc1ccc(NC(=O)N2CCN(c3ccccc3F)CC2)cc1 2380346 AHOLQRLMRQUHAF-UHFFFAOYSA-N 313.376 3.488 0 40 DGAB CN(C)[C@H](CNC(=O)c1ccc2ccccc2c1)c1ccco1 3355232 KYCLCCPZCWREJX-QGZVFWFLSA-N 308.381 3.466 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2ccc(Cl)cc2)cc1 5188749 GLUZVLKAPGRNSB-UHFFFAOYSA-N 323.801 3.061 0 40 DGAB CCC[C@@H]1NC(=O)N(c2ccccc2)C(C)=C1C(=O)OCC 6138963 OSXCMRQTOFACGV-AWEZNQCLSA-N 302.374 3.222 0 40 DGAB COc1cc(-c2nnc(SC(C)C)o2)cc(OC)c1OC 6539100 DJXJMHRBUDJYML-UHFFFAOYSA-N 310.375 3.263 0 40 DGAB Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)nc1 6623299 OLJLVUAXMNKYQC-UHFFFAOYSA-N 317.197 3.498 0 40 DGAB CC(C)CN1C(=O)N[C@](C)(c2ccc(Cl)cc2Cl)C1=O 7005560 VSVVLUXWSIJGQU-CQSZACIVSA-N 315.200 3.416 0 40 DGAB CC(C)NC(=O)[C@H](C)Sc1ncc(-c2ccccc2)n1C 7131183 ISRUHBPJEHPXTD-LBPRGKRZSA-N 303.431 3.092 0 40 DGAB COc1ccc(F)cc1Cn1cnc2ccc(Cl)cc2c1=O 7440819 RTYPZIDXGNKSEC-UHFFFAOYSA-N 318.735 3.246 0 40 DGAB COC(=O)c1c(C)[nH]c(-c2nc(N3CCCC3)sc2C)c1C 7643664 PLQMEIFGOWYLNH-UHFFFAOYSA-N 319.430 3.450 0 40 DGAB COC(=O)c1ccc(NC(=O)c2nc3ccccc3s2)cc1 8092339 UNCUBPWJCFFXQF-UHFFFAOYSA-N 312.350 3.335 0 40 DGAB O=C1c2ccccc2N[C@@H](c2ccsc2)N1C[C@@H]1CCCO1 8157103 JDDCBTJSGZXWKX-XJKSGUPXSA-N 314.410 3.494 0 40 DGAB CC[C@@H](CO)NCc1cccc(OC)c1OCc1ccccc1 8326393 DHOBTIHPTGHNRS-KRWDZBQOSA-N 315.413 3.135 0 40 DGAB c1ccc(Oc2ccc(Nc3ccc4nnnn4n3)cc2)cc1 8725962 YYKSIYGVVLYYKT-UHFFFAOYSA-N 304.313 3.055 0 40 DGAB Cc1ccc(N2C[C@@H](CNC(=O)CC3CCCC3)CC2=O)cc1 8985210 WSKSYGYHKBNBAA-MRXNPFEDSA-N 314.429 3.044 0 40 DGAB Cc1ccc(CN2C(=O)N[C@](C)(c3ccc(C)cc3)C2=O)cc1 9256441 MHXZQJNVACIHGJ-LJQANCHMSA-N 308.381 3.271 0 40 DGAB COC(=O)c1ccc(CSc2nc(-c3cccs3)n[nH]2)o1 9515034 MIDZGWNHKQLYEO-UHFFFAOYSA-N 321.383 3.205 0 40 DGAB C[C@@H](C(=O)Nc1cccc(F)c1)N1CCc2sccc2C1 10767353 BTMSCLORTBIBLI-NSHDSACASA-N 304.390 3.273 0 40 DGAB O=C(NCc1coc(-c2cccs2)n1)c1ccccc1O 10874792 XWZCYRPWRVRTAH-UHFFFAOYSA-N 300.339 3.039 0 40 DGAB CCc1[nH]c(C(=O)Nc2ccc(F)cc2)c(C)c1C(=O)OC 11593266 AFUUNHDRXUCIBK-UHFFFAOYSA-N 304.321 3.064 0 40 DGAB COc1ccccc1OCCCn1c(C=O)nc2ccccc21 11735052 SGYRMFLWRQEERJ-UHFFFAOYSA-N 310.353 3.327 0 40 DGAB CCCC(=O)N[C@H]1CC(C)(C)Cc2nc(-c3cccnc3)ncc21 12236742 VFCDICBMVCJDRD-HNNXBMFYSA-N 324.428 3.468 0 40 DGAB O=C(NCCC1=CCCCC1)N1CCN(c2ccccc2)CC1 17116959 HHYVNUXEEDGMIJ-UHFFFAOYSA-N 313.445 3.409 0 40 DGAB Cc1ccc(C)c(N2C(=O)C[C@H](Nc3ccccc3F)C2=O)c1 18077876 SXIZUOAFHDFAPU-HNNXBMFYSA-N 312.344 3.187 0 40 DGAB CCOC(=O)Cn1ccc2ccnc(-c3cccc(OC)c3)c21 19530590 QLIOSJJEWZRHQT-UHFFFAOYSA-N 310.353 3.275 0 40 DGAB COc1ccc(NC(=O)c2cc(N)ccc2Cl)c(OC)c1 20194202 CGFXVMHKEDPOHC-UHFFFAOYSA-N 306.749 3.192 0 40 DGAB O=C(COc1ccccc1Cl)Nc1ccc2[nH]ncc2c1 20497461 GEPVKHTUVHXOOG-UHFFFAOYSA-N 301.733 3.234 0 40 DGAB O=C(c1ccc2cc[nH]c2c1)N1CCN(Cc2ccccc2)CC1 20621836 SKIRJZLALIKBIN-UHFFFAOYSA-N 319.408 3.126 0 40 DGAB CC(=O)Nc1ccc(CNC(=O)c2cccc(Cl)c2)cc1 21133350 IMGCQGNIMBCKPI-UHFFFAOYSA-N 302.761 3.228 0 40 DGAB O=C(NC(=S)Nc1ccccc1S)c1cccc(F)c1 21596227 RFFSAGNNVXUDGL-UHFFFAOYSA-N 306.387 3.241 0 40 DGAB Cn1cc(NC(=O)c2csc(-c3ccc(Cl)cc3)n2)cn1 24585458 XWYYUBKYHWDMKR-UHFFFAOYSA-N 318.789 3.449 0 40 DGAB O=C(N[C@H]1CCOc2ccccc21)N[C@@H]1CCOc2ccccc21 25053691 ZVGVZAUBIVPWOU-IYBDPMFKSA-N 324.380 3.333 0 40 DGAB C[C@H](CCCC(C)(C)O)N[C@@H]1CCN(c2ccc(F)cc2)C1 32529736 RHZUSEZBRZQAGM-GDBMZVCRSA-N 308.441 3.324 0 40 DGAB Cc1cccc(C(=O)NCCC(=O)N[C@H](C)CCC(C)C)c1 32958681 HOFOFJXCQLQQGU-OAHLLOKOSA-N 304.434 3.056 0 40 DGAB O=C(NCC1(c2ccccc2)CCOCC1)c1ccsc1 38591713 AJZXKEFJBIDXKG-UHFFFAOYSA-N 301.411 3.226 0 40 DGAB Cc1cccc(C)c1NC(=O)C(=O)NCc1cccc(Cl)c1 42646457 ZKPITDYIZAENPA-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB O=C(NC[C@H]1CCOC1)c1csc(-c2cccc(Cl)c2)n1 42726939 KSFZGYLPXCPWDX-SNVBAGLBSA-N 322.817 3.230 0 40 DGAB CC(C)CN(C(=O)Nc1cccc(-c2nnco2)c1)C1CC1 44085131 MPZSSLPZXWUORW-UHFFFAOYSA-N 300.362 3.389 0 40 DGAB O=C(CC[C@H]1CCCO1)N1CCC[C@H]1c1nc2ccccc2[nH]1 46178511 YVFYQHOSIDQSNS-CJNGLKHVSA-N 313.401 3.186 0 40 DGAB CC(C)CCOC1CCN(Cc2noc(-c3ccco3)n2)CC1 48250961 AYUIXBGBNMVBOT-UHFFFAOYSA-N 319.405 3.357 0 40 DGAB Cc1ccc2cc(COC(=O)c3cc[nH]n3)c(Cl)nc2c1 48374962 XGNQWFJKWBCLHX-UHFFFAOYSA-N 301.733 3.277 0 40 DGAB CN(Cc1nnc2ccccn12)C(=O)c1cc2ccccc2s1 58225341 QUGCKBRJHRBUGG-UHFFFAOYSA-N 322.393 3.216 0 40 DGAB Cc1ccccc1NCCC(=O)Nc1ccc(-n2nccn2)cc1 58251821 PLTFSEADPYIXJL-UHFFFAOYSA-N 321.384 3.016 0 40 DGAB O=C(c1ccc2[nH]cnc2c1)N1CCC(OC2CCCC2)CC1 58421432 YTJOKMCXBWPLLA-UHFFFAOYSA-N 313.401 3.127 0 40 DGAB O=C(Nc1cc[nH]n1)c1cc(-c2ccco2)nc2ccccc12 63496939 LSXCSRIRHKHVFM-UHFFFAOYSA-N 304.309 3.470 0 40 DGAB O=C(C[C@@H]1CCCO1)Nc1ccnc(Sc2ccccn2)c1 65493624 RXBDQTOIKRXOKL-ZDUSSCGKSA-N 315.398 3.135 0 40 DGAB O=C(NCc1cccs1)N1CCO[C@H](c2cccc(F)c2)C1 67036340 YDBHWAXGIZIHEH-HNNXBMFYSA-N 320.389 3.170 0 40 DGAB COc1ccc(C(C)=O)c(O[C@H](C)C(=O)N(C(C)C)C(C)C)c1 68934236 SRDHSQXEXSORQX-CQSZACIVSA-N 321.417 3.311 0 40 DGAB COc1ccc(CC[C@H]2CCCCN2C(=O)C2CC2)cc1OC 69433514 QPGJJEWNPOPAOV-MRXNPFEDSA-N 317.429 3.428 0 40 DGAB Cc1nc(NC2CCCCC2)sc1C(=O)NC[C@@H]1CCCO1 71326733 CAIOWEPLNJOROW-ZDUSSCGKSA-N 323.462 3.105 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@@H]1C1CCCC1 71836479 RGDQRFKRJXXADN-QGZVFWFLSA-N 324.424 3.183 0 40 DGAB CC(C)OCc1cccc(S(=O)(=O)N(C)Cc2ccco2)c1 72264793 RLPNAXMFROLRMB-UHFFFAOYSA-N 323.414 3.025 0 40 DGAB CCc1c(C)nc2cc(-c3ccco3)nn2c1N[C@H](C)COC 72396856 HCOKFVPDAQUDOM-LLVKDONJSA-N 314.389 3.307 0 40 DGAB O=C(c1nccn2ccnc12)N(Cc1ccccc1)CC1CCC1 73058373 RPTLZJHBDKXHBK-UHFFFAOYSA-N 320.396 3.172 0 40 DGAB Clc1ccc2c(N3CCO[C@@H]4CCCC[C@@H]43)ncnc2c1 75103505 PMLGQPZVNQQXIP-LSDHHAIUSA-N 303.793 3.431 0 40 DGAB CCOC(=O)[C@@H](C)CNC(=O)Nc1ccc(C(F)(F)F)cc1 75105151 IWJZCTIOQYGBCV-VIFPVBQESA-N 318.295 3.026 0 40 DGAB CSc1ccccc1C(=O)NC[C@](O)(c1ccco1)C1CC1 75154891 UYCVTXKMQIHBDB-QGZVFWFLSA-N 317.410 3.029 0 40 DGAB Cc1ccc([C@H]2C[C@@H](C)CCN2Cc2cc(=O)c(O)co2)o1 76120583 QZROQFRMADJREK-SMDDNHRTSA-N 303.358 3.220 0 40 DGAB CCc1ccc(/C(C)=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)cc1 78878036 QZLIYJMLOINPLJ-ZRDIBKRKSA-N 321.380 3.461 0 40 DGAB Cc1ccc(CCC(=O)N(CCN(C)C)Cc2ccco2)cc1 79071213 XHHFHFFPWBLFES-UHFFFAOYSA-N 314.429 3.111 0 40 DGAB Cc1nnc([C@H](C)OC(=O)c2sc(C)cc2OC(F)F)o1 79350266 WTCGDBIBXCLDCY-LURJTMIESA-N 318.301 3.267 0 40 DGAB O=C(NCc1ccncc1)Nc1ccc(OC2CCC2)c(F)c1 84350524 DJZUAGOBWRFTDG-UHFFFAOYSA-N 315.348 3.474 0 40 DGAB CCC[C@H]1CCCN(C(=O)[C@H](NC(C)=O)C2CCCC2)CC1 84740672 DNNPNTPFXIJCKK-DOTOQJQBSA-N 308.466 3.110 0 40 DGAB CCS[C@@H]1CC[C@@H](NC(=O)N(C)Cc2ccc(O)cc2)C1 84811818 XXTMEYOMNAYPBV-UKRRQHHQSA-N 308.447 3.208 0 40 DGAB O=C(NCCCc1ccccc1)Nc1ccc(-n2ccnc2)nc1 85557691 SOMLATAYDUNHFJ-UHFFFAOYSA-N 321.384 3.022 0 40 DGAB CCn1c(Cc2ccccc2)nnc1SCc1ncc(C)o1 89302541 VAXVTJCRCVJBGX-UHFFFAOYSA-N 314.414 3.478 0 40 DGAB COC(=O)c1ccccc1NC(=O)N1CCC[C@H]1c1ccc[nH]1 89406997 WLENNGFQMJJRAR-HNNXBMFYSA-N 313.357 3.170 0 40 DGAB COc1ccc(-c2nnc(CSC3=N[C@@H](C)CS3)o2)cc1 89524235 JSUYMTGPZQUGPS-VIFPVBQESA-N 321.427 3.470 0 40 DGAB Cc1csc(N2CCCN(C(=O)C3CCCCCC3)CC2)n1 89705728 NDZIUJIJQZOHMC-UHFFFAOYSA-N 321.490 3.461 0 40 DGAB Clc1cccc2c1CC[C@H]2N1CCC(n2cncn2)CC1 89800157 SKGNCCQATYJOAY-MRXNPFEDSA-N 302.809 3.256 0 40 DGAB C[C@@H](NC(=O)[C@@H]1CCn2cncc2C1)c1ccc2c(c1)CCCC2 89905077 DONYXZBBCDHTPY-RDTXWAMCSA-N 323.440 3.202 0 40 DGAB Cn1c(CSCc2nccs2)nnc1-c1ccccc1 91037031 MNHZENWIFHQTSX-UHFFFAOYSA-N 302.428 3.372 0 40 DGAB CC(C)(C)OC(=O)NC(C)(C)C(=O)NCCCc1ccccc1 91690298 XASWGQCOHGQOKX-UHFFFAOYSA-N 320.433 3.039 0 40 DGAB COc1ccc(C)cc1CSCC(=O)Nc1c(C)n[nH]c1C 95412706 WBRCKSYJAVUGGQ-UHFFFAOYSA-N 319.430 3.215 0 40 DGAB CN(C)C(=O)CCC[S@@](=O)Cc1cc(Cl)ccc1Cl 95413690 JJTUQAXSAJTWPI-IBGZPJMESA-N 322.257 3.111 0 40 DGAB O=C(NCCc1c(F)cccc1Cl)c1cnc2ccccn12 95417064 GZRGPVUWNUTIFV-UHFFFAOYSA-N 317.751 3.099 0 40 DGAB O=C(Nc1ccccc1OC(F)(F)F)c1cccc2nccn12 95428274 GXPLDYMBPCGYBI-UHFFFAOYSA-N 321.258 3.485 0 40 DGAB Cc1noc(C)c1CCCNC(=O)N1CC[C@H](C)C[C@@H](C)C1 95434939 YVCIXZQXJLMJNZ-QWHCGFSZSA-N 307.438 3.302 0 40 DGAB CCC[C@@](C)(NCc1cccc2c1OC(C)(C)C2)C(=O)OC 95467741 ICGMNILIYIGSHT-GOSISDBHSA-N 305.418 3.222 0 40 DGAB O[C@H](CNc1ncc(Cl)cn1)c1ccc(Cl)c(F)c1 95977482 VKQIUXVWDQNKAB-LLVKDONJSA-N 302.136 3.068 0 40 DGAB Cc1cccc(COC[C@@]23CCC[C@@H]2CN(c2ncccn2)C3)n1 96209576 DGDLRYAITWTUGD-APWZRJJASA-N 324.428 3.003 0 40 DGAB C[C@H](NC(=O)c1n[nH]c2c1CCCCC2)c1nc2ccccc2[nH]1 96231414 VNAWIHYKYQKXIO-NSHDSACASA-N 323.400 3.046 0 40 DGAB Cc1cccc(O[C@@H](C)CNC(=O)N[C@@H](C)c2nccs2)c1 96439971 JDSLUIYTBYIGKW-STQMWFEESA-N 319.430 3.279 0 40 DGAB CSC[C@H](CCO)N[C@H](C)c1ccc(Br)s1 96478191 LAKLVMFWLRGXAG-BDAKNGLRSA-N 324.309 3.275 0 40 DGAB CO[C@@H](C)CCC(=O)NCc1cc(F)cc(Br)c1 96501003 QJEKGSUPCLRELC-VIFPVBQESA-N 318.186 3.020 0 40 DGAB CC[C@@](Cl)([C@H](O)c1cccc(Cl)c1)S(=O)(=O)CC 96520672 QIRYJGCOFSMUMQ-NEPJUHHUSA-N 311.230 3.153 0 40 DGAB C[C@@H](C(=O)N[C@H](CC(=O)O)c1ccc(F)cc1)c1cccs1 97017494 CMUHGFYGNIOKOS-ZWNOBZJWSA-N 321.373 3.323 0 40 DGAB CSc1ccc(NC(=O)[C@H](C)N[C@@H](C)c2ccncc2)cc1 97084037 BZIXENADTDHBAX-STQMWFEESA-N 315.442 3.481 0 40 DGAB COC(=O)[C@@H](N[C@@H](C)c1cc2ccccc2o1)c1cccnc1 97111333 BAXGUVMMOXFJHE-SJCJKPOMSA-N 310.353 3.393 0 40 DGAB CCN(C(=O)c1cccnc1C)[C@H]1CCN(Cc2ccccc2)C1 97137923 CMAAVFBAVXTVQF-SFHVURJKSA-N 323.440 3.127 0 40 DGAB CN(Cc1ccn(C)n1)C(=O)C12CC3C[C@](C)(C1)C[C@](C)(C3)C2 102598104 QUHKYJUUBKJYQR-MJGSYPLASA-N 315.461 3.375 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)[C@H]2C[C@H]3CC[C@H]2C3)c1C 107347605 KSOCSNYPCANROX-KKUMJFAQSA-N 302.418 3.102 0 40 DGAB Cc1nc(C2(NCc3nc(C(F)(F)F)cs3)CCC2)no1 188507488 PVGZBJFKRVDNPR-UHFFFAOYSA-N 318.324 3.022 0 40 DGAB CCCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)C(C)C 222910524 WWODNSFTKNJPBB-AWEZNQCLSA-N 322.424 3.115 0 40 DGAB COc1ccc(C[C@H](Oc2ccccc2C)C(=O)O)c(OC)c1 225111610 YFUYLQHIXPPXCE-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB COc1ccc(-c2ccc(C(=O)N3CCC[C@H](C)C3)o2)c(N)c1 226304879 MPUCKBDJENILAW-LBPRGKRZSA-N 314.385 3.410 0 40 DGAB Cc1cc(-c2cc3ccccc3c(=O)o2)ccc1OCC(=O)O 256027818 DPIOOXQVZBQGIW-UHFFFAOYSA-N 310.305 3.232 0 40 DGAB CC(C)N1CCC(c2cccc(N3C[C@H](C)OC3=O)n2)CC1 257223848 DZEOIJKPRDIARC-ZDUSSCGKSA-N 303.406 3.015 0 40 DGAB O=C(c1cc[nH]n1)N1CCC[C@@H](Cc2cccc3cccnc23)C1 257227779 FQVWRTIETAFMQQ-AWEZNQCLSA-N 320.396 3.053 0 40 DGAB Cc1csc(C(=O)NCc2cnc([C@@H]3CCCCO3)nc2)c1 257228253 FTCCABLAAXBFRU-ZDUSSCGKSA-N 317.414 3.018 0 40 DGAB O=C(c1ccncc1)N1C[C@H]2CC[C@H](Cc3ccccc3)[C@H]2C1 257240819 HVHTXMYHBUVABH-GUDVDZBRSA-N 306.409 3.423 0 40 DGAB O=C(c1cccs1)N1CCC[C@@H](c2cccc3nccn23)C1 257302655 SDSPNSINJBDLIZ-CYBMUJFWSA-N 311.410 3.416 0 40 DGAB CCCOCc1nn([C@@H](C)CC)cc1I 408715814 FBQNQAJHGHTZCR-VIFPVBQESA-N 322.190 3.385 0 40 DGAB C[C@@H]1CCn2ncc(C(=O)Nc3cccc4ccncc34)c2C1 514605720 TWTRKTKRZRUFJJ-GFCCVEGCSA-N 306.369 3.266 0 40 DGAB COc1ccc(-c2n[nH]cc2-c2cc(O)ccc2O)cc1OC 524733091 STMPNDJLIZRKNY-UHFFFAOYSA-N 312.325 3.172 0 40 DGAB CC1(C)OC[C@@H]2C[C@@]21NC(=O)Nc1ccc(F)c(C2CC2)c1 529094192 CTKADJJWKCMQRU-APPDUMDISA-N 304.365 3.392 0 40 DGAB C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1Cc1ncc(-c2ccccc2)o1 530180330 XSVSFGBKWQPMBW-AGGWBTHJSA-N 314.385 3.415 0 40 DGAB O=C(Nc1cccs1)N[C@H]1CCN(Cc2ccsc2)C1 606440541 ACVQQCRHQJYZLZ-LBPRGKRZSA-N 307.444 3.206 0 40 DGAB CC1(CNC(=O)N[C@@H]2CCOCC23CCCC3)CC(F)(F)C1 1521919812 XWBFEFOYYBKHQO-GFCCVEGCSA-N 316.392 3.070 0 40 DGAB C[C@@H]1Oc2ccccc2O[C@H]1C(=O)N[C@H](C)c1ccc(F)cc1 1539329503 VGCSMDUEXMKLEI-BWACUDIHSA-N 315.344 3.231 0 40 DGAB O=C(NCc1cccnc1)Nc1ccc(OC(F)F)c(F)c1 47713799 RRGYOGVWYLGQJK-UHFFFAOYSA-N 311.263 3.144 0 40 DGAB CC[C@H](C)c1ccc(NC(=O)C(=O)NCc2ccccc2)cc1 3101872 JVZILIUANKFKMZ-AWEZNQCLSA-N 310.397 3.455 0 40 DGAB CSc1ccc(NC(=O)c2ccc(C)[nH]c2=O)cc1Cl 78985971 RVPFYKSDNNCNHQ-UHFFFAOYSA-N 308.790 3.311 0 40 DGAB Cc1ccc(NC(=O)N[C@@H]2CCCCC[C@H]2C(N)=O)cc1Cl 79097482 VSWJDTBHRIEZFS-TZMCWYRMSA-N 323.824 3.204 0 40 DGAB COC1=C2CC[C@@H]3c4cc(OC)c(OC)cc4CC[N+]3=C2CC1 1581804 WETFZOPPAPSRFR-MRXNPFEDSA-N 314.405 3.243 0 40 DGAB Cc1nnc([C@@H](C)N2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 106828756 SBKSUPGUZNDPLY-QMTHXVAHSA-N 307.781 3.166 0 40 DGAB C[C@@H](C(=O)N1C[C@H](C)C[C@H]1c1cccc(F)c1)n1cccn1 107054563 WGXCDPBUECEFJN-WWGRRREGSA-N 301.365 3.193 0 40 DGAB Fc1ccc(O[C@@H]2OCCO[C@@H]2Oc2ccc(F)cc2)cc1 12559200 LWLFNVVVVQUANV-IYBDPMFKSA-N 308.280 3.122 0 40 DGAB O=C(NC/C=C/Br)N[C@@H]1CCCc2ccccc21 6576108 AZOOAXBXLUHOCJ-QGQQYVBWSA-N 309.207 3.272 0 40 DGAB O=C(CC[S@@](=O)Cc1ccccc1F)Nc1ccccc1 58098690 LMQLDUHOGCJXHV-NRFANRHFSA-N 305.374 3.103 0 40 DGAB CC(=O)Nc1cc(Cl)ccc1NC(=O)c1ccc(O)cc1F 97046568 URVFMJXOKBONDE-UHFFFAOYSA-N 322.723 3.395 0 40 DGAB CCCCC(=O)Nc1nc(-c2ccc(OC)c(OC)c2)ns1 27794187 ROWDXXOYCWHMRT-UHFFFAOYSA-N 321.402 3.351 0 40 DGAB O=C(NCc1cccc(COc2ccccc2)c1)[C@@H]1CCCO1 55990925 CDZXVZWVXJIKKE-SFHVURJKSA-N 311.381 3.061 0 40 DGAB Cc1csc(CCNC(=O)NCc2cc3ccccc3o2)n1 44955801 VTAYTAGRZAJJCT-UHFFFAOYSA-N 315.398 3.240 0 40 DGAB COc1c(CN[C@@H]2CCOc3ccccc32)c(C(C)C)nn1C 58392530 JGDQEELIAOIFDB-OAHLLOKOSA-N 315.417 3.166 0 40 DGAB O=C(O)C[C@H](NC(=O)C[C@H]1C=CCC1)c1ccccc1Cl 58308185 QOMCGUDNJXXAIO-FZMZJTMJSA-N 307.777 3.328 0 40 DGAB Cc1ccc([C@@H](C)N(C)C(=O)c2ccc(N(C)C)nc2)s1 58420482 YOTWLGAKELLIIL-GFCCVEGCSA-N 303.431 3.351 0 40 DGAB O=C(Nc1ccc(F)cc1F)[C@H]1CC(c2cccc(F)c2)=NO1 36760009 LWCRKGXFYRHKEU-OAHLLOKOSA-N 320.270 3.236 0 40 DGAB CCn1cc(CN(C)C(=O)c2cccc(C(F)(F)F)c2)cn1 28222093 YMHTZQQOFLTBBW-UHFFFAOYSA-N 311.307 3.194 0 40 DGAB O=C1CCc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2N1 12694564 DRBIYBVECIGZEN-UHFFFAOYSA-N 306.365 3.312 0 40 DGAB C[C@H]1C[C@H](C)CN(CCCNC(=O)c2c(F)cccc2F)C1 48270440 RXFCIXIOFMVBRA-STQMWFEESA-N 310.388 3.063 0 40 DGAB COc1ccc(C(=O)N[C@H](C)CCc2ccco2)cc1OC 48277184 SETSUBZYMSOVMU-GFCCVEGCSA-N 303.358 3.048 0 40 DGAB CCNC(=O)c1cccc(NC(=O)c2ccc(CSC)o2)c1 12922489 OCXTWYALRSMKSH-UHFFFAOYSA-N 318.398 3.145 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)[C@@H]3CCc4ccccc43)C2)c1 71185775 MRAIFQHOUVTUER-FUHWJXTLSA-N 309.413 3.085 0 40 DGAB CCOc1ccc2nc(SCC(=O)NCCC(C)C)[nH]c2c1 13284302 YCGGLVHQUOUOKX-UHFFFAOYSA-N 321.446 3.216 0 40 DGAB O=C(/C=C/Sc1ccccc1)NCc1ccc2c(c1)OCO2 9156279 BSKCEYVDQWWOBK-CMDGGOBGSA-N 313.378 3.338 0 40 DGAB CC(=O)N1CCc2cc(C(=O)N(C)C3CCCCCC3)ccc21 65550788 FWWXZJHPZSGNFY-UHFFFAOYSA-N 314.429 3.390 0 40 DGAB Nc1cc(N)nc(SCc2csc(-c3ccccc3)n2)n1 6831832 FDGMITOGQMUDJB-UHFFFAOYSA-N 315.427 3.057 0 40 DGAB Cc1ccc(-c2nnn(Cc3ccc(F)cc3Cl)n2)cc1 15128457 ZEHCBEAHPLXDRK-UHFFFAOYSA-N 302.740 3.489 0 40 DGAB O=C(OCc1ncc(-c2ccc(Cl)cc2)o1)c1cnccn1 7120603 XRERGPUFVPWMQT-UHFFFAOYSA-N 315.716 3.142 0 40 DGAB CN(C)c1nccc(CN[C@H]2CC3(CCC3)Oc3ccccc32)n1 96493545 IMGBONTYJZOKBO-INIZCTEOSA-N 324.428 3.079 0 40 DGAB O=C1[C@@H](Sc2ccc(Cl)nn2)CCN1c1ccccc1 68049939 UOKXIMMSAKPWNO-NSHDSACASA-N 305.790 3.028 0 40 DGAB Cc1ccc(-c2cc(C(=O)Nc3cccnc3)[nH]n2)c(O)c1C 15952783 AOFRDQLRHFJYPX-UHFFFAOYSA-N 308.341 3.046 0 40 DGAB Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCc1cccs1 71870314 ZMIDPRJEAHSXEL-OAHLLOKOSA-N 317.458 3.395 0 40 DGAB O=C(N[C@H]1CCSc2ccccc21)c1ccc2c(c1)OCO2 7988809 QXVSWGOSJRSDKY-ZDUSSCGKSA-N 313.378 3.382 0 40 DGAB Cc1n[nH]cc1CNCc1ccccc1CN1CCC[C@@H](C)C1 71819591 IRYVWNWSUMOQGU-OAHLLOKOSA-N 312.461 3.240 0 40 DGAB C[C@@H](OC(=O)c1ccccn1)c1nnc(-c2cccs2)o1 8391319 FSBUBFBDXRCGBD-SECBINFHSA-N 301.327 3.111 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@H](n4cccn4)C3)c[nH]c12 69454615 DIDRFGBFLAGXFH-HNNXBMFYSA-N 322.412 3.404 0 40 DGAB CCOC(=O)c1ccc(Nc2c(C)nn(C(C)C)c2C)nc1 69508698 ABDJOCSEVOHDLF-UHFFFAOYSA-N 302.378 3.396 0 40 DGAB Cc1ccc(CN2CCNC(=O)C[C@H]2c2ccccc2)c(C)c1 92075837 MSIOIUOIXDKCOX-IBGZPJMESA-N 308.425 3.367 0 40 DGAB COc1ccc2ccn(Cc3ncc(C(C)(C)C)o3)c(=O)c2c1 92333472 SKBNGBAMEQSYBE-UHFFFAOYSA-N 312.369 3.344 0 40 DGAB COc1ccc(C(=O)Nc2ccc(C(=O)O)c(O)c2)cc1Cl 20142261 PUYURQRICQHEIJ-UHFFFAOYSA-N 321.716 3.005 0 40 DGAB Cn1nc(-c2ccc(Cl)cc2)cc1C(=O)Nc1ccccn1 72403896 PGKYASMTCUTXIG-UHFFFAOYSA-N 312.760 3.388 0 40 DGAB Cc1ccoc1C(=O)N1CCN([C@H](C)c2ccsc2)CC1 97378462 NHIOJCSSAVWWQB-CYBMUJFWSA-N 304.415 3.169 0 40 DGAB C[C@@H](NCc1ccc(OC2CCCCC2)nc1)c1cnccn1 95421474 WJITVBGIIGUIQZ-CQSZACIVSA-N 312.417 3.434 0 40 DGAB CCN(C(C)=O)c1nc(CN2CCc3sccc3C2)cs1 73298826 VYNUULDNWWZILJ-UHFFFAOYSA-N 321.471 3.136 0 40 DGAB COc1cccc2cc([C@@H](C)NC[C@H](O)c3ccncc3)oc12 95988113 FHCLLKVUKLLMQS-DOMZBBRYSA-N 312.369 3.221 0 40 DGAB COc1ccccc1C1(CN[C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 95987863 KKTTWWYPHKCWET-XKQJLSEDSA-N 301.430 3.130 0 40 DGAB Cc1ccc(CC(=O)Nc2cccc(N3CCCNC3=O)c2)cc1 76066964 BCXKLJDPDSTDPM-UHFFFAOYSA-N 323.396 3.096 0 40 DGAB Cc1cnc(NC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)s1 27975360 JVCBJPLODJATSW-LLVKDONJSA-N 302.399 3.346 0 40 DGAB CCOc1ccc(/C=C2/NC(=O)N(Cc3ccccc3)C2=O)cc1 409195128 PLRFLTHNWLERTI-SFQUDFHCSA-N 322.364 3.178 0 40 DGAB O=S(=O)(Cc1ccccc1)N1[C@H]2CC[C@H]1CC(=C1CC1)C2 675008025 OGVSAIQBZBIEGB-IRXDYDNUSA-N 303.427 3.234 0 40 DGAB Cc1nc(C)c(C(=O)N2CCC[C@@H](c3nccs3)C2)s1 171643015 ZXODWGXHLZNYAT-LLVKDONJSA-N 307.444 3.236 0 40 DGAB O=C(Sc1nnc(COc2ccccc2)o1)c1ccco1 408617662 BARKXGTXOQKBGO-UHFFFAOYSA-N 302.311 3.174 0 40 DGAB CCNC(=O)N[C@H]1C[C@@H](Cc2cc(C(C)(C)C)on2)C1(C)C 67889815 YJGXOBRWQGDLPG-YPMHNXCESA-N 307.438 3.248 0 40 DGAB biogenic,in-vitro O=C(Cn1ccnc1)N1CCc2ccccc2[C@H]1c1ccccc1 515322545 IMBCTDBIGVNSEU-HXUWFJFHSA-N 317.392 3.057 0 40 DGAB O=C(N[C@@H]1CCCOC1)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 78878048 MRVRPVNKYOXPFE-HZSPNIEDSA-N 313.319 3.104 0 40 DGAB CSCc1ccc(Cl)c(NC(=O)N[C@@H](C)[C@@H](C)CO)c1 77715092 QMOMBKLQLXUYAZ-UWVGGRQHSA-N 316.854 3.341 0 40 DGAB Nc1ccc2oc(CCCc3nc4cc(N)ccc4o3)nc2c1 216741338 VWZYYDMKSANXBZ-UHFFFAOYSA-N 308.341 3.309 0 40 DGAB Cc1ccsc1C(=O)NCC(C)(C)NC(=O)OC(C)(C)C 74000594 FGDQETJDZYMULP-UHFFFAOYSA-N 312.435 3.090 0 40 DGAB Cc1ccc(C)c(OCC(=O)NCCSCc2ccco2)c1 218948689 YIZFZXPMIHWWKS-UHFFFAOYSA-N 319.426 3.325 0 40 DGAB CCCc1noc([C@@H]2CCCN(C(=O)NC3CCCCC3)C2)n1 41122413 KPJNQZFPAHDVQK-CYBMUJFWSA-N 320.437 3.244 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(F)cc2C)cc1 45866223 PCJLGYUJMOZVST-UHFFFAOYSA-N 307.390 3.263 0 40 DGAB CCOc1ccc(S(=O)(=O)N(CC)C2CCCCC2)cc1 41095065 INPUNYTVKUZORO-UHFFFAOYSA-N 311.447 3.429 0 40 DGAB COc1ccc2c(c1)OCCC[C@@H]2NCCc1cscn1 225581315 HUZBIMZWMWEDGK-HNNXBMFYSA-N 304.415 3.198 0 40 DGAB O=C(NCc1ccccc1)c1snnc1-c1cccs1 225787091 UDXMKBFLOIEUJJ-UHFFFAOYSA-N 301.396 3.197 0 40 DGAB CS[C@H](C)C(=O)N[C@@H](C)Cc1ccc(Br)cc1 48239742 SKHSVAURMLCMNZ-VHSXEESVSA-N 316.264 3.248 0 40 DGAB Cc1nnc(NC(=O)c2csc(NCCC(C)C)n2)s1 44903715 XOBXWUDICJODNA-UHFFFAOYSA-N 311.436 3.013 0 40 DGAB COCc1cccc(NC(=O)[C@@H](C)Oc2cccc(OC)c2)c1 224429167 XMSVJDNNJSXXTN-CYBMUJFWSA-N 315.369 3.248 0 40 DGAB COc1ccc(OC[C@H](C)NC(=O)NC2CCCCC2)cc1 225754213 QBPGBJLSMHFEOF-ZDUSSCGKSA-N 306.406 3.094 0 40 DGAB C[C@H]1C[C@H](C)CN(C(=O)c2cn(-c3ccc(F)cc3)cn2)C1 227115303 MJERHZWVKLNSOR-STQMWFEESA-N 301.365 3.130 0 40 DGAB CSCC(C)(C)C(=O)NCc1cccc(-c2ncc[nH]2)c1 225735941 BHKUAGASUQGHAJ-UHFFFAOYSA-N 303.431 3.082 0 40 DGAB CC(C)c1nsc(N2CCC(Nc3cccnc3)CC2)n1 96455782 IHTXONJHUNNZBN-UHFFFAOYSA-N 303.435 3.137 0 40 DGAB C[C@H]1CN(C(=O)Nc2ccccc2CC(F)(F)F)CCO1 96435447 HLYDWBBLEDZNCW-JTQLQIEISA-N 302.296 3.044 0 40 DGAB C[C@H](NC(=O)c1ccc2[nH]ccc2c1)[C@H](O)c1ccc(F)cc1 95429975 PICLRCSJYAUICD-GTNSWQLSSA-N 312.344 3.159 0 40 DGAB CC[C@](Cl)(C(=O)c1ccc(Cl)cc1)S(=O)(=O)CC 96518434 VPSMIHKTUIHJCL-GFCCVEGCSA-N 309.214 3.303 0 40 DGAB COC[C@@H]1CCCN(C(=O)C[C@@H](C)c2cccc(OC)c2)C1 96460762 DAKGNGHXKLEDRP-HUUCEWRRSA-N 305.418 3.074 0 40 DGAB O=C(Nc1ccc(Cl)nc1)NC1CCN(C2CCCC2)CC1 96452190 SBPKCZRKCCNJND-UHFFFAOYSA-N 322.840 3.264 0 40 DGAB c1ccc(O[C@H]2COC3(CCN(CC4CCC4)CC3)C2)cc1 96221852 FKOXXDVWEKCZPR-GOSISDBHSA-N 301.430 3.489 0 40 DGAB O=C1CC[C@]2(CCCN(Cc3ccoc3)CC2)N1CC1CC1 96217933 IYTFSWPVZVUGND-SFHVURJKSA-N 302.418 3.037 0 40 DGAB O=C(Nc1cc(-c2ccoc2)nn1-c1ccccc1)[C@H]1CCOC1 65064860 JMTHFCOTVSPWLK-AWEZNQCLSA-N 323.352 3.107 0 40 DGAB CC(C)(C)OC(=O)N1CCCN1C(=O)CCc1ccccc1 96486115 GGRWPKBXXADHAF-UHFFFAOYSA-N 304.390 3.004 0 40 DGAB CCS[C@H]1CC[C@@H](N(C)C(=O)c2csc(COC)n2)C1 96432361 CTVBFAMMUQZPGD-MNOVXSKESA-N 314.476 3.036 0 40 DGAB CC(=O)c1ccc(C(=O)O[C@@H]([C@@H]2CCCO2)C(F)(F)F)cc1 96485257 ACDQHMJCEMUDSB-STQMWFEESA-N 316.275 3.156 0 40 DGAB C[C@@H](CNC(=O)CCc1ccccn1)Oc1ccccc1Cl 96426059 KKUAZOHANXIFQO-ZDUSSCGKSA-N 318.804 3.251 0 40 DGAB O=S(=O)(C[C@H]1CCCCO1)c1cccc(C(F)(F)F)c1 96451859 QXEBFKPQRAJFDZ-LLVKDONJSA-N 308.321 3.048 0 40 DGAB Cc1cc(NC(=O)[C@@H](C)N2CCC[C@H]2c2cccs2)no1 245237271 HSAKZHBGZCDLTC-NEPJUHHUSA-N 305.403 3.209 0 40 DGAB Cc1coc(C(=O)N2CCC[C@@H](NCc3ccccc3)C2)c1C 585083062 LVLQZDOCYAYZKG-QGZVFWFLSA-N 312.413 3.291 0 40 DGAB C[C@H](Sc1cccc(O)c1)C(=O)NCCc1cccs1 252492199 MFKUGLNVKJCAOQ-NSHDSACASA-N 307.440 3.293 0 40 DGAB Cc1ccccc1CN(C)C(=O)c1cc([C@@H]2CCCN2C)ccn1 257310141 UDVMGAODCFWCPS-IBGZPJMESA-N 323.440 3.429 0 40 DGAB O=C(NC1CCN(Cc2cccc(Cl)c2)CC1)C1CCC1 363645110 BUOLBPFGKIRAPK-UHFFFAOYSA-N 306.837 3.221 0 40 DGAB CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1ccc2c(c1)OCO2 95116056 UZWRWOUOELZZRY-CQSZACIVSA-N 312.325 3.014 0 40 DGAB CC(C)(C)OC(=O)[C@H](N)CCCCCCCCCC(=O)O 95936404 UJJHDAZHYBZEOY-CYBMUJFWSA-N 301.427 3.251 0 40 DGAB O=C(O)CCN(Cc1ccccc1)C(=O)[C@@H]1CCc2ccccc21 675947657 QNZUJXSPGBGDGQ-GOSISDBHSA-N 323.392 3.220 0 40 DGAB Cc1csc(-c2cccc(NC(=O)N3CCC[C@@H](O)C3)c2)n1 69809181 AAODDHLDHQFUPV-CQSZACIVSA-N 317.414 3.107 0 40 DGAB CC[C@@H](NC(=O)Cc1cccc(OC)c1)c1nc(C)cs1 69809519 KCNLSHYJRKJBOK-CQSZACIVSA-N 304.415 3.270 0 40 DGAB C[C@@H](Nc1nc(N(C)C)cc(C(F)(F)F)n1)c1cccnc1 73500695 RPJGHJDRGXHQHC-SECBINFHSA-N 311.311 3.130 0 40 DGAB Cc1nc(NC(=O)c2ccn(C(C)C)n2)ccc1Br 80721310 HIYFXHNGLZEYPZ-UHFFFAOYSA-N 323.194 3.182 0 40 DGAB Oc1ccc(N/C=C\c2nnnn2-c2ccc(Cl)cc2)cc1 5224106 FXNCVUBKPVRIGM-KTKRTIGZSA-N 313.748 3.104 0 40 DGAB O=C(Nc1ccc2ccccc2c1)[C@H]1[C@@H]2C=C[C@@H](C2)[C@@H]1C(=O)O 5007305 WVULZFFLGAIVPQ-OHFALNGGSA-N 307.349 3.301 0 40 DGAB C[C@@H](C(=O)O)n1c[n+]([O-])c(-c2ccccc2)c1-c1ccccc1 5031259 OYKVTHGWGIJBKU-ZDUSSCGKSA-N 308.337 3.101 0 40 DGAB Cc1cccc(CN2CCC[C@H](n3c(=O)oc4ccccc43)C2)n1 12089310 TYZCCWXMNMOGKD-INIZCTEOSA-N 323.396 3.135 0 40 DGAB CSc1ncc(C(=O)N[C@@H](C)c2ccc3c(c2)CCC3)cn1 12195033 SYMVYSNEEWSLAU-NSHDSACASA-N 313.426 3.178 0 40 DGAB CN(C)[C@@H](CNC(=O)c1ccc(F)c(F)c1)c1ccsc1 13011234 UWDLBVDFMVAXEC-AWEZNQCLSA-N 310.369 3.059 0 40 DGAB O=C(c1ccnn1C(F)F)N1CCC[C@@H](Cc2ccccc2)C1 19370567 FRVQHJSEQPQSKO-AWEZNQCLSA-N 319.355 3.373 0 40 DGAB CC(C)Cc1cccc([C@@H](C)C(=O)N2Cc3cncnc3C2)c1 571536525 KUQSBNBHYVZMNL-CQSZACIVSA-N 309.413 3.321 0 40 DGAB C[C@@H](c1ccccc1)N1CC(Cn2cc(Br)cn2)C1 1889130589 YQVNZWFIKRTQTP-LBPRGKRZSA-N 320.234 3.339 0 40 DGAB O=S(=O)(N[C@H](c1ccccc1)c1ccccn1)c1ccccc1 25658071 OPALOTFRDDVZGD-GOSISDBHSA-N 324.405 3.150 0 40 DGAB CSCc1csc(NC(=O)COc2ccc(F)cc2)n1 12230163 OYRSCWFFOPWXBR-UHFFFAOYSA-N 312.391 3.163 0 40 DGAB O=C1CCc2cc(NC(=O)NCc3ccc(F)cc3)ccc2N1 22507064 SUYUPJIDGAIOEO-UHFFFAOYSA-N 313.332 3.032 0 40 DGAB Cc1csc(C(=O)NCC2CCN(c3ccccn3)CC2)c1 43975430 SIDVNSYVIFQYNB-UHFFFAOYSA-N 315.442 3.098 0 40 DGAB O=C(NCCCOCC1CC1)Nc1ccc(F)cc1Cl 40024020 FDMCAKQUHKWSHK-UHFFFAOYSA-N 300.761 3.417 0 40 DGAB CCN1CCC[C@@H]1CNC(=O)c1ccc(OC2CCCC2)cc1 40073575 MUBONCCURPTRQU-MRXNPFEDSA-N 316.445 3.222 0 40 DGAB O=C(C[C@@H]1C(=O)Nc2ccccc21)Nc1cc(F)c(F)c(F)c1 101372253 IKHZLKJEBTTXON-JTQLQIEISA-N 320.270 3.168 0 40 DGAB Cc1cccc(CNS(=O)(=O)c2ccc3c(c2)CCCC3)c1 32760532 XQYYIUPCJWDBRD-UHFFFAOYSA-N 315.438 3.352 0 40 DGAB c1ccc(CNc2nc(N3CCOCC3)nc3ccccc23)cc1 356481 QCMGUOSQASKYDH-UHFFFAOYSA-N 320.396 3.079 0 40 DGAB O=c1[nH]c(CN(Cc2cccs2)C2CC2)nc2ccccc12 32825319 GZMLVZFTCURRRE-UHFFFAOYSA-N 311.410 3.149 0 40 DGAB CCOc1ccc(C(=O)Nc2ccc3oc(=O)ccc3c2)cc1 578763 JWUZKAMDHUWIMV-UHFFFAOYSA-N 309.321 3.444 0 40 DGAB COc1cccc(-c2nnc(NC(=O)c3ccccc3)s2)c1 258775 KJQQCKJOMHUSKQ-UHFFFAOYSA-N 311.366 3.466 0 40 DGAB COc1ccc2c(=O)cc(-c3ccc4c(c3)OCCO4)oc2c1 1516509 ICIAZVWJVZHQBP-UHFFFAOYSA-N 310.305 3.240 0 40 DGAB biogenic COc1ccc(C(=O)OCC(=O)Nc2cccc(Cl)c2)cc1 1960546 KSFFVGKGGUTKGR-UHFFFAOYSA-N 319.744 3.144 0 40 DGAB CC(C)(C)OC(=O)Nc1cccc2c1ccn2CCC(=O)O 2541446 GJTJHFFVBIKJSZ-UHFFFAOYSA-N 304.346 3.463 0 40 DGAB CCCSc1cc(=O)n(-c2ccc(Cl)cc2)nc1C(=O)O 2561396 RFEUJJQOPOOYLF-UHFFFAOYSA-N 324.789 3.086 0 40 DGAB CN(Cc1ccccc1)C(=O)COC(=O)c1ccccc1Cl 2635599 WZIBSCXVEPCFKP-UHFFFAOYSA-N 317.772 3.155 0 40 DGAB CC[C@H]1CCCCN1C(=O)COC(=O)c1ccc(C)c(C)c1 3246960 SFAGAAIWOFHZEX-INIZCTEOSA-N 303.402 3.251 0 40 DGAB COc1cc(OC)cc(C(=O)Oc2ccc(C(C)=O)cc2)c1 3286069 CEWCXQKPNOAJEQ-UHFFFAOYSA-N 300.310 3.126 0 40 DGAB Cc1ccccc1CSCC(=O)Nc1sccc1C(N)=O 3380347 BEAFEHIGBWMLOR-UHFFFAOYSA-N 320.439 3.027 0 40 DGAB CCCCCCOC(=O)C1=C(C)NC(=O)N[C@H]1c1ccccc1 4064410 LASVGJPXULFNRN-INIZCTEOSA-N 316.401 3.438 0 40 DGAB O=C(O)[C@@H]1CS[C@@H](c2ccccc2)N1C(=O)c1ccccc1 4407280 SURFXRHLXJAOSD-HOCLYGCPSA-N 313.378 3.028 0 40 DGAB CC1(C)[C@H]2CC[C@]34C=C[C@](C)(C3)C(=O)C[C@@H]4[C@]2(C)CC(=O)[C@@H]1O 5125151 KVDLINJXYLXARR-IUOOOUCWSA-N 316.441 3.304 0 40 DGAB in-man CC[C@H](C)NC(=O)[C@H](NC(=O)OCc1ccccc1)[C@H](C)CC 6224180 OAVUXSIQEJHCSI-IJEWVQPXSA-N 320.433 3.242 0 40 DGAB Cc1cccc(C(=O)OCC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c1C 6422840 CTLZXMRCCPUUOE-UKPHBRMFSA-N 317.429 3.401 0 40 DGAB C[C@@H]1Oc2ccccc2C(=O)N(Cc2ccccc2Cl)C1=O 6757183 KSTYJSVJIPVVGN-NSHDSACASA-N 315.756 3.290 0 40 DGAB O=C(COc1ccc(F)cc1Cl)c1ccc2c(c1)OCO2 7107678 NJYHCANMYLSBKV-UHFFFAOYSA-N 308.692 3.470 0 40 DGAB CN(C)C(=O)c1ccc(NC(=S)NC2CCCCC2)cc1 7586155 MQWYUAAFWFGKGY-UHFFFAOYSA-N 305.447 3.008 0 40 DGAB c1ccc(C2(c3ccccc3)OC[C@@H]([C@H]3CCCCN3)O2)cc1 8143662 HGKAMARNFGKMLC-MOPGFXCFSA-N 309.409 3.445 0 40 DGAB in-man CCc1c(C(=O)Nc2ccc(F)cc2)nnn1-c1ccccc1 8715171 AHLKFAJZAWTAJV-UHFFFAOYSA-N 310.332 3.221 0 40 DGAB NC(=O)c1cccc(NC(=O)/C=C/c2ccc(F)c(Cl)c2)c1 8774419 FHFISVIXLSMQNR-FNORWQNLSA-N 318.735 3.230 0 40 DGAB C[C@@H](Sc1nc2ncccn2n1)c1nnc(-c2ccccc2)o1 10074783 WNKLOMLJMGTJFU-SNVBAGLBSA-N 324.369 3.028 0 40 DGAB Cc1nnc(NC(=O)c2cnc3ccc(Cl)cc3c2O)s1 12391226 MPVDBNWSAMQASF-UHFFFAOYSA-N 320.761 3.006 0 40 DGAB Cc1cccc(C[C@H](CN(C)C(=O)OC(C)(C)C)C(=O)O)c1 12648631 YFZYDUPKZBDVHX-CQSZACIVSA-N 307.390 3.105 0 40 DGAB CC(C)(C)c1ccc(O)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)O)c1 13469945 UGHKGBZJVKFHOJ-STQMWFEESA-N 317.385 3.295 0 40 DGAB COC(=O)c1cc(-c2ccc(Cl)c(Cl)c2)nc2ccnn12 13645639 UGJNCQWDMLBYEW-UHFFFAOYSA-N 322.151 3.490 0 40 DGAB Cc1cc(C)cc(CSCC(=O)NCCCN2CCCC2)c1 13646183 QRFYLVIJGRJOEN-UHFFFAOYSA-N 320.502 3.139 0 40 DGAB C[C@@H]1Sc2ccc(C(=O)N[C@@H](C)c3ccco3)cc2NC1=O 14183528 ZWCFGZBVQSFILG-UWVGGRQHSA-N 316.382 3.203 0 40 DGAB COc1cccc(OS(=O)(=O)c2ccc3c(c2)CCCC3)c1 16093834 SADFSRJQHKMPPX-UHFFFAOYSA-N 318.394 3.342 0 40 DGAB CC[C@@H](CNC(=O)c1ccc(C(=O)OC)cc1)c1ccccc1 18152674 JNMGKIPKGIDESW-AWEZNQCLSA-N 311.381 3.397 0 40 DGAB CCCc1nc2nc(C)c(Cc3ccc(Cl)cc3)c(O)n2n1 18240853 CWWLWISWVSCCEL-UHFFFAOYSA-N 316.792 3.335 0 40 DGAB CC[C@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CCCC1 20482635 UCAGWWVZUSVSOA-SFHVURJKSA-N 318.461 3.063 0 40 DGAB O=C(NCCc1c[nH]c2ccccc12)c1noc2c1CCCC2 20533804 PQYCHBGLIOHHHS-UHFFFAOYSA-N 309.369 3.007 0 40 DGAB CC[C@H](Oc1cccc(Cl)c1)C(=O)NCc1ccncc1 22532161 KUUCIOABUMOONK-HNNXBMFYSA-N 304.777 3.209 0 40 DGAB COc1cccc(CNC(=O)CNc2ccccc2Cl)c1 24039962 QCIQEEFIHCUTLS-UHFFFAOYSA-N 304.777 3.077 0 40 DGAB COCc1ccccc1CNC(=O)NCC1(c2ccccc2)CC1 26149037 ORRMUBRSPUSSNU-UHFFFAOYSA-N 324.424 3.364 0 40 DGAB Cc1cc(NC(=O)CCN2CCC[C@@H]2c2cccs2)no1 28634529 VDNQPCANHUBOJA-GFCCVEGCSA-N 305.403 3.210 0 40 DGAB Cc1c(Cl)cccc1S(=O)(=O)N[C@@H](C)c1cccnc1 32406498 SAXKFKOLGYNCFQ-NSHDSACASA-N 310.806 3.083 0 40 DGAB O=C(NCC(F)(F)F)c1cc(-c2cccc(Cl)c2)[nH]n1 32824912 YYHXIESHFIGDGG-UHFFFAOYSA-N 303.671 3.022 0 40 DGAB C[C@H](NC[C@H]1CCCO1)C(=O)Nc1ccccc1-c1ccccc1 35313700 FGYNLHYPJDPKLK-DOTOQJQBSA-N 324.424 3.449 0 40 DGAB O=C(NCCc1ccccc1)[C@H]1CCCN(Cc2ccccc2)C1 38832932 AFKMWXGXCLHLOQ-FQEVSTJZSA-N 322.452 3.258 0 40 DGAB Cc1ccc(CCC(=O)NCC(C)(C)CN(C)C)cc1Cl 40039571 CXUUPBRCUYLVRR-UHFFFAOYSA-N 310.869 3.285 0 40 DGAB COCCn1cc(NC(=O)N[C@@H]2C[C@H](C)CC[C@H]2C(C)C)cn1 45637398 LILJJTCTUZRVEA-VNQPRFMTSA-N 322.453 3.112 0 40 DGAB COc1cc(C)c(S(=O)(=O)Nc2cccc(F)c2)cc1C 55548015 WJFXLZQLCMOMOF-UHFFFAOYSA-N 309.362 3.252 0 40 DGAB Cc1ccc(-c2ncc(C(=O)Nc3nc(C)no3)s2)c(C)c1 58316302 KVUNUIROFRDVSN-UHFFFAOYSA-N 314.370 3.371 0 40 DGAB CCC(=O)N(Cc1nnc(-c2ccc(Cl)cc2)o1)C1CC1 60389145 FFRPFBCTOKBAAU-UHFFFAOYSA-N 305.765 3.291 0 40 DGAB O=C(CCc1ccccc1OC(F)(F)F)Nc1nncs1 66280170 VLIYDXLIUYLSIZ-UHFFFAOYSA-N 317.292 3.008 0 40 DGAB CNc1snc(C)c1C(=O)N(C)C[C@H](C)c1ccccc1 66715265 JRXIKIYDBAWOQR-NSHDSACASA-N 303.431 3.369 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N(C)[C@H](C)c2cccnc2)c1 68350092 BAXASOBHANXBNQ-CQSZACIVSA-N 304.415 3.080 0 40 DGAB Cc1cc(N[C@H](C)Cn2nc(C)cc2C)nc(-c2ccccn2)n1 68668102 SSSKSSRKKPDUAE-CQSZACIVSA-N 322.416 3.161 0 40 DGAB C[C@@H](NC(=O)Nc1ccc(Cn2cccn2)cc1)c1ccncc1 69201208 PQLAYWLXPSHWPQ-CQSZACIVSA-N 321.384 3.209 0 40 DGAB Cc1noc(C)c1C(=O)Nc1cc(-c2c(F)cccc2F)[nH]n1 69564304 YFQXGFPYOFWXBG-UHFFFAOYSA-N 318.283 3.212 0 40 DGAB Cc1nc(C(C)(C)NCc2csc(-c3ccoc3)n2)no1 69898139 BQMMYOHWPAQFJT-UHFFFAOYSA-N 304.375 3.119 0 40 DGAB Cc1ccccc1C(=O)NC[C@](O)(c1ccccc1)C(F)(F)F 70636348 KRFQXMDDSLRNLW-INIZCTEOSA-N 323.314 3.175 0 40 DGAB Cc1cc(C)n([C@@H](C)C(=O)N2CCC[C@@H]2c2ccsc2)n1 71828083 QZMGESIDFBTNFS-DZGCQCFKSA-N 303.431 3.486 0 40 DGAB Cc1ccc(C[C@@H](NC(=O)[C@H]2CCCOC2)c2ccccn2)cc1 71908753 RBLSBHOPVXBJDN-PKOBYXMFSA-N 324.424 3.217 0 40 DGAB Cc1ncsc1CN(C)C(=O)C[C@H]1CCOc2ccccc21 71910397 WDQLLSJCUGVQDL-CYBMUJFWSA-N 316.426 3.366 0 40 DGAB Cc1ccc(-n2ccnc2)c(C(=O)NCCc2ccc(F)cc2)c1 72283583 BUPBQBZUNVETHW-UHFFFAOYSA-N 323.371 3.292 0 40 DGAB CCn1ncc2c1CCC[C@@H]2NCc1cc(OC)cc(OC)c1 72298425 RLCILXMCEDSTCS-KRWDZBQOSA-N 315.417 3.087 0 40 DGAB O=C(c1cc(F)cc(F)c1)N1CCC(c2cccnc2)CC1 72342149 JUARKEKMUGTTCH-UHFFFAOYSA-N 302.324 3.380 0 40 DGAB CC(=O)OC1CN(c2nc3c(C(F)(F)F)cccc3s2)C1 75172353 UQWNOZFNDPDTIF-UHFFFAOYSA-N 316.304 3.067 0 40 DGAB CCOC(=O)c1cn(Cc2cc(C(F)(F)F)ccc2F)cn1 75629456 LQAJVMZYUOQAML-UHFFFAOYSA-N 316.254 3.266 0 40 DGAB C[C@@H](CC[S@@](C)=O)NC(=O)Nc1cc(Cl)ccc1Cl 76092090 XUAOSVRCXLCELW-RLBGWGEZSA-N 323.245 3.272 0 40 DGAB Nc1nccnc1C(=O)N1CCCCC[C@H]1C1CCCCC1 78814978 DUEMQCLSCVMWTA-AWEZNQCLSA-N 302.422 3.024 0 40 DGAB Cc1cc(C(=O)N(C[C@@H]2CCCO2)c2ccncc2)ccc1F 79310497 LTCHNLLSDQUCKI-INIZCTEOSA-N 314.360 3.355 0 40 DGAB COCc1ccc(C(=O)N[C@@](C)(COC)c2ccccc2)cc1 79732379 MTHLRROGQDUAML-IBGZPJMESA-N 313.397 3.125 0 40 DGAB COc1cc(C(=O)N2CCC[C@@H](c3cc(C)[nH]n3)C2)ccc1C 84187956 ZQVBEKWMZHUFEK-OAHLLOKOSA-N 313.401 3.055 0 40 DGAB CCn1c([C@@H]2CCCN2Cc2cnn(C)c2)nc2ccccc21 89305475 LKEZZYGIRKBROA-KRWDZBQOSA-N 309.417 3.127 0 40 DGAB c1ccc(CC[C@@H]2CCCCN2c2ncnc3[nH]cnc23)cc1 89651348 LGDYSKDQABJTIP-HNNXBMFYSA-N 307.401 3.345 0 40 DGAB O=C(NCCc1ccncc1)Nc1cc(-c2ccccc2)on1 89851128 ZQDSRHIUBXWCDO-UHFFFAOYSA-N 308.341 3.101 0 40 DGAB Cc1ccc([C@H]2C[C@H]2C(=O)NCc2cccc(C(=O)O)c2)s1 95970428 LKTKXEWWOYFXKZ-UONOGXRCSA-N 315.394 3.175 0 40 DGAB OCc1ccc(CN2CCC[C@@H](c3nc4ccccc4[nH]3)C2)o1 95982387 GXZSFTPODAKSSS-CYBMUJFWSA-N 311.385 3.028 0 40 DGAB Cc1nc(CN[C@@H](C)c2ccc(N3CCCC3=O)cc2)oc1C 95984688 STVHPLFTIURPQB-ZDUSSCGKSA-N 313.401 3.269 0 40 DGAB CC(=O)Nc1cccc(OCc2nnc(-c3ccc(C)o3)o2)c1 96137120 RSBUWXNXCGCEES-UHFFFAOYSA-N 313.313 3.175 0 40 DGAB Cc1cc(C)n(C[C@H](C)NC(=O)[C@H](C)Cc2ccccc2F)n1 96414302 ULIWCDXARKLOOA-OCCSQVGLSA-N 317.408 3.023 0 40 DGAB COc1ccc(NC(=O)NC[C@](C)(O)c2cccs2)cc1C 96417996 NPYJXBAODBBSFN-INIZCTEOSA-N 320.414 3.094 0 40 DGAB Cc1cc(NC(=O)N2C[C@@H](C)O[C@H](c3ccsc3)C2)no1 96469311 LYTHYUHEGHGIKD-PWSUYJOCSA-N 307.375 3.038 0 40 DGAB CC[C@@](C)(NC(=O)c1ccc(C(=O)O)s1)c1nc(C)cs1 96479834 KYZLIMFOZZOWQV-CQSZACIVSA-N 324.427 3.266 0 40 DGAB C[C@@H](CC1CCOCC1)Nc1ccccc1O[C@@H]1CCOC1 97037970 FPHOXZJQPITFDG-GOEBONIOSA-N 305.418 3.471 0 40 DGAB O=C(NCCc1nc(C2CCCCC2)no1)Nc1ccccc1 109526998 HGPUVACNWAQMPI-UHFFFAOYSA-N 314.389 3.482 0 40 DGAB C[C@@H]1CO[C@@H](c2cccc(Cl)c2)CN1Cc1cncnc1 188755170 MDWBPIIPXSCBSY-MLGOLLRUSA-N 303.793 3.092 0 40 DGAB O[C@H](CSCc1nnc(-c2ccccc2)s1)C(F)(F)F 191160972 RMQMSEZVFFIOOV-SECBINFHSA-N 320.361 3.362 0 40 DGAB CCCNc1ccc(CNC(=O)N[C@H](C)c2ccccn2)cc1 192436375 HJNDDOPUVSEFSW-CQSZACIVSA-N 312.417 3.464 0 40 DGAB CN(CC(F)(F)F)C(=O)Nc1cccc(N2CCCC2)c1 195576261 YSSFIVARPJWFSY-UHFFFAOYSA-N 301.312 3.313 0 40 DGAB Cc1nc(NC(=O)COc2ccnc3c2CCCC3)sc1C 207012986 DIMGQNJDWMSSTG-UHFFFAOYSA-N 317.414 3.051 0 40 DGAB CCCC(=O)N(Cc1cccc(Cl)c1)[C@@H](C)C(=O)NC(C)C 224643117 IXUINYJLOGVGTR-ZDUSSCGKSA-N 324.852 3.382 0 40 DGAB COc1ccc(OC)c(C[C@H](Oc2ccc(C)cc2)C(=O)O)c1 225114547 PLROLLKYSOSEKW-KRWDZBQOSA-N 316.353 3.087 0 40 DGAB CC[C@@H](Oc1ccc(C)cc1)C(=O)Nc1nnc(SC)s1 225531392 FMQCUWKVIWCGLM-LLVKDONJSA-N 323.443 3.365 0 40 DGAB COC1(CNC(=O)/C=C/c2cccs2)Cc2ccccc2C1 225718832 NQEQOXYHNZEMST-CMDGGOBGSA-N 313.422 3.062 0 40 DGAB CC[C@@H]1CSC2=N[C@@H](c3ccccn3)[C@H](c3ccncc3)N21 260781588 TZJNSLPGHMPJHY-KBMXLJTQSA-N 310.426 3.456 0 40 DGAB Cn1nc(C2CCCC2)cc1NC(=O)c1ccc(C(=O)O)cc1 263402178 GVQHAELEGGMMOZ-UHFFFAOYSA-N 313.357 3.028 0 40 DGAB COc1ccc(C(=O)N(C)Cc2nnc(-c3ccccc3)o2)cc1 408714768 WOMSPEAUVALUFQ-UHFFFAOYSA-N 323.352 3.017 0 40 DGAB COCCN1C(=O)c2ccccc2N[C@@H]1c1ccsc1C 515217070 GTVYULVEYNHOAI-HNNXBMFYSA-N 302.399 3.269 0 40 DGAB C[C@@H]1COc2ccccc2CN1Cc1ccc(C(=O)O)c(F)c1 584666151 MBJZBLCYRVCLBO-GFCCVEGCSA-N 315.344 3.307 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(C[C@H]2CCCOC2)CC1 1207458455 WIRWHFCGTYDLDM-CQSZACIVSA-N 309.837 3.050 0 40 DGAB CN(C[C@@](C)(O)c1ccccc1)C(=O)c1cc2c(o1)CCCC2 1520258908 VKRWSWVWXPPUEW-LJQANCHMSA-N 313.397 3.138 0 40 DGAB Fc1ccc2nc(N3CC(Cn4cc(Cl)cn4)C3)sc2c1 1889186292 FHJBOJKGVMIVBE-UHFFFAOYSA-N 322.796 3.422 0 40 DGAB CCOc1ccc(N2C(=O)CN=C2Nc2ccc(C)cc2)cc1 1360527 LMMQYORRKXCQRW-UHFFFAOYSA-N 309.369 3.208 0 40 DGAB C[C@H](NC(=O)Cc1cccs1)c1cccc(-n2ccnc2)c1 78935133 HCSGKCYVLKDASZ-ZDUSSCGKSA-N 311.410 3.354 0 40 DGAB O=C(Cc1ccc(C(F)(F)F)cc1)NOCc1ccccc1 25038776 BZFLHBOQCHGSHM-UHFFFAOYSA-N 309.287 3.496 0 40 DGAB COc1ccc(-c2nnc(SC[C@H]3CCCCO3)n2C)cc1 3569104 MLLMEFDIJHJLGY-CQSZACIVSA-N 319.430 3.152 0 40 DGAB Nc1ccccc1-c1nnc(SCC(=O)c2ccccc2)o1 4189500 OCQZMLNVHZKSAZ-UHFFFAOYSA-N 311.366 3.294 0 40 DGAB NC1=Nc2nc3ccccc3n2[C@@H](c2cccc3ccccc23)N1 1408233 QSKJRHOGEDXIMR-KRWDZBQOSA-N 313.364 3.286 0 40 DGAB COc1cc(C(=O)N(CC(C)C)CC(C)C)cc(OC)c1OC 1469213 IXURAGFFUDZCCG-UHFFFAOYSA-N 323.433 3.467 0 40 DGAB Cc1n[nH]c2c1[C@H](c1cccc(F)c1F)S[C@H](C)C(=O)N2 6678411 BYQGGMYRWNMCFL-KRTXAFLBSA-N 309.341 3.160 0 40 DGAB CCc1ccccc1N[C@H]1CC(=O)N(c2cccc(C)c2)C1=O 101275195 OUTRSYPCTSLVPA-KRWDZBQOSA-N 308.381 3.301 0 40 DGAB CO[C@@H]1CCCC[C@H]1NC(=O)N(C1CC1)[C@H](C)c1ccco1 108355062 BBFCIWJQOCTEIR-XNRPHZJLSA-N 306.406 3.472 0 40 DGAB C[C@H](NC(=O)NCCc1nccs1)[C@@H](C)c1ccccc1 83202435 HQMYRJXSZPEWGM-OLZOCXBDSA-N 303.431 3.177 0 40 DGAB Cc1cccc(OCC(=O)N2CCOC23CCCCC3)c1C 35671174 HTBRWDSXYZNQEU-UHFFFAOYSA-N 303.402 3.201 0 40 DGAB C=C1c2ccccc2C(=O)N1[C@H](C)C(=O)N1CCc2ccccc21 44894239 VXBIGJGECXEUCY-CQSZACIVSA-N 318.376 3.091 0 40 DGAB Cc1nonc1NC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl 27793437 YUYXHDKPXVQYHY-SSDOTTSWSA-N 316.144 3.091 0 40 DGAB O=C(NC1CC1)[C@@H](N[C@@H]1CCc2c(F)cccc21)c1ccccc1 58282234 FHVVFNRERIAIHH-MOPGFXCFSA-N 324.399 3.423 0 40 DGAB CC[C@H](C(=O)NC[C@H]1CCCN(C(C)C)C1)c1ccccc1 58264634 HIMOYBIFLOMJKH-AEFFLSMTSA-N 302.462 3.417 0 40 DGAB CCC(=O)NCc1cc(Br)ccc1OC(F)F 58208718 DKECJEWFTNUXEV-UHFFFAOYSA-N 308.122 3.077 0 40 DGAB Cc1cc(CNC(=O)CCOc2ccc(C(C)C)cc2)no1 58283266 YGUWLCNLEMXDIA-UHFFFAOYSA-N 302.374 3.192 0 40 DGAB CN(C)Cc1ccc(C(=O)Nc2nc3c(s2)CCCC3)cc1 12696832 UQFAFOFNZODBLH-UHFFFAOYSA-N 315.442 3.336 0 40 DGAB O=C1CN=C(Nc2ccc(Cl)cc2)N1Cc1cccs1 20143198 ATZXGWSBDSVLGF-UHFFFAOYSA-N 305.790 3.212 0 40 DGAB Cc1noc(C)c1CN(C)C(=O)NCC1(c2ccccc2)CC1 45376708 UMNVXXIJPPFBKT-UHFFFAOYSA-N 313.401 3.165 0 40 DGAB C/C(NCc1cccc(Cl)c1)=C1/N=C(c2ccco2)OC1=O 102830971 IEOHNVFDJUVJIX-UVTDQMKNSA-N 316.744 3.258 0 40 DGAB CCCCC[C@H](C)NC(=O)c1sc2ncn(C)c(=O)c2c1C 29472450 QLDZOZNHDQDPKK-JTQLQIEISA-N 321.446 3.002 0 40 DGAB Cc1ccsc1CN(C)CC(=O)N(C)Cc1cccs1 48216883 JYTZHVNDMIVJGT-UHFFFAOYSA-N 308.472 3.208 0 40 DGAB COc1ccc(C)cc1NC(=O)COC(=O)c1sccc1C 3384231 KHXFARSPCSZZNQ-UHFFFAOYSA-N 319.382 3.169 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)[C@H](C(N)=O)c1ccccc1 12816266 YGMPQEQVKHJUPN-HNNXBMFYSA-N 322.330 3.364 0 40 DGAB CC[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1CC 3596423 VASJZBSIBJJUIJ-JTQLQIEISA-N 324.475 3.033 0 40 DGAB COC(=O)C1(NC(=O)c2cc3ccccc3o2)CCCCC1 12920234 DDJKZKLOOPTRSY-UHFFFAOYSA-N 301.342 3.039 0 40 DGAB CC[C@@H](C)c1ccc(NC(=O)CSc2nnc(N)s2)cc1 3601781 HYEUDAVQPJXNQB-SECBINFHSA-N 322.459 3.365 0 40 DGAB CSc1ccc(-c2ccc(=O)n(CC(=O)C(C)(C)C)n2)cc1 49548812 OSDKYFOGHMBPMG-UHFFFAOYSA-N 316.426 3.247 0 40 DGAB CCN1CCC(NC(=O)Cc2ccc(Cl)cc2Cl)CC1 13745012 NWADMXZQZFCXLF-UHFFFAOYSA-N 315.244 3.136 0 40 DGAB CCCC(=O)Nc1nnc(COc2cc(C)cc(C)c2)s1 4681684 XLLDWDSIMDMIHC-UHFFFAOYSA-N 305.403 3.473 0 40 DGAB CC(C)n1c(CNC(=O)c2ccc(Cl)cc2)n[nH]c1=S 66640101 HIKYLXXVDRMSAP-UHFFFAOYSA-N 310.810 3.105 0 40 DGAB CCc1nnc(NC(=O)CSCc2ccc(C)cc2)s1 7348024 STCRWEIMHBMJHX-UHFFFAOYSA-N 307.444 3.281 0 40 DGAB Cc1ccnc(NC(=O)c2ccc(Cc3c(C)noc3C)o2)c1 28241588 VEAWNVOQLULHAF-UHFFFAOYSA-N 311.341 3.431 0 40 DGAB CCS(=O)(=O)c1ccccc1C(=O)Nc1ccccc1C 7666871 LSXVETXKXBPLKS-UHFFFAOYSA-N 303.383 3.041 0 40 DGAB COc1ccc(CC(=O)N[C@@H](C)c2ccc(F)cc2F)cc1 7671729 OTLNDACRCNXKBU-NSHDSACASA-N 305.324 3.393 0 40 DGAB Cn1c(SCC(=O)Nc2ccc(F)cc2)nc2ccccc21 16031972 UKFKWCNWMVOJJF-UHFFFAOYSA-N 315.373 3.443 0 40 DGAB O=C(NOCc1ccccc1)c1cccc(Br)c1 7791458 XFPPWYCQRFIUFI-UHFFFAOYSA-N 306.159 3.311 0 40 DGAB C[C@@H]1c2ccsc2CCN1CC(=O)Nc1cccc(F)c1 7878561 YEJJCTOIVFVNDH-LLVKDONJSA-N 304.390 3.445 0 40 DGAB CC[C@H](C)[C@@H]1CCCCN1C(=O)CCn1c(C)csc1=O 84721665 QZDYCNJHTMDJNN-JSGCOSHPSA-N 310.463 3.036 0 40 DGAB CCc1cccc2c(C(=O)N3CCC[C@H](n4ccnc4)C3)c[nH]c12 69819807 USCZHHCNPVJXSO-HNNXBMFYSA-N 322.412 3.404 0 40 DGAB COc1ccc(-c2n[nH]c(SCc3cc(C)on3)n2)cc1 8705828 DHBUJOKEYHGMNZ-UHFFFAOYSA-N 302.359 3.069 0 40 DGAB CN1C(=O)c2[nH]nc(-c3ccccc3O)c2[C@H]1c1ccc(F)cc1 8845608 IYGOMZSGAWKQHM-QGZVFWFLSA-N 323.327 3.096 0 40 DGAB CCc1nc(CCNC(=O)Cc2ccc(F)cc2)sc1C 71185639 SBIRDBIRTBEVTJ-UHFFFAOYSA-N 306.406 3.054 0 40 DGAB Cc1cc(C)nc(NC[C@@H](c2ccco2)N2CCCCC2)n1 97008938 HDFCFLDQCQBVMP-HNNXBMFYSA-N 300.406 3.326 0 40 DGAB CC(C)c1ccccc1NC(=O)NCCn1cnnc1C1CC1 97164274 UTAYTWCGRRPHOA-UHFFFAOYSA-N 313.405 3.101 0 40 DGAB Cc1cccc(NC(=O)NC[C@H](O)c2ccc(Cl)c(F)c2)n1 97142715 KTCBDRYRWKFGAC-ZDUSSCGKSA-N 323.755 3.038 0 40 DGAB CN(CC(=O)N(C)C)Cc1cccc(-c2ccccc2F)c1 95982310 IZSVDZZMXJBVKK-UHFFFAOYSA-N 300.377 3.013 0 40 DGAB O=C(Cc1c(F)c(F)c(F)c(F)c1F)Nc1nccs1 9952565 MNEIAZOCEGBIOU-UHFFFAOYSA-N 308.231 3.020 0 40 DGAB COc1ccccc1-n1[nH]c(C)c(Cc2cccc(C)c2)c1=O 9939743 LAENCKQEARASJZ-UHFFFAOYSA-N 308.381 3.382 0 40 DGAB O=C(NCC1CCC1)N1CC[C@@H](COCc2ccccc2)C1 89836687 KIEZVAYBEHDYBB-QGZVFWFLSA-N 302.418 3.035 0 40 DGAB Cc1nn(C)c(Cl)c1[C@H]1CCCN1C(=O)c1ccoc1C 75602204 YEVURAVOVBYNOL-GFCCVEGCSA-N 307.781 3.261 0 40 DGAB CCC(=O)N1CC[C@@H](NCc2ccc(OC)c(Cl)c2)[C@H](C)C1 76058047 LHQOQJSQXCEWSV-IUODEOHRSA-N 324.852 3.085 0 40 DGAB COC(=O)C[C@H](NC(=O)[C@@H]1CC=CCC1)c1ccc(Cl)cc1 23038107 NMPHBRMPICEWPD-HIFRSBDPSA-N 321.804 3.417 0 40 DGAB CCn1ccc(C(=O)N[C@@H](C)c2ccc(-n3cccc3)cc2)n1 28238016 VMTNAUPYIVLJHS-AWEZNQCLSA-N 308.385 3.185 0 40 DGAB CCCCCNC(=O)C[C@@H](NC(C)=O)c1ccc(Cl)cc1 39976721 GTNLXNILJROCQH-OAHLLOKOSA-N 310.825 3.214 0 40 DGAB CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)c1ccc(-n3ccnc3)nc1)C2 32402432 TUNDSAYIPIRMJW-YZVOILCLSA-N 324.428 3.212 0 40 DGAB COC(=O)c1c(OCCCOc2ccc(Cl)cc2)ccn1C 551364111 DBSPDUHAEPAYFM-UHFFFAOYSA-N 323.776 3.313 0 40 DGAB CCOc1ccc(NC(=O)NC[C@@](C)(O)c2ccccc2)cc1 70639823 IASKAXBNWPWBJN-GOSISDBHSA-N 314.385 3.115 0 40 DGAB Cc1ccc(F)c(S(=O)(=O)Oc2cccc3c2CCC3=O)c1 32410627 QXTNSEKGWGFOLD-UHFFFAOYSA-N 320.341 3.031 0 40 DGAB CCOc1ccc(N2C(=O)[C@H](N)[C@@H]2c2cccc(Cl)c2)cc1 72228089 BGFGFQQCKOVOMF-CVEARBPZSA-N 316.788 3.154 0 40 DGAB COc1cccc(CC(=O)NCC2(c3cccs3)CC2)c1 38592978 YESWIEHKTGORNM-UHFFFAOYSA-N 301.411 3.147 0 40 DGAB CC(C)(C)OC(=O)N1[C@H]([C@@H](N)c2ccccc2)COC1(C)C 72208810 OEXNURJONFKAOX-KBPBESRZSA-N 306.406 3.058 0 40 DGAB COc1ccc(S(=O)(=O)N(C)c2ccc(C)cc2C)cc1C 224632317 RUISUNPSTOTUNP-UHFFFAOYSA-N 319.426 3.446 0 40 DGAB COc1cccc(CCCNC(=S)Nc2cc(C)ccn2)c1 225555118 OCLDDDBNTGUOMG-UHFFFAOYSA-N 315.442 3.318 0 40 DGAB O=C(c1ccno1)N(CCc1cccs1)Cc1ccco1 77171721 IJJSXZXLWNJPKA-UHFFFAOYSA-N 302.355 3.214 0 40 DGAB Cc1c(Cl)cnc(NC(=S)NC[C@H]2CCCO2)c1Cl 223896373 SADPTDXOKVXGEL-MRVPVSSYSA-N 320.245 3.162 0 40 DGAB CCCC(=O)N(Cc1ccc(C)cc1)[C@H](C)C(=O)NC(C)C 225534209 QZBIZLHEWOKWAW-OAHLLOKOSA-N 304.434 3.037 0 40 DGAB CN(Cc1ccc(Br)s1)CC1(O)CCCC1 83862657 RPPFLIMPNPTDRG-UHFFFAOYSA-N 304.253 3.248 0 40 DGAB CC(C)(C)c1nnc([C@H]2CCN(C(=O)C3CCCCC3)C2)o1 49170814 URBLFACHXDEIGX-ZDUSSCGKSA-N 305.422 3.263 0 40 DGAB biogenic,in-vitro CC(C)(Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCCC1 227158956 BXEMOBSPBUFPND-UHFFFAOYSA-N 313.401 3.042 0 40 DGAB Cc1nc2cc(NC3CCN(CC(F)F)CC3)ccc2n1C 195558928 GGXAWOUPUNVSNR-UHFFFAOYSA-N 308.376 3.023 0 40 DGAB COc1ccccc1NC(=O)N[C@H](C)COc1ccccc1 48050565 SEMDNIKHJQWAED-CYBMUJFWSA-N 300.358 3.284 0 40 DGAB Cn1ncc(C(=O)Nc2cncc3ccccc23)c1C(F)F 535462542 BPWIGARLYRYCEJ-UHFFFAOYSA-N 302.284 3.158 0 40 DGAB Cc1ccc(OCc2ccc(C(N)=O)cc2)c2c1[C@@H](C)CC2=O 22187300 PJESWULMIJUGOP-LBPRGKRZSA-N 309.365 3.363 0 40 DGAB Cc1ccc(CN(C)S(=O)(=O)c2ccc(C)c(C)c2)c(C)n1 331117834 ODADDVHJUUYDQF-UHFFFAOYSA-N 318.442 3.136 0 40 DGAB C[C@H](O)c1onc(-c2cccs2)c1C(=O)N1CCCCCC1 253406159 UGMUQPVOBGFMNR-NSHDSACASA-N 320.414 3.473 0 40 DGAB biogenic,in-vitro Cc1c[nH]nc1[C@H]1CCCN(C(=O)Cc2c[nH]c3ccccc23)C1 585182124 XEPSXSCGSKUFGU-AWEZNQCLSA-N 322.412 3.148 0 40 DGAB O=c1[nH]c(C[C@H]2CCCO2)nc2sc(-c3ccccc3)cc12 66606215 IYIKYEWHIUAZCQ-GFCCVEGCSA-N 312.394 3.373 0 40 DGAB CCOC(=O)[C@H]1CCCN(C(=O)Nc2ccc(C)c(C)c2)C1 33923794 IOQVSDVWKATXIO-AWEZNQCLSA-N 304.390 3.110 0 40 DGAB Cc1ncnc(N2CCC(c3ccc4cccnc4n3)CC2)c1C 882545873 RHCAEWRZNRMOHG-UHFFFAOYSA-N 319.412 3.421 0 40 DGAB CC(C)S(=O)(=O)Cc1ccc(NC(=O)NC2CCCC2)cc1 52139638 IPNWACBSKUSLLV-UHFFFAOYSA-N 324.446 3.074 0 40 DGAB C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1Nc1ccc(Cl)cn1 78664126 DAMMBFGWLWZLTM-SNPRPXQTSA-N 309.841 3.036 0 40 DGAB FC(F)(F)c1cc([C@@H]2CCCN(CCOCC3CC3)C2)n[nH]1 78900975 NRAJCDXOLKFZPB-GFCCVEGCSA-N 317.355 3.035 0 40 DGAB C[S@](=O)c1ccc(CN[C@@]2(C)CCc3ccccc3C2)cc1 85329428 XHPPDRWPOFSSNC-SIKLNZKXSA-N 313.466 3.461 0 40 DGAB CC[C@H](C(=O)N1CCCSC[C@@H]1CN(C)C)c1ccccc1 90699972 HDTOKXPIDQQWLZ-IRXDYDNUSA-N 320.502 3.076 0 40 DGAB CCSc1nnc(NC(=O)[C@H](C)Oc2ccccc2)s1 5443206 XIQXYUNOYKOCMD-VIFPVBQESA-N 309.416 3.056 0 40 DGAB CC(C)N1CCC[C@H](CNC(=O)C2(c3ccccc3F)CC2)C1 12199488 YSMQHTGOINIPRT-OAHLLOKOSA-N 318.436 3.094 0 40 DGAB COc1ccc(OC[C@@H]2[C@@H]3CC[C@@H](C3)N2C(=O)C(C)C)cc1 12219991 IINRNKLFRNRMKT-JKIFEVAISA-N 303.402 3.110 0 40 DGAB N#C/C(=C\c1ccc(OCC(=O)O)cc1)c1ccc([N+](=O)[O-])cc1 16406845 UKXKFRRXPPAHOF-NTEUORMPSA-N 324.292 3.122 0 40 DGAB CC[C@H](NC(=O)COc1ccc(F)cc1)c1ccc(OC)cc1 18131627 LTFPENUFEMMGMB-KRWDZBQOSA-N 317.360 3.481 0 40 DGAB Cc1csc([C@@H](Cc2cccs2)NC[C@@H]2CCOC2)n1 19240062 AYVYFHARSMCODH-GXTWGEPZSA-N 308.472 3.423 0 40 DGAB COc1ccc2c(c1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)C(=O)C[C@@H]12 166191815 HYTUXCLDWATLGA-VYDRJQSISA-N 300.398 3.091 0 40 DGAB O=C(O)[C@H]1CCCCN1Cc1ccc(Cl)c2cccnc12 154710492 DTVAXQAZBLDNCC-CQSZACIVSA-N 304.777 3.327 0 40 DGAB CN(Cc1ccc(C(F)(F)F)cc1)c1ncnc2c1cnn2C 12485662 JPCBAEWWDYJPKJ-UHFFFAOYSA-N 321.306 3.019 0 40 DGAB C[C@H](c1nc2ccccc2c(=O)[nH]1)N(C)Cc1ccc(F)cc1 23995946 ZZBPMWFESZAYKI-GFCCVEGCSA-N 311.360 3.255 0 40 DGAB COc1ccc(C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 5439707 IFPYVDBGRLFHIP-UHFFFAOYSA-N 310.353 3.074 0 40 DGAB Fc1ccc(Nc2nnnc3c2cnn3-c2ccccc2)c(F)c1 49029842 SNKJXPRJQPLJCW-UHFFFAOYSA-N 324.294 3.232 0 40 DGAB CC(C)NC(=O)CCNc1ncc(C(F)(F)F)cc1Cl 40067546 LGWCAJFPQHXSHC-UHFFFAOYSA-N 309.719 3.080 0 40 DGAB O=C(c1ccn(-c2ccccc2)n1)N1CCc2sccc2C1 32922842 DRCBGSRJBSMVAK-UHFFFAOYSA-N 309.394 3.132 0 40 DGAB CN(C(=O)CCc1ccc2c(c1)OCO2)[C@@H]1CCc2ccccc21 32905696 SBZWYFIVCOWGLS-QGZVFWFLSA-N 323.392 3.494 0 40 DGAB Cc1cc(C(=O)NCc2ccccc2CN(C)C)sc1C 24084121 NTPSWLBBNGZFTR-UHFFFAOYSA-N 302.443 3.357 0 40 DGAB COc1cccc(/C=C/S(=O)(=O)Cc2ccccc2)c1OC 1589394 OAJWLLCJPXJHNZ-VAWYXSNFSA-N 318.394 3.290 0 40 DGAB COc1ccc(OCC(=O)NCCc2ccc(Cl)cc2)cc1 3606582 XDPBXDXELKMEJS-UHFFFAOYSA-N 319.788 3.086 0 40 DGAB CCn1c(SCC(=O)NC2CCCC2)nc2ccccc21 4289588 RIHMRYCXZSYYGN-UHFFFAOYSA-N 303.431 3.207 0 40 DGAB Cc1ccc2c(c1)C(=O)C(=O)N2CCOc1ccc(Cl)cc1 4501767 WHPSCGDVLVDWQI-UHFFFAOYSA-N 315.756 3.257 0 40 DGAB CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)COC(=O)c1ccncc1 4978537 CPOWKFMLLOOHSJ-FVQBIDKESA-N 319.401 3.242 0 40 DGAB CCC(=O)N1CCN(c2nc3c(C)c(Cl)ccc3s2)CC1 5240055 BXNZTIRQJJVRGQ-UHFFFAOYSA-N 323.849 3.317 0 40 DGAB O=C(N[C@H]1CN2CCC1CC2)c1ccc(Oc2ccccc2)cc1 5938506 INQFYMZPQQUPIU-IBGZPJMESA-N 322.408 3.303 0 40 DGAB CC(C)n1cnnc1SCC(=O)c1c[nH]c2ccccc12 8236263 SSPWHKRLKJUUAW-UHFFFAOYSA-N 300.387 3.315 0 40 DGAB COc1ccc(-n2nnnc2-c2c[nH]c3c(C)cc(C)cc23)cc1 8702054 ITTIXJBZUPDQOB-UHFFFAOYSA-N 319.368 3.436 0 40 DGAB CCOC(=O)c1c(C)[nH]c(C(=O)OCc2ccc(F)cc2)c1C 9158878 DQRIQFZDKKXXQG-UHFFFAOYSA-N 319.332 3.304 0 40 DGAB C[C@H](NC(=O)CSc1ncnc2sccc12)c1ccco1 9456594 KZCMXCOJJPTCLB-VIFPVBQESA-N 319.411 3.254 0 40 DGAB O=C(NCc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCC3 12521977 RMMPCVHSNBPVES-UHFFFAOYSA-N 305.381 3.372 0 40 DGAB CC(C)C(=O)Nc1cccc(CNC(=O)/C=C/c2ccco2)c1 12981683 SSLJGBBKVGMHNT-CMDGGOBGSA-N 312.369 3.204 0 40 DGAB Nc1nc2n(n1)[C@@H](c1ccccc1)C[C@@H](c1ccc(F)cc1)N2 13131382 IPTAKXBCVHXFHW-LSDHHAIUSA-N 309.348 3.146 0 40 DGAB aggregator C[C@@H]1C[C@H]1C(=O)Nc1nc(-c2ccc3c(c2)OCCO3)cs1 14110062 VIBMJMDRVWQJME-MWLCHTKSSA-N 316.382 3.176 0 40 DGAB CC(=O)Nc1ccc(C(=O)Nc2cccc3cccnc23)cc1 14517651 UAQOLUSDDAJTFU-UHFFFAOYSA-N 305.337 3.446 0 40 DGAB CC(C)c1nnc(SCCCOc2ccccc2C(=O)O)o1 15418591 YTPVYVGGQCCQFP-UHFFFAOYSA-N 322.386 3.452 0 40 DGAB COc1ccccc1OCCNC(=S)Nc1ccccc1 16313704 OPVLDTISCDJANG-UHFFFAOYSA-N 302.399 3.061 0 40 DGAB O=c1c2c3c(sc2[nH]c(=S)n1Cc1ccccn1)CCC3 17053509 MNRJTNKCDVSKAF-UHFFFAOYSA-N 315.423 3.053 0 40 DGAB COCC(=O)N1CCC(c2cc(-c3ccccc3)cc(C)n2)CC1 19691118 RSJGDPIJMCERLJ-UHFFFAOYSA-N 324.424 3.409 0 40 DGAB COc1ccc(OC)c(CC(=O)Nc2cc(F)ccc2F)c1 20029785 HBOZTALWQDUTFR-UHFFFAOYSA-N 307.296 3.163 0 40 DGAB Cc1cccc(OCC(=O)Nc2ccc(C(=O)O)c(Cl)c2)c1 20143851 VVYKMIMBHTZARK-UHFFFAOYSA-N 319.744 3.364 0 40 DGAB COc1ccc([C@@H](C)Nc2nc(C)c(C(=O)O)s2)cc1OC 20156590 GDUCKCFFGVEELI-MRVPVSSYSA-N 322.386 3.340 0 40 DGAB COc1ccc2c(ccn2CC(=O)Nc2ncc(C)s2)c1 20721164 IOROPWXSDUGAGY-UHFFFAOYSA-N 301.371 3.054 0 40 DGAB Cc1ccc(OCC(=O)Nc2noc(-c3ccccc3)n2)cc1 21800315 MJNVLNYSAYXJMY-UHFFFAOYSA-N 309.325 3.063 0 40 DGAB Cc1c(Cl)ccnc1C[S@](=O)c1nc2ccccc2[nH]1 22056191 RAPCQINSRSZSKF-HXUWFJFHSA-N 305.790 3.228 0 40 DGAB in-vitro COc1ccc(-c2noc(COc3ccc(C=O)cc3)n2)cc1 22120841 ZWZXBDDIDFYTJA-UHFFFAOYSA-N 310.309 3.137 0 40 DGAB C[C@H](NCc1cc(Cl)c2c(c1)OCCO2)c1cccnc1 22792736 BBKMLEHXXPKAOY-NSHDSACASA-N 304.777 3.357 0 40 DGAB Cc1cccc(C(=O)N(C)C[C@@H]2COc3ccccc3O2)c1C 23183605 UIBMOLSEWSEMSG-OAHLLOKOSA-N 311.381 3.215 0 40 DGAB O=C(CN1CCC[C@@H]1c1ccc(F)cc1)Nc1nccs1 25446034 PWZCVXKQBIYLIS-CYBMUJFWSA-N 305.378 3.058 0 40 DGAB Cc1cc(NC(=O)CCc2c(C)nn(-c3ccccc3)c2C)no1 27979347 BPMVGDOACLZYGW-UHFFFAOYSA-N 324.384 3.357 0 40 DGAB Cc1nn(-c2ccccc2)c(C)c1CNC(=O)c1ccoc1C 28225230 RBRJLXJUMWWAIQ-UHFFFAOYSA-N 309.369 3.321 0 40 DGAB COC(=O)c1cccc(NC(=O)c2cccnc2Cl)c1C 29154722 DVDCZINXKNIPDK-UHFFFAOYSA-N 304.733 3.082 0 40 DGAB CCN(CC(=O)NC(C)(C)C)Cc1csc(C(C)(C)C)n1 29695933 PINYRZLIOFJSLK-UHFFFAOYSA-N 311.495 3.177 0 40 DGAB O=C(Nc1ccc(-n2cccn2)nc1)c1ccc2ccccc2n1 32752995 GWXXVDYOVNBUMD-UHFFFAOYSA-N 315.336 3.068 0 40 DGAB Oc1ccc(C2=CCN(C[C@@H](O)c3ccc(F)cc3)CC2)cc1 32900856 PPSIVNSNXZCCDD-LJQANCHMSA-N 313.372 3.354 0 40 DGAB CC(C)c1noc(-c2ccccc2OCC(=O)NC(C)(C)C)n1 35476148 VJXIAMBNHVXPSC-UHFFFAOYSA-N 317.389 3.154 0 40 DGAB COc1ccc(C2=NO[C@@H](C(=O)Nc3c(C)cccc3C)C2)cc1 36615405 XMZPMXVVJPXJHP-QGZVFWFLSA-N 324.380 3.444 0 40 DGAB CC(C)(C)N[C@@H](NC(=O)c1ccccc1)C(=O)c1ccccc1 36664753 YWOUDHZNBHBXJT-QGZVFWFLSA-N 310.397 3.014 0 40 DGAB CN(Cc1ccco1)C(=O)CN1CCC[C@H]1c1cccs1 41106770 NQVFQAGEXFJBDD-AWEZNQCLSA-N 304.415 3.137 0 40 DGAB CCOC(=O)[C@H]1CC(=O)N(c2ccc3c(c2)Cc2ccccc2-3)C1 45958354 LTLABVDIHQCELX-HNNXBMFYSA-N 321.376 3.174 0 40 DGAB CCOc1cc(C)ccc1NC(=O)NCc1nc(C)cs1 47764565 XUAZEONXBFXANB-UHFFFAOYSA-N 305.403 3.480 0 40 DGAB CCCNC(=O)Nc1ccc(C(=O)NCC(C)C)c(Cl)c1 48141240 FVTFNEFKYPHHQI-UHFFFAOYSA-N 311.813 3.257 0 40 DGAB Cc1cc(Cn2cc(-c3cnn(-c4ccccc4)c3)cn2)no1 49581370 VZWJESIHHAJINL-UHFFFAOYSA-N 305.341 3.081 0 40 DGAB O=C(NCCc1cccs1)c1cc(-c2cccs2)n[nH]1 51315986 DJPMNCRBXOKOMR-UHFFFAOYSA-N 303.412 3.172 0 40 DGAB O=C(CSCc1ccncc1)Nc1ccc(-c2cc[nH]n2)cc1 53798859 YYNYKJYBMOMLLN-UHFFFAOYSA-N 324.409 3.344 0 40 DGAB CC(=O)c1c(C)[nH]c(C(=O)N2CCC[C@H]2c2ccccn2)c1C 55515470 KHSVDUZFOXAOFQ-HNNXBMFYSA-N 311.385 3.206 0 40 DGAB O=C(CSc1ccccc1)NCc1ccccc1-n1ccnc1 55695999 IKNUETSLQZYVKK-UHFFFAOYSA-N 323.421 3.281 0 40 DGAB O=C(c1cnc(-c2ccccc2)s1)N1CCO[C@@H]2CCC[C@@H]21 56193365 XHIYSOMDVXOHIP-UONOGXRCSA-N 314.410 3.204 0 40 DGAB CS[C@@H](C)C(=O)Nc1ccccc1-c1nc(C(C)C)n[nH]1 58263968 ZMLHUXYVFXJPKK-JTQLQIEISA-N 304.419 3.285 0 40 DGAB CN(C)c1ccc(C(=O)N2CCC[C@H]2c2ccncc2)cc1F 58296069 ZMVGZOLDPHBOLP-INIZCTEOSA-N 313.376 3.264 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)Nc2cc(C(C)C)n[nH]2)c1 58315447 VYVPCJGCIJZYRO-GFCCVEGCSA-N 315.373 3.142 0 40 DGAB COc1cc(C(C)=O)ccc1SCC(=O)Nc1ccccn1 61373760 VPTBSELPPMWKAT-UHFFFAOYSA-N 316.382 3.024 0 40 DGAB Cc1cccc(C)c1NC(=O)CCc1nc(-c2cccnc2)no1 64799685 HEUWJYXZCQAVMU-UHFFFAOYSA-N 322.368 3.320 0 40 DGAB O=C(CCc1ccccc1OC(F)(F)F)NCc1ccccn1 66266925 NEJWEQVVXMZEOG-UHFFFAOYSA-N 324.302 3.229 0 40 DGAB COCc1cc(C[C@@H]2C[C@H](NC(=O)CC(C)(C)C)C2(C)C)no1 67889859 CKJHPPVSYBRPNG-DOMZBBRYSA-N 322.449 3.331 0 40 DGAB biogenic,in-vitro C[C@H](Cc1ccc(O)cc1)NC(=O)c1ncc(C(C)(C)C)o1 69737942 LJBLFTKHYSHFBL-LLVKDONJSA-N 302.374 3.039 0 40 DGAB COc1ccc(-c2nc(CCNCc3ccncc3)co2)cc1 71857544 UKQMLVQJGFYQPN-UHFFFAOYSA-N 309.369 3.078 0 40 DGAB Cc1ccccc1CN(Cc1ccccn1)C(=O)[C@H]1CCCO1 71900195 NNRPCDWPJMVXPJ-GOSISDBHSA-N 310.397 3.098 0 40 DGAB COc1ccc(N2C(=O)[C@@H](N)[C@H]2c2ccc(C)cc2)cc1Cl 72227894 UYSUITJIZRLCAG-JKSUJKDBSA-N 316.788 3.072 0 40 DGAB c1ccc(Nc2nc([C@@H]3CCCN3c3ccncn3)cs2)nc1 72384841 OPXSBYONROWSEL-ZDUSSCGKSA-N 324.413 3.413 0 40 DGAB CN1CCC[C@@H](C(=O)NC(c2ccccc2)c2ccccc2)C1 72829245 KXZHTSHYQNYVQR-GOSISDBHSA-N 308.425 3.234 0 40 DGAB Cc1nc(C(=O)Nc2ccc(Br)c(C)n2)cs1 74240292 WHZWAQALIJWGPH-UHFFFAOYSA-N 312.192 3.170 0 40 DGAB Cc1ccccc1-c1cc(NC(=O)CCCn2ccnc2)n(C)n1 74285783 RTLJLYBIAOKXFJ-UHFFFAOYSA-N 323.400 3.011 0 40 DGAB O=C(c1cncc2ccccc12)N1CCN(c2ccccc2)CC1 74473302 UIQBSVLMOPGDAQ-UHFFFAOYSA-N 317.392 3.197 0 40 DGAB Cc1nc([C@@H]2CCCN2C(=O)c2ccc3c(c2)CCCC3)no1 76043084 NLNVPAPKLOHBSY-INIZCTEOSA-N 311.385 3.234 0 40 DGAB CSC[C@@H](C)C(=O)N(Cc1ccncc1)Cc1cccnc1 79048827 IVXGFYRBQAYEED-CQSZACIVSA-N 315.442 3.005 0 40 DGAB CCn1cc(NC(=O)c2cccc(-c3noc(C4CC4)n3)c2)cn1 79537426 FKJMQQZJIGCBHX-UHFFFAOYSA-N 323.356 3.083 0 40 DGAB COc1ccc([C@H]2CCCN2c2nnc(C)s2)c(OC)c1 84291754 HFOBZSCWPFFTRP-CYBMUJFWSA-N 305.403 3.205 0 40 DGAB Cc1ccccc1CC1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C1 85478038 QFAVEOWXOCZQBO-UHFFFAOYSA-N 311.429 3.330 0 40 DGAB CN(C)C(=O)CCCC(=O)Nc1cc(Cl)ccc1NC1CC1 89310404 YUQKHFXJQVMBSO-UHFFFAOYSA-N 323.824 3.111 0 40 DGAB O=C(Cc1ccc(Cl)cc1)Nc1ccccc1-n1ccnn1 89814135 BIBDPQWQMMGUMF-UHFFFAOYSA-N 312.760 3.102 0 40 DGAB O=C(Cc1ccc2c(c1)OCO2)Nc1cnc2ccccc2c1 89873050 COKGCZAGTZUMNF-UHFFFAOYSA-N 306.321 3.145 0 40 DGAB O=C(O)CCc1nc2scc(-c3ccc(Cl)cc3)n2n1 95095796 BWTHDJXUPAYZIC-UHFFFAOYSA-N 307.762 3.128 0 40 DGAB CCC(=O)Nc1nnc(CCOc2cc(C)cc(C)c2)s1 95116438 QXNPNKALAPOKRS-UHFFFAOYSA-N 305.403 3.125 0 40 DGAB C[C@@H](NCCNC(=O)OC(C)(C)C)c1ccc2ccccc2n1 95421471 UTPGPPFYUSOLHG-CYBMUJFWSA-N 315.417 3.410 0 40 DGAB Cc1nc(CSCc2ccc(OCC(F)(F)F)nc2)no1 95428150 KDRRLWYDQSBZFV-UHFFFAOYSA-N 319.308 3.148 0 40 DGAB C[C@@H](NC(=O)c1ccc2[nH]ccc2c1)[C@H](O)c1ccc(F)cc1 95429976 PICLRCSJYAUICD-DIFFPNOSSA-N 312.344 3.159 0 40 DGAB CCO[C@H](C)c1nc(CONC(=O)OC(C)(C)C)cs1 95430852 SUBMGIBWRJGIMH-SECBINFHSA-N 302.396 3.197 0 40 DGAB O=C(Nc1cccc(-c2cn[nH]c2)c1)[C@@H]1OCCc2ccccc21 95446762 VWPXDWUHOQPTNQ-GOSISDBHSA-N 319.364 3.329 0 40 DGAB CC(C)Oc1cccc(NC(=O)c2ccccc2CC(=O)O)c1 95929442 NTCOPYRRGWTSKS-UHFFFAOYSA-N 313.353 3.353 0 40 DGAB Cc1cc(C)cc(CCNC(=O)NCc2cnc(C)s2)c1 95960991 XZMOEDNQRPNVCL-UHFFFAOYSA-N 303.431 3.110 0 40 DGAB CCS[C@@H]1CC[C@H](NCc2cn(C)nc2-c2cccnc2)C1 95990117 YIZKPLWZCDNGCI-JKSUJKDBSA-N 316.474 3.246 0 40 DGAB CC(C)(C)OC(=O)N1CCC(CN)(Cc2cccc(F)c2)CC1 96029498 ZYVKHKDKESMFBF-UHFFFAOYSA-N 322.424 3.344 0 40 DGAB c1csc(CN2CCCn3cnc(COCC4CC4)c3C2)c1 96059014 AVKWVWTVFRHSIJ-UHFFFAOYSA-N 317.458 3.277 0 40 DGAB CO[C@H]1CCN(CC2CCOCC2)C[C@@H]1Cc1cccc(C)c1 96110534 HSVAJZRWDUKAAW-PMACEKPBSA-N 317.473 3.301 0 40 DGAB CCCCc1nc(CNc2cc(F)c(F)cc2NC(C)=O)no1 96427483 LEANJVPWEUAQSF-UHFFFAOYSA-N 324.331 3.261 0 40 DGAB Cn1cc(C(=O)N[C@H]2CCCOc3c2ccc2ccccc32)cn1 96460404 GTOZZQZIWVKNTO-KRWDZBQOSA-N 321.380 3.217 0 40 DGAB CC(C)OCCN1CCC(N[C@@H]2CCc3ccccc3C2)CC1 96478990 PCDJULUULMYVNJ-HXUWFJFHSA-N 316.489 3.023 0 40 DGAB C[C@H]1CC(NC[C@@H]2CCCN(Cc3ccccc3)C2)C[C@H](C)O1 96493322 PTNWHLDIWJUVMX-LNLFQRSKSA-N 316.489 3.444 0 40 DGAB C[C@H](CC(=O)N1CCC[C@H](CCC(=O)O)C1)c1ccccc1 97045104 YRFKUHRSBMZFMI-HUUCEWRRSA-N 303.402 3.284 0 40 DGAB Cc1cc(F)cc(C(=O)N2CCC[C@H](C(C)(C)C(=O)O)C2)c1 97045162 KJUBZMYXTNWMFM-ZDUSSCGKSA-N 307.365 3.097 0 40 DGAB Cc1ncsc1CNc1nnc(CCc2ccccc2)o1 97045484 NLZRDRMITPYODS-UHFFFAOYSA-N 300.387 3.232 0 40 DGAB O=C(CCC(=O)N1CCCc2cccc(O)c21)c1cccs1 97048507 SCICKIXURZXGDM-UHFFFAOYSA-N 315.394 3.396 0 40 DGAB O=C1[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C(=O)N1c1cc(Cl)cc(Cl)c1 100394567 YBLZXUZBJJSUKZ-QQXRRDQMSA-N 308.164 3.305 0 40 DGAB CC(=O)c1cccc(OCC(=O)N[C@H](C)[C@@H]2C[C@H]3CC[C@H]2C3)c1 105697759 CGTQUDZXKYLKLL-XJOINEQPSA-N 315.413 3.209 0 40 DGAB CCOc1ccc(OCC(=O)N[C@H](C)[C@H]2C[C@H]3CC[C@H]2C3)cc1 106519757 LWPHRFLXYGBXNO-LDDOYCOJSA-N 317.429 3.405 0 40 DGAB COC(=O)CCCC(=O)N(C)c1c(Cl)cccc1Cl 159211372 WGTFDPIGTILESS-UHFFFAOYSA-N 304.173 3.300 0 40 DGAB COc1ccc(CC(=O)NCCOc2cc(C)ccc2C)cc1 224022573 CVLFKZCEGHFGJU-UHFFFAOYSA-N 313.397 3.050 0 40 DGAB CCOc1cccc(N(CC)S(=O)(=O)c2ccc(F)cc2)c1 224921815 FAMBOLNBWYFGNX-UHFFFAOYSA-N 323.389 3.440 0 40 DGAB Nc1cc(C(=O)O)ccc1N1CCC(Cc2ccccc2)CC1 225322765 WEDAPWVNPNRRBY-UHFFFAOYSA-N 310.397 3.426 0 40 DGAB COC(=O)[C@@H]1C[C@@H](C(F)(F)F)CC2(C1)SCCS2 225757725 NXQICXCXFQIZLR-HTQZYQBOSA-N 300.367 3.314 0 40 DGAB Cc1cccc(NC(=S)NCCOc2ccccc2Cl)n1 225780916 ROXHHHTYQFNBHN-UHFFFAOYSA-N 321.833 3.409 0 40 DGAB Cc1ccc(NC(=O)c2cccnc2O[C@H]2CCOC2)cc1C 244998794 KTTHNTBVYQHOBG-HNNXBMFYSA-N 312.369 3.118 0 40 DGAB CC[C@@H](C)[C@@H](OC)C(=O)Nc1ccc(Br)c(C)n1 331194671 YHWAQLTZBNTICX-PRHODGIISA-N 315.211 3.152 0 40 DGAB O=C(O)c1csc(CN2CCC[C@H]2Cc2ccc(F)cc2)n1 517949053 QSGXLBZBYJUTAV-ZDUSSCGKSA-N 320.389 3.188 0 40 DGAB Cc1nc2cc(NC(=O)N[C@]34C[C@@H]3COC4(C)C)ccc2s1 529050806 DOZLTGXFXIOOBE-QLJPJBMISA-N 317.414 3.294 0 40 DGAB Cc1cncc(N(Cc2ncc[nH]2)C(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)c1 555513208 XYDZWADSQLKJGQ-JYJNAYRXSA-N 324.428 3.473 0 40 DGAB CCCC1(O)CCN(C(=O)c2scc(C)c2Cl)CC1 585083355 UXNOLMSNFFTMMQ-UHFFFAOYSA-N 301.839 3.477 0 40 DGAB COc1cc(CN(C)[C@@H](C)c2ncccn2)ccc1OC(F)F 585120825 NYURLPHFPIISFT-NSHDSACASA-N 323.343 3.280 0 40 DGAB O=C(NC[C@H]1CCc2cccnc21)c1cc(F)c(F)c(F)c1F 585122642 KGBXDTSMEKEMHJ-SECBINFHSA-N 324.277 3.098 0 40 DGAB CN(Cc1ccc(C(=O)O)cc1)C(=O)C[C@@H]1CCc2ccccc21 676009484 JYVLWXNTFCICHM-KRWDZBQOSA-N 323.392 3.463 0 40 DGAB Cc1ccc(/C=C2/N=C(c3ccc4c(c3)OCO4)OC2=O)cc1 62289 LAMJRMUMQCPIRW-RIYZIHGNSA-N 307.305 3.068 0 40 DGAB COc1ccc(N2C(=O)C[C@H]([C@@H](C)c3ccccc3)C2=O)cc1 281871 AXRGWJWMPSXWHE-SUMWQHHRSA-N 309.365 3.378 0 40 DGAB O=C(O)[C@H]1Cc2c([nH]c3ccccc23)[C@H](CCc2ccccc2)N1 352625 UKEVAKNXUXYFDV-ZWKOTPCHSA-N 320.392 3.441 0 40 DGAB biogenic CCOc1cc(Cl)c(S(=O)(=O)N2CCCC2)cc1Cl 384714 JYMSPNBIACARRP-UHFFFAOYSA-N 324.229 3.177 0 40 DGAB Cc1ccc(/C=C2/NC(=O)N(Cc3ccc(F)cc3)C2=O)cc1 478984 WZSUWEBQIFXSPN-MHWRWJLKSA-N 310.328 3.227 0 40 DGAB CCC(=O)Nc1ccc(NC(=O)c2ccccc2Cl)nc1 1352696 KAMCVXHZSITROM-UHFFFAOYSA-N 303.749 3.336 0 40 DGAB NC(=O)C1(NC(=O)c2ccc(-c3ccccc3)cc2)CCCCC1 3850882 AZKAKWLNMWHDLI-UHFFFAOYSA-N 322.408 3.272 0 40 DGAB biogenic Cc1cccc(OCC(=O)Nc2nnc(C(C)C)s2)c1C 4337879 VTHOZMFRKCMASY-UHFFFAOYSA-N 305.403 3.296 0 40 DGAB Cc1ccc([C@H]2CC(=O)Oc3c2c(=O)n(C)c2ccccc32)cc1 4944161 WROABYOLRQWNDF-OAHLLOKOSA-N 319.360 3.288 0 40 DGAB COc1cn(-c2ccccc2)nc1C(=O)OCc1ccccc1 5149536 YHCPIAYIGMLLHS-UHFFFAOYSA-N 308.337 3.238 0 40 DGAB COc1ccc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)cc1 5388788 GMCFREFYHMBQLC-UHFFFAOYSA-N 310.328 3.106 0 40 DGAB CCCCC(=O)NC(=S)Nc1cccc(NC(=O)C(C)C)c1 5859566 AXNUQHYDPNHPOD-UHFFFAOYSA-N 321.446 3.284 0 40 DGAB O=S(=O)(Nc1cccc2cccnc12)c1cc(F)cc(F)c1 6659110 WZFBMTIWOZGMMR-UHFFFAOYSA-N 320.320 3.314 0 40 DGAB Cn1c(SCC(=O)c2cc3ccccc3o2)nnc1C1CC1 7235554 UDCNVBSHGPASQM-UHFFFAOYSA-N 313.382 3.414 0 40 DGAB Cc1cc(COc2ccccc2C(=O)NCc2ccccc2)no1 7834785 HSZATHFLUINTEC-UHFFFAOYSA-N 322.364 3.492 0 40 DGAB Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C)c(C)c1 8333296 HBOROGHAXAZFBS-IUODEOHRSA-N 302.418 3.245 0 40 DGAB COc1ccc(NC(=O)CN2CCC[C@H]2c2ccccc2)cc1 8748176 FXQVMEZQPDTLNE-SFHVURJKSA-N 310.397 3.471 0 40 DGAB COc1cc(C)ccc1O[C@@H](C)C(=O)NCc1ccc(F)cc1 9722713 VSEMIRNCBLGSBP-ZDUSSCGKSA-N 317.360 3.226 0 40 DGAB COc1ccc2[nH]cc(CCNC(=O)c3cccc(C)c3)c2c1 10146602 UQHDWYBASYOKLX-UHFFFAOYSA-N 308.381 3.457 0 40 DGAB CN1C(=O)C(C)(C)COc2cc(NC(=O)C3CCCC3)ccc21 10971870 FHMBRLRTNFLZOR-UHFFFAOYSA-N 316.401 3.197 0 40 DGAB O=C(C[C@H]1C=CCC1)Nc1nc2cc3c(cc2s1)OCCO3 11751955 GXXWFTFPSJOOJX-JTQLQIEISA-N 316.382 3.362 0 40 DGAB Cc1ccc(CCC(=O)Nc2ccc3c(c2)NC(=O)[C@@H](C)O3)cc1 12352020 GRAOSOWNPLKREM-CYBMUJFWSA-N 324.380 3.286 0 40 DGAB O=C(N[C@@H]1CCCc2c1cnn2Cc1ccccc1)C1CCC1 13267161 SPQKEFAPQPHSOY-QGZVFWFLSA-N 309.413 3.225 0 40 DGAB COC(=O)c1ccc(C)c(NC(=O)/C=C/c2ccsc2)c1 14068027 LOIGTQILNRTAFW-GQCTYLIASA-N 301.367 3.495 0 40 DGAB CCCCNc1nnc(SCC(=O)N[C@@H](C)C(C)C)s1 14093549 MSLQTLXBNOQGCH-JTQLQIEISA-N 316.496 3.003 0 40 DGAB C[C@H]1Oc2ccccc2O[C@H]1C(=O)Nc1ccc(F)c(F)c1 14164474 JIQQFTFSONOILW-RFAUZJTJSA-N 305.280 3.132 0 40 DGAB COC(=O)c1ccccc1N(C)C(=O)Nc1ccccc1F 16188857 XZUFUWJQYARIHG-UHFFFAOYSA-N 302.305 3.281 0 40 DGAB Cc1cc(C)c(N2C(=O)C[C@H](NC3CCCCC3)C2=O)c(C)c1 17084923 SYEKRIPBDXEWNZ-INIZCTEOSA-N 314.429 3.166 0 40 DGAB Cc1ccc(C(=O)Nc2ccc(O)c(C(=O)O)c2)cc1Cl 20139352 KJEXRGGNCDQOHP-UHFFFAOYSA-N 305.717 3.305 0 40 DGAB Cc1ccsc1C(=O)O[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C 21343739 ROYAYUGRYGJSTN-RTXFEEFZSA-N 309.431 3.297 0 40 DGAB CCc1cc(I)cc2sc(N)nc12 22125104 BHGKOAYONMBLBQ-UHFFFAOYSA-N 304.156 3.046 0 40 DGAB CC[C@H](Oc1cccc(OC)c1)C(=O)Nc1cccc(OC)c1 22530360 WQFKMTASFOZJAY-KRWDZBQOSA-N 315.369 3.500 0 40 DGAB CC(C)(C)C(=O)NCCCC(=O)Nc1cccc2cccnc12 25446394 KRNPUAPSSAKRAK-UHFFFAOYSA-N 313.401 3.116 0 40 DGAB Cc1cccc(CNC(=O)CCc2ccc3c(c2)OCCO3)c1 26023270 VQHUDDPJYDIXIT-UHFFFAOYSA-N 311.381 3.015 0 40 DGAB CCN(c1ccc(Cl)cc1)S(=O)(=O)c1ccc(N)cc1 28643024 NZHFTVBZYQDWJE-UHFFFAOYSA-N 310.806 3.137 0 40 DGAB Cc1nc(-c2ccccc2)c(C(=O)NCc2cccnc2)s1 29631311 IQYUDADIANABHS-UHFFFAOYSA-N 309.394 3.444 0 40 DGAB COc1cc(OC)c(NC(=O)OCC(F)(F)F)cc1Cl 32628778 AFNJYJUORFDXQJ-UHFFFAOYSA-N 313.659 3.468 0 40 DGAB Cc1cc(NC(=O)CCN(Cc2ccccc2F)C2CC2)no1 32759783 VXCDEFVUXGDJMM-UHFFFAOYSA-N 317.364 3.115 0 40 DGAB CCOC(=O)[C@@H]1CCCN(C(=O)Nc2ccc(C)c(C)c2)C1 33923792 IOQVSDVWKATXIO-CQSZACIVSA-N 304.390 3.110 0 40 DGAB CC[C@H](C)Oc1ccc(C(=O)O)cc1I 39951779 OHACQAGAZPBNIP-ZETCQYMHSA-N 320.126 3.167 0 40 DGAB Ic1ccc(OCc2ccncc2)cc1 42274335 HZVYRYPHZHGTOZ-UHFFFAOYSA-N 311.122 3.265 0 40 DGAB CCCCc1ccc(NC(=O)[C@H]2CC(=O)N(C(C)C)C2)cc1 46119551 DUGHUQWACXVDKO-HNNXBMFYSA-N 302.418 3.225 0 40 DGAB O=C(NC[C@@H]1Cc2ccccc2O1)N1CC[C@@H]1c1ccccc1 46875856 GHWIMRQGDQUYSJ-DLBZAZTESA-N 308.381 3.147 0 40 DGAB C[C@@H](NC(=O)C1CCCC1)C(=O)N1CCC[C@@H]1c1ccsc1 48374680 FRNPETHFAIUDIV-IUODEOHRSA-N 320.458 3.107 0 40 DGAB Cc1nccn1-c1ccc(CNCc2ccc(F)c(F)c2)cn1 48782312 DENNKJINCWNHGE-UHFFFAOYSA-N 314.339 3.144 0 40 DGAB Cc1nc(-c2cccs2)ccc1C(=O)NC[C@H]1CCCO1 57913132 OXZWACLYBIIAKR-GFCCVEGCSA-N 302.399 3.027 0 40 DGAB CCONC(=O)c1csc(-c2ccc(OC(C)C)cc2)n1 58203205 DUEIVMXRNFOMDS-UHFFFAOYSA-N 306.387 3.279 0 40 DGAB CC(C)c1cc(C(=O)N(Cc2ccco2)CC(F)(F)F)n[nH]1 58382003 WJRQIIUGMLDHKR-UHFFFAOYSA-N 315.295 3.331 0 40 DGAB CC(C)C(=O)N1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 65475168 VHVFFGZLXMDIDL-UHFFFAOYSA-N 323.824 3.062 0 40 DGAB C[C@H]1CCCN(C(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 65491992 FMPJPBGQYXJZRN-WFASDCNBSA-N 318.442 3.138 0 40 DGAB CC(=O)Nc1cc(NC(=O)[C@@H]2COc3ccccc3C2)ccc1C 65567309 CRNCNTIKDBFHNR-HNNXBMFYSA-N 324.380 3.143 0 40 DGAB Cc1cnc(C(=O)N2CC3(CCCC3)c3c(F)cccc32)cn1 65607683 XHPFFOUGAUNFQX-UHFFFAOYSA-N 311.360 3.396 0 40 DGAB Cc1ccc(F)c(NC(=S)NCc2ccc(CO)c(F)c2)c1 65703961 DDZMMDQUHVSGMQ-UHFFFAOYSA-N 322.380 3.252 0 40 DGAB COc1cccc(CCCNC(=O)[C@@H](C)Oc2ccccc2)c1 66435521 PAEDOXFIZSJYEL-OAHLLOKOSA-N 313.397 3.212 0 40 DGAB O=C1COc2ccccc2CN1c1ccccc1Br 67323876 CVEMSOKEDYCTQC-UHFFFAOYSA-N 318.170 3.375 0 40 DGAB Fc1cccc(OCCOc2ccc(-c3nnco3)cc2)c1 69437712 XNULTAUJFMRMHR-UHFFFAOYSA-N 300.289 3.334 0 40 DGAB Cc1cccc([C@@H]2C[C@@H]2C(=O)N2CCC[C@H](n3ccnc3C)C2)c1 69919088 MDTCRGJQRFINDQ-FHWLQOOXSA-N 323.440 3.467 0 40 DGAB O=C(NCCc1cccc(Cl)c1)[C@H]1COc2ccccc2C1 70710515 AGANFXLJSIUCPL-OAHLLOKOSA-N 315.800 3.250 0 40 DGAB CC(C)(CNC(=O)N1CCC[C@@H](CO)C1)c1ccccc1Cl 71795693 GAESVCMBYFVASR-CYBMUJFWSA-N 324.852 3.032 0 40 DGAB C[C@H](c1nc(-c2cccnc2)no1)N1CCC(n2cccc2)CC1 71904293 JYUBWVWWEDUCBF-CQSZACIVSA-N 323.400 3.331 0 40 DGAB NC(=S)Nc1ccc(NC(=O)c2cc3ccccc3o2)cc1 72229687 PVOOANJARGEGSI-UHFFFAOYSA-N 311.366 3.341 0 40 DGAB CSc1ccc(CNC(=O)c2nn(C)c3ccccc23)cc1 72331714 JKQIGSFPVYYGKO-UHFFFAOYSA-N 311.410 3.225 0 40 DGAB CSC[C@@H](C)C(=O)N(C)Cc1nc(C(F)(F)F)cs1 74467381 MQZMGMWYKYVROE-SSDOTTSWSA-N 312.382 3.119 0 40 DGAB COc1ccc(-n2ccc(C(=O)N(C)[C@@H](C)C3(C)CC3)n2)cc1 75108007 BQLDIMRAWQXBNH-ZDUSSCGKSA-N 313.401 3.142 0 40 DGAB C[C@](O)(CNC(=O)c1cc2cccc(F)c2o1)c1ccsc1 76085069 ZDPRJLLIUQDXSR-INIZCTEOSA-N 319.357 3.271 0 40 DGAB Cc1cc(C)cc(OCCNC(=O)N[C@H](C)c2nccs2)c1 78602466 VKGSWDMMLQDHFB-CYBMUJFWSA-N 319.430 3.199 0 40 DGAB C[C@@H](NS(=O)(=O)c1cccc2ccccc12)c1nccs1 83991046 FPDIPWNCARRFGP-LLVKDONJSA-N 318.423 3.336 0 40 DGAB O=C(/C=C/c1cnccn1)Nc1ccccc1N1CCCCC1 84506017 AYWWXNRNEWLKOX-CMDGGOBGSA-N 308.385 3.119 0 40 DGAB O=C(NCCc1ccc(O)cc1)[C@H]1CCCC[C@@H]1C(F)(F)F 89787463 WJYMZNNYQKIESV-KBPBESRZSA-N 315.335 3.420 0 40 DGAB O=C(Nc1ccccc1O[C@@H]1CCOC1)N1C[C@@H]2CCC[C@H]2C1 89814140 GXZUYJLSWKWZCG-SOUVJXGZSA-N 316.401 3.118 0 40 DGAB c1ccc2c(c1)OC1(CCC1)C[C@@H]2N[C@@H]1CCc2[nH]ncc2C1 90456007 JPMPUHWZCBZPEI-PBHICJAKSA-N 309.413 3.303 0 40 DGAB C[C@H](N(C)C(=O)[C@@H](c1c(F)cccc1F)N(C)C)C1(C)CC1 91932245 DEHWJUBJLJRMAM-XHDPSFHLSA-N 310.388 3.215 0 40 DGAB CC(C)(C)[C@H](NC(=O)N1CCCN2CCC[C@@H]2C1)c1ccco1 95400336 AZULOVQUFNNFDQ-GDBMZVCRSA-N 319.449 3.247 0 40 DGAB C[C@@H]1CC[C@H](CCC(=O)N(C)C[C@H]2OCCc3ccccc32)O1 95404190 OJWQLUGFFODLKU-QGPMSJSTSA-N 317.429 3.107 0 40 DGAB CCCOc1ccc(Cl)cc1C(=O)N(C)Cc1cc[nH]n1 95407959 HSFWLJXGIYDDPS-UHFFFAOYSA-N 307.781 3.124 0 40 DGAB Cc1cccc2nc(CN[C@H](C)c3nc4c(s3)CCC4)cn12 95451003 QHAJESJOEGRDOO-GFCCVEGCSA-N 312.442 3.439 0 40 DGAB COc1ccc(-c2ccnc3nc(CC(C)C)nn23)c(F)c1 95474474 RTQBLYQGXVQEOY-UHFFFAOYSA-N 300.337 3.138 0 40 DGAB CC1(C)CCN(C(=O)[C@H]2CC=CC[C@H]2C(=O)O)c2ccccc21 96100839 RMWIIMFQNFCQMW-UONOGXRCSA-N 313.397 3.368 0 40 DGAB CCOC[C@@H]1COCCC12CCN(C(=O)C1=CCCCC1)CC2 96106434 MELLYQSOBVETJN-QGZVFWFLSA-N 321.461 3.169 0 40 DGAB COc1ccccc1[C@@H](CNC(=O)/C=C/c1ccsc1)OC 96384773 CNGYCSQXCFMAAJ-KXPUMZMLSA-N 317.410 3.274 0 40 DGAB CC(C)Oc1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 96421852 HJLYSYDFJKPDNY-WQVCFCJDSA-N 318.417 3.409 0 40 DGAB Cc1nnc([C@@H](C)Sc2nnc(CCc3ccccc3)o2)o1 96430418 CRSCPQWXAZYFMO-SNVBAGLBSA-N 316.386 3.400 0 40 DGAB Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCc1nccn1C 96436344 CWUCCOIEPGBYKP-AWEZNQCLSA-N 314.433 3.115 0 40 DGAB CS(=O)(=O)CCCCS[C@H]1CCc2c(F)cccc21 96469265 NFLHXFGJDRWJSL-AWEZNQCLSA-N 302.436 3.371 0 40 DGAB CC[C@@H]([C@@H](O)c1ccc(Cl)cc1Cl)S(=O)(=O)CC 96519586 PQQKPQCWSDGECH-RYUDHWBXSA-N 311.230 3.240 0 40 DGAB CN(Cc1cccs1)C(=O)Cn1ccnc1-c1cccs1 97037378 LCRNRIAZEMRXSU-UHFFFAOYSA-N 317.439 3.332 0 40 DGAB c1cc([C@@H]2CCCN2Cc2nnc(C3CC3)n2C2CC2)ccn1 97083906 CVZJWDHPQUXWEY-INIZCTEOSA-N 309.417 3.223 0 40 DGAB CC(=O)N1N=C(c2ccc(C)o2)C[C@@H]1c1nc2ccccc2n1C 97105801 WUOQVXZUZCMJFQ-MRXNPFEDSA-N 322.368 3.172 0 40 DGAB Cc1ncc2c(n1)C[C@H]1CC[C@H]2N1Cc1ccc(F)c(F)c1 100189334 QEKDWYHAOOKXPL-SJKOYZFVSA-N 301.340 3.325 0 40 DGAB O=C(O)c1ccnn1-c1ccc2ccc(-c3ccccc3)cn12 110074961 JAVVLCADCKBAAT-UHFFFAOYSA-N 303.321 3.490 0 40 DGAB CC(C)(C)OC(=O)N1C[C@H]2C[C@@H](NCc3ccccc3)C[C@H]2C1 148455277 YIZIAOOGEHHUIX-BJWYYQGGSA-N 316.445 3.422 0 40 DGAB COc1cc2cc(C(=O)c3c(C)noc3C)oc2cc1OC 186827351 MYSZYRNJFCIMGT-UHFFFAOYSA-N 301.298 3.286 0 40 DGAB CCOC(=O)[C@H](C)[C@@H](C)NC(=O)Nc1ccsc1Cl 192981820 GSBKKUDMAHHDRK-HTQZYQBOSA-N 304.799 3.111 0 40 DGAB Cc1cccc(NC(=O)N2CCC[C@H](C3(C)OCCO3)C2)c1F 195560114 ASRAUIOHYGRUOC-ZDUSSCGKSA-N 322.380 3.141 0 40 DGAB CCOc1ccc(S(=O)(=O)NCC(C)(C)C)cc1Cl 223011225 IKPXLQAZDLUUSP-UHFFFAOYSA-N 305.827 3.063 0 40 DGAB O=C(OCc1cccnc1)c1snnc1-c1cccs1 223848279 JZZMAHHWTWBTPC-UHFFFAOYSA-N 303.368 3.019 0 40 DGAB CCc1ccccc1NC(=O)Nc1c(C)nc(N(C)C)nc1C 224297608 BTGFSRRNZYLTJE-UHFFFAOYSA-N 313.405 3.366 0 40 DGAB CCOc1ccccc1C[C@@H](OCc1ccccc1)C(=O)O 225106255 YTBQMUVGBFZLRN-QGZVFWFLSA-N 300.354 3.298 0 40 DGAB CCC(=O)N1CCN(c2ccc(-n3cccc3)cc2Cl)CC1 226245206 VQASEMVJSWIFLO-UHFFFAOYSA-N 317.820 3.189 0 40 DGAB COc1cc(NC(=O)C(C)C)ccc1-c1ccc(C(=O)O)o1 226352610 YYPWDEOGBYCIQB-UHFFFAOYSA-N 303.314 3.248 0 40 DGAB C[C@H](Oc1ccn(-c2ccccc2)n1)C(=O)N1CCCCCC1 226852780 ZUNNJISLUZUFFC-HNNXBMFYSA-N 313.401 3.042 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@]2(c3ccccc3)NCCC[C@H]12 228975113 XRRQIGUDVJTTIW-MAUKXSAKSA-N 302.418 3.275 0 40 DGAB Cc1cncc([C@@H]2CCCN(C(=O)C3(c4ccccc4)CC3)C2)n1 257232677 GLXKSQHJUCKZHY-MRXNPFEDSA-N 321.424 3.223 0 40 DGAB c1ccc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)nc1 257268562 MMGASCKGCDGIOG-IBGZPJMESA-N 305.381 3.203 0 40 DGAB CCN(C(=O)c1scnc1C)[C@H]1CN(C)C2(CCCCC2)C1 257306082 SSUYHKIHLDSTQA-CQSZACIVSA-N 321.490 3.321 0 40 DGAB c1ccc(/N=c2\scc(-c3ccccc3)n2-n2cnnc2)cc1 409377531 HZHAEFGKSWDXEI-JZJYNLBNSA-N 319.393 3.352 0 40 DGAB C[C@@H]1CC(C(=O)O)C[C@@H](C)N1Cc1cn2cc(Cl)ccc2n1 530180446 ZWHMIKAIYGUSBO-GHMZBOCLSA-N 321.808 3.061 0 40 DGAB COC(=O)c1[nH]ccc1OCCCOc1ccc(Cl)cc1 551362695 GOOAQFLBCRVACC-UHFFFAOYSA-N 309.749 3.303 0 40 DGAB CO[C@](C)(C(=O)NCc1ccnc(Cl)c1)c1ccccc1F 585088285 SRPJAQGMADSTCP-INIZCTEOSA-N 322.767 3.052 0 40 DGAB CCCCN1CCC[C@@]2(CCC(=O)N2Cc2cncs2)CC1 585100489 LFXAFCKPDJBALY-QGZVFWFLSA-N 321.490 3.290 0 40 DGAB CC(=O)c1cccc(NC(=O)NC2(C(F)(F)F)CCC2)c1 585140014 ACJRQGSSQDWRMU-UHFFFAOYSA-N 300.280 3.496 0 40 DGAB O=C(O)c1cnc(/C=C/c2ccc(O[C@H]3CCOC3)cc2)s1 656612631 HUHYRYNSAHYUHV-YIALFULDSA-N 317.366 3.179 0 40 DGAB O=C(COc1ccc(F)cc1)N1CC[C@@H](c2ccsc2)C1 670944335 RVJQGCNYXKLIFX-GFCCVEGCSA-N 305.374 3.282 0 40 DGAB CCN1CCN(c2nnc(-c3ccccc3)c3ccccc23)CC1 87209 WZDWXCACHMLWPD-UHFFFAOYSA-N 318.424 3.439 0 40 DGAB CCOC(=O)c1ccc(OC(=O)c2ccc(C)cc2)c(OC)c1 365510 DODOTISAKUCDRX-UHFFFAOYSA-N 314.337 3.400 0 40 DGAB CN(C)CCOC(=O)c1cn(Cc2ccccc2)c2ccccc12 493992 YKBOWZAAKMELLI-UHFFFAOYSA-N 322.408 3.408 0 40 DGAB CCCc1nc(SCC(=O)NC)c2c(C)c(C)sc2n1 1357861 KUKZGTHTHQUSAW-UHFFFAOYSA-N 309.460 3.099 0 40 DGAB CCCCCOc1ccc(C(=O)N[C@H](CC(C)C)C(=O)O)cc1 2292270 DLUSUFYRJJDNKI-MRXNPFEDSA-N 321.417 3.485 0 40 DGAB COc1ccc(C(C)=O)cc1COC(=O)c1ccc(C)cc1O 3512420 QNKONBSCHATFGJ-UHFFFAOYSA-N 314.337 3.269 0 40 DGAB CC(C)[C@H](C)NC(=O)CSc1nc2cc(Cl)ccc2[nH]1 3534831 CRWHLGCZAQGTHS-VIFPVBQESA-N 311.838 3.469 0 40 DGAB Cc1nc(OCC(=O)N[C@H]2CCCC[C@@H]2C)c2ccccc2n1 3562902 CHQMLDSNIMTPOQ-WFASDCNBSA-N 313.401 3.012 0 40 DGAB CCOC(=O)CCSc1ncnc2sc3c(c12)CCC3 4071371 RNAORBVOYCXAFQ-UHFFFAOYSA-N 308.428 3.225 0 40 DGAB COc1ccc2[nH]cc(C(=O)CN3C[C@H](C)C[C@@H](C)C3)c2c1 4812251 YXARWBMJFNHNLH-CHWSQXEVSA-N 300.402 3.337 0 40 DGAB CO[C@@]1(C)O[C@@]2(C)c3ccccc3C(=O)[C@@]2(c2ccccc2)O1 5767377 GGVQPBKXWZTTJW-GBESFXJTSA-N 310.349 3.361 0 40 DGAB COCCNC(=O)CSc1cc(C)c2cc(C)cc(C)c2n1 6788618 HKONUZGTRMAXQB-UHFFFAOYSA-N 318.442 3.015 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cccnc1Cl 7358024 JHZRTRYMMDQFST-LLVKDONJSA-N 301.777 3.125 0 40 DGAB Clc1ccccc1COc1ccc(CNn2cnnc2)cc1 7602382 UBAPTJJCSSAZTR-UHFFFAOYSA-N 314.776 3.254 0 40 DGAB CCCc1cc(C(=O)Nc2ccc(C(N)=O)cc2)sc1C 7770225 ITWAZFJNMPWVBB-UHFFFAOYSA-N 302.399 3.360 0 40 DGAB C[C@H](Sc1ccc2ccccc2n1)C(=O)NC[C@H]1CCCO1 8710633 BPOPHRVLUZCEHZ-GXTWGEPZSA-N 316.426 3.011 0 40 DGAB C[C@H](c1ccccc1)N(C)CC(=O)Nc1ccc2c(c1)OCO2 9387762 WUGWHFMDXOPEDI-CYBMUJFWSA-N 312.369 3.047 0 40 DGAB C[C@@H]1CCCCN1C[C@H](O)COCC12CC3CC(CC(C3)C1)C2 10383767 CLDPFFQOCOTUIH-ZPLIXLBSSA-N 321.505 3.455 0 40 DGAB Cc1ccc(C)c(S(=O)(=O)N[C@H]2CCc3ccccc32)c1 10752405 XRLCEEMJMHCFOU-INIZCTEOSA-N 301.411 3.269 0 40 DGAB C[C@@H](Nc1ccc(NC(=O)C2CC2)cc1)C(=O)Nc1ccccc1 10769595 OAZSQBMBOBNHCS-CYBMUJFWSA-N 323.396 3.474 0 40 DGAB C[C@H](N)c1nnc(SCc2cccc(Br)c2)o1 11904023 JRVDCDQJYONNPE-ZETCQYMHSA-N 314.208 3.144 0 40 DGAB COc1cccc(-c2ocnc2C(=O)N[C@H](C)c2ccncc2)c1 12115165 NAMQDUBRCDGWOV-GFCCVEGCSA-N 323.352 3.236 0 40 DGAB COc1cccc(C(=O)Nc2ccc(-c3nnc(C)o3)cc2)c1 12443858 TVMDFPIUMRDPOA-UHFFFAOYSA-N 309.325 3.306 0 40 DGAB CNC(=O)c1cc(-c2ccco2)n(-c2ccc(Cl)cc2)n1 12728426 RAVVCIMUJMDRMW-UHFFFAOYSA-N 301.733 3.145 0 40 DGAB CCc1cccc(C)c1NC(=O)CCNC(=O)c1ccsc1 12764725 DWMUDBCMNGTKOH-UHFFFAOYSA-N 316.426 3.378 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)c(F)c2)c2ccccc2N1 12937570 DVNDGHOCXQRKRW-NSHDSACASA-N 302.280 3.029 0 40 DGAB COc1ccccc1-n1nnnc1SCc1ccc(C)cc1 15226738 HBOACOGVDZUSGT-UHFFFAOYSA-N 312.398 3.272 0 40 DGAB O=C(OC(C(=O)O)(c1ccccc1)c1ccccc1)c1ccco1 20095894 JRTJSGYEIOENGG-UHFFFAOYSA-N 322.316 3.465 0 40 DGAB CCOC(=O)C1=C(N)C[C@@H](c2ccccc2)N[C@H]1c1ccccc1 20494382 QHPMSQMNAPOMBZ-HKUYNNGSSA-N 322.408 3.238 0 40 DGAB O=C(NCCc1ccccn1)c1ccc(CN2CCCCC2)cc1 21774813 FELMHHHMGHOEHZ-UHFFFAOYSA-N 323.440 3.040 0 40 DGAB Cc1ccc(-c2nc(CC(=O)Nc3nccs3)cs2)o1 31872898 VLBUFVMSBXVYKJ-UHFFFAOYSA-N 305.384 3.349 0 40 DGAB CCn1nc(-c2nn3c(-c4cccs4)nnc3s2)cc1C 32101852 JVTUUGOGAALWBZ-UHFFFAOYSA-N 316.415 3.106 0 40 DGAB C[C@@H]1Cc2ccccc2N1CC(=O)Nc1cc(C(C)(C)C)no1 32753201 PSGMPFCLZWXDBD-GFCCVEGCSA-N 313.401 3.362 0 40 DGAB CC[C@@H](C)NC(=O)c1cc(-c2ccco2)nc2c1c(C)nn2C 32899899 LUVHYCGIZTUBDP-SNVBAGLBSA-N 312.373 3.065 0 40 DGAB C[C@H]1CN(C(=O)CCCc2c[nH]c3ccccc23)C[C@H](C)O1 36022462 CHAMQVFFISBGDR-KBPBESRZSA-N 300.402 3.126 0 40 DGAB O=c1cc(CO)occ1OCc1ccc(Cl)c(Cl)c1 36262583 ZWBAOFIZUCHISW-UHFFFAOYSA-N 301.125 3.018 0 40 DGAB CCc1ccccc1N1C(=O)C[C@H](Nc2cccc(C)c2)C1=O 36635538 MQYCMTLCBRYCRU-INIZCTEOSA-N 308.381 3.301 0 40 DGAB O=C(CCOc1ccccc1)N1CCC(c2nccs2)CC1 40623426 GJWBSQPINMSIEO-UHFFFAOYSA-N 316.426 3.318 0 40 DGAB C[C@@H]1CCCC[C@H]1NC(=O)C(=O)Nc1ccc(Cl)cc1F 42646032 RTSGRIGKCUSBEE-BXKDBHETSA-N 312.772 3.113 0 40 DGAB Cc1cc(C)cc(C(=O)c2ccc(CN3CCOCC3)cc2)c1 43210849 FBRMCWKZGFPWJG-UHFFFAOYSA-N 309.409 3.367 0 40 DGAB O=C(CCc1ccsc1)NCc1ccc(-n2cccn2)cc1 45747164 UTXHTNMDOZHQBB-UHFFFAOYSA-N 311.410 3.183 0 40 DGAB CCOC(=O)N(C)c1ccc(NC(=O)N(C)CC2CC2)cc1 54530141 JKHKANMWOXGVNX-UHFFFAOYSA-N 305.378 3.153 0 40 DGAB O=c1c2ccccc2cnn1CN1CCC[C@H]1C1CCCCC1 54549857 ZDBICCCXIMIPQZ-SFHVURJKSA-N 311.429 3.399 0 40 DGAB O=C(NCc1ccncc1)N[C@H]1CCc2cc(Cl)ccc21 56909529 GBIMAYKCUICAMW-HNNXBMFYSA-N 301.777 3.222 0 40 DGAB Cc1cc(CNC(=O)C(c2ccccc2)c2ccccc2)on1 58425102 IVAUWWITUPSHPP-UHFFFAOYSA-N 306.365 3.431 0 40 DGAB Cc1ccc(NC(=O)C(=O)NCc2cccc(Cl)c2)cc1C 60775008 FMBALMIJCKRCDZ-UHFFFAOYSA-N 316.788 3.212 0 40 DGAB COc1nc(C(=O)N2CCn3cccc3[C@@H]2C)cc2ccccc12 65551787 XQQLVXPBCJOHJA-ZDUSSCGKSA-N 321.380 3.262 0 40 DGAB COc1c(C)cnc(CN(C)C(=O)c2ccc(F)cc2)c1C 65566398 KHHRMVLUGABDAT-UHFFFAOYSA-N 302.349 3.118 0 40 DGAB O=C(NCc1ccsc1)N1CCO[C@H](c2cccc(F)c2)C1 67059869 HCUKGIIDNRIMQW-HNNXBMFYSA-N 320.389 3.170 0 40 DGAB CCC(CC)C(=O)NC[C@@H]1CCN(c2cccc(OC)c2)C1 69416841 QNHNNSYPNHWWDO-AWEZNQCLSA-N 304.434 3.074 0 40 DGAB Cc1cccnc1NC(=O)c1ccnc(N2CCCC[C@@H]2C)c1 69484552 TZYCAPAFDUUZFK-AWEZNQCLSA-N 310.401 3.416 0 40 DGAB CC(C)c1nnc2n1C[C@H](CNc1cnc3ccccc3n1)CC2 69779210 LNJCMAGQLNDABN-ZDUSSCGKSA-N 322.416 3.019 0 40 DGAB CN1C(=O)CCc2cc(NC(=O)[C@@H]3C[C@@H]3c3ccccc3)ccc21 71847643 HCPZALIEDJOJLQ-IAGOWNOFSA-N 320.392 3.338 0 40 DGAB Cc1cnn(C[C@@H]2CCCCN2C(=O)c2cc3ccccc3[nH]2)c1 71865721 CKOVMLKANKDVDZ-INIZCTEOSA-N 322.412 3.368 0 40 DGAB CCn1nc(C)cc1C(=O)Nc1cc(-c2ccccc2F)no1 71900759 PHOLXJUGPUXCSL-UHFFFAOYSA-N 314.320 3.258 0 40 DGAB CC[C@@H](C)C(=O)Nc1cc(Br)ccc1NC(C)=O 72070501 LKQGXFVPXKOPPF-MRVPVSSYSA-N 313.195 3.392 0 40 DGAB Cc1cc(=O)[nH]cc1[C@@H]1CCCN1C(=O)OCc1ccccc1 72218135 CTZYFPVZLBRPDP-INIZCTEOSA-N 312.369 3.157 0 40 DGAB Cc1ccc(C(N)=O)c(O[C@H](C)c2nc(-c3ccccc3)no2)c1 72305676 LNZNFCUTVWZKBO-GFCCVEGCSA-N 323.352 3.284 0 40 DGAB Cc1cccnc1Nc1cncc([C@@H]2CCCN2CC2CC2)n1 72376295 SGAQDXHPPYBQQI-INIZCTEOSA-N 309.417 3.471 0 40 DGAB Cc1cccc(Nc2cc(C)nc([C@H]3CCN(C(C)C)C3)n2)n1 72382382 SFOQGSXWIXBJIT-HNNXBMFYSA-N 311.433 3.430 0 40 DGAB COc1cc(CCNC(=O)N2C[C@H](C)CCC[C@H]2C)ccc1O 74265037 NITZLUUZPRZWJV-ZIAGYGMSSA-N 320.433 3.163 0 40 DGAB CN(CCc1ccccn1)C[C@H]1CCN(Cc2ccccc2)C1 76110294 XSJJLPIDGMSCCV-LJQANCHMSA-N 309.457 3.078 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](CCNC(=O)C2CC=CC2)C1 77743112 INFIGICTLRBSPF-AWEZNQCLSA-N 322.449 3.106 0 40 DGAB Cc1csc(C2(NC(=O)c3ccncc3F)CCCC2)n1 78114092 XFTCRMTZQUMDNT-UHFFFAOYSA-N 305.378 3.185 0 40 DGAB Cc1ccncc1NC(=O)N[C@H](C)C[C@H](O)c1cccs1 89275359 JTXPZBKHEFQXJC-YPMHNXCESA-N 305.403 3.085 0 40 DGAB CCn1c([C@H](C)NCC(=O)Nc2ccccc2)nc2ccccc21 91309698 PXUINDJNNPNHGS-AWEZNQCLSA-N 322.412 3.346 0 40 DGAB Cc1nc(CN[C@@H](C)c2ccc(S(C)(=O)=O)cc2)sc1C 95423526 NSIJSWXIXWIDMY-NSHDSACASA-N 324.471 3.014 0 40 DGAB C[C@@H](NC(=O)c1ccccc1Cl)[C@H](O)Cc1ccccc1 95431409 WJLYGVSJSBVJQQ-MLGOLLRUSA-N 303.789 3.062 0 40 DGAB CCCCNC(=O)N1CCC(CCN(CC)CC2CC2)CC1 95457472 TWTDMNKVDAXYRX-UHFFFAOYSA-N 309.498 3.330 0 40 DGAB O=c1ccc(-c2ccc(F)cc2)nn1Cc1ccc(Cl)cn1 95944881 IVXYPZGJBGOHSA-UHFFFAOYSA-N 315.735 3.146 0 40 DGAB Cc1csc([C@H](C)CNC(=O)Nc2ccccc2N(C)C)n1 96014205 LVZHYNIMZBMUPO-LLVKDONJSA-N 318.446 3.443 0 40 DGAB Cn1ncc2c1CN(Cc1ccsc1)C[C@@H]2COCC1CC1 96044635 QMOKTHKVNRWQJZ-OAHLLOKOSA-N 317.458 3.008 0 40 DGAB COc1cc(C)c2c(n1)oc1c(=O)n(C3CCCCC3)cnc12 96190284 UCHDTMHBILCNCG-UHFFFAOYSA-N 313.357 3.360 0 40 DGAB COc1ccccc1C[C@@H](C)N(C)C(=O)c1cccc2cn[nH]c12 96431587 GLYBXDVXEBDFJF-CYBMUJFWSA-N 323.396 3.275 0 40 DGAB CSCC[C@H](C)NC(=O)c1ccc([S@](=O)C(C)C)cc1 96436844 NSFWUABZUHTTQA-YUNKPMOVSA-N 313.488 3.074 0 40 DGAB O=C(Nc1cccc(OCc2nccn2C(F)F)c1)C1CC1 96459047 UTCAGGQNJFLDLN-UHFFFAOYSA-N 307.300 3.206 0 40 DGAB CC[C@H](NC(=O)[C@H](C)OC)c1ccccc1Br 96475096 MNMLCQDVJDVDOX-CABZTGNLSA-N 300.196 3.051 0 40 DGAB Cc1ccc(OC2CCN(C(=O)CCC(F)(F)F)CC2)nc1 96501769 OUYGZZYZBNFHSI-UHFFFAOYSA-N 316.323 3.102 0 40 DGAB CC[C@@H](NC(=O)NC[C@H](C)c1nccs1)c1nc(C)cs1 97110509 AQMYJGRFVRJOAP-GXSJLCMTSA-N 324.475 3.462 0 40 DGAB CC(C)n1cc2cc(NC(=O)N3CCO[C@@H](C)[C@H]3C)ccc2n1 97233967 XSJVRNLGVBLGQC-OLZOCXBDSA-N 316.405 3.258 0 40 DGAB Cc1cc2ncc3c(n2n1)C[C@H]1CC[C@H]3N1Cc1ccc(C)o1 100140933 SYCJOCUBCPRUJS-CZUORRHYSA-N 308.385 3.201 0 40 DGAB COc1ccc(/C=C/C(=O)N[C@H](C)c2nc(C)cs2)cc1O 184997777 BLLQRSDMRYLCGJ-OKPNEXGHSA-N 318.398 3.056 0 40 DGAB COc1cccc(O[C@H](Cc2ccccc2Cl)C(=O)O)c1 225056700 QFHXRAJZQFDCCO-OAHLLOKOSA-N 306.745 3.423 0 40 DGAB Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CCc2[nH]c(C)nc2C1 225519164 BXWKLGALIFRHBC-OAHLLOKOSA-N 309.413 3.111 0 40 DGAB COc1ccc2c(c1)OCCC[C@H]2NCCc1cscn1 225581343 HUZBIMZWMWEDGK-OAHLLOKOSA-N 304.415 3.198 0 40 DGAB CCC[C@](C)(OC)C(=O)Nc1ccc(OCCOCC)cc1 225612461 MMGWJPDXNKBYPJ-KRWDZBQOSA-N 309.406 3.246 0 40 DGAB O=C(Nc1cccs1)N[C@H](c1cccnc1)C1CCOCC1 225623311 OXYZCBHOLXOZPX-HNNXBMFYSA-N 317.414 3.433 0 40 DGAB CCOC(=O)c1cc(NC(=O)C(C)(C)OC)ccc1OC(C)C 225789073 DZEAUABBYDOWFM-UHFFFAOYSA-N 323.389 3.014 0 40 DGAB Cc1ccc(Cl)cc1N1C(=O)[C@@H]2[C@@H]3C=C[C@H](CC3)[C@H]2C1=O 226691272 HFPGREXJLCMVAK-YIKOMLBNSA-N 301.773 3.350 0 40 DGAB c1cc(CO[C@@H]2CCOC3(C2)CN(CC2CCCC2)C3)ccn1 248341308 WFOKXBPAMRPGPC-GOSISDBHSA-N 316.445 3.022 0 40 DGAB COc1ccc([C@@H]2CN(Cc3ccccc3)[C@H]3CCCN[C@H]32)cc1 257225057 FEPRSOXUTWIYQW-ACRUOGEOSA-N 322.452 3.415 0 40 DGAB O=C(c1cnccn1)N1C[C@H]2CCC[C@H](Cc3ccccc3)[C@H]2C1 257289876 QANYPTXUHSVQGO-KZNAEPCWSA-N 321.424 3.208 0 40 DGAB CC(C)Cc1ncc(-c2cncc(C[C@H]3CCCNC3)n2)s1 257337320 YSIHSEARFHYSQU-CYBMUJFWSA-N 316.474 3.341 0 40 DGAB O=C1[C@H]2[C@H](C(=O)N1Cc1ccccc1Cl)[C@H]1C=C[C@H]2C12CC2 409382997 SMKLXELWMBVSOF-QHSBEEBCSA-N 313.784 3.037 0 40 DGAB Cc1cccnc1OCC1CCN(Cc2c(C)noc2C)CC1 585527112 PLAHLCFDLISEJC-UHFFFAOYSA-N 315.417 3.286 0 40 DGAB CCc1[nH]c2cccc(I)c2c(=O)c1C 685938068 BJWJHQKZGJZONT-UHFFFAOYSA-N 313.138 3.004 0 40 DGAB Fc1ccc(C[C@H]2CC3(CO2)CN(Cc2cccnc2)C3)cc1 1848355854 MCQLIUHCSAYBOM-SFHVURJKSA-N 312.388 3.054 0 40 DGAB O=Cc1nc(Br)c(-c2cccc3ncccc23)[nH]1 1857794701 HPOMRLANPIVBDV-UHFFFAOYSA-N 302.131 3.200 0 40 DGAB Cc1sc2ncnc(Oc3cccc(-n4cnnn4)c3)c2c1C 420330 OAYYWYUWHZJWSN-UHFFFAOYSA-N 324.369 3.076 0 40 DGAB O=C1S[C@H](Nc2cccc(F)c2)C(=O)N1c1ccccc1 2333666 WZSZWOWRZWSEMN-ZDUSSCGKSA-N 302.330 3.464 0 40 DGAB O=C(NCc1ccc2c(c1)OCO2)c1ccc(C(F)(F)F)cc1 2652537 BGLBSIJZXOVQSV-UHFFFAOYSA-N 323.270 3.364 0 40 DGAB CCCNC(=O)c1ccc(COCC(F)(F)C(F)F)cc1 2751535 CSJFGVFLBHXXFD-UHFFFAOYSA-N 307.287 3.243 0 40 DGAB Cc1cc(C)c2nc(NC(=O)CN3CCCCC3)sc2c1 3328614 DSHSSTSZPARBLX-UHFFFAOYSA-N 303.431 3.338 0 40 DGAB Cc1ccc(SCC(=O)NC(=O)NCCC(C)C)cc1C 3473221 NKJLOGRRMCZVCX-UHFFFAOYSA-N 308.447 3.267 0 40 DGAB C[C@H](NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1)c1ccccc1 3659883 YGYQSPQOJHLYRK-GOEBONIOSA-N 314.429 3.045 0 40 DGAB CC(=O)CSc1ncnc2c1cnn2-c1ccc(C)cc1C 4341777 OBYVAKOKJQOQEY-UHFFFAOYSA-N 312.398 3.113 0 40 DGAB Cc1cccc(C)c1NC(=O)CCCCC[C@@H]1NC(=O)N[C@@H]1C 4520555 NRYDTMPYVQXREL-CABCVRRESA-N 317.433 3.262 0 40 DGAB Nc1ccc2c(c1)Cc1cc(I)ccc1-2 4823758 GVLJBTZWZXVFDV-UHFFFAOYSA-N 307.134 3.445 0 40 DGAB CNC(=O)c1c(NC(=O)/C=C/c2ccccc2)sc(C)c1C 5144930 BRGCYXLBUKNREN-MDZDMXLPSA-N 314.410 3.376 0 40 DGAB O=C(COc1ccc(F)cc1)Nc1ccccc1OC(F)F 5512264 YGDYRMRYTNXHJX-UHFFFAOYSA-N 311.259 3.445 0 40 DGAB Cc1n[nH]c(S/C(=C\c2cccc3ccccc23)C(=O)O)n1 6129892 IXBUWKCTHLLDIG-ZROIWOOFSA-N 311.366 3.484 0 40 DGAB COc1cc2c(cc1OC)[C@H](C)N(C(=O)c1ccc(C)o1)CC2 6758072 HHMGQZVIKKLIKD-LBPRGKRZSA-N 315.369 3.365 0 40 DGAB biogenic Cc1noc(C(C)C)c1C(=O)N[C@@H]1CCOc2ccccc21 7280183 CQIBYOSFXGGSIW-CYBMUJFWSA-N 300.358 3.360 0 40 DGAB Cc1cc(Cl)ccc1O[C@H](C)C(=O)OCC(=O)c1ccc[nH]1 7782080 QPKWRPIWXKNDGA-LLVKDONJSA-N 321.760 3.170 0 40 DGAB Cc1c(Cl)cccc1NC(=O)C(=O)N[C@H]1CCCC[C@H]1C 8278304 DGKYJKZUFKLCMP-MFKMUULPSA-N 308.809 3.282 0 40 DGAB COc1cccc2cc(-c3nnc(NC(=O)C(C)(C)C)o3)oc12 9167185 FEVPBXQHQIIGOJ-UHFFFAOYSA-N 315.329 3.476 0 40 DGAB NC(=O)c1cccc(NC(=O)/C=C/c2c(F)cccc2Cl)c1 9908677 JQFGVMZBOTWVLP-BQYQJAHWSA-N 318.735 3.230 0 40 DGAB Cn1ccc([C@H]2CCCCCN2C(=O)c2cccc(F)c2)n1 12133695 WKNGJNROHKTYCC-MRXNPFEDSA-N 301.365 3.317 0 40 DGAB CCOCCCNc1ncc(-c2cc(C)no2)c(C(C)C)n1 12186873 YBQVNLKHEUNXDI-UHFFFAOYSA-N 304.394 3.402 0 40 DGAB O=C(O)c1cnn(-c2cccc(C(F)(F)F)c2)c1-n1cccc1 12732108 YURSYSHAUGRDQJ-UHFFFAOYSA-N 321.258 3.380 0 40 DGAB O=C1c2ccccc2N(Cc2ccccc2Cl)C2=NCCN12 13728428 NMKSHLPUZBIQIX-UHFFFAOYSA-N 311.772 3.172 0 40 DGAB COC[C@H](C)NC(=O)Cn1c(-c2ccccc2)cc2ccccc21 14063975 WGNUDPZTWRDZJP-HNNXBMFYSA-N 322.408 3.459 0 40 DGAB C[C@H](Oc1ccc(Cl)cc1)C(=O)NCCOc1ccccc1 16009577 NBIPAAFEDPJUPS-ZDUSSCGKSA-N 319.788 3.303 0 40 DGAB Cc1ccc(F)c(NS(=O)(=O)c2cc(F)cc(F)c2)c1 16148109 FMQHVSAAGCWGSB-UHFFFAOYSA-N 301.289 3.213 0 40 DGAB CCCOc1cccc(C(=O)Nc2ccc(CC(=O)O)cc2)c1 20141476 LJTLDNICYWNZMF-UHFFFAOYSA-N 313.353 3.355 0 40 DGAB C[C@@H](NC(=O)c1ccc(Br)cc1F)c1ccncc1 22622105 ABHRREKLSNLSMQ-SECBINFHSA-N 323.165 3.474 0 40 DGAB Cc1ccccc1[C@@H](CC(=O)N[C@@H](C)CCC(C)C)NC(N)=O 24463445 IZYCTHVDERCFIX-GOEBONIOSA-N 319.449 3.035 0 40 DGAB Cc1ccsc1CNC(=O)N[C@@H]1CCOc2ccccc21 26176068 WGCNXWWJVACJSA-CYBMUJFWSA-N 302.399 3.380 0 40 DGAB CCn1nc(C)cc1NC(=O)c1c(C)nn(-c2ccccc2)c1C 28246547 DFBOPESAQGXYBK-UHFFFAOYSA-N 323.400 3.266 0 40 DGAB CCc1nc(Cn2cnc3c(oc4ccccc43)c2=O)cs1 31744616 ZFQBQESAXPEIQT-UHFFFAOYSA-N 311.366 3.210 0 40 DGAB CC(=O)c1ccc(NC(=O)NC[C@H](C(C)C)N2CCCC2)cc1 32907378 PVHVHVQSXUICBJ-QGZVFWFLSA-N 317.433 3.131 0 40 DGAB O=C(CNCc1ccccc1)Nc1ccc(N2CCCCC2)cc1 35311473 HQNOQEYFTJZITD-UHFFFAOYSA-N 323.440 3.405 0 40 DGAB COc1ccc(-n2ccnc2SCc2cc(C)no2)cc1 36636749 VEDNUOHVCQUEEU-UHFFFAOYSA-N 301.371 3.470 0 40 DGAB C[C@@H]1CN([C@@H](CN)c2cc(Cl)cc(Cl)c2)C[C@@H](C)O1 37424741 XKHZFFVTORRINN-RULNRJAQSA-N 303.233 3.102 0 40 DGAB CCOC(=O)Cn1c(COc2ccccc2)nc2ccccc21 40232340 IBUDUQPMEZCPKJ-UHFFFAOYSA-N 310.353 3.178 0 40 DGAB CC(C)(C)OC(=O)N1CCC[C@@H](c2ccccc2C(=O)O)C1 40449462 PTSFFRFRABIDJJ-GFCCVEGCSA-N 305.374 3.499 0 40 DGAB CN(Cc1ccc(O)cc1)C(=O)c1cccc(OC(F)F)c1 41686602 DATXMJILAXSCOY-UHFFFAOYSA-N 307.296 3.266 0 40 DGAB Cc1cc(C)n(C[C@H](C)CNC(=O)Cc2ccc(Cl)cc2)n1 48331539 QMJBXDPUVOXVSN-GFCCVEGCSA-N 319.836 3.148 0 40 DGAB COc1ccnc(Nc2cc(F)c(N3CCCC3)c(F)c2)n1 52473756 DTLBLQBFUQWLRV-UHFFFAOYSA-N 306.316 3.107 0 40 DGAB COC1CCN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC1 53885766 GNWIFVYQDZIKLQ-UHFFFAOYSA-N 303.333 3.337 0 40 DGAB C=Cn1cc(CN(Cc2ccccc2)C[C@@H]2CCCO2)c(C)n1 57810979 WLFLFSITGIVRNO-IBGZPJMESA-N 311.429 3.473 0 40 DGAB C[C@H]1Cc2ccccc2N(S(=O)(=O)c2ccc(Cl)nc2)C1 62093306 WAPXRGNLVCWCKL-NSHDSACASA-N 322.817 3.123 0 40 DGAB Cc1ccc(-c2nnc(Cc3nc(C(C)(C)C)no3)o2)cc1F 65185433 PKXFFKVNNJSIPS-UHFFFAOYSA-N 316.336 3.455 0 40 DGAB Cc1cccc(-c2nc(C)nn2CC(=O)N[C@H](C)c2ccco2)c1 66082323 FCHFJMKBLIILMT-CYBMUJFWSA-N 324.384 3.032 0 40 DGAB Cc1ccc(F)cc1CC(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 67740857 KTOABMMJRIHWFJ-UHFFFAOYSA-N 317.408 3.356 0 40 DGAB CC(=O)c1cccc(O[C@H](C)C(=O)N[C@@H](C)c2ccc(C)o2)c1 68786602 OIMYMQJVXJSTKM-GXTWGEPZSA-N 315.369 3.435 0 40 DGAB Cc1sc2ncnc(N3CCC[C@H]3c3cnn(C)c3)c2c1C 69626892 OUPVSOOXBBUEKD-ZDUSSCGKSA-N 313.430 3.383 0 40 DGAB CCCCc1nc(CN2CCCC[C@H]2Cn2cncn2)cs1 71876413 JSKYOSOGZRCSEY-HNNXBMFYSA-N 319.478 3.132 0 40 DGAB CC(C)(C)OC(=O)Nc1ccc([C@@H]2CCCCN2C=O)cn1 72214350 CQVKMJZDBDHWSM-ZDUSSCGKSA-N 305.378 3.112 0 40 DGAB Cc1ccccc1C(=O)Nc1cccc(C[S@](C)=O)c1C 72286771 ACAMQDMXUQARME-OAQYLSRUSA-N 301.411 3.434 0 40 DGAB CC(C)[C@H]1CN(Cc2ccco2)CCN1C(=O)N1CCCCC1 72324101 BFRBENGEQBPLKK-QGZVFWFLSA-N 319.449 3.028 0 40 DGAB O=C(Cc1ccc(-c2ccccc2)cc1)NC[C@@H](O)c1ccoc1 75171750 RKKLIJAINWLVHU-LJQANCHMSA-N 321.376 3.339 0 40 DGAB O=C(Nc1cccc(C2SCCS2)c1)N1CCC[C@@H](O)C1 76086306 BCXXEAUUOBHTJG-CYBMUJFWSA-N 324.471 3.154 0 40 DGAB CCN(CC)C[C@H]1CCN(C(=O)/C=C/c2cccc(F)c2)C1 78934590 BOEOJBMQOMBPBY-ROJDOSBLSA-N 304.409 3.029 0 40 DGAB CCN(CC)C(=O)CCCC(=O)Nc1cc(F)ccc1Cl 79000118 KPFIFCOKENNXFI-UHFFFAOYSA-N 314.788 3.456 0 40 DGAB Cc1cc([C@H](O)CCNC(=O)/C=C/c2ccsc2)c(C)o1 85561709 FQCWIYLOYMNNQA-NHZBNJEXSA-N 305.399 3.211 0 40 DGAB C[C@@H](NC(=O)N1CCSCC1)c1cccc(N2CCCC2)c1 87281548 FBJNCFTVUBZWOE-CQSZACIVSA-N 319.474 3.106 0 40 DGAB CS(=O)(=O)CCN[C@@H](c1ccc(Cl)c(Cl)c1)C1CC1 91312013 FNNNITDQFGJKTK-CYBMUJFWSA-N 322.257 3.079 0 40 DGAB Clc1cccc(CN2CCOC3(CCOCC3)C2)c1Cl 91896161 BBRXLQWKKYTFJH-UHFFFAOYSA-N 316.228 3.375 0 40 DGAB N[C@H](c1ccc(Cl)cc1)c1n[nH]c(COc2ccccc2)n1 95533932 WDCHSUPVSFRMSB-OAHLLOKOSA-N 314.776 3.085 0 40 DGAB CCS[C@@H]1CC[C@H](N(C)S(=O)(=O)c2ccc(C)s2)C1 95961900 XKMKDQCSNLPPDI-NWDGAFQWSA-N 319.517 3.351 0 40 DGAB C[C@@H]1c2ncc(COCC3CC3)n2CCN1Cc1cccs1 96109734 DNCACVBCPCFVGG-CYBMUJFWSA-N 317.458 3.448 0 40 DGAB CO[C@H](CNC(=O)c1ccc(F)c(F)c1)c1ccc(C)s1 96385515 LZPBKBVJKWTIAD-CYBMUJFWSA-N 311.353 3.452 0 40 DGAB CCn1nc(C)cc1C(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1 96425587 HKIVEKQIBAVUJE-WMLDXEAASA-N 311.429 3.477 0 40 DGAB FC(F)c1nnc2ccc(N3CCC4(CCCCC4)C3)nn12 96480987 ABJRPGSJRJOLST-UHFFFAOYSA-N 307.348 3.223 0 40 DGAB CC[C@@H](Nc1cncc(-c2nncn2C)c1)c1ccc(OC)cc1 97038761 NHYGLLIMWVBDPG-QGZVFWFLSA-N 323.400 3.449 0 40 DGAB CC(C)N(CCO)C(=O)Nc1cccc(CC(F)(F)F)c1 97113333 XWSXHRQRBBBLGS-UHFFFAOYSA-N 304.312 3.026 0 40 DGAB CC1CCN(CCCNC(=S)Nc2cccc(F)c2)CC1 225436045 LTQVJYDSFDYXKN-UHFFFAOYSA-N 309.454 3.234 0 40 DGAB COc1cccc(N(C)C(=O)c2ccc3c(c2)nc(C)n3C)c1 225893221 LSYCGAOSBGSKBX-UHFFFAOYSA-N 309.369 3.167 0 40 DGAB C[C@@]1(C(=O)N2CCCCCC2)CC(c2ccc(F)cc2)=NO1 226749350 GBGGKWSNDLNDKM-KRWDZBQOSA-N 304.365 3.111 0 40 DGAB CCOc1nn(C)c2ccc(NC(=O)c3cc(C)oc3C)cc12 227166636 XGMBDIJBKPKGEO-UHFFFAOYSA-N 313.357 3.434 0 40 DGAB Cc1cnc(CSCc2ccc(S(C)(=O)=O)cc2)s1 252485413 GUHVZOYRVDIZBO-UHFFFAOYSA-N 313.469 3.288 0 40 DGAB c1ccc(Nc2ccc([C@@H]3CN(CC4CC4)CCO3)nc2)nc1 257208917 BOBMJQRCMQZCOX-KRWDZBQOSA-N 310.401 3.004 0 40 DGAB CCCCn1cc(CN2CCC[C@@H](c3ccn[nH]3)C2)c(C)n1 257275560 NPWVPACLSRVNPD-OAHLLOKOSA-N 301.438 3.094 0 40 DGAB COc1cccc(CN2CCC[C@H](c3ccnc(C)n3)C2)c1F 257295876 RAFXUOBLBSBZHR-AWEZNQCLSA-N 315.392 3.312 0 40 DGAB COc1ccc2c(c1)OC(C)(C)[C@@H]1C[C@H](C(=O)O)[C@@H](C)O[C@@H]21 257342842 ZQISSHQDLNXJDW-BWUZBNCSSA-N 306.358 3.033 0 40 DGAB O=C(CCCC(=O)N1CC[C@H](OCC2CC2)C1)c1ccccc1 390831630 SZKGCIUOLVXSFH-KRWDZBQOSA-N 315.413 3.067 0 40 DGAB CC(C)N(Cc1ccccn1)C(=O)[C@@H]1CCc2ccccc2O1 519587483 LLEDTTQJVRQWQI-SFHVURJKSA-N 310.397 3.212 0 40 DGAB Clc1ccc2ncc(-c3ccc(C[C@@H]4CCNC4)cn3)n2c1 585262983 GJNMHGRSBRDHQU-ZDUSSCGKSA-N 312.804 3.202 0 40 DGAB CC[C@H]1C[C@H](NC(=O)NCc2ccc3occc3c2)CCO1 661332633 MXENINIBSSHPBW-CABCVRRESA-N 302.374 3.190 0 40 DGAB O=C(O)c1cc(C(F)(F)F)n(Cc2ccc(Cl)cc2)n1 675031393 IWKGFZSJOIBXIN-UHFFFAOYSA-N 304.655 3.302 0 40 DGAB CC(C)c1nccn1CC1CN(c2ncnc3sccc23)C1 2087139736 NPCALCJHBDYPGU-UHFFFAOYSA-N 313.430 3.148 0 40 DGAB c1csc(OC[C@H]2CCCN(c3nc(C4CC4)ns3)C2)n1 2298183968 HVPWUCJHYDPKSE-JTQLQIEISA-N 322.459 3.167 0 40 DGAB COc1c2occc2c(OC)c2c(=O)cc(CSC)oc12 2174 SWKFRGASPZPNBV-UHFFFAOYSA-N 306.339 3.419 0 40 DGAB in-man CC(=O)N1c2ccccc2N(Cc2ccccc2)C(=O)C[C@H]1C 84326 KGQYMZVRKCXZFR-CQSZACIVSA-N 308.381 3.365 0 40 DGAB CCc1c(C)sc2nc(-c3ccc(C(=O)O)cc3)[nH]c(=O)c12 2637190 LHLBGCWMZBFFPO-UHFFFAOYSA-N 314.366 3.221 0 40 DGAB COc1ccccc1N[C@@H](C)C(=O)Nc1ccc(C(C)=O)cc1 3298640 VKZGOAJFKGUUAQ-LBPRGKRZSA-N 312.369 3.337 0 40 DGAB CCOc1ccccc1NC(=O)COC(=O)c1sccc1C 3384266 LXYGSBINNBRKOI-UHFFFAOYSA-N 319.382 3.251 0 40 DGAB NC(=O)c1oc2ccccc2c1NC(=O)c1cccc(Cl)c1 4135024 KADBWVPXIMBKST-UHFFFAOYSA-N 314.728 3.437 0 40 DGAB CCOc1ccccc1NC(=O)COc1ccccc1OC 4699945 XESWUHACAFVHHM-UHFFFAOYSA-N 301.342 3.111 0 40 DGAB Cc1cc(C)cc(C(=O)N[C@H](C)c2ccc(-n3cncn3)cc2)c1 5245913 VFVSIHZKMBCSDS-OAHLLOKOSA-N 320.396 3.375 0 40 DGAB O=C(O)C1CCN(C(=O)Nc2cccc(C(F)(F)F)c2)CC1 5892650 WZIXMKHRLCECIQ-UHFFFAOYSA-N 316.279 3.034 0 40 DGAB COC(=O)c1c(NC(=S)NC2CC2)sc2c1CC[C@@H](C)C2 6201424 QMNZSZWMPVKVMT-MRVPVSSYSA-N 324.471 3.108 0 40 DGAB COc1ccc(-c2nnc(SC[C@@H]3CCCO3)o2)c(OC)c1 7221121 WBXFLSXCGBJXNG-NSHDSACASA-N 322.386 3.025 0 40 DGAB COc1ccc(OCCCC(=O)NCc2ccccc2C)cc1 7976946 DCQWNJIIWKKLEF-UHFFFAOYSA-N 313.397 3.479 0 40 DGAB C[C@@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cccc(C(N)=O)c2)o1 8328386 DPQVVYJRAZCLNS-VWEULIBQSA-N 310.353 3.154 0 40 DGAB Cc1ccc(C(=O)NC(=S)NCc2ccco2)cc1Cl 9140872 JIIWMPMEMPZCKQ-UHFFFAOYSA-N 308.790 3.046 0 40 DGAB CC(=O)Nc1cccc(C(=O)N2CCC[C@@H](C(F)(F)F)C2)c1 10287352 OKLBKFJMIWLRLG-GFCCVEGCSA-N 314.307 3.060 0 40 DGAB O=C1C[C@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2N1 10923218 IOJRHACZNINAOJ-ZDUSSCGKSA-N 302.280 3.029 0 40 DGAB CCOc1ncccc1-c1noc(CN2C[C@H](C)C[C@@H](C)C2)n1 12234044 OPQUXTUODYMZFD-CHWSQXEVSA-N 316.405 3.008 0 40 DGAB C[C@@H]1CCCN(C(=O)c2c[nH]c(=S)n2-c2ccccc2)C1 12534390 XPYHWIJAVLBJPI-GFCCVEGCSA-N 301.415 3.407 0 40 DGAB CC(=O)c1ccccc1C(=O)NCCc1c[nH]c2ccc(F)cc12 13624266 WSKNOQNHCQNQMG-UHFFFAOYSA-N 324.355 3.482 0 40 DGAB biogenic CN(Cc1ccc2c(c1)OCCO2)C(=O)c1c[nH]c2ccccc12 14111671 IOSYHMQNHPPZGS-UHFFFAOYSA-N 322.364 3.211 0 40 DGAB CC(=O)N1C[C@@H](C(=O)Nc2cc(C)cc(C)c2)Oc2ccccc21 15518776 DJFSWAYFMIBZTJ-SFHVURJKSA-N 324.380 3.056 0 40 DGAB COCCOc1ccc(CN2[C@H]3CC[C@@H]2c2cccnc2C3)cc1 19593672 WNDZPERPKXUNAX-OXJNMPFZSA-N 324.424 3.369 0 40 DGAB Cc1nc2ccccc2n(CC(=O)c2ccc(Cl)cc2)c1=O 20031642 OWNFPKTZMKAZMF-UHFFFAOYSA-N 312.756 3.241 0 40 DGAB Cc1cc2oc(=O)cc(CN3C[C@@H](C)O[C@H](C)C3)c2cc1Cl 21821972 CTHBTGDHGXVMDT-VXGBXAGGSA-N 321.804 3.364 0 40 DGAB biogenic Cc1nc(N(C)c2ccccc2)sc1C(=O)N1CCCC1 22245386 GZOXEBWZUZAKFA-UHFFFAOYSA-N 301.415 3.455 0 40 DGAB CNC(=O)c1ccc(C)c(NC(=O)Cc2ccc3c(c2)CCC3)c1 24921803 YAUAXWUVCREGEU-UHFFFAOYSA-N 322.408 3.025 0 40 DGAB Cc1cc(S(=O)(=O)N[C@H]2CCOc3ccccc32)c(C)s1 24977484 YMHWLKRZHIMIKM-ZDUSSCGKSA-N 323.439 3.167 0 40 DGAB CN(Cc1ccnn1C)C(=O)Nc1cccc(C(F)(F)F)c1 28235343 NQFWZRMYYSXJOL-UHFFFAOYSA-N 312.295 3.103 0 40 DGAB CN(CC(=O)N1CCc2ccccc2C1)[C@@H]1CCc2ccccc21 29482851 NLSWYFSKIXTELU-HXUWFJFHSA-N 320.436 3.191 0 40 DGAB CC(C)(C)c1noc(CN2CCO[C@@H](c3ccc(F)cc3)C2)n1 29659279 WGVBXLNUQBDWNL-CQSZACIVSA-N 319.380 3.080 0 40 DGAB Cc1ccccc1CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 31177023 VCSNSMPBPPHPGC-GOSISDBHSA-N 313.372 3.277 0 40 DGAB O=C(NCc1ccccc1)N1CC=C(c2ccc(O)cc2)CC1 31660497 YOEBCDRASGBUCS-UHFFFAOYSA-N 308.381 3.391 0 40 DGAB COc1cccc(CO[C@H](C)C(=O)NCc2ccccc2F)c1 32487831 XSBVRNGDPLUAJP-CYBMUJFWSA-N 317.360 3.056 0 40 DGAB O=C(NC[C@@H]1CCCO1)c1cccc2c3c([nH]c12)CCCCC3 32779812 VUFHZKOSJVKGGE-ZDUSSCGKSA-N 312.413 3.346 0 40 DGAB CCc1cccc(NC(=O)CSc2nnc(C(C)C)o2)c1 32883622 QEKSLRAOUWSRFD-UHFFFAOYSA-N 305.403 3.486 0 40 DGAB Cc1cc(C)nc(SCCCCCCN2CCOCC2)n1 33610223 BCWRLCACOVFLOC-UHFFFAOYSA-N 309.479 3.078 0 40 DGAB CCOCCO[C@@H](C)C(=O)Nc1ccc(OC2CCCC2)cc1 40157274 ZQUKEDUNQLBSRI-AWEZNQCLSA-N 321.417 3.388 0 40 DGAB CCOC(=O)c1csc2nc(-c3cccc(OC)c3)cn12 40440700 SFIQFDOMWKOJOV-UHFFFAOYSA-N 302.355 3.248 0 40 DGAB Cc1cnc(C(=O)N(C2CC2)[C@@H]2CCCc3ccccc32)cn1 45509481 SUIZAMXILSNAMJ-GOSISDBHSA-N 307.397 3.467 0 40 DGAB CC1(C)Oc2cc(NC(=O)C3CCCCC3)ccc2NC1=O 46088434 PXWNTUDNXAHRKE-UHFFFAOYSA-N 302.374 3.315 0 40 DGAB O=C(NCc1ccncc1)c1cc(-c2cccc(Cl)c2)[nH]n1 46455027 QBFQISCUBGIMOK-UHFFFAOYSA-N 312.760 3.055 0 40 DGAB C[C@@H](NC(=O)C[C@@H]1CCCO1)c1ccc(C(F)(F)F)cc1 46787057 LSJJBGKRQDYFMP-MFKMUULPSA-N 301.308 3.452 0 40 DGAB CC(=O)Nc1cccc([C@@H](C)NC(=O)NC2CCCCC2)c1 47579416 TVEOYPXWAIAPTI-GFCCVEGCSA-N 303.406 3.338 0 40 DGAB COc1cccc2cc(C(=O)NCCc3ccsc3)oc12 49343513 MZRXIVOZWNFBCZ-UHFFFAOYSA-N 301.367 3.475 0 40 DGAB O=Cc1cn(CC(=O)Nc2cc(F)ccc2F)c2ccccc12 51318962 PZKVAMDCJDFDGA-UHFFFAOYSA-N 314.291 3.371 0 40 DGAB Cn1cc(-c2nc(C(=O)N3CC[C@@H]3c3ccccc3)cs2)cn1 53085783 JKCMCJYJOZQCOR-OAHLLOKOSA-N 324.409 3.131 0 40 DGAB Nc1cccc(C(=O)OCC(=O)c2ccc3ccccc3c2)c1 54362789 OCINOLORFRZLCZ-UHFFFAOYSA-N 305.333 3.462 0 40 DGAB C[C@@H](COc1ccc(F)cc1F)NC(=O)NC1CCCCC1 55088123 UVVRCWOVEUWWPM-NSHDSACASA-N 312.360 3.364 0 40 DGAB Cc1cccc(S(=O)(=O)N[C@H]2CCc3cc(C)ccc32)c1 57019672 UOFBKYFFUJQYEE-KRWDZBQOSA-N 301.411 3.269 0 40 DGAB O=C(NC[C@@H]1CCN(C2CC2)C1)c1occc1-c1ccccc1 58106521 HLRFBKMSNAJGRD-AWEZNQCLSA-N 310.397 3.161 0 40 DGAB Cc1ccc([C@H](NC(=O)CCN2CCSC2=O)C2CC2)cc1 58196222 JWYOFIJYOLXHIN-INIZCTEOSA-N 318.442 3.121 0 40 DGAB COc1ccccc1C(=O)NC(C)(C)c1noc(C(C)(C)C)n1 58343564 GFHKSNHORPESNU-UHFFFAOYSA-N 317.389 3.041 0 40 DGAB C[C@@H]1c2[nH]c3ccccc3c2CCN1C(=O)CCCn1cccn1 58407734 YLYANHOGJUKYHN-CQSZACIVSA-N 322.412 3.291 0 40 DGAB COc1cccc(-c2n[nH]c(-c3ccc(OC)c(OC)c3)n2)c1 62718896 CCGDTYTUERYXIQ-UHFFFAOYSA-N 311.341 3.165 0 40 DGAB CN(C)C(=O)Cc1nc(-c2ccccc2OC(F)F)cs1 69162346 QHEUNCVJOFZSFM-UHFFFAOYSA-N 312.341 3.042 0 40 DGAB Cc1cnn([C@H]2CCCN(C(=O)Cn3ccc4ccccc43)C2)c1 69415726 KPQDAIQOSIEWBW-KRWDZBQOSA-N 322.412 3.010 0 40 DGAB COc1cc(OC)cc(-c2nnc(SCc3ccno3)o2)c1 69660906 LPGRQTOUFJAEFP-UHFFFAOYSA-N 319.342 3.034 0 40 DGAB Cc1ccccc1CCC(=O)N1CCC[C@H]1[C@H]1CCCN1C 69661399 VZKSPXSARLYPDK-MSOLQXFVSA-N 300.446 3.013 0 40 DGAB Cc1cc(C)n(C[C@@H]2CCCN2C(=O)c2cc3ccccc3[nH]2)n1 70006601 PNFOODOONFJJHM-INIZCTEOSA-N 322.412 3.286 0 40 DGAB CCO[C@@H]1CCCN(C(=O)c2cc3ccc(F)cc3nc2C)C1 71825583 RPEVOUQNLZYPHT-OAHLLOKOSA-N 316.376 3.323 0 40 DGAB O=C(Cn1ccc(=O)c2ccccc21)N1CCC[C@H]1C1CCCC1 71836480 RGDQRFKRJXXADN-KRWDZBQOSA-N 324.424 3.183 0 40 DGAB COCCCCC(=O)N1CCc2ccc(Br)cc21 71900093 ANBKFUHDYKMAMP-UHFFFAOYSA-N 312.207 3.155 0 40 DGAB Cc1csc(-c2ccc(NC(=O)NC[C@H]3CCOC3)cc2)n1 72230608 NZQVWXQEZQNNQV-GFCCVEGCSA-N 317.414 3.277 0 40 DGAB COc1cccc([C@H](O)CN2CCC(OC3CCCC3)CC2)c1 72286216 UYADEKAIWXWVCW-LJQANCHMSA-N 319.445 3.152 0 40 DGAB Cc1ccc([C@H]2CCCCCN2C(=O)[C@@H](C)n2cccn2)o1 72291599 OOWXPZXDGZPODL-HUUCEWRRSA-N 301.390 3.489 0 40 DGAB Cc1ccc(CNS(=O)(=O)c2cc(C)c(C)cc2C)cc1 72414400 BEMKXJDDXMYCRE-UHFFFAOYSA-N 303.427 3.399 0 40 DGAB C[C@H](CNC(=O)N(C)Cc1ccncc1)Sc1ccccc1 74822851 ZNMWYZPWSSWOAA-CQSZACIVSA-N 315.442 3.404 0 40 DGAB COCc1ccccc1NC(=O)N[C@H]1C[C@](C)(OC)C1(C)C 74941791 OWCOBCLONULGJP-YOEHRIQHSA-N 306.406 3.158 0 40 DGAB Cc1ccccc1[C@@H](NC(=O)CCN1CCCC1=O)C(C)(C)C 75106132 DJJCCDZHFRJTAM-GOSISDBHSA-N 316.445 3.211 0 40 DGAB CC(=O)c1cnc(NC(=O)[C@H](C)Oc2ccc(C)cc2)s1 75141205 GIYPIZPRRRJKOK-NSHDSACASA-N 304.371 3.060 0 40 DGAB C[C@@H](CNC(=O)Nc1ccccc1)CN(C)C(=O)OC(C)(C)C 78644762 FAOIYSGTETVAJG-ZDUSSCGKSA-N 321.421 3.311 0 40 DGAB COCCNC(=O)N(Cc1cccs1)Cc1cccs1 79101799 RBBQHUXBKPLASC-UHFFFAOYSA-N 310.444 3.168 0 40 DGAB C[C@@H](c1cccs1)S(=O)(=O)Cc1cn2ccccc2n1 83992843 DCYHOJIQHHSZRN-NSHDSACASA-N 306.412 3.072 0 40 DGAB CC(C)c1nc(CN[C@@H](C)c2nnc3n2CCCC3)cs1 84631008 KFRWQFPLXZDGAX-NSHDSACASA-N 305.451 3.045 0 40 DGAB O=C1CCc2ccc(NC(=O)N3CCC[C@H]4CCC[C@H]43)cc2N1 86299669 IWYLIPYHHBAVCK-CZUORRHYSA-N 313.401 3.368 0 40 DGAB Cn1nccc1COC(=O)c1ccc(COc2ccccc2)cc1 89741136 QLONRXPWTLGMFO-UHFFFAOYSA-N 322.364 3.356 0 40 DGAB Fc1ccc2oc(CN3CCC(Cn4ccnn4)CC3)cc2c1 92097973 OVNVXZBNDIKLKU-UHFFFAOYSA-N 314.364 3.076 0 40 DGAB CC(C)(CCO)NCc1cnc(-c2ccc(Cl)cc2)nc1 95415523 ADIHSMZJXOFEDC-UHFFFAOYSA-N 305.809 3.048 0 40 DGAB C[C@H](O)C[C@@H]1CCCN1C(=O)[C@@H](C)SCc1ccccc1 95434740 AXYMEODOKYMEMP-LZWOXQAQSA-N 307.459 3.070 0 40 DGAB CCCN(CCO)C(=O)Nc1scnc1-c1ccccc1 95460740 SPPQMTVUNMSPDG-UHFFFAOYSA-N 305.403 3.046 0 40 DGAB Cn1nccc1CNC(=O)[C@H]1C[C@H]1c1ccc(Cl)cc1Cl 96404720 ILAVZCXMBOUKGY-STQMWFEESA-N 324.211 3.147 0 40 DGAB CO[C@@H](C)c1cccc(NC(=O)NCCc2cccc(O)c2)c1 96411502 BBDGMNSVCYEPDW-ZDUSSCGKSA-N 314.385 3.464 0 40 DGAB C[C@H](CC(=O)NC[C@H]1CCOC1)c1ccccc1C(F)(F)F 96422307 POFXMOAYNYAXFB-VXGBXAGGSA-N 315.335 3.352 0 40 DGAB CS[C@H](C)c1cccc(NC(=O)N2CCN(C3CC3)CC2)c1 96434808 GRPUHOMYYOZIFD-CYBMUJFWSA-N 319.474 3.423 0 40 DGAB CC(C)(C)[C@@H](NC(=O)N1CCC[C@@H](CO)C1)c1cccc(F)c1 96455241 VJEYNMGIWHXMTE-CJNGLKHVSA-N 322.424 3.327 0 40 DGAB C[C@H](CN[C@H](C)c1ccc(-n2cnnn2)cc1)c1ccsc1 96478880 KJYLUNXVMURLIJ-CHWSQXEVSA-N 313.430 3.178 0 40 DGAB C[C@@H](O)C(=O)Nc1ccccc1NCc1ccc(Cl)cc1 97143478 HIPKTNHIZPUHIH-LLVKDONJSA-N 304.777 3.271 0 40 DGAB COc1ccccc1NC(=O)[C@@H](C)Nc1cnn(C(C)(C)C)c1 97377301 KRUSORGIUKWOLE-GFCCVEGCSA-N 316.405 3.086 0 40 DGAB CC1(C)Cc2c(sc3nc4n(c(=N)c23)CCCCC4)CO1 100452697 FMPUHOACZNJKHF-UHFFFAOYSA-N 303.431 3.155 0 40 DGAB Clc1ccc([C@H]2C=C(c3ccccc3)Nc3nnnn32)cc1 100622317 NERZDJSPDHYRQR-OAHLLOKOSA-N 309.760 3.383 0 40 DGAB CN(C(=O)c1cc(Cl)cc(C(F)(F)F)c1)c1cnn(C)c1 157537295 AMHFPAUIKDCKKY-UHFFFAOYSA-N 317.698 3.369 0 40 DGAB CSc1ccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)N3C)cc1F 195532196 UVDFUFITNHTWAM-OLZOCXBDSA-N 323.437 3.248 0 40 DGAB CCC(=O)N(Cc1cccc(Cl)c1)[C@H](C)C(=O)N[C@H](C)CC 223081392 CINNGCPKEZWWNM-CHWSQXEVSA-N 324.852 3.382 0 40 DGAB Cc1cc(N)cc(Cl)c1NS(=O)(=O)c1ccc(F)cc1 227144592 MUJWOXLYIVBJIY-UHFFFAOYSA-N 314.769 3.171 0 40 DGAB CCN(C)c1ccccc1NC(=O)N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C 252477784 VNTLMBXJRRJLCH-WQVCFCJDSA-N 317.433 3.078 0 40 DGAB CC(C)[C@@H]1OCC[C@@H]1c1nc(COc2ccccc2F)no1 252487730 IAUGYMBPVNNJRI-NHYWBVRUSA-N 306.337 3.316 0 40 DGAB COC(=O)[C@@H](Sc1nnc(CSC)o1)c1ccsc1 252497346 QEIQWGWOLFGRBO-VIFPVBQESA-N 316.429 3.001 0 40 DGAB C[C@@H](NC(=O)CCCSc1cnn(C)c1)c1ccccc1 257173218 GZRTYRWNPVLQPT-CYBMUJFWSA-N 303.431 3.170 0 40 DGAB c1ccc(N2CCCC2)c(CN2CCC[C@@H](c3ccn[nH]3)C2)c1 257244096 IJVDBKVBCNSQBX-MRXNPFEDSA-N 310.445 3.390 0 40 DGAB Cc1cn(C)c([C@@H]2CCCN2C(=O)c2c(C(C)C)noc2C)n1 257256489 KLRSYXBBCKEPKN-ZDUSSCGKSA-N 316.405 3.126 0 40 DGAB CC(C)Cc1ncc(-c2cncc([C@H]3CCCNC3)n2)s1 257322563 WGMNSCQWKFEBHO-LBPRGKRZSA-N 302.447 3.266 0 40 DGAB CC(=O)N1CCC(Cc2cccc(-c3ncc(C)s3)n2)CC1 257334026 YEFDHVHSMVWSJE-UHFFFAOYSA-N 315.442 3.315 0 40 DGAB O=C(CCCC(=O)N1CC[C@@H](OCC2CC2)C1)c1ccccc1 390831631 SZKGCIUOLVXSFH-QGZVFWFLSA-N 315.413 3.067 0 40 DGAB CCCN1C(=O)N/C(=C/c2cc(C(C)C)c(OC)cc2C)C1=O 409221288 OAIFZUFYEALVML-XNTDXEJSSA-N 316.401 3.430 0 40 DGAB CCCN1C(=O)N/C(=C/c2cccn2-c2cccc(C)c2)C1=O 409234091 YXBGLNYYIFBUMU-FOWTUZBSSA-N 309.369 3.088 0 40 DGAB COc1cccnc1NC(=O)N1CC[C@@H](c2ccc(F)cc2)C1 574892158 VFWYAZIGSNBPCF-CYBMUJFWSA-N 315.348 3.251 0 40 DGAB O=C(/C=C/c1ccco1)N1CC[C@@H](n2cnc3ccccc32)C1 575618977 YKMHSARVUXTXMA-HSBSLETESA-N 307.353 3.116 0 40 DGAB Cc1cscc1CNC(=O)N1CC(C)(C)[C@H]1c1nccn1C 584762660 DRMDSOJJDJFMOJ-CYBMUJFWSA-N 318.446 3.083 0 40 DGAB Cc1nccc([C@@H]2CCCN(c3nc(C)nc4c3CCCC4)C2)n1 584908519 XXYAJZKMTNPIOP-OAHLLOKOSA-N 323.444 3.146 0 40 DGAB O=C1CCCC[C@H]1N1CCN(c2ccc(Cl)cc2F)CC1 1772715119 DALHKQMYLDEIJR-OAHLLOKOSA-N 310.800 3.113 0 40 DGAB Clc1ccc2oc(N3CC(Cn4cc(Cl)cn4)C3)nc2c1 1889151974 LEFBBORARQUQCD-UHFFFAOYSA-N 323.183 3.468 0 40 DGAB Cc1ccc(C)[n+](CNC(=O)c2ccc(Cl)cc2Cl)c1 35221 OIMHFJFGRIWQMN-UHFFFAOYSA-O 310.204 3.285 0 40 DGAB COc1ccc([C@@H]2C[C@H](c3ccccc3)n3nc(N)nc3N2)cc1 531665 AZOSMKBVNQSFIF-JKSUJKDBSA-N 321.384 3.015 0 40 DGAB Cn1nc(OC(=O)Nc2ccc(F)cc2)cc1C(F)(F)F 1393837 WBSYKFLPHFKFQT-UHFFFAOYSA-N 303.215 3.189 0 40 DGAB COc1cc(C(C)=O)ccc1OCC(=O)c1cc(C)n(C)c1C 2627982 MQQIZIKQHDJKNC-UHFFFAOYSA-N 315.369 3.115 0 40 DGAB Cc1cc(C)cc(NC(=O)COc2ncnc3ccccc23)c1 3245994 HYOQFPVFKWANPK-UHFFFAOYSA-N 307.353 3.264 0 40 DGAB CCCSc1nsc(NC(=O)c2cccnc2OCC)n1 3422444 KLTKQNOKIUKXIB-UHFFFAOYSA-N 324.431 3.086 0 40 DGAB O=C(CCC(=O)c1cccs1)NCCc1ccc(F)cc1 3613473 MNLRNTGGKYWOFG-UHFFFAOYSA-N 305.374 3.209 0 40 DGAB O=C(CSc1ccc(-c2cccnc2)nn1)Nc1ccccc1 4391879 TXRGSFVPUJSNMF-UHFFFAOYSA-N 322.393 3.269 0 40 DGAB CSc1nc2sc3c(c2c2nnc(S)n12)CC[C@H](C)C3 4438718 PILFJRHVYPRMPZ-LURJTMIESA-N 322.484 3.474 0 40 DGAB Cc1cc(C)cc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c1 4722457 OLRBAUZSJDFTTN-UHFFFAOYSA-N 318.461 3.108 0 40 DGAB Cc1ccc(S(=O)(=O)CC(=O)Nc2cccc(Cl)c2)cc1 5188747 ACGXMTLNRQYVAE-UHFFFAOYSA-N 323.801 3.061 0 40 DGAB Cc1ccc(O)c(C(=O)c2cnc3cc4c(cc3c2)OCO4)c1 6590002 UYKCYOSOPIZAPD-UHFFFAOYSA-N 307.305 3.209 0 40 DGAB CCc1ccccc1NC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1 7724241 VBLMZAUVXZQGLU-QGZVFWFLSA-N 322.408 3.236 0 40 DGAB Cc1cc(C)c(O)c(NC(=S)NC(=O)c2cccc(F)c2)c1 9064030 JYVFJTHOFPWHNH-UHFFFAOYSA-N 318.373 3.275 0 40 DGAB Cc1ccc(CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1 9256442 MHXZQJNVACIHGJ-IBGZPJMESA-N 308.381 3.271 0 40 DGAB CC(C)n1ncc2c(C(=O)N[C@@H](C)C3CC3)cc(C3CC3)nc21 9576993 HJVXGWYPMQFAKJ-NSHDSACASA-N 312.417 3.418 0 40 DGAB COc1ccc(-c2nc(NC(=O)c3ccno3)sc2C)cc1 10254009 VHXSFIMVLFMJLN-UHFFFAOYSA-N 315.354 3.367 0 40 DGAB COc1ccc2[nH]cc([C@@H](C(=O)O)N3C[C@@H](C)C[C@@H](C)C3)c2c1 12389405 BFSFLCZSBPOZMV-JKDFXYPNSA-N 316.401 3.280 0 40 DGAB Cc1cccc(C(=O)N[C@@H](c2ccccc2)c2nccn2C)c1 12549877 SEWZGOFVKRXIID-KRWDZBQOSA-N 305.381 3.248 0 40 DGAB CCOC(=O)c1cnc(S[C@H](C)c2ccc(F)cc2)nc1N 12640997 PIHVTDCRBSYDEG-SECBINFHSA-N 321.377 3.228 0 40 DGAB Fc1ccc(-c2nnn(Cc3coc(-c4ccccc4)n3)n2)cc1 12759302 KYSUZXBSVCIOMC-UHFFFAOYSA-N 321.315 3.183 0 40 DGAB Cc1ccc(CN(C)[C@H](C)C(=O)N[C@@H](C)c2ccc(F)cc2)o1 12798821 JVHCEKNOOQTXEF-UONOGXRCSA-N 318.392 3.425 0 40 DGAB O=C(CCCNC(=O)c1cccs1)Nc1ccc(F)c(F)c1 12911719 DOZHGTCHFYBNES-UHFFFAOYSA-N 324.352 3.175 0 40 DGAB CNc1nnc(SCc2nc(-c3ccc(C)cc3)no2)s1 14123179 FRBJBUQXWWPWHE-UHFFFAOYSA-N 319.415 3.231 0 40 DGAB CCc1noc(C)c1C(=O)Nc1nnc(-c2ccccc2)s1 14201897 JEAZODDFMYNWMU-UHFFFAOYSA-N 314.370 3.316 0 40 DGAB Cc1cnc2cc(C3CCN(Cc4ccncc4)CC3)[nH]c2n1 19239398 OZNBIBMKHDOIOI-UHFFFAOYSA-N 307.401 3.041 0 40 DGAB Cc1cccc(C)c1NC(=O)c1cnc(-c2ccccc2)[nH]c1=O 19937209 YIUMRSRBVPOEMC-UHFFFAOYSA-N 319.364 3.306 0 40 DGAB Cc1occc1C(=O)N1CCC[C@@H]1c1ccc2c(c1)OCCO2 21706227 MNBLWUWCRLDGIG-OAHLLOKOSA-N 313.353 3.337 0 40 DGAB Cc1ccccc1CN(C)C(=O)NCCc1cn2ccccc2n1 26288229 RNZVPRXNMJPHEB-UHFFFAOYSA-N 322.412 3.027 0 40 DGAB CCOc1cc([C@H]2NC(=O)c3cccc(C)c3N2)ccc1OC 27577742 SKMCEFFHGPLYEX-QGZVFWFLSA-N 312.369 3.256 0 40 DGAB CCn1ccc(C(=O)N[C@H](C)c2ccc(-n3cccc3)cc2)n1 28238022 VMTNAUPYIVLJHS-CQSZACIVSA-N 308.385 3.185 0 40 DGAB COc1ccccc1[C@H](C)N(C)S(=O)(=O)c1cccc(F)c1 30524489 HLYSSIKCALDFTE-LBPRGKRZSA-N 323.389 3.216 0 40 DGAB CCc1ccc(OS(=O)(=O)c2ccc(OC)c(OC)c2)cc1 32602205 RFBARBFMWLLQRC-UHFFFAOYSA-N 322.382 3.034 0 40 DGAB Cc1cccc(C(=O)N[C@H]2CCCN(Cc3ccccc3)C2)c1 32912074 PVRAORIMQXTGRF-IBGZPJMESA-N 308.425 3.389 0 40 DGAB CC(C)(C)OC(=O)N1CC[C@@H](Cc2cccc(C(=O)O)c2)C1 35571892 LGSBBCGSNLYKOI-ZDUSSCGKSA-N 305.374 3.184 0 40 DGAB COc1ccc(Cl)cc1-c1nnc2sc(C3CC3)nn12 36357404 MUQGOKAJONENSP-UHFFFAOYSA-N 306.778 3.392 0 40 DGAB O=C(COc1ccccc1F)Nc1ccc(-c2cc[nH]n2)cc1 38490068 APKLAOHJRFNRSN-UHFFFAOYSA-N 311.316 3.233 0 40 DGAB OC1(c2ccc(Cl)cc2)CCN(Cc2ccccn2)CC1 39199266 LYHOXILLNXJMMU-UHFFFAOYSA-N 302.805 3.219 0 40 DGAB COC(=O)CCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1 43092326 WYNRYMQUUFLHGP-UHFFFAOYSA-N 322.361 3.149 0 40 DGAB C[C@@H](C(=O)Nc1ccc(Cc2ccncc2)cc1)n1cccn1 44695344 OMJIXWXETCVKHQ-AWEZNQCLSA-N 306.369 3.069 0 40 DGAB CC[C@@H](NS(=O)(=O)c1ccc(OC)c(C)c1)c1ccccc1 44839814 LIOIDESOZJTZIF-MRXNPFEDSA-N 319.426 3.433 0 40 DGAB Cc1cc(C(=O)c2ccccc2I)ccn1 45038489 AUPINVBCUPGVDW-UHFFFAOYSA-N 323.133 3.226 0 40 DGAB CCc1cc2c(N3CCC(CN(C)C)CC3)ncnc2s1 48365447 KFENUBHQATZZLB-UHFFFAOYSA-N 304.463 3.032 0 40 DGAB c1ccc(Cc2nnc([C@H]3CCN(Cc4cccnc4)C3)o2)cc1 49169853 RIQDUHPUKCGYDL-KRWDZBQOSA-N 320.396 3.045 0 40 DGAB biogenic,in-vitro Cc1c(C(=O)NC2CCCCC2)nnn1-c1ccc(Cl)cc1 51318073 XITUBRFTQAHRLJ-UHFFFAOYSA-N 318.808 3.292 0 40 DGAB CC(C)Oc1ccc(NC(=O)N2C[C@H](C)O[C@@H](C)C2)c(F)c1 52268029 RIBLLNUYFQTYDI-RYUDHWBXSA-N 310.369 3.254 0 40 DGAB CSc1ccccc1NC(=O)NCc1ccccc1CO 58023547 GKFSNMAYFVXOMV-UHFFFAOYSA-N 302.399 3.223 0 40 DGAB CCCN(C)C(=O)c1cc2c(OCC)cc3c(c2[nH]1)O[C@H](C)C3 58420066 DBCKEXWPEDVVSB-LLVKDONJSA-N 316.401 3.372 0 40 DGAB FC(F)(Br)C(F)(Br)Br 63926133 NOOJDQGKJFRSGB-UHFFFAOYSA-N 320.728 3.387 0 40 DGAB CCc1noc(C)c1C(=O)N1C[C@@H](C)O[C@H](c2ccccc2)C1 65498394 ZLKMQSNZEDQVRS-WBMJQRKESA-N 314.385 3.148 0 40 DGAB Cc1cnccc1NC(=O)[C@@H](c1ccccc1)N1CCCCC1=O 66638831 ZJNBGYORLGIVPZ-GOSISDBHSA-N 323.396 3.082 0 40 DGAB CCC[C@H](NC(=O)c1cccs1)c1nnc2ccccn12 69325772 XVGZRLREEBOJKV-NSHDSACASA-N 300.387 3.062 0 40 DGAB Cc1noc([C@@H](C)N(C)CCc2ccc(Br)cc2)n1 69532731 PYJTXRHSJPOPDX-SNVBAGLBSA-N 324.222 3.376 0 40 DGAB CCN(Cc1noc(C)n1)[C@H]1CCN([C@@H](C)c2ccccc2)C1 69561595 GZOSKPZWDFGHEP-YOEHRIQHSA-N 314.433 3.035 0 40 DGAB Cc1cc(CN(C)C(=O)N[C@@H]2C[C@@H]2c2ccccc2Cl)no1 69619454 TWIZCLPMRDSWDL-UKRRQHHQSA-N 319.792 3.334 0 40 DGAB Cc1ccc(C)c(C(=O)NCC2CCN(c3ccncc3)CC2)c1 70928382 RVLKVMVYMVCHJF-UHFFFAOYSA-N 323.440 3.345 0 40 DGAB O=C(c1ccc(NC2CC2)nc1)N1CC[C@H](c2ccccc2)C1 71844386 UZRKKVKHNIATCS-INIZCTEOSA-N 307.397 3.286 0 40 DGAB COc1cc2c(cc1OC)[C@@H]1c3ccccc3NC(=O)N1CC2 72342071 PDOQPXQCXHZZGW-KRWDZBQOSA-N 310.353 3.197 0 40 DGAB CC[C@@H](NC(=O)C[C@@H]1CCCO1)c1nc(C(F)(F)F)cs1 73279910 DLICIMROMQUZLI-DTWKUNHWSA-N 322.352 3.298 0 40 DGAB Cc1ccc(C(=O)N(Cc2ccc(Cl)cc2)C2CC2)c(=O)[nH]1 75119522 IBBBDPIQWXDLQO-UHFFFAOYSA-N 316.788 3.142 0 40 DGAB C[C@@H]1CN(C(=O)c2cc(C3CC3)nc3ccccc23)C[C@H]1N(C)C 78896672 DROJLFJQKLIIQH-BFUOFWGJSA-N 323.440 3.134 0 40 DGAB O=C(Nc1cccc(OCCC2OCCCO2)c1)c1ccco1 79065272 MTHRFIOFAZDMIJ-UHFFFAOYSA-N 317.341 3.064 0 40 DGAB Cc1cccc(C)c1OC[C@H](NC(=O)[C@H]1CCCO1)C(C)(C)C 79094107 OMECADIBVGQLHL-CVEARBPZSA-N 319.445 3.392 0 40 DGAB CCC[C@@H]1CCCN(C(=O)c2csc(NC(C)=O)n2)CC1 79321135 AXKHUWSLCJYLIW-GFCCVEGCSA-N 309.435 3.144 0 40 DGAB Cc1ccc(NC(=O)C2CCN(C(=O)C(C)C)CC2)c(C)c1 80324533 CSKQVQWMBFJELX-UHFFFAOYSA-N 302.418 3.137 0 40 DGAB Cc1ccc(CNCc2cccnc2)c(OC[C@H]2CCOC2)c1 84146320 FIHCTHZGEVFQGS-KRWDZBQOSA-N 312.413 3.095 0 40 DGAB CCOc1ccc(NC(=O)c2cc3ccccn3c2)cc1CO 89267791 WEGATICTWIINRT-UHFFFAOYSA-N 310.353 3.083 0 40 DGAB CCOc1ccccc1C(=O)N1CCC(N2CCC[C@H]2C)CC1 89270043 JDYYSJSNPIQDEQ-OAHLLOKOSA-N 316.445 3.174 0 40 DGAB CCSc1cccc(NC(=O)NC[C@](C)(O)c2ccco2)c1 95403948 QXEDPJIWLXPHFA-INIZCTEOSA-N 320.414 3.421 0 40 DGAB Cc1ccc2[nH]cc(C(=O)N[C@H]3CCCc4c3cnn4C)c2c1 95468485 FIRDNJVRPYMGCI-INIZCTEOSA-N 308.385 3.017 0 40 DGAB CCn1nccc1/C=C/C(=O)N[C@]1(C)CCCc2ccccc21 95973410 JFVWVSLMKUHCPD-GNISGLHKSA-N 309.413 3.284 0 40 DGAB Cc1ccc2cc(C(=O)N[C@H](C)C[C@@H](O)c3ccco3)ccc2n1 95976796 MRPCLXUKFJWUIT-CXAGYDPISA-N 324.380 3.378 0 40 DGAB Fc1ccc(-c2ncnc3c2CCN(Cc2ccco2)CC3)cc1 96058696 SLCSMOPOOVVPNY-UHFFFAOYSA-N 323.371 3.477 0 40 DGAB COc1cc2c(cc1OC)CC(=O)N(Cc1ccccc1)C=C2 96114621 JGYKASXIOWTRHT-UHFFFAOYSA-N 309.365 3.259 0 40 DGAB biogenic O=[S@@](Cc1ccccc1)Cc1cc(F)cc2c1OCOC2 96404541 PARMUJPZTPZMEJ-OAQYLSRUSA-N 306.358 3.141 0 40 DGAB CCCCOc1ccc(NC(=O)[C@@H]2CC(=O)N(C(C)C)C2)cc1 96590764 UBFOFWFPRQTXCO-CQSZACIVSA-N 318.417 3.061 0 40 DGAB CN(C)CC(=O)Nc1ccc(Oc2ccc(Cl)cn2)cc1 97101912 SYURXKVLLJBORY-UHFFFAOYSA-N 305.765 3.027 0 40 DGAB CCc1ccc(CN[C@H](c2ccccc2)c2nnc(C)n2C)o1 97228008 CMGVCOHKKKHNBZ-QGZVFWFLSA-N 310.401 3.158 0 40 DGAB CC(=O)Nc1nc(CNc2cc(F)ccc2C(C)=O)cs1 97371498 NYQYDJJHDICIQH-UHFFFAOYSA-N 307.350 3.055 0 40 DGAB CCc1nc([C@@H](C)NCc2cccc(C(=O)N(C)C)c2)cs1 97374514 LWCHEVMDURLRPZ-GFCCVEGCSA-N 317.458 3.258 0 40 DGAB CCN(C(=O)N1CCC(Nc2ccccc2OC)CC1)C(C)C 97377834 HMNURTBUVDULDK-UHFFFAOYSA-N 319.449 3.422 0 40 DGAB CC1(C)OC(=O)C2=C1NC(=O)C[C@@H]2c1cccc2ccccc12 101709472 MBPFLLCGZOHNRQ-CQSZACIVSA-N 307.349 3.033 0 40 DGAB CNC(=O)c1cc(NC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl 106130747 QRQIGQPNGHMQRW-NHCYSSNCSA-N 306.793 3.074 0 40 DGAB COc1ccc(C(=O)NC[C@H](OC)c2ccccc2Cl)cc1 121855840 SHYADNQZDOZVSQ-INIZCTEOSA-N 319.788 3.466 0 40 DGAB CSc1ccc(S(=O)(=O)NC[C@H](C)c2ccccc2)cc1 145025047 DLMXYBLNMKAIOY-ZDUSSCGKSA-N 321.467 3.491 0 40 DGAB COc1ncncc1NC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1 162888415 JFRQFSBGEATYFL-YPMHNXCESA-N 316.361 3.083 0 40 DGAB O=C(NC[C@@](O)(c1ccsc1)c1ccco1)c1ccsc1 240178573 ZANAUTOKVZITBX-OAHLLOKOSA-N 319.407 3.069 0 40 DGAB CC[C@@H]1C[C@H](C(=O)N[C@H]2CCCN(C3CCCCC3)C2)CCO1 253369457 CUSBMZJTBYLZKV-SOLBZPMBSA-N 322.493 3.105 0 40 DGAB CNc1cc([C@@H]2CCCN(Cc3ccnn3C(C)C)C2)ccn1 257329115 XINMLWWGURRGPB-MRXNPFEDSA-N 313.449 3.280 0 40 DGAB CCn1cccc1[C@@H]1[C@@H](c2ccccn2)N=C2S[C@H](C)CN21 260762746 HHTDPHPXFZFVJR-DAXOMENPSA-N 312.442 3.492 0 40 DGAB Cc1nc2c(s1)[C@H](N(C)Cc1occc1C(=O)O)CCC2 566359767 XUSQAYJCMUZRNN-GFCCVEGCSA-N 306.387 3.252 0 40 DGAB C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)c1cnc(O)c2ccccc12 583666354 UUBRHKFNAVFXIW-APPDUMDISA-N 320.348 3.192 0 40 DGAB C[C@@H](Cc1ccc2c(c1)CCO2)Nc1ncnc2ncccc12 1775971585 QZYYATCNKJYOFZ-LBPRGKRZSA-N 306.369 3.003 0 40 DGAB Cc1cncc(C(=O)NC(c2ccccc2)c2ccccc2)n1 1889260063 ZEEMBFBPSAVVFW-UHFFFAOYSA-N 303.365 3.304 0 40 DGAB